96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.023385251272292188 0.012989304150255643 -0.0058635520753692934 0.012989304150255643 -0.017117246266086572 -0.004734116901676363 -0.0058635520753692934 -0.004734116901676363 -0.029632572635028182" pbc="T T T" energy=-927.02253777 free_energy=-927.02299033 config_type=crystal 
Hf      10.05441919      10.33504491      10.13805658       1.87018970       0.50762520       1.21925264 
Hf       5.40509724       2.33427617       2.43441154      -5.71734312       4.13530369       3.29376307 
Hf       0.06097524       2.46220286       7.39830172       0.31562149       3.98122084       0.50982436 
Hf      10.24395883      10.44126219       5.41280989       2.62347870      -3.01466151      -1.89742924 
Hf       7.59819306       5.40397369       8.05302522      -5.62525632      -3.16465706       0.11012857 
Hf       7.83876233       7.63802626       5.09229978      -1.44988775       2.40064036      -0.72209857 
Hf       7.76382904       2.64465708      10.14265365       0.81616620       0.59196897      -0.12905585 
Hf       7.99239693      10.25476758       2.46083178      -4.16950642       1.91566620       0.60226480 
Hf       2.68910651       2.26849317       4.88256697       0.21396760      -1.41063221       2.22262391 
Hf       4.76223854       2.65906245       7.45448784       0.59656465       0.39983926       1.87120056 
Hf       5.27022801      10.04762233       4.96483706      -4.12264616       0.69456832      -2.67124730 
Hf       2.69601850       2.88124742      10.25153845      -0.52794795       2.83675200      -1.74192329 
Hf       2.48702648       0.22345316       2.16886604       3.29202052      -4.34749597       2.61573053 
Hf      10.32105275       2.34465424       2.76905656       0.88263928       0.65128566       3.09735370 
Hf       2.61655931      10.19867336       8.06472601      -2.07958325      -2.83704571      -5.28404177 
Hf       7.51812066      10.26188334       7.70412712       2.87694657      -2.99909531      -0.41428074 
Hf       2.29844367       5.38135016       7.18389240      -0.25444011       0.41964964       1.50885927 
Hf       5.25769128       5.20930750       5.00019712       3.34531123      -2.92217329       5.48630075 
Hf      10.00452221       4.98748791       4.92595963       2.18209567       3.39164667       3.32531611 
Hf       2.37767981       8.04992199       5.08461696      -3.65831307      -1.66786204      -0.67158097 
Hf       5.24741044       4.91363944       0.01807858      -3.32839691      -2.07883105       0.22379106 
Hf       4.84697017       7.65793674       2.23870145       0.74903959       0.38504881       2.33360839 
Hf       4.91036038       7.92145368       7.78250901      -0.54039359      -2.80870523       0.60447870 
Hf       7.31653819       8.03088167       0.20155421       3.13116739      -4.66587070       0.96772065 
Hf       7.60065596       5.07683723       2.32164462      -0.53825634       2.45863015      -0.30393050 
Hf       2.89943202       4.96523854       3.04822497      -2.15702692       2.04932646      -3.34916008 
Hf       0.16157447       7.62471629       2.40747677      -0.43647460      -3.02635739       2.63030586 
Hf      10.38948003       4.94609838      10.14929048       4.45110628      -0.00831953       0.26565335 
Hf       7.61412690       2.44701588       5.51226673       0.37663185       2.64693172       1.57021360 
Hf       9.94461347       7.42486368       7.87362660       2.33739289       0.68009420      -2.65718294 
Hf       5.49059500       0.05902225      10.22469788      -3.66885445       1.11079882       2.96835016 
Hf       2.24452672       7.55383835       0.00980045       1.67497538      -2.20719339       0.79912128 
O       0.70471206       8.62945642       0.92026010      -0.46693697       1.35086677      -1.54913023 
O       1.38329567       6.28301654       4.23384133       0.57668078      -1.70441516      -5.39399760 
O       4.03020561       1.25333907       6.16723441       1.25774779      -0.36948018       0.65091469 
O       1.13194214       0.81438570       3.99217437       0.37880914       2.02559024      -3.72469606 
O       1.16786412       3.71475319       0.74336154      -2.12600876      -0.85420168       1.49923826 
O       2.64598975       1.54937658       8.11119416      -1.97042737       4.18482727       2.48908745 
O       3.88607421       3.74260971       4.15085986       1.47396506      -0.06981766      -0.67546350 
O       3.92334613       3.66414576       1.39210016      -0.20800688      -1.78413960       0.05392157 
O       3.92713144       1.15951304       3.70391303      -1.57395994       0.88411180      -1.29191192 
O       1.53655140       3.41250399       3.61256843      -2.37194364       0.09643018      -1.94749832 
O       1.36587134       0.64267492       0.66362710      -0.01620859       1.59671280      -0.43079733 
O       3.80956231       6.04023628       1.39989465      -1.75793669       1.65550855      -1.06013118 
O       4.28084472       0.83548346       1.32102524      -1.35300616      -0.48073484      -0.27200858 
O       9.09170274       1.56668485       4.30250170       0.75993536       1.15245952      -1.80870149 
O       1.19702411       9.28738687       6.60667948      -1.12747987       0.84951276      -1.09571945 
O       6.18387305       1.40605411       4.84987967       0.05041996      -1.76031267      -2.55178588 
O       6.41881611       8.88551556       9.07148193       0.76643254       0.64979739      -1.08062550 
O       1.21524524       1.43845192       6.27486410       0.05022095       0.09655780      -1.94810256 
O       3.62467019       4.63028288       9.13362981      -1.79811551      -2.01612008       0.70972995 
O       1.77303896       8.97436847       9.30821921      -2.96140343       4.20753271      -0.78268652 
O       8.76587852       4.67814712       0.57472113      -1.32295138      -1.27514459       2.84694664 
O       3.55844740       9.11767744       6.06962611       4.24401218       1.40631699       3.69256221 
O       9.13110955       8.98254739       8.81195994       0.63828073       2.75376629       2.34630525 
O       1.31392821       6.16256282       1.25002788      -2.52642989       0.84614596       1.53358412 
O       1.51307279       8.95210435       3.32596118      -0.81667331      -0.96740858       0.24274025 
O       4.52400344       6.09331740       3.64667150      -2.65979310       3.70285712      -3.76749777 
O       3.63367761       8.76198237       1.22128361      -2.67210508       0.49304873      -2.34105796 
O       4.12207823       9.08592916       3.63041299      -2.15508776      -0.94069551       0.16484310 
O       0.90497181       4.13043852       8.59696044      -0.05244988      -1.92780435      -0.68957459 
O       6.78571283       3.53915474       1.09377515      -2.61897088       0.47717444       0.85498124 
O       6.92366122       1.53710936       7.29147845      -0.91435301      -0.05297770      -0.19202575 
O       6.09177949       3.83519068       9.01650529       0.84414304      -1.74428631       0.66492018 
O       3.75209680       3.89275227       6.38354429      -1.13946759       0.46107686       1.50075432 
O       1.05563485       4.26496656       6.04063159       0.50923965      -1.21100804       0.06003022 
O       8.42819778       3.68886347       8.78610655       2.50963976       2.87467300      -1.75995511 
O       9.14985682       3.62514190       6.42447058       0.16604782      -1.90679799      -1.89923900 
O       6.39685729       3.81216054       6.59705623      -0.10904900       0.08200198      -2.47445134 
O       7.30745730       0.69853209       9.72705278       0.09557695      -0.44913966      -0.77088310 
O       6.60227185       1.18310710       1.84818795       5.13358554      -3.94519720      -1.50427757 
O       9.79420067       1.70961107       9.07590652       0.31779755      -3.03995073       2.95436647 
O       6.19429226       9.17140222       1.32585037      -0.19592945       0.54125567      -1.39926904 
O       8.88577104       8.79196406       6.45693558       0.05993674      -0.04794275       0.91015656 
O       0.85479235       6.53427797       9.24591811      -2.68807743       0.78944498      -1.33057087 
O       8.34088204       6.66389464       9.40596902       1.99666807      -0.48201373      -1.94452100 
O       8.40392164       7.20061875       1.90971602       1.44846234      -0.77816365      -0.87495522 
O       8.72617279       5.88641025       6.57025543       1.74699582       2.88588345       0.16941284 
O       6.17688697       9.16573268       6.41331979       1.85859040       0.01178721       2.45786008 
O       5.70137485       6.36187747       9.38111420       1.12005983       4.02316451      -2.54381881 
O       3.29618965       6.31491888       5.77009006       2.94969848       0.29848442       0.22132671 
O       6.12141663       6.14679832       1.32985327       2.59088225       2.24274215       0.82457547 
O       9.45293201       6.96647970       4.34474998       1.79664664      -0.68666024      -1.30553452 
O       9.42104841       1.42917416       1.35618560      -1.53239622      -0.89024923      -0.68455754 
O       8.72571751       9.65828377       4.03302855       2.06221545      -1.93935358       2.45621298 
O       8.81958206       9.41125948       1.04914173       0.94669712      -0.79073916      -3.58065307 
O       6.36856862       3.88465531       3.48833684      -0.89718270      -0.59338209       1.21189443 
O       7.01645895       6.25887939       4.12741264      -1.57396690      -4.41035436      -0.51520738 
O       6.34095617       8.49096672       3.62950411       2.31938932       2.17282625       2.15734706 
O       9.41646390       0.77388328       6.82920649      -4.21875588       1.32289508       2.51146019 
O       0.99735204       6.87215632       6.28737435      -1.97072131      -0.22728617       4.40158741 
O       8.80885023       4.13470339       3.60480524       3.27623228      -1.96437606      -0.62131465 
O       3.06558891       7.22365381       8.45361139       3.05876492      -0.03932782      -0.83874885 
O       4.30255864       9.72872141       8.83733650       1.27713341      -0.14597212      -0.11486614 
O       4.18115082       1.92066283       9.68047044       6.16767746      -2.06371801      -1.09318630 
O       6.06855468       6.43102368       6.74491768      -0.14771587       1.15960314      -0.15059290 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03432995897327227 0.007242867415082931 -0.007535858758175683 0.007242867415082931 -0.018635052435786986 0.0069611328896005825 -0.007535858758175683 0.0069611328896005825 -0.036404013441961716" pbc="T T T" energy=-928.2101366 free_energy=-928.21018743 config_type=crystal 
Hf      10.05908994      10.26604177      10.31731977       7.67978006       3.25601070       0.13583711 
Hf       5.43755460       2.33159284       2.27987066      -4.57114705      -1.25599159       3.24173885 
Hf       0.07004012       2.54808682       7.35678366      -0.43556455       2.35737323       4.17306587 
Hf      10.25485738      10.46180566       5.58611530      -3.21591848      -0.68936776      -1.67146398 
Hf       7.58416186       5.36119708       8.03874001      -2.00438832       0.32867984      -0.34214723 
Hf       7.96785997       7.66825191       5.14259511      -0.57008370       1.67057822      -2.77843462 
Hf       7.74759126       2.67938069      10.11386815       2.08800579      -2.74935818      -2.87007335 
Hf       7.93330665      10.25305144       2.57280851       2.05860636      -2.77109854       3.85493095 
Hf       2.64060646       2.22999221       5.01173725       4.08981360       2.38386514      -4.85011535 
Hf       4.78620865       2.65776705       7.63184116       0.66356923      -0.23712711       1.03485191 
Hf       5.21243553      10.05437910       5.00756082      -1.14346225       0.35448861      -1.36148772 
Hf       2.69236548       2.81184804      10.16639036      -1.11054767       0.35502745       2.52625485 
Hf       2.49396181       0.21217625       2.22941761       1.74653816      -3.77375292      -1.18825248 
Hf      10.40260548       2.28612736       2.68824378      -1.39098523       3.54516033      -0.19324633 
Hf       2.66410213      10.24626495       8.03810544      -1.58835210       1.23702383      -0.84628361 
Hf       7.47151488      10.23197921       7.75139331       5.49937310       1.05141172       2.46113404 
Hf       2.33762043       5.37453761       7.13752305       1.60713504      -0.71782220       2.98766576 
Hf       5.18764854       5.22145886       5.16259193      -0.93750408      -1.90497300       0.84615143 
Hf       9.95332166       4.93942324       4.90271755       3.04137852       3.08242493      -1.34835271 
Hf       2.40197814       8.13705656       5.06091897      -0.01470737      -1.16897229       2.53074299 
Hf       5.26501657       4.85144416      10.40086046      -4.22889646       1.78780244      -1.10012045 
Hf       4.81372983       7.61143814       2.29656676       0.66422522       4.00946445      -2.75867269 
Hf       4.96755524       7.78613587       7.75576913      -1.72913448       1.24629570       1.57983398 
Hf       7.35722178       8.10998500       0.15952927       2.16498192      -2.79319994      -0.36399353 
Hf       7.50067570       5.02446855       2.10249139       1.70958253       0.67321562       3.38769093 
Hf       2.83570752       5.08475009       2.95657894      -2.09383932      -1.46731836      -1.54264301 
Hf       0.05316474       7.62315180       2.37630801      -0.46139689       0.04495067       1.24696773 
Hf      10.39881641       4.92360337      10.09747829       0.06400613       2.36183342      -2.23999953 
Hf       7.65120289       2.34530461       5.36918090       0.45425620       0.32932376       1.47439743 
Hf       9.95095442       7.40490903       7.78245919      -1.98185132       5.75724457      -0.63349489 
Hf       5.48622285       0.03925306      10.31686941      -1.58857371      -0.33078931       0.26044565 
Hf       2.17703773       7.62150149       0.09971494       0.22813005       1.03523328      -2.43070192 
O       0.87104845       9.04941971       1.15739102      -0.38174038      -1.20359378       1.05218894 
O       1.21371037       6.17794238       3.86834499       1.73426236       0.70391938      -0.51675533 
O       4.33581237       1.34799810       6.23427178      -1.30323494      -0.18025574       1.38444035 
O       1.20992883       1.22740079       3.54384381       2.76393773      -3.63694883       1.88487128 
O       1.12303959       3.86671320       0.55045765       0.31619153      -1.69546327       1.87035725 
O       2.61231203       1.92227661       8.53495951       1.02230088      -4.34885231      -3.81540018 
O       3.71782921       3.73359633       4.07466739       1.07808225       1.90720352       0.76059904 
O       3.79312378       3.71018155       1.45822383       1.53560770      -0.46831261      -1.27029584 
O       3.88060447       1.09688905       3.86118203      -1.70367874       0.17825075      -0.98886670 
O       1.40825966       3.50839353       3.35876664      -0.07474696       1.97959764       0.34738966 
O       1.86160478       0.91956714       0.48789991      -0.37971072       2.18888517       1.44798805 
O       3.57710979       6.35004847       1.28264380      -1.11963402      -0.99342637      -1.12406088 
O       4.22389583       0.44597253       1.38004540       1.33955391       3.45963307       1.97610005 
O       9.35803655       1.46861718       4.18466045      -2.21312722      -0.33831020       0.57116819 
O       0.95452581       9.21933679       6.39237546       3.52709249      -0.98406162       0.23314284 
O       6.18356545       1.30305687       4.69513073       1.71065718      -1.25143024      -2.35294429 
O       6.39435200       9.15506699       9.16263353       2.19512628      -3.34684093      -0.72860601 
O       1.44969712       1.61894374       6.31998326      -2.96765408      -3.10065258       1.36123582 
O       3.52575392       4.31940074       8.97898951       3.68216139       0.58266406       2.15718559 
O       1.39693125       9.43202630       9.27705234       1.50211862      -0.16311309      -1.34440573 
O       8.38990802       4.50341558       0.26365038       1.80904631       1.10033512       2.17784596 
O       3.78764745       9.23545390       6.25112236      -2.18458581      -0.92406835      -0.51869137 
O       9.25723490       9.18225881       9.10836367      -3.34159419      -2.60669140      -3.97276992 
O       0.80716412       6.33771070       1.10186521      -0.24207757      -0.28933311       0.54850874 
O       1.57104078       8.97226539       3.60992771      -1.19698119       0.30202105      -1.39546904 
O       4.32556994       6.40130187       3.63956328      -2.10978804      -2.68843348       2.04341111 
O       3.41301966       8.85977143       0.93804615       0.04404490      -1.52189658       0.42531567 
O       4.25766199       9.14434500       3.42314434      -1.90626204      -0.32359480       2.19513710 
O       1.33199999       3.97201040       8.49179009      -3.79431347       0.57787533       0.68220086 
O       6.40613903       3.51233584       1.05863405       1.07883459       0.84914341      -0.76528916 
O       7.18011505       1.63703927       7.25534986      -2.79407123      -0.39384791      -0.83221168 
O       6.13620150       3.54707828       9.10351855       1.41708102       2.27364678      -0.69638619 
O       3.89234137       3.95824975       6.49912494      -0.67923113       0.31300447      -0.01604997 
O       1.10342289       4.36732463       6.01812696       0.59676325      -1.54320514      -1.29438785 
O       8.70261840       3.81550585       8.42938349       1.39420780      -0.47512187       0.93067884 
O       9.42712069       3.44830341       5.99007995      -1.83355801      -1.47549756      -0.14569379 
O       6.70381074       3.68184442       6.36505825      -2.26660000       3.84689138      -0.03299702 
O       7.39089479       0.76483923       9.59707524      -0.98964569       0.91925848       1.45270617 
O       6.80746683       0.96666326       1.75519754      -2.17448126       3.79909383      -1.23859990 
O       9.92020503       1.52037683       9.58137856      -0.00577135       4.84753656      -4.00168935 
O       5.97660168       9.15300023       1.26885877       2.93782810      -2.53418139       0.61170233 
O       8.84156673       8.98672947       6.55101720      -0.18875675      -1.32968362       0.89136388 
O       0.48050021       6.84578537       9.22563650       3.88884929      -2.70884309       3.31145461 
O       8.71676703       6.81816716       9.29097845      -4.27941471      -3.06803199      -1.38739998 
O       8.24444794       7.08484196       1.72770305       3.78500132      -0.12900038       0.10715490 
O       8.77833424       6.09824740       6.51512860      -0.40082218      -0.14024823       0.20655808 
O       6.28574257       9.26936439       6.69306520      -2.48992663      -2.14528813      -3.39867321 
O       5.80333751       6.64244228       9.35933226       1.31952768      -1.79921394       1.03796236 
O       3.57046574       6.57956868       5.96186800      -0.00502952      -0.39424528      -0.10043339 
O       6.28575397       6.33622429       1.35767745      -3.50190077      -1.26881649      -1.31006780 
O       9.43151492       6.99884151       3.91604804      -1.72643620      -2.12096647       3.03509219 
O       9.46408699       1.34868824       1.28797727      -1.87117851       0.10829424       1.75618961 
O       9.00803834       9.34715222       4.26872570       0.69037949       1.60825811      -1.63206775 
O       8.84250461       9.53532644       1.05071574      -4.70207280      -3.90527499       3.27824589 
O       6.17184844       3.78371969       3.49628759       1.22255269       0.01217079      -0.49660566 
O       6.60319215       6.14068302       4.38762446       4.31849618       1.06592706      -0.69556700 
O       6.59472028       8.63748986       3.92650483       0.42991777       1.67312589       0.16509449 
O       9.27234045       0.92133372       7.14942490       2.78053487      -0.13409094      -2.52046029 
O       0.92460106       6.69171977       6.81856048       1.69900286       0.14237034      -2.90062603 
O       9.05381331       4.03031802       3.32795436      -0.18072016       0.42546955      -0.80591603 
O       3.26264056       7.15471274       8.59592366      -0.66427610       0.31058298       0.58687209 
O       4.42041705       9.76446118       8.55061150      -1.61007137       1.08601098       1.51837074 
O       4.75552080       1.71605626       9.93424984      -1.44350797       4.08848025      -1.82941052 
O       5.90569935       6.31311911       6.93104460       2.18482681      -1.76055763      -1.20195240 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03941937414394706 0.0005569188180729195 0.0009730922045420475 0.0005569188180729195 -0.0184403364812849 -0.015443553032027867 0.0009730922045420475 -0.015443553032027867 -0.03159820891327289" pbc="T T T" energy=-930.65759619 free_energy=-930.65761713 config_type=crystal 
Hf      10.12170963      10.25359139      10.41948380      -0.77008217       2.95300588      -1.63611171 
Hf       5.41001771       2.32299685       2.22059963      -4.36626769       0.40931265       4.21100631 
Hf       0.07292147       2.62452807       7.37196447      -1.71689728       2.08145100       3.12233095 
Hf      10.24208077      10.46024662       5.67140112      -1.73046878      -0.67514113      -1.86369241 
Hf       7.55010359       5.33278940       8.02794904      -1.80634802      -1.25491864      -1.37885206 
Hf       8.03794856       7.70453226       5.14554186      -0.94346487      -0.05318288      -1.36740782 
Hf       7.76043716       2.67972765      10.06759278       3.28900282      -2.04300022       0.00607687 
Hf       7.90676908      10.23155753       2.68389592       0.04826856       2.30535587       1.71908760 
Hf       2.64388217       2.22240233       5.05407230       2.64378256       3.05884309      -3.04471180 
Hf       4.81192651       2.64692773       7.75511939       1.43640879       1.95367979       1.44828145 
Hf       5.16027712      10.05772232       5.01782335       0.64703935       1.66940181      -0.47112935 
Hf       2.68240542       2.78147973      10.12986521      -1.37339298       4.79592054       3.62430371 
Hf       2.52400378       0.16235316       2.26805453       0.52373840      -3.98341866      -2.83475920 
Hf      10.45010319       2.28465895       2.65879096      -2.30037155       2.05993798      -1.97729414 
Hf       2.67151524      10.28725017       7.99616623      -0.88399268       1.06471587      -0.22644348 
Hf       7.49406211      10.21013563       7.79664948       2.35457772       1.14651822       0.79266410 
Hf       2.37461018       5.36394027       7.14443535       0.95422640      -1.66018514       2.39082258 
Hf       5.14885829       5.20894621       5.27343632       1.26772714      -1.89343120      -1.52079910 
Hf       9.95578028       4.94486085       4.88549594       1.28578739      -0.52343458      -2.99176652 
Hf       2.40587178       8.17368879       5.06580449       1.48503700      -0.93895889       0.67793468 
Hf       5.23232247       4.82721794      10.34452038      -2.82621942       1.73537963      -0.62999454 
Hf       4.80014847       7.61955666       2.31495263      -1.41097013       0.62489701      -2.56521064 
Hf       4.98460175       7.71188801       7.75462454       0.81529530       0.34417073       0.51732750 
Hf       7.40376434       8.12209031       0.13545994       3.48944561      -7.43929398      -2.25649953 
Hf       7.45639028       5.00573457       2.00447061       1.22029872       1.16651225       5.44682233 
Hf       2.77009355       5.15603706       2.87612160      -0.38668308      -5.45177495      -2.50192115 
Hf      10.44582859       7.60764874       2.38706098      -2.06349803       1.46022453       3.03773820 
Hf      10.41751794       4.93213259      10.04453826      -0.17344945      -0.45092125       0.08838622 
Hf       7.67256493       2.29280898       5.30218404      -1.84866315       3.06887189       1.83693168 
Hf       9.94606461       7.44136113       7.72477923      -2.48311995       4.26815314       4.36830193 
Hf       5.45993866       0.03492477      10.37630644      -0.89222997       0.89254476       0.08010135 
Hf       2.13845231       7.66420861       0.12704177      -4.52797224      -3.24404448      -5.16053270 
O       0.97448538       9.33940640       1.21184048      -1.80842472      -1.99611087       1.21397612 
O       1.27565855       6.16141133       3.50386418      -1.37373695       2.71872963       2.26710377 
O       4.39381762       1.37309783       6.44003958      -1.76327692      -1.47025374      -2.49504530 
O       1.44684142       1.22708387       3.37375361      -2.39072243       0.76232665       3.15738475 
O       1.10542707       3.75184143       0.66048211      -0.99287883       1.27091791      -0.62483209 
O       2.65574927       1.84706043       8.51803912       1.69193627      -3.77822139      -4.72948970 
O       3.88792725       3.77609213       4.23205946      -2.62813891       0.75575634      -1.28774736 
O       3.85890416       3.64032930       1.36197644      -0.10932018       0.80555111      -0.32163195 
O       3.66169772       1.12722230       3.79044893       1.56428428      -0.35724646       2.51547131 
O       1.21135893       3.71026298       3.19252540       1.72534665       0.43627228       1.88032531 
O       2.03947000       1.29352080       0.44463484      -1.68675852      -5.21145124       4.67810924 
O       3.31932937       6.45453924       1.09020408       1.55163508      -2.61725215       2.43578258 
O       4.26393993       0.56267118       1.66310388       3.69822042       0.84208526      -2.68682928 
O       9.30248981       1.42901130       4.11781084      -0.58061060      -1.95165376      -0.01919461 
O       1.08480290       9.13461803       6.25249448       1.17699000      -0.10378263       1.30317095 
O       6.45547230       1.18504607       4.34090271      -1.61731599      -3.25826462      -1.74845441 
O       6.59743155       8.94302252       9.07773570      -1.72495583       2.00074909      -0.88762623 
O       1.33274623       1.44507200       6.36473244       0.14634913      -2.12268423      -1.06515259 
O       3.79208595       4.14108223       9.12050321       1.65457752       2.20211398      -1.47752075 
O       1.19370643       9.67525137       9.24333443       2.83668119      -0.52925050      -2.46689142 
O       8.26197736       4.44894781       0.36824163       3.81769939       1.41591418      -1.12267962 
O       3.83017371       9.26733551       6.39287260      -3.20145691      -0.44423976      -1.97272099 
O       9.08507344       9.16154819       9.02802292       0.08542872       0.43619717       1.48008436 
O       0.44516506       6.41952446       1.10453943       2.14805850      -1.79511057      -0.95933591 
O       1.48141839       8.98649764       3.64881414      -0.15027207      -0.09597940      -0.93653085 
O       3.96027873       6.46411686       3.68400758       1.33044654       0.36957188       0.17496009 
O       3.26756711       8.80132377       0.79210891       6.57751752       5.42928370       3.40064621 
O       4.08391815       9.11846272       3.49850768       0.23662393      -0.70372450       1.74661985 
O       1.21812941       3.88787492       8.52067942       0.25812848       2.55651196       0.24720508 
O       6.22013760       3.58242693       1.01957544       2.99624292       1.30020259      -0.95944826 
O       7.04779329       1.73571712       7.11813934      -1.55900122      -2.36855895       0.59312820 
O       6.32654484       3.56341455       9.09523100       0.48362556       4.00702875      -3.05845634 
O       3.81286408       4.14311885       6.48245668      -0.04405248      -2.23973885       2.81285405 
O       1.16024578       4.19575211       5.84094414       0.89641760       0.68744598       1.02010978 
O       9.01493881       3.88247446       8.28206346      -0.35987398       0.52259637       1.21026530 
O       9.41488005       3.18163008       5.67803711       1.10454977       2.29512527       1.02449130 
O       6.69829086       3.93219540       6.16314244      -0.66474038      -0.11707206       0.23746734 
O       7.36261847       0.88984522       9.66665192      -1.24782615      -4.29581320      -1.66828291 
O       6.78330299       1.17990674       1.56947095       1.37658998      -2.07216752       0.06925008 
O      10.00730957       1.75532146       9.58447352      -0.29121276       0.48221745      -1.84772836 
O       6.13720845       8.91390419       1.24770333      -2.75220621       2.17192669       2.58454974 
O       8.81389002       8.97455268       6.73297397       0.52366323      -0.55418059      -2.20234914 
O       0.49141907       6.81130144       9.41541581       1.14046979      -0.77766779      -1.98841540 
O       8.59903578       6.61234044       9.02057758      -0.22118268      -0.29741737       0.51107793 
O       8.51873585       6.99695592       1.59647019      -0.37437126      -1.93166031       0.28689350 
O       8.79807789       6.27345692       6.52137451       0.09536276      -1.65053148      -1.01785830 
O       6.18659866       9.14659523       6.63497705       0.72044570       0.23315897      -1.24102879 
O       6.01152530       6.73804704       9.36659894      -0.33211177      -3.24380602      -0.07369889 
O       3.85915389       6.71799369       6.02297155      -2.44912717       0.02376724       1.31564913 
O       6.09518928       6.34647918       1.25167860      -0.78891914      -1.16374474       1.28180688 
O       9.30120341       6.80213106       3.91938791       0.52488201      -1.42402653       1.80107009 
O       9.24620562       1.22460296       1.27795107       0.83540654      -0.14275585       2.41609043 
O       9.24902270       9.29138506       4.25597672       0.07830251       0.61469050      -1.11705158 
O       8.55516388       9.24300777       1.17374969       3.29101824       2.56579867       1.05137787 
O       6.15765679       3.71362410       3.47791993       2.04463151       0.21217283      -0.80398491 
O       6.68960800       6.00258266       4.47458508       2.59338247       3.30006951      -1.83570162 
O       6.85783887       8.94181597       4.14898400      -2.51648298       1.22050847      -1.99798106 
O       9.35435726       1.01106475       7.13601215      -0.34928498      -1.69883510      -1.22352548 
O       0.94845929       6.65787406       6.95165255       2.95569453      -0.97998538      -3.90049244 
O       9.20855713       3.94979840       3.05042883      -1.47949767       1.67376674       0.93909763 
O       3.39401524       7.15747069       8.73018847      -2.24458089      -0.22399430       0.43006774 
O       4.48786794       9.84856149       8.56688843      -1.08900588       0.90914039       2.54820958 
O       5.07666129       1.89943654       9.90066443      -2.67143419      -0.99096574      -0.74159333 
O       5.99756716       6.12590119       6.94771663       0.53374475       0.98286893       0.89556800 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017164734788270856 0.013975774436665653 -0.007750076414047248 0.013975774436665653 -0.019824703654794464 -0.0004938636038796454 -0.007750076414047248 -0.0004938636038796454 -0.012915544610598278" pbc="T T T" energy=-929.67899058 free_energy=-929.6795909 config_type=crystal 
Hf       0.15137181      10.14304906      10.14765576       2.77231986       0.76195659      -0.55456262 
Hf       5.20021321       2.23338242       2.68700909      -2.93284532      -1.98856602      -1.27042570 
Hf      10.23521861       2.56397901       7.33602228       0.74497598      -2.67551534       2.25718295 
Hf       9.98913145      10.13883903       5.13041936       0.99948301      -1.87549479       1.98780250 
Hf       8.03240199       5.21585139       7.52310937      -1.25973450      -1.08939057      -1.08943262 
Hf       7.48104697       7.82450370       5.59217837       3.88713867       1.34036321      -3.35124933 
Hf       7.99917254       2.22726691       0.01070117       3.16203854       0.74743405       3.68830782 
Hf       7.93579154       9.91032557       2.41067985       0.32293825       2.29876642       0.19177834 
Hf       2.29313385       2.90977326       4.67825733       2.78472496      -3.04245639       4.90577292 
Hf       5.56935284       3.07105677       7.99186682      -2.84738377      -0.96795495       0.65371313 
Hf       4.78547496      10.39391163       5.59452719       1.01010471       0.89673068      -3.52815948 
Hf       2.36825113       2.70280928      10.05233286      -3.63059332       0.26792889       3.44633964 
Hf       2.40734814       0.26172272       2.55814285       3.65093050      -4.68774124      -1.22223915 
Hf      10.22852558       2.34555632       2.76125024      -3.46842643       0.86877474      -4.03381029 
Hf       2.72107824      10.42795169       7.89099264      -3.04651625       3.55077628       1.03198418 
Hf       8.12159118      10.45454191       7.96244288      -0.30170206      -0.05402664      -1.00577661 
Hf       2.61708221       4.89065148       7.85797011      -2.67378826       1.74240360      -1.15432373 
Hf       4.88457460       5.15916258       5.55455238      -0.97389906      -0.12066977      -1.37907106 
Hf       0.08470369       5.10663031       5.03890311      -1.79879577       4.85335664      -0.84904704 
Hf       2.13710332       7.84591482       4.68602461      -3.93090744       2.43780385       1.88790650 
Hf       5.03547711       4.83995038       0.00008478      -0.51096986       1.99650862       0.55480184 
Hf       4.77783307       7.71993977       3.00790895       1.23471416       0.57157254      -0.09835914 
Hf       4.80155555       7.92748587       7.79233018       0.43655433      -0.87725011       2.98570000 
Hf       7.43206181       7.62222397      10.34283720      -1.64090020       1.46439425      -0.07650959 
Hf       7.43048382       5.08921696       2.42061918       4.42919592      -0.79214292       2.59891964 
Hf       1.95307414       5.15658203       2.12904184       0.82721480      -0.00917516       0.53981743 
Hf      10.34930982       7.79143407       1.87419667       1.90112395      -1.71139180       3.42403369 
Hf       9.98165377       5.08054121       9.95575694       2.34860047      -5.01414242       4.74181465 
Hf       7.81135543       2.64604930       4.94252951      -1.67900516      -0.28292338       0.28058458 
Hf       0.16358315       7.47315431       7.77961678      -0.01694132       0.65027350      -1.78813420 
Hf       5.23191052       0.35482898      10.20081275      -1.04998096      -0.50283321       1.46378775 
Hf       2.98267610       7.78347347       0.12976078      -1.23412590      -1.95964831      -1.21312869 
O       1.24243528       9.17359185       0.96076859       1.19549476      -3.27600066       2.15537035 
O       1.32584848       6.65922274       0.95718412      -0.93118392       1.52787313      -0.28560645 
O       2.04698348       1.07322571       6.34002227       1.91948910      -0.44121419       0.25320490 
O       1.51982443       1.63381736       3.35625371      -3.83500888       1.90661424       2.52108109 
O       3.89859189       3.25890905       1.06684729      -0.51788442       1.74328885       0.65462764 
O       1.27486448       1.07384489       9.16427432      -0.03215118      -1.48604374      -2.24096505 
O       3.56990988       4.09699127       4.03074703       1.83343253       3.11055815      -1.60704128 
O       6.34332781       3.24912828       0.29143437      -1.68415014       3.05458939       1.13396652 
O       3.73271308       1.62237163       4.03578734       1.85757211      -2.32346529       0.27158159 
O       1.02661857       3.90478851       3.53170029      -2.25192610       1.32238649       0.19054840 
O       1.62349612       0.94584452       0.99518962      -1.27322403       3.22453644      -2.15954720 
O       3.71244947       6.67614125       4.60220291       1.87285157      -0.11375270      -0.61507147 
O       4.27648273       0.76228966       1.54887452       0.97768802      -1.29993759      -1.41895277 
O       9.26047680       1.37589220       4.37638051       0.92042033       1.24782788      -1.81542874 
O       0.65652526       8.77196702       5.93440626       2.05081654      -3.41761506       1.80105720 
O       6.32516811       1.10943887       4.36785600      -0.05998507      -0.94095702       1.37781306 
O       7.04609514       9.60579243       9.77072415      -2.23493231       0.76072907       0.60259012 
O      10.16498308       0.26014399       7.10466641       0.82297579       1.51583186       0.60670183 
O       3.89796339       3.88781746       9.03298317       1.44289764      -2.76523204      -0.76241849 
O       1.42831478       8.42391825       9.02321402       0.72442449       2.01454098      -0.16418382 
O       1.05219137       4.14821160       0.75534293       2.63958580      -0.40168957      -0.24108769 
O       3.44117133       8.90806604       6.70880699      -0.20996419       0.93274253      -1.45529083 
O       9.01725770       8.81052325       8.42843662       2.42149659      -2.42187360       1.50782075 
O       0.87624293       5.71044653       8.73728057      -2.63559074       3.59465575      -0.41121362 
O       1.12001800       9.31312284       3.56609767      -2.09421830      -0.23690818      -0.96707365 
O       4.19567770       6.12521879       7.24181403       0.45830032      -1.16569543      -2.86735161 
O       4.13479654       8.67010651       1.40494470      -1.27117888      -0.21741081       0.22780271 
O       3.36285610       9.40403319       3.88149849       3.35338884      -2.42971307       1.75076112 
O       1.05182830       3.55417290       8.67821290       1.31695055      -1.83155182       0.61589438 
O       9.47812384       3.36267650       0.99495570      -2.60114423      -1.38864289      -0.83990538 
O       5.04582263       0.94194513       7.26320610      -1.05654192       0.25901917      -0.39993136 
O       6.38060119       5.08512646       8.70605425      -0.83902301      -2.07001819      -0.11263439 
O       3.83089253       3.65739758       6.40817356       0.62878042       0.37679524       1.32516562 
O       1.00689836       3.59428733       6.22181020       2.54182497      -0.02442100      -2.12593909 
O       8.83179214       3.59594905       8.89534123       0.61673118       1.31521122      -1.22677619 
O       9.28241291       4.04973460       6.11268834      -3.61807295      -0.70089566       1.07253820 
O       6.62820867       3.76459323       6.62139768       0.90748963      -0.18210335      -3.62354266 
O       6.68877719       1.87759389       9.04312000      -0.57815374      -3.88300789      -1.71413120 
O       6.86808193       1.43625360       1.76703157       1.55125218      -2.79575767      -1.27329670 
O       9.22641864       0.81517359       9.55429025      -3.51919351       2.49961149      -0.98531895 
O       6.47088441       8.81715442       1.78910060       1.23020224      -1.40381686       0.02095038 
O       8.28349712       9.53905837       6.14400039       0.55313775       0.71721040      -1.18455612 
O       1.37877239       6.19495540       6.47195385       0.57525547       0.48137149      -2.22178537 
O       9.21615799       6.64847636       6.53665778      -1.12651449      -0.14814280       1.94072669 
O       8.68560936       6.30668564       9.22685780      -1.27812361       2.03919222      -0.56837216 
O       9.02177837       6.31666726       4.16817859      -1.56615276      -1.59209631       0.11283883 
O       6.28590144       9.02078418       7.34677703       0.74304180      -0.46398175      -0.61980122 
O       5.21783358       7.11951481       9.62232160       1.57783561       0.92171113       1.09539433 
O       3.09053029       5.93504626       9.43119131       0.48411676       2.28693910       2.37331023 
O       6.69404525       5.79198147       0.82410806      -0.23628522       1.86172415      -2.63247332 
O       9.31691977       5.93207774       1.57177205      -0.39315379       1.98931588      -1.94969600 
O       9.50043726       0.69128414       1.73901942      -0.55057212      -0.37058248       0.23066465 
O       8.98564036       8.78759306       3.90679216      -2.13092613       1.43860659      -2.78356981 
O       9.11407288       8.87285397       0.71020221      -1.61238609      -1.59043611       1.19108311 
O       6.38771067       3.38722707       3.51998569       1.03908889       4.94494493       1.79769428 
O       6.23604706       6.34719748       3.15809725      -1.77783199       1.20344902       2.46189763 
O       5.86671579       8.72752147       4.90136416      -1.52634859      -0.03296866      -1.93163996 
O       8.50588545       1.75591479       6.74854150      -3.14197322       0.77485230      -0.14687846 
O       0.88827058       6.46617828       3.58944347       2.83848943       1.23421557      -0.73560820 
O       8.65336938       3.70065124       3.33390220       2.64701286      -1.82982902       2.05977165 
O       3.64940998       6.05719634       1.70043776       2.33389567       1.46486597      -0.48126153 
O       4.05136387       9.34772860       9.25685257      -0.16712090       0.25207865      -0.17431433 
O       3.56057068       1.41914283       9.47569422       5.13558421      -3.78903629      -2.29630956 
O       6.71795528       6.13676490       6.03472771      -1.91545565      -1.67155741       1.57248760 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01627581285450249 0.00677323251950925 0.008579623508135016 0.00677323251950925 -0.0389658082383123 0.004754440641005264 0.008579623508135016 0.004754440641005264 -0.032756278002480765" pbc="T T T" energy=-923.98178729 free_energy=-923.98274433 config_type=crystal 
Hf       0.18486344      10.20577959      10.12581782       0.31813680      -0.80093285      -0.65860687 
Hf       5.30556964       2.07252436       2.69989266      -0.00387688       0.69438997      -0.41073449 
Hf      10.13269286       2.58095634       7.41692664       0.84860753      -1.68566698      -1.37813418 
Hf       9.96058447      10.03489324       4.99879255       3.37640690       0.72009307       0.52951051 
Hf       8.00176763       5.16490632       7.45830099      -3.62358173       1.68913449       0.54030773 
Hf       7.52109997       7.89410299       5.58288145       0.42514356      -4.05436073      -4.64409560 
Hf       8.14138821       2.27332866       0.21048365      -8.21376868      -3.20499837      -1.93551090 
Hf       7.91895142       9.81693399       2.46868698      -5.81278448       4.76637504      -7.82513599 
Hf       2.37719303       2.92450914       4.78402456       4.27475165      -1.71071008       0.87697574 
Hf       5.53769028       2.95388379       8.01488880       1.48605965      -0.76906480      -2.48010578 
Hf       4.76142092      10.33368085       5.51684988      -0.57751437      -0.51301912      -2.92057138 
Hf       2.31404144       2.70374925      10.06706801       1.42976516       0.02252261       0.04872985 
Hf       2.55496458       0.29384819       2.49703479      -0.61160632      -3.40264672       2.38933793 
Hf      10.27361240       2.43138911       2.67934982      -0.99549458      -0.99841559      -2.27176367 
Hf       2.63992961      10.41554422       7.90720112       2.32689594      -0.49439500      -0.75777696 
Hf       8.09624027       0.05120410       7.99765944       0.37004304      -2.81211598      -0.55686862 
Hf       2.64649924       5.00050315       7.90743693       0.95059457       0.95055261      -2.72341126 
Hf       4.95730883       5.18997591       5.62574085      -0.00891019       0.59825291      -3.48552825 
Hf       0.02752014       5.19685848       5.02890590      -4.89320015       3.57699385       1.42298804 
Hf       1.99305963       7.87630731       4.79521617       4.41511579       0.07213542      -1.46187801 
Hf       4.81782138       4.92310612       0.09588871       4.13508075       2.20029710      -0.57822773 
Hf       4.74692219       7.77642438       3.00718972       2.02143374      -2.02201307       0.88638777 
Hf       4.88621821       8.06016861       7.92218527       1.24032134      -1.44939056       0.89289036 
Hf       7.54453630       7.66868658      10.42482533      -3.46749937       0.43724629       0.66275214 
Hf       7.52470589       4.95549148       2.46954898      -0.05386262       5.80003203      -1.00487730 
Hf       1.93108057       5.10822808       2.24667470       3.74023246       2.15731123       1.31778722 
Hf      10.36307852       7.75909141       1.76179837      -0.13075480       0.13514911       5.54874116 
Hf      10.02504925       5.06793960       9.88609988      -0.61351813      -0.98832397       3.86743689 
Hf       7.73661452       2.49574943       4.81758077      -0.95132891       1.61541370       1.05406720 
Hf       0.18658001       7.53196085       7.61889980      -1.18215082      13.73528861      -7.03048698 
Hf       5.30265523       0.33595026      10.16878126       2.63392637      -2.86101138       2.79800901 
Hf       2.90721239       7.65184123       0.08066583       0.51870218       1.57304904      -0.40627948 
O       1.50371674       8.72223311       0.88015425      -2.73051057       4.65762048       1.29478161 
O       0.96243732       6.51364847       0.86245737       0.48826682      -2.68212463      -0.71561773 
O       2.27328585       1.10483060       6.46801625       1.28094159       0.24462388      -3.41780768 
O       1.32715634       1.59984397       3.57572846       2.96937379      -1.41298768      -0.68495981 
O       3.77766259       3.33565759       1.27105259      -0.42393046       0.32048829      -0.57130222 
O       1.25607943       1.00518097       8.56423807      -2.57717054       3.33606432       4.78772484 
O       3.50225866       4.51686434       4.01759237      -1.26010551      -4.29877468      -0.64504972 
O       6.57856413       3.60643189       0.37641605      -0.43637396      -2.62421092       0.80919727 
O       3.97791647       1.44422727       4.06818023      -2.84437750      -0.00236635      -1.27358362 
O       0.86837109       3.97760908       3.81532678       2.97934596      -1.20234598      -3.21282905 
O       1.26464591       1.37420735       0.51436224       0.20107319      -1.77281843       2.70499629 
O       3.54607478       6.57618799       4.44470523       2.54007310       3.13304987       0.52004935 
O       4.21089461       0.58092988       1.47146546       0.19829280       1.58301255       1.53853107 
O       9.36900659       1.40579036       4.14560049      -1.28906643      -1.51792298       1.38289817 
O       0.53522776       8.44951806       5.77547785      -2.47538182       2.76785959       0.99780990 
O       6.15802332       1.04348841       4.47375992       3.64664865       1.42360095      -1.74237943 
O       6.91576123       9.71074121       9.72289655       1.51286194      -2.47130647      -1.27754588 
O      10.22885442       0.20259287       7.11927680      -1.56794048       1.95681486      -1.20016315 
O       4.01621628       3.74515970       8.90386721      -4.25797017       1.44630359       2.58988875 
O       1.62390461       8.72840691       8.98161673      -0.63267945       1.11419282      -1.56767110 
O       1.15409343       4.10818508       0.80888738      -0.12455484      -2.09470223      -0.85181794 
O       3.40168529       8.96812444       6.50075285       1.05653290      -0.62351821       2.18803334 
O       9.15659956       8.64697181       8.75391293       0.27988275       2.35814795       0.08027572 
O       0.24250175       6.34100975       8.73386461       2.37922068      -9.64727378       8.52568628 
O       1.00162549       9.26659346       3.38021262      -0.52363875       0.13837283      -0.27208969 
O       4.27810425       6.30621927       7.08494317      -1.88498861       0.64556100       1.27515075 
O       4.01576550       8.56527548       1.38419326      -0.63411281       1.84876584       0.22685556 
O       3.37549571       9.24054801       4.14217856       0.86373578       2.10988848      -2.77839638 
O       1.06571945       4.00857449       8.59362423      -0.70848141      -2.54589948       2.00161416 
O       9.30198806       3.33626902       0.95028334       4.05537297       3.88116702       2.95941488 
O       4.92099216       1.15630368       6.86720288       0.28699624       0.08003495       1.47899886 
O       6.02254485       5.02783793       8.67996630       0.98180706      -2.96680999      -1.55453648 
O       4.07418950       3.70721878       6.52808722      -1.61063540      -0.12957203      -0.00255481 
O       1.27140331       3.37807343       6.24700507      -2.78577458       1.45550168       1.46224216 
O       8.92637864       3.73924399       8.69845683       0.71180334      -1.30042659       1.06435578 
O       9.07643224       4.10085037       6.18206638       3.27034829      -1.21697579      -0.23741734 
O       6.71189870       3.64559798       6.45614256      -1.82966805      -0.48981021      -0.13183842 
O       6.60962101       1.29534432       8.86254550       0.03212114       3.34714453      -0.19649472 
O       6.89455901       1.15258504       1.64246213      -0.39694094       0.92553918       0.09142808 
O       9.11644881       1.04291737       9.51226134       1.94911421      -1.09492228      -1.44379949 
O       6.51846742       8.66963187       1.57959543       1.41208770       0.32633688       0.85114223 
O       8.50798392       9.49743942       6.06306547      -1.72487277       0.39367018       0.68311826 
O       1.31338376       6.27899877       6.43191372       1.90374197      -2.24758518      -0.59452247 
O       9.14319623       6.80735296       6.64988260      -2.26508848      -0.90625084       0.94883330 
O       8.40491990       6.25188608       9.34380827       0.93628534      -2.18302177      -0.71638048 
O       8.72690459       6.15222410       4.44708712       1.74394510      -0.71811303      -1.16858597 
O       6.43756558       8.86971725       6.94653762      -2.10281157       0.43856742       1.98172731 
O       5.45248149       7.20185627       9.76893003      -2.42044761       1.88979920      -2.91062286 
O       2.63224271       5.90791243       9.63300392       2.13210319      -1.47115675      -2.33207605 
O       6.55813631       5.85802675       0.60724149       0.26215292      -0.43062133       3.21254537 
O       8.88724070       6.20632368       1.73681733       2.53301035       1.75173927      -2.11098519 
O       9.61270818       0.48441687       1.87239324       0.24691275       1.98477039      -1.50777344 
O       8.77000022       8.85331515       3.59933068       4.56218200      -4.62008922       6.86149897 
O       9.08820012       8.90257955       0.82983360      -0.04185642      -0.10628892      -0.56861299 
O       6.39057328       3.77796632       3.49696831      -1.80716211      -3.92968624       1.43477102 
O       6.35575192       6.54479682       3.18529786      -0.57305416      -2.22514822       0.11738176 
O       5.96427522       8.68524242       4.37443076       0.36859154       1.81855147       1.49746453 
O       8.23445502       1.83408600       6.53623097       1.78746776      -2.50532958       2.93689888 
O       1.18637308       6.47769142       3.64988211      -2.19280908      -0.71628963      -2.05166605 
O       9.15312164       3.72056392       3.56348897      -4.01961057       0.68085297      -0.00447685 
O       3.52802153       6.26629553       1.43102333       0.42143282      -2.81126208       1.48829342 
O       4.18445479       9.47488926       9.20201209      -1.09853179      -1.31429554      -1.19548455 
O       3.94847934       1.41949156       9.51702126      -3.60531036       2.61286939      -1.97163983 
O       6.76133988       5.96085026       6.05477876      -0.57033592       2.69098919       0.54592138 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03604854763837533 -0.0162394005830696 -0.010502413299226692 -0.0162394005830696 -0.04892712169951544 -0.009068535186055314 -0.010502413299226692 -0.009068535186055314 -0.02006817872797661" pbc="T T T" energy=-925.44708022 free_energy=-925.44725318 config_type=crystal 
Hf       0.06285026       9.96584468      10.23107891      -1.47101397       0.88931186       0.32802970 
Hf       4.75610346       2.76936552       2.56355408       0.68915602      -0.35424467      -3.28134613 
Hf      10.35816642       2.42398197       7.23683892      -1.69969553       1.01725414       2.99282098 
Hf      10.25702964      10.17277213       5.50722747       1.13222607       1.41339621      -4.50666421 
Hf       7.96904893       5.25641137       7.61255205       0.61348321      -1.41801745       1.41983156 
Hf       7.60652310       7.69316660       5.30733937       3.95798705       3.26800338       2.05687064 
Hf       7.68573759       2.15070268      10.24081279       2.16040326       3.88793020       1.99680229 
Hf       7.92002609      10.20833167       2.16999576      -0.32802976      -4.39105165       0.28104608 
Hf       2.48906049       2.54743791       4.72752780      -4.57964649       1.50743460       0.43734283 
Hf       5.38370883       2.94251614       7.68524808       2.03661095       4.85695661       2.41654498 
Hf       4.96576384       0.14528174       5.29546379      -3.41807310       5.28545690       1.89357233 
Hf       2.49492784       2.48094332      10.40329081      -0.62594188      -0.31419483       1.42515115 
Hf       2.29380599      10.31727194       2.77420143      -1.08075628       4.15892181      -1.60715296 
Hf       9.86298527       2.25382312       2.55918968       4.46801615       4.85551086       4.86655290 
Hf       2.82007405       0.18372797       7.79249534       0.53869272      -0.40676769       4.36245065 
Hf       7.91694840      10.23098084       7.81828782       3.35581472       3.41828208       2.71173840 
Hf       2.44688494       4.68336337       7.59749883      -0.03064357       1.50365306       1.39840277 
Hf       4.71318230       4.93065466       4.94477890       2.13396723       0.65348793       2.80592536 
Hf      10.40981021       5.33876006       4.89507523       2.16174046      -2.73334784       0.04225695 
Hf       2.31871900       7.92545899       4.86825539       0.33054237      -3.27707571       2.57466898 
Hf       5.31920804       5.00569302      10.39346158      -1.47338741       1.79063155      -1.02584962 
Hf       5.03794232       7.73225472       2.96992052      -0.23902994       2.98420579      -1.74826130 
Hf       4.69654858       7.54103201       7.57501691       3.36952212       1.00886384       3.11506319 
Hf       7.21155949       7.81085483      10.12901106       3.90401719      -2.51640023       2.89662089 
Hf       7.50796384       5.34503674       2.78592169       0.88173459       0.22879834      -2.89047237 
Hf       2.39203766       5.35240139       1.79185447      -0.19509355      -0.00115253       1.98225689 
Hf      10.36521436       7.79319333       2.54644802      -1.99727220       2.20245476      -3.61171708 
Hf       9.98980443       4.71597322      10.45395570      -0.38837282       1.62802550      -0.30456330 
Hf       7.65156816       2.90411303       5.25947639      -1.18955761      -1.52084043      -2.71656147 
Hf       0.13312242       7.50923946       8.08235204      -0.32950503      -1.67822283      -0.91177418 
Hf       5.03970660       0.23394961      10.36391404       3.08571637      -3.34379077       2.25287033 
Hf       3.13214599       7.94217288       0.01268608       2.09373845      -2.59226096      -1.84661646 
O       0.98179162       9.57732625       1.56638259       0.69656788      -1.10885731      -0.19116975 
O       1.79858580       7.03745572       0.89462168      -2.20495047      -1.47401323       3.75793334 
O       2.68518033       1.10956059       6.26980191      -1.61152412       1.27334376      -4.23051976 
O       1.04414548       1.18867470       4.08829647       0.48802367      -1.42428979       0.74890242 
O       3.68479108       3.75808504       1.09846641      -0.81874026       0.91931262       0.49920815 
O       1.25980498       0.94241244       9.58864095       1.26379256      -2.01191424       0.63548178 
O       3.52056091       4.06359478       3.68896824      -0.12713101      -0.46287089      -2.33137891 
O       5.97334178       3.71140861       1.11828563       1.88053261      -2.81768219       1.24511108 
O       3.96719207       1.48561618       4.04948885       0.78714253      -1.54417213      -1.35903415 
O       0.91292194       4.02011546       3.22170757      -0.94689754       1.70489568       0.73024323 
O       1.57332513       1.99430856       1.98219686       0.65072724      -1.12350240      -2.69960624 
O       4.17499983       6.72851652       4.44771551      -3.00106902       1.13360630      -0.50784420 
O       4.18609976       1.07322738       1.38264374      -1.50146824       2.10254457       3.27638091 
O       9.12724365       1.78150329       4.52449263       1.85449332      -3.00103972      -0.51670726 
O       1.13899918       8.17400622       6.54877439       1.01716023       1.66593249      -0.67467497 
O       6.46641890       1.27425116       4.79329646      -0.22199655      -0.60949813       0.23993452 
O       6.87767651       9.59854762      10.42628338      -1.42497961       1.90402069      -1.83715086 
O       0.28334923       0.41986522       7.23642404       0.31647680       0.70340185       0.10982773 
O       4.19622497       4.02234361       8.90285020       0.41409978      -1.74359628      -1.52691696 
O       1.38574267       8.14672859       9.49500551      -1.12602933       3.70804350      -1.69263319 
O       1.49945218       4.48934598       0.33494938      -3.26523512      -1.72746801      -0.78298705 
O       3.86647750       9.07889294       6.55905534      -1.09396647      -0.10810249      -0.38485647 
O       9.43424377       8.91543141       8.80759167      -1.51183268       2.61201595       0.37575887 
O       0.71285058       5.65013914       8.30016978      -0.17479843      -0.53175539       0.19349472 
O       0.91606682       9.18001915       4.23192508       1.66006211      -0.54317418      -1.79020249 
O       3.99199016       5.99204561       6.84727377      -0.20678426      -0.22501217      -0.15427840 
O       3.89737561       9.10422837       1.43668711       0.65556249       0.05222959       0.47302236 
O       3.48303236       9.20779812       3.87192600       0.43483599      -0.14770349       0.45150334 
O       1.74066146       3.07080621       8.65740337      -0.69092891       0.39435949      -2.87020359 
O       8.80512991       3.39531660       1.19844081       1.87794221       0.51415318      -2.59138900 
O       4.66732664       1.38683461       7.23408066      -0.08407476      -6.61563658      -2.60029519 
O       6.80953139       4.10515449       8.88296045       0.25491821       0.03829372       0.90597661 
O       3.71172469       3.68048047       6.11898722      -0.04515533      -1.82110607       1.50918491 
O       0.91218805       3.32405874       5.88234748       0.17450272       0.10949996       0.83310447 
O       9.49861802       3.55077432       8.62641714      -0.64479033       2.28316467       1.58647090 
O       8.95300842       4.25016390       6.00686648       1.59818486       1.31768852       0.96070837 
O       6.35209566       4.18096620       6.23837118      -1.02584175      -0.59979317       0.38167957 
O       6.25106553       1.48042986       9.32348458      -1.67510149      -0.48302280      -4.40031345 
O       6.79308397       0.95681613       1.13164092      -0.09209776       2.64797351       2.80520766 
O       9.12309820       1.21821042       9.43020518       0.15189824      -3.48673497      -0.54176973 
O       6.82409710       7.97202835       2.09768353      -0.73224405       0.91755206       1.30288545 
O       8.68643619       9.39967988       6.20790533      -1.89852423       0.29641614       0.35002848 
O       1.87254709       5.51173610       5.65448805      -1.75255024       2.12944462      -0.45218583 
O       9.44168001       6.88221392       6.13316369      -2.02816390      -0.92287244       0.53709400 
O       8.42284840       6.57312736       9.15973335       3.10454325      -2.51870743      -2.23245676 
O       9.35577135       6.51318712       3.57194105      -3.27077006      -2.28984358       2.52613154 
O       6.98182294       8.67207782       7.75001052      -3.96508246      -0.64144923       0.21018516 
O       5.53328150       7.09821473       9.86724554      -3.98881613      -0.10677956      -2.59043069 
O       3.17374809       5.95299109       9.60429765       1.43937485       2.24733378      -1.20230814 
O       7.10343768       5.85315463       0.84340502      -0.19619865      -0.45749953       0.83508032 
O       9.64427812       6.25204747       1.25545177       1.17484062      -0.87617764      -1.07747823 
O       9.52228859       0.71223904       1.57806423      -0.39927258       0.35733483      -0.67177758 
O       8.99541966       9.02904442       3.79630289      -1.48754600       0.49585065      -0.31724418 
O       8.96339194       9.07656934       1.03619933       1.56920191      -2.95971549      -0.91244501 
O       6.24266620       3.67307354       3.56351482      -2.73415491       2.13634113       2.08630362 
O       6.40831422       6.49816571       4.54752067       0.57266693      -3.29678599      -3.37858945 
O       5.64639203       9.07690280       4.73559180       5.58029012      -5.76274856      -1.81586498 
O       8.00946500       1.89630955       7.03149710       0.36193122      -1.26481388       0.09207476 
O       1.45486952       6.91668707       3.26024140       2.02603840      -1.39691752       2.17157223 
O       8.40939692       3.78339765       3.48185292       2.84355206       0.97066842       0.26970834 
O       4.28431553       6.46642529       1.60261709      -0.25291099      -1.41221992       0.63602998 
O       4.10797910       9.47727074       8.94687418      -0.33672765      -2.82893301       0.89304076 
O       3.89372961       1.36243183       9.47877787      -4.63107492       2.60142012      -2.91429563 
O       6.60820430       6.51506559       7.25958396      -1.64946206       1.07945505      -2.28476582 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.024997985465548496 -0.013518197007010029 0.008749090542215458 -0.013518197007010029 -0.03358102832204304 0.0023427674273051036 0.008749090542215458 0.0023427674273051036 -0.024141179560270367" pbc="T T T" energy=-922.57752229 free_energy=-922.62189505 config_type=crystal 
Hf       0.22804154      10.25600082      10.09895036      -1.05131518       0.81064080       0.04077972 
Hf       5.39169328       1.93702150       2.70459314      -1.37337524       2.12914543       0.72798282 
Hf      10.05794693       2.56128061       7.47519260       3.00607675      -2.92401443      -1.20232492 
Hf       9.97662057       9.95406047       4.89106846       0.11265854       5.33868169       0.05874387 
Hf       7.92099338       5.13423460       7.41124778      -2.20328028      -2.03327674       1.56518479 
Hf       7.57639772       7.90255057       5.50289216      -1.40409275      -2.29677664      -2.55034350 
Hf       8.17988760       2.28271998       0.37222465      -0.53713803      -0.08544154      -1.60399077 
Hf       7.84812623       9.78178619       2.44080387       1.82994684       0.72409272       1.30797821 
Hf       2.51658377       2.90224167       4.90665734      -0.85327352      -2.81371252       1.69358303 
Hf       5.51397565       2.83196638       8.00289369      -3.85229051      -5.17472368      -3.57505457 
Hf       4.73667934      10.28007559       5.40008644       0.01600285       2.19605580       1.21523087 
Hf       2.27071755       2.70473265      10.08532556      -0.40829741      -1.39804759      -1.11296801 
Hf       2.67847767       0.25874634       2.47068759      -3.20325006      -2.55260500       2.96456638 
Hf      10.29413787       2.49382721       2.57020368       2.68020682      -2.74755802       2.40697283 
Hf       2.58820586      10.42852158       7.90721295       3.37202857       7.44771929      -3.95271848 
Hf       8.08463974       0.06333370       8.01158200       1.09000447      -2.00904536      -1.45322245 
Hf       2.67374402       5.10696356       7.90525985      -0.74410288      -3.00270774      -4.28017775 
Hf       5.01614342       5.22466299       5.63843185      -1.03783391      -0.42992848      -2.12515331 
Hf      10.36806127       5.33153430       5.03901657      -0.08348504      -5.15244103      -0.35874952 
Hf       1.90710554       7.91416261       4.87896702       7.09914451      -1.22838087      -3.80966334 
Hf       4.68299988       5.02778508       0.17547244       2.58905597      -2.27066264       0.03879982 
Hf       4.75234766       7.79849917       3.01242418       3.52307025      -0.01557914      -2.07175469 
Hf       4.97927278       8.15465307       8.04333457      -1.50811709      -1.50412933      -8.20959847 
Hf       7.59612420       7.70833600       0.03440606      -0.67280166      -3.13165499      -2.18978248 
Hf       7.61245189       4.91342866       2.50206966      -2.41449878       4.34515839       0.77989542 
Hf       1.96729090       5.08635875       2.36259383       3.69513902      -2.97790405      -3.42545901 
Hf      10.38145047       7.72584741       1.74960514       2.66195305       0.35786781       2.71568553 
Hf      10.04365721       5.00006388       9.91894459       0.13330890      -1.18648930       1.27459853 
Hf       7.66108843       2.38900686       4.73223110       3.13894085       5.60601850       6.21447496 
Hf       0.17806554       7.71885871       7.44680837      -3.27109692      -1.85524856      12.10867573 
Hf       5.39186964       0.28349555      10.17527366      -1.04028790      -0.86602503      -1.15419784 
Hf       2.83484029       7.55425574       0.03547225      -0.74336717       3.56379264       2.05170438 
O       1.40886680       8.96962603       0.94427375      -0.48901739      -0.45321199      -3.06315614 
O       0.74904479       6.06871795       0.77463151       1.47637619       3.06481339       3.51346956 
O       2.69550220       1.10403443       6.11247180      -1.30596364      -2.09577286       0.70138980 
O       1.46089983       1.45566202       3.72432997      -0.43867572      -0.44917709      -2.09351151 
O       3.63961655       3.51149896       1.36744399       2.21081644      -0.04659075      -0.82682103 
O       1.01331948       1.32922896       8.65102234       3.63548604      -1.34546339       0.79735476 
O       3.31148004       4.37178229       3.90042462       1.99878639       0.77570043       0.72827194 
O       6.63246851       3.60811140       0.60314188       0.99916314      -2.96170226       0.79166962 
O       3.82544718       1.26046540       3.91153900       2.62283912       1.96716250      -1.14273214 
O       1.08808091       3.84608820       3.54085372      -2.45260263       0.22583942       1.62400987 
O       0.97561154       1.46637386       0.58012608       1.77170308      -2.29641850       2.05467507 
O       3.97276689       6.77323712       4.36217840      -3.04792074      -0.32445633       2.63656264 
O       4.29189107       0.65716213       1.53334697       1.84518042       1.37770319      -2.18232692 
O       9.22334765       1.39134952       4.00618589       0.45294515      -3.29013279       0.82341260 
O       0.30650968       8.32082723       5.77030545       0.19060650       2.04930659      -5.00231134 
O       6.46632041       1.10559327       4.30728758      -3.75322434      -3.72814793      -2.80375528 
O       6.91035994       9.47789986       9.52329261      -0.53089547      -0.23779429       0.16129501 
O      10.08139038       0.48939847       6.98780898       1.78593810      -1.77230826      -2.01378522 
O       3.60089339       3.79052335       9.12553274       3.14214199       1.56167101      -0.69857326 
O       1.64201093       9.09251397       8.70369182      -3.65031874      -4.46327682       1.70417804 
O       1.31297307       3.78590776       0.80925558      -1.27084301       2.47622094       3.23067140 
O       3.51235352       8.94806115       6.59174945      -1.41044685       0.65517863      -0.76121919 
O       9.40663394       8.81124364       9.04370924       0.73994863       0.82833859      -2.29501827 
O       0.29339344       6.46101646       9.04833980       1.25708057       2.47089732      -4.25198521 
O       0.72801851       9.28042465       3.12056326       1.42540740      -0.55621136       3.66502673 
O       4.06884159       6.47027025       7.03910069       0.03169939      -0.81207009       1.28381329 
O       3.77947962       8.72340197       1.43283848      -0.08328668      -0.70016783      -0.56059299 
O       3.64296929       9.39594094       3.94224683      -3.93409668      -1.37396417      -0.95180178 
O       1.07400282       3.92492003       8.84804238      -0.58381017       0.14090066      -0.78403677 
O       9.46772871       3.69804516       1.24547843      -3.86950433      -0.08469208      -1.90011768 
O       4.85469088       1.32332372       6.72758785       1.56801164      -2.41761107      -1.28605618 
O       5.90568868       4.51937612       8.41182184       2.84000858       6.05387881       2.20069313 
O       4.04133013       3.78320214       6.65202168      -1.72266647       1.16394121      -1.03261189 
O       1.19000977       3.42053962       6.32157695       0.10644902       0.46433435      -0.81090578 
O       9.04556678       3.70467644       8.66266306      -2.65461803       0.39344222       2.69925936 
O       9.23780189       3.96463141       6.27223771      -0.00433272       2.42958802      -0.47536763 
O       6.56585471       3.50373408       6.16142065      -0.29458447       1.29492140       0.95633222 
O       6.51871494       1.19084225       8.72075968       0.24444607       1.56757815       2.53084982 
O       6.91569885       0.93315561       1.49716542      -0.49385224       0.90835539      -0.70175133 
O       9.17555835       1.16925299       9.29395650      -1.11848142       0.39590592       2.61389864 
O       6.76762557       8.57886773       1.56393789      -3.27730227      -0.02676878       0.79549949 
O       8.42987237       9.54675061       6.11447398       0.09375631      -0.43524206       0.05237366 
O       1.53748813       6.09969121       6.26224239      -1.66094465       2.74336584      -0.18057820 
O       8.82085255       6.86338020       6.99053710       2.59538650       1.64606670      -1.26784713 
O       8.12746869       6.02726908       9.30497166       0.94398779      -0.34428622      -0.06534287 
O       8.69307532       5.89110057       4.50682066      -0.97696279       2.63664406      -0.87132375 
O       6.29124883       8.79280240       6.83494103       0.86367526       1.53462598      -1.31647508 
O       5.33507491       7.51970325       9.62189290       0.70276177      -4.98237386       7.29161113 
O       2.63354606       5.82816522       9.60665024       2.45809384       2.81855794       1.58204966 
O       6.46598989       5.89668921       0.87795049      -0.95952918      -0.07421375       0.20154607 
O       8.82941568       6.69427802       1.51889576      -2.40320555      -3.67032599       0.35232029 
O       9.67207205       0.61324899       1.76753290      -2.85919252       0.95589513      -1.24937796 
O       8.95218473       8.50524555       3.95064742      -1.66980596       1.03337460      -1.80052226 
O       9.02144261       8.91638279       0.90218372       1.15488341       2.13838147       0.51790886 
O       6.21287228       3.68770256       3.65111671       1.25124081      -1.14879287      -2.21585919 
O       6.27478571       6.47905129       3.34139757       1.44538943      -1.74540573       0.33849787 
O       6.03472416       8.99796347       4.04915958       1.78327837       0.96056976       1.49310287 
O       8.15767560       1.58492649       6.75892847      -1.00264410       2.17627778      -1.31124972 
O       1.15958013       6.51680717       3.43494697      -1.50078225       2.53384031       2.19013761 
O       9.10885297       3.73702537       3.81799315      -1.33060290      -0.10436414      -2.56078414 
O       3.55917616       6.13423155       1.38371338      -0.01407309       1.87909994       0.93270945 
O       4.09765085       9.50290676       9.04198755      -1.28055647       2.42351125       2.29541143 
O       4.03263167       1.55617082       9.24899528       0.04705312      -2.01577006       1.32213132 
O       6.63633420       6.13797468       6.21108182      -0.14853815       1.30236605       0.21438349 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02468369475411085 -0.003844018593233988 0.020720367460750806 -0.003844018593233988 -0.009991434984244653 0.005858654831271398 0.020720367460750806 0.005858654831271398 -0.01953257437645916" pbc="T T T" energy=-931.32005163 free_energy=-931.33350128 config_type=crystal 
Hf       0.11793440      10.43933860       0.39423266      -1.42035447       1.60398938      -0.71349081 
Hf       5.22068290       2.70948410       2.19392474      -0.83874572      -3.36424745       3.36799687 
Hf      10.37711673       2.88302008       7.41673521      -3.34281652       2.14881026       2.26546643 
Hf      10.32417251       0.04979148       5.60273248       1.21189299       1.54558579      -1.96489744 
Hf       7.70190567       5.08591195       7.31447468      -1.08438239      -2.43386309       3.76040076 
Hf       7.66927708       7.51151105       4.86818725      -1.35168286      -0.55418179       2.31536860 
Hf       8.03830535       2.22798427      10.11275130      -0.22356839       2.67248674      -0.59511602 
Hf       7.77686763      10.39010277       2.97530580      -1.90841002       0.40708407      -1.34497970 
Hf       2.71393590       2.62426809       5.14505843       1.75720516      -0.19275340       1.35669463 
Hf       4.94061471       1.90101400       8.03524440       0.59430293       2.35330012       3.30246191 
Hf       5.07920552      10.43305867       5.33976146      -2.17410911      -2.45481480      -0.64791673 
Hf       2.39536675       2.69669189      10.43493390       3.96426758       4.13248976      -4.77322844 
Hf       2.78679970      10.05030691       2.56455203       3.06861950       0.53020266       3.80257678 
Hf       0.26937152       2.78041144       2.39638574      -3.33932991      -2.49673894       0.84933775 
Hf       2.35402484       0.10312724       7.54514491       3.63022395      -3.87359607       2.28520247 
Hf       7.59825031      10.15127340       7.59365878       3.35961314       2.60685467       2.77933580 
Hf       2.41286184       5.21746360       7.51482684      -2.73560013      -2.03785313      -0.81580782 
Hf       5.18198140       5.20995107       5.07977310      -3.27236569      -0.27578749       2.02443941 
Hf      10.45632148       4.85606770       4.59150990      -0.96359947      -0.40365891       5.23641133 
Hf       2.39761792       7.57107429       4.91479638       1.93648122       2.14129217       3.96702639 
Hf       4.87755439       5.20069727       0.13981514       1.68820672      -3.76660511      -6.39235222 
Hf       4.74290568       7.36470794       2.36144475       3.32436627       2.24715188       2.42439405 
Hf       5.22354949       7.62692508       7.98091928       3.62470174       1.12204454      -4.70649087 
Hf       8.12262995       7.81832634      10.26579142      -1.32547187       0.34586071      -0.39444378 
Hf       7.50579713       4.81060797       2.36154951       5.41270636       3.05123016      -5.11380659 
Hf       2.32062406       5.32052208       2.29351084      -1.11910836       0.08106784      -0.22599334 
Hf       9.91870439       7.70354792       2.44047963       1.50563235      -1.58865325      -1.46272442 
Hf      10.28289612       5.16874836      10.02404983      -0.01048225      -3.29033648      -0.05188753 
Hf       7.28149736       2.43177845       5.02183975       0.85412071       1.52209572       0.87094911 
Hf      10.16962149       7.84152655       7.63737861      -2.34882143      -2.66903940       1.97047342 
Hf       5.45123225      10.29178852       0.29510393      -0.02174535      -0.16098783      -1.21727387 
Hf       2.12983454       7.75701659      10.11541735       2.32994149      -6.36097630       0.85838885 
O       0.88826545       9.51041814       2.20333511       0.50667338      -0.35045779      -1.14302059 
O       1.32293333       6.87821520       3.18102953      -2.76489337       0.04514583      -1.44687527 
O       3.80107851       1.04318478       6.61247179      -0.21693740       0.36425361      -1.15275856 
O       0.56322369       1.85194846       4.18808646       1.82869249      -0.13456871      -0.59890906 
O       1.19263239       4.25800549       0.80573779       0.97495446      -0.10826077       4.51596906 
O       2.77551975       1.53022626       8.90881636      -1.58834661       0.82462596       0.61571797 
O       4.35812296       3.44486255       4.30530518      -2.17182339      -0.12507820      -2.39285935 
O       3.68341739       3.73365096       1.39964451      -0.72103021       1.73047168       0.87760310 
O       3.43172705       0.76534517       4.40497668      -1.71986265       0.42741623      -3.05035239 
O       1.66756206       4.09128593       3.68351514      -0.56822798      -1.32913638      -0.52150005 
O       1.22446450       1.69540132       1.00924792       0.24264745      -3.25122451       1.68771789 
O       3.36182236       6.28591829       1.00094048       1.55870203       1.54044568      -0.81176602 
O       4.00176978       1.12417308       1.59937414      -1.12632376      -2.18444141      -0.98432490 
O       8.77044388       1.05007133       4.36359427      -1.84638064      -1.04662493       0.93016972 
O       1.11682601       8.97160843       7.13080784       0.06936314       1.66080032      -0.23114554 
O       5.89936312       1.35581991       3.93759764       2.20012656      -0.09520052       0.07636528 
O       6.45605014       8.59702585       9.46471224      -0.45244506       1.03485196       0.76048802 
O       1.07202555       1.34399771       6.84264666      -0.21501620      -1.47927035      -1.96634472 
O       3.42441264       4.82238057       8.95710029       1.87347880       0.39179938       4.76809981 
O       1.48475816       9.33738286       9.63964923      -1.71598769       5.64584609      -0.62625379 
O       8.82851151       4.17925822       0.51153207      -0.31270367      -2.01629827       1.37066005 
O       3.63347938       8.57648164       6.39853879       0.32937318       0.98333226       0.25834868 
O       9.09726898       9.12084639       8.89510637      -0.55264974      -0.18026781      -1.26550313 
O       0.43798462       6.93579783       0.50229931       1.75157252       1.87392344       4.40408567 
O       1.61473413       9.42724743       4.86462958      -2.04741368       0.88092132      -1.84058647 
O       3.54497866       6.39049918       3.73760028       1.44160468      -2.93309836      -1.27202651 
O       3.90197174       8.71443066       1.22038561      -2.98427487       2.93470395      -1.78033577 
O       4.19401566       8.75082928       3.85730702      -2.06225273       1.34642419      -1.42826515 
O       1.02426849       3.92301550       8.98193721       2.75863635      -3.70875620      -1.21686808 
O       6.43243138       3.64309175       1.09087591       0.97615562       1.34584833      -1.16927875 
O       6.52868463       1.67298680       6.65596744      -1.29189994      -2.09883875      -1.35754849 
O       7.43171935       3.29886869       8.57348276      -0.89171825      -0.44882412       0.71553366 
O       3.89919495       3.60575672       6.63781852      -1.69352081      -1.58859756       0.45241792 
O       1.19499367       3.82485908       6.14352480       0.43980412      -0.36767048       0.20493682 
O       9.39035963       4.34104714       8.42572053      -0.22557014       1.11794803      -0.91375853 
O       9.04760413       3.95738817       6.12224210       0.85021487      -1.54332894      -3.05878493 
O       6.51606574       4.17405819       5.93241129       1.72609954      -1.53053745       1.33545345 
O       6.52680751       1.04822572       9.25500549       2.26634073      -2.07371255       1.25702792 
O       6.62282067       1.09086879       1.52825705       0.50875973      -0.28609282      -1.14227757 
O       9.91849036       1.32084323       9.63760508      -1.14515491       1.09624047      -0.74317793 
O       6.19670451       9.03945944       2.15780955       1.41670022       0.34563628      -1.54403710 
O       9.04801525       9.27877518       6.36491183      -1.49551179      -2.07946630       0.23756663 
O       1.04573111       6.50120374       8.77313463       2.95636702       1.63138961      -2.71933455 
O       9.32659252       6.63519684       9.37929706      -4.28127459       3.54156168      -3.49302248 
O       8.30252017       6.55824254       1.32880047       3.14581114       2.18542724       2.62589081 
O       8.96412939       6.43433445       6.69505744       0.49348231       3.28611485      -1.60714131 
O       5.89464349       9.55093332       7.15699155      -0.59853049      -1.21873523      -2.09837921 
O       6.20737626       5.96775440       8.93202254      -0.25663541      -0.08957207       0.78307622 
O       3.74334528       6.03404762       6.50120279       2.08553098       2.33185005      -2.69481739 
O       6.13604147       6.13749575       1.49422484      -3.75648455      -0.04360276      -1.21957185 
O       9.12428998       6.14903547       3.95877034      -1.33781720       1.65238564      -1.59574983 
O       9.27649532       1.33819713       1.69369323       0.42825872      -0.60323947       0.53841081 
O       9.13154348       8.69137687       3.98368377      -0.46241078       1.52354560      -2.29007271 
O       9.02120367       9.34463562       0.83559378      -1.05895133      -1.91146143       3.24536108 
O       6.42463260       4.05272552       3.59672365      -1.36864570      -3.51954730       1.95844848 
O       6.17941539       6.44810808       3.90152776       1.98009065       2.26804892      -0.74917932 
O       6.64417935       9.34910448       4.71878947       2.72071940      -0.92200987      -0.85516230 
O       8.89535850       1.25334796       7.27148078       1.65768113      -0.07223103      -1.77500523 
O       1.08298439       6.22831180       5.68654571      -0.27733083       1.02589087       0.23874914 
O       9.10307677       3.61340709       3.18569170       0.64567052       1.37320808       0.72624207 
O       3.84801167       7.40614750       9.05043734      -5.30054706      -0.21482168       4.17548045 
O       4.52190151      10.42204980       8.74641589      -1.49467973      -0.35445827       3.04245840 
O       4.90560810       3.07729735       9.71914881      -1.38871561      -0.42364702       0.44610519 
O       6.36104080       6.60042656       6.40909008       0.83805308       1.25808589      -0.66912990 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0050928424582339284 -0.00720263898510633 0.015047083334646548 -0.00720263898510633 -0.0011901480493754064 0.019479021997223244 0.015047083334646548 0.019479021997223244 -0.0010535887168027262" pbc="T T T" energy=-928.23396457 free_energy=-928.23405684 config_type=crystal 
Hf      10.30392408      10.45225923      10.31003393      -1.79925140      -0.15113706      -0.77198175 
Hf       4.91216193       2.33029503       2.70321736       3.13303076       0.24929605      -2.54355950 
Hf      10.28966210       2.55779684       7.92748054      -1.77854840      -0.26298802      -0.31822722 
Hf      10.43609031      10.26211140       5.30446295      -2.86507814      -1.30498923       0.86050594 
Hf       7.23485432       5.44290953       7.64968624       0.45497971      -2.95451514       0.59483686 
Hf       7.84697337       7.84088759       4.99753567       3.04974071      -1.56612214       0.31516238 
Hf       7.90164671       2.34759807       0.01494720      -0.14568995       2.26015865      -0.61742423 
Hf       8.16193378       0.00648653       2.74718618       0.43768426      -1.69197620      -0.33176737 
Hf       2.51548848       2.00186191       5.28972298       1.34697428       5.87130590      -0.81107538 
Hf       4.95590876       2.12393935       7.66968945       1.41056026       1.46439489       2.94977617 
Hf       4.94407317      10.19054656       4.78628986       0.22118503      -2.18059091       0.59553934 
Hf       2.22733704       1.99759599      10.16328473       2.36282748       2.19301816       1.95585025 
Hf       2.08654885      10.45214452       2.67171368      -0.12499674      -6.41464792      -0.12327255 
Hf       0.22843455       2.82662139       2.37444199       0.43477481       0.06618880      -1.36673507 
Hf       2.09130616       9.90287521       7.76363155       1.45722457       0.92687786      -1.89001443 
Hf       7.77176378       0.09986126       7.68018757       1.05716921      -0.37787278      -0.06767728 
Hf       2.63657739       4.91236445       7.88482575      -1.68445353       2.03926898      -0.50987261 
Hf       5.04991596       5.32239291       5.01684895       0.52327637      -0.28502869       0.64415336 
Hf      10.29832215       4.88197218       5.12660924      -1.95202522       0.64111683      -0.74123784 
Hf       2.78581347       7.63593742       5.07788657       0.76956169       0.93943524      -0.56704671 
Hf       5.02619913       5.31039362      10.10223528       1.68215172      -2.02527296      -0.04062865 
Hf       5.36302615       7.81916929       2.41014460      -1.78309324      -0.52335175      -1.38385776 
Hf       5.22099992       8.24698610       7.64320358       0.62620880      -3.52588666       0.66327748 
Hf       7.79725662       7.99345423       0.11156571       0.92857259       0.30627562      -0.02740697 
Hf       7.45887621       5.03592391       2.04720431       1.41572071      -1.71703178       0.55198794 
Hf       2.42957353       5.29096741       2.64666691       3.19547098      -3.12449125      -0.94539303 
Hf       0.00302630       7.47387019       2.66535536      -1.43546174       2.55872518       0.32780852 
Hf       9.98534394       5.56551970      10.43019324       0.49526794      -0.36369207      -0.61820856 
Hf       7.45621769       2.50961485       5.21279421      -0.52819469       0.22488732      -1.55353387 
Hf       9.96448313       7.59896086       7.94346148       0.40211320       0.17797796      -1.01522905 
Hf       5.45569828      10.42848965       0.14274798      -1.32469906      -0.78776083       1.56999788 
Hf       2.56623594       7.62529853      10.16681299      -0.19812835       3.33770603       1.81228294 
O       1.67898916       8.45436150       1.82916647      -0.72213766      -0.51614665       0.30799497 
O       0.71937050       5.78977949       1.93610874       2.18432993      -0.44371271      -2.65794020 
O       4.21698887       1.06707891       6.16508371      -1.44555838       3.18576267      -0.20520326 
O       0.32611926       0.96916415       3.66772280       3.29621974       1.00572581      -2.24247731 
O       2.36288385       3.54653624       1.26693456      -1.55903189      -0.82365832      -1.11132957 
O       1.05996754       1.04769498       8.63521869       0.56649404       0.99655694       1.37834608 
O       4.62588300       4.21924789       2.83586933      -1.44830986       0.46252618       1.41506156 
O       6.27194571       3.47957255       0.45730763       0.00294732       1.26414687       2.14302805 
O       3.42148524       1.00205335       3.66368609       0.42195240       1.92446573       0.63883640 
O       2.02497358       3.47622085       3.58349888      -2.06923967      -1.60288892       1.28437781 
O       1.64232366       0.24650141       0.82700009      -0.73270328       1.88963463      -1.12542542 
O       4.00121110       6.66164001       0.93349336      -0.88028135      -1.49472286       2.17289484 
O       4.05284955       1.29366701       0.92282129       0.24914133       0.86365935       0.53084011 
O       8.45869838       0.83373006       4.53544477      -0.58440464      -0.41890628       0.45836639 
O       0.51590516       8.68264355       6.50792565       1.22414119       1.26616549       1.29166261 
O       5.66309074       1.43669496       4.45167959       2.39095581       2.97042551      -2.40789614 
O       6.07183856       8.61592509       9.57391312       0.90830152       2.34678742      -0.57836636 
O       1.74467148       0.52639282       6.07853431      -1.94566764      -0.84674188       0.05644449 
O       3.50449780       6.25957884       9.11246810      -0.94495355      -1.01060565      -0.95624942 
O       1.09757407       9.11268297       9.17986414      -0.99282665       0.22971095       1.50848301 
O       0.15332481       2.20070987       0.19420788       1.75878128      -0.25024241      -0.30040787 
O       3.69734256       9.27592795       5.97447160      -1.48398921      -3.74906884       1.49140761 
O       8.79703085       9.06903703       8.94857023       0.86515307       0.63260428       5.18461567 
O       0.52490484       7.11722606      10.06859168       1.47992342       2.18359632       0.20961858 
O       1.57808066       8.87753466       4.37082359      -2.05682750       1.85452131      -1.74892025 
O       4.24573931       6.61112668       3.65012545      -4.61173281       0.24370072       2.21296751 
O       3.93052050       9.05257129       0.60933955       1.40554626       1.12081234      -0.05037746 
O       3.77963641       9.02935286       3.49694037       2.21471433      -0.25586021      -1.16523199 
O       0.68951085       4.54564754       9.34339569       3.22294625      -2.65839418      -2.93730862 
O       8.83802685       4.26172674       0.66057892      -3.07207187      -4.37484326       1.69759061 
O       6.92209318       2.01653898       7.16126238       0.26874420      -0.92307642      -3.45967800 
O       5.77017222       4.02181224       8.69392643       1.74813439       0.23790676      -3.56401362 
O       3.37067676       3.95778202       5.98098671       0.83614698      -0.48948823       1.10044287 
O       0.79077217       3.18140767       6.24443593       2.77984429       0.53013150       1.12290369 
O       8.80655562       3.51243349       8.61966089      -1.97848244       1.18699856       0.05432126 
O       9.14143247       3.35430501       5.55048971      -1.28022068       0.34858519      -0.16395887 
O       6.33633565       4.12345076       5.81265975       0.32822162       0.24391784       0.76109256 
O       6.41875405       1.19888489       9.14286299      -2.20964252      -1.83928437       2.69753286 
O       6.78679619       0.98878608       1.76876875      -4.73326173       1.38091912      -2.15948404 
O       8.79942782       1.05442276       9.04132808       2.22792899       0.94830660       5.04692182 
O       6.77114838       9.15361879       1.66273453      -0.78717642      -1.67798618      -2.70809875 
O       8.41995899       8.77341628       6.91006123      -0.56875666      -1.97394833      -4.87000322 
O       1.13154034       6.55596216       7.69238582       3.41481351      -2.30330602      -1.13239415 
O       8.44803259       6.49048614       9.14864336       1.30834339      -0.61061012      -0.53685560 
O       9.01224847       6.64457110       1.57702253      -2.41782043       1.10672770      -2.45522035 
O       9.31612214       6.02340831       6.42874424      -1.12286181       0.58913365       1.75258962 
O       6.09076950       9.75293130       6.81561477      -0.45496165       0.64252520      -1.54217987 
O       5.98870574       6.40483819       8.75342783      -0.16168734       1.51981533      -1.89779873 
O       4.25573129       6.42428732       6.69258877      -1.89895237       0.20796323      -2.27342779 
O       6.65609638       6.38946690       0.64796684      -1.56569338      -0.56134283       1.28415627 
O       9.11422998       6.54937390       3.91500540      -0.36073962      -0.66805141       2.50316377 
O       8.96234511       1.39484785       1.56154322       2.38751789       0.77823376       0.25586282 
O       9.45291244       8.89203381       4.08005696      -0.60715636       1.48704555      -0.33367739 
O       9.29626577       9.21939948       1.43745418       1.01427228       0.41217906      -1.60314360 
O       7.01494365       3.33495332       3.11980226       0.08548813      -0.15064546       1.18161254 
O       6.43571672       6.23483507       3.30228245       0.66637972       1.12426672       0.74957062 
O       6.57682119       8.95838491       3.92778442      -1.17037761       0.48859790       1.57493965 
O       9.57638272       0.78522645       6.95629473       0.55030419       0.18685388      -2.29923387 
O       1.44493615       5.88052469       4.32695200       1.75567659       2.38064413       0.87319489 
O       9.77896565       4.39947282       2.98659663      -0.42668402      -3.06298581       2.04117947 
O       3.64078562       8.89303532       8.38370355      -1.58249783      -2.13064069       2.45736151 
O       3.60903013       0.78168636       8.47600759      -0.39662501       2.23216619       2.32921400 
O       3.57649846       3.70356754       9.17759580      -2.44536838      -1.98327062      -0.51872691 
O       6.63203092       6.63058596       6.05584359      -0.71034614       0.33390614       0.47629651 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.035484753754309685 0.0026704602941114144 0.015503750983207458 0.0026704602941114144 -0.038742784518354646 0.0167400831230504 0.015503750983207458 0.0167400831230504 -0.03694778491427604" pbc="T T T" energy=-927.11934016 free_energy=-927.11940241 config_type=crystal 
Hf      10.44076462      10.42934317      10.22276247      -2.41582559      -1.41472687       2.78644545 
Hf       4.74186283       2.24117566       2.65852082       0.95890234       3.82267337      -1.39241082 
Hf      10.27561364       2.53515918       7.96274744      -1.14376095       0.67595945       1.20871282 
Hf      10.45132648      10.19809196       5.24514042      -2.81059319       0.10539464      -0.68871465 
Hf       7.23533984       5.59634978       7.67516453       0.56189829      -5.44864107      -2.87415940 
Hf       7.91372910       7.76346032       5.00943772      -0.69233303      -0.86427879      -4.17619017 
Hf       7.84896603       2.36060682       0.15041300      -2.45793878       1.55545574      -0.92684372 
Hf       8.21970019       0.12646362       2.77550175      -0.85330190      -0.58815702      -3.10963052 
Hf       2.48167867       2.08645047       5.27237630      -0.18906101       3.80122544       2.98186332 
Hf       4.90920659       2.12965390       7.70359407      -2.73501278      -0.09368284       1.39845087 
Hf       4.91770546      10.21104713       4.74914835      -0.50026726       1.46318090       1.48913347 
Hf       2.30254485       1.98545708      10.22348505       5.60869540       2.14358353       0.28862941 
Hf       2.03489230      10.30656481       2.68143929       0.95127483      -3.31094712      -0.59811954 
Hf       0.31737904       2.78846937       2.43335466       3.05001899       2.03003457      -4.50243012 
Hf       2.05876873       9.92729568       7.84659586       3.22008825       0.46664307      -2.17196164 
Hf       7.75628794       0.23919035       7.63658726      -0.05012194      -3.94800722       3.00891407 
Hf       2.54508427       4.86179125       7.81972692       0.49462931      -1.25437248      -0.96072353 
Hf       5.05720253       5.33429266       4.98411067       2.06601570      -2.48003628       0.98409973 
Hf      10.35794464       4.94399603       5.21092306      -0.80501207      -0.94381339      -0.45141329 
Hf       2.90316040       7.66798775       5.02432485      -3.52121393      -0.51109027       0.56214487 
Hf       5.01990256       5.19366817      10.11738364       0.98974159       0.22997802       2.40717795 
Hf       5.40326775       7.90609997       2.44717339      -1.56344135      -1.54289063      -2.73657774 
Hf       5.19683294       8.25125474       7.54169693      -2.24056819      -1.29592159       0.54816352 
Hf       7.78740071       8.04837373       0.15194683      -0.65850810      -2.22318902      -0.47473726 
Hf       7.49169466       5.08006207       2.17370059      -0.35595611      -1.05254879       0.04976780 
Hf       2.54862991       5.33637125       2.59870366       2.20388450      -3.05535185      -1.03463484 
Hf       0.04418892       7.31789493       2.82926296       0.16611905       2.29983273      -1.59431361 
Hf       9.91323182       5.53481616      10.40205360       2.50113922      -2.13757364      -2.11812554 
Hf       7.44364548       2.46166709       5.26086861       1.62733138       4.76874918      -6.93835228 
Hf       9.99802657       7.60579717       7.91258200       2.06297929      -0.12021056       0.23694516 
Hf       5.42500762      10.46110537       0.02270129      -2.44538728      -1.17580925       4.35545581 
Hf       2.49821632       7.64721307      10.15402853       1.19634738       0.39757011       2.45950263 
O       1.56243327       8.07452991       1.60650298       0.06166374       1.85986804       1.71631441 
O       0.89185096       5.78150910       1.85075573      -1.76525736      -0.49279570      -1.59003820 
O       4.10132721       1.08037140       6.15476006      -0.06145872       0.30111435      -1.34981188 
O       0.08620768       1.10186615       3.20251580       2.29232493      -4.71077068       3.27279881 
O       2.21720523       3.69891375       1.11831514       0.09815650       0.70242507       1.77284261 
O       1.08182547       0.98011787       8.71706793      -0.86710995       1.49355251      -0.74535498 
O       4.99124067       4.19263224       3.16544295      -2.06109607       0.98469902       1.13453850 
O       6.17471460       3.81351466       0.70857671      -0.88908732      -0.12179880      -0.46735710 
O       3.10554656       1.27896933       3.65757906       1.80522540      -2.90349492      -2.32701550 
O       2.05700895       3.42310824       3.69623984      -1.93336664       1.30037047      -0.16562922 
O       1.53541446       0.30636012       0.89751150       1.92231320      -1.94895527       0.99161877 
O       4.09983043       6.70161639       1.15072865      -1.30351930      -1.28012572       0.29409370 
O       3.96184468       1.78229579       0.99237955      -0.69103347      -2.03897124      -1.70220835 
O       8.48246471       0.68900376       4.62136819      -0.86207255      -0.14288518      -1.03703161 
O       0.47281529       8.85413297       6.62163411       1.44461584      -0.53380140       1.51914029 
O       5.77889548       1.50605551       4.12219451       0.88759707      -1.58811307       3.67947181 
O       5.84888537       8.87291677       9.30968448       2.92343842      -0.22717056      -1.67081855 
O       1.48059763       0.55970914       6.09811950       1.94946092       1.13831351       0.65847633 
O       3.19334731       5.82509548       9.42290208       1.24473871       1.36562920       0.57957077 
O       0.92757828       9.05850332       9.17286958       1.99259017       0.48749605      -0.90040263 
O       0.52171558       2.06071942       0.28656487      -4.65648466       2.97603937       0.39869799 
O       3.66804725       9.06296213       6.06092241       1.91259244       2.18059129       1.24996601 
O       9.05666493       8.75087010       9.42414546       0.52498629       2.75227467      -3.72149126 
O       0.56793243       7.13960112       9.99629839      -1.33123956      -3.27863027      -0.93714241 
O       1.49963387       9.08062573       4.22202510       0.25376004       0.42990457      -0.88621147 
O       4.00578221       6.64796184       3.87075954       0.99009785      -0.39297797      -2.88451174 
O       3.95331630       9.38403375       0.29288687      -2.96673496      -1.79718956       1.90231489 
O       3.79980048       9.13606257       3.16426823       1.43113980       0.85041940       1.42043014 
O       1.07917867       4.69488948       9.07796595      -4.28356156      -2.30435043       0.70618641 
O       8.56031702       4.02083156       0.68911931       2.87006902       1.96217236       0.61196104 
O       6.89736322       1.64981484       6.81848701      -2.43545071       0.87627661       2.49284509 
O       5.94690143       3.65597449       8.07441269       0.59685369       4.23330687       1.88428060 
O       3.55906135       3.63001433       5.90288248       1.52558946       1.96414638       1.29384759 
O       0.93681292       3.11027090       6.46880446       0.62129909       1.58067387       0.00957677 
O       8.67843112       3.56201355       8.65507056       0.83950452      -0.64404961      -0.79171140 
O       9.20888001       3.31957564       5.30992840       0.48668113       0.60395779       1.81702284 
O       6.70566399       4.43581764       5.87034997      -0.43712506      -1.60866191      -0.86058253 
O       5.89006547       1.30967014       9.26868178       4.73345642       2.22643928      -1.94929546 
O       6.21616955       1.07920222       1.91045870       2.63194021      -1.36731264      -2.43566102 
O       9.03524334       1.09151654       9.50872649      -3.14350494       0.23669308      -3.83663411 
O       6.69000781       9.10305438       1.27573077      -2.21701781       1.85945721       2.40650763 
O       8.50081562       8.45696549       6.60500238       0.18351433       1.87960577       3.81237726 
O       1.46435482       6.22547348       7.14412806      -1.74163669       2.52850186      -1.58193427 
O       8.41419473       6.33484652       9.05619249       1.84208778       0.55215772       0.54694841 
O       8.83820729       6.69055320       1.09423577       2.43923095      -0.93419294       3.79912432 
O       9.54866446       6.09269518       6.67011230      -2.20389482      -1.41101523      -1.25295057 
O       6.15862847       9.83600770       6.68214947      -0.75782672      -1.46755283      -0.83918698 
O       5.77367264       6.31496409       8.65008143      -0.97683319       1.48986184      -0.89249349 
O       3.93468646       6.55942825       6.39064675       1.40002903      -1.20499877       0.09791466 
O       6.58837441       6.40277624       0.67978754      -2.20590556      -0.19729938      -0.17601552 
O       8.96900528       6.36594851       3.93442952       1.15938583      -0.69233538       0.70872204 
O       8.99202034       1.37390341       1.41237580      -1.39548641       0.14305699       1.71343430 
O       9.66764883       8.74819441       4.15135428      -2.88256630      -0.34246495      -1.61586151 
O       9.20270328       9.20596852       1.38300126       0.63024549       0.87575181       1.48116006 
O       7.49453257       3.52251296       3.25505885      -0.87661026      -1.35217457       1.09999727 
O       6.49126744       6.52488466       3.33977499       0.01213154      -0.18147193       0.73886699 
O       6.35649272       9.03756046       3.93614650       1.74129903       0.16481074       0.96434285 
O       9.33800832       0.62796593       6.73771589       1.81866902       1.94218081       2.12533808 
O       1.61740604       6.24800072       4.33491395      -3.16570046      -1.09174510      -1.36371064 
O       9.86109497       4.22510959       3.07907210      -0.28923374       1.78398344       1.50760329 
O       3.35575102       8.39740747       8.49921691       0.19806802       0.28726250      -1.33714204 
O       3.65503211       0.75943229       8.71001591      -1.72895568      -1.28815807       0.05637028 
O       3.24940176       3.27317532       8.99787451       1.84960731      -0.22934387      -1.54396707 
O       6.55101866       6.70755104       5.95156549      -1.42253866       1.34651747       2.47890862 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017037724371717407 0.0046906428495052475 -0.0009058553727212146 0.0046906428495052475 -0.011386302616805729 -0.01999914069648619 -0.0009058553727212146 -0.01999914069648619 -0.017248628073352548" pbc="T T T" energy=-925.66696756 free_energy=-925.66909828 config_type=crystal 
Hf      10.34242211      10.37557694      10.23372173       4.87389168       0.14270454      -1.09833437 
Hf       4.55747885       2.27873047       2.44500616       2.61807806       0.61989701       4.25289497 
Hf       9.94655641       2.59313209       8.07008408       0.41952983      -0.17562835      -0.58165291 
Hf      10.21692735      10.09995365       5.23488700       0.53023140       1.26777086      -0.32561103 
Hf       7.24328223       5.57403730       7.61315627       1.38843531       0.61890910       1.59791530 
Hf       7.93021096       7.50113810       4.89795092      -1.76065011       4.55035142       1.17461654 
Hf       7.47795076       2.58483124       0.34812528       1.40384476       0.50723897      -0.87750905 
Hf       8.17920646       0.24256340       2.68461086       2.95057823      -1.02400427       3.40057183 
Hf       2.48278820       2.61477315       5.43488143       0.23907347      -4.44665044      -1.12576084 
Hf       4.77534609       2.33292770       7.79455530      -0.92068531      -1.26090047      -1.82823128 
Hf       4.98102283       0.00038516       4.91448888      -3.03499337      -0.02070720      -0.08415476 
Hf       2.45639349       2.22298823      10.30842423      -1.65728904      -1.42989648      -2.71965533 
Hf       2.11910690       9.65407322       2.49080499      -2.70332897       1.12661848       2.27807641 
Hf       0.71035586       2.76937138       2.37237188      -4.25814977      -3.51341229       1.89271653 
Hf       2.31881037      10.06209845       7.72177345      -2.55495918       1.31421876      -0.74107527 
Hf       7.67400257       0.28419365       7.68403714      -2.41124188      -1.68335022      -1.26123554 
Hf       2.26849307       4.84814333       7.67370261       0.57657798       0.79222191       1.45328225 
Hf       5.29114303       5.20266481       5.13975542      -0.81837930       1.24403242       0.68281200 
Hf       0.04125106       4.94156421       5.42028600      -2.63432964       0.27059855      -2.01016105 
Hf       2.83970896       7.63077476       5.03399802      -0.31760422      -0.95339392      -0.76899627 
Hf       5.04593211       5.09391807      10.22920054       3.30641023       1.47832324      -1.14543793 
Hf       5.40026573       7.95644658       2.35133618      -0.19341008      -0.04980728       0.61667637 
Hf       4.95687281       8.05752925       7.35469147       4.59547034       4.23717842       2.52791963 
Hf       7.90740260       8.14172825       0.26164673      -1.80867689      -0.30839951      -0.23263503 
Hf       7.66411934       5.11326609       2.61495485       1.51936919      -0.16776443      -1.98937105 
Hf       2.89444760       5.17107269       2.26194667      -2.83027089      -1.04938647       5.83167386 
Hf      10.41553145       7.02490570       2.85818619       3.81744555       0.33482352       0.34995949 
Hf       9.96519117       5.05557556      10.18091002      -0.67944546      -0.64431278       0.28668963 
Hf       7.68298068       2.66823848       5.08402280      -1.24002819       0.82243402       0.28510423 
Hf      10.16446218       7.62056969       7.80122875       0.93461328      -3.39472600      -1.64305400 
Hf       5.07450661      10.45318047      10.26143393       1.45526844      -1.57616947      -2.16840781 
Hf       2.38501128       7.55535584      10.37656485      -1.92420691       2.05164295      -2.13093943 
O       1.09158709       8.18767833       1.38730590       0.88766833       1.67479563       0.58381323 
O       0.99560743       5.84760985       1.14258459      -0.04876307      -1.75178415       0.04567085 
O       4.08255901       1.40493528       6.14683034      -0.04775802       0.44530917      -2.58588577 
O       0.48697889       0.64641313       3.33863376       0.41354601      -1.57136562       1.03012019 
O       2.83038273       2.88889047       1.78405139      -2.22872867       5.00798237      -0.47956050 
O       1.14284321       1.11823194       8.73845362      -1.52089995       0.09038763       2.03181800 
O       4.21138139       4.21710138       3.78948217      -0.22989119      -1.37567204      -2.98831857 
O       6.06225748       3.84373634       1.18809372      -2.77751482      -0.05329366      -0.71134118 
O       3.14124981       1.29962155       3.68007762       1.71866566       0.16239973      -0.59388422 
O       1.68808785       3.70311038       3.86774852       0.43399231      -0.29005601       2.05769119 
O       1.63360458       0.67948224       1.30638941       0.21068701       1.00181885      -3.84750712 
O       3.61968681       6.24413848       0.87288558       1.91619665      -1.05040057       0.52679177 
O       4.37206593       1.82511595       0.52509637       0.43348726      -2.42447830      -0.73895230 
O       8.55642244       1.12302975       4.51694566       1.95815933      -3.65877766       0.78692782 
O       0.74581042       8.91797470       6.99666831       0.59017137       1.35352018      -2.98964556 
O       5.83968568       1.33818939       3.80060178       0.30858543       0.33358898      -0.37075423 
O       6.42637574       9.56850890       9.07229589       2.49372390      -0.48709741      -1.29325580 
O       1.33611729       0.89204281       5.85918547       1.21098554       0.95337548       0.27040335 
O       3.38492293       4.65622870       9.29778462      -1.11109058       1.90020037       1.79948827 
O       1.64315394       9.26977665       9.57966011      -0.74745769       1.36700515       1.10075732 
O       0.72825787       3.05377425       0.31207257      -1.13731412       1.36924772       0.79061899 
O       3.32981222       9.37648762       5.72425250      -0.11182831       0.21291927       3.33092999 
O       9.70489992       8.73293741       9.24782275      -3.54536990       1.57156821       3.25339332 
O       1.33149416       6.70932015       8.78817770      -0.35747037      -0.02270749       2.39561975 
O       0.89371154       8.37941011       4.01430525       4.70805117       2.21728419       1.66409756 
O       4.48513773       6.78746435       4.04322117      -2.05853428       0.70406199      -0.25862951 
O       4.02186604       8.63478905       0.94519153      -2.42281505       1.66305183      -0.76723657 
O       3.71696574       9.00109171       3.54624538       1.09369987       0.36888393      -1.68880657 
O       0.63509875       4.36488664       8.69909642      -2.19326855      -0.88605100       1.22508181 
O       8.35304523       4.36748916       0.84507176       2.49593578       0.81220365       0.71819161 
O       6.76156438       1.86859746       6.73058516       0.59370383      -1.36903944       0.15816094 
O       5.55062347       3.79521953       8.85751565       2.80621754       3.81748664       0.48978551 
O       4.13232715       3.98893393       6.44244188      -2.08250014       0.20552780      -0.00894696 
O       0.79112624       3.54854847       6.58385542       4.93299529      -1.24579505      -0.78050171 
O       8.42296143       3.79399823       9.13310483       1.92191236      -1.26961587      -2.37579161 
O       9.04750146       3.58680076       6.25095396       2.86595346      -1.47914955       0.35626159 
O       7.14196753       4.39543538       6.00899206      -5.18643305       2.33859608      -0.08302756 
O       5.94467705       1.51125481       9.10443215       3.88823416      -1.40203589       2.96627849 
O       7.03101408       1.00002552       1.48074898      -3.96624871       3.24654076      -3.54915863 
O       9.07566852       1.31558323       9.68589215      -2.04854163       1.08099321      -1.42292121 
O       6.25075730       9.30975010       1.00493815       1.67710770      -2.15914583      -0.78011821 
O       8.47856532       9.04156932       6.22412480       0.74369100       0.27920696       1.57427029 
O       1.08919179       6.22154436       6.59559033       1.69010636      -0.75207626      -2.73978424 
O       8.18702565       6.43028393       9.24041163       3.26868115       0.88182314       1.74986382 
O       8.76083130       7.16408051       1.97945870      -2.45847646      -0.01269815      -3.99980081 
O       9.10944033       6.35615539       6.61862989      -2.04477732      -0.89049430       1.04999567 
O       5.99543121       9.57279795       6.28283275       0.58647353       0.20172316       0.97264578 
O       5.86435347       6.98480183       8.79628032      -0.76971175      -3.08884531       0.70658987 
O       4.10396532       6.65401873       6.60790361      -4.51115134      -4.56621838      -3.43242168 
O       6.42872991       6.48767931       1.19334367      -0.39950784       0.88090854      -0.19068032 
O       9.23858246       6.31420738       4.33971323       1.23439488      -1.74643747      -0.79294145 
O       9.20880737       2.07189900       2.31219259       0.08688417       0.31656695      -2.37536584 
O       9.29661827       8.84144522       3.85216791      -2.77369748       0.42883831      -0.74110206 
O       8.99413965       9.88630627       1.02086980      -1.24484760      -2.77222757       0.83396016 
O       7.00520286       3.49102676       3.36283957       0.13854998       0.19933380       1.74943550 
O       6.55245944       6.16034074       3.84508846       2.53105524       1.17605689      -0.42040633 
O       6.76101909       9.10085365       3.29785325      -0.82947402      -0.96685747       2.01805198 
O       9.60515420       0.67750905       7.19620610      -2.08416244       1.33359631       0.03298628 
O       1.97198374       6.26610065       3.85300007      -0.70069160      -2.32505356      -2.83959593 
O      10.02265689       4.47108120       3.28609040      -0.71703535       0.08021644      -0.95238094 
O       3.41206974       8.53127718       8.37690659       0.27494301      -2.51782588       1.56187722 
O       3.97270368       0.37702602       8.24906269       2.41661397       1.00142712       3.60647209 
O       2.82803339       2.60134680       8.34451559       0.65521694       1.79560306      -0.61756901 
O       6.47326223       6.83891368       6.26857088       0.39313461       0.04651331       0.12588259 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.023171075827746843 0.0007294948165055637 0.009749573578348898 0.0007294948165055637 -0.04231985291118785 -0.019349480267987194 0.009749573578348898 -0.019349480267987194 -0.03203252274669567" pbc="T T T" energy=-925.37313938 free_energy=-925.37316164 config_type=crystal 
Hf      10.27565153      10.40473766      10.27288929       3.53143535       2.11526397      -0.73142912 
Hf       4.62288485       2.34610276       2.44427373       3.87246284       0.71355987       2.65150793 
Hf       9.80550113       2.60360551       8.09450434       3.31268874      -3.69424679      -3.05951846 
Hf      10.15627080      10.13976341       5.30007049       1.50058408       1.93879094      -1.84996800 
Hf       7.27817340       5.52219413       7.72237808       1.13400556      -0.51979250       2.21121186 
Hf       7.86297096       7.56206363       4.89122733       1.23174274       4.16256368       1.38176581 
Hf       7.41097796       2.69696014       0.32993638       0.39189490      -0.73019307      -5.15135159 
Hf       8.15921016       0.22458948       2.69186844      -1.07846331      -0.28467184       0.68747560 
Hf       2.54871584       2.59738545       5.46359796      -0.66562241      -1.61212651      -2.31734954 
Hf       4.77944047       2.44132666       7.76875831       2.98475281       0.06890786      -1.47781755 
Hf       4.95864400       0.10343986       4.99020545       0.76155688      -2.24957184      -2.33457804 
Hf       2.35671476       2.29403373      10.24333996      -2.29778870      -1.22951297      -2.03712123 
Hf       2.12379764       9.58080459       2.46011453       2.53554164       5.83920117      -2.45329570 
Hf       0.71458713       2.66236799       2.38514504      -0.89241051      -2.26901262       0.28539430 
Hf       2.36602518      10.11195963       7.60227676      -0.78040937       3.61575021       2.37253350 
Hf       7.59227034       0.19387683       7.68982893      -1.67937758      -2.73902293       0.61273679 
Hf       2.22995411       4.93488552       7.73803687       0.22497670      -0.67739861      -0.63356120 
Hf       5.30042174       5.20835110       5.19483547      -2.72537874       0.21292432      -1.89704121 
Hf       0.03399537       4.85249716       5.41686732       3.28869429       0.89972703      -3.69314119 
Hf       2.77209929       7.54156149       5.06187318      -0.80123304      -0.25156754      -2.00509302 
Hf       5.13585581       5.21649077      10.25110400       2.30413631       2.01881667      -3.04089007 
Hf       5.40359398       7.92982737       2.28257094      -1.58619842       1.18248503       2.03763595 
Hf       4.93276098       7.99962510       7.41851383       3.00088741       2.47753158       0.94912239 
Hf       7.93142137       8.17347234       0.27898891      -0.97513280      -0.49756768      -6.84480042 
Hf       7.76964815       5.11607030       2.65311953       0.01743824      -0.59931261      -1.01602622 
Hf       2.90171041       5.06004442       2.20582606      -0.77714367      11.46425542       7.73311426 
Hf      10.41122157       6.97252477       2.75786296       0.81406812       1.67151417       0.78121804 
Hf      10.00411874       4.87531536      10.11265030      -1.30850648       1.33934541       2.03346578 
Hf       7.81959442       2.72322570       5.08853226      -3.97617971      -2.40518076      -0.07443395 
Hf      10.19244325       7.60394936       7.75075331      -0.20936634      -0.46286328       0.94770027 
Hf       5.06491507      10.37190645      10.16299178       2.54533160      -1.84450350      -2.61717306 
Hf       2.36448078       7.48559391      10.41454083       1.47082768       3.44657250       1.51545723 
O       1.10463310       8.59851896       1.02593628      -1.19174300      -2.10881904       1.60971470 
O       1.17428535       5.50245174       0.89679268       0.80502432       5.18487217       2.46095897 
O       4.14823965       1.57639298       5.85512730       3.11323733       0.74096329       3.83379919 
O       0.60909401       0.35181409       3.37770084       0.35559915       1.67624010      -0.19439911 
O       2.67937546       3.48496944       1.72892791       1.22220159     -11.97520025      -3.44895893 
O       0.83526901       1.40215305       8.93850311       1.64087699      -0.44528276       1.37090388 
O       4.49781052       3.96466867       3.75415937      -3.94971972       1.20003411      -0.83273890 
O       5.55317429       3.85607075       0.91026520       0.15685774      -3.37903691       2.75742269 
O       3.54116907       1.46442809       3.74023022      -2.00805645      -1.46257717      -2.37542164 
O       1.47116685       3.55552126       4.05621192      -1.06938064       1.13525034      -0.78424627 
O       1.52669988       0.86589908       1.07738990      -0.02386991       1.44699381      -0.33441168 
O       3.88386186       6.20110115       1.01456904      -0.62595807       2.38906076      -0.16048051 
O       4.24594058       1.50791588       0.63199971      -1.82449257      -0.24962428      -1.35239979 
O       8.76641010       1.01662303       4.46587542      -0.59810154       2.32747923       1.64758066 
O       0.80342696       9.08327263       6.79134846      -0.71683586      -1.30378203       0.27846963 
O       6.09513653       1.31536062       3.81675730       0.71506586      -0.50371545       0.08278740 
O       6.65084768       9.23351357       8.70109641      -0.45276075      -1.96019045       1.72723097 
O       1.45338059       1.02781737       5.86462339      -0.48401048      -2.85190368       1.32908089 
O       3.34860553       4.77106991       9.44826095      -0.47436392      -0.16758643      -0.69642022 
O       1.80630306       9.61821895       9.54264461      -0.97157613       0.04126459      -1.76316203 
O       0.91921401       3.51196533       0.39860115      -1.50764166      -4.59375092       0.22210140 
O       3.42949973       9.27052938       6.14862655       0.98470423      -2.23690737       0.06481521 
O       9.60877436       8.68255857       9.52408553      -0.00722458       0.15074607      -2.78675562 
O       1.32820045       6.93509607       8.96753373      -1.72268018      -1.65482416      -3.05206087 
O       1.24971159       8.67368292       3.68920593      -3.46261696      -5.00706330       5.54316641 
O       4.33451906       6.67684248       4.22150598      -0.07151531      -0.31304496      -1.61544995 
O       3.82922191       8.85266331       1.11498668       0.15279147       0.08620780      -0.06768323 
O       3.78798697       8.82081383       3.66093118       0.14908558       2.22180147      -0.21145443 
O       0.45419917       4.18232869       8.58553449       3.62375175       2.49426965      -0.91734027 
O       8.30494592       4.37444332       0.86703257       1.11679649       0.54599398       0.09643945 
O       6.99661828       1.81577099       6.92780678      -0.67730261       3.08856076      -3.30115731 
O       6.05552855       3.88046150       8.91619377      -0.59367387       0.53524904      -0.03525154 
O       3.49906794       4.04149372       6.45905917       3.19461542       0.33431957      -0.27958028 
O       1.13792807       3.39245389       6.54454772      -2.73961497       3.36545570       0.66731117 
O       8.72473809       3.85652771       8.87788863      -5.12128083       2.66852111       0.53082710 
O       9.02432375       3.91086016       6.06069027      -1.52711463      -2.23979631       0.88329248 
O       6.43093712       4.23338511       6.41903726       0.89713555      -1.22508604      -0.34474400 
O       6.65962495       1.04221750       9.42378951      -1.47408816       1.51099473      -0.51852516 
O       6.81669007       1.20912921       1.23295395      -0.62972949      -1.42211395       4.41731066 
O       9.04717984       1.73203061       9.69923645      -0.46299134      -2.36217532       2.68598876 
O       6.40614950       9.12500943       1.00274454      -2.29801286       0.13228190      -0.28424086 
O       8.50029671       9.19185161       5.92077351       0.59781516      -0.44083997       4.00681725 
O       1.06989076       6.41831049       6.33794776      -0.67202460      -1.06328389       0.87031492 
O       8.80338708       6.25947910       9.35083057      -0.14869554       2.14447529      -0.42102169 
O       8.70016450       7.33126330       1.66653899       2.91874804      -4.35676072       3.90840576 
O       8.78899773       6.45801224       6.78481201       0.87914031       0.93979688      -0.24029288 
O       6.08844559       9.81162449       6.44014508      -1.48487495      -0.87214845      -1.39953637 
O       6.17303446       6.83161884       8.73272882      -2.02202623      -2.20399670       1.98031567 
O       3.58773497       6.25814131       6.54494690       1.09067760       3.35663372       1.61932064 
O       6.37458061       6.26004417       1.56046374      -0.60222880       1.31681900      -1.23879950 
O       9.41438489       6.29612148       4.41914122      -0.30851208       4.12119723      -0.02174916 
O       9.46192980       1.98153383       2.14129179      -3.33491711      -1.01812283      -0.93053601 
O       8.97314905       8.98461854       3.70986799       2.51891714      -0.76887478      -1.06611612 
O       8.82361531       9.71919005       1.04063940       1.05943656       2.58546047       0.98204226 
O       6.56174809       3.73698403       3.41050494       4.89620132      -1.05122287       1.14802685 
O       6.91377066       6.11236881       4.11222974      -2.36355200      -0.84800602      -0.21939512 
O       6.65467852       9.02850531       3.56628878      -1.85804495      -1.18767199      -0.11203031 
O       9.45660021       0.76051606       7.31393211       0.57288157      -0.88117773      -2.02519969 
O       1.62657716       6.37148764       3.64806309       1.58084068      -2.48070151      -0.49521149 
O       9.72552901       4.62853231       3.17069531       1.18973811      -1.99660869      -1.29515490 
O       3.89174500       8.81252941       8.94644590       0.19490668      -2.31466717      -0.31558382 
O       4.48520628       0.51832369       8.11347035      -1.08731518      -0.07424631       2.22126304 
O       2.88670083       2.42170013       8.00434954      -0.95655043       0.39575620       3.67380411 
O       6.23973043       6.87904695       6.31476722       0.62176531      -0.25172934      -0.48120176 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0001515587213342016 0.0034830005490990123 -8.5823041114744e-05 0.0034830005490990123 -0.0030682061179655934 0.013000482187537861 -8.5823041114744e-05 0.013000482187537861 -0.005780801860268913" pbc="T T T" energy=-928.00138619 free_energy=-928.00164308 config_type=crystal 
Hf      10.07635477      10.38085264      10.27341144       1.36002544       1.14692373       0.63178845 
Hf       5.41765228       2.43598984       2.87071110      -2.11889919       3.59223631      -1.53732233 
Hf      10.41157554       2.51598489       7.91168181      -0.82759916       0.59175841      -0.28620574 
Hf       0.06687713      10.33461475       5.15220433      -1.61681776       1.35558468       1.10178184 
Hf       8.13800626       5.17751098       7.55097375      -1.05775334      -0.31619163       0.80738039 
Hf       7.68857759       7.96368553       4.97821925       1.08533284      -1.68412482      -1.07028504 
Hf       7.30528651       2.03499612      10.22474152      -0.02663580       2.64138099       0.93930653 
Hf       7.16404032      10.26574820       2.68193183       7.38030992       4.68695508      -4.54720175 
Hf       2.92513565       2.78782308       5.59518792      -1.89492382       1.86460583      -6.23545580 
Hf       5.25174658       2.60875017       7.60729206       3.57257497       1.37958459       0.36811808 
Hf       4.76297222       9.92734633       5.02802434      -1.30187366       2.37386138       0.15699080 
Hf       2.29552852       2.77250580       9.98128839       0.47730928       1.10178320       5.73229577 
Hf       2.31219761      10.21169792       2.78790148       1.85193912       3.00220853      -1.46820879 
Hf      10.17125034       2.13118762       2.22839035      -0.40804112       1.99851228       3.63089964 
Hf       2.72086191       0.50346085       7.81583706      -2.17990409      -2.10328051      -0.17222486 
Hf       7.87943230      10.44721683       7.73984972      -2.13443838      -0.53806882      -0.23281077 
Hf       2.47431183       5.28804996       7.75895316       0.51427495       0.34713012      -1.31906821 
Hf       5.08618469       5.56180158       5.28079154      -0.66886551      -2.74467449      -2.35648124 
Hf      10.38330477       5.02693522       4.74922591      -0.99769933      -2.34495627      -0.30676020 
Hf       2.24464688       7.80942777       5.29956267       0.03578905      -1.03800386       0.26639223 
Hf       5.07087694       5.29623201       0.12925192       1.50934939      -1.76666572       0.45918868 
Hf       5.11130337       8.05528079       1.98776122      -2.06741977      -5.15800712      -0.36416728 
Hf       5.34064837       7.48033778       8.07304099       2.73867314       0.69296428       0.72208990 
Hf       7.84895829       7.62093182       0.16095707       0.53807929       0.35561069      -2.40551787 
Hf       7.65250824       5.39294336       2.55268253      -0.66264695      -4.93193943       0.46120296 
Hf       2.63849228       4.88963553       2.41617376       1.40668824      -0.63358004       1.74027674 
Hf       0.00199716       7.54197784       2.56136058      -1.11325127       0.70408677      -2.19454942 
Hf      10.00625290       4.86159218       0.30270679      -1.08209204      -1.08285900      -2.16531094 
Hf       7.62003068       2.27865690       5.08540967       2.63597727       2.28849410       2.83233218 
Hf      10.33326775       7.57611168       7.76279488       0.10837681       0.14153318      -0.40946902 
Hf       4.65434520      10.22475398      10.14335907       1.56835146       2.07316901       1.69136252 
Hf       2.08589503       7.84550915      10.21591370       2.61311130       3.27685710       4.48904868 
O       1.61457263       8.74940043       1.56856898      -0.15194774      -1.83142113       1.00870615 
O       1.20026078       5.94589940       1.25962580      -1.08867798      -0.17490481      -1.24920982 
O       4.19442542       1.40453871       6.39728368      -0.61422395      -0.31507023      -1.05381851 
O       1.32662644       0.98890498       4.24091125      -0.52745395      -3.80836346      -0.66870708 
O       3.61932426       3.87484450       0.81791877      -2.68371998      -0.58231285       0.17010517 
O       1.06526868       1.18433656       9.01729140      -1.11241837       3.57581038       0.70885118 
O       3.99417059       3.77216563       3.89444131       1.65078252      -1.47129880       0.55165709 
O       6.08367572       4.22825490       1.48453763      -0.72286484      -1.65790238       0.93038093 
O       3.99484315       1.18251754       3.53188136      -0.87978278      -2.39896905       0.63067433 
O       1.62217329       2.83800924       3.19176953      -0.81574389       3.71627163      -1.97575100 
O       0.59069715       0.52738784       1.59437025       2.09647576      -1.81827754       0.07552972 
O       3.86314528       6.16773030       1.37370895      -0.49336699       2.84429033       1.26522511 
O       3.62945000       1.36163441       0.68473135      -1.50785092      -2.10820104      -1.91695010 
O       9.00126880       0.94167656       3.84689755      -0.06594294      -0.40712488      -0.01455549 
O       1.11337405       8.88997866       6.76978171      -1.78891992      -0.20294839       0.08381734 
O       6.33342657       1.07946534       4.17464932      -0.30292071      -1.10754331      -0.80905771 
O       6.82391949       8.74938997       8.40268181       0.85751913      -0.67240927       0.14001504 
O       1.73536200       1.67250033       6.65482819      -3.23027865      -0.03911777       0.17772813 
O       4.06309596       4.92125047       8.92874400      -0.73357652       1.25911784       0.43797810 
O       1.63518079       9.69503207       9.43236875       1.83890930      -4.50103376       0.91270819 
O       0.54616337       2.98400300       0.63994659      -0.32670348       1.98017114      -1.30358100 
O       2.88819781       9.84716844       5.73063112       1.44004401      -1.45877723      -1.42095359 
O       9.42156586       9.56907219       8.55278700       2.24823994      -3.14237215      -0.91913424 
O       1.54463958       6.61084419       8.98335527      -1.89979724      -0.33242941      -1.75037862 
O       0.35454127       8.51937554       4.33938176       0.92119052       2.23743987      -0.21062494 
O       3.67901415       6.05040776       3.89685167      -1.28124498       1.15427349       2.78513980 
O       4.35357362       9.75556731       1.75293360      -1.68849574       0.78736910      -2.11995308 
O       3.37002880       8.45590275       3.57945003       0.15849919       2.11672105       1.84589612 
O       1.21012580       3.99601473       8.47134228       2.73963063      -1.08771398       2.19302456 
O       8.40201333       3.88809481       1.02894447       1.68454506      -0.25930655      -1.55605822 
O       6.56185484       1.10898453       6.88479426       0.07119727       1.75868077      -2.65007932 
O       6.49824724       3.44326645       8.98264420       0.13889369      -0.40004124       0.52947128 
O       3.88393000       4.26358450       6.72919378       0.11971184      -2.05899584      -2.65791652 
O       1.19030585       3.92222603       5.80535466       1.66288688      -1.39658440      -0.07774141 
O       9.40750504       4.08220776       8.77310637      -1.30403673      -2.23607892       0.17002656 
O       8.97181775       4.29413785       6.00485854      -0.47138678       0.69370474       1.20465643 
O       6.35255732       3.61465487       6.26053064      -0.27245395      -0.15531904      -0.24113995 
O       6.31618340       0.47711659       9.15232161      -0.90859254       1.82122825       2.14374917 
O       6.23918734       1.25680830       1.16589951      -1.89894916      -0.05574990       4.27497105 
O       8.72521388       1.39002377       9.08414363       2.61765032      -0.46442176      -1.30818636 
O       6.72655180       9.23170564       0.97810742      -0.66369494      -1.49590719      -1.86936245 
O       8.44558706       9.59405239       5.75094916       0.19454908       0.51287484       0.19616375 
O       1.10592850       6.09952835       6.50450896      -1.10728994       4.04950602      -0.90517698 
O       9.31499315       6.24550767       9.11057267      -0.17658437       3.03484154      -0.02562388 
O       9.13986432       6.31873663       1.48103690      -0.77118827       0.48199231      -1.39207083 
O       8.96623864       7.10293300       6.37938858      -0.06319435      -0.63814065       2.25539417 
O       5.84129025       8.46815867       5.83487050      -0.00651903      -0.24480024      -0.09840178 
O       6.69591179       6.30091186       9.40516093      -0.43775771       0.05900230      -2.63345670 
O       3.75427450       7.14468288       6.96725766      -2.27979655      -1.29634375      -2.41238104 
O       6.39993760       6.67382905       1.02831849       0.66359411       0.84958442       4.28726409 
O       8.85616823       6.30750002       4.02811436       0.04159427       0.93774158       0.03886382 
O       8.65618500       0.91233625       1.03528929       0.90853517      -0.14337509       0.51907471 
O       8.43186440       8.45768692       2.81419508       0.36264910       1.27768630       1.35345589 
O       9.83098549       8.46950075       0.37446734      -0.24489568      -0.03637740       0.31011309 
O       7.04212762       3.76482977       3.93872150      -2.19765468      -2.45191363      -1.39264417 
O       6.13289586       6.02614020       3.60421180      -0.11459708       2.78710196       2.14365925 
O       6.13493540       8.97708257       3.36261507      -3.09719729      -2.83763133       5.84148651 
O       9.24101763       1.82034032       6.59495598      -1.09426379      -2.61928674      -2.56115557 
O       1.13171607       6.38299502       3.68966833       0.81081428      -1.47389589       1.06933591 
O       9.23908431       3.76162198       3.33082869       3.13106465       0.94543169       0.65710952 
O       4.29442870       7.80318353      10.08663227      -0.78568618       2.05006024      -1.06071673 
O       4.18589944       9.79965461       7.94919842       2.12277785      -2.12997585       2.95682381 
O       3.63057501       2.18618781       8.87258279       2.34183976      -2.41569603      -4.39373646 
O       6.37917862       6.05069641       6.81030694      -0.30470053       1.59440352      -0.18846624 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04927199038179849 -0.000877029324830852 0.007891853785562368 -0.000877029324830852 -0.015949385491120505 -0.0024133680767787673 0.007891853785562368 -0.0024133680767787673 0.009726742512456964" pbc="T T T" energy=-927.55722024 free_energy=-927.55722992 config_type=crystal 
Hf       0.01932238      10.19261217      10.26867852      -1.59070480       1.52003167       2.31701783 
Hf       5.04719559       2.24292822       2.80007251       3.88646819       1.46131145       1.98420737 
Hf       0.53773483       2.50378297       7.72509730      -1.78965426      -0.94344810       1.79949420 
Hf      10.30383868       0.34405497       5.20569478       0.99249871      -4.94736861      -1.68991192 
Hf       7.65167471       5.29587658       7.50105678       1.99970674      -0.72550311       0.74318214 
Hf       7.54442819       7.83619266       4.96384047       1.29063968      -0.47800615       2.13015490 
Hf       7.53478934       2.29224768       0.21024775       1.85935726       2.63557544      -4.69769850 
Hf       7.63074702      10.13138218       2.07792994       0.38028027      -0.23601655       3.10465226 
Hf       2.38583392       2.45625293       4.62362942       1.40478948       2.80253438       3.75291248 
Hf       5.87887082       2.23346657       7.48510388      -3.86722847       0.49837893       1.52975775 
Hf       4.68445395      10.12239360       5.28788846       2.21508806      -0.08567544      -0.52119726 
Hf       2.51905536       2.67193483       0.19653964      -1.88321240       3.37867437      -0.97606617 
Hf       2.54426645       0.24459750       2.22488962      -4.56170490      -6.82060288       5.32040485 
Hf      10.29426263       2.79553803       2.36158604       0.96697448      -2.30835345      -2.18865708 
Hf       2.61785126      10.36604998       8.07743052      -1.00585417       0.39926069      -3.96980679 
Hf       8.10209359      10.12297008       7.93544804      -1.40529211       1.83127329      -1.58969905 
Hf       2.38501819       5.31093859       7.24614892       2.02592556      -0.06090249       0.82919697 
Hf       4.88081231       4.98000311       5.32846194       1.11299759       1.08244225       0.31226127 
Hf      10.01742264       5.32404249       4.90971483      -1.85432820       0.81843112       3.64379774 
Hf       2.00623961       8.21407482       5.31282398       2.16904252      -9.23951794       0.80419915 
Hf       5.02645095       4.88499565      10.21315952      -1.11598136       0.52743588      -0.27105281 
Hf       4.97860231       7.74584581       2.12342777      -0.24883009      -0.10130596       1.76449731 
Hf       5.26081586       7.94274831       8.14820202      -1.33659545      -0.91849511      -2.11237974 
Hf       7.46799698       7.21172182      10.29822461      -0.05288489       1.42991496       2.98741462 
Hf       7.44720881       4.77691989       2.66426436       1.13539752       0.30205172      -1.79297792 
Hf       2.16314103       5.36982165       3.15296546       4.98494899       0.35534877      -2.36404430 
Hf       9.98882343       7.76480795       2.28229830      -0.59499256      -1.33088373      -1.21967417 
Hf      10.13529863       5.10015582      10.09849120       1.15958045      -0.83076182       0.43049968 
Hf       8.16452071       2.44244780       5.39938803      -3.94463624       2.04702813      -5.48507120 
Hf       0.00183692       7.74161903       7.86475220       0.22676532      -1.82302478      -1.80440360 
Hf       4.96126338       0.49682654      10.40082267      -0.01145892      -3.73007657      -2.54928316 
Hf       2.50784920       7.31833388       0.25122145      -3.49676775       0.28741451      -1.39569852 
O       0.90421113       8.65015009       1.10841182       1.99883901       2.50740945      -0.48785853 
O       0.84980688       6.23599075       1.12908455       0.84264726      -0.26279028      -0.48457221 
O       4.36960312       1.06816132       6.86784979       0.37866540      -2.36058821      -1.28482249 
O       1.09166768       1.24831058       3.94144396      -1.60065486      -0.81651780      -1.31630699 
O       3.53759088       4.27852039       1.16731025       0.55000328      -1.23606437      -2.68584425 
O       1.40012826       0.86683727       9.34217669       0.65696195       1.65139172      -0.48385792 
O       4.38199961       3.94660317       3.54848902      -1.33742351       0.18338610       2.25728647 
O       6.40574634       3.90475104       0.91850754      -0.08072504      -2.67880211       0.97224314 
O       3.55548630       0.96830948       4.27879073       0.44640068       1.16701754      -2.98182722 
O       1.76577646       3.48984900       2.86258776      -0.38534224      -2.91031155       1.18337315 
O       0.84597656       1.21726092       1.35528530       2.36609558      -2.44110497      -0.12745579 
O       3.06166105       6.83762226       2.21487682       2.55180966       1.68803650      -2.61772167 
O       3.76727813       1.37062278       1.48126255       1.10752749       4.96445988      -1.52750008 
O       8.91708518       1.29466329       3.53278491       1.30801910      -0.22550119       2.11350518 
O       0.91752853       9.63419351       7.05454158      -0.88687710      -1.99509014      -1.53175909 
O       5.86925636       0.79888159       3.70719774       0.92554967      -2.52345398       1.23931789 
O       6.85594428       8.96350131       8.94781415       0.33673821      -2.99433660       1.46674809 
O       1.82887488       1.45526880       6.55651865      -1.01281230       0.57891873      -0.07940812 
O       3.44423960       4.80725502       8.82046373       2.95785887       0.67220879       1.21662165 
O       2.09123405       8.57215042       9.08938835      -1.95524844       0.03939980       0.35923782 
O       0.87264350       3.54494632       0.74355161       0.19867229       1.05642971      -1.60213470 
O       3.20126007       9.22585932       6.14471272       4.24926171       4.58571773       4.79544908 
O       9.60540895       9.20761046       8.86990093       0.10964934      -1.64939315       0.13904790 
O       1.16973318       6.20774991       8.87411159      -0.73367591       0.95354044      -0.30803344 
O       1.05539570       9.08624943       4.19059060      -7.28221527       5.00827635      -5.34897758 
O       3.09686768       6.28119961       4.74774735       0.68534781      -2.49772813      -0.48657126 
O       3.56823623       9.66925685       0.89862552       0.24197456      -2.82308694       0.36991911 
O       3.39731104       9.02046695       3.66090239       1.76824469       0.81362865      -1.09747340 
O       1.46120670       3.69880699       8.88616122       0.40700457      -1.07148929      -0.34732827 
O       9.10300990       3.78361503       0.88751607      -2.82612999      -2.44197479       0.93204626 
O       7.26525947       1.22005216       6.66817354       0.91069723      -1.77495159      -0.48185682 
O       6.85624215       3.55611909       8.70697464      -0.84251812       0.36246850       0.99165375 
O       3.64713986       3.63000418       6.48186345      -0.47447192       2.75625275      -1.54170815 
O       1.12075816       3.76872424       5.27580754      -2.42849453       3.52415896       2.76243428 
O       9.43828938       4.10275532       8.43520521       0.75503377       0.24480507       0.00523121 
O       8.63028042       4.22559690       5.93469753      -0.12296367       0.52334986       1.56599530 
O       6.19727481       3.39972601       5.90290435       0.18659193       0.71968164       0.69675543 
O       6.52751388       0.93527156       9.07319965       0.38787741       0.47445788       1.88734271 
O       6.22103392       1.25646616       1.32523119       0.47154487      -0.04072551      -0.10761992 
O       9.20518816       1.12471083       9.01223728       0.77909632       0.52914901      -0.40382245 
O       6.41248835       8.74980746       1.18020618      -0.69839419       1.31704551      -0.71834054 
O       8.88859367       9.11957684       6.21610822       0.60706309       1.94079386       0.47551118 
O       0.85967786       6.59942138       6.17292907       0.89503473       0.37049334       2.32118634 
O       8.88980618       6.67205409       9.04393259       0.81112783      -0.67383175       0.16649271 
O       8.80356030       6.24233547       1.16058028      -0.11305566       0.92018004      -0.18616879 
O       8.88631445       6.69888116       6.62325512       0.44537954      -0.46256475      -1.01218729 
O       6.32341733       9.04382510       6.45205226      -1.77133193       0.09199211      -0.57580996 
O       6.28635997       6.04727721       9.02293488       2.32771507       1.11970899      -1.07761716 
O       3.98510906       6.96377576       6.78468662      -0.75395793      -1.70134495       2.93480944 
O       6.27758835       6.15915524       1.31644125      -1.63651863       1.36385020       0.61740572 
O       9.03483663       6.82889355       3.76961199      -2.58333876      -1.63622318       1.62014218 
O       8.59966825       0.79966070       0.86154367       2.04252910       1.14249417       0.39969017 
O       8.56342066       9.23483137       3.65315814      -0.38733608      -0.56264833      -1.18081323 
O       8.89851155       8.95927904       0.88830836       0.18409983      -1.49373407       1.00426450 
O       7.09650204       3.12739999       3.65202256      -1.81849672      -1.12695197      -2.46680342 
O       6.63031164       5.53193628       4.17135979      -1.16581954       1.22364958       0.26518534 
O       5.95861374       7.99252943       3.78270144      -0.41250049       0.93292046      -0.24446837 
O       9.63217322       1.65976328       6.42867464       0.89074380      -0.03824324      -0.03336828 
O       0.74673229       6.30287615       3.79789815      -0.41597011       2.43818271      -1.78869311 
O       9.36426132       3.82381487       3.65208912       0.00281452       3.10591742       0.49952664 
O       4.55726387       6.91262315      10.03161177      -3.14459868       2.46844814       1.90099873 
O       4.14708261       9.68476944       8.94178740       4.59632921      -2.13358346       0.12169240 
O       4.11148204       1.80805520       9.34350161      -1.69162121       2.23277273       0.64945541 
O       6.37185249       6.29779670       6.41585167      -0.79786189       0.11966940      -0.06138545 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04446428292932435 0.0066026818533389 0.012958691451653468 0.0066026818533389 -0.026764858095724875 -0.003986912489592109 0.012958691451653468 -0.003986912489592109 -0.008810656906821843" pbc="T T T" energy=-928.43729724 free_energy=-928.4375355 config_type=crystal 
Hf       0.01913002      10.26537435      10.25464325       1.68534617       2.54113862       3.82412730 
Hf       4.99274591       2.17781318       2.87917323       5.77718705       0.28261492       3.14178055 
Hf       0.48710961       2.39222553       7.74013985      -0.78840148       0.14697790       1.55453338 
Hf      10.38872029       0.31662735       5.15018791      -2.17080384      -3.96966644      -0.55905980 
Hf       7.54445508       5.28584494       7.41956590       2.34306938       0.83381886       3.18832860 
Hf       7.41878229       7.83130464       5.01283851       2.45922382      -0.51178356       1.32276361 
Hf       7.63472501       2.33476902       0.17699621       2.75610615       2.09327131      -3.65004742 
Hf       7.75333657      10.19033462       2.04882228       0.27801740      -0.41225830       2.96912351 
Hf       2.26686840       2.45466405       4.48842568       0.13784749       2.51937737       9.71144728 
Hf       5.87198615       2.19641800       7.42972816      -1.64931372       0.48289824       3.07542744 
Hf       4.83062092      10.13579285       5.21586405       0.57745996      -1.90528358      -0.60365165 
Hf       2.47054149       2.76691120       0.19512817       0.46867590       0.34528310      -2.05027196 
Hf       2.47460174       0.10735966       2.27785749       1.27984899      -5.17030364       0.23554385 
Hf      10.39453175       2.88909027       2.38656750      -1.20098430      -3.76532497      -4.12832221 
Hf       2.62397818      10.21466341       8.14133305       0.61297629       1.49136476      -1.96767912 
Hf       8.06477112      10.12993083       8.03257762       0.48865060      -0.62339756      -0.15588867 
Hf       2.37375541       5.20826172       7.24709799       1.67559293      -1.55278333       2.10667114 
Hf       4.90774174       4.89860496       5.32033013      -1.19223734       3.72796761      -1.19393823 
Hf       9.90305198       5.34156186       5.06751278       0.53675128       3.98355868       3.16612464 
Hf       1.97606618       8.21478181       5.21527878       0.10906747      -0.92906486      -2.03777859 
Hf       5.03133176       4.85611941      10.09380559       0.24982025       0.91285095      -1.35557677 
Hf       4.98748634       7.71913900       2.27970132      -1.48385408       3.51051196      -2.19905728 
Hf       5.14165231       8.06328880       8.04659039       2.50971447      -3.84753221      -2.84788060 
Hf       7.37741192       7.28583141      10.33459915       1.38998644      -2.40778497       3.11923852 
Hf       7.53203903       4.79255022       2.66738339       0.12209615       2.06378389      -0.81337774 
Hf       2.15588157       5.42737894       3.32769543       1.42235718       2.45637544      -4.37644273 
Hf       9.92270248       7.71767844       2.26489029       1.66115095      -1.91776114       0.88883592 
Hf      10.28223571       5.14789613      10.05588247      -2.50351727      -0.59367545      -1.01030125 
Hf       8.14637106       2.53838486       5.42076347      -1.21548668      -1.74497248      -5.02371292 
Hf       0.09585647       7.73803164       7.80703310      -3.45364059      -0.37146345       2.03061475 
Hf       5.05036161       0.51170455      10.38361059      -3.32200772      -2.51369389      -0.10902451 
Hf       2.46345524       7.28594371       0.16951372      -5.92380120       2.22547871       1.31018781 
O       1.24410767       8.84358755       1.04453974      -2.99554509       1.20955093       1.01088378 
O       1.02130226       6.27170823       1.24797430      -0.14267653      -0.76103986       0.44300247 
O       4.79830150       0.62547215       6.93490161      -0.93659645       1.18316264       0.73395045 
O       0.79375305       1.33667430       3.75843095       2.03187019       0.83616167      -1.42573143 
O       3.55209295       4.44167296       0.70106030      -2.42158476      -1.42809243       2.13794333 
O       1.72842050       1.24098320       9.24373361      -1.98019613      -2.59791305      -1.65533070 
O       4.10368712       3.77576538       3.80989807       0.23160614       0.30127883       0.21042612 
O       6.18267771       3.46878127       0.80801796      -0.56605356       1.61664976       1.19912222 
O       3.68207457       1.27589341       4.44383486       0.96234381      -0.86873781      -1.84541909 
O       1.94092591       3.33117470       2.86289651      -2.35293573       2.76558186      -2.99644984 
O       1.47600245       1.12598268       1.09607730      -3.20838008       2.42992812      -0.73716529 
O       3.28661884       6.80799171       2.35984719      -2.09651133      -1.42115990      -0.79430462 
O       3.83680708       1.68588419       1.52526015      -1.26773743      -1.09906836      -0.85593653 
O       8.88314811       1.22699564       3.82013757       0.13783700       1.85517580       1.36972046 
O       0.84198182       9.73545714       7.05765862       1.12681068      -1.78149384      -2.78006849 
O       5.70336343       0.31519516       3.62423762       2.60969222       1.98971517      -2.27179934 
O       6.98827284       8.59784127       9.09484532       0.01178240       3.54207585      -3.86640822 
O       1.81020444       1.51178607       6.53749518      -0.21116619      -1.28430148      -1.48515324 
O       3.72125678       4.83517068       8.61330603       0.48531201      -0.83936353       0.23462667 
O       1.96902578       8.59758538       8.97447470      -1.01935513      -0.43428792      -0.01969433 
O       0.73023368       3.60398134       0.48620156      -0.98603118      -0.71049269       3.74647930 
O       3.45833077       9.15139880       6.26348399      -3.15575927      -1.24339872       0.51069592 
O       9.81856955       9.20004235       8.89557316      -2.24263446      -0.54844785       0.56529662 
O       1.05537069       6.26353036       8.95384090       1.59361468       0.94540769      -0.56017518 
O       0.47908120       9.14823696       3.79949853       2.87133552       0.37018055       2.22965730 
O       3.21915109       6.17654870       4.74797645      -0.59870153       0.35961949       1.85436933 
O       3.37227087       9.72837989       0.74696191       1.76897403       0.90490546       0.81924623 
O       3.68698259       9.25490031       3.32447121      -1.04391026      -0.49061417       2.55299568 
O       1.36568797       3.67062842       8.83095536       2.22598664       2.08766311      -0.96259184 
O       8.86458630       3.71572519       0.98337621      -0.92352486      -0.97504203       1.39014860 
O       7.42439751       1.18847354       6.64599388      -1.41918490       0.19714034       0.14090483 
O       6.93888431       3.54631006       8.59423347      -1.26048054      -0.90051833       1.15240855 
O       3.25349373       3.50089398       6.47150108       1.30319695       2.37213230      -2.15474300 
O       0.73863678       3.96001802       5.79345815       1.76927930       0.89380341      -0.61294619 
O       9.41210849       4.25448508       8.39763532       0.83562291      -0.54256628       1.23840352 
O       8.65029975       4.20545082       6.14290364      -0.28466152      -0.77527628      -1.53314610 
O       6.14905242       3.78316519       6.12951506       1.93113817      -3.80883670       2.54736901 
O       6.56333581       0.82337030       9.06181190       0.12601829       0.97241841       0.28862830 
O       6.45908440       1.13268042       1.20054452       0.14535458      -0.66672095       1.78641276 
O       9.28417961       1.11293196       8.89641611       0.51851057       0.47041810       0.44016036 
O       6.20932277       8.88667563       1.03237341       0.92848434       1.50685228       1.12608174 
O       8.84827243       9.11022362       6.54434447      -0.01551418       0.32045630      -1.03944789 
O       0.94750749       6.86891159       6.33637909       3.74077002      -0.50450391      -2.10432282 
O       8.85798443       6.58914567       9.13365472       0.47022717       0.77538104      -0.38467527 
O       8.98972573       6.21589774       1.17535384      -1.20960873       0.66874993       0.46820485 
O       9.07711903       6.46891666       6.53273023      -0.16435451       1.12566886       0.08448466 
O       6.11765759       8.85276557       6.17823753      -1.07010217       3.36027640       1.27891665 
O       6.27062581       6.15702296       9.00432567       0.00673527       0.41811498       0.43755106 
O       4.04702657       6.71164626       7.14759300      -2.00452219      -0.84515608      -0.66120423 
O       6.06855814       6.34403846       1.50525307       2.93874518      -3.89730938      -1.40085568 
O       8.63575665       6.66032179       3.77649780       0.74959149      -0.39346275      -1.16114919 
O       9.27458932       1.05117552       1.15482460      -1.30564436      -0.38299736      -0.32389258 
O       8.47662719       9.38037717       3.72798372      -1.58352663      -1.95964990      -1.04972642 
O       8.87782196       8.89530261       0.99391797       0.31941769       0.45127198      -0.88563126 
O       7.02333074       3.04390169       3.52802320      -0.80873266      -0.92514316      -0.81042557 
O       6.67660772       5.31525925       4.34858448      -1.54470021       0.17496344      -0.96771988 
O       5.88409492       7.63061849       3.86361845       0.43795934       0.90346579       1.91894802 
O       9.77921360       1.76662046       6.21084204      -1.04427263       0.99524363       0.55609506 
O       0.68183483       6.68442252       3.86674764       1.43580799      -1.32493086       0.00858120 
O       9.61031498       4.21363246       3.51358288      -1.28456320      -0.78021559      -1.22989343 
O       4.14697575       6.86672059      10.24860320       4.95268471      -0.73444981      -1.11854029 
O       4.40306566       9.32112718       9.25053067      -0.64477950       2.95516610      -1.97288160 
O       4.07836122       2.06222331       9.51392233       1.89074929      -0.97949257      -0.84671355 
O       6.53257994       6.70548543       6.47653082      -0.42416262      -2.36616635       0.49865714 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03675936665496499 3.799593578490944e-05 0.0024937545512335566 3.799593578490944e-05 -0.04039175643924113 -0.0006409857294554776 0.0024937545512335566 -0.0006409857294554776 -0.0281645092021555" pbc="T T T" energy=-924.09943373 free_energy=-924.12591357 config_type=crystal 
Hf       0.02827549      10.32247636      10.27303215       2.31110003       3.67424910       4.75493505 
Hf       5.00868709       2.14545116       2.94278522       5.10103920       0.69869862      -1.45534551 
Hf       0.45073904       2.32945544       7.75625120      -0.00347218       2.39975089       1.59817126 
Hf      10.41866482       0.26389550       5.11457029      -2.08303753      -0.04688597      -0.32429957 
Hf       7.50950635       5.28298934       7.39901666       1.40437006       0.69779929       5.50248640 
Hf       7.37635839       7.82436513       5.05340299       1.73967234       0.11129191       0.02574881 
Hf       7.71473252       2.37248020       0.12179611      -3.21312011       0.14394564      -1.95003713 
Hf       7.82014306      10.21821449       2.05942172       0.19901618      -0.40001952       1.51600256 
Hf       2.21127623       2.47420016       4.49797787       1.34994976       2.28945737       4.48279003 
Hf       5.85457322       2.18860644       7.42724055      -1.54630078      -3.11107151       5.37045575 
Hf       4.92710128      10.13876022       5.16731784      -3.37335202       0.79103707      -5.15189428 
Hf       2.45501540       2.81590589       0.17656647      -0.11102204       0.73652433      -2.38653567 
Hf       2.44323925      10.45625481       2.31290534      -1.60561704      -0.35271093      -3.11024063 
Hf      10.43990252       2.90860732       2.36833883      -4.06406251      -3.01859823      -3.29767380 
Hf       2.63147752      10.14748411       8.15709033       0.72151280       1.02504075      -2.56473492 
Hf       8.04712092      10.13249578       8.07807879       0.34602772       0.15933721       1.31177393 
Hf       2.37495222       5.14555359       7.25491352       1.59479240      -0.46172743       2.62885632 
Hf       4.91539829       4.88134295       5.31069212      -1.99073091       1.32663416       1.32243223 
Hf       9.84491674       5.37812752       5.17736864       2.79456701      -0.07440448      -3.82083240 
Hf       1.96289709       8.20104094       5.14741469       1.33238385       1.83606004      -1.71540473 
Hf       5.03232322       4.84589812      10.02685247       4.76313113      -0.23517257       4.62504830 
Hf       4.97841350       7.72676540       2.35462120       1.04730248       2.06682806      -4.84337231 
Hf       5.09185915       8.10110045       7.97134982       2.67708762      -7.29894115      -4.21844641 
Hf       7.34015329       7.31372781      10.37509194       1.10445963      -1.40886140       1.82633316 
Hf       7.58208809       4.81457362       2.65368460      -1.34701567       0.83525365      -1.34667551 
Hf       2.16418472       5.47544622       3.38899345       2.15744737       0.17133968      -4.89843990 
Hf       9.90028702       7.67780117       2.26073991       0.99317772      -1.00667819       0.97623142 
Hf      10.34469652       5.16761068      10.02632100      -2.44022249       0.55964412      -1.36707731 
Hf       8.12063834       2.57033922       5.38792022      -2.10715023      -1.38073260      -2.87863369 
Hf       0.12601305       7.72348655       7.78136024      -3.80096125       1.70666886       1.71713003 
Hf       5.07149130       0.49606062      10.36679454      -1.36474480      -0.36444938       2.59865195 
Hf       2.38467772       7.28603833       0.13758940       1.52979820       0.11513158       0.73346728 
O       1.19248178       9.11120378       1.09199663      -1.55704767      -1.97820669       0.73641732 
O       1.09952989       6.19893077       1.33777430      -0.15701764       1.32677792      -0.89659375 
O       4.84849646       0.32704928       6.95061682      -1.32598972       5.16238335       2.60634565 
O       0.74572952       1.41005963       3.49861632       3.09294972      -1.34675661       2.56583378 
O       3.43516645       4.41841193       0.53921077      -1.87523746       0.84451846       2.53705680 
O       1.73842180       1.26274232       9.08098304      -1.66425868      -2.04689058      -1.47685549 
O       3.95970120       3.72056790       3.99937815       0.40056101       0.85637568      -1.94026990 
O       5.97686857       3.39903043       0.87711937       1.97385553      -0.30709480      -0.04182775 
O       3.78493869       1.41242290       4.34245579      -1.18686495      -2.40091886       0.69059563 
O       1.82196541       3.45822883       2.56324816       1.81915835       1.79079280       3.49523547 
O       1.58166449       1.21214023       0.93615742      -1.79959616      -0.77214596       1.68423913 
O       3.34230771       6.75307022       2.29166785      -2.03985461      -0.85003562       0.24811126 
O       3.82007644       1.87843119       1.48677458      -0.05645416      -2.14730680       0.76893849 
O       8.91967295       1.34244474       4.08481217      -0.26534258      -0.78548622      -1.12721880 
O       0.88930255       9.61618537       6.80082247      -0.14710369      -1.08135399      -1.45292394 
O       5.84343635       0.19848070       3.38641196       0.59813397       0.94518663       2.16655657 
O       7.08119533       8.55060386       8.96212542      -0.59727328       3.16613822      -2.78922673 
O       1.77914808       1.44239506       6.42309271      -0.59575341      -0.28015776      -1.93527997 
O       4.01921851       4.78614846       8.63297599      -4.20570702      -2.67777923      -6.14921152 
O       1.76857649       8.56542096       8.91170116       0.72369170       1.01844056       1.18744626 
O       0.44770196       3.68147360       0.65099733       1.84990325      -1.17609810      -1.05129913 
O       3.26066412       8.97566900       6.51889099       0.87318697      -0.02834752      -1.36858882 
O       9.71601408       9.22339966       9.04069948      -0.97195305      -2.74325537      -2.32468909 
O       1.10019250       6.37931720       8.95557777       1.29248124      -0.44685320       0.54596506 
O       0.32014201       9.24436409       3.72475061       2.73797600       0.33167536       1.95334409 
O       3.24945702       6.10405823       4.89244277      -0.59125961       1.08706034      -0.20223713 
O       3.38078816       9.77478095       0.77923706       2.15115580      -0.21526102      -0.80990696 
O       3.78099377       9.35733479       3.31281584      -1.21996946      -1.65782896       2.66893975 
O       1.53291419       3.85117100       8.77339524       0.02189367      -0.61632034      -0.61100616 
O       8.65209732       3.53231257       1.17454083       0.11309090       2.69295663       2.23588605 
O       7.46931405       1.12515219       6.61343835      -2.34484897       1.27724864       0.18028951 
O       6.88029651       3.50658602       8.66260832       0.02339233      -0.55158153       1.40555010 
O       3.14648249       3.66619505       6.25860549       1.23331181      -0.25732485      -0.61310777 
O       0.63792263       4.17980194       6.05058851       2.51120948      -0.15249864      -0.55062088 
O       9.47462206       4.30498522       8.46991459       0.16554380      -1.50845065       0.68133778 
O       8.66421582       4.27534369       6.21923677      -0.95324716      -3.17008629      -2.59392292 
O       6.26302222       3.72395748       6.42601801      -0.78775466       1.09766735      -2.65647008 
O       6.60380191       0.84289971       9.12419024       0.19469101       0.81407554      -0.48924890 
O       6.58462406       1.00486175       1.34757610      -1.10705071       3.50377512      -3.05734454 
O       9.38595650       1.13385190       8.86886436       0.23717425       1.25182501       0.25198531 
O       6.18422231       9.12232506       1.01203183       0.60381750      -1.94022958       1.12205233 
O       8.84484265       9.17966319       6.66072160       0.34334660      -1.36810330      -3.29434070 
O       1.29557667       6.99942458       6.34262280      -1.11322631      -2.74963262       1.75131509 
O       8.87895660       6.59654998       9.16859121       0.67369656       0.61036950      -0.45747943 
O       8.97131611       6.30057945       1.20693654      -0.89472899      -1.00526959      -0.21880430 
O       9.15455760       6.39845255       6.48178873      -1.37275941       5.90478192       3.73341641 
O       5.89275120       9.00098705       6.16285923       4.45911527      -3.59291467       1.58629899 
O       6.28000520       6.28927271       9.03648526       0.99201520      -1.32385366      -0.97551478 
O       3.91938718       6.49344724       7.34168889      -0.06065287       2.09137955      -1.46467736 
O       6.15568684       6.13247009       1.49810790       1.81849981       0.26863358       0.89440664 
O       8.41704384       6.52514580       3.71320493       1.45849619       1.34550431       0.39791045 
O       9.56505254       1.18729494       1.28675974      -2.64955832      -2.11015035      -1.27192765 
O       8.30528021       9.29482708       3.65300805      -0.45104452      -2.50285122       1.76159764 
O       8.90764885       8.84763011       0.99050641      -0.00731390       1.20884222      -0.57010107 
O       6.89416538       2.84650257       3.36376760       0.56376813       1.91717747       1.61792111 
O       6.52717048       5.30026789       4.45895475       0.86640328      -1.57338459      -2.29618378 
O       5.80326896       7.52442089       3.96284420       0.29605247       0.99225893       1.90956314 
O       9.75522360       1.92122015       6.15624218       1.97959529      -0.48208308       1.73725360 
O       0.81576828       6.81463827       3.82234447      -0.49712845      -0.61781288       1.13004027 
O       9.63602321       4.39935340       3.34559409      -0.77581336      -0.35183340       1.34195617 
O       4.41785011       6.77622156      10.25409681      -4.21648799       3.45171713       0.98855921 
O       4.60197359       9.29701065       9.20391767      -3.32017202       4.66160719       1.55139283 
O       4.16844904       2.17460769       9.55648627       1.11930355      -2.32472589      -1.64660456 
O       6.55086135       6.74839204       6.51569524      -0.47156184      -0.82768970       0.48718143 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0009727173270209287 -0.002891680036927924 0.009400172181066943 -0.002891680036927924 -0.0153262063253295 -0.011094301844901818 0.009400172181066943 -0.011094301844901818 -0.005861592391299984" pbc="T T T" energy=-934.13624486 free_energy=-934.13637738 config_type=crystal 
Hf       0.06560089       0.00023068      10.01831153      -2.64014389       2.50500572       7.04059211 
Hf       5.29425265       2.30843041       2.10638157      -0.24518272      -1.09218665       1.09683051 
Hf      10.34304370       2.43959513       7.74634002      -0.95508814       2.66699934      -2.42338870 
Hf       0.02250107      10.41493299       4.76880723      -2.88786619      -0.85070365       1.10228660 
Hf       7.37040197       5.22723736       7.88364401       0.98197879      -1.58804718      -1.31145259 
Hf       7.78837616       7.56291694       5.19824138      -0.20668306      -1.54785307      -2.34391824 
Hf       7.98308411       2.48255647      10.23415514       0.55124700       0.31963989       2.26678308 
Hf       7.62046523      10.07090900       2.65050727      -0.15468708       0.05087910      -2.19264863 
Hf       2.75512102       2.84049225       5.25027901      -0.01329339      -2.42529821      -3.37854434 
Hf       5.24412970       2.46743899       7.73865616      -1.65075383      -0.57465763       1.17851924 
Hf       5.08006343      10.10111152       5.14273221      -3.15153327      -0.79602117      -1.49227318 
Hf       2.51606203       2.70600032      10.34650676      -1.86463440      -0.69612654       3.99031654 
Hf       2.84104099      10.41931205       2.27690695       0.67442584       0.82448029       1.72495097 
Hf       0.06522149       2.47654050       2.60556279      -0.63602238       1.27819949       0.71366191 
Hf       2.29031823       0.22035161       7.53258725       1.11168484      -0.12364592      -1.02474895 
Hf       7.65546588      10.34535736       7.58362777       3.48058716       4.23369405       3.89091638 
Hf       2.04471284       5.45670994       7.83537379       5.41286942      -0.53608724       0.08268834 
Hf       4.93874713       5.40218554       5.38945383       2.82166709       1.36858891       1.73310416 
Hf      10.26904631       5.47723605       5.45876038       2.53499716      -3.72705699      -5.90694323 
Hf       2.38247951       7.84533636       4.79208584       0.89561771       1.34060649      -0.58900964 
Hf       4.94277996       5.10426610       0.09001863      -2.01076171      -1.14412784      -1.62942097 
Hf       5.02938044       7.48461835       2.58103839      -0.47555040       3.50406760      -0.37730559 
Hf       5.01787264       7.80780603       7.85155788      -0.73069868      -0.22182938       1.26350480 
Hf       7.57269582       7.31572351       0.26117157      -0.84624405       4.07110104       1.90305561 
Hf       7.61268518       4.96398155       2.81742893       3.05412498      -2.32109178      -0.21974380 
Hf       2.59522752       4.94532116       2.86358602      -0.79615797      -0.74438428      -0.17513695 
Hf      10.39264219       7.73332698       2.45171436      -0.53005034       1.23571364      -1.14752569 
Hf      10.14604836       5.05866016      10.39169698      -1.41133864      -0.73650553       1.43178999 
Hf       7.30328464       2.43200891       5.15082604       9.74221907       5.20351970      -4.07836584 
Hf      10.19392871       8.17060115       7.65167010       0.37700112       1.72863822       1.09183575 
Hf       5.13078494      10.24653623       9.95535765       0.26072347      -2.26990181       0.87043926 
Hf       2.36493240       7.75375836       0.07355321       2.68951361      -1.99413212       0.09310753 
O       1.20435411       8.90507919       1.12793526      -1.11286686       0.27332657      -0.00578139 
O       1.09237090       6.20343605       0.62685850      -0.07131665       2.91343875       0.41193014 
O       3.06553763       0.63975558       5.66584963       0.15098165       1.60678694       1.52197175 
O       0.92490615       0.95017648       3.56897755       1.50019897       3.02867653       0.10200356 
O       3.81881474       3.72046533       1.56888411      -0.57835983       2.00539173      -2.12077910 
O       1.41025462       1.45224187       9.23302909      -0.06478018      -0.45844466      -2.32511214 
O       4.05026911       4.20459113       4.31080841      -3.55194445      -1.11992618      -4.93100039 
O       6.29579043       3.69210904       0.69075999      -0.47528012      -2.14258833       0.58194499 
O       3.33578569       1.97962574       3.12274452       1.01013055      -0.83071136       0.73531468 
O       1.17082847       3.76447486       4.23439740       2.14587811       0.24982949      -2.60816549 
O       1.60931190       1.07525270       1.38224309      -1.76934281       2.07114303      -3.54602424 
O       3.68017130       6.52223986       3.81833435       0.88081687       0.03830575       1.83193836 
O       4.04479392       1.07149805       0.36341252      -0.84041609       2.56468946       3.95348553 
O       8.84842251       1.26112048       3.99090335      -0.57772290      -3.19592177       0.04373258 
O       1.05062908       8.93623351       5.86832267      -1.30908205      -1.57009095       4.32635531 
O       5.30681481       0.35845908       3.13136459       2.40081885       1.70147615      -0.24027018 
O       6.18499367       8.52504404       9.57772313       1.69424551      -0.99457723      -1.47381121 
O       0.34373094       0.79999384       6.61782986       1.18377053      -1.16210626       0.69395375 
O       3.75865314       3.22938473       9.06691710       1.50477464       0.96285230      -0.94881347 
O       1.03756621       9.39355558       8.88693855       3.18289372      -0.95830437      -3.87814990 
O       0.99331303       3.91256542       1.30364266       1.29111546      -0.95063588       1.19741965 
O       3.97324311       8.82415652       6.35038946      -1.93770035      -0.09865575      -0.58153249 
O       9.13522109       9.33063436       9.14157795      -1.59414641      -2.47108700      -3.07059020 
O       1.32935047       7.15988911       8.31460162      -1.44639334      -1.04950713       0.01517265 
O       1.14703178       9.19339181       3.58641434       0.67742186      -2.86258409      -0.96587025 
O       3.98588638       6.51392048       6.75732013      -1.04638726      -2.43268038      -0.35362651 
O       3.83103979       8.93249718       1.36292217       0.60319634       0.25999552      -1.92928303 
O       3.71583142       9.21083332       3.73679867      -0.92879553      -2.66913988       2.77509832 
O       1.20975572       4.36191915       9.24086105      -0.40393254      -1.75989885      -0.89664521 
O       8.71302568       4.09671109       0.90801402      -0.74859712       0.76730523       0.41402859 
O       5.95295456       1.43448418       5.61975492      -6.14307143      -4.01044789       3.12135565 
O       6.22882674       3.73714364       8.73081612       1.88981614      -1.28044170      -0.42614375 
O       4.28066209       3.55503354       6.36144742       1.13966034       0.21420972       2.67698870 
O       1.75072439       2.91324500       6.85562077       0.15038080      -0.34729106       2.58830989 
O       8.98499355       3.86332603       8.64055237      -0.20626531      -0.26154926       1.12843010 
O      10.08956563       3.78184059       6.15508880      -1.03274673      -0.82732304       2.45141674 
O       6.93146754       4.14848759       6.02941507      -1.22006484       1.39075059       1.44688841 
O       6.62942547       1.04725195       9.17460854       0.10761750      -0.30266013      -0.68581894 
O       7.32540725       1.18609813       1.45449472      -1.67102163       0.29574509      -0.52176169 
O       9.28616306       1.28895021       9.03524847      -0.46053778      -0.52197160       0.51574738 
O       6.51535226       8.84289751       1.52548968      -0.40114614      -1.78099211       1.17557102 
O       8.60848467       8.96020749       6.59999043       0.54494447      -0.77962437      -1.94719116 
O       1.89872295       5.65995612       5.77803715      -1.52775397       1.24317474       2.00626187 
O       9.21676462       6.35846539       6.75390239      -0.77923228       3.06544327       2.46781038 
O       8.34257620       6.20260996       9.38521947       1.96088032       0.47586096      -0.81550525 
O       8.95963897       6.15840806       4.02257952      -1.03914355       0.00628835       1.01616224 
O       5.97028606       9.74347257       7.07323693      -0.29966563      -1.28571886      -0.43422647 
O       5.79028825       5.91895867       8.78858997       1.04392281       2.31355174       0.89207983 
O       3.62006349       6.13526676       9.40313331      -3.24025949      -1.06886244      -0.83792016 
O       5.96795210       6.04675348       1.48102978       3.17705796       1.76417200      -1.20316665 
O       9.05650166       6.51735654       1.40913829      -0.94342432       0.04900925       0.26098584 
O       9.68371245       1.95890726       0.97571924      -0.75526196      -1.89002298      -1.66566202 
O       8.95260778       8.42110065       3.84535305       1.37415964       4.38069106      -1.32123402 
O       9.05650124       9.18519322       1.18153905      -0.24833605       0.24152228       1.39091837 
O       6.48941911       3.32489415       3.42620152      -2.01654620      -0.35220908      -0.96250001 
O       6.41802686       6.21994512       3.87228007      -1.23095301      -0.22109721       1.09753175 
O       6.24327617       8.61032358       4.26583933       1.19843915       1.30489899       0.91178841 
O       8.39811781       1.74608557       6.76514152      -1.38943095      -1.88499255       0.36573483 
O       1.06805049       6.48515015       3.63796226       0.68574479       0.63563624      -0.76505592 
O       8.82608209       3.71266424       3.82952041       0.97007308       0.27752741      -1.45128611 
O       3.57383114       6.59948324       1.45607397      -0.74108578      -2.26811799      -0.40898561 
O       3.65007930       8.57883989       9.25175846       1.15537906       2.47828734      -1.92756433 
O       4.20805042       0.72883582       8.53531724      -2.24105658       0.42364485      -4.14883604 
O       6.54661741       6.75421533       6.47264828      -0.94616311      -0.32759858       2.21004268 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00757851401173061 0.012133148909820868 0.0012159239154465136 0.012133148909820868 -0.03470011855012583 -0.018640934315398545 0.0012159239154465136 -0.018640934315398545 -0.022224440881068685" pbc="T T T" energy=-924.09873205 free_energy=-924.09932436 config_type=crystal 
Hf      10.42457205      10.38761977       0.27654484       0.42314990       1.31227251       1.86286756 
Hf       5.29554051       2.56241337       2.18513397      -2.84772676      -0.00319471       0.14741030 
Hf      10.45967328       3.03159072       7.52358590       0.27684294      -6.63984505      -3.38405354 
Hf      10.23368060      10.38758146       5.72420519       1.63181440       0.77235698      -1.70822904 
Hf       7.55660666       5.16202309       7.57803044       1.32688255       1.58480990      -0.07926803 
Hf       8.04002400       7.71235230       4.90574950      -5.29811340       0.15629339       0.04209471 
Hf       7.99971312       2.36633456       9.95228498      -0.20247904       1.93327178       3.06862580 
Hf       7.85683735      10.30141690       3.15832217      -0.00315528       0.52404269      -3.47945009 
Hf       2.77097208       2.42834941       5.13289231      -3.04155975       3.20040235       2.45163420 
Hf       5.01071376       2.30024364       8.05347893      -1.84371885      -2.33364878      -0.88627012 
Hf       5.00958708      10.34330818       5.18214562       0.07450362      -2.27988515       2.75912729 
Hf       2.44121760       2.82536932      10.24767631      -0.02990157      -3.58653149       1.91069678 
Hf       2.84943457      10.08382408       2.48927358      -4.61175697       3.56208144       0.69128197 
Hf       0.16335593       2.68856164       2.41036303      -1.09450847      -6.18182136       2.33397256 
Hf       2.54858511       0.02193810       7.55501004      -1.18687974      -0.78671644       3.98149315 
Hf       7.62573434      10.11464170       7.78863247      -1.36259951       2.58928188      -3.53763505 
Hf       2.44444705       5.25516327       7.43928935      -0.37271044       0.96697001      -6.23970898 
Hf       5.11530721       5.15587619       5.37761258       0.88595684      -0.21916038      -2.86507167 
Hf      10.28263855       4.86251143       4.56288108       0.77680392       1.11522764       1.77504846 
Hf       2.42149133       7.90968172       4.96421830      -0.45223289      -0.60229910       0.11002302 
Hf       4.98028109       5.02431386      10.37416673      -1.46932444       1.30860978       1.51936453 
Hf       4.62791459       7.58366901       2.31416515       2.61448261      -2.81481362       0.64256590 
Hf       5.10264311       7.56411354       7.90624755       0.78287874       2.59747008      -0.42166898 
Hf       7.94108136       7.80115800      10.33224279      -1.05958487       1.94883560       2.29995874 
Hf       7.41230539       4.90001643       2.15562368       2.24779599       0.65644269       0.42039654 
Hf       2.32930075       5.21410060       2.45897361       4.32152749       1.80636433      -2.19529988 
Hf       9.98587322       7.62496120       2.56627760       0.74587558       0.98562539      -1.39496353 
Hf      10.45260891       5.08631688       9.87224755      -0.93210243      -4.07951506       3.91985697 
Hf       7.44557315       2.29983389       4.99097231       1.47418022      -0.08075778       3.30998067 
Hf      10.06193706       7.73112950       7.69019671       0.22346397       1.66658891      -2.11072556 
Hf       5.38646343      10.44041285       0.25934595       1.17569015      -1.59829838      -2.92397960 
Hf       1.94365885       7.68846173      10.31299472       3.64902600       2.04338957       1.40377175 
O       0.93499107       9.06456545       1.51036843       0.37850381      -0.43722742      -0.17994330 
O       1.29799164       6.92655513       2.90622940       1.02326242      -0.25727688       2.33134380 
O       3.96524295       1.07703499       6.61495929       0.75828064      -1.01249045      -2.80584707 
O       0.82565340       1.83789737       4.18298575      -0.17884259       0.62057157      -0.15730186 
O       0.82990215       3.92698313       1.17608606       3.91117150       1.86808455      -3.72217080 
O       2.73659679       1.86662280       8.39271234       0.73346349       0.61561898       1.65385054 
O       3.70408907       3.74607821       3.82199772       2.42872722       0.53455759       1.87192109 
O       3.62617125       3.82306611       1.34652226      -0.08800558       0.12865409      -2.03039466 
O       3.17351700       1.24485632       3.87167617       3.70640595      -4.76719742      -2.49311656 
O       1.41621397       4.06819394       3.53087786      -3.85400271      -1.12087065       3.59596656 
O       1.53672148       1.23917694       1.24883096      -0.28339405       1.02544021      -1.13498779 
O       3.37613101       6.47240033       1.05081286      -0.61254046      -0.55789306      -0.99425260 
O       4.26427851       0.72161927       1.63063700      -0.34966005       1.45998557       1.83212779 
O       8.83105479       0.91716410       4.58140196      -1.86644723       1.75349432      -2.18340588 
O       0.88298149       9.18444018       7.06627628      -0.57096614      -1.98553374      -0.30505865 
O       6.29896546       0.91399033       4.21812299      -0.88167354       4.78118952      -5.20941697 
O       6.21939544       8.58861856       9.73207603       0.97840780      -1.22565859      -2.58637838 
O       1.03772624       1.14965042       6.81444831       1.11710291       0.79887280      -1.15345162 
O       3.53009070       4.91152454       8.76372405       5.73848402      -2.45234965       7.36286326 
O       1.45474957      10.09885689       9.48840908      -0.99056799      -2.33553315      -0.36571802 
O       8.96611713       4.13874303       0.58600149      -1.09837024      -0.33105546      -1.79630484 
O       3.63133182       8.81390927       6.30431494      -0.14575120       0.87107473       0.78644960 
O       8.99225793       9.29240144       8.89025968       2.07652069      -3.41330129       3.75518622 
O       0.62972373       6.34670891       0.76103225       0.82943652       2.26413155      -1.69984201 
O       1.54887096       9.73618736       4.57337010       1.62196698      -2.76262464      -1.12379722 
O       3.74381720       6.35101502       3.71487983      -1.35645074       1.21459876       0.28581596 
O       3.18697580       8.87762132       1.04209829       3.33801863      -1.33178919       0.52204371 
O       4.30020740       9.12535848       3.61178860      -2.02804392      -0.61867169      -0.50267665 
O       1.30000136       3.63898219       8.89823472      -1.80378594       3.79235291       1.67696020 
O       6.43673341       3.85904577       0.64766510      -0.26081801      -1.43899857       0.24938615 
O       6.40216512       0.75828090       6.38413971       1.59269441       4.80657500       2.51761181 
O       6.97641715       3.41785148       8.48425642      -0.54948229      -1.58125261       2.43420583 
O       4.14639027       3.39634522       6.69723598       1.02273710       3.17349892      -1.66256397 
O       1.62825960       3.80838005       6.54580137      -2.19976281      -1.30962440      -2.75924948 
O       9.51907316       4.57972088       8.15706197      -1.76062954      -1.17636162      -0.90932344 
O       9.49062394       3.58948492       5.77417784      -1.06323012      -0.10790097       0.78851371 
O       6.76097283       3.91971760       6.32161662      -1.17812333      -0.28731413      -3.90739626 
O       6.94254309       0.78742780       9.38854353      -1.32938897       0.26448746       0.16815280 
O       6.73511221       1.45491442       1.63565732       0.40035718      -0.70982639      -1.72260575 
O       9.70741882       1.72038487       9.33265360       0.28904473       0.62856217       0.37446246 
O       6.67254328       9.22044380       1.37711193      -1.06052210      -0.75546989       1.97520595 
O       8.60562666       8.92887284       6.40527630       2.65947903       2.92922043       0.84383076 
O       1.49800502       6.71628101       8.12585030      -3.84223474       2.56126153       3.66395369 
O       9.32889687       6.46993743       9.09616081      -2.46099357       5.04159265       1.90325372 
O       8.44554728       6.53530084       1.71692108      -1.05580363       1.35868923      -3.88562896 
O       8.75817226       6.80267886       6.49445670       1.56653744      -4.58504756       1.86393055 
O       6.16595178       9.13437008       6.96625573      -2.61304707      -3.23638082       1.60206160 
O       6.52042826       6.08996758       9.17623164      -0.85365487      -0.16560490      -0.14075728 
O       3.99585753       6.37703766       6.32306535      -2.68518359      -0.68463129       2.01268501 
O       5.48108447       5.64158040       1.82768540       1.27163304       1.32614506      -1.28564644 
O       8.80108085       6.18211756       3.86883387       2.58028642       0.46790348       1.39071887 
O       9.21739719       1.03456409       1.73974368       1.48308517       1.31090060      -0.74569646 
O       9.49093353       9.16645621       3.98926079      -1.28933218      -3.36586306      -0.71915256 
O       9.11432490       9.01005581       1.47387488      -1.91162173      -0.28264002      -3.52532666 
O       6.64668475       3.40778614       3.45976003      -0.17449904       1.36113871       0.38337117 
O       6.27324990       6.91625419       3.86930631       0.11618961      -1.18140946      -0.17248468 
O       6.69494576       9.34389681       4.46332857       2.23273687      -3.21987735      -0.23817062 
O       9.14259620       1.00105017       6.87973458      -2.67608607       1.49736959       2.97426035 
O       1.13033369       6.43233133       5.49308501      -0.08198227       0.29153883       0.39972621 
O       9.26263567       3.89221598       3.19918650      -1.71266804      -0.28844230      -0.78390633 
O       3.75482785       7.42625422       9.35731103      -0.07284526      -0.26662115      -1.75582939 
O       3.97136871      10.12530802       9.36482911       1.59010663       0.64965271      -1.85207794 
O       4.30622892       2.25486838      10.02291655       4.28472404       1.18584168      -0.15651705 
O       6.35958066       6.45638234       6.37830930       0.19965465      -0.78367757       1.83225657 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018424575541028894 0.0056202996742667245 0.0001450977857134888 0.0056202996742667245 -0.013943263127160968 -0.01275956726905199 0.0001450977857134888 -0.01275956726905199 -0.014974397459389019" pbc="T T T" energy=-931.08889944 free_energy=-931.08897577 config_type=crystal 
Hf       0.02874019      10.40750398       0.31179595      -1.33216247      -0.21228687       1.62277418 
Hf       5.28447533       2.63410569       2.18266614      -2.04331235      -2.60770351      -0.13407538 
Hf      10.44133084       3.00011938       7.49655767      -0.95397983      -4.19992174      -2.29291108 
Hf      10.26581989      10.43410330       5.69355335      -0.87215145      -0.82185580      -1.89788228 
Hf       7.62269851       5.13788469       7.47632462      -1.59622419       0.59765988       0.41728641 
Hf       7.91735355       7.65616073       4.86768602      -0.68282005      -1.62802224       3.62149793 
Hf       8.03438963       2.30241412       9.98720693      -3.46249547       1.89007407       3.80547527 
Hf       7.84422851      10.32848030       3.12780137      -1.62459236       0.28510751      -4.73191026 
Hf       2.74885051       2.49288337       5.14722127      -0.30149178       0.32539328      -2.07951741 
Hf       4.99003412       2.15947671       8.03194138      -0.80355429      -0.62535573       1.35647353 
Hf       5.02148296      10.40287656       5.25783174       2.35152268      -3.40556954      -2.17085893 
Hf       2.39637433       2.78783711      10.31545239       3.91141511      -2.69340369       1.45962605 
Hf       2.85937756      10.04690079       2.52475462      -7.84641697       4.47298775      -3.01348775 
Hf       0.21744588       2.75000881       2.39700586      -1.53373275      -4.05597208       1.08838581 
Hf       2.47921985       0.08128941       7.52284374      -1.12345005      -3.70183677       4.38441816 
Hf       7.60513822      10.11580104       7.71361672       1.99694123       1.76027183       0.36881111 
Hf       2.41960783       5.25526563       7.46002205       3.29573499      -1.26425202       0.21758471 
Hf       5.14130379       5.17249850       5.27843215       0.35151558       0.13657086      -1.15616323 
Hf      10.35116819       4.85331572       4.55120425      -0.33391952       1.65994288       1.28992412 
Hf       2.41095605       7.77556144       4.92937077      -0.13520030       1.80812654       1.67468893 
Hf       4.94107784       5.10036336       0.00520149      -0.00337681      -1.42048945      -0.80119851 
Hf       4.65670606       7.49611914       2.32996922       1.27639717       1.03024980      -0.34194711 
Hf       5.15413440       7.58938250       7.92261103      -1.28443457       0.78259173       1.72967839 
Hf       8.02300387       7.80165766      10.29632426      -0.32019343       1.80418074       2.22919683 
Hf       7.42266431       4.85663728       2.24142569       2.95760867       1.41402991      -0.95759274 
Hf       2.30881567       5.24250273       2.40439929       2.52122194       1.70707673      -0.99999058 
Hf       9.95136270       7.64142610       2.54624257       1.40749990       3.64305124      -2.32354862 
Hf      10.40080373       5.11584496       9.90373417      -0.75706518       0.34068196       4.25853968 
Hf       7.39165296       2.34099557       4.99080852      -0.60670705       0.39205966       1.96266318 
Hf      10.10347573       7.76870001       7.67924341       0.59397523       1.73054827      -2.31130649 
Hf       5.40767831      10.39247201       0.27144937       0.21639779      -0.33887539       0.76390712 
Hf       1.99064193       7.69290672      10.23270096       1.28620869       4.50905627       1.92798361 
O       0.78193273       9.20839218       1.73571304       1.92778885       0.28233191       0.37625193 
O       1.23463565       7.00075264       2.77538118       3.39288471      -2.26173229       4.03006986 
O       4.01693824       0.85632606       6.59242577      -0.66734166       2.51737423      -0.27892256 
O       0.74858229       1.99643519       4.19154752      -0.58031715      -1.87785887       0.07338350 
O       1.16474865       4.19144370       1.17667635      -2.44889375      -1.95264362      -2.30178532 
O       2.79910355       1.73507879       8.61405059      -0.30563300      -0.41371109      -0.99048388 
O       3.98830020       3.57152377       3.94060583       0.54642855       1.12361644       1.14159795 
O       3.52299189       3.88835814       1.25525962       1.55108861      -1.09121384       0.86778500 
O       3.20353772       1.04375435       3.92281622       1.16775300       0.66713516       2.84672382 
O       1.47619356       3.96090545       3.67676287      -0.09935447       1.98215855      -0.25923010 
O       1.41976201       1.23321633       1.15379033      -0.16416543       3.06696479      -0.35614365 
O       3.36165908       6.26728793       0.94318516      -0.09903549       1.05996337       1.43894492 
O       4.15544154       0.80094396       1.76011268       1.39201835       2.03224719      -2.01488426 
O       8.66356608       1.05796955       4.45326218       2.52505507      -1.13477842       0.34379443 
O       1.01462001       9.07584707       7.03623075      -1.06439932      -0.44351214       0.68684371 
O       6.21064873       1.03958085       4.00301013      -1.54113287       0.25453661       0.84847667 
O       6.27884942       8.57642052       9.74485537       0.82753215      -0.57404193      -1.87234247 
O       0.88543236       1.10820364       6.88654107       2.68308308       2.64821318      -0.04487463 
O       3.76355049       4.79522727       9.02980636      -3.39295664       0.76755940      -3.10044783 
O       1.51350159       9.89122664       9.61779047      -0.20894640      -2.13350903      -1.35190384 
O       8.80347835       4.20529676       0.66123296       1.57772172      -0.18863625      -1.68737857 
O       3.59986174       8.65512467       6.35589510       0.52064474       1.01698918      -0.15759897 
O       9.10981387       9.06364903       8.85629717      -1.43541516       1.08674629       1.78837680 
O       0.63900160       6.62888321       0.70239066      -1.62535786      -1.86545998      -2.46802185 
O       1.55617867       9.70039223       4.89933121       1.24404388      -1.81102635      -2.59131353 
O       3.59113690       6.38896913       3.68932713       0.07949368       0.58606609       0.94109315 
O       3.37094689       8.88489680       1.02780638       1.67257193      -1.78451950       1.11408016 
O       4.12306226       9.26095846       3.51389949       4.03831626      -5.08853062       4.31819424 
O       1.31353175       3.55045468       8.90743440      -2.78837214       3.87674499      -0.20116766 
O       6.40883502       3.58876254       0.66245949      -0.54528235       2.09333119       2.40149257 
O       6.52574834       1.04523114       6.51575563      -0.80856592       1.22701201      -0.26912385 
O       7.17637338       3.37587721       8.55097394      -0.31964920       0.25948703      -0.75149830 
O       4.11476685       3.47564092       6.74153951      -0.31497959       0.61967197      -1.05578887 
O       1.54654076       3.78729306       6.33827954      -1.20496600       0.61836940       0.68822647 
O       9.42595946       4.59148196       8.28183865       0.52099908      -2.08341305      -0.87690449 
O       9.45444030       3.81625827       5.83069501      -1.90912635      -1.45424836       2.41890243 
O       6.57422432       3.89281162       6.11588525       0.45186554       2.31844544       0.30495659 
O       6.65785721       0.92986682       9.37087711       1.16603192      -0.31731532      -0.88384679 
O       6.67312510       1.32444497       1.80103898      -0.23423937       0.33386173      -2.09435830 
O       9.64043419       1.54048994       9.45069130       2.54122241       0.32401101      -0.40785571 
O       6.57008284       9.28399760       1.50198720      -0.96523058      -1.84376079       2.56256836 
O       8.77965131       8.99054754       6.34040669       0.44891769       1.92134379       0.51968418 
O       1.42718077       6.68882712       8.36922807      -1.73211628      -0.75958532       0.79663327 
O       9.35194490       6.69870920       9.11433045      -1.33834923      -1.07661619       3.39900886 
O       8.59813066       6.67542431       1.68448381      -4.68902037      -2.87686467      -3.61578236 
O       8.76429153       6.76566556       6.64832700      -0.07846488      -3.20631653      -0.70171096 
O       6.04234093       9.15326430       7.21578417      -1.00389272      -0.01258869      -1.37956203 
O       6.36020602       6.12587670       9.15045527       0.63265893      -0.81564839      -1.11398098 
O       3.91491780       6.27913379       6.44367156      -1.54697845      -1.61322633       0.47233864 
O       5.58744744       5.83935547       1.74683683       2.48126546      -0.49213598      -0.02149855 
O       8.80704941       6.13671633       3.93505268       2.02692204      -0.48705284       0.18983291 
O       9.00834510       1.09120350       1.75011736       2.96711571       1.02624871      -0.44905471 
O       9.55988349       8.95355612       3.98290184      -2.62918168       0.12402682       0.13273138 
O       8.98686417       9.03422749       1.20577375      -0.13842637      -0.25947930      -1.76636818 
O       6.49213666       3.53596192       3.59588772       0.71719581       2.11742922      -1.24410122 
O       6.23831979       6.87868283       3.82583735      -0.62645365      -2.18615072       0.11200296 
O       6.70839012       9.07065018       4.62603915      -1.07373363       4.00997028      -1.02770906 
O       9.10014728       1.00031041       7.04733277      -1.41648554       1.30056224       0.11555619 
O       1.12978484       6.35070847       5.49747433       0.06866589      -0.02578991       0.80470427 
O       9.14439011       3.80173998       3.23393523       0.30683504      -0.25381852      -0.72164680 
O       3.63212872       7.45961031       9.49359979       4.48317266      -0.67175179      -5.11983770 
O       4.25363805      10.16763793       9.26859334      -1.06785624       0.61384706      -2.85661517 
O       4.43517900       2.62930725       9.89116667       1.63530294      -0.18968231       0.72712526 
O       6.34896396       6.62872894       6.39236070      -0.04420587      -1.88382922       0.57614298 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010948955472362864 -0.004432951085288986 0.014968531245965365 -0.004432951085288986 -0.024846221804262145 0.009383061882711503 0.014968531245965365 0.009383061882711503 -0.01311964295765612" pbc="T T T" energy=-924.80750277 free_energy=-924.80763357 config_type=crystal 
Hf      10.22921069       0.20943379      10.16441989      -0.59087411      -0.23114611      -0.41010557 
Hf       5.10086720       2.64779851       2.73450355      -3.39140135      -2.32321692      -2.82271408 
Hf       9.65680469       2.46288546       7.69720404       2.06477252       0.37111754       2.87297886 
Hf      10.34852098      10.32880716       5.45048119       3.11936358      -3.27468627      -2.89544174 
Hf       7.69209266       5.24078407       7.77461666       1.00519504       2.80339444       0.61008751 
Hf       7.59187137       8.07179907       5.14127448       4.91931718      -0.54059656      -1.21281038 
Hf       7.16023691       2.21347005      10.41671800       1.01203542       0.79144054      -2.85752232 
Hf       7.86134033       0.42633333       2.76801957      -5.08459360      -6.92166464       2.11277095 
Hf       2.78391616       2.68957289       5.24892667      -2.81710451      -1.18942094       3.07592306 
Hf       5.21150185       2.98353841       7.42522874      -0.74646657      -2.84661385       4.01209770 
Hf       4.84718138      10.20716354       4.76917428      -0.51555728       1.72768063       2.42522307 
Hf       2.23576861       2.58716185      10.00829088       0.63961595      -0.83198772      -0.44510827 
Hf       2.26735330       9.86596312       2.80619838       2.14978506       0.81517771      -1.92402393 
Hf       0.07859718       1.81051926       2.56540388       2.43342100       1.84201425      -0.69866306 
Hf       2.43831281       0.11833703       7.66935924       2.18023377       1.31324478      -1.59307585 
Hf       7.41971713      10.26317466       7.61277027       0.39215227       1.36515631       0.97158662 
Hf       2.41720824       5.24690596       7.81492681      -1.25192889      -0.31031572       1.32723106 
Hf       5.13307672       5.37890526       5.24345641       1.92537795       3.27883622      -1.96285274 
Hf       0.08149737       4.57674178       4.78450433       0.28076493       1.98804118      -0.05010624 
Hf       2.38844556       7.44909743       5.15174099       1.00571453       3.45578991      -0.83438223 
Hf       5.20765185       5.51111346       0.28955956      -0.62483435      -0.66236803      -5.75779228 
Hf       4.80021692       7.88746271       2.28762078       2.93726104       2.47744428      -0.72989083 
Hf       5.36486265       7.68032813       7.82603030      -0.04632188      -1.75800282       1.01629919 
Hf       8.21718474       8.10928534      10.24186914      -1.22688887      -0.53834614      -0.14745492 
Hf       8.04581380       5.41606194       2.73604051      -0.53917713      -1.70018673      -1.63040134 
Hf       2.86089181       4.86711143       2.53945231      -1.90006903       1.29502826      -2.04216474 
Hf       0.33468741       7.15453377       2.61481429      -3.29351925       2.10977450       2.52034602 
Hf      10.00212932       4.82092566       0.17105214      -0.61532209       0.76163364      -2.96577177 
Hf       7.65559012       2.32550696       5.34755041       0.69351385       1.68761836      -2.11741282 
Hf      10.26320135       7.71476182       7.62064473      -0.25924430      -0.76884555      -0.46645860 
Hf       4.89085997       9.90919219      10.09246445       1.15774777       1.26120009      -4.09828697 
Hf       2.41035466       7.94458639      10.46436255      -4.63743452      -1.98492066      -1.66003170 
O       1.70744446       8.35299740       1.82391244      -3.10844481      -2.65247742      -1.08513782 
O       0.91033040       5.81443692       1.36416744       1.91114384      -3.00039849      -2.20441786 
O       4.15900476       1.47282407       6.07335364       2.14597060       0.57863439      -1.24495628 
O       1.29627707       0.57802593       3.76277170      -5.71475649       3.77887024       0.40118648 
O       3.25872055       3.41532201       1.11190052      -2.00514568      -0.17513557      -0.09086560 
O       0.74264052       1.20626147       8.23427814      -1.25949453       0.72875038       2.65579070 
O       3.71410481       4.03218864       4.08747352       3.28777011      -0.26821412      -1.85831508 
O       5.32739607       4.33328897       1.70824596      -0.30675265      -2.61770601       1.57483242 
O       3.76630927       0.70768718       3.04246248       3.45813331       3.66594797       1.26339969 
O       1.52177742       3.22478065       3.38010314      -2.28464545       0.03082404       0.45662006 
O       1.60840040       0.80763709       0.95115266      -3.20063930       0.29953145       1.00279529 
O       3.45483610       6.56149072       1.35620925       1.56620876      -1.01698991      -2.45023259 
O       3.51707053       1.01047843       9.72129710      -0.46447036      -1.99612682       0.76060341 
O       9.10777474       1.09968531       3.98751461       2.77374475       3.28875467      -0.03062721 
O       1.11734106       9.36513137       6.87301047      -3.54723429      -1.76732083      -0.01036540 
O       6.56282684       0.91339229       4.62243616      -0.35997071       0.15430985      -0.73079502 
O       6.74264191       8.86822027       8.77779544       0.45180038      -0.25012473       2.15192657 
O       1.29608826       1.47544879       5.84958032      -0.98536304      -0.10590283       0.97898786 
O       3.70525250       5.08918420       9.30471199      -0.97164183       0.15536769      -0.53036184 
O       0.91022207       9.27136542       9.39545227       2.75371737      -1.44066999       1.32369714 
O       0.11380444       2.90568788       0.55912073       1.56620464      -0.18487111       0.63811536 
O       3.12281066       9.70161792       5.92999046       0.83374549       0.31822922      -0.11940426 
O       9.03538725       9.46115353       8.72682693       0.97738464      -1.21977551       2.67177308 
O       1.27170411       6.66003753       8.63141601       0.85893866       1.27092905       0.30518450 
O       0.85567496       8.58957999       4.21268402       2.67495514      -0.25533451      -0.66484859 
O       3.86565099       6.79818101       3.60108189       0.48005247      -4.15551416       3.71110163 
O       3.57677633       9.21508123       0.96565892       1.29036079       0.50853393       1.79896531 
O       3.65168952       9.00866202       3.91335530       0.21327885      -3.64728071      -2.85607949 
O       0.85867070       4.13050750       8.66379717       0.36333071      -1.34636240       1.98971045 
O       8.31586301       4.25352344       1.01709098      -0.71549895      -0.39849820       0.49311214 
O       6.96715111       1.89096185       7.33848697       0.70993204       0.42374130      -2.89589185 
O       5.95827401       4.05953399       9.21876450       0.83571592      -2.27274797      -0.30214928 
O       4.19154627       4.20840648       6.34617482      -1.41736535      -0.57183765       2.17710473 
O       1.80725778       4.20141736       6.21385380      -1.16579998      -0.56722384      -2.86702338 
O       8.64688107       3.87767759       8.88690934       0.67951133      -0.82617835      -0.16659500 
O       9.56676879       3.87392693       6.31778348      -1.59267021      -1.63894668       0.70013922 
O       6.74426585       4.02670801       6.17246448      -1.10405134      -0.48515508       0.53774303 
O       6.11883650       0.88041580       9.16046441       0.30523542       0.84101480       2.47037173 
O       6.23187021       1.37504318       1.47376352      -0.73461948       0.47607475       0.38053675 
O       8.61335438       1.36996278       9.19876139       1.08980880      -0.27646926       0.54667928 
O       6.13847246       9.08541663       0.89093025       0.88064753      -1.01439175       0.03936730 
O       8.87618139       8.92210414       6.54733875      -0.30287666      -0.60499798      -1.99185902 
O       0.82533303       6.65158576       5.80644053      -1.41937165      -0.98252677       4.07147937 
O       9.13111782       6.48112339       9.21563029       1.12762452       1.21537551       0.32601586 
O       9.18459623       6.78283013       1.38365226      -1.52813738      -0.23232035       0.04677995 
O       8.77808672       6.53690321       6.59700840      -0.09466369      -0.42713081       0.91619114 
O       6.40792969       9.23328174       6.01435515      -1.41769248       0.58936490       1.80306532 
O       6.73291871       6.62217836       9.11054577      -1.60590105      -2.04601852       0.73163460 
O       3.79059180       7.17837493       6.63945941      -1.23498787      -3.06843221      -1.54441773 
O       6.32593372       6.42677398       1.53483066       0.85461541       3.61802892       1.42726490 
O       9.41799186       6.21192027       3.99248448      -0.38518092      -0.01512375      -0.66023310 
O       8.75320521       1.19020716       1.36061605       2.56089225       3.65709886      -2.39474142 
O       9.10391794       9.21306335       3.94523859      -3.04621393      -0.33345864       0.35574617 
O       9.26582472       9.42361420       1.07421309      -0.12992099      -0.94988145      -1.75687203 
O       6.66092077       3.03944414       3.45986145       2.83513961      -0.39719239       2.65816971 
O       6.51080354       5.32933943       3.88357572      -0.39732156       2.36467316       0.90509437 
O       6.38326274       9.14892417       3.51062011      -0.98402456      -1.90355065       0.02968923 
O       8.82768258       0.68426037       6.24768966      -1.12070361       4.91841694       2.69744140 
O       1.45975932       5.82540727       3.75921476       1.62922834       0.30916182      -0.73075235 
O       8.88896229       3.69806368       3.77238082       2.72198781       0.25267172       0.00525107 
O       3.82994973       7.78923669       9.30550386       3.31300782       0.09864761      -0.35241220 
O       4.68992725       9.39644488       7.78934355      -2.37740038       5.12139649       1.68562444 
O       3.12864683       2.45889386       8.00334311       0.39765526       1.60136209       0.10620359 
O       6.34653873       6.39440433       6.49298118      -0.98126116       1.39736199      -0.96420623 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02911360619948949 -0.007648362915120625 0.009846668997156298 -0.007648362915120625 -0.04038600048207619 0.004687519329953763 0.009846668997156298 0.004687519329953763 -0.04413393064286063" pbc="T T T" energy=-922.51955635 free_energy=-922.51962835 config_type=crystal 
Hf      10.14371115       0.20121510      10.14723418       1.86553639       0.44531702      -1.65479078 
Hf       5.05844142       2.66062087       2.80326858       6.52000525      -3.84088889      -0.09067531 
Hf       9.76744268       2.46579747       7.67542377       3.42369451      -0.52021266       5.21057609 
Hf      10.43912457      10.25095286       5.42220864      -0.61280541       0.74049014      -1.54489992 
Hf       7.83525730       5.20855477       7.64277718       0.12263687       1.21737497       1.70183440 
Hf       7.58716461       8.05570111       5.12022067      -0.61952862      -3.17271631      -1.28803918 
Hf       7.25016155       2.04976194      10.33152209      -1.60359114       3.51878857      -1.05999895 
Hf       7.70677203       0.33751465       2.75877561      -2.41932038      -1.51954177       0.69814053 
Hf       2.84543836       2.81753799       5.31139660       0.48519090      -3.50159286       0.91475600 
Hf       5.26306693       2.95941580       7.38979500      -2.35050770      -3.63160485       2.90693703 
Hf       4.83342094      10.05775341       4.76949004      -2.00929538       2.41376687       1.13764469 
Hf       2.28629178       2.64563285      10.03451237      -3.37924852      -2.71622551      -4.73690743 
Hf       2.38576746       9.89500965       2.84999032      -2.35166938       3.29793706      -0.55484613 
Hf      10.37987520       1.86647136       2.50727314       2.15814792       3.39963927      -1.43013719 
Hf       2.54312134       0.20793493       7.75149191       0.07466917       0.96837654      -0.30761519 
Hf       7.53039113      10.41718773       7.68333193      -0.37030295      -2.28158011      -2.05458770 
Hf       2.43391345       5.22544293       7.88251669       0.54238408       0.02681329      -0.70726370 
Hf       5.19330301       5.45713383       5.24477724      -3.89504867      -0.23738365      -0.01818558 
Hf       0.02735006       4.60014284       4.74457096       2.22578248       3.66374712       2.14775226 
Hf       2.30507484       7.58376268       5.14514750       2.12808582      -1.50509111       2.17998873 
Hf       5.16397577       5.50692133       0.30460724      -0.82696718      -1.28434380      -1.91350830 
Hf       4.82707183       7.94456137       2.24145531       0.35043247      -2.65766981      -1.13216111 
Hf       5.38214382       7.55747326       7.82536475      -3.11078194       2.85655718       3.05139456 
Hf       8.16491173       8.03956579      10.36566430      -2.61436524      -2.85754486      -0.22341800 
Hf       7.98704870       5.50074324       2.71392344      -2.21060785      -4.03594780      -1.44008280 
Hf       2.80065224       4.79053140       2.56667552       0.25394692       1.42732454      -3.29291323 
Hf       0.35257498       7.22492608       2.65983119      -4.73584983      -1.66964665       0.16930609 
Hf      10.03557699       4.88010982       0.31266464      -2.94628430      -2.89985264      -3.06102754 
Hf       7.60385914       2.29771920       5.41296416       3.40848420       3.91411623      -8.65358327 
Hf      10.32510976       7.70217883       7.61014462      -2.12858546      -2.95656583       2.11512327 
Hf       4.78642885       9.91961139      10.15119553       2.24678826       2.65543974      -4.22193086 
Hf       2.28455952       8.02053866      10.38573292       1.71477144      -5.28409948      -1.94892640 
O       1.85245230       7.99809557       1.93884021       0.58311851       2.14438417      -1.89228906 
O       1.10683100       5.62667800       1.08375544       0.54371379       1.47509355       1.07495237 
O       4.23616828       1.45582843       5.96192535       0.74404295      -0.15939304      -0.64617904 
O       1.15386527       0.95950574       3.76479209       0.68722023      -2.53932272      -0.23948342 
O       3.30051774       3.66805112       0.65230183       1.00645283       1.36043131       3.25480707 
O       0.69476101       1.46494344       8.66727959       0.90580868      -2.60290059       2.14007070 
O       4.09585998       3.90902795       3.91968840      -2.28225631      -0.78154082       2.89589050 
O       5.29237689       4.20710825       1.89469619       0.79924980       3.59141738      -3.95580150 
O       4.05410298       1.02619092       3.31298926      -3.25494504      -3.17787427      -0.34752382 
O       1.33719123       3.27454168       2.71831537       1.85475909       1.60208747       2.01232711 
O       1.01872611       0.48296510       1.24555117       0.73825048      -0.74147045       0.28244190 
O       3.62363341       6.29930687       1.22879311       0.12168128       0.85652056       0.30475273 
O       3.39797627       0.84967668       9.61228043      -2.46741004       0.14588949       2.49190503 
O       8.95441089       1.40542949       3.92303695      -0.46132935      -3.56690847      -0.78570857 
O       0.65372199       9.19572075       6.87660016       4.51659697       2.94088808      -3.00543683 
O       6.39133218       0.89644814       4.30717067       1.64181211      -0.94579181      -0.00832424 
O       6.96883470       8.84012868       8.78505218      -0.22266889      -0.40391758      -0.15095243 
O       0.80490845       1.36784725       6.08372596       2.30969230       2.15674760       1.46991347 
O       3.83654082       5.28217476       9.15563625      -1.01650507      -2.46434578      -0.73450864 
O       1.47907773       9.19422084       9.21172451       0.18500257       3.50077312       0.51856538 
O       0.20484876       2.89670076       0.51781169       0.98161474       0.85650380      -0.24199298 
O       2.81801723       9.75169691       5.70787457       0.87202692      -0.83989930      -0.00144094 
O       9.71965820       9.64394393       8.43668608      -4.12171422      -1.45104020       2.79321369 
O       1.51578092       6.86204451       8.64271887      -0.44627740      -0.76375794       0.83353798 
O       1.08500584       8.74519595       4.01690631      -2.03912799       0.17812468       0.10881799 
O       3.74114486       6.43093042       3.70375426       1.49588990      -1.22003827       2.03185280 
O       3.58504181       9.18589644       1.11514640      -0.10626054       1.70497551       0.43205152 
O       3.65418498       8.61998210       3.79732314       0.72824283       2.72143057      -0.37928451 
O       1.05630364       3.87724440       8.59562045       0.50860132       1.62545314       0.82293486 
O       8.35775313       4.03520165       1.40921731       0.83660287       0.75038873      -2.08037671 
O       6.83555591       1.83445734       6.93797543      -3.32287435      -3.93562895       4.11759854 
O       6.09193554       3.65339457       8.89186143       1.70389860       1.31715622       3.60176575 
O       4.14263615       4.21497894       6.50196463      -1.19750165       0.70320112      -2.04759079 
O       1.93454436       4.42574016       5.53881132      -1.29725225       0.49282897       1.40182898 
O       8.71418994       3.81017469       8.89763050       0.12637010      -0.19874849      -0.17902573 
O       9.58044717       3.66251618       6.29075975      -1.64972447       2.90246894      -1.76886336 
O       6.72967104       4.10265715       6.32814418       0.69172733      -1.32925905      -2.09369650 
O       5.80306194       1.19962663       9.32617754       0.89486322      -2.10848653      -0.81803469 
O       6.09071257       1.21841388       1.26168900       0.91265985       0.15694030       2.64053659 
O       8.27587092       1.08656614       8.89769319       3.10773438       2.70353329       4.28259432 
O       6.13284122       8.99599792       0.84752943       1.18736469       1.27147154      -1.60865905 
O       8.79651644       8.94413036       6.15008868       0.26018174       3.72772198       3.61591236 
O       0.72148949       6.72632762       6.13995771       2.34370398      -0.77042567      -1.86062166 
O       9.18393717       6.49084963       9.13713306      -0.54773534       1.08646767       1.34203185 
O       9.06739980       6.60676813       1.43863592       1.28328544       0.93702649      -0.95504984 
O       8.78574065       6.66356307       6.49346482      -2.07323802      -1.70836479       1.28049094 
O       5.88357088       8.95646373       6.01993709       2.12592400      -0.99146454       0.97471489 
O       6.26228907       6.36024914       9.31202169       3.09282109       0.17526561      -1.54220807 
O       3.72269337       6.62424721       6.58678941      -0.55738505       2.12662027      -1.14844308 
O       6.31301811       6.84342545       1.53987149       1.56901176      -3.53517544      -0.44813426 
O       9.27001853       6.05911909       4.04987809       1.18121640       2.68262247      -0.14598442 
O       8.86619653       1.24089026       0.98331498      -1.56031450      -1.42387797       2.11512214 
O       8.74719531       8.97411446       3.88333730       0.40292265       2.08937105      -3.36594206 
O       9.50276986       9.03802160       0.84774933      -0.04467889       0.59929166      -0.32668640 
O       6.97764232       3.17369115       3.47606459      -2.01810690      -1.49633937       1.11528352 
O       6.50612892       5.55930822       3.92235592       0.24657010       2.55499501       0.91685082 
O       6.21499838       8.81071185       3.24043819       1.19070108       2.37602182       3.94988196 
O       8.91197464       1.09983874       6.60518585       0.07426466      -2.79789115      -3.31746249 
O       1.46775247       5.88284546       3.55908437      -2.22804769       1.43134578       1.46341868 
O       9.36606778       3.62450221       3.79903028      -1.42581975      -2.37900535      -3.43223360 
O       4.07512340       7.40348646       9.33352104      -1.08086681       4.63263046       2.33787422 
O       4.33085976       9.78922274       7.93876802       0.33337292      -1.69282496       1.25128230 
O       3.17789616       2.46636191       7.91592271      -0.82764629      -0.06395916      -0.08926324 
O       6.19102325       6.25989011       6.72888074       2.20645192       0.60739846      -1.13330309 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03415016055638102 -0.00818428853583731 0.000551731955468564 -0.00818428853583731 -0.04777323206213146 0.0006801931047126662 0.000551731955468564 0.0006801931047126662 -0.03748776914495843" pbc="T T T" energy=-923.33372124 free_energy=-923.3338165 config_type=crystal 
Hf       0.09054864       0.06970719      10.39718640      -0.07517289      -3.15523426      -1.41661584 
Hf       5.14704481       2.08872708       3.04041917      -0.86063057       2.30061200      -2.45826797 
Hf       0.35495531       2.25362007       7.82834113      -0.68405374       4.91098839       0.84122463 
Hf      10.44613943       0.14499130       5.04089357      -1.83965288       0.98667941       0.32483230 
Hf       7.45987479       5.28529818       7.48344363       1.38187091      -1.35427477       3.61114507 
Hf       7.32797974       7.80751706       5.17094302       2.52195374      -0.48325360       0.13584985 
Hf       7.84657660       2.48808012      10.40859163       1.05202583       1.53371565       0.19328608 
Hf       7.98367157      10.29002183       2.13398701      -2.18378550      -0.24724221       1.92604353 
Hf       2.12760409       2.57440240       4.62560742       3.49049873      -0.98095319      -1.34435986 
Hf       5.75551765       2.09580673       7.57087596      -2.55471004       3.68935464       3.82645622 
Hf       5.11761218      10.16651449       4.95650178      -3.23719292      -1.77216439       4.14416595 
Hf       2.42710121       2.94163750       0.06676190       2.01573013       0.26060825       1.52013680 
Hf       2.32935904      10.16369260       2.32506518      -1.00979457       2.42029222       0.37264769 
Hf      10.45804306       2.89420206       2.28231693      -1.92709837      -0.66591212      -0.14286365 
Hf       2.69825167       9.98893940       8.13183110       1.16106647       0.67943035      -3.92639367 
Hf       8.03828389      10.15758944       8.18501468       1.06277166      -2.80482345      -3.47458703 
Hf       2.42401651       4.99415917       7.31830102       2.71042608       2.52152804       1.70995558 
Hf       4.86803769       4.86722771       5.32780613       0.91661908       0.93944650      -1.36413188 
Hf       9.75680902       5.49107833       5.39423929       2.89490991       4.76574735      -3.95866978 
Hf       1.96553321       8.19356902       4.96188088       5.43486887      -2.78051493       0.03571641 
Hf       5.09241920       4.80237526       9.92558885       0.23042319      -0.92646906       1.13929501 
Hf       4.97071299       7.78441020       2.45767486      -0.04339950       0.60700981      -2.61138640 
Hf       5.00172037       8.05718951       7.71240473       2.64659371       1.61154168       1.42692228 
Hf       7.28060595       7.36639488       0.03555075       1.58210044       0.24002575      -0.66301261 
Hf       7.66887549       4.89435505       2.60911889       0.04704200       1.53278071       0.64016405 
Hf       2.24849069       5.59360240       3.44295110       1.44908012       3.32682463      -2.05814358 
Hf       9.85950777       7.54890929       2.27585457       0.22952995       0.33134592       0.66111651 
Hf      10.45398867       5.24979411       9.91757477      -3.27641801       1.43781246      -0.84289062 
Hf       7.98401623       2.60063918       5.24476793       0.43705862      -2.60428713      -0.19596973 
Hf       0.11916187       7.72848176       7.74392599      -0.66050659       1.62637288       1.34262812 
Hf       5.10334989       0.47339533      10.39767580      -0.39817969      -0.07372065       1.69605409 
Hf       2.22680452       7.29236117       0.07383391       4.77110039       2.97770355       2.59104440 
O       0.86144100       9.15430506       1.41258994       1.32172888      -1.18622269      -1.65457637 
O       0.99895033       6.42599415       1.31048169      -2.47287930      -0.38716399       0.71987684 
O       4.58655018       0.69394423       7.12901759      -0.89081345      -0.54466913      -3.37233643 
O       1.27884216       1.26771994       3.40331404      -2.00824178       1.06184173      -2.12956229 
O       3.09423993       4.83245010       0.48657259       0.80409598      -2.62768948      -2.05473276 
O       1.44415181       0.87747846       8.58512861      -0.51072329       1.37653130       1.78912161 
O       3.94461962       3.76082477       3.67776721       2.16001542      -0.49322009       0.60621122 
O       5.85148831       3.39467251       0.87640160      -0.62119214       2.24048491      -0.03970976 
O       3.70263417       1.08200099       4.41834265       1.85006825       2.08238172      -0.83270941 
O       1.77287569       3.98543968       2.69116166      -3.03814847      -5.82792477      -0.68698807 
O       1.42193741       1.18214504       0.84752744       1.31948134       1.69467788      -0.26442724 
O       3.36955384       6.69507502       2.22207160      -0.55818939       0.50954680       1.25681775 
O       3.75442281       1.80877549       1.59758055       0.76193712      -0.65681365      -0.55110763 
O       9.05078125       1.19229370       4.06220026      -1.34690493       0.45824865      -1.57746039 
O       0.85774528       9.10063721       5.99825186      -2.85205305       1.69619320       7.14780667 
O       6.18799506       0.11131055       3.50614257       0.07655002       2.02370331      -1.55082329 
O       6.84483619       8.60078301       8.45882554       1.84239147       1.23989793       3.60264889 
O       1.54678316       1.18155517       5.76774981       0.17793993      -0.44863482       3.40408369 
O       4.38550484       3.96994782       7.88389687      -0.33217667       1.78541027       1.38211660 
O       1.50537521       8.90998376       9.20211005      -0.16462595      -1.70916856       1.22394273 
O       0.21403976       3.64297536       0.45005278       1.74033795      -3.05809600       3.05343753 
O       3.27987379       8.66909129       6.81432146      -0.29982037       2.55773430      -3.05103014 
O       9.47886296       9.06839419       9.04594974       0.25158179       2.52376602      -0.85677701 
O       1.40503900       6.38407900       9.12901024      -1.17844659      -1.56710166      -2.81974764 
O       0.64308938       9.33256004       3.70917355       1.21307570       0.02560436      -0.86011176 
O       3.25892119       6.25342210       4.97251130       0.58696718      -0.47045578       0.33650481 
O       3.65687824       9.74587320       0.97057018       0.40356362      -0.63443784       0.65878265 
O       3.63180133       9.12654566       3.85831282      -1.39195741      -0.01131729      -1.40914614 
O       1.71938482       3.78545153       8.87089941      -0.41054919      -0.94529275      -1.38054065 
O       8.34757162       3.25959877       1.80504460       3.15551752      -0.65513010      -2.06394067 
O       7.12853950       1.27475731       6.48507281       1.69499893      -0.79903244      -1.38754183 
O       6.80964778       3.47843257       9.15434996      -0.69611310       2.90942030      -3.18459259 
O       3.01908549       3.81437885       5.81467481       0.49546723       0.61154737       1.57370627 
O       0.70002216       4.67363598       6.38374859       0.19942685      -2.63438497      -0.46370858 
O       9.57207400       3.94437869       8.69147943      -0.35913197       0.32253686      -0.51408984 
O       8.59370859       4.28528323       6.03495724      -1.64607344      -0.70897233       1.47791882 
O       6.31284908       3.90002325       6.40942500       0.09554125      -2.16759304       0.08291392 
O       6.85448006       1.03583238       9.14702267      -0.57810934      -1.45984052      -0.85622148 
O       6.84462467       1.30883766       1.02301265      -1.98026711      -4.60587346       2.96300669 
O       9.53880624       1.38096914       9.01876735      -2.38024228      -1.25840774       1.36353541 
O       6.32355705       9.01206416       1.19948073       0.18534272      -0.75119810      -0.45444255 
O       8.85431132       9.28221604       6.22841040      -0.33859502       2.58588564       0.71366649 
O       1.58707165       6.81186002       6.74269382      -2.01661422       1.39735939      -0.96607422 
O       9.06936211       6.67218272       9.24401912       0.81714153      -1.15348127      -0.18525378 
O       8.77161902       6.29780727       1.17666693       1.36461052      -0.28431980       0.32542921 
O       9.04838313       7.00736298       6.75300062      -1.17865077      -3.82735052      -2.47973740 
O       6.15453242       8.86816396       6.27091290      -2.07615302       4.19707003      -1.74175968 
O       6.45894645       6.19175190       9.02882296      -1.00664601      -1.23768391       2.28056086 
O       3.87203893       6.70011449       7.61383102      -2.66865608      -7.64612695       0.92630086 
O       6.51468127       6.00786182       1.42927045      -3.08483762       2.44264538      -1.04884804 
O       8.38245347       6.62061188       3.83760670       2.08781293      -2.44040319       0.34106078 
O       9.46319266       0.97630179       1.28783106      -0.62751434       1.44410255       0.51520664 
O       7.90313657       8.74651124       3.57363564       1.37943484       3.50367118      -2.47385451 
O       8.94531440       8.98774448       0.97299259      -0.43626527      -1.09916445       0.55091691 
O       6.91942419       2.85072683       3.62558964      -0.97174441      -2.26822382      -0.02862732 
O       6.49910401       4.91282978       4.11989833      -2.95165080       2.58821226       1.96355378 
O       5.40788533       7.52784763       4.27890743       2.02765199      -0.13002544      -0.04257133 
O       9.87597466       2.15877631       6.23760642      -2.26205668      -1.09077945      -2.07295022 
O       0.78945060       6.99035185       3.92882215      -0.80363448      -2.76607846      -0.29980213 
O       9.78786412       4.65123695       3.44026464       0.39330025      -2.43771151       0.45198525 
O       4.22405094       7.19240289       0.00376595       0.91711208      -0.60075131      -1.12984275 
O       4.32592966       9.70941273       8.93897932       2.80894356      -1.31100984       2.77226250 
O       4.44351930       1.94712808       9.31355446      -1.99953035      -0.00512906       1.88478907 
O       6.37199630       6.53720307       6.67191646      -1.23445096      -0.19311323      -2.57492962 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.061311291866779936 0.003240043633521481 -0.005793407305722183 0.003240043633521481 -0.05221546779170179 0.015424119550353136 -0.005793407305722183 0.015424119550353136 -0.03959055357350525" pbc="T T T" energy=-919.78404829 free_energy=-919.78413363 config_type=crystal 
Hf       0.12728574       0.17270664      10.46471192      -0.97493596      -3.40438941      -1.62126797 
Hf       5.23141787       2.08464620       3.04574814      -5.12085461      -0.91495049      -3.59884465 
Hf       0.27817150       2.28621130       7.88197580      -3.34789997       0.95940389      -2.35463875 
Hf      10.42356918       0.09145010       5.00574755      -3.07859785       0.96862383      -0.67777559 
Hf       7.45048713       5.27029782       7.60572118      -1.06407039      -1.47548954      -0.10514682 
Hf       7.34616780       7.79432661       5.24627129       1.20732757       1.53696252      -2.94542546 
Hf       7.91857181       2.57864592      10.29705794      -0.28544036      -1.40913544       1.14176763 
Hf       8.04776156      10.33519269       2.21842078      -3.34307750       0.37693170       0.52333224 
Hf       2.13025550       2.62143887       4.70166048       0.94028449      -4.67355431      -2.59074957 
Hf       5.65296710       2.05787335       7.73183356      -1.59537191       0.22619902      -3.31044950 
Hf       5.18498719      10.16885903       4.86670105      -4.27889784       0.93148792       0.90882537 
Hf       2.44369349       3.01300725       0.01369419       1.69808790      -2.09775121       2.95877604 
Hf       2.24059447      10.02343735       2.31759367       2.17608890       4.71267703      -0.94102634 
Hf      10.42829132       2.85840107       2.23410637       0.41189847      -4.33832460       2.60049536 
Hf       2.75553172       9.90440212       8.05437002      -1.01033382       3.94918254      -0.21653740 
Hf       8.06003538      10.15352102       8.19203164      -1.83308450      -0.52603555      -4.94816507 
Hf       2.49504569       4.94052973       7.38273827      -1.66596336      -0.19774714       2.23600939 
Hf       4.83544479       4.87291640       5.33603822       2.76246243      -0.67269377      -1.24356629 
Hf       9.74876868       5.61661851       5.47219312       3.94713464      -2.44963646      -2.36548862 
Hf       2.01796510       8.16193168       4.87157568      -2.20138538      -3.17759902       7.07427794 
Hf       5.12966966       4.75793316       9.88460719      -2.56896749       0.25181895       0.82718896 
Hf       4.97320280       7.83496153       2.47464005       1.47184890       1.00131473      -3.90997642 
Hf       4.97377488       8.01160398       7.55818548       1.82418389      -1.96601834       1.75322031 
Hf       7.27568265       7.40965420       0.10253234       2.16127184       1.48450238      -1.10992877 
Hf       7.70826870       4.96712089       2.59722762      -1.30613041      -0.71871107       0.72523746 
Hf       2.32764436       5.68443980       3.42904299      -2.16795023      -4.59271085      -1.52019961 
Hf       9.83202395       7.47359713       2.30138927      -1.93456411       3.25621897       1.19004780 
Hf       0.00872776       5.31955573       9.84019240      -1.52790030      -4.83469874       3.13248535 
Hf       7.90090288       2.57027841       5.16805131       2.55102767      -0.11713994       2.95968181 
Hf       0.08365424       7.76489440       7.74011253      -2.99120880       1.07992761       3.37164145 
Hf       5.11872830       0.46871014      10.46520979      -0.88631657      -1.87084965       4.35530944 
Hf       2.19327751       7.32929534       0.06670371       1.69301610       0.80740982       1.55060774 
O       0.86720976       8.87534419       1.41618791       1.28457087       0.93693096      -0.77675305 
O       0.60912687       6.55037499       1.23152719       3.16419061      -3.77805162      -2.32636008 
O       4.23206742       1.02075122       6.75118191       0.95539295      -1.45890177       1.58590179 
O       1.44280544       1.26578359       3.22450916      -1.78621521       0.38182471       0.86418784 
O       3.08128319       4.91217669       0.19387767      -0.12195378      -1.94033353      -0.15683336 
O       1.19994931       0.72830654       8.56236012       0.96971551      -0.30771212       0.17095350 
O       4.28397328       3.77753092       3.33229616      -2.40738395       1.27527498       3.07524141 
O       5.79083689       3.72597651       0.82162423       1.38742417      -1.31727345       1.81703037 
O       3.78720117       1.02859919       4.44090652       0.74216215       2.76048513      -2.13169172 
O       1.52343747       3.71828627       2.98207157       4.01492121       2.26877171       1.22174653 
O       1.45924837       1.28540102       0.81588320       1.15980336      -0.88597298      -0.22378685 
O       3.34486115       6.78628785       2.34878661      -1.36884087       0.25381102      -1.54353411 
O       3.84635079       1.57279282       1.62418113       1.14265658       0.21445636      -2.19249632 
O       9.03445231       0.97241506       3.62769262       1.20285863       0.55375693       2.01160852 
O       0.54884334       8.91479643       6.29044911       2.01276681       2.35687822      -1.49484898 
O       6.37989671       0.35789349       3.54520494      -1.17483216      -0.77832552      -0.30285166 
O       6.70137515       8.58880402       8.70602965       1.18087421       0.09893835      -0.07051524 
O       1.46562186       1.02908545       5.77055381       0.99938983       1.21480685       1.92569543 
O       4.56332903       3.62657880       7.65504786      -3.04588742       4.06591441       2.89702262 
O       1.46606322       9.02911863       9.60071821       1.98891347      -1.78499924      -3.12539181 
O       0.39741710       3.30980607       0.42463226       0.64863292       3.22888282      -0.67688393 
O       3.46026461       8.82509879       6.54846753      -0.63592527      -0.49685969       0.24581023 
O       9.48950793       9.31785063       8.92928772       2.15659771      -1.39115339       0.46583170 
O       1.48127532       6.12682085       8.99480153      -0.09702443       1.37866617       1.09147249 
O       1.07589972       9.26161511       3.64097663      -4.58627689       0.26616104       2.96801890 
O       3.31308388       6.35992343       4.92974127      -0.84256822      -0.63124983       0.80959501 
O       3.88055580       9.56765726       1.27839693       0.77074009      -0.59268007       0.94763474 
O       3.39272130       8.94390042       4.02387377       4.66358915       3.12398824      -3.91432794 
O       1.62739069       3.44055351       8.80373121       1.52913406       1.38181792      -2.48452868 
O       8.57213650       3.01076675       1.80294037      -3.90442459       4.69102388      -1.50664350 
O       7.00101513       1.31022433       6.26930990      -0.95360135      -0.98783876       1.49943748 
O       6.79018912       3.82060949       9.09494757       2.09580910      -3.14950856      -2.20437988 
O       3.02669369       3.88463092       5.83592015       1.67807405       0.21647807      -1.76552822 
O       0.75074618       4.58509015       6.43032820      -0.71097302      -2.13181566      -0.28598279 
O       9.52210648       3.67955023       8.74221026      -1.18198618       2.62260184       0.84158509 
O       8.40834340       4.38707362       6.10591054       1.46424977      -0.02676988       0.01154382 
O       6.29005945       3.81849218       6.21769374       0.36108320      -1.65921786       0.63919689 
O       6.94258736       1.03393486       9.05422558      -2.35146552       0.95411221       0.85510576 
O       6.79000094       1.07661697       0.99774033      -1.03245642       0.75569823       0.24792404 
O       9.30133674       1.38755416       9.31599717       0.69561167      -0.59006486      -2.22988498 
O       6.44580132       8.67474660       1.28187726      -1.53758790       2.83201936      -0.10631546 
O       8.76830574       9.68936054       5.94717042      -0.89867183      -0.48362030       1.36381235 
O       1.35330959       6.76943549       6.87322722       1.90058417      -0.86187319      -3.18031844 
O       9.27867240       6.58767642       9.24383858      -1.90426510       1.58609547      -2.29569909 
O       8.76287420       6.17914652       1.17395566      -1.41403376      -1.16111870       0.89196706 
O       8.77717071       6.92715578       6.61649039      -0.47808649       0.60578706       1.82263207 
O       6.19360390       9.21797304       6.15204701       0.96072364      -2.42723069       3.49531971 
O       6.48036919       5.94275211       9.27422374       1.09373166       4.53693329      -1.12494597 
O       3.75425315       6.26651532       7.90070758       2.95391319       2.45462442      -0.34166550 
O       6.24189180       6.34728298       1.28841277      -1.51278913      -2.56575356       3.21657682 
O       8.70339102       6.54765545       4.05986410      -2.56226296       0.21547046      -1.95757280 
O       9.25047154       0.94783257       1.18432411       3.07247072       1.33421886      -1.22414097 
O       7.89013870       8.73934723       3.28918818       0.82254336      -2.86506653       3.88737427 
O       8.92243414       8.92860407       1.03287579       0.63993369      -1.69690147      -0.85173907 
O       6.79857653       2.76467059       3.71312507       2.41603709       1.92784079      -2.24077101 
O       6.27024390       4.96796698       3.94672887       1.25432142       2.96546666      -0.75432455 
O       5.35404992       7.59609605       4.36654417       3.12292675       1.25122523      -0.11580127 
O       9.70446693       2.09597796       6.07477474       0.99954455      -1.24209790       0.81574742 
O       0.61185562       6.75342356       4.00243773       3.07357308       0.19352258      -0.08430224 
O       9.96920182       4.41215859       3.71607497      -3.38954645      -1.17682210      -0.47826357 
O       4.05334533       7.45855657       0.01728849       0.68938902      -0.91840410      -1.28605902 
O       4.43912611       9.66960056       8.97500701      -0.72064906      -1.25488076      -1.22330473 
O       4.27813827       1.74585363       9.35773481      -1.42585205       1.79759858       0.48958095 
O       6.05573087       6.32214181       6.46848891       1.02672357       1.76246352       0.78633482 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.038694682355959145 -0.010499129160679362 0.016072887424322602 -0.010499129160679362 -0.04838961075420531 -0.007736407421680435 0.016072887424322602 -0.007736407421680435 -0.031850383570395435" pbc="T T T" energy=-927.46941562 free_energy=-927.46946415 config_type=crystal 
Hf       9.90331520       0.00805552      10.45164434       4.16798236      -1.70104285      -1.47062590 
Hf       5.24623320       2.65960721       2.20424860      -0.08150588       1.56289960       1.69402916 
Hf      10.09561499       2.22981428       8.01834233       4.83340136       2.62061332       0.33776161 
Hf      10.10697657      10.11763765       5.20409523       3.85344073       3.48755647      -1.23459635 
Hf       8.13623088       5.35289696       7.87271719      -2.82008819       0.13990932       1.14508206 
Hf       7.47966941       7.77223005       4.80255245      -0.57389648      -1.95176794       0.28103225 
Hf       7.48932971       2.80781070      10.20291227      -3.94732075      -2.90076669       1.03123296 
Hf       7.39549311      10.36435843       2.77119868      -0.77954320       0.74317811      -1.22791690 
Hf       2.68563770       2.71360726       5.40789067      -4.30700536      -2.11765011      -1.88291458 
Hf       5.00882043       3.03305557       7.69873462       1.80970275      -1.37994115       1.22551738 
Hf       4.97042643       0.13703312       4.70493169      -0.86566805       1.70866959       4.55891059 
Hf       2.43777003       2.21070405      10.07521103      -2.02197263      -2.26629242      -0.76169097 
Hf       2.61920747       0.12938316       2.50206662      -2.80969445      -4.47489943      -2.32122635 
Hf      10.20821005       1.87222316       2.47354529       1.62688309       0.18184478       3.90581813 
Hf       2.10935617      10.08057181       7.58609821      -5.69751495       7.23146559       6.06460318 
Hf       7.83966022       9.92866581       7.46899755      -3.91290455       1.99401795       2.17746845 
Hf       2.14944622       4.92362043       7.92044578      -0.80227188       0.20193866       0.85781255 
Hf       5.47069729       5.20968439       5.12547837      -4.03173807      -0.88993262       1.97025666 
Hf      10.32890261       4.92452325       4.90323583       2.67334183       4.66208764       2.37546395 
Hf       2.78326955       7.69327492       5.23429985       1.29926613      -1.65738447      -2.10018913 
Hf       5.27647015       5.55623304      10.04987926      -4.08087127       0.36657215       2.54332621 
Hf       5.01608219       7.92423057       2.38939903      -4.46215099      -2.79135802      -0.69919071 
Hf       5.01050873       7.83252499       7.84924894      -0.17720138       1.20125084       4.29762913 
Hf       8.25918089       7.92085533      10.18157965      -0.31728845       0.95942302      -3.70885549 
Hf       7.81448367       5.48274723       2.29905981      -4.36994021       0.09780856       2.62821020 
Hf       2.45822371       4.80159312       1.74184969       1.55516644       2.13304957       5.08090349 
Hf      10.41721054       7.77158764       2.70365683       2.43234955       1.25878617      -0.14683474 
Hf      10.28109803       4.74208147       0.36564476      -2.95120667       3.65850590       0.30981035 
Hf       7.78478457       2.62637274       5.42619344      -5.17129997      -2.90021489       1.59809802 
Hf       0.23772780       7.46089305       7.52454753       0.68636242      -0.00912015       3.25169910 
Hf       5.14151583      10.44348207      10.31842375      -0.74701347      -0.45135519      -0.91141663 
Hf       2.02626752       7.79886214       0.19456666       1.94626890      -2.43899253      -2.48072158 
O       1.82362483       8.52388983       1.87317862       0.09909394       1.40566106       2.43138369 
O       0.78421143       6.45523148       1.30143021       0.56223254      -3.61186117       0.87152275 
O       3.73532388       1.10669327       6.10515278       0.46839749       2.28228989       0.49300596 
O       0.73968759       1.73052902       4.27262227       0.02675557      -0.98841237      -3.15440023 
O       3.17051372       3.95540671       0.22877177      -0.41430377       1.00837822      -1.18282653 
O       0.90499661       0.83719846       9.08910607      -0.97017633       1.46983767       0.75911703 
O       3.75542976       4.05140500       3.06535677       1.17478122      -1.86150116      -0.31971325 
O       5.63662445       3.90121901       0.74096583       2.41976589      -0.39714795       0.81797439 
O       3.41425247       1.38970340       3.66080202       2.27522160       1.44582984       1.06263872 
O       1.19370004       4.25568827       3.84222952       2.24143176       0.38347075      -0.52045170 
O       0.94332656       0.80897028       1.08515833       2.14661718       1.54527261       2.20704437 
O       3.80357470       6.51640411       3.82219292      -0.94743043       1.99687345       2.33834630 
O       3.88928451       1.79336139       0.93395188       0.68187711      -2.67548221       1.91172669 
O       8.63434361       0.79260459       4.48984176      -0.38618849       0.32635140      -1.48564865 
O       0.82824431       8.98533590       6.52109611      -0.67495778       0.00848103      -3.36041475 
O       6.18875480       1.29925052       3.62963975      -1.75533956      -0.48161149       0.59201656 
O       6.91230937       9.83613089       9.29920876      -0.65970343      -1.70593359       1.36275108 
O       0.77966115       0.93779549       6.58989609       1.01113995      -0.04084007      -1.12456039 
O       2.99571206       2.97651224       8.31141791       1.58966901       1.14050729      -0.56003176 
O       1.62299311       8.50507955       8.76403009      -0.49627445      -0.07428901       0.69802555 
O       0.66513821       3.40159580       1.60140458       1.56487773       0.38720155      -0.82569014 
O       3.40231085       9.22447915       6.86109470       7.01449407      -6.74087676      -4.83897001 
O       9.40888407       9.32597502       8.69857510      -1.16035366      -0.97501844       0.72227407 
O       1.06580580       5.99168086       9.34903415       0.39430244       1.10186426      -1.31523313 
O       0.53713418       9.69560719       3.26207047      -0.73426076       1.32025301       3.20028665 
O       4.66157609       6.85279940       6.36766225      -1.88907721      -3.20918323      -4.89136182 
O       3.91095415       9.44347674       1.29116381      -1.35421488       2.10738772       0.99297177 
O       3.65651800       9.27405984       3.99295264      -2.20972655       0.36685027      -0.58135807 
O       0.55033823       3.72705391       9.52503314       2.19492277      -4.71965298      -4.16757703 
O       8.74820865       3.98923420       1.68808230       0.54364341      -2.60675735      -0.20736040 
O       6.76470487       1.06632304       6.19416468      -1.19528044      -1.41749648       1.14155243 
O       6.41099870       4.46087289       8.91697005      -3.00628262      -4.61521123      -3.21520615 
O       3.76498383       4.08826884       6.28086040       0.48985988       0.72805154      -0.50254807 
O       1.05361969       3.47394341       6.68541712       0.11474368       1.47165458      -0.72441969 
O       8.44495835       4.30811127       9.70889633       4.72368674       3.21546961       0.86596796 
O       8.33102382       3.41606344       7.44353130       1.89642755      -2.08267923      -1.68460333 
O       6.22776704       3.70873450       6.13242728      -1.15531269      -0.98253722       1.51669044 
O       5.93460941       1.86608327       9.31315256      -1.24014846       0.12789010      -1.71446235 
O       6.91328461       1.40155187       1.35237768      -1.68240006       1.44764373      -1.16902451 
O       8.90371618       1.36641610       9.70206483      -2.79939553       5.23639093      -0.28581629 
O       6.10175242       9.28337068       1.43939513       3.99387719       1.16252619      -0.54746179 
O       8.63091520       8.90545524       6.01571366       0.96080989      -1.82384209      -1.52901806 
O       1.73628816       6.47051003       6.42010670       0.86380305      -2.45700917       3.67865484 
O       9.08180161       6.92864732       8.64844294      -1.09665004       1.38146366       3.77261776 
O       8.74224940       6.52919873       0.92093245       0.22648235      -0.92110292       0.84373349 
O       9.61903542       5.98769251       6.79928122       2.84807858      -2.42391289      -4.14075959 
O       5.94999420       9.11149244       6.83643351       2.86195553       1.15269799      -1.95697577 
O       6.59646175       6.63154717       9.13791949       1.55994511       4.35441389      -1.35303812 
O       3.75860238       5.84649646       8.60669871       1.39724220      -0.55195886       0.48943434 
O       5.88798353       6.58042115       1.22605871       3.50167352      -0.24545931       1.15390877 
O       9.15242888       6.28634228       3.66002574      -1.65409261      -1.31425861       0.15269604 
O       9.00077155       0.34288538       1.81690563       1.81652232       0.77706128      -1.28618097 
O       8.54839193       8.67460740       3.15137115      -1.03192059      -1.04072694       1.45010911 
O      10.25651042       8.55849998       0.44823532      -2.14785807      -0.88121237       0.82733938 
O       6.65717796       3.89388608       3.55055473      -0.07953692      -0.06408994       0.10349849 
O       6.21512575       6.31159366       3.94181415       4.85778939       5.46064858      -5.16153334 
O       5.94793497       8.94340390       3.90660251       3.49955806       0.40996044       1.86366565 
O       9.10905161       0.88468685       7.42375478      -3.32576428      -2.34031129      -4.06982002 
O       0.83567939       7.19803935       4.50952429      -0.20854909       1.05864306      -2.54326634 
O       9.22936665       3.47155429       4.75301844       1.78113337      -0.03152982      -2.59489877 
O       3.55270146       6.47079880       1.28458873      -1.65857161       0.13587400      -1.81314392 
O       4.15456071       8.35025086       9.58637051       0.52577061       0.85982743       0.19886723 
O       3.36322043       0.67129956       9.18560370       1.82698976      -1.64818302       0.22113956 
O       7.27491359       6.15381454       6.26567237      -1.91770215       1.25691826      -2.22773659 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04623212485962647 0.010962180980540245 -0.0003594790315392424 0.010962180980540245 -0.04102303805755297 0.002085547290242921 -0.0003594790315392424 0.002085547290242921 -0.051432849325222164" pbc="T T T" energy=-927.05360833 free_energy=-927.05382033 config_type=crystal 
Hf       9.94622422       0.14839648      10.38078450      -1.45209333      -4.55480070       2.98450942 
Hf       5.19634448       2.64681312       2.17756125      -0.46755254      -0.20852615       4.25360568 
Hf      10.13707108       2.13938265       8.08720343      -0.72921312       4.26439004      -6.54864101 
Hf      10.20890574      10.20381572       5.24734973       0.71792419       2.89621269      -3.71110737 
Hf       8.07124405       5.19436648       7.78523483       0.78869770       0.81260843      -0.65474803 
Hf       7.40394938       7.72101308       4.87304838      -0.07596329       1.07517927      -2.09245152 
Hf       7.37578149       2.88243669      10.13227652      -4.89453760       0.75833801       3.98627402 
Hf       7.33246294      10.33078025       2.78531329       2.56020065       0.56326845      -2.87237694 
Hf       2.55984120       2.72964807       5.47714782      -1.44447955      -0.63692007      -3.28909661 
Hf       5.07030454       3.11046557       7.54406156      -2.57191565      -6.12266747       3.33563736 
Hf       4.99863891       0.14828554       4.90967422      -2.23360482       2.20627665       2.80111128 
Hf       2.44693089       2.18362600      10.05790485      -1.06669098      -2.23066139      -0.11100613 
Hf       2.71751063       0.16126185       2.45047108      -4.92962305       0.70754762       3.34603821 
Hf      10.21437067       1.76693256       2.60310836      -0.91302098       2.52776728      -0.41776742 
Hf       2.05728641      10.10950133       7.61582766       3.25529623       2.34366703      -0.04811447 
Hf       7.78538146       9.98142236       7.39263364      -4.31633245      -1.41146869       2.54291780 
Hf       2.13034247       4.94178410       7.96453099       2.38735471      -3.94856528       3.08524225 
Hf       5.50924022       5.13042742       5.12321872      -2.38465645       3.52559225      -2.64156341 
Hf      10.36111056       5.09525491       4.92717884       2.46301516      -2.32670782      -8.16116564 
Hf       2.92815033       7.69405194       5.24967574      -5.57055006      -1.78491087      -1.68778212 
Hf       5.27839395       5.55723277      10.01684940      -0.17153097       1.91763507       3.15353227 
Hf       4.98128427       7.99871988       2.38644934       0.81512853      -1.75082538      -1.83108381 
Hf       4.93188329       7.86115790       7.86462043       1.55165568      -0.64963599      -0.72408735 
Hf       8.23791734       7.93395440      10.11566844      -2.85728506      -0.63373333       1.38348753 
Hf       7.78470901       5.33785735       2.39118833      -2.65477763      -0.47939867      -0.35402643 
Hf       2.53084333       4.72605824       1.72486796      -2.18485000       1.91412532       4.18630987 
Hf      10.45752802       7.85432379       2.81365555      -1.58034205       0.46795677      -3.24745249 
Hf      10.23762217       4.69711397       0.20916565       4.70200747       1.69625001       4.17724032 
Hf       7.75972860       2.55423843       5.53493035      -1.52534032      -3.33146655      -4.45039682 
Hf       0.34164304       7.47804380       7.47272687      -3.24189420      -0.98780209       2.86110442 
Hf       5.16211478      10.46087961      10.39746606       1.31431328      -0.11776580      -3.71224492 
Hf       2.00679536       7.83331697       0.19453128      -0.80089403      -0.77182119      -0.41523175 
O       1.72082424       8.61343288       1.97825173       1.03723920      -0.07366555      -1.88738138 
O       0.90467101       6.08078925       1.59397390      -0.58179512       0.17433462      -1.39893221 
O       3.69295199       1.43196455       6.35979166       1.48906319      -0.81965543       0.04194212 
O       0.99788979       1.32433926       3.81343773       3.16964826       1.90265732       3.31708041 
O       2.87991078       4.01212399      10.43495777       1.39943220       1.85675245       1.10890102 
O       0.59244396       0.89571477       9.07327982       5.33503108      -2.11866103      -0.96409819 
O       3.68423113       3.82814505       3.04415822       1.67335924       1.38792274      -0.94299554 
O       5.63605278       3.88176266       0.76097500       0.32152235       1.40662953      -1.29413456 
O       3.64868143       1.55967019       3.68402453       1.10200050      -2.17244482       1.72018705 
O       1.38715509       4.45392019       3.81791790       0.38186226      -0.67884327       0.82099698 
O       1.05866524       0.91570207       1.29212209       0.09710639      -1.00193369      -2.60399936 
O       3.92480344       6.46571882       4.44873796       2.82625005      -2.01461188      -5.17680083 
O       3.59503431       1.57563575       1.25491852       1.45104413       1.98069459      -2.10839746 
O       8.84488598       0.99622001       4.48409938      -1.94969220      -0.08849132      -2.18023235 
O       0.79586513       8.98045237       6.32630935       2.99363921      -2.08204045       1.35257913 
O       6.19549503       1.21184613       3.68829621      -0.70839173       0.68373163       0.29005854 
O       6.70045056       9.48520056       9.17114193      -1.94785230       3.61662696       0.16718258 
O       1.09872650       0.87197889       6.33597583       0.67130738       1.10225641       1.34104997 
O       3.31710510       2.88811241       8.37965722      -1.27978465       1.03945163       0.49970229 
O       1.43224128       8.64137606       8.76721778      -0.74269243       0.15081786      -0.25108736 
O       0.62263371       3.36641147       1.41374290       1.11645454       0.01001621       0.10887671 
O       3.69243507       9.13922996       6.13217348       0.87757667       2.45074369       6.40573970 
O       8.89272845       9.40790977       9.01444052       3.01307907       2.79733036      -1.68580776 
O       1.32271951       6.11378709       9.39387920      -2.04857309      -0.23660850      -0.06602433 
O       0.37751343       9.77103353       3.33284825      -1.97143788      -1.51645569       2.07068171 
O       4.55949139       6.15621256       6.53998854       2.52369817       4.49993887       2.08526077 
O       3.87343627       9.73497684       1.27728092       2.87861971      -3.95476945      -0.17068157 
O       3.52414338       9.25986380       3.93657362       0.60898643      -0.15885387      -2.55130263 
O       0.81389148       3.37097264       9.16065772      -0.27523406       1.76583847       0.82930103 
O       8.57879834       3.65684967       1.43885571       0.23335197       0.52296773      -0.84866982 
O       6.37403616       1.05862232       6.30687183       0.92498373       0.60257103       0.06224371 
O       6.40899034       4.10370879       8.83565511      -0.61970025       3.73951766      -1.17224973 
O       3.73449736       4.21075028       6.25361855      -0.37529114      -2.66857596      -1.00993927 
O       1.13795936       3.52191994       6.63636445      -0.82536636       0.83301597       0.32941113 
O       8.81867202       4.56704035       9.56693206      -4.84697489      -1.24432693      -4.08345712 
O       8.17885145       2.97086572       7.28882495       3.29598362       2.71010199       3.65780497 
O       6.26500306       3.77740784       6.28222707       2.29180931       1.34923087      -3.13730325 
O       5.76109499       1.71528009       9.08346291       0.39443319       0.12851966       0.99356821 
O       6.68535705       1.57938077       1.29566218      -0.40062018      -1.60698763      -2.01154666 
O       8.84638778       2.00772026       9.55199522       3.77261765      -4.70246367       0.04509414 
O       6.40711176       9.19607252       1.20672272      -0.88205131       0.39571411       1.78170197 
O       8.92415290       8.60800856       5.69603981       0.54260750       1.23054087       2.61518836 
O       1.84436978       6.45718321       6.89183236       1.45872390       2.08456524      -3.29412066 
O       9.12928770       6.85126170       8.74057146      -0.42309177      -0.79522392      -2.41367544 
O       8.59764807       6.53108620       1.09207240       1.37898377      -0.54850407      -1.37812459 
O       9.94197452       5.75134771       6.53412433      -2.60541581       2.02892042       7.43109318 
O       6.24647286       9.13973202       6.63115354      -1.53675334      -3.72004019      -2.02425107 
O       6.31825519       7.45355697       9.34811396      -0.20691156      -6.34694351      -1.54746684 
O       3.82311332       5.97640063       8.82994129       0.66529588      -1.01382112      -0.64785752 
O       6.00552974       6.51762562       1.32899347      -1.35732069      -0.25031001      -0.91292056 
O       8.88487953       6.18824185       3.75003391       2.59559533      -0.28802222       2.03561836 
O       9.00113138       0.46184860       1.57319744      -1.29777131       0.19410705       0.77799703 
O       8.32563017       8.58919923       3.13583449       1.08175205       0.31171048       0.36799171 
O      10.05521431       8.45883015       0.33334052       2.02924756       1.86863676       1.75434509 
O       6.72367056       3.83641460       3.37231566      -1.62351808      -0.35927612       1.95950016 
O       6.45704987       6.47559881       3.55601422      -2.09765048       0.65968736       2.46021251 
O       6.14183430       9.20524332       3.98786533      -1.38848657      -1.82803369      -0.15404674 
O       9.18358959       0.64870617       6.98496322       2.23920420       2.25606836      -1.00519437 
O       1.07464116       7.14253050       4.14198222       0.95365198      -0.65068549       3.52275973 
O       9.30010142       3.45176427       4.80537058       0.39690351       0.93190614      -0.64538618 
O       3.39717833       6.76056413       0.98051443       2.52834408      -2.15110989       1.83875160 
O       4.01909930       8.42142426       9.40582762      -1.46310689       1.43698332       0.65798913 
O       3.18912671       0.31144732       9.40498269      -0.31547476       1.00377632      -1.24246834 
O       7.24124969       6.27051655       6.20482293      -0.48233713      -1.75637333       1.13560467 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.035952090975611875 -0.010303587772836888 -0.0010107013976969898 -0.010303587772836888 -0.04582724833004879 -0.0004993454589298174 -0.0010107013976969898 -0.0004993454589298174 -0.02608639415742497" pbc="T T T" energy=-926.61297401 free_energy=-926.61303308 config_type=crystal 
Hf      10.07822090      10.41127568      10.29613555       2.84167509       1.96181372       1.84124467 
Hf       5.28939151       2.16495943       3.02748535      -1.61940905       1.30468505      -6.68657641 
Hf      10.17784258       2.77170639       7.67168891       0.44799610      -2.25869114       1.70056958 
Hf       0.46235642      10.31018402       5.33817793      -2.13922811      -0.06782566       2.12128776 
Hf       7.86907778       4.97238518       6.96037759      -0.42259822       0.32082704       0.24643133 
Hf       7.78331826       7.73908150       4.68452993       1.03135412       0.12246906       3.82027438 
Hf       7.27333749       3.03640789      10.10811111      -1.56491706      -3.20751856       0.03069572 
Hf       7.50070166      10.23570162       2.40254614       2.87772569      -2.85350745      -4.28825917 
Hf       2.29118002       2.78957125       5.26208436      -6.28545549      -0.43321529      -0.96127856 
Hf       4.85371605       2.71985705       7.34075740       0.19864881      -1.73353755       4.05394209 
Hf       4.61902083      10.45737584       5.33329576       1.10375467      -4.14162802       0.65752310 
Hf       2.37943426       2.53569117       0.10605317       0.26011941      -2.76966447       1.69179240 
Hf       2.63667901      10.37115131       2.53572822      -0.26262522       2.25514406      -1.91724662 
Hf      10.19432507       2.24180562       2.50612814       1.97731799      -4.52374072      -1.26650934 
Hf       2.63884175      10.30972089       8.21110744      -1.07556594      -1.75664567       1.54777015 
Hf       7.69452354      10.08102573       7.80160972      -3.09655701       3.31758899      -3.25938567 
Hf       2.33366819       4.99882594       8.51311697      -4.82950707      -1.56834164      -3.04138993 
Hf       5.11441256       5.18126123       4.71047648      -0.34485585       0.03667618       1.18609483 
Hf       0.24187388       5.41862794       4.90613214       2.18372798      -1.55925409      -4.92209149 
Hf       2.69056571       7.85551379       5.01796538      -1.22516319      -0.37761389      -0.46725162 
Hf       5.01482091       5.49999689       0.09286691       1.18145513      -1.24308084       1.04228395 
Hf       4.98097196       7.75118273       2.35802042      -0.34282839       2.14289081       1.27799838 
Hf       4.78667900       7.65470394       7.88871132       0.36474427       0.97004563       1.95707630 
Hf       7.73233625       7.74676265      10.30579355       1.09360361       0.00130743       1.21749132 
Hf       7.67750676       5.13339908       2.41403698      -0.09164256      -0.24262825       0.50169961 
Hf       2.39247661       5.05515105       2.17224537       1.20845394       1.40233330       1.50297315 
Hf      10.37306893       7.98827806       2.40950878       1.99524822      -1.42055832      -0.59433873 
Hf      10.00598695       4.77556232       0.33212319       2.20183012       0.84033895      -0.45965492 
Hf       8.26009784       2.07959856       4.87985884       2.46445524      -0.87259533       1.76690268 
Hf      10.41307252       7.52938365       7.59927055      -0.28213273      -1.33501807      -1.97390499 
Hf       5.42172133       0.19391482      10.33965789      -3.24218311      -0.83349199       0.31216238 
Hf       2.04166037       7.55969230      10.29515895      -1.92489247       2.26014254      -0.29826827 
O       1.50835640       9.18037489       1.16659761      -1.06519885      -2.17773817       0.43482103 
O       0.95323868       6.40972098       1.12422562      -0.04765588      -1.81481075       0.88864201 
O       3.33692902       1.08282196       6.95208512      -1.31889760       1.71772393      -3.35168920 
O       1.57378732       1.62960000       3.83893246       0.10494835      -1.56292494      -0.90289747 
O       3.16234988       4.46464344       0.30258768      -1.51135489      -0.16489371       1.61946182 
O       0.85682980       0.33741124       8.63719900      -0.69499505       2.61809837       0.34234508 
O       4.34303342       4.51137440       2.84735839       0.57065278      -1.60094889       1.47847497 
O       6.13079351       4.10624276       1.05282991       2.93457147       0.82556824       2.76695471 
O       4.01128272       1.15610462       3.98195444      -2.91268687       0.44764676       1.37962613 
O       1.99498070       4.51003483       3.99130798      -0.04644798      -1.86350596       1.75991066 
O       1.11994536       1.16978813       1.17474900       0.42576214      -0.44329813      -0.63853132 
O       3.56154278       6.70969023       3.47296848       0.50191075      -1.08359986       1.87141851 
O       3.54776298       2.03612124       1.80452788      -0.39407200       0.31084554      -1.25108351 
O       9.64976973       0.71024020       4.08895972      -2.26887086       1.33791436       0.33341451 
O       1.87431117       9.10082288       6.48212124      -0.16667296       1.76395284      -0.46517835 
O       6.53469568       0.56694149       3.70821705      -2.41690700       1.63142247       4.63040808 
O       5.50299682       9.69568830       8.47983550       0.86420639      -3.23326782      -0.69892567 
O       0.60410833       1.80290772       6.18285563       1.79982483      -1.62104360       0.11894826 
O       2.83109967       3.09351274       8.64276042       1.62202710       0.04865516      -2.49472405 
O       0.56544964       8.53701193       9.00108742       1.53456899       1.13375640       3.58520145 
O       0.91013709       3.56948652       1.74194294       1.49865107       4.09836849      -2.81017620 
O       4.35955453       8.60358565       6.10311502      -0.20709763      -0.62623160       1.69146716 
O       8.52207174       9.72845044       9.44636060      -1.89616775      -2.42498217      -0.68470456 
O       0.62540600       6.00388864       8.95275828       0.99986922       0.02602923       1.92632376 
O       1.26261599       9.07473336       3.93208666       1.32490450       3.82787046      -1.12384779 
O       5.12025291       6.14244836       6.60532244      -0.08102306      -0.66563001      -1.98494290 
O       4.17030690       9.82567160       1.46822345       0.55485505      -0.40800613       0.29191335 
O       4.08170748       9.03606777       3.80543946      -2.10113572       0.84952349      -0.30864725 
O       0.68587573       3.72320193       9.53529944       0.97856548      -1.23866330      -0.68587926 
O       8.56113171       3.59018626       1.19136430       1.41507759       1.14240852       0.75515888 
O       5.45764730       0.99933852       6.55799512       5.51999204       3.13583604       1.16115671 
O       5.48232388       3.95842318       9.44963893       1.15334930      -2.09972358      -4.43306337 
O       3.91809230       3.57707598       5.82987069       2.69748197       1.78271442      -0.27381850 
O       0.85370930       4.20437909       6.28557364       2.14656589      -3.19860211       3.28228526 
O       8.65639809       3.76421007       8.80855142      -1.26903803       3.21687568      -0.25894199 
O       8.85073397       3.36791190       6.33564698       0.05189211       1.43967252      -0.32390881 
O       6.43959958       3.60635748       6.72842891      -0.19604350       0.43282047      -0.48252837 
O       6.37087202       1.22396400       9.00124222       2.64759706       4.28299135      -0.01724108 
O       6.27861707       1.50212650       1.30965047       0.54493410      -1.09224615      -0.65396138 
O       9.29783622       1.70748926       9.88048612      -0.34796314       0.28018671      -1.44302364 
O       6.52886643       9.20587935       0.72590172       0.54103867       0.81829213       1.18439541 
O       9.60884971       8.93138724       6.27091531       2.18188000      -0.30404937       0.02461981 
O       1.76712744       6.51447425       6.79931042       1.25502120       0.57358423      -0.89199648 
O       8.65518370       7.06785940       8.73839282       1.44239395      -0.77847329      -2.25375960 
O       8.91212410       6.36145087       1.20798986      -2.72248641      -0.26769615      -2.19400872 
O       9.52479001       6.08180876       6.14435289      -3.83253738       2.21051007       3.50748446 
O       7.34784584       9.21043665       6.10010295      -2.43602082      -2.94766185      -1.69295233 
O       6.26922125       6.96723180       9.07289068      -1.80867067      -0.36978926      -0.81226180 
O       3.80063119       5.95439314       9.14135282      -0.53093977       4.47841811      -3.24373446 
O       6.22330038       6.77414842       0.98817768       1.52177081      -0.20436321       2.19461148 
O       9.61457274       5.50306024       3.17288955      -1.97815402       1.76307412       0.22949435 
O       9.04208855       0.83385126       1.73385445      -1.24969810      -0.79117494      -0.52119755 
O       8.92329593       8.77210602       3.45278504       1.59109220      -0.38126510       1.00748280 
O       9.19432885       8.80883003       1.00712339       0.66965136      -0.02106074      -0.06754983 
O       6.96027304       2.83476546       3.58433774       2.18737090       4.46190492       1.25372618 
O       6.15043951       6.24110987       3.49893491       0.85794592       1.66167568      -2.10278213 
O       6.71786538       8.57143966       3.47590509      -3.88042860       0.80888523      -2.58873324 
O       8.69382753       0.97923473       6.70316435      -0.55386279       0.65624676       0.63142245 
O       1.05726988       6.98656078       3.91086686      -0.09603615      -2.26420815       0.90932693 
O       9.76812089       3.39314685       3.88787837      -2.31641956      -0.17017953       3.62866067 
O       3.54722586       7.20194115       1.08440037       0.76370107      -2.11218619      -0.47237680 
O       3.31403547       8.65155978       9.27456086       0.94335860      -0.74420203      -2.10372029 
O       3.44984823       0.85112907       9.77870881       0.46074238       0.75884007       0.21961095 
O       7.44043121       5.31422414       5.01854824      -0.60939280       0.32991603       0.75164567 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02404899703302424 -0.0007852818931858926 -0.013051695305326978 -0.0007852818931858926 -0.03870584566952134 0.01639687817743995 -0.013051695305326978 0.01639687817743995 -0.021635290348133888" pbc="T T T" energy=-926.39538571 free_energy=-926.39648605 config_type=crystal 
Hf      10.10509475      10.44232618      10.29106813      -1.11206671       0.69688130       0.72973486 
Hf       5.30559738       2.06385185       3.04095493      -0.30967658       3.29507185      -1.82206656 
Hf      10.13443862       2.84571048       7.71806255       1.02427209      -1.61071777       3.56973256 
Hf       0.45109270      10.19406980       5.31497499      -4.73419559       3.96807891      -1.00630620 
Hf       7.78990590       5.05480922       6.86754439      -1.70561977      -1.36135760       5.87077925 
Hf       7.82890662       7.76091651       4.69050791       1.29106501      -2.70135238      -1.86562372 
Hf       7.42133186       2.91219472      10.11502539      -0.16165304       1.59295909      -1.43257256 
Hf       7.53563982      10.15939434       2.30481193       1.00711371       0.05475492       0.60714295 
Hf       2.25784067       2.78547845       5.28708183       0.92808928      -4.47530869       1.07598224 
Hf       4.86001252       2.70925845       7.46519298       3.23382022      -0.87267040      -0.65049069 
Hf       4.66259811      10.24542671       5.14709547       2.62708179       4.17681853       5.49839588 
Hf       2.38793533       2.61672552       0.31833785       0.62169146      -1.32564579      -2.65569891 
Hf       2.57105887      10.34498497       2.50117270       1.88695764       6.28693700      -3.62312680 
Hf      10.27273669       2.34871042       2.32477820      -0.89628131      -2.95817096       2.48614553 
Hf       2.64503942      10.34635437       8.36214622      -1.16077184       1.48909881      -1.68479604 
Hf       7.73294789      10.27080881       7.86450363      -5.42995027      -0.05858627      -2.58859016 
Hf       2.19680106       5.01641083       8.40882882      -1.45961191      -3.02684066      -0.30295106 
Hf       5.06817854       5.10391423       4.75116917       2.59204681       1.08817070      -2.90510210 
Hf       0.15390558       5.41635050       4.91996700      -1.73558113      -1.11849809      -0.62252473 
Hf       2.46977567       7.93506864       5.02400573       3.80140927      -3.12753815       1.31636538 
Hf       5.05128253       5.35095611       0.17089316      -0.70270309      -2.02626291      -1.42142974 
Hf       4.97132338       7.88325236       2.39493481      -1.91670960      -2.41890339       0.79024537 
Hf       4.83850741       7.56415457       7.86083470      -0.18478200      -0.18656765      -2.08423403 
Hf       7.63071876       7.65527958      10.44652878       2.44781676      -0.35064398      -6.34741388 
Hf       7.78582523       5.18875502       2.40365253      -4.22308323      -4.13179756       3.54180120 
Hf       2.46539117       5.18396569       2.21633936       1.60452790       1.17204470       3.18994325 
Hf      10.44854561       7.90700017       2.30562515      -0.35843504      -0.19795587      -0.45506221 
Hf       9.99801935       4.81673049       0.39683288       0.85362647       3.19301433      -6.29933862 
Hf       8.40390772       2.12927942       4.85670897      -2.59847439      -1.45725808      -0.18087417 
Hf      10.34336439       7.54222411       7.58335209      -1.81667563      -1.46110422       2.76885103 
Hf       5.43265077       0.18580561      10.43104874      -2.03852634       2.66345154      -3.01874385 
Hf       2.05850666       7.58449280      10.18520116       0.25446263      -2.66159060       1.12433823 
O       1.42573591       8.86985750       1.18002533       0.83600774       1.36709088       1.50863473 
O       0.72109324       6.31173244       1.32826188       0.60772974       0.57420394      -1.98474253 
O       3.13139755       0.90148290       6.71176829       1.21233996      -0.36941397       1.74520639 
O       1.29974724       1.53533523       3.49342048       0.76258657       0.59787858       0.25408324 
O       2.98891437       4.53249854       0.42542183       1.80787559       0.13660194      -0.91808946 
O       0.76134718       0.56352983       8.83454820       2.54988517      -0.07042697      -1.83780436 
O       4.32671431       4.33535918       2.77302702      -1.30108890      -0.20925268       1.40284485 
O       6.34940846       4.22561825       1.31560385      -0.81841179      -0.41011009      -3.32755752 
O       3.56541705       1.29329703       4.24967240       1.78060646      -0.28122353      -0.01796740 
O       1.75637551       4.37016704       4.43519292       0.26817837       1.26783789      -2.82932449 
O       1.21382424       1.06344159       1.02886420      -1.47618610       0.12350149       0.13004829 
O       3.87067497       6.65351604       3.86490014      -1.11211928       0.85131081       0.57712998 
O       3.52333497       2.09543382       1.95521018      -0.02496652      -0.56697692      -1.67206343 
O       9.52912166       0.68654086       3.91490440      -1.17141443       2.66385247       1.18081461 
O       1.66244357       9.27175654       6.42594045       1.56019176      -0.65526241       1.22839453 
O       6.20582444       0.57339527       3.92294736       1.29956345      -1.51853395      -0.76749236 
O       5.85009003       9.28853240       8.36543334       0.28326640       2.48227294       0.64359283 
O       0.80302872       1.60354911       6.11449408      -1.49435419      -0.13457306       0.29266385 
O       3.10236159       3.12381950       8.49518983      -0.99174620       1.54978568       0.71999343 
O       0.59073912       8.45023185       9.34986778      -0.06961269       1.67361672      -1.52360002 
O       0.88918459       4.03436603       1.43066214       1.40985234      -4.48002713       4.38998927 
O       4.15008473       8.57498362       6.19889791      -1.06292677       0.80570473      -1.41684473 
O       8.71225453       9.35980659       9.19096166       0.63897987       0.79361552       0.64950812 
O       0.48644386       5.94623620       9.08861249       2.59574592       1.54516280       0.04219735 
O       1.72401162       9.30709085       3.76785419      -5.36295327      -1.68128834       2.99709004 
O       5.05329027       6.13196792       6.26723602      -0.46220769       2.17717952       3.05398739 
O       4.54527452       9.97196950       1.59928591      -2.33188520      -0.97504155       0.09111467 
O       3.96207808       9.22174611       3.65733855      -0.65681939      -1.65840937      -0.25873283 
O       0.80352000       3.73978719       9.58233967       0.72906026      -1.89837238      -1.02129253 
O       8.67123236       3.54361920       1.15597149       1.88472762       0.53709875       0.95595953 
O       5.74579989       1.21366756       6.42353019      -2.02371151      -2.62455857      -0.64244055 
O       5.53648636       3.84831812       9.20834874       1.02257272       0.67995035       1.88135162 
O       4.11203926       3.79840743       5.89229623      -2.56460946      -2.56863130      -0.10945613 
O       1.14728852       4.04138257       6.91583701      -0.67440884       0.45694211      -1.45749547 
O       8.69017011       4.13649144       8.65263811      -0.22968864      -0.68083806       1.96807680 
O       8.88321321       3.31495262       6.34181691       2.43082392       2.71138583      -0.27375836 
O       6.67244500       3.28494341       6.80453954      -1.08505443       3.17968016       0.45133091 
O       6.72122618       1.49631378       8.98437897      -0.85979935      -3.00132123       0.70160801 
O       6.46106052       1.28303890       1.38055521      -1.32763434       0.87875016      -0.82376606 
O       9.34456822       1.96946504       9.63853646      -0.74814261      -2.17979124      -0.30302493 
O       6.46788563       9.21577305       0.40817719       2.98203047      -0.29451741       2.09809302 
O       9.63846948       8.92545636       6.46160288       0.31056799       1.73292792      -1.55454121 
O       1.81845390       6.79603366       6.65464357      -1.72003674      -1.28527961      -0.31837046 
O       8.58276231       6.79555619       8.62836113       2.13274454       1.15335498      -0.34273717 
O       8.60191503       6.32334344       1.10790096       1.23388027       0.33156663      -1.79134539 
O       9.11485858       6.49093577       6.01756199       2.96310426      -0.37358853      -0.00459568 
O       7.13081705       8.79984511       5.94017826      -1.91569717       1.61802435       1.75407808 
O       6.30198747       6.81060858       8.66027216       1.46769419      -2.56820016       3.15421809 
O       3.65334203       6.23786504       9.07488240      -0.40211941      -1.52502545       0.10046433 
O       6.04126595       6.93917349       0.90591136      -1.21851047      -1.17654795      -0.55176314 
O       9.32804931       5.67395759       3.42732256       1.73961074       3.07312300       1.10999220 
O       8.84810455       0.94039864       1.65445294       2.71130449       0.47616863      -2.14762355 
O       9.21898544       9.04810285       3.38256908      -1.18161841      -3.12251883       2.39554593 
O       9.10212435       8.79212608       0.98070042      -0.02455172       0.31516023       0.54063335 
O       7.16731080       3.15406483       3.59165508      -3.48921119      -1.01613099      -0.34032737 
O       6.36356755       6.18358659       3.27120903      -1.22013902       1.28316352       0.04590015 
O       6.65598743       8.46121655       3.04444028       2.23976155       1.85298018       1.39484156 
O       8.39577621       0.79218312       6.40516965       2.13016342       1.02135169       0.15109510 
O       1.06879453       6.68350118       3.67896329       1.38987887       1.80062216       2.04512281 
O       9.45714277       3.47758219       3.85769343       3.75388044      -0.62290244      -0.80221136 
O       3.41464883       6.74480234       1.33497281       0.60612672       1.38012647      -0.81142719 
O       3.47317372       8.43696626       9.07497252      -2.18969402       4.62115281       0.86039920 
O       3.40593027       1.07391637       9.91823906       1.50697537      -2.78388173      -1.49694122 
O       7.21444858       5.32426646       5.17159077      -1.31393310       0.87212467      -2.80505658 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-5.936987143933239e-05 0.0015561235993788883 0.0033682011208635908 0.0015561235993788883 -0.001942661620193828 0.00455031817051465 0.0033682011208635908 0.00455031817051465 -0.0036998914558122107" pbc="T T T" energy=-929.46503844 free_energy=-929.46514822 config_type=crystal 
Hf      10.34717932      10.27927325      10.23098597      -4.15850241       1.15646745       2.14882918 
Hf       4.96292855       2.39157579       2.24453991      -0.37076525       2.32187509      -1.50354191 
Hf      10.11194948       2.56100661       7.95022620      -1.29154878       1.38910878      -1.60798267 
Hf      10.45706133      10.32944811       5.29827847      -1.73257347      -2.14268014      -1.76107953 
Hf       7.63774577       4.95320084       7.51442044       0.59753882       2.74300469       3.74946975 
Hf       7.89491862       8.02463565       5.44395479       1.09078364       3.40915992      -2.24448930 
Hf       7.86353174       2.60372629       0.02207615       0.63182514      -0.22439342      -3.22746512 
Hf       7.73348596      10.22096710       2.72600552      -1.64771016      -4.01406788       1.76889606 
Hf       2.39619818       2.60522233       5.31757291       0.05725991       0.45199536       1.37600273 
Hf       5.12850687       2.88722100       7.72812664      -2.59002983      -3.54273725      -1.75349675 
Hf       4.74115165       0.42961229       5.12978835       0.99844867      -2.64741146      -0.15126658 
Hf       2.21347759       2.32205322      10.11398401       0.23634591       0.80032434       0.38049055 
Hf       2.37347533       0.18314018       2.28115937       4.10192742      -2.54961710       0.05792885 
Hf      10.19679991       2.20323275       2.65558484      -1.52195933       2.05984156       1.66951817 
Hf       2.79060814      10.16537860       7.53205306      -0.69609847       2.72968344      -0.51979750 
Hf       7.72860798       0.16824929       7.93756953      -4.74665864      -2.65644102       0.58485282 
Hf       2.29398810       4.94251778       8.18249714       1.44882352       1.13812017      -2.60356369 
Hf       5.29060047       5.22665397       4.71523651      -2.43084673       1.51025146      -0.63831583 
Hf      10.35014858       5.20402647       5.24143528      -1.50953443      -0.78451481      -2.04238776 
Hf       2.37567491       7.43861846       5.63599135      -1.54547949      -0.15271435      -2.64795165 
Hf       5.29295117       4.88366781      10.09010642       2.36085189       5.39254664       2.08084170 
Hf       4.81421484       7.92093204       2.55684420       1.66105324       2.38887784       0.12116807 
Hf       5.24491990       7.72781401       6.95154318      -0.02853391      -0.89323862       4.75735647 
Hf       7.85074968       7.81785850      10.34073088      -4.33502982       0.51033819       2.68003586 
Hf       7.53948720       4.81354385       2.38501913       0.98228961       3.23942818      -2.09195256 
Hf       2.39492256       5.37469628       2.35720206       2.46001844      -1.06885773       1.08479130 
Hf       0.24756383       7.77623526       2.58344196      -4.41647721       1.99439425       2.17074127 
Hf      10.45628401       5.24068967       0.21033315      -0.26522291      -1.37948450       1.36473252 
Hf       7.61326355       2.53044918       5.09129429       1.80704701       1.32241523       0.16652496 
Hf       0.01273831       7.26386003       8.03973555      -1.50902888       3.36814341      -0.60266367 
Hf       5.09934217      10.22867901      10.44704926       2.69515534      -1.53095642       0.50840975 
Hf       2.54775975       7.92107648      10.05212290       2.57572813      -1.58665194       0.95435892 
O       0.81333468       9.63131782       1.70579310       0.55705796      -2.32075647      -1.39233897 
O       1.33852200       6.69553103       1.41370292       0.65119271       2.45134558      -2.26214134 
O       2.26001806       0.63011045       5.72310069       1.44724564       2.08504278      -0.75291505 
O       0.87291237       0.74177853       3.36695331      -0.40503314       2.54336785       2.81957464 
O       4.28420134       3.39167981       0.24871637      -2.59419000      -2.83802366       0.93235312 
O       1.21128619       0.76702311       9.19311153       2.14332269       0.48293018      -1.41981256 
O       3.62992160       4.02434757       2.95938713       1.07966215      -1.97837717       0.62524623 
O       6.55707336       3.76252825       0.98715733      -0.90306379      -2.19258299       1.25251457 
O       3.93395529       1.44653748       3.59835303      -2.05017047       1.10095217      -0.78976730 
O       0.88494913       3.55105669       4.21148585      -0.29991296      -0.52905089      -0.50302646 
O       0.37509176       1.52941346       0.96038709       2.03533574       0.54669882      -1.02211171 
O       3.69863210       6.67134856       3.67095989      -0.02141487      -0.09455030       1.14220076 
O       3.45525192       1.10816764       0.69838995      -0.86352159       0.44275349       1.19590746 
O       9.00700920       1.03813003       4.18766603       0.18642375       3.49734466      -1.54275617 
O       1.45825167       8.84335572       6.85501111      -2.56760424      -1.06239240       3.57445047 
O       6.59554564       0.97688811       4.54694786      -1.22540828       0.79041875      -0.92863880 
O       6.22865667       8.85954327       9.38299467       1.76366560      -0.20313669       1.32165445 
O       0.10254573       1.08539225       6.73297878       0.32436734       2.29350792       1.51909550 
O       4.14175562       4.89090927       8.53536403       0.18719077      -4.74965081      -0.69542335 
O       0.61645845       8.59739751       9.70862431       2.54757126      -3.64685554      -1.74371233 
O       1.39132503       4.02388371       1.08719400       1.39140293      -0.38049013       1.49902968 
O       3.50379259       9.01979921       5.93225775       4.88608532      -0.56416455       0.85785123 
O       8.98471672       9.44310980       8.70615661       2.59377798      -4.20227613       5.96346029 
O       1.65352354       6.10594466       9.61551061      -2.47428888       0.76158826      -0.55932602 
O       0.93981745       8.68504565       4.64049057       1.81724712      -1.93741345      -1.89486646 
O       3.73003656       5.34290216       6.08735951      -0.61914214       1.42131439      -1.05193490 
O       3.38093657       9.09588116       1.13750995       0.86999515      -2.35506196      -1.81818359 
O       3.66428339       9.51288115       3.36019528       0.22643992      -0.26395873       1.30786512 
O       0.88027304       3.69274172       9.23166880       0.58816502      -0.77043298       0.25708868 
O       9.16548065       3.82674886       1.14444736      -0.24417353      -1.96179706      -0.05307467 
O       5.14678462       0.74200397       7.12234821      -1.13777340       1.50776792      -0.38189461 
O       6.57318220       3.65524489       8.88263338      -2.44084755       0.07256977      -0.45692563 
O       4.40684553       2.65313554       5.67437090      -0.36388318       0.62114180       0.32256041 
O       1.42531276       3.64154683       6.96327820      -0.49306816      -2.11002080      -3.77574109 
O       8.71228027       3.88983252       8.98012635       1.76189316      -1.87497353       0.00846601 
O       8.93525628       3.89785863       6.37337627       3.13981851       0.79930356      -0.71206964 
O       6.53689766       4.28668874       6.05200992      -1.23098212      -2.42231896       0.57137023 
O       6.28816277       1.11482341       9.53183355       0.24675474       1.07806363       0.11917108 
O       5.78478816       0.45899991       1.79852206      -0.14291589       2.70693024       0.87733648 
O       9.03826609       1.33533232       9.10067698       0.97726490       0.01893696       2.91597242 
O       6.47409251       8.57326130       1.48801116       0.35119468       0.64325057      -1.15661770 
O       8.80796500       9.63885233       6.60713612       1.42549591      -1.12240816      -4.42894507 
O       1.15537209       6.05542065       6.74908438      -2.02294807       1.81346527      -0.10619727 
O       8.42781608       6.89559852       7.02829360       2.32321683      -0.94890084       1.19574519 
O       9.50378529       5.95307147       9.01618481       0.03494334       2.46363627       0.98318708 
O       9.23300533       6.72316661       4.50418778      -0.19395809      -1.76687409       1.07988394 
O       6.36930115       9.31288348       6.89354348      -0.03596459      -2.77631676      -1.30379334 
O       5.94977859       6.26373110       8.39731977       2.37718591       0.53748890      -1.79199387 
O       3.40136816       7.04886387       8.24431606      -1.36641549       2.35411735      -0.86624388 
O       6.75902015       6.19617052       0.52473612       1.72605479       0.02101108      -1.08344162 
O       9.52738741       6.27416255       1.59661389      -1.66651294       0.09307645       0.52037532 
O       8.26305632       0.98285133       1.24510060       1.38988047       1.42754909       0.74733007 
O       9.02537110       9.17298199       4.16437706      -0.73978675       0.00948547      -2.26515581 
O       9.11350770       8.74638836       1.41175547      -1.83817966       0.51101497      -1.61387944 
O       6.09602668       3.88057631       3.59098368       0.68706606      -5.00057261      -1.66909422 
O       6.60072003       6.22146900       3.23113887      -2.38725924       1.54031363       0.68202043 
O       6.30518416       9.00193236       4.03844513      -0.62038219      -0.24810829      -0.27459480 
O       8.01827189       1.75068682       6.98731037      -0.90710407       3.40099882      -3.22169003 
O       1.01263782       6.29285372       3.95525317       2.89139562      -1.39247722      -0.49907614 
O       8.61190104       3.88792568       3.69097513       2.16445164      -2.46016093       2.11297853 
O       3.87107887       6.15473777       0.90511457      -0.15131853       0.91403467       0.24091430 
O       3.72403524       9.47881660       9.12736474      -1.55408911      -0.03423758      -0.55256322 
O       3.24072057       2.05550904       8.02296420      -0.47673465       0.68846835       2.82639951 
O       6.28685627       6.78204098       5.58096635      -1.58067077      -0.11097457       0.90866643 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02775406029692079 0.011942713238722601 0.007840346879938695 0.011942713238722601 -0.023906795413650817 0.0070774873336611355 0.007840346879938695 0.0070774873336611355 -0.022211027291255302" pbc="T T T" energy=-927.10300249 free_energy=-927.10308544 config_type=crystal 
Hf      10.22340876      10.17125380      10.24668956       3.72972453       1.33013072       1.78111756 
Hf       5.05398585       2.46865945       2.15437600      -4.97976249       4.83614543       1.13871305 
Hf      10.12423021       2.56661900       7.98607022       0.53345212      -1.92489636      -2.78457524 
Hf      10.43546600      10.21520085       5.31416815       3.38837857       1.44018149      -0.29879655 
Hf       7.66939524       4.99845837       7.51295433       1.10417216       0.37601965       1.51190581 
Hf       7.93795302       8.11112645       5.49342318       1.13708042      -1.60482917      -2.70837193 
Hf       7.78292525       2.67717201       0.01197731       1.22512609      -5.57569292      -0.17165513 
Hf       7.77609103      10.10050605       2.58176370      -2.16031515       1.36221866       1.04618917 
Hf       2.39816656       2.51328189       5.27475694      -1.31313561       1.74565607      -4.98065845 
Hf       5.02053901       2.85095436       7.73905775       1.22476799      -9.45747799      -2.45875679 
Hf       4.70427798       0.44209051       4.95756232       2.24284428      -0.99809995      -2.01011009 
Hf       2.08277788       2.31756290      10.16253043       1.67925869      -1.29739626       2.35040648 
Hf       2.33315827       0.15953053       2.38449530       1.96098396      -0.70969378       0.75772930 
Hf      10.21296035       2.30403942       2.78491526       2.34677897       2.75010128      -3.01263227 
Hf       2.86012516      10.28632140       7.57232992      -3.54002083       3.37402448      -0.21013298 
Hf       7.71416535       0.22327429       8.01203665      -0.10926094      -2.85538640       1.15878625 
Hf       2.33763446       4.85847974       8.05962929      -0.45319198       0.97893563      -1.51124721 
Hf       5.11229378       5.28176406       4.64312470      -1.40121630      -3.47456090      -1.54725989 
Hf      10.39905336       5.15576870       5.17694350      -0.84310762      -2.66336467      -1.55222563 
Hf       2.37504997       7.37032986       5.69180298       1.61330915      -0.26650774       2.23515768 
Hf       5.45157083       4.96653175      10.01883526      -3.68060249       2.74419173       3.89077933 
Hf       4.90026071       7.90670105       2.70123663       1.45704506       2.11481217      -2.26652673 
Hf       5.30364690       7.64983999       7.08965777       0.91234625      -3.07632437       2.39896680 
Hf       7.93662496       7.76402623      10.25469160      -2.52176547       0.43121425       3.00822746 
Hf       7.52113953       4.88555769       2.38558138      -0.85503385       0.01743011       2.61491738 
Hf       2.29779434       5.44576397       2.31055233       4.06731317      -3.16084439      -0.39000938 
Hf       0.28969772       7.81866094       2.52835259      -2.80337402       0.95836741       2.06152755 
Hf      10.25764087       5.18439805       0.18505812       2.72098388      -3.50580106       2.22987230 
Hf       7.68131080       2.49400765       5.17211356      -0.01616403       2.65863370      -5.63310280 
Hf       0.04006608       7.20337963       8.06636680      -1.02515594       4.76822031       1.27074186 
Hf       5.00708388      10.32327064      10.44363634       2.77032978       0.58489394       1.96580209 
Hf       2.58874832       7.94208863       9.98620196       3.25221983      -4.35436776       1.55385501 
O       1.01877949       9.34328559       1.52246076      -0.56243061       0.66989210       0.49195055 
O       1.45936506       6.91977805       1.18125280       0.06116041       0.19903917       1.24599187 
O       2.25082947       0.73237402       5.74385234       2.28536916      -3.90119282       1.18847077 
O       1.13755349       1.10772733       3.67984444       0.59265702      -2.19626196      -0.59145214 
O       3.99685391       3.16983258       0.25880254       2.14938747       2.23139738       0.32943689 
O       1.23259004       0.74088765       9.12764398       1.12111328      -2.49390138       0.00101634 
O       3.89825613       4.24959098       2.93065835      -1.22258862       0.65506942       0.78716859 
O       6.55824746       3.65656698       1.18881086      -1.15382482       1.88764389      -1.55324395 
O       3.77314883       1.68086356       3.59143132      -0.41523731      -1.02572841       1.16942753 
O       0.87642776       3.45603867       3.99132085       0.98599121       2.47654105       1.02812261 
O       0.59223401       1.42235700       0.78840524       0.37939754      -0.35344817       3.59255788 
O       3.81188015       6.57081569       3.75259886      -1.97741419       2.64653823       1.47136584 
O       3.32329920       1.13734427       1.07770325       0.54134365      -0.04830705      -1.05821322 
O       9.22685382       1.39205609       4.01402131      -3.58235287      -3.95357017       4.48863252 
O       1.30658366       8.87353836       7.15410591       0.52808282      -0.79818473      -2.07081232 
O       6.43284490       1.33619757       4.17876819      -0.28613315      -0.75993303       2.49410002 
O       6.78354361       9.15565823       9.58612937      -1.86890935       1.69977030      -1.43285491 
O       0.17658667       0.89875447       7.00477522      -2.09113031       0.13473651      -2.26154501 
O       4.17466973       4.22043434       8.46228745      -4.13309122       7.15051825       2.26572354 
O       0.90553458       8.44316382       9.38606001      -2.36799273       1.58106192       2.10320368 
O       1.28162240       4.02075306       1.12080317       1.09112078       1.76132124       1.50551667 
O       3.91234845       8.78751258       6.55515794      -2.67539062       0.91591775      -3.45313335 
O       9.12587425       9.27356343       8.87657209      -1.67519233      -1.51115871      -0.52893607 
O       1.35376226       5.88602468       9.50569380       0.24055652       0.61335813      -1.37731032 
O       1.28345776       8.42642826       4.64754824      -2.69058000       3.70118703      -3.24708027 
O       3.47040719       5.59647547       6.13761894       0.87258828      -0.30000291      -0.82020657 
O       3.54743476       9.18780265       0.72235912       0.79113631      -0.97533188       3.54298952 
O       3.89105685       9.49214122       3.51440155      -3.88978992       0.55103874      -0.29633314 
O       0.79484687       3.52696936       9.23916668       1.07253336       1.94390612      -1.04311282 
O       9.26836246       3.29417847       1.29876562      -2.03901630       4.54174474      -1.77070987 
O       5.08060516       0.74446531       7.05498262      -0.09732293      -0.45152072      -0.80319093 
O       6.35080957       3.74014775       8.90960540       4.20485489       0.89703270      -0.33620469 
O       4.15287282       2.78081397       5.98154309       1.21860868       1.32700482      -1.46297546 
O       1.33087906       3.26410259       6.63755561      -1.14328399       3.45784553       2.71936619 
O       8.74531495       3.60706866       9.11754787      -0.08979611       2.79396753      -1.53990616 
O       9.15990531       3.97368666       6.50170350       0.65418679       1.06548038       0.31623920 
O       6.49249983       4.15568478       6.11572061      -0.27441285      -0.50070211       1.04663995 
O       6.15057902       1.42226845       9.52333877       1.27361427      -1.07994726      -1.19869537 
O       5.82062056       0.89654129       1.81141067       1.71023867      -4.51428797      -2.51273169 
O       9.40025301       1.28172979       9.46968243      -4.49848639       1.17292343      -2.62540444 
O       6.68205308       8.86315871       1.57788442      -4.33444266      -2.01773841      -2.55928097 
O       8.91210955       9.58500792       6.25989451      -1.60691793       1.03071483       3.84168623 
O       0.95994375       6.12989268       6.86358492       1.45583669      -2.78088980      -4.02082503 
O       8.65363983       6.79792396       7.21560248      -0.74545445       1.26290465      -2.64074624 
O       9.41280994       6.01414478       9.15417580      -3.10224299       0.91353454       1.33699891 
O       9.37241773       6.75104501       4.70344863      -0.95712559      -1.20011474      -0.38684895 
O       6.49434356       9.01891806       6.55047787       1.05191421       1.78111156       1.89470461 
O       6.42629180       6.52187333       8.52850689      -0.97133036      -1.40992925      -0.19470418 
O       3.13801167       6.89926807       8.19655502       1.08189108       0.20732925       0.74306291 
O       6.54550747       6.38128631       0.63309541       2.57933597      -1.64427038      -0.89656107 
O       9.58354778       6.58281529       1.46681386      -2.04310248      -3.71966704      -0.20740972 
O       8.29579396       1.06516694       1.23981318       0.54926963      -1.17073567       0.57152513 
O       9.06933061       9.15383481       4.00460445       0.39343392       0.24630526      -0.94849532 
O       8.78565734       8.67118139       1.60906427       3.96951586       0.41596460      -2.90100424 
O       6.27533853       3.64799882       3.56087169       1.16450481       1.81586805       0.64916507 
O       5.98398172       6.15556973       3.03020698       3.08500313      -0.18470836       0.25656054 
O       6.04415891       9.38229228       3.75684532       2.15187546      -1.36598190       2.44326326 
O       7.96327745       1.87664848       6.91958223      -0.20290689      -2.26949392       3.36536248 
O       1.23164766       6.17625900       3.97793699       0.77715108      -0.85358207      -1.32822999 
O       8.89155184       3.71386252       3.86164212      -1.28183064       3.23537006      -0.39120160 
O       3.81129645       6.37258105       0.88972360       0.29114402      -0.08447231      -0.42897182 
O       3.87590755       9.51161620       8.99131963       0.76952036      -1.02926365      -0.04908503 
O       3.05670772       1.97714284       8.35993670       1.91760045      -0.27511822      -0.44574771 
O       6.30051613       6.70206100       5.55690937      -0.72724621       0.34244727       1.02623017 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009922705932422005 0.012754761363198643 0.017594121493250042 0.012754761363198643 -0.034998754826419204 -0.02680502050925945 0.017594121493250042 -0.02680502050925945 -0.012604886101705874" pbc="T T T" energy=-928.10573705 free_energy=-928.10603178 config_type=crystal 
Hf      10.36963758      10.37750325       0.25779130       1.16760149       0.73255600      -0.15381781 
Hf       5.29057817       2.50335041       2.18758735      -0.78633907       0.84954837       0.54648701 
Hf       0.00891312       3.02271245       7.52823425       0.09478105      -7.63590938      -2.77996536 
Hf      10.21407625      10.35413662       5.73958046       1.32905968       3.93194193      -0.27382960 
Hf       7.50919383       5.18820178       7.65872275       3.42567313      -0.22826525      -0.80794826 
Hf       8.11284929       7.75685793       4.93956715      -6.08474269      -1.54070697       0.96388943 
Hf       7.96857607       2.42752635       9.94140160       1.13063884       1.61654481       2.82849489 
Hf       7.86609198      10.28297232       3.16256004       0.67234239       2.54787919      -5.71304981 
Hf       2.77466686       2.39019184       5.12942570      -2.80438719       1.07277218       0.49394475 
Hf       5.01805926       2.40125472       8.06709629      -2.41479619      -2.79598635      -2.20087176 
Hf       5.00338188      10.28379831       5.13312550       1.70125239      -0.12357091       3.01301662 
Hf       2.48002784       2.83647270      10.20415147      -0.67052066      -2.81091822       1.15711612 
Hf       2.81413166      10.13288324       2.46181163      -3.54409357       2.95574541       0.08247144 
Hf       0.11507419       2.60975335       2.43163820       0.79903133      -2.77192110       1.14871256 
Hf       2.59731187      10.43505426       7.60220569      -0.80305868       1.13742425       3.06466238 
Hf       7.63828310      10.12659724       7.83315663      -2.49585984       1.02960075      -3.85499464 
Hf       2.46688952       5.25781436       7.39798438      -1.21873672       1.99812958      -2.14931896 
Hf       5.09893399       5.14173154       5.44258581       0.95728441      -0.22826655      -3.75817297 
Hf      10.23129535       4.87623921       4.58111634      -0.59171890      -0.18734904       4.13893449 
Hf       2.42790459       8.01432906       4.99356866       0.47939442      -4.07121503      -0.51711122 
Hf       5.00441102       4.96881380      10.30297511      -0.25449104       2.86025128       3.12965503 
Hf       4.61815748       7.64088322       2.30399797       3.79970762      -4.86354080       0.37483594 
Hf       5.06639332       7.55677569       7.89063606       5.86192624       1.68950339      -4.73379419 
Hf       7.87123392       7.81108582      10.37290660      -0.57317233       1.08059164       1.26921483 
Hf       7.41600341       4.93764713       2.08921773       0.33171134      -2.07651021       2.58343520 
Hf       2.36618259       5.19980597       2.49235650       3.88927303       0.09997898       0.31446809 
Hf      10.01768345       7.62021331       2.57490059       1.69031852      -0.96098229      -1.49431266 
Hf       0.02147193       5.04534537       9.86796174      -6.12582791      -1.28337006       1.92223183 
Hf       7.49525201       2.26734252       5.00808539       1.64765691       2.00718121       3.84206355 
Hf      10.03000102       7.70997490       7.68798845      -1.08943343      -0.62038038      -0.50176230 
Hf       5.37526909       0.00502252       0.23684686       1.92852241      -2.37289259      -4.09850627 
Hf       1.92334155       7.69735800      10.38490672       3.56225467       0.73459122       0.32069153 
O       1.08576139       8.93226159       1.32622547      -2.61938997       0.14069094       0.29331694 
O       1.43864471       6.83305031       3.16013931      -2.38596576       1.62937374      -0.80307081 
O       3.96220221       1.21930131       6.48427905       0.18250345      -2.16784954      -1.70596470 
O       0.87556911       1.72963312       4.16781793       0.44315439       0.64280552      -0.45498751 
O       0.74624770       3.78711304       0.98591552       4.46239765       0.32986572      -0.72394997 
O       2.72348997       1.99692521       8.29237361       1.27487392       1.18240738       3.24549969 
O       3.60552521       3.91803265       3.83209541       1.20561651      -0.90560610       1.80554500 
O       3.71340075       3.77080890       1.32184223      -0.87112519       0.07740262      -2.20248488 
O       3.34313098       1.18722890       3.75015448       2.74270036      -1.39763873       0.67159935 
O       1.18937394       4.11985364       3.58398022       0.60740950      -0.44804448       0.04047867 
O       1.61397062       1.31805472       1.26336328       0.55483112      -0.51671414      -1.02173052 
O       3.35355301       6.60467144       1.09784294      -1.53849793      -2.85899541      -1.64283807 
O       4.34925715       0.74835172       1.60446239      -1.27148359      -0.29416790       3.02212125 
O       8.89320257       0.88423251       4.57630775      -2.05111290       1.59097872      -2.59616589 
O       0.74427964       9.16907119       7.07626240       1.30876143      -0.16765809      -1.31541227 
O       6.30079704       1.04139747       4.13565603      -2.17316773       2.10636704      -4.17596977 
O       6.22800818       8.53259278       9.57528482       0.23682831       0.26150268      -1.58345670 
O       1.23815523       1.24332553       6.70004688      -0.78357417      -1.78297954      -1.73527585 
O       3.57951241       4.89332800       8.86485057       1.96505758      -2.54469069       2.63746395 
O       1.35695979      10.12867007       9.35531240      -1.12318879      -1.52187410       0.58761416 
O       9.04681101       4.06735329       0.42339306      -3.09892388      -0.64154145      -0.95097323 
O       3.65056472       8.99322291       6.30192676      -1.29586902       0.52657931       0.77057957 
O       8.98590453       9.30925547       9.11560063       1.30504318      -2.09595289       1.60329617 
O       0.65575557       6.22729522       0.70363540       2.10738804       4.60999383       1.90070976 
O       1.63539189       9.61243543       4.23651116      -0.11257802      -0.83370867      -0.46658400 
O       3.79514972       6.38815276       3.75725884      -1.24437558       1.02057379      -0.18815627 
O       3.22906583       8.79463891       1.08828741       4.39721208       1.42120612       0.77417391 
O       4.37587541       8.94866484       3.70798240      -2.88914739       1.88867016      -0.25341806 
O       1.18225620       3.92568825       8.95502076       3.99978918      -0.83624639      -0.66317798 
O       6.44305709       4.01015551       0.66346278       1.24441730      -4.52360477      -1.58828959 
O       6.37445774       0.77976121       6.39865873       1.37063592       3.03297732       2.16748682 
O       6.78719014       3.37832012       8.54261103      -0.56902425      -0.76520319       1.70459140 
O       4.21977016       3.50081935       6.57049563       0.36995133       3.14618966      -0.51063454 
O       1.58155638       3.77588794       6.57806447       0.39124719       0.69350431      -2.92451135 
O       9.50103257       4.50097330       8.00724366      -2.92414576       2.57211069       1.44676674 
O       9.44948916       3.38892259       5.79139401      -0.00163497       1.21774831      -1.61128294 
O       6.85461026       3.94354903       6.29406696      -1.22423267      -1.58410519      -3.23389604 
O       7.10817635       0.68834722       9.40723899      -1.98376428       1.23866603       1.26795319 
O       6.79795986       1.52802302       1.40395721       0.20584267      -0.56904368      -1.29362055 
O       9.79701127       1.89455500       9.25531728      -0.99384201      -0.28071581       1.32470461 
O       6.69022174       9.11714104       1.39698316      -1.89192661       0.18331269       0.76274224 
O       8.60911107       9.03754266       6.49653173       3.03791663      -1.02051857      -1.05943444 
O       1.35654784       6.84970433       8.12432757      -0.37451560      -0.84698858       2.75221763 
O       9.17945774       6.53200691       9.20850909      -0.54607149       2.79155014       0.32315830 
O       8.23025818       6.47268031       1.50815932       2.51134989       4.75491535      -2.14998665 
O       8.82667574       6.57947218       6.45579906       0.95015409      -0.44348038       0.81789678 
O       6.11784640       8.95413731       6.83548537      -0.06893810       0.23499048       0.94093868 
O       6.60419763       6.04846439       9.18514466      -2.46388813       0.32665714       1.32267996 
O       3.91211485       6.40421765       6.33391503      -1.75552462      -0.41157918       1.77045224 
O       5.47712081       5.55181390       1.82857900      -0.49279292       3.21257312      -0.78921963 
O       8.93982834       6.24209778       3.88367379       1.28097948       2.53383727      -0.89365866 
O       9.47722804       1.06233165       1.69083177      -0.71464635       0.27026274      -0.43378529 
O       9.35768980       9.16267446       3.96087415       1.39412081      -3.89981944       0.18465285 
O       9.11648942       8.97127770       1.49161791      -0.53990882       0.03717498      -2.28651314 
O       6.76220826       3.39114928       3.36247764      -0.97418485       0.29991499       1.08627887 
O       6.30390079       6.86886240       3.89572698       1.51763006      -0.40411271       0.52607849 
O       6.78018386       9.42798708       4.32328464      -0.23197009      -4.46781829       2.36184964 
O       9.03179431       1.08235297       6.89545649      -0.40688403      -0.66687170       1.78440219 
O       1.12878155       6.51138662       5.51999236      -0.08947204       0.13908969       1.27899101 
O       9.27005725       3.94720247       3.12479715      -1.77374326      -0.29525974      -0.61992617 
O       3.86715896       7.37986467       9.13578082      -5.92067970      -0.58337679       4.52712674 
O       3.81862991      10.12738074       9.32125874       2.26183483       0.34842723      -1.40033352 
O       4.43203118       2.02484663      10.12386965       2.10123077       2.19910568      -1.69444848 
O       6.37301801       6.27013024       6.46493071      -1.08838715       1.38706421       1.20010438 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.026379495201282122 -0.007125497827012107 0.012032026718985813 -0.007125497827012107 -0.02834392104493752 0.0035518657407187155 0.012032026718985813 0.0035518657407187155 -0.00624310554787993" pbc="T T T" energy=-930.2580024 free_energy=-930.25820231 config_type=crystal 
Hf      10.37272543      10.11858798      10.38798462      -0.44974999       0.38642330      -1.88129882 
Hf       5.29706941       2.40546904       2.77780651       1.38284000      -0.09446004      -0.57931550 
Hf       0.49170208       2.63775965       7.81246537      -3.92473988      -2.68933652      -0.23301299 
Hf      10.23697295       0.18305195       5.21176193       4.47759100      -0.83770749       0.38481781 
Hf       7.95258037       5.28880656       7.65517911       0.09543509      -0.89253035      -2.45574785 
Hf       7.80211849       7.84314641       4.92110499      -3.65601240       2.02454365      -0.00701241 
Hf       7.43350886       2.31384918       0.06724471      -0.27060157      -3.17003687      -1.09902137 
Hf       7.41582863      10.04125826       2.27285758      -1.86644597      -0.39197407       0.94543272 
Hf       2.61307083       2.53284845       5.06491895       0.49559272       2.60331966      -1.16933941 
Hf       5.74895911       2.29940017       7.66525649      -3.69508288       0.48356270      -1.85098659 
Hf       4.59055989      10.08753592       5.33898571       3.66879588       0.72406921      -3.20840297 
Hf       2.49916110       2.69234507       0.09124140       0.04892017       1.03586085      -2.88142833 
Hf       2.48613602       0.18586611       2.33026740      -1.15436275      -1.96542641       3.38958093 
Hf      10.14680580       2.52590580       2.26229017       3.23189999       0.33895751       2.80906346 
Hf       2.61216424       0.19257557       7.87076985       1.48310718      -0.22865930       0.19375155 
Hf       8.09010320      10.18119501       7.73136289      -1.88530555       1.48422704       2.95584733 
Hf       2.45723172       5.47151627       7.29867197      -1.80276566      -3.30469684       2.08631165 
Hf       4.89649707       5.25728833       5.26875248      -0.54553929      -2.45954854      -0.03836157 
Hf      10.14662264       5.34501529       4.81822140       1.39546103      -1.40350988       1.56758345 
Hf       2.12572583       8.02606733       5.43274946      -1.97841614      -2.17645864      -2.53848386 
Hf       5.07032422       4.97099296      10.46329437      -1.43157672       0.73613763      -4.17296635 
Hf       5.04072266       7.84806950       1.95455856      -0.74702211       2.47803434       2.73865800 
Hf       5.42463575       7.71559692       8.22193619      -2.36411197       1.47101146      -0.93000016 
Hf       7.61511941       7.21935084      10.36929335       0.96101220       2.93754363       2.88791646 
Hf       7.34660863       4.82097276       2.60969160       2.76404360       4.22390563      -1.08200206 
Hf       2.40118533       5.24289594       2.72286451      -3.91057828      -5.06893895       3.88467937 
Hf      10.07181349       7.80288388       2.29182421       2.19859742      -0.07160990       2.04542641 
Hf       9.94505085       4.97388195      10.22252018       3.43368243       0.07065185       3.20522522 
Hf       8.02566469       2.33461496       5.12669349      -3.63554094       1.39121858       2.74574425 
Hf      10.34322152       7.65010195       7.89339673       2.78548384      -2.26750825      -1.41064916 
Hf       4.80496690       0.30470363      10.31256655      -0.04351964      -1.37918112       1.20367894 
Hf       2.31626844       7.44870411       0.22688691       3.30542794       4.88109931      -3.26360499 
O       1.42300423       9.00208035       1.40222589      -2.23320940      -1.95870592      -0.32131286 
O       1.03648223       6.33673117       0.79193381      -3.78974182      -3.22851123       1.90854755 
O       4.01424968       1.48590651       6.21305627       0.73899779      -2.80288127       1.43563500 
O       1.46702747       1.39244449       3.96620124      -0.97800565      -4.20580035      -0.61793236 
O       3.79137928       3.94017075       1.07322403      -2.14933789      -0.11838265       0.59657639 
O       1.33822738       1.13556888       9.07614599      -0.67581549      -0.94138057       1.08473968 
O       4.15880297       3.84965790       3.76952815       1.32136125       0.62277780       0.56546269 
O       6.14336436       3.42128209       1.15897361       0.87223928       3.39745114      -0.66773051 
O       3.97998993       1.36743404       3.44514503      -4.22141175      -4.39954487       3.49299524 
O       1.53817387       3.42953668       3.16944659      -2.02905736       0.83796757      -2.78936646 
O       0.71592335       0.80090220       1.42014047       0.19837171       2.98681557      -0.03862822 
O       3.38143580       6.53941897       2.07159140       4.75301981       6.34291547      -4.83848240 
O       3.60252915       1.29923974       1.17338494      -1.99167895       1.62619153      -1.51566888 
O       9.27697865       1.31454279       4.00245720      -0.45890347       0.32773331      -5.02406463 
O       0.66087166       8.82649572       6.50298937      -0.07782380       3.92565480       0.57808661 
O       6.44321879       0.67857639       4.23482610       1.16341372       2.76978341      -1.71076718 
O       7.10467645       8.54274531       9.00482114      -0.35624791       2.26532699      -2.15813858 
O       1.45034299       1.48296163       6.40682677       0.88664427      -2.33061027       1.67416186 
O       3.60348723       5.15688074       9.05441763       2.40409632       0.19836847       2.63980157 
O       1.51620009       8.98970543       9.30588661       0.38625097       0.05827640      -0.41244863 
O       0.79662403       3.70634046       0.47680187       0.56367778      -2.02721440       1.70321857 
O       3.30989650       9.05504937       6.46106889      -0.83765018       4.47830704       4.44383647 
O       9.39493042       8.91555963       8.91066689      -0.21323058       3.03948629       0.36852972 
O       1.11675704       6.29839515       8.78454488       0.09763259       0.06300756       0.62520324 
O       0.46100806       9.24807949       3.91155742       0.54812396      -0.70223050       0.04497179 
O       3.06628282       5.87678553       4.50413953       1.34015914       2.15892439       2.33698865 
O       3.80489145       9.31714102       1.31423540      -0.06615018       0.84033732       0.24355252 
O       3.38582899       8.89359201       4.23974008       0.39949300       1.25355924      -4.03878242 
O       1.93169514       3.45426266       8.61043651       0.70153848       1.84763041       0.77282438 
O       8.80662208       3.41404220       1.12667565      -0.54216155       0.47743708      -1.93833602 
O       7.02010516       1.11316044       6.76125123       0.79799388       0.16162806       0.43671136 
O       6.28743725       3.71165813       9.08687960       1.52976117      -0.14705479       0.15166325 
O       3.51202133       3.91502131       6.61533105       2.88659885       1.25173993      -1.62952207 
O       1.33997231       4.22783258       5.52872023      -1.50831328      -1.47555304       1.07320876 
O       9.60410246       4.01717310       8.52488705      -1.47677254      -0.29759385       0.20483715 
O       8.68811727       4.24001440       6.04069230       0.44397558       1.14346416      -0.15149436 
O       6.25041422       3.20126656       5.95480143      -0.61473525       1.88629716      -0.19021930 
O       6.33088611       1.09241580       9.24490833       2.45869726       0.56232455      -0.50716542 
O       6.10351493       1.04794345       1.16587377       1.74147251       0.74689957       2.90068245 
O       9.30940901       1.26150940       8.93560617      -0.80569346      -1.30647795       0.39405325 
O       6.33012491       8.96263816       0.84001585       1.42729851      -0.02078500       1.50416350 
O       8.62068983       9.62296579       5.97344843       0.38658467      -1.00334529      -1.27020991 
O       0.89622165       6.53723070       6.27231004      -0.42077646      -1.14620813      -0.63145057 
O       9.08533646       6.26767728       9.09230119      -2.04830475       2.92719348      -0.40360204 
O       8.89819955       6.01928400       1.39120237      -1.12341195      -0.02288223      -1.40053444 
O       8.72404648       7.07022926       6.55011606       0.05180152      -1.39461152       1.81841533 
O       5.85218965       9.18341637       6.53053694       1.74105328      -2.57908382       0.68660582 
O       6.65446114       6.25797218       8.99928232      -1.65544142      -1.98952196       1.68647240 
O       3.62280229       6.96708957       7.27247863       1.39216858       0.20319929      -1.71891278 
O       6.09047383       6.36163664       1.21914118       2.45381405      -2.96188587      -1.43497229 
O       8.72222944       6.46588900       4.02508209       0.55487512      -0.68887901      -0.97418356 
O       8.56222930       0.52285451       0.85659913       0.32303854       2.28814271       0.84539527 
O       8.59205786       8.68468070       3.30917590      -1.08370894       2.13582587      -0.07565443 
O       8.96539067       8.63424219       0.88520545       0.95800890       0.14486383      -1.36883376 
O       7.05879316       3.14554723       3.34404415      -0.71330154      -1.98747509       2.25123861 
O       6.26525466       6.23486783       3.66076267      -1.35326687      -1.36769737       2.22007573 
O       5.99339669       8.98770168       3.67362469       0.03112653      -2.38822437      -1.76554818 
O       9.48530428       1.76198079       6.41258318      -0.21608048      -0.81554016      -0.36202299 
O       0.78818084       6.54887979       3.29760217       0.75406756      -2.43504367       1.65154576 
O       9.11463722       4.12136893       3.50142535       2.45083675      -1.30659706      -0.38545762 
O       4.45390585       7.55880299      10.20396549      -0.14344793      -1.77420233      -1.32152880 
O       4.70571896       9.85855598       8.66450228      -3.05707805      -2.06623207      -2.07736503 
O       3.76193911       1.81626039       9.11901565       1.11910239      -1.40916877      -0.27492161 
O       6.19627089       5.77116755       6.84787840      -1.39938986       1.31961885      -2.65451344 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04409794168930118 -0.0023111526356882415 -0.008431582245442288 -0.0023111526356882415 -0.01556110155792382 0.002213142317748643 -0.008431582245442288 0.002213142317748643 -0.017919889372536274" pbc="T T T" energy=-927.13810856 free_energy=-927.13839615 config_type=crystal 
Hf      10.45916012      10.15334906      10.31943080      -3.44272997       0.77135250       0.65622357 
Hf       5.15971865       2.31779295       2.77669123       1.03610544       0.46645815       2.28296323 
Hf       0.54592369       2.57809184       7.73877976      -3.30270390      -1.06745672       3.57381135 
Hf      10.24164590       0.28106143       5.22406819       2.89005324      -1.39442981      -2.25554270 
Hf       7.77775558       5.29632830       7.58386106       1.39350972      -0.12532820      -1.03368402 
Hf       7.67875778       7.83298237       4.95323622      -1.21430428       0.37184089      -1.45903135 
Hf       7.49260616       2.29815480       0.15840751      -0.61078313       1.27337450      -1.08219341 
Hf       7.53422919      10.08378169       2.15481014      -0.21688162       1.28682664       1.55945648 
Hf       2.50425542       2.49283669       4.83013780      -2.00932372      -0.63186876      -0.16049098 
Hf       5.83617082       2.28037021       7.56481750      -1.53203844      -2.11890115       0.93228666 
Hf       4.61361379      10.11467059       5.33332548       2.92859429      -1.27214415      -2.15792854 
Hf       2.54657341       2.63512196       0.17361343      -4.78724455       5.71733865      -3.15849433 
Hf       2.55513601       0.25457849       2.25169251      -4.79285174      -4.23889155       1.48300812 
Hf      10.21547161       2.67591397       2.30765602       0.52896658      -0.84545525       0.49380217 
Hf       2.60792721       0.03579336       7.97457163       0.44156706       1.22131694       2.89356938 
Hf       8.11321916      10.13981019       7.83077484      -1.92471970       0.95109081       1.13088594 
Hf       2.41747136       5.39772485       7.25163593       1.24655673      -0.04327231       1.88123264 
Hf       4.87463820       5.08601106       5.32508450       2.65232041       4.49048899      -4.60753096 
Hf      10.08871975       5.33215944       4.84012339      -1.68608150       0.19427774       2.92587689 
Hf       2.05647402       8.12640103       5.38195930       0.76545529       1.27454872      -1.38513321 
Hf       5.01537876       4.91970984      10.31597036       6.62531305       0.80847450       3.97384420 
Hf       4.96715250       7.78024873       2.01910497       5.72846640       1.83880894       2.33254397 
Hf       5.34777229       7.82796885       8.19841885      -0.80225225       0.87420168      -1.95296753 
Hf       7.54487216       7.17508614      10.31082968      -1.47161994       5.15783115       1.75824272 
Hf       7.39503522       4.77628219       2.63327802       0.23789623       2.20797835       1.20230230 
Hf       2.24564169       5.32402961       2.95933689       3.00526559      -1.42564050      -1.04726858 
Hf      10.03964510       7.78153168       2.28563105      -1.86376585       0.10440898       0.00629083 
Hf      10.02364877       5.04427552      10.14165852       2.50174066      -0.67783591       1.81828898 
Hf       8.12043571       2.37293098       5.28837577      -1.99925459       1.97957786      -2.48245478 
Hf      10.39035930       7.70945473       7.88811381       2.00259876      -0.68117321      -0.79576811 
Hf       4.87447461       0.42506723      10.37379151       1.78497897      -1.86785644      -1.84022379 
Hf       2.45453417       7.36299630       0.29181022      -5.73937607       1.93253364      -7.77573857 
O       0.85162475       8.92766776       1.17104909       3.69657374      -1.38986159       1.42201791 
O       0.82969775       6.14411510       0.98446113       1.66523475       2.14837965      -0.25200288 
O       3.96718883       1.03943893       6.55937498       3.09467063       3.75405513      -0.20364834 
O       1.19136723       1.17413191       3.84414316       1.26616444       2.83158349       1.56631472 
O       3.59781444       3.95108365       1.18152827       0.70536054       2.05235570      -0.46935347 
O       1.22609419       0.78313938       9.26727690       1.67083020       2.57850774      -0.69993438 
O       4.40843273       4.08533873       3.65167602      -1.81845318      -2.37296881      -0.62613268 
O       6.44616984       3.91660390       1.17908661      -1.95027879      -3.57749514      -1.74342880 
O       3.54688748       0.94911992       3.65190544       3.36691542       3.28514577       2.96297776 
O       1.51196180       3.42495845       2.85866806       2.41666981       0.60597214       2.48960495 
O       0.56156919       0.99481304       1.48436599       2.41660839      -0.20176904      -1.37606436 
O       3.24786480       6.98955851       1.85419953      -0.43047721      -4.40219240       5.52759165 
O       3.74525243       1.65707797       1.26033897      -0.21504112      -4.60789430       1.63636392 
O       9.14340336       1.36923789       3.68257863      -0.65115443      -1.02609616       2.00510774 
O       0.87908858       9.20509836       6.74599245      -0.87271876      -0.09759111       0.54969649 
O       6.21840879       0.89162939       3.84369049      -1.50829630      -2.20718578       1.63403932 
O       6.85764828       8.84842031       8.98915637       1.58093184      -1.02492093       0.06458032 
O       1.67798577       1.45521773       6.52234065      -0.63793436       0.62745279      -0.61263318 
O       3.68161134       4.86366344       9.23388774      -4.61673182       1.04119482      -5.77015697 
O       1.84588476       8.58468945       9.20471603      -0.18415535       2.22114992      -0.12563176 
O       0.78697388       3.74778923       0.80622656       0.02126290      -1.10719764      -2.48911358 
O       3.14620294       9.48617863       6.62552126       1.62076644      -6.88039811      -7.26466181 
O       9.36020514       9.08255779       8.99521191       1.99313080      -0.65057782      -1.55615315 
O       1.19675429       6.30324592       8.74606276      -0.53321859      -0.85847866       0.72435374 
O       0.81598232       9.45671607       4.10749724       0.16898476      -4.13181284       0.19268880 
O       3.06122995       6.03591542       4.73368465      -0.20229287       0.59333780      -1.60849048 
O       3.78675468       9.30701047       1.17884411      -0.59053884       1.96788873      -0.86520793 
O       3.36034453       8.91832396       3.90286901       0.00186666       0.15486766       1.31958924 
O       1.71936442       3.69546084       8.87504350      -0.56027658      -1.39259856      -1.71595723 
O       8.88364975       3.43883862       0.96151462       0.84519288       1.94398004       0.15323601 
O       7.23814008       1.01693587       6.62306254      -1.22824428       2.09836718       0.81942351 
O       6.61527862       3.62036638       8.97053208      -0.49558889       0.03276523      -1.22559606 
O       3.81635173       4.06440988       6.32596009      -4.79327097      -5.05944280       4.62290104 
O       1.19399529       4.09403572       5.20407398       1.17261940      -1.63133877       1.86522313 
O       9.58658685       4.01465179       8.49131022      -0.59608540       0.47620906      -0.32027925 
O       8.63375928       4.42905857       6.00961909       0.24019903      -2.55616176      -0.34395466 
O       6.33384930       3.07359765       5.90466456      -1.16703806       2.35884579       0.22961656 
O       6.53251295       1.10929024       9.34648500      -1.63929777      -1.34615424      -2.17986714 
O       6.11918346       1.22940569       1.46404722       0.26757158      -1.11359514      -3.37177510 
O       9.27595098       1.20590594       9.04592232      -0.20244543       0.02230103      -0.97538533 
O       6.46755208       8.87364563       1.16053182      -1.73376386      -0.76187059      -1.96430257 
O       8.97627646       9.43751038       6.01732075      -2.31324514      -0.75590171       0.83158259 
O       1.03992603       6.47329226       6.29131090      -1.86273735       1.30108621      -0.85463173 
O       9.03403492       6.62810840       9.00567162      -0.34568539      -2.12799033       0.80074136 
O       8.65673824       6.39131628       1.18565583       2.94726310      -3.17257676       1.66085828 
O       8.77720243       6.81878592       6.53176452       0.27899317       1.02561828       0.28043503 
O       6.14002041       9.33052938       6.64259132      -0.77865495      -2.13327854      -2.04532543 
O       6.58590502       6.13331325       8.92686867      -1.49070872       0.04979487       0.50818422 
O       3.72104149       6.88325635       6.91570796      -0.18989243      -0.05333585       1.33591893 
O       6.27886334       6.11951335       1.19361035      -1.53745509       2.32097280       1.33685489 
O       8.99614643       6.71719366       3.92914137      -1.22711448      -0.17882627      -0.49087267 
O       8.34268306       0.70038659       0.71634807       2.62180111      -1.11091575       1.74702075 
O       8.54659447       8.95378282       3.38865403       0.76470704      -0.28954989       1.39596106 
O       8.95183725       8.78521054       0.92217657      -0.24350519       0.18715808       0.11792790 
O       6.88628318       2.97805370       3.36772121       1.76851238       2.45391450       0.81019762 
O       6.38150128       5.97027131       4.05533967       1.38564655      -0.89442851      -1.99051806 
O       5.90910055       8.46068350       3.66280347       0.74187463       0.26008626       1.14092779 
O       9.54848004       1.66345858       6.60201020       0.30724048       0.69441471      -2.04337809 
O       0.75201573       6.36490147       3.47780679       0.61746839       0.89285986       0.21118858 
O       9.14604325       3.91253266       3.73187024       1.08808889       0.70537537      -1.66232396 
O       4.82465424       7.18078143      10.04419549      -3.30444265       0.35493474       1.17740511 
O       4.55280809       9.75350369       8.55896991      -1.76289705       0.71434259       3.19708429 
O       3.94847066       1.88432816       9.27647533      -0.06009258      -0.84465981      -0.40785430 
O       6.16618737       5.91830568       6.45209769       2.63184497       1.62054048       3.19070470 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04782721337659904 0.0005240170647233551 0.007647390943628979 0.0005240170647233551 -0.01431416973775879 -0.0016984375035014867 0.007647390943628979 -0.0016984375035014867 0.010333100829878244" pbc="T T T" energy=-927.59629939 free_energy=-927.59631059 config_type=crystal 
Hf       0.01908009      10.18995648      10.27050090      -1.85944370       1.38557453       2.47564520 
Hf       5.05258285       2.24647616       2.79750296       3.72253446       1.66723906       2.04903837 
Hf       0.53921548       2.50849444       7.72478384      -1.83515275      -0.85705416       1.97302949 
Hf      10.29937244       0.34208314       5.20770230       1.18712808      -4.80381743      -1.75208214 
Hf       7.65864133       5.29600678       7.50587322       1.81045814      -0.63822362       0.65309152 
Hf       7.55230578       7.83609031       4.96291923       1.04055569      -0.43065155       1.89273698 
Hf       7.53206248       2.29139583       0.20861607       1.53824038       2.69525680      -4.46224585 
Hf       7.62481813      10.12823615       2.08140388       0.42605837      -0.10543333       2.97582003 
Hf       2.39268185       2.45808985       4.63490465       1.32003977       2.43329560       3.36569214 
Hf       5.87767956       2.23665070       7.48936101      -3.85314065       0.17793767       1.36994047 
Hf       4.67965247      10.12206192       5.29086275       1.88003032      -0.13120463      -0.47433919 
Hf       2.52187024       2.66757754       0.19553394      -2.15692155       3.81889360      -0.82546445 
Hf       2.54668906       0.24744064       2.22426667      -4.59952197      -6.57203044       5.46908142 
Hf      10.28953442       2.78908102       2.35856414       0.89160300      -2.11111439      -1.87519441 
Hf       2.61748191      10.37429672       8.07250428      -1.07381354       0.19408624      -4.01828931 
Hf       8.10365546      10.12318819       7.92960298      -1.57497862       1.89984072      -1.50192730 
Hf       2.38591755       5.31582244       7.24592389       2.20837567       0.05601565       0.99922791 
Hf       4.87970164       4.98513939       5.32889901       1.13808103       1.18616076       0.18325661 
Hf      10.02247823       5.32438358       4.90435980      -1.88101552       0.71778304       3.44420566 
Hf       2.00839627       8.21081805       5.31719110       2.18687444      -9.01360630       0.64783523 
Hf       5.02530344       4.88669515      10.21894450      -0.92891107       0.54785988      -0.26581665 
Hf       4.97723563       7.74764286       2.11658643       0.02264887      -0.04096264       1.69904629 
Hf       5.26645379       7.93605842       8.15210675      -1.33689517      -0.84266175      -2.11009272 
Hf       7.47294121       7.20832438      10.29777592      -0.19737281       1.61251282       3.03761746 
Hf       7.44389782       4.77663699       2.66238013       0.96198490       0.28684668      -1.38938275 
Hf       2.16492510       5.36785672       3.14290116       5.66754066      -0.02835821      -2.63568860 
Hf       9.99252543       7.76618802       2.28295945      -0.82769143      -1.26098113      -1.27719062 
Hf      10.12795555       5.09726285      10.10044734       1.26949447      -0.86952524       0.62971919 
Hf       8.16350277       2.43698674       5.39492451      -3.97500390       2.48901684      -5.41076860 
Hf      10.46313937       7.74009516       7.86666563       0.26382772      -1.58593784      -1.69438581 
Hf       4.95565611       0.49392499      10.40014279       0.28895491      -3.63959102      -2.43340186 
Hf       2.50658111       7.32070050       0.25540155      -3.54111698       0.24989131      -1.64653238 
O       0.88358277       8.65942555       1.11329943       2.41465170       2.39675400      -0.55066299 
O       0.84292012       6.22649226       1.12300191       0.91204928      -0.05811614      -0.52080432 
O       4.33532025       1.06743466       6.85304692       0.81721121      -2.03274696      -1.15294845 
O       1.10068556       1.24012329       3.93502871      -1.49270958      -0.60029102      -1.04388404 
O       3.53919022       4.26284359       1.17989471       0.51892098      -1.23702322      -2.74932443 
O       1.37841277       0.84797006       9.34434718       1.02435943       1.92090105      -0.64064657 
O       4.39149517       3.95737582       3.54680187      -1.40873572       0.11211117       2.25308785 
O       6.40922394       3.92950276       0.93388395       0.02164948      -3.23934712       0.82945503 
O       3.54937478       0.95929746       4.25242501       0.58346174       1.16240092      -3.00542091 
O       1.74441129       3.49577035       2.84798929      -0.10100633      -2.95341447       1.59733847 
O       0.81419385       1.21822183       1.36877068       2.60643815      -2.67030111      -0.33942059 
O       3.06316327       6.84821311       2.18850440       2.46667086       1.47267783      -2.24226406 
O       3.76881656       1.37883802       1.47234242       0.80218650       4.65385569      -1.52674033 
O       8.92776751       1.30483047       3.52891042       1.20680488      -0.46243275       2.22743507 
O       0.92286231       9.61532243       7.03775756      -1.06542716      -1.90131883      -1.28240079 
O       5.88995850       0.82078944       3.70395908       0.78976749      -2.82260215       1.57186651 
O       6.85263895       8.96878214       8.94392774       0.34922595      -2.97571466       1.50423066 
O       1.82673978       1.44991911       6.55507871      -1.12487320       0.72518425      -0.05818360 
O       3.45478461       4.80663888       8.85144996       2.73327012       0.72562437       0.80910529 
O       2.08219533       8.56706740       9.09528417      -1.79532756       0.24008672       0.36947188 
O       0.86157476       3.55430331       0.76679118       0.63629283       0.93650756      -2.23640456 
O       3.18030789       9.23383635       6.16886253       4.56493522       4.66761490       4.54542854 
O       9.58427099       9.21233030       8.88232672       0.40949649      -2.00823350      -0.18846602 
O       1.17572790       6.21220286       8.86779880      -0.81252515       0.86585137      -0.32530882 
O       1.06449177       9.10033254       4.19752749      -7.30854370       4.86579140      -5.22128862 
O       3.09236543       6.27565200       4.75263475       0.70235606      -2.51182968      -0.65486159 
O       3.57957866       9.65578476       0.91549296       0.28715444      -2.78212230       0.23950214 
O       3.38708933       9.01237888       3.67727896       1.88270858       0.77916091      -1.09223148 
O       1.47901766       3.70814096       8.89076771       0.13709853      -1.38588836      -0.50668385 
O       9.10356146       3.76756762       0.89189722      -2.97340159      -2.20726572       0.76112897 
O       7.26545163       1.20956440       6.66434458       0.65269930      -1.57491029      -0.32336957 
O       6.84569693       3.55903215       8.72227246      -0.83338423       0.32070882       0.84575279 
O       3.66904635       3.65661502       6.46733867      -0.67626970       2.49402937      -1.25801899 
O       1.13373500       3.77603321       5.25866652      -2.54688975       3.56598662       2.86582947 
O       9.44527860       4.09652186       8.44018650       0.70765618       0.23495163      -0.07730290 
O       8.63149869       4.24383289       5.93463159      -0.18516421       0.08540888       1.46686615 
O       6.20510531       3.37420847       5.90059938       0.19217586       0.83539181       0.65985426 
O       6.52839440       0.94485902       9.08489939       0.33483071       0.44683641       1.81226853 
O       6.21029006       1.25733161       1.34823432       0.56834594      -0.03461914      -0.74412525 
O       9.20681880       1.12598185       9.01840689       0.74378801       0.62043615      -0.49916439 
O       6.42506360       8.75778480       1.18555441      -0.96197928       1.03659080      -0.79778074 
O       8.89407848       9.13246607       6.20266459       0.55336762       1.85085157       0.44327552 
O       0.87149609       6.59018527       6.17221559       0.65304731       0.29794907       2.30094763 
O       8.89438839       6.67573830       9.04103272       0.87163118      -0.78292029       0.13006416 
O       8.78783462       6.25436699       1.15938692       0.13309019       0.68694292      -0.13132815 
O       8.87723073       6.70406025       6.62181643       0.49890023      -0.29382885      -1.00311550 
O       6.31942897       9.06506479       6.47070293      -1.69749886      -0.12971418      -0.79270998 
O       6.29368809       6.05189029       9.02450073       2.50980113       0.91825747      -1.27911984 
O       3.97381603       6.96635139       6.77862439      -0.73864768      -1.71044444       3.01675698 
O       6.28850899       6.13968256       1.30368536      -1.81832485       1.86976795       0.75348896 
O       9.04206124       6.82975837       3.77178686      -2.51928485      -1.70864416       1.75162552 
O       8.57248439       0.79437213       0.84768758       2.15838127       0.97312762       0.49719486 
O       8.56174984       9.22067353       3.63796142      -0.29404727      -0.52032200      -1.00972273 
O       8.90303075       8.95382719       0.88404224       0.07649489      -1.43305755       1.12842696 
O       7.08986144       3.11511005       3.64472353      -1.81021069      -0.77159967      -2.47599499 
O       6.61318642       5.55747025       4.17311372      -0.83171935       0.91873453      -0.20349004 
O       5.95369473       8.01675701       3.77205291      -0.19598867       0.90458501      -0.00932766 
O       9.61976722       1.65990876       6.44182804       1.14985909      -0.10746389      -0.09937127 
O       0.76226454       6.28884307       3.77897474      -1.19686556       2.80110127      -1.38086985 
O       9.34787481       3.81431972       3.65575030       0.12986565       3.23437812       0.56385884 
O       4.59340460       6.91617465      10.02058531      -3.55518335       2.68900905       2.08527180 
O       4.15902810       9.69639717       8.91241380       4.43971510      -2.19098333       0.42658049 
O       4.10975794       1.80563364       9.33715867      -1.77614690       2.19272480       0.65401507 
O       6.35662637       6.27229141       6.40961747      -0.61021156       0.18395616       0.20724740 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010575390353367962 0.0005971709283351441 -0.0017235998479500471 0.0005971709283351441 -0.014737765820231348 -0.007641281404972053 -0.0017235998479500471 -0.007641281404972053 -0.014723455556492415" pbc="T T T" energy=-930.87852198 free_energy=-930.87856861 config_type=crystal 
Hf       0.21096845       0.02989011      10.14527774       0.98870910       0.81378483       3.06647091 
Hf       5.38247507       2.57457080       2.51746868      -1.79197315       0.23535292       2.12199683 
Hf      10.30330720       2.43615772       7.48348110       1.59006277       1.95411943       3.24377069 
Hf      10.11932784       0.09751379       5.18766005       2.21274686      -1.73346656      -0.16608046 
Hf       7.70642926       5.17851175       7.84605350      -2.45106630       3.95012696       0.60042295 
Hf       7.65055619       7.94562087       5.16388273      -0.74373135      -2.97853075       1.43858593 
Hf       7.97744021       2.74652712      10.07694988      -1.18093608      -0.46755256       1.10893805 
Hf       7.86589407      10.34810327       2.51332072       0.81449040      -0.04939712      -1.52075772 
Hf       2.26479808       2.33508217       4.97374421       2.33440457       1.25389446      -2.25948855 
Hf       4.95688264       1.87334964       7.80311236       1.07703532       3.15765806      -0.04167250 
Hf       4.93218053       0.09208676       5.14697197      -0.38604888       1.01180236      -3.43466279 
Hf       2.64353605       2.69384812      10.36566283      -3.73529486      -1.97164053       1.42419564 
Hf       2.08381833       9.99067710       2.50626242       0.35817929       0.21349035      -1.76026031 
Hf      10.39526449       2.53084825       2.47694586       0.69785674      -0.14115490      -1.11431191 
Hf       2.59824305      10.22762559       7.51934782       1.66659419      -1.01497343       4.63031087 
Hf       7.76696231      10.26639920       7.68146811       0.31474537      -2.15222377       3.27808807 
Hf       2.58091217       4.76685580       7.86164364      -2.94093300       0.56229977      -2.40119405 
Hf       5.27078282       5.05038474       4.97296993      -5.47880025       1.41599489       4.78063500 
Hf      10.25404374       5.38930667       5.42757853      -0.77524644      -0.43055198      -0.74769961 
Hf       2.08564761       7.90309889       5.11969904       2.58958187      -0.87153508      -0.88296043 
Hf       5.21056522       4.98710076       9.97580034      -0.30536546       0.25326442       1.21047999 
Hf       5.00269781       7.85461454       2.23782459      -2.68221994       0.16022965       1.33001913 
Hf       4.98293668       7.63624648       7.38062316       1.76535074       3.66442900      -0.22070419 
Hf       7.33801327       7.87365549       0.29966070       2.61848018      -2.91519816      -3.35199817 
Hf       7.33734919       5.10795575       2.64297663       4.07804695       1.81777817      -0.65010883 
Hf       2.70858610       5.34399609       2.96970450      -2.69403841      -0.34614295       1.41229300 
Hf       9.95982232       7.41093170       2.55082352       1.88796052       1.82574053      -0.46340509 
Hf      10.28774009       5.09143517      10.08785922       3.23840293      -0.26087668       1.63855903 
Hf       7.68768828       2.47198603       5.24737757      -1.87163686       0.75596326      -0.66922688 
Hf      10.46306925       7.91616071       7.92919218       0.49052111      -1.04397704      -1.57649056 
Hf       5.20152850       0.12776551       0.26289514      -4.82198249      -1.80173702      -6.30251520 
Hf       2.37130244       7.40155053       0.04566707      -0.98016811       0.15271346      -1.05635990 
O       1.27348096       9.01737430       0.66160042      -0.00211741      -0.04605848       1.41883433 
O       0.55062594       6.56442503       0.92092167       1.23289851      -0.98616941       0.78686751 
O       3.54975240       1.28217470       6.44105543       1.19396267      -2.25453920       0.24188673 
O       1.13129627       0.92468165       3.63049766      -2.05783820       1.15777564       1.93417757 
O       3.28460524       4.90946762       0.36820270      -1.07862910       0.26493667       0.19360752 
O       1.36166005       0.91219684       8.65887052      -2.47910432       1.12654111       1.81705825 
O       4.35450783       4.57432985       2.99114304       4.27011717      -1.55021391      -0.18250328 
O       6.27812474       3.65094809       0.64353419      -0.07589635       0.73638891       2.65937809 
O       3.92638666       1.95677603       3.81840122       1.13150638      -2.36946041       0.05678966 
O       1.70316860       3.45794205       3.41651819      -2.39806056       1.14187310      -1.56819857 
O       1.47867803       0.96991207       1.16945771       0.08517765       0.07935837      -0.60561003 
O       3.07335536       7.26863586       2.67973466      -0.25889566       1.41275755      -1.58604126 
O       3.84436598       2.52245174       1.39058653       0.31470035      -1.64332296      -1.47472323 
O       8.87097435       1.11631610       3.74936962       0.88062835      -0.84727044       0.79279101 
O       1.22804519       9.54286189       6.42218466      -2.14148452      -2.27590379      -3.17573881 
O       6.33073142       1.36231283       3.95007649       0.95350823      -0.50236025      -0.46354485 
O       7.16560847       8.88473342       9.18646486       1.61651500       2.52964561      -1.21325594 
O       1.08094087       1.52736072       6.37070624      -1.30959668      -1.59409486      -2.13443062 
O       3.85406773       3.43968680       8.99961954       1.62256441       1.63098133      -3.45446787 
O       2.06237811       8.57674005       8.88373735      -1.29215178      -0.60849139      -1.07479166 
O       0.71385073       3.13482419       0.70405165       0.78133091       2.60015665       0.72593099 
O       3.65057340       8.80822634       6.29127406       1.34164813      -0.13551963      -0.44684830 
O      10.04125239       9.76371169       8.48492395      -1.38256195      -1.46405784       2.08950769 
O       1.39611457       5.99706740       8.93120984      -0.21463610       0.76802382       1.80754451 
O       0.82833107       8.82635526       3.61814838      -0.66521649      -0.75300336       0.63635779 
O       3.64776396       6.35463298       4.86242100       0.47803113       0.52896970      -0.54834090 
O       3.90874295       9.54528011       1.47849414       0.57966552       0.96776901      -0.23777676 
O       3.29731466       9.78114524       4.05630946       1.03875102      -0.42068493       1.00121571 
O       1.00079688       3.49268806       8.86335527       1.87434404       0.44032140       0.23024381 
O       8.92363576       3.72651374       1.05467562      -0.63744359       3.15663221       0.53721167 
O       6.46342327       0.50916629       6.47640177      -2.12492527       1.99752868      -1.57560297 
O       6.50073600       3.80170261       8.76038576       0.65803059       0.05559587      -0.58165736 
O       3.49057420       3.71290339       5.37145657       0.41717380       2.90664303       2.61416413 
O       0.91407562       4.10381178       6.49866139      -0.33129235      -0.88962220      -0.19530126 
O       9.16552262       4.25874105       8.79043013      -1.70248674      -3.18896803      -0.22264075 
O       8.21632934       4.22985204       6.27286307       2.01288639      -1.90874244      -0.66352993 
O       5.81515762       2.98478001       6.31986458       1.02910652       0.19549639      -0.25254202 
O       6.21172696       0.95742558       8.88517604       1.44152351      -0.56038837       2.77773627 
O       6.40787768       1.07352850       1.23878686       2.27181899       4.19973997       3.22277525 
O       8.68392263       1.60164499       8.55015549       0.72940760       0.81310078       2.73662167 
O       6.42924244       9.32714388       1.15557555      -0.97410412      -2.31954624       3.50577170 
O       9.22578815       9.25131051       6.56231996      -1.48196956      -0.45970062      -3.58631491 
O       1.61815961       6.67138656       6.56344340      -1.80813685       0.64042339       1.18862190 
O       9.11540648       6.76156396       8.99838903       1.45535212      -0.28030056       0.28039989 
O       8.50308961       6.81407048       1.50916806      -0.82298817      -4.31291446      -0.29605440 
O       9.34346634       6.93522376       6.31271281      -0.15799623      -1.20959197       0.54679975 
O       6.72533511       8.62782756       6.75602096      -0.20957148      -0.62016875      -0.24774912 
O       6.59147251       6.34188619       9.40594034      -0.92393670      -0.66755216      -0.44347927 
O       4.16490812       5.93850346       7.56625869      -1.64764134      -3.14460659       2.60399671 
O       6.22971386       6.37908443       1.71956369      -1.32036773       0.33628664      -4.14092913 
O       9.17434427       6.17747161       3.83201262      -2.29233747      -0.93966665      -0.02486690 
O       9.08478269       1.39316781       1.08158485      -0.09850098      -2.36572804      -0.37279322 
O       8.69843768       8.74406989       3.70825787       0.28255084       2.32503792      -0.53413985 
O       9.04932070       8.98104769       1.18331558      -0.40856000       2.73852567       0.31364651 
O       6.52256682       3.97531029       4.14106622       3.59023374      -4.38105567      -4.32320326 
O       6.42555551       6.34882455       3.86027858       0.25288866       2.65325474       2.22380489 
O       6.22895380       9.23375544       4.28971745      -0.28749411      -0.69609113      -1.75983717 
O       9.02417649       1.16104571       6.43685576      -0.93228249       1.92291058      -3.01559814 
O       1.14990193       6.12271141       4.23564979       0.37778983       0.79242337      -2.28881013 
O       9.18016840       3.62876697       4.08907558       1.00641377      -1.16498628      -0.81698772 
O       4.34188601       7.20649217       0.45764569       0.56002844       0.16879700      -0.96905684 
O       4.58893239       9.02056439       8.64126847      -0.22059136       0.69996016       0.87510426 
O       3.60045705       0.99057926       9.24069715       1.63791483       0.24472574       1.32645360 
O       6.36841173       6.13256743       6.38311883       0.77430996       0.19156048       0.62452125 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03378457279758105 0.01645559900058679 0.025060486427489884 0.01645559900058679 -0.06584258732805996 -0.029075487936367224 0.025060486427489884 -0.029075487936367224 -0.026721997596383853" pbc="T T T" energy=-925.8901604 free_energy=-925.89287519 config_type=crystal 
Hf      10.12315606      10.44965064      10.38899168      -2.54903382       3.03922295      -1.07499415 
Hf       5.21843413       2.42017918       2.75179131       2.89471922      -5.85555488      -0.11065883 
Hf      10.26521317       2.51924511       7.67121437      -0.95441611      -0.97352772       2.91605962 
Hf       0.39036937       0.03835496       5.44492793      -2.89532563      -5.71396036      -4.86690189 
Hf       7.91416418       4.86507837       7.17471941       0.87480454       2.54086822      -0.93546965 
Hf       7.62029966       7.64188557       4.82361516       0.19281350       4.98797697      -1.74562925 
Hf       6.98571281       3.10042325      10.09328396       3.44592924      -2.21705883      -1.79729161 
Hf       7.49356329      10.28119861       2.52030125      -1.70495168      -2.16551494      -0.24045537 
Hf       2.16217301       2.75554260       5.24487228       2.79381761       0.41678039      -0.32604602 
Hf       4.90800507       2.72343303       7.29415466       4.81516497       2.81721590      -0.74630042 
Hf       4.66596729       0.21741406       5.69360997       9.16473452      -3.25300602      -9.03913113 
Hf       2.36532415       2.27575912      10.25324904      -2.02183721       1.75779915       1.88402058 
Hf       2.70803484       0.05644610       2.51924385      -0.75305397       0.58027327      -1.37949057 
Hf      10.18906277       1.93327167       2.77335409       1.83849367       0.88943900      -3.55954164 
Hf       2.56877117      10.21774926       7.98086370      -3.76613316       1.47738576       1.65739794 
Hf       7.47856659       9.96164606       7.53811309       4.14992950       3.20296967      -0.70272006 
Hf       2.37637939       4.91132924       8.50353610      -4.97003500      -3.59427990      -3.17226319 
Hf       5.24164492       5.29267037       4.75605469       1.38586905      -3.48772976       2.14427659 
Hf       0.40413954       5.31438564       4.79179938      -6.90289865       4.61511116       3.66256014 
Hf       3.02709863       7.67849655       5.04511606      -1.42990841       0.02338106       1.29433984 
Hf       5.03879521       5.66769148      10.40757138       3.41943680      -4.04565492      -1.97743363 
Hf       4.98130950       7.66361005       2.35869454       2.45610969       4.13511014      -0.75442127 
Hf       4.73994281       7.82685221       7.98724055       2.89458493      -2.44202837      -1.18023002 
Hf       7.95155635       7.83435019      10.11747888      -1.66822474       0.27935743       4.06153752 
Hf       7.46294181       5.02494706       2.50257528       4.99688180       2.31833413      -2.15811360 
Hf       2.37128308       4.90077198       2.15470464       1.18918123      -2.18794301      -2.21932049 
Hf      10.39284544       8.03527172       2.57146119      -1.94462885      -0.66323252       2.27717694 
Hf      10.12118569       4.76460840       0.17485755       2.39359908      -3.51092825       0.83315339 
Hf       8.01904084       2.03464906       5.08246867       2.10310244       1.13757008       2.82844695 
Hf       0.14131097       7.47789529       7.55843563       0.02615242      -1.58264877       1.39970940 
Hf       5.30616119       0.17267419      10.19339933       2.76703048      -1.19464742       2.72592461 
Hf       1.94695476       7.65349834      10.45815830       3.06636257      -0.68445120      -1.72898315 
O       1.35337187       8.61563099       1.42424479       1.80466630       2.32787207       0.00666443 
O       1.11368312       6.09022359       1.37358158       0.45412941       1.87690419       0.44039073 
O       3.44499107       1.29885636       6.26413175      -3.65119473       3.43680415       4.86439630 
O       1.39616020       1.25608079       3.74854886       1.50373885       4.09417100       2.02446122 
O       3.24062156       4.42675894       0.11176813      -0.83403828      -0.80898894       0.51855484 
O       0.86143179       1.12303980       8.67096652       3.31742554      -2.93287282       1.02928824 
O       4.49172159       3.96295944       3.08043417      -4.52972140       8.34835713       0.44946211 
O       6.23647387       4.16799994       1.07715932      -1.10740333       0.26893966      -0.06258039 
O       4.05572398       1.24978077       3.83015728      -1.27896675      -1.30797784       0.86101042 
O       1.75453273       4.37766178       4.04482239       3.37568986      -2.16063810      -2.19033748 
O       1.06359649       1.05878110       0.96277893       1.53962466      -0.42287515      -0.18526377 
O       3.58466576       6.38017072       3.47720070       0.57138776       1.05904710       0.57422229 
O       3.69908026       1.93967552       1.40381864      -1.56580428      -0.40517814      -0.91813889 
O       9.22751780       0.54086789       4.09900695      -1.50555465       2.89831579       2.55268080 
O       2.08509688       9.56105152       6.16667102      -0.94867975      -0.75517063       0.55467511 
O       6.51257327       1.15689544       4.42550634      -1.74281068      -1.10802053      -3.77109579 
O       5.86247133       9.51553852       8.40931696      -6.79896159      -0.30233777       1.66038512 
O       1.11069481       1.50191111       6.30590214      -1.26530692       1.23933117       1.92707215 
O       3.29723659       3.04894964       8.13501921      -3.21132765       1.43691997       2.21707728 
O       0.82437935       9.00644518       9.32832614      -0.00438677       0.13627640      -1.54072128 
O       0.90777591       3.62962750       1.41122222       3.47923789      -0.98763253       2.12790319 
O       4.39241180       8.89687505       6.24416014      -1.62756536      -1.63822159       2.03858326 
O       7.84109147       9.75387702       9.38785622       3.31690265      -0.44340689       1.84530354 
O       1.02116034       6.26153163       9.47667249      -1.48673845      -1.45480471      -2.42612343 
O       0.81581999       9.74103217       3.31248772      -0.45184126      -1.62474261       1.56884075 
O       4.97731057       6.49209239       6.27868709      -1.70947840       1.09751536       0.11708421 
O       4.10916775       9.50090499       1.15746292      -2.01325627       0.97429883       0.89315614 
O       3.31038548       9.30491776       3.87292406       1.37964542      -2.75429648       1.11242589 
O       0.74209639       3.54043811       9.32735352       1.13060547       0.38677214      -1.09891345 
O       9.06858238       3.69802485       1.65985685      -2.88476890       0.35934712      -0.17186596 
O       6.60087263       1.23307263       6.73781197      -5.10300218       0.25319073      -1.17011329 
O       5.57776924       4.04559469       8.81542928       1.37238679       0.39860721       1.73243573 
O       4.13682761       3.61170257       5.53683938      -2.23774215      -0.85285739       0.72596820 
O       1.18858207       3.86536087       6.68733872      -0.04365270       0.62384423      -1.28528392 
O       8.45193313       4.56890092       9.08517120      -0.90090820      -3.09167949      -0.92536083 
O       9.02543201       3.52969466       6.37972485      -1.20989541      -0.26464458       0.67159921 
O       6.23932759       4.22319574       6.33912416       0.31276950      -1.43578947       0.71454016 
O       6.38535483       1.52411599       9.08198979      -2.24148089       0.70679162       0.94884866 
O       6.30055580       1.48162091       1.34355551       1.47992543      -1.10538296      -1.42447961 
O       9.04690353       1.61055288       9.58941566       0.86763830       1.10432664       0.77409556 
O       6.44505550       9.30100989       0.92259281       1.35455956       0.13310615       0.76109073 
O       9.99421530       8.73882706       6.33740886      -0.54016630       3.51575351      -1.18145589 
O       2.00937706       6.31067410       6.72331189      -0.49144914       1.00729009       0.25713190 
O       8.76775741       7.48692039       8.50846704       1.74520018      -0.19584116      -2.97748671 
O       8.91231751       6.04834675       0.23016587      -3.60836096       5.52393434       2.26576625 
O       9.59938094       6.12818282       6.60561224       0.36507653      -1.89291040      -1.01196156 
O       6.85074091       8.78045899       6.18235859       0.08241234      -1.26483616      -0.11464481 
O       6.10832624       7.15387000       9.58973289      -1.97110982      -0.36155405      -3.77223815 
O       3.50384649       6.23904950       8.78785943       6.41672433       3.61926469       1.06631869 
O       6.50290753       6.56912205       1.38582326      -1.45863771      -0.03288760       0.48537580 
O       9.59862246       6.17817075       3.12403176      -0.08479417      -1.52146802       1.65705674 
O       9.10642627       0.67646881       1.74802286      -0.73735425       0.01220085      -1.79305985 
O       8.83406404       8.72347126       3.68766614      -0.85504749      -0.13097654      -1.25062794 
O       9.25238183       8.80892119       0.94138780       0.70724959      -0.72786769       0.59395779 
O       6.92136829       3.74972265       3.73209024      -1.16326483      -2.73535389       1.42024486 
O       6.18345346       6.72174677       3.72805280      -1.91642733      -0.41921905      -2.25837973 
O       6.14213971       9.06838865       3.54715877      -0.04820361      -0.06421388      -0.32736400 
O       8.69478696       1.09388232       7.15813466       4.20329546       0.41249798      -2.91369211 
O       1.14826135       7.21462619       4.55947224      -0.25784684      -0.54080435      -1.53116836 
O       9.79273771       3.09541141       4.23423267      -0.24289171       1.28776215       0.78522347 
O       3.96590745       6.92179646       0.71160217      -3.94162404       2.27239439       2.87722569 
O       3.18878990       8.55813596       8.90251455      -0.10073649       2.05428950      -0.13352463 
O       3.54651824       0.97240648       9.41136236       0.78921063      -2.65361592      -1.45509630 
O       7.63260906       5.83361099       4.99639077       0.90798320      -5.14584760       2.92974610 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017199833115927092 0.002505235950825329 0.023304500761817632 0.002505235950825329 -0.05287120732525921 -0.018064648350409884 0.023304500761817632 -0.018064648350409884 -0.027860612600695365" pbc="T T T" energy=-929.17002145 free_energy=-929.17014192 config_type=crystal 
Hf      10.10164655      10.41876436      10.35759852       0.06652582       2.71486680      -0.13989455 
Hf       5.24204483       2.32998356       2.86089464       0.33282922       1.49701350      -0.39852864 
Hf      10.23586154       2.62218856       7.66213494       0.16476362      -1.77706276       1.08086267 
Hf       0.41897737      10.45694191       5.41729162      -0.27932428      -2.94168866      -2.73080968 
Hf       7.92139570       4.88918014       7.10135993      -2.94690819       1.21686541      -0.31561267 
Hf       7.70561593       7.69218728       4.77895473      -2.30473610      -3.18709771      -2.51014830 
Hf       7.06809887       3.09114685      10.09269816       3.20112041       0.75605545       1.38613157 
Hf       7.50478578      10.27434419       2.46626175      -1.73639040      -0.99162293       2.15013924 
Hf       2.20314829       2.78368276       5.23631553       2.24019546      -4.10373724       1.95972328 
Hf       4.87128891       2.70502173       7.29790836       2.59486977       3.05328646       0.42129942 
Hf       4.62269866       0.15817872       5.59121014       3.32091170      -0.62346232      -3.69604151 
Hf       2.37392873       2.37325920      10.35338870      -0.51332010      -0.43280952       0.87895110 
Hf       2.69828108       0.00141168       2.53004822      -1.86162059      -0.20405878      -0.37756593 
Hf      10.16303992       2.03257790       2.69458829       3.10309683       1.32558033      -1.25614397 
Hf       2.61299913      10.24051817       8.05517414      -3.98478101       1.73675109       1.17557724 
Hf       7.55848869       9.95980882       7.64223190      -0.39302945       4.42629839      -0.94902129 
Hf       2.37773602       4.94237785       8.53956757      -1.54056725      -0.31394729      -3.96860528 
Hf       5.18250911       5.27065388       4.70775600       2.45131059      -2.21272034       3.75932146 
Hf       0.36446019       5.36590823       4.81778664      -2.09218530      -2.22084556       1.72063036 
Hf       2.92633351       7.74136575       5.02086472      -1.51276838      -0.75375217       2.12388228 
Hf       5.00475734       5.63478323       0.00524451       3.38169128      -3.14002179      -1.26720348 
Hf       4.97954019       7.66019838       2.35183290       0.69639620       3.68495957       0.48647020 
Hf       4.74222549       7.78056816       7.95713913       2.19396759      -3.21999884      -0.79417510 
Hf       7.88934725       7.82756412      10.15186610      -2.05892362      -4.48218323       4.47849015 
Hf       7.51287657       5.04910661       2.45604098       4.21667382       1.57461039       3.23084851 
Hf       2.35745283       4.95539791       2.15318464       2.67438449      -1.54586375       1.56559722 
Hf      10.35373838       8.04027645       2.51620887       4.36583420      -2.75506704      -0.69910990 
Hf      10.07213449       4.76347470       0.23032820       0.14920380       0.78147475      -0.05046251 
Hf       8.11578160       2.01917363       4.97106968      -2.63398181       4.49394918       5.01117390 
Hf       0.05140631       7.49116454       7.57660212       2.12515457       0.37052632      -0.08957652 
Hf       5.34188223       0.18532814      10.22997828       1.67600037      -0.37748501       2.13824838 
Hf       1.97279863       7.59719981      10.40892770       1.18501189       1.91097192       0.33725483 
O       1.34230752       8.93921952       1.35028601       1.50614323      -1.04639477      -0.56137798 
O       1.12971953       6.05783530       1.16656506      -0.32971624       3.03865917       0.59189491 
O       3.34331728       1.43296376       6.43149947       2.06217462      -3.37828427       1.78047684 
O       1.69825409       1.26335826       3.83532591      -2.74518872       2.91806716       0.55507892 
O       3.17698602       4.42158979       0.32557501       0.32000679       0.14799287      -1.52714780 
O       0.80803763       0.89586998       8.42025309       2.55533816      -2.13993884       2.58273733 
O       4.49186550       4.15852007       3.16202500      -1.05672130      -0.11561844      -2.36091238 
O       6.38941164       4.22854177       1.20268067      -3.49913156      -2.47129052      -3.42838130 
O       3.98715195       1.21276119       3.90744169       1.18723002      -0.85356991       0.46077851 
O       2.08850352       4.18467196       4.09526539      -2.81367573       5.51955448      -4.25598457 
O       1.04891901       1.16618064       1.15711377       0.47389455      -0.73871409      -1.47949598 
O       3.42604338       6.51244443       3.49327071       1.59192869      -0.08344175      -0.47969551 
O       3.57713564       1.99761640       1.40378745       0.45859202      -0.22421816       1.38298298 
O       9.34881614       0.84452134       4.23714237       0.57966095      -3.12640511      -1.36211571 
O       2.06557647       9.35065254       6.35631772      -0.43049268       0.44404409      -0.44829112 
O       6.56204145       0.87181091       4.34754425      -0.26852265       0.11175009      -2.90632427 
O       5.55979835       9.53113818       8.44375243       1.96893023       1.96049596       0.30687509 
O       0.86812922       1.59548459       6.25746645      -0.01577866       0.46011250       0.12217372 
O       3.03305212       3.05779662       8.26198353       0.53093673       0.56020382       1.39092770 
O       0.82618854       8.85210473       9.33850316      -0.98463541       0.38483238      -2.13527978 
O       1.00898658       3.68229646       1.57093005      -0.80769272      -1.50578260       0.21822373 
O       4.45610805       8.67197452       6.22005638      -0.87950738       1.71315651      -0.34601907 
O       7.96152007       9.57701624       9.57630716       1.25064632       4.68262601      -3.64296995 
O       1.00620540       6.18940800       9.30080088      -1.47034865      -0.09812098      -0.87145671 
O       0.93214908       9.58327712       3.63456692      -0.11769168      -1.28595447      -0.35460561 
O       5.12232124       6.18807010       6.50218473      -1.37160492       2.88978719      -0.50009653 
O       3.98367079       9.55802679       1.31916550       1.34201986       0.65907214      -0.77580820 
O       3.61262317       9.11692408       3.87264660       0.10849631       1.07232736      -0.42738709 
O       0.74896232       3.43163317       9.32321801       0.28621543       2.09144661       0.87763746 
O       8.91634281       3.80132604       1.47336936      -0.45909996      -1.88717328       0.32504332 
O       6.28395996       1.19924828       6.74893199      -2.61442098      -1.55529593      -1.00926050 
O       5.60336558       3.83678531       8.91285160      -0.73449975       2.45446207       2.23640322 
O       4.16678900       3.66994812       5.59815771      -2.74940900      -1.89987767       0.69313885 
O       1.03136457       3.83206610       6.37663209      -0.56340646       3.09249737       1.76670247 
O       8.44132574       4.21610929       8.96175837       0.82281909       0.02863565       0.81266970 
O       9.02460791       3.64316899       6.33618892      -0.83851194      -1.60508032       0.92268921 
O       6.14285141       4.13021005       6.49448705       2.38536819      -1.50445138       0.19377797 
O       6.50279575       1.68012381       9.10915010      -2.72280333      -5.76852754      -1.06996115 
O       6.20318110       1.53499791       1.21758559       0.82767966      -0.74358497       0.71380873 
O       9.11232251       1.53714965       9.72834996       0.43788047       0.53747338       0.18105488 
O       6.53808338       9.42373885       1.12087853      -0.84208918      -1.26147310      -2.91998744 
O       9.97464372       8.84046307       6.16228589      -1.46785067      -0.35049507       1.85716588 
O       1.94617471       6.32011807       6.73064220      -0.67719779       0.58223055       0.55732216 
O       8.85450390       7.28986561       8.59517386      -0.37396379       0.93986450      -0.81021130 
O       8.82859827       6.33246086       0.54575341       2.15350137      -2.39717725       0.49427276 
O       9.48066336       6.12339726       6.71733903       1.28422444      -0.59233449      -3.37600929 
O       7.02657495       8.93645696       5.96929785       0.05860867       1.59198343       3.77902538 
O       6.04099948       7.04894352       9.54564308       0.52636964       0.65490878      -2.48917307 
O       3.68277905       6.33343317       8.76417609       0.13775774      -2.52609037       1.97448840 
O       6.58446916       6.46108114       1.41966509      -3.10268596       3.10696139      -2.63993562 
O       9.67329063       5.91466648       3.08853522       0.34739195       0.08653192       1.52185404 
O       9.10036080       0.65161242       1.71523320       0.09178237       1.26557872       0.23387510 
O       8.99683668       8.50289693       3.62785809      -3.89141242       2.66005894       1.53772023 
O       9.33489054       8.82532853       1.01167629      -1.26432855      -0.47007685      -0.48782394 
O       6.95594610       3.49253180       3.70606520      -0.48934666      -2.14386159      -0.30558191 
O       6.12893241       6.60286989       3.51914797       0.03232051      -0.47230798       1.97576435 
O       6.17115432       8.90911255       3.43420890       2.02392076       0.43960792       1.13822999 
O       8.82751649       1.26251227       7.11297898      -1.44581849      -2.74464163      -1.83788658 
O       1.11260625       7.06438420       4.42817774      -0.18132256       0.90368839      -1.13399731 
O       9.75145190       3.13352240       4.40650799       1.33948964       0.69224741      -4.47083465 
O       3.96262693       7.04930084       0.68689629      -2.61388168       0.43062203       1.77855789 
O       3.30856531       8.64999299       9.02631013      -1.16111310       0.75436548       0.16984231 
O       3.59991658       0.81556210       9.60701823      -1.15409737       0.50698182      -1.45505982 
O       7.50148275       5.55692318       4.87091254       1.11385978       1.49683510       2.04402227 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.036211316097616596 -0.005039425875512064 0.008210511762075014 -0.005039425875512064 -0.043448560580818585 -9.264660841567063e-05 0.008210511762075014 -9.264660841567063e-05 -0.029637784663397334" pbc="T T T" energy=-929.21248178 free_energy=-929.21251052 config_type=crystal 
Hf      10.07866079      10.41071281      10.31936958       2.45413640       0.45371746       0.36628835 
Hf       5.27591032       2.22874725       2.97681513      -1.70797883       0.10482123      -4.55637809 
Hf      10.20100816       2.72129228       7.66464715      -0.11170060      -2.42169421       0.75814227 
Hf       0.44600832      10.37026869       5.36101381      -0.27482249      -0.16275358       2.99852208 
Hf       7.89930029       4.93317869       7.01465238      -1.92155168       1.58199892       0.60874703 
Hf       7.77184783       7.72486443       4.71117175      -5.54249944      -0.83446139       3.61294651 
Hf       7.19268411       3.07427199      10.10077106      -0.96748450      -4.71720807       0.21585760 
Hf       7.50098718      10.25548745       2.42667785       0.32196898      -1.23742173      -0.29053837 
Hf       2.26889800       2.78677688       5.24494010      -4.18596624       0.81535840       2.07828180 
Hf       4.85857687       2.71386462       7.31086656       0.11918997      -0.56034900       3.57880156 
Hf       4.61533307       0.07509247       5.43422645       0.78830184      -5.24109466       1.32559883 
Hf       2.37692876       2.48030101       0.01386499       0.18130328      -2.69145279       1.33134451 
Hf       2.66719824      10.40535548       2.53676040      -1.31461718       1.28007936      -0.92432964 
Hf      10.16861788       2.16040516       2.58759557       3.39658341      -0.70354130      -1.61152728 
Hf       2.62600789      10.28367837       8.15105469       2.29413345      -0.99128063      -1.28960268 
Hf       7.64858331      10.00992946       7.74857916      -2.31910466       5.96052858      -2.93021897 
Hf       2.35631798       4.97094137       8.53673740      -1.17866338       1.64736607      -2.97431017 
Hf       5.13905031       5.22039163       4.69462552       0.26770184      -0.74300157       3.47846107 
Hf       0.29325769       5.40501204       4.86898457      -0.45865237      -1.34562887       0.51806435 
Hf       2.79213443       7.80861329       5.01492348      -1.76852112       0.63898587       0.78903232 
Hf       5.00509917       5.55890925       0.06087571       1.19315438      -1.32432228      -0.92494733 
Hf       4.98449541       7.69977914       2.34990220      -1.20698322       3.75205625       1.60204973 
Hf       4.76852003       7.70137043       7.91355651      -0.70430856       1.44329514       0.99378996 
Hf       7.79703819       7.78327912      10.23847809      -0.22913747      -0.43353101       1.05275702 
Hf       7.61038764       5.09557874       2.42698891      -0.18317573       1.00739557       0.47930589 
Hf       2.36964543       5.00698570       2.16375498       1.99769010       2.74002930      -0.86097752 
Hf      10.34929296       8.01797538       2.45176627       3.82581515      -2.14350974       0.37451840 
Hf      10.02340114       4.76686177       0.29328187       2.61818650       0.89434740      -0.54274202 
Hf       8.20413988       2.04680932       4.89850281       0.63314113       1.36934636       4.16992753 
Hf      10.44141667       7.51059138       7.59527037       3.47661836       1.06951062      -1.21091881 
Hf       5.39819405       0.19446786      10.29341769      -2.86076101      -1.24720926       0.44995471 
Hf       2.01527183       7.55740408      10.34962453      -0.44235499       4.90524973      -2.95060436 
O       1.48453146       9.18691700       1.21100580      -1.33237081      -2.46514392       0.75535745 
O       1.09001632       6.31540294       1.04187619      -1.84855764      -1.85191743       2.68468995 
O       3.36176469       1.27754728       6.82044932      -1.07298737      -0.77403719      -2.17039255 
O       1.73369714       1.56998474       3.95106345      -2.40858396      -2.84910036      -3.28138880 
O       3.14528976       4.42864526       0.38364170       0.56448193       0.45737329      -1.68337126 
O       0.98270846       0.43718971       8.44425502      -5.07745002       3.85334567       2.49311014 
O       4.34129708       4.47838828       3.01483203       1.85656962      -2.52407116      -0.51071678 
O       6.22497319       4.10895476       1.05328163       0.73966673       1.68793771       2.12812609 
O       4.01131862       1.10054103       4.01980451      -0.61038204       2.45491121      -2.24244085 
O       2.15874774       4.41834233       3.85332871      -2.96785091      -2.00273578       6.07118050 
O       1.09169321       1.19992984       1.21318884      -0.08770583      -0.73112183      -0.95660358 
O       3.43933106       6.65838649       3.46956833       1.53266407      -0.65072501       0.33469986 
O       3.49715283       2.02903478       1.57058089       1.51865097      -0.17609559       1.67451353 
O       9.54402678       0.85777773       4.24326144      -1.07344823      -1.34695941      -2.03437968 
O       1.97776191       9.15651625       6.50126549      -0.64827062       0.99213159      -1.75989536 
O       6.56911263       0.58240039       3.92454566      -0.52180782       2.76401146       1.39260171 
O       5.38339369       9.69911818       8.50780422       3.27397912      -2.29276681      -1.26233786 
O       0.62433437       1.75696382       6.23014831       2.21612135      -0.89115165      -0.33591844 
O       2.79492335       3.11382146       8.54813342       2.96854142      -1.06871439      -1.79035802 
O       0.70948360       8.69329511       9.12443850      -0.99241108      -1.00247105       0.51776807 
O       1.03644842       3.58023510       1.76587171      -2.03269061       1.11296845      -2.32678154 
O       4.41490816       8.58221409       6.16396487      -0.23092304       0.87250709      -0.13470044 
O       8.27208530       9.73625550       9.48448959       0.67816689      -2.55889892       1.39239400 
O       0.80496130       6.07953676       9.01799044      -0.49360031      -0.14644259       2.03102701 
O       1.07235450       9.24181390       3.92226162       1.48695065       0.98331195      -2.73875896 
O       5.13185281       6.14497825       6.66988685      -0.04730507      -0.15021585      -2.65463850 
O       3.99579421       9.70574810       1.42865870       2.34381555       0.22477051      -0.38763476 
O       3.96123482       8.99666221       3.84650015      -1.79448933       1.50933058      -0.17589132 
O       0.76231803       3.54695468       9.41202728      -1.53350691       1.26653079       0.86396803 
O       8.67206380       3.71378810       1.29315888       0.76016062      -0.70060299       0.21478262 
O       5.63998326       1.01475408       6.62401831       4.54756357       2.14295439       0.64557556 
O       5.56012270       3.86649488       9.26675171      -0.64089593       0.77105092      -1.12647519 
O       3.93079869       3.56312244       5.73551685       2.97414388       1.74171712       0.01536052 
O       0.84165120       4.09183227       6.20689555       2.32424221      -1.63047001       2.70309087 
O       8.52846293       3.83033541       8.88073000       1.02356493       2.90097606      -0.49249442 
O       8.93156150       3.55709621       6.36281786      -0.33045535      -1.75971312      -0.85329489 
O       6.28353912       3.84787300       6.67808607       0.61789054      -0.57052094      -1.19853740 
O       6.36705228       1.34572108       9.06779092       1.99001339       2.69693464      -0.63071463 
O       6.21240789       1.51411271       1.17455203       0.89147179       0.19927500       2.47965635 
O       9.23370542       1.56234598       9.88507733      -0.32051826       2.03564227      -1.71881246 
O       6.55193571       9.38734756       0.99691643      -0.03905491      -2.16266196      -2.01347878 
O       9.77958745       8.94248225       6.16039339      -0.38553139      -1.01879876       1.36553648 
O       1.81143516       6.41140908       6.78756629       0.84638650       0.58283211      -0.53726306 
O       8.85973930       7.14829277       8.61563810      -3.03926818      -0.02534187       1.59279251 
O       8.89143514       6.45263282       0.97137964      -0.79502933      -2.22536097      -0.71816729 
O       9.49513560       6.05542316       6.45065953       0.18277038       1.03263442      -1.58542741 
O       7.24159068       9.20626231       6.07897630      -0.63474907      -3.06685548      -1.62782590 
O       6.06472499       6.99266080       9.23577448       3.06679154       0.08797046       1.13033493 
O       3.92088322       6.19919107       8.98691127      -3.96291847      -1.53150718      -0.48096271 
O       6.36171033       6.62978372       1.19155468       0.76838414      -0.04972794      -0.24500024 
O       9.74365374       5.62087104       3.18608209      -2.92864463       1.11025824      -1.69002802 
O       9.08715475       0.75235002       1.69673555      -0.63221584      -0.05593890       0.72137693 
O       8.87723261       8.56293618       3.60530803       2.79057814       2.39307116      -2.70860365 
O       9.29255424       8.79936586       1.03957813      -0.89041132       0.55910969      -0.72760303 
O       6.92997632       2.99395301       3.64973757       0.76902723       3.02063584      -0.28807369 
O       6.07436416       6.39837405       3.46885600       1.65686271      -0.06251201       0.35978297 
O       6.44398272       8.74569466       3.42953281       1.28895167      -1.36574841       0.64923765 
O       8.84709519       1.16085690       6.85651783      -2.27248568      -1.27441569       0.60578065 
O       1.06450182       7.00154105       4.13456859       0.37695012       0.18175961      -0.24005825 
O       9.81215858       3.26481774       4.13795127      -1.59930680       0.43660497      -0.33480177 
O       3.64978561       7.26121700       0.90332841       2.08401951      -2.87551573       0.62342701 
O       3.32502550       8.77778267       9.18694924      -0.13728334      -3.58075102      -0.22818849 
O       3.54239539       0.71212810       9.68594667      -0.59869352       3.21835484       0.99010962 
O       7.47043728       5.35096312       4.95325255      -0.32442811       1.21152552      -0.15072219 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025226176281251105 0.010078546104322234 0.0007342359105281485 0.010078546104322234 -0.03870178068697481 -0.0010836034226570585 0.0007342359105281485 -0.0010836034226570585 -0.034966343474683165" pbc="T T T" energy=-925.14695259 free_energy=-925.14733099 config_type=crystal 
Hf      10.22401810      10.24359492       9.88329043      -0.96074949       3.86307927      -1.94379507 
Hf       5.22301058       1.94535647       2.99528839       2.61432658      -4.27636632      -1.33518143 
Hf      10.23160484       2.61884869       7.71499637      -0.17596829       0.15132094       0.62337142 
Hf       9.44215591      10.36098905       5.21046025       5.97368491       4.25481922       3.87000653 
Hf       7.25364460       5.35117590       7.26428423       4.08941381      -1.69410685       1.96054990 
Hf       7.81833837       7.77287509       4.71891914       4.31449337      -2.03764555       0.49479033 
Hf       7.66712648       2.51971421       0.36066986       2.01788902      -1.90439813      -4.26156369 
Hf       8.14340955      10.26068172       2.39492602      -2.44810094       0.12328637      -3.57598652 
Hf       2.41997551       2.21678135       5.10282648      -1.79763505      -0.55899760       2.12005672 
Hf       4.98520722       2.57607783       7.75654530       2.74713551       0.12994774      -0.81039455 
Hf       5.09182085       9.89542547       5.32788986      -2.35390615       1.11818031      -5.30134012 
Hf       2.79291332       3.13046679       0.25140556      -0.60600535      -1.68469394       1.28668632 
Hf       2.58874152      10.44747178       2.54889952       0.72735870       2.35436083      -0.25383545 
Hf      10.41927877       2.30922595       2.21393999       0.47185277       2.19736082      -1.04806153 
Hf       2.54622007       0.11467669       8.11104104       0.07299045      -0.27763341      -2.01799027 
Hf       7.36054365      10.26678550       7.60709163      -1.96146166       4.39415887       1.68250689 
Hf       2.35993374       5.06667842       7.63378944      -1.62342249      -0.73678626       2.26096645 
Hf       5.25259979       4.66196763       4.99351863      -1.00074986      -4.26612183       1.35806026 
Hf      10.42642132       5.34320578       4.93066167      -1.88718093      -0.29804219      -0.30432263 
Hf       2.28310922       8.08879241       5.38809574      -1.94254391       0.70830626      -3.04770407 
Hf       5.68409222       4.94566057      10.22754887      -2.22698000      -0.90850893       0.46372673 
Hf       5.05736151       7.59209126       2.41635410       0.00184296       2.82179282      -0.34647798 
Hf       4.66945484       7.58047681       7.63019451       1.44187405      -2.63280828       2.95414032 
Hf       7.14305036       7.70537971       9.59090322       1.45012887       2.97518387       2.90495406 
Hf       7.41601356       4.94272795       2.97044090       4.08026287       0.15181493      -1.07178993 
Hf       2.82602754       5.12443426       3.10434169      -1.42086394      -1.11955823      -1.68803380 
Hf       0.35608639       7.94422468       2.41278680      -0.60721925       0.49707523      -0.12816490 
Hf      10.12083372       5.62970440      10.20874477       0.66735600      -4.38770054      -1.18024793 
Hf       8.11592122       2.76105839       5.18828760       3.20096248       0.80899430      -4.42357244 
Hf       9.97073721       7.95802174       7.64885930       1.28159544      -1.40008776       1.14963722 
Hf       5.08506272      10.38773103       0.13124385       1.94190175       1.56951088      -0.91467410 
Hf       2.69221665       7.85908046      10.46014373      -0.62373673      -1.90000318      -1.21478383 
O       1.83314143       9.09393570       1.23716345      -0.11444911       0.16840517       0.29547871 
O       0.90529281       6.50188027       1.16997442       0.08320999       0.89480461      -0.64963138 
O       2.20369975       0.35263946       6.15641372       2.38772345       1.33535579       1.04834637 
O       1.40386846       1.74352532       3.44339623       0.74187470      -1.31870750       0.13318351 
O       3.97513969       4.69257174       0.68691251      -0.22045003      -3.23851232       0.79637461 
O       0.89290805       0.96001125       8.51268304      -0.07504935       0.59214698       0.90505106 
O       4.09887864       3.27577188       3.54081531      -4.36280128       6.12009735       0.45190725 
O       6.63565066       3.84450100       1.42912057      -0.50451821       1.28069517       0.28788824 
O       3.80205375       0.89242828       4.06063902      -0.67596389      -0.20947656       0.26295683 
O       1.32617346       4.05425976       4.60318830       1.68808563       0.16268054      -1.09957278 
O       1.30593664       1.50685356       0.99804396       0.64794422      -1.28330944      -1.88556693 
O       3.50154707       5.46418668       4.86772161      -2.03299109       1.49083626      -0.64843840 
O       3.88015327       1.47453038       1.34874329       0.32956515       1.35427617      -1.08722276 
O       9.26936868       1.12170253       3.61032134      -1.95106782       0.50311387      -1.65502658 
O       0.65049129       8.85096527       6.06357465      -1.61145961       1.02078069       1.36651053 
O       6.19755248       0.46742876       3.96214904       1.67195121      -0.01053028       0.93449986 
O       5.92023450       8.96378704       8.16937430       2.39772060      -1.60022082      -1.06294375 
O       0.16809199       1.65332698       6.04690482      -1.30202376      -2.35831321      -2.60765284 
O       4.37815495       4.35672740       8.73701180      -2.31694617      -1.33864698      -2.64891126 
O       1.37319223       9.06726385       9.11778513      -0.37256022      -0.25601115      -0.29521380 
O       1.68354269       3.91636454       1.69540686       0.35402577       0.00815870       0.48298318 
O       3.50599782       8.83292092       6.85821963      -0.96985252       0.47104536      -1.21321518 
O       8.56990772       9.27443725       8.77104903       3.33130096      -0.43938079       2.74845654 
O       0.74876451       6.45917671       8.69113363      -0.46142495       0.83742440      -0.20841542 
O       1.43733999       9.31594903       3.59185384      -1.33095469      -1.31085047       1.53096869 
O       5.36359907       6.13635493       6.19555794       1.18710330       1.66515829       3.73267582 
O       4.48313272       9.54742066       1.84361925      -1.68453438      -1.44211200       0.18243649 
O       3.89180288       8.78729205       4.13148075      -0.80013789      -2.70901331      -0.16193593 
O       0.41928738       3.99949307       8.96477191       3.67930623       1.06918986       1.57795721 
O       9.40949937       3.77395724       0.72503700      -1.38859394      -0.91857239       0.55066837 
O       5.29308137       0.78635795       6.49792865       0.16455547       2.90408592       5.03658920 
O       6.33951853       3.20018309       9.35055395       0.98174937       0.41136091       0.91485480 
O       4.02427546       3.23604009       6.03521481       2.11608860       0.18491457       0.88170631 
O       1.94439630       3.18962019       7.14286218      -0.45131914       0.84761023      -0.10839489 
O       8.64509868       4.75472715       8.70837638      -2.52801952       0.43572523      -1.17636887 
O       9.43613230       3.81463852       6.09029800       1.74604701       2.46702144       1.89459472 
O       6.84773219       3.04937813       6.48612037      -5.54141164       4.51073655       4.78138284 
O       6.43033479       0.66749017       9.21940388      -0.50725108       0.99203586      -0.20663214 
O       6.51262676       1.01524348       1.62653770       1.93439073       2.43143844      -1.42880462 
O       8.86115852       1.58614288       8.72743355      -0.03655374      -0.77248017       0.09356620 
O       6.64541635       9.32526834       0.56773002       1.60986811      -2.09170850      -0.60512449 
O       8.63683007       9.09289149       6.46386012      -1.27442096       0.72344749      -1.96395113 
O       1.65737081       6.38097954       6.29294268       0.73233204      -1.05446810       1.44366575 
O       7.96783349       7.07661762       7.85247996       0.51507993       0.94024468      -0.91635871 
O       8.88160853       7.04152131      10.26918101      -1.58641805       1.12733588       0.41375752 
O       9.49386679       6.94945015       6.16821185      -0.12046541      -4.18967174      -4.97449055 
O       6.33675011       8.47600424       5.58544986      -1.12818094      -0.81400589       2.52717315 
O       6.04882307       6.27735443       8.73682330      -1.04835503      -1.09741070       0.05327303 
O       3.44320690       6.51284895       9.18152712      -0.47304786       0.16769910      -3.08864509 
O       5.96607436       6.80507394       0.85880969       1.86354338      -1.24168495      -1.25235808 
O       9.03176689       6.44646174       3.01356698      -1.27561145       0.28623824       1.41541125 
O       9.12378248       1.01940579       0.65517083      -1.45957159       1.77313309       3.36159010 
O       9.23112006       9.16124593       3.73269163       1.29422678      -2.77812445      -0.06136403 
O       9.84788600       9.30460262       0.96469854      -1.23770387      -3.03713852       4.76426411 
O       6.59131594       3.35278354       3.99850904      -1.62377031      -1.93228897      -3.25045536 
O       5.41573896       5.88118207       3.42193508       2.48359212       0.25897546      -1.46156196 
O       7.07943428       8.75887611       3.29390572      -2.41529503      -1.52563773      -3.07948503 
O       7.88394564       1.21161117       6.21322561       2.22679301      -6.11193319      -0.19047352 
O       1.16623307       6.72973813       3.99791968       0.82022872       0.20179213      -2.22974748 
O       9.31748536       3.77034221       3.34605209      -1.42383578       0.72519874       0.95549140 
O       3.51747809       6.64360905       1.57685255      -1.10465265       2.45902055       2.36623576 
O       4.11946199       8.89345239       9.36858700      -2.33759475       1.84865951       2.80005463 
O       3.78040264       1.67717014       8.99895839      -2.11111804      -2.14257278       0.97037894 
O       7.57428627       4.98616644       5.02402018      -0.47278672       4.56029349       0.95538763 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02725529211517003 0.003993267544252011 -0.011164084862921501 0.003993267544252011 -0.05236823227273496 0.004783736780638461 -0.011164084862921501 0.004783736780638461 -0.02878392273441917" pbc="T T T" energy=-923.95412784 free_energy=-923.95414926 config_type=crystal 
Hf      10.25142499      10.24776423       9.94338107      -0.26609267       1.14484018       1.55889793 
Hf       5.20796741       1.84645370       3.04366191       1.27328402       0.43606797      -3.73700646 
Hf      10.23990579       2.64057506       7.59387627       5.04262101      -2.05283898       5.79244148 
Hf       9.40164324      10.46483290       5.21665687       0.07751356      -7.57525687      -5.99895642 
Hf       7.33365619       5.27418643       7.26794530      -1.10182549       0.01183130       1.26953552 
Hf       7.86641821       7.65628413       4.67766369       1.19688257       2.19707966       2.48385764 
Hf       7.68457113       2.49771457       0.45526944      -0.80337526       0.37942505      -5.19589050 
Hf       8.07220652      10.24176930       2.42957029      -2.71713391      -3.45707571      -4.53962406 
Hf       2.45065435       2.16839297       5.10513982      -1.38939668       2.46795037      -0.37214508 
Hf       4.99338906       2.58948619       7.75835480       1.15667606      -1.66395607       3.19097490 
Hf       5.00959493       9.99525679       5.22121814       0.78054532      -1.35429717       0.52713116 
Hf       2.78178618       3.16364873       0.20041350      -0.92722332      -1.50117194       1.00296461 
Hf       2.61443687      10.43889661       2.62514537      -1.46181531      -2.20185206      -3.43162618 
Hf      10.46024044       2.38973541       2.19852777       2.01811333       1.17371277      -1.58253390 
Hf       2.58010994       0.09244009       7.99846942       0.95154957      -2.75223325       0.72186969 
Hf       7.28043075      10.22200011       7.63330203       0.18666015       3.40319166       0.44568871 
Hf       2.43671986       5.12634089       7.60795289      -0.48346787      -0.96308830       4.62242745 
Hf       5.26923487       4.55798876       5.07918930      -1.71498920       1.65490248       0.00301041 
Hf      10.40732972       5.36957852       4.91930762       0.21960791       1.54124419      -1.10992484 
Hf       2.28544088       8.12300956       5.39414017      -4.56438646      -1.54821793      -4.63005705 
Hf       5.74590371       4.97901290      10.16300612      -3.62047542      -3.48603531       4.04616321 
Hf       5.17353215       7.54775717       2.37509100       0.62841968       2.50668859      -0.42915241 
Hf       4.57659075       7.58144839       7.60982121       3.66433042      -0.27599443       4.13543019 
Hf       7.10408166       7.81515163       9.60930133       2.37655828       0.20691490       2.98294380 
Hf       7.45935295       5.03411891       2.98357902       1.25305359      -1.97047697      -3.43064486 
Hf       2.81566998       4.98894103       3.12706298      -3.74339326       1.74353117      -3.80160976 
Hf       0.34846679       7.99998901       2.42404068      -0.52177796       1.03754713       2.08862329 
Hf      10.04988282       5.67551046      10.14995560       1.60063411      -2.97560116       0.02970429 
Hf       8.06330366       2.82890857       5.24669298      -0.00332091      -1.20001281      -1.23263041 
Hf      10.04604340       7.95642617       7.64138842      -2.48567569       0.73400670      -2.63706343 
Hf       5.07238239      10.36145291       0.14932389       3.77211260       4.04639926       1.58221084 
Hf       2.68359208       7.84127641       0.07637134      -1.02213839      -0.57877959       0.15674488 
O       1.61228860       9.07636358       1.19226293       2.86481214       2.73222580       1.15391357 
O       0.93997445       6.73906446       1.19738331       0.43223389      -3.85714568      -4.53979314 
O       2.30881243       0.52531354       6.11354071       1.12597823       0.23689575       0.04243086 
O       1.50491198       1.37120868       3.37123618      -1.39526973       2.38289057       2.37041763 
O       4.05326055       4.56099790       0.84142366      -1.17264113      -1.78737606      -0.22498823 
O       0.95666217       0.80849972       8.54998196      -2.65510576       1.26634403       0.34967953 
O       3.87838741       3.50180401       3.58673597       2.28813286      -3.44613139      -0.76290119 
O       6.49391099       3.75778225       1.45307456       1.15005447       2.14559938       1.16239926 
O       3.79714092       0.79119323       4.07436387       0.04491233       1.61114263       0.28813092 
O       1.37704296       3.94204472       4.42111410      -0.66636164      -0.00220271      -0.08272406 
O       1.44866861       1.53955792       1.07396284      -0.84496131      -0.99966525      -2.08445853 
O       3.43538771       5.55503100       4.77414070       1.43534906       1.64032313       2.26157972 
O       4.01222206       1.52076796       0.96737789       0.23996558       0.67876909       2.53989495 
O       9.02258960       1.14446463       3.31055587       0.95064707       1.62822288       2.76038878 
O       0.51179100       8.99952283       6.20512080       2.47097857       0.34494991       0.34751607 
O       6.17222239       0.24874201       3.83435443       0.04455500       3.56961749       1.79148020 
O       6.08458649       8.89165587       8.13366007      -0.95950602      -1.91707772       1.85910622 
O      10.39315744       1.29193674       5.66644914       5.97657362       9.85431294       4.48979166 
O       4.39032023       4.20824467       8.68191584      -3.57837055       1.30294224      -0.60361629 
O       1.50509995       8.81983890       9.16381454      -1.58498671       1.64068831      -0.82685168 
O       1.42247558       3.88913453       1.66844374       1.35026025       0.30805418       0.08405662 
O       3.21404055       8.74587228       6.99322137       0.10661346       0.80497972      -0.83024741 
O       8.65964575       9.32917412       8.83357443       1.71566390       0.29388186       0.55793287 
O       0.46070946       6.59047864       8.51662681       0.65008221      -1.85880724       1.84758074 
O       1.50545737       9.19861340       3.67857279       0.73957688       0.26501211       1.21111648 
O       5.26427954       6.29834282       6.43711406       0.06740249      -3.99876117      -1.35616317 
O       4.47761870       9.48026962       1.95758360      -1.73035775       0.43573166      -1.43387419 
O       3.96792984       8.50546167       4.07838875      -0.35588953       0.03712116       2.57754625 
O       0.77304327       4.19972519       9.05970631       1.85994453      -0.83883746      -0.07518501 
O       9.33438053       3.91473108       0.55087902      -1.23878949      -1.13607900       1.31070971 
O       5.14279124       0.79851172       6.95689570       0.22952549      -3.60638767      -2.46499621 
O       6.35552627       3.29523377       9.40650227       1.95737144       0.71135647      -0.42021287 
O       4.18408690       3.26439669       5.94265519      -2.52039465      -2.23385860       1.43686072 
O       1.94055081       3.40356418       7.08258053      -0.99480438      -3.32875852      -2.08459386 
O       8.54307573       4.76290105       8.52133450       1.69984826      -0.38606422       2.19462436 
O       9.49088905       3.76529771       6.35750522      -2.05058709       2.62515927      -4.11318612 
O       6.43311535       3.07630683       6.43005597       2.95353598       2.63469272       0.29209251 
O       6.45079716       1.08934920       9.34584981       0.05269135      -3.33510357      -0.16235549 
O       6.62632475       1.15195948       1.63908458       0.22595301       0.42687307       0.44759816 
O       9.07797328       1.80812794       8.84134558      -0.69319973      -0.68953950      -0.58459051 
O       6.63392489       9.10793173       0.91344158       0.34495425       0.27976719      -3.16487629 
O       8.59325886       9.14452952       6.22776892      -3.26430437      -2.74257004       2.96065617 
O       1.54248846       6.22316903       6.41391322      -0.14751855       1.76070532      -2.38606441 
O       7.84023555       7.02182486       7.47546681       1.53500181       2.76292077       0.96846810 
O       8.86314490       7.13920612      10.23782019      -1.85375670      -0.07462071      -0.98523085 
O       9.59782221       7.03305960       5.82287780      -0.14082543      -2.93441909      -1.31976149 
O       6.15893377       8.48614672       5.86573302      -0.25756213       1.24647044      -1.56097637 
O       5.96838540       6.32601022       8.88930035       0.37880132       1.63574319      -2.93416875 
O       3.39333943       6.51077518       9.16558542      -0.47990741       0.66369747      -2.25694651 
O       6.35485381       6.69303662       0.80815454      -0.63269940      -1.18600161       1.60350980 
O       9.07004021       6.15326402       2.96763826      -0.83639993       2.88659909       1.40301661 
O       9.09378090       1.08930441       0.72531907       1.46016711      -1.17025607       2.07432017 
O       9.42657404       8.81674530       3.77669645      -2.48945869       1.01992861      -0.15216358 
O       9.82251604       8.93394361       0.97709209      -2.74223898       2.89541858       0.20231029 
O       6.49240763       3.11583766       3.92216470       0.48953296       1.27297004       0.60700729 
O       5.68290232       5.89148489       3.56848438       1.15970296       1.27312942      -0.92169601 
O       6.87176028       8.87894080       3.31115475       1.30220407      -5.44814087       0.53915510 
O       7.89044390       0.88342023       6.09151365      -1.42313448       4.02312702      -0.99967758 
O       1.12917623       6.74454979       4.02274091       0.46486935      -1.11362317      -0.64571745 
O       9.05792674       3.87122508       3.26456781       0.78955713      -3.16812068       2.59977886 
O       3.45535366       6.72282667       1.75077128       0.93819045       1.21089912       0.73708304 
O       4.21638643       9.18069516       9.46693631      -3.41403464      -2.80998852      -0.39022099 
O       3.56758973       1.39818876       9.00021151       0.62134577       2.36665810       0.19639650 
O       7.74191000       5.16914608       5.20436128      -1.46186754       0.00631820      -1.37094186 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.05873617205387198 0.017950885268591232 0.0020368802275809615 0.017950885268591232 -0.03587602697716259 -0.00716124509685518 0.0020368802275809615 -0.00716124509685518 -0.03845047748808095" pbc="T T T" energy=-929.35974258 free_energy=-929.35980196 config_type=crystal 
Hf       0.12404258       0.05234743       0.08807904      -3.27059046      -0.50944851      -1.06318118 
Hf       5.03722789       2.34521554       2.63541198       0.94673733       1.28665823      -1.20576284 
Hf      10.41184526       2.69565867       7.61235267      -3.43106078      -1.44109817      -0.73657179 
Hf       0.01089144      10.29345244       4.75203744      -1.68745332       3.16318674       2.49421575 
Hf       7.70117010       5.11356417       7.97691418       3.15823231      -0.69782894      -3.95684729 
Hf       7.55236659       7.93519946       5.05706459       4.40668413      -4.52981153       4.12537290 
Hf       7.96570320       2.16458024       9.90173292      -0.43639894      -0.31029876       4.92241677 
Hf       7.22901470       0.04491130       3.07000565       2.24435477       0.11944453      -1.66056243 
Hf       2.35600986       2.52293026       5.13946990      -0.71074226       0.99933964      -0.51470888 
Hf       5.60077677       2.57518465       7.46218782      -1.49472026      -4.09366670       4.02818675 
Hf       4.23848937      10.17460800       5.57249176       2.91383425       2.47349289      -1.23192120 
Hf       2.51620667       2.59973333       9.89562328       0.21273895      -2.29198556       0.10723208 
Hf       2.40183842      10.29164179       2.40387703       3.05517446       2.15238568      -0.56395777 
Hf      10.31455062       2.78704461       2.54772887      -1.07833883      -3.40255564      -1.84686057 
Hf       2.14981839      10.26866701       7.86853699      -1.22434388      -1.30815686      -0.43714008 
Hf       7.10149075      10.00140474       7.46785464      -1.04287508       3.81716096       0.88148211 
Hf       2.34172088       5.68098229       7.49791263      -2.73932845      -6.02984132       3.38370398 
Hf       5.01471321       4.86334778       5.12909256       1.35368558      -0.31319348      -1.44982067 
Hf       0.07683949       5.01942394       4.95814455      -2.13014683       0.79150692       1.24903423 
Hf       2.25297096       7.68995536       5.00680642      -0.30244030      -1.62563247      -1.18668318 
Hf       5.39472000       5.04023808       0.30973013      -2.20566557      -2.42784217       2.23689149 
Hf       4.92981862       7.70153485       2.75106192       0.11327530      -0.67598153      -3.47541825 
Hf       5.00153878       7.34896782       7.89940391       2.19639622       2.62734939      -1.79333759 
Hf       7.84017097       7.84971049      10.28922378      -4.22347690       3.72842201       3.08894017 
Hf       8.06986356       4.76950710       1.90908250      -0.45951419      -2.13139125       1.07314806 
Hf       2.93054887       5.38849460       2.41872459       3.10519675      -6.25064029       4.50802510 
Hf      10.06000165       7.88385511       2.48837129      -2.91766986      -3.63907686      -0.29167994 
Hf       0.50528605       5.28219485       0.26717697      -2.09920974      -1.84102636      -2.80804639 
Hf       7.91455593       2.84132818       5.26414840       0.14018957      -1.17777067      -1.78531414 
Hf      10.02040278       8.19615626       8.08502228      -1.03539832      -1.12112704      -1.36797697 
Hf       5.04622705      10.10777451      10.25123775       2.06373854       2.52524215       0.82020820 
Hf       2.40480517       7.69672731      10.21731198      -1.11244365       1.78066144       3.19477936 
O       0.81179186       9.12425220       1.86055806       2.73536689       2.07785625      -2.91449958 
O       1.83575808       6.39160839       1.31691495      -4.98257868       3.69747673      -3.73198262 
O       2.75341011       0.86847387       6.32882636       0.36415058      -0.77147360      -0.95125572 
O       1.19714520       1.18123700       3.29348540      -2.10370133      -1.36215677       0.32555858 
O       3.92053867       3.86889876       1.41351086       0.78780864      -2.38932387       2.89283493 
O       1.02202119       1.05055184       8.78152706       1.40462934       0.76056777       0.02827905 
O       3.42153684       3.90432810       4.09755602       0.64582643       1.24550460      -0.30802846 
O       6.41275911       3.59468316       1.39925129       0.72729147       1.82821077      -1.32634390 
O       3.56643866       1.46093468       3.75799178       0.18578781      -1.72698716       0.96795090 
O       0.68185775       3.26051885       4.18830782       1.54812059       1.84135342       0.26514218 
O       1.70304510       1.06317135       0.74608045       1.93086017      -0.62573950       1.03185421 
O       3.81533724       6.61505621       4.15176351      -1.72477162       0.99088257       1.15357972 
O       4.61837172       0.75601591       1.42118060      -1.69042305      -0.00312968       0.18111742 
O       8.83392996       1.76396780       3.75261613      -0.52510406      -2.99150800       0.69707445 
O       0.52004559       9.26916522       6.68776312       2.27605713       1.21491494      -1.51085798 
O       6.06148947       0.70449541       4.49815653      -0.50363002      -1.19883807      -0.41699343 
O       6.73330145       8.93268264       8.99673976      -3.01490015      -4.38575230       0.31376461 
O       0.25622304       1.53779646       5.80632812      -0.09440851      -0.57184100       1.56741215 
O       3.54600141       4.08544203       9.78163841       2.42738279       4.57872490      -2.91364895 
O       0.93897262       8.78410625       9.34566550       4.30866369       1.17055831       1.66887981 
O       1.21151980       3.87222230       1.41163930       2.30650603      -0.82781531       0.39331456 
O       3.25010101       8.61013623       6.41758152       0.65470797       0.26343165       1.21018392 
O       9.30893793       9.67794935       9.09640907      -2.55834384      -1.76305903      -0.30434068 
O       1.08620034       6.30854800       9.08759329       0.77005524      -0.51133623      -0.70341100 
O       1.55317340       9.31672258       4.07420122      -0.10422683      -1.81522626       1.16570681 
O       4.14840878       5.99111652       6.80077684       0.54351762      -0.52307655      -1.70079520 
O       3.46978058       8.80527393       1.04908751       0.31007211       0.94766437       1.17400348 
O       3.91215713       9.11871914       3.81530271      -0.21493862      -0.01173823      -0.24746745 
O       1.24481581       3.62802031       8.54217763       2.58589182       1.47677617       3.92057970 
O       9.33034434       3.53690828       0.77423003      -2.31918447       2.27381951       0.66782342 
O       5.15887340       0.36116512       7.27301063      -0.17170522      -0.31846082      -2.66908721 
O       6.86815844       3.56616057       9.08238991      -6.28658749       1.49705059      -0.51473424 
O       3.85414361       3.28567866       6.66550706       1.97787021       0.09280582      -1.25163972 
O       1.38744458       4.06913066       6.31269219       0.59413794       0.61378188      -0.35246564 
O       8.95191041       3.75170767       8.65260169       2.24423637       2.09578275       0.21143248 
O       9.12787152       4.06155303       6.25259538       0.78474795      -0.09048606       0.52073625 
O       6.64081876       3.92415799       6.50578929      -1.39840285       1.31992879       1.00081040 
O       6.71977745       0.66586749       9.23228923      -0.94800608       2.45209752       1.67963076 
O       7.00115757       1.35060272       1.78027958      -1.19918171      -0.03487108       0.40776047 
O       9.23970422       1.46736878       8.88325402       3.25770004      -0.86766348      -3.24093024 
O       6.38471169       9.06595693       0.95489548      -2.15202246      -0.49752503       1.20519582 
O       8.47310856       9.36660522       6.36206032       2.45827224      -0.78518296      -3.41194865 
O       1.10752334       6.57646859       6.39438067       0.23059170       1.93354560      -1.63949858 
O       8.69896005       6.93412606       7.38269525      -1.72062245      -2.11750516       0.56925230 
O       9.37957651       6.99383500       9.96774220       3.76042575      -2.79588309      -1.30528526 
O       9.30772228       6.73673384       4.61678777      -0.54454386       1.05512855      -1.25558276 
O       6.12490355       8.41493846       6.40090007      -2.51112957       1.13740288       0.89522405 
O       6.26631018       6.19258784       8.85305014      -1.43444578       0.12888122       1.35489804 
O       3.33581940       6.90601060       8.85766396       3.27824277      -0.91199730      -2.06801606 
O       7.06074751       6.17643525       0.93555038       0.33257607       0.97804610      -1.26249096 
O       9.79739663       5.76715355       1.63592902      -1.75962074       3.74034697       3.13110618 
O       9.39924491       1.24580047       0.96504633       0.74760276      -0.56028013       1.22152587 
O       9.14850312       9.11684789       3.66980023      -1.03969742       2.49096256       2.31750390 
O       8.85957257       8.95006794       1.26920844       0.43265529      -1.75188513      -0.22140095 
O       6.33541369       3.38570957       4.09760930      -1.47457472       0.17454891       0.19465008 
O       5.25015750       5.69346031       2.70162022       1.77620451      -0.85534732       2.32851906 
O       6.61656062       8.35845479       3.49344424      -0.67025359       1.15815348      -1.45584642 
O       7.39536459       1.49799999       6.85569697       0.05576178       2.29335503      -1.80185055 
O       1.33164069       5.93519038       3.78534289       1.46512144       2.52396370      -0.71412613 
O       9.01200419       4.23319662       3.68010735      -0.73595216       0.03202266      -1.62801112 
O       4.00915819       6.32627125       1.09789391       1.81645344       3.59473806      -4.03385253 
O       3.54756988       9.52467698       8.99078805       0.71026857      -2.51439510       0.92151869 
O       4.10090531       1.58825433       9.10829951      -1.22697690       0.56775307       0.59155287 
O       6.50999273       6.08913636       5.56820721       0.52329843       1.70515309      -1.04624587 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03933989853660958 0.005165620907554814 -0.006475385450837307 0.005165620907554814 -0.025955231907725515 -0.021206196594627028 -0.006475385450837307 -0.021206196594627028 -0.02672111878565742" pbc="T T T" energy=-928.7863138 free_energy=-928.78633476 config_type=crystal 
Hf      10.16270699      10.25813058       0.01219700      -1.74917161       2.80789771      -2.00706108 
Hf       5.37491889       2.31845734       2.20035392      -0.34240694       2.47329704       3.05720376 
Hf       0.06820090       2.68124577       7.39494385      -0.96251479       0.21223530       1.13837665 
Hf      10.22557725      10.45650034       5.71679836       0.99178142      -2.71815037      -3.74424522 
Hf       7.52062679       5.30955999       8.01527542      -3.28563555      -5.68733865      -4.00203628 
Hf       8.07824834       7.72840378       5.14076247      -2.25359959      -0.04795177      -2.26994586 
Hf       7.78092820       2.67030304      10.03685764       1.63446357      -1.61600436       1.01150351 
Hf       7.89110808      10.22546201       2.76207707       0.25014260       3.98394514       2.15689085 
Hf       2.65813807       2.23033393       5.06666795       1.25086976       2.47974933      -0.60923642 
Hf       4.83372436       2.64704798       7.83779944       2.03120036      -0.19369651      -0.74891339 
Hf       5.12915493      10.06635589       5.02173854       0.44302340       1.61110664       0.05819535 
Hf       2.67015306       2.77980828      10.12571285      -1.54535206       3.04235821       0.34779142 
Hf       2.54543583       0.11501360       2.28166227       2.52532805      -3.23327971      -1.39066762 
Hf       0.00370231       2.29356767       2.63207064      -1.69143937       2.27009257      -0.80770716 
Hf       2.67234782      10.31590966       7.96839040       0.23339169      -4.20926193      -3.20590622 
Hf       7.51991132      10.20164817       7.82939633       0.43609937       0.95057376      -0.47831329 
Hf       2.40222808       5.35069498       7.15930866       0.74946426      -1.73373040       3.33662121 
Hf       5.12709895       5.19258304       5.33883374       2.49768915      -0.14412107      -2.99857388 
Hf       9.96373888       4.94793666       4.86281118       1.59794933      -1.43964170      -3.15289395 
Hf       2.41412668       8.19245217       5.07253447       2.41061318      -2.02089591      -1.67428473 
Hf       5.19997374       4.82004577      10.30683348       1.63068319       4.81442421       2.44452589 
Hf       4.78683568       7.62943540       2.31511779      -2.09135481       0.36674625      -1.77460200 
Hf       4.99729494       7.66732346       7.75669926       0.90518210       0.57025355       0.72272434 
Hf       7.44645733       8.10235336       0.11236816       1.90276268      -6.77004326      -1.86888002 
Hf       7.43405175       4.99832712       1.96419877       1.29223059       1.57673944       6.13053678 
Hf       2.72609501       5.18034439       2.81597454      -0.57355670      -5.11953851      -2.04369435 
Hf      10.39210726       7.60338858       2.40499691      -1.40723639       0.51361942       3.74249523 
Hf      10.42849374       4.93706584      10.01054100      -1.43156536      -1.53135928       1.40334360 
Hf       7.68040077       2.27087946       5.26700473      -3.88700379       1.91546079      -0.45686887 
Hf       9.93122437       7.48401540       7.70411121       0.44570785       0.37392941       2.88624588 
Hf       5.43948854       0.03410746      10.41438969      -0.61047549       1.11884184       0.72988138 
Hf       2.09945483       7.68104622       0.12507381       0.26512190       0.06015722      -2.23722519 
O       0.96391515       9.42860898       1.30463266      -1.55165373      -2.08310607      -0.94235039 
O       1.27479687       6.26268364       3.36235676      -1.88702260       2.68504602       2.34025994 
O       4.35333677       1.33244010       6.47859308      -0.90476496      -0.28377904      -2.83680394 
O       1.52872656       1.22207464       3.40684271      -5.01613813       2.26074363       1.87084893 
O       1.05541171       3.72128180       0.71413918       0.23427136       0.63639428      -1.44515226 
O       2.75380908       1.61596160       8.26112269       0.79764635       6.68234321       3.10018702 
O       3.89164798       3.85054952       4.28023528      -2.34995317      -0.14648986      -1.33544681 
O       3.90618637       3.62714482       1.28091217      -1.46044466       0.52593214      -0.36479965 
O       3.57898910       1.12892002       3.83929595       3.80886725      -0.89114772       1.65536533 
O       1.16023552       3.87172599       3.16788241       0.99196739      -1.47765970       1.85949089 
O       2.08947081       1.35222236       0.60796816      -1.08182795      -3.97040849       2.77693598 
O       3.20900275       6.41484733       1.05786007       1.22129097      -1.37983952       1.96846828 
O       4.44400807       0.68493241       1.74226048      -0.87362699      -2.30885632      -2.34974852 
O       9.22875763       1.32302386       4.08224063      -0.09970707      -1.25097304      -0.28254550 
O       1.23640748       9.06791327       6.22413705      -3.21702488       1.69241446       2.82641814 
O       6.56136094       0.97195099       4.03519035      -0.98966907       1.25791874       0.86265211 
O       6.66789252       8.86850924       8.99314923      -2.99063633       1.27519805      -0.33987579 
O       1.24412410       1.23292297       6.36561642       1.49637451       0.69877623      -1.47113906 
O       4.03668722       4.11793351       9.15419506      -5.52225827      -1.07875826      -4.64490303 
O       1.18884488       9.80583291       9.11412992      -0.31851831      -1.21035848       0.79757562 
O       8.34812496       4.48077081       0.40207781       3.56730137      -0.80678202      -2.94769540 
O       3.71533710       9.26340943       6.39865151      -0.97965744      -0.03078110      -1.45953456 
O       8.95877927       9.14798985       9.01047927       2.60724852       0.30715728       3.14153666 
O       0.30563136       6.39960634       1.07229882       3.66518854      -0.98261457      -0.38754346 
O       1.41184192       8.99499138       3.62604095       0.80097769      -0.15316081      -0.51751567 
O       3.76755674       6.49464122       3.73688303       2.69894810       1.22342183      -0.01642645 
O       3.42671290       8.95669786       0.83423694       1.59669607       0.17356262       1.04188974 
O       3.97412059       9.07353237       3.63061541       1.14854666      -0.32890524       0.72912545 
O       1.13425098       3.94358995       8.54927559       3.46460565       1.87316676       0.23766064 
O       6.23372157       3.68282312       0.94831925       2.82652432      -1.25716488       0.35310367 
O       6.88454862       1.69685256       7.05135378      -0.13039152      -1.54700304       0.17612899 
O       6.47451262       3.74377178       8.96699828       0.52546270       1.39823319      -1.52279385 
O       3.76423048       4.16346535       6.58632838       2.23772533      -3.06764011       1.11656326 
O       1.23829663       4.10899370       5.76606653       0.34733813       0.51032763       1.82605015 
O       9.20429027       3.94316429       8.24391291      -2.09249293       1.02057764       0.48406240 
O       9.43685174       3.09441639       5.52251932       0.80867793       2.55382703       1.89729978 
O       6.65375540       4.11028428       6.04706590       1.14567539      -3.66627762       0.40325433 
O       7.28991637       0.80843817       9.65215351       0.25717034      -2.29682424      -1.98029331 
O       6.81028088       1.25412236       1.45059826       0.55178212      -0.93331501      -0.34078222 
O      10.05076523       1.95486344       9.48367940      -0.92229846      -1.32215987      -0.07506801 
O       6.15756301       8.82929637       1.33514027      -2.13659269       2.20677035       0.95972448 
O       8.81581098       8.93682454       6.76473784       0.83237591       0.02573783      -2.40753332 
O       0.57871105       6.74152695       9.48295745       0.49556111       1.25774333      -4.60215412 
O       8.49283274       6.46206339       8.87522331       6.19395957       6.19979771       4.44779140 
O       8.69478267       6.86439270       1.52681156      -3.94106890      -1.13376215       0.09944293 
O       8.81194749       6.31527148       6.48634791       1.12552039      -1.24089913      -0.37215939 
O       6.13447154       9.06316151       6.52494055       1.11919148       0.32211693       0.59655269 
O       6.13815334       6.65552911       9.37879573      -1.41971561      -2.49223934      -0.47232744 
O       3.93861223       6.80010396       6.11447168      -1.71872164      -1.11689691       1.08735656 
O       5.92092276       6.29878533       1.22938288       0.23393605      -0.52758343       2.34811033 
O       9.22783995       6.60941859       4.01343645       2.00662719       0.77419169      -0.62854835 
O       9.13351405       1.14520962       1.38442236       3.08245135       0.01292403       0.10359513 
O       9.40661217       9.28994847       4.19259038      -1.27497490      -1.16684117      -0.80829490 
O       8.47293764       9.12731231       1.30636712       4.85633604       2.63135586      -0.01755431 
O       6.23963299       3.67865757       3.43084715       1.76883572       0.26042563      -0.18673078 
O       6.88534101       6.06498288       4.44470470      -1.34180973       2.28928550      -0.88041789 
O       6.92410604       9.18454243       4.21276952      -1.59140007      -2.18655613      -0.94789455 
O       9.40957965       1.00329077       7.06590442      -3.17844216      -0.36780677       1.23189791 
O       1.10879729       6.59030239       6.84453790      -3.36382806       3.01453686      -2.29703168 
O       9.24554583       3.97018677       2.91049323      -1.55996389       0.71894269       1.40501170 
O       3.38058333       7.15168592       8.83511589      -1.34479665      -0.02647967       0.11530027 
O       4.47118094       9.94643836       8.68771108      -0.10365188      -0.09094604       1.70373968 
O       5.16088050       2.01014947       9.83609133      -2.45130847      -1.91592509      -0.53538795 
O       6.08737992       6.03807397       6.98215870      -2.35739157       3.54238275       0.15000633 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04155311592098848 -0.006013233694041431 -0.0030902576068846856 -0.006013233694041431 -0.04819583049554383 0.019781297541450183 -0.0030902576068846856 0.019781297541450183 -0.025002006389282096" pbc="T T T" energy=-920.86987549 free_energy=-920.87485257 config_type=crystal 
Hf       0.14228202       0.20576413       0.02487962       2.59633422      -3.79374288      -4.37618453 
Hf       5.24590226       2.08067847       3.02253882      -7.32167268       0.52406935      -5.00255185 
Hf       0.20756725       2.31628592       7.89897982      -2.61370679      -0.59064868      -3.63271934 
Hf      10.38618590       0.06535545       4.97943730      -1.59900961       3.26493690       2.69993294 
Hf       7.44080213       5.25033406       7.68184531      -0.51984212       0.85032060      -2.09967686 
Hf       7.36932280       7.79614333       5.27116860      -0.11160992       2.06237453      -3.11554135 
Hf       7.96314819       2.62587162      10.23744540      -0.82257265      -0.34478101       0.89390013 
Hf       8.05960176      10.36129874       2.27639829      -3.53949273      -2.00176793      -2.09518812 
Hf       2.14035747       2.61452542       4.72722889       2.59458583      -3.61302336       1.63737900 
Hf       5.57988508       2.04339797       7.81034586      -4.07901462       1.65049457      -5.87361279 
Hf       5.19011898      10.16972175       4.83291061      -2.48505726       1.58181421       1.09690024 
Hf       2.46866155       3.03994788       0.00717835       1.92400854      -5.19284375      -1.13745037 
Hf       2.19730250       9.97155211       2.31197081       4.27187974       4.16248724      -0.38975915 
Hf      10.40949591       2.80947022       2.22200283       0.41472259      -1.98408318       2.77303223 
Hf       2.77404098       9.88091628       7.99619135      -0.15819408       4.86638477       0.65389462 
Hf       8.06373173      10.14259504       8.16037557      -2.63727704       0.47059893      -3.05560245 
Hf       2.52930365       4.91109229       7.43602808      -2.90381183      -2.96110130      -0.68348090 
Hf       4.83666850       4.87333913       5.33010273       4.26849286      -1.13621537      -2.51356444 
Hf       9.77143972       5.68555990       5.49643012       4.01176005      -5.38041940      -0.10429641 
Hf       2.04363649       8.12180218       4.86100995       3.02210952      -2.42249182       6.89301828 
Hf       5.13951668       4.73232509       9.86754320      -1.30271194       1.60987192      -0.09162586 
Hf       4.98509292       7.87326991       2.45630065       0.85769701      -1.06339198      -1.83485777 
Hf       4.97442012       7.97590105       7.47737135       1.60133894      -1.31684260       2.25933069 
Hf       7.28781946       7.44711660       0.13517956      -0.02780418       0.26913108       0.92090551 
Hf       7.72416351       5.00709790       2.59427207      -4.21267815      -2.66193411       2.75476754 
Hf       2.36245599       5.71243835       3.40632495      -0.77158092      -8.88797020       1.00315331 
Hf       9.80423315       7.44962503       2.32399846      -0.78658375       0.53308930      -0.86218004 
Hf       0.00457896       5.33142859       9.81373646      -1.25716336      -3.87361418       2.34917916 
Hf       7.87759517       2.54577096       5.15371408      -0.29063797       0.74923925       1.14270552 
Hf       0.04174674       7.79594604       7.76072749      -0.75719833      -2.31976828       4.42097506 
Hf       5.12050682       0.45331844       0.06749904      -3.29869895      -2.67780102       1.79412111 
Hf       2.19053149       7.36124677       0.07685624       2.33564150      -1.67247786       1.13511136 
O       0.98006229       8.76332027       1.31854297       0.14571556       0.90536363       1.82609181 
O       0.55781895       6.35531642       1.04450792       0.96216580      -1.03295781       0.54003304 
O       4.06258594       1.08860495       6.57887843       1.99460430      -1.53220678       3.32613589 
O       1.38457726       1.31875135       3.13596490      -1.47064156      -1.45970811       1.64323730 
O       3.08139214       4.78532572      10.44281757       1.34679308       1.53228106       0.97046250 
O       1.10270889       0.66329616       8.58292401       1.03922007       0.09637587       0.13510665 
O       4.34935417       3.85997904       3.37137737      -2.45504232       0.58814000       1.98934287 
O       5.83329031       3.86828879       0.91557292       1.46409861      -1.73200849      -0.33051491 
O       3.92233614       1.23622599       4.29144521       0.04077238       0.01023411      -0.46721219 
O       1.59713668       3.64673911       3.22458839       0.30604496       3.22734446      -2.33253433 
O       1.59755658       1.32475466       0.79063779      -0.69198090      -3.36104305      -0.16160219 
O       3.19176210       6.84670933       2.33528657       0.48899237       3.02222426      -3.50141394 
O       4.00956752       1.44021673       1.49018132      -0.01987210       0.78872852      -0.55939919 
O       9.08955643       0.88909793       3.48445001       2.30341396       1.61432801       2.99002506 
O       0.47581229       8.97411153       6.46336884       2.41447153       3.58128939      -4.52854149 
O       6.46937068       0.50878417       3.45359889      -1.46437717      -3.50686737       2.42140689 
O       6.75315688       8.62482952       8.91740764       2.21375770       0.19000078      -1.48153420 
O       1.51429220       1.04120604       5.97185128      -1.05082623      -0.11729768      -0.84210019 
O       4.43569132       3.74108510       7.74750114       0.35050172       0.40692720       2.76290584 
O       1.58255182       8.94091860       9.62829183       0.84978186       0.71076341      -4.68123545 
O       0.56811706       3.31278758       0.41777951      -1.50195827       3.43683643       0.03075732 
O       3.49467109       8.91557920       6.33760855      -0.28377871      -1.24226268       2.05316331 
O       9.62611214       9.40971686       8.86726983       0.57200999      -1.45676346       0.04283948 
O       1.50749095       6.04457264       8.92952279      -1.01346248       2.12855757       1.41797029 
O       1.05618663       9.25786852       3.80736524      -3.86428689       1.26437448      -1.39389111 
O       3.29246546       6.36506077       4.97762320      -0.13542430       0.73794405      -0.30673265 
O       4.09346458       9.41853589       1.50594551      -1.93986541       1.66446618      -0.14376160 
O       3.52355571       9.05405351       3.83750141      -0.54240007       0.34564195       0.00743734 
O       1.66321482       3.34844980       8.49923104       2.79638625       0.80557965       2.82356776 
O       8.49788749       3.21390481       1.68981331      -0.37350535       1.87255958      -1.86112601 
O       6.87429812       1.24472287       6.23141650      -0.43838267       0.09088346       1.09703816 
O       6.88978067       3.86812122       8.85444277      -0.72263092      -4.46868748       1.71400298 
O       3.16628004       3.98646296       5.77627694      -1.27565236      -1.36792819      -1.51510556 
O       0.77717846       4.32562237       6.45739808      -2.08465412      -0.69052506      -1.42138302 
O       9.41647007       3.72109006       8.82455330      -0.64252910       1.26183738       1.12461263 
O       8.35195528       4.41805713       6.17791778       2.69909496      -0.18293355      -1.06355695 
O       6.31398906       3.62124460       6.15776616      -1.59662099      -0.29467605       0.46421991 
O       6.81425688       1.07349124       9.04409984      -0.55315619       0.08898394       0.91384654 
O       6.63694051       0.91456775       1.06124568       3.50963942       1.91186348       0.86106197 
O       9.17685166       1.33307152       9.34543179       1.06516640      -0.63922544      -3.43690223 
O       6.41583168       8.66295443       1.30340832       0.28451310       3.12189123       0.12162749 
O       8.64841500       9.93128591       5.89391002       0.55907105      -1.95551717       1.28368290 
O       1.33381159       6.70652745       6.71526338      -0.54945845       0.77473630      -1.68941409 
O       9.30423410       6.61222741       9.07943436      -1.80152755       0.75929348      -0.80500189 
O       8.68985278       6.02360989       1.23965085      -0.15011356       1.74182623      -0.55084637 
O       8.57726315       6.86262130       6.62691902       1.55784141       1.30206901       1.62592746 
O       6.22578286       9.33781846       6.29272206       0.23772247      -2.96879411       2.29760202 
O       6.53622741       6.06167064       9.37799276      -0.28033658       1.20136418      -1.34238857 
O       3.81546880       6.01626429       8.07951465       4.75885806       6.24330389      -0.04084280 
O       5.93887093       6.38510605       1.43507469       1.54139828      -1.08317609      -0.22358217 
O       8.75355823       6.46186663       4.06139520      -1.72989120       0.60165190      -2.30593474 
O       9.36548660       1.07823044       1.04373583      -1.83987412       1.05495639       3.61083193 
O       7.95849251       8.59250822       3.36235655       1.70954976       0.26591490       1.12992110 
O       8.95261604       8.74188581       1.00867228       0.38690546       0.31297254       0.17943355 
O       6.78590573       2.82463407       3.44751782       7.79618870       4.14608751       2.55416046 
O       6.15827681       5.26991078       3.81809111       1.91441470       0.97590347       0.49199450 
O       5.58560748       7.71882826       4.42634165       0.05452427       2.57117243      -1.26947814 
O       9.66905789       1.95489013       6.03573896      -0.18525067      -0.45414104       0.40365458 
O       0.71957511       6.57733529       4.04446612       0.49111160       1.99510523      -0.62562148 
O       9.83701392       4.14234927       3.83453613      -2.64850110      -0.36742358      -0.87299991 
O       4.02251756       7.54545168      10.37753621       0.28100791      -1.32318740      -0.79750261 
O       4.62156695       9.54000117       9.03518138      -3.59983584       0.12605191      -3.52447957 
O       4.05293956       1.74153716       9.47061508       0.19466184       1.12007509      -1.18137394 
O       5.91519722       6.32428717       6.35337368       2.09838060       1.88645142       2.93249501 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03656672942259426 -0.00542110326492164 0.012322559693913116 -0.00542110326492164 -0.044722822190615755 0.010565102455151241 0.012322559693913116 0.010565102455151241 -0.034713485434726424" pbc="T T T" energy=-916.91887783 free_energy=-916.9285549 config_type=crystal 
Hf       0.17763151       0.22332129       0.02912429       0.54402248      -2.99650813      -5.19911506 
Hf       5.22667543       2.08549533       2.95190191       5.63619777       6.82092394      -7.23014898 
Hf       0.09580037       2.35329210       7.89502443       0.78779993      -1.40129898      -4.48440816 
Hf      10.32243544       0.05467354       4.96557880      -1.38429053       4.58591638       6.33825886 
Hf       7.42467079       5.23043981       7.76977175       0.71368204       1.89878136      -2.06206510 
Hf       7.40414929       7.81328812       5.28570720       2.13228404       1.38285358       0.26874130 
Hf       8.01700946       2.68617744      10.16433470      -1.70409218      -0.99401771       1.57732635 
Hf       8.05089640      10.38401490       2.34193167      -1.97943149      -1.78378837      -0.90439968 
Hf       2.17102490       2.57721896       4.77342387       0.75725332      -3.42625965       2.97607931 
Hf       5.45257820       2.03493343       7.87350257      -3.71758933       1.23915235      -6.36489241 
Hf       5.17935010      10.18108198       4.79865275      -1.09666674       0.07296911       5.18713453 
Hf       2.51544515       3.03902235      10.45822559       0.69279226      -4.61150388      -1.47285408 
Hf       2.16860156       9.93196454       2.30255950       3.49263069       3.30339753       1.59284416 
Hf      10.38545641       2.72967989       2.22619277      -1.24997717       1.29779666       3.20552098 
Hf       2.79717463       9.88463429       7.92105513      -0.37100742       5.00702011      -1.03937336 
Hf       8.04988201      10.13058413       8.09464407      -2.27643878       0.33191870      -2.09873480 
Hf       2.55953286       4.85664910       7.50546891       0.88816208       1.75839908      -0.71176723 
Hf       4.87196534       4.86828773       5.30374235       5.97372011       0.95075483      -2.55780275 
Hf       9.82899440       5.74135175       5.52611205       1.38257144      -4.41227480      -0.91894982 
Hf       2.09378738       8.05351912       4.89537708      -0.10056705       2.19253994       4.03748156 
Hf       5.14310502       4.71033780       9.84511560       0.52818001       3.25235934       0.75587018 
Hf       5.00944097       7.91389174       2.42146401       1.33271134      -3.61093995       1.64530936 
Hf       4.98583383       7.91794572       7.38596594      -0.73690946      -0.32185723       3.45779354 
Hf       7.30515547       7.50201862       0.18658451      -0.61702156       1.24753390       2.03512127 
Hf       7.71383253       5.04131787       2.61302572      -5.66229517      -2.90969221       4.35167811 
Hf       2.40909736       5.69115429       3.37708113       4.24325526      -4.59197978      -2.69885068 
Hf       9.76016040       7.42154715       2.35094453       0.07575243      -1.14288301       0.48814955 
Hf      10.45368766       5.31886695       9.79259317      -3.26238554      -2.14901169      -0.88924107 
Hf       7.84648795       2.51804422       5.14276539       0.96847005       0.86451955       0.81594299 
Hf      10.44714335       7.82748395       7.81574830       2.38419854       1.31123500      -0.06391804 
Hf       5.10471981       0.40976303       0.16903248       1.60322015      -6.09878242      -4.01577362 
Hf       2.20486087       7.39238863       0.09844309       2.90009849      -2.37986817      -0.49907692 
O       1.13143610       8.69346090       1.30613487      -2.13303144       1.33404783       0.13356175 
O       0.59205378       6.03052229       0.86762475       1.40083796       3.24152082       5.29516441 
O       3.99149030       1.05878612       6.59586403       1.73564972      -0.87628392       2.02258472 
O       1.20488674       1.29555333       3.14379351       0.95020057      -0.12758034       1.16701128 
O       3.18652973       4.73360500      10.22675354       0.56975924       1.91881027       1.90663983 
O       1.05166869       0.60714102       8.62797210       0.37530175       2.65917315       0.81896932 
O       4.26206522       4.01158059       3.56517874       0.42000963      -0.66868471      -1.37525308 
O       5.98930577       3.92266404       1.00841063      -0.73416778      -1.41882306      -2.21012206 
O       4.05850276       1.49608635       4.09645320      -4.70600282      -3.34135998       4.63241973 
O       1.72296301       3.80434637       3.36895476      -2.34412285       0.90349620      -2.92382816 
O       1.73689991       1.13164406       0.75051812      -0.70487311      -1.61564701       0.68689165 
O       2.98247986       7.10914500       2.09862360      -0.75549644      -0.85768909       1.63262034 
O       4.19694599       1.36693303       1.32941222      -3.29406104       5.05748024       5.83357153 
O       9.30406853       0.89014445       3.49174411      -2.21737857       0.77872197      -0.86831514 
O       0.56130796       9.26109305       6.40488393       1.48283188      -3.25453855       0.67567953 
O       6.47336375       0.47315095       3.51130397      -0.53220685      -0.35004897       1.70709481 
O       6.99676365       8.70394991       9.09242710       1.86463152       1.31605958      -0.79451965 
O       1.51234392       1.06933584       6.17803794      -0.52184092       1.21518988      -2.42982268 
O       4.29165149       3.92056264       8.07503187       2.47729839      -2.70805109      -0.30590573 
O       1.80307329       8.86150516       9.31118847      -0.92252364      -0.41237862      -1.59562791 
O       0.68229556       3.56456301       0.41570585      -1.47940973      -0.56289053       0.93269953 
O       3.51803803       8.93552432       6.20648203      -0.06898034      -1.62316504       1.58509320 
O       9.84274888       9.41428096       8.79024080      -2.17908915      -0.97673711       0.20268197 
O       1.48182574       6.09953861       8.92341461       0.13594962       1.38269235      -1.59761902 
O       0.78409662       9.28467267       3.91536889       3.07109584      -3.77768108      -4.60299168 
O       3.26419678       6.42043304       5.01392239       1.64235829       0.15142999      -1.17442869 
O       4.20809574       9.41132751       1.72086181      -3.46631453       5.80786655      -6.85219245 
O       3.66844026       9.24780611       3.62285671      -3.25219182      -0.49808649       5.54731736 
O       1.88793513       3.26151136       8.30041657      -1.41634892      -1.49396481       3.97473842 
O       8.38264668       3.61701186       1.37097078       3.57950631      -1.76875154      -2.17373933 
O       6.66596255       1.15553107       6.26870872       0.14122920       0.04607085       0.44196064 
O       6.96003483       3.58818439       8.64927469      -2.85484253      -0.66542425       1.32954857 
O       3.23496908       4.01654052       5.61722660      -3.26457221      -0.80682316       3.29316311 
O       0.67214282       3.93016800       6.39359058       0.10116565       1.47417589      -0.39879899 
O       9.23594456       3.86867698       9.01064317       1.17081217      -0.69313575      -0.88330191 
O       8.46542438       4.44435743       6.20724439       0.02516610      -0.43504431       0.25704786 
O       6.22296944       3.35664703       6.11454923      -1.90771481       3.13163719      -0.04592000 
O       6.59893743       1.12643723       9.11228494       0.75870944      -1.41712258       1.34812077 
O       6.68339809       0.84841864       1.20290444       2.19289612       2.12956955      -0.37029874 
O       9.09070594       1.21777136       9.13794481       0.71121265       0.82219982      -0.49827233 
O       6.40823280       8.87627485       1.33694171       1.81414834       0.11820718       0.01949941 
O       8.52442653      10.08969897       5.92536492       0.79948394      -3.54470102       0.77067912 
O       1.26488046       6.67141481       6.37965002      -2.01105574       0.54649899       1.51669027 
O       9.20952441       6.68909139       8.81276940       0.22404359      -1.95548564       2.67771298 
O       8.60119621       5.97728984       1.25590004       1.75308418       4.44900946      -2.45604247 
O       8.44081991       6.86976228       6.74952877       2.87635219       0.50450617      -1.59848988 
O       6.29084473       9.26504938       6.64773765       0.25844255      -1.63776307      -1.24658717 
O       6.58780317       6.28378392       9.38520282      -0.93008637      -4.11045789      -2.44433850 
O       4.20174631       6.12740141       8.27810567      -1.27183606       2.01036344      -2.64253029 
O       5.64647691       6.33656026       1.59675665       2.35873651      -0.45136447      -3.92474718 
O       8.71460775       6.37034662       3.91523911       1.96439069      -1.39647066       1.30047513 
O       9.41734275       1.32902790       1.08324479      -0.72609616      -0.93113328       0.14318800 
O       8.19397856       8.43016595       3.53166691       2.07203031       3.69701656      -2.44454456 
O       9.02517109       8.52426316       0.98142970      -0.05667865       2.69301423      -0.25709248 
O       7.25705145       3.15501778       3.28058455      -3.13446966      -2.78105653       2.75212516 
O       6.14287213       5.75040586       3.70550777       0.25489709      -1.02944176       3.21792414 
O       5.85073883       8.09769433       4.38925582      -5.00043378       3.38994198      -2.32804745 
O       9.60956142       1.74595892       6.03511570      -0.84244704       1.99811292       1.82182377 
O       0.87721859       6.49344336       4.05448615      -3.29042146       1.74672128      -1.04757583 
O       9.46916572       3.74792257       3.91639280       1.51542172       0.41470005      -1.58597099 
O       3.99834650       7.56053682      10.18453289      -0.21931998      -0.74324240       1.23586725 
O       4.59413912       9.38528268       8.85301257      -2.45962094       2.05677053      -1.59054078 
O       3.77756766       1.80984660       9.52738824       2.60470124      -1.51123665      -1.72386357 
O       5.89189747       6.45543054       6.40109495       2.54232053      -1.21027896      -0.01304513 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0023741226657649655 -0.003244356622433122 -0.0019077112350284022 -0.003244356622433122 0.00047082509519040414 0.008222286387765522 -0.0019077112350284022 0.008222286387765522 0.01757945213052506" pbc="T T T" energy=-930.40582516 free_energy=-930.40587291 config_type=crystal 
Hf       0.17306982      10.41252022      10.15248068      -4.41455881      -0.55916580       0.72041875 
Hf       5.39098702       2.82126280       2.49416684       0.43753211      -3.68736282      -1.91045724 
Hf      10.31945111       2.53000646       7.37934597      -0.63728694      -1.70604587       2.66163476 
Hf      10.12119909       0.00781700       5.22698931      -2.30548723      -3.19177072      -2.86582558 
Hf       7.88701172       5.32699573       7.81027040      -2.52413239       0.15619880       2.35678386 
Hf       7.76991388       7.87312035       5.03920370      -2.97016580      -0.17598337      -1.18699453 
Hf       7.80900786       2.70239806      10.23054273      -0.87908957      -0.74054333       0.88845896 
Hf       7.72610645      10.42409134       2.57801418      -0.34076563       1.12683865      -0.65099632 
Hf       2.42687912       2.37231222       4.88389325      -3.05428256       3.08531919       2.54491000 
Hf       4.98348772       1.86382320       7.75101276      -2.81431445       9.60271903       7.52193006 
Hf       4.85911619       0.32040775       5.06760928       0.87710104      -4.63713031      -2.24216463 
Hf       2.45220073       2.40425381      10.36966961       2.28975311       1.14811021      -0.86930876 
Hf       2.03086773      10.09578768       2.60114857       3.00052095      -0.01964846      -0.01337033 
Hf      10.43903268       2.47137596       2.55490586      -2.49291906       1.58322631      -0.90544042 
Hf       2.40999996      10.26166104       7.59365857       0.50192893       0.01343235      -0.85883679 
Hf       7.62487632      10.30580842       7.59094490       3.86526477      -3.24270225       1.86844170 
Hf       2.34924535       4.81609645       7.88357263       3.38733198      -0.69594010      -1.49537837 
Hf       5.28573839       5.17102518       4.94593416      -0.65697281       0.65864033       3.20150109 
Hf      10.43066233       5.03499912       5.21372528      -2.65865342      -0.01717194      -2.37396007 
Hf       2.14192280       7.77465905       5.11835685       3.77008582      -1.77464436      -0.48223624 
Hf       5.16801887       5.20122048      10.15073492       0.36892334       0.38414109      -2.47048996 
Hf       4.85904638       7.75368803       2.21965129      -0.79554174      -1.89211628       1.42566466 
Hf       5.06305219       7.60346970       7.53630212      -1.49709424       0.24170022       2.05113641 
Hf       7.51243511       7.92003028       0.12148799       1.86312847      -1.83016416       0.28678466 
Hf       7.34325055       5.26981867       2.50157126       1.74992401       4.08097512      -1.37996160 
Hf       2.77711773       5.11277041       2.76344081      -1.48442781       2.56047609      -0.08788357 
Hf      10.21912452       7.52143510       2.63153530      -1.74890224      -1.88284095      -1.89180437 
Hf      10.27183293       4.87363250       0.01089950      -0.53682408       3.45255510       1.53498390 
Hf       7.49932598       2.47062532       5.25497991       4.26259015       0.60624788      -3.70599741 
Hf       0.09956705       7.85320265       7.80871941      -2.06041437      -1.74630851       1.38058728 
Hf       5.13687700      10.45920188      10.46424334      -0.10768487       1.44813886       0.47812542 
Hf       2.47453361       7.42304790      10.44904067      -4.46203425      -0.65395477       0.61137213 
O       1.50022647       8.93457231       0.96792726      -1.57796053       3.67879833      -0.06318846 
O       0.75814306       6.46328909       1.28531498      -0.92723057       0.21859639      -1.09773916 
O       3.43553591       1.27493659       6.59595958       0.60855694       0.98051992      -2.22950193 
O       0.93703951       1.03572176       3.86355388       1.96545287      -0.21626145      -2.49022800 
O       3.08192602       4.87119890       0.89296226       2.54640895      -1.47897584      -2.03855693 
O       1.03157934       1.19465979       8.63751738       2.34846702      -2.10324451       1.72341854 
O       4.92667897       5.00396589       2.99511580      -3.82715884      -0.95623587      -1.32969540 
O       6.34872094       4.11783785       1.29330509      -2.36429648      -2.96531083      -3.63055395 
O       3.62687447       1.90333488       3.58679395       3.11388028      -0.34243210      -0.99313985 
O       1.47281528       3.72340047       3.47723335       2.76498350      -2.60815942       3.58522878 
O       1.23360798       1.34985774       1.28268671       2.43357995      -1.78670850      -1.89130155 
O       2.80192346       7.31136412       2.13080853       2.10558148      -0.11250322       1.90493948 
O       4.33453623       1.88593556       0.86418482      -3.35680912       3.09675794      -0.22618123 
O       8.94198626       0.91609089       3.92316517      -1.41305030       1.33320959      -1.94770990 
O       1.17085997       9.14215108       6.11819200      -0.80612039       1.78982718       3.26909386 
O       6.33861299       1.29834048       4.00325493      -0.49286529       2.22466901       0.39224896 
O       7.17495018       9.42708678       9.22785858      -0.85144074      -0.66436988       2.27157357 
O       0.78265155       1.14075080       6.11037102       4.37398669       4.05000435       3.93777663 
O       3.83074872       3.61987185       8.73189749      -2.39255759      -1.98012842       1.35388534 
O       1.77787288       8.82955938       8.69516887      -1.02543655      -1.55816301       2.31017687 
O       0.87634780       3.99803638       1.40801736      -0.25053013      -2.70403954      -1.87414540 
O       3.97947541       9.07737849       6.38226102      -1.64447499      -0.09655557       1.59252868 
O       9.61529564       9.41138706       8.68576217       1.42697679       1.03520232      -0.39271839 
O       1.68933668       6.01734869       9.13382657      -0.81249926       2.28135798       2.92014977 
O       0.79398969       8.70118192       3.91218989       0.33337682       1.47727669      -2.74322481 
O       3.84872829       6.52211259       4.77401793      -1.11032413       1.45073108       0.03475637 
O       4.13712391      10.04248793       1.71361114      -2.32915286      -2.20321391      -0.05236588 
O       3.39646317       9.79039035       4.19424132      -2.86268486      -0.47150653      -1.61840814 
O       0.91961057       3.62136936       9.01795350       0.54389362       0.05983451       0.42742288 
O       8.70906098       3.96205348       1.36740160       1.78651647      -4.22920269      -0.54216435 
O       6.02318433       0.67877609       6.98015913       2.15124003      -4.45151378      -5.12408854 
O       6.43323372       3.90776771       8.90417784      -0.03432364       0.31854742       0.78622876 
O       3.63907702       4.10015415       5.71679460      -0.52369255      -1.56609218      -1.17040296 
O       1.08026967       3.93914035       6.42690376       1.50949154      -1.09763206       0.31666975 
O       8.71738035       4.24975362       9.36157569       1.18783703       0.34265336      -1.69814502 
O       9.07650927       3.70534648       6.40624390      -2.78268148       1.51456401       0.20807455 
O       6.13266298       3.03653558       6.33110820      -2.30531751       1.01434490       1.15284642 
O       6.36715129       1.43007362       9.50366105      -1.58786222      -0.84417107      -2.29201621 
O       6.45321694       1.30538287       1.49279505       1.84252937      -0.19519980       1.07588637 
O       9.11086007       1.59520922       8.99195211      -0.73767825       0.61264318      -0.29822574 
O       6.32352994       8.84617625       1.82922309       4.19467516       2.66460425      -3.88807673 
O       8.83356323       9.12413676       6.18224169       1.28288392       0.78298814       1.52957458 
O       1.53790898       6.76942879       6.82994478       0.87166850      -1.10498109      -2.25216994 
O       9.58795196       6.75769702       9.29218908      -0.45646708       0.33316747      -1.07824792 
O       8.52328174       6.10779707       1.27310961       3.17908117       4.93233144      -1.41624778 
O       9.34037326       6.06626342       6.74123578       1.26373100       2.44403806      -1.03352315 
O       6.49018450       8.55630354       6.79399673       3.87842051       1.83539891      -1.18577831 
O       6.44442219       6.64329904       8.93011968       2.97767405       0.49770906       2.32916073 
O       4.41563609       5.81210860       8.21899812      -3.32380796       0.38202698       0.11920498 
O       6.21292168       6.44934717       1.16318280      -0.96535371       0.98357071       0.15440120 
O       8.99797781       6.37557459       4.15346992       0.88941289       0.56695913      -0.69745135 
O       9.13617362       0.90321024       1.16178117       0.81744028       1.26948707       0.28487249 
O       8.72809240       8.94741811       3.57129948       0.24690691      -1.79687013      -0.13840794 
O       9.18704165       8.98442973       0.82820443      -0.70563760      -1.66250559       0.87817861 
O       6.79411583       3.92347737       3.72894536      -0.03800386      -3.94688951       5.19398231 
O       6.33841393       6.86940036       3.94410583       0.09500930      -1.30172345      -1.31026376 
O       6.12118397       9.43006713       4.20952239       0.57006711       0.03839894       1.35287604 
O       8.89793434       1.37429202       6.24116953      -1.76226681      -2.16922444       2.46250492 
O       1.30682009       6.08587844       3.96872757      -1.27694925       1.80081669       1.36353241 
O       9.58101915       3.63288961       3.88750536      -0.60087318       0.69142648       1.97932478 
O       4.25990008       7.11937822       0.16692040       2.92585429      -0.46776812       0.79875124 
O       4.52594345       9.03127079       9.15095828       0.11617363      -0.18078470      -0.74157699 
O       3.59203637       0.90070066       9.22101442      -0.66816369       0.10717815      -0.73001030 
O       6.27036824       6.04793260       6.56042066       1.62704361      -1.07217987      -1.79179215 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013107458832793373 -0.01441299618919018 -0.020739387142853512 -0.01441299618919018 -0.005973732774368543 0.0053526460370629326 -0.020739387142853512 0.0053526460370629326 0.003513661756710113" pbc="T T T" energy=-935.13468333 free_energy=-935.13494236 config_type=crystal 
Hf       0.06235479      10.34728262      10.23174048      -3.01709509      -0.68775441      -0.86321896 
Hf       5.39706663       2.85514681       2.45804265      -1.54998935      -3.29857689      -0.72015623 
Hf      10.32793857       2.55823976       7.42653597      -0.25679034      -2.07585796       3.62939477 
Hf      10.07903014      10.37826948       5.20423935       1.04601111       0.78978072      -0.10484772 
Hf       7.93109724       5.44218254       7.83913597       1.64849343      -0.27949329       3.06523458 
Hf       7.77908761       7.82966071       4.95408356      -2.58806370       1.75285173      -0.42425542 
Hf       7.67739309       2.64475034      10.35994075       1.10683011       0.28639676      -2.59935054 
Hf       7.64796758       0.03219246       2.59021244      -0.26016106      -3.52092946      -1.53783122 
Hf       2.50659210       2.46153427       4.86105558       3.36178820      -6.50442276       6.31510400 
Hf       4.97549385       2.03587057       7.85920972      -0.10969080       2.10575386      -0.29714494 
Hf       4.81529474       0.34538491       4.92070905      -0.13196282      -4.13231488       0.51180331 
Hf       2.37233640       2.27135379      10.33996905       4.51421024       3.50278071      -5.19936956 
Hf       2.05817718      10.15816728       2.63936757       3.28322613      -0.14946790      -3.86380371 
Hf      10.40016592       2.45513158       2.56081905      -0.09168315      -1.85746369      -3.14217716 
Hf       2.30931648      10.26300155       7.65592325       1.68400109       1.20787278       0.25163239 
Hf       7.62879455      10.24934745       7.59044409       0.32098984      -3.33254471       4.97744548 
Hf       2.26117625       4.83688797       7.87585245       1.63489109       0.29095742       0.53120165 
Hf       5.25253950       5.24105955       5.00946452      -1.43879959      -1.77963006       0.64525646 
Hf       0.01295349       4.85488984       5.06378713       0.28907848       4.22778516       3.05569381 
Hf       2.25466355       7.67930391       5.10246361      -1.08340319       3.35031768      -0.37812641 
Hf       5.14008636       5.31974318      10.21447868      -0.71646029       0.00081095      -0.81052602 
Hf       4.77364607       7.68108860       2.24000564       6.27645349       3.83047317      -0.85687773 
Hf       5.09943281       7.61731700       7.66557927       0.45690667       4.14560389       1.46998795 
Hf       7.67930098       7.88988144       0.00967359       1.27494704       1.95929870       0.91631520 
Hf       7.41329560       5.43061760       2.37828884       0.38515871       0.93305365      -1.21529501 
Hf       2.77029701       5.03107911       2.65154416      -6.66871716       2.54853694      -3.24482698 
Hf      10.32069659       7.55803153       2.61043910      -2.11027988       0.29234772      -0.87540431 
Hf      10.26839395       4.81814678       0.26616447      -0.20394230       3.98369920      -2.28812230 
Hf       7.45079243       2.48068889       5.19235362       2.17301732       0.47342419       3.63407264 
Hf       0.13275370       7.76276055       7.74226155      -2.59260892      -1.46192222       3.03284578 
Hf       5.09181970      10.40529990      10.32449707       1.28737702       0.65985795       1.85735991 
Hf       2.45769716       7.44938316      10.46083890      -2.53001480       1.62231531       1.03814721 
O       1.36006301       9.22846133       0.90741891       0.12323745      -0.92559143       0.99780551 
O       0.95469369       6.50312826       1.43161352       0.13284932      -1.36012325      -2.07458709 
O       3.66437916       1.27021372       6.24730995      -0.89896130       1.16959691       1.96178244 
O       1.40534566       1.29184191       3.50023440      -2.77773543       1.26355287       2.50454154 
O       3.41689592       4.49230561       0.79251898       0.06747212       0.73098499       0.25316920 
O       1.31096010       1.21122287       8.79011500      -1.10090329      -0.77214597       1.46227996 
O       4.54900457       5.15102908       3.02693514       4.15089035      -2.44362986       0.30971664 
O       6.05707085       3.94448523       0.92334470       2.65841654       0.18700083       4.26620335 
O       3.96017218       1.65857264       3.59344784      -1.47069607       2.22806321      -0.72224051 
O       1.79763715       3.76600575       4.00449968      -2.98940895       7.34001591      -5.50445040 
O       1.38840820       1.39610023       1.08946077      -2.23119304      -2.99143853       2.55717080 
O       3.04444102       7.22417701       2.13200848      -4.15470627      -2.19853827       0.53496529 
O       4.21648680       2.01665295       0.56721738       0.37526198      -0.46152278       2.31762343 
O       8.77466532       1.03714819       3.94757674       1.90877872       0.46960234       0.92229471 
O       1.21321385       9.08236102       6.55131098      -2.39687955      -0.87640043      -3.36494281 
O       6.17732780       1.56078945       4.10913060       0.79116326      -0.61476860      -1.39909668 
O       7.03680472       9.73056995       9.79854917      -0.57483378       0.29842269      -2.26536712 
O       1.05758544       1.08024821       6.38344486      -1.94876804       0.95746753      -2.11815573 
O       3.47969102       3.33715070       8.54042548       0.31178418       0.74704290      -0.74134004 
O       1.36462785       8.79134132       8.97317438       2.26793760       0.13692595       0.55967543 
O       1.03665293       3.90515336       1.68877600       0.10059694      -0.42074463      -1.14949993 
O       3.85010261       9.13718968       6.84893015       0.22208684      -2.28317511      -0.79827380 
O       9.36872097       9.44670839       8.69683258       0.95524672      -0.74780360      -1.19916017 
O       1.52746538       6.06808621       9.42123000       1.20912500      -0.35808165      -0.97396649 
O       0.95979617       8.93237473       3.70019617      -3.31826316      -1.27412352       0.93514488 
O       3.90628434       6.90223670       4.63827760       2.40226506      -1.11841507       0.96336823 
O       3.86558516       9.73954346       1.71480659       1.80016000      -0.83973703      -0.95849709 
O       2.99540697       9.62315649       4.25884477       3.23815585      -0.03196421       2.08309231 
O       0.96967637       3.75781511       8.95802791      -1.26552165      -0.93553876       0.66574444 
O       8.97852125       3.56249018       1.47664654      -1.38995303       0.35719614      -0.76500097 
O       5.98597626       0.48926052       6.81677118      -1.17698776       2.05314175      -1.21798770 
O       6.38765949       4.06684861       9.19680589       0.64253629       0.79998677      -2.24278853 
O       3.65250547       4.19699612       5.69219055       1.26919406       0.67621046      -0.66771618 
O       1.26383007       3.77103288       6.30422127      -1.19642481      -0.47658579       1.69290081 
O       8.87951958       4.36708674       9.29877378      -0.71970872      -2.36780118       0.92007463 
O       9.01758854       3.64981461       6.37964301      -0.47358438      -0.02598035       0.20972408 
O       6.07634666       3.28046052       6.37092446      -0.01779001      -1.51695595       0.54750525 
O       6.32086420       1.57372745       9.29179806      -0.66524881      -0.91261620      -0.32796111 
O       6.57776619       1.44679913       1.65426099       0.81752394       0.93717305      -1.20455807 
O       9.22073497       1.62098412       9.22584792      -0.68273830       1.72420368      -0.39057896 
O       6.68904869       8.98983940       1.53492318      -1.88318375       0.45650525       1.58531744 
O       8.88408347       9.19535862       6.06220662       0.96872012      -2.07947910       0.37060257 
O       1.52506349       6.59991926       6.59435689       1.19406225      -1.25787626       1.20827431 
O       9.61507135       6.64764220       9.34996930      -0.72149984       1.51909726      -1.32886540 
O       8.85311074       6.25010829       1.19329793      -1.11257799      -1.12521580       2.63532665 
O       9.58056931       6.02265485       6.80886020      -0.52475470       1.20414349      -0.92772153 
O       6.75680718       8.61397565       6.80618294      -0.78052642      -2.80456340      -0.32833383 
O       6.87910263       6.93909981       8.94093357      -1.53895199      -2.03553444      -3.00903799 
O       4.14682325       6.10870240       8.59677142      -1.32637057      -1.14115381      -3.10952956 
O       6.21315235       6.62770252       0.97208946       2.29397290      -3.10353555       2.53963769 
O       8.97608294       6.42731310       4.18859407       0.33574567      -1.87649740      -1.41256622 
O       9.42780978       0.85090426       1.15745915      -1.39320423       1.31578667       3.25033137 
O       8.81498761       8.80285927       3.51162016      -0.49488961       1.28749147       0.50972613 
O       9.12405470       8.84366625       0.86009044       3.32652580       0.38581085       1.32579752 
O       6.76918796       3.87972709       3.99107856      -0.55778855       3.25574515      -3.30625468 
O       6.34509576       6.75654856       3.50472387       1.25143060      -0.28092262       1.39560608 
O       6.18689600       9.49019472       4.26955337       1.52617561      -1.10108405      -0.79773903 
O       8.68702879       1.01958748       6.63122387       2.91262142       3.60084427      -2.80132139 
O       1.06795943       6.35219069       3.97450512       0.60221360      -0.41409599       0.20257450 
O       9.74637904       3.55406290       4.01712548      -2.25751717      -1.66337405      -1.23256895 
O       4.41558763       7.31810938       0.04798365      -1.73313734      -1.24059124       3.27504782 
O       4.62200140       8.95364801       9.18769359       0.12572705      -0.54319129      -2.25123215 
O       3.63468027       0.77625744       9.05694606       0.92453242      -0.01845067      -0.55078580 
O       6.61169363       5.73092868       6.33811773      -0.47844788       2.64961612      -0.36395183 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015655503946547165 -0.011512651839089925 -0.021183487868555475 -0.011512651839089925 -0.00151909124649736 0.0043603218017947 -0.021183487868555475 0.0043603218017947 -0.0006562075656022455" pbc="T T T" energy=-934.95179131 free_energy=-934.9518066 config_type=crystal 
Hf      10.46465383      10.31795643      10.25699887      -2.17584142       0.56978673       0.98313906 
Hf       5.39207289       2.84735629       2.43630738      -1.31533850      -1.55177731       1.60829880 
Hf      10.33620666       2.55140994       7.47068805      -1.81411219      -1.00837734       2.60141051 
Hf      10.06747399      10.34238601       5.19267671       0.54212794       1.07063329      -0.77737308 
Hf       7.95127272       5.48517937       7.87039087       2.54350800      -2.09679845       0.76903429 
Hf       7.76571087       7.82030121       4.91694603      -1.70231256       0.83619821      -0.38174444 
Hf       7.63409641       2.62612689      10.39720283       1.35388274       0.61844301      -2.11273871 
Hf       7.61495415       0.04303346       2.58536240       1.66874047      -2.18778004       0.49922496 
Hf       2.54280254       2.47889885       4.88500895       0.99519077      -1.90778175       2.93494086 
Hf       4.96709347       2.12496588       7.90949081      -1.36286060       2.24460776      -4.70709575 
Hf       4.79311498       0.32694881       4.86581289       1.90590859      -3.08748177       0.67188283 
Hf       2.36827834       2.23929519      10.29957464       1.31626425       2.51975295      -0.54872242 
Hf       2.08979264      10.17843780       2.63689765       1.55766186       1.29391149      -2.93806234 
Hf      10.38454428       2.44592687       2.54770920       0.33470079      -5.33838188      -3.31106621 
Hf       2.27915436      10.26971562       7.67802379       1.11816907       0.11487511      -0.46968706 
Hf       7.64283506      10.20589064       7.61783267      -1.32628092      -1.57612280       2.35582807 
Hf       2.24080724       4.84201390       7.86786150       1.22013850       0.37432172       1.37302413 
Hf       5.23119086       5.26131091       5.04240259       0.63340510      -1.71756574      -1.40555963 
Hf       0.03326054       4.81169928       5.02139107      -1.67632304       2.04095769       1.02496529 
Hf       2.29852405       7.65555422       5.09378755      -1.62848556       2.90307478       0.09062724 
Hf       5.12749562       5.36721274      10.22998101      -0.59164564      -1.93057554      -0.36410322 
Hf       4.77003878       7.67036211       2.24567235       3.43473791       1.99861509      -0.63692867 
Hf       5.11308398       7.64206967       7.72466348      -0.13683065       2.23314433      -0.48665150 
Hf       7.75061065       7.88371769      10.43596189       2.17283076       2.58104777       2.09946759 
Hf       7.44323196       5.50051675       2.32104124       0.82077576      -2.98604274       1.36277885 
Hf       2.73142952       5.01883847       2.60505120      -3.01773138       2.53443469      -4.46104420 
Hf      10.34780048       7.57066465       2.59734034      -2.40644116       0.06430235      -1.30450128 
Hf      10.26547430       4.82141726       0.35436240      -0.07994979       2.34480353      -2.44457902 
Hf       7.45029822       2.48543259       5.17937239       2.06841803       2.16144770       3.67749356 
Hf       0.12908101       7.71913670       7.73384778      -2.05540531      -1.31001824       2.69625374 
Hf       5.08207368      10.38916981      10.28267853      -0.54271255       0.55036901       0.93502528 
Hf       2.42862090       7.46563905       0.00444573      -0.44407978       3.55449239       2.58593550 
O       1.28061911       9.36230592       0.93332359       1.62331009      -2.83020835       2.16433759 
O       1.01885568       6.43739780       1.33856774      -1.15308900      -1.01993259       0.15174825 
O       3.71894365       1.34769134       6.19622045      -1.89197216       0.84972688       0.62438653 
O       1.40903248       1.44898657       3.47691602       0.45192391      -0.86595545       3.41939521 
O       3.63818362       4.33320534       0.59311317      -2.16948468       2.43518841       1.45523729 
O       1.43441689       1.11781863       8.97755438      -3.47537394      -1.26764233      -0.83419480 
O       4.58634808       5.03341014       2.99502349       0.91101311      -1.59209017       0.26414175 
O       6.07780984       3.85750180       1.01697062       3.51418025       2.98276307      -0.38029881 
O       4.12378443       1.66149512       3.51691993      -5.20805641       0.87898934       0.10913623 
O       1.84068934       4.02408142       4.02525562      -1.56910352       1.44344002      -0.64542111 
O       1.33355359       1.21920596       1.15288605       1.06197732       0.35015309      -0.90436067 
O       2.98034601       7.08724531       2.18930485      -0.60616340      -0.64421479       0.92531625 
O       4.11771079       2.11522143       0.59053754       2.08770904      -2.99803548       1.89748732 
O       8.79934137       1.14698667       3.97291939       0.97729937      -1.87076327       1.13224889 
O       1.08151347       9.04489716       6.56734489      -0.31161367       0.23091658      -2.57282383 
O       6.19365550       1.72159058       4.06237410      -0.23151526      -3.37754494      -1.33931172 
O       6.91734393       9.89130639       9.89557398       2.29339796      -1.45031587      -3.61671742 
O       1.11724498       1.15109089       6.40463106      -1.91701545      -0.01507754      -1.23231313 
O       3.33919830       3.23648030       8.45264075       0.45856078       1.17164544      -0.34612959 
O       1.32562712       8.77251472       9.16290503       1.70027283       0.34186592      -2.01672350 
O       1.07200263       3.78575934       1.70869685       1.34376717       1.80970399      -2.49847118 
O       3.77997279       9.04548295       7.01127179      -0.66242199      -1.68972910      -2.37533963 
O       9.36696401       9.42573737       8.61327557      -0.11661673      -0.44080578       0.03346403 
O       1.50553095       6.18363631       9.59520943      -0.67380691      -4.25553496      -4.45885105 
O       0.86826967       8.99471257       3.62503870      -1.65559822       0.11483846       1.48473612 
O       4.01890578       7.02586074       4.65941461       2.31220632      -1.44318495       0.43944379 
O       3.82265197       9.55002193       1.65978097       1.92672979      -0.14027208      -0.43079281 
O       2.97503022       9.54734718       4.36674962       2.52331301       1.01359835       0.58882870 
O       0.91612585       3.73077453       8.99204682      -0.50584129      -0.07743771       0.37219237 
O       9.02478991       3.34440157       1.50096727      -2.93071889       3.78444484      -3.41297568 
O       5.89546822       0.48557391       6.60000948       1.65776033       0.87571957       0.96269948 
O       6.39478729       4.18404368       9.20474481       0.51275093       0.31348517      -1.83079738 
O       3.72953105       4.24414248       5.62250293      -0.83577786      -0.51442013       0.35773606 
O       1.32951825       3.65130928       6.36538700      -1.99430160       0.39624390       0.47988540 
O       8.90048987       4.25174513       9.30761312      -0.73529365      -0.04436140       0.99831138 
O       8.81689737       3.72590869       6.30764037       2.47386106      -0.18400511       1.58666668 
O       5.99809685       3.31462974       6.45802804       0.63911261      -1.58669800       0.05298323 
O       6.21115959       1.52999161       9.14176079       2.46435525      -0.58723532       2.88680079 
O       6.71331279       1.55268756       1.69481155       0.25196387       0.00820384      -2.40067949 
O       9.20717538       1.74218010       9.29868063      -0.24733820      -0.09015177      -0.62721591 
O       6.77099673       9.10531351       1.45036518      -2.03478725      -1.24239877       1.92871148 
O       8.96444254       9.12328366       6.07173777       0.70379799      -1.60181334       0.08960819 
O       1.60328578       6.44405985       6.52463494       1.12401308      -0.43768535       1.76208108 
O       9.59550960       6.70961896       9.28207224      -1.66828662       0.62466944      -0.41336591 
O       8.95023980       6.30858913       1.30709734      -0.60896332      -1.14357086       0.47574022 
O       9.68009377       6.11695458       6.75069010      -1.18993995       0.04537824      -0.40560072 
O       6.92145097       8.54790651       6.76528930      -2.33664742      -2.01214451       0.57231590 
O       7.01834768       6.95187360       8.82546490      -2.54038794      -0.12141785      -0.56702218 
O       3.91909329       6.13687960       8.58377533       0.74509189      -0.45800845      -1.78662803 
O       6.29664615       6.51223030       1.05242581       2.02401319      -0.45787593      -0.42936767 
O       8.99152236       6.35540339       4.11467632       0.05875341      -1.25579473      -1.09059201 
O       9.47991074       0.92681435       1.35140778      -2.07356746      -1.22777325       0.97948820 
O       8.81789083       8.80143681       3.50699294      -0.25838977       1.11526737       0.52937423 
O       9.29010683       8.79394709       0.97581019       0.46460178      -0.22843123      -1.10647944 
O       6.73413488       3.98836279       3.95577512       0.00597982       1.69843049      -1.80783959 
O       6.43372699       6.68546736       3.39773628      -0.64540537       2.27943296       2.84817025 
O       6.30835134       9.43966338       4.27069377       0.23528731      -0.08303849      -1.02694707 
O       8.69327680       1.00549474       6.67469586       2.65833563       3.05790418      -2.13431501 
O       0.99126427       6.47650309       4.01182361       0.97100728      -1.03233708       0.05971995 
O       9.62961078       3.36288059       3.94816222      -0.65577989       3.96514590       4.00754898 
O       4.47838609       7.29478399       0.19609493      -1.77010037      -0.06925338       1.55961524 
O       4.65837312       8.89390056       9.05374612       0.98761328       0.29660188       1.80502239 
O       3.67422953       0.73417442       8.93011905       1.63509620      -0.42687211       0.52464258 
O       6.71741209       5.74298856       6.19845634       0.47749119       2.78159271       1.25090244 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01101435743157238 -0.004335429989317693 -0.0053182880834607175 -0.004335429989317693 -0.019877742270448192 0.003735616711852596 -0.0053182880834607175 0.003735616711852596 0.0023749136022844157" pbc="T T T" energy=-929.54300188 free_energy=-929.54304491 config_type=crystal 
Hf      10.27006728      10.24875339      10.34587899      -0.47422762       1.24956277       0.76692234 
Hf       5.36644420       2.81516038       2.39657183       0.59666249      -0.28236425      -0.87612969 
Hf      10.32257202       2.51968752       7.62155424      -3.10614488      -0.79291450       0.00888561 
Hf      10.04254036      10.26128646       5.15147055       0.63302515      -0.22291866       1.59884911 
Hf       8.04686293       5.55395664       7.95262987       0.43005260      -2.36773902      -1.01327887 
Hf       7.70883848       7.79782127       4.81594144       0.31776237       0.43263988       2.55952828 
Hf       7.54069604       2.59582169      10.45555640       2.34410052       3.12955821      -7.12542931 
Hf       7.55730705       0.04753759       2.59389800       0.58205859      -1.49732998       2.90254526 
Hf       2.64808989       2.51780433       4.99291306      -2.39196352       3.44217976       1.33284132 
Hf       4.92796307       2.39507788       7.96968946       1.21162042      -1.72107683      -1.82973321 
Hf       4.76639069       0.24123251       4.72886329       4.01050842       1.22352935       1.68267776 
Hf       2.37863014       2.19830087      10.19123974      -0.04044593       1.92020189       0.78640867 
Hf       2.19010102      10.24930768       2.59934252      -0.06346271       1.29903709       1.69231739 
Hf      10.33781657       2.35839647       2.48356583      -1.27778290      -1.98470024       1.50095928 
Hf       2.21277049      10.28317735       7.71851071       0.03632380      -1.58118679      -3.23490124 
Hf       7.66915368      10.07574878       7.70565299       0.25083834       0.81741324      -3.25141917 
Hf       2.19659477       4.85937398       7.87166942      -0.23859694      -1.12456911       1.53420947 
Hf       5.20749517       5.29936162       5.10019601       3.36790028      -0.59029989      -1.63399067 
Hf       0.04857604       4.73831050       4.93061677      -4.94818294       4.59981040       4.56391211 
Hf       2.39838457       7.62496507       5.07939381       0.38052306       1.01175841       2.88758375 
Hf       5.10016618       5.45995855      10.25865557       3.31898039      -1.83159721      -3.31132853 
Hf       4.81251523       7.66283901       2.27749264       3.39695624       0.92883424       3.85805821 
Hf       5.15078376       7.71114669       7.84324448      -1.04517341      -0.77127913      -3.67896369 
Hf       7.96986362       7.89870916      10.35628261      -2.04457106       1.32902715      -0.04123295 
Hf       7.54728609       5.60764144       2.23022330      -1.42484527      -3.00215391       4.80329051 
Hf       2.60186498       5.00959535       2.41076065       0.13112478      -1.97824823      -1.01799505 
Hf      10.38521370       7.60089166       2.55465551      -0.56852254       1.13070147       2.90545142 
Hf      10.25335077       4.85260496       0.54004524      -1.28700815      -2.70964225      -6.85629332 
Hf       7.48370643       2.53326239       5.19308562       2.67330015       0.82092637       1.83976842 
Hf       0.09484502       7.58700406       7.74047236       0.10514433       1.49636593      -1.17536929 
Hf       5.05169898      10.36141722      10.19065447       3.81615821       5.79400495       5.16006794 
Hf       2.33709021       7.54417030       0.06530145      -1.73461113      -0.83393933       0.29444243 
O       1.36486438       9.13437375       1.27333077       0.67986816      -3.29770876      -1.15797450 
O       1.02120304       6.17949347       1.21881222       2.63673669       2.62858600       1.61333109 
O       3.65003890       1.55393084       6.17113255       2.37972939      -3.48386524       2.19275016 
O       1.42158051       1.65235562       3.80838612      -3.97995783      -1.61364517      -3.04929763 
O       3.78338582       4.26997045       0.29369654      -2.91208117      -0.87444469       1.45534390 
O       1.23991397       0.66592642       9.27463433       1.28258631       2.57987639      -1.68968495 
O       4.57709753       4.56054597       2.92000271      -3.20582662       1.53291495       0.13309452 
O       6.61854753       4.11637676       1.10906281      -2.64367771      -0.43597891      -0.19612383 
O       3.73525595       1.69913022       3.41592664       1.68496510      -0.78315299       0.35508625 
O       1.71569957       4.66795848       4.12442412       3.20573724      -3.53997819      -3.04525073 
O       1.35552278       1.00139628       1.18066837      -0.32163378       1.99336683       0.03031255 
O       2.88348447       6.87473498       2.49062497       1.78353691       2.79806212       0.82855812 
O       4.12988193       1.83448780       0.87257923      -0.23720972      -0.94948443      -1.29130962 
O       8.92279323       1.07751968       4.19094258      -2.37372045       0.82406566      -1.21883197 
O       0.89451189       9.00223986       6.31659755       3.75406224      -0.76912219       1.78589121 
O       6.24060122       1.59954066       3.77772047      -0.03271065      -0.55332060       0.29389029 
O       7.10437482       9.92897749       9.58093510       1.04012546      -3.13299468       0.92038314 
O       1.02498752       1.19224859       6.35306922       0.48516144      -2.14111394       1.70466016 
O       3.09640727       3.07100842       8.26707701       0.90596404      -0.52231306       1.91468075 
O       1.45118186       8.80841515       9.26895066       0.33509708      -0.89695388      -1.46071105 
O       1.32093000       3.67361548       1.38598371      -0.95494478      -1.06823752       0.49393191 
O       3.41246390       8.61092381       7.05927596       0.41100507       0.79913029       0.28527921 
O       9.35003325       9.34737442       8.52305138       1.42718418       0.28228913       2.12190455 
O       1.36437289       5.94571185       9.34890175      -0.78419684       2.49274665       0.30127771 
O       0.60812861       9.33092302       3.65969480       3.33339670       0.66304839      -1.03078226 
O       4.49623441       7.15206887       4.78857380      -2.50381492      -0.90860627       0.25584767 
O       3.92259549       9.19502224       1.49094044      -0.99654273       3.75564562       0.65694604 
O       3.24079823       9.53266572       4.60994664      -1.29042795      -0.48365767      -2.48382291 
O       0.77836596       3.61158063       9.16426951       1.67591645      -1.33892512       0.63929716 
O       8.91189175       3.41425770       1.19373437       4.36091266       1.07043435       4.29619659 
O       5.98746330       0.57621612       6.27744601       1.20962347      -0.11910022       1.36132450 
O       6.40718209       4.53529877       8.95930918      -1.74499058      -0.49705466      -0.35537112 
O       3.66515973       4.18298701       5.54248705       1.16967380       0.85106407       0.52644988 
O       1.20200476       3.50592121       6.49903608      -0.70586029       2.33650383      -1.27950432 
O       8.83528031       4.15269940       9.45517816      -0.24277008       3.55269888      -1.21234231 
O       8.69380188       3.90735241       6.42714051       0.74497481      -0.55328273       1.64229150 
O       5.94488271       3.19624676       6.61424027       1.83561639       1.04256242      -2.85608784 
O       6.27236917       1.40812789       9.18454170      -1.33353268       2.56637566      -0.05028679 
O       7.03196682       1.69932342       1.50013991      -2.85424740      -2.61135467       2.45737554 
O       9.19201299       1.83214724       9.39870977       0.39992717      -3.16627922       0.62351532 
O       6.67036935       9.14066090       1.43186962      -0.58310785      -0.44035658      -0.54698045 
O       9.17980668       8.75253872       6.10168062      -2.14486605       0.93684559      -0.41251275 
O       1.94990351       6.11957165       6.49626076      -0.86228914       3.31373496      -2.13075773 
O       9.22633847       6.93268476       9.13861863       0.74899939      -1.43357415       0.11003407 
O       9.18780966       6.32790911       1.47792216      -1.23200230       0.07263120      -2.96357034 
O       9.75503228       6.31117972       6.55972078      -0.21483541      -1.62112007       0.80376642 
O       6.93378288       8.29065223       6.81352456      -2.01228377       3.87533036      -0.15831890 
O       6.90577679       7.11633894       8.68680701      -1.25109191      -0.94329876       2.96275672 
O       3.64367074       6.21753706       8.38442373       4.16726279       0.42213108       1.51362185 
O       6.53988995       6.49705117       0.78567817       1.48084556       2.52400227       0.55097126 
O       9.04411230       6.04745105       3.78303614      -0.04778199       1.09877998       0.36388883 
O       9.30553871       0.76995165       1.86591571       1.91672921      -0.43624331      -2.72006414 
O       8.80234412       8.94340035       3.51491984       0.50632027      -1.15891362      -1.14365081 
O       9.62666612       8.67108856       0.94141669      -2.38672584       0.14563063      -2.03320172 
O       6.70065769       4.32623789       3.74279528       0.38973693      -2.44204452       2.00163246 
O       6.49410828       6.91849092       3.51456200      -0.81726898      -1.47043289      -3.39961030 
O       6.53653082       9.39261425       4.11214873      -2.67740229       1.64045054       0.32563372 
O       8.96348163       1.24670402       6.60240247      -1.89120160      -1.16817901       1.22195673 
O       0.93841906       6.73488353       4.14075558      -0.92947001       1.55846904      -0.48981540 
O       9.36571424       3.42762608       4.16258158       1.06243736      -1.36510174      -2.96639033 
O       4.33724540       7.15457888       0.54659164      -2.22894012      -1.63394784      -3.65371803 
O       4.85720737       8.91952338       9.26090927      -1.50922777      -5.92305751      -2.18641251 
O       3.91532274       0.56718735       8.69331678      -2.12466250       1.21882894       0.17791574 
O       6.99293522       6.12300446       6.04441879      -2.05990359      -2.12391784       0.56056568 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0473902831774488 0.01412928187573763 0.0021146829856425278 0.01412928187573763 -0.03619878227972206 -0.005627296568276077 0.0021146829856425278 -0.005627296568276077 -0.03460719140459948" pbc="T T T" energy=-928.31005577 free_energy=-928.31108071 config_type=crystal 
Hf       0.10778930       0.09931503       0.08091022      -0.79371048      -3.00696487      -1.46346859 
Hf       5.13759540       2.32663846       2.66540748       0.35042042       1.21299852      -0.20573589 
Hf      10.44172081       2.68060796       7.65126757       1.89103530       4.43308386      -2.08971182 
Hf      10.43674560      10.29738072       4.80581592      -2.26321560       1.45081429       0.51449977 
Hf       7.73072581       5.12876999       7.89730920       1.40864219       1.14660417      -0.36489481 
Hf       7.52382233       7.84895986       5.15014092       2.66830110      -3.19599867       0.36320709 
Hf       7.99319917       2.16485476       9.91289659       1.58680346       1.52744461       0.91204480 
Hf       7.27450991       0.06470728       2.99482798       2.94138775      -2.87718022      -2.13650321 
Hf       2.37440661       2.39046124       5.12314514       0.81479637       3.36268216       0.19323360 
Hf       5.62609294       2.59661974       7.50096290      -3.36439973      -2.26901364       4.03717498 
Hf       4.14050607      10.07880460       5.53740550       3.38199855      -0.46395106      -6.61108776 
Hf       2.49655952       2.62128836       9.89453333       2.91004355       1.54000208       1.98952121 
Hf       2.42545372      10.34527457       2.46254395       3.22657447      -0.43471517      -1.75840362 
Hf      10.33274339       2.84031380       2.52780133       0.94281426      -4.28914759      -1.32125205 
Hf       2.11896121      10.31450855       7.85850252       2.04287266      -4.19847549       1.95389061 
Hf       7.03250269      10.03567004       7.43831285       0.16323501      -0.96306906       0.14613267 
Hf       2.33901558       5.64059794       7.52536065      -0.31011451      -1.99347053       2.30224039 
Hf       4.96049390       4.81898355       5.21876361      -1.36370412      -0.20241099      -1.18661742 
Hf       0.08055552       5.03955851       4.92445459       0.56334048       3.76912051       0.12564538 
Hf       2.16599903       7.79619587       5.03902379       1.30066219      -6.89584163      -0.87094366 
Hf       5.39125506       5.05891993       0.36255817       1.30063215      -2.31447929      -3.12840340 
Hf       5.03759097       7.63787346       2.70641541       0.16014928       1.77799656      -3.16800753 
Hf       5.06438904       7.32989924       7.92654004      -1.75551722       5.18582807      -1.41758269 
Hf       7.87819520       7.90368249      10.26492723      -0.56224665       1.19958401       1.03787570 
Hf       8.07410530       4.71491163       1.95001989      -2.03977654       4.91759190      -1.61763825 
Hf       2.95439496       5.38231452       2.35421355       0.35410723      -2.89366689       1.63086667 
Hf      10.05102060       7.87408198       2.41425416      -2.21291651       1.51167274       1.73518086 
Hf       0.47743947       5.23037062       0.10689779      -4.24269383      -0.37848801      -1.31958889 
Hf       7.96374738       2.85309837       5.32644082      -1.25985340       0.16288912      -2.82030497 
Hf      10.00231196       8.20948989       8.04910783       2.39357752      -1.90532249      -2.07830826 
Hf       4.93143167      10.20755487      10.27047463       0.85938955       0.48903454       0.97971045 
Hf       2.40370350       7.70863784      10.31795507       2.50089028      -0.69925339      -1.12875442 
O       0.69966568       9.32959601       1.63901069       2.32565659      -0.43023861       0.12589592 
O       1.51480316       6.44110786       1.20243817       1.19263566       1.54867165       0.37755987 
O       2.72911304       0.64513646       6.24416035      -2.05793453       2.94915390      -0.50845010 
O       0.94456262       0.97945567       3.22462879      -0.88838902       1.01991759       2.13205685 
O       3.84169375       3.66786252       1.55955643       1.32015534      -0.90786437       0.54532207 
O       1.02861950       1.09396061       8.74536686       3.51947100       1.09352122       1.01315901 
O       3.42976966       3.93587699       4.28360927      -1.49105561       0.27457409      -2.47264658 
O       6.36961953       3.92805529       1.58840222       0.97531557      -3.32949440      -0.44305404 
O       3.75055356       1.50252485       4.00127117      -1.72853285      -1.50233193      -0.01379366 
O       0.77475062       3.31773202       4.21978073      -0.13369425      -0.28049826      -2.54688778 
O       1.64018950       1.11021169       0.85008999       2.31000016       0.11183424      -0.46539164 
O       3.97262309       6.40900269       3.83950988      -4.54676379       2.28867375       3.36378743 
O       4.57764774       0.62898136       1.72038623      -2.16629669       0.31902860      -1.72327899 
O       8.91654669       1.48620228       3.92237748      -0.83136136       0.14537882       1.06168828 
O       0.79745212       9.39965727       6.73163618      -0.95826216      -0.03230459      -0.93837529 
O       5.98036376       0.54176976       4.20141872      -0.71681064       0.38456590       1.89006412 
O       6.55942051       8.75473359       8.96927886      -1.75143801       0.09164235      -1.36585848 
O       0.28586772       1.50456596       5.99200835      -0.02932110      -0.07534053      -0.14622650 
O       3.72058506       4.14340196       9.40716070       0.46973828      -0.20325423       0.47439892 
O       0.95116564       8.79371244       9.47988059       1.63528464       1.55919125      -0.53498382 
O       1.41325486       3.78014161       1.13595603      -0.67808467      -0.39776203       1.32570243 
O       3.26031246       8.49217860       6.38462325       1.23034658       0.97168686       2.10243602 
O       9.16380596       9.44192565       9.14773783      -2.47940571       1.76984324      -0.42217570 
O       1.07374012       6.37696565       9.10258225       1.86956644      -0.29402692      -1.56440217 
O       1.67623634       9.22635616       4.02580248      -4.79022042       3.09503815      -0.77892646 
O       4.23289540       6.00195909       6.76066167      -1.75636731      -1.21768512      -2.51199475 
O       3.46642627       8.60543011       1.40927791      -1.38183323       0.66786062      -1.12162245 
O       3.92132322       9.16610454       3.75238295       0.66736031      -1.13726273       0.17806556 
O       1.32947376       3.76781850       8.78655126      -1.36195041       0.26590234      -0.31248040 
O       9.32666202       3.68399073       0.78762164      -1.02550998       0.37582687       0.53241019 
O       4.98812467      10.45791684       7.08812385       3.75405078       2.95708377       4.47928006 
O       6.75595837       3.98535574       9.21506773      -1.20280725      -4.59114413       2.13428082 
O       3.97828583       3.28416388       6.54515173       1.12523030      -1.74842104       0.38815453 
O       1.42434851       4.27439315       6.23012256       0.89245120      -0.68923433       1.13204799 
O       9.02568927       3.83790436       8.64016617       0.30586869      -0.01964687       0.91412065 
O       9.33105950       4.15887603       6.30031497      -2.38002097      -1.56307025      -0.82709011 
O       6.59000431       3.97248902       6.63072526       0.98932820       0.12441069      -0.09437432 
O       6.62603557       0.95339808       8.99262404       0.15401777       0.69134053       1.69394721 
O       7.05178478       1.47405008       1.75736101      -1.48290265       1.97413003      -1.26068391 
O       9.51329247       1.58695024       8.72090840      -6.44045790      -3.69816194       3.77744159 
O       6.11762065       9.18893499       0.96493194       0.30385287      -0.41503173       0.49992068 
O       8.65669921       9.30201150       6.32101492      -0.86398991       0.71797245       0.46278986 
O       1.08402756       6.84135335       6.41703267       0.22308357      -1.15056337       0.47253542 
O       8.65328806       6.92045155       7.63737600      -2.80706372      -0.95671504      -2.85958338 
O       9.28542697       6.59025477       9.72570337       0.15126927      -0.18323036       2.38864980 
O       9.46837531       7.06548493       4.65453558       0.06702340      -1.06315190      -0.96547731 
O       5.96601575       8.45346936       6.34097291       1.40296110       0.17813722      -0.43202345 
O       5.94757703       5.97636295       8.68943413       3.61198780      -1.50852016       2.12934600 
O       3.54281707       6.63169956       8.87372130      -2.64668615       1.70721978       1.46252776 
O       7.07282917       6.51002737       0.92570347      -0.04845291      -2.25323157      -0.36420977 
O       9.84541315       6.01588458       2.05397019      -2.09761728      -1.33269505      -1.61089736 
O       9.36576207       1.14399229       0.98496173      -1.53403789       3.27348928       0.81074070 
O       8.86864467       9.29714472       3.73721376       2.17935838       0.68867564       0.08241839 
O       8.81053612       9.12727076       1.02736177       0.89885373      -2.45614926       2.02533676 
O       6.18313550       3.49524307       4.22466227       1.85949716      -3.26961501      -0.03487513 
O       5.60957675       5.79675532       2.76481189       1.25229900      -1.77349705      -1.68560051 
O       6.72335365       8.19072472       3.45236817       0.24036410       1.66622369       0.06606093 
O       7.27540352       1.50238502       6.70476159       0.33400588       1.32456877      -1.50321429 
O       1.41857378       6.01452512       3.70577445       0.29988520       0.93685164       0.65206676 
O       8.96376736       4.08242420       3.49366079       0.88183944      -1.04528669       2.80603032 
O       3.99157298       6.14220366       0.73280648      -3.78612901       4.22058731       2.19689389 
O       3.57968426       9.10485247       9.15206267       0.20583869       1.59583037       0.01814596 
O       4.11422868       1.62317459       9.20179083      -0.63217148      -1.65802245       0.03377563 
O       6.53335297       5.81375107       5.22837639       4.41863654       5.48174265       0.54404344 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.031042583204819164 0.010537112463649802 0.0024540046577616373 0.010537112463649802 -0.04270682750060011 -0.00459183437362014 0.0024540046577616373 -0.00459183437362014 -0.0408279298179608" pbc="T T T" energy=-928.67296527 free_energy=-928.67331148 config_type=crystal 
Hf       0.10581946      10.45153204       0.07867662       1.42173885       1.01729612      -1.14685045 
Hf       4.91896810       2.38251457       2.57389605       1.35983025      -4.25259362      -0.43366383 
Hf      10.33410442       2.70188836       7.55146388       0.14725923      -0.67876546       1.87815089 
Hf       0.03387155      10.34780614       4.72789370       0.92824402       2.85431957       3.62092634 
Hf       7.70549191       5.08541993       8.01858127      -0.82464791       0.27271184      -3.01753400 
Hf       7.65371457       7.98024055       4.99134323      -0.08468126      -3.09380606       0.57163745 
Hf       7.92822133       2.16919217       9.95558215       0.24824142       1.20646981       1.09869041 
Hf       7.20800789       0.02410439       3.14674488       2.25976907       1.55665661       1.36538584 
Hf       2.32599311       2.70625706       5.15204556       2.21265211      -2.96068376       0.03684991 
Hf       5.53826865       2.49346833       7.46946570      -3.07759133       1.09921515      -3.33449462 
Hf       4.40980359      10.33546188       5.59022653      -0.28294988      -0.14399627      -1.35863790 
Hf       2.56041370       2.54789257       9.90249151       1.25275028      -0.28131615       2.67616081 
Hf       2.43346633      10.26136317       2.32147705       4.54467884       2.38139660       0.63051453 
Hf      10.27264270       2.66099461       2.55027980      -0.66955016      -0.89284768       0.81646294 
Hf       2.17571596      10.18724343       7.86801912       1.98971674       1.58517378      -2.46451995 
Hf       7.18336731      10.01099126       7.51978510       0.18355046       1.45595254      -0.20086334 
Hf       2.30846966       5.63606618       7.51485290       1.40198689      -5.49657930       1.02481406 
Hf       5.10187447       4.91373113       4.99292572       1.04007382       0.48973939       1.15839598 
Hf       0.03839316       5.01216773       5.01822253      -2.96293173       2.11877520       0.25246537 
Hf       2.31173741       7.55809914       4.97331070       0.87279800       2.94429165       1.31094807 
Hf       5.36633337       4.97154956       0.26402235      -1.10196965      -1.34024343       0.41250336 
Hf       4.79457240       7.78115835       2.75409136       2.72900529      -0.40736575      -0.18085311 
Hf       4.96121565       7.42344718       7.82412733       9.49340764       1.57525612      -5.41598346 
Hf       7.74324402       7.82206214      10.36684269      -0.82638955      -0.72880930       0.98586056 
Hf       8.05187645       4.80448849       1.88193642      -3.81181287      -0.78794873       4.11075888 
Hf       2.93823075       5.31673237       2.54724722       1.23297972      -0.41997674      -1.06144624 
Hf      10.04918755       7.83971329       2.59338987       2.85953601      -2.28026983       1.84964560 
Hf       0.50721236       5.32287802       0.42804152      -3.05056973      -0.41602948      -3.35997361 
Hf       7.84912868       2.80607697       5.15244443      -0.71742701       0.37224460      -1.08567871 
Hf      10.03834656       8.15882710       8.10751153      -0.08236120      -2.34616616      -1.11444101 
Hf       5.21912898      10.01578447      10.24460030      -3.08564448       0.75478060       3.11271904 
Hf       2.40681625       7.70582201      10.14098167       3.65031697       1.66357554       1.95348277 
O       1.12717164       9.02360409       1.64997560      -4.09510472      -0.28289416      -1.47194074 
O       1.61069941       6.70984021       1.11482404       0.17937252      -2.29659689       2.57518209 
O       2.82417691       1.01741794       6.29384947       0.00782923      -1.32478028      -0.26755268 
O       1.09511859       1.21392158       3.42076737      -2.13869032      -1.07086093      -0.89362973 
O       4.10433059       3.76085764       1.64125401      -2.07897887       2.12053093      -3.02813191 
O       1.22645339       1.15122956       8.88419944      -1.15970414       0.06605381       0.06055606 
O       3.47553961       4.02088860       3.87459425      -1.11735147      -2.06643387       3.66054218 
O       6.56656055       3.46260276       0.96009163      -0.06727133       1.45609304       0.33960600 
O       3.44657701       1.18601021       3.62819552       1.88102959       1.56479560       1.29714482 
O       0.79071649       3.49752051       4.15084133      -0.08173088      -0.20486775      -1.27454576 
O       1.99746307       0.91980419       0.74007746      -3.39511534       0.60360124      -0.27395183 
O       3.91767219       6.63859585       4.47471831      -0.05884322       0.68644704      -2.48202993 
O       4.40892171       0.95627942       1.08645404       0.61992202       0.74164162       1.34757298 
O       8.65401609       1.62808827       3.65824712       1.10765505      -0.86460561       0.82330139 
O       0.50204593       9.24756696       6.52695258       1.16582094      -0.11904488       2.35898841 
O       6.08520494       0.69399635       4.78551306       0.93157705      -0.71622784      -2.45982500 
O       6.44752657       8.57945687       8.97066197      -0.23219558       2.55292206      -0.74851087 
O       0.19768768       1.56837870       5.88675260      -0.17131317       0.58994713       1.15152799 
O       3.63104212       4.62714501       9.81749383      -0.35456508      -0.03981692      -0.75837538 
O       1.34130727       9.06417171       9.28149346      -3.60619236      -0.59456678      -0.47735723 
O       1.31306590       3.94774263       1.78391983      -0.00854941       1.06541615      -1.77319320 
O       3.37062767       8.80452800       6.63912219      -0.48927881      -0.81358496      -1.62397534 
O       9.08146972       9.57383065       9.00653853      -1.03247348      -2.61630035       0.42286689 
O       1.22068400       6.16917934       8.98410769      -0.74340327       1.22454222       1.65974926 
O       1.45735137       9.12826086       4.17781472      -0.32009338      -0.11159988      -1.66922355 
O       4.13201547       5.89493016       6.58407406      -0.42734325       0.51937558       1.79543424 
O       3.49784873       9.19472719       0.78332118      -0.76489479      -1.18189360       1.94659560 
O       3.85703720       9.08755666       3.85364615      -0.75535088       0.41200490      -0.18545131 
O       1.42179685       3.64096920       8.78488315      -1.90979572       1.15335752      -0.65563725 
O       9.04377403       3.66574730       0.85305621       3.74731236      -2.09353358      -1.28278834 
O       5.42407874       0.65663746       7.17287338       0.01838429      -4.50445853       0.31400014 
O       6.18851063       3.22838699       8.96039724       4.06796127       3.58689282       5.13366486 
O       3.98245336       3.32017609       6.55253009      -0.66753006       0.57651188      -2.47269581 
O       1.40788224       3.94652551       6.39813061      -0.86786892       1.84295771       0.65170189 
O       9.11730118       3.95200813       8.76502165      -0.91161994      -0.06879165       1.10875423 
O       9.06795399       3.95817063       6.29965717       2.03548065       0.75619581      -0.42632175 
O       6.48663353       4.12736439       6.45962540       0.61805649       0.29735040       0.09298881 
O       6.73062943       0.64161071       9.76480844       2.01932326       0.95047542      -2.15362516 
O       6.72136894       1.19665151       1.87000998      -0.78737628       0.88651526      -0.45873806 
O       9.24421411       1.26384242       8.69305376      -0.33617378       2.75452388       0.99665972 
O       6.40066301       8.80684888       1.10128381      -1.12106115       0.16288619      -1.21594943 
O       8.50619891       9.40044977       6.00711421      -0.68512858       1.75407030       3.29218666 
O       1.15108503       6.50044263       6.16443146      -0.84241397       0.04938927       1.61309275 
O       8.53781165       6.66092192       7.18273118       2.60900349       1.59867976       2.34179084 
O       9.88193203       7.19648753      10.05289583      -1.77959617       0.50855531      -2.34696751 
O       9.02636591       6.55508687       4.33964708       1.04191130       2.52099630      -0.48305502 
O       5.97467486       8.68521102       6.58140225       0.20217356       3.33771120      -1.47983598 
O       6.52129371       6.36983953       9.24803291      -1.96941304      -2.82754017      -4.20584925 
O       3.44517800       7.09030071       8.55516189      -7.41382796      -1.63327134       4.44834934 
O       7.07279494       6.01921775       0.74223925       0.68865688       1.94928259       2.41311552 
O       9.48583209       6.06761387       1.61257495       2.52524830       0.36677570       0.87269610 
O       9.55163707       1.27936631       1.10451933       0.09158237      -0.75065613      -0.62171550 
O       9.26701452       9.22559757       3.85594631      -2.34967300      -0.74962085      -2.82986281 
O       8.86966576       8.54015493       1.44080587      -1.69534004       2.85818309      -1.73648600 
O       6.25844117       3.27938554       3.94219345      -0.45355519       0.92052514       0.66810223 
O       5.09084257       5.48215035       2.97832697       2.04868513       2.21692113      -1.50566751 
O       6.44082015       8.70960878       3.43267016       0.72884950      -2.39824162       2.31349857 
O       7.57279243       1.78583640       6.78136444      -0.31293296      -1.25300389       0.78841851 
O       1.40914907       6.19701672       3.75094416      -0.53254459      -0.25981951      -1.18092091 
O       8.97634637       4.33892052       3.66654933       0.39097164      -2.66172167      -0.76984993 
O       4.18400296       7.00855937       1.08651360      -0.99225438      -3.92816068      -1.39683355 
O       3.73051550       9.66033253       8.94498168       0.94169930      -1.42051317      -0.74902771 
O       3.89001076       1.66523836       9.05533939       1.98397415       0.41618209      -2.28638509 
O       6.57455003       6.64483192       5.79860281      -2.18104125      -2.99973133      -1.48792414 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005897887884097129 -0.007540896635957204 -0.0074973008556336075 -0.007540896635957204 -0.008905463489334672 0.009044334302397032 -0.0074973008556336075 0.009044334302397032 -0.006407497879275009" pbc="T T T" energy=-926.75028258 free_energy=-926.75211843 config_type=crystal 
Hf       0.06072625      10.36329684      10.38377983      -0.31447610       2.08324361      -0.26505926 
Hf       4.64559661       2.31160251       2.34486461       5.33213348       1.90287866       3.13505908 
Hf      10.09735437       2.71497467       7.70656941       1.25556134      -0.60928599      -0.89953206 
Hf      10.43402094       0.03199318       4.99948196       2.13060792      -0.84454118       0.78658546 
Hf       7.68803188       5.03291090       7.83599067      -1.83313306      -1.55190643      -1.37552541 
Hf       7.86956770       7.95473787       5.06406145      -1.26496701      -1.80658329       2.32368496 
Hf       7.96553658       2.40913137      10.27199997      -1.80385520      -1.28927511      -0.58706926 
Hf       7.41433322      10.39697153       3.24672566      -0.31819687      -0.08463999      -3.68848276 
Hf       2.37837948       2.92129047       5.31224206       0.15359390      -2.55418828      -0.23589258 
Hf       5.20992145       2.67813082       7.46943148       2.43054263      -2.88764643       3.45298766 
Hf       4.79188970       0.23582703       5.48759371      -2.22977176       1.11294266      -1.70541694 
Hf       2.62933708       2.37670991      10.03265012      -1.51422764       0.55417129      -0.82855872 
Hf       2.62990885      10.42246698       2.15989598      -1.32704689       1.81431793       0.65325569 
Hf      10.08858202       2.26998649       2.54061615       1.91482500       0.49356676       0.64360999 
Hf       2.47461148      10.07431481       7.61667469      -1.10210421       1.03274641      -1.27571952 
Hf       7.52560012      10.24647689       7.74554501      -1.23458669       2.33867801      -2.35592079 
Hf       2.29770622       5.16788563       7.97665524      -3.91921788       3.39940299      -3.90493207 
Hf       5.49223516       5.08369981       4.84253135      -4.98236111      -1.50238461      -3.41911993 
Hf      10.25856053       5.18291865       5.15823548       2.70871926      -2.57714055       2.74494269 
Hf       2.38548854       7.52969115       5.15672877      -1.59234148      -1.02162703       2.19134512 
Hf       5.14885839       4.89446097      10.46613354       1.68651630       0.03597209       0.16622746 
Hf       4.66203179       8.01795654       2.51155455       1.33232385      -2.57343684       1.25076913 
Hf       5.06853355       7.72903479       7.22769512       0.12084846      -0.50201084      -0.58192382 
Hf       7.49174270       7.84530360       0.13787408       1.31243152      -1.65516766      -2.22875333 
Hf       7.80878483       4.83035215       2.13723247      -4.19300703      -0.33405929       0.15333395 
Hf       2.88271185       5.16799783       2.65452054      -0.90953547      -0.94745246       0.02295149 
Hf      10.26796923       7.74986640       2.80286134       0.48546482       1.08637456      -0.04610511 
Hf       0.35851686       5.34636501       0.45434570      -0.00620116      -0.82533028       0.70811861 
Hf       7.59285948       2.68356895       4.84359963       0.47297190       2.01666012       2.42594973 
Hf      10.14496930       7.80982883       8.07740194       5.44338701      -4.28125495      -3.02145849 
Hf       5.43442165       9.88825403      10.42164005      -2.09670580       2.63334879      -0.43256137 
Hf       2.54805573       7.76797921      10.18712349      -0.03458618       1.49507037      -0.67178487 
O       0.98708543       9.24329120       1.51036152      -1.03593260       0.42025775      -1.81137621 
O       1.67865676       6.79193761       1.28871556      -1.98415442      -0.35333815       0.04793572 
O       2.92393413       0.93941272       5.95509919      -1.12899268      -0.81199365       1.13381473 
O       1.25613501       0.80633269       3.32965773      -3.86560092       1.50394960       0.70800050 
O       3.95873758       3.70002076       1.02583444      -0.52282952      -0.68110007      -0.77341486 
O       1.18903620       0.98437112       8.41286322       1.10716507      -0.14512379       2.37931037 
O       3.85966359       3.88105127       3.99030437      -3.81213062       0.81573447      -2.85537588 
O       6.72269072       3.33282659       1.16180200       0.81308440       0.46984730      -0.92789461 
O       3.59181093       1.38390219       3.64257848       0.19639743      -0.53545732      -1.01061695 
O       0.94184193       3.67430028       4.10904980      -0.34881736      -0.93042394      -0.84090025 
O       1.22267813       1.40278081       0.81444473      -0.51719867      -1.04299884      -1.22965006 
O       4.03939535       6.31549180       3.65156382      -0.87962687       6.54633238       2.41444900 
O       4.05455920       1.17852667       0.86354460      -2.88648161      -1.41687912      -2.61633696 
O       8.92987969       1.05817207       4.12914406      -0.69119598       2.87418148      -1.66291325 
O       0.74424405       9.32148585       6.34678364       3.28967819      -0.98878574       4.56766350 
O       6.39363894       1.15968615       4.82779703       1.10655354      -2.35032248      -1.88811615 
O       6.02430087       8.42541325       9.06054538       0.85094397       2.06259379       1.18696339 
O       0.41873162       1.91037591       6.06920735      -1.05420683      -2.69956636      -1.38962111 
O       3.85280666       4.93454746       8.88336811       2.88958555      -1.13025162       2.50446012 
O       1.12563112       9.05944340       9.16292722      -1.11219947      -0.47465808       1.25655715 
O       1.68950142       4.15128363       1.53207407      -2.36057961      -0.04995703      -2.15515215 
O       3.79537810       9.07704503       5.66423219      -0.61864712      -4.03535645       2.47735846 
O       8.69117403       8.75275652       8.39150307      -4.22118461       3.57679685       2.91364152 
O       1.21913710       6.55431970       9.18445253      -0.70985730      -2.30553366       0.77522191 
O       0.87807200       8.82993031       4.09779570       1.40327142      -2.09241557      -0.68695367 
O       3.62233047       5.82176608       6.03640879       0.22409035       0.33621849       1.00009216 
O       3.68830646       9.00610000       0.94187029      -0.09703719      -0.75314484       0.92157186 
O       3.53614204       9.35608020       3.45267536       0.55494508      -2.07846957      -0.50297393 
O       1.23122786       3.78814815       9.25321944      -0.00836818       0.31808469       0.90078040 
O       9.80270949       3.59813910       1.12942324      -2.05761110      -0.11915501      -1.05067609 
O       5.21069218       0.31644870       7.39484976       1.32612198       2.10774680       0.39155393 
O       6.33461982       3.36131077       9.08566238      -1.52684467       1.50493790      -0.06988819 
O       4.46416974       2.83725788       5.83605328      -1.23414221       0.37638081      -1.36959283 
O       1.28732502       3.96098112       6.75318190       1.07935133       0.20549417      -0.54875563 
O       8.72546130       3.86312037       9.18071274       2.02086753       2.40942193      -1.96080223 
O       8.98257491       3.92231573       6.32662417       1.07909638      -0.39205268       0.48408330 
O       6.61739059       4.08505886       6.08543781       0.68990916      -0.50668447       3.12764095 
O       6.98868563       0.53545979       9.61641447      -1.24339505      -0.42142813      -0.19086204 
O       6.08840352       0.72222735       2.03202675      -0.65179201       0.01774217       0.08603272 
O       9.35859963       1.31377122       8.90795384      -0.67159958      -1.59514463       1.99176460 
O       6.19093292       8.60583787       1.35770257      -3.59916224      -0.15711571      -1.42931734 
O       8.92331477       9.41359961       6.01585443      -1.04750236       1.57005077       2.03846440 
O       0.89762998       6.52372260       6.45203583       0.16302570       0.56340336       0.06674769 
O       8.87635460       6.29553066       7.03562110       0.73610845       2.40364564       1.43202746 
O       9.20166262       7.09197624      10.25899415       3.86884119      -1.75154187      -2.06419985 
O       9.02908765       6.31440070       4.41465520      -2.52541582       3.67004924      -1.61317736 
O       6.57015192       8.93624408       6.24906136      -1.99332963       1.09367318       2.86310517 
O       5.90889081       6.27423791       8.18576385       1.69732307      -2.57032371      -0.23171475 
O       2.90632475       7.72775341       7.65457678       1.63275434       0.09435570       0.83920689 
O       6.83157311       5.84182225       0.43040678       1.42824390       1.62718014      -0.21892705 
O       9.45469054       6.01537927       2.04238693       1.06842541       0.20178369      -1.54525378 
O       8.53766565       1.03448643       1.11750831       4.08999462       1.11751187       2.60687008 
O       8.88372186       8.97582400       3.84293138       2.50329636       0.49099872      -4.46632571 
O       8.32003651       9.13155646       1.40229204       2.95987290      -0.60598969      -0.33468631 
O       6.12988693       3.41123800       3.56994703       2.95499818      -3.00140648       2.14030881 
O       5.82371939       5.35444324       2.80073000       3.81590442       2.94650238      -0.96634171 
O       6.35348358       8.80449556       3.62755530      -0.61665360      -0.81324911       2.15932772 
O       7.65891680       1.87041649       7.02730392      -0.34442296      -1.85845602      -0.20994149 
O       1.17585863       6.14440941       4.01805142       2.19532493       1.91316294      -2.55443269 
O       8.85612218       3.83865845       3.50239190       0.35640091      -2.67073046       1.21262799 
O       4.03783819       6.30811260       1.18418637       0.42139112       0.78976311      -2.43345296 
O       3.74213455       9.64005291       9.15333023      -0.41539549       0.02567417       0.28715205 
O       3.36350396       2.17980238       8.16967542       1.24929627       1.07135925       2.49429928 
O       6.43378990       6.57940886       5.47668469      -0.22440596       2.01941755       1.19029759 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016694491314349854 0.006601508443381725 -0.00938072999872849 0.006601508443381725 -0.026192239978540074 0.009418799103724881 -0.00938072999872849 0.009418799103724881 -0.03929281636787694" pbc="T T T" energy=-929.12005332 free_energy=-929.12071763 config_type=crystal 
Hf       0.02275310      10.40063732      10.34276310      -1.14380620      -2.80516556      -0.77024063 
Hf       4.68602555       2.34922829       2.33426308       4.24796287      -1.89102002       0.37214532 
Hf      10.05963052       2.69244073       7.78078314       2.17211910      -2.04704216       0.59915514 
Hf      10.42147992       0.01455200       5.10069315       1.67798503      -0.91181278       0.46987364 
Hf       7.64563341       5.00339548       7.73215497       0.77139553       0.97065942       1.12259026 
Hf       7.87165445       7.94620708       5.16333713       0.10996320       3.40070466       0.87305382 
Hf       7.98303021       2.44877901      10.34004932      -0.84873308       0.55175158       0.39987132 
Hf       7.50090146      10.35120859       3.17405308       0.66590164      -0.44147396      -5.84315199 
Hf       2.40765972       2.87131740       5.35646834      -3.37205686      -2.21903884      -1.39709218 
Hf       5.18999349       2.75579902       7.52865793       2.03988377      -1.83394224       1.71184517 
Hf       4.81093222       0.29455372       5.43248331      -1.52447549      -1.47974266      -1.03213244 
Hf       2.54828693       2.37282402      10.04448865      -1.15494432      -0.41631796      -0.45654225 
Hf       2.60007254       0.05652606       2.14189485      -1.16782522      -2.44339410       1.99715044 
Hf      10.08528370       2.18773304       2.54072604       0.74806338       2.24301157      -0.26722667 
Hf       2.54808609      10.07695250       7.52281967       0.00224620       0.10933314       4.38674565 
Hf       7.58981287      10.36853403       7.77768263      -0.85735767      -4.11803974       2.40078871 
Hf       2.27327989       5.12685310       8.12059386       0.83429530       1.94045670      -1.55914064 
Hf       5.51826669       5.11319921       4.80835962      -3.96019719       1.50424075       1.08150636 
Hf      10.24622978       5.20845461       5.20360321       0.96862119       0.33631824      -0.62901614 
Hf       2.35760878       7.54537799       5.28518714       2.98376224      -3.07319816       2.84981165 
Hf       5.11230634       4.93319795      10.37240977       4.25595612      -3.00202388       0.36850945 
Hf       4.67374148       8.02843363       2.42648444       3.72272364      -2.81979115       2.45331547 
Hf       5.06476886       7.77910624       7.07170897       3.29726205      -1.47229361       2.64571590 
Hf       7.50616669       7.89362573       0.13248618       5.49489759      -2.20957992      -3.54485436 
Hf       7.69752682       4.83895568       2.25685329       3.34258278      -2.00370509      -3.62914911 
Hf       2.79305608       5.17963248       2.58089710      -3.71297777       3.95480129      -1.48829283 
Hf      10.35481692       7.76313273       2.78015743       4.83275379      -1.15272404      -2.32533704 
Hf       0.34479054       5.32048199       0.39413605      -5.08471281      -0.22146911      -1.65854685 
Hf       7.53858888       2.67425675       4.86907332       5.60154853      -2.48421282       3.87415063 
Hf      10.25251442       7.65014246       8.03315682      -0.70875151       1.31402341       1.09303362 
Hf       5.39964006       9.93801882      10.45067287      -2.44597375       2.94098696      -1.75308118 
Hf       2.58281869       7.78459901      10.20184765      -3.09243960       2.84197326      -1.74514066 
O       1.06765193       9.50963244       1.39845743      -0.95416003      -1.74815254       1.98362606 
O       1.37073163       6.72818955       1.24397454       2.53574863       2.22288391       0.40111202 
O       2.85458017       0.77228174       6.00255158      -0.65062165       1.31596984      -1.96572853 
O       0.94636270       1.05856078       3.56005019       0.56588006      -2.28397108      -1.62608158 
O       4.02885369       3.36446423       0.83938233      -2.15519287       0.14858263      -1.73094869 
O       1.20694942       0.69142491       8.56879935       2.48028152       2.14043242       0.25648802 
O       3.49244085       3.79534136       3.54865784       2.64887365      -1.94120105       1.80065748 
O       6.43601700       3.25507067       1.22093383       1.57904415       0.86625778      -0.92825626 
O       3.45697466       1.28579978       3.47415032       1.13545361       0.70753021       0.93775036 
O       0.84859353       3.47879104       4.09378526       0.67473074       1.54476968       1.24275010 
O       1.00658542       1.42689242       0.56489546       2.04851176       2.42833598       2.25234006 
O       3.97510776       6.67168296       3.59556400      -1.42053785      -2.58113950       1.45611349 
O       3.85477211       0.59464469       0.75334347      -1.32102859       5.85275976       1.36551531 
O       8.94127832       1.21249964       3.92234828      -0.39708814      -0.48566482       2.22007609 
O       1.05298157       9.16013389       6.72699117      -1.04587202      -0.26538791      -0.74117575 
O       6.56269067       0.89631741       4.55739051      -1.17877432       1.15878316       2.47756234 
O       5.98276973       8.40068894       9.13735703      -0.16127513       0.50425296       0.77158444 
O       0.34702633       1.72993978       5.97075066      -0.59406746      -0.29520759       1.79456356 
O       4.09192594       4.48353535       8.83322151      -2.51144680       2.59770844      -1.84174604 
O       1.00049127       8.92157068       9.43322772       0.79912111      -2.60560996      -0.29668385 
O       1.53897454       4.14780069       1.30610096       2.80462379      -1.75160728       1.93492506 
O       4.09286759       8.81656403       5.69912357      -0.30151007       1.41704819      -0.45771342 
O       8.65889554       9.02212836       8.63887432       2.63063413      -3.11072429       2.90592678 
O       1.11868858       6.42377552       9.16922232       2.87421231      -1.37272094      -0.22161977 
O       1.16265101       8.51673775       4.37615381      -4.40703125       4.14673156      -3.74872168 
O       3.55784183       5.75386902       5.80876507       1.74320598      -1.34595090       1.24006947 
O       3.60052885       8.74442396       1.03143951      -0.75489863      -0.36177334      -0.59469425 
O       3.61588371       9.14628146       3.36283140      -2.94794750       4.14703662       1.45407351 
O       1.12525842       3.78921036       9.28385850       0.84496427      -0.48026724       0.09650998 
O       9.44162129       3.58760299       0.95480568      -0.90240814       0.29689870      -0.09234015 
O       4.96762944       0.55084364       7.36862418       1.53631892       1.05729884      -0.71542570 
O       6.41965822       3.52075642       9.10769519      -0.51751464      -0.79455212      -1.73832269 
O       4.35933484       2.69773275       5.68162042       2.27685224       0.86312515       0.00629417 
O       1.43187329       3.98417338       6.89681186      -0.83926995      -2.15983140      -3.33402530 
O       8.86516194       3.88678675       8.93237755       0.47544330      -1.32395463       0.26917209 
O       9.15698807       3.89482123       6.47691033      -0.35198907       0.68315509      -2.17570162 
O       6.61014421       3.96632526       6.28591871      -1.04633726       0.25978948      -1.51144731 
O       6.75247564       0.61969491       9.51334438       0.13988077       0.94754132       1.36675465 
O       5.94401517       0.52692565       1.98847805       0.07761108       0.91548305      -0.01476123 
O       9.54610066       1.02565955       9.06735155      -4.51290966       4.27582526      -1.14881380 
O       6.11818247       8.61030463       1.21410128       0.79607195      -1.46625741       0.49769114 
O       9.00932945       9.39908446       6.16953760       0.49957295       0.98816420      -1.35007890 
O       0.93177659       6.59154546       6.58986627       0.11134623      -1.59991815      -1.10561000 
O       8.92017752       6.51216624       6.98411096      -0.90017091      -0.33321356       0.69893598 
O       9.45338028       6.61618813      10.04563930      -2.32644381       1.97104338      -1.50941485 
O       8.84261272       6.49063696       4.45838455       2.51297146      -3.19354838      -0.19028071 
O       6.69439524       9.11059318       6.61309296      -3.31685643      -1.88699272      -1.59182865 
O       6.09984820       6.20913762       7.90099111      -0.74019425      -0.93300417       0.94126011 
O       3.05654109       7.77533391       7.55857545       0.91224417      -0.71401122       2.49329480 
O       6.98321516       5.52190977       0.09050531       1.11192343       3.04214523       2.08058938 
O       9.46496385       6.20425064       2.17274670      -1.99564210      -2.73925465      -2.08758027 
O       8.64479024       1.20161992       1.44944876       0.56665429       0.38257866      -0.68845944 
O       9.06261717       8.77123136       3.52069561      -3.46117526       4.20954555       4.21611891 
O       8.56739259       9.15158730       1.35479360       0.03877886      -1.32189801      -2.87872675 
O       6.44721803       3.09578976       3.52800196      -4.37998251       2.70883921      -1.48783306 
O       6.25528707       5.64362403       3.08687800      -1.17390675       1.50150464       0.45705025 
O       6.34311482       8.91055260       3.76785387       0.31629088      -1.98095056       1.38536950 
O       7.64598476       1.57215040       7.14388849       0.98165377       6.82649770      -3.78324849 
O       1.24753525       6.12518091       3.90617957       0.37468024      -0.52780196       0.02400113 
O       8.91337554       3.74171967       3.46686595      -1.15104746       0.11481279       1.89212715 
O       4.14582813       6.07045356       1.10525961      -1.74727716       1.77365922       0.28231873 
O       3.55649001       9.87019334       9.48323930      -0.49557900      -2.36837963      -3.75641509 
O       3.50381530       2.44564700       8.25266830      -3.00681995      -1.86309985       1.68256962 
O       6.49900876       6.64130963       5.57059643      -3.02058216      -1.23526161      -0.19033028 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013027527963538737 0.008447861798933073 0.0037214423382503524 0.008447861798933073 -0.017242627567618546 -0.006231303534447381 0.0037214423382503524 -0.006231303534447381 -0.03943563989121966" pbc="T T T" energy=-929.5452934 free_energy=-929.54530864 config_type=crystal 
Hf      10.40484358      10.44505032      10.39995377       1.62746221       0.50793981       0.64262642 
Hf       5.13339542       2.65529880       2.88293583      -2.75115221       2.31980735      -3.66787950 
Hf       9.98211690       2.71997134       8.26833610       2.91266946      -2.32119511      -2.31338253 
Hf       0.00933972      10.07207117       5.14671031       1.00667920       1.91162986       0.38850709 
Hf       7.40408984       5.19350825       7.41215489       1.12669659      -1.10446061       1.55823922 
Hf       7.97108660       8.01624155       5.25626160      -0.56292408       0.23257943       0.36183784 
Hf       7.50921905       2.65875663      10.19855509      -2.90610577      -0.87361728       2.20002868 
Hf       7.52166933      10.29264539       2.49317569       0.56330854       0.27629296      -0.52780116 
Hf       1.96439595       2.27902918       5.56815184       3.52848195      -4.60693138      -7.84250686 
Hf       5.14067058       2.48871835       7.58216805       3.12909881      -3.87431219       2.44911037 
Hf       4.91436685      10.22346988       4.81480136       0.25299398      -0.62929290       1.23328091 
Hf       2.53183239       2.77301613      10.03958105      -2.52585401      -1.63400031       1.19976771 
Hf       2.52054313       0.04171492       2.86670181      -3.47763573       1.15677195      -2.16465478 
Hf      10.28303909       2.89903996       2.44570226       1.09819557      -8.57149881       0.97505880 
Hf       2.46795770      10.43605190       8.02445626       0.68935686      -0.65394667      -0.18920274 
Hf       7.62521940      10.37683728       7.72246903      -3.46776611      -1.54478850       2.05958473 
Hf       2.83303225       4.91605672       7.29843858       0.41486609       2.88604063      -0.05035868 
Hf       5.38657144       5.06030754       4.98269962      -2.10549819       0.85510985      -0.64424446 
Hf       9.85320482       5.19956085       5.14569216       3.09040376      -0.73776267       1.71561938 
Hf       2.57623462       7.65601096       5.11924397      -0.62981989       1.39209357       1.79718549 
Hf       5.26356952       5.28805666      10.03094570       0.05485278       0.71902181      -2.51303078 
Hf       4.86706276       7.81682339       2.07446584       2.87631278       0.31899458       1.45534181 
Hf       5.29685318       7.85168295       7.63743911      -0.24232974       0.97641126       1.07414979 
Hf       8.03984419       7.90052107      10.40941867      -3.10392181      -2.31412098      -3.18554213 
Hf       7.37913706       5.08129792       2.52674665       1.18696368       3.44567903      -3.30420130 
Hf       2.49841695       5.01610051       2.45990626       0.32108787      -6.91278876      -0.55326694 
Hf      10.43465927       7.55242771       2.47290015       0.46414690       3.06978117       0.44695231 
Hf      10.13350012       5.10753197       0.07974889      -1.12004316       2.58813987      -1.76330986 
Hf       7.78298774       2.30880479       5.00020392       1.79982161       1.97001729      -0.28936400 
Hf      10.35797394       7.43672136       7.83647745       2.86926044       0.22863148       0.82388694 
Hf       4.90703140      10.37819349       0.06275617       1.17529530       1.11704087      -0.94326723 
Hf       2.78585188       7.33007246      10.11848688      -2.21310006       3.20886662      -2.23677461 
O       0.88304774       9.27938033       1.83069799      -0.92351270       0.64956473       0.06618724 
O       0.98956770       6.95050148       0.57910479       0.35290987      -1.87386008       1.56480518 
O       3.91299034       1.04942881       6.85973598      -0.98985674      -0.76709524       0.42749161 
O       0.62015930       1.16083806       3.90257501       0.84602786      -0.35372562       1.39074746 
O       3.43687903       3.66317356       0.92777452      -0.02974086       2.27299878       2.53692446 
O       1.09997533       1.15120099       8.95439938      -1.41966668       1.86928788       0.90786407 
O       3.91950388       3.99529152       3.91825327       1.35899389       1.05755540      -1.39149750 
O       5.88263624       4.28979605       0.95843871       2.08233324      -2.97597427       3.61027658 
O       3.41882714       1.10504882       4.36229782       1.16538923      -0.36865324       0.83676663 
O       1.71137211       3.21289880       3.37486805      -0.19929002       2.53705937       1.59933101 
O       1.08402097       1.86029379       1.28023521       0.90715734      -2.03376801      -2.63896445 
O       2.29469331       6.43077615       3.62528654       1.36118347       0.29741099      -2.71603954 
O       4.18385539       1.25365515       2.09102724      -2.05297203      -3.41899313      -2.31707180 
O       8.78128016       0.77062453       5.37977919       0.82734170      -1.68132192      -1.35860647 
O       1.85085694       8.18755598       6.76657371      -2.64233994       0.47163970       2.76236572 
O       6.28134938       1.46598064       3.76466754       1.41896621      -5.31575086       1.84136618 
O       6.61874115       8.78786330       9.09885931       0.12864142       0.44868896      -0.68927493 
O       1.31484861       0.57976835       6.48320522      -0.41349629      -0.15389735      -0.42386982 
O       3.76116472       3.83447155       8.76280910      -0.43223964      -0.73248529       0.92256365 
O       1.41362526       9.34446712       9.38314339      -0.89014009      -2.45605791       0.73720806 
O       0.43700906       4.51997772       1.81968975       2.83403638       4.90945464      -1.67055070 
O       4.09210062       8.85326229       5.97157456       1.49016692      -0.37379942       0.39129993 
O       8.81538668       9.55515643       9.34017755       2.72679451      -0.09861664       0.01629698 
O       1.64560722       6.47738612       8.67253341      -1.38798806      -1.18836297      -0.50665963 
O       1.79940384       9.39694150       4.48383081      -0.37963849      -0.20686164      -1.22631025 
O       4.36324449       6.16144671       6.38565040      -1.05076309      -0.40923518      -2.78165280 
O       3.35976156       9.08677849       1.07601328       1.41871090      -1.22139855      -2.15113525 
O       3.84024774       9.10922619       3.36054307       2.36873646      -1.00515356       1.81249142 
O       0.87346991       3.84867398       9.58330915       0.19893036       0.12642768       0.23379858 
O       8.26646108       3.70951203       1.23786667       2.64569066       0.56798458      -0.70965482 
O       6.68486639       1.71982294       6.37683754      -2.37308254      -3.17268480       3.13708403 
O       6.27690009       3.76377614       8.84992870       1.75547784       0.41984625      -0.31942367 
O       4.26435868       3.46630287       6.35602446      -6.76551591       4.39423961      -4.32349017 
O       1.27117609       3.06467605       6.98577822      -1.26694090       3.82319851       4.88705643 
O       9.09512518       4.34170767       8.79410555      -3.21086719      -1.01583167       2.76229716 
O       9.20229185       3.70446136       6.56730658      -1.28094404       0.37261200      -2.27181106 
O       6.38776185       3.88468440       6.11621357       3.37801811       2.21912818       1.87339035 
O       5.92666943       0.85705776       8.78901793       2.03391895       0.28322635       0.48971454 
O       6.39178851       1.39626916       0.94417097       1.08639896      -0.25054496      -0.36352000 
O       9.09351778       1.59433875       9.93347189       0.71024519       1.16119986       1.20529428 
O       6.05465651       9.20922372       1.42095128      -0.58143780       2.11447214      -2.12391544 
O       9.52938865       8.78264747       6.67329266      -1.61289423       1.24240937      -0.69020241 
O       1.55329607       5.51788499       5.87192524      -0.57292646      -0.57931149       0.75249938 
O       8.96694595       6.32180292       6.91355663       1.66259903      -0.07730195      -3.53233839 
O       9.12171299       6.47321597       9.13734814       1.35794937       3.57880752       3.90918663 
O       8.40254575       5.94941615       4.22759982      -1.58596259       2.01523537      -1.59031689 
O       6.61806734       9.21143617       6.37188086       0.18781906      -0.79425015      -0.53209581 
O       6.53921697       6.51127232       8.94611025       0.01429337      -2.63972039      -2.68220353 
O       4.02109656       6.35251441       8.52033352      -0.25772729       0.96225900       3.22066766 
O       6.69285985       6.86683740       1.03625595      -0.69704102      -0.60639839      -0.71945229 
O       9.09242522       6.30689476       1.68838446      -0.09576875      -0.20539444      -1.11048781 
O       8.94777846       1.12299741       2.36248111      -0.65423952       0.46115719      -0.08483662 
O       9.17855953       9.01194788       4.10603731      -1.10092983      -0.40977308      -3.64479590 
O       8.67486036       8.98629837       1.33866246       1.81843083       1.54487459       2.55696371 
O       6.80485342       3.64387211       3.69239341      -1.44203103       2.03938826      -0.16751435 
O       5.61918818       6.04280521       2.92248132      -0.79554047      -0.46070069       4.02483280 
O       6.45684777       8.88053135       3.73314147       0.42090064       0.47784765       1.98653561 
O       8.95052165       1.12084566       7.67103373       2.89940903       3.23958963      -0.07099016 
O       0.32214147       7.20938827       4.46046063      -1.45703757      -1.33760632      -0.37882117 
O       9.29145236       3.66348692       3.87971243      -0.83836038       1.13826949       2.98243059 
O       4.10961099       6.31531146       0.89911649      -3.17880024       0.87566805      -0.37291285 
O       4.27586951       9.11965953       8.85914754      -2.41413961      -0.56448477       0.08746576 
O       3.50242686       1.13679395       9.65621314       0.68627126      -1.49930077      -0.28714169 
O       6.79581711       6.48560397       5.79332575      -2.37558152      -0.66342637       2.11914427 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009726344934567154 -0.0005294823173592523 0.005954558652364029 -0.0005294823173592523 -0.016817910790974888 -0.008132015328930707 0.005954558652364029 -0.008132015328930707 -0.03207306391997004" pbc="T T T" energy=-929.11412177 free_energy=-929.11453435 config_type=crystal 
Hf       0.00878962      10.40777568      10.40600177       0.63008082      -0.96845724       0.33873601 
Hf       5.13415841       2.58966432       2.90035598      -0.97054533       0.43616177      -2.78850828 
Hf       9.97744364       2.74962187       8.21036539       3.07124141      -2.67174549      -1.64465642 
Hf       0.02507806      10.03569380       5.11026470       0.15131087       0.35958468       0.51066534 
Hf       7.33270471       5.24691183       7.46808532       4.99355808       1.27587872       2.08506858 
Hf       8.00505381       7.99997718       5.29549163       0.34936099      -2.98355115      -1.77392098 
Hf       7.59728051       2.68178949      10.22756551      -1.53552692       1.66096317       2.20874915 
Hf       7.57123840      10.29312589       2.48721383      -0.98953225      -2.94063350       0.98865413 
Hf       2.00673612       2.24505422       5.61038767       1.32629477      -1.23746025      -1.51932115 
Hf       5.18874194       2.50635693       7.67256682      -0.54291898      -0.93581237      -1.44562394 
Hf       4.91742298      10.21655308       4.81628034       1.80565861      -0.48518726      -1.48351603 
Hf       2.43871545       2.72896955      10.01051275      -2.10261707       1.39047236       2.28565756 
Hf       2.41624703       0.11806114       2.88316535      -0.17779892       0.14790142      -1.96956299 
Hf      10.27547339       2.84992690       2.44969386       1.42820836      -3.14247973      -1.56348489 
Hf       2.52239355      10.45846632       8.05860193      -0.09159302      -4.00808230       0.77878280 
Hf       7.57132841      10.39049525       7.78400987       1.04420894       0.39791124      -0.12594017 
Hf       2.86173539       4.91061053       7.25314139      -3.97976814       3.16504788      -0.09379906 
Hf       5.36140148       5.06388342       4.98589914      -0.19601430       0.17892296      -1.44548389 
Hf       9.76869758       5.16612522       5.14694643       4.01285883       1.99367650       1.30124274 
Hf       2.61823673       7.67213037       5.14192161      -1.91168498      -0.90357623       0.76571875 
Hf       5.20722494       5.26013126      10.00364043       1.86418885      -1.29613708       1.79443476 
Hf       4.89506047       7.85393863       2.03407949       3.29804013      -0.87033821       1.86977448 
Hf       5.24332569       7.89136922       7.64701610       0.09455452      -0.70366777      -0.32953729 
Hf       8.02769608       7.94979594      10.34519063      -0.54158780      -4.39910407       0.05676141 
Hf       7.35499646       5.03790568       2.55631409       1.58521120       7.75906454      -5.77320707 
Hf       2.46930543       4.96977637       2.43310849       1.74401283      -3.05832275       1.41121673 
Hf      10.43625421       7.58190545       2.38763893      -1.69342663      -2.65675396       3.00118321 
Hf      10.15082200       5.15804531       0.03258557      -1.34198759       1.04134224       0.74059788 
Hf       7.73112615       2.26670816       4.91900756       1.41517821       0.81657368       2.26530316 
Hf      10.40514574       7.48145536       7.85623554       3.48650421      -0.17603751      -1.44692086 
Hf       4.89796223      10.39788073       0.10920171       0.45224003       0.78213142       1.03704428 
Hf       2.80033815       7.34183270      10.05910198      -3.96295659       2.62273325      -0.87880299 
O       0.83783532       9.05321370       1.78271873       2.28546298       6.16424229      -1.01969855 
O       0.94334509       6.84549546       0.55768173       0.57107397      -0.44646528       1.05017943 
O       3.75522745       1.03094435       6.94072050       2.36254062       1.78974367      -0.00419001 
O       0.90393733       1.21495198       3.87150819      -1.33676513      -2.14216603       1.97989321 
O       3.37824529       3.87789875       0.83917709       0.31341361      -0.18872259       0.31767697 
O       1.09517302       1.01363441       8.94907355      -2.13862188       3.28758464       1.40332118 
O       4.01295637       4.06223846       3.86300388      -0.06150593      -1.42049681      -1.78179725 
O       6.18638567       4.10360873       1.09369896      -2.69420107       0.25264229      -0.98858069 
O       3.47138589       1.25311331       4.36021128       1.13466013      -0.70286377       0.17442175 
O       1.48478244       3.31603891       3.36417526       2.78323898       2.53230268       3.54870202 
O       1.43760112       1.88006653       1.42281353      -0.23597054      -2.35831389      -2.64369472 
O       2.14062635       6.52274024       3.51434461       1.50911111       0.62347514      -1.83487174 
O       4.26824583       1.05446274       2.10594293      -1.30608932      -1.37190263      -2.30329941 
O       8.71758266       0.72154464       5.33171735       1.50816517      -0.71646700      -1.29475774 
O       1.87572986       8.39193313       6.88494842      -0.91215409      -1.59304198       0.32702535 
O       6.33320584       1.24226939       3.82662693      -0.33530663      -1.02183176       0.05512724 
O       6.57027155       8.57503092       9.30386182      -2.06927106       3.14840138      -3.73386959 
O       1.51710018       0.31421186       6.48220130      -3.33646429       3.02162681      -3.30918034 
O       3.80619156       3.82614401       8.71484596      -0.47252801      -1.94139668       3.24288572 
O       1.43993707       9.19761984       9.33626695      -1.31718914      -2.26117105       1.52716563 
O       0.77983332       4.53769993       1.64086666      -2.85289775       0.42837958      -1.93775303 
O       4.20112200       8.90212783       5.97875217       0.13610719      -2.23365669       2.59820606 
O       8.84495380       9.64286089       9.39950353       0.87349927      -0.55486049      -1.90179691 
O       1.69794052       6.34964384       8.75796116      -0.51568862      -0.06509739      -1.29025703 
O       1.89323196       9.34138869       4.39776170      -2.00090305       0.86697333      -0.58289073 
O       4.30196039       6.01110372       6.25104293      -3.35532132       2.21316155      -1.91475304 
O       3.38368489       9.08798273       1.14015695       1.26908247      -0.35100321      -2.65591536 
O       3.94571543       8.92661444       3.42109548       0.17360144       1.47763559       2.30677715 
O       0.69698686       3.93489369       9.41058880       3.72069657      -1.86645465       1.69435720 
O       8.45528755       3.89225314       1.24135998       3.83058647      -1.13889498      -1.09732861 
O       6.47343209       1.63741627       6.37175704      -0.35278420      -1.42093648       0.80470214 
O       6.33945322       3.98187573       8.78572181      -0.47880360      -3.33104660       0.52226283 
O       3.84131624       3.49246031       6.44984128       0.73987837      -2.08904297      -3.48262492 
O       1.10716393       3.37894474       7.00037292       2.83571060      -2.05528088      -0.40084372 
O       8.95134252       4.18294535       8.84431882      -4.33130177       0.95124294       3.34588153 
O       9.29297551       3.62131567       6.64859463      -2.73940688       1.33620144      -4.50596773 
O       6.59830129       4.03506172       6.24806707      -1.79478415      -2.86750819      -1.76334637 
O       6.14172619       0.92481395       8.88949198       0.05396842       0.60287810       0.30413980 
O       6.62106684       1.57522004       1.01911713      -1.02373556      -1.65220082       0.51946998 
O       9.16982915       1.54739502      10.25146037       1.13378404       0.96136141      -0.47173049 
O       6.03561629       9.48596847       1.55613544      -2.00534985       0.05063034      -4.45665947 
O       9.51891973       8.77979700       6.61380969      -0.99482715       1.12903211       0.37241134 
O       1.45967936       5.49821345       5.82947475       0.52723472       0.67313467       0.98470769 
O       9.03607677       6.29827511       6.61997041      -0.45090442       1.22550042       1.69329681 
O       9.31996386       6.44722033       9.12547277      -0.18676404       3.39526354       1.82463178 
O       8.23634166       6.01799425       4.19706018      -0.86834340       0.26427507       0.85170336 
O       6.68346853       9.15622906       6.19405248      -0.61702561       1.21941017       3.61714420 
O       6.77256666       6.29810378       9.13930008      -1.38580584      -0.45196755      -2.33499701 
O       4.17370569       6.11181661       8.34997884       1.21484944       3.85143775       4.34254515 
O       6.63635597       6.93534328       0.95195500      -1.93385598       0.04235770       1.22014567 
O       8.86982589       6.33771960       1.91825487       2.42328291       0.34110398      -2.43085079 
O       8.87533415       1.06689251       2.46524862       4.13334085       4.63515965       0.56131866 
O       9.09410912       9.03013636       4.05491013       0.04917598       0.85004364      -2.74797900 
O       8.90919827       8.98196787       1.22940130       0.31814791       1.46673624       2.43207550 
O       6.83803075       3.66811905       3.61272009      -2.68890687      -3.85163525       3.65551081 
O       5.42670105       6.13452126       3.19673647       0.74236810      -0.04511431       0.92281402 
O       6.48821926       8.96038008       3.68481149       0.24244440      -0.33732692       2.75612894 
O       9.06712287       1.08621981       7.59249159      -1.02060086      -0.13236406       1.20850517 
O       0.17811913       7.20125729       4.51610250      -1.04196383      -0.21702504      -0.51396524 
O       9.43243521       3.64947037       3.97487573      -2.21889537      -1.30946379       0.54662229 
O       4.02065688       6.32867806       0.90811031      -1.59193626       0.75088369      -1.09518865 
O       4.23558291       9.05647403       8.99823120      -1.42635043      -0.70873325      -0.69964968 
O       3.39945986       1.10313675       9.62527223       2.75073723      -0.67219503       0.91511396 
O       6.51214500       6.43040450       5.93074068       1.63126324       3.29000120       2.56508938 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0055855064190935425 -0.011541813168367512 -0.0082770700981633 -0.011541813168367512 -0.023812058523828887 -0.0035916920926774274 -0.0082770700981633 -0.0035916920926774274 -0.05858418797369085" pbc="T T T" energy=-926.76437813 free_energy=-926.76446978 config_type=crystal 
Hf      10.34605786       0.20328982      10.26917672      -1.49240356      -3.28074546      -2.01602729 
Hf       5.02633875       2.52343578       2.53645447      -1.67051952      -1.67749218       3.20803967 
Hf       9.57688835       2.47254744       7.94231512       2.78324072      -0.31487829      -2.61381717 
Hf      10.21504647      10.32410679       5.36062981       0.98004651      -1.57255563       1.66791563 
Hf       7.48516584       5.33828050       7.99174918      -4.14539875       1.88923609      -5.50813474 
Hf       7.77688688       8.04041816       5.07766385      -2.94921349      -4.31718940      -2.37242711 
Hf       7.17293146       2.62041695       0.01912792       0.81543889      -2.20112095       1.54440060 
Hf       7.99388271       0.30054552       2.83835295       1.39141071       2.30114865      -3.77966503 
Hf       2.63616000       2.48318476       5.30060730       0.98329265       1.92192539       1.56814097 
Hf       5.05787802       2.83280179       7.68000985      -3.77075564      -2.76026655      -4.70315142 
Hf       4.89907133       0.09839180       4.84468969      -0.21346786      -2.94629634       2.86962503 
Hf       2.13284232       2.42732602       9.98064012       2.30002313       0.82950161       0.55990598 
Hf       2.14814694       9.82184725       2.56020322       0.45468128      -3.11141768       3.37989496 
Hf       0.46970380       2.03764648       2.49592872      -0.71901772       1.44854264      -0.91190222 
Hf       2.38742604      10.45335682       7.47139044       0.12694903      -1.82230445       3.63117674 
Hf       7.29084629      10.19442345       7.66221648       4.00812349       6.67089333      -2.41405830 
Hf       2.25150297       5.23292814       7.74994322       2.97727613      -3.34724805       2.51146441 
Hf       5.14509914       5.30913391       5.21556807       0.29397655      -0.10362661       0.23193705 
Hf       0.15507852       4.69786837       4.97571720       0.31830770      -0.84682066       1.84032414 
Hf       2.55652865       7.33891022       5.10299289      -0.40906910       2.78506412       0.10261411 
Hf       5.32332597       5.47475943       0.01944934      -3.75735826      -2.04644751       0.94371511 
Hf       5.04201984       7.89989320       2.31707455      -0.88658682      -0.60530665      -1.58724820 
Hf       5.25822495       7.93602399       7.77678212      -3.37107676      -3.09347047      -1.41607603 
Hf       8.12044314       8.12088388      10.28215543      -0.07972804       2.00181168       5.01383336 
Hf       8.06065874       5.17352325       2.67126960      -2.39364846       2.78451452       1.92750533 
Hf       2.91326876       5.06182828       2.34743480      -2.34752431      -3.67234648       3.04066590 
Hf       0.13849713       7.05851277       2.59503840       1.30491548      -0.57684603       1.54868860 
Hf       9.94358056       4.69553901      10.21223002       3.45246945       0.75890433       3.95090063 
Hf       7.85553828       2.55025782       5.13218312      -5.72952869      -0.32541326       0.66663701 
Hf      10.17199020       7.60163696       7.65242357       2.13534684       2.05315970       0.11561815 
Hf       5.14767372      10.02168604       9.90215492      -3.98612851       1.18448865       3.01879043 
Hf       2.42006572       7.66789606       0.00646874      -1.40327606       1.47229888       2.06722558 
O       0.73583592       8.67122660       1.68386725       0.80716341      -1.45635259      -2.20299726 
O       1.21484658       5.64688174       1.38237287      -0.66193466       2.64073894      -0.48584666 
O       4.61550890       2.03343394       5.79784380       0.36285580      -2.55450715      -0.19463088 
O       0.85216617       0.28384533       3.87232979       1.35869652       1.35048089      -3.37128739 
O       2.60599274       3.00056283       1.94483881       1.77496768      -0.19948389      -1.52372812 
O       0.96608573       1.23194929       8.82901472      -2.25513249       1.46739597       0.02772380 
O       4.09602367       3.80250464       3.96186624      -1.30013356       1.54402051      -0.26254746 
O       5.25002269       3.86161491       1.34765293       0.42506611       1.89606281      -3.29151674 
O       3.67094911       1.15544012       3.78365836      -0.30863869      -0.89294019      -2.42547457 
O       1.13854505       2.80508028       4.08789834       0.33280909       3.06754295       1.67673158 
O       1.06430892       0.47816813       1.34756396       0.52834769       3.39989357      -1.20890104 
O       3.80978032       6.36228283       1.37430615       1.10795584       2.27645915      -2.82307697 
O       3.26486714       0.76885312      10.00222948       1.66297503      -0.23911728       1.50337710 
O       9.06364641       1.57575088       4.23439615       3.75791577      -2.10890513      -1.03768659 
O       0.87831398       9.01369846       6.81961809       0.00882219       0.10600231      -0.48092294 
O       6.99718680       0.57856431       4.50335530      -4.83373328       0.49639471       0.95465864 
O       6.92946180       8.83680670       8.87633608      -3.00793911      -3.35863700       1.15298510 
O       1.38984103       0.88982261       6.17850735       1.39715647       2.75410256      -0.97953740 
O       3.55929966       4.98281820       9.65913436      -0.27289833      -0.29710843      -0.28270092 
O       1.26489312       9.29167309       9.54509915       0.26101764      -0.27730921       0.51914424 
O       0.54270230       3.42652262       0.88045693      -1.71529731      -1.29669753      -1.22702298 
O       3.32464537       9.48508208       6.04075164       1.45112457      -0.26907305       1.32619210 
O       9.25129994       9.92214526       8.61279842      -1.05224660      -2.34251739       2.36659251 
O       1.88149307       6.90497100       8.90603612      -3.08461791      -1.66753041      -2.31009316 
O       1.26100849       8.28352496       3.91653734      -2.26448930      -0.72437064       1.03775662 
O       3.76191263       6.53147408       3.74576956       2.52237873      -2.31361173       1.78853637 
O       3.60592658       9.08514273       1.19601883       0.12394746       0.72740944       1.08006457 
O       3.38574495       8.80324516       3.91588310       3.48985373       2.44872188      -2.32897255 
O       0.96739746       3.94494365       8.91638038      -3.15313285       0.98911420       0.46800299 
O       7.91841450       4.41129701       0.86303260       0.48050016      -2.07950100      -2.47666337 
O       6.89921825       1.78349951       7.29480994       1.43650033       0.22134406      -0.69482483 
O       5.88383033       3.52107448       9.15171132       3.60718757       2.46860596       6.12148287 
O       3.65304385       4.37039636       6.53881874       0.68998928      -2.30316613      -2.11862387 
O       1.25421268       3.51326157       6.41769832      -1.27898715       1.92445805      -0.21633332 
O       8.59026019       4.22526407       8.89306368       1.99027381      -3.10491774       0.14097408 
O       8.88835661       3.79259105       6.10978879       2.16141886       1.12862588       2.61156143 
O       6.12362312       4.37271483       6.80663309       1.47637307       0.42656467      -1.12294241 
O       6.73055900       0.61114047       9.76553124       0.45252333       1.86220387      -1.45595741 
O       6.62192120       1.35792247       1.57941081      -2.27696451       1.23865861       0.94756710 
O       9.02954586       2.08354034       9.75489496      -0.11588216      -0.97114840       0.48411514 
O       6.29134805       8.88565842       1.02769052      -0.23429773       0.40221138      -1.27071694 
O       8.82241442       8.97546742       6.38228436      -0.01882293      -1.04987620       2.22738746 
O       1.06697739       6.26677593       6.63797593      -3.01046146       1.08147712      -2.79982442 
O       9.49708985       6.83574504       9.49728180      -0.21975042      -0.43287576      -0.80755916 
O       8.97544073       6.68668071       1.47089589      -0.37875732      -0.08751924       0.07005635 
O       8.67875128       6.43459830       6.97294311       0.32272979       0.91512688      -0.69563603 
O       6.01641710       9.24441663       6.46504479       1.49957051       1.59240814      -1.49441591 
O       6.22345653       6.44985593       9.06819565       2.19652959       0.69543763      -1.56058209 
O       3.71099080       6.50197154       7.11063382       0.84151716       3.84783602      -1.70042555 
O       6.27229957       6.39673766       1.44817450       0.63755401       0.64694115       1.19621023 
O       9.26260406       6.52076423       4.19123731       1.28474555       1.42664335       0.03063399 
O       9.07554753       1.97873475       2.00395149      -1.38534799      -2.19271499      -1.76497477 
O       8.81188490       9.52402723       4.11313172       0.33563179      -2.85164110      -1.71487663 
O       8.72072671       9.73747858       0.95069058       0.78611198      -0.81620192      -0.55750726 
O       6.46697466       3.30608346       3.64889913       2.86026365       0.29011718       1.50036571 
O       6.95070578       6.03181675       4.13151152      -1.95353968      -1.21548282       0.55384222 
O       6.01390353       8.42285007       3.83638718       2.45688437       2.58985988       2.22591192 
O       9.30538455       0.89899153       6.73370576      -1.57396172       3.17867917       1.23279153 
O       1.50131296       5.80905813       3.92358339      -0.44861658      -1.27538919       0.21906404 
O       9.50327234       4.16391613       3.49256811      -0.25753682      -1.07634994      -0.94898872 
O       4.12132121       7.88966636       9.58046172       2.80771290       1.86329340      -2.09599215 
O       4.69490497       0.33283332       7.95565848       0.44901063      -1.81314643       1.37109231 
O       3.13453909       2.58717337       8.26898626       0.28515652       0.00457781      -0.46774862 
O       5.97949852       6.94556698       6.26966198       1.57794972      -1.23985812      -0.45433020 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.005006561221692744 0.011855906710531874 0.006770678824774922 0.011855906710531874 -0.03473110203806065 0.015287156710456976 0.006770678824774922 0.015287156710456976 -0.03704309737734503" pbc="T T T" energy=-929.39799867 free_energy=-929.39838862 config_type=crystal 
Hf      10.30524136       0.21835560      10.18515804      -1.17970442      -0.78377874       2.43984078 
Hf       5.08559325       2.59084512       2.63608003      -0.26517213       0.63774475       1.42994979 
Hf       9.59119617       2.46084194       7.78711833       1.34414404      -0.16507791       1.02895117 
Hf      10.30117283      10.34170905       5.41769007      -2.24110257      -0.11123533      -0.78426002 
Hf       7.57428375       5.31296548       7.91834616       2.68857140      -3.76403754      -3.39349332 
Hf       7.68849375       8.07666638       5.13236178      -0.50799913      -0.63161728      -1.46583893 
Hf       7.10976690       2.41247051      10.43427233       4.13786125      -0.31432291       0.62994376 
Hf       7.93126072       0.38316360       2.81241991       0.18772662      -0.95810476      -0.96583354 
Hf       2.70128006       2.54885870       5.24165465       0.44979972       3.00081499       2.76774396 
Hf       5.14361441       2.93496195       7.54513298       0.49790461      -1.32165851      -0.52860566 
Hf       4.84516998      10.39496045       4.81346954       2.75769406      -1.14129698      -2.04492877 
Hf       2.18332960       2.50607036       9.96422786      -0.20806842       0.65243085       2.51500834 
Hf       2.17468682       9.87185109       2.72551790       2.02562808      -1.74270764      -2.52957696 
Hf       0.28872677       1.83370524       2.58107188      -1.66137119       7.03798028      -4.82195894 
Hf       2.38629831       0.06076728       7.56056707       1.22384892       0.08082683      -0.03451868 
Hf       7.32760358      10.15698073       7.59159956       2.60587197       5.91813670       4.70694426 
Hf       2.36361020       5.25885010       7.76494976      -2.34341817      -1.74614794       1.07429901 
Hf       5.09359675       5.35594085       5.21095394       5.45667796      -3.36913336       4.77549651 
Hf       0.14950935       4.60385908       4.83847423      -3.67010615       2.58223520       3.43857904 
Hf       2.47656803       7.37241661       5.13818402      -0.67805657       0.71171975      -0.29487236 
Hf       5.25099291       5.49853665       0.17128198       2.19526252       0.39185394      -0.98262733 
Hf       4.84697812       7.87397020       2.31972899       6.83210411       0.60313520      -3.00984266 
Hf       5.33448064       7.80176693       7.84390657      -0.82776018       0.77234432      -3.23932145 
Hf       8.21137181       8.12274550      10.17432353      -2.59315250       0.82729761       4.73025646 
Hf       8.08530267       5.28775900       2.71626034      -2.93764053       0.95064450      -0.75900565 
Hf       2.88459284       4.97243918       2.46304654       0.28127928      -0.87066730      -1.62204317 
Hf       0.23668610       7.10627967       2.60776781       0.37934828      -0.31691720      -1.10383685 
Hf       9.95535493       4.76485488      10.42474066       0.79096722      -0.38560958       0.86718254 
Hf       7.74037282       2.41109023       5.21879229       2.91928197       1.86543981       4.43489642 
Hf      10.19283165       7.68494268       7.62959521       1.61495524      -2.77209091       0.48595597 
Hf       5.02634325       9.93219082       9.94837963      -0.33975909       2.87252231       5.36159079 
Hf       2.44164085       7.81932303       0.02447542      -1.47559888       0.32999754      -2.30841887 
O       1.12158688       8.49282928       1.51867137       1.82187500       0.50491594       2.32763233 
O       1.12318925       5.51784721       1.32528938      -0.46055442       1.65556830       0.98032587 
O       4.55991224       1.63928051       5.91641486      -1.78637332       1.36884466       0.43644504 
O       0.81922778       0.41050258       3.72341962       4.38443634      -2.31438084      -0.17048190 
O       2.85511405       3.19650161       1.63641172       0.72645531       0.34483703      -0.74866917 
O       0.64750319       1.01649137       8.44841575       2.02087174       0.67474646       0.26047641 
O       4.00681177       3.95190420       3.92395892      -0.90358982      -1.65549583       0.68319107 
O       5.33344563       4.21115292       1.55686954      -0.44881363      -0.55346468      -0.05119413 
O       3.97919356       1.01544129       3.12723462      -2.25094698      -1.40673416       2.33144886 
O       1.19010721       3.23967332       4.06203060       1.60549057      -2.67015740      -3.57061713 
O       1.46340899       1.02535477       0.98500695      -0.94187690      -3.43091400       1.72100666 
O       3.71991470       6.51817437       1.06201233      -0.72005479      -0.63792333       2.47846551 
O       3.45956787       0.77236903       9.96825201      -0.93165838       1.49809380      -1.29012334 
O       9.48129217       1.40050043       3.99960862      -5.07609283      -0.30115656       1.91278176 
O       0.96335929       9.25301796       6.71836399       1.21056782      -0.21926121       1.66184380 
O       6.66603100       0.76022573       4.72019508       1.64362513       0.01866106      -1.09871323 
O       6.46292633       8.77256590       9.08464778       3.89460704       0.64239645      -2.44178725 
O       1.38784669       1.29972788       6.05957887       0.99519725      -1.39074873       0.08091707 
O       3.44419752       4.88111730       9.41559479       1.34024563       1.43477370       0.31230200 
O       1.07384604       9.02399710       9.84372045      -0.12301552       1.90213871      -3.23685588 
O       0.39817789       3.01245097       0.70196270      -0.21242001       1.85790089       0.01350176 
O       3.54600822       9.68356614       6.01872186      -3.28695904      -0.92090543      -0.11827489 
O       8.78484443       9.57563648       9.00872566       1.91183935      -0.72911785      -1.32107299 
O       1.31170687       6.74996710       8.73876918       2.61404674       0.40850599       0.56093479 
O       1.12513461       8.48119778       4.19179170      -0.32459411       0.63911791      -1.38371323 
O       4.12848553       6.34444047       4.15127285      -5.85938410       6.13181081      -6.63773783 
O       3.70824091       9.26126187       1.26214355      -1.35535777      -1.02981579      -2.01720110 
O       3.75404121       8.81572076       3.48851665      -3.55796284       1.78633355       5.38481441 
O       0.82255666       4.11826790       9.12486991       1.60113973      -0.82268105      -2.87623483 
O       8.08000562       4.37407617       0.74398627       0.35036623      -0.20030472       1.73003849 
O       7.02425742       1.93336733       7.37814319      -1.41957249      -0.54282055       0.31188351 
O       6.01936877       3.92744103       9.50783163      -0.50086794      -1.61484045      -2.26209959 
O       3.92148199       4.24771554       6.54818850      -0.16126597       0.89472158      -0.53603869 
O       1.33083667       3.94785995       6.33721649       2.05439931      -0.29941848       0.32000163 
O       8.65166046       3.85200893       8.87418412      -0.83834569       2.10595626       0.32287220 
O       9.17236480       3.78438199       6.38302893       0.26440929       0.01601214      -1.85603087 
O       6.44148820       3.91538648       6.15708125      -0.42889373       1.48043321       2.32243056 
O       6.54558377       0.79615410       9.52331166      -0.62053931       0.56499570      -0.12474135 
O       6.32399862       1.36784568       1.75280602       1.03367415       0.18312449      -2.08439827 
O       9.07690049       1.64448472       9.61359101      -2.43829543       0.74046187      -1.27783020 
O       6.29927986       8.97318579       0.95173688      -0.90903574      -0.06071854       0.52253169 
O       8.93892154       8.93406355       6.63526508      -0.82466792       0.57005271      -1.74784333 
O       0.79962542       6.43763664       6.27610529       1.73373996       0.72218998      -0.88655522 
O       9.37296763       6.70580183       9.31472092      -0.52826043      -0.15806603      -0.23337622 
O       9.09475217       6.87511041       1.40776733       0.36918550      -0.92586765       0.36224810 
O       8.76145059       6.35074594       6.86397343       0.45097358       1.68446959      -0.54355900 
O       6.52594196       9.37203258       6.17372785      -2.97052172      -2.21229530      -0.56840763 
O       6.74639886       6.48195870       9.11057790      -3.21678212       0.92702230       1.67206972 
O       3.73422639       7.04567189       6.59492584      -0.10268071      -1.68051889       2.47546407 
O       6.36990829       6.61843784       1.69977797      -0.88065058      -1.79542708      -1.64877502 
O       9.41588135       6.39944056       3.90734435      -0.88990382      -0.67435330       1.61728448 
O       9.00439799       1.74977030       1.52357729      -1.16657998      -2.00728782       2.08883757 
O       8.83067089       9.39693114       4.04425659       1.22857362      -0.02648082       0.27117336 
O       8.99531469       9.67005940       0.99200590       0.03635748      -0.38280073       0.71034574 
O       6.67772572       2.85137375       3.87821022      -4.70759029       2.89120942      -6.48098187 
O       6.56629764       5.67785573       3.99328651       2.70916116      -0.15122890      -1.10923722 
O       6.32940357       9.04540236       3.87116950      -1.09901924      -2.07258703      -1.67986260 
O       8.83573141       1.13143484       6.40210253       3.42620925      -3.70695373       1.04492280 
O       1.68599472       5.88892748       3.84725612      -1.07865583       0.08919000       0.05088050 
O       9.01487853       3.78833393       3.66142633       1.41578848       1.26895990       0.21488994 
O       4.17445360       8.23953280       9.35795533      -4.03407522      -4.79433675       1.84487600 
O       4.63553535       9.93404104       8.02322062       0.16486715       0.93330430      -2.33560491 
O       3.13542306       2.72215951       8.14600663      -0.32717688      -1.89078878       0.11349036 
O       6.29834743       6.93117208       6.14288992      -1.04995822      -1.43272926       2.26531014 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006454390668137753 0.004543342260458979 0.009578168006432066 0.004543342260458979 -0.04197339563376059 0.027170674914893878 0.009578168006432066 0.027170674914893878 -0.029620400443930883" pbc="T T T" energy=-926.98157612 free_energy=-926.98192366 config_type=crystal 
Hf      10.28304014       0.21472749      10.17132675      -0.80086562       0.03033667       2.90308361 
Hf       5.10298954       2.61308653       2.66470258      -3.32867191      -0.54592121       2.92471166 
Hf       9.60696622       2.46315172       7.75110371       1.89254311      -0.82358695       1.87707380 
Hf      10.31472970      10.34273055       5.43687294      -0.58362912      -1.09223155      -2.47937387 
Hf       7.60704348       5.29368883       7.87389872       2.30511339      -2.89059569      -1.56147331 
Hf       7.64985841       8.07468785       5.14005370       1.53849916       0.35331194      -1.68055037 
Hf       7.11834270       2.34854662      10.43156012       3.27304292      -0.67641224      -0.83175408 
Hf       7.91169646       0.40850364       2.79441679      -0.12110579      -2.72137667       0.33893298 
Hf       2.72344580       2.58550683       5.23711117       2.62618867       4.20397879       2.18725036 
Hf       5.16827382       2.95818184       7.50230655      -0.54774748      -2.36947962       0.46768590 
Hf       4.84412347      10.33111328       4.79798113       0.96666508       0.33687511      -0.27929689 
Hf       2.20008787       2.53204391       9.97509921      -0.02266387       0.53416064       1.60064644 
Hf       2.20161593       9.86761332       2.75834105       1.15575682       0.66958004      -2.16912743 
Hf       0.22138389       1.80821178       2.58885853      -1.46878120       8.06229617      -6.18168757 
Hf       2.39508636       0.07395260       7.59594345       2.59056021       1.71937720       0.22830005 
Hf       7.35157432      10.17906221       7.58402475       2.99702642       5.67682803       6.61195101 
Hf       2.38994850       5.25813138       7.78125412      -3.32646009      -1.50201454      -0.16945142 
Hf       5.09976721       5.36332444       5.22394417       2.41068370      -0.48901076      -0.42451737 
Hf       0.12916965       4.59118127       4.81350272      -0.93454484       1.07953240       2.95070900 
Hf       2.45410913       7.39209160       5.14881402      -2.96296191       1.43420734      -2.36802253 
Hf       5.23262264       5.50439835       0.21379746       1.77798332      -0.41162787      -0.47172012 
Hf       4.81948122       7.87218143       2.31266859       4.71755809       2.02240160      -1.48386341 
Hf       5.34636480       7.75982604       7.83818218      -0.79410211       1.53005168      -0.30375240 
Hf       8.22633534       8.13327115      10.17271624      -5.60440672      -7.35193446      10.84237604 
Hf       8.07342541       5.33021639       2.72912539      -0.90667033       0.23836017      -2.03870294 
Hf       2.87985217       4.93796279       2.48981520      -0.81034352      -0.30410948      -0.45493784 
Hf       0.27351143       7.11893613       2.61073372      -1.01316251       0.49803827      -1.07490193 
Hf       9.96693547       4.78207178       0.03331025       1.59412125       0.17605719      -1.14982012 
Hf       7.70703013       2.37508629       5.26057702       1.99588473       3.05671346       0.99927895 
Hf      10.21418427       7.70373286       7.62520611       0.90382231      -3.59794089       0.65496444 
Hf       4.98148282       9.92274445       9.99531750      -0.06969524       0.63793975       1.25711667 
Hf       2.44425154       7.86163935       0.02166619      -3.36617671       0.29317158      -2.69677159 
O       1.33690362       8.43215829       1.56416218       0.25887898       1.04068367       1.89615214 
O       1.02298418       5.65515663       1.35390554       0.53564981      -0.36473572       0.18773560 
O       4.39811891       1.56052800       5.97795821       0.37128484       0.88498713      -0.09478832 
O       0.86301888       0.56395214       3.70939481       6.59442442      -5.55929940       1.41093133 
O       3.01660616       3.26054188       1.50092676      -0.44710180       0.31151871      -1.21948391 
O       0.67780545       1.05039359       8.33366183       0.59528005       0.72061516       1.04669609 
O       3.86115063       3.98512308       4.01959362       0.87411308      -0.65249496      -0.80945053 
O       5.33108436       4.19463526       1.67153430       0.06061906       2.35363207      -2.48250109 
O       3.90481143       0.87330465       3.02183863      -0.74142762       0.45930466       2.64460191 
O       1.36532228       3.23341966       3.89790960      -1.82976394       0.02891586      -2.39290205 
O       1.59899380       1.01738162       0.90932826      -2.47775483      -2.65644835       2.21935191 
O       3.57960409       6.59536479       1.11741233       1.49996027      -2.09291999       1.98139246 
O       3.47814600       0.85261077       9.92530469      -0.06135579       0.47643388      -1.56842798 
O       9.47376959       1.22859791       3.98995972      -5.79797504       1.80611192       0.88532035 
O       1.10610957       9.36735251       6.74508734      -1.88541082      -1.99849319       1.07952352 
O       6.66143686       0.88711396       4.71215306      -0.86603680      -2.92100111      -0.74900991 
O       6.59188708       8.80455155       9.02747648      -1.18830890      -0.01337683      -2.19336296 
O       1.46416036       1.49826971       5.92493278      -3.28669261      -5.03250771       2.21424197 
O       3.46494300       4.92111734       9.31971455       2.32783688       1.07464231       1.99871954 
O       0.95141944       9.15924803       9.75547741       1.77882797      -1.29585717      -2.33010955 
O       0.28092160       2.93106800       0.65368829       0.51960702       1.91536318      -0.21665904 
O       3.41462685       9.69513233       6.06255692      -0.89021978      -0.25451434      -2.42802623 
O       8.68394743       9.34217314       9.11161070       6.65912829       8.67944327      -8.77097232 
O       1.25319558       6.65645799       8.69521137       1.74603097       1.86928581       0.28378253 
O       0.98941677       8.49040343       4.24449540       0.95355025       1.17339343      -1.64406564 
O       4.05372075       6.49297427       4.01176186      -0.80106051       1.10411732      -2.26617484 
O       3.67075349       9.28331186       1.13855992      -0.70205669      -1.56645664       0.42045902 
O       3.73721345       8.93879187       3.59542972      -0.86601680      -0.95847498       1.91600587 
O       0.80881862       4.17022777       8.96498154       1.02197270      -1.38371738      -0.37333488 
O       8.20167970       4.36909844       0.78674938      -1.29059253      -1.09110387       1.60691339 
O       6.98825034       1.93343902       7.41358959       0.18907135      -0.59605390      -0.94352376 
O       5.98552841       4.04915069       9.44363405       0.29948544      -2.47987102      -1.15032084 
O       3.99586276       4.17593154       6.46853443       0.61099702       2.12677336       0.01079622 
O       1.49608405       4.05464617       6.39054994       0.09527757      -0.49551978      -2.43274148 
O       8.67797071       3.82483113       8.86095254      -1.20655137       1.57638650       0.75997541 
O       9.30963707       3.81803260       6.44658053      -0.01982283       0.12272919      -3.10991839 
O       6.61656931       3.87150076       6.09912875      -2.45995205       2.89546264       2.20466477 
O       6.39625360       0.74902093       9.32541256       0.33449566       2.65623152       2.17316571 
O       6.21469947       1.41356884       1.79311481       3.05403401      -1.81673196      -4.60100516 
O       8.99864063       1.54295672       9.49318659      -3.02972330       0.57766919      -0.90198704 
O       6.27004128       9.03485515       0.89935470      -1.09382654      -0.64128375       1.19751638 
O       8.89499857       8.95016078       6.65410497       0.74484499      -0.34081165      -1.40129532 
O       0.80857047       6.48646188       6.04609150       0.49169523       1.10485189       1.59088334 
O       9.24113673       6.64210736       9.32787652       1.58419595      -0.60962146      -1.76930477 
O       9.11661250       6.87650053       1.36112460       0.70427990      -1.15876453       1.48183243 
O       8.70880162       6.34815084       6.79299543       2.09394908       2.48015878      -0.89841715 
O       6.61847782       9.39411333       6.18177144      -4.78400292      -3.24816049      -3.45224297 
O       6.87068781       6.54496648       9.07175384      -4.37642941       0.14686078       1.53739844 
O       3.69629626       7.17767140       6.51637491       2.26484107      -2.59126233       3.90224961 
O       6.41750742       6.53378135       1.68548051      -2.30992852      -0.00404887      -1.63252176 
O       9.46922307       6.38246124       3.89461787      -1.88417831      -1.56172834       1.77401946 
O       8.91749200       1.51899299       1.47546941      -0.84712853       0.25970031       0.96355473 
O       8.96599813       9.37032533       3.97584438      -0.84855330      -1.02070814       1.22175634 
O       9.07637938       9.59212577       1.01519042       0.31472512       0.17297805       0.65068873 
O       6.66023555       2.84935011       3.75558560      -1.55795010       2.37657718      -2.49875540 
O       6.57306958       5.52569047       3.89881597      -0.15924683       0.86299739       1.41803545 
O       6.37972224       9.16050879       3.77038230      -0.94699459      -2.55976765      -0.64632033 
O       8.81883676       0.94318705       6.23683485       1.81815437      -0.33102273       3.15748104 
O       1.59192399       5.86868752       3.84967967       0.18424361       0.03209321      -0.84442518 
O       8.88384181       3.72770626       3.67820250       2.73318106       1.11896069       0.67640594 
O       3.99872433       8.16467770       9.36277857       0.08490255      -3.13364603       0.47573527 
O       4.65883060       9.67779235       7.95381098       0.43667195       1.71872599      -0.79668010 
O       3.11977254       2.65671007       8.07298322       0.29238199      -1.23597682       0.86300242 
O       6.36966359       6.75375492       6.24787659      -1.67979653      -0.17305232       0.80531768 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01702189910646835 0.001176980655889496 0.01056562729117062 0.001176980655889496 -0.03743406378009233 0.016596279064865507 0.01056562729117062 0.016596279064865507 -0.05927730522779578" pbc="T T T" energy=-930.1468004 free_energy=-930.14688775 config_type=crystal 
Hf      10.12266070      10.23793459      10.36600466       3.13466289       1.67939243      -2.80034302 
Hf       5.49476526       2.44448965       2.85066613      -4.47600794       2.13533374      -1.21228653 
Hf       0.13121841       2.58800951       7.94169154      -1.11341983      -1.80983264      -3.10366494 
Hf       0.01008680      10.42748396       5.13456345      -1.95970208      -0.10364701       3.72038456 
Hf       8.17725085       5.19696356       7.59106160      -2.98917207       1.81482048       1.12475030 
Hf       7.76035542       7.92823787       4.92762333       0.60116649       1.01779506       0.88419702 
Hf       7.31808458       2.14815898      10.28974112       1.49717230      -1.84791604       0.70661506 
Hf       7.15020254      10.13565229       2.58926985       3.76754085      -0.10189650      -1.49109752 
Hf       2.87997703       2.74399451       5.52650453      -4.33713801      -3.85315928      -5.58061905 
Hf       5.32577401       2.48384183       7.70005231       4.16043426       0.68975351      -3.62739187 
Hf       4.74370049       9.98069004       5.15758469      -1.96179572       0.90898351      -2.69541810 
Hf       2.33990102       2.83507117      10.11010900       2.70654190      -8.12003894       5.48059739 
Hf       2.27167406      10.34872706       2.69860919       6.62661493      -1.42244443      -4.92478986 
Hf      10.14530558       2.22689641       2.23988810       1.41197738      -0.29394471       0.09924004 
Hf       2.71254494       0.48680986       7.77930374      -1.66222167      -4.03708838       1.76272415 
Hf       7.93512892      10.36296161       7.71625493       0.40546907       0.55960977       0.47711483 
Hf       2.50354152       5.35482442       7.61919882      -3.00651451       1.02018525      -0.80147203 
Hf       5.00885214       5.50374097       5.25131914       1.36914618      -0.93191014      -0.92812081 
Hf      10.32477055       5.17050072       4.77284886      -0.36225026      -1.77025514       1.14119888 
Hf       2.23953665       7.81817897       5.37262156      -1.37696912       1.03844328      -2.04799322 
Hf       5.09889883       5.18150655       0.10488922      -1.60206846       1.37834200       0.14267950 
Hf       5.17831489       8.05203428       1.94417138      -5.80868928       0.07030695       3.15959662 
Hf       5.41510659       7.52310571       8.15243434      -2.25850058       1.66730755      -0.74942249 
Hf       7.78230419       7.50056696       0.13633272      -0.00502528       1.48978602      -3.42628806 
Hf       7.52585602       5.22194177       2.54053912      -0.65258265      -0.87426393       1.80547051 
Hf       2.60661255       4.95478114       2.42500284      -1.48885171      -0.12331429       2.43708830 
Hf      10.32630605       7.67412460       2.45451920       1.86531088      -0.35484483       0.57509716 
Hf       9.97787128       4.84143742       0.17084627       1.44448706       3.05794963      -2.83336053 
Hf       7.67857912       2.29041578       5.02824528       3.12805182      -0.45007910       2.38623411 
Hf      10.33839912       7.54779108       7.82565090       0.61204692       1.01101542      -1.30406812 
Hf       4.66713291      10.37819098      10.18963569       2.72654306      -0.46121871       0.57258803 
Hf       2.10274153       7.79704405      10.31497241       2.94935030      -5.30566465       3.69752221 
O       1.48159768       8.75747961       1.64895295      -0.70045531      -1.75471309       0.51342902 
O       1.03625658       6.00197186       1.24978642      -0.75608665      -0.34802399      -0.75241460 
O       4.18073437       1.09212536       6.65964840       1.37535370       2.48230659      -3.31956422 
O       1.49674510       0.57283972       4.13605803      -2.15060681       3.72540429       2.67833674 
O       3.29991342       3.82552159       0.85284207       2.41217396       2.45736420       2.86104123 
O       1.17165571       1.35502113       9.20172217      -0.24949326      -1.41460279      -1.39732039 
O       3.96266523       3.81817515       3.92593944       1.17484415      -0.45298507      -0.30783515 
O       5.99713490       3.89278807       1.32029501       0.80975528      -0.09751930       0.41330772 
O       4.08264075       0.98034436       3.70578198      -0.57426932       1.11104662       0.57114110 
O       1.58462151       3.28338761       3.06212743      -1.38112066      -0.12062456       0.11315832 
O       1.01023740       0.80470457       1.45365544      -2.29284222       0.90313601      -0.45544159 
O       3.76679333       6.10657661       1.31725887       1.72203933       2.25525117       0.57535954 
O       3.65297351       1.18538779       0.55099980      -3.98134222       3.29139326       1.97347254 
O       9.04203308       0.91076014       3.80656667       0.70725197       1.42102817      -2.25601468 
O       0.64133995       8.94804870       6.70942470       2.27252303       1.77490995      -1.95591914 
O       6.41164875       1.02146909       3.70689674       1.88360966       0.76367825       5.37403611 
O       6.91210392       8.67586700       8.48430299       1.47036626       0.43781284      -0.46198594 
O       1.47116591       1.49141121       6.52536977       1.47225031      -1.95690273       0.71485639 
O       3.75994572       5.24163958       9.05430250       2.70119024      -0.23419748       0.35487626 
O       1.66155666       9.31741251       9.56948320      -1.90904679       4.37996510      -2.67425913 
O       0.50316413       3.17664817       0.39300602      -0.07052208      -0.07588683       1.97504488 
O       2.94662443       9.71339449       5.75576256      -0.59316227      -0.00545933       4.98808441 
O       9.69116104       9.43521954       8.37212260      -2.46002387       0.70286323       2.18920928 
O       1.31379205       6.48748789       8.98729737       0.09546535       0.36838687      -0.20966789 
O       0.42056677       8.58374676       4.32750126      -0.93342367       0.08304729      -2.25019004 
O       3.49162846       6.33125965       4.46212308      -1.17663504      -0.10549053      -1.10300834 
O       4.30416269       9.77821617       1.56257592       0.06083138      -2.85680741       1.41335654 
O       3.20178024       8.92243142       3.82527595       1.75488509      -2.00910910      -1.61589260 
O       1.78793069       3.72630986       8.70260752      -2.63520675       3.64139685      -6.14653218 
O       8.58075102       3.64317537       0.57310305      -2.50220346      -1.05058977       2.96925950 
O       6.93592918       1.53947577       6.66304374      -1.49388294      -3.91923011       2.33399913 
O       6.45249927       3.40320383       9.01617728       0.14825688       1.30861467       0.77053345 
O       3.68395734       4.11850182       6.37426118       2.64353856       2.37300683       3.65370623 
O       1.01566852       3.63561731       6.29046408       1.14605315       3.12055556      -1.77816128 
O       9.30895771       3.84071935       8.73604901       0.18083546       1.93044595      -0.28062742 
O       8.94643931       4.47794106       6.10662130       0.50607826      -1.67500115      -1.44742696 
O       6.38104244       3.58985657       6.06318322      -2.22410699       1.96808048       0.70084737 
O       6.37074904       0.42190163       9.21239320       1.74208507       3.36595260      -0.55375328 
O       6.23511557       1.22771509       1.38281549       1.08444879       0.30208647      -1.35453477 
O       8.83528942       1.22297620       9.11404242      -0.06641050       0.17916186      -1.16850603 
O       6.72891162       9.00045171       0.93646304      -0.68054627       1.43412370      -0.33155201 
O       8.50060818       9.75165745       5.58071652      -1.73075715      -2.19515435       1.08612642 
O       1.00764220       6.47758194       6.45712596      -0.89156837      -2.25162144      -1.07106908 
O       9.22765313       6.47466219       9.14139165      -1.93718531      -1.64014931       0.78664054 
O       8.83823335       6.32492383       1.19130632       0.84806034      -3.17419207       3.20077345 
O       8.76480762       6.97837538       6.57324353       0.41659678       0.62331364       0.60365640 
O       5.92162525       8.42809081       5.55059312      -0.78878889      -0.85368297       6.51406084 
O       6.50027633       6.42101862       9.41670221      -0.36635501      -2.32922498       0.70762272 
O       3.36146033       6.98982289       6.78825654       3.45201755      -0.09302370       2.47350366 
O       6.32682826       6.69863091       1.38225670       3.51848088      -4.25818580      -2.99189543 
O       8.61248317       6.27755486       4.10391895       0.68765835      -0.83453350      -1.47579528 
O       8.93832508       0.86288345       0.97789527      -1.70018692       1.18064659       2.65950099 
O       8.48476570       8.53548324       2.86681777      -0.37093492       0.71618172       1.19050980 
O       9.71606390       8.44314759       0.53748762      -0.86967961       0.23762025      -0.25606029 
O       6.94393875       3.64375154       3.78201077      -0.64825989      -0.56698986      -2.60099116 
O       5.91495786       6.00711516       3.46430132       0.51344983      -0.00579527       2.49390737 
O       5.94068639       8.82165322       3.68724247       1.61218754       1.91260505      -6.16170362 
O       9.37320322       1.63905559       6.26048072       0.85995712       0.09063328       1.03981740 
O       1.01850716       6.26538329       3.66691083       0.43949827       0.18684340      -0.44595256 
O       9.44844881       3.95857420       3.33905272       0.14357506      -0.47509832      -0.93537243 
O       4.13252077       7.83748503       9.91100912       0.56219133      -0.92039141       1.41822020 
O       4.12936741       9.61450303       8.53177380      -1.35308932       0.20503219      -4.32598650 
O       4.10132344       1.82147957       8.97798234      -3.41757084       0.70753623      -0.90611410 
O       6.32887597       6.24876402       6.86817257      -0.90765512      -1.65497993      -1.02770435 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.036769901667011023 -0.014336088463537268 0.009232407250215693 -0.014336088463537268 -0.04056453290246388 0.015876607722124115 0.009232407250215693 0.015876607722124115 -0.05164090147482447" pbc="T T T" energy=-930.49872985 free_energy=-930.50443909 config_type=crystal 
Hf      10.17681930      10.16569750      10.40252751       0.84356085       3.15762064      -2.78358688 
Hf       5.50128444       2.47042458       2.82372445      -6.73696229      -3.69108371      -0.05603767 
Hf       0.23421095       2.61808236       7.93435390      -2.19971651      -1.23261712      -2.30385113 
Hf      10.42479341       0.01892163       5.15096681      -2.94441832      -2.14980356       2.90800183 
Hf       8.17878792       5.21922423       7.62223120      -4.24939606       0.87914511       0.47037306 
Hf       7.81018290       7.91184707       4.90047213      -2.37822288       0.61753808       2.39358445 
Hf       7.33607409       2.20888063      10.33559051      -0.15051800      -3.05644315       0.88218874 
Hf       7.18084611      10.06498084       2.51521416       3.09842931       3.04867084       0.78742292 
Hf       2.81843368       2.69033566       5.43236504      -0.65119687       0.29206686      -1.28066597 
Hf       5.40578435       2.41507659       7.73109632       5.09972101       2.10620282      -4.05348381 
Hf       4.71242351      10.02688942       5.21582669      -1.51472847      -2.71422946      -1.87985988 
Hf       2.38910357       2.82532725      10.22805240      -1.38649676      -3.31724018       0.01106648 
Hf       2.29550999      10.43164710       2.61290536       3.65684290      -1.64215010      -0.25868839 
Hf      10.13931409       2.28602290       2.25256424       0.21416532      -0.06263960       0.10756743 
Hf       2.68691615       0.44877998       7.76811893      -0.07061325      -4.30125987       0.86983191 
Hf       7.96767807      10.31667484       7.70493521       1.16696817       0.09417069       0.28006245 
Hf       2.50158183       5.40219674       7.52622223      -2.70122501      -0.24467721       1.02577939 
Hf       4.97053329       5.45590457       5.22391560       0.59354906       0.62486911       2.10165270 
Hf      10.28600186       5.23992637       4.79586842      -0.35770088      -1.04479105       0.30666900 
Hf       2.22638053       7.83202827       5.40485223      -3.78340884       4.82791605      -1.07670547 
Hf       5.10915434       5.11774856       0.08728162      -1.28385210       1.63452400       0.26438794 
Hf       5.17201811       8.04366509       1.94204025      -2.87163252      -6.13263430       0.85954210 
Hf       5.44774062       7.56114145       8.19578011      -2.83285856       1.32773927      -2.78996060 
Hf       7.74338583       7.43639544       0.09657550       1.22182353      -0.87655381      -2.80513095 
Hf       7.44619160       5.10208631       2.54650611       1.91193467       1.07091751       1.73715543 
Hf       2.58019513       4.99309915       2.45117671      -1.70345303       4.07445557       3.80849687 
Hf      10.24982471       7.75307460       2.39049693       0.56190444      -3.95569961       3.78566904 
Hf       9.96920873       4.84929210       0.06560507      -1.82307140       4.51883622      -1.21389271 
Hf       7.74076876       2.29416205       5.01706549       2.43437227       0.42861118       1.29857880 
Hf      10.34493316       7.53904123       7.85312656      -0.51856226       2.31789092      -1.79664997 
Hf       4.69133076       0.00957574      10.22461415       1.57655752       0.36096494      -0.76439661 
Hf       2.13835424       7.74579735      10.40905298       1.69702789      -5.14903215       1.20079268 
O       1.34814609       8.56460052       1.72475943       3.35626788       2.77345634      -1.44418266 
O       0.85502805       6.01531197       1.14969543       0.94484167       0.24877361      -0.60593929 
O       4.27595345       1.12393759       6.53028962      -1.07119938       2.10536487      -1.11382610 
O       1.44378414       0.52805485       4.19931847       2.73227732       3.79112399      -2.46026259 
O       3.19886770       3.91158871       1.05178266       3.34938287       0.37335587      -0.79947331 
O       1.18947955       1.47644109       9.20785453       0.75145908      -2.54116389      -0.65661005 
O       4.07565058       3.77699170       3.93026669      -0.96610131      -0.17226516      -0.03468584 
O       6.03711579       3.63137787       1.29398079      -0.97350493       2.29608192      -2.42498854 
O       4.05545375       0.90981285       3.86121468      -0.41453135       2.69405315      -1.16899881 
O       1.42463120       3.60890359       2.95717342      -0.22091034      -3.54125961       1.49660174 
O       1.12843596       1.00998349       1.35140391      -2.35471194      -0.58030375       0.58289931 
O       3.78340414       6.35235470       1.41258460       1.48967003       0.52710640       0.52628323 
O       3.37278518       1.24014213       0.58464727       0.74385675      -0.31067598       0.98426208 
O       9.13078510       0.99771260       3.60191165       0.55080286       1.61245834       0.20879835 
O       0.50605103       9.11411924       6.52621105       1.07084716      -0.82666913       0.63412876 
O       6.66096306       1.00418730       3.85972251      -1.18893869       0.52963499       2.13315514 
O       7.08000343       8.61364074       8.49156821       0.23918560       0.83637762       0.74111619 
O       1.34890615       1.21435300       6.53715283       2.53177870       1.70539763       0.55877021 
O       3.77425082       5.42943607       9.14025544       1.11829943      -1.27576804      -0.06116710 
O       1.59159723       9.23112675       9.50023358      -1.53039926       2.79867872      -0.92116640 
O       0.45161077       3.31969914       0.39880147       3.12317677      -2.56147430       0.97103347 
O       2.95841220       9.57698108       6.13068885       1.62921498       0.79919276       2.24952410 
O       9.71719027       9.32843499       8.40137427      -2.23719152       1.55712910       2.81026451 
O       1.12578006       6.40124514       8.90549480       1.60826711       0.15953255       1.41667719 
O       0.39706261       8.68964251       4.14414987      -0.70611522      -1.18736030      -1.84556995 
O       3.26274952       6.51210010       4.73786747       3.60177477      -5.49846536      -4.86163618 
O       4.24801445       9.59070415       1.49198936      -1.98964213       1.21158776       0.21286135 
O       3.24090310       9.07592504       3.90225851       0.77635459      -1.49241206      -0.69118813 
O       1.99970839       3.74657494       8.53610922      -0.96007061      -1.93325959       1.13694327 
O       8.53298516       3.42172157       0.51983763       2.39677905       3.55122329       3.78891934 
O       7.05639860       1.53152794       6.64353307      -1.77816855      -2.15571640       2.49627354 
O       6.43359931       3.48151277       9.10259386      -1.04097402       1.20280472      -0.43921842 
O       3.80431581       4.21087797       6.44200764      -1.77944531      -3.05170525       0.54934197 
O       1.00130219       3.70530556       6.41594754       2.10623398       1.52237031      -3.70502736 
O       9.25256164       3.81466971       8.69884125       1.10628903       1.47318340      -0.43907582 
O       8.95043311       4.48350071       6.09933148      -0.58455663      -2.07171978      -0.77905880 
O       6.19351713       3.71878760       6.03509487       0.26533813      -0.76372436      -0.25094879 
O       6.50486701       0.69726997       9.24808734      -1.26406144      -0.42697525      -1.38515363 
O       6.27699094       1.21636125       1.52071594       0.24175376      -1.60099604      -3.18455784 
O       8.96553981       1.12458262       8.97659725       0.04328491       0.41386758       0.76077786 
O       6.66086750       8.92993704       0.83061438      -0.92216785       1.63515478       0.72952970 
O       8.39915104       9.67271080       5.56750786      -0.53398335      -0.65456898       1.24510247 
O       0.83859391       6.62460421       6.31846095       0.13185227      -2.84451547      -0.34094416 
O       9.02595218       6.53463759       9.21354375       0.15152044      -1.59618850      -0.41263787 
O       8.69596588       6.10848407       1.22582186       3.40373657      -1.47698457       0.98863545 
O       8.69228868       6.94357045       6.80554932       0.58288749       1.27142924      -1.82118762 
O       5.93354133       8.30488574       5.87226204      -0.52412241       2.83750310       0.30429520 
O       6.35009661       6.32471409       9.41852731       0.82280509      -1.34395356       1.21090793 
O       3.38189736       6.89141842       6.83353552       3.09511840       2.76111232       2.96686359 
O       6.59270983       6.38291945       1.39160050      -4.75867050       1.79447131      -1.90161531 
O       8.51685780       6.21707529       4.02298791       0.90314521      -0.06788894      -0.12335133 
O       8.96862807       0.92728428       1.19195564      -0.61312538      -1.60157177      -1.76319842 
O       8.50033481       8.65940702       3.02267006      -0.70727180      -0.11664277      -0.08997481 
O       9.56424549       8.42859371       0.61780639      -1.12107921       1.15794105      -1.16430423 
O       6.79814888       3.51875769       3.44233873       4.75197938       0.59827458       4.78060600 
O       5.80694866       6.06142385       3.61784874       1.70486424      -0.06703318      -0.90569934 
O       5.89141917       8.81895608       3.57120936       1.92275473       1.59049305      -0.55836571 
O       9.51566087       1.50398122       6.12504338      -1.82080574       2.45883801       1.36749099 
O       1.00674011       6.16472064       3.64864103       0.59244596       1.59056782      -1.35640341 
O       9.65421368       4.06279830       3.27356780      -2.70564585      -1.43058536      -0.56323188 
O       4.05905506       7.82843868       9.89035983       0.49933305      -2.17055344       2.45334119 
O       4.11649618       9.42967695       8.67041506       0.27335838       4.14498661      -3.44933668 
O       4.16152900       1.61593041       8.87032785      -3.89017274       0.47736966       1.53016016 
O       6.21061597       6.27546026       6.82985246      -0.00094918      -2.98111071       0.00083010 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04675561499118337 -0.01900729470437171 -0.0020504503731677472 -0.01900729470437171 -0.047017459499805986 0.0003560591963420067 -0.0020504503731677472 0.0003560591963420067 -0.03093151526281465" pbc="T T T" energy=-920.09225457 free_energy=-920.09358462 config_type=crystal 
Hf       0.21454475       0.21684533      10.46198620      -2.10053236      -2.72999123      -3.81892014 
Hf       5.23711410       2.13310178       2.84514971       3.71299200       4.31231901       2.11713762 
Hf      10.46255211       2.37743417       7.85960158       2.17394096      -1.62542670      -3.70232533 
Hf      10.25642281       0.07270346       4.99353601       1.71917396       0.28692794       3.22580688 
Hf       7.41537691       5.22461369       7.83536175       2.34822594      -0.26116459      -2.68988571 
Hf       7.44604465       7.84053687       5.29629021      -0.86514127       1.47216861      -0.76242089 
Hf       8.05334203       2.73225750      10.10706239      -3.81706745      -4.28247113       1.40944288 
Hf       8.02920509      10.39116342       2.39587038       0.47476918      -1.65005618      -0.30724582 
Hf       2.20496972       2.51708771       4.83604356      -1.39622656      -2.56189737       0.33499567 
Hf       5.30854832       2.03426799       7.88769035      -1.32932501      -1.46052274      -3.30646121 
Hf       5.15721544      10.19631553       4.80472796      -5.29868887       5.52039750       8.68362973 
Hf       2.56382128       3.00580064      10.43403643      -0.58041891      -1.57003691      -0.52479398 
Hf       2.16683591       9.91968413       2.30528092       1.19091910       2.30574174       2.72728428 
Hf      10.35655012       2.66486742       2.25454853       0.28354644       3.13367811       4.42692704 
Hf       2.81574188       9.92676839       7.84128813      -2.26485285       6.70865764      -4.38712674 
Hf       8.02059978      10.12353577       8.01753067      -1.87364729       2.22773589      -2.20473418 
Hf       2.59127926       4.81397495       7.56550198       0.25774116      -0.02394962       0.60550013 
Hf       4.94390623       4.86863112       5.26184301       1.86096612       1.03660360      -0.73324077 
Hf       9.89422133       5.76077807       5.54716826       0.83012830      -3.87505517      -1.64948665 
Hf       2.14014668       8.00483224       4.95665532      -3.07247771       4.10994381       1.27802129 
Hf       5.15226001       4.71367327       9.83106985       3.24211308       4.12859995       2.88182720 
Hf       5.03817289       7.93124366       2.39583176      -1.46582120      -0.28556587      -1.08532094 
Hf       4.99009357       7.86317924       7.32456158      -2.87673762       1.96200877       1.55385664 
Hf       7.31712535       7.56024785       0.24517733      -0.23530731       0.50965305      -1.37283228 
Hf       7.66607976       5.05387554       2.65459725      -2.77694829      -0.88191637      -2.06354292 
Hf       2.47737131       5.63925345       3.33330751       1.13467830       0.64860244      -2.79149992 
Hf       9.72270229       7.38911480       2.37790358       4.12114648       0.33102732       0.00984985 
Hf      10.41873631       5.29482138       9.77416355       0.03881337       1.68620375       3.70852453 
Hf       7.82311651       2.49787815       5.14057335       0.70555292       0.24711031       2.59273659 
Hf      10.40751476       7.86170298       7.86774041       3.85771064      -0.64443046      -1.80067855 
Hf       5.09426701       0.33388518       0.24226877       1.19905189       0.58592715      -2.14621451 
Hf       2.23620787       7.40488035       0.11400999      -0.56395279      -1.24158262      -2.57616993 
O       1.10878263       8.73330540       1.29420811      -2.26906018       1.37478129      -2.74681610 
O       0.70975196       5.94922179       1.03447691      -0.24062213       2.57735531       0.19471748 
O       4.05418367       0.96185341       6.77792787      -0.37986020      -0.20918307       0.29998465 
O       1.10928826       1.25831062       3.24342326       2.13845304       0.61935307       0.48537589 
O       3.29680967       4.82736122      10.18764135      -3.20940414      -0.48868305       2.73226260 
O       1.03733983       0.74302108       8.73284876       0.24902005       1.54543577       0.67360231 
O       4.20137843       4.10835850       3.64820626       1.16142019      -0.36956145      -2.43265520 
O       6.08929461       3.85287134       0.93752358      -0.97244354      -1.43393948      -0.97350142 
O       3.91593752       1.53060032       4.18187403       0.54363127      -0.41911441      -0.17052832 
O       1.66018915       3.99698777       3.27922865      -2.19287815      -3.83505141      -0.49853205 
O       1.81915524       0.82735123       0.76640162       0.43785689       1.27414013       0.81698560 
O       2.77529002       7.30831815       2.00438154       3.01531923      -1.49031843       4.67680889 
O       4.17045845       1.62431227       1.50551766      -2.15978267       1.14451399      -2.89458797 
O       9.34940559       0.95674695       3.46763836      -3.25432992      -0.26871001       0.04420404 
O       0.76362138       9.31935368       6.35764505       0.63850794      -2.85865197       0.16848268 
O       6.45409600       0.41620467       3.67154422       1.88495684       3.19824861      -2.05842779 
O       7.35583605       8.84626459       9.20824073      -0.82338551      -1.49360554       1.61553699 
O       1.46475871       1.18451260       6.18166029      -0.31021456       0.97401222      -2.02452941 
O       4.32484808       3.89810155       8.33690080       0.12059031      -1.67892331      -4.26974929 
O       1.91321655       8.73347192       8.90569209      -3.32406728      -3.28536055       2.61291077 
O       0.68861997       3.75014820       0.47582119       1.16610176      -3.89823851      -0.07161609 
O       3.53361215       8.82901566       6.21181247       0.18957375      -0.98236176       0.77593025 
O       9.88571713       9.36012058       8.74617820      -2.03359703       1.54327679       1.50451939 
O       1.44711364       6.24809261       8.81879176      -0.80585859      -1.03960122      -0.84344643 
O       0.69975831       9.09410002       3.71719223       1.47289090       0.04431896       0.19992235 
O       3.36071681       6.47612013       4.96232371       1.63724809      -1.14165830      -0.59464920 
O       4.07676649       9.75532743       1.48890078      -0.88956663      -2.66959901      -0.03596860 
O       3.56707741       9.37852570       3.76899626      -1.92738333      -1.33678913       0.25972752 
O       2.01102810       3.11062905       8.41079092      -2.27212553       1.69760705       1.24452199 
O       8.52587338       3.90608255       0.96882568       1.88832008       0.90532948       3.59649768 
O       6.49458847       1.08092182       6.34032495       1.69106536       0.33731744      -0.18208103 
O       6.82938912       3.28235449       8.56952309       0.29035183       4.28931498       0.10146466 
O       3.08568820       4.00522687       5.70760852       0.94239975       2.07449089       3.33929404 
O       0.57331039       3.67899364       6.30239680       0.99202722       2.77087425       0.67283829 
O       9.15246122       3.96664794       9.09833559       1.36962855      -0.79343352      -3.95884690 
O       8.57948743       4.42978890       6.24583788      -1.80132996      -0.89078626       0.50477970 
O       5.99993179       3.33923598       6.06439667       0.03229458       2.54182554      -0.92363896 
O       6.44171825       1.06718054       9.27109079       0.04563554      -1.46194222      -0.25716363 
O       6.88103396       0.96763295       1.30703151      -2.42581266       2.47615963      -1.27868858 
O       9.06694682       1.17925909       8.89519596       0.00078194       2.27042283       1.45600889 
O       6.51383309       9.08561088       1.37497285      -1.07381952      -2.25121025       0.56243309 
O       8.47937886       9.96124583       6.00444094       1.42276549      -3.11713323      -1.19015788 
O       1.05846847       6.68075255       6.18892017      -0.05293601       0.05780240       3.45916883 
O       9.13155583       6.61790825       8.76470474       0.80639118      -1.84059027       2.78432704 
O       8.61570038       6.23605627       1.12444520      -1.30972759      -0.16806896       1.35057337 
O       8.53321437       6.92861278       6.73726207       2.07324139       0.78926511      -3.05551157 
O       6.39356169       9.07165693       6.88738548       2.40839358      -0.07036440      -2.49089153 
O       6.58158143       6.22459034       9.24026689       0.58827434      -0.63029903       1.74218600 
O       4.47832842       6.36304738       8.28207445      -3.58657247      -4.46457255      -0.72808185 
O       5.55863880       6.27605348       1.48030406       1.85750176       1.76595797      -1.21179937 
O       8.79625719       6.19819511       3.85719744       0.27582685      -0.35993062       1.05706159 
O       9.38674753       1.48021907       1.13631303      -0.25980985      -3.33709170      -3.33633128 
O       8.54581358       8.53548774       3.54790281      -1.37876176       1.58244963       0.55719299 
O       9.08350550       8.53259561       0.93672783      -0.80724298       3.31758680      -0.28215001 
O       7.45465477       3.27306720       3.31393614      -7.67702763      -2.53186751       0.15180946 
O       6.16666620       6.13230943       3.82829147       0.53680611      -0.61367298       1.26143194 
O       5.81440803       8.64563151       4.20350443       2.70491859      -5.84080921      -1.28427949 
O       9.48472006       1.68703359       6.15939429      -1.33176908       0.92388348       0.39877491 
O       0.81483459       6.54236992       3.96826674      -0.04633963      -0.32575755      -1.68560620 
O       9.27884603       3.42019277       3.87853886       6.26039747       1.20408949      -0.68846820 
O       3.97827400       7.51896057      10.09675894       1.44351817       0.47546113       2.18337460 
O       4.40016024       9.38822986       8.57566476       2.83133338       0.52288776       2.50728521 
O       3.72057742       1.75826623       9.46191766       2.67153534      -2.47234399       0.47315899 
O       6.08294162       6.48621697       6.44686553       2.39376267      -2.40359527      -1.96041489 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.027097936891827604 -0.0036895224679089266 0.005429773507527641 -0.0036895224679089266 -0.02988536399070142 0.0075102095697737944 0.005429773507527641 0.0075102095697737944 -0.020906202284536546" pbc="T T T" energy=-926.721953 free_energy=-926.72218296 config_type=crystal 
Hf       0.23775637       0.15952959      10.36260566      -1.48234156      -1.66490983      -0.58608382 
Hf       5.31372962       2.27099198       2.70204776      -2.47587198       0.10224276      -1.73944177 
Hf      10.35064855       2.40079651       7.75307942       3.39592573       1.17104550      -1.51424655 
Hf      10.18038263       0.10525512       5.07837230       1.10817916      -1.27090129      -0.96115464 
Hf       7.44861421       5.20573340       7.88181902       3.91427450      -0.31987586      -2.23528479 
Hf       7.50356291       7.90029395       5.29777578       0.97845205      -1.58473828      -3.29699375 
Hf       8.05471258       2.74807120      10.05073948      -1.27906775      -0.64701182       2.26546007 
Hf       7.99701703      10.37524223       2.45431281      -0.54275781      -1.74047713      -3.77726276 
Hf       2.23598976       2.41072694       4.92418268      -1.12631809       3.08337858      -2.68845266 
Hf       5.08648277       2.01202878       7.87147067       4.78967479      -1.89096444       0.57384648 
Hf       5.05592869      10.29612572       4.92966529       0.12555274       2.00529627      -0.18293304 
Hf       2.62886055       2.92413330      10.39946897      -1.46584277      -1.75625836       1.64996048 
Hf       2.16760884       9.92798938       2.35201795      -4.37825450       0.71044526       2.30870769 
Hf      10.32714638       2.60335882       2.34466125       3.65802945      -0.66158228      -2.90959503 
Hf       2.79812193      10.07226845       7.67560379      -4.05293146      -2.82165010       3.61403196 
Hf       7.94558936      10.14497777       7.88000700      -0.90229247       1.37154601       1.86076087 
Hf       2.63842164       4.75848483       7.68700839      -2.30280622       2.62134854       3.72265433 
Hf       5.07299027       4.90739646       5.17662418      -0.89256070       3.42025157      -1.91913750 
Hf      10.00297499       5.71324205       5.54930693       2.18357547      -5.75382324      -2.02468170 
Hf       2.15791452       7.98278048       5.05892150      -3.12360563      -1.41164222      -3.38171216 
Hf       5.19831684       4.77833597       9.85118903      -1.75127352       1.54108745       1.89633536 
Hf       5.05764274       7.94203797       2.33957102      -3.01331137      -2.91101848      -0.93733240 
Hf       4.96892673       7.80037105       7.26659506       1.80611059      -2.37376495       5.89913342 
Hf       7.32587635       7.66412698       0.30957826      -0.97507450       0.99254644      -2.12448067 
Hf       7.55223461       5.05600886       2.69086285      -1.08996875       0.33700633      -2.26641166 
Hf       2.58591051       5.55499123       3.22100424      -2.38252341      -1.43502181      -1.78737467 
Hf       9.73605099       7.35625753       2.41753772       4.97720032       3.34392401       0.62017146 
Hf      10.37102142       5.26905851       9.80986439       1.95742642      -3.24224213       4.40326766 
Hf       7.79780254       2.47608784       5.17365795      -1.09897461       1.45742962       0.33935597 
Hf      10.40506086       7.90225375       7.92238182       0.93484062      -1.29986808      -1.09505201 
Hf       5.11339116       0.23792184       0.30500035       0.99653172       1.51378937      -2.10021529 
Hf       2.27575399       7.40493038       0.10861184      -0.14184484      -0.03624956      -0.35582549 
O       0.86635540       8.97818235       0.85910034       2.94113061      -2.21964923       0.40913490 
O       0.83503896       6.23147500       1.27542118      -0.68359788       0.33966755      -2.33063942 
O       3.99990837       0.72947436       6.90011311       0.81537254       2.12040277      -4.48851612 
O       1.24121575       1.25636725       3.49305647      -0.65831646      -0.76916795      -0.22565805 
O       3.12863762       4.88760100       0.03789173       1.65913902       0.01733901      -0.31766299 
O       1.09778465       1.12849499       8.89156021       0.60371309      -2.01481705      -2.04976375 
O       4.28451616       4.18640307       3.41669528       0.03720502       0.31557377       0.30614477 
O       6.11247462       3.56642013       0.66687518       0.18098660       1.57119991      -0.30288976 
O       3.88832748       1.43416329       4.31235458       2.18057183       0.00540595      -0.63195775 
O       1.35593190       3.82441092       3.10195645       2.90149059       0.69804077       1.43308184 
O       1.90060760       0.68687106       0.83614126      -1.96144377       2.89965103      -0.31682058 
O       2.95336446       7.41166392       2.45617945       1.11120632      -0.43129601      -1.34561388 
O       3.76289614       2.23009823       1.39573538       3.09782554      -1.11585082       1.73908986 
O       9.04206281       1.01751507       3.57730540       1.39000044       0.30327802       1.93335576 
O       1.13444115       9.08350058       6.29804234      -1.41268199       3.50983362       1.00743435 
O       6.53678013       0.80140437       3.74563193      -2.33694255      -0.66291588       1.16705888 
O       7.70201933       8.92547101       9.45399360      -3.07973508       0.79256724      -3.40774808 
O       1.23450242       1.30069716       6.02606714      -1.28583211      -2.31390930       2.23881626 
O       4.33274954       3.71896165       8.21834335      -1.11430732       0.59495662       2.04440235 
O       1.70265241       8.29173894       8.63336785       2.45281105       3.44546224       2.06227977 
O       0.85882686       3.45041706       0.54245603      -0.99063777      -0.39251933       0.14005162 
O       3.59921116       8.57892456       6.32942807      -0.42267088       1.88878305      -0.71330746 
O       9.70084677       9.50427249       8.82260920       1.68201254       0.22619575      -2.20384173 
O       1.24119346       6.19395462       8.62035637      -0.36588807      -2.73742488       2.45816300 
O       0.84037861       8.84990589       3.49625400      -0.28209806       1.25434285       1.47805257 
O       3.66464029       6.43161669       4.78725485      -1.58616283       0.14398278       0.31874768 
O       3.64845117       9.74654608       1.24541804       5.20776609      -2.06613825      -0.52473360 
O       3.22572397       9.41300042       4.11116460       2.79288166       1.36483596      -0.12261992 
O       1.82601771       3.21320828       8.64495330      -0.97062524       2.21107653      -2.92476552 
O       8.96550548       4.33125633       0.83612326      -1.73017795      -3.20842343       0.69370563 
O       6.51928745       1.01960527       6.38950573       0.14895681      -0.55114188       0.00490091 
O       6.71898160       3.47807180       8.53101375      -0.14380143       0.15104630       1.08630497 
O       3.06502971       4.15674396       6.04677337       2.27902311      -2.00379409      -5.82305900 
O       0.57310138       3.78319377       6.28076264       0.16928553       1.40046213       0.30489341 
O       9.24602842       3.89755343       8.64848031       0.65397203       0.09598938       1.64934679 
O       8.45831647       4.25908267       6.30886711      -0.65544522      -0.11712584      -1.81950921 
O       5.80292336       3.44188502       5.96905712       1.75460073      -3.05854018       1.35948858 
O       6.33545775       0.81286747       9.29812519       1.68610069       0.64617889      -2.25852096 
O       6.78241002       1.45878126       1.34125347      -1.46688698      -2.54133685       0.34280209 
O       8.93658915       1.43884179       8.77162583      -1.62083374      -0.72709732       0.41879323 
O       6.43195559       9.08035089       1.50002740      -0.77032589       1.43373156      -1.73350923 
O       8.72953558       9.38593326       5.95629673       2.04879799       3.70708927       1.59014910 
O       0.90560104       6.76498536       6.41548231       2.36111340      -1.05721699      -1.16658309 
O       9.08704151       6.35358238       9.00144369      -1.36606584       2.69802802      -1.77446310 
O       8.49959736       6.49707723       1.22258403      -0.06360715      -1.84725700       2.37058858 
O       9.02600064       7.12612620       6.36377405      -1.13455670      -0.36537791       1.35417524 
O       6.75365790       8.70708820       6.86928377      -3.07422653       0.77989613       0.80921556 
O       6.58431039       6.10223041       9.38965106       0.29718734       1.06618911      -0.09358793 
O       4.30663271       6.05688445       8.08695591      -0.56477858       1.04766684      -1.68816508 
O       5.78074789       6.43615704       1.19005749       1.09578045      -0.69435390       2.84445264 
O       8.87384261       5.89485742       3.82124730      -0.67306458       1.04087287      -0.81226008 
O       9.33892233       1.27633781       0.79622747      -0.73231908       1.50418448       2.17719539 
O       8.83000671       8.89713754       3.65613253      -1.49041624      -1.68237941      -0.35338943 
O       9.01230300       9.03061990       0.95448405      -1.32011587      -0.41233527       2.95365621 
O       6.75923785       3.22515032       3.43052165       3.67574736       4.70529662       1.16366032 
O       6.30710753       6.52727703       4.07965066       0.09880720      -3.22309583      -2.86212825 
O       6.04882862       8.76453058       3.79520907      -0.77391428       2.73081870       4.18990401 
O       9.11293991       1.63012708       6.32010310       1.42976456      -2.38926637      -0.98192102 
O       0.77584109       6.51627182       3.73169724       1.28073739      -1.52926147       2.97984205 
O       9.58448911       3.22656954       3.84757534      -4.35548405       3.03468171       3.57817548 
O       4.15985388       7.54450061      10.33114782      -0.89179639       0.25812632       0.81702610 
O       4.52914276       9.38575188       8.52530789      -0.50396824      -1.51795328      -0.48150198 
O       3.98916722       1.31279870       9.46222035      -1.60985605       0.48458121      -0.20441895 
O       6.60989250       6.21298803       6.34520032      -2.21528381       0.37914537       1.30772237 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.027489058651978555 0.002628748544525011 0.023261647808461145 0.002628748544525011 -0.038524426351434625 0.009030786208061987 0.023261647808461145 0.009030786208061987 -0.014851147433495242" pbc="T T T" energy=-926.18598119 free_energy=-926.18602809 config_type=crystal 
Hf       0.22752085       0.08443084      10.25777609      -0.41218893       1.46095838      -0.69824787 
Hf       5.35956676       2.41019903       2.57858145      -1.31536392       2.79444475       5.09705638 
Hf      10.31167451       2.42716432       7.62539471       1.49416476      -1.58850987      -1.36430117 
Hf      10.13611259       0.11273971       5.14209744       1.81757536      -1.23597697      -1.53127970 
Hf       7.55471395       5.18315215       7.87336944       3.41663274       0.73941462      -1.25433366 
Hf       7.56997168       7.93548079       5.24650134       1.01955865      -1.14343491      -2.11188658 
Hf       8.02436332       2.74499288      10.04536122      -1.05884129       0.59740874       2.57782355 
Hf       7.95491569      10.34241678       2.46167442      -4.97743141       4.50082119       5.60911857 
Hf       2.24366023       2.36195655       4.96103542       1.04796971       1.07817566      -1.34339454 
Hf       4.97244473       1.95747936       7.85501382       6.64791293      -2.63402980      -3.03999804 
Hf       4.96502775      10.42665294       5.05922586       4.92806551      -0.58108618      -3.06490402 
Hf       2.65587947       2.82086959      10.38191444      -2.20747571      -1.65376385       0.50834834 
Hf       2.11756533       9.94898426       2.42814699       1.77773543       1.43101633       0.22588410 
Hf      10.35206305       2.55626971       2.40560165       0.95323298       1.63930857       1.22731255 
Hf       2.71023610      10.17281211       7.57298741      -1.67795103      -2.68992146       1.89966129 
Hf       7.85980556      10.19608391       7.77919688      -0.58887228       1.88865100      -1.03760380 
Hf       2.63618574       4.74746665       7.82045265      -3.02643631       1.94144945      -6.51276279 
Hf       5.17512311       4.98882957       5.07228558       0.65973902      -1.90543256      -0.58566833 
Hf      10.12593253       5.56990703       5.51096139       0.30328688      -2.29812199      -3.33859407 
Hf       2.11952586       7.95281973       5.10085475       0.36442749      -0.98133633      -0.89616743 
Hf       5.21726799       4.86926318       9.90482160      -1.64393150       2.06994798       0.95905416 
Hf       5.03306559       7.90672606       2.27973481       0.82296385      -0.54789286       1.01762598 
Hf       4.96999972       7.71772460       7.30315329      -0.30669762      -1.00187794       2.45049979 
Hf       7.32444143       7.77229965       0.32492109       0.89668194      -0.31746590      -2.53313687 
Hf       7.43047178       5.06202483       2.68381428       1.65869474       3.31474986      -2.05047761 
Hf       2.64840409       5.45838904       3.09124534       0.82503485      -1.45848860       0.47424725 
Hf       9.83338466       7.37718585       2.46505573       1.25511164       0.10225971       2.91296588 
Hf      10.34632611       5.20133739       9.92407816      -3.92584101      -2.99024776       3.81355008 
Hf       7.75930932       2.47722489       5.21408605      -2.17588599      -1.22464960      -0.46622352 
Hf      10.42882499       7.91451061       7.94501257       0.94475685      -0.47516259      -2.64734959 
Hf       5.16322796       0.18562423       0.31381017       0.39647726      -0.41185370      -2.83864306 
Hf       2.30840927       7.40341948       0.09103271       2.56630241       0.04490780      -2.03253654 
O       1.08370300       8.89116103       0.51074857      -0.76538117       2.16381620       2.87812941 
O       0.78277537       6.55085623       1.09880091      -1.40132298      -2.05507493       0.39181631 
O       3.91374527       0.80696139       6.39321045      -3.12605903       2.74528581       5.61892031 
O       1.28937671       1.12932925       3.64813677      -1.02863145      -0.60668384      -1.38807591 
O       3.17937514       4.91444712       0.29853307       0.19562759      -0.31325159      -1.22794384 
O       1.27137903       1.14013476       8.72047698      -0.27606811      -1.45688231       0.68829983 
O       4.33624609       4.32603307       3.19685840      -0.97012058       1.03857708      -0.01052897 
O       6.14748731       3.55272511       0.40451455       0.67517609       0.23680435       3.25505774 
O       4.14866667       1.47892315       4.21284363      -3.80987532       3.56540710      -2.34758971 
O       1.49673798       3.66915803       3.18712191       0.24330994      -0.60649971       0.91258822 
O       1.69143295       1.00604443       0.90126489       0.10536608      -2.80136790       1.37237778 
O       3.26955003       7.38204112       2.71932254      -3.85807453      -0.80196952      -1.53148167 
O       3.81323385       2.54957124       1.46207110      -0.69238917      -1.86676028      -1.42658897 
O       8.92675773       1.07875710       3.90173991       0.08516482       0.03958844      -3.66894823 
O       1.26031866       9.35020678       6.38288209      -0.08183204      -0.94482936       0.02663427 
O       6.32182688       1.14984593       3.91512158       1.84445554      -0.46942689      -1.08855909 
O       7.47789413       8.99959651       9.25635375      -0.32957202      -1.86401370       1.67421237 
O       0.93863530       1.14350844       6.23418732       3.38137838       4.19772370      -0.11064834 
O       4.15146323       3.59913486       8.39447798      -0.96031483      -0.03948630       2.91698474 
O       1.82605571       8.38382664       8.76070089       0.33720812       0.27067994      -0.29121815 
O       0.85965044       3.06399564       0.62256401      -0.74063575       2.82612055      -0.12282340 
O       3.61505311       8.64253174       6.34467114       0.12537948       0.36806044      -0.13654683 
O       9.77980264       9.70824062       8.60489371       1.12879120      -0.92109034       0.69845332 
O       1.08411652       5.80988841       8.76488497       3.80915628       4.40111452      -1.06992794 
O       0.93921722       8.86806788       3.57128514      -1.21575811      -0.47525061      -0.44777364 
O       3.70047614       6.38909723       4.71229864      -0.43816332      -0.02867148       1.60426000 
O       3.78580330       9.33067999       1.23067326      -1.12263407       4.73332393       2.10741095 
O       3.29497672       9.60255754       4.29774335      -1.25479396      -0.48634752      -3.01783506 
O       1.39753159       3.56913213       8.55825538      -0.22923236      -3.46965212       2.94370833 
O       9.07784779       4.17454455       0.93752692      -1.48226852      -1.94370931       0.03358835 
O       6.60705239       0.85088155       6.43820506      -1.14448319      -1.40305299       0.33214370 
O       6.63634404       3.74811284       8.71279699      -0.32979723      -1.21817140      -0.96711238 
O       3.38382754       4.00904683       5.60303820      -1.79013168      -1.24879272       1.67549252 
O       0.64809348       4.14421246       6.33766894       1.27997391      -2.73687722       0.65107578 
O       9.37061598       3.92239464       8.46725198      -1.97593764       2.32724438       3.18424038 
O       8.22664472       4.11153814       6.14340769       1.42517472       2.21162217       2.50054561 
O       5.90418113       3.11801484       6.09764098      -1.61390074       1.48554869       0.65056032 
O       6.46245200       0.72730911       8.93930482      -3.10663339       2.11384417       2.12113773 
O       6.44075285       1.44554874       1.33900491       1.67212916      -3.27734361      -1.84643046 
O       8.62391812       1.57434736       8.71918074       2.76485832      -0.81211003      -1.33521042 
O       6.22590500       9.26864034       1.32495394       2.21260119      -0.46321067      -0.10413352 
O       9.19736551       9.32443261       6.14346735      -3.36371132      -0.97300356       2.04704321 
O       1.24227483       6.73294466       6.54055026       0.20412310       0.10913610      -0.46453565 
O       8.94754747       6.49875171       8.99712649       2.18899713       0.48014790       0.26739961 
O       8.37643677       6.47641349       1.62380204       2.46680896       3.72116510      -4.12178120 
O       9.33312490       7.19336170       6.21903980      -1.69907381      -2.04565105       1.39879777 
O       6.67258159       8.52837187       6.88348985       1.61421649       1.69120948      -1.33285300 
O       6.60512169       6.21335278       9.58673673      -0.27161182       0.15376704      -2.31427635 
O       4.11812860       5.93489241       7.70535773       2.31302395       1.89039349       1.19774534 
O       6.15662755       6.49634470       1.43091165      -1.90495298      -1.13175762       0.60897646 
O       8.89295870       5.86491121       3.72518496       2.26023039       2.26020403       1.66613574 
O       9.21680899       1.27764336       0.77703497       0.30787761       0.69671204       1.70408266 
O       8.77168391       8.92689012       3.72768962       0.13174148      -1.62317077      -0.30407971 
O       8.81290201       9.35347276       1.31966086       4.44130783      -6.26543279      -5.57946142 
O       6.51283441       3.83604106       3.70150957      -0.39310896      -4.09587040       1.82713517 
O       6.45718112       6.37008674       3.85835521      -1.11955237       0.84056284       1.27065600 
O       6.20808315       9.00316444       3.98278713      -0.76234947      -0.55360574       0.36050821 
O       9.00283203       1.23190680       6.32761208       0.50826441       2.53468823       1.27571449 
O       0.96392467       6.25900729       3.96991779      -0.28207100       0.93539756       0.08122940 
O       9.34934248       3.50160264       4.17782717       0.99254221      -1.14031107      -3.01597978 
O       4.24460048       7.57231611       0.24293003       0.30271381      -3.00382940      -1.22259553 
O       4.68847286       9.12752571       8.52166136      -1.57048818       1.08448546       0.85202321 
O       3.96395163       0.98941971       9.43227592      -2.23136097       1.94367178      -1.21204351 
O       6.66823550       6.05288971       6.39131963      -2.30239030       1.56286162      -0.61102364 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016692674098967856 -0.006689292535456276 -0.005349361186983562 -0.006689292535456276 -0.004777865430452798 -0.0013822250688530332 -0.005349361186983562 -0.0013822250688530332 -0.022927980038591263" pbc="T T T" energy=-928.95559554 free_energy=-928.95562652 config_type=crystal 
Hf       0.20791106       0.01267614      10.11152497       0.50596882       0.93951858       6.74813497 
Hf       5.38849533       2.64057108       2.50774715      -2.20929179      -1.36913458       1.18989120 
Hf      10.30559878       2.44474073       7.43908651       1.64180813       2.70014468       4.66407809 
Hf      10.12254442       0.08461849       5.20411899       1.48994127      -1.31122120      -1.64966214 
Hf       7.75870709       5.18974973       7.83574283      -3.74964324       5.36068506       1.15025337 
Hf       7.67945431       7.93869936       5.13629707      -0.75398854      -2.98339979       0.77184848 
Hf       7.95474331       2.74570197      10.09470548      -1.51546038      -0.61818752       1.54317269 
Hf       7.83118815      10.35272085       2.53137743       1.43729492       1.01065143      -1.44356744 
Hf       2.28316301       2.33032706       4.96928080       3.18976857       1.57954711      -3.19882787 
Hf       4.96205849       1.84858556       7.78010158      -1.08321669       4.34915183       0.43590605 
Hf       4.92239871       0.14694629       5.16585006      -1.57860725      -0.36562636      -5.81562727 
Hf       2.62508791       2.63734550      10.36508709      -7.02052020      -2.00028506       0.50800721 
Hf       2.07523782      10.00885375       2.53107778      -1.60000395       0.18993313      -2.07748591 
Hf      10.41481096       2.52233149       2.50164232      -0.38576414      -0.78513691      -1.73056975 
Hf       2.56077457      10.24302398       7.51709215       0.11833332      -1.19525062       3.96102679 
Hf       7.73185637      10.28679646       7.65408560       0.50039165      -2.50958418       2.76870477 
Hf       2.54741259       4.77789545       7.86396713      -4.63579266      -1.05617762      -0.25130726 
Hf       5.28971659       5.07695194       4.95106092      -4.06550378      -0.45974457       3.58229446 
Hf      10.29894897       5.31879588       5.38917679      -0.82530609      -0.38222467      -0.50161658 
Hf       2.08278311       7.88037709       5.12381811       2.45769852      -0.55542658      -1.07714091 
Hf       5.20545217       5.03615699      10.00771126      -0.55848922      -0.92148295       1.35300642 
Hf       4.98272348       7.83503217       2.22710542      -2.44552561       0.25384576       1.40865778 
Hf       4.99553128       7.62144089       7.40880319       0.75491745       1.72008578       0.48655048 
Hf       7.35215865       7.90318524       0.27614713       4.66814529      -5.37983082      -4.30496006 
Hf       7.32020911       5.13454461       2.62105193       3.34566615       1.32387151      -0.97936283 
Hf       2.72389668       5.29824131       2.92884592      -0.91913995      -0.83785404       0.87201831 
Hf      10.01515942       7.42968096       2.58564750       1.10168869       2.01391148      -3.06554496 
Hf      10.27296098       5.04666704      10.15763319       3.68299636      -0.67014790       1.64749310 
Hf       7.65175561       2.47070371       5.25803133      -0.82637516       0.11705966      -1.23600578 
Hf       0.01268859       7.91333107       7.91486709       0.85866202      -1.42826564      -1.47209637 
Hf       5.19609738       0.10035254       0.21571341      -1.79371768      -0.51003344      -2.56277130 
Hf       2.39586274       7.39977002       0.02236993      -1.62447088       0.40977002       0.15934224 
O       1.31197501       9.13343053       0.81727479       0.63223880      -3.09121635      -0.93012108 
O       0.48642512       6.49991367       0.88923169       2.14073486       0.27343455       1.78627630 
O       3.41505282       1.41735970       6.53126863       2.23205743      -3.47298706      -0.17606492 
O       0.98246355       0.88319081       3.68015811      -0.89239712       1.04681691       2.17990007 
O       3.28245214       4.90447022       0.38471993      -1.14496813       0.79766033       1.29946992 
O       1.29872114       0.85575691       8.72559935      -1.29732274       1.96607270      -0.41297458 
O       4.51542639       4.61771444       2.90150119       1.88214787      -0.20206353       0.72383367 
O       6.33973811       3.70278237       0.89661246      -0.66799020       1.55626510       0.39550444 
O       3.83871047       2.07054373       3.65965262       1.70533454      -2.77577816       0.69804824 
O       1.68886737       3.39960167       3.46125816      -2.37583441       2.74868658      -2.35288817 
O       1.40894561       0.90943564       1.26351085      -0.28193985       2.92537982      -1.21985411 
O       2.95169300       7.27591113       2.58783567       0.57119884       0.58113329      -1.10605237 
O       3.79872550       2.43125430       1.24334678       4.35474732      -1.52400168       2.35241048 
O       8.88414323       1.09444436       3.67538071       0.91588450      -0.57923244       2.43890590 
O       1.12197538       9.49843957       6.30182754       0.54071834      -0.92619345      -0.94468871 
O       6.40206266       1.41986678       3.93245978      -0.44898917      -1.19863546       0.05653242 
O       7.11352762       8.91162800       9.14563046       1.34695437       3.20586788      -1.48093826 
O       1.11469237       1.66922860       6.31774779      -3.04451012      -4.52308450      -0.18071922 
O       3.76870980       3.44350121       9.14412573       3.81171058       2.60219579      -6.04619892 
O       2.10084171       8.62877434       8.86966586      -1.58041267      -0.21275938      -0.70647884 
O       0.69074178       3.30262145       0.74725989       0.61553295       1.53752218       2.22909899 
O       3.71665595       8.86483770       6.25045724       0.92486479       0.05366190       0.30044189 
O      10.09919066       9.72161486       8.54240736      -2.81780601      -2.23005216      -0.67490939 
O       1.53336225       6.15047154       9.06876962      -0.59323379      -1.02553889       0.32755355 
O       0.74525236       8.77429052       3.65422307       0.58519727      -0.14379611       0.99907581 
O       3.64231945       6.36156014       4.91911431       1.14532459       0.29707391      -1.22303584 
O       3.94364459       9.72820699       1.59248414       1.78020358      -0.68807401      -1.65918215 
O       3.30997845       9.82397304       3.95380968       2.05355699      -0.65818640       3.64969838 
O       0.94789987       3.45055930       9.01972595       0.54735658       1.12785764      -2.09630378 
O       8.82564168       3.65840516       1.11580074       0.17107731       3.50387145       0.59856138 
O       6.31675758       0.44028530       6.42134747       0.23128260       2.43294596       2.02493773 
O       6.48485354       3.82317999       8.71713534       0.14965705      -0.04516886       1.07971280 
O       3.51801480       3.68700677       5.40350711       0.98647489       3.54816282       1.77011288 
O       1.03457707       3.99757043       6.57507679      -1.72284066       1.42965924      -1.34721056 
O       8.99929216       4.27724885       8.92671387       0.05466688      -2.96467367       0.82280407 
O       8.30259647       4.23623883       6.34858446       2.28460897      -3.12110784      -2.57751316 
O       5.80107985       2.95495773       6.40870691       1.76306079       0.49587771      -1.37634916 
O       6.11271200       1.06227576       8.99505931       3.37432936      -1.54895689       2.65916663 
O       6.50908217       1.09767507       1.33119054      -1.25280007       1.07043850       0.09876312 
O       8.77493733       1.65205733       8.58161500      -0.26920339      -0.47265874       2.22960264 
O       6.53641664       9.19286348       1.25179164      -4.51176749       1.76551756       3.67875884 
O       9.15336509       9.18290133       6.59735881      -1.09912142       0.53339863      -2.98761283 
O       1.69156566       6.67902897       6.61877872      -2.06047523       0.51239257       0.82790103 
O       9.26397702       6.85375695       9.01577087       0.04759319      -1.02440093       0.50035694 
O       8.55026182       6.82101323       1.40464159      -1.16889471      -5.18869299       1.37470982 
O       9.32660037       6.77122803       6.38574302       0.19144884      -0.89530937       0.16900097 
O       6.77845107       8.66438066       6.66305954      -1.79088949      -0.93387667       1.88817732 
O       6.54502833       6.36401708       9.30093516      -0.64502514       0.07557850      -0.26389400 
O       4.08519063       5.73907588       7.63942758       3.18265136       2.52225712       1.45827433 
O       6.17755963       6.34448328       1.65193205       0.41314382       0.15334848      -1.74438964 
O       9.20957946       6.28820443       3.87211041      -2.36630128      -2.06541583       0.95748908 
O       9.03667208       1.34966631       1.19960267       0.40634472      -2.03367752      -1.39070559 
O       8.68398145       8.74918671       3.68417912       0.19603663       2.20847859      -0.50040590 
O       9.15573955       8.88843657       1.10721951      -0.81956967       3.27741290       0.07690674 
O       6.64536559       3.79149650       4.17503029      -0.47654502       2.11070486      -3.71962351 
O       6.39392874       6.49286374       3.99887933       1.02833600       0.61893923      -1.20168095 
O       6.22408252       9.28060802       4.33665574      -0.40908802      -0.42570834      -1.86385185 
O       8.99398925       1.25657700       6.38020578      -0.77538869       0.19039580      -1.98689635 
O       1.23852646       6.11653865       4.24067639      -0.47920336      -0.04489968      -1.85122341 
O       9.17033592       3.61352065       3.98614762       1.43090035      -0.25869506       0.35457394 
O       4.41520907       7.03203004       0.48954677      -0.83201863       1.95212892      -1.48936453 
O       4.52034560       9.03771651       8.75273842       0.79500714      -0.21421664      -0.19278228 
O       3.50181971       1.02360231       9.21067653       2.37314442      -0.94851331       0.89696573 
O       6.26710928       6.18127084       6.40044102       0.88851494      -0.35103559       0.91695334 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0008892884601502733 -0.012349277085394355 -0.0069847478827972185 -0.012349277085394355 0.00836472367404052 0.010611294740720261 -0.0069847478827972185 0.010611294740720261 0.01316558391013566" pbc="T T T" energy=-931.59620631 free_energy=-931.59626716 config_type=crystal 
Hf       0.20017319      10.44711164      10.10555306      -2.52194581      -1.23529843       5.55462499 
Hf       5.38756866       2.75832023       2.49821067       0.99760984      -4.87777559       0.59998732 
Hf      10.31854651       2.48528564       7.38851341      -1.65464007       0.94554426       3.73328911 
Hf      10.13395530       0.04850717       5.22268770      -3.39131902      -0.85174226      -0.61904046 
Hf       7.83828967       5.25424800       7.82054727      -1.86918647       1.25924581       0.08736820 
Hf       7.73344200       7.90378705       5.08373948      -1.03369711       0.61608622       0.25983221 
Hf       7.89067939       2.73502571      10.15068981      -3.50459104      -3.37213353       4.24452192 
Hf       7.77122645      10.37668270       2.55876653       0.62021256       3.43802267      -0.36959390 
Hf       2.35157282       2.33906393       4.93155863       1.71304360       2.97382290      -1.51747273 
Hf       4.96909754       1.83386328       7.74400303       1.80152263       4.36331582       4.49384650 
Hf       4.88686649       0.25334201       5.14462471       1.17634309      -2.93332119      -6.47456968 
Hf       2.53593525       2.50871758      10.36652378       0.51050262       1.11542226       0.54020350 
Hf       2.04742400      10.05112160       2.56975583       1.24845186       1.09890745      -0.01139967 
Hf      10.44474220       2.49704839       2.53762753      -4.16458470      -0.51703571      -1.54916105 
Hf       2.48199078      10.26200862       7.54681270      -0.52490073      -2.21733953       2.36496532 
Hf       7.66452019      10.30677361       7.61784523       2.24440818      -1.64103750      -0.10718680 
Hf       2.44074578       4.79427631       7.86994302       1.37160375       1.65446085       1.14261740 
Hf       5.29616838       5.12838494       4.93565049      -1.48948576      -0.11752839       2.42897788 
Hf      10.38186305       5.16831726       5.30250294      -2.84788534      -0.37708483      -1.63431341 
Hf       2.09975688       7.82805017       5.12358357       3.08078477      -0.90742130      -0.43584973 
Hf       5.18860410       5.12916331      10.08515046      -0.72544782      -0.96249861      -0.28312457 
Hf       4.92241881       7.79577722       2.21686843      -0.97335168      -0.96226755       1.23597943 
Hf       5.02903945       7.60591094       7.47248143       0.73286725       1.26472520       0.96283331 
Hf       7.42171147       7.92494070       0.19598242       3.17725572      -2.22829748       0.21064392 
Hf       7.31494367       5.19946205       2.56354299       3.92075656       1.26625968      -1.37917408 
Hf       2.75133299       5.19694221       2.84683748       0.40785096       0.45624066      -1.83785203 
Hf      10.13354366       7.48195094       2.62797082      -2.39042366      -1.06002527      -3.74011380 
Hf      10.26924872       4.94849430      10.31927747       0.11748653       1.42233834       2.13259922 
Hf       7.57052314       2.46737734       5.26896003      -0.76110560       1.14884554      -3.05130157 
Hf       0.05549200       7.89298624       7.86779012       1.01969868      -2.92462538      -2.52646597 
Hf       5.16966520       0.04022360       0.09984901      -1.23458546       0.45373214       0.01222391 
Hf       2.43805053       7.40422998      10.45089339       0.84635338       2.39929042       4.45160785 
O       1.43370613       9.07314878       0.99801560      -0.46287019      -0.55942582      -1.93482790 
O       0.56348325       6.42018132       1.01985468       1.25068728       1.27074193       1.58586689 
O       3.34555328       1.39383221       6.67112982       1.34930804      -0.56174069      -2.32066424 
O       0.71481550       0.90078209       3.91268682       5.92715778       1.56056866      -3.61005128 
O       3.17506045       4.93531777       0.56931177       0.00937965      -1.24824178       1.85859445 
O       1.10541869       0.95873595       8.75692197       0.98306053       1.57092676      -1.68419011 
O       4.92273185       4.74463460       2.83763822      -4.29649684       1.97694971       2.68782061 
O       6.41135528       3.96065949       1.35884506      -1.06150547      -0.88766381      -5.49316183 
O       3.74963578       2.05363663       3.47282488      -1.23109325      -1.16745528       3.43196016 
O       1.49805536       3.52604666       3.39774570       2.06190023       0.76776007       1.88233426 
O       1.25302121       1.07654370       1.34346362       1.32687475       0.91263096      -1.16166883 
O       2.78056959       7.31689917       2.31398576       1.81302895      -0.53002607       0.69025121 
O       4.07273868       2.11618641       1.09063927      -0.66500308       0.56863358      -2.05139862 
O       8.96875137       0.99905740       3.75715177      -1.41296925      -0.03924011       0.79934740 
O       1.02564427       9.31508713       6.04751322       2.74156696      -0.31744616       3.40021440 
O       6.46427762       1.39844539       3.92143500      -2.04746402      -0.86101773       1.11378299 
O       7.12896463       9.21517815       9.01667233       0.18641486      -1.32508264       4.23729359 
O       0.92749057       1.50762691       6.17525466       0.53214887      -2.21474154       0.10978290 
O       3.85344531       3.61368183       8.96868313      -1.78005794      -2.17568026       0.02671540 
O       2.01665306       8.73932002       8.76857252      -1.67376650       0.09830505       0.09965625 
O       0.72478801       3.74992873       1.05172353       1.51251200      -1.85644908       0.82076925 
O       3.90572157       8.98481646       6.23014967      -1.14445949      -0.17606631       1.91738109 
O       9.93764800       9.47971973       8.60184774      -1.81945029       2.56433556       1.06071191 
O       1.71601848       6.27221919       9.26620851      -2.31535061      -4.70382768      -4.30083924 
O       0.67577595       8.68168694       3.81862792       2.05102585       1.10010049      -0.57969746 
O       3.73936561       6.40858362       4.90767277       0.13093271       0.78001931      -1.30742947 
O       4.12524938      10.00860601       1.68219842      -2.10002223      -2.25321824      -0.07434729 
O       3.45829979       9.84251789       4.05334114      -2.65823096      -0.64589765      -0.07508522 
O       0.89281804       3.48037175       9.11811628       0.90387490       1.19649266      -1.77973791 
O       8.67186818       3.81421830       1.27987664       1.91223495      -0.09013602      -0.74617221 
O       6.10639575       0.52823822       6.60759077       0.33044477       0.88729246       2.17684137 
O       6.46074622       3.86613369       8.74602739      -0.07950817       0.04905172       1.29594162 
O       3.62647247       3.90874609       5.59287730      -1.18062249      -0.54422987      -0.66165600 
O       1.11291364       3.92305234       6.58021256      -0.97924968       0.64921619      -1.71094172 
O       8.71051431       4.13724637       9.25276646       3.21399770       3.82137334      -2.56631780 
O       8.68282818       3.99223319       6.33976982       0.59055488      -0.39949036       1.44653451 
O       5.94025697       2.95224290       6.44207682       0.72890459       0.89036041      -1.52042255 
O       6.18904629       1.20670430       9.36620908       0.99458890       1.69556265      -2.61931288 
O       6.56154305       1.22490596       1.48264702      -1.67423554      -0.39420376      -1.46697681 
O       8.95099661       1.68056600       8.80988125       0.29803335      -1.29379952      -0.56228882 
O       6.39696164       8.99398977       1.68212745       1.17181460      -0.37999964      -3.23509507 
O       8.93568812       9.10334712       6.41578876       1.18645060       0.88136151      -0.62529741 
O       1.65389007       6.73664446       6.78454638      -0.71395659      -0.22686269      -1.17478352 
O       9.52234563       6.90180738       9.12789308      -1.84571041      -2.13269945       0.81260056 
O       8.53027578       6.41818479       1.31498687       0.00738503       1.01108233       0.31860093 
O       9.31291665       6.36202065       6.56129239       0.32087463       0.66289569       0.46486451 
O       6.69336380       8.64676270       6.66471393      -1.60258594      -1.05789700       1.15467621 
O       6.42043345       6.45234312       9.06224928       1.50909730       1.31985692       0.76186621 
O       4.23965154       5.60928265       7.92033463      -0.60668487       3.05529282       0.49478783 
O       6.15142218       6.31315878       1.39279721       0.89372974       2.00725065       0.04880162 
O       9.09548637       6.34914607       4.02862950       0.41582367       0.09150025      -0.34488628 
O       9.01056467       1.10463080       1.27934726       1.70499739       0.36296693      -2.05380115 
O       8.67820882       8.91160905       3.60675268       0.69201298      -1.61830519       0.52794087 
O       9.26695203       8.94512664       0.95292564      -1.98969630      -0.58415576       0.04069109 
O       6.79597882       3.72793987       3.89726394      -1.04876804       2.52813192       1.32210770 
O       6.39268955       6.79454725       4.11934550      -0.96522754      -2.33836667      -3.03912571 
O       6.17656744       9.34752597       4.27515519      -0.16513679       0.41184168       0.11311600 
O       8.90674070       1.42394650       6.17682857       1.22815875      -2.25942080       3.11380465 
O       1.35018711       6.09035693       4.09805181      -1.51668578       0.13949065       0.14022749 
O       9.31232584       3.58114356       3.83500627       1.57001887       0.89593306       2.00537170 
O       4.43032362       6.91490656       0.39116198      -2.31420213       3.49593676      -1.47605750 
O       4.46971840       9.05044581       8.97064742       1.04511154      -0.29369800       0.05797162 
O       3.50536870       0.99486548       9.21345248       0.62224810      -0.59951336       0.03335454 
O       6.16528288       6.20887670       6.51186942       2.18534393      -2.16878085      -0.70736454 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025249404282157405 0.01029151746813456 0.0032858080511569032 0.01029151746813456 -0.0347562974125755 -0.02702877752539978 0.0032858080511569032 -0.02702877752539978 -0.008234922872243674" pbc="T T T" energy=-927.65228462 free_energy=-927.65326685 config_type=crystal 
Hf      10.08544289       0.14499246      10.40968064       0.15453134      -1.15709100      -1.97858239 
Hf       5.18290672       2.54857643       2.46672090      -0.66323201      -0.45406777       1.22092193 
Hf      10.30825709       2.23259515       7.82246771      -2.39784446       3.48622005      -0.21220790 
Hf       0.21573130       0.00216629       5.37189437      -0.96928751       0.18993737      -2.26948557 
Hf       7.93108227       4.89802115       7.35297250      -0.10729512       0.81176992       1.74504232 
Hf       7.42110893       7.63373648       4.89404630       1.25332924      -0.04388548      -0.26434292 
Hf       6.90936753       3.04051734      10.04063374       5.43680482       1.10299518       5.47601268 
Hf       7.40134372      10.25398356       2.65039424      -0.47478771       2.28955631      -0.05142360 
Hf       2.15821187       2.71424769       5.32989048       3.90465603      -1.16202977       0.50553938 
Hf       5.07579992       2.87203361       7.30617038      -4.87743979      -1.27699404       2.42171079 
Hf       4.92623792       0.28522342       5.65051288      -6.54925736      -2.23989634      -6.78259206 
Hf       2.34577046       2.10279606      10.05762969       2.54592058       1.27033104       2.79966880 
Hf       2.71727859       0.17410691       2.45338477       0.36908752      -1.31200540       3.15191743 
Hf      10.25154954       1.71138917       2.83557700      -2.13635498       3.51890075      -0.43702277 
Hf       2.32024591      10.22324004       7.81428021       0.61742743      -0.48887665       0.17357608 
Hf       7.40580902      10.03637138       7.32561082       4.34520296      -3.16076100       3.90645871 
Hf       2.28262599       4.82072774       8.31877868       0.18857262       1.88129640      -1.05254757 
Hf       5.38968136       5.23771204       4.94129690      -1.32139295      -3.13726506      -1.02569931 
Hf       0.28556252       5.34174439       4.82030418      -2.67395968      -2.46473899      -0.56839213 
Hf       3.15809097       7.56411668       5.12841560      -4.10775677       4.36282193       2.75013133 
Hf       5.17589803       5.67541626      10.20201919       0.51918052      -2.60204341       1.09710637 
Hf       4.99617705       7.83999681       2.34627431      -1.10769097      -0.29103923       0.48388829 
Hf       4.78716599       7.87796829       7.98528232       0.82282462      -0.90231462      -1.90533891 
Hf       8.03936746       7.88801532      10.08461187       1.84603338      -1.53661933      -0.44320444 
Hf       7.50380018       5.02596972       2.56146932      -0.34147367       4.87618124       0.11915676 
Hf       2.47605958       4.74829494       2.01711985       0.85611160       0.45217419       0.06761711 
Hf      10.46581129       7.99337395       2.77599377      -0.70546703       0.85367563      -1.63170620 
Hf      10.27350177       4.71071814       0.07575163      -4.43896547       1.15041045       1.85847451 
Hf       7.80786621       2.11713810       5.42693497       0.58572859       4.92221050      -1.80918632 
Hf       0.35760117       7.42234038       7.51980383      -3.95244541       2.98850036       0.54899915 
Hf       5.25522429       0.07007665      10.23502477      -0.58720150       2.55387862       4.17150691 
Hf       1.98146789       7.77049570       0.04421530      -0.49409939       0.59385565       2.27332663 
O       1.76857764       8.85981685       1.79571901      -2.43013542      -2.92078019      -1.58041007 
O       0.87675546       6.31727095       1.75956593       0.23235705      -1.96299231      -1.42252012 
O       3.72742127       1.35548719       6.78041851      -0.51314112       0.11986103      -2.40241552 
O       1.38217412       1.59072718       3.87111340       1.65756366       0.79279907       1.48133669 
O       3.11222055       4.35074230      10.39633613      -0.96160054       0.68971238       1.84752825 
O       1.09869699       0.97225734       8.91865752      -0.14713883       1.36981510       2.29802764 
O       4.24568677       4.37354930       2.88607035      -2.30014185      -0.36470044      -0.09560861 
O       5.74242067       3.91976292       1.09369132       1.69979363       0.77840447      -2.96526331 
O       3.84329016       1.18925316       3.86150522       1.35859807       0.78828480       1.41975349 
O       1.73655954       4.05169136       4.00777654       0.10228555       3.70655158      -2.15059692 
O       1.45663098       0.61900571       1.07420932      -3.77326450       2.47448674      -3.86218648 
O       4.01147896       6.72043661       3.79650112       1.40672135      -3.04489559      -2.71498696 
O       3.73315790       1.71412252       1.21474600       0.04666989       0.98314679      -0.58710742 
O       8.63758635       1.02145894       4.22606474       2.49281913      -3.27313288      -5.20134840 
O       1.80218230       9.65490811       5.93545999       0.94034766      -2.54031010       1.02797742 
O       6.36773394       1.54621432       3.70927822       1.12312796      -2.16891186       1.74817356 
O       5.43830681       9.73991260       8.52913936       4.64228396      -1.57693070      -1.62770295 
O       1.05846470       1.35908254       6.66029019       3.16439476      -0.79529561      -2.69535606 
O       3.49159999       3.30645867       8.34595731      -2.29871276       0.20939514       0.60659389 
O       0.64444444       9.11313689       8.93454730       0.95349834      -1.31124630       0.83144162 
O       1.22201677       3.16003255       1.32427583      -1.24528282       1.64034887      -0.14908821 
O       3.87790377       9.42039479       6.72894521       2.89426544      -3.25981290      -1.21859642 
O       8.46374612      10.08286548       9.05601530      -1.82784706      -0.23882708      -0.38909635 
O       0.68522923       6.22439064       9.29482373       1.47539397       0.09336739       0.96601933 
O       0.31458435      10.30146254       3.34000671      -1.13769515      -4.48386797      -0.65778397 
O       4.90817044       6.71248418       6.10982887      -2.13525100       1.21337017       2.24104215 
O       3.88660411       9.72836252       1.16229024       4.13159993      -2.23071586      -1.64896035 
O       3.20819644       9.06486698       3.83786741       0.90087247      -0.07855659       0.04537341 
O       0.81248200       3.64936016       9.17604618       1.36935320      -0.64756526      -0.84539498 
O       8.48954206       3.80960438       1.74141911       4.03461915      -3.80395483      -3.36363058 
O       6.26182751       1.28311719       6.50987697       3.89016272      -1.22811645       1.60934381 
O       6.10300355       4.40373016       8.81045627      -1.55813575       2.15823596      -0.53504902 
O       4.08847534       3.66759092       5.60961924      -1.49211375       0.74122498      -0.41192051 
O       1.26943629       3.91643990       6.56798542      -0.12953341       0.62389205       1.48317762 
O       8.38171969       4.18748926       9.30328178       2.23431857       3.02713043      -0.30755469 
O       8.73254430       3.18837722       6.87485409       0.12632129       0.90462806       0.20329892 
O       6.30103180       3.80100975       6.37438940       5.76860396       4.01439496      -2.71984235 
O       5.85154294       2.11734858       8.92906845      -0.68957634      -5.87243482      -0.15662273 
O       6.54870239       1.38266906       1.20931697      -1.30700781      -0.99418035      -1.60286702 
O       9.29004162       2.17859008       9.43036908      -0.59665405      -3.83135095       2.62998727 
O       6.68720339       9.06272225       0.79397744      -0.76643753       0.86098261       1.23536624 
O       9.82663438       9.14486371       6.45198298      -1.11209401      -3.34240822      -0.30003647 
O       2.08114997       6.65501491       6.89517976       1.44918892      -0.64814121      -0.76264634 
O       8.76457297       7.70260805       8.03094520      -0.21740397      -1.74030856       2.71820538 
O       8.71954706       6.18531781       0.50523780       0.76232732       0.28722113      -0.77858447 
O      10.11772410       5.74476238       6.64950749      -1.83017616       0.14810062       0.41214148 
O       6.57265146       8.20233090       6.64286909       0.96839061       4.79473185       0.28197781 
O       6.44429901       7.03739302       9.08129201      -2.61891784       0.14070617       0.56410071 
O       3.85391587       6.25782670       8.88263139      -0.73936812      -0.33297582      -0.84393832 
O       6.17477772       6.42681051       1.29531669      -0.71545794       1.34689836       0.35372818 
O       9.03735082       6.21843527       3.72128494       1.35638081      -0.04659042      -0.73215047 
O       9.06312436       0.81242946       1.43359362      -0.63143544      -0.19831218       1.33272506 
O       8.39104831       8.66134798       3.53168784       1.46145705       1.83523222      -1.20169214 
O       9.55116462       8.67704811       0.98895208       0.30866119       0.89162075      -1.37625755 
O       6.46714379       3.97232606       3.81249881       1.20378473      -1.17675569      -0.07505589 
O       6.36663771       6.56452194       3.69918723      -1.03537053       1.55477677      -1.27182814 
O       5.84220479       9.32519330       3.81833225       1.23828866      -0.51719193      -0.50260544 
O       9.22332640       0.86724158       6.40086396      -4.60447029       1.91958212       3.54383440 
O       1.00597598       7.18771298       4.31246762       1.50046523      -0.18486541       1.23762521 
O       9.66649713       3.47000382       4.30218886      -0.02922512      -0.74442203      -0.04867036 
O       3.38319496       6.83394286       1.32126868       1.52018147      -0.35500821      -1.83674431 
O       3.02592013       8.47328784       8.91139366       0.21932399       1.07396315       0.81926967 
O       3.80402862       0.72105786       9.04154431      -4.07639137       0.83924232       2.32245765 
O       7.62741730       5.88090126       5.67288575      -1.26698435      -1.12604985       1.44452520 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.020503734977481456 -0.0004098026531383025 0.0012619549765933023 -0.0004098026531383025 -0.03273163368456512 -0.0206921580177885 0.0012619549765933023 -0.0206921580177885 -0.012491968656992652" pbc="T T T" energy=-928.39227646 free_energy=-928.39237487 config_type=crystal 
Hf      10.12261150       0.04858232      10.41345914      -2.82554573       0.68940406      -2.09291702 
Hf       5.21043178       2.48417256       2.62611537      -1.06283287      -1.23768056       0.69219509 
Hf      10.29176780       2.38894249       7.71187954      -0.36399166       0.07198912       3.46685414 
Hf       0.33058937       0.03817965       5.43169939      -2.08892958      -3.13254653      -1.40052452 
Hf       7.91280609       4.86387957       7.25018447       1.64070674       2.89953252      -0.68893857 
Hf       7.52263860       7.62104736       4.85613678       1.65130663       2.48009605      -0.20807787 
Hf       6.92753644       3.09140861      10.07836052       3.23563993      -2.98233909      -1.99928057 
Hf       7.46308938      10.26861698       2.58186166      -1.04322794      -0.30147604      -0.87825477 
Hf       2.14273916       2.72059575       5.25613621       1.27123428       1.41620125       2.13519066 
Hf       4.99145418       2.77477843       7.28578327      -1.26460696       2.01811551       1.55693039 
Hf       4.79166666       0.26150282       5.72779363      -0.60501513      -1.14838399      -6.14360174 
Hf       2.33921757       2.17858621      10.15342808       2.05518314       2.99597575       1.40152497 
Hf       2.71185333       0.12164634       2.49393376       0.27142525      -2.16072666      -0.79888383 
Hf      10.23077884       1.82768665       2.82495025      -3.05039087       1.13090603      -4.51087826 
Hf       2.47797092      10.20792004       7.91027693      -2.75707565       2.05481150      -0.16516593 
Hf       7.42043930       9.99606301       7.41779167       2.91154527       0.15606349       4.26166605 
Hf       2.33432923       4.85102027       8.43112601       0.62457553       3.31658330      -0.47089034 
Hf       5.32181015       5.28527463       4.83389632      -2.40706031      -1.56010885       0.17797002 
Hf       0.38251125       5.29815738       4.79940286      -4.08968002       4.67171434       1.46518643 
Hf       3.12763087       7.60610833       5.08690236      -4.81790266       2.33956471      -0.79542169 
Hf       5.10742250       5.66900823      10.31424543      -2.49605869       1.59459412       0.03745486 
Hf       5.00193492       7.71137140       2.35918729      -2.41488931       4.66444402      -1.05294268 
Hf       4.76320697       7.85400038       8.00947934      -0.68985181      -0.75265516      -3.24883634 
Hf       8.00465578       7.84006589      10.11467310      -2.55296362       2.50249455      -1.78775047 
Hf       7.45691087       5.01781403       2.54176440       3.73114997       0.27434794      -2.05645335 
Hf       2.40429201       4.81911113       2.13345365       2.75527315       2.64042102      -6.70744284 
Hf      10.42709168       8.01958739       2.65316548      -0.59728478      -0.59320379       0.75684332 
Hf      10.19365063       4.74170354       0.12042493      -0.79578421       0.31926919       1.77857914 
Hf       7.92210824       2.06490182       5.23894391       1.04347192      -0.71107167      -1.45215791 
Hf       0.24594733       7.45013610       7.54719179      -1.39524972       0.37243928      -1.09147355 
Hf       5.28780955       0.14128449      10.18159932      -0.72296989      -3.69757343       4.10682951 
Hf       1.94778138       7.71053023       0.02671027       2.04474010      -1.51421712      -2.88891716 
O       1.54289664       8.52117154       1.57143588       0.38068230       3.57197914       0.91728517 
O       1.11443909       6.31782639       1.64494094      -1.50973310      -1.72612076      -1.20279412 
O       3.37189921       1.34840733       6.53264106       3.63150117      -0.84660011      -0.18839465 
O       1.26138852       1.63127795       3.90455427       3.79576985      -2.23093602       0.74322838 
O       3.23165381       4.35940475      10.37352504      -0.38900455       0.25828447       1.22618808 
O       1.23097133       1.09658239       9.04200639      -3.49604419      -0.22026971      -4.13820375 
O       4.13494809       4.37053462       2.97401772       3.68390239      -4.13625551       0.00921020 
O       5.91323303       4.08058184       0.91645082       1.33428287      -0.26638974       2.99551614 
O       4.01773806       1.17056179       3.82103881      -1.03953014       0.67948673      -0.08952403 
O       1.67818379       4.44545366       3.72318183      -0.09955283      -3.25460932       5.74071808 
O       1.24725465       0.88345508       0.76474734       0.45063695      -0.58889683       4.54777334 
O       3.82383255       6.36899072       3.53700927      -1.08258413       3.19628165       1.99785192 
O       3.70198505       1.83258149       1.33711681       0.12883655      -0.07712684       0.00328861 
O       8.94821836       0.50621870       4.18805077      -0.06654239       4.85363884       1.10777004 
O       1.99180316       9.72522737       5.99661264      -1.24216743      -1.20804826       0.46370468 
O       6.31728769       1.39161923       4.12111481       1.60964263      -0.13038090      -0.41972899 
O       5.63704372       9.53488895       8.51620889       0.27814139       2.03321688      -0.25623081 
O       1.20981297       1.50768740       6.54244799      -3.32652588      -0.38413194      -0.25468496 
O       3.33279759       3.18640884       8.21347039       1.07929805      -0.21505052       0.09351357 
O       0.79979487       9.18364726       9.14581456      -0.83184079      -1.56693728       0.13621522 
O       1.09891008       3.45935876       1.41703159      -0.65809362      -0.49337849      -0.73175338 
O       4.15026276       9.06744167       6.45852320      -0.30566514       1.88617410      -0.05382681 
O       8.04270052       9.98496664       9.27564704       1.26396827      -1.26301123      -0.41122653 
O       0.88289765       6.21177343       9.43430155      -0.17590785       0.39938107      -0.54223769 
O       0.63980571       9.80558622       3.12346867      -0.14498356       3.09620826       2.80740432 
O       4.64547018       6.92476415       6.01502970       3.21457850      -4.78526088       1.22011657 
O       4.05397069       9.55024433       1.07313779      -1.59886902       1.14911766       1.82094479 
O       3.11076009       9.27335735       3.94735046       1.89553272      -0.78159749      -1.44040336 
O       0.83970584       3.71318389       9.24090407      -0.97564852      -1.54955438       0.28469827 
O       8.93839373       3.62537603       1.83987120      -2.35492550       2.37656044      -1.63576255 
O       6.43094654       1.26946560       6.60409506      -1.34545139      -0.51395655      -0.13603013 
O       5.69209771       4.32669777       8.88008768       1.87300602      -2.19630716      -0.97688398 
O       3.89234126       3.46236486       5.55196691       3.34659160       2.32138611       0.34902783 
O       1.33202469       3.98336267       6.90596424      -1.69522637      -1.59280172      -4.04364261 
O       8.38318056       4.62768193       9.14437002       0.03780192      -3.66557224       0.21116407 
O       8.90385234       3.35610090       6.52100474       0.08146605       0.17012077       0.91228997 
O       6.37011762       4.14335591       6.25088353      -2.65900766      -2.28706919       1.82324640 
O       6.04291835       1.42977513       9.07580259       2.17641522       6.94953156      -1.55144171 
O       6.53187692       1.33718610       1.36679875      -1.70586592       1.81203581      -0.64498861 
O       9.07485603       1.82413087       9.49680873       1.20825372       1.19882545      -0.32458947 
O       6.47737199       9.16143107       0.75290389       1.23719184       0.27802227       1.35289441 
O       9.95779314       8.96124637       6.43849864       0.20395288       0.74406761      -1.20591388 
O       2.02841382       6.40882926       6.75456553       0.00387916       0.70306652       0.59446009 
O       8.81896079       7.68985091       8.14735959      -0.91973929      -1.31323297       2.15943310 
O       8.75645810       6.17013386       0.12737826       1.20520173      -0.74428067       3.09284548 
O       9.80528407       5.94779305       6.37559269       1.13328889      -0.06624735       2.61860678 
O       6.65334387       8.48711453       6.45034868       0.98482044      -0.36007978      -1.19583212 
O       6.04107986       7.22540596       9.27147071       3.35905719      -2.01382061       1.78615280 
O       3.85938770       6.37433340       8.92020641      -2.51177137      -2.54401489      -0.57963921 
O       6.25679923       6.69644421       1.34674163       1.95475100      -3.23860186      -0.43504051 
O       9.48667923       6.31308530       3.35573605      -1.92312058      -1.88774365       0.62640751 
O       9.05285419       0.72097078       1.61088089       0.64301549       0.04298231      -0.51063023 
O       8.51212205       8.93852111       3.66358928       1.48457559      -4.12912340      -0.42467177 
O       9.23515833       8.71896095       0.92338604       2.07541881       0.32999132       0.83476947 
O       6.75954472       3.77760816       3.86450578      -0.56564516       1.02033216      -1.60342728 
O       6.10282311       6.78411486       3.78543364       2.40856790      -2.18813976      -0.38846102 
O       6.10398894       9.24291054       3.66313745      -1.61847212      -0.90966204       0.12953675 
O       8.93263774       0.91054286       6.88115683       0.88130948       0.50519535      -1.68207800 
O       1.14963431       7.32300463       4.53893975      -1.03023929      -1.76778716      -1.29362358 
O       9.81671556       3.21557448       4.10089275      -1.16585145       1.09779432       2.58922425 
O       3.58032950       6.99105329       1.03243066       1.83047234      -1.67995979      -0.57559959 
O       3.04393110       8.64247543       8.76445365       1.30286669      -1.94705272       1.71987346 
O       3.56820378       0.90743241       9.05585935       2.06955646      -0.46116427       2.16914418 
O       7.84661710       5.74233181       5.43238943      -2.97904157       1.73751007      -1.66406387 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.028551699167323166 -0.011341353571197987 -0.002993999274315213 -0.011341353571197987 -0.023254339132346428 -0.0010871572006401356 -0.002993999274315213 -0.0010871572006401356 -0.02291133651773731" pbc="T T T" energy=-931.19518046 free_energy=-931.19522119 config_type=crystal 
Hf      10.12825519       0.06396115       9.98827982       1.80787968      -0.10742522       0.48304298 
Hf       5.27387192       2.04508658       2.91566468       0.70176263      -0.85209601       0.92878345 
Hf      10.19012697       2.70194603       8.08356737      -0.25499721       2.33213460      -3.44202635 
Hf      10.27503444      10.22779064       5.32323471      -1.75487524      -0.72215909      -0.37784075 
Hf       7.43581520       5.44324036       7.15460933       0.52390047      -3.36357107      -2.11270685 
Hf       7.91965046       7.76965484       4.77496816       0.96723993       3.37839414      -1.31493707 
Hf       7.75114370       2.63299198      10.23048370      -1.15251445      -0.05279071       1.84329248 
Hf       8.01323733      10.17897147       2.11791271      -0.64799477       1.21674250       3.33758480 
Hf       2.20686808       2.43285396       5.31987150       1.31367045       0.47560746      -0.20190942 
Hf       5.05729516       2.54778005       7.75400892      -1.33716033       2.13276734      -2.31844362 
Hf       5.02656158       9.88690085       5.30827086      -0.28149709       1.63940283      -0.71911873 
Hf       2.58693128       2.72549006       0.46583978      -0.44268651       4.28177184       1.04991121 
Hf       2.47301078       0.17325936       2.31656830       1.17717689      -3.03199522       3.19865660 
Hf      10.36879516       2.21548291       2.15704865      -1.19996581       1.30932944       0.50334293 
Hf       2.46497755       0.19014008       8.44922113       3.32009445      -4.18523206      -2.50837877 
Hf       7.48924661       0.15673072       7.74169565       5.41750906      -3.58705405       0.06094094 
Hf       1.97055405       4.84075869       8.00830765       2.55125247       4.04657452      -1.43152522 
Hf       5.02522839       4.95908944       4.79046996       2.37006600      -2.24771862       0.79811391 
Hf      10.40948209       5.29343325       4.84335075       1.19506734      -0.04547890       2.42175158 
Hf       2.18049901       7.98798407       5.13801311       1.83473817       0.58118560       2.81427562 
Hf       5.29922032       4.84597169      10.46498791      -2.05511674       6.19723187       2.97957142 
Hf       4.77289543       7.93152007       2.53889394       3.08013950      -0.68248465      -1.40681553 
Hf       5.02135894       7.45195460       7.74661644      -4.84554385       0.44704779       0.15661591 
Hf       7.38098005       7.48136755      10.01692350      -1.72809485       2.22646485      -0.22591052 
Hf       7.65774427       4.94788485       2.78071224      -0.83930391       0.43186659      -0.95170292 
Hf       2.74005639       5.52452548       2.82215327      -1.42369143      -4.76071578      -2.96788439 
Hf       0.21172516       7.76435989       2.31157676      -0.15571542       1.83327167      -1.59584671 
Hf      10.24560788       5.16247450      10.39727704      -1.69890366       0.00073216       1.90972856 
Hf       8.49710211       2.45885901       4.82690939      -4.06540225      -1.81890720       5.31218581 
Hf       9.98252184       7.72481775       7.65206562       2.76275215       2.61117089      -1.30513737 
Hf       5.33932921       0.14592206       0.02377240      -2.48090173      -1.37808610       0.07293535 
Hf       2.38732065       7.60856673      10.13117851       0.48892012       2.24993041      -0.63014166 
O       1.50003483       8.96958845       1.09226226       1.17289830      -0.99153148       1.95369968 
O       1.11728443       6.22978252       1.04344947      -0.62270672       1.59573628       1.18021695 
O       3.29946296       1.20053301       6.90330509      -0.01206154      -0.69409776       0.07165377 
O       1.52579288       1.42753850       3.72042420       0.62367905      -0.34216454      -3.89197422 
O       3.60858751       4.52179999       1.09772373      -0.88273616      -1.96600519      -2.39542187 
O       0.91650682       1.20211047       8.81934772      -1.66052946       1.53382469      -0.35104009 
O       4.20363766       3.78506774       3.24933729      -0.69072969       0.60454737       1.41885987 
O       6.83756082       4.13278044       1.07753370       1.30198782       0.09441956       0.38457796 
O       4.11567291       0.73543486       3.89684948      -1.10003183       2.30785739       0.43994430 
O       1.72216412       4.30669687       4.64220033       0.07701526       0.84165099      -1.96328871 
O       1.03707713       1.00207114       1.12897748       1.93236113       0.53092215      -1.60283747 
O       3.92373275       6.56377644       3.93559011      -0.57813750      -0.31673781       3.40558013 
O       3.79274072       1.46017881       1.52430721      -0.84848592       1.72045164      -0.34375531 
O       9.02941022       1.39064159       3.32016353      -0.29266309      -2.06313367      -0.51436050 
O       0.98780310       9.05317257       6.43054516      -0.67831381       0.21130621       0.23221839 
O       6.49240396       0.60939847       3.66651960       0.86963059       0.80148585       0.09891655 
O       6.32692214       8.69481752       8.42093015       2.44365902       0.95095996       0.45238708 
O       0.30886928       1.65318789       5.54090759      -1.63331604      -0.46698545       2.28507097 
O       3.58660514       3.88494888       8.67661335       1.15527421      -0.26491019      -0.97533078 
O       1.22299870       9.14620484       9.01064966      -0.59877877      -1.53621431       0.85419376 
O       1.09604255       3.66032811       1.89261666       4.67701261       1.11103491      -0.52636507 
O       3.60663368       8.52757163       6.65215669       1.50645831       0.48371582      -1.60539358 
O       9.04470740       9.31047007       9.15637548      -2.76888685      -2.95791980      -3.06992906 
O       0.37250158       6.42201490       8.93593344       3.04617152      -0.99269185       1.82739145 
O       1.23110760       9.29552738       4.00951090      -1.47497986      -0.00341535      -2.50110808 
O       4.97904754       5.66709229       6.73716055       0.61122587       1.31506699      -2.09714395 
O       4.28565112       9.55593910       1.49357771      -0.38714375       0.49827408       0.16707526 
O       3.68358443       9.05769167       4.08967937      -0.87661459      -3.33005117      -1.76985769 
O       1.28232950       3.86256744       9.53881786      -2.74458146      -0.63960363       1.23921420 
O       9.42428037       3.76324770       1.17007438      -2.99849630      -0.51630280       0.54213438 
O       6.17582894       0.46124512       6.51147108      -4.09824167       1.26035183      -1.66989222 
O       5.62842899       3.26204566       9.71262041       1.92289023      -3.80888651      -3.54961867 
O       4.05315924       3.15761622       5.71337874       1.99651877       1.86998156       0.97481799 
O       1.23581844       3.49752543       6.81529000       0.24233838      -0.33278961       1.45752398 
O       8.97645219       3.86021097       9.26382065       0.38115028       2.78258077      -0.45231018 
O       8.90874738       3.61169346       6.80385065       1.68066814       3.61359308      -1.92383982 
O       6.60973708       3.65540042       6.64303289      -2.57130588      -0.44718268       2.55462396 
O       6.33923887       1.22388551       8.85736923      -1.96642803       0.82783998       1.99233072 
O       6.23089790       1.58571774       1.02696228       0.54494430       0.69963332       1.71447735 
O       8.91176940       1.59090751       8.87171755      -2.19206318      -4.21904839       0.43011564 
O       6.97119044       9.78431346       0.50499551       0.06086213      -2.81139001      -1.74573569 
O       8.68217289       9.21086053       6.52219600       1.13913078      -0.86395552      -0.60840907 
O       1.00112877       6.28114424       6.59014017       1.55776834      -0.08377874      -0.80372105 
O       8.61122440       6.69706737       8.48311560      -3.58463372      -1.26068826       0.06767990 
O       8.66553299       6.53642030       0.73056337       0.60810387      -0.57349918       0.10899896 
O       9.27587269       6.78722834       5.97680965      -1.28751224      -1.28370355      -0.54935327 
O       6.27665644       8.32691563       5.48350111      -2.41284244       0.28643562       1.66179071 
O       6.24378378       5.90824526       8.74149500       0.80161172       0.24696479       1.96975985 
O       3.24159513       6.65220484       8.53987789      -0.83037365      -1.04015552       1.45481520 
O       5.41163401       7.31544992       0.35071472       2.94148037      -1.11094771      -0.65426163 
O       9.57181873       6.28792215       3.24339458      -3.75838961       0.12363166      -0.36681170 
O       8.93696761       1.21877800       0.63672583      -0.83522371       1.43467103       3.16360626 
O       8.97109967       9.43205184       3.91224724       1.82073790      -1.48059652      -0.18578588 
O       9.55127640       9.41563508       1.05801497       0.11281035      -3.04269721       4.05847363 
O       6.88431668       3.54879212       4.15650658      -1.69034935      -0.24200696      -2.62201161 
O       5.68712658       5.73136501       2.52568151       2.70510032       0.77715995       1.48260600 
O       6.90944551       8.66661729       2.98162812      -1.32589481      -2.57543034      -0.88695776 
O       8.45012687       1.36153592       6.51670690       1.19549587      -1.55834947      -1.29776563 
O       1.14267104       6.66974472       3.97599184       2.65910848       1.08307883      -2.20743245 
O       9.32923639       3.82317193       3.87364476       2.61262638       3.28115792      -1.34884061 
O       3.37025152       6.91198408       1.54642155      -1.33186155       1.53676802      -0.22761459 
O       3.86555051       9.07382123       9.24713690      -0.80777841       1.47938274       0.97753694 
O       3.24600977       1.50929595       9.60473692       2.48092199      -1.29155356      -0.30078335 
O       7.11029921       5.92662882       4.94992963      -0.44133331      -1.33609761       0.05214514 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025335460387464422 -0.002819119878147207 0.0038305070616594036 -0.002819119878147207 -0.02498826098836057 -0.004867616927343445 0.0038305070616594036 -0.004867616927343445 -0.03326363452575478" pbc="T T T" energy=-931.41059756 free_energy=-931.41102701 config_type=crystal 
Hf      10.13162353       0.02271919       9.84044464       0.67007907      -5.07958466       5.58474231 
Hf       5.27903542       2.06298169       2.88187058      -0.29043135      -1.49854370       2.84868203 
Hf      10.22156210       2.61803871       8.04037253      -3.05161120       2.87504534      -1.81328666 
Hf       9.98784662      10.24505369       5.32472970      -0.46419290      -0.64229924      -2.13141733 
Hf       7.34040437       5.50138754       7.25951823      -0.73342076      -6.56029081      -4.72541100 
Hf       7.90932723       7.86838418       4.78418919      -0.77195004      -2.58933829      -0.96225679 
Hf       7.73414313       2.55102677      10.36802223      -0.96996957       2.84873174       2.13412025 
Hf       8.14538713      10.23946453       2.16471378      -4.17161785      -1.30194475       0.50910022 
Hf       2.25303187       2.38283201       5.27004600       1.17393891      -0.92344929      -2.75276612 
Hf       5.07649551       2.55482768       7.76395736      -3.13057297      -1.01243292      -1.94853541 
Hf       5.13349809       9.82965084       5.39981348      -3.16545611       1.44242521      -3.51280945 
Hf       2.69734885       2.84366288       0.40733341      -1.50932280       0.17528336       0.86524628 
Hf       2.50847843       0.14374237       2.36083844       0.12839053      -2.37755259       0.33954686 
Hf      10.35017736       2.18735354       2.19251233       2.12952527       2.54273118      -1.18670423 
Hf       2.46394935       0.19762111       8.39108034       0.43494087      -1.51190571      -3.53227917 
Hf       7.47691460       0.09866926       7.66037882       0.57120669      -2.20153765       2.74999848 
Hf       2.06054077       4.86222204       7.87706925       1.40943549       1.78826900       0.58482349 
Hf       5.08048302       4.86442444       4.82982308       1.76246194       0.95742535      -0.51684553 
Hf      10.41998084       5.26353058       4.85585116      -0.14639721       4.04734567       1.06893485 
Hf       2.19340153       8.00716181       5.19961371       0.89759068       1.02864258       1.08589126 
Hf       5.40726898       4.84598593      10.37802090      -0.37197152       0.00205229       3.09357416 
Hf       4.79003174       7.85418605       2.52867558       3.14954753      -0.80655999      -1.49556116 
Hf       4.95032421       7.44895813       7.74570033      -1.04346951       2.43259388      -1.88516118 
Hf       7.28589546       7.50174608       9.79397701       1.85692469       2.92513552       5.42397406 
Hf       7.55129684       4.85309897       2.86702595       1.37133352       3.71208144      -1.75997010 
Hf       2.77549725       5.47639823       2.93338961      -0.58257622      -3.00465518      -0.94286639 
Hf       0.28977600       7.79596028       2.36295994      -1.75950893       1.76461171      -0.49793398 
Hf      10.26943680       5.29156493      10.30005881      -2.53764025      -0.06670463       3.67411946 
Hf       8.40377752       2.57927358       4.89750276      -0.64152961      -2.24194482       1.37993733 
Hf       9.90277661       7.82200667       7.66577069       2.42822857      -0.91628523      -0.60641462 
Hf       5.26351206       0.08142902       0.04487488      -0.30868239       0.18956805       0.67494873 
Hf       2.55009036       7.67385081      10.18599083      -4.19886554       2.84205367       3.29566161 
O       1.44822735       8.98463812       1.12747684       3.05062851      -0.26119853      -0.40615521 
O       0.96959306       6.48098953       1.14144482       1.09636179      -2.21996948      -0.88459610 
O       2.87779117       0.97580663       6.46332687       0.56640203      -1.44257140       2.94772782 
O       1.55330078       1.45315641       3.38147704      -1.88352929       2.91942281       2.30383022 
O       3.76025405       4.33444067       1.04848089       1.21418303       1.80661587      -1.64148569 
O       0.81830906       1.23911833       8.82947534       1.16629740      -1.39667885       0.24289123 
O       4.25395517       3.66802935       3.39928853      -2.19193643       1.68858702      -0.97178631 
O       6.94377014       4.00338524       1.12413351      -2.73684747       1.33030595      -0.96205900 
O       3.90667703       0.90816944       3.94422086       0.57514799      -0.64361025       0.47534979 
O       1.68522733       4.33742887       4.73347815       0.48955259      -0.86225719      -0.54969687 
O       1.06092436       1.01583053       1.01924681       0.06127939       0.88631311      -1.56200215 
O       3.80096056       6.51076409       4.56305618      -0.89726893      -3.55840198      -2.02907680 
O       3.77207918       1.60143232       1.52302792      -0.30434041      -0.05639075       0.26834871 
O       9.02458415       1.28467906       3.39980283       1.02082356       1.05040124       1.51750560 
O       0.54470166       8.92603849       6.37874470       0.89024550       0.78705554      -0.56657260 
O       6.62975096       0.88018994       4.00767052      -0.86500706      -0.99986327      -0.37046741 
O       6.82302777       8.68464365       8.23130176      -5.81770664       0.40528018       0.06432996 
O       0.15759198       1.57270616       5.64315609       1.48587731       1.66432730       0.49314356 
O       3.69901223       3.87445715       8.52447342      -0.70465376       2.02022445      -0.04413632 
O       1.11190146       9.01423266       8.87588760       0.50475303       2.09217022       0.88730003 
O       1.39245653       3.69385470       1.90986307       0.39319345       0.12456305      -0.08898842 
O       3.64536218       8.63255337       6.58635569       0.99218909       0.89778058       0.25715814 
O       8.91238418       8.87328005       8.97740503       2.43509445       3.73854777       1.99085419 
O       0.70243347       6.60879659       9.06385249      -0.39504519      -1.69577516      -1.32398730 
O       1.15793536       9.40339371       3.86833703      -0.02699672      -1.10348378       0.34821204 
O       5.28189573       5.99911919       6.53410947       0.13237671       0.03927388       1.78713550 
O       4.21784961       9.62782807       1.55209005       0.53535256      -1.32536212      -0.26533049 
O       3.84793559       8.65731828       3.97325179      -0.88547896       3.00871850       1.36246763 
O       1.36382886       3.81445651       9.60901456      -2.66586226       1.64307455      -1.84432381 
O       9.22905382       3.77882905       1.10487204       1.62229811      -1.90082802       0.29364296 
O       6.00915952       0.54360595       6.61196313      -2.81629328       1.10486039      -1.09109472 
O       5.81973585       3.09790812       9.51539032       1.34131321       3.46975382       2.05822262 
O       4.24697631       3.25608296       5.66144849      -1.91145771      -1.02437693       2.96203488 
O       1.35637295       3.12046634       7.14298913       2.18895820       2.29171067      -1.27064059 
O       8.56798728       4.44614067       9.26935518       0.74373256      -1.50755051      -1.59606466 
O       9.11442370       3.61750555       6.69413997      -0.23476638       1.67067208      -2.00980935 
O       6.37862988       3.60306533       7.02191676       3.02534441       1.83203635      -1.12770369 
O       5.92368541       1.10764130       8.84109094       2.81272036      -3.58284818       0.77572121 
O       6.23978433       1.52243083       1.19610444       1.80782012      -0.54197412      -0.92994703 
O       8.90081191       1.35448317       9.11387632      -2.08261739       0.43884869      -3.22162556 
O       6.93811588       9.49476782       0.38920156       0.27476587       0.67591464      -1.05700994 
O       8.45999985       9.13091320       6.35173614       1.37680672      -0.28985632       0.21664662 
O       1.43966192       6.53736781       6.44836795      -0.24304774      -2.47573535       1.29668790 
O       8.08319059       6.87672053       8.13744946       4.90084005       0.88180534       0.49536211 
O       9.02558074       6.61602486       0.65840844      -2.09522396       0.74540816      -1.54200783 
O       9.16620575       6.63556494       5.98147223       0.36576779      -0.58225848       0.71832265 
O       6.15648343       8.23281706       5.72050811       0.25711421       0.37469184      -0.38332371 
O       6.10056514       6.04558598       8.82468454      -0.58472646      -1.35068266      -0.13458671 
O       3.12313993       6.90278953       8.54583274       2.37144588      -2.24410191      -0.72997176 
O       5.63273950       7.01789774       0.40476082      -1.24236995      -0.59707134       0.02303923 
O       9.31770515       6.40793765       3.44045104      -0.49648264       1.67280063      -0.43458403 
O       8.92203328       1.23485953       0.96051761       0.26019454      -0.20265961      -0.83744459 
O       8.86261604       9.33404666       3.81890235       0.61787173      -1.03903646       1.17083354 
O       9.74023423       9.42112994       1.49922349      -1.10540023      -0.39248482      -1.27720383 
O       6.86507531       3.39372846       3.95350166      -1.65625412      -0.57175457       0.06103040 
O       5.69711626       5.59052586       2.78317012      -1.16026867       1.37684246      -0.45332596 
O       6.67806933       8.37670313       2.52429683       1.51470607       0.72248193       2.83012713 
O       8.40489949       1.08334904       6.27505364       1.03117649       0.40956248      -0.20239997 
O       1.31434079       6.71361349       3.97980458      -0.79601849      -1.05235792      -2.94193757 
O       9.28690134       4.12259798       3.79035432       0.49102394      -3.84919687       0.67891521 
O       3.14246148       7.01584197       1.65853685       1.30974493      -0.81735911      -0.09780725 
O       3.82536491       9.66232708       9.30066461       1.16850679      -5.07552294       0.55026397 
O       3.38130927       1.36659131       9.61876508      -0.10126277       2.17798476      -0.83197972 
O       6.97572837       5.82376984       4.77742824       1.51700471      -0.03877658       1.46073823 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.051564573104773144 -0.010740392236785783 0.0017453101010822091 -0.010740392236785783 -0.05484326670309632 0.008980975201607436 0.0017453101010822091 0.008980975201607436 -0.06076908464148275" pbc="T T T" energy=-924.54885372 free_energy=-924.54887665 config_type=crystal 
Hf      10.14736920      10.35316075       9.78718068       2.93009148       3.08129857       5.62053099 
Hf       5.28053826       2.04362121       2.89959697      -2.51094197      -2.47070384       1.44127413 
Hf      10.21214922       2.58836149       7.95057599       2.52137424       2.15493275      -3.48769581 
Hf       9.68814510      10.25931986       5.27926850       6.23468534       2.00291362      -1.37362356 
Hf       7.23807090       5.44653146       7.28438163       5.22861057       2.61878329      -1.12634903 
Hf       7.86981366       7.91277364       4.77643918      -1.94012415      -5.62638066      -0.69950118 
Hf       7.69289521       2.52149566       0.09067298       0.57318107       1.77890921      -0.09084424 
Hf       8.20083999      10.27999782       2.23891318      -4.48060112      -2.59570039       3.01280510 
Hf       2.32457076       2.31121986       5.17293672      -0.42629886       0.37097788       1.86260570 
Hf       5.04045284       2.55771813       7.74306829      -0.32007554       1.51983679       2.59728825 
Hf       5.16296704       9.78700935       5.40740682      -2.67593516       4.94447396      -2.28438264 
Hf       2.77660436       2.99077756       0.36372798      -2.58216955      -1.31007978      -1.55504980 
Hf       2.55014322       0.06341031       2.42163471      -0.88022413       0.17205778       0.46612447 
Hf      10.36209867       2.21084576       2.21075355       0.87827195       1.77251039      -0.56029402 
Hf       2.49011977       0.16152434       8.27073903       1.06100892      -0.48983251       2.86013972 
Hf       7.46433747      10.45140644       7.61812970      -3.56244112      -1.73914513       0.25220683 
Hf       2.18441536       4.93296989       7.74970847      -0.37643612       1.38071457       2.29687577 
Hf       5.17291705       4.77447583       4.87042901      -1.81051992       1.28291509       2.32449581 
Hf      10.43026137       5.29580887       4.90896315      -0.78990886      -0.74637400      -0.49310284 
Hf       2.23124072       8.04172298       5.28932464      -0.08158106      -0.43988727      -0.21692820 
Hf       5.51110865       4.86989826      10.34882000       2.30295167       2.06174410      -4.51938008 
Hf       4.86847852       7.75342083       2.48950718       2.06306561      -1.30239437      -0.18946072 
Hf       4.84941895       7.50283551       7.71738298      -0.01568562       0.75477990      -1.83071816 
Hf       7.21819181       7.57695682       9.65699748       1.58796568      -0.90408184       3.06558197 
Hf       7.46097291       4.82493997       2.92263758       1.13237524       4.09296411      -1.29829320 
Hf       2.80496421       5.35407881       3.02198379      -0.68432159      -1.24855259      -2.01840512 
Hf       0.33954697       7.85789318       2.39742346      -1.54430908      -0.44717934      -1.79735616 
Hf      10.24277562       5.43047872      10.26691455      -1.90343671       1.33520286       0.56745880 
Hf       8.28382398       2.66062578       5.00912301      -0.02502683      -1.32908011       0.77928006 
Hf       9.87648217       7.90982552       7.66660443       4.70436400      -1.65401852      -0.04976069 
Hf       5.17451084       0.01013275       0.08278900       0.28850107       0.26280223      -0.19278816 
Hf       2.64836547       7.79488205      10.29779863      -1.32489310      -2.34142069      -1.18672211 
O       1.94317332       8.96665028       1.19252239      -2.64270921       1.77486655       1.05948036 
O       0.97633099       6.38930855       1.10507331      -0.91802474       0.42076101      -0.18114070 
O       2.53827203       0.50360089       6.49973763       0.25084831       1.62629224      -3.07378779 
O       1.32215726       1.94975520       3.43710646       2.05880698      -2.73429875       0.66362386 
O       3.99495513       4.39398717       0.66278436      -3.98671703      -0.56445087       2.50743261 
O       0.79011437       1.16899165       8.79311471      -0.52598232       0.98382562      -1.73853711 
O       3.90516916       3.85242736       3.46402291       3.57529544      -4.28820422       0.46001458 
O       6.69345443       4.11122551       1.14072087       2.75560757      -1.46235849       3.32213829 
O       3.76849116       1.02175084       4.07168944       0.52513442      -0.71504386      -0.70193444 
O       1.70942927       4.21500416       4.67401014      -2.45351171       0.35347582       0.45713866 
O       1.17066572       1.17395639       0.61495875      -0.05935742       0.37830916       3.48733646 
O       3.47758732       5.83402525       4.87652954       1.87041400       2.20485055      -0.76617603 
O       3.70891629       1.72501857       1.58773248       0.69554862      -1.55418011      -0.49024494 
O       9.17646964       1.27925788       3.74413160       0.03139419      -0.94451626      -1.91468882 
O       0.35509347       8.91837085       6.23190129       3.39762599      -0.61526887      -0.68444020 
O       6.59525259       0.93801769       4.24996745      -1.44306691      -1.70814395      -1.71079090 
O       6.32082537       8.71907221       8.09468112       1.24035803       0.52043951       1.27729676 
O       0.24578866       1.75149052       5.92934585      -0.49557381      -0.54554763       0.51001584 
O       3.82630498       4.20915973       8.36448834       1.80898482      -0.91438697       2.40817271 
O       1.09787371       9.22287248       8.93754430       0.84235602      -1.20032346       0.27243869 
O       1.93926168       3.88034417       1.87721093      -2.85939578      -0.66199762      -0.85668532 
O       3.83824305       8.89460064       6.54254020      -2.68274156      -1.21003887       1.01384194 
O       9.07492039       9.10570819       9.08084489      -3.75617103      -2.36462993      -2.45781639 
O       1.00245358       6.47457710       8.97819470      -1.86735501       0.67148676      -0.28413253 
O       1.08055132       9.32727377       3.72153843       1.98696095       0.54310535       0.29794671 
O       5.59868007       6.22922624       6.50770032      -2.51313008      -1.96370117      -1.89532181 
O       4.22792793       9.46351020       1.61240341       0.67759453       1.28603801       0.68226867 
O       3.78238462       8.66963972       4.05409775       0.65259818       0.22233247      -0.22985942 
O       0.83779095       4.00159866       9.33014915       0.36728419      -2.45086622      -0.90461577 
O       9.22373531       3.47389987       1.11005846       0.46623663       2.91646607      -1.25324277 
O       5.65242600       1.02728495       6.73728824       1.17788319      -3.72828997      -2.14561607 
O       6.29253607       3.18809610       9.44309964      -1.92168052      -1.39331683      -0.78450440 
O       4.17692122       3.25407848       6.12982099      -0.22928814      -0.03026235      -2.84116548 
O       1.80984796       3.08881446       7.25365507      -2.05085162      -0.75214324      -1.19947742 
O       8.36260349       4.78120664       8.92404991       2.48545123      -1.61636827       1.32646773 
O       9.34532922       4.02230865       6.16561634      -0.06893749      -1.92748202       1.40326097 
O       6.58988249       3.78144476       7.23778569      -1.63775930      -5.89815121      -2.99880746 
O       6.06599088       0.46559016       8.98884040       1.19042613       2.79570562      -1.02189211 
O       6.56013367       1.36728354       1.30329309      -2.16228475      -0.99910919       1.09463198 
O       8.59959112       1.10584362       8.69394035       2.95261167       3.28817870       2.49662965 
O       6.89581046       9.27983812       0.05039350      -0.64036568       1.70160015       2.97269929 
O       8.49309942       9.00983748       6.33120177      -0.47990500       0.77586189       1.78368362 
O       1.83945820       6.39965103       6.46753837      -2.44693561       1.95977097      -2.07528269 
O       8.26612679       7.14589915       7.94408788      -3.53105094      -1.59425192       2.04810576 
O       8.94610774       6.87683848       0.25436613      -1.18425347       0.16958582      -0.57219892 
O       9.14821247       6.35972604       6.03189713       1.80567933       2.49308595      -0.61594966 
O       6.11396271       8.27397665       5.81021527       2.23594602       0.53403419      -2.52949114 
O       5.95549073       6.04932262       8.77554584       1.52126977       1.22292578      -0.47237189 
O       3.37386592       6.68734437       8.54635134      -1.48983458       0.22732709       2.75965284 
O       5.73705841       6.69899691       0.53225358       0.04269434       2.77602624       1.13030748 
O       8.86588191       6.85714632       3.37954529       2.67714534      -3.59369762      -1.37019576 
O       8.93018373       1.21964303       1.22673053       1.03480627      -1.05599072      -3.48834093 
O       9.04794303       9.11676594       3.87596710      -1.04766795       1.76879911      -1.15297576 
O       9.71782871       9.35552864       1.69425736       0.85400755       0.66091900      -3.81901763 
O       6.52218198       3.23329438       3.69616061       2.85190516       3.19364932       2.33688430 
O       5.57521915       5.74205466       3.00901439      -0.18284885       0.20754703       0.00657931 
O       6.78066813       8.18088032       2.62150397       0.82911170       2.57993621       2.18645494 
O       8.43080658       0.92462901       6.06131500      -3.40461975       2.68891607       2.93869087 
O       1.42841892       6.69855283       3.54015646      -1.74392772       0.37776879       4.75547339 
O       9.32404610       3.74449405       3.71636645       0.13787753       2.11290292      -1.31644628 
O       3.17842209       6.97945308       1.71514947       1.93377114      -1.00063531      -0.90186124 
O       3.86212482       9.31994910       9.45220555      -1.06155996      -1.26574278      -0.12295360 
O       3.62255057       1.52325891       9.34261502       0.23098696       0.22228952      -0.50247191 
O       7.12512877       5.60501160       4.87381775       0.62721263      -1.88131663      -0.72411587 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.05390819339060973 -0.011594131800977531 -0.00442674509035003 -0.011594131800977531 -0.05698827613300798 0.0068193726884770685 -0.00442674509035003 0.0068193726884770685 -0.05941671470806173" pbc="T T T" energy=-924.65587447 free_energy=-924.65588936 config_type=crystal 
Hf      10.15810375      10.31936560       9.79091523       3.43955305       5.89013584       6.47180251 
Hf       5.27484590       2.03415977       2.91079727      -2.50869604      -2.92974787       1.75572850 
Hf      10.21495018       2.58960069       7.91604318       2.03789479       1.91468630      -3.10652978 
Hf       9.62849268      10.26988643       5.26057179       6.11283932       2.26301327       0.84973509 
Hf       7.22188377       5.42943429       7.28358557       6.97618693       2.69064311      -1.11726319 
Hf       7.85088417       7.90183311       4.77349022       0.29808125      -4.49421635      -1.93504876 
Hf       7.68195678       2.52193063       0.13857322       1.81982672       0.62972654       0.29802321 
Hf       8.20073481      10.28019009       2.26696563      -4.33443188      -1.75590503       1.96347654 
Hf       2.34265750       2.29278156       5.15132046      -0.54461159       0.81110758       2.74184353 
Hf       5.02677792       2.55811689       7.74339735       0.52537379       1.21725832       2.46517706 
Hf       5.16307045       9.78854547       5.40370618      -4.25015273       7.29714730      -3.12646729 
Hf       2.78653271       3.02566727       0.34669162      -2.77525240      -2.98189935      -1.17147147 
Hf       2.55699491       0.04312033       2.43790714      -0.60435655       0.95952762       1.32357841 
Hf      10.37014122       2.22431471       2.21391351       0.65797399       1.19230106      -0.72996349 
Hf       2.49973758       0.14964730       8.24478139       0.71901904       0.64505306       1.48416285 
Hf       7.45195146      10.41757707       7.60953873      -2.84860346      -0.97872723       1.20390856 
Hf       2.21604191       4.95742762       7.72508997      -0.35496495       0.18306672       1.88759341 
Hf       5.19372323       4.75688633       4.88694404      -2.55896724       0.94844282       2.33840666 
Hf      10.42911773       5.30456771       4.92110132       0.58242295      -0.75456354      -2.33911954 
Hf       2.24193393       8.04834003       5.31098601      -0.83627449       0.13577531      -0.40994510 
Hf       5.54127611       4.87844486      10.33536716       1.53349429       2.30775029      -4.04347104 
Hf       4.89341948       7.72164188       2.47592896       3.03556159      -0.15593535       0.29982812 
Hf       4.82554219       7.52219023       7.70710925      -2.06054673      -1.18465985      -2.73287233 
Hf       7.20780442       7.59515974       9.63491945       0.71186980      -0.32376733       3.26296754 
Hf       7.44204782       4.83184850       2.93114430       2.32664148       4.41242341      -0.58464896 
Hf       2.81136586       5.31548543       3.03740825      -1.13513346      -0.15208944      -1.05794491 
Hf       0.34657126       7.87255057       2.40184794      -1.60927456      -0.01001105      -1.31658987 
Hf      10.22986755       5.46883849      10.26344930      -2.56310637       0.18503101      -1.20954192 
Hf       8.25125829       2.67495401       5.04037906       1.11830391      -0.18186497       0.19366420 
Hf       9.88167309       7.92370862       7.66579393       5.82230783      -1.11226738      -0.53473325 
Hf       5.15429067      10.46013484       0.09221486       0.83546780       0.11372074      -0.47019437 
Hf       2.66572021       7.82120883      10.32543369      -1.97819153      -4.14650595      -1.06921495 
O       2.02583589       9.02861081       1.22910730      -3.44846098       0.30436686       0.40571717 
O       0.95358040       6.32662605       1.05227300      -0.21388759       1.96295844       1.45551561 
O       2.47037225       0.42439499       6.44771947      -0.04709614       1.64254928      -1.93357982 
O       1.31841151       1.99677450       3.48069505       1.44268281      -2.79189927      -0.35519508 
O       3.96427849       4.42304668       0.62550522      -1.16815658       0.51225875       1.79383898 
O       0.77585072       1.17144817       8.73253132       0.08892789      -0.02533662      -0.86096163 
O       3.88394350       3.78883881       3.46751863       3.74716274      -3.92660763       0.60420561 
O       6.68943949       4.11236465       1.23007553       1.29637694      -1.45782502       1.21022182 
O       3.75465788       1.01964975       4.08098604       0.67644001      -0.63955279      -0.61863898 
O       1.62767077       4.19977521       4.67132211      -1.29349030      -0.00689076       0.19011703 
O       1.18547246       1.22697293       0.61375597       0.21360085       0.43805623       3.21716473 
O       3.42734893       5.71000329       4.90985235       2.66839694       2.21514590      -0.75421150 
O       3.73440296       1.67640108       1.62934808       0.16082606      -0.56267226      -2.05401710 
O       9.24027505       1.24592638       3.77317667      -0.93305730      -0.39658337      -1.61587572 
O       0.45135707       8.88393632       6.18273297       1.15753024       0.04591103      -0.55159308 
O       6.52266719       0.88313680       4.25241643      -0.75004525      -1.15657652      -1.89324866 
O       6.16724205       8.75286809       8.09701518       2.66640348       0.65616115       1.08425129 
O       0.29401147       1.80739458       6.02677120      -1.86961213      -1.43327523      -0.45400051 
O       3.90324024       4.28732090       8.39809207       1.31231328      -1.35434206       2.09646683 
O       1.11594947       9.27595851       8.97008779       1.21009038      -2.43322780       0.00176760 
O       1.98870925       3.91586101       1.84812599      -3.29806331      -1.06643062      -0.73257574 
O       3.80147047       8.94764585       6.54157616      -1.82968756      -2.07747915       1.88551234 
O       9.04457239       9.17606439       9.08529721      -4.70351342      -3.70762269      -3.61786788 
O       1.01498591       6.43993858       8.93687938      -1.96701371       1.01559749      -0.22708089 
O       1.13060958       9.31504914       3.70535936       1.37678418       0.64195996      -0.18557646 
O       5.62511110       6.17562307       6.45632645      -3.48537076       0.04693607      -2.08485804 
O       4.23974500       9.45809478       1.64798064       1.35138151       1.27008037       0.38836480 
O       3.75610316       8.72161717       4.12587997       1.44517838      -0.44110120      -1.64655855 
O       0.69956824       3.98485159       9.22765721       0.82471755      -1.53246550      -0.30197161 
O       9.25737274       3.46062485       1.07230688       0.25032200       3.09143884      -1.22808997 
O       5.56838357       1.03803269       6.64500346       1.06839821      -3.40575928      -0.43746324 
O       6.38022922       3.17990808       9.43139644      -2.96852184      -0.35209527      -0.85951617 
O       4.13007901       3.22699865       6.20738370      -0.07250291       0.62043456      -3.88068501 
O       1.85268402       3.05165097       7.22260928      -1.22681792       0.76378582      -0.23133587 
O       8.39546181       4.79662754       8.86338677       1.95574270      -1.19197946       1.43971858 
O       9.41279466       4.09123423       6.06450615      -1.28798337      -3.66860420       2.33623114 
O       6.66875190       3.73626364       7.18015628      -1.79332179      -6.22421550      -3.08666863 
O       6.17497322       0.37186901       9.02790936      -0.70190797       3.82762701      -0.52919485 
O       6.59406740       1.29022206       1.35906872      -2.32070096      -0.45809770       0.72445674 
O       8.58555416       1.13735599       8.63926639       2.85504687       3.02503297       2.50532980 
O       6.87216490       9.29245774       0.04421185      -0.78508720       0.76093621       3.41635287 
O       8.48776741       9.01162940       6.42247510       0.31366635       0.52678250      -0.49854348 
O       1.85868084       6.40297311       6.40681452      -2.24560082       1.38979650      -0.74565219 
O       8.28831356       7.22534473       7.99006621      -4.69193881      -2.95350913       0.61988361 
O       8.85878332       6.96262626       0.12184813       0.43169820      -0.83024970       0.30922804 
O       9.22683645       6.33868490       6.01442234       0.01942787       4.46241816       1.06005631 
O       6.16161207       8.35688863       5.73267350       2.64016376      -2.26734780      -0.90792665 
O       5.97932059       6.08729358       8.65893646       0.61035632       0.66804501       3.20306728 
O       3.40952332       6.62658169       8.63600931      -1.08559431       0.84181184       2.12060761 
O       5.74278248       6.71149848       0.63536763       0.42929714       1.45527298      -0.42672206 
O       8.83626068       6.87030380       3.33183994       2.51527658      -3.47473714      -1.06921984 
O       8.95787374       1.18555901       1.14802377       1.06170875      -0.95432088      -2.20650977 
O       9.09130858       9.15819597       3.80383541      -1.50653087       0.15309182       0.84576930 
O       9.69649891       9.39096614       1.61506172       1.95729605      -0.67754225      -3.47245254 
O       6.49652681       3.26691046       3.69649878       2.65662143       2.31454997       2.57390092 
O       5.51856288       5.80516009       3.04443808       0.32434961      -0.52547121       0.83244730 
O       6.89071792       8.22854967       2.73611754      -0.82027355       2.26639938       1.80526431 
O       8.31864377       0.94740335       6.12706001      -1.00893862       2.28040329       0.19141400 
O       1.38844107       6.70366086       3.58434737      -0.91384895       0.03599806       3.20916108 
O       9.37354065       3.71201345       3.66785519      -1.11578903       1.51568494      -0.97225405 
O       3.28274079       6.93026812       1.69795758       0.07042334      -0.80611115      -0.76071056 
O       3.82992849       9.10727874       9.48026575       0.79513380       2.05677882      -0.59648727 
O       3.68011394       1.62298871       9.25717472       0.05776104      -1.24451172      -0.11647742 
O       7.19917912       5.49000711       4.90465641       0.34900913      -1.32676537      -1.11624675 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03845126595296278 -0.014281424215624157 -0.008957093621073017 -0.014281424215624157 -0.04493075027774117 -0.011019546079248344 -0.008957093621073017 -0.011019546079248344 -0.020458117846978388" pbc="T T T" energy=-924.65487144 free_energy=-924.65500922 config_type=crystal 
Hf       0.05292590       9.96389284      10.23745921      -1.44307842       0.32375041       0.30178413 
Hf       4.73594305       2.80222280       2.54909419       1.30583494      -0.95289538      -3.27060799 
Hf      10.35038616       2.42952602       7.24426615      -1.20794961       0.11781512       2.47798036 
Hf      10.27745150      10.16909368       5.50543502       1.60976347       1.14218027      -5.02362512 
Hf       7.96754641       5.25895434       7.61488319       0.10072777      -1.31460138       1.39290493 
Hf       7.62527540       7.69456708       5.29955514       3.00576813       2.56403597       1.01988140 
Hf       7.67384254       2.15366608      10.23347410       1.89294132       4.34385248       2.93122854 
Hf       7.91882405      10.20389861       2.15700511      -0.81985660      -5.22054738       0.15011203 
Hf       2.49260999       2.52197658       4.73787469      -4.83656746       1.65094566       0.21916500 
Hf       5.36783045       2.92046197       7.66964434       1.85869226       3.52976153       2.17948041 
Hf       4.96997481       0.16347943       5.26757169      -3.52272113       2.13723280       1.94549317 
Hf       2.49672426       2.47237747      10.42808147      -0.77444464      -0.79554496       1.33115322 
Hf       2.29066069      10.31266011       2.77859273      -0.75294901       3.10664423      -1.03917738 
Hf       9.86404728       2.26386753       2.55693651       4.70055721       4.25527440       5.02360076 
Hf       2.82903751       0.19587598       7.78370415       0.72211304      -0.98512116       5.08220069 
Hf       7.90153409      10.23298020       7.82069903       2.97457270       1.65378391       2.21594640 
Hf       2.43561578       4.68017526       7.58611946       0.11057358       1.19430526       1.69054941 
Hf       4.70855216       4.91449945       4.91232070       2.39892338       2.49731489       2.45609748 
Hf      10.40290252       5.34783750       4.88109710       2.26705310      -2.41560924       0.20092103 
Hf       2.32473413       7.91526836       4.90524430       0.92832299      -2.31337568       1.41816856 
Hf       5.31082797       5.02216421      10.39813474      -1.06514616       1.52176575      -0.64764623 
Hf       5.04511229       7.74222764       2.97181406       0.92165379       4.20481271      -3.14294885 
Hf       4.70415594       7.52988341       7.56513870       3.38565845       1.67178583       2.92870478 
Hf       7.21970083       7.81374151      10.12520932       3.91583477      -0.66520500       3.24146429 
Hf       7.51950869       5.34509493       2.81173385      -0.62069794       2.70331172      -3.72030585 
Hf       2.41956879       5.35853657       1.78187222      -0.31275904       0.28168041       1.99059307 
Hf      10.35942466       7.79343803       2.57310198      -0.71096954       3.38376576      -4.63092978 
Hf       9.98448582       4.70827533       0.00052436      -0.13638412       1.47613595       0.38384044 
Hf       7.63079014       2.90545229       5.26163672      -0.40828294      -2.11918846      -3.02880376 
Hf       0.12818918       7.51334504       8.09762400      -0.01345032      -1.97575328      -2.36843106 
Hf       5.03623748       0.21964723      10.37524506       2.11082988      -1.86000692       2.67902928 
Hf       3.14008502       7.93586114      10.46172779       1.26634499      -2.69096777      -1.03003568 
O       0.96595532       9.55089365       1.58671663       1.14478291      -0.48762263      -0.42910217 
O       1.77967526       7.03785270       0.90616213      -1.58040225      -1.07384862       3.56333484 
O       2.69333821       1.09674441       6.27264150      -2.11683740       1.92937631      -5.26406117 
O       1.00677193       1.16832914       4.15256480       1.32494182      -1.11150495       0.07256772 
O       3.71467919       3.72679790       1.06504062      -1.27187563       1.71071411       0.36866328 
O       1.23300680       0.95629293       9.67769659       1.24256818      -1.98842276       0.53120831 
O       3.53114224       4.09488484       3.62569504      -0.73018794      -0.61516044      -1.53364487 
O       5.95645697       3.74879314       1.14511751       2.44995768      -2.65181367       1.47899305 
O       3.98403512       1.48717543       4.07470967       0.54753263      -1.00993269      -1.88043868 
O       0.92880973       3.99310429       3.19040002      -1.15344145       2.04434563       1.17055416 
O       1.55750934       2.01827783       1.97259339       0.53339559      -1.66632745      -2.03504819 
O       4.16358582       6.80756448       4.33416237      -3.49528494      -2.26867373       2.20946160 
O       4.12597657       1.13052763       1.38405133      -1.22627847       1.33711676       2.38125550 
O       9.13837749       1.74513921       4.51963997       0.71894828      -1.82078674      -0.43741035 
O       1.16774983       8.21562392       6.51416780      -0.06013690       1.32621712       0.62179570 
O       6.41818029       1.27553212       4.80579739       1.17494879       0.48057465       0.20032160 
O       6.85993892       9.67380881      10.43579056      -0.47840544      -0.67254917      -2.25412375 
O       0.30603849       0.40836653       7.22919388       0.35930527       1.03717779       0.77415636 
O       4.27329263       4.02919803       8.88716451      -0.52032779      -1.12713729      -1.43145174 
O       1.35239548       8.10710607       9.46870855      -0.09098512       3.87576944      -0.83447544 
O       1.51714089       4.44626396       0.36519774      -3.59214167      -1.40206199      -1.11158218 
O       3.85508369       9.08301150       6.56895951      -0.64092033      -0.47779288      -0.31191609 
O       9.40110956       8.84986957       8.81213075      -1.74825643       3.76885887       0.48055514 
O       0.74169459       5.63579877       8.21167104      -0.61018529      -0.36730937       0.51944777 
O       0.91037352       9.16160544       4.18445395       2.07585261      -0.14292911      -1.23822926 
O       4.02101377       5.99841000       6.79790386      -0.41646289      -0.30819638      -0.25753280 
O       3.95004289       9.09533545       1.41218479       0.31621737       0.33866166       0.29508193 
O       3.55962956       9.19133185       3.90154901      -1.47812223       0.92674679      -0.37842047 
O       1.73037015       3.01950184       8.67091021      -0.21611058       1.04415547      -3.39957417 
O       8.83442397       3.38323808       1.24697656       1.49650557       0.70682042      -3.42894256 
O       4.63991367       1.32728560       7.19006484       1.23820960      -4.79261972      -1.87414288 
O       6.80870258       4.03541924       8.90151461       0.89929955       0.56981778       0.51900478 
O       3.73329291       3.69894609       6.12582970      -0.02710548      -2.27750039       1.04707277 
O       0.91646108       3.29755476       5.86068004       0.01678879       0.38088583       1.06211460 
O       9.56324189       3.49852788       8.65633163      -1.12500186       3.11650179       1.77968120 
O       8.90850666       4.25828818       6.00143117       2.35692865       1.31386537       0.89921867 
O       6.41314751       4.21892239       6.23945213      -1.81993821      -1.06305218       0.75583295 
O       6.25532789       1.49691256       9.32006737      -2.50860503      -1.07995512      -4.52438028 
O       6.76985811       0.95802487       1.16939920      -0.23556820       3.29074310       2.79423846 
O       9.10118239       1.26079969       9.43755350       0.74347031      -4.35496865      -0.83916427 
O       6.85225484       7.96227824       2.08074011      -0.29124850       1.43637851       1.15362726 
O       8.73374268       9.36453763       6.19929877      -3.09305565       0.44480744       1.63926255 
O       1.86038819       5.51172835       5.71428532      -1.76985290       2.02715968      -1.12894230 
O       9.42456652       6.89375814       6.12154872      -1.76186507      -1.28879923       0.63337218 
O       8.45333644       6.59189315       9.15514560       2.81031372      -2.97839506      -2.12055323 
O       9.37688523       6.60496219       3.59167204      -4.17087245      -4.21736695       3.71659274 
O       6.94216369       8.62103835       7.78571952      -2.92620002       1.28682431       0.17011643 
O       5.55223391       7.06303657       9.94650680      -4.15346162       0.22567984      -3.07577569 
O       3.10560005       5.98068497       9.61521013       2.04251034       1.62519007      -1.64111756 
O       7.14283737       5.90195434       0.88297447      -0.44284821      -1.16950937       0.02615876 
O       9.63958622       6.21980917       1.28760792       1.33318393      -1.06791521      -1.22714548 
O       9.47362086       0.71124559       1.60474466       0.34012000       0.73931236      -0.76983022 
O       9.02006296       9.01307457       3.84470865      -1.89731468       0.84180958      -0.84553686 
O       9.02329953       9.09095932       0.96812821       0.39324282      -2.83080120      -0.12506140 
O       6.22206149       3.70962957       3.59450775      -3.01879333       1.50629854       2.16493307 
O       6.39673473       6.44845493       4.49996352       1.38503432      -2.12133616      -2.39409633 
O       5.68533194       9.07759807       4.62875953       5.33166353      -3.98435594      -0.55074283 
O       8.05086144       1.85510381       7.06952415       0.00909153      -0.88577018      -0.73454680 
O       1.45302841       6.95529500       3.32350267       1.98153395      -2.30821913       1.55543082 
O       8.36852715       3.86160235       3.46054008       4.29612872      -1.54756209       1.86143952 
O       4.29491444       6.48395439       1.58590969      -0.72039743      -1.92589278       0.21121538 
O       4.15044759       9.51263760       8.96326320      -0.75284717      -3.51975245       0.52368873 
O       3.88108518       1.35606189       9.43904200      -3.94782766       2.34467733      -2.35680417 
O       6.61687900       6.53080100       7.24481511      -1.40819648       0.39016989      -2.11808015 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.019610324930538398 0.011523907845304144 -0.012437050623076975 0.011523907845304144 -0.02109704425915438 0.007789611855507111 -0.012437050623076975 0.007789611855507111 -0.021501551391255952" pbc="T T T" energy=-927.36839562 free_energy=-927.36877699 config_type=crystal 
Hf       0.15258443      10.12383333      10.15354080       0.69442332       1.14096792      -1.02784454 
Hf       5.15559591       2.28152390       2.67685917      -1.73493465      -0.95356428      -0.29512753 
Hf      10.27249701       2.54604727       7.31634143       0.15653534      -2.07085405       1.73386663 
Hf      10.00466444      10.16614190       5.18226315       0.84417496      -1.34854328       1.96211549 
Hf       8.03472654       5.23139286       7.54209506      -1.12545541      -2.80292414      -2.10789423 
Hf       7.48638254       7.80187808       5.57872019       1.27721593       1.09065441      -2.83288165 
Hf       7.95408771       2.21106042      10.42074393       3.83403098       0.95720058       5.11890900 
Hf       7.93858967       9.95355255       2.38605162       0.22023563       2.86219114       0.40910393 
Hf       2.28109332       2.89161304       4.66375693       3.87609290      -0.70982810       4.17022966 
Hf       5.57209321       3.10579032       7.98463677      -2.41423549      -1.11064964      -1.19566487 
Hf       4.79706775      10.41592707       5.60171014       1.01458410       1.41603543      -2.67318515 
Hf       2.37245425       2.70069500      10.06089253       0.52272273      -2.47970027       4.71606238 
Hf       2.37055662       0.22725909       2.57357662       4.67518351      -3.75761287       4.27110296 
Hf      10.19455177       2.31891901       2.77041329      -3.31554781       1.86433770      -4.31813116 
Hf       2.73762782      10.44545871       7.88931323      -2.02634451       2.65849826       1.11311685 
Hf       8.13128801      10.42784619       7.94529108      -2.17894452       0.72631187       0.28952091 
Hf       2.59716105       4.86088551       7.83256686       1.23207294       0.92342931      -1.14144823 
Hf       4.85690793       5.14970783       5.52218722      -0.03267709      -2.11925466      -1.79882813 
Hf       0.08906841       5.10377116       5.04377147      -1.92458154       4.25509942      -1.46574513 
Hf       2.16443015       7.84877032       4.66067704      -1.73145792       1.35504220       2.04780296 
Hf       5.11348389       4.82296113      10.43527060      -3.48208855       3.41429919       0.70495998 
Hf       4.79647819       7.70137377       3.00787232      -0.10180820       2.37414165      -0.54462977 
Hf       4.77641793       7.87979245       7.76205460       0.54472228      -1.81171414       2.31055841 
Hf       7.38383251       7.61109432      10.31544140      -1.57729246       2.76571186      -0.37498016 
Hf       7.41460471       5.13571954       2.40997097       3.98893168      -1.45005729       6.73629825 
Hf       1.96723846       5.17806736       2.09381878       2.55845631      -0.53123999       0.21463300 
Hf      10.35063368       7.79612585       1.93376850       1.95298529      -1.28178676       2.26227274 
Hf       9.96821213       5.05719866      10.01135810       2.95680573      -3.83538382       3.26669940 
Hf       7.83019051       2.69693230       4.98563267      -3.72971420      -0.22218985       0.96246123 
Hf       0.15299010       7.46824179       7.82261078       0.64067833       0.07877111      -2.18134277 
Hf       5.20749716       0.35762796      10.21982827      -0.98033417      -1.17699800       0.55615561 
Hf       3.00178685       7.82117597       0.14154761       0.19542774      -2.18923822      -1.87419500 
O       1.17426996       9.29186054       1.09674588       0.54719679      -4.39285564       0.95897367 
O       1.43690878       6.69512526       0.96677315      -1.54571312       2.29356198      -0.52910907 
O       2.07732981       1.05702100       6.24925812       1.10237907      -0.31317285       0.79041666 
O       1.46280447       1.73189748       3.40046608      -2.42616582      -3.10291987       0.56408695 
O       3.90270280       3.31941258       1.01696769      -0.94774516       1.19119482       1.47354799 
O       1.24469336       1.07582813       9.33125553       0.37286628      -2.84854195      -2.40359805 
O       3.64169713       4.03415168       3.96425840       0.93691510       2.34733625      -1.15397653 
O       6.15108203       3.25465715       0.31123266       1.82924171       0.47731231       1.24415779 
O       3.65021923       1.58483439       4.03906085       3.29874177      -2.52032468      -0.30737472 
O       1.04428667       3.86257372       3.35467342      -2.06555002       2.99659639       2.11779813 
O       1.71604715       0.92138899       1.13596179      -2.46223744       5.94895859      -6.58070289 
O       3.98216125       6.66183301       4.62097351      -3.08943360       2.23998580      -0.51562947 
O       4.33725440       0.78568152       1.54431335       0.63971129      -0.97014999      -1.10548726 
O       9.22105712       1.52506935       4.33113168       2.99154236      -3.80973408       0.59889506 
O       0.84573898       8.65177936       6.14255124      -0.56502505      -0.33491618      -0.97962114 
O       6.43556611       1.11276670       4.37312050      -0.98275444      -1.18557343       1.29971012 
O       6.99482332       9.59259644       9.79248024      -1.57410450       0.60153960       0.80222827 
O      10.15057897       0.40218059       7.14609351       2.17139418      -0.73721096      -0.96093716 
O       3.84766116       3.84695888       9.08032388       1.76243833      -2.03508100      -1.44245512 
O       1.38979424       8.42083941       8.98244335       0.83217770       2.38606830       1.43809844 
O       1.12915949       4.10110982       0.71762338       1.70243168       0.22450523      -0.99903742 
O       3.47965910       8.90985063       6.75373022      -1.22407293       1.70770013      -2.38616958 
O       9.06341710       8.80566808       8.38720586       2.69027602      -2.06688463       1.32184628 
O       1.12066931       5.66079352       8.66959545      -7.49993498       2.99732650       2.46863336 
O       1.03050059       9.35073669       3.51791066      -0.68038245      -1.02123097       1.72773477 
O       4.15820336       6.00463488       7.17047944       0.54326086       0.36721489      -1.20331722 
O       4.11816858       8.72074513       1.45175729      -1.41186530      -0.27316675      -0.99151727 
O       3.59289166       9.43232124       3.80917349      -0.16414065      -2.79182893       2.28026750 
O       1.11126700       3.27219631       8.77853812      -1.02501986       2.03634036      -2.98098302 
O       9.49657408       3.34865106       1.03106283      -2.79398784      -0.06345185      -1.97240832 
O       5.04423522       0.89699719       7.42138900      -0.89426652       0.09700850      -2.21826660 
O       6.49022584       4.95203616       8.66120909      -2.94614121      -1.11948772       2.00508836 
O       3.75711304       3.65480541       6.42680999       0.69407979      -0.40906637       0.71985040 
O       1.01407483       3.68136507       6.09318050       1.36300439      -1.59158033       0.51192078 
O       8.83392044       3.57908036       8.89553485       1.09016791       1.98603056      -0.61007328 
O       9.21727892       3.97267343       6.15635961      -1.44300149       0.86022517       0.09358447 
O       6.62314679       3.79526443       6.50517733      -0.33588729      -1.02893166      -1.45986157 
O       6.69486632       1.92930822       9.05198183      -1.45784881      -3.48081440      -2.40114351 
O       6.92966893       1.40301567       1.75936487       0.41303484      -1.69115479      -1.34640025 
O       9.14763034       0.81330611       9.48806495      -1.50751285       1.58970751       0.71897222 
O       6.53709286       8.81096775       1.87544717       0.01028596      -2.07989584      -0.31727748 
O       8.17998902       9.59407427       6.15461353       1.77262919      -0.40584645      -2.77916662 
O       1.47096454       6.14862090       6.37958105      -0.44609963       0.79640871      -2.61713973 
O       9.16486189       6.57117771       6.62292983      -0.07027341       1.27636287      -0.46078627 
O       8.68422008       6.42159321       9.15350282       0.38432177      -0.11434589       0.65513073 
O       9.08043263       6.28832751       4.05944263      -2.44739956      -1.26535490       0.17706190 
O       6.22777771       9.04547165       7.48667999       1.74203774      -0.45532031      -1.31735104 
O       5.15279368       7.18804204       9.56809119       4.28546191       0.07154875       2.44087215 
O       3.29767627       6.02895864       9.45183997      -1.17670469       0.79748779       1.29727690 
O       6.75070957       5.83144920       0.85771660      -0.71523601       2.18943318      -3.81896200 
O       9.50769232       5.96747673       1.39013460      -1.49521230       0.99329992      -1.11157244 
O       9.44532036       0.78558585       1.69875082      -0.01996399      -1.68870419      -0.49377284 
O       8.98947308       8.79473289       3.92574289      -1.58181793       1.62214380      -1.73197996 
O       9.04097589       8.78286433       0.70838811      -0.53525031      -0.92934592       1.41397604 
O       6.40025431       3.41208879       3.61893377      -0.88863340       3.85218923       0.16554298 
O       6.06422555       6.35193594       3.27410168       3.64674382      -2.63097899       0.90133216 
O       5.71823035       8.76381438       4.97073340       1.67285391      -1.39802075      -0.82596662 
O       8.49369903       1.72630392       6.86901154      -3.34036285       1.61648242      -0.85728170 
O       0.87566038       6.49387729       3.48484155       3.24203893       1.22093382       0.84055537 
O       8.57466304       3.58283543       3.35656016       2.94811156       1.04264174       0.10877704 
O       3.79146248       6.01770685       1.78437626       0.88896478       1.40584128      -0.48030184 
O       3.99058707       9.28303638       9.24083918      -0.40135528       0.58335096       0.16939697 
O       3.62829097       1.27639025       9.34050022       1.45602010      -0.24413741      -0.09602126 
O       6.59073004       6.13206735       6.10727324       0.40367897       1.07012079       1.13023384 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016038095155307863 -0.006070362807530989 -0.009252035591805336 -0.006070362807530989 -0.02123851766917507 0.005704303009637326 -0.009252035591805336 0.005704303009637326 -0.012716524517644491" pbc="T T T" energy=-932.422044 free_energy=-932.4220962 config_type=crystal 
Hf      10.42530531       0.06185838      10.10505780      -0.00072107      -2.13587202       3.19639282 
Hf       5.15656434       2.43836640       2.05491424       1.40660521      -3.19137957       2.62310465 
Hf      10.39702208       2.46362532       7.78134318       1.55356103       0.15463839       0.45268320 
Hf       0.05417085      10.41344920       4.87610409       0.08746674      -1.85459825      -1.00984913 
Hf       7.44341460       5.25220427       7.95396368       0.63685790       1.51726575      -0.56357009 
Hf       7.84502603       7.50234203       5.17481991      -1.18487258       1.60102297      -0.25891890 
Hf       8.01863999       2.52647966      10.08914562      -3.48283866       1.22565584       3.50130496 
Hf       7.64155745      10.09645511       2.65488528      -0.39405897       1.68885517      -0.74545460 
Hf       2.73322469       2.89425712       5.14026564       3.98014487      -6.21140918       2.07102361 
Hf       5.21755801       2.47990444       7.76499979      -0.40400461      -2.00722924       3.50476458 
Hf       5.17303385      10.07709411       5.12156935      -5.09321200      -4.00886230      -1.52457914 
Hf       2.55067867       2.67523587      10.39939770      -0.99614078      -1.40419503      -0.17401740 
Hf       2.85160871      10.44066760       2.25569897      -0.78787210       1.09023415       2.30450020 
Hf      10.42566273       2.50651842       2.60542244      -0.06405259      -1.63681774      -0.07902612 
Hf       2.16204605       0.14642256       7.54530881       4.51721635      -1.76533149      -1.55158385 
Hf       7.64020585      10.36074351       7.56990752      -0.04139946      -2.01618345       3.98569680 
Hf       2.00735572       5.45400966       7.89081315       4.39376933      -1.42438644       3.58061664 
Hf       4.94705436       5.35463582       5.41024598       2.29664045      -2.27774316      -3.10073988 
Hf      10.38704382       5.41030920       5.44838691      -2.08963046      -5.21048648      -0.93203347 
Hf       2.38657347       7.85153433       4.80870208      -0.00352270      -1.06510013       4.62580295 
Hf       5.03131313       4.99650108      10.41633829      -0.79624691      -2.13695448      -0.09324863 
Hf       5.05449084       7.48313854       2.52602689      -1.20341819       2.15959169       0.17411827 
Hf       5.00544539       7.67252579       7.81202956      -1.20301878       1.96931232       0.60047158 
Hf       7.58617828       7.35833381       0.27517597      -0.96713925       3.61498156       0.13155561 
Hf       7.66945197       4.86639920       2.82279788      -0.58874341       2.03712322      -3.00245618 
Hf       2.59175840       5.00072126       2.83463473       1.26514131       0.42794026      -0.80932217 
Hf      10.30775220       7.75579226       2.50361782       0.98501574       3.75728788      -0.81340739 
Hf      10.12281800       5.07298085       0.01183643       1.31092792       1.51598539      -0.44368192 
Hf       7.36285898       2.56746802       5.13826398       1.43860826      -1.41269067      -1.04999357 
Hf      10.18224299       8.18430852       7.64901232       0.47816408       0.15997985       0.76963274 
Hf       5.02294205      10.16312261       9.90022129      -2.43969952      -1.54902470       2.92598132 
Hf       2.37008763       7.72320114       0.01104372       4.69920605       4.83821549      -1.33520207 
O       1.25700726       8.87625423       1.36734058       1.00445518       0.53530581      -1.18641443 
O       1.14264299       6.52763110       0.37029447      -6.70602503      -5.44624138       1.62669822 
O       2.95963706       0.61469531       5.65627829       2.13095963       1.40066655      -0.08865159 
O       0.99299590       0.97485316       3.59182097      -0.15711734       1.67800535       1.14118674 
O       4.03085587       4.05847084       1.44217716      -3.81941363      -0.03941294      -0.58490623 
O       1.47880362       1.49641761       8.87721702      -1.41163414       0.37435384       4.01636646 
O       4.22195581       3.98346136       3.89525516      -1.27197938       2.57453982       2.76475963 
O       6.31503526       3.36304973       0.72458748      -0.73215370       1.44653391      -1.74602397 
O       3.46028072       2.04757534       3.11595572      -2.46252531      -2.24957114      -0.00433806 
O       1.48057879       3.84238808       4.19300662      -3.26699054       2.42773185      -1.86009433 
O       1.33431051       1.18187387       1.44293920       0.89245765       0.71506210      -4.06103084 
O       3.60775168       6.39276082       4.06182421       1.42753776      -0.34617320      -1.85225287 
O       4.11603253       1.25004525       0.73686622      -1.41937622      -0.43426614      -0.98881451 
O       8.87911401       1.20367203       3.93721981      -0.51050568      -0.08977803       0.90797754 
O       1.04440546       8.94930328       6.16216730      -1.20772588      -0.93692544       1.67067649 
O       5.46438732       0.50337042       3.20666900       0.88853369      -0.70881093       0.85837606 
O       6.13448776       8.36918516       9.38850062       2.19648489       0.71834619       1.48996882 
O       0.74707244       0.93689738       6.51436258      -5.35504795      -0.21901885      -0.65738927 
O       3.79058562       3.38362868       9.15851843       2.46686703      -0.08363546      -0.02877800 
O       1.25356053       9.38359951       8.86832221      -2.49053154       0.83715474       1.15796503 
O       0.91641943       4.20549593       1.73796097      -0.11285519      -0.93938988      -1.46852188 
O       3.92704970       8.57608058       6.42228827      -1.37618121       2.49624749      -1.46545756 
O       9.13804519       8.99449246       9.13994407      -0.23090246       1.55928189      -0.73522433 
O       1.12861975       7.09113508       8.43151535       0.34706894      -2.29026797      -0.07133359 
O       1.22240768       8.89283426       3.76995224      -3.09643338       3.87916233      -1.17194846 
O       3.91591680       6.42282749       6.44958841      -1.41654670      -1.80201090       3.74007498 
O       3.86412596       9.06592396       1.26697360       1.42630878       0.19655898      -0.30203436 
O       3.56282813       9.05586594       4.01448192       3.77596357       2.20882555      -3.60304148 
O       1.25477095       4.10636951       9.22708272      -1.85694651      -0.17760513       1.43124752 
O       8.53690884       4.41581967       0.84888522      -0.93602737      -2.55894473       0.68722173 
O       5.87704677       1.23985546       5.66898803       2.05607998       5.65824376       1.84865539 
O       6.64247169       3.70029508       8.82703064      -2.48085431      -2.60521305      -0.52462935 
O       4.34026228       3.53562407       6.57684893      -2.08172047       2.06693403      -2.78586745 
O       1.78882597       2.89634439       6.93539352       1.99610816       2.72084003      -0.69375652 
O       9.01670341       3.89693404       8.55506319       0.71746242      -0.31976743       2.43766500 
O      10.06422445       3.49437877       6.31101792      -2.06574488       4.61399534      -4.79257921 
O       6.65552482       4.12837260       6.23765707       1.42911162      -0.27112996      -0.98060113 
O       6.46221505       0.71341136       9.20544123       3.12583566       2.97980280      -2.34169861 
O       7.20770029       1.12523173       1.46726788      -0.37027613      -0.06491188      -0.82029957 
O       9.19835206       1.29051784       9.11234198       0.67187405      -2.32256810      -2.07629234 
O       6.59135445       8.86287288       1.58451475      -1.18093873      -3.35201246      -1.11750469 
O       8.62498013       8.95855101       6.51940247       0.43539122       0.19409342      -1.26204434 
O       1.63165661       5.83383026       6.04917159       0.40288071       1.48273677      -0.74021491 
O       9.09802306       6.29641464       7.04073143       2.49692790       0.54942096      -2.75225655 
O       8.44850692       6.29961269       9.39299010       0.74232169      -0.50304569       0.16840682 
O       9.05900716       6.22712033       4.31469472      -1.89137506       0.98677723      -1.82737721 
O       5.98717077       9.56659316       7.00443642       0.55415933      -0.16165229      -0.28005289 
O       5.65489205       6.01709478       8.94534067       4.29647045      -0.07923409      -2.34428103 
O       3.49376796       5.95811659       9.32735499      -2.92987215       0.92201730      -0.86497204 
O       6.01672062       6.12476226       1.36611865       2.13434751       0.87751636      -1.08748180 
O       9.14545860       6.51462999       1.39051379      -0.85834514       0.78329333       1.02616908 
O       9.43222987       1.92154168       0.89554899       2.45498761       0.70520570       1.40814572 
O       9.03899537       8.80216484       3.89799709       0.80038791       0.33518179      -0.35842617 
O       9.30423693       9.24593842       1.19983805      -1.37062170       0.85961758       0.53816750 
O       6.59176389       3.32674164       3.24754171       0.57954205      -0.51185069       2.84283214 
O       6.32673093       6.23780863       3.86902498       0.49414106      -1.16427727       0.76901996 
O       6.52221463       8.61425343       4.09604418      -1.17212038       1.71823032       1.22403570 
O       8.12857967       1.54262400       6.83063743       0.61101939       2.23779135      -1.84435909 
O       1.05502028       6.65878316       3.63902667       0.67940213      -4.08047112       0.05332354 
O       9.04516478       3.91753268       3.62406095       2.38993888      -2.23848354       1.27578037 
O       3.39207543       6.65919605       1.41057687       1.68867865      -1.29854362       2.23363947 
O       3.72861421       8.93389568       9.17520763      -0.79974861      -2.56524746      -1.45149595 
O       3.83046656       0.77907881       8.57379581       2.49290658       2.19345269      -1.18763092 
O       6.58540431       6.90553868       6.67319899      -0.22544654      -1.46320147      -0.39567662 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02336306281345533 0.015593457422643725 -0.009521276837994913 0.015593457422643725 -0.022657856867162197 0.01406768748675527 -0.009521276837994913 0.01406768748675527 -0.021210974451138363" pbc="T T T" energy=-934.26857582 free_energy=-934.27368462 config_type=crystal 
Hf       0.10204440      10.21562504      10.39739593       1.21984348       1.98994528       0.40571847 
Hf       5.20904930       2.26592162       2.52300656      -0.82433295       3.13239667      -2.29732939 
Hf      10.31781953       2.46835342       7.57976448       3.86062262      -4.44772066       3.83458953 
Hf      10.16699845      10.17710200       5.01577899       0.57134425      -0.68294015      -0.64704543 
Hf       7.06502023       5.15993237       7.83133289       6.11204393       0.04003676       3.37312342 
Hf       7.75311260       7.67821982       4.96989747      -1.98321785      -0.47307981      -2.41957498 
Hf       8.19845537       2.25198891       0.05789766      -0.31825980       1.11518952       0.91767809 
Hf       7.88692275      10.14499347       2.22119735       0.37131962      -3.05377876       4.29908437 
Hf       2.50476659       2.59745044       4.84175884      -4.50335677      -0.37701473       6.83798827 
Hf       5.18051833       2.24124892       7.77359275       0.00724546       0.25958637      -0.50843633 
Hf       4.90330763      10.25878284       5.06753623       3.82742892       0.05539369      -1.70042896 
Hf       2.37152684       2.49781368      10.17593554      -2.04151910       1.44715877       1.51545763 
Hf       2.35192113       0.00090868       2.80168483      -0.57699700       0.72089575      -1.22209729 
Hf       0.07386217       2.74931144       2.46834055       1.99090697       0.09050446      -1.72247203 
Hf       2.53461964      10.30921987       7.41783008      -3.22036022       0.15685150       3.32847298 
Hf       7.56810158      10.24860676       7.97659381      -1.32221806       1.98433982      -3.89415510 
Hf       2.15255133       5.15237671       8.05308624      -0.37896045       1.11862143       0.53587749 
Hf       5.16874585       4.82218956       5.35516289      -0.90777185       1.56066713      -0.76575720 
Hf      10.27719539       5.41432968       5.03262130      -1.80144686      -0.23293620      -0.17660547 
Hf       2.57497009       7.93323402       5.06865255      -2.30589306      -4.60429342      -2.86377078 
Hf       4.86185562       5.32149470      10.10547792      -0.05588205      -1.87762522       2.61727549 
Hf       5.06640871       7.83353090       2.27270592       0.44665755      -1.82804078       1.92981228 
Hf       4.93263361       7.73340767       7.71583000      -1.02037353       1.02777143       0.60564704 
Hf       7.64712432       8.09227588      10.03646505       5.89975291      -8.05882314       4.55313870 
Hf       7.37663857       4.98394415       2.38089869      -0.13577227       2.22788457      -0.87863381 
Hf       2.86418971       4.87708331       2.68181052       0.03556095       1.95942881      -2.56087032 
Hf      10.25905402       7.42424377       2.38862432      -1.81535096      -0.82682965       1.81316081 
Hf       9.85550037       5.14535232      10.16083857       0.36109534       2.29130558       1.27750402 
Hf       8.13599770       2.27557879       5.25744344      -2.98209368       0.91829353       2.49093996 
Hf       0.02317112       7.91698210       7.68348683      -2.13722695      -1.59179125      -0.18390709 
Hf       4.98732076       0.28696395      10.38703544      -0.29211700      -1.91025008       0.63642942 
Hf       2.54595925       8.18814303       0.11794643       2.00773578      -3.82580028       0.55414207 
O       1.53191394       9.37661552       1.25559820      -0.04074052      -0.18036757       0.68605434 
O       0.54848529       6.49375588       0.89929044       0.41142532      -0.52221900      -2.14916561 
O       0.85392480       0.98256686       6.13211644      -0.54742003       1.37776847       1.00098534 
O       0.87301327       1.40220056       3.77785077       0.25777515      -2.43708331      -0.82347412 
O       4.18939745       4.06766456       1.26966309       0.53282488      -0.35625935       0.13777606 
O       1.58221585       1.21840896       8.64589673       0.03625629       1.83864731       0.17595304 
O       3.82953464       3.34718883       3.82401854       1.63623268       2.57740919      -1.59048095 
O       6.92116901       3.38460466       1.29056431      -0.83126299      -0.35920299       0.84752484 
O       3.41597573       1.13967739       4.11520015       1.49378277      -3.90914816      -1.85255819 
O       1.32308164       3.77409529       3.80395243      -1.17088597       2.02408790       0.28182526 
O       1.35968581       1.42910184       1.06531933      -2.68975395      -0.95809049       0.65727645 
O       0.97012757       6.44789896       3.71422873       1.10495001      -1.07723792      -0.56428997 
O       3.64549562       1.12078454       1.47632470       3.32457970       0.37939311      -0.39744855 
O       1.81827105       4.04456984       6.60806981      -1.65109893      -2.86708845      -2.38147096 
O       1.24013125       9.02026841       6.52273616      -0.26887660      -0.01973026      -1.18940184 
O       6.03332545       1.40060687       3.91382052       0.62292496       1.15541461       1.51292434 
O       6.44181925       9.09922281       9.24518171      -4.33922970       4.43791260      -2.67271829 
O       8.85143406       1.01775234       7.15193250       1.21277022       2.29323554      -2.62431640 
O       3.27539980       3.99328577       9.20133032       1.10812585       2.66465590      -0.24223091 
O       4.05218798       9.87729885       8.68773798       0.81460457      -1.84717246       0.81836921 
O       1.73392436       3.97337100       1.26763935      -1.61761130      -1.08445278       1.01561930 
O       3.74561027       8.90647025       6.19338578       0.55671452      -0.38657943       0.91853522 
O       1.51548692       9.27287695       9.21125217      -1.55861545      -0.92077924      -0.58314053 
O       1.01575413       6.76439863       8.78085639       0.94970914      -1.79442120       1.44631487 
O       1.26286812       8.95005078       3.83321571      -1.90279151       1.99627905       1.02192213 
O       3.77262228       6.26650255       4.12156005      -0.47241274      -0.29538933       2.54165577 
O       4.18197901       9.09091662       1.02047104      -0.84222456       1.89510419      -2.96703462 
O       3.71719433       9.11859417       3.57513743      -1.51078792      -0.73796885       1.34034571 
O       0.76375692       3.87666122       9.34939146      -1.10246711      -0.40532953      -1.85950911 
O       9.42800058       3.62962426       1.07085124      -0.12959453       1.59313260      -1.02310058 
O       6.47533296       1.09190536       6.37097961      -1.18029836       1.64240604       2.28994499 
O       5.81736871       3.91522509       8.87304487      -0.36762182       0.15758037      -0.89769709 
O       3.71896667       0.82839042       6.41073307       2.01241152       4.20554470       0.29275675 
O       4.19798968       3.47658905       6.56096082       1.42118437       0.14576744      -1.36323091 
O       8.35639044       4.07519070       9.18039625       1.03154935      -0.83362194       0.32122628 
O       8.67225920       6.32555411       6.01505157      -0.07443412      -1.79032495       2.84287866 
O       9.65883963       3.74350039       6.47532250      -1.68549080       1.04590180      -3.03889882 
O       9.60989675       1.25626364       9.34866909      -1.10376963       2.06535461       2.04350548 
O       6.65711641       0.83613226       1.24082359      -1.91345416       1.00059695      -1.05608930 
O       9.31257252       1.19165118       1.70741055      -1.64235508      -0.99024398      -0.91993506 
O       6.76368441       8.53435142       1.31328684       1.49506551       1.83838286      -0.52641222 
O       8.92912853       8.87085032       5.87067756       2.83602530       3.16426736       4.18242515 
O       0.81068705       6.55610000       6.17018808       0.80143037       1.62405472       1.86507307 
O       5.86067439       6.28759058       6.77039932      -1.11849412      -0.55518989      -5.34001471 
O       8.85413622       6.96705650       8.75527930       0.31637799      -1.84586166       0.29211703 
O       7.03697846       4.13190641       6.30697210      -2.00578162      -4.03923423      -4.98528882 
O       6.09700244       9.12358027       6.57201710       1.92987643      -0.48793976       0.85794159 
O       6.27554974       6.54254481       8.88705849       0.68471903       2.40192796       3.81161602 
O       4.14662168       7.00796594       9.46741074      -3.20540623       1.76339102       1.89069365 
O       5.89100481       6.16659744       1.17085003       0.03527227      -0.89564416       0.50507049 
O       8.44589602       6.35185441       1.19662597       0.72688019      -1.19519570      -0.73499156 
O       8.29150230       0.62162603       4.37647492       3.06969440      -1.04355802      -1.16200577 
O       8.86862615       8.68347740       3.42534654      -0.21080952       2.72318663       0.60543474 
O       9.62318171       8.94369675       1.21266218      -2.40269733       2.54370467      -3.03432437 
O       5.72158759       4.49222481       3.49261040       2.94984242      -0.50100675       0.18319315 
O       6.21697440       7.34112822       3.76338156       1.00278022      -4.54800570       1.42543685 
O       6.01664202       9.40437303       3.58875825       1.38768857       3.35328738      -0.55059623 
O       9.20255916       9.36560633       8.99679503      -1.49562330      -0.48547572      -0.45500552 
O       8.89796008       6.49717802       3.78710038       1.06604608      -3.78287458      -2.22255306 
O       8.82296997       3.47249394       3.85301609       0.70585608       0.59656479      -1.39256072 
O       3.14055004       6.74131197       1.69224408       0.46340949       0.74037819      -1.28887771 
O       3.97524948       1.65753272       9.40978793       2.59569709       0.40841440      -0.94450058 
O       6.67165784       1.44043139       9.33301699      -0.39342542      -1.88880943      -2.45791664 
O       3.35592884       6.47756635       7.29123951       0.79552971       1.08804420      -2.19961779 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03103480272678811 0.005650361016677244 0.005985740120968316 0.005650361016677244 -0.025185886547171868 -0.00073638436279946 0.005985740120968316 -0.00073638436279946 -0.0279373873135473" pbc="T T T" energy=-929.89967521 free_energy=-929.90053568 config_type=crystal 
Hf       0.20199483      10.19028742      10.45164623      -4.34993775       3.42544356       0.89179887 
Hf       5.21613712       2.39793725       2.69503373       1.44483412       0.21836740      -1.43346794 
Hf      10.35941441       2.37168488       7.64611475       0.50795757       0.64533658      -2.75292013 
Hf      10.24351391      10.22605806       5.01699129      -3.22513801      -0.82984930      -0.41228563 
Hf       7.15176745       5.13840863       7.86645997       4.19912780       0.50854997      -0.17729495 
Hf       7.86172622       7.84721452       4.88854181      -1.85079003      -0.11482156       0.31058139 
Hf       8.24290124       2.17076377       0.01212467      -1.81183028       2.75108196       0.22541303 
Hf       7.84252503      10.24501382       2.26542218      -2.36487051      -2.46135899       0.27724655 
Hf       2.48890883       2.56209583       4.87794918      -0.92758761       1.40511668       4.19596705 
Hf       5.08295713       2.26112570       7.73833244       0.09193185       2.81855615      -2.58604101 
Hf       4.76179801      10.29361801       5.11909639       4.88844435       0.43008326      -1.18455463 
Hf       2.36138185       2.53228924      10.14868762      -1.38074413      -0.25458981      -2.14583259 
Hf       2.25024535       0.05747315       2.85981379       0.24974559      -1.62841220      -3.14269656 
Hf       0.09134345       2.68426642       2.48453469      -1.50786481       1.39972381      -1.16379037 
Hf       2.50899807      10.17488494       7.35445284      -1.83065614       2.83574477       1.61702583 
Hf       7.50781763      10.14341276       8.07409504      -2.23338481       3.21318124      -8.69086155 
Hf       2.22480359       5.18480445       7.95569239      -3.12637766       0.88966540      -3.48509796 
Hf       5.12923155       4.85861047       5.35678903      -2.90271774       1.97400133      -1.83813662 
Hf      10.31733484       5.44068630       5.18888135      -0.60910864      -2.36501148       1.63921069 
Hf       2.42439528       7.91664205       5.03333489      -0.44437028      -5.83579146      -0.44690441 
Hf       4.88598576       5.39357196      10.15456513      -1.77565916      -0.91672934       0.51734493 
Hf       5.05476631       7.75076890       2.27968426       2.95744485       0.91912780       0.24903099 
Hf       4.93902793       7.71799138       7.62879497      -0.05060420       1.48483924      -0.69360590 
Hf       7.69284047       8.01946514      10.04795013       0.82351370      -3.41151244       0.34063094 
Hf       7.36450154       4.87720503       2.34769844       2.92718937       2.03189385      -1.99996037 
Hf       2.90194234       4.81605165       2.74449563      -0.74831638       4.15317764      -0.90230400 
Hf      10.30177233       7.47211669       2.43343975      -2.22635854      -0.47662645       0.98890499 
Hf       9.97688683       5.29200712      10.20796713      -4.14043226      -2.03541631      -3.15786932 
Hf       8.25961210       2.29515205       5.20340331      -4.00601315       4.31252925      -0.04752971 
Hf       0.00681611       7.92374630       7.58709731      -3.45162012      -2.22659250       1.46030711 
Hf       4.93803542       0.27123974      10.42064576       2.50531118      -0.32472825      -0.20982617 
Hf       2.52823495       8.07805577       0.02652261       1.53176734      -0.84317078      -0.41266659 
O       1.62875057       9.43266872       1.18028279      -0.67418738      -0.30647676       0.83522805 
O       0.42824121       6.30972283       0.99291835       3.00571394       3.78962702       2.84881827 
O       0.62243685       0.88175579       6.26495680       1.50114959       2.05900047       1.37521996 
O       1.05756042       1.21771516       3.89773471      -0.99757315       1.45897907      -1.27513292 
O       4.35454980       4.13593862       1.43110590      -2.81899740      -0.47867850      -0.69450210 
O       1.63340028       1.51245790       8.32369769       2.60508664      -0.87677979       3.09457158 
O       3.95305485       3.68171485       3.96526849      -2.61649602      -3.04004030      -0.68181092 
O       6.83837415       3.44815260       1.20275331      -0.24268851      -2.07835901       0.24715433 
O       3.50589096       1.01493682       3.85685446       0.97358443       2.53226924       3.66869741 
O       1.07482107       3.81706710       3.96573947       2.85563208      -0.71067152       1.79533571 
O       1.10278979       1.41259674       0.99512211       1.38887261      -0.26424985      -0.42800375 
O       1.35586502       6.50244157       3.90617339      -1.76570809       0.21766150      -1.92600024 
O       3.99796919       1.11551722       1.69599329      -2.64239521       0.39007599      -2.68424570 
O       1.39655792       3.84518088       6.51780271       1.52850641       0.70665696      -0.25605227 
O       1.23615231       8.98692728       6.16102314      -1.27805240       2.26845265       2.67738662 
O       5.91689264       1.23519225       4.05753746       0.56174630       3.22521700       1.08716774 
O       6.09781399       9.42502075       9.25109595       1.39119144      -3.89769646      -0.97678942 
O       8.67611160       1.62841314       6.87576695       0.00349247      -2.87802155       1.62136522 
O       3.17896758       3.99926218       9.09514653       0.59696317       1.22342689       2.04721391 
O       3.72978485       9.29169193       8.55949845      -0.84840150       1.18447268       1.55993962 
O       1.27023518       4.09256375       1.74123113       2.97079111      -0.71414212      -2.58936600 
O       3.67344959       8.95194432       6.26825752       1.15126699      -0.31195444      -1.01089099 
O       1.09206885       9.30303384       9.04817391       1.08276565      -1.94796415      -2.25083566 
O       0.87933046       6.49037624       8.97041015       1.27879503       0.21168724      -0.46529953 
O       0.99303829       9.19814650       3.81145920       0.10485661      -1.88939653      -1.68092229 
O       3.94814233       6.15668720       4.17050042      -1.23412117       0.86453590      -1.62076479 
O       4.52051683       9.05301223       0.62683234      -4.06483181      -3.65487472       2.68032753 
O       3.45606075       9.01219991       3.84913083       2.46189203       1.50336303      -3.03958339 
O       0.57903393       3.69310846       8.87503952       1.19782809       3.28851484       4.20326610 
O       9.48656724       3.60433562       0.92994542       0.12875412      -0.14429502      -0.35286320 
O       6.32364088       1.26398864       6.79234338       0.62190070      -1.03221275      -0.91017636 
O       5.58452778       3.88857144       8.97691322       2.03376566       1.93520460      -1.51841904 
O       3.78664981       1.11160443       6.43394877      -1.99685583      -2.37310538      -0.01790477 
O       4.07393695       3.36216020       6.34624966      -0.13828047       1.92812893       0.35741485 
O       8.26263348       4.26437574       9.22600627      -0.41454648      -1.89878057      -0.40629123 
O       8.94864935       6.20713607       6.53372285      -0.14323213       2.10801364      -3.04814664 
O       9.31816022       3.81454391       6.26601891       1.49117841      -0.37293523      -0.98948492 
O       9.59218700       1.34069845       9.25406626       0.98186103      -1.34285611       1.30860845 
O       6.30709518       0.70508435       1.17648639       2.86558220       2.46330887       1.33214374 
O       9.11265209       1.13641822       1.47949586       0.85664543       0.13655496      -0.26874256 
O       6.87696292       8.46217766       1.20851955      -0.93264608       0.37399750       1.58133254 
O       8.87222537       9.29232535       6.30792453       1.81559597      -1.44418261      -2.04932681 
O       1.06986156       6.77274752       6.39612047      -1.03568656      -2.85542529      -0.78035176 
O       5.88126318       6.61352542       6.08358885       1.05896717      -0.13006705       2.92136276 
O       8.75903792       6.62964369       8.73614216       0.71276016       0.03006683       2.27459719 
O       6.72935193       4.11303606       5.92368416       3.13665697      -1.81588480       3.47737657 
O       6.27692375       9.20413453       6.42540145      -0.78974752      -0.96414858       0.20384867 
O       6.24831585       6.68598586       9.04697983      -1.07642871      -1.13723642      -1.26563811 
O       3.65200079       7.07777413       9.40807001       2.95641282      -4.65884599      -2.33064389 
O       5.84921170       6.07962311       1.14741589       0.67719585       1.08442288       2.22127557 
O       8.43761171       6.18965699       1.12272707       0.81836513       0.59467084      -0.94540855 
O       8.54566109       0.70890189       4.10295449       1.80766223       1.44341713       0.38749932 
O       8.87928849       9.05683197       3.48948938       2.08558985      -4.29453828       0.83009253 
O       9.25423989       8.85796025       0.80307163       2.57707927       1.15441723       0.27017486 
O       6.07080837       4.30899430       3.58771697      -0.00821905      -0.76101166       0.77659332 
O       6.40799772       7.25508831       3.71751072       0.39547816      -0.75224806      -0.54656344 
O       6.29621829       9.69588820       3.22509150      -3.07810346      -2.29266222       2.41257475 
O       8.89881580       9.05485051       8.61946873       2.49385256      -1.01907403       3.35494246 
O       9.00387478       6.41211115       3.69843994       1.60473585       0.08902267       1.10968004 
O       9.16194528       3.52833363       3.62751354      -2.18682035       0.05899766       0.13373805 
O       3.23769856       6.86926723       1.43508976      -0.16606661      -0.76221070       1.32294445 
O       4.13616845       1.67379615       9.29543538      -3.00830725      -0.47334473       2.02175242 
O       7.03796437       0.97796497       9.28681657      -0.87074450       5.24533739       2.51045353 
O       3.45298128       6.53270532       6.91191417       0.04321567      -1.53479907       0.58366734 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.029837399859280238 0.0020981262342484436 0.008962797118353759 0.0020981262342484436 -0.01746558893490003 0.0051240414904448976 0.008962797118353759 0.0051240414904448976 -0.0329754100478758" pbc="T T T" energy=-927.02859576 free_energy=-927.02989151 config_type=crystal 
Hf       0.22149493      10.21484165       0.03375234      -2.51450909       1.71778534      -2.27139213 
Hf       5.22730476       2.50326783       2.78513536       1.82251966      -1.97224787      -0.79151325 
Hf      10.40114105       2.31269539       7.67590930      -1.06768205       4.11676865       1.24694158 
Hf      10.26504571      10.24865501       5.01224978      -2.15744399       2.35594264       0.78111048 
Hf       7.26155087       5.13211844       7.89683111       1.90822100      -0.82357908       0.06490678 
Hf       7.91414335       7.95344215       4.83523452      -5.08256008      -3.13288613       0.08572876 
Hf       8.25660359       2.14716364      10.45066942      -1.92647768       5.85308669       0.87495076 
Hf       7.79012830      10.28201675       2.31007151      -2.09044537      -2.37401930       0.17490421 
Hf       2.44950453       2.55293539       4.96479499       0.64335607       1.18141849       3.40050724 
Hf       5.01186505       2.30614093       7.69355113      -2.58616976       5.04891467       0.00158033 
Hf       4.72168149      10.31860125       5.13872397       5.80263248       1.70237578      -2.82775811 
Hf       2.33792730       2.55839707      10.11078983      -1.42005668       1.61449560       0.39988623 
Hf       2.18829706       0.08401459       2.86958043       5.30131358      -2.34355343      -3.73007781 
Hf       0.09211167       2.65416385       2.48015019      -1.79889903       1.83779004      -1.54124625 
Hf       2.46138042      10.10662533       7.33305972      -0.75687802       2.65468436       3.10876855 
Hf       7.44203243      10.11110434       8.05380024       0.55537318       2.74649979      -4.89576908 
Hf       2.24361355       5.22345320       7.85724438      -1.19594186      -0.61451229       1.04919828 
Hf       5.07880121       4.90613738       5.34042952       1.57489300       1.41580216      -1.42711589 
Hf      10.33607206       5.43747307       5.31391748      -0.16963200      -3.82620303      -0.89880138 
Hf       2.30990960       7.83574042       4.99763007       2.32550252      -2.50076434      -1.10622923 
Hf       4.88136273       5.43177433      10.19488658      -1.87643634      -1.62520242       0.95362184 
Hf       5.07759854       7.70020920       2.29342429       1.04568971       0.89981859       1.57801419 
Hf       4.93758402       7.72808969       7.56766608      -0.14181199      -0.01187011      -0.69118504 
Hf       7.74508984       7.91768020      10.05919554      -0.42347437      -3.77015371       2.80398464 
Hf       7.38470675       4.82907862       2.30497248       2.33285609       0.91428221      -1.88484311 
Hf       2.91986602       4.81968510       2.77455550      -4.01388786       5.26832302      -2.27371761 
Hf      10.30487284       7.50035293       2.48294686      -1.56881691       1.22294514       2.93495832 
Hf      10.02257012       5.37571380      10.21367069      -1.25452120      -2.49503798       0.67422476 
Hf       8.29960178       2.35488391       5.16789955      -5.62081529       3.43150078      -3.79933463 
Hf      10.42413571       7.90021326       7.53089392      -4.13364241      -1.60628255       0.72788212 
Hf       4.93954570       0.25244767      10.44544186       1.26592392      -0.79633299       1.72593909 
Hf       2.54234831       7.97980944      10.41892669       0.15709988      -1.20975179      -0.19704664 
O       1.61247866       9.46391891       1.30663966      -0.25394381      -2.36184017      -2.80969812 
O       0.68680471       6.55229428       1.26194658       1.78237144      -1.43808057      -4.67780858 
O       0.63483636       1.04315516       6.52121396       2.47152446      -2.80153942      -3.82939111 
O       1.05010451       1.17901167       3.80493227      -1.28744210       3.62686507       2.33054037 
O       4.16251450       4.11279136       1.46490849       0.20844688      -0.55453724      -1.33032023 
O       1.91704058       1.68781761       8.42901016      -1.98149188      -1.99283530       0.31175533 
O       3.91908680       3.73388792       3.91669370      -0.01641913      -4.16288374       1.10668117 
O       6.73942052       3.24633914       1.18188674       0.07959143       1.58866355       1.71111311 
O       3.70194936       0.98246198       3.91985471      -3.06683426       2.81064106      -0.18527317 
O       1.20300889       3.85119152       4.27554611       0.96110321      -0.05493480      -3.78402981 
O       1.01640157       1.34272722       0.93332789       1.94029026       1.16764619       0.83880850 
O       1.44146221       6.55004813       3.79896507      -1.27915101       0.77351095       0.15380625 
O       4.01917486       1.15997617       1.57397948      -3.03124145       0.03029309      -1.13462687 
O       1.20737790       3.68439137       6.36939974       1.96770948       1.14763723       3.97159086 
O       1.07566433       9.17057508       6.18471401       2.77825947      -2.54366954      -0.74250890 
O       5.97807982       1.38340264       4.41562792       1.24004275       2.53321605      -0.93817257 
O       5.91557725       9.38315647       9.09995125       1.53838738      -1.90483717      -0.51943869 
O       8.56870568       1.75566894       6.83644732       1.71316494      -3.19568745       4.08150364 
O       3.25272593       4.13281990       9.28264066      -0.93094864       1.38317519      -0.07173132 
O       3.48161503       8.96707677       8.69826352      -0.76588277       2.22858250      -0.61455519 
O       1.21729033       4.04287149       1.77131821       3.22929753      -0.12172472      -0.90618502 
O       3.82089208       8.97134091       6.27895974      -2.14660518      -0.71097561       0.13434925 
O       0.97090971       9.05391672       8.63746411       1.96265116       3.08127650       3.90238985 
O       0.93706641       6.32386193       9.09219172       1.61161444       1.73501375      -1.82138903 
O       0.75238560       9.25389597       3.61660284       3.51722112      -2.37174426      -0.07512231 
O       3.95270371       6.15308128       4.09992672      -0.76987897       1.23369004      -1.59514744 
O       4.28469304       8.61428462       0.62711461       1.41529607       5.23700771      -0.86156545 
O       3.53714492       9.09095869       3.72555996      -1.07941028      -1.36584730       0.58022607 
O       0.52815616       3.84703675       8.93872216       1.32998696       0.18080551       0.84576692 
O       9.54366392       3.62793648       0.77235019      -0.27442792      -1.13375209       1.04239497 
O       6.27315801       1.30030886       7.00203223       2.14325444      -4.10644734      -0.82961470 
O       5.64194651       4.04189782       8.82763392       0.87292679       1.50172052      -0.91584629 
O       3.72374784       1.22201206       6.42221878      -2.12216314      -3.61864406       0.49846022 
O       4.02778195       3.46890309       6.22576015      -1.23157844       0.94245012       1.97871260 
O       8.18368003       4.15704402       9.23026403       0.28544317      -2.19016200      -0.68274281 
O       9.10139590       6.33965867       6.61123720      -1.17299914       2.10884818      -1.97493963 
O       9.23930117       3.81647890       5.99027096       2.19875966       2.24051195       0.86874686 
O       9.67811032       1.27742001       9.41675475       2.48052693      -1.34175323      -2.31096330 
O       6.29669387       0.89306986       1.24207001       1.79320569      -0.38819741       0.21012019 
O       9.01880701       1.03873152       1.30094447       2.17598018      -1.10767607       2.17798012 
O       6.84538776       8.51422125       1.41111222       1.57189551       0.42435261      -2.48802698 
O       9.14596370       9.60853343       6.57118284      -0.68082814      -2.06272829      -2.25470735 
O       1.14172008       6.65860450       6.49035353       0.37473432      -0.80914028      -1.39683629 
O       6.05757250       6.68530576       5.75949261       0.24523428      -0.39487974       4.72273524 
O       8.79906632       6.36040791       8.94841983      -0.74278687       1.90398696      -0.01503410 
O       6.69079194       3.84272059       5.87316842       0.47891598       0.60862765       4.19178269 
O       6.34387351       9.15091736       6.37206841       0.73713130      -0.44505983       0.53430007 
O       6.13157387       6.71889285       9.11074065       0.64948284      -0.54702045      -1.55125235 
O       3.50002800       6.69110634       9.24405356       1.86518365      -2.44874105      -1.37121639 
O       5.92338493       6.13560964       1.41178268      -0.64233054      -2.11912553      -2.03056545 
O       8.52967837       6.10233675       0.97803740      -0.11851458       1.93954900       0.65220452 
O       8.96958950       0.85244572       3.89963715      -0.71321673       0.99967559       0.51196943 
O       9.07679541       8.97417139       3.60365291      -3.03423341      -1.28962131       0.21809473 
O       9.23140662       8.98852819       0.47919518       1.17461739      -0.05682955       3.51976654 
O       6.36623633       4.09220874       3.73033768      -1.89919416      -0.26669657      -1.18069104 
O       6.51112559       6.97446991       3.58798731       3.09941576       1.48833364       0.63189325 
O       6.17166224       9.80307988       3.20706944      -1.68523161      -1.88068813       3.49116191 
O       8.93462151       8.76542973       8.70302962      -2.78990897       1.30991925      -0.11199140 
O       9.31678517       6.22847654       3.68123707      -0.87521900       1.09249606       1.49160710 
O       9.18064879       3.58193931       3.45250821      -1.93300329      -0.07905272       0.03014587 
O       3.28500181       6.89090390       1.35838832      -0.05945389      -4.06355540       2.58632832 
O       3.94959965       1.73978680       9.32306039       3.46567505      -2.94739399       1.60154072 
O       7.15000766       1.06347707       9.35011573      -2.47913315      -0.82178229      -1.02438481 
O       3.53503797       6.42809461       6.64282859       0.68199995      -0.53767185       0.84925687 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.029794649503850756 0.00925922511751084 -4.2915449587366744e-05 0.00925922511751084 -0.019723172626387134 0.0016106293940998193 -4.2915449587366744e-05 0.0016106293940998193 -0.04585079738794302" pbc="T T T" energy=-928.84973696 free_energy=-928.84974972 config_type=crystal 
Hf      10.28597936       0.00717510      10.29456018       1.50167115       1.56095018       0.36347757 
Hf       4.76868320       2.41129306       2.48276674       0.12101793      -1.92769394      -0.90683638 
Hf       9.72099002       2.55872634       8.08168094       0.38097906      -0.72651956      -0.23604451 
Hf      10.13103816      10.20917462       5.32494760       1.44570255      -0.39327602      -0.45829267 
Hf       7.33112232       5.46280692       7.85842936      -0.52097346       0.60563117      -2.11443350 
Hf       7.80581033       7.70451751       4.91123389       1.27671982       1.39400868       1.52008665 
Hf       7.35113432       2.77223326       0.23450986      -0.48614970      -3.64591649      -0.05523863 
Hf       8.12566766       0.21427263       2.72260798      -0.89880440       3.59839401       1.22139231 
Hf       2.59651707       2.54119974       5.45363121      -1.58955176       0.80556813      -1.32290082 
Hf       4.83693005       2.54604015       7.72632331       0.46788281       1.94136841       3.80087263 
Hf       4.94410519       0.15850432       5.00970074       1.22864749      -0.70812731      -5.09820919 
Hf       2.24422101       2.34634150      10.13528660       1.01224052      -0.69881284       1.73378084 
Hf       2.14748862       9.59622517       2.42848829      -0.52163345       2.60650768       2.64863398 
Hf       0.68032330       2.50679850       2.39562286      -2.13131090      -2.52987009      -0.28576712 
Hf       2.38260782      10.22974730       7.52913403       0.17829749      -0.96386559       0.60374102 
Hf       7.47712811       0.06449126       7.70213373      -0.27441852      -1.01455525      -0.73791940 
Hf       2.20164199       5.01545610       7.78300699       2.19951145       1.91353891      -2.13421346 
Hf       5.27619542       5.23249034       5.23008396      -1.48481886       0.40701667      -1.21568336 
Hf       0.07651671       4.79442754       5.34008225      -1.15592179       1.78167729      -3.63087382 
Hf       2.69682774       7.46038439       5.06560647       0.26690173       0.30574181       0.20697150 
Hf       5.27413054       5.35010782      10.24359816      -6.33225662      -5.24562680       7.95104356 
Hf       5.36853713       7.92645872       2.26168805      -4.70765605      -0.23571180       1.96143120 
Hf       4.97841968       7.99104302       7.50331769       4.53996476      -1.18166378       3.54221770 
Hf       7.95175961       8.18319858       0.19831115       2.25296464      -0.75163195      -2.61023951 
Hf       7.87230074       5.11879612       2.66622342      -0.40485469       0.57899255      -0.37458238 
Hf       2.87894025       5.05473345       2.27137211       3.76160411      -0.54088322      -4.11192119 
Hf      10.43653868       6.96484635       2.67974711       3.91616083       1.78912934       1.21216531 
Hf      10.02007121       4.72406181      10.08369807      -0.98227738       3.99372169       1.56857986 
Hf       7.86706921       2.72891272       5.08174901      -2.13022697      -2.29351876      -1.48800652 
Hf      10.21309620       7.57588739       7.70871738      -1.13498604       1.11447726       0.24432186 
Hf       5.10748362      10.26554557      10.03590427       0.20766873      -0.59922566       3.29592489 
Hf       2.36344589       7.48357833       0.00053315       0.36399119       1.31772873      -0.86758740 
O       0.93361602       8.59910664       1.04724567      -0.01360856      -0.19730882       1.22628676 
O       1.46517757       6.03461792       1.01495252      -1.73645874       0.05052465      -1.40277168 
O       4.61894757       1.87071624       6.04018196      -2.50791174      -2.80836892      -4.18104053 
O       0.80661538       0.38203587       3.40992417      -0.65773173       1.21541145       0.40686653 
O       2.90572148       2.96766987       1.46694981      -1.39667715       2.43111815       3.40658514 
O       0.62596636       1.60530010       9.21132334      -0.29088828       0.20279931      -3.18578547 
O       3.96508261       3.99712331       3.50056607       2.28335225      -0.92032510       2.86464392 
O       5.11465852       3.52419749       0.88853852       2.66413814       1.73649737      -0.79736351 
O       3.44974147       1.19776041       3.59235150       0.50985317       0.84905201       1.33902392 
O       1.18738453       3.55732668       4.15361488       1.62651967      -2.98708981      -0.86575593 
O       1.30203641       1.08443951       0.93721022      -0.57208842      -3.03805589       2.25595398 
O       4.00588645       6.60811670       1.04625462      -1.42544959      -1.25230086       0.32298872 
O       3.82396610       1.05492367       0.30396179       0.37767038       0.66856246      -0.25983704 
O       8.92235920       1.22644502       4.68218184       1.76045571      -2.41437145      -2.19343689 
O       0.78890887       9.01170413       6.64456922       0.88217974       0.24656979       1.27627465 
O       6.45497966       1.22593908       3.85216655      -2.20727963      -1.87322541       2.48917012 
O       6.87247983       8.62410045       8.63860482       0.11982247       1.83188033       0.30543137 
O       1.58649632       0.77073170       6.11587300       0.02474259       2.82102664      -1.70250798 
O       3.15533700       4.86903595       9.52598535       2.22841504       0.37326992       0.23575318 
O       1.72569448       9.92509254       9.24196555      -0.93387086      -1.65203343       1.24937032 
O       0.64961662       3.38302771       0.59954360      -0.06297881       1.52635619       0.59943060 
O       3.61805419       8.81032177       6.60992714      -4.14898746       4.41480587      -3.38834179 
O       9.44522156       8.84565975       9.36875582       0.20867831       2.26233016      -0.97350270 
O       1.19350893       6.81776118       8.73432889       3.84158901       0.22842155       1.49759216 
O       1.21983906       8.31642965       4.12224098      -0.35522754       0.78193310      -2.85285135 
O       4.11953232       6.51505596       4.02374974       0.06684213      -0.31682464      -0.25582824 
O       3.57776351       9.05476814       1.21056078       0.46060416      -0.88724292      -0.65986340 
O       3.85462380       9.08905845       3.67362144      -1.10578657      -0.02995389       1.54811147 
O       0.59126013       4.35144395       8.51979974      -2.67832596      -2.21831019       1.71677697 
O       8.44690046       4.43780088       0.85743977      -2.59946015      -1.83974763      -1.16896305 
O       7.14006938       2.09516285       6.64202918      -1.82717831      -3.46548280       4.51229589 
O       6.37638582       4.05580928       9.11281945      -2.66557693      -3.01469307       1.64284952 
O       3.49179937       4.07164883       6.37090603      -0.64131837      -0.23931864      -0.43467635 
O       1.09880050       3.70362490       6.50374305       1.20618425      -3.07264019       0.47159513 
O       8.45950919       4.16207251       8.61564145       4.69823677      -2.64488107       1.49242181 
O       8.97230255       3.81206289       6.13642726       2.26075787       2.37874076       1.31260785 
O       5.68717703       3.99550053       6.69979130       3.94028904       4.12164091      -0.79484039 
O       7.03200419       0.85402371       9.57785260      -2.01204630      -0.60788119      -1.36647803 
O       6.44420680       1.38996107       1.58160096       0.70911947       0.79625488      -1.56145400 
O       9.01327113       1.78822898      10.02466975       0.14713498       1.83550404      -2.47536705 
O       6.20652641       8.94625176       0.88821919       1.75815673       0.77447785      -0.42912566 
O       8.60544287       9.20607350       6.39781819      -0.36301663      -1.36059153      -1.85069074 
O       0.95369145       6.34587643       6.18982466       0.31925427      -0.32742153       0.56628197 
O       9.39236945       6.56898274       9.46208177      -2.32322318      -1.34470736       0.69493835 
O       8.86766922       6.84518618       1.66675983      -2.37858125       0.77355231      -1.46263324 
O       8.63057693       6.69173683       6.90182946      -0.24319496      -1.19826135      -0.79488561 
O       5.94457030       9.82906264       6.42434101       0.94382052      -0.96912131       1.26901343 
O       6.04463282       6.34645940       9.07423256       3.20375093       6.21111524      -5.85476782 
O       3.33750246       6.52177097       6.72991491       2.38798784      -0.59703202       1.32488686 
O       6.28824263       6.26569676       1.62342065       1.35371747      -0.80232942      -0.89789857 
O       9.62066124       6.75485398       4.44282173      -1.83658987      -1.39926252       0.22014001 
O       9.16905141       1.74973419       1.84534355       0.38956522       0.23339512       2.72703916 
O       9.06032475       8.99532369       3.46385326      -0.62975220       0.41943134       2.37723013 
O       8.79212618       9.81583577       1.12962963      -0.39714899      -1.96037619      -2.34782390 
O       6.89285721       3.72049244       3.76923468      -2.11413211       1.00663878      -2.25235604 
O       6.92888365       5.99715217       4.30047168       0.70920022       0.81852423      -0.75661708 
O       6.28062679       8.70924131       3.86961914       1.82442256       0.00701192       0.03583006 
O       9.38125215       0.81525146       7.13107692       0.56717800       1.02825110       1.13772171 
O       1.61253937       5.75982690       3.28529256      -3.44535400       2.84886310       5.11476114 
O       9.69933232       4.47537569       2.93782843       0.57861319       0.26050766       1.78737969 
O       4.33224570       8.45210153       9.37505595      -1.67075977      -0.68095200      -1.44062107 
O       4.79363494       0.65385805       8.37964309      -0.80084763      -0.30701888      -2.94404998 
O       2.82982070       2.40807355       8.27788033       1.98872576      -0.05286803      -2.66358158 
O       6.15450981       6.84554883       6.31524992      -0.42933043      -0.95219027       0.55354452 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02376723274802638 -0.00594097103055169 0.003993133863609552 -0.00594097103055169 -0.04450462196508416 -0.012075173572524023 0.003993133863609552 -0.012075173572524023 -0.026137856767058376" pbc="T T T" energy=-923.30410793 free_energy=-923.30423296 config_type=crystal 
Hf      10.32995478       0.11118684      10.31154494      -2.04826801      -1.18184066      -3.54494322 
Hf       4.93173362       2.44552727       2.48625868      -5.53571392       3.28926224       2.24558770 
Hf       9.64353470       2.50496210       8.04954793       1.34510635       0.95178941      -2.91472033 
Hf      10.14858097      10.27345247       5.33786143       2.00110258      -1.10494710       0.75874621 
Hf       7.38086943       5.39561549       7.95072680       1.81357701      -0.04038269      -4.15130866 
Hf       7.78499913       7.88891259       4.97530085       1.26239502      -2.47133964       2.34843522 
Hf       7.28028642       2.75837894       0.12552689      -2.15086052      -8.43989547       0.56800683 
Hf       8.06983760       0.26464781       2.77778642      -1.76745581      -3.22945786       1.04497028 
Hf       2.60831258       2.49193712       5.39919263       0.76730062       2.46475726      -3.30604931 
Hf       4.92239746       2.68556423       7.72704632       3.55473916       0.05896632      -2.66121721 
Hf       4.95020981       0.17341803       4.92794779      -4.35472934      -5.57565342       1.67724386 
Hf       2.16050334       2.38500102      10.04340697       2.79468910      -0.85568933       0.86918872 
Hf       2.16150516       9.68771211       2.45073546      -1.72979406       2.14547735       3.82378000 
Hf       0.59663096       2.29350257       2.41312779      -1.47287724      -0.56580975       3.21783480 
Hf       2.39345164      10.34135603       7.48483249      -1.82874080      -0.19273821       1.29383558 
Hf       7.35667136      10.37493746       7.69624010       3.31025013      -1.45919977      -1.23554488 
Hf       2.20417586       5.13186118       7.78429036       1.83517510      -1.53789579      -2.24222709 
Hf       5.21602576       5.26892580       5.22616667       0.05008978      -0.28947492      -0.22592126 
Hf       0.12889502       4.76993590       5.16918208      -0.59912793      -2.08652805      -0.48327127 
Hf       2.62708277       7.38581753       5.07408880      -0.13222526       1.87588880       0.94529148 
Hf       5.31806053       5.41067792      10.35090989      -0.82243977       0.84708172      -0.21159526 
Hf       5.23500213       7.92328526       2.28574346      -1.41606554      -0.83003976       0.78001697 
Hf       5.10770603       7.98197699       7.64416490       0.60117508      -0.85639790      -2.24844040 
Hf       8.02284907       8.16573542       0.03605438       0.62893244      -1.87497662      -2.97186237 
Hf       7.96529450       5.13237392       2.66557232      -0.10139967       1.00615760       0.22546825 
Hf       2.90380899       5.06559653       2.29007374      -0.99859605      -0.36687897       3.12387277 
Hf       0.06148767       7.00400438       2.62281004      -1.46941914       0.44715103       1.68150441 
Hf      10.00331022       4.66006979      10.11278291      -2.88042607       5.09514800       2.45686751 
Hf       7.86229537       2.66618041       5.07742009       0.40499456      -1.99909514       3.35681559 
Hf      10.20715464       7.57064016       7.67844495      -1.96418658       1.86096407       0.32265369 
Hf       5.15669925      10.14826573       9.96094681      -2.59534048       0.60811482       0.28462072 
Hf       2.38089147       7.54308108       0.01488754       0.54233821       1.97759413      -0.49842556 
O       0.73916522       8.53758328       1.40178223       1.08675549       1.37467207      -0.29821151 
O       1.28324383       6.35612902       1.20628073       1.61617557      -4.57501893      -0.77830544 
O       4.66034108       1.84825378       5.74983252      -0.77379587       2.13078983       2.29097660 
O       0.85491501       0.68371990       3.55123577      -0.29405404      -4.17758160       1.57893633 
O       2.87072093       2.82946349       1.82711949      -1.09507162       1.47425463      -1.60596325 
O       0.69753937       1.67676164       8.99188606       1.40437861      -1.72343226       1.18774776 
O       3.77968738       4.07511827       3.95110992       1.92192784      -1.40547635      -3.29265233 
O       5.19323812       3.59727617       0.82898783      -1.08702541       0.29601858       4.48370221 
O       3.26723114       0.96502969       3.85894561       2.76715204       2.66043671      -1.68781577 
O       1.21331025       3.02753747       4.07854522      -0.06104522       1.98464570       1.25477293 
O       0.98364153       0.59189721       1.32517268       2.52307199       1.58814718      -1.70915492 
O       3.81817170       6.69529094       1.25856463       0.59388711      -2.57631271       0.16359679 
O       3.43605995       0.82681483      10.36832899       0.96136143       1.16300749       0.22817087 
O       9.20481536       1.24088806       4.44913902      -3.50729122       2.44771785       0.26716193 
O       0.94245598       8.95865347       6.79229199      -1.26654548       0.62840411      -0.86353697 
O       6.55370397       0.76129485       4.32058007       4.70549899       2.44396764      -3.10309583 
O       7.08529923       8.47608860       8.70408984      -1.29374645       3.60752883       0.39150259 
O       1.65356572       1.02165895       6.02033491      -1.90499402      -3.88874758       2.58399102 
O       3.50658539       5.02609039       9.70135418      -1.95078800      -1.04762174      -1.10781992 
O       1.42995033       9.80530667       9.19755129       1.39717259      -1.45631458       1.07179142 
O       0.32683043       3.44440664       0.85295312       3.02995055      -0.42738527      -1.15974032 
O       3.31436683       9.07421413       6.38739825       2.04140319      -0.41383936       0.05132712 
O       9.38955048       9.44714891       8.86602164      -0.22447324      -1.30054450       1.25766789 
O       1.76601457       6.74030742       8.76430053      -2.80770234       1.44942512       0.76345176 
O       1.03217895       7.96570226       4.07687837       2.84654475       3.29401984      -0.37729971 
O       3.90793768       6.37214659       3.72526230       0.16772753       2.00879855       1.02538760 
O       3.48901358       9.05640202       1.16289090       1.03894243       0.12629187       0.23263042 
O       3.64922023       9.26504206       3.97264475      -0.63902205      -4.01719641      -2.06247362 
O       0.49436363       4.09741944       8.60923080       4.16047391       1.20548524       1.04373157 
O       8.08353126       4.19978620       0.69745626       2.84967264       5.24446472       3.24562607 
O       6.99785632       1.79891790       7.00901581       0.39409351       2.06031079      -1.35333207 
O       6.15591710       3.71351818       9.43732440      -1.05662882       1.69640222      -6.08286652 
O       3.59196394       4.05029433       6.17501938       0.57887348       2.31642938       3.78094000 
O       1.10991319       3.54168159       6.57672271       0.69866492       1.02725651      -1.71024486 
O       8.76182999       4.12199533       8.70019631      -4.09768157       2.41725157       0.71179681 
O       9.00768249       3.91843413       6.35444092      -1.42448694      -1.60557841      -3.09937294 
O       5.90815870       4.48930997       6.96611297       0.33390830      -3.46020469      -0.44516948 
O       6.88479656       0.57228418       9.46514837      -0.34802379       1.18478791       2.87494995 
O       6.34179524       1.58251540       1.74622131       3.09872932      -3.13816300      -1.84717898 
O       9.01100959       2.13569279       9.90300488       0.77016166      -2.53906901      -0.10948571 
O       6.18428312       8.95174337       0.82232619       0.31693016      -0.46855030       1.78907597 
O       8.61856571       8.93043482       6.52261078       1.00014404       2.23672901      -1.62521535 
O       0.91064125       6.23346149       6.27162764       1.49443152       0.59816715       1.84682155 
O       9.43605359       6.79658020       9.60829678       0.28248707      -0.74054288      -1.34983123 
O       8.76904130       6.50398021       1.50962438       2.06759886       2.88719991       0.54203394 
O       8.53498525       6.66117081       6.86234918       0.95518320      -1.45853889       1.37933499 
O       5.89465866       9.58385601       6.56278958       0.37648131      -0.34249568      -1.09070531 
O       6.20012235       6.61039750       8.76255362      -1.19211890      -4.27661222       4.39159086 
O       3.64373385       6.72216667       7.11661556      -2.21019744      -2.34073872      -2.41126238 
O       6.39703030       6.16272714       1.44555701      -1.77469143       1.52627161       0.61525596 
O       9.42686908       6.93383113       4.48034902       0.41478164      -3.43188290      -1.66987806 
O       8.93691151       1.62215676       2.06428327       2.80673758       3.80865729      -2.07885898 
O       9.04742129       9.15518390       3.72820111      -0.90095872       1.77289636       0.42696577 
O       8.69907517       9.68268352       0.90445865       0.68046643       1.79417300       2.18599493 
O       6.91708154       3.78341900       3.75307131      -2.23073583      -3.65821028       0.30320538 
O       6.99144923       5.99431070       4.29060487      -0.29344640       0.22638273      -0.78545792 
O       6.15667611       8.39254205       4.03548476      -1.35279728       1.51278629      -3.08552549 
O       9.44809432       0.91634627       7.01598923      -0.65058943      -1.81104245      -1.75353187 
O       1.31198611       5.56604154       3.78772563       2.85132749       1.20632853      -2.45136481 
O       9.76758586       4.31838667       3.09159522      -1.93828908       0.14560207       1.08698412 
O       4.34692423       7.93112717       9.46493277      -1.71095449       2.45914920       0.81593780 
O       4.86190125       0.66072325       8.15798666      -1.22885782      -1.44312413       0.70574240 
O       3.12348793       2.39602601       8.23299320      -2.61725930       0.94160649       1.25823505 
O       6.00214183       6.64352030       6.40468831       0.77885730       3.08413932      -1.18516047 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02289718204206616 -0.01742739460026454 -0.009495180763781122 -0.01742739460026454 -0.0365824906624427 -0.014958367722300995 -0.009495180763781122 -0.014958367722300995 -0.0602281181033696" pbc="T T T" energy=-921.18624785 free_energy=-921.18658013 config_type=crystal 
Hf      10.34461217       0.16511320      10.29986006      -2.37422993      -2.59116061      -3.34068718 
Hf       4.98682539       2.48219602       2.50138433      -2.31556163       1.11095399       3.28200322 
Hf       9.60021028       2.48689084       8.00697405       3.51621786       0.80825789      -4.09606123 
Hf      10.17450523      10.30072184       5.35051747       2.76327499      -0.33406071      -0.83983536 
Hf       7.42075789       5.36196655       7.97404759       6.73231312       2.04827356       0.75893542 
Hf       7.78198602       7.97792752       5.03012856      -0.14988455      -4.52800804      -1.27505844 
Hf       7.22927322       2.69915710       0.06840583      -1.09315091      -2.90529678       1.28361239 
Hf       8.02944822       0.28262288       2.81449776       0.91084759       0.11119499      -2.16667648 
Hf       2.61561233       2.47850490       5.34616793       2.67880741       3.26613330       1.71906298 
Hf       4.99212726       2.76356693       7.71342257      -0.32444107      -1.14130581      -2.86776402 
Hf       4.93179809       0.14189990       4.87924008      -2.52888266      -1.66631474       2.24489092 
Hf       2.13123953       2.39897644      10.00643794       6.13038015       3.29624275       2.45654137 
Hf       2.15752487       9.75827617       2.49329019      -1.02767068      -1.07073899       4.29903850 
Hf       0.53559878       2.16384907       2.44786552      -0.98471582       0.28194474       2.77149971 
Hf       2.39742566      10.39369540       7.46994799      -2.71618354       1.96125296       2.88091576 
Hf       7.30972407      10.27727379       7.68095087       4.92702428       1.90912136      -0.14831426 
Hf       2.21922134       5.19364536       7.77068566       3.00195350      -3.92083722      -1.74158839 
Hf       5.17917322       5.29139872       5.21977632       0.43651000      -0.84276169       0.35901076 
Hf       0.14766563       4.74319644       5.06199165      -2.66186516      -3.92080667       4.22616412 
Hf       2.59496388       7.35459989       5.08896933      -1.31019990       2.64024016      -0.22285043 
Hf       5.32494593       5.44466251      10.42412745      -1.17433092      -0.57706774      -2.34869253 
Hf       5.14161118       7.91428852       2.30767559      -1.19950897      -0.93654247      -2.34535779 
Hf       5.18805484       7.97046522       7.71326045      -1.50941475      -4.39365653      -0.58875154 
Hf       8.07200840       8.14529922      10.38724989      -0.07600681      -1.02906488       1.37453990 
Hf       8.01751550       5.14746555       2.66521270      -1.44292528       1.82266837       0.97813511 
Hf       2.91613461       5.07166535       2.30940910      -2.61049481      -2.66219177       3.10695011 
Hf       0.10900568       7.03186582       2.60354303      -3.91199731      -0.06740398       1.86247513 
Hf       9.96971969       4.66652053      10.15368262       1.27891829       4.24250292       3.06104635 
Hf       7.86138627       2.61108936       5.10218657      -0.25113915      -1.13526396       0.75835814 
Hf      10.19146340       7.58079603       7.66523273      -0.95275501       1.78406111       0.00666144 
Hf       5.16493029      10.08358859       9.92614136      -4.53386899       0.20771441       1.79477723 
Hf       2.40165223       7.60250387       0.00780915      -0.21180897       0.98007705       0.79845303 
O       0.68819410       8.61378276       1.61252963       1.65943144      -0.22614640      -2.23979178 
O       1.14464789       6.06132651       1.37650698       3.92255973      -2.45853314      -2.99295969 
O       4.55615518       2.01102214       5.75182884       3.14774720      -2.45398768       0.67924985 
O       0.82960805       0.57795633       3.76579674       0.63180850      -3.38079507      -1.57101915 
O       2.71564063       2.89193121       1.94586764       0.67580441       0.79037548      -1.83218699 
O       1.00380079       1.52548486       8.96932805      -6.46361640      -3.05704561      -2.62505325 
O       3.90650967       3.92120474       4.07625877       1.20322245       0.55715706      -4.11365603 
O       5.22257299       3.67569239       1.10406866       0.00713131       1.53521349      -0.33594930 
O       3.38830216       1.08168543       3.91191484       2.87581631      -0.94065030      -2.91807649 
O       1.26765432       2.79476615       4.15235192      -3.62729427       3.95933948      -3.15259862 
O       1.00065412       0.38952538       1.37992336       0.59652304       4.74679625      -1.28877083 
O       3.78973221       6.51805338       1.41111222       0.56226364       0.19271617      -3.06058263 
O       3.29090276       0.79384704      10.14550192       1.87801096       0.05587723       1.20872935 
O       9.16755820       1.36101669       4.28273858      -1.47642191       1.84784071       2.33241878 
O       0.95307750       8.99225228       6.82895038      -1.46747031      -0.26589088      -0.71857695 
O       6.85203997       0.63832684       4.41173879      -2.58063181       0.85591845       0.14766616 
O       7.11223284       8.68355778       8.78376923      -3.37640392      -0.69629124      -0.10779299 
O       1.53104723       1.06945076       6.00193052      -0.46422179      -4.26529338       3.47317944 
O       3.59465648       5.03700967       9.69496624      -2.12450903      -1.08472530      -0.44176951 
O       1.29483514       9.61249122       9.35090885       1.76560466      -2.22995867       0.62756554 
O       0.39343471       3.48655905       0.88133986       1.55021626      -1.73264284      -0.20670838 
O       3.21802284       9.34210783       6.21326884       3.41577547      -2.25440533      -0.29251444 
O       9.33917917       9.73022655       8.66615856      -0.56374104      -1.19381019       2.25280708 
O       1.94616728       6.77926785       8.81979798      -3.82477531       1.81208829       0.96932266 
O       1.05393357       8.04801045       3.91423038       3.61924339       2.76044224       3.09559006 
O       3.80717884       6.45560554       3.63951115       0.68005694       0.00735063       3.29002311 
O       3.53388658       9.05692460       1.13709255       0.40171729       0.38223972       1.38450395 
O       3.46793727       9.05726287       4.00982091       1.40037373      -0.87271438      -1.90515277 
O       0.76338432       3.98904539       8.67596005      -1.13284324       0.93170800       3.06149185 
O       7.97460983       4.30316766       0.78094514       0.55371984      -0.23875777       0.04525853 
O       6.91245056       1.70717653       7.20034977       1.05758028       2.95803104      -1.55227893 
O       5.97080194       3.57401912       9.23674082       1.19142490       0.85874622       1.50709426 
O       3.58631994       4.17354901       6.29942189       1.18061723       1.52592088       2.15887667 
O       1.22855532       3.44498804       6.52523675      -1.57537828       2.69749539      -0.82678935 
O       8.73593891       4.20159236       8.86174630      -2.19596949      -0.84697395      -2.64221526 
O       8.97124703       3.91704956       6.23672098      -1.09084258      -2.35200177      -0.25688136 
O       6.17334269       4.63315387       7.05962187      -6.90879202      -7.79212043      -6.93504674 
O       6.75398769       0.50040943       9.59612941       1.98168722       2.99793644       0.61517282 
O       6.51106928       1.48937386       1.66669253      -1.08832210      -0.61680075      -0.05124390 
O       8.98871899       2.20942413       9.80112888       1.12658753      -3.38948861       0.95203353 
O       6.26374732       8.93047072       0.90640882      -0.97327287      -0.45396089       0.73471428 
O       8.69756239       8.94033490       6.42897011       0.78823054       0.44308512       0.68226632 
O       1.02821875       6.22118778       6.47329645      -1.07081273       0.81769958      -0.38869292 
O       9.42875729       6.83215377       9.62933374       1.43036745      -0.47273054      -2.60682941 
O       8.85453833       6.56188760       1.45119211       0.50977051       0.99195201       1.40812385 
O       8.53002522       6.49147415       6.93225125       2.75705877       2.11626394      -0.63081857 
O       5.94490972       9.39123607       6.63361195       0.15520490       0.64847535      -4.14320604 
O       6.25925638       6.54996827       8.77959887      -2.04475817      -0.23011368       4.90989674 
O       3.69297083       6.56720652       7.20445084      -0.51361477       1.27752953      -2.93283274 
O       6.34357701       6.21244798       1.37585054      -0.22865860       2.28731935       2.44413143 
O       9.33649051       6.73854345       4.35140460       0.04716720      -0.31845924      -0.45370565 
O       8.97446329       1.78683142       2.12407091       1.11091340       0.42800080      -2.89560117 
O       8.95751883       9.39391374       3.93845063      -1.00460241      -1.71941811      -0.40305242 
O       8.65688111       9.65573389       0.88416563       1.81662286       2.00953280       1.52797877 
O       6.69158622       3.59347045       3.68049072      -0.19676358      -1.54504388       0.53453311 
O       7.02931113       6.03908354       4.20927601      -1.85700991      -0.83852327       0.03888831 
O       6.03673053       8.32663911       3.89806481       1.53667272       2.48472448       1.27313045 
O       9.42795087       0.81047689       6.82612566      -1.59544351       3.25767283       1.69254323 
O       1.24241016       5.62665549       3.97430815       6.23986998       2.64068234      -4.55950317 
O       9.65415768       4.26848822       3.28347353      -0.54014775      -0.88870837       0.38822872 
O       4.21281097       7.84072348       9.54338342       0.45594624       2.11064159      -0.51951251 
O       4.80877482       0.55087284       8.01387023      -1.09638173      -1.65518726       1.30776950 
O       3.14664911       2.46531331       8.23180770      -0.38255205       0.91498139       0.62020275 
O       5.96529348       6.69120964       6.38807971       0.58943680       3.77574063      -1.75552717 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.030790814507933185 0.003680066874934142 -0.013789548657231289 0.003680066874934142 -0.05267948549134141 0.006252005889961367 -0.013789548657231289 0.006252005889961367 -0.029312447853938876" pbc="T T T" energy=-923.6547703 free_energy=-923.65478595 config_type=crystal 
Hf      10.25463728      10.25014854       9.95172944      -0.08574113       0.98734811       1.76264120 
Hf       5.20742830       1.83285445       3.04732634       1.18008214       0.77096936      -4.17672987 
Hf      10.24422519       2.64240581       7.58195810       5.47939821      -2.24412243       5.80385849 
Hf       9.39909807       0.01083356       5.21464872      -0.29975326      -9.56577190      -6.03613530 
Hf       7.34463220       5.26261144       7.27023960      -1.82029621       1.44359993       0.63444569 
Hf       7.87420098       7.64270905       4.67401381       0.88426127       1.93582734       2.69422279 
Hf       7.68694392       2.49424565       0.46276460      -0.96948803       0.88805028      -5.06374577 
Hf       8.06067465      10.23738469       2.43017157      -2.85917812      -3.88214813      -4.49836421 
Hf       2.45316875       2.16310848       5.10565947      -1.41414488       3.35328111      -0.62872677 
Hf       4.99609018       2.58995507       7.76052811       0.62002993      -1.96301128       3.76713517 
Hf       4.99878680      10.00862632       5.20625137       1.00183151      -2.29865611       1.17356176 
Hf       2.77965380       3.16676661       0.19494721      -1.17757725      -1.70811286       0.72657504 
Hf       2.61691977      10.43721564       2.63271232      -1.56528288      -2.77286475      -3.74791142 
Hf       0.00072520       2.40181675       2.19525395       2.22044714       0.95495067      -1.60964467 
Hf       2.58624229       0.08719956       7.98356901       0.03166145      -2.60007695       1.16249223 
Hf       7.26927734      10.21998715       7.63715171       0.30400122       2.86650588       0.38835989 
Hf       2.44601363       5.13364724       7.60862085      -0.63146594      -1.39719191       4.23132738 
Hf       5.27007018       4.54413318       5.09140754      -1.91955455       2.48631898      -0.58001407 
Hf      10.40459637       5.37387332       4.91713945       0.47569824       1.25192299      -1.40266299 
Hf       2.28174579       8.12691356       5.39130875      -4.43911949      -2.12420347      -4.91313045 
Hf       5.75110563       4.98046749      10.15768081      -3.70319387      -3.12829909       4.03384314 
Hf       5.18894478       7.54430186       2.36909920       0.89095578       2.48701469      -0.19177336 
Hf       4.56803076       7.58006947       7.61110133       3.38805093       0.34168361       3.75328034 
Hf       7.10113961       7.83047268       9.61427204       2.11214191      -0.13010442       3.09227182 
Hf       7.46721442       5.04440593       2.98281436       0.73575307      -2.03322145      -3.79369355 
Hf       2.81167597       4.97125232       3.12669676      -4.30205803       3.03420744      -3.52117507 
Hf       0.34655074       8.00883054       2.42721278       0.03552191       0.23394834       1.61349622 
Hf      10.04299209       5.67717343      10.14207246       1.07259234      -2.15814096       0.09839381 
Hf       8.05819709       2.83652420       5.25212682      -0.27130008      -0.92557449      -1.40338008 
Hf      10.05520865       7.95617561       7.63983901      -3.26654986       1.52556686      -3.33940966 
Hf       5.07367361      10.36104180       0.15217530       3.84144080       4.24852441       1.90922422 
Hf       2.68183648       7.83824425       0.08690034      -1.28358692      -0.54711798       0.18723714 
O       1.60711976       9.09950822       1.20032797       2.72302141       2.45507231       0.98468957 
O       0.95037356       6.73475406       1.15800015       0.12161648      -3.15211604      -4.00780207 
O       2.34100405       0.55581320       6.10845979       0.84022027      -0.34200828       0.35486835 
O       1.51494718       1.33341021       3.38367118      -1.93174305       2.91338381       2.22525936 
O       4.05131834       4.51532099       0.86291726      -0.97263048      -1.12717912      -0.36007836 
O       0.93351324       0.80639632       8.56256987      -1.84832818       0.85553696      -0.03982786 
O       3.84969003       3.52777327       3.58342760       3.35603222      -4.73613069      -0.32911557 
O       6.48129483       3.77115460       1.47260627       1.38147894       1.86668624       0.69890263 
O       3.79344782       0.78999704       4.07965631       0.18980832       1.69558160       0.15956672 
O       1.38215193       3.93026418       4.39315720      -0.77539887      -0.11207314      -0.01760647 
O       1.46465803       1.52986926       1.05699420      -1.04825591      -0.78066544      -1.62351210 
O       3.43209609       5.58545645       4.78165229       1.57186483       1.23522478       1.85425945 
O       4.03222412       1.53625511       0.93510505       0.28526851       0.50763581       2.74400978 
O       8.98937418       1.15882468       3.28401359       1.25540571       1.60719362       3.32509540 
O       0.51730470       9.02361686       6.22906569       2.06922765       0.33742923       0.17731803 
O       6.17168192       0.24974112       3.83757918       0.27714206       3.32037822       1.48052007 
O       6.10793585       8.85828251       8.13935211      -1.23372694      -1.14291201       1.90098270 
O      10.38929342       1.29790027       5.64205441       6.35926111      10.49400728       4.64687225 
O       4.35263155       4.19436733       8.65660239      -3.16370789       1.42625193      -0.04755475 
O       1.50891635       8.80110827       9.16128423      -1.65143463       1.64792524      -0.68565114 
O       1.40214007       3.88896173       1.66664774       1.28554960       0.26092926       0.03998190 
O       3.16399893       8.74802601       6.99428463       0.93459602       0.43269810      -0.29112860 
O       8.69941752       9.33153194       8.85898228       1.09787100       0.66270827      -0.03748513 
O       0.42472394       6.60260353       8.50365803       1.02333281      -2.78038134       2.36179439 
O       1.51705716       9.17917023       3.70691118       0.70599953       0.58389195       0.80358327 
O       5.25401942       6.29168611       6.46840539       0.07364928      -4.25556094      -1.70457345 
O       4.45573022       9.46928869       1.96271958      -1.40563937       0.64902483      -1.55633463 
O       3.97133386       8.45812452       4.09236448      -0.20087245       0.53744500       2.56973384 
O       0.84468399       4.21606763       9.07054134       1.56417247      -0.60320434       0.13888660 
O       9.30850075       3.91935379       0.54135676      -0.95063620      -0.91495742       1.25498509 
O       5.12294356       0.77766420       7.00945811       0.42211461      -3.67892131      -2.75289815 
O       6.37967692       3.31115757       9.41404066       1.63566328       0.91052252      -0.67805819 
O       4.19590764       3.25246449       5.94721291      -3.17939304      -2.40005147       1.11893469 
O       1.93084110       3.40431502       7.05664193      -0.98372915      -3.06305718      -1.98138832 
O       8.52921461       4.76389795       8.50392639       2.65474096      -0.59509818       3.08548159 
O       9.49261063       3.78695992       6.36973832      -2.39891694       2.37721163      -4.29278833 
O       6.36492785       3.11416987       6.45266474       4.77854103       2.50973592      -0.61395898 
O       6.45285879       1.12052016       9.36064347       0.07874407      -3.56621462      -0.20013773 
O       6.65130966       1.18448225       1.63792890      -0.19713021      -0.24210691       0.80907578 
O       9.10326339       1.83005233       8.85003085      -0.97583360      -0.68048636      -0.45077206 
O       6.64271859       9.07265676       0.93065848       0.01918232       0.77719607      -3.13742191 
O       8.54815111       9.12779543       6.22274201      -2.25285471      -2.07756907       2.33887279 
O       1.52968139       6.21582908       6.41127228      -0.20385715       1.70915719      -2.16670229 
O       7.83707172       7.05141239       7.43547075       1.53407588       1.55137631       0.92726728 
O       8.82150637       7.17441850      10.22544213      -0.32476480      -1.42402732      -0.90690176 
O       9.60808401       6.99842809       5.73878523      -0.20311271      -1.78148787      -0.07219472 
O       6.13901701       8.49004433       5.89560418      -0.65106068       1.59389715      -1.77292785 
O       5.95961682       6.34648546       8.88250035       0.34251478       1.15190181      -2.44774531 
O       3.38244977       6.51462151       9.13386289      -0.52102361       0.78885184      -1.83925652 
O       6.40730361       6.66760041       0.81251392      -0.98683391      -1.29073575       1.60014848 
O       9.06024239       6.13666473       2.97861364      -0.30803481       3.20746221       1.17032347 
O       9.09668329       1.09370105       0.76317395       1.63108636      -1.25138275       1.64403510 
O       9.43600607       8.76891173       3.77832719      -2.63191295       1.63236843       0.00914049 
O       9.79278428       8.89722002       0.99400934      -2.57077134       3.25209772       0.12599910 
O       6.47452749       3.09221085       3.89888976       0.87049838       1.48588013       1.51338606 
O       5.73848171       5.90715520       3.56968873       0.48541670       1.19682969      -0.37860245 
O       6.84892648       8.83947475       3.31449064       1.49088066      -4.71745823       0.52288662 
O       7.89265949       0.84731100       6.06362385      -2.14816648       4.90592906      -0.53137464 
O       1.13019010       6.73885754       4.01722260       0.46203835      -1.12871874      -0.83704969 
O       9.02310485       3.86592468       3.27568270       1.21432184      -3.62263503       2.79109228 
O       3.45408128       6.75315699       1.79001409       0.82982630       0.79897939       0.24602115 
O       4.19444258       9.20327839       9.49111993      -3.32315872      -3.16320649      -0.89161132 
O       3.53877440       1.37410510       9.00072760       0.88966781       2.73513252       0.35721121 
O       7.75094641       5.21063273       5.21955580      -1.57194899      -0.65302072      -1.52554401 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03630419821065461 -0.009583650741535025 -0.023383531861358192 -0.009583650741535025 -0.04156639435092174 0.018685287328092312 -0.023383531861358192 0.018685287328092312 -0.04965547395784344" pbc="T T T" energy=-918.21395297 free_energy=-918.21484551 config_type=crystal 
Hf      10.30289787      10.29261692      10.06901221       2.77717591       2.17687708       0.72009015 
Hf       5.21243867       1.71383502       3.02653816       2.54242464       5.42330658      -4.30541537 
Hf      10.35390217       2.64827033       7.49971260       1.07941528       1.17843775       3.81901847 
Hf       9.39771098       0.06423976       5.15438947       0.73223178      -0.02748703       0.53795066 
Hf       7.44780915       5.18089564       7.29737678       4.72335575       5.96952641       3.09479028 
Hf       7.94985622       7.50105447       4.67662795      -5.82764539      -0.03516085       4.75919768 
Hf       7.70845384       2.47753176       0.48545512       0.76950453       0.89133562      -3.54913391 
Hf       7.91003547      10.15003923       2.39210684       1.68860613      -0.54033204       0.20100473 
Hf       2.45258211       2.17120890       5.09700476      -4.19654151       3.11169860      -0.94720770 
Hf       5.01688987       2.56221839       7.83321126      -1.80197324      -1.92135813       1.40380465 
Hf       4.89391997      10.10545531       5.07740554       1.01893705      -3.40114691       4.66317800 
Hf       2.72728595       3.16916473       0.12804454      -2.00561612      -3.25850188      -1.78601056 
Hf       2.61792505      10.39210998       2.67470429      -2.16276183       2.49848331      -0.35082108 
Hf       0.10016028       2.53648776       2.14696531       0.31783353      -2.30523593       1.03583185 
Hf       2.63240744       0.00773651       7.85250549      -2.87111539      -0.53492406       7.44388753 
Hf       7.14471689      10.21882425       7.67392407       0.06589288       1.96697907      -3.23948457 
Hf       2.52405611       5.18540322       7.64621355      -4.36281853      -1.50859759      -1.16592935 
Hf       5.24162838       4.43603461       5.20293725      -3.55525542       2.63180441      -3.70495859 
Hf      10.40132589       5.38985866       4.86500835       1.22862381      -1.55818230      -0.51092848 
Hf       2.20082992       8.12135077       5.31075355      -0.15359183      -4.90123731       0.61727257 
Hf       5.76613896       4.97608142      10.15037614      -2.13089061      -0.53979177       4.48859951 
Hf       5.37505087       7.52985065       2.30696786      -0.68086017      -0.49039304      -0.55419100 
Hf       4.51521047       7.57510232       7.64474127       4.22404946       0.85161297      -2.93531780 
Hf       7.08472547       7.98023918       9.71478671       4.95755232      -5.69128309       1.82016821 
Hf       7.55992319       5.12002893       2.92315618       0.47532827      -3.15160076      -1.39729397 
Hf       2.71937738       4.82591636       3.10022084       1.08991760       2.11967575       0.10965655 
Hf       0.33367836       8.09214987       2.46768714      -1.32043908      -1.21523522       0.20711400 
Hf       9.96899385       5.67469640      10.06012934      -1.61408964      -4.50300037       3.00221408 
Hf       8.00528082       2.91392645       5.28075125      -0.51519773      -1.56533620      -0.93574662 
Hf      10.11331972       7.97840132       7.58611852      -1.28851539      -0.68774769       0.43744783 
Hf       5.11735586      10.40237491       0.19785273      -1.96602339       2.07672437      -1.21591769 
Hf       2.63845492       7.80084967       0.19907654      -2.52796321      -0.35173570      -0.68543601 
O       1.71977971       9.42395351       1.33552176      -3.08774276      -4.05565684      -2.29065496 
O       1.04568024       6.57343213       0.47102045       1.50436902       2.54801539       3.01422834 
O       2.76132141       0.61729428       6.18033098      -0.01326586      -0.21888493      -3.62783601 
O       1.31427307       1.27621860       3.63108733      -0.60378184      -0.11135614      -2.43818797 
O       4.04078181       4.14328955       1.05862913       0.81890776       3.22133991      -0.45918323 
O       0.69841110       0.82289828       8.55947239       2.19154070       0.26879378      -1.49983747 
O       4.00956919       3.20919219       3.58330170      -2.41552795       3.33582603       0.56166532 
O       6.54379897       4.02247140       1.58695495       0.35350157      -2.62841059      -2.07608363 
O       3.78276496       0.94482072       4.06397857      -1.13142352      -1.61830065      -1.35367414 
O       1.35169309       3.80901535       4.06137291      -0.67469179       1.00240507       0.53152276 
O       1.47766794       1.41355461       0.81347210      -0.69304876       1.55510454       1.22621474 
O       3.56534358       5.83363967       4.88475535      -0.62770492      -3.62971152      -2.14562504 
O       4.32176558       1.65284617       0.97402686       0.18131682      -1.87321100       1.78085727 
O       8.78836620       1.28866867       3.51920407       1.02544866      -4.25814328       1.98614471 
O       0.64707062       9.33775755       6.44186436      -1.33404096      -0.26631135      -1.34656956 
O       6.31706926       0.43860819       3.97891893      -0.12683650      -2.58738721       0.06185389 
O       6.12650990       8.72360031       8.28087178      -1.48902826       2.03463577       0.50614036 
O       0.14105298       2.02430301       5.76063677      -3.73166699      -5.19677133      -2.51602987 
O       3.82417480       4.08936518       8.49793574       6.12737015      -2.59047445       1.55490961 
O       1.30181641       8.79271700       9.12391425      -1.78140912       0.72574400       0.91203119 
O       1.35085506       3.93029003       1.61652793       1.22703987       0.69859628      -0.90477550 
O       2.95421274       8.69582029       7.06385210       1.90587593      -1.77663540      -0.64801069 
O       9.03705410       9.43647569       8.93368007      -3.46392420      -0.91203276      -2.30287402 
O       0.21422888       6.35396963       8.57235744       2.90995337       2.37335486      -6.00935956 
O       1.60897845       9.17760093       3.87161390      -2.13827953       1.25401866      -2.74179862 
O       5.14539021       5.76444815       6.63780596      -0.25684637       1.85359020       2.01948191 
O       4.20484410       9.45801628       1.83312364       2.32255215       0.31516428       0.36485999 
O       4.02654987       8.18494822       4.49968491      -0.68303605       3.02214350      -0.81711352 
O       1.74260524       4.33775856       9.26402192      -2.65332718      -0.51866233       0.67031079 
O       9.02293436       3.89454733       0.63270126       1.99836657      -0.40243577       2.54525910 
O       5.03587608       0.26971418       7.25069983       0.93910353       2.89290287      -0.47348241 
O       6.71773194       3.57532875       9.32772319      -1.72471275      -0.96536657      -0.92169199 
O       4.02218044       2.86995470       6.08541876       4.16165963       1.21350362       1.57758978 
O       1.69464346       3.21548353       6.65878525       1.05390913       3.36537473       2.88163439 
O       8.78686671       4.72335231       8.73916292      -1.01831807      -0.20966526      -2.25533652 
O       9.25305083       4.14342750       6.18724024       1.30569075       0.09461411       3.02371517 
O       6.44640910       3.72698996       6.62160795      -0.94765830      -5.80721159       0.42922441 
O       6.48209350       0.99929184       9.47606189       0.04061404      -1.09141919      -0.39214657 
O       6.77527667       1.28184512       1.79489228      -0.13794507      -1.86953884      -1.53482258 
O       9.14555918       1.97995553       8.94136530      -1.91916992      -0.74411203       0.59650612 
O       6.62478821       8.94629174       0.82392930      -2.02537030       2.60962873       1.39017928 
O       8.14060335       9.07189817       6.22651957       3.08647847       4.01834998      -1.24935917 
O       1.36486721       6.31955582       6.24694939      -0.24171330       0.24277079       0.21603824 
O       8.01096418       7.17219234       7.17108083       0.74287155      -2.78883098       1.83438861 
O       8.77171154       7.10813574      10.03858739      -1.14600385       1.14957208       0.07856483 
O       9.58328194       7.00020117       5.22967797       6.03257371       0.33004482       5.29846258 
O       5.76506994       8.75439972       6.01110173       1.17598297      -1.85383821       0.88805813 
O       5.92169684       6.48284560       8.77451293       0.85647222      -1.58583989       2.83031027 
O       3.18896940       6.68494259       8.72636841      -0.43542151       0.09081261       2.30247946 
O       6.73940607       6.25192868       1.00593087      -2.09242874       2.36451734      -0.60506235 
O       9.06784221       6.36695002       3.13144266       0.62156833      -0.76069172      -1.99353943 
O       9.30178240       1.01192748       1.21614491      -0.60372175       0.56791857      -1.61099686 
O       9.29330310       8.70636802       3.80057404       1.06417446       5.35529322      -0.67785410 
O       9.27262136       8.92181266       1.29394342       1.37735425       1.01706901       0.60932273 
O       6.42389389       3.08179970       4.01537888      -0.55616289       1.09292938       1.02056566 
O       6.14531254       6.22663899       3.66339502      -2.77946551      -2.37979752      -0.18012836 
O       6.78278146       8.22083629       3.33407458       1.34138777       6.87019129      -2.10359277 
O       7.64535124       1.05431308       5.83696531       1.18737402      -1.00494883       3.18584411 
O       1.22560950       6.58713354       3.71849255       0.11237506       0.04812876      -1.65377547 
O       8.84834140       3.45135557       3.72706479       3.15797850       4.45705757      -4.35243251 
O       3.44487741       7.05348303       2.09711605      -0.64233417      -1.52456975      -2.19839433 
O       3.71367486       9.12612209       9.66186374       3.02555414       1.34950491      -0.43742323 
O       3.40688667       1.51377559       9.05782919       1.60497091       0.92876714      -0.82715863 
O       7.59090858       5.45185980       5.19769703      -0.95285913      -1.65897064      -0.33231811 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04010163595941045 -0.011695926108722807 -0.017744047997532732 -0.011695926108722807 -0.05537576746420091 0.018594544036677034 -0.017744047997532732 0.018594544036677034 -0.055221578970377654" pbc="T T T" energy=-916.45248515 free_energy=-916.454343 config_type=crystal 
Hf      10.32353931      10.31014686      10.10456579       1.74978026       1.75006543      -1.10059962 
Hf       5.21897450       1.69870717       3.00509710       3.86946467       4.47634917      -2.83351551 
Hf      10.39155192       2.65150313       7.48835960      -0.85382213       0.77854287       5.70575462 
Hf       9.40462631       0.07227424       5.13837649       0.32284815      -0.09507938       1.41405027 
Hf       7.48170729       5.17719982       7.31000729       6.13640300       6.75696275       4.58625383 
Hf       7.95660535       7.46328625       4.69201033      -4.38614047       1.14288043       4.07232818 
Hf       7.71579013       2.47835796       0.47773901       0.69980818      -0.09623316      -3.37796489 
Hf       7.87218268      10.12284333       2.37784591       1.76394457      -0.09456525       2.56378638 
Hf       2.44032923       2.18943620       5.09089993      -3.33751174       1.61258329      -0.73135605 
Hf       5.01678102       2.54703371       7.86006230      -0.73796602      -1.88212291       1.47183707 
Hf       4.87033397      10.11631211       5.05858417       0.97846999      -1.53198687       4.27001979 
Hf       2.70469487       3.15890744       0.10490796       0.56241694      -3.34567906       0.10193482 
Hf       2.61013841      10.38265304       2.68054474      -1.60831199       2.95022787      -1.38270852 
Hf       0.12950300       2.56677652       2.13551131      -0.23739200      -2.53309114       1.27026354 
Hf       2.63513284      10.45081730       7.83706115      -2.64662112      -0.69569285       6.80343956 
Hf       7.11157536      10.22332555       7.67607435       1.02935624       2.99372812      -3.80842315 
Hf       2.53190995       5.19160549       7.65578374      -3.28610753      -1.28400446      -0.71485841 
Hf       5.22158278       4.41933003       5.22110898      -2.51299823       1.74140598      -3.21032513 
Hf      10.40885831       5.38123022       4.84596751       0.18648810       0.40785500       0.29020700 
Hf       2.17606951       8.10289175       5.28642717      -0.16229642      -3.06630746       0.63725611 
Hf       5.76142634       4.97316774      10.16305960      -2.14245782      -1.70977567       4.16397641 
Hf       5.42493948       7.52748791       2.29097750      -2.39287895      -1.13328957      -1.13520872 
Hf       4.51419556       7.57670239       7.64818936       5.07928115       0.48257721      -2.59488394 
Hf       7.09005507       8.00526617       9.75134326       5.12356893      -5.19254277      -0.22685063 
Hf       7.58607121       5.12780616       2.89833862      -0.19285294      -2.59276938      -0.57621704 
Hf       2.69238160       4.79767437       3.09310843       2.62703437       2.86544057      -1.08249280 
Hf       0.32949031       8.10872383       2.47816255      -2.06859329      -0.67630413       0.55931860 
Hf       9.94620151       5.66408325      10.04459645       2.05550436      -5.65853505       2.79118515 
Hf       7.99222487       2.93103608       5.28059258      -0.96122165      -1.97816734       1.72040846 
Hf      10.12133526       7.98572285       7.56945946      -1.05216463      -0.71100567       0.52008536 
Hf       5.12693537      10.42164528       0.20808135      -2.63351766       1.68615441      -1.62871638 
Hf       2.61912824       7.79046437       0.22569397      -1.79917123      -0.43793162      -0.16651501 
O       1.69104298       9.41171894       1.32500124      -3.20407611      -3.52260694      -2.07633926 
O       1.09452997       6.59387210       0.34557163       0.58465977       1.65851091       3.07053236 
O       2.87630580       0.57160293       6.15590925      -0.51321024       0.36033815      -3.87434520 
O       1.21080558       1.29422046       3.64028722       0.44950950      -0.10587117      -2.17498865 
O       4.07262522       4.15389642       1.09977448      -0.11008011       2.32192735      -1.13148022 
O       0.70576957       0.83196232       8.49924925       1.81681077       0.60309503      -0.87660180 
O       4.05487727       3.13328377       3.60028405      -3.64419837       4.95691692       1.03333342 
O       6.59202628       4.03723795       1.54502871       0.05016378      -3.35787888      -1.18695812 
O       3.76257943       0.96879847       4.01393025      -1.62644826      -2.36044245      -1.08610732 
O       1.32415913       3.80212576       3.97756251      -1.23184315       0.59605365       1.57663616 
O       1.44641031       1.42069978       0.78139969      -0.42255858       1.50192319       1.04294443 
O       3.60354741       5.79257993       4.85077934      -1.05144612      -3.35108830      -1.88978023 
O       4.41304476       1.62717310       1.06952067      -0.72539501      -1.21173744       0.79450460 
O       8.77254089       1.21011188       3.69090648       0.58043633      -2.76303569      -0.44650468 
O       0.64230839       9.42129499       6.45854277      -0.38740072      -0.80197270      -1.38968862 
O       6.38450299       0.43127725       4.02391490      -1.90314683      -2.20236897      -0.42247997 
O       6.06331520       8.79926486       8.31002747      -0.66536992      -1.05094923       2.62612574 
O       0.10028828       2.12176961       5.77431526      -3.77880378      -5.81152113      -4.06853870 
O       3.82185434       4.00010628       8.51276080       5.85919347      -0.83594197       0.52370749 
O       1.17971867       8.82634961       9.13894894      -1.26921521       0.73636338       0.82478549 
O       1.38390460       3.96167325       1.57862595       0.73522022       0.45188019      -0.81133912 
O       2.99805408       8.62474412       7.08313963      -0.23192827      -0.24812374      -1.34969074 
O       9.01952950       9.44987672       8.86212036      -2.74847321      -0.62602466      -0.66764798 
O       0.23554780       6.29880512       8.48533569       2.73403763       1.68489925      -4.62276691 
O       1.57099588       9.24501111       3.81201841      -1.92028190      -1.04879883      -0.30805729 
O       5.11321104       5.61931848       6.70569246      -0.85919994       3.27413965       2.81315822 
O       4.20120511       9.47545496       1.78596974       1.63974706       0.04558669       1.43141399 
O       4.03566153       8.21984023       4.61139213      -1.83974003       2.12808960      -1.85630544 
O       1.93376463       4.35175606       9.33994530      -4.92118539       0.96440598      -0.32664788 
O       8.99832728       3.87367522       0.73351337       2.65796513       0.10175985       2.48344132 
O       5.05569655       0.18207483       7.26680658      -0.02297606       4.13478467      -0.01005542 
O       6.76756549       3.63005452       9.25876945      -2.00054734      -0.97922468       0.09303516 
O       4.04281550       2.77169038       6.15970157       3.22931963       1.59212680       0.27588777 
O       1.63339589       3.22483445       6.61164821       2.85728570       4.36924617       3.14281521 
O       8.88045076       4.71168941       8.80047653      -1.93974610      -1.40008262      -3.36876106 
O       9.18995869       4.22982776       6.18723207       2.34579287       0.64763441       2.95121785 
O       6.56052574       3.78608987       6.68087919      -4.06640920      -8.46645199      -1.70064473 
O       6.49046971       0.89167921       9.49018792       0.32369732       0.02298093      -0.34270296 
O       6.77318804       1.21674149       1.83398909       0.65256139      -0.22799631      -3.02919908 
O       9.07976248       1.99323242       8.98116376      -1.01108697      -0.73633817       0.69718493 
O       6.55602046       9.01059607       0.79961998      -1.24753930       1.32820015       1.50865360 
O       8.14130500       9.19395992       6.18826750       2.14460252       1.65280884      -0.79356431 
O       1.31442630       6.37107862       6.20720064       0.67052337      -0.45988717      -0.08734086 
O       8.09658241       7.08425763       7.16751814       0.28004497      -0.26560179       1.08474355 
O       8.83338122       7.03033504       9.99080290      -4.63559634       5.06971103       0.41853582 
O       9.64789827       7.13118860       5.28869645       5.52054393      -1.08258026       3.17609888 
O       5.66417452       8.81623643       6.03467444       2.92430130      -3.83599303       1.89352038 
O       5.93819460       6.45204682       8.82632910       0.83651504      -0.05942231       2.18868528 
O       3.12165425       6.74940852       8.67560231      -0.32616003      -0.88698173       2.30005512 
O       6.74453200       6.17635319       1.05488097      -1.56803838       3.86399154      -0.64589622 
O       9.10883130       6.45983849       3.12451561      -0.01166596      -1.53435914      -1.34264968 
O       9.35858853       0.98944284       1.28932521      -0.87961210       1.20650215      -1.41547242 
O       9.26179743       8.87442327       3.79096356       0.78030435       2.95703433       0.00867690 
O       9.15570522       8.99876832       1.41103330       2.58930050      -0.90689271      -1.76879446 
O       6.41948082       3.13499992       4.12524708      -1.11466306       0.43785670      -1.04039009 
O       6.14631028       6.28578140       3.70580250      -2.26859671      -3.09350981      -1.23319694 
O       6.80954950       8.21046774       3.28653511       2.37728012       7.09392655      -1.17015387 
O       7.58105758       1.15352407       5.85957429       0.93528919      -2.21592010       4.21210716 
O       1.26647289       6.54550915       3.56500510      -0.40482616      -0.00144828      -0.47442879 
O       8.88518085       3.40240316       3.80318756       4.50345451       5.50431544      -7.20536982 
O       3.41788623       7.08487744       2.10478066       0.26485909      -1.30249737      -2.06183666 
O       3.64062225       9.10464974       9.69464241       3.44001370       2.35520177      -1.30395192 
O       3.43221373       1.62042805       9.06182540       1.10895031      -0.73677673      -0.88050478 
O       7.49268131       5.44584666       5.16607236       0.28008503      -1.05324992      -0.05910181 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.024407177630937006 -0.008672837632009467 0.003836625113734777 -0.008672837632009467 -0.0317688574899969 -0.022207995902620025 0.003836625113734777 -0.022207995902620025 -0.018739232610327703" pbc="T T T" energy=-923.29654431 free_energy=-923.29680067 config_type=crystal 
Hf       0.04902253       0.15095620       0.05153808       0.88010638       1.37586576       2.00350403 
Hf       5.35633898       2.30726029       2.73150352      -1.08510673      -0.89690207       1.13412448 
Hf       0.04667894       2.73429747       7.71976048      -0.58736376       1.25478151       1.64716494 
Hf      10.26603277      10.34760916       4.94041062      -2.82626375       1.29528834       1.49931802 
Hf       7.82010580       5.15185413       7.77553570       2.47929356       1.77306024       2.27679043 
Hf       7.56283530       7.63990086       5.32933974       4.79535984       2.45070418      -3.25965145 
Hf       8.06024282       2.22954363       9.99947070       0.08495105       1.11022723       1.90772264 
Hf       7.42111196       0.04443635       2.80203419      -1.00290469      -1.97717549       1.20518201 
Hf       2.41455025       2.25012823       5.08820488      -1.17216382       5.50799195      -0.09834286 
Hf       5.59648762       2.58519494       7.70187730      -1.57371655      -1.47106108       1.54712841 
Hf       4.07574080       9.90963428       5.35058655       6.20956389       4.29998272       4.94077731 
Hf       2.54809006       2.69556782       9.95712497       3.94953445       2.81415226       3.69567528 
Hf       2.53673225      10.43715734       2.53024634      -3.55235587      -2.33732132      -0.45085803 
Hf      10.39282043       2.81207986       2.43738865       1.00573158      -1.24320368      -0.94838452 
Hf       2.14174623      10.29274356       7.88955835       3.27706230      -0.81473781      -0.33482416 
Hf       6.91196933      10.09427301       7.38585793       2.48820558       1.02956522       0.86200520 
Hf       2.34897176       5.51220195       7.65990093       0.09540873      -0.32131193      -0.00902818 
Hf       4.85058990       4.70653857       5.31946970       0.09162833      -1.12692216      -2.87194860 
Hf       0.10808685       5.17539032       4.85101190       0.67877188       1.12503282      -1.02005385 
Hf       2.02286517       7.85595505       5.05973619      -0.98679622      -3.00449857      -0.71197547 
Hf       5.40158112       5.04947931       0.38716808       2.72689741      -2.89058028      -1.92750541 
Hf       5.26036623       7.54658213       2.54584716      -0.02025139       3.46403256       0.90188272 
Hf       5.11532584       7.36484191       7.94610001      -2.44594999       1.62197956      -1.66627841 
Hf       7.89133510       8.02315647      10.23605370      -3.18639501      -0.98885244      -0.38264644 
Hf       8.01647736       4.75093002       2.03661388      -3.52585882      -0.71546631       0.93576742 
Hf       2.99852967       5.28485860       2.30035113      -4.55493406      -4.17201954       8.26435017 
Hf       9.99988589       7.91024637       2.33254747       4.42354145      -2.81532652       7.12704259 
Hf       0.31855942       5.12398641      10.22105062      -2.74803087       2.15761737       2.92694409 
Hf       8.02809233       2.87684387       5.34084011      -3.01280096      -1.17949226      -1.04774386 
Hf      10.00564314       8.19218717       7.91069704       0.25418865       0.74308255      -3.65012550 
Hf       4.71593062      10.41588646      10.33397254       4.40141776      -0.77121066       2.44642821 
Hf       2.46871639       7.71975295       0.03059375      -0.75657386       1.29305052      -1.00049827 
O       1.02198529       9.46941272       1.39064221      -2.31530543      -0.23527956      -0.59749111 
O       0.82127874       6.81560137       1.07959041       1.14987477      -0.85227209      -1.30363441 
O       2.45867041       0.61950851       6.16758587       1.30098411      -0.43662651      -0.51224464 
O       0.52209655       1.10118334       3.37199278       2.24827234       0.20094509      -0.01829728 
O       3.91483145       3.35683647       1.81085376      -0.92248029       2.89192014      -2.14397063 
O       1.50129360       1.63399078       8.88602547      -3.72652857      -3.37392113      -3.91339110 
O       3.30072958       4.08318886       4.11155624       2.76989853      -0.40882872       1.21825076 
O       6.31041140       3.71257465       1.62599524      -0.71583504       4.08363092      -0.01084949 
O       3.70158713       1.14042217       4.21565087      -1.16325675       0.29015338      -2.65549429 
O       1.03526375       3.53149463       3.84772249      -0.09470309       0.93410826       0.92874961 
O       1.94359344       1.22386112       0.83981668      -2.65405576      -0.59520509      -0.18801599 
O       3.67785429       6.63721399       3.84500934       2.53669368      -1.14300027      -1.61037525 
O       4.05420597       0.60674529       1.72423392       3.92391580       1.23290984      -1.77089042 
O       8.66008774       1.31180671       4.55634975       0.90530407      -2.10992237      -1.66114474 
O       0.81352108       9.39551580       6.60591440       0.16097481      -0.43877550       1.44561665 
O       5.91926794       0.26206287       3.94434101       0.84645367       0.82968524      -0.49889250 
O       6.22018679       8.65217603       8.92084914       1.34194543       0.29067502       1.05886266 
O       0.28177564       1.56825499       6.32014926       0.09151052      -0.93168358      -2.75338084 
O       4.06551982       4.03285450       8.81024035      -1.32324654      -0.89358837       1.10052109 
O       1.06650442       9.39573193       9.22655753      -1.95291252      -2.15369378       0.54564071 
O       1.48505289       3.75357714       1.08140463      -0.71079689       2.07698949      -0.00004962 
O       3.39077971       8.50447262       6.69089827      -1.19975876       1.22384068      -0.69532623 
O       8.55837773       9.31973999       8.84089313       1.78793029      -1.37562544       2.50513668 
O       1.19716634       6.57353125       8.88751272      -1.86376056       0.66092364       2.56754197 
O       1.10114827       9.24033764       3.93309079       2.54011954      -0.91595983      -0.15797391 
O       3.89859273       6.02048259       6.42413169       1.10971674      -0.55495708       0.24070463 
O       3.06341833       8.45159371       1.75349250       1.53578768       0.49915013      -0.95123401 
O       3.97110392       8.93725292       3.86688474      -1.15716147      -1.27894607      -2.22074694 
O       1.21805615       4.04646380       8.94574111       2.54068220      -1.19110772      -2.25079500 
O       9.34181875       3.89767662       0.76661074      -0.56029933      -0.35547141       1.10607008 
O       5.08777985       0.17651728       7.41520202      -2.72871009       0.42269117      -1.63334652 
O       6.52989368       3.43986577       9.87777234      -0.86668949       3.74410968      -2.50172166 
O       4.24436248       2.85495476       6.22138820      -1.26214407       0.99053292      -0.20222052 
O       1.49943857       4.30036890       6.22027073      -0.49965037      -1.05330834       0.59784720 
O       9.20972097       3.84435918       8.77135622      -2.34512175      -0.65231955      -0.38920298 
O       9.30470267       4.06708965       6.24671714       1.12730192       1.84604650       1.88106573 
O       6.59966870       4.11721898       6.68643528      -1.23535948      -0.94910969       0.40656120 
O       6.54620180       1.36607229       8.98761198       0.63118754      -3.74423008       0.62252981 
O       6.76262848       1.74168683       1.51614106       1.74508062      -5.58953813      -0.06240446 
O       9.20361781       1.09101835       8.81529385       2.45335830       1.75532966       0.06968950 
O       5.88140856       9.22207401       1.16763889       1.69148715      -0.57315856      -0.21027678 
O       8.85816173       9.30310773       6.52985150      -0.45733920       0.85535287      -2.01938772 
O       1.00423252       6.96231583       6.60511636       0.19264636      -1.93778713      -1.20143140 
O       8.18195991       7.22185875       7.34672586       0.60465084      -3.69526847       0.57278233 
O       9.10135331       6.03059210       9.75875479      -1.79296746       3.98941422      -1.31240958 
O       9.84597173       7.37011991       4.50171859      -1.23222760      -1.34917358       0.96243691 
O       6.03542581       8.52034681       6.14770396      -1.66156498       0.69703708       1.36551899 
O       6.09514542       5.83049824       8.61097458       0.93907896      -0.18488918       0.65598058 
O       3.52553748       6.67071023       8.83014089       0.62749494       0.60525837       1.84144549 
O       6.99799814       6.48972880       0.69946243      -1.51916900      -1.10936440      -1.29862299 
O       9.28847169       5.91955221       2.49427255       3.29125111       4.79366887       0.48647598 
O       9.24634492       1.51511328       1.10573571       1.50175687      -2.53282507      -0.21245898 
O       8.93833031       9.55236771       3.75228080       0.53083689      -0.80780246      -1.93283371 
O       9.00953375       8.91475132       1.17391945      -3.15625542       2.42343256      -3.92497357 
O       6.29224741       3.00008945       4.42190116      -1.94020267       1.71030573      -1.95776765 
O       6.16470557       5.86834842       2.71312969      -2.07968796      -1.29246580       0.15020354 
O       6.91563543       8.36063542       3.38785703      -0.92514448      -0.73904911       0.46112769 
O       6.98077329       1.47556203       6.42484820       0.36330238       0.47171749       1.95122813 
O       1.42615246       6.35115569       3.74991313      -0.47769704      -1.65229869      -0.20705835 
O       8.98647211       3.67340082       3.69955543       0.11662837       1.51236456      -2.62229596 
O       3.64959586       6.25389151       0.88242123       3.15923099       0.48072301      -2.83249171 
O       3.84812597       9.03881828       9.41284333      -3.55687314      -0.97059609      -0.47450001 
O       3.89971083       1.31630812       9.36445882      -1.24417664       2.46547859      -1.49036635 
O       7.25974828       5.89522405       4.85321692      -1.23135611      -2.42943408       1.63273812 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.027421391892526112 0.005801224808385371 0.0007312082355908011 0.005801224808385371 -0.040595355165976475 -0.01203510074336993 0.0007312082355908011 -0.01203510074336993 -0.01967578622777517" pbc="T T T" energy=-924.84605644 free_energy=-924.84708414 config_type=crystal 
Hf       0.08970245       0.11551995       0.06801272      -0.57630820      -0.10621205       0.33035490 
Hf       5.20709913       2.32129033       2.68361050       0.47288776       0.06313437       0.45563082 
Hf      10.46548757       2.68814624       7.66873912       0.07791401       2.50929954       0.96943823 
Hf      10.39798937      10.30900343       4.84606495      -3.67498818       1.02328843       0.23343192 
Hf       7.75972242       5.14361723       7.83941186      -0.85889921      -2.69228950       3.97569981 
Hf       7.52221587       7.77282391       5.21779831       1.95823884      -1.39990131      -2.33759891 
Hf       8.01917345       2.17159092       9.92764274      -0.41279393       2.98658133       2.80956846 
Hf       7.32036035       0.06385617       2.93363494       0.82575005      -1.22954750      -1.15171419 
Hf       2.38959799       2.32002099       5.11276131      -0.01994266       4.86489883      -0.02771443 
Hf       5.62583725       2.59634688       7.54927718      -2.55124562      -1.02141364       4.32698818 
Hf       4.09517465      10.01579001       5.48439796       5.08090613       1.13735143      -3.21439540 
Hf       2.49647506       2.63998497       9.90362029       3.85586857       0.86955504       2.47867365 
Hf       2.45880657      10.38042384       2.49248806       1.77897371      -0.81572478      -2.01272697 
Hf      10.34852014       2.85253466       2.50671686       1.02167641      -5.23996655      -1.95777010 
Hf       2.10741322      10.32362000       7.86164071       5.33861293      -4.32164936       1.83377914 
Hf       6.98666796      10.05645790       7.41976894       0.43133679      -0.49601396       0.26719705 
Hf       2.33334719       5.59930114       7.55706979       1.96964096      -0.11231880       3.31995291 
Hf       4.91798658       4.78623774       5.26967989       1.75344453      -0.32189988      -3.94818921 
Hf       0.08387079       5.07146325       4.90386046       1.37304223       3.20237677      -0.57212586 
Hf       2.11402661       7.83312848       5.05378657       1.79067045      -4.13968223      -1.89036678 
Hf       5.39163928       5.05957281       0.38567288      -0.00456217      -0.31561365      -3.53672892 
Hf       5.11052206       7.60358681       2.65863260      -0.16459197       0.44722394      -1.53884321 
Hf       5.09893514       7.34444255       7.93623624      -3.48225997      -0.48949233       0.02194008 
Hf       7.89487780       7.95002986      10.25734185      -2.56763637      -1.60453271      -0.71957717 
Hf       8.06689733       4.70082497       1.97143290      -2.83447595       6.95630547       1.19564511 
Hf       2.97516021       5.35798259       2.32479536      -0.89102542      -1.66436353       1.74245553 
Hf      10.03059278       7.87152488       2.37362500       0.39383180       5.44533388       2.58308029 
Hf       0.43600410       5.19328930      10.45948803      -2.53157032       0.03973123      -1.47027941 
Hf       7.99075039       2.86120287       5.35221676      -1.24468808       0.61278356      -4.76081792 
Hf      10.00063297       8.20903660       8.01338344       0.71628332      -1.69869392      -1.58215746 
Hf       4.86146177      10.27832260      10.28861622      -0.67204393      -0.24655362       0.39893165 
Hf       2.41446275       7.71392369      10.38063881       3.65789619      -1.33431052      -0.45337030 
O       0.79284992       9.48035974       1.46915473       0.80375447      -2.42572199       2.13754665 
O       1.29522511       6.60058229       1.09426026      -0.12791483      -0.86440400       1.96514405 
O       2.61813929       0.63965908       6.14986858       0.02306641       0.79928920       1.05611526 
O       0.71518182       0.89193427       3.29189820       1.51273372       2.33784483       0.13880051 
O       3.86623071       3.46102665       1.70842734       0.56827735       1.58749418      -0.91454031 
O       1.22893785       1.19086946       8.77083113      -0.44169655       3.10442946       1.69353120 
O       3.36440520       3.98436972       4.27338128      -0.18402944      -0.00167152      -1.38536883 
O       6.39596997       3.99050344       1.66608800      -0.75506127      -4.41886863      -1.41589661 
O       3.77854614       1.42865430       4.16967536      -1.09619187      -1.00404727      -1.62970173 
O       0.84566687       3.35695044       4.10715740       0.10294784       0.44054210      -0.76013845 
O       1.74614449       1.14394948       0.90779747       0.37201049       0.20814002      -1.42018885 
O       3.80834310       6.41708343       3.84040767       0.69646299       1.74763779       0.42721563 
O       4.41975276       0.56015594       1.82679870      -1.38095763       1.19640419      -2.03080774 
O       8.92033661       1.28481752       4.09808875      -1.77391824       2.90457545       0.84867110 
O       0.95554930       9.49926023       6.68506358      -3.94862208      -2.41464502      -0.64468112 
O       5.88875426       0.44403209       4.09946705       1.32312961       0.04944033       0.68699721 
O       6.32769957       8.60138597       8.88880352       1.67873017       1.99920709       0.58781853 
O       0.30174840       1.47147822       6.12254164      -0.34649769       1.28278011      -0.21486636 
O       3.89262908       4.22526941       9.15336624      -1.01055105      -2.54284129       1.25353813 
O       1.12063571       8.89545154       9.57827784      -3.44033015       2.89070522      -4.14230402 
O       1.53438762       3.68372101       1.03306669      -2.16730446       1.60887074       1.75792599 
O       3.33758128       8.47213489       6.48784541      -0.51871372       0.19992714       0.10715199 
O       8.90235913       9.37795823       9.15500817       1.13899955       0.63649027      -2.92581352 
O       1.16966693       6.40362474       9.02631107      -0.32743004       0.40252556      -0.77773005 
O       1.50019570       9.29872752       3.98002196      -1.59971198      -0.62550495       0.61246645 
O       4.19487410       5.93427522       6.58368200      -1.75079408       1.66271894       1.38102136 
O       3.39286552       8.51873679       1.59976139      -1.70948863       0.70276150      -1.75067930 
O       3.96082266       9.13524726       3.72119262      -0.25341635      -0.81068523       1.93035999 
O       1.34452667       3.89043464       8.97060200      -2.07263389      -0.02331718      -2.43764734 
O       9.24954277       3.82115258       0.82632763       1.93547586      -1.38301494      -1.18732544 
O       5.04993689      10.36545236       7.14627604       0.69643462       3.51321179       1.83340514 
O       6.54954743       4.01668862       9.42504241       3.32793869      -5.87368420       0.63905236 
O       4.13704500       3.19226437       6.47287288      -1.07180294      -1.42854320      -0.38622963 
O       1.49990400       4.37533264       6.23062682      -0.83674475      -1.77169509       0.06419703 
O       9.12615495       3.91096974       8.67667322      -0.45694486      -1.35780438       0.45187257 
O       9.34429987       4.13800852       6.29212151      -1.02742613      -0.82130086      -0.74891007 
O       6.59540582       4.01549160       6.72054462       0.37866613       0.35412461      -1.63248868 
O       6.56342310       1.20929866       8.94565571       0.64543849      -2.00826131       0.71130262 
O       6.99524637       1.66024211       1.67612854      -1.31234393      -0.78165181       0.13314578 
O       9.40267709       1.49001774       8.76730873      -0.87304195      -1.71347298       0.16799577 
O       5.93301687       9.24328513       1.01204669       2.17876772      -0.88875940       0.44477164 
O       8.75895806       9.28808737       6.28417546      -0.94767235       0.35327415       2.54412726 
O       1.08650093       6.97508208       6.44105689      -0.75025074      -1.93557601       1.17804875 
O       8.44416711       6.82997858       7.65422920       1.42468171       5.54866794      -2.82743885 
O       9.28800406       6.26769120       9.66638388      -0.77748554       2.19245582       2.25570023 
O       9.57421497       7.23349193       4.61818804       0.48038165      -1.37771654      -0.45987036 
O       5.90693771       8.49353732       6.28758315       2.48434304      -0.63713496      -0.64110656 
O       5.92098492       5.76100906       8.70595649       1.15840611       4.54328487      -1.33626717 
O       3.56196258       6.54345736       8.95929965      -1.01876383       2.26833652      -2.70841470 
O       7.08275364       6.61172137       0.88872659      -0.50390170      -2.36818815      -0.46197083 
O       9.76011969       6.13427823       2.26332203      -2.85315787      -5.29475427      -1.64435058 
O       9.26858455       1.24617527       1.05372393       0.99093673       1.09419609      -0.66219154 
O       8.79270392       9.47287243       3.80553052       2.40689087      -1.56839571      -0.82614153 
O       8.83518988       9.09605511       0.97621126       1.30747825      -1.18826063       3.02305408 
O       6.16891832       3.40130390       4.31422531       1.65738609      -2.27535823      -0.22458238 
O       5.93210087       5.76067320       2.72952844      -2.77024238       1.51280114       0.31545017 
O       6.78983422       8.18121639       3.40107259       0.40182978       1.64450049       0.88994632 
O       7.21045352       1.60311539       6.51152132      -0.48991713      -2.28953916       1.60215206 
O       1.50521319       6.14345269       3.68079969      -1.48913053      -0.06896724       0.99188036 
O       8.96463438       3.93478840       3.49473922       0.46725440      -0.22313778       2.38463273 
O       3.82964789       6.26443056       0.55957926       0.26627963      -1.12841588       5.08158689 
O       3.61071424       8.88873371       9.26170826       1.96650665       4.42086745      -0.71944372 
O       4.07879264       1.56266981       9.27063090      -0.69526937      -1.36189835      -0.12152683 
O       6.80048786       5.95306508       5.03231077       0.27916577       0.70549418       1.99240921 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.022554653451350628 0.008051005614823662 0.010722470904251507 0.008051005614823662 -0.015701626589357358 -0.0032942745396974905 0.010722470904251507 -0.0032942745396974905 -0.020136660210339778" pbc="T T T" energy=-928.57954025 free_energy=-928.57959703 config_type=crystal 
Hf      10.06139104       0.13749259       0.37689770       2.37553078       1.39451811      -1.82344895 
Hf       4.97796858       2.79439837       2.47215726      -0.45897045       2.52491699      -1.69852182 
Hf      10.44718961       2.80888715       8.08553952       2.38633411      -1.89215523       1.94175974 
Hf      10.22032960      10.46598188       5.20658482       1.52996668      -2.97549262      -1.10422535 
Hf       8.36229986       5.18985105       7.85369665      -6.55501678      -3.74801495       1.36239100 
Hf       7.71846581       7.57739420       4.99806013       2.08190517       1.38640956      -0.08055812 
Hf       7.35529558       2.24473197      10.16760224      -0.39760966       0.82544955      -0.10094769 
Hf       7.19931320       0.30062747       2.61073540       9.80978815      -6.02906135      -3.23700351 
Hf       2.78972029       2.20138222       4.84949692      -1.86646682       2.99276887       0.37687658 
Hf       4.82687527       2.13245047       7.37997446       4.17591804      -0.30270219       1.75539381 
Hf       5.31232421      10.11780762       5.08984682      -1.84621732      -0.79328470       1.70147678 
Hf       2.53614363       2.40223519      10.26627737       1.32187484       1.35094920       1.19396395 
Hf       2.72075609      10.16501762       2.13084108      -0.37159339       1.78967342       3.43947162 
Hf      10.17632729       2.38990109       2.64138692       0.95991888       3.44593351       0.32814162 
Hf       2.10041270      10.29424023       7.64155536       0.58587339      -1.55905213       1.25950151 
Hf       7.85119031      10.31214591       7.77645139      -2.72772745      -2.10713424      -3.44959564 
Hf       2.42544703       5.24673264       8.28739944      -0.52161055       3.06732220      -6.19250964 
Hf       5.23920462       5.13589747       5.13386870      -0.25178938       0.61914055       1.29650831 
Hf       0.15535504       4.99514906       4.82933075       2.19725688       0.27266348      -0.02760162 
Hf       2.37201320       7.65179800       5.32046995      -2.35641291      -1.67848842      -2.13459524 
Hf       5.34940868       4.97826792       9.76509742      -0.01036234       0.16680898      -0.01828966 
Hf       5.07296117       7.47357044       2.46800071      -0.81778633       0.81221028      -2.68778886 
Hf       5.06840817       7.49713614       7.55584597      -0.24174421       1.44080100       2.28125501 
Hf       7.66162252       8.22169253      10.46475326       0.50386697      -2.31459903       2.31353169 
Hf       7.82448591       5.28260314       2.51902752       1.64464300      -3.87875340      -0.50824833 
Hf       2.41131127       5.52519730       2.56268727       2.54553716      -2.56465187      -0.88017795 
Hf      10.40327354       7.97409270       2.64097089      -0.72362364       1.03415054       1.26721316 
Hf      10.15516829       5.21882117       0.27660314      -1.92436182      -1.19216826       1.10511428 
Hf       8.11258449       2.48983258       5.41182052      -2.73700815       5.36430598      -1.25796170 
Hf      10.18649562       7.84543264       8.03115578      -0.26488343      -1.02527175      -2.05918055 
Hf       4.78957416      10.02152842       9.74681003       1.01377044      -0.35573639       3.33925854 
Hf       2.11536848       7.89739094      10.44009520       5.71453392       1.40127318      -4.03957606 
O       1.31000684       9.20491007       1.15647187      -5.57120525       0.10542954       0.59157573 
O       1.38762858       6.74852015       1.13719408      -6.40997058      -4.81635344       2.71094886 
O       3.73368707       0.65297209       6.15338951      -1.32632227       3.08760699       0.60850046 
O       0.60410121       1.90059023       4.51812248       1.28872957      -1.57451443      -0.25661950 
O       3.03401647       3.90613383       1.22419374      -0.06353878      -1.43721657       0.67221183 
O       1.16151491       1.06807822       9.71968311      -0.94940682       0.02917443      -2.17848744 
O       4.01273679       4.15945816       3.76057421       2.82872349      -2.21612832      -2.74384687 
O       5.58606495       3.27924487       0.42149753       0.86898252      -2.40843329       0.66779610 
O       3.51361899       1.01324852       3.50757057      -0.86722000       2.59624958       0.61929168 
O       1.94413192       4.04427689       4.43087467      -1.97782621       0.14725022      -0.60359202 
O       0.95380930       1.09602402       1.72064412      -0.51376445       0.73021049       0.96693370 
O       3.71569808       6.54177753       3.80228056       2.25742644      -0.39598894       3.23580375 
O       3.46537839       0.92255879       0.68756298       1.96219496       0.91176146       1.87154325 
O       8.80315295       1.60418043       3.79381591      -1.89634903      -2.16326690       0.24186778 
O       1.05866879       8.98491128       6.37179137       2.92116462       0.98940721       0.55825352 
O       5.82316939       1.09360466       3.26956772      -5.96911359       3.93697917       3.69527088 
O       6.28101216       8.38379367       9.16783304      -1.42445022       0.99612420       0.54030715 
O       0.83746011       1.20154530       7.00402657      -0.16415118      -0.51397409      -0.42393555 
O       3.44147390       3.88675880       8.98391501       2.80789457      -4.77120532       0.77946577 
O       0.90426021       9.09167134       8.89209336       2.83527579       1.30154194       2.06718894 
O       0.22945040       4.55531391       2.48820435       1.68656882      -0.37743211      -1.93059300 
O       3.74021002       8.72652414       5.99029985       3.28066860       0.74043311       0.57891919 
O       8.93885749       9.10712050       8.95533014      -1.95356532      -0.58265066       2.31841935 
O       1.20208473       6.53096772       9.06430840      -1.50720582      -0.08547705       0.68515303 
O       1.02095332       9.19322917       3.93751045       1.16682818       0.82053337      -0.63939135 
O       3.83364734       6.04863133       6.76572553       0.61020508      -0.79663291       0.13624869 
O       3.52584446       9.06909239       0.90395313       4.31683041      -1.65310364      -5.15521236 
O       4.08696507       8.95500977       3.19692298      -0.61928072       2.88619851       2.43417526 
O       0.83072176       3.59197504      10.08420537       0.35707041       1.29107945      -1.33632789 
O       8.29540493       3.98451709       1.10577350       1.40140149       0.53588720      -0.81917877 
O       6.58873016       1.24827426       6.07438132      -4.20996183       1.08699534       0.01515534 
O       6.34955080       3.38344919       8.23241170      -0.71064772      -1.88504369       1.32986922 
O       4.59217095       3.35895190       5.85171438      -1.41124266      -1.65690788       1.62225476 
O       1.33090177       3.89753553       6.89674195      -0.41675781      -1.36210097       3.64273167 
O       8.96404702       3.73908784       9.44274484       0.73998622       0.81517921      -2.85276157 
O       9.29440697       3.61182052       6.77584373      -0.97604995       0.11299807      -1.64455332 
O       7.11289922       4.60594614       5.86588834      -1.09302827      -0.75611455      -0.88760604 
O       6.22358265       0.73346941       8.94758232       0.85684601       1.55251330      -1.52008698 
O       6.86138440       0.46841436       0.72560260      -1.07161573       2.48310377      -2.47117293 
O       8.84347420       1.00201703       8.84253360       1.98004146       4.59503733       3.27610453 
O       6.51822513       8.92776091       1.62879327      -0.38616314      -2.74341352      -1.56927378 
O       9.38086929       8.92304348       6.55092080      -3.98171580       2.30601001      -2.00228008 
O       1.48097515       6.12701239       6.28696920      -1.86577465       1.70904847       0.33231746 
O       8.81502958       6.67159002       6.95849462       0.74149138       2.06801384      -3.72619204 
O       9.06376688       6.57205667       9.32220017       0.38941670      -1.20996083       2.05572834 
O       9.36656660       6.61723747       4.43605355      -0.65620580       1.11016273      -1.45317821 
O       5.99935635       9.44586492       7.06007537       0.36843918      -0.37869502      -2.74651336 
O       6.41023791       5.87435424       8.26735594       0.39760671       0.51433083       0.91538299 
O       4.00567922       6.40092079       9.59330196      -1.92784690       0.18067343      -2.95897054 
O       5.92996670       5.94324810       0.90610080       2.33700667       0.89810868       0.82773001 
O       9.08674908       6.52257634       1.53994653       0.29622976       1.20498009      -0.23768893 
O       8.89103188       1.49891621       1.38887322       0.26709838      -0.74846765      -1.93722098 
O       9.01262295       9.25095706       3.46342069       0.68054451       0.03774623       2.01613313 
O       9.10955724       9.09823794       1.09700104       1.01233720      -0.38909786      -0.18013353 
O       6.75775196       3.52301178       2.86496568      -2.72029198      -0.25653779       1.27908151 
O       6.65367513       6.57692659       3.35410050      -0.47923227       0.69094269       3.67160632 
O       6.66592948       9.30283530       3.93329278      -0.03660571      -1.81940903       3.63139871 
O       8.67841343       0.83927034       6.11915667       2.82144263      -1.66262403       2.14989610 
O       1.34501063       6.73641996       3.71186441      -2.67275735      -0.18962688       0.29630977 
O       8.93940477       4.19528448       3.95730539       0.27649216      -1.78683929       1.72877376 
O       3.54687744       6.82726522       1.45341294       0.00748040      -1.40390024      -0.03280764 
O       3.70764245       8.95483247       8.58090183      -1.54165467      -1.53592271      -0.59054154 
O       3.70992346       0.89773234       8.82660634      -1.71413324       3.65763835      -2.94784295 
O       6.11381126       6.97938097       6.00380428       0.55586034       0.05800990      -2.54430512 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012852468524798488 -0.002105851306402985 0.004673285811811042 -0.002105851306402985 -0.009010273176244315 0.00967866663305639 0.004673285811811042 0.00967866663305639 -0.026497328907971542" pbc="T T T" energy=-930.0798894 free_energy=-930.08030624 config_type=crystal 
Hf      10.13392850       0.10837802       0.36671880       2.06888873       4.44433897      -1.61566470 
Hf       5.04464142       2.83734663       2.43200965      -1.36915259      -1.37926537      -1.95857378 
Hf      10.37348789       2.72156419       8.24918557       2.57229712      -1.46940031      -2.08727560 
Hf      10.21275092      10.42423326       5.26511192       0.37038353      -0.92399909      -1.39359680 
Hf       8.30772355       4.99131581       7.83745928      -3.30738119       4.33676042      -6.92689126 
Hf       7.68623044       7.70212567       4.89972045       2.41298575       0.87710018       2.60385786 
Hf       7.17577879       2.17694657      10.27066459       0.91225661       4.89283763      -3.36717018 
Hf       7.20316235       0.28020069       2.53576130       0.88586192      -2.02972755       2.24356034 
Hf       2.63633185       2.17815469       4.90589529      -1.23136728       2.95476867       1.17414371 
Hf       4.86510590       2.06824316       7.25011917       1.53526582       2.10571408       3.75381688 
Hf       5.26612316      10.16876839       5.16630953      -1.12703602      -0.70862999      -0.49909717 
Hf       2.61881049       2.39792123      10.29116317      -0.96278384       1.35524907      -0.66629103 
Hf       2.64603684      10.06235068       2.12270832       1.47123021       2.94156908       3.87510456 
Hf      10.23048872       2.49045176       2.67050075      -1.46684240       0.71888681       1.74596519 
Hf       2.11468137      10.23173713       7.70921903       1.78994947       2.16357916       2.25666358 
Hf       7.89492751      10.27253396       7.70530247      -3.18856075      -0.92320094      -0.08544726 
Hf       2.54760830       5.28375400       8.14902885      -1.91807822      -2.62442664      -2.13866752 
Hf       5.23235795       5.21235275       5.10705377       2.28892846      -3.49571313       2.43465055 
Hf       0.21430329       5.03877406       4.74605025      -3.85465699      -2.52735126       4.32808365 
Hf       2.34886281       7.61746091       5.34512947       0.45350169      -0.34613392      -0.20231056 
Hf       5.31056851       5.07681745       9.76328383       4.07942342       0.70954090       0.54695945 
Hf       5.04028790       7.42644387       2.46355059       1.03601326       0.75130777       0.00212583 
Hf       5.10839742       7.59390286       7.52294055       1.20146254      -0.14716314       0.02982999 
Hf       7.69747826       8.26834730      10.43776009      -0.33948296      -6.38818342       3.43040995 
Hf       7.80984547       5.33374884       2.48484920       0.50135810       0.68779179       0.92992274 
Hf       2.37098071       5.46729389       2.54778518       1.36816505      -4.73101808      -1.15306626 
Hf      10.42873728       7.95780447       2.65894931      -6.77789573      -3.12551034       3.69670284 
Hf      10.14573458       5.21695348       0.29903064      -3.64698756      -3.06569157      -2.88793449 
Hf       8.11461651       2.46334775       5.43787246      -2.08311541       3.36823371      -1.46287143 
Hf      10.23905384       7.85099700       8.06508197      -1.01733032      -4.69736381      -2.90372787 
Hf       4.88648719      10.07869041       9.81399613      -0.19301097       0.42447320      -0.45657510 
Hf       2.09202006       7.90232764      10.44678489       2.99780510      -6.07292512       0.16640249 
O       0.96495507       8.95819955       1.45932906       4.19740229       2.98640961      -5.23052895 
O       1.00220584       6.26366181       0.95355214       7.47895233       5.88082154       3.53147213 
O       3.79462327       0.96413096       6.07206316      -3.08383376      -2.35136847      -0.97221327 
O       0.63573101       1.73494838       4.37234098      -0.68983723      -0.90217147       0.24996988 
O       2.77690872       3.93519313       1.16093613      -0.27093706      -0.30861529       1.33934071 
O       1.14598746       1.12787026       9.46965281      -2.13682704      -0.98954732       0.78265713 
O       4.06555206       3.93136135       3.52363462      -1.36732430       2.60590731       1.42711717 
O       5.69291607       3.23614255       0.57839194      -0.72883242       2.29185710       0.59779883 
O       2.95529568       1.27358457       3.32975591       0.77642921      -0.85626620      -0.89997368 
O       1.88251248       4.01297259       4.44955914      -1.25375536       1.43299464      -0.90787140 
O       1.03768909       1.34081504       1.73472827      -0.40824734      -1.75848816      -1.87817835 
O       3.93791476       6.33038750       4.26953746      -4.11821465       3.74535853      -3.72516959 
O       3.62556536       0.99300710       0.88919904       0.69671826       0.00653705      -0.84180887 
O       8.71483612       1.06170326       3.82215053      -0.51099765       2.49552210       1.55411363 
O       1.26928935       9.08489824       6.28638582      -0.66560804      -0.51070290       0.99320062 
O       5.59493035       1.27237949       3.44711152       2.34366322      -3.50163066      -0.37875573 
O       6.29166769       8.37322438       9.17529994      -1.38853271       2.45874087       0.64130268 
O       0.92497816       1.06520190       6.91475731      -0.79050159      -0.84118053      -1.33170873 
O       3.84031808       4.02030521       9.25413586      -3.30428921      -1.15340411      -1.16109111 
O       1.15281164       8.96595888       9.32141625      -3.15674866       3.78921061      -3.77650963 
O       0.26307013       4.64268481       2.38005648       0.64656919      -2.62966607       1.25276861 
O       4.01903001       8.79574592       5.89992913      -1.38303642      -2.73401740       3.02534548 
O       8.92854441       9.20126271       9.10051308       0.67709336       1.19965662      -1.80285890 
O       1.25499022       6.48808237       9.04363902       1.30127535       1.18769204      -0.21165553 
O       1.18071191       9.00113923       3.78038694       2.05223617       1.44151907       2.25981653 
O       3.80336527       5.93417150       6.76250027       0.73196740       1.46203107      -0.32134570 
O       3.62384995       9.04367586       0.50516245      -1.38199232      -0.47134930       3.92369704 
O       3.84736183       9.27385135       3.72721090       0.26550663      -0.93464516      -4.65996786 
O       0.86928175       3.75085844       9.60878200       1.60307278       0.59232804       2.22695894 
O       8.51630780       4.32008219       1.00305654      -0.90180403      -2.91340187       0.57630557 
O       6.18922955       1.24527967       5.96015886       3.63432370       1.91677613       0.68462028 
O       6.14578509       3.14381811       8.65127991       1.57528639       1.52479457       0.06955434 
O       4.63095555       3.43961260       5.98317372      -1.66712129       1.49911420      -1.03314586 
O       1.61230136       3.46545814       7.20634721       0.84902102       1.80207526       0.88202089 
O       8.97008612       3.89769713       9.16540875       1.01857976       0.27343486       1.24992348 
O       9.43703877       3.59164797       6.40237905       0.94141491      -0.17720717       3.81393736 
O       7.04197502       4.50879029       5.93083435       0.82177872      -2.22106537       0.29891143 
O       5.87466058       0.77293075       8.51292753       2.33539876      -1.74115511       1.62963303 
O       6.38747916       0.72679376       0.63482809      -0.81422001      -3.64178108       1.93233892 
O       8.79361113       1.69215386       9.29053311       1.24174447      -4.71407058      -1.32068738 
O       6.21032930       8.79478962       1.57148496       1.48365357       1.66293586      -0.39887282 
O       9.03489252       8.99148584       6.23139787       0.03043566       1.25066113       1.51247992 
O       1.07896768       6.31441252       6.55685430       2.18461737       0.85165147      -0.97923618 
O       9.10764004       6.57198623       6.65897029      -0.28203673      -0.20316289       2.22239173 
O       9.37661070       6.62262673       9.41879347      -1.98960200       0.91336088      -0.89129707 
O       9.08223847       6.62891953       4.08401517       0.32562772      -1.59914554      -1.71321949 
O       6.34324230       9.29365079       6.96528781      -0.16073753      -0.30900307      -1.76958303 
O       6.65358857       6.02779721       8.07611167      -2.04925860      -0.70692306       3.45762833 
O       4.28616731       6.71268880       9.29326312      -1.21593737      -2.00039443      -0.74480294 
O       6.58397599       6.29835486       0.98327542      -1.13283629      -0.45756182      -0.09104973 
O       9.14941901       6.63725690       1.47232243      -1.02913128       1.25490357       0.81748755 
O       8.90168207       1.45862102       1.35749053      -0.75534329      -0.51810419       0.27056121 
O       9.07271098       9.25145682       3.46570243       1.36198769      -1.07853813       0.20981608 
O       9.12655120       9.14770706       0.99145036      -1.53264363      -0.05182778       1.60278688 
O       6.62298226       3.63832366       3.13787467       1.65614679       1.83926736       0.06608285 
O       6.42348937       6.63100052       3.69272927      -0.02950528      -1.36803569      -2.99159644 
O       6.87248873       9.46937713       4.26858504      -0.99005794       0.15756755      -1.46800693 
O       8.95260338       0.98681268       6.66962666       0.42640389       1.92773542      -1.87056185 
O       1.08111921       6.52477247       4.03376140       3.28728499       3.23258230      -3.76417966 
O       8.99102595       3.90426467       4.22990196       0.98598846      -0.92293682      -3.34274177 
O       3.84525100       6.43468769       1.26086510      -1.84207103       0.04564435       2.16067317 
O       3.67385191       8.86267591       8.64031416      -0.24282324       2.15885479      -1.62507658 
O       3.26471863       1.31068474       8.56000156       2.51956492      -0.26054328       0.25376442 
O       6.20674756       6.89245698       5.90235676      -1.54812636       0.81740853       1.19606940 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.029563635803366732 0.016551709153488105 0.010487419540306403 0.016551709153488105 -0.0062784639717044614 -0.017212929562178767 0.010487419540306403 -0.017212929562178767 -0.031671903335265546" pbc="T T T" energy=-932.38855896 free_energy=-932.38864621 config_type=crystal 
Hf      10.24603291      10.15204748      10.40181173       2.02216788       1.47311509       1.14154181 
Hf       5.23367962       2.35492556       2.43554974      -3.68487171      -1.56810910      -0.04565113 
Hf      10.17931957       2.35370217       7.67575869       2.33209840      -1.37715179       0.08094261 
Hf      10.44823812       0.14278953       5.09349534       1.34592523      -1.91760093      -0.16832270 
Hf       7.61219851       4.42293909       7.09327876      -0.85437268       4.24284080       2.81207360 
Hf       7.73922018       7.71669880       5.11147616       0.23332418       0.55334640      -0.93395965 
Hf       7.42507593       2.32770737       9.97846440      -2.43088498       1.79907216       3.14575181 
Hf       7.66258122       0.04492250       2.30009460      -2.03761957      -0.67751717       0.59461671 
Hf       2.38597585       2.47459808       4.71273655       4.55025812      -1.86096667       0.59011170 
Hf       4.63094142       2.79754116       7.74085720      -1.22918896      -0.48674095       0.67906874 
Hf       5.10855327      10.37779567       5.02538978       1.35514334       0.01497907      -1.27578544 
Hf       2.68835881       2.81106328       0.18564182       1.37673044       0.16810622      -2.69930640 
Hf       2.07632882      10.23156182       2.37691316       0.42887124       3.80055069       1.52945727 
Hf      10.30991650       2.82520228       2.41240541       1.57931271      -3.97176118       3.17117111 
Hf       2.65324764      10.43010982       7.69549920      -4.43772855       2.39720515       4.92224816 
Hf       7.71900650      10.29510128       7.39233127       0.89952577      -0.62475463      -1.70644232 
Hf       2.43595028       5.28348732       7.82078893      -1.49016209      -0.29593024      -0.66429706 
Hf       4.81964617       5.13282857       5.03349303       2.21680726       1.33884440       0.65829287 
Hf      10.29040479       4.95796485       5.35562184       1.03316770       1.71604084       0.13627405 
Hf       2.84643161       8.00570460       5.41585555      -2.52458837      -0.19181116       2.30782321 
Hf       5.22482636       5.27025386      10.45315775       0.62092756       1.02642528      -1.16174888 
Hf       4.95223272       7.60343589       2.41291752       3.77072169       1.01441189      -0.17046674 
Hf       5.69253384       7.56771956       7.97443735      -4.31489101      -1.47143144      -3.31748494 
Hf       8.16035443       7.76395181      10.15751743      -2.83628134      -3.80081163       1.48444041 
Hf       7.62485382       5.12499357       2.14498625       2.08088567       4.31520776       1.35192266 
Hf       2.31474551       5.22883220       2.91921974      -1.80518811      -0.76386406      -2.86345516 
Hf      10.10680545       7.73777752       2.96423193      -1.84596858       1.17779181      -3.21918690 
Hf      10.30654147       5.04835953      10.44025649      -3.03498177       2.33919704       0.46290850 
Hf       7.61664873       2.74138487       4.70545375      -1.31383708      -2.76309723      -2.99053062 
Hf      10.41278596       7.55911090       8.08063537       5.11047271       4.03304798      -3.29935634 
Hf       4.78900197      10.41326102       0.19603161       0.05902607      -0.87400592      -0.36825835 
Hf       2.55833626       7.37220802       0.05942949      -0.84507619       2.17512167       0.97734021 
O       0.79816549       8.92105281       1.65759458      -1.72018178      -0.39571860      -0.10237015 
O       1.38270915       6.05005044       1.24829007      -1.62671874       0.35508937       0.16607280 
O       1.02291542       1.77311359       5.80134506      -1.01865701      -0.86986750       5.46163223 
O       1.31835259       1.42052395       3.61885517      -2.15042565      -1.61346477      -1.51931649 
O       4.48016806       3.63610462       0.74268982      -0.87145834      -1.49286529       1.34330199 
O       0.69159331       0.99083997       9.06330019      -1.68625861       0.15129152      -1.09685097 
O       3.79866532       3.59155283       3.80096422       2.43791345       2.11565900      -1.54248072 
O       6.96167990       4.21771826       0.47352208      -0.01442061       0.07172688      -0.87962757 
O       3.84132681       0.82261590       3.43131834      -0.09141735       0.22927982       2.21852428 
O       1.24884875       3.96367449       4.20836420      -1.49584046       1.26876209      -0.51558115 
O       0.75219093       1.06697027       1.47458271      -1.41417974      -0.51495311      -3.34469194 
O       0.45078897       6.39828697       3.91557131       4.38121578      -2.66349054       1.92728336 
O       3.64087521       1.34265343       1.18635643      -0.72511157      -1.76375748      -1.10628364 
O       0.93838641       4.03644137       7.17045401      -1.71088423      -0.65953644      -1.31892451 
O       1.07254677       9.25450176       6.82136752       2.03915286       2.00289583       0.36746362 
O       6.15447109       1.19873606       3.81856858       2.00053131       1.57570123      -2.07216475 
O       6.44404353       9.07641392       8.73387508       1.24819189       3.92422992       2.31002177 
O       9.29985766       1.00818236       6.40815754       0.28991256      -1.98029736       1.93664478 
O       3.95539667       4.64404049       8.93796483      -0.39736389      -0.46154893       0.90471802 
O       3.19850725       9.53643669       9.38174511       1.79629218       1.05419527       0.24132307 
O       1.86361806       3.39399535       1.81155343      -2.08000452       1.60721136       1.64407319 
O       3.49641402       9.70091512       6.28163176       3.02343933      -2.91178250      -3.06857330 
O       0.97117482       8.58024979       9.85804198      -3.27144689       0.92534286      -1.07289694 
O       2.01676871       6.92733884       8.75761629      -0.64886775      -0.32654060       1.72073469 
O       1.62895340       9.41193559       4.08442628      -0.35605627      -1.91128158       2.36721796 
O       3.32432625       6.16259202       4.29016749      -0.94396069       2.30761774       0.14374539 
O       3.48515606       8.97633674       1.96131826       1.56855606      -2.25801449      -3.09306018 
O       4.33472368       8.52090644       4.31537816       1.27046553      -0.36271067      -1.04740342 
O       1.37180933       4.36352415       9.73321120       3.72391671      -2.51157094      -1.57971851 
O       9.32953133       3.90976006       1.28045050      -0.26569284       0.28718280      -3.49267738 
O       7.07256416       1.06707252       5.91528440      -1.21183121       0.33296818       1.93805656 
O       6.10225804       3.92914178       8.49327650       3.06629104      -1.06658369      -0.38275841 
O       4.36885845       1.34097078       6.23016819      -1.11097279       2.78173286       1.66279000 
O       3.54185251       4.34068784       6.43823447       0.86660839      -1.91835656      -1.21459246 
O       9.11952545       3.67521555       8.70908034      -1.92789282       0.81180698       0.36626475 
O       8.46484727       5.78015383       5.54587726       0.33048182      -1.62656565       4.62886571 
O       9.02918666       3.40754897       5.97861726      -0.59102669      -0.09733892       2.22562706 
O       8.35109538       1.34147410       8.72857165       0.47637223      -2.97287475      -3.43736488 
O       6.22357009       1.32853704       0.93519526       1.25445280       0.41454139       3.31934200 
O       8.65140718       1.21479572       0.73078734       0.90052948       1.39227849       0.91106323 
O       6.16549315       9.37541389       1.41329484      -3.28531381       0.30191930      -1.56754509 
O       9.39053619       8.44179902       6.31213089      -3.33811638      -0.78744334       0.07455860 
O       1.04896254       6.55172523       6.77560667      -0.67171769      -1.93197788      -4.37454708 
O       6.14700042       6.49803457       6.01086938       0.12604574      -0.51990472       0.64070606 
O       9.48103700       6.19835356       8.95677228      -0.66521954      -1.02589215       1.84618335 
O       5.99805917       3.76559307       5.95641217       2.87083730      -1.53596867      -0.27129683 
O       6.44184405       9.08899837       6.18728891       0.00911288      -0.38198863       1.19827413 
O       7.06462273       6.50485466       8.68365574       0.57051659      -1.71124631       0.92732984 
O       4.42261108       7.28989816       9.86900763       1.94811757      -0.98415609      -0.60813796 
O       6.50632652       6.80317527       1.08487490      -0.04654609      -0.65128241      -1.36237604 
O       9.21533336       6.44141002       1.09757354      -0.61175662       2.07029431      -0.55142871 
O       8.85975678       1.57158533       3.77771858       1.90917744      -1.55338975      -2.02025894 
O       9.33739898       9.20398434       4.07686581      -0.00242468       0.65223273      -1.78371615 
O       8.48976949       9.34612015       0.82373547       1.98253894      -1.30449493       0.35740485 
O       6.70860604       3.59989648       2.94072935      -0.95059528      -1.91549750       2.20381475 
O       6.06214989       6.08728803       3.29342553      -2.29807878      -0.89851108       1.81986175 
O       6.91221905       9.07468292       3.57104180      -0.15146910      -0.82184898       1.39834174 
O       8.96393492       8.77864697       8.69175721      -0.21159106       3.18415335       1.24302346 
O       8.56609394       6.55259236       3.56845361      -1.06197827       3.27456527      -2.24559033 
O       9.09257352       4.18478175       3.51945003       0.69904883      -1.18118093       2.03694394 
O       3.68253875       5.88666929       1.42765865       2.17155386       1.94666581       1.01208816 
O       2.97079842       1.93860231       8.73634301       0.19716633       0.74982543      -1.57969287 
O       5.22928067       1.49339989       9.46325336       1.97719546       0.46708265      -3.60822974 
O       3.83530414       6.98387882       7.07762415      -0.81020740       0.37267756      -1.83763501 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018072842534390326 0.0020505913813419195 -0.0016867308665698888 0.0020505913813419195 -0.00735839988984066 0.009986095279564823 -0.0016867308665698888 0.009986095279564823 -0.0048655342543368115" pbc="T T T" energy=-934.25315809 free_energy=-934.25326838 config_type=crystal 
Hf      10.01719447       0.04418139      10.26543934       2.99170740       2.94458776       2.78885504 
Hf       4.83583141       2.32795689       2.44650293       0.04675966       1.54463490       3.79904911 
Hf      10.11633670       2.06406641       7.62389155       1.44900742       2.63031567       0.84969534 
Hf       0.35946488      10.29996304       5.20330357      -4.25664435      -2.46619555       1.34458776 
Hf       7.45285270       5.08801544       7.59918075       0.23298666      -5.05329943       1.37029871 
Hf       7.20565791       7.46392197       5.09449276       0.36569688       2.25805273      -0.93303841 
Hf       7.30668667       2.41490432       9.90169368       2.85298783       0.05943629       3.80237732 
Hf       8.25063681      10.30544639       2.49083158       0.03791303       0.79242101       1.05040168 
Hf       2.73435587       2.19022368       4.99719541      -1.63994130       0.82014297      -0.14918788 
Hf       4.66490089       2.84628927       7.59110325       2.01797926       0.12896200       0.20148060 
Hf       5.59024359      10.32749072       5.00486232       1.07442179       0.09528437      -0.33611643 
Hf       2.89395558       3.16961164       0.07497672       1.15731635      -1.13268963       2.60632616 
Hf       2.50228924      10.21830899       2.60007986      -2.13987385      -0.24664413      -1.15859163 
Hf       0.02400747       2.35591221       2.65649676      -1.74309165      -0.28528644      -0.23533349 
Hf       2.94274650       0.20074266       7.71080256      -2.66873215      -0.33612257       0.82451987 
Hf       7.92991121      10.09730172       7.45596127       0.42990340       2.06500669      -0.01545382 
Hf       2.13510731       4.95869989       7.76615872       0.86113063       1.19850257       0.08478201 
Hf       4.80267522       5.06674938       5.03349020      -0.33848358      -0.74838449      -2.92372169 
Hf      10.23743891       5.05939039       5.57091837      -0.68836812      -4.64551026      -1.37186636 
Hf       2.70648846       7.86937502       5.43042262       4.05932420      -2.62502270       2.57452949 
Hf       5.28014379       5.46779574      10.25641392      -0.42987839      -4.74167425       4.27130896 
Hf       5.06419981       7.99475518       2.30736181       2.66462224      -3.95147367       2.31210193 
Hf       4.86227573       7.69495255       7.80797862       2.01567769       1.17981154       0.27170446 
Hf       7.66548664       7.61222069      10.08440056       2.76649149       3.00328074       1.54609704 
Hf       7.68236025       5.45416352       2.47911309      -1.69087101      -2.78700465      -0.34953405 
Hf       1.75008491       5.32795098       2.84230164       6.33762097      -2.11311996      -2.63673346 
Hf      10.11934438       7.71787363       2.45084996      -0.99956810      -1.07061173      -0.50281986 
Hf      10.26945428       4.84736736      10.20185058      -0.55286175       2.20578866       0.35585390 
Hf       7.54229622       2.60753243       4.54488445       0.87942779      -2.48265038       2.87310107 
Hf      10.44479505       7.86433157       7.78741285       0.02239645       2.05260952       1.80621913 
Hf       5.35812389      10.37884376      10.17447948       2.38452159       1.19327446       0.12201152 
Hf       2.44804910       7.75159113       0.21449891      -2.13924382      -0.62961524       0.13378598 
O       1.51274614       8.02002854       2.02415554       1.32701962       2.99660818       0.71797570 
O       1.12727065       5.98001482       0.97181922      -0.74510774      -1.10723495      -1.17731418 
O       1.69802582       1.53516181       6.67018399      -0.06616918      -1.46986341      -0.85248693 
O       1.26922058       1.07372453       4.11852799       2.32814125       1.39150333      -3.58239506 
O       4.34737606       4.19105185       1.23170585      -1.12935339      -1.56728740      -1.89820707 
O       0.94151612       0.51832191       8.76453414      -0.96746531       3.05994411      -0.04823147 
O       3.43557725       3.64588591       3.76620472       1.84736189      -0.16252927       1.37545465 
O       7.00982756       4.61862668       0.78073613      -0.17134951      -2.52116593      -1.04319997 
O       3.83685837       0.55709615       4.02525395      -0.82427525       2.07789880      -1.69275591 
O       0.87582198       3.48441463       4.63148817       0.10619603       1.20126059      -1.57573588 
O       0.21542349       0.43551658       1.78456759       2.39982864       1.79957032       0.21500630 
O       0.23975029       5.96789956       3.61515892      -2.66044578       0.85390457       2.56271932 
O       2.96510753       1.20826125       1.31663362       1.54920394       1.06715024       0.40010192 
O       0.60701930       3.93952321       7.18946168      -1.61525480       0.27831582      -1.01396177 
O       1.21275460       9.34623632       6.80719952       3.79946262      -1.51102312       1.45514616 
O       6.42240026       1.04773769       3.28182730      -1.70228615       1.27355379       0.92522613 
O       6.63029845       8.97814834       8.90204912      -1.46575325      -1.69593909       2.11634194 
O       9.50454869       0.77339755       6.44523866       0.10935801      -0.23119178      -0.00324961 
O       3.88112129       4.46494424       8.82065683       0.52339956      -0.11355326       1.49828223 
O       3.97412698       9.46919544       9.21718358      -2.27681767      -0.47439774      -2.22388576 
O       1.83331674       3.40872182       1.94736074      -0.95426495       0.18279031      -0.92543489 
O       4.25537617       9.15328774       6.54400359      -3.57033766      -1.63798841       2.09101260 
O       1.11163028       9.23505891      10.23701544       1.95794311      -3.18355252       0.28513577 
O       1.35062847       6.49969765       8.75373072       0.66436764       2.30864196       3.72297169 
O       1.76777771       8.93476918       4.40205954      -1.44777408       3.39592418      -3.49990462 
O       2.99404490       6.27560071       4.22912621       0.40772424      -0.60872436       1.94887498 
O       4.05955378       9.26672596       1.44298724      -3.78863573       3.05652175      -1.59740254 
O       4.56750348       8.64882747       4.35395731      -0.80598233      -2.27272279      -2.50181481 
O       1.55392027       3.99350284       9.44500230      -2.23321734      -0.53725636       1.36048384 
O       9.95779355       3.42217057       0.89819411      -0.16270222       0.07989994      -0.08063766 
O       7.23375913       0.79037341       5.69839135      -0.95149834      -0.09886431       1.70601496 
O       6.12628069       3.51016441       8.96080783      -1.95386266       2.80271049      -2.03083794 
O       4.47063513       1.01464565       6.45226138      -1.54884277       2.65492955       1.05292176 
O       3.05886815       3.49338751       6.48344919       2.78288277       1.83567553       0.31899825 
O       8.78580386       3.80962123       8.51489538      -0.24643954       1.27204208       2.06745314 
O       8.35443483       5.72147822       6.11822716       1.00220886       3.92470009      -1.96977751 
O       8.85460908       3.41253999       6.01437996       0.25925968      -0.44289314       0.24726479 
O       8.67949469       1.34319286       9.01861140       4.90301932      -0.31859972      -0.98919279 
O       5.83617762       1.92669806       0.99735853       0.94100873      -1.64926242      -5.70462666 
O       8.43319696       1.30966303       1.25929182      -0.24342367       0.50455505      -2.61021166 
O       6.50775725       9.70001063       1.06410473       0.60103535      -1.73171970       0.89936369 
O       9.44782053       8.94076265       6.31140799      -2.39359630      -3.11994142       0.80890345 
O       0.77964796       6.47916223       6.66150960       0.03665903      -0.55313469      -4.48798800 
O       5.86088486       6.44440534       6.20362853       0.20489569      -0.81103902       1.31095911 
O       9.08044330       6.72212575       8.93907958       0.25483836      -1.00234510      -0.92532771 
O       6.08847395       3.52575371       6.23243486      -0.97430773       2.20460681       0.34816202 
O       6.63692084       8.89241687       6.65754678      -0.66126586      -2.24147051      -3.04148560 
O       6.58241412       6.20671281       9.03789014       0.39843108       1.22166093      -3.07682729 
O       4.33294390       7.12432109       9.79987137      -0.93773571       0.81041443      -1.51668701 
O       6.63000896       6.81110436       1.11582848      -3.98567072       2.79958267       0.77120442 
O       8.89395006       6.32195813       1.22456016       2.94963336      -0.36368036      -1.22387197 
O       9.11145361       1.37397992       3.79648856       0.01558933      -1.23808924       0.33442391 
O       9.98596333       9.34110286       3.51291074      -1.25151913       0.24477140       1.74431196 
O       9.12870326       8.86379673       1.14223512      -1.57410149       0.46529363      -0.53576965 
O       6.13955665       3.71438604       3.66633561      -2.86410034       0.87598517      -0.61389864 
O       5.71223144       6.29465883       3.56066990       1.61860968      -0.23264681       1.58185113 
O       7.02724531       9.23099457       3.87746545      -0.38885486      -2.43701745       0.48276854 
O       9.12096079       9.35444193       9.17592079      -2.55411758      -4.45743076      -4.63221632 
O       8.48579778       6.93973427       3.70409682      -0.64664075      -0.09865896       0.14075505 
O       8.58788603       3.72545247       3.43377549       2.62459996       3.56487522      -3.04894102 
O       3.45274077       6.77088223       1.74694285       2.69349186      -0.07437816       0.01794415 
O       3.56094662       1.90565597       8.97874502      -0.10975745      -2.19090971       0.50131081 
O       6.62189640       0.92779775       8.59791935      -4.26595530       0.39704077       1.68931577 
O       3.61814849       6.16946026       6.98827274       0.43588819       2.53420326      -0.94701622 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016825351986811368 0.012982259502459967 -0.011392058049683908 0.012982259502459967 -0.016481169677045385 -0.002878024513737805 -0.011392058049683908 -0.002878024513737805 -0.00292920187392114" pbc="T T T" energy=-930.67754652 free_energy=-930.67807693 config_type=crystal 
Hf      10.01167429       0.23509901      10.25977556       4.32372173      -6.97136584       5.12804894 
Hf       4.83378883       2.47671916       2.44456009      -0.28113440      -0.12645684       0.74615195 
Hf      10.14848311       2.10269705       7.58344283       2.84065118       4.66623174       1.28138237 
Hf       0.34285429      10.11536659       5.18049280      -0.80451463       0.10912613      -0.14231773 
Hf       7.47801167       5.15333992       7.60395648       2.58621141       0.14272547      -0.18607245 
Hf       7.20811715       7.49291742       5.27207791       2.13846025      -6.74169158      -4.53324713 
Hf       7.40247773       2.29708296      10.05835542       1.05106620       4.53269312       1.13204504 
Hf       8.27382489      10.25640199       2.57791779      -0.68749256      -0.72733629       0.31474451 
Hf       2.66396126       2.27109570       5.17923905      -4.44002527       2.18350193      -4.74057006 
Hf       4.78713752       2.86233918       7.53912873       2.22174355      -0.20095817       3.29605891 
Hf       5.62419426      10.33058317       4.92481620      -1.98423356      -1.07935919      -1.72677183 
Hf       2.87334471       3.07044711       0.24376314      -5.01602326      -2.00398814      -3.84328277 
Hf       2.58750975      10.27459779       2.61921292      -2.57032613       1.93750187      -1.54995504 
Hf       0.00552343       2.33033334       2.67120261      -0.22535384       3.33356342      -1.09734499 
Hf       2.82155617       0.21270877       7.75613220      -0.79449143      -1.68226739       1.02173491 
Hf       8.05371787      10.08780804       7.51914164      -1.61900675      -1.75716807      -1.49991424 
Hf       2.12453310       5.04216752       7.67730905      -1.30444034       2.12290099       2.68168122 
Hf       4.77894332       4.94510461       4.98935801       0.93190509       3.38839206      -2.62957981 
Hf      10.20818043       4.89430670       5.37691532      -1.36009734       1.25484382      -0.42585831 
Hf       2.62080168       7.74075871       5.45333041       1.03798603      -0.06953188       0.13170760 
Hf       5.14364664       5.44501721      10.24332646       1.50067939      -1.82688422       2.10687559 
Hf       5.12072410       8.03898659       2.25971695      -1.99757577      -1.27902230       4.04072823 
Hf       4.65452993       7.73053428       7.93148124       4.48093685       0.16452496       1.78461318 
Hf       7.71548881       7.69140985      10.04663736       1.04898605      -0.93292551       1.49404410 
Hf       7.62287968       5.37179588       2.55502706      -1.54500177       0.75129587      -2.33617551 
Hf       1.84615500       5.32356701       2.72082119       1.57925297      -1.21574635       0.96965175 
Hf      10.14561517       7.63088256       2.26844283      -1.30176839      -1.17004161       2.20271756 
Hf      10.19535526       5.00602763      10.14979087      -1.12094273      -2.10338722      -0.70124816 
Hf       7.58915476       2.64410070       4.65978930       0.25493563       0.51422721      -1.18736554 
Hf       0.02793000       7.95736175       7.73949952      -0.13717176      -3.15935304       1.97193276 
Hf       5.45436353      10.31761073      10.06412324      -1.26659612      -2.70064725       0.47768464 
Hf       2.42672380       7.75396308       0.22007017       0.85977019      -2.60260551       0.48738565 
O       1.53496494       8.18280254       1.96277829      -1.28486212      -0.56758163       1.37650197 
O       1.14635692       5.59815300       0.88877463       2.54320334       3.62901520       1.65016989 
O       1.52029331       1.33691638       6.75523589      -0.18027247       2.64420021      -2.95033747 
O       1.68136018       1.00921652       3.97313342      -3.23264304       2.06689893       2.01045418 
O       3.92122735       4.03704475       1.34295444       4.33058355       2.37107793       1.38842263 
O       0.65671103       0.52402411       8.65476474       1.97004519       0.26252902       0.55956281 
O       3.67364060       3.63279845       4.01058421      -0.43737009      -1.80225935      -1.08291485 
O       6.81866629       4.41524957       0.65414828       0.02374167      -0.42405192       0.85341849 
O       4.07795786       0.90505575       3.54142559      -0.83760283      -1.36198891       2.66509401 
O       0.85386127       3.44834884       4.34642949       0.07780085       0.49610033       0.65428353 
O       0.39919772       0.55654751       1.87600062       0.44025824      -0.67441897      -1.97541765 
O       0.21354094       6.24755067       3.89532183       1.95412465      -0.49613895      -3.80032073 
O       3.14582333       1.48808714       1.48109876       0.48821874       0.74285648      -1.41687847 
O       0.37554599       4.19853748       7.13675787       2.09657372      -1.60407520      -0.67794394 
O       1.37359968       9.21419129       6.91048281       0.95275844      -0.06712453      -1.75575432 
O       6.18395134       1.20376371       3.22650203       4.94516792      -1.13371423       1.53308666 
O       6.63160673       8.96745492       9.00694630      -1.81271154       1.31914221      -0.71572774 
O       9.44959895       0.80752039       6.40542806      -0.12247494      -1.88388988       0.82682750 
O       3.65963881       4.65860610       9.23339823      -0.42530379      -1.62027617      -1.38284444 
O       3.71403008       9.38082722       9.00637987       1.67402629       1.14349270       2.64433971 
O       1.51854357       3.44581832       1.86068271       1.74542753       0.12812908       1.61595047 
O       3.95358643       9.07012290       6.76753828      -1.16445022       3.11842910      -2.57489745 
O       1.26276472       8.93599729      10.02925038      -3.90499842       3.85005820      -1.49764271 
O       1.42848119       6.77359078       8.86814732      -0.01144900      -2.08950885      -0.90678612 
O       2.02303252       9.21513963       4.14083816      -1.47198762      -2.24030941       3.83617062 
O       2.68914942       5.89298930       4.72913886       2.15127373      -0.50664577      -2.17103011 
O       3.66315043       9.33734141       1.35327914       3.77248030      -1.91110572      -2.30385177 
O       4.38323608       8.29659201       4.53107283       1.60089127       0.44927674      -1.86952578 
O       1.36202145       3.68517372       9.36499981       0.21588280       0.54831288      -0.73349129 
O       9.95892935       3.45847018       0.85942081      -1.78081903      -1.09468527      -0.08943977 
O       7.15109185       0.58463052       5.89707730      -1.69059725       2.74195304      -0.38623121 
O       6.01241869       3.80047158       8.89975859       1.01606631      -0.59934816      -1.79366991 
O       4.00084373       1.42128620       6.09881759       4.89183007      -3.51191779       4.05709979 
O       3.45258765       3.80300963       6.57361948      -1.53001150       1.27052986      -0.48825648 
O       9.06983351       4.10448266       8.73819061      -3.25183491      -1.63637248      -0.99029849 
O       8.70457799       6.14023591       6.26342120      -1.78668130      -1.26597111      -0.71885212 
O       8.72076376       3.39793797       6.11937928      -0.29745517      -0.39868323      -0.41509640 
O       9.26213339       1.56391131       9.29833315      -5.37720066       3.43626040      -3.49419843 
O       5.67584015       1.64029677       0.27589154      -0.02520212       1.37484122       3.84289293 
O       8.47005787       1.14831263       1.07230479      -1.33486352      -0.07686377       0.17132999 
O       6.63408638       9.06403073       1.11833346      -1.27474648       8.42713920      -1.31426321 
O       9.34944390       8.62268301       6.24372956       0.25225648       1.90102721       0.51451922 
O       0.90803244       6.41202543       6.21711569       0.70475650       1.74443143       2.56516052 
O       5.99397296       6.24773812       6.45084520       0.43590611       0.82655110      -1.60588164 
O       8.95751747       6.66690796       8.68487547       0.19257398      -0.93025596       1.21992426 
O       6.14062996       3.92850690       6.01237756       0.22697180      -3.33998305       2.03450392 
O       6.91312961       8.73645134       6.47571697      -2.24759022       5.57515263       5.39646766 
O       6.47378428       6.48853147       8.77057000      -1.49668711      -0.52139284       2.61724383 
O       4.00143758       7.00172045       9.68165292       1.73726732       0.70576815      -0.17259161 
O       6.46863617       7.20282471       1.36172348       3.08045686      -8.41009701      -4.41607139 
O       9.12302148       6.07874405       1.09756329      -1.04544029       2.20152758       0.52983755 
O       9.09638312       1.32462457       4.04106482      -0.52627930      -0.55275585      -1.91951173 
O       9.81401141       9.19007622       3.76364992      -0.79264219       0.28027970      -1.91781645 
O       9.12896733       8.98193407       1.07876599      -0.01394885       0.04535482       0.96345665 
O       6.10434846       3.80071167       3.51462500       1.30259221      -1.30795034       0.48660867 
O       5.88862291       6.09793184       3.28134502      -1.75769675       0.99432497       4.09768306 
O       6.81145079       9.08285367       3.90063552      -0.07398618       1.16689440      -1.42621462 
O       9.06348774       8.92169753       9.05299308       1.33121497       4.07650831      -1.02833096 
O       8.33081335       6.93300838       3.67917408       0.67875349      -0.29165428      -1.88032454 
O       8.82773586       3.93103543       3.18084470      -0.27141497      -1.79425085       2.68742583 
O       3.76563295       6.52482072       1.85513447      -1.02233650       0.82436562      -0.63749371 
O       3.83048121       1.81524266       9.06918900      -0.94107506      -1.09401280      -2.44914824 
O       6.57153681       0.97221495       8.71161148       1.61432769      -0.15550671      -1.75709543 
O       3.70289279       6.48198413       6.93894836      -3.31767834      -1.69206269      -0.71958437 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011713505337900386 0.011727275511371637 -0.008439440542609122 0.011727275511371637 -0.014317311395135795 -0.005518247598436059 -0.008439440542609122 -0.005518247598436059 -0.0038750034480593016" pbc="T T T" energy=-930.91204109 free_energy=-930.91217495 config_type=crystal 
Hf      10.02367357       0.25867067      10.27365143       3.09629975      -4.43815765       2.96255900 
Hf       4.83408073       2.50529838       2.44751417       0.82094059       0.47866469       0.44230028 
Hf      10.16103303       2.12218595       7.57972859       3.20847601       4.48561422      -0.27885455 
Hf       0.33392756      10.07756864       5.17471200      -0.67775250       0.48610185       0.38537054 
Hf       7.49098275       5.16039790       7.60311583       1.76589032       0.86604215       0.41250398 
Hf       7.21386854       7.48853481       5.29669765       1.74310965      -5.25349816      -2.89275898 
Hf       7.42678768       2.28475681      10.09568229      -0.10215781       4.28143378       0.38222124 
Hf       8.27853698      10.24453248       2.59713018      -1.57896720      -0.57025153       0.44917967 
Hf       2.64089093       2.28924084       5.20530062      -3.67329872       2.87996920      -4.26344569 
Hf       4.81716526       2.86611842       7.53695752       1.75657399      -0.75446590       2.51206284 
Hf       5.62739713      10.32791104       4.90440177      -2.04077302      -0.36019956      -1.09421601 
Hf       2.85992013       3.04390305       0.27301512      -4.18417377       1.75220502      -4.64511978 
Hf       2.59293961      10.28565931       2.62216888      -1.38243236       1.72844957      -1.60972602 
Hf      10.46585859       2.33077847       2.67168814      -0.10001446       3.77580581      -1.05934781 
Hf       2.79354349       0.21069266       7.76793629      -0.38321287      -0.93300361       0.90743547 
Hf       8.07611136      10.08377322       7.52839449      -2.37009162      -1.16196091      -1.78300178 
Hf       2.12064700       5.06573374       7.66573239      -1.11643693       1.62228313       2.28764706 
Hf       4.77688085       4.92708726       4.97252532       0.90030666       3.97473875      -2.19509554 
Hf      10.19997389       4.86001242       5.33588520      -0.72791254       2.16398247      -0.25767189 
Hf       2.60761469       7.71458882       5.45904265       1.39953671      -0.17465891       0.03912295 
Hf       5.12095414       5.43107100      10.24793891       2.52172634      -0.68853991       2.61573803 
Hf       5.13140098       8.04136211       2.26004726      -0.51608526      -1.83670470       2.89026095 
Hf       4.62605161       7.73710925       7.96182485       3.35579731       1.19484801      -0.35636327 
Hf       7.73111558       7.70762660      10.04678315      -0.49786317      -0.79258254       0.52867332 
Hf       7.60613502       5.35426479       2.56600799      -2.30332168       0.94236751      -2.23788463 
Hf       1.86974068       5.31956327       2.69792460       1.94124942      -1.30569515       1.65239509 
Hf      10.14431150       7.61119145       2.23747073      -0.65228533      -1.17079085       2.45878239 
Hf      10.17730671       5.03307742      10.13930436       0.21932770      -2.69581883      -1.32369722 
Hf       7.60285868       2.65137911       4.68200465      -1.26143882      -0.32665317      -1.86468682 
Hf       0.03678796       7.96834696       7.73601815       0.56592662      -2.68980788       1.34958171 
Hf       5.47475462      10.30088135      10.04507476      -3.20020734      -3.98924498       0.49318761 
Hf       2.42403147       7.74614106       0.22359529      -0.65774171      -0.53684814      -0.62776153 
O       1.55312484       8.22072043       1.98137998      -1.55959745      -0.48692631       0.96913182 
O       1.19642890       5.60602965       0.89692048       2.04172925       3.49686689       0.83737623 
O       1.49420233       1.37906157       6.66559508      -0.45417041       1.42404455      -1.34706641 
O       1.71597776       1.08079895       3.97544153      -3.15549355       0.30184559       0.49869061 
O       3.95896009       4.05547824       1.38934053       2.43478590       1.59301571      -0.04928350 
O       0.62330774       0.56175036       8.67254210       2.67518789       0.01745311      -0.28991032 
O       3.73898066       3.58428604       4.05800321      -1.13505111      -1.87481897      -1.70616731 
O       6.76576604       4.35867222       0.63743564       0.50493350      -0.72331631       0.89381885 
O       4.14352399       0.99558744       3.51283947      -2.70127870      -3.39008260       2.61666034 
O       0.87281839       3.43915910       4.28376741      -0.57832016       1.18176869       1.38871496 
O       0.46996263       0.58882925       1.84858106       0.31472404      -1.01069463      -2.02339608 
O       0.28005824       6.28608785       3.86325057       1.13024309      -0.80099737      -3.48365686 
O       3.22603984       1.64666148       1.43480560      -0.27745135      -3.44122975       0.65613791 
O       0.34662704       4.16392136       7.11585132       2.24131845      -0.23610105      -1.56388190 
O       1.52537560       9.18380142       6.90910263      -2.51713850      -0.57710041      -1.69745457 
O       6.21458538       1.23068299       3.25952645       5.51960332      -1.37716327       1.30140052 
O       6.54630584       9.00700658       9.02697515       0.45651298      -0.61898450      -1.16361223 
O       9.43669192       0.77222334       6.42391765       0.13916690      -1.74931803       0.64374432 
O       3.68679713       4.66272538       9.31228313      -2.59953824      -2.21575583      -2.21358389 
O       3.70362458       9.39840688       9.01899739       1.56741124       0.72219722       2.36557746 
O       1.49214635       3.45655005       1.88864735       1.81786329      -0.02585334       0.93679592 
O       3.81843796       9.15181044       6.77973705       1.18194062       1.11104830      -2.54603467 
O       1.19915545       8.96983095       9.94030778      -2.43475017       1.98614478       0.02060379 
O       1.45608517       6.81065013       8.92142091      -0.50897108      -2.63694297      -1.59655461 
O       2.03982491       9.23267638       4.16617610      -1.56012646      -1.18623871       2.66788345 
O       2.68710360       5.80307261       4.80656383       2.15683695      -0.46123935      -3.11730485 
O       3.66188915       9.30976905       1.24080014       2.62000304      -0.66648828      -0.18025828 
O       4.39256785       8.21637769       4.48304616       1.09014813       0.76182006      -1.45963301 
O       1.24153288       3.65102858       9.31682233       1.64767159       0.45044482      -0.36852122 
O       9.91309869       3.45234755       0.83325406      -1.52799084      -1.25549639       0.44140915 
O       7.07732796       0.61057299       5.94382772      -1.19404459       2.92590099      -0.76625633 
O       5.96483736       3.88178673       8.79834666       1.84659760      -0.33002141      -0.78406628 
O       3.97716793       1.47067547       6.12596336       4.91410927      -3.85680730       3.58368119 
O       3.52941364       3.89321739       6.56754259      -2.10070050       0.80091841       0.28664488 
O       9.05565767       4.13757396       8.79463346      -3.68485106      -1.56525482      -1.73081389 
O       8.69531729       6.27165673       6.28266969      -0.96059757      -3.06370465      -1.20584412 
O       8.67953143       3.35454845       6.12493537       0.59769430       0.56428683       0.18132103 
O       9.30592052       1.69785282       9.21868464      -5.31859327       0.04205584       0.64808764 
O       5.61043718       1.56137409       0.18381117       1.39881034       4.52668669       5.22189413 
O       8.43796327       1.14149338       0.99864482      -0.78456818      -0.72699924       0.85670158 
O       6.59836995       9.12578602       1.07913147      -0.98813146       5.86192689      -0.20117241 
O       9.26586146       8.56366013       6.24594118       1.81774182       2.59733668       0.55639348 
O       0.96858789       6.47422941       6.14459016      -0.89894713       0.74312699       3.34050828 
O       6.07317708       6.21383485       6.45339319      -0.61655372       1.44132798      -1.46466874 
O       8.95556259       6.62469003       8.64518743      -0.05528310      -0.49440461       1.86040999 
O       6.11581669       3.96125198       6.03849984       1.12000988      -4.06086736       1.44592755 
O       6.91666562       8.78282885       6.51164879      -2.56974758       3.83386356       3.66930305 
O       6.36922192       6.55039582       8.78284088       0.03845981      -0.99700403       2.23533922 
O       3.96674360       7.02425198       9.62590795       1.25821165      -0.00613756       1.04150286 
O       6.47446772       7.11980095       1.28863989       2.05791094      -5.78211723      -3.06857908 
O       9.20929353       6.07942582       1.03352521      -2.30068718       3.02369715       1.91615882 
O       9.08063316       1.28817267       4.04886789      -0.23823658      -0.34735178      -2.15152867 
O       9.74590889       9.16164165       3.78458640      -0.33327288       0.52320317      -2.10890614 
O       9.11916081       9.00301080       1.10161821       0.08150790       0.03671288       0.39025176 
O       6.06796659       3.79531415       3.47763745       2.74001136      -0.87309652       0.90384072 
O       5.87824494       6.07245952       3.36718440      -0.94877699       1.26381835       2.97892685 
O       6.75261055       9.04436286       3.89215769       0.50608652       1.39627871      -1.76788325 
O       9.05622577       8.87487447       8.93783547       0.80659825       4.23181338       0.43272451 
O       8.27837685       6.94245538       3.66488311       1.36513138      -0.78886427      -2.38253949 
O       8.88880415       3.94590361       3.17385809      -0.65403511      -1.40610447       2.86310818 
O       3.82417176       6.49783843       1.86674023      -1.37748368       1.22609587      -0.92447971 
O       3.88491194       1.72912771       9.01349625      -1.77562886      -0.13020165      -2.03082305 
O       6.53639120       0.96307230       8.71277857       2.96654671       0.48144249      -2.27873009 
O       3.59958627       6.50041008       6.89788653      -1.09083889      -0.39644847       0.85239619 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0065992111373592705 -0.00418796006188733 0.0018946072053431379 -0.00418796006188733 -0.00985431672452975 0.0023076524098534644 0.0018946072053431379 0.0023076524098534644 -0.009015501894408869" pbc="T T T" energy=-935.05509309 free_energy=-935.05510416 config_type=crystal 
Hf      10.10831248       0.32736118      10.35149913       0.61520269      -1.67357126      -1.16239324 
Hf       4.86820787       2.63109938       2.46782938       4.17041127      -3.26388940      -1.78379154 
Hf      10.24923976       2.25145472       7.55361793      -1.12026970       1.42309918       2.00764046 
Hf       0.27904993       9.91657368       5.15665477      -3.50563467       1.46164388       0.40710640 
Hf       7.56142488       5.19784126       7.60844595       0.04919757       0.22175678      -0.09995737 
Hf       7.25615931       7.44340602       5.38525081       1.16437987       2.17282138      -2.34148150 
Hf       7.51596515       2.28519628      10.25675072      -3.19556777       3.65394352       1.39521150 
Hf       8.26578873      10.19060193       2.68979247      -4.63426802       0.59900648      -1.37144076 
Hf       2.53203449       2.39907733       5.28331850       1.75342966      -0.54781670      -1.80757892 
Hf       4.96260012       2.86619231       7.54647286       0.43647050      -1.23807098       1.01449721 
Hf       5.62016823      10.32659534       4.81307611      -0.53331297       1.83603417       2.28251677 
Hf       2.75448175       2.98371340       0.33498517      -0.08232835       0.59965552      -2.06268343 
Hf       2.60402342      10.34844478       2.62476178      -0.85276326      -0.20459786      -0.70823730 
Hf      10.43822217       2.37118240       2.66224407      -0.46131159       0.49488852      -0.33314900 
Hf       2.66948291       0.20233342       7.83252562       0.96703670      -0.82677200      -0.93591700 
Hf       8.13161131      10.07435835       7.54327921      -5.97363368       2.67078314      -2.83976102 
Hf       2.09265012       5.18146113       7.63780501      -1.78379840      -1.46024971       2.27023335 
Hf       4.78163847       4.88211117       4.88346560       2.31451878      -0.52926471       1.86368626 
Hf      10.15868776       4.73562079       5.14766525      -2.55054209       4.12147443       0.72012650 
Hf       2.57074562       7.60190751       5.47210583       1.31750625       2.18068343      -2.15357228 
Hf       5.05768607       5.36145884      10.29799215       2.43281942      -1.17636411      -0.15609810 
Hf       5.18248996       8.02675642       2.28358365       0.17273682      -0.40428645      -0.26352538 
Hf       4.53627035       7.79645952       8.07466074       3.66839476       2.65857477      -0.90691066 
Hf       7.78406052       7.77282118      10.04523991      -0.96809529      -0.95342328      -0.09818792 
Hf       7.49711730       5.28049095       2.59032809      -1.85233178      -0.83532782      -2.54600314 
Hf       2.00772277       5.28811495       2.62634469       4.09205879       0.19665793       0.96136392 
Hf      10.13573507       7.52056305       2.13468186       0.61305121       4.39004151       4.24111602 
Hf      10.10381170       5.10995992      10.06884234      -1.12805317      -3.29231512      -1.51151607 
Hf       7.63066120       2.66477302       4.75387238      -2.80260754      -2.93201583       0.25690396 
Hf       0.08906506       7.99080031       7.73200374      -0.91903850      -1.66245284       2.42974797 
Hf       5.51041087      10.21476776       9.96921364      -1.50908890       4.24789998       0.34054632 
Hf       2.39520819       7.71773590       0.23026488      -1.61896208       3.02247589       0.51339468 
O       1.50655360       8.38355546       2.07222261       0.66177091       0.94271127      -1.31755947 
O       1.51481039       6.03307636       0.85762837      -2.06175811      -1.22410097       0.06557528 
O       1.23853777       1.53366964       6.36045731       0.81905530      -1.75242591       0.98119826 
O       1.51001728       1.25328590       3.85274145      -0.25054152      -0.40725722      -0.42892471 
O       4.17886511       4.22636522       1.45860438      -2.39359192      -1.81609215      -0.57382250 
O       0.78553101       0.80442742       8.68300056       0.67973008       1.13035179       0.43057501 
O       3.89670347       3.22816145       4.04186904      -0.30492484       1.53525659       0.34372200 
O       6.63364397       4.01489743       0.67418184       0.80834909       0.67697231       1.00005000 
O       4.11128098       0.83138888       3.66533200       0.81854980      -2.01268157       0.63349784 
O       0.86496895       3.58144824       4.24704308       1.95193462      -1.20252031      -0.50973118 
O       0.80721593       0.65651500       1.50297385      -0.42568545       1.10490651      -0.19800433 
O       0.62303415       6.30735726       3.42142517      -1.44143475      -1.09215765       2.07465348 
O       3.48018199       1.52300542       1.50074716      -2.60116971       0.05544286      -1.14175584 
O       0.49677881       4.10589821       6.77499754       2.13375292       0.21492041       0.77238516 
O       1.45447630       8.95366141       6.76098853      -0.88784211       2.09400572       0.04522195 
O       6.83809795       1.18982378       3.49422586      -2.57675772      -0.57125167      -0.98852392 
O       6.47043196       8.83988021       8.91139429       0.59854225       1.02646792       1.86962352 
O       9.49973864       0.52783349       6.53315945       1.06452546       2.30769597      -0.16293307 
O       3.40150401       4.38911411       9.38446946       0.50080918      -0.51740571       0.14892715 
O       3.76949832       9.47511481       9.18940126      -1.02911938      -1.41232459      -2.56948342 
O       1.59851863       3.47178883       1.97265221       0.38190634      -0.32504141      -1.98094519 
O       3.73551060       9.43121507       6.51763243       1.02768751      -2.56303343       0.07446299 
O       0.75119486       9.15390786       9.67028045       1.99985127      -2.48166302       1.06374306 
O       1.44396457       6.64842434       8.93152812      -1.75797605      -0.46143384      -0.62222602 
O       1.94360369       9.30169260       4.40849615       0.83449287      -0.52679556      -1.13578527 
O       2.87614012       5.42896195       4.69247325      -0.55082958       2.57359487      -1.74504612 
O       3.86749827       9.16848299       0.96513718      -0.08978005       0.12758966       3.28163309 
O       4.45276378       8.01484034       4.11282684      -2.30208451       1.75731769       0.63952593 
O       0.96744466       3.58105942       9.11563663       0.50179375       1.19551712       1.05099762 
O       9.58706955       3.31883893       0.82878740       0.80917413       0.86556450       1.12843913 
O       6.69035529       1.08468609       5.98865435       0.99128033       0.15829525      -1.42451569 
O       6.02069066       4.30656384       8.45182104      -1.91493987      -1.20908511       2.45148863 
O       4.14950323       1.36829447       6.40341625      -2.87990905       1.28484324      -2.83160728 
O       3.59834351       4.22747024       6.67719278       0.20206258      -2.80072480      -0.14716229 
O       8.60382679       4.19097764       8.87917095       1.43315926      -0.09510419       1.79139261 
O       8.65034968       6.30806027       6.19537792       0.89947395      -2.42108978      -1.07946757 
O       8.72576901       3.33154343       6.26798268       1.53156656       0.83720333      -0.38858413 
O       8.97532770       1.97513929       9.12016839       4.43631010      -4.20923377      -2.52632492 
O       5.57585863       1.80016829       0.38785477       0.54300991      -1.35446670      -0.17828051 
O       8.34048757       0.90377427       0.91654586       1.33534443       0.10330411       1.03886198 
O       6.42819016       9.67500479       1.08865509       0.73276735      -2.61182347       1.46807700 
O       9.22566874       8.66090704       6.28041297       0.81696849      -0.04830601      -0.59668257 
O       0.91958493       6.69531878       6.23021550      -0.72608434      -2.35698813      -0.27441341 
O       6.19258616       6.24424408       6.33586834      -3.22971518      -0.51088206       1.27237534 
O       8.94443598       6.49335806       8.76930055       0.36811601       1.67375510       1.16765042 
O       6.17095965       3.65034336       6.14617265       0.12624462       0.20073969      -2.51902435 
O       6.57236793       9.06495113       6.70335933      -0.14158137      -1.72902338      -4.01210665 
O       6.07354978       6.65624102       9.00898511       1.46795485      -1.06239254      -1.35753381 
O       3.85654560       6.99414009       9.68402948       0.64546957      -1.41737459      -0.02751647 
O       6.63906620       6.45093719       0.82445031      -0.02577064       2.20091129       2.78933371 
O       9.24356343       6.40749210       0.97784440      -1.68750992      -3.24488877      -3.18446533 
O       9.08974880       1.14985504       3.82996847       3.21119123       1.97449867       0.06677135 
O       9.51506524       9.09456085       3.67166960       2.79853082      -0.88123912       1.02278583 
O       9.08903542       9.06432619       1.14601509       0.22356019      -1.13182804      -1.50029721 
O       6.36075654       3.76516427       3.46679395       0.06459835       0.23345371       0.73092407 
O       5.88408916       6.14783217       3.91105609       2.20366767       0.60508034      -2.41576153 
O       6.64346493       9.00742073       3.63476557       1.29970533       0.27909812       0.46788406 
O       9.08962216       9.04380072       8.75600680      -0.10567553      -0.44793699       3.49380842 
O       8.24269265       6.86299578       3.34700766       1.32959657       0.21831927       0.71645983 
O       9.02000089       3.92825687       3.49658829      -1.14710498       0.43818858       0.52624286 
O       3.89773554       6.58360968       1.78679071      -1.08946067       0.12358246      -0.29261096 
O       3.85949676       1.44679882       8.66164187      -0.43252912       2.33547366       3.08353087 
O       6.77195125       1.01057399       8.54931400      -0.71169579      -0.24364947       2.04659289 
O       3.28723571       6.64726018       7.02588910       2.23636730       1.00141911       0.62085175 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.029243798574844368 0.008499039945546558 -0.0038348664749159227 0.008499039945546558 -0.027133571333910207 0.005739631230799196 -0.0038348664749159227 0.005739631230799196 -0.024750668793431442" pbc="T T T" energy=-928.20837614 free_energy=-928.21199543 config_type=crystal 
Hf      10.20950943       0.35276850      10.40237366      -1.04912412      -2.99098668      -3.19829228 
Hf       4.99490394       2.69945246       2.44666808       1.43654604      -2.59312335      -3.53148803 
Hf      10.33844391       2.41965053       7.55441357       2.18429875      -1.80856742       1.24859897 
Hf       0.15722221       9.79687039       5.13729010       0.25347081       5.61823031      -2.73208096 
Hf       7.63242527       5.24148562       7.62111445      -2.52037526      -0.65199999       2.29802918 
Hf       7.31662674       7.42286265       5.42989345      -1.56354356      -0.05162244      -3.17372066 
Hf       7.56475533       2.36110617      10.43257179       1.82866689       0.34374031       0.43278434 
Hf       8.17686925      10.14013956       2.76007007       1.95707386      -0.53849512      -3.34096559 
Hf       2.44568269       2.51017112       5.32986337      -0.79620468       0.43371622       0.27280217 
Hf       5.11605324       2.83191488       7.57123830      -2.69960060      -2.40460531      -1.12888758 
Hf       5.60187645      10.35455568       4.76769519       1.76025245      -1.52480744       3.38614166 
Hf       2.62781027       2.94780816       0.31772662       0.59878023      -6.30752530      -3.90934196 
Hf       2.58467100      10.39694327       2.61872195      -2.22225078      -2.12757443       0.67100012 
Hf      10.40937774       2.44066143       2.63775808       4.40048297       4.29851907      -3.36242238 
Hf       2.55979180       0.19393848       7.88348754       1.21897909       3.19626732      -2.82553258 
Hf       8.08538818      10.11616935       7.51046463      -0.27303445       2.32061921       0.93915182 
Hf       2.03538180       5.26782183       7.65306535       1.42903952      -2.95855071       2.14940498 
Hf       4.84062430       4.84615140       4.82615332       2.56547957       0.73206860       3.25804203 
Hf      10.08504643       4.69812395       4.98012399       5.83831033       3.69441116       2.54633323 
Hf       2.56802294       7.53974812       5.43857914       2.32167339       4.64273025      -3.09561087 
Hf       5.05470666       5.27333176      10.35547347       1.55514173      -0.15916407      -0.81532920 
Hf       5.24300092       7.99469301       2.30510226      -1.45474800      -0.52297254       1.64922591 
Hf       4.54088552       7.91355923       8.16151963       5.51431597      -3.83623989      -3.93581009 
Hf       7.82357106       7.81605591      10.05551029       0.76294570      -1.48185177       2.92118244 
Hf       7.35284314       5.20605921       2.55320123       3.55258913       2.47196706      -2.03847993 
Hf       2.23441763       5.25285705       2.57032823      -0.80982467       0.76615968      -3.08878462 
Hf      10.12928559       7.49323350       2.10035702       0.23924500      -0.47670928      -0.04898798 
Hf      10.01517408       5.11613299       9.96405339       0.50371492      -0.79931345       1.54130372 
Hf       7.61328343       2.61416936       4.82448375       1.46880710      -2.04476000       1.35574703 
Hf       0.11722154       7.96730055       7.79427491      -1.13539086      -1.01212395       2.40655353 
Hf       5.49804107      10.19897510       9.91984709      -0.21449484       3.74376506       4.04859575 
Hf       2.33997512       7.76374123       0.24028396       0.10973848       0.77551227       1.89403985 
O       1.50209626       8.69667182       1.89804704      -0.38480987      -0.63573136      -1.10842870 
O       1.30713743       6.15896109       0.84895032      -1.13372917      -0.11620185       0.22914201 
O       1.21477834       1.34391210       6.25576172       0.38102222      -0.44767177       1.14732013 
O       1.27482534       1.20820902       3.59880591       3.78536960      -1.48761681       0.92404387 
O       3.97417585       4.08152578       1.39851070       1.49705685       0.17528158       0.50699854 
O       1.19276499       1.20430680       8.80235522      -0.64466057      -1.17419486       0.96432620 
O       3.94575018       3.12111755       4.05432298       0.94206435       0.83770045      -0.30872343 
O       6.70196460       3.87198471       1.01121086      -0.41158357       1.03463045       1.23509197 
O       4.04006058       0.17239935       3.95356864      -2.21346283       2.66405870      -2.91457953 
O       1.18475636       3.58316406       4.12184755      -2.50745940       1.39454320      -1.39626622 
O       1.09160676       0.94583897       1.09152199      -0.53537695       1.34563106       0.99629625 
O       0.62953167       6.10848480       3.30940825      -0.59552168      -0.33955676       1.74329219 
O       3.44356390       1.20738617       1.48507277       2.16495191       4.13008603      -0.54570431 
O       1.13558270       4.06703125       6.46499979      -1.22518178      -2.54012932      -0.56648666 
O       1.15165407       9.11016731       6.57670544       3.33942001      -1.58492778       5.28102534 
O       7.07429486       1.04569657       3.59341916      -2.10585675       1.24866095      -0.38719990 
O       6.55083885       8.83708196       8.88131202      -2.21162565       2.49596512      -0.51111535 
O       9.62211793       0.64999812       6.66133628      -2.92845283      -0.43875222      -0.81623312 
O       3.12612960       4.01999154       9.33529077       2.43834771       3.42681224      -1.12883922 
O       3.69257447       9.33694715       9.00952056      -0.92087234       1.99613647       2.41327993 
O       1.72121233       3.48872168       1.79242686      -3.45783987       1.41477171       1.89912579 
O       4.03700424       9.12902615       6.21618964      -2.67185392      -1.43537135       2.82578303 
O       0.78115572       8.86991883       9.63467590       2.12660063       0.09568093      -0.85728419 
O       0.99916677       6.38100843       8.85471762      -0.65754614       1.22330895       1.02482742 
O       1.96832266       9.22205633       4.46839903      -1.56451321      -0.87283767      -0.54393802 
O       3.09400946       5.56816388       4.22084995       1.68866627       1.83957710       4.17401543 
O       4.06839353       9.09639787       1.26722342      -1.93611817       0.96460745      -2.72853330 
O       4.06697714       8.14701766       3.88595165       1.21510033      -1.43763842      -0.22655184 
O       0.79891153       3.77805559       9.10910939      -1.25173072      -0.42806180      -0.77459776 
O       9.36426770       3.30792917       1.04718842       0.07634749       0.27345444      -0.73300717 
O       6.43486017       1.44500575       5.82026188      -0.03896737      -4.50561797       2.80437441 
O       5.80836453       4.41144584       8.56351277       0.30441337      -2.70083496      -0.09499563 
O       3.82079411       1.44656762       6.23830839       0.73102832      -0.79082122       1.93469154 
O       3.66405335       4.02380406       6.72964069       0.76634423       0.63648382      -1.79682374 
O       8.30285226       4.16927451       9.23631297       0.32146994      -0.19384764      -1.67555905 
O       8.65151551       5.80171776       5.87911008      -2.94517301       2.79323489       1.79635524 
O       9.08379144       3.51581888       6.39955328      -1.65416913      -1.08662497      -0.12259142 
O       9.16945676       1.40663227       8.90440213      -0.06638146       1.41160352       1.60619202 
O       5.71387044       1.89110429       0.74132367       0.77991824      -3.01562078      -2.17040534 
O       8.51403841       0.74919760       1.04082487      -0.08166393       2.39922425      -0.84636206 
O       6.36616432       9.75998049       1.29556579       0.71983473      -1.36123393      -2.48430344 
O       9.25474342       8.75910386       6.26984441      -3.21709060      -2.45634597       1.14050338 
O       0.69430814       6.47118489       6.36028964       1.55700788       1.07555826      -0.66550879 
O       5.75530676       6.29362906       6.39443813       2.29909588       0.02825097      -0.02577855 
O       8.98861705       6.64384192       8.98766839      -0.68010300      -0.15450508      -6.06732191 
O       6.19163238       3.49601348       5.91216872      -0.69941165       4.78854148       2.09817322 
O       6.22585769       8.97631885       6.16936219       4.58924836      -0.54553197       1.33415025 
O       6.14247777       6.56812964       9.02695683       1.67955171       1.04876751      -0.47845427 
O       3.83552382       6.67750803       9.79489552      -0.98107205       1.88250009      -2.26379686 
O       6.71082320       6.18589774       0.91191624      -3.15990717       3.02636774       1.19133503 
O       9.01317724       6.35460734       0.66418264       1.34019668      -0.05000041       3.07220837 
O       9.54746325       1.24578038       3.58909055      -6.05457065      -4.89328522       4.04058958 
O       9.76246789       8.92069235       3.61878149      -1.29541009       0.65407515      -0.90484926 
O       9.10189012       8.87771489       0.96234082      -0.32253254       0.05613397       1.35105217 
O       6.59505802       3.74493363       3.61260894      -4.92576864      -0.56795456      -1.12798372 
O       6.25975049       6.31146084       4.00159814      -1.39696468      -1.48409134      -1.50875506 
O       6.78531700       8.98977220       3.51895853      -0.78612118      -1.61727318       2.54393559 
O       8.97974904       9.31448229       9.12864151      -0.58286247      -0.39781979      -3.21986313 
O       8.53187575       6.76043309       3.10922637      -0.53328674      -0.64424641       1.26359585 
O       8.86966000       3.92930485       3.84775850      -0.35016555      -1.02552231      -3.95651755 
O       3.71246926       6.67639976       1.66826654       0.29985557      -1.82795966       1.06236096 
O       3.71625362       1.61544531       8.84079003       1.93401819      -1.34874100       0.00251422 
O       6.87250914       1.02988036       8.70813493      -2.76061298      -0.12023349       0.94634114 
O       3.24337009       6.86274574       7.25503273      -1.96627748      -1.36589406      -1.34715262 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.026531026048036567 -0.008028923760962672 -0.0048292851484354905 -0.008028923760962672 -0.01103765299681497 0.011318500279292055 -0.0048292851484354905 0.011318500279292055 -0.021638099245693352" pbc="T T T" energy=-928.59955826 free_energy=-928.59999109 config_type=crystal 
Hf       0.22177072      10.23813983       0.05488915      -0.21932927       1.38301769      -2.14325617 
Hf       5.24250713       2.56077436       2.83733721       1.40903240      -2.57185183      -1.43636486 
Hf      10.42322400       2.29093009       7.69604418      -0.26351352       3.40218677       1.86129130 
Hf      10.26761150      10.27192001       5.01293710      -0.03558508       1.56756504      -0.00482843 
Hf       7.33980916       5.12540448       7.91566849       0.60223521      -1.11939888      -0.36668117 
Hf       7.92490323       8.00679633       4.80285346      -7.80518414      -6.07283638       3.71213253 
Hf       8.25611827       2.15635841      10.43730502       0.03243068       4.32997607       1.48054468 
Hf       7.74872527      10.29408135       2.33791202      -2.82880103      -1.12328413      -0.76085988 
Hf       2.42712183       2.55274281       5.03470732       0.78071060      -0.54394381       3.31259434 
Hf       4.95668368       2.35716868       7.66473873       1.48379016       1.10959855      -0.96203797 
Hf       4.72199485      10.34109542       5.13915507       5.39871539       1.13025127      -2.92521616 
Hf       2.31741303       2.58038750      10.08738228      -0.40741998       4.03390482       4.29831576 
Hf       2.17043283       0.09000639       2.85860442       3.82396278      -0.94095311      -3.35197900 
Hf       0.08439431       2.64355709       2.47100870      -0.99472364       2.79760571      -2.50387571 
Hf       2.42778067      10.07660031       7.33310336      -0.70244671       2.23569261       3.38285902 
Hf       7.40261934      10.10204469       8.01580480       0.91807263       2.90653065      -3.38338090 
Hf       2.24845846       5.24499578       7.79765695      -0.22141452      -1.81066976       2.16947957 
Hf       5.05064253       4.94262004       5.32365199       2.45351861       1.81512446      -1.24448457 
Hf      10.34685287       5.41912258       5.38885150       1.04987275      -2.69718732      -2.61656354 
Hf       2.24808659       7.77274520       4.97099223       3.53217545      -1.34299142      -0.97954040 
Hf       4.87070856       5.44852747      10.22464042      -2.08301050      -2.81700963       0.57079296 
Hf       5.09765146       7.67291136       2.30745517       0.15569195       0.63522960       1.82879002 
Hf       4.93632650       7.73541446       7.52629120       0.66498537      -0.99945184      -0.29474321 
Hf       7.77578197       7.83814210      10.07814858      -1.41279120      -3.19819064       3.74933943 
Hf       7.40852856       4.80412416       2.26949824       2.05375934       0.52912060      -0.39952951 
Hf       2.91522761       4.84481047       2.78392233      -3.58985150       3.19753415      -2.45964703 
Hf      10.30038431       7.52124995       2.52426648       0.98981009      -1.73590247      -0.89783864 
Hf      10.04379610       5.41718863      10.21834071       2.94037642      -3.66284798       1.84874066 
Hf       8.29889834       2.40982528       5.12685070      -4.82341192       1.82460165       0.70781889 
Hf      10.37592526       7.87904631       7.50110293      -2.40486454      -0.54170795       0.95427597 
Hf       4.94599968       0.23624265       0.00112805       1.51235294      -0.23883973       2.07484214 
Hf       2.55084948       7.91571757      10.37394202      -2.49349649      -3.75318749       0.94818307 
O       1.58605245       9.38001693       1.26739884       1.18185779      -1.18400435      -1.80226901 
O       0.92810431       6.67469471       1.25757704      -1.32240722       0.03597924      -2.90615251 
O       0.75133375       1.04699396       6.52846599       1.72251139      -2.04952618      -3.06502926 
O       0.98382709       1.32696585       3.84097148       2.37193192      -0.22324529       0.87971990 
O       4.02966880       4.07193100       1.42472215       1.91206140      -0.79713779      -0.62586141 
O       2.03436428       1.70193066       8.53357671      -3.84849722      -2.93223911      -3.58114577 
O       3.87105469       3.56396424       3.92434806       0.47156140      -0.15294292       0.43573056 
O       6.68081493       3.17449245       1.24377662       0.68040598       3.24799181       0.91616945 
O       3.70414141       1.10161517       3.98858739      -2.44799027       0.63057610      -1.34918742 
O       1.34584405       3.86252578       4.32221897      -1.13122480       2.53917809      -4.38096091 
O       1.05783453       1.34700088       0.92588820       1.65098081       1.32816457       2.02698248 
O       1.42507915       6.61401859       3.72379337      -0.80157095       0.07321861       0.55485115 
O       3.87948249       1.19140051       1.42743645      -1.32353728      -1.01207354       0.36122520 
O       1.18948520       3.64256216       6.44001770       1.27106076       0.87058635       3.67815055 
O       1.08616277       9.19028168       6.18446178       2.44453347      -3.63149265      -2.45461084 
O       6.07111618       1.61213390       4.60240323       0.73795381      -0.31575430      -1.70730964 
O       5.87965683       9.23940970       8.97503621       0.85262473      -0.16342915       0.56552124 
O       8.58797824       1.65588796       7.04896560       1.81410322       0.31112170      -1.79248481 
O       3.25719542       4.28287747       9.40898465      -1.03659187      -3.72513194      -0.20438031 
O       3.28774971       8.87543923       8.76460887       1.54461408       1.63175114      -1.83663427 
O       1.34918874       4.00432364       1.73035717       0.67969678      -1.02002954      -0.08049897 
O       3.82675032       8.94998442       6.27736427      -1.81354203      -0.23414922       0.02193361 
O       0.97311630       9.01813456       8.53692213       0.81110719       3.21054703       4.35379793 
O       1.04941636       6.29442731       9.08528968       0.08673884       2.76575601      -1.40761796 
O       0.75826918       9.16315172       3.47650668       2.58234294       0.53506305       2.27549178 
O       3.91048390       6.21481062       3.97226347       1.14295040       0.50566528       0.26286710 
O       4.16913081       8.54929443       0.61256575       3.94751243       4.73909007       0.41263393 
O       3.55509403       9.08959045       3.65502175      -1.75364426      -0.61856485       1.10937961 
O       0.56548167       3.98199212       9.05260719       0.96246638      -2.35279316      -1.02434814 
O       9.56704782       3.59127317       0.71544976      -0.27341770      -0.47149914       1.53733526 
O       6.36339350       1.12169426       7.06853688      -3.83854220       0.11115223       0.40481349 
O       5.73022011       4.22064911       8.68904102      -1.22968513      -0.73774653      -0.45013501 
O       3.57467577       1.10767395       6.43187175       0.24054692      -0.83127930       1.23421007 
O       3.94357394       3.59616424       6.23659287      -0.53143014      -0.56674039       2.87995226 
O       8.14444308       3.98246529       9.19987468       0.76993631      -1.44645512      -0.86340313 
O       9.14650690       6.52813829       6.54526885      -2.01096642       1.17419423      -1.26619909 
O       9.29306614       3.90923978       5.85009662      -0.37250299      -0.66583363       1.73371786 
O       9.84530964       1.17300774       9.42144581      -0.20498805       1.01961717      -2.31722215 
O       6.39434561       1.01238642       1.30286167       0.33273877      -2.70095991       0.72810453 
O       9.06269242       0.94178918       1.27373780       1.10837328      -0.49376334       1.84342739 
O       6.88854848       8.56385993       1.43545827       0.82946830       0.90974837      -1.55172419 
O       9.30129739       9.70123465       6.61093232      -2.26759234      -2.51366178      -0.93259531 
O       1.19664492       6.52893718       6.48050609       0.03579353       1.42136485      -0.68137802 
O       6.18528348       6.71722652       5.78970277      -0.97965556      -1.81426655       3.73204530 
O       8.79534569       6.27502256       9.09838383      -1.81172050       2.05375408      -3.48907885 
O       6.72849820       3.67987228       6.05325728      -0.89061091       2.04248307       3.05439986 
O       6.40973239       9.09150597       6.36183090       0.84370010      -0.01430885       0.12718785 
O       6.07583832       6.70467964       9.07207694       1.97267664       0.12276932      -0.71851473 
O       3.52951684       6.29750071       9.04173176       1.44375332       5.27794037      -0.09584669 
O       5.94170036       6.08825615       1.50230076      -0.51896137      -1.75871109      -2.62335617 
O       8.58953990       6.13715968       0.90806101      -1.22469092       1.88267960       2.99195300 
O       9.21500169       0.99907216       3.80419754      -3.17862972      -0.15242112       0.93677965 
O       9.09703799       8.82901462       3.68515509      -1.15652864       3.00032952      -1.89384134 
O       9.29050716       9.07385420       0.43295927      -1.69149200      -2.60825394       3.91026063 
O       6.46365582       3.94073404       3.77965839      -1.59082857       1.46903315      -1.23125172 
O       6.71691442       6.86413293       3.53436321       2.11588156       1.70061339       0.69584831 
O       5.99008832       9.76344261       3.37052866       0.97275510      -1.03543148       1.79397152 
O       8.85207323       8.64008286       8.77822675      -0.92849811       1.87312859      -3.38881076 
O       9.48351613       6.16744300       3.74433203      -1.59946824       1.25056281       0.40372536 
O       9.09091610       3.61302246       3.34659215      -1.27527583      -0.52427988       0.09886020 
O       3.31800153       6.72724864       1.43533791       1.14891555      -2.28918938       0.37190483 
O       3.94684348       1.64173274       9.44167896       5.32254263      -1.31893934      -1.17825567 
O       7.11156091       1.14406576       9.38603677      -3.06736043      -3.08381552      -1.89081913 
O       3.61539776       6.32683465       6.52032684       0.64449488       0.05437954       0.27795656 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.024390580016382675 -0.007457143347925204 -0.002553385517482643 -0.007457143347925204 -0.015364163445169153 0.0030289197064783434 -0.002553385517482643 0.0030289197064783434 -0.015316230783436984" pbc="T T T" energy=-932.74038026 free_energy=-932.74047825 config_type=crystal 
Hf      10.24712150      10.11233097      10.41920749      -0.03334604       4.54645094      -2.49221302 
Hf       5.45439241       2.47249406       2.79237975      -2.67935952      -2.34507934       1.21613888 
Hf       0.33577998       2.64114264       7.90526163      -0.62025698      -1.47933336      -1.59345048 
Hf      10.34653742       0.07069008       5.18679732       1.08046286       0.98101733      -2.40213756 
Hf       8.14210671       5.25089882       7.65898305      -4.92146504      -0.74730807      -2.47353772 
Hf       7.84544384       7.89492416       4.88925623      -4.19757689      -1.66896914       1.95913565 
Hf       7.35914442       2.25699218      10.39769924       1.94068192      -0.19177167       1.53222928 
Hf       7.24420859      10.01247139       2.43356022       2.90759974       5.71101298      -0.90271573 
Hf       2.74142223       2.62891906       5.31101332       0.77052950       0.26639470      -0.52913954 
Hf       5.53723165       2.35242634       7.73322546       0.28330755       1.59357672      -2.46613131 
Hf       4.66374730      10.05862482       5.26730218      -0.29411824      -1.54600176      -0.54366623 
Hf       2.43301545       2.78616681      10.36507767      -2.00887348      -0.06905113      -2.05047884 
Hf       2.35523170       0.04785429       2.50762637       1.44269867      -0.22738727      -0.76183104 
Hf      10.13573026       2.35667070       2.26455694       0.45895047       2.16166034      -2.48018399 
Hf       2.65678814       0.37048548       7.77087813       0.09808045      -0.85454510       5.19037609 
Hf       8.01417249      10.26491844       7.69562500       0.15595689       0.19954835       1.40887851 
Hf       2.47816224       5.45232754       7.42741408       0.86705481      -2.55417467       1.68776204 
Hf       4.93148421       5.40285109       5.21247206       1.21564697      -1.44440699       3.51216917 
Hf      10.23824679       5.30777006       4.82142699      -0.50261063      -3.31210569      -2.53794456 
Hf       2.18702741       7.88358289       5.43026678       1.11406211       1.84950400      -1.55438809 
Hf       5.10943944       5.05712215       0.07062424      -1.40391000       0.45815389       0.15904642 
Hf       5.13828962       7.98490313       1.94590940      -1.19397294      -1.69679647      -0.24219964 
Hf       5.46024134       7.61463211       8.22204975      -2.49527306      -0.25630443      -2.20714494 
Hf       7.70537019       7.35673855       0.02953509      -1.16828217      -0.25012055       0.05065330 
Hf       7.37319561       4.97637563       2.56737184       3.88108094       3.48955783      -0.29332233 
Hf       2.53243409       5.07063224       2.51701361      -1.97491804       1.80687066       3.32637252 
Hf      10.16879905       7.80919667       2.34506598       1.46158227      -4.98813354       0.34288975 
Hf       9.94786249       4.89076525      10.40296018       0.57119407      -0.04650016       1.70594929 
Hf       7.83511936       2.30451218       5.01983788       2.06119490       1.68307823       3.42329068 
Hf      10.34784109       7.55137115       7.87080606      -0.84476374       3.61173911      -0.25866881 
Hf       4.73215983       0.12228959      10.25820887      -0.39466517      -0.92544177      -0.91347902 
Hf       2.19419916       7.64386012       0.06034288       0.21664824      -1.01784437      -1.66595526 
O       1.46732670       8.58150029       1.68127184      -0.02144833       1.97853509      -0.85880190 
O       0.75989228       6.07349975       0.98057702       2.67438229       1.44956258       0.05981010 
O       4.28412912       1.35839303       6.28384578      -1.60148421       0.12187330       1.02667511 
O       1.54923790       0.81758511       4.11626582      -1.11325065       0.99046766       0.35967014 
O       3.41442401       4.02492750       1.17664715       1.33623840      -0.80703968      -1.94816349 
O       1.26979863       1.40411399       9.14596653      -0.07186113      -0.10410887      -0.19340067 
O       4.12335824       3.71327651       3.92288969      -0.71404885       0.33619141      -0.56859047 
O       5.99860195       3.51146840       1.09889846      -0.07330757      -0.05217351       1.79296758 
O       3.99751579       1.07269978       3.91493350       0.70173144       0.93683919      -2.41634281 
O       1.27589478       3.67453535       2.97294745       3.25407578      -1.55747025       1.15682494 
O       1.04027267       1.15779773       1.30386883      -0.80933390      -3.07363888       1.27524796 
O       3.89159597       6.64169960       1.58993018      -3.63407566      -3.86254099       1.31845580 
O       3.16720870       1.24671961       0.75234008       4.41674231      -2.33795713       1.47771856 
O       9.26183249       1.21522535       3.45667009      -1.37629813      -1.53193173       5.09351004 
O       0.46909822       9.18830315       6.38802256       1.04982530      -3.30019134       1.79916815 
O       6.80670029       0.98848131       4.19552541      -3.29626145      -2.36854597      -2.45403161 
O       7.26609069       8.59829373       8.58286561      -2.12999063      -0.64277837       1.54823141 
O       1.40250586       1.07892947       6.56633615      -0.89492310       3.61697367      -1.99621732 
O       3.85716792       5.50969529       9.20657682      -2.32944800      -2.02717893      -1.82657617 
O       1.39740265       9.36516539       9.34806718       1.73331702      -2.51815637       1.32977364 
O       0.63835374       3.32227676       0.46905960       0.04441935       1.78385648      -1.23400750 
O       3.10502440       9.41820924       6.66650878       0.44470365      -3.17576688      -6.73012398 
O       9.56128178       9.29598025       8.66207695       0.41101715      -1.96763557      -0.75566444 
O       1.04905444       6.32220450       8.91958639       0.79542853       0.38785698      -0.41658982 
O       0.32152219       8.74510060       3.81968040       1.19477226       1.88769411       3.29640416 
O       3.24266917       6.30122773       4.68101915      -1.19927263      -0.02367225      -0.27089991 
O       4.00147443       9.48829939       1.43123788      -0.31351741       1.29539466      -0.14420719 
O       3.35304613       9.09730330       3.95498022      -0.57791862      -1.18535090       1.69481368 
O       2.12834332       3.63510530       8.41163261      -1.53168645      -0.51114738       1.82754284 
O       8.66629399       3.45364589       0.79586126       0.01910576      -0.08834747       0.29106863 
O       7.03027172       1.34570129       6.82112658      -0.66575651       1.13178318      -1.10092281 
O       6.32686468       3.66332563       9.16139360       0.06106643      -1.04675321      -0.83657575 
O       3.78429261       4.07388755       6.57819739      -1.75094849      -0.55985001      -0.77908587 
O       1.16086998       3.91876287       6.22577909       0.07781104      -0.38402325      -1.72578439 
O       9.29595607       3.91606971       8.62409218       1.18690218      -0.05535812       0.24616407 
O       8.89612211       4.31464731       6.03180325      -0.69864766       0.33428570       0.58280502 
O       6.02745517       3.76553059       5.99355264       2.44751005      -3.28350170       0.25982150 
O       6.53018590       0.96633797       9.14936030      -2.02171687      -1.50972459      -0.16067936 
O       6.32235595       1.08606282       1.41360663      -1.75282933       0.58240319      -0.56921096 
O       9.11658864       1.07275190       8.88782744      -0.17750304       1.56381556       0.89965830 
O       6.51345086       8.98800645       0.76549347       0.30318974      -0.24942478       0.23714133 
O       8.26177274       9.54907275       5.68188385       2.12979411       1.77894035       1.21356090 
O       0.67671540       6.56280318       6.14963801       2.04470001       0.77177606       1.73944576 
O       8.83894547       6.44032666       9.24190453       2.82335026      -1.20547170      -1.41301290 
O       8.82137597       5.76158522       1.34705646      -0.22920939       3.09755146      -0.64903042 
O       8.66887788       7.01600963       6.89573730       0.57251943       0.16491615      -2.28639604 
O       5.89349817       8.42617341       6.28854426      -0.21089945       2.55808011      -2.10568184 
O       6.28257466       6.14647387       9.47135200       2.61817591       2.98569396      -3.09639653 
O       3.66209606       7.01293320       7.12246115      -1.82056986      -0.07632989      -1.02683218 
O       6.50285038       6.17677927       1.22252877      -1.62847624       2.18705724       1.13072621 
O       8.50023224       6.16368993       3.93204082       1.03227970       1.67151275       1.24194954 
O       8.92288366       0.84753979       1.25483280      -1.04635109      -1.59439229      -2.87693023 
O       8.47728415       8.77006301       3.19286984       1.05383382      -1.69849084      -0.54887712 
O       9.29317353       8.50507474       0.62632650       0.17088814       0.02081246       0.79525668 
O       7.00980339       3.36574153       3.45425659      -0.28306415      -1.66582798       1.48666861 
O       5.86113145       6.13244654       3.69582737       1.81605450       0.27409066      -1.58974770 
O       6.00204449       8.96704883       3.41000560      -0.81057361      -0.31370533       3.29322941 
O       9.51118133       1.57832546       6.10586585      -1.02316654       1.00334479       0.95506942 
O       1.02498668       6.20157778       3.51890379      -0.97043106       1.51450536      -0.04335970 
O       9.61958699       4.07320463       3.17812192      -2.92091533       0.40074350       1.89118577 
O       4.03806698       7.67179985      10.04803167       1.55435075       1.34983092      -0.89294990 
O       4.15658665       9.55053247       8.56757658       3.07541751       0.71224658       2.74632680 
O       3.92952296       1.47533847       8.86733326       1.35297724       2.97862333       1.07677802 
O       6.08997052       6.05671364       6.79898523       1.43094020       0.21268583       1.08274418 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02349733432085792 -0.00745956516581321 0.013256589257553096 -0.00745956516581321 -0.024995914682616745 0.004162128927252913 0.013256589257553096 0.004162128927252913 -0.003625431069578119" pbc="T T T" energy=-930.43523889 free_energy=-930.43539974 config_type=crystal 
Hf      10.36303278      10.11542730      10.39278264      -0.33214126       0.72044232      -1.89848435 
Hf       5.30991615       2.41275446       2.77675330       1.39408452      -0.26987630       0.06956281 
Hf       0.48187965       2.64086801       7.82103216      -3.61329171      -2.64755460      -0.54223341 
Hf      10.24222332       0.17328458       5.21058333       4.03960816      -0.59128627       0.16156620 
Hf       7.97151948       5.28694190       7.65951661      -0.82317312      -0.88282609      -2.71996749 
Hf       7.81036627       7.84643081       4.91699292      -3.71158912       1.76179937       0.35072573 
Hf       7.42695817       2.31211305       0.05680122      -0.17646783      -3.03929625      -0.90524133 
Hf       7.40228934      10.03627781       2.28554198      -1.62423971       0.10997367       0.81315053 
Hf       2.62307526       2.53840150       5.08652097       0.47648498       2.74090169      -1.34689620 
Hf       5.73737554       2.30031523       7.67386954      -4.11459966       1.21080328      -2.12824388 
Hf       4.59300950      10.08471360       5.33524980       3.53248459       0.77468331      -2.80146879 
Hf       2.49205225       2.70105797       0.07913452       0.61339527       0.42490824      -2.76785955 
Hf       2.47667154       0.17600161       2.34089688      -1.11704611      -1.77436592       3.54515937 
Hf      10.14359247       2.51133308       2.26036250       3.10918889       0.44144990       2.90220694 
Hf       2.61460789       0.20740900       7.86078342       1.33974245      -0.15892543       0.51214181 
Hf       8.08604975      10.18658395       7.72434436      -1.99692398       1.52756674       3.34505918 
Hf       2.45779135       5.47388676       7.30621758      -0.92250787      -3.04135578       2.02156261 
Hf       4.89805245       5.27251854       5.26276132      -0.30061661      -2.73072030       0.15621871 
Hf      10.15305287       5.34575964       4.81905346       1.38387979      -1.81856592       1.10253284 
Hf       2.13116302       8.01503093       5.43539480      -1.93087517      -1.99078693      -2.67849349 
Hf       5.07529032       4.97636056       0.00869124      -1.34743973       0.96595034      -4.63058877 
Hf       5.05023539       7.85686153       1.95269662      -1.21407835       2.41047808       2.12338012 
Hf       5.42988821       7.70652042       8.22312023      -2.40070982       1.37634121      -0.99591967 
Hf       7.62261112       7.22788927      10.37825807       0.80847066       2.78626075       2.53492275 
Hf       7.34401657       4.83006747       2.60659246       3.05876882       3.75738553      -0.88249882 
Hf       2.41438300       5.23219101       2.70264988      -4.21455496      -5.30820837       4.12784521 
Hf      10.07593005       7.80556511       2.29417461       2.60954875      -0.39623426       2.14476050 
Hf       9.94091021       4.96751128      10.23279401       3.70959567      -0.09193976       3.55279830 
Hf       8.01348025       2.33248404       5.11319995      -3.80634104       1.16484704       2.89246365 
Hf      10.34224042       7.64149644       7.89210855       2.41160545      -1.66358687      -1.15671135 
Hf       4.79889640       0.29123887      10.30652734       0.05309592      -1.13371187       1.67816520 
Hf       2.30366986       7.46098421       0.21681141       3.62737929       4.97069998      -3.29329186 
O       1.47388692       8.97998285       1.42613655      -2.88129766      -1.80591750      -0.32098444 
O       1.03617787       6.34122860       0.78548758      -3.95938434      -3.52175424       2.12088812 
O       4.02972333       1.52481764       6.19194699       0.85413086      -3.43695829       1.64750783 
O       1.49487887       1.38513082       3.98029356      -1.24910294      -4.27942831      -0.74440249 
O       3.80357501       3.95963872       1.06977689      -2.78377119      -0.59994905       0.74819451 
O       1.34435335       1.16721658       9.06939780      -0.75975563      -1.05036225       1.10145803 
O       4.14055714       3.81583104       3.78317639       1.43172152       1.13969532       0.49856280 
O       6.10143969       3.40779210       1.13848581       1.55274327       3.17589133      -0.33139071 
O       4.00116620       1.38495886       3.48079981      -3.98405462      -4.49714906       2.79726916 
O       1.52744560       3.44708944       3.17074105      -2.09005564       0.55329366      -2.52183012 
O       0.73985024       0.82623030       1.41510246       0.09401256       2.43870140      -0.24947385 
O       3.40741040       6.51395178       2.06368837       5.13194179       6.86825434      -4.90495360 
O       3.57218188       1.24238891       1.15937834      -1.75800989       2.80996386      -1.63290129 
O       9.27834554       1.31622607       3.98321896      -0.20870631       0.01857026      -4.68142841 
O       0.63954092       8.83143472       6.48781391       0.00085199       3.73821614       0.51771510 
O       6.47088567       0.68258317       4.25660835       1.15428262       2.75705191      -1.70264420 
O       7.13181385       8.53096508       8.98278581      -0.47454570       2.25852271      -2.01642922 
O       1.44291848       1.46170970       6.40326564       0.71707233      -2.25125597       1.91495451 
O       3.61792430       5.19577303       9.05262666       2.09211037      -0.02840475       2.49856269 
O       1.48704408       9.04020474       9.31079107       0.57136454      -0.30886559      -0.37772503 
O       0.80544610       3.66901024       0.46537896       0.08625824      -1.46721394       1.49468212 
O       3.31059878       9.02682182       6.47146392      -0.72943848       5.15122166       4.13247927 
O       9.39894055       8.93743294       8.90531060       0.04486972       2.55666582       0.01103241 
O       1.10857394       6.29481059       8.80643494       0.10222450       0.15641845       0.18445826 
O       0.43984540       9.19767102       3.88587975       0.43797392      -0.27080284       0.27808155 
O       3.07923380       5.88957010       4.49656420       1.24216268       2.01424503       2.38764700 
O       3.78296068       9.35682362       1.31900411       0.97427175      -0.21990208       0.38990853 
O       3.38939640       8.90518417       4.24319456       0.26789311       1.15188749      -3.99176564 
O       1.95908571       3.44226264       8.58785401       0.40093055       2.04661685       0.68941953 
O       8.82169184       3.43587355       1.14185844      -1.20948473       0.01239404      -2.59273797 
O       6.99955049       1.13644041       6.78778619       1.15602182      -0.17400486      -0.07635292 
O       6.26731096       3.72093066       9.09349884       1.69474663      -0.29557914       0.21751704 
O       3.51189092       3.89492568       6.62585932       2.69105973       1.84118386      -1.37958188 
O       1.34868636       4.21220623       5.57608334      -1.70487371      -1.19078091       1.03935446 
O       9.58559727       4.02141159       8.53234379      -1.29522488      -0.57538607       0.09739661 
O       8.69992356       4.21878853       6.03630340       0.43512410       1.55859210       0.00699691 
O       6.22474723       3.24577951       5.95880265      -0.30818260       1.55178621      -0.19840192 
O       6.32175561       1.08548519       9.20530978       2.65722931       0.52241894       0.42304709 
O       6.11318203       1.03354112       1.16266630       1.77087556       0.89877646       2.76223405 
O       9.30249096       1.25056584       8.92715952      -0.77128153      -1.16866114       0.36535028 
O       6.33507280       8.97789725       0.81417679       1.20044299      -0.38529258       1.72009335 
O       8.56408642       9.61932303       5.97229631       1.04708281      -0.84698956      -1.80126912 
O       0.86468929       6.54332841       6.25127664      -0.09230335      -1.24917009      -0.26866745 
O       9.06527914       6.24557319       9.10311288      -1.78207058       3.31974561      -0.36771757 
O       8.91788511       5.96296600       1.40048526      -1.32636471       0.63223873      -1.40863508 
O       8.72105001       7.08493061       6.57779204      -0.04143144      -1.51327183       1.42440569 
O       5.84146399       9.13171010       6.52045401       1.63887853      -2.24710695       0.54738352 
O       6.62660964       6.26327404       9.03958996      -1.33354890      -2.30011533       1.29515163 
O       3.65365131       7.00864719       7.29056601       0.33556134      -1.08062781      -1.80322965 
O       6.09626332       6.34843406       1.20899242       2.34668344      -2.30933904      -1.12033993 
O       8.69688491       6.43338496       4.01624098       0.55477936      -0.40167517      -0.68800575 
O       8.59909962       0.52645635       0.88165835       0.00544788       2.31092642       0.90505670 
O       8.58730526       8.68248510       3.30947942      -1.02986140       1.94444491      -0.33408554 
O       8.97119512       8.62891971       0.85491752       1.22609848      -0.10925009      -0.76878352 
O       7.10469404       3.15302878       3.39095523      -1.84753931      -1.64822490       1.01785446 
O       6.24401540       6.23823680       3.64104215      -1.38627885      -1.19501026       2.26124515 
O       6.00580050       9.01914444       3.66296800      -0.08994064      -2.57071140      -1.87562191 
O       9.46702758       1.77022889       6.37507661       0.34294560      -1.14574255       0.13793155 
O       0.81805232       6.53091979       3.30431184       0.15484042      -1.98126018       1.38373839 
O       9.13111028       4.12090402       3.45795576       2.71225187      -1.00113477       0.13218721 
O       4.40311579       7.57539893      10.19973432       0.26417960      -1.64731877      -1.00321384 
O       4.67907924       9.86128169       8.68041938      -2.90153621      -2.50502885      -2.84093385 
O       3.75961834       1.78703782       9.09494213       1.04447489      -1.17365071      -0.13359473 
O       6.18471014       5.77339267       6.86216958      -1.01052973       1.38937463      -2.46162613 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03763919836121978 0.009485165981520731 0.0020433030712714794 0.009485165981520731 -0.02981391119422831 0.013609077124788364 0.0020433030712714794 0.013609077124788364 -0.015746599739673347" pbc="T T T" energy=-925.91008459 free_energy=-925.92130645 config_type=crystal 
Hf      10.08901123      10.21639106      10.43679835       3.15336155       5.98579624      -2.15862559 
Hf       5.34708540       2.78021468       2.35621395      -0.95022001      -1.39998573      -0.04378669 
Hf      10.26202642       2.47748372       7.76206978      -1.55269890      -1.35709328      -1.18101261 
Hf      10.03024446      10.18832543       5.13369235       1.90346696       0.47105789       0.97310607 
Hf       8.14325873       5.56915503       8.00426948      -5.05037964      -2.56562605      -4.71979364 
Hf       7.65613561       7.78316012       4.75839493      -0.86370065       1.20024343       2.80642551 
Hf       7.49717654       2.61313456      10.42084744       4.01522325       1.83573735      -1.78536829 
Hf       7.51875805       0.02587967       2.64546309       0.28297895      -2.44401765       0.28543513 
Hf       2.70965271       2.58650824       5.11515524      -2.79913130      -1.77283553      -0.06706193 
Hf       4.90899151       2.62577187       7.97340926       3.38237797      -2.37291901      -3.29838157 
Hf       4.80605654       0.17618163       4.63214220       2.61290829       2.18756059       3.74910573 
Hf       2.38836005       2.19733526      10.11163162      -1.12375156      -0.03723626       3.52108834 
Hf       2.28134347      10.33217675       2.57741478       2.16875985       1.30907166      -1.41483314 
Hf      10.28075914       2.23995027       2.44365937       0.86594815      -2.54238930       0.86673486 
Hf       2.15654575      10.26776053       7.70597765       1.35316032      -3.58423208      -2.20464752 
Hf       7.70084450       9.97245785       7.72026087       1.74720675       2.43989459      -4.93283953 
Hf       2.16127260       4.86672742       7.89035985       1.85385537       1.53612310      -1.48926721 
Hf       5.24403268       5.32672372       5.12362847       2.56648488      -1.27268067      -0.25468120 
Hf      10.46406123       4.74228263       4.90734633      -1.00266875       3.46121700       1.50761831 
Hf       2.49495317       7.61733563       5.10539760       0.98377423       2.38017067       0.69310115 
Hf       5.11986210       5.51049596      10.23880056       2.24233626      -0.57405353      -3.33223955 
Hf       4.89386618       7.67502459       2.35057026      -2.17021374       4.13012323      -3.41343981 
Hf       5.16795680       7.75344553       7.88166244      -3.74046654       0.09431146      -3.05393926 
Hf       8.13859823       7.93810341      10.29302939      -5.36123686      -2.06975809      -0.59626800 
Hf       7.64035374       5.64063698       2.23760166      -1.48087766       0.11759029       1.03988980 
Hf       2.48964523       4.98713028       2.20163969       1.60242048      -0.14546213      -0.92521094 
Hf      10.40455565       7.63976574       2.54988523      -0.55153537       1.23662947       0.72584663 
Hf      10.24054444       4.85665392       0.60229590       3.96501318       0.29467644      -7.76438183 
Hf       7.55543528       2.59259883       5.23845723       2.18012300      -1.57145687       0.85341944 
Hf       0.06518025       7.48696550       7.73543948       2.45070986       3.31746789      -1.15733682 
Hf       5.06182953      10.39567477      10.16686867       0.69907018      -2.27319351       2.51041293 
Hf       2.23145685       7.61024112       0.12539711       0.14395439      -0.29148903      -4.63625347 
O       1.55611922       8.45117485       1.57697815      -1.90155994       5.03531701       2.75790168 
O       1.24958861       6.23358080       1.35804701      -2.53365511      -0.72559340      -1.26043955 
O       3.79298060       1.33944481       6.34359731      -0.55476165       1.11845774      -2.20751148 
O       0.99113553       1.62542200       3.83401041       0.93983085       1.80242701       1.18931040 
O       3.48950445       4.21669948       0.23312163       1.96451149      -0.20456791      -0.53875124 
O       1.12428370       0.56767005       9.23529178       1.28791093       2.52281626      -0.20664190 
O       4.14188321       4.29467999       2.87975986       3.60219459      -0.73979077       0.94555031 
O       6.81555040       4.34855811       1.01098458      -3.41151684      -3.06321159      -0.74971977 
O       3.41574903       1.59419609       3.44264455       2.56816881       0.13035637       1.28163526 
O       1.84331049       4.65843686       3.97264758      -2.66322147      -1.82293801       0.69441218 
O       1.37714103       1.13416516       1.18113788      -0.78022802      -1.74761413       0.46772680 
O       3.12405363       7.08000511       2.91597082       0.40926921      -1.62282145       0.58629379 
O       4.19303195       1.34219951       0.98619706       0.46113401       2.48985387      -0.95341660 
O       8.69205256       1.00247807       4.25239079      -0.70785515      -0.46706951      -0.63977183 
O       1.19628676       8.91406851       6.25999770      -3.53824247       0.54347959      -0.23077198 
O       6.23142717       1.36202930       3.56312946      -2.17245367       3.05674900       1.45402374 
O       7.44493754       9.48675825       9.49971603      -3.97475793       4.33226694       1.30338932 
O       0.96688095       0.92819578       6.53633594      -0.36595818       1.69716151      -0.01284352 
O       3.02834348       2.90753182       8.35314288       0.60759598       2.08782602      -1.58335962 
O       1.63353561       8.72172162       9.07478747      -0.72942822      -1.00370466       0.48804895 
O       1.42571236       3.50994337       1.13487592      -1.88677801       1.08371496       3.41785968 
O       3.11678758       8.35221515       7.03299670       4.00064950       1.83218066       0.75485339 
O       9.54567782       9.30752185       8.72467299       0.59666891      -0.60050952      -2.41858288 
O       1.06119052       5.97913168       9.00854804      -0.52347340       1.28595531       0.87852102 
O       0.84849431       9.77874722       3.60196638      -2.73367615      -2.49772329       1.25388253 
O       4.59574390       7.09728428       4.96155308      -0.64349311      -0.21447223       0.53174785 
O       3.92232358       9.39480002       1.44540702      -0.46429070      -0.27308971       0.47859513 
O       3.31839914       9.48718140       4.42692357      -0.43353574      -0.09290290      -1.60793746 
O       0.88058127       3.32568518       9.38142097      -1.19766042       0.91447846      -2.15134962 
O       9.19254541       3.65123162       1.42324097      -2.99798713      -2.65720825       2.23316969 
O       6.33978510       0.65377579       6.25486885       0.34426446       0.19671503       0.23441436 
O       6.15954060       4.73377267       8.65462774      -0.73922346      -2.98751243       0.32362501 
O       3.66884195       4.16766564       5.62271246       1.31372488       0.08502608       1.42372000 
O       0.94766689       3.71507796       6.43153422       1.24631500      -0.82928645       0.85915292 
O       8.73560096       4.55937187       9.49720760       1.32105030      -2.84213363       2.55012518 
O       8.80927118       3.96793810       6.81634384       0.50572380      -2.16779996      -0.40886984 
O       6.13075144       3.19081867       6.38689211      -1.93413382       1.28258189       0.66113868 
O       6.25095396       1.61686421       9.32616226      -1.46993263       0.29132129      -1.29341334 
O       6.95391032       1.53372239       1.45192171      -0.17039866       1.81400017      -2.11189430 
O       9.19954374       1.44111253       9.57454141      -2.08690611       1.92153391       0.54572692 
O       6.45845287       9.07207725       1.38555166       1.10340420       2.29007834       0.90630153 
O       9.08539183       8.56420772       6.07326384      -0.80612960       2.18690275      -0.15786185 
O       2.15975793       6.19865426       6.31600359      -1.68706280      -3.18563813       2.79445406 
O       9.02343956       6.89294586       8.95390433       3.60035803       1.39883993      -0.47164725 
O       9.23016721       6.39295507       1.18480723      -1.50133734       0.28490209       0.39114318 
O       9.75749812       6.22128291       6.49705232       0.34932971      -1.16502073       0.12535632 
O       6.62178085       8.61091272       6.86300813       0.93083732       0.99076159      -1.60620802 
O       6.55981854       7.18776249       8.98196065       2.76675154      -3.21463977      -3.31749744 
O       3.99478056       6.24723951       8.40918844      -1.62782467      -4.05258185       0.69339077 
O       6.69324511       6.86920600       0.44239277      -2.53806188      -4.86527355       7.20957310 
O       9.09160571       5.93173444       3.54173644       0.14129384       1.30537593       1.54778130 
O       9.37475327       0.46418215       1.86704114       0.40311552       1.27743093      -1.71866506 
O       8.86162499       8.89990428       3.38570277      -0.24282744      -1.55026884       0.66488386 
O       9.63506932       8.56332082       0.65251325       3.56825154      -0.18685448       4.55008891 
O       6.71754783       4.25137368       3.81692737      -1.02017767      -0.82405106      -0.24189029 
O       6.41483613       7.03266743       3.28966754       3.29132549      -3.15678802       0.39065063 
O       6.33509059       9.53358308       4.01505066       0.11076957      -2.97407679       1.15259912 
O       8.96301599       1.31186847       6.70514999      -0.95459227      -1.03043645       0.64949463 
O       0.75969666       7.12107029       4.17560216      -0.33856083      -0.97747015       0.44876871 
O       9.31566309       3.43792293       4.03979045       0.72467540      -0.60495603       0.12345963 
O       3.91757632       6.83504516       0.44837619       1.62095754      -0.42416452       3.47843532 
O       4.84145637       8.52013853       9.57122059      -1.96174987       4.04472452       0.86360567 
O       3.91107147       0.55586365       8.59485548       0.48361530       0.70365552       2.16119332 
O       6.96073481       6.23787027       6.02470392      -0.61106648      -0.98664167      -0.65143793 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02540182984300354 0.010137871642322245 -0.008952151475558468 0.010137871642322245 -0.030163931724249513 -0.006099023748780445 -0.008952151475558468 -0.006099023748780445 -0.020396021497107595" pbc="T T T" energy=-927.90105876 free_energy=-927.92983883 config_type=crystal 
Hf       9.94605697      10.27865103       0.02706737       4.93766886       3.56930642      -4.76528015 
Hf       5.30876539       2.71862999       2.29941556      -0.27629672       0.63313471      -2.27306906 
Hf      10.16289465       2.39904007       7.89903686       2.25839554      -3.29713751      -2.30450427 
Hf      10.05696980      10.11420338       5.13523035       0.39517261       3.15717062       2.51326112 
Hf       8.16909789       5.52832377       7.98550829      -1.37209120      -3.77716260      -2.37611255 
Hf       7.58178457       7.78778544       4.74443218      -1.17512248      -0.68217805       1.31943199 
Hf       7.51709215       2.67374956      10.33155631      -1.70892794       2.10701012      -0.92694533 
Hf       7.47081323      10.42770427       2.71083612      -0.01721957       0.57642640      -1.75120123 
Hf       2.72880805       2.64550024       5.25576382      -1.77100690       0.23909241      -0.75820293 
Hf       4.95220928       2.85209528       7.91333798      -0.82413716      -4.71126624      -5.69470966 
Hf       4.89351786       0.15072186       4.59702224      -1.01022187       1.12703357       4.56579759 
Hf       2.38806961       2.19779326      10.08278196       1.96786315       1.15298025       0.82084687 
Hf       2.41815847      10.45057553       2.53588626       0.14129988      -0.16656502       1.31400784 
Hf      10.22981459       2.05698801       2.41065651       1.59410491       2.82684646       4.03599689 
Hf       2.12110657      10.18332384       7.65168664       0.97108358       0.24410835      -0.13814120 
Hf       7.77576156       9.90875177       7.63322018       0.05496355       3.91936359      -3.28635099 
Hf       2.15283821       4.89738554       7.89025760       0.58218881      -2.00178122       2.86420450 
Hf       5.33639166       5.31794195       5.13861115       0.06765937      -4.86609344      -1.30780180 
Hf      10.38119091       4.81239382       4.91037849       1.86532406      -0.39421928      -1.35501124 
Hf       2.61919617       7.64818873       5.16173297      -1.02034736       0.18238089       0.48382237 
Hf       5.18926169       5.55313860      10.15609895      -0.12489660      -1.85982196       0.51642248 
Hf       4.96299250       7.76340045       2.38099498      -0.38594044       1.70709493      -1.40316926 
Hf       5.11659466       7.80138596       7.87719620      -1.02915023      -0.73369665      -0.62937335 
Hf       8.23892283       7.94337817      10.22220891      -3.45966630      -1.18536903       1.22436495 
Hf       7.72621781       5.64801533       2.25749476       1.61688517      -8.84002616      -0.39441074 
Hf       2.40906376       4.94284988       1.95426498       5.71426357      -2.59157492       3.73119321 
Hf      10.40880503       7.70062188       2.56661911       0.33773711      -1.37111723       5.53744915 
Hf      10.27236064       4.84396511       0.54105136      -0.66257343      -3.15549319      -2.00017528 
Hf       7.67821124       2.63231764       5.31103645      -1.31697308      -1.65208824       0.55187832 
Hf       0.09360708       7.44625764       7.68139087       4.40661697       2.51111881      -4.35239805 
Hf       5.09675650      10.41860590      10.19968617       0.50182084       0.12131115       2.77703571 
Hf       2.11248368       7.69012135       0.14343812       2.63758683       0.00490766       2.00691522 
O       1.71754895       8.48805104       2.09212409       0.37547146      -0.05502699      -3.30766749 
O       1.05278260       6.24463636       1.27758412      -0.28272595       0.72150506      -0.02102861 
O       3.88504465       1.21180887       6.17788649      -0.88251485      -0.35817577      -0.11026441 
O       0.68542453       1.83469650       4.15578735       1.38909381      -0.99349411      -1.04082281 
O       3.43250134       4.08151438       0.12478212      -0.47909423      -0.16517433       0.95168829 
O       1.23575962       0.91403993       9.12561281      -1.39881599      -2.72708161       0.06814088 
O       4.11017994       3.99399109       2.98426194      -2.08754849       2.52675002      -0.02073244 
O       6.34018973       4.06772411       0.82288373      -0.83241255       0.96229167       0.74701851 
O       3.54820832       1.48545479       3.69764200      -1.36594222      -0.02600957      -0.92207668 
O       1.60272060       4.28503612       3.82621393      -0.20745896       1.61804729       0.32291553 
O       1.27397004       1.00516935       1.21351340      -0.70138896      -0.01387800      -1.23142221 
O       3.48031983       6.99521026       3.42798078      -0.40242559      -1.75222483      -2.23062575 
O       4.29104278       1.34790705       0.94294109      -1.66400002       2.32295163       0.48057022 
O       8.29614908       0.86115820       4.17177311       2.86334826       0.89574596       2.07852054 
O       1.02036104       8.89536802       6.23107268       0.75940384       0.34479637       1.74099788 
O       5.92335677       1.48295169       3.61281355       2.48692879      -2.50689427       0.90959658 
O       7.10855533       9.72131270       9.70989941       1.53553096      -1.55201778      -2.33586613 
O       0.80873447       0.94320651       6.71093518       0.76462558      -0.22480425      -0.95096897 
O       3.03933634       3.10127531       8.21415488      -1.02520789      -0.97700353       0.90508357 
O       1.71410641       8.47440103       8.90490849      -0.42462496       1.59311783      -0.14747554 
O       1.16381800       3.49494708       1.43398317      -0.53945161      -0.42050931      -0.95334508 
O       3.51342055       8.43673171       7.10608625      -2.03350122       2.07791147      -1.11921679 
O       9.80519887       9.17390825       8.60696100      -2.68448148       1.77491792       1.11052183 
O       0.77206729       6.14414681       8.96052807       2.71151229      -2.26794661       2.18838814 
O       0.69019325       9.86779648       3.72083897       1.12810426      -0.59193766      -2.86149981 
O       4.55444804       7.05263767       5.33984216       0.86361552       0.32175438       2.53495437 
O       3.83656395       9.53132061       1.48268072       0.78750985      -1.66060095      -0.92003016 
O       3.34310502       9.38332100       3.96736445       1.35492047      -0.19972745       2.87958678 
O       0.75595918       3.24724562       9.30055523       0.26564854       2.92038641       2.34220903 
O       9.09085382       3.72541333       1.88664454      -0.10189167       0.60511165      -3.52455589 
O       6.78405059       0.81029812       6.26381525      -2.05522772       0.39523281      -0.81970656 
O       5.78975594       4.33113534       8.40113606       4.80824517       4.33271374       3.74572431 
O       3.86897108       4.13730226       5.99431206      -1.65640523      -0.40042875      -0.58652045 
O       0.91340485       3.77739549       6.51797237       0.67932694      -1.72801620       0.18713685 
O       8.78657648       4.60451803       9.83945506      -2.73170394      -1.49744215      -3.40679084 
O       8.95267717       3.66125584       7.24571541      -3.85076687       2.17716428      -0.97061794 
O       6.05649113       3.43665883       6.19603760       1.99710338      -0.49810223      -0.13551047 
O       5.96966667       1.94543538       9.26795344       2.14028435      -1.83802614       1.46422947 
O       6.81864369       1.51883945       1.19986631       1.27605723      -1.15265921       2.15670765 
O       8.81934762       1.35566103       9.82643113       2.51607911      -0.49426231      -1.57178207 
O       6.40403909       9.37562981       1.52211862      -1.26847259      -2.16588995      -0.77351023 
O       8.77649407       8.76296023       6.04244361       0.13789342       0.09150967       1.42774836 
O       2.08145108       5.96398562       6.46442561      -0.54890419       5.30189598      -3.76907261 
O       9.14838087       6.99176395       8.81669150      -3.49299150      -0.82593085       1.18074224 
O       9.00918617       6.41405378       0.91798632       0.19350833       0.70182426       0.98799348 
O       9.75644166       5.91622427       6.48842158      -1.75540121       1.94048290       2.18855339 
O       6.24876925       9.06235070       6.67840173      -0.51827846      -2.62585931       2.15966380 
O       6.69646420       6.68513810       8.88612564       0.19266626       0.91032525       0.93515048 
O       4.10868662       5.74155909       8.52270578      -2.38547081       3.35122301      -0.70377849 
O       6.52365625       6.62982726       1.14186849      -3.24528115       2.43126979      -5.78900683 
O       9.16375310       6.06183978       3.57553337      -0.02351687       0.41154741       0.37209978 
O       9.43514282       0.37401039       1.70835251      -3.52519109      -0.07037388       2.97030932 
O       8.77241152       8.63827273       3.36094121      -0.93256776       1.68376646      -0.55509021 
O      10.02747071       8.46999936       0.83079523      -1.41356311       1.98295099      -4.21802777 
O       6.58043235       3.99344978       3.85122103       0.92541480       0.76386104      -1.15587768 
O       6.63775656       6.74091572       3.19918190      -3.92654208       2.94439997       6.78285329 
O       6.19447625       9.11061799       4.05681582       0.14172848       0.35580881      -0.68532548 
O       8.79135828       1.14232963       6.98150990       1.58007780      -1.15067006       0.76002652 
O       0.59687619       7.34835534       4.43185859       2.13098295      -1.68550046      -0.52719961 
O       9.34121349       3.33739456       4.04369696      -1.23715596       0.77639236       3.55576341 
O       3.63314760       6.40028529       0.94525559       0.87641011       1.60028237      -0.49866717 
O       4.48268686       8.45799819       9.81859048       0.52498489      -0.83242626      -2.10782001 
O       3.86926560       0.67927375       8.84343547      -2.21201900      -0.68891927      -0.42465883 
O       6.88160521       6.17957364       5.96108460       2.48281833       0.56158334       1.67932168 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02207948975209513 -0.014316360426322358 0.011435911236085365 -0.014316360426322358 -0.030170891000683365 -0.0023703818609609314 0.011435911236085365 -0.0023703818609609314 -0.008161296326662765" pbc="T T T" energy=-930.00281794 free_energy=-930.00441366 config_type=crystal 
Hf       9.90101944      10.41347306       0.00545456       4.11224420       1.80731830      -2.28696056 
Hf       5.26267204       2.67030043       2.22363598       0.00114507       1.55486637       2.27264453 
Hf      10.10163483       2.27634041       7.99205490       3.06265343       0.05058118      -1.07745561 
Hf      10.09271491      10.10154597       5.18018959       1.64811079       4.14562623      -0.12607410 
Hf       8.15343627       5.41009862       7.90728956      -4.33788480      -2.16053150      -0.18743747 
Hf       7.50338708       7.78100868       4.77616256       0.03974122      -1.41542456       2.02053584 
Hf       7.51170498       2.77149351      10.23432877      -4.21813803      -1.17992015       0.76101532 
Hf       7.42190331      10.37611710       2.75350912      -3.30490120       1.17247979       1.03365359 
Hf       2.70886775       2.69951934       5.37380665      -3.74953357      -1.68352861      -1.82447792 
Hf       4.99294812       2.99413721       7.76140811       2.01874330      -0.39903199       0.13709405 
Hf       4.95468474       0.14347245       4.65728380      -1.13841980      -0.36955073       5.33174544 
Hf       2.41974839       2.20787357      10.08032586       0.86259620      -0.99709236      -1.17939145 
Hf       2.56607790       0.09816992       2.50862150      -0.24871992      -2.78002608       0.02923601 
Hf      10.20866512       1.91316202       2.43874245       1.48089177       1.08972125       5.01863174 
Hf       2.11324677      10.09643020       7.59814041      -0.47510881       3.59746707       1.90125713 
Hf       7.84111031       9.91467396       7.50597777      -6.27238583       2.59684032       3.30040557 
Hf       2.15312299       4.91716488       7.91267986      -0.97420549       0.23717038      -0.43372166 
Hf       5.43783939       5.23889283       5.13133358      -0.82126827       0.84076072      -0.70485199 
Hf      10.33212076       4.88923143       4.90051682       2.73791128       2.44155540       1.90980837 
Hf       2.73359048       7.68386696       5.22016325       2.73888305      -0.51699306      -1.85840087 
Hf       5.26046378       5.56152140      10.07348976      -2.45932891      -0.89024980       1.64767366 
Hf       5.01044279       7.88486939       2.38388920      -3.24916409      -1.30784931       1.03503797 
Hf       5.04029449       7.82925870       7.85760630      -1.66548770      -1.15919413       0.15732297 
Hf       8.26422236       7.92229610      10.18885460      -1.87922105       0.66949714      -1.32961345 
Hf       7.80398210       5.53444294       2.27744899      -4.24968796      -1.44514084       3.16269384 
Hf       2.43122405       4.84588074       1.78026912       3.95855267      -1.29593163       4.37444527 
Hf      10.40925299       7.74844028       2.65641597       2.09691304       1.80178046       2.13033891 
Hf      10.28736530       4.77421197       0.42306871      -2.54157172       0.11414389      -2.93004672 
Hf       7.77438421       2.63677614       5.39124889      -6.24549793      -3.01165745       2.05342147 
Hf       0.19715631       7.45766109       7.56263843       0.48352460      -0.34732308       1.71670266 
Hf       5.13290602      10.43514166      10.28229296      -0.93884795       0.21370981       0.82847220 
Hf       2.04015083       7.77230939       0.17929239       2.23363869      -0.60349218       0.15870887 
O       1.88414688       8.60785335       2.00163176      -1.69420434      -1.85634294      -1.19623926 
O       0.75749478       6.39313426       1.21294937       1.93608054      -1.21740008       1.95072187 
O       3.78857507       1.11369495       6.02908151      -0.25026751       1.21779118       2.34428373 
O       0.73477266       1.84081608       4.39375440      -0.46907340      -2.02009015      -4.08998251 
O       3.31501814       3.95100578       0.16682694      -2.11409882       1.33510009       0.72107302 
O       1.07359590       0.88434973       9.07528849      -2.12949552       0.38039304       0.97735278 
O       3.88832214       4.03385915       3.06934471      -0.39238505      -0.83730255      -0.77066426 
O       5.74582375       3.89978943       0.75589649       2.53393947       0.72472417       0.29868257 
O       3.48255343       1.40785838       3.75798948      -0.05284907       0.23591302      -1.84742707 
O       1.24604549       4.18673841       3.83426526       1.55208213       1.66297450       0.00735108 
O       1.04166237       0.82794790       1.08292296       0.26315945       1.09487797       1.59354682 
O       3.73859614       6.61356111       3.66155716      -0.59250229       1.27234360       2.37919477 
O       4.06794610       1.75518551       0.93097362      -1.66062094      -2.76913036       0.19847371 
O       8.44845260       0.79056651       4.39115921       2.04362960      -0.17617602      -0.65696884 
O       0.84413870       8.96125976       6.45099758       0.24657019       0.04780211      -1.43189016 
O       6.04022823       1.35153903       3.70731486       1.08950037      -0.13949824      -2.10070716 
O       6.91011063       9.91848010       9.43433064       0.73963924      -2.74404482       0.07876305 
O       0.73608680       0.99017107       6.64806849       1.06074027      -1.06244093      -0.82213521 
O       2.98091997       3.10794301       8.20225251       1.04615650      -1.85652177       1.92793862 
O       1.67084301       8.48559484       8.76990947      -0.73962128      -0.15421327       1.07620651 
O       0.76882601       3.45256368       1.62684624       1.03504452      -0.38436330      -1.54580498 
O       3.54076601       8.99783097       6.98455180      -0.66621782      -1.23266098      -1.41947058 
O       9.56961026       9.27021382       8.59936515      -1.20916352      -0.28155757       1.88593413 
O       0.97358016       5.97431084       9.26644317       0.35464610       1.84110983      -0.97907005 
O       0.54947822       9.73629590       3.43042024      -0.57208724       0.66869830       1.20305163 
O       4.64492531       6.99952097       6.10490338      -0.93884069      -2.53150006      -1.00241075 
O       3.88260728       9.40149221       1.36338802      -0.38737435       2.32696278      -0.11900990 
O       3.60072258       9.29766981       3.95143824      -1.30089850       0.31537611       0.00194280 
O       0.55920268       3.65772580       9.46190228       1.13940105      -2.79239518      -1.17862232 
O       8.83841023       3.97873441       1.74319166      -0.00540205      -1.84005126       0.39288378 
O       6.85447231       1.03027640       6.18476823      -1.88212513      -1.32217686       1.33190867 
O       6.21778783       4.45585832       8.77764400      -1.53479784      -5.08659115      -2.40331164 
O       3.79261858       4.04209532       6.26346463       0.51724156       1.64392189      -1.25109690 
O       1.03605939       3.53122701       6.67125489      -0.53218664       1.11011075      -0.79539289 
O       8.50951973       4.33502196       9.78161894       2.29593414       2.33499552       0.05396081 
O       8.52117290       3.52095841       7.45999369       0.81066101      -2.54724057      -1.80006569 
O       6.16511951       3.65271134       6.10932252      -0.61038364      -0.33986879       1.63760616 
O       5.94159057       1.93841329       9.32575816      -0.90552698      -0.64083336      -1.63734196 
O       6.90149779       1.40162105       1.27154910      -0.93164741       1.27245084       0.39961811 
O       8.81771552       1.32337239       9.77076978      -0.20683182       3.10277838      -0.61742521 
O       6.17230204       9.36451376       1.52742163       1.82759263      -0.24068947      -1.18963548 
O       8.57465205       8.96660307       6.12639415       2.85214840      -3.42502516      -4.27995748 
O       1.84047070       6.33904158       6.33291561      -0.27791751      -2.13886650       4.71712223 
O       8.98089603       6.97277146       8.76247334       2.23207731       0.75118616       0.36502955 
O       8.81406407       6.46293114       0.89546944       0.02734607       0.41987297       0.51943232 
O       9.57093978       5.92928064       6.75549995       3.69045237       0.37568150      -2.65158871 
O       5.90473259       9.06870033       6.78304144       3.82550698       1.66085328      -0.64129419 
O       6.73873551       6.43641367       8.97732151      -1.37265152       6.26731965       1.71262375 
O       3.81925851       5.74056250       8.55650052       1.34801117       1.20792431       0.74018086 
O       5.98638685       6.58355818       1.25526987       3.20938492      -0.28040409      -0.29540068 
O       9.19541880       6.25679881       3.67286620      -1.29333503      -1.04349407      -0.78786059 
O       9.00329516       0.32837493       1.89267767       4.48347312       1.08362167      -3.48469617 
O       8.56420908       8.66189400       3.24125623       0.56551770      -0.65596326      -0.03538651 
O      10.24404350       8.59187104       0.54163234      -1.43701870      -2.04291749       0.95864219 
O       6.59852579       3.88446377       3.65181522       0.74220222       0.81715162      -0.43421772 
O       6.34019737       6.52012547       3.86111096       0.87711472      -1.18326255      -3.08039189 
O       6.05320412       8.82637169       3.94354055       0.53187520       3.08096596       0.87268492 
O       8.95582006       0.87798367       7.34808981       1.25560675       2.42236134      -1.71380604 
O       0.80570723       7.23745213       4.63912975      -1.55809974       0.70275375      -4.24255001 
O       9.21109665       3.40424940       4.62463804       3.04097604       1.51598665      -2.75082188 
O       3.57413006       6.34498178       1.33541857      -0.98761197       2.02287632      -3.37328768 
O       4.20217972       8.40003522       9.68192389       1.00065848      -0.15147745      -0.67805411 
O       3.50801654       0.69925363       9.09866621       0.58928215      -0.68827287       0.26122253 
O       7.17653602       6.17223987       6.16793408      -0.67664747      -0.00327536      -0.24004885 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.024927847605251987 0.012800249438017516 -0.0020024424887675903 0.012800249438017516 -0.028290181620156122 0.0037042379116957844 -0.0020024424887675903 0.0037042379116957844 -0.04417548804616785" pbc="T T T" energy=-926.21504628 free_energy=-926.21526456 config_type=crystal 
Hf       9.95979668       0.18076509      10.36239864      -0.00681642      -2.63716773       2.45907544 
Hf       5.17405158       2.64284214       2.18738085       0.51479847      -0.63273152       4.46265537 
Hf      10.15888798       2.12542357       8.08841626      -0.50289191       3.39002190      -7.68043407 
Hf      10.26448210      10.25247193       5.24697326       1.27116063       1.29950105       0.49000062 
Hf       8.05016868       5.13537165       7.74820374      -0.56370514       0.96175137      -3.46798762 
Hf       7.37204119       7.70021265       4.89144357       1.56249691       2.64244995      -0.61212799 
Hf       7.30697784       2.91182484      10.12138225      -4.12323748      -0.33435879       1.59021964 
Hf       7.32338424      10.31685183       2.77083969       1.07005423       1.15000758      -0.47925673 
Hf       2.49503543       2.73066026       5.48848365       0.05445244      -1.77937403      -3.59434904 
Hf       5.08687295       3.11133699       7.49844086      -2.38603400      -6.20542891       0.20552205 
Hf       4.99823910       0.16676058       5.01363341      -2.80414170       1.49469912       1.25330170 
Hf       2.43695388       2.15847970      10.05190196       0.61453464      -1.01404543      -0.56331812 
Hf       2.72831342       0.16820952       2.43577151      -2.89676908       0.84749130       4.54807465 
Hf      10.21083069       1.73732787       2.65191330       1.93030955       1.01455849       1.41799704 
Hf       2.04805658      10.13690823       7.63435482       4.31193009       2.39355305       0.04505947 
Hf       7.74193051       9.99635135       7.37464350      -4.24717767      -0.39537978       0.02790861 
Hf       2.13036529       4.93456661       7.99869455       3.67576300      -4.72037278       2.22602863 
Hf       5.50747656       5.11561942       5.11214715      -2.53344749       3.53916688      -2.70992106 
Hf      10.38987670       5.16870953       4.90954109       2.47533836      -2.92838809      -4.00740012 
Hf       2.96532942       7.68314814       5.24671789      -2.50337974      -1.98263209      -1.81445930 
Hf       5.27437848       5.56957514      10.02061901       1.72282604       1.24743299       3.70425019 
Hf       4.96431396       8.01641560       2.37375813       1.61049168      -1.58670216      -1.16018629 
Hf       4.90858207       7.87381886       7.87079120       0.31170038      -1.15291502      -0.36003741 
Hf       8.21827176       7.94070447      10.08765879      -2.73999206      -1.48841281       1.51321475 
Hf       7.75388417       5.27924223       2.43055736      -2.69260615       0.16977595       0.00583839 
Hf       2.54628276       4.71537497       1.75219385      -0.61236137      -0.01944102       2.23428171 
Hf       0.00105541       7.89194255       2.83667962      -0.11621057       0.12194704      -0.57880966 
Hf      10.23470555       4.69188966       0.16244746       2.73623628       1.15096434       3.39271513 
Hf       7.73948655       2.50645070       5.56230417      -0.48296121      -2.04017418      -3.09827817 
Hf       0.36461206       7.48467833       7.47389374      -1.86654273      -2.54472919       1.37495035 
Hf       5.17581106       0.00024208      10.40952563       1.00569279       0.58565295      -3.68980948 
Hf       1.99812024       7.83629932       0.18438210       0.78720913       0.01911419      -0.74350296 
O       1.74353851       8.72176276       2.03942123      -0.93612406      -1.58847873      -2.61580136 
O       0.92299377       5.85138124       1.64019871      -1.67321793       2.69411578      -1.37597663 
O       3.75900449       1.58393241       6.45686703       1.07860359      -2.13536448      -0.42082880 
O       1.32011363       1.23093836       3.83353912      -1.54790537       2.60216611      -0.27226753 
O       2.87515672       4.08861538      10.25118710       0.22431341       1.04770595       3.77597025 
O       0.76760314       0.86716151       8.98004167       1.75201082      -2.85840290       0.92745406 
O       3.79602899       3.75280850       3.00681869      -0.49567228       3.12510145      -1.16289474 
O       5.68530075       3.92872565       0.71732823       0.40889126       0.33206888      -0.42423671 
O       3.86823761       1.57743636       3.83835503      -1.38533640      -2.37973055       0.50545873 
O       1.53042679       4.49255387       3.84030656      -0.88595085      -0.90443991       0.86178078 
O       1.18385533       0.92889241       1.27555305      -2.84442877      -0.78528912      -2.34022473 
O       4.08046524       6.39746569       4.48709355       0.08833666       1.00085672      -4.27552201 
O       3.59520344       1.53365541       1.35448558       1.48798290       3.10776441      -3.77400533 
O       8.74506502       1.13652016       4.33376905       0.56410737      -2.15807322      -2.67376128 
O       0.92529780       8.87400651       6.25878938       2.53361438       0.40074368       0.28803484 
O       6.07458604       1.24306859       3.80948381       3.37851454      -0.04149634      -2.66465111 
O       6.48085326       9.49858652       9.17595146       0.31881302       3.40461617      -1.92420005 
O       1.28900264       0.92275116       6.29019845      -0.83973030       0.20636902       1.08381530 
O       3.44517643       2.96775580       8.35360444      -3.57897935       0.45968697       2.52731525 
O       1.32216616       8.73205899       8.74572962      -1.37330359      -1.42273628       1.17906840 
O       0.69241742       3.38219963       1.32733060       0.48449797      -1.14299720       0.38648281 
O       3.88195126       9.12431604       6.09629189      -0.65508720       1.06475532       4.77059323 
O       8.81758574       9.54765929       9.06441139       1.68861142       1.95996092      -1.46566380 
O       1.32967576       6.14388390       9.38137858      -2.51668624       0.44452948       0.52715875 
O       0.21783176       9.77082190       3.53200570      -0.94079957      -2.74757339      -3.95739644 
O       4.62158484       6.05659747       6.63022665       2.16749907       4.28092933       2.20095353 
O       3.96672947       9.69377037       1.31005865       2.55358094      -3.75858624       0.07200552 
O       3.46025843       9.25206324       3.77423292       1.43267928      -1.51454435       0.24608180 
O       0.94522115       3.24669824       8.97993366      -0.42882640       3.03868229       2.51718710 
O       8.53690057       3.49709307       1.28053078       0.61304763       1.95081157       0.24758186 
O       6.24792557       1.08368280       6.35061689       2.92257749       0.08575819       1.19483132 
O       6.28259925       4.12078084       8.68787142       2.25190161       3.71826367       1.83660129 
O       3.71299058       4.13183702       6.19195872       0.51154268      -0.95333717      -1.23462173 
O       1.14893234       3.60478054       6.61932799      -1.32479120       0.80796021       0.18337108 
O       8.85007648       4.64096887       9.36512248      -2.01255372      -2.67722436       0.59830833 
O       8.32669364       2.91170898       7.37370249       0.80297254       2.31788954       0.32610133 
O       6.35100476       3.84816490       6.20921821       2.89720393      -1.10237826      -0.51136311 
O       5.69087442       1.67876875       9.01444910       1.00955670       0.30272027       1.37057038 
O       6.53461582       1.60541387       1.12377076       0.37027354      -2.66327715      -1.26561102 
O       8.93255328       2.10979994       9.52829692       1.99415727      -4.45587769       2.06170529 
O       6.55496808       9.19387504       1.20772978      -1.42305844       0.24476696       0.92629333 
O       9.07741930       8.55464339       5.72410011      -0.75248258       0.65175623       2.07862943 
O       2.07600615       6.46115817       6.91455207      -1.32889516       3.66728678      -2.47390897 
O       9.07270261       6.77106675       8.72281806      -0.43298977       2.46361365      -1.29632716 
O       8.60948639       6.46816027       1.11616905       1.64344021      -0.37719278      -1.59810250 
O       9.95221434       5.65238414       6.68005466      -1.04725699       0.98723895       3.09043389 
O       6.27355321       8.93656121       6.40349506       1.95703340      -0.94388596       1.44994781 
O       6.20485276       7.48724527       9.32009950       1.63721684      -6.32444971      -0.19231278 
O       3.91024475       5.94251411       8.90266736      -2.33461328       0.54802790      -2.62325174 
O       6.03362259       6.46990132       1.36628946      -1.50797045      -0.10897407      -1.85443830 
O       8.87839457       6.11230225       3.90508156       1.92190263      -0.18954258      -0.07785086 
O       8.89334690       0.52076504       1.54143022       1.43019333       0.64817365      -0.04252424 
O       8.24857288       8.55601049       3.18706518       3.52294780       0.65605878      -0.88064916 
O      10.03314590       8.51973935       0.38399410       1.41708303       1.27839809       1.42188655 
O       6.65245383       3.77078232       3.41503210      -0.36299707       1.08794342       0.90753721 
O       6.53955095       6.67153371       3.44142953      -1.90377670      -1.25445684       2.38001501 
O       6.23633111       9.19620670       4.02298822      -3.55536980      -0.09953001      -0.60464533 
O       9.26368218       0.62913584       6.67241685      -2.48927007       1.75348491       3.71550496 
O       1.27354511       7.07898581       4.22237645      -2.45565497       0.52826189      -0.03698504 
O       9.29656165       3.40635520       4.76936016       1.10170466       2.25581120      -0.43850678 
O       3.44816013       6.76034402       0.93362471       1.01732449      -1.29265851       1.87746614 
O       3.89028644       8.55369777       9.38649153      -0.86679451      -1.18079882      -0.37245352 
O       3.13824151       0.16070745       9.42754101      -0.27556526       3.71843096      -0.65138648 
O       7.15373112       6.27294324       6.16793983       0.17131070      -2.22452722       1.50200030 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02912659215854662 0.023440841179699235 -0.006544855700593182 0.023440841179699235 -0.04263893084140053 -0.017607223257267494 -0.006544855700593182 -0.017607223257267494 -0.017867093520379997" pbc="T T T" energy=-924.60517941 free_energy=-924.63318058 config_type=crystal 
Hf      10.00412742       0.22989050      10.35442234       1.81691442      -6.02816437       2.76287794 
Hf       5.14074971       2.61749259       2.26981516       2.62775929      -0.43827526       1.83265489 
Hf      10.22668415       2.12997961       7.99692419       0.66043898       1.94837830       0.33667956 
Hf      10.44004183      10.38093626       5.26420691      -0.45419604      -3.05489423       1.21332187 
Hf       7.98135415       5.00461699       7.58772612       2.26975127       1.73718567       0.55637972 
Hf       7.33369177       7.67084293       4.92319121       4.70841285      -0.37073602      -2.97740045 
Hf       7.08624276       2.97773898      10.10088974       3.98810704      -1.53815430      -2.26108698 
Hf       7.31883814      10.29367411       2.73214122       2.74929027      -0.92336221      -0.66860808 
Hf       2.33012381       2.71090436       5.46869605       1.31323113       2.42934238      -2.65449453 
Hf       5.09485113       3.03231509       7.39204659      -0.99092337      -1.66990872       3.46194230 
Hf       4.96477719       0.23101719       5.29510376       1.22131311      -1.09615857      -0.01464971 
Hf       2.41944696       2.08736794      10.02889652      -1.53754611       3.70964570       1.37326083 
Hf       2.72816616       0.19188072       2.44420821      -0.25820549      -1.99639983      -0.78090836 
Hf      10.22030595       1.68058285       2.78217981       0.93715405       2.46782008      -4.57391815 
Hf       2.09934410      10.21733543       7.68465873       5.05680617      -4.13585621       1.82106984 
Hf       7.57321045      10.02444629       7.32935688       0.04000903      -1.58583219       1.53925475 
Hf       2.18550206       4.86895652       8.11624798       1.32266945       1.67901130       1.60215016 
Hf       5.46680983       5.12612256       5.05756058      -1.48706483       2.43924646      -0.29487910 
Hf       0.04861142       5.30646838       4.84060745       3.38278317      -4.01532530       2.57818146 
Hf       3.04300422       7.63283932       5.21661500       0.85132427      -0.22135613      -2.14810863 
Hf       5.27260959       5.61923192      10.07627125      -4.79867852      -0.88097188       1.30080583 
Hf       4.94939146       8.02097353       2.33693186       3.08950662      -8.11973514       3.69386015 
Hf       4.84839650       7.88717457       7.88787466       0.50664294      -0.14094695       3.61982467 
Hf       8.13845349       7.93634195      10.03975834      -0.11903016      -0.48431780       3.94024291 
Hf       7.63736061       5.14259636       2.52606468       0.55671888       2.90164858      -2.79558652 
Hf       2.57062777       4.69524596       1.84255672      -5.11064365       3.14070137      -1.06397496 
Hf       0.02007156       7.97258159       2.87480422      -0.60608136      -5.71172281      -4.65306750 
Hf      10.25783900       4.69320275       0.08618371       0.93460496       0.35863027       2.96010852 
Hf       7.70141020       2.35143582       5.58298119       5.68937294      -3.05941409      -5.18725422 
Hf       0.39663769       7.46665678       7.49005439      -1.67152612      -1.10082657      -0.31106666 
Hf       5.21417198       0.02808793      10.39304042      -2.09339843      -1.89371246      -4.66934302 
Hf       1.99460758       7.84034534       0.14068352       0.76380985      -2.03870079      -2.11373004 
O       1.66174725       8.77976508       1.83421013       1.26854791       0.71277907       0.91830668 
O       0.72337340       5.74982393       1.58522342       1.30691038       2.22078752       1.07334967 
O       4.01301509       1.58938039       6.59761073      -1.30621149      -1.50712576      -0.45582643 
O       1.76284206       1.29806920       3.81257637      -3.82431341       0.00169236      -0.41690817 
O       2.86120705       4.38337863      10.44091083       0.49636750      -1.21422170       0.47325225 
O       1.07043395       0.70272191       8.92227662      -4.04163690       3.00964139      -0.21617598 
O       3.99105124       4.00494617       2.82800492       2.36820234      -1.25427109       1.62191881 
O       5.88921938       3.95071932       0.66985899      -1.75292893      -0.65601341       2.71155437 
O       4.03141173       1.39044733       4.16902133      -1.68951230       0.94915698      -3.13399933 
O       1.73066100       4.40021498       4.00872311      -0.80326962      -1.70823973       0.26766421 
O       1.11520040       0.81799842       1.00045725       1.99574894      -0.44151916       2.50778507 
O       4.34062044       6.49373349       4.02760204      -1.82106857       0.40416528       1.57028648 
O       3.73340835       1.72175824       1.14190052      -0.57219014      -1.43288147       1.46524392 
O       8.65119043       1.19267090       3.67716896       0.55690088      -0.39017499       4.74209595 
O       1.53780735       8.82645752       6.11206519      -2.36560647       3.74668447       0.53467948 
O       6.36110088       1.28512848       3.73266327      -1.29510286       0.72163309       0.43353781 
O       6.10565956       9.77725077       8.73927752       0.35462735      -1.83902596      -0.25618222 
O       1.51634473       1.06175119       6.30438632      -3.04376322      -0.53526689       0.48876391 
O       3.38106352       3.23085733       8.52831514       1.84504527      -0.70225837      -2.14780765 
O       0.86285048       8.77456327       8.84498572       0.92480582       0.80921056      -0.76042973 
O       0.92673313       3.23537831       1.17469981      -0.04093939      -0.03205550       1.00340892 
O       4.14612003       9.18736789       6.57864304      -2.29217975       1.52393999      -2.20580756 
O       8.72964056      10.01905160       8.93579424      -0.98959883      -2.29752686      -0.42032866 
O       0.99141414       6.25878059       9.38143185       0.21178707      -0.53511293      -0.79458869 
O      10.26064770       9.64148678       3.45178657       3.89808760       8.03597569       3.44933966 
O       5.02870684       6.33101275       6.93747765      -1.36313028      -1.74558647      -4.87693639 
O       4.36142860       9.34813615       1.33017196      -4.23024464       6.21722447      -3.38573451 
O       3.49807271       9.00816896       3.55779012      -1.17536966       1.30733179       1.94284142 
O       1.09340737       3.32786927       8.92123890      -2.80303535      -0.16749503       1.13978828 
O       8.53583804       3.44958793       1.04493222      -0.57346951       1.38691349       3.16356350 
O       6.45448597       1.11044885       6.62354095      -0.22536820      -0.12165575      -1.56086560 
O       6.26738914       4.56684264       8.58996138      -0.18429941      -3.29702510       0.47931780 
O       3.88948891       3.97152309       5.87126556       1.54639454       0.84990555      -0.04447297 
O       1.05209707       3.87548880       6.53076740       1.51773438      -1.66366255      -0.87227128 
O       8.83213773       4.38913766       9.34170498      -2.41884597       0.26243857      -1.25081493 
O       8.63490523       3.06073009       7.44366223      -1.71563924      -0.23120093      -1.91628525 
O       6.84010191       3.83171946       6.10180726      -4.67303536       2.00365037       2.22911743 
O       5.67056623       1.75722390       8.96898696       0.35283909       2.57315662      -1.06817936 
O       6.22647352       1.34493925       0.66802196       3.25021658       2.87116576       4.94934733 
O       9.33805542       1.80426424       9.77673834      -2.02757738       5.50611644      -3.90213265 
O       6.73241497       9.18186214       1.21841189      -0.41045393      -0.53704453      -1.87298387 
O       9.36089675       8.57099505       6.11249985       0.28121836       1.69229652      -0.07015815 
O       2.38681701       6.78903543       6.80643717      -2.39296692      -2.57451562       2.18781976 
O       8.81219156       7.06023100       8.59743246       0.71577043       0.29041019      -1.80697032 
O       8.83014109       6.22462289       0.96649276      -1.43970026       0.29658345      -0.12292851 
O       9.96928052       5.55108807       7.17680616       0.89879104       1.47154510      -3.21697394 
O       6.54949855       8.55164828       6.36802396      -0.72814660       3.07966225       3.42526256 
O       6.28984186       6.92008702       9.22033338       2.11200779       4.36641817      -0.92255322 
O       3.73352809       5.96523204       8.73530382       0.39961441       0.47457413       1.17465796 
O       5.98148061       6.33385004       1.26552162       1.56583359       0.48101685       1.33885923 
O       8.93470482       6.00011044       4.09876707      -1.71250091       1.48399713      -2.35887054 
O       8.89560173       0.75890060       1.47243818       0.52118218      -0.70708752       0.69716853 
O       8.52689697       8.56633770       3.21979937      -3.20130829      -0.76861582       0.93003341 
O      10.07253932       8.78308202       0.68150986      -1.90935055      -2.02695601      -0.22407705 
O       6.46912745       3.84408978       3.60124066       0.21316252       1.03446305      -0.38931242 
O       6.53131792       6.81086207       3.41255129       0.87771703      -2.69607227       0.59979810 
O       5.97329656       9.22231892       3.96821703       0.57338437       0.16582969       0.17796129 
O       8.99379164       0.89767268       6.47544328       2.06162841      -1.13594103      -0.77237578 
O       1.31222756       6.98615574       4.32528850      -1.89609862       0.63994790      -0.92965074 
O       9.42076362       3.53902841       4.62100386      -0.06732839      -1.29232998      -0.28160085 
O       3.59834497       6.62397812       1.09072697      -1.83557340       1.04983050       0.31304676 
O       3.44353543       8.56411269       9.28185318      -0.38266699      -0.95761050       0.26991878 
O       3.13467745       0.41666497       9.46472292       3.64478066      -0.63847965      -0.77905901 
O       7.02423272       6.05576917       6.13943095       2.14334210       1.17475566      -2.38608024 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03466660655818753 0.019129241509401512 -0.004469931315327804 0.019129241509401512 -0.045385461119568475 -0.019019762175024244 -0.004469931315327804 -0.019019762175024244 -0.017695345595446103" pbc="T T T" energy=-924.0406412 free_energy=-924.05305006 config_type=crystal 
Hf      10.01392923       0.23130752      10.35832425       1.19299370      -7.63067748       2.34769812 
Hf       5.14113465       2.61179887       2.28655291       2.23266305      -0.17969802       1.66716861 
Hf      10.23994106       2.13386979       7.97925138      -0.37734923       2.24735589       0.89369956 
Hf       0.00278945      10.39612534       5.26993234      -1.13127033      -3.21949364       1.42643892 
Hf       7.97159515       4.98829799       7.55902466       2.72982272       2.01427377       1.38123514 
Hf       7.33732564       7.66604480       4.92321999       3.61829980       0.04278943      -1.94205039 
Hf       7.05523988       2.98524754      10.09475341       5.38370823      -1.66756463      -2.40407781 
Hf       7.32173089      10.28995673       2.72659686       3.08511256      -1.30989229      -1.37100028 
Hf       2.30679946       2.70885299       5.46088125       1.65879188       2.99580283      -2.99738005 
Hf       5.09300049       3.01492947       7.38026061      -0.37603556      -1.00160155       3.45016439 
Hf       4.95964248       0.24017783       5.33761642       1.26275100      -1.31519325      -0.43858802 
Hf       2.41633913       2.08010544      10.02601874      -2.61462397       4.96924429       2.14656651 
Hf       2.72773548       0.19341935       2.44599165      -0.40884142      -2.09686124      -1.03948097 
Hf      10.22283071       1.67558734       2.79687038       1.56993253       2.78963882      -5.18319753 
Hf       2.11747354      10.22380930       7.69366050       3.99291675      -3.73316688       2.58619865 
Hf       7.54468105      10.02643728       7.32366913       2.13886448      -1.50497197       1.95139350 
Hf       2.19872475       4.85949727       8.13688188       0.07202669       2.04060716       1.14006717 
Hf       5.45720541       5.13241913       5.04894187      -0.85080964       2.54471878      -0.72241949 
Hf       0.07519797       5.31967191       4.83493341       1.80505364      -3.98817758       2.10258610 
Hf       3.05633125       7.62443977       5.20919897       0.43039323      -0.28222597      -1.99620184 
Hf       5.26715262       5.62683091      10.08773101      -4.38040031      -0.74486625       1.03616572 
Hf       4.95233539       8.01008607       2.33595882       2.28653798      -6.57907810       2.46721668 
Hf       4.83915945       7.88750237       7.89412643       0.96263442      -0.13838130       3.90152508 
Hf       8.12568127       7.93370405      10.03738890      -0.15769623      -0.16999589       4.80407233 
Hf       7.61814582       5.12664985       2.53717811       1.44963995       2.68743206      -3.28032175 
Hf       2.56858382       4.69589078       1.85472880      -5.55356225       3.29752015       0.61610867 
Hf       0.02181418       7.97618186       2.87411523      -1.00826364      -3.48691491      -4.50604480 
Hf      10.26275842       4.69435811       0.07926158       0.85867243       0.31854675       3.13384196 
Hf       7.70353567       2.32335793       5.57836424       5.34901656      -1.75089067      -5.32557965 
Hf       0.39857446       7.46090917       7.49217014      -1.90666413      -0.86627299      -0.10034071 
Hf       5.21724664       0.03221099      10.38470096      -1.86005455      -2.24110314      -5.67858064 
Hf       1.99682882       7.83880032       0.13060038      -0.01027679      -2.59745635      -1.93941488 
O       1.65226969       8.78357770       1.79346543       1.52147762       1.01112201       1.70959825 
O       0.69154548       5.79300978       1.58042310       1.87135041       1.85274349       1.40944325 
O       4.03522970       1.54651512       6.60296702      -1.54562507      -0.85999751      -0.09912808 
O       1.75140438       1.31678915       3.79350726      -3.60746015      -0.02118764      -0.05712178 
O       2.85768633       4.41524078       0.06090941       1.05184256      -1.62422259      -2.10676693 
O       1.01571080       0.73981005       8.93326100      -1.43617486       1.74955573      -1.36124999 
O       4.03359509       4.05443214       2.82106530       2.36000464      -1.58250606       1.47562143 
O       5.91178168       3.92353672       0.70524961      -2.60471881       0.28530309       2.79395942 
O       3.99439247       1.37279420       4.16862738      -0.57083799       0.53647483      -2.82471321 
O       1.73899984       4.35375416       4.04041748      -0.61650144      -1.49974462       0.19757337 
O       1.10117308       0.78624669       0.98224272       3.02563350      -0.16004195       2.89737093 
O       4.33805999       6.54180903       3.95275154      -1.88187326      -0.01379667       2.19828936 
O       3.74642381       1.73560231       1.10537180      -0.38474022      -1.28987696       2.14485210 
O       8.66437198       1.18090616       3.62029469      -0.31122528      -0.26676542       5.80138825 
O       1.61065430       8.88698763       6.09440483      -2.55574570       3.39968073       0.44458802 
O       6.43837106       1.29057655       3.70179520      -2.65431298       1.32685938       1.02432374 
O       6.08318130       9.78712144       8.62347540      -1.16958047      -1.45521109       1.98341512 
O       1.49126719       1.07440619       6.31377806      -2.66422562      -0.34092959       0.79648440 
O       3.38047166       3.26516574       8.53411070       1.94413066      -1.02881347      -2.04509621 
O       0.79500230       8.77820153       8.86003759       1.37509497       1.25276892      -0.83231762 
O       0.96228943       3.19925820       1.16617279      -0.11646968       0.39597423       1.16493375 
O       4.13875884       9.20827653       6.64591988      -2.20712100       1.88187414      -2.82932757 
O       8.69395835      10.05371460       8.89193982      -0.22491813      -2.04894064       0.80361765 
O       0.92454873       6.27068767       9.37119193       0.73350620      -0.57941792      -0.69059940 
O      10.24569517       9.73308403       3.44892176       4.31529335       5.42950384       2.59234311 
O       5.08242440       6.37405374       6.91564233      -1.90994369      -1.99645495      -4.91441356 
O       4.36348793       9.38264457       1.28302215      -3.86646368       4.10937727      -1.36688031 
O       3.50295739       8.97108407       3.57484051      -1.57160149       1.73936573       1.37068702 
O       1.06480544       3.35536848       8.95025131      -2.25428907      -0.22774689       0.74718595 
O       8.53838038       3.48451040       1.06298830      -0.88911930       0.94705822       3.33981692 
O       6.52763372       1.10295882       6.65893157      -2.30553951       0.95779848      -2.31422338 
O       6.28022332       4.60844893       8.59855413      -0.58547244      -3.82938884       0.43759070 
O       3.96157696       3.98019905       5.81564618       0.46063797      -0.06614903       0.34336319 
O       1.05195253       3.89694189       6.49846065       1.69700921      -1.78932568      -0.40700611 
O       8.82365069       4.32769635       9.39616219      -3.01360530       0.51320872      -2.74305892 
O       8.63668480       3.09253279       7.40353754      -0.85845193      -0.66522537      -1.37380367 
O       6.86605076       3.83464990       6.12958341      -4.99241715       1.34902431       1.66128362 
O       5.68089082       1.81655732       8.95151762       0.27760746       2.06185210      -0.88646677 
O       6.21660149       1.31923301       0.66398379       3.73503840       3.47507292       5.10457960 
O       9.37984800       1.78360553       9.79630354      -2.73122970       7.16845536      -4.70997405 
O       6.74492333       9.16967268       1.18714684      -0.44156939      -0.39499143      -1.48284286 
O       9.39865786       8.60317945       6.18804331       0.47682706       1.65906236      -0.70963304 
O       2.38379752       6.80882451       6.82507810      -2.26730660      -2.33733550       1.43878803 
O       8.76560200       7.15087834       8.57367660       1.68903272      -0.74486996      -3.06579296 
O       8.85499832       6.18333572       0.93428910      -1.84888414       0.76993061      -0.13064920 
O       9.99851566       5.55681496       7.18695136       0.35112984       1.51740756      -2.97420741 
O       6.58500806       8.57022024       6.47410339      -0.73770276       0.60314860       0.04051898 
O       6.36032083       6.87246832       9.19456214       0.75239447       4.22769328      -0.38196150 
O       3.67984098       5.98298481       8.70484896       1.55814637       0.54385307       1.75766670 
O       5.99247912       6.31743359       1.25992712       1.43361127       0.68269668       1.30611074 
O       8.90298689       6.01521474       4.06988182      -0.42854818       1.02052025      -1.51192985 
O       8.92652988       0.79243399       1.47088804      -0.04117627      -0.97907936       0.53788253 
O       8.56179610       8.56655885       3.22987926      -3.61895666      -0.81989854       1.19198727 
O      10.05331249       8.80047486       0.72749688      -2.02289779      -2.21507358      -0.22034466 
O       6.45075812       3.88891861       3.62193453       0.12723626       0.30281165      -0.24193367 
O       6.53361839       6.76468163       3.41765252       0.78103261      -1.65804616       0.96401132 
O       5.91170161       9.23904548       3.94784153       1.34216702      -0.05391085       0.45073936 
O       8.93355751       0.94574425       6.47670906       3.51717709      -1.69369813      -1.13319055 
O       1.25879552       6.98183090       4.31155297      -1.01573850       0.89932006      -0.46037691 
O       9.44325046       3.55203842       4.59436341      -0.06592464      -1.36368220      -0.31529324 
O       3.58847995       6.61232097       1.13202754      -1.50374390       1.41068419       0.00940673 
O       3.36827738       8.51944242       9.26524594      -0.03037749      -0.00473463       0.09315659 
O       3.19525665       0.49893223       9.47421587       3.26941551      -2.57182123      -1.96849354 
O       7.03787175       6.03140857       6.10088666       2.38559339       1.54322009      -2.37545969 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.022520418430512154 0.009313605002268176 -0.0010439127174161796 0.009313605002268176 -0.03867992750328367 -0.0165393300688463 -0.0010439127174161796 -0.0165393300688463 -0.0032358967810997537" pbc="T T T" energy=-927.34007482 free_energy=-927.34198597 config_type=crystal 
Hf      10.07286880       0.17174626      10.39942575      -0.66678283      -1.27823656      -1.14051695 
Hf       5.16940606       2.56691645       2.41952588       0.64797021      -1.53774617       2.28814801 
Hf      10.30282837       2.19844781       7.86256707      -2.85634810       3.47008680      -2.07904488 
Hf       0.17439881      10.45931439       5.34082420      -2.13848389      -1.70490011       1.48317295 
Hf       7.93689342       4.91112630       7.39268440       0.12068898       1.75940317       1.90930235 
Hf       7.39665434       7.63769752       4.90480995       1.19034256       1.58858763      -1.27160033 
Hf       6.92323661       3.02587973      10.04335055       5.79658876       1.11606702       5.07469123 
Hf       7.37784637      10.25779661       2.67002297       0.85978460       2.36163594      -0.06233445 
Hf       2.17968317       2.71774811       5.36729542       4.66011922      -3.38978600      -1.51735798 
Hf       5.08268720       2.90144394       7.32435938      -2.19233724       0.57806936      -1.08991603 
Hf       4.93699278       0.28081055       5.59488786      -2.50337358      -1.58065620      -5.70114173 
Hf       2.36282555       2.08926975      10.04090460       1.21508161       1.57506694       2.99323557 
Hf       2.71928810       0.18229724       2.44878184       0.67648741      -1.04543110       2.16707198 
Hf      10.25109123       1.68724940       2.83641032      -3.72719884       5.79174141      -2.08288710 
Hf       2.27103300      10.22911932       7.78294064       0.53340055      -1.17936390       0.69758185 
Hf       7.41992573      10.03716639       7.31546876       4.14414376      -2.48369235       3.41111281 
Hf       2.26855314       4.82277232       8.27893857      -0.72275669       2.04322586      -0.58871089 
Hf       5.40170159       5.21031864       4.97187621       0.21024013      -0.87096771      -1.77674673 
Hf       0.24698379       5.35144624       4.81941601      -3.45695800      -4.30619327       1.08628879 
Hf       3.14082833       7.57147138       5.14490364      -2.59028525       3.05050377       1.60906629 
Hf       5.19818968       5.66902592      10.17417156       0.10915234      -2.05280177       0.54505484 
Hf       4.98653454       7.88405198       2.34290136      -0.49732531      -0.94861097       0.40977151 
Hf       4.79432979       7.88306481       7.96572958       1.30076124      -1.00587821      -1.45342200 
Hf       8.05111357       7.90466987      10.06972988       2.98388980      -2.30674327       0.19185628 
Hf       7.52140464       5.04285034       2.56516085       1.94785662       2.59283555      -1.82937390 
Hf       2.50081780       4.73297085       1.97382432       0.47428699       0.29880352       0.33034225 
Hf       0.01155950       7.98711663       2.81163254      -2.11176964       1.04127492      -3.71550554 
Hf      10.28325700       4.70511276       0.06856010      -4.87804268       0.98166651       2.44779261 
Hf       7.77330095       2.15148179       5.47789008       3.16640601       4.06297928      -4.74265350 
Hf       0.37884201       7.42399268       7.51061064      -4.27208305       3.33834555       1.15486505 
Hf       5.24142775       0.05636719      10.27038860       1.18332840       1.83117279       2.17730503 
Hf       1.99226535       7.79187794       0.05807789      -1.86131858      -0.76143674       2.43769375 
O       1.75599863       8.88993136       1.77482198      -1.51863710      -2.66534328      -0.41535660 
O       0.77522599       6.21931893       1.71377002       1.21180379      -1.34313374      -0.53144100 
O       3.88160294       1.34139519       6.72662297      -2.07245435       1.44025093      -0.40048236 
O       1.39833780       1.47575231       3.77000520       4.27208471       2.57518649       3.37671680 
O       3.03541957       4.39165468       0.03443621      -0.35394266      -0.00049102       0.45488872 
O       0.94312739       0.96207885       8.87275036       3.21117073      -0.65835534       2.77669773 
O       4.31558487       4.28505413       2.87398733      -4.44666546       0.79849853      -0.25883322 
O       5.77817687       3.87116940       1.09168997       1.25646332       1.54073460      -4.07248238 
O       3.82848970       1.23999226       3.92746876       1.45971366       0.00500373       0.94408907 
O       1.74680334       4.01792112       4.12655493      -0.41527344       4.63600890      -4.26575410 
O       1.38542942       0.60798794       1.10762382      -2.43467809       2.17072028      -3.52520615 
O       4.09614968       6.75815753       3.79280812       0.64757727      -2.94389347      -0.23764208 
O       3.76142574       1.71607185       1.15870798      -0.70859592       0.55124180      -0.04965536 
O       8.63885936       1.08185321       4.01261161       1.07008542      -1.23357799      -0.34960953 
O       1.80095347       9.52072661       5.97917407      -0.69769263      -2.23381417      -0.13811597 
O       6.47320759       1.49535906       3.66730122      -1.32577512      -1.15243853       1.02913785 
O       5.58447901       9.75843735       8.43808844       2.68081018      -0.39691369       1.22054391 
O       1.13149889       1.24611163       6.55298955       1.57963158       1.29960047       0.12246816 
O       3.51555021       3.32010188       8.38866841      -2.79197871       0.01006183       0.68553093 
O       0.60576879       9.01044337       8.90424095       1.88508933       0.02149607       0.73984973 
O       1.17678331       3.10508103       1.26533564      -0.54478033       2.04241598       0.31593702 
O       3.90772752       9.44318672       6.76219476       2.03514166      -3.34398909      -1.13463325 
O       8.52298712      10.09296285       8.93601110      -1.13328699      -0.12528370       1.32448680 
O       0.67220195       6.25767400       9.28546392       1.93446734      -0.57061687       1.10348098 
O       0.15804705      10.38401375       3.43902858      -0.50428807      -8.38043933      -2.19507557 
O       5.06299610       6.58078778       6.30107534      -3.29482875       2.40811690       1.30956424 
O       3.98347570       9.71626129       1.14176341       2.42145505      -2.21174741      -0.00693443 
O       3.30588093       8.99287815       3.77553711      -0.20602526       0.89892521       0.07632188 
O       0.80817160       3.56770381       9.15583699       2.41596098       0.28513852      -1.30001533 
O       8.46374717       3.77575125       1.57631459       2.30623489      -2.18984879      -1.42648934 
O       6.42241146       1.25922107       6.56902555      -0.64576750      -2.10367663       0.38489992 
O       6.20093777       4.45665334       8.74518412      -1.66687198       1.72275646       0.18631860 
O       4.18441690       3.80754443       5.61295116      -3.33353778      -1.00652837       0.56978675 
O       1.21976371       3.89109443       6.44207295      -0.56327128       1.44747211       3.70139378 
O       8.47846244       4.11097621       9.38148858       1.21074725       3.86185449      -0.94846738 
O       8.68355725       3.17646888       7.01173409       0.54799595       0.37959117      -0.38997850 
O       6.43800401       3.80544773       6.36103013       2.91297945       1.53237059      -1.73144181 
O       5.80284874       2.19654506       8.87679962       0.02332964      -6.09991786       1.77634719 
O       6.47370432       1.39403881       1.08454019      -0.88236873      -1.53206684      -1.25356169 
O       9.35301026       2.16226679       9.50178373      -0.81998139      -4.22915663       1.89094688 
O       6.73225756       9.07343618       0.87271666      -0.92782077       0.61882380       0.74434901 
O       9.72419059       9.01298331       6.46840727      -0.13678392      -0.50769309      -2.06064346 
O       2.14397627       6.72283630       6.93083057       1.19249634      -0.90148978      -1.58697296 
O       8.72709780       7.62210864       8.11810353       0.33122495      -1.52330601       2.59489140 
O       8.77630171       6.11873404       0.64505263      -0.00781698       1.70406548      -1.49675165 
O      10.14000601       5.71425016       6.85586149      -1.80133965      -0.84544898      -2.07531927 
O       6.60172290       8.31057098       6.71764329       0.35606394       2.88672648      -1.36237450 
O       6.57146533       6.96341384       9.08086007      -4.44257314       0.28301388       0.56725583 
O       3.72017248       6.19242854       8.79347245       1.80956961      -0.41319964       0.63879977 
O       6.15287363       6.34968278       1.29611600      -0.99107119       1.66160657      -0.34735911 
O       8.90000183       6.17622561       3.80298556       3.10975553      -0.21473708      -0.27569075 
O       9.06299625       0.84879166       1.44977133      -0.94341719      -0.98819082       0.06635311 
O       8.44466708       8.58435871       3.45748206       0.56899070       2.16740828      -0.63053074 
O       9.69062695       8.70714786       0.96910628      -0.19283077       0.60202341      -1.45649535 
O       6.40982565       4.04007879       3.76338407       1.92887625      -2.76087889       0.12948854 
O       6.48048537       6.51961106       3.61862606      -2.63447836       2.91825388      -0.28617604 
O       5.78066155       9.32015602       3.85470847       1.95761576      -0.47645850      -0.48260940 
O       9.11180265       0.94062272       6.38957229      -1.38219237      -0.45615739       1.70869571 
O       0.98554418       7.11282460       4.26294020       2.53019754       0.35780649       1.85474545 
O       9.60646562       3.50254041       4.37412526       0.29238626      -0.17188125      -0.06226942 
O       3.41747742       6.75249709       1.32777196       0.80058867       0.26622927      -1.71097752 
O       3.03778859       8.40100345       9.03332573       1.43442688       2.41575303      -0.68716845 
O       3.76448554       0.68912643       9.18507956      -4.53983154       0.70819517      -0.09290062 
O       7.45231254       5.98227143       5.70190412       0.32551757      -3.64221939       3.45140760 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.030710446963975575 0.003973337475628206 0.0011713192825538452 0.003973337475628206 -0.002635937059106037 0.007023650709858118 0.0011713192825538452 0.007023650709858118 -0.014995453040628966" pbc="T T T" energy=-929.35576906 free_energy=-929.35584906 config_type=crystal 
Hf      10.13845409       0.07436800      10.13497135      -1.67734265      -2.05346509      -2.08461520 
Hf       5.28317250       2.01171688       2.95954977       1.81093996       3.15491835      -1.42202190 
Hf      10.15346639       2.79359226       8.06544577       0.92104693      -2.75792091      -7.10454722 
Hf       0.02736137      10.20043293       5.31168745      -2.79257100       0.38669186      -0.28964830 
Hf       7.52328730       5.33771616       7.03042745      -1.64941577      -1.29294748       2.02276645 
Hf       7.93387026       7.72903207       4.74913977      -0.93465397       2.89036252       0.21201386 
Hf       7.74186049       2.71064103      10.14479828      -4.01783464      -0.79374914       1.85231731 
Hf       7.87584020      10.14430668       2.11506318      -0.31887650       0.16271709       1.90679905 
Hf       2.18857703       2.48402488       5.34884487       1.45968704       3.62541821      -0.99116743 
Hf       5.02095379       2.57675426       7.70729095       0.54675365       2.15266553      -1.11690819 
Hf       4.90484281       9.94379512       5.19339919       2.30094911       0.45430650       3.33337662 
Hf       2.48733084       2.68639043       0.53253187       1.84035696       3.77307981      -5.28904845 
Hf       2.46374118       0.14529409       2.31862428       1.60055153      -3.54380187       2.02137661 
Hf      10.37427306       2.26514231       2.13130379      -0.31851100       1.69062501       2.54953596 
Hf       2.50957162       0.12598678       8.45885631       1.42672807      -1.30992117      -0.00172542 
Hf       7.55536714       0.15056686       7.81284215      -2.18508432      -4.29021594      -3.92015473 
Hf       1.93344645       4.87753043       8.10929664       3.89149790       1.72841949       1.12378019 
Hf       5.01400978       5.00984193       4.76492238       2.19548046      -1.97356893       1.88081523 
Hf      10.42137117       5.33021702       4.87869123       1.27327273      -1.77580396       0.53131395 
Hf       2.19691922       7.98470197       5.12173503       1.67331076      -0.13657534      -0.72233379 
Hf       5.18395198       4.92119437       0.11305610       1.89526820       1.73121927      -2.94880973 
Hf       4.80672177       7.98579841       2.53075427       1.37342164      -3.80946353      -1.73668881 
Hf       5.01457192       7.46388031       7.74408435      -2.92684761      -1.40441436       1.95871758 
Hf       7.43931823       7.50698724      10.21276065      -1.46842219       1.46805069      -4.06457996 
Hf       7.73929355       5.04231865       2.68941087      -2.06396079      -0.72330833      -1.73725949 
Hf       2.68908893       5.49516569       2.68412942      -0.75008867      -3.46452984      -3.29376907 
Hf       0.14071345       7.76698220       2.24334205       0.82034160       1.13088565       0.32078019 
Hf      10.19492227       5.05569540       0.05168555      -2.05382174       3.41510204       2.59599565 
Hf       8.52555270       2.33444195       4.83642045      -2.57830422       3.07695437       0.57773469 
Hf      10.08696698       7.66927593       7.62763793      -1.59232745      -1.60928830       0.69142244 
Hf       5.37032967       0.18359421       0.01010302      -1.05045665       0.02491710      -0.81834590 
Hf       2.24519195       7.59041636      10.09118643       2.74019279      -1.02991099       0.67284996 
O       1.78437113       8.80742421       1.33911805      -1.43557893       1.62558280       0.53585406 
O       1.16270397       6.22518524       1.12960357      -2.53930634       0.75193761      -0.68668991 
O       3.64058509       1.21317722       7.32690601      -2.98552788      -2.40908133      -4.53364018 
O       1.48204542       1.52307418       3.61828382       0.18678711      -1.08286704      -1.71689301 
O       3.39302168       4.44700894       0.75630834       1.01857777       0.21490728       0.31893896 
O       0.81899417       1.30427136       8.78550976       0.60317174      -1.48250776       0.39344254 
O       3.99150767       4.06993080       3.31062610       1.60957180      -2.53537149      -0.72887112 
O       6.83324550       4.28163639       1.04379559       0.10150972      -1.62675416      -1.15337752 
O       4.11756552       0.88096413       3.96101942      -2.42535099       0.35851328       0.99558447 
O       1.83024072       4.30897222       4.30268894      -2.09987401       0.36922890       1.45072378 
O       1.26543318       1.08059245       0.90838871      -2.28082558      -0.66691413       0.94647569 
O       3.95105644       6.46353264       3.83316275      -0.10682735       2.53523040       2.83548764 
O       3.69434274       1.59744240       1.49609881       1.93672094      -0.84238656       2.58513899 
O       9.00603207       1.23889822       3.27150564       0.76508983      -0.96555509       0.47268042 
O       1.25976259       9.23186483       6.48988904       0.64401586      -0.98257156       0.28716432 
O       6.49347528       0.48352190       3.40591980      -0.35841372       0.67625750       1.27114554 
O       6.08149949       8.84884440       8.63374704       2.74420653       1.27498206      -1.69150813 
O       0.28641573       1.69886563       5.75482437       2.02036317      -0.04201324       0.16956511 
O       3.62433548       3.90193636       8.64368522      -0.80992031      -1.47365828      -0.13671498 
O       1.22262872       9.11948212       9.27066230      -2.36234501       0.10653202      -0.23911619 
O       1.47066500       3.76411535       1.80107749      -3.39546160      -1.87317007       0.63188908 
O       3.81874839       8.54080184       6.50652465      -1.25982990       0.96305463      -1.57021045 
O       8.92704461       9.43554336       8.99008002       0.99632567      -1.60007560       0.80924812 
O       0.53695374       6.14539396       9.01474487       2.20498789       3.09080944       1.08424378 
O       1.07968607       9.16045437       3.81344548       1.12750431       0.80426897       0.61575176 
O       4.82226774       5.65327994       6.68074334       1.13303935       2.48462884      -1.19392453 
O       4.32313623       9.52679052       1.44789620      -0.08868872       2.59514134       0.31892507 
O       3.43595864       9.02522918       3.90487799       1.61002597      -0.26418164      -0.17950172 
O       0.81337644       3.86052224       9.52335719       4.95813481      -3.41785145      -0.63234013 
O       9.22437752       3.63311725       1.32318358      -0.32075572       1.68188991      -0.89006053 
O       5.99279583       0.80572638       6.53956613      -0.40183263      -1.68025193      -1.15437748 
O       5.76096531       3.10941320       9.50087966       0.83063399       4.23985575       2.38727076 
O       4.07441986       3.31697291       5.94977702      -1.28822788      -0.38595150      -1.71977379 
O       1.27964733       3.80771346       6.66213412      -1.06262905      -3.74891171       0.10774111 
O       9.18669742       3.76829639       9.23557342      -5.86640749       2.39253099       1.87649998 
O       8.95529644       4.14924095       6.52165877       3.15480580      -1.44698990      -1.18523864 
O       6.48688765       3.63588012       6.70676639       0.69556703       0.18352159       0.98554154 
O       6.53171292       1.21599211       9.10952458      -1.16118735      -2.26594850      -0.27252742 
O       6.35772741       1.69843767       1.09433541      -1.10308551      -1.57064523       1.55250725 
O       8.71821942       1.33896975       8.57157477       5.01411529       4.63803024       5.63553422 
O       7.01629484       9.65041026       0.33850339       0.65953983      -0.57546853       2.25115295 
O       9.08148500       9.14083014       6.55402215      -0.27416743       0.24198185      -0.17986917 
O       0.85663419       6.02360089       6.65260695       1.34643244       3.66567941      -1.87106531 
O       8.74906300       6.35434788       8.66212248      -0.32427306       2.62071594      -2.03426047 
O       8.43831912       6.35191156       0.81337058       2.14769400      -2.24447783       1.00558745 
O       9.20145204       6.72496952       5.96092279       1.17922640       0.00426362       0.58724332 
O       6.12921479       8.36501835       5.52646916       0.70041103       0.21233138       1.06259908 
O       6.41223413       5.79508983       8.99209256      -0.45017488       0.76056511      -1.25398563 
O       3.32633001       6.24557486       8.65966972      -0.65861609       3.30366817       1.09669411 
O       5.60572163       7.35689670       0.20849183      -0.24749172      -1.62767427       2.36781606 
O       9.22433555       6.37196207       2.97023178       1.04570057       0.59577572       3.77441991 
O       8.89387952       1.32070560       0.87261346       1.76825222      -2.05379712      -1.50783983 
O       9.32733269       9.17259924       4.09454239      -2.55251064      -1.08557492      -2.12555241 
O       9.42027506       8.99535760       1.15364014       0.27291444       1.43081938       0.11228409 
O       6.61956285       3.61836169       3.94142397       0.65507289      -2.14844465      -0.89417757 
O       6.02757229       6.00586288       2.53579249       0.07290259       0.84505602       1.17398601 
O       6.92483982       8.55748287       3.26631524      -0.78127260       0.17241665      -3.93000112 
O       8.69795728       1.42944157       6.44335202      -1.71278749      -2.30566315      -0.40883708 
O       1.33168391       6.75035424       3.55702672      -0.84956367      -0.36066842       3.70077971 
O       9.61080993       3.70955076       3.76822626       0.22015466       0.78980570       1.09259948 
O       3.40824027       7.00851259       1.42411762       0.97722325      -0.06371723       0.16826258 
O       3.78894745       8.70661659       9.34773414      -1.69654143       1.95755631      -0.69636861 
O       3.49266608       1.40169819       9.51655489       0.34154251      -1.60359910       2.78746324 
O       7.18902932       5.85176273       5.11495366      -1.32131893      -0.18932167      -1.69249616 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02952169468456146 0.0021320757934255334 -0.0017777366758590016 0.0021320757934255334 -0.005648706586094756 0.005158222216395483 -0.0017777366758590016 0.005158222216395483 -0.020671329340371313" pbc="T T T" energy=-930.04188069 free_energy=-930.04193733 config_type=crystal 
Hf      10.13546735       0.07237315      10.09978420      -0.64591473      -1.27421188      -1.38731796 
Hf       5.27916415       2.01767152       2.94917609       1.59841864       2.47250998      -0.81822978 
Hf      10.16021708       2.77377901       8.07982958       2.20488681      -3.56045304      -8.85470907 
Hf      10.44281244      10.20655702       5.31444645      -2.64824777       0.71289106       0.07047446 
Hf       7.50208037       5.36731248       7.06108191      -0.66271071      -2.38666483       0.72945474 
Hf       7.93052159       7.73436816       4.75601240      -0.58245974       3.53431250      -0.05343656 
Hf       7.74757357       2.69260222      10.16465496      -3.25827945      -0.97966642       1.05327458 
Hf       7.91038013      10.15216355       2.11197753      -0.45612659       0.42070552       2.62455473 
Hf       2.19119285       2.46777590       5.34130795       1.44904776       3.34052746      -0.01375183 
Hf       5.03031978       2.56711332       7.72130383       0.14869968       1.98490549      -1.80688395 
Hf       4.93243329       9.92859191       5.21876633       2.28517183       0.59346416       2.97969293 
Hf       2.51139944       2.69015292       0.51984202       0.73562693       4.66609953      -4.02829128 
Hf       2.46429034       0.15659685       2.31471610       1.43280014      -3.52930012       2.43122540 
Hf      10.37328893       2.25070534       2.13516749      -0.13680913       1.72724821       2.32412527 
Hf       2.49638055       0.14531063       8.45766913       1.36461100      -2.17678121      -0.51624566 
Hf       7.53542317       0.15702262       7.79889542       0.85927630      -3.94261816      -3.64915238 
Hf       1.93769667       4.86360975       8.08326385       4.01024050       3.24483554       1.52845277 
Hf       5.01396007       5.00011852       4.76874778       2.17081936      -2.11435670       2.12147631 
Hf      10.41637199       5.32260966       4.86849517       1.56806611      -1.48827972       0.91376307 
Hf       2.19073108       7.98504673       5.12441647       1.61198732       0.25938281       0.35466507 
Hf       5.21256270       4.89910106       0.08671801       0.61455925       2.14586634      -2.43313332 
Hf       4.79563607       7.97654524       2.53499465       1.82430455      -3.82226558      -1.73586272 
Hf       5.02221162       7.46373734       7.74338908      -4.07074378      -2.32429580       1.45929568 
Hf       7.42920705       7.49758462      10.16883872      -3.36366787       2.42752092      -4.21128214 
Hf       7.72153042       5.01892324       2.71363363      -2.03876917      -0.05584169      -1.46547069 
Hf       2.70440653       5.50901897       2.72351373      -1.86974404      -4.79170812      -4.14101746 
Hf       0.15756048       7.76381680       2.26138798       0.64070002       1.86029809      -0.64024357 
Hf      10.20918666       5.07980282       0.01946399      -1.54627168       2.51760265       2.14757710 
Hf       8.52463690       2.36432117       4.82790756      -4.07984511       1.90391130       3.50511296 
Hf      10.06117072       7.68313422       7.63369556      -0.80141522      -0.90192330       0.38190547 
Hf       5.36520877       0.17465388       0.01453996      -1.62515958      -0.03170503      -0.96704068 
Hf       2.27734266       7.59446165      10.10184342       2.67547211      -0.20146776      -0.28558015 
O       1.72064161       8.83586673       1.25424764      -0.90219337       1.29377678       1.41424096 
O       1.18501864       6.20854283       1.10903623      -2.67425669       1.10437024      -0.38292702 
O       3.56933591       1.22562216       7.27081262      -1.51397818      -1.48798936      -4.23750722 
O       1.48393426       1.52158359       3.70454781       0.52406037      -1.54935733      -3.60342158 
O       3.44849809       4.48595911       0.85082157       0.18798323      -1.02103287      -0.18499351 
O       0.84533708       1.28378378       8.79147968       0.26532240      -0.94684035       0.36130826 
O       4.03357803       4.02264556       3.29235881       1.12925471      -2.17557613      -0.18725574 
O       6.81308006       4.26320907       1.05830468       1.21186887      -1.58458790      -0.75393950 
O       4.14634066       0.82220363       3.93700378      -2.31296448       1.14833551       0.68608531 
O       1.82634677       4.29370036       4.39091084      -1.92346152       0.82769777       0.38167644 
O       1.21169291       1.05345767       0.95796019      -0.96961307       0.29763050       0.72851684 
O       3.93406163       6.45435839       3.79108298       0.73688262       2.80778785       4.45152393 
O       3.70259743       1.56624485       1.47781226       1.71522116      -0.72367969       2.35999321 
O       9.00235697       1.31640619       3.30909186       0.76306240      -2.41218278      -1.36140752 
O       1.18429878       9.20284760       6.46702646       0.83596975      -1.24010720       0.57313455 
O       6.48800115       0.50099983       3.46432403       0.14133676       0.90890113       0.62280404 
O       6.07783004       8.77343250       8.58286184       4.26619494       2.46844014      -0.62697093 
O       0.28932146       1.68748741       5.67904186       0.97220121       0.12255311       1.09954138 
O       3.61306725       3.91508536       8.65540736      -0.24353934      -1.41426526      -0.12098425 
O       1.24989548       9.14550057       9.19997013      -2.18599378      -0.94277645       0.24654107 
O       1.37942339       3.76243102       1.82819311      -1.54854674      -2.17809637      -0.13878817 
O       3.77166179       8.52101078       6.57788016      -0.86419728       1.25833341      -2.44213116 
O       8.97819010       9.44622213       9.05790821      -0.48912318      -2.30087714      -0.81876155 
O       0.44824348       6.19391349       8.97006655       3.16485360       2.21832232       1.48772527 
O       1.11857711       9.18959310       3.87880407       0.37365273       0.38521181      -0.55394343 
O       4.84405209       5.63293417       6.72898341       1.25614827       1.92651767      -2.19971577 
O       4.32072733       9.49366678       1.46082803      -0.40818369       3.17491229      -0.11432480 
O       3.49074783       9.06205911       3.96062757       0.93787967      -1.35332436      -0.42297601 
O       0.90681365       3.89915507       9.51703487       3.22794284      -3.18103570       0.14916212 
O       9.30255532       3.64705352       1.29523820      -1.48281094       1.68626774      -0.94755987 
O       6.08263528       0.72844082       6.56523867      -2.06141292      -1.05559907      -1.75363825 
O       5.70934277       3.11709382       9.54329833       1.16521302       3.48693935       1.84207132 
O       4.06383477       3.27038838       5.90073283      -0.32402347       0.07220384      -1.15067574 
O       1.28479827       3.77944582       6.70141011      -1.29453992      -4.00843795      -0.45128648 
O       9.20158936       3.72579838       9.18673112      -6.36913031       4.62934238       4.67040632 
O       8.90895022       3.98949931       6.60926348       2.62396806       0.91953399      -1.14662991 
O       6.53763647       3.64434612       6.66305829      -0.79224244      -0.17490673       1.68968480 
O       6.51978961       1.22229862       9.01974803      -2.18615430      -1.17677941       1.30006644 
O       6.33622209       1.68136970       1.04763355      -0.97247136      -1.17591131       2.04704467 
O       8.74454202       1.39535651       8.58316096       3.20339428       2.39928957       5.32876329 
O       6.99168619       9.71211552       0.36920536       0.98795627      -1.53894940       1.42867871 
O       8.98066630       9.16279911       6.54632687      -0.09770750      -0.13698588       0.05602527 
O       0.87695777       6.05126797       6.67227419       0.98854078       3.22969777      -2.61701181 
O       8.74918525       6.41926333       8.63835342      -1.66851149       2.03542065      -1.83878342 
O       8.45925152       6.43391047       0.76403846       2.74322505      -2.95557000       2.26433989 
O       9.21060264       6.75390051       5.96283947       1.14858747      -0.72916774       0.41604677 
O       6.18482966       8.34658088       5.49266239      -0.66449397       0.52737085       1.48030120 
O       6.36413262       5.81487524       8.93124145       0.17901810       0.63638647      -0.62248158 
O       3.32348592       6.32227086       8.60735170      -1.16104510       2.46446209       1.45881848 
O       5.52761259       7.36904325       0.22568037       1.53423130      -1.65947197       1.80426755 
O       9.33239132       6.36071572       3.00345108      -0.70763307      -0.48992316       3.00847827 
O       8.89251923       1.30357327       0.80721960       1.35462724      -1.28415878      -0.32124211 
O       9.25092975       9.25323378       4.08334596      -1.64087305      -1.18330933      -2.65157511 
O       9.44512433       9.11213077       1.09344034       0.66004617      -0.02468092       1.67864543 
O       6.68643904       3.62191486       4.02337401       0.30992026      -1.81530183      -1.66693799 
O       5.91601149       5.92784573       2.51370273       1.40392442       0.73246652       1.33488906 
O       6.93310655       8.59919047       3.24340944      -0.76955781      -0.50474982      -3.89013645 
O       8.64185028       1.44724939       6.47837538      -0.87416777      -2.40841039      -1.16308635 
O       1.28140083       6.73159662       3.63737281      -0.37741676      -0.28575380       2.66926662 
O       9.50294893       3.67692510       3.80587193       1.86616233       3.12252404      -0.00333112 
O       3.39733135       6.96705084       1.45662376       0.55987812       0.88316762      -0.06431899 
O       3.83518493       8.76988279       9.31760666      -2.10934722       1.94701512       0.07051106 
O       3.41160578       1.43982341       9.50362704       0.97993691      -0.98076984       2.93392941 
O       7.18387283       5.88599108       5.08725738      -1.14129764      -0.79848036      -1.24748256 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0029255736971492826 -0.007225269617415703 -0.008965833169396352 -0.007225269617415703 -0.006264672439788981 0.003531207731127068 -0.008965833169396352 0.003531207731127068 -0.03412940982292981" pbc="T T T" energy=-934.46872561 free_energy=-934.46905305 config_type=crystal 
Hf      10.26949876       0.15077848      10.46308327       1.45149854      -1.71745162       2.01800622 
Hf       5.01122085       2.88969050       2.59673989       2.49447044      -3.10215549       0.14139545 
Hf      10.20153942       2.62668432       8.40899450       1.21794628      -0.19491912      -1.13888002 
Hf      10.39516119      10.22670372       5.28745150      -0.75260489      -0.55119077      -2.55996541 
Hf       7.77278560       4.93796614       7.31379124      -2.71996008       0.42969977       2.82459121 
Hf       7.82586608       8.09385512       5.06738489      -0.59204862      -0.72136371      -2.35179993 
Hf       7.05801259       2.47578306      10.24413696       4.77086509      -0.72804366       1.46927375 
Hf       7.37665312      10.35785599       2.50127977      -0.10971410      -0.40526014      -0.22855622 
Hf       1.95640249       2.28987467       5.17675919       2.75870045       0.00858499       4.50971369 
Hf       5.07759958       2.29275550       7.29098758      -2.52165096      -0.23791584       3.15527220 
Hf       4.98760952      10.17953832       4.99803585       0.47285840       1.30381678       0.28470490 
Hf       2.77698387       2.77738849      10.25610841      -3.20549162      -2.98796605      -6.52655668 
Hf       2.67755622      10.23616705       2.65076390      -2.81770254       2.20399202      -2.05364052 
Hf      10.33385856       2.72548818       2.50475068      -2.24577585       1.46403959       4.19186228 
Hf       2.27307475      10.33358948       7.96680027       0.69050847       0.31151063       0.10164260 
Hf       7.74224826      10.29681523       7.57027604       0.36302707       0.59073968       0.34408015 
Hf       2.73268746       5.09623842       7.47234987       0.47105451      -2.61595005       2.12379093 
Hf       5.34661484       5.11401254       4.99595757      -0.85922207       0.98163575       0.58036772 
Hf      10.26233726       5.25936346       5.10935424      -0.69507489      -2.16044390      -5.05125006 
Hf       2.40367471       7.63264308       5.19577188       1.98171018       0.53395671      -0.31066989 
Hf       5.42560555       5.39104155      10.03961412      -4.25667501      -3.19465176      -2.54736524 
Hf       4.90131780       7.63156286       2.25689338      -0.39421637       1.20122324      -0.40400353 
Hf       5.37880960       7.85449889       7.56093726      -2.92833873      -1.53904834       0.52523808 
Hf       7.90282981       7.82741393       0.15489557      -0.00308537       2.16620295      -2.30095492 
Hf       7.57987093       5.34294308       2.30958420      -0.59621766      -2.83308388       3.65108956 
Hf       2.57684919       4.91680725       2.50885971      -3.59992125       3.82107719      -1.90407719 
Hf      10.38196551       7.61172104       2.72304976      -2.16961421       2.34486004      -2.68367941 
Hf      10.01182301       5.07670912       0.15203568       4.63726624      -0.73678672       1.01417721 
Hf       8.00697112       2.53519466       5.32019762      -0.57179959      -4.04378446      -3.42972864 
Hf      10.29967459       7.39856170       7.85554938       2.94578541       3.63989203       2.08678525 
Hf       4.97919595      10.32549733      10.23397826      -1.44822836      -0.50411106       2.04346977 
Hf       2.47557384       7.54207832      10.29162849       1.41098562       0.20610496      -1.55947762 
O       0.88313283       9.82896008       1.80317764      -0.58457902      -0.85040452      -1.65420443 
O       1.47537709       6.73706719       1.32108783      -1.30709543       1.18380941      -0.10949123 
O       3.71173244       0.91891561       6.75240373       1.30460765       0.03781886      -1.48537637 
O       0.58673601       1.56586618       4.08104444      -2.68911755      -3.12350803      -0.71275324 
O       3.27255415       3.29219554       1.42066325       2.39984780       3.20543357       6.90439410 
O       0.96222873       1.19399038       9.08142713      -1.13405420      -0.55810784       0.34979963 
O       4.22419589       4.54581908       3.44070904       1.23985714      -2.48825397       0.78416228 
O       6.26721655       3.67403465       1.17750046      -2.44991317       0.85142071       0.94767363 
O       3.15834184       1.10525573       4.13771787       1.55492312       0.63689864      -0.57297573 
O       1.43680977       3.73980812       3.97715527       2.24225157      -0.35968203       1.20989530 
O       0.52973907       2.02887674       0.98380030       2.27165612      -3.07663489      -3.05049715 
O       3.50301956       6.99441420       3.43518267      -3.75732932      -1.05753102       1.89989250 
O       3.72420993       0.97539552       1.24021686       0.95266798      -0.26778974      -0.07443480 
O       8.49712817       0.49417555       4.79883664       0.24381246       2.55500758       0.90334943 
O       1.13950815       8.58670503       6.53974866      -0.78924386      -1.32168697       1.96217239 
O       6.11511692       0.92717523       3.84137725      -1.53142206       2.33622939      -1.57540447 
O       6.58648851       8.58927281       8.97987788       0.34364455       1.37784135      -1.27512444 
O       0.99816348       0.72710670       6.59544234       1.07686146       1.19964951      -0.46226794 
O       3.99454748       3.98493971       9.09172482      -1.55931100      -0.35086832       0.19623857 
O       1.34452406       9.15106315       9.42488929      -0.26947945      -1.77373064       0.77007693 
O       0.50715940       4.83247406       2.52629085      -1.55956357       1.50176391      -3.49485511 
O       3.96360039       8.74694046       5.92466725      -0.00258914      -0.37512762       0.00111507 
O       9.17859773       9.29040585       9.10052072      -0.68686825       0.00611525      -1.04140671 
O       1.32509586       5.92325326       8.72636747       0.66091949       3.39326339      -1.32852580 
O       1.55031676       9.26294986       4.17651220       0.41003500       0.31303628       0.14893688 
O       3.82537307       6.30772179       6.26627920       1.24383894      -0.26140607      -0.56610195 
O       3.75090868       8.78475076       0.78765628      -1.30185310      -0.14122092      -0.09958665 
O       4.15012858       9.35012263       3.35172184       2.70247600      -1.80190937       0.06925671 
O       1.27011618       4.03249425      10.26830258      -1.56201811       0.38788881      -0.22811293 
O       8.85461002       4.16942554       1.27371686      -2.38615992      -3.00935280       1.34100120 
O       6.46259319       1.25630906       6.40263369       0.35733344      -1.40048294       0.73366330 
O       6.30888647       3.64113268       8.87956898       0.24345544      -0.38083264      -0.92173087 
O       3.40135403       3.68072014       5.97790336       3.52321066      -0.28511156       0.07197162 
O       1.64581853       3.32961294       7.61732757      -2.51766373      -0.96912027       0.46693604 
O       8.72772409       4.05595947       9.15630148       1.73252292       0.69781922      -1.50995780 
O       9.20231236       3.78703947       6.34332561       0.18823601       2.27622521       0.75671796 
O       6.17153079       3.55719135       6.26086294       2.78527011       4.24486306      -0.76659173 
O       6.14668099       1.15917833       9.13734102      -1.05204957      -1.97988817      -3.35289492 
O       6.40678187       0.92787834       1.03248100      -2.07943020       0.16442683      -0.92854819 
O       8.99224662       1.58785012       9.94852741      -1.45778604       0.44633079      -1.32004946 
O       6.26184938       8.82595001       0.96967480      -0.25819749       0.08545838       0.81033308 
O       8.90311301       9.12890809       6.47674140       1.48719261      -0.92610760       1.43847981 
O       1.40337759       5.29964106       6.02183199       0.07375623       1.90589002       0.63887005 
O       9.32871810       6.42416089       6.52154228      -1.96431499      -1.16630791      -0.01820348 
O       9.69959177       6.59809919       9.55004212      -3.53402398       3.54040286      -1.31239631 
O       8.51670562       6.64589299       3.62587987       1.07079188      -1.20976074       4.27268699 
O       6.45586510       9.18533231       6.30919303      -0.24073247       0.31984510       0.96656273 
O       6.39047050       5.91130547       8.42884501       2.52871619       2.01138274      -1.18255933 
O       4.28415403       6.68264997       8.98852359      -2.17181399      -0.24315053       1.25473197 
O       6.72056231       6.17329602       0.72116420      -0.31425575       1.63924758       0.68963622 
O       8.78304100       6.60753876       1.56096413       4.42444353       1.71148809      -3.65382083 
O       8.47601272       1.33027809       2.28010531       4.06330246       3.07325691      -0.37505876 
O       9.35749147       8.91338580       3.99282045       0.93855715      -1.06920220      -0.87180636 
O       8.82644810       9.08225689       1.21354134       1.09418889       1.73397933       1.13982121 
O       6.65565921       3.68092057       3.81078696      -1.83646198       1.16960188       0.09064910 
O       5.91270585       6.55847939       3.51438889       1.96888894      -3.50380237       0.32257551 
O       6.60020007       8.94144641       3.73640347      -0.35095236      -0.98007507       1.53553409 
O       8.99076639       1.61734764       7.09135131      -1.01386125      -1.47196777       1.31540833 
O       0.79627373       6.89612549       4.20827387      -0.58591154      -2.11739286       1.31269221 
O       9.13166740       3.63727589       3.82038478      -1.77859031       1.21632331       3.59600589 
O       3.85184816       5.99267400       1.15421944       1.85701572       0.46152453      -1.59719078 
O       3.78892694       8.96006777       8.44579627       1.22858627       1.22395735       0.57364936 
O       3.32860619       1.09349434       9.20366993       2.34496773      -0.60401297       0.64760517 
O       6.61224227       6.46804964       6.08209711       1.05105451      -0.73343473      -0.50089347 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007734941422258457 0.01046953780390602 0.01282541846088084 0.01046953780390602 -0.005404771070542887 -0.0007227235780171485 0.01282541846088084 -0.0007227235780171485 -0.029419984643430895" pbc="T T T" energy=-936.16481507 free_energy=-936.16481863 config_type=crystal 
Hf      10.29016019       0.08739947      10.41262091       2.31272508      -1.35423513       1.83027571 
Hf       5.06597687       2.83280116       2.74335314       0.61840140      -3.87345567      -2.10804788 
Hf      10.08373972       2.64272952       8.35961716       1.03631944       1.03052892      -0.19080733 
Hf      10.44340671      10.17048129       5.24531510      -1.42783258       0.15650467      -1.54593495 
Hf       7.61031501       5.03677816       7.31707867       2.89173140       1.56846222       3.75706399 
Hf       7.88619399       8.07604887       5.16066238      -0.02305839      -2.13133468      -1.08739034 
Hf       7.24816021       2.55571877      10.19483729      -1.25596602       0.89085627       2.14975188 
Hf       7.41962817      10.31828643       2.50179073       2.05158119       1.11857717      -0.62158435 
Hf       1.93103106       2.28399560       5.32978236       1.95628574       0.53992171       0.76678847 
Hf       5.08950792       2.37818638       7.39324801       1.08227830      -0.24753419       0.98262605 
Hf       4.93787194      10.21735458       4.87513367       1.39485773      -1.70023408       3.62215420 
Hf       2.70706410       2.80307506      10.16750397      -2.21547009      -0.72067253      -0.10019167 
Hf       2.66386811      10.35694219       2.75537326      -3.59016950      -2.10556931      -0.27504423 
Hf      10.32501651       2.82678404       2.45598551      -1.15523069      -1.77114597       0.92506914 
Hf       2.35288727      10.36617578       7.96725534      -0.22951704       0.70398151       1.85503929 
Hf       7.70173099      10.33020136       7.62279281      -0.22863786      -0.60518352       0.33769229 
Hf       2.76748569       4.99484732       7.40531428      -0.06583477       1.84613007      -0.97992258 
Hf       5.39337248       5.07634458       4.96437854      -2.34238195       1.02021549       3.43399045 
Hf      10.10681602       5.26661801       5.16537625      -1.10932127      -2.07126920      -2.28120397 
Hf       2.45752635       7.65600625       5.13309975       1.52527072      -2.45316821       2.26666454 
Hf       5.38786025       5.37672400      10.05078009      -0.87826842      -1.28217318      -0.76711093 
Hf       4.86987566       7.73454797       2.18804347       0.95684523      -3.49632230      -0.22935196 
Hf       5.38526076       7.82955385       7.61273647      -2.26072071       0.39364449      -1.71383284 
Hf       7.98614076       7.80286253       0.07219689       0.05300230       3.28279385      -0.10727339 
Hf       7.48266107       5.24508715       2.38609307       0.66308485      -0.70295339       1.62704626 
Hf       2.56937088       4.94753162       2.48531453      -2.15086475       3.91158466       2.29216666 
Hf      10.42420688       7.56435939       2.65790897      -1.74014247       0.66026064      -2.69566155 
Hf      10.07639392       5.04816696       0.12866267      -2.71768171       4.13951710       0.89491385 
Hf       7.93075248       2.44001012       5.19981811      -1.56782958       1.35633046      -0.45744238 
Hf      10.31065092       7.37418948       7.82718483      -0.87150792       2.00295130       2.14749628 
Hf       4.95039329      10.34659143      10.37542947      -0.07358399       0.27507383      -1.89260298 
Hf       2.64979484       7.42173523      10.23043670      -2.69138247       0.68489554      -1.55599690 
O       0.83567970       9.81389314       1.91616812       0.93357219      -1.29882698      -0.55258550 
O       1.22080918       6.74008251       1.04394892       0.86669535       1.13998803      -0.74996532 
O       3.87126223       0.90341496       6.75028370      -0.09979736       0.94790896       0.73911032 
O       0.43193181       1.42396241       4.02508397       1.25376137      -0.58208754       0.66582233 
O       3.39659620       3.60490655       1.50220175      -0.42707507      -3.09661506      -4.72342123 
O       1.03485421       1.46155543       9.08258940       0.07183445      -1.80868463      -0.79985218 
O       4.17497252       4.17545731       3.55166478      -2.48469671       1.68367705       2.04749505 
O       5.80045177       3.97072180       1.38276629       1.97399001       0.70335788      -3.38240889 
O       3.33476001       0.96452846       4.48861627      -0.83323702       0.76465905      -2.32923179 
O       1.74403806       3.45584368       3.74211623      -0.91910398       0.24423735      -0.29891050 
O       0.45984181       1.70433349       0.79083403       2.08208936       3.64151663       4.24154217 
O       3.12662727       6.70362915       3.51514748      -0.59109961      -0.53868401      -0.87327194 
O       3.69149698       1.05919995       1.70147255       2.06368174       1.07433333      -1.35139723 
O       8.67869413       0.71588536       5.18732503       0.80810197      -2.19674936      -1.38168003 
O       1.27603921       8.02293448       6.81630522       2.68796757       3.32728787      -2.38581218 
O       6.29501907       0.97859556       3.92574519      -0.79057211       1.78071648      -0.91667238 
O       6.68675502       9.00350909       8.78875313      -0.86691556      -2.40159376       1.68769361 
O       0.91856908       0.90029760       6.54517852       1.32496450      -1.38457913      -0.39711650 
O       3.86294746       3.92205941       8.86373843       0.01968277      -0.44982774       1.75076774 
O       1.26137010       9.27780318       9.45796050       1.16584139       0.01094368      -0.33777469 
O       0.42937052       4.97440641       2.28200472      -0.62250360      -2.51237247      -0.61499009 
O       4.06356034       8.71851635       5.95036836      -0.53194568       0.61888344       0.21367390 
O       9.24886906       9.32639492       9.26256868      -2.53517661       0.52431041      -0.89577217 
O       1.29537227       6.23817965       8.56270404       1.58772017      -0.55810008       1.19946852 
O       1.70634593       9.27633310       4.36796914      -1.34631260       1.15540000      -0.15657115 
O       4.14696947       6.34208348       6.22509460      -0.75447936      -0.32135452       1.22833710 
O       3.64139413       8.78596536       0.72318030      -0.34866149       1.70044950       1.63214332 
O       4.20651963       8.99477034       3.44238216      -2.67527534       3.47090979      -0.55326333 
O       1.04242965       4.02132158      10.04097420       2.40637266      -2.04410752      -0.58700142 
O       8.48710333       3.68525640       1.21333149       0.77457726       2.13426414       0.15289324 
O       6.70267662       1.38432178       6.76430632      -1.35120369       1.65867808      -3.94367001 
O       6.32296268       3.67355749       8.81464547      -0.45176452      -0.36277200       1.06228658 
O       3.74749261       3.91781704       5.89414676       0.97891278      -2.78213926       1.54485682 
O       1.72636808       3.29666628       7.49907364      -1.70471329      -1.13311459      -1.36010489 
O       8.72070871       4.35200316       9.14035099       1.72232000      -1.12586893      -0.87123860 
O       8.80516529       3.96963509       6.17133727       4.27115073      -2.47047687       1.41755235 
O       6.61469356       3.88804615       6.33095739      -6.11760796      -4.17906972      -2.93606374 
O       5.96838750       0.93383372       8.74202940      -0.14010145       0.42309943       2.90415749 
O       6.32867251       1.07824467       0.85101258       0.03134865      -0.23326247       1.22276106 
O       8.92088535       1.84240841       9.94399136       2.07605064      -2.47374223      -1.98316928 
O       6.02449700       8.88353284       0.94177432       1.25826325       0.80421717       1.24767657 
O       9.12762776       9.01298299       6.58862529       0.37920069      -0.13394558      -0.44179275 
O       1.46618808       5.40900490       5.94853552      -0.22322814      -0.21735524      -0.12510349 
O       9.22570181       6.21805859       6.67150629       0.20963629       1.43451092       0.19838165 
O       9.34742466       6.87848492       9.48941101      -0.12416976      -1.84286201      -0.54944112 
O       8.51032825       6.34265002       3.89513825      -0.38559823      -0.24818957      -0.22726592 
O       6.49754894       9.10717523       6.34402674       0.38771772       1.14408802       0.95729961 
O       6.30433912       6.03416966       8.30304380      -1.53628899       3.11054622       3.86690971 
O       4.15313804       6.62775475       9.06138571      -0.74682956       0.07825689      -0.14063576 
O       6.62419017       6.41123105       0.88306197      -0.62947615      -0.19275756      -1.20636011 
O       9.09166830       6.57866932       1.25059200      -0.53213593      -1.52487092       2.94479111 
O       8.76707962       1.29946549       2.18380319      -1.18427510      -1.17510910       1.22680464 
O       9.19088516       8.82584357       3.68596706       0.70070678       1.45478768       3.85992125 
O       8.63668825       8.94816226       1.60015147      -0.42076414       0.46617656      -3.21420037 
O       6.49745746       3.86195914       3.77584555       2.68382993      -2.64658777       0.24536430 
O       5.65003175       6.03374054       3.31612253       1.80213103       3.46798935      -2.56264946 
O       6.47004460       8.85021757       4.04544513       0.57535408       0.59277767      -2.93328568 
O       8.97348062       1.46998166       7.36805597       0.75564792       0.61025422       1.14859542 
O       0.45220745       6.83403402       4.37970876       1.52570959       2.48046257      -1.04298530 
O       9.07497335       3.76545282       3.93788462       1.13529903      -1.25091416      -1.49885930 
O       3.83177253       6.27742738       1.06869479       0.81206966      -1.16982817      -0.62077025 
O       3.79852539       9.18138917       8.51474216       1.86081088      -1.30587804       0.77911987 
O       3.47166816       1.11770099       9.48053013       0.02037638      -0.25295801      -0.28324194 
O       6.76096749       6.36359906       6.01224768       0.19663527       2.19059771      -1.38016208 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03755710228748334 0.004795592496015531 -0.01127668407805043 0.004795592496015531 -0.0019239485210193876 0.004515280940991247 -0.01127668407805043 0.004515280940991247 0.003400848969621914" pbc="T T T" energy=-932.2621011 free_energy=-932.26494344 config_type=crystal 
Hf       0.22203332      10.31293977       0.09943717      -0.97728998      -1.92707412       2.13968406 
Hf       5.31326680       2.68309075       2.95485411      -0.08469061      -0.31312131      -2.38283583 
Hf       0.04437062       2.26768874       7.78003962      -1.31035024       0.22892302      -1.44441270 
Hf      10.29448137      10.37471202       5.01454649      -1.12872635      -1.28559824      -1.46247732 
Hf       7.55526625       5.06810622       7.94704804      -7.65380919      -2.33750621      -1.87070561 
Hf       7.79056579       8.04400116       4.81110470      -0.28374931       0.98544036      -0.73889914 
Hf       8.23236366       2.22745143      10.41442517      -1.84261166      -1.81973006       0.02137636 
Hf       7.59626225      10.29523881       2.41195432       2.99939301      -3.04089438       0.37194559 
Hf       2.35486350       2.54663306       5.32346957       1.21126971      -1.22465137      -0.12073464 
Hf       4.83802209       2.53280135       7.56895803       4.43491884       1.15004847       0.18640807 
Hf       4.80322103      10.43432864       5.11300444       0.36218347      -0.23330606       1.66645500 
Hf       2.25192591       2.68836331      10.10490437       0.38807591      -3.19691355       2.71718472 
Hf       2.20442150       0.09992720       2.74185260       3.06368447       0.02733938      -1.84248890 
Hf       0.05208138       2.66469724       2.39365259       0.30294921      -0.64391847       0.66040369 
Hf       2.28952092      10.01512028       7.40900372       0.44210597       0.94998744       0.58325793 
Hf       7.30290367      10.11712031       7.83872800      -0.93528961       1.31248900      -0.97946656 
Hf       2.28184553       5.26316154       7.65845576       4.57646201       0.80576704       2.80232598 
Hf       5.01396530       5.09437910       5.26885380       3.03781776      -1.02334232       1.50828396 
Hf      10.41118599       5.33092726       5.53659039      -2.05905976      -1.08190217      -5.41342158 
Hf       2.17475809       7.56390338       4.85780185       6.36659237       2.75262781      -2.18777150 
Hf       4.79167870       5.42398276      10.31069205       2.20147872      -4.05226092      -4.53969024 
Hf       5.15591188       7.59808075       2.37777663       1.24337005       2.08420767      -0.64382956 
Hf       4.96130283       7.73184350       7.39648562       2.09268152       0.67533003       0.71890042 
Hf       7.83000306       7.56074049      10.21251533      -1.22670281       3.03548379       0.48845159 
Hf       7.54099810       4.75921663       2.16963897       1.66473273       4.21984386       1.90839316 
Hf       2.83922437       4.95426076       2.75197530       0.08937187      -1.56636928      -2.33263906 
Hf      10.30987537       7.55309200       2.60689619      -2.33072980       1.49293810      -2.41048359 
Hf      10.19056017       5.48124931      10.27142643       2.34727764      -1.27216297       0.93664020 
Hf       8.17608303       2.61261837       5.00182492      -2.98180202      -0.30905631       1.04796478 
Hf      10.20175482       7.85090626       7.45864930      -1.09104872       3.00169110       1.17424745 
Hf       5.01608805       0.15805406       0.12509485       0.39243432       1.63427159      -0.99816948 
Hf       2.53648001       7.65889900      10.26161750       0.07235648       2.50411548       0.04065267 
O       1.77260671       9.15792845       0.84914730       0.03956539       1.09128076       0.90568505 
O       0.93547272       6.84022667       0.78717368      -1.40015322      -2.19301507       0.80549563 
O       1.10307301       0.90857846       6.06211724      -0.23103485       1.83580149       2.68019644 
O       1.27696369       1.58068224       3.90271484      -2.13109527       0.51458283      -2.29992557 
O       4.19917079       3.76071143       1.43699649       0.05003456       0.62560535       2.18480415 
O       1.79131431       1.32435286       8.44165762       0.72830798       1.22826409       1.40523969 
O       3.85510483       3.61686041       4.07330615      -0.03416828       0.95495871       0.49816151 
O       6.63738062       3.39230945       1.28721962       0.69948068      -1.90603764      -1.79786932 
O       3.51289368       1.12748280       3.97522865       3.04761378       0.39600943       0.15317220 
O       1.42500087       4.32587681       4.06321517      -1.57280192      -1.62442308       2.83695050 
O       1.22431347       1.39444396       1.30906080      -2.09161555      -1.59842533      -1.65784801 
O       1.34409714       6.57652594       3.42242626       3.19608005      -0.38533305      -0.83987766 
O       3.41137416       0.94306334       1.18401902       2.83420806      -0.34785675      -0.66605749 
O       1.32997635       3.73731465       6.97552156      -1.80317052      -0.82145213      -3.55134851 
O       1.17543475       8.73893831       5.94338039      -1.81269935       2.63235375       3.69379416 
O       6.38170862       1.85821572       4.71280113      -2.22248062      -1.96538110      -2.30229246 
O       5.91871826       8.94747473       8.77560853       0.02797724       1.36066186       0.05682228 
O       8.86363053       1.44214178       7.06533076      -0.68316535      -0.28850187      -2.46705403 
O       3.23273905       4.15071668       9.62284941       0.71459893       3.14870245      -1.84352626 
O       3.29514973       8.79720292       8.63163705      -0.66421831       0.63766612       0.66946988 
O       1.61824868       3.68781947       1.51801545      -0.11891850       1.98526646       0.34999495 
O       3.71126585       8.85936492       6.15500183       0.90755872       0.67486547      -0.23004521 
O       0.69544780       9.38364001       8.91907888       0.56326284      -1.71851287      -3.41509662 
O       1.16596137       6.73441537       8.82620706      -0.16307668      -1.45710622      -0.06379599 
O       1.04618126       9.14051437       3.61258591      -2.83934455      -0.14842419      -0.13073738 
O       4.23862020       6.45158934       3.80998368      -0.14194775      -1.44036811      -0.30839987 
O       4.46386235       8.87610320       0.80832786      -1.09503177      -2.88416876       0.74554671 
O       3.30548301       9.02662903       3.64815006       2.10389830      -0.60633844      -0.36750321 
O       0.75421258       3.91891024       9.25108894      -0.79848829       0.29629421       0.38275176 
O       9.55807870       3.57130073       0.81010952      -0.73915177       1.66366130      -0.54695320 
O       5.58244344       0.83212141       6.99014033       4.53437308      -3.24635580      -1.49912812 
O       5.52558863       4.44200903       8.49414122       0.49893609      -0.35012928       3.26885118 
O       3.54378551       1.04769875       6.50477920      -3.18547734       1.42672023      -1.19238435 
O       3.64770849       3.81229022       6.69696354      -0.72849793       0.66316433      -2.36084417 
O       8.27650852       3.33135064       8.88561980       1.11884981       1.74543750       0.08582472 
O       8.94861523       7.10578922       6.01671245       3.06672206      -3.68131879       3.75715365 
O       9.21026270       3.86983789       6.01660727       1.93168274       2.31705526       1.87868945 
O      10.02996502       1.18726009       9.24502534      -2.95232443       0.40876814       3.74235664 
O       6.43122861       1.01984903       1.58623404      -3.25550327       1.65455387      -0.02846697 
O       9.30923642       0.80585365       1.42369113      -2.12540768       1.67402836      -0.43637087 
O       6.90072413       8.80726523       1.33059522      -0.77809137      -0.93604143      -0.41270734 
O       9.32412606       9.43303346       6.43186139      -0.10988072       1.06298248      -1.09179193 
O       1.28229978       6.49359345       6.39148907      -1.03489765      -1.24308519       0.62809728 
O       6.32065666       6.26869773       6.49718869      -0.48957605      -0.26194657      -1.43814448 
O       8.87717557       6.17324347       8.90749332       3.85100845       0.49995752       1.33743856 
O       6.72635472       3.56237170       6.91655855       0.14060922      -1.52467259      -4.31959749 
O       6.72805182       8.91865207       6.21655010      -2.05309997       0.93576495       1.64340932 
O       6.43887490       6.61271377       9.05483021       1.06144032      -0.85611657       2.05687253 
O       4.01703191       6.45890134       8.51421927      -3.01210206      -1.30496033       3.59248573 
O       5.97254634       5.89541244       1.34557078       2.12330087       1.92716649       0.70937099 
O       8.75060802       6.41338007       1.26102796       0.85839574      -2.68632498      -1.79974821 
O       9.14975079       1.27605815       3.93916736       0.32721960      -1.32209339       0.95748780 
O       9.08420245       9.19512104       3.47891224      -1.21724453      -1.47723370       2.09123748 
O       9.30354417       8.73381689       0.92182103       2.22334021       1.14834089      -1.51414809 
O       6.42279086       4.18576495       3.81913501      -0.97000374       0.66098956      -0.15082822 
O       7.45516783       6.81488800       3.42030602      -3.73571965      -0.71350204      -1.02810763 
O       6.00650247       9.31288850       3.88007749       1.36258852      -0.01222117      -2.02553468 
O       8.53471826       8.58008505       8.44933040       0.09254234      -0.57472428       2.62967343 
O       9.61006180       6.21327836       3.96107311       0.83900201      -0.61928774      -0.32021407 
O       8.74015313       3.52766264       3.15547588       1.53774783      -0.46559463       1.72597154 
O       3.73859802       6.28695706       1.28681081      -4.03929039       2.95546678      -0.49637038 
O       4.47304613       1.61750348       9.12371874      -3.00777867      -1.22297764       4.42038388 
O       6.70566598       0.89339923       9.51076091       3.31315492      -0.22727207       0.29540813 
O       3.76956803       6.14938462       6.16674752      -3.90915341       2.49502428       0.81620852 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.042920661946535876 0.003847745167397215 -0.013842567699512396 0.003847745167397215 0.005452399308908952 0.003270255908105684 -0.013842567699512396 0.003270255908105684 -0.005541297541570019" pbc="T T T" energy=-934.76160191 free_energy=-934.76162465 config_type=crystal 
Hf       0.21788828      10.32270850       0.12424667      -2.04200322      -2.39992251       1.97234808 
Hf       5.33741944       2.71177745       2.97213339      -0.01930422      -1.07349968      -1.28188867 
Hf       0.07340710       2.26390960       7.79975668      -4.66406219      -0.19960722      -0.46305538 
Hf      10.30461255      10.40567145       5.00777768      -2.76954733      -1.40193299      -0.57562467 
Hf       7.57465708       5.02968543       7.94017216      -2.75115267      -2.09113003       0.01643156 
Hf       7.72589493       8.04304089       4.83112131       3.03843333      -0.65878727      -2.16925560 
Hf       8.20919966       2.23839311      10.40785742      -1.45611822      -0.71082250      -0.46728511 
Hf       7.56745812      10.27157463       2.43841350       0.15019822      -1.13913125      -1.18872152 
Hf       2.33411886       2.53931070       5.42527974       0.63148499      -0.18170126      -1.78821410 
Hf       4.83364534       2.59329913       7.54227843       4.15726695       0.66094230      -1.00124138 
Hf       4.83494021       0.00074341       5.11629449       1.00557783      -2.44648880      -0.62315860 
Hf       2.23157292       2.70153910      10.13771727       2.07295466      -0.11116124       0.79239819 
Hf       2.24472841       0.10459407       2.68200959       3.18983574      -1.07550248      -0.45148006 
Hf       0.04452499       2.67499525       2.36580926      -0.66067383      -0.73270064       0.65503672 
Hf       2.23851703      10.00141291       7.44736036       0.68216475      -0.50598701       0.43817085 
Hf       7.26957876      10.13292668       7.77088745       0.30054989       0.05597354       0.12888132 
Hf       2.32207760       5.26413019       7.63520771       2.86110077       1.86307853       2.17019916 
Hf       5.02353413       5.14388318       5.26284086       1.27562357      -0.04266666       1.85459206 
Hf      10.42634754       5.29604226       5.54014932      -2.42878837      -1.06365599      -3.34232950 
Hf       2.20962791       7.50923318       4.80303871       3.46308200       4.41308995       0.68416060 
Hf       4.76980005       5.38234906      10.31234676       5.53449902      -2.86279381      -3.22889435 
Hf       5.17821284       7.58499235       2.39881620       3.35653578       2.58107135      -1.07726523 
Hf       4.98573932       7.72869056       7.35978673       1.41578027       2.62380288       0.27301602 
Hf       7.83434392       7.49082743      10.26769554       1.35030211       4.38022398       2.45894234 
Hf       7.60338649       4.77541820       2.15270570       0.59542379       2.96496004       0.53180855 
Hf       2.80938555       4.97875564       2.72065813       0.11075178      -2.29018714      -0.38490790 
Hf      10.30570606       7.56647817       2.60986430      -2.20388510       0.28328710      -1.37122341 
Hf      10.26318900       5.48617272      10.29736784      -1.98450883      -7.14426742      -1.68032411 
Hf       8.10108570       2.67705604       4.96595244      -1.78614821       0.07010380       4.42470854 
Hf      10.14147149       7.87025732       7.46322628      -1.26150322       1.29326579       1.28586299 
Hf       5.05053179       0.13371324       0.17007659       0.62528976      -0.59621160      -0.96496558 
Hf       2.52913295       7.58517478      10.22960412      -0.72255549       3.38228857      -0.86023295 
O       1.86402991       9.22260685       0.74728228      -0.37582410      -0.56629249       0.79222821 
O       0.68624665       6.71385756       0.68060233       6.23919275       4.95964567       4.49280476 
O       1.11451591       0.99239640       6.01840442       0.11768526       1.64892816       2.89990701 
O       1.30800309       1.62244322       3.73759829      -0.91912143       0.88302115       0.09342618 
O       4.36585800       3.67147849       1.62632147      -2.81885045       2.51051562      -0.71144043 
O       1.71213928       1.26260877       8.50415800       0.68115131       1.36000641       1.62269756 
O       3.87035471       3.88540678       4.17052689      -1.39866418      -1.92047506      -0.46553678 
O       6.66583800       3.33936084       1.10262778       2.41364522       1.02677967       0.40190963 
O       3.65013676       1.01438484       3.95266206       0.52614280       2.43754318      -1.43704563 
O       1.28328224       4.41425957       4.19745161       0.44047733      -2.34389577       0.30578131 
O       1.09812940       1.27513336       1.38924540       0.36622082      -0.38950179      -2.75966823 
O       1.51423192       6.46127895       3.23261419       1.71876931       2.22162071      -0.70850434 
O       3.46471096       0.77409240       1.12513534       0.03108672       1.36554841      -0.13577143 
O       1.29091733       3.76761483       6.89931956      -1.95321567      -1.31946837      -1.57994448 
O       1.00109915       8.76678772       6.12354943       3.14345217       0.96579189       0.83018430 
O       6.34075406       1.69085239       4.54716618      -0.34700737      -0.14483259      -0.93715233 
O       5.94362436       8.98807218       8.75286715      -0.62287556       0.03237348      -0.43143418 
O       8.89107719       1.37791835       6.78834822       0.62356633       0.33680141      -0.08091468 
O       3.32180149       4.30621731       9.51258171      -4.53460981      -1.40227638       0.27384177 
O       3.39525841       8.79522303       8.59687378      -2.26773020       2.20896474       0.42339419 
O       1.61974848       3.67152109       1.44620622       0.75466877       1.72525734       0.84907249 
O       3.76381036       8.86548556       6.06656757      -0.01738569       0.58269755       0.71039813 
O       0.51597424       9.43598043       8.90933988       1.54957735      -1.20655741      -3.52827621 
O       1.11747628       6.84547065       8.72209883       2.40378631      -1.56683913       1.36172986 
O       0.96253225       9.18768302       3.73454216      -0.84844356      -0.92819614      -1.27981556 
O       4.44008785       6.43933290       3.81145648      -2.13943751      -1.30279914       0.02802624 
O       4.54168880       8.79103048       0.96896959      -2.05901966      -0.18797246      -1.16479967 
O       3.31446249       8.98350128       3.64611501       0.89719282      -1.20799639      -0.72990660 
O       0.74868277       3.86240573       9.32841050       0.84770870      -1.11798534      -0.60054574 
O       9.50131453       3.70617028       0.83489055      -0.69035793       0.39060305       0.40146644 
O       5.38256048       0.65656126       6.80399854       6.28602945      -0.51562001       2.78242057 
O       5.39200214       4.41187966       8.70263431       3.01742083      -1.25694906      -0.37260795 
O       3.51614501       1.24634765       6.43081299      -3.95632801       1.22117698      -0.57697965 
O       3.53535321       3.87341084       6.73015312       1.55589697       0.00585017      -1.52115066 
O       8.42484127       3.25284713       8.75240371       0.28215790       1.43471939       0.89755740 
O       9.01907537       7.04903918       5.99047934       0.90042451      -3.22974300       3.24330758 
O       9.24494172       3.93943582       6.29298183      -0.56214737       0.26679111      -0.31160219 
O       9.83402760       1.25774576       9.45335432      -0.56991067       1.13558799      -0.21164901 
O       6.13990015       1.13802917       1.65181556      -0.27312278      -1.34564225       1.81288263 
O       9.26215370       0.92644625       1.44536485      -2.72814567       0.76010408       0.16496794 
O       6.78223377       8.82165698       1.28283732       2.22356081       0.30141750      -0.53648362 
O       9.27039813       9.32962887       6.25680321      -1.68996474       1.66140913      -0.29316933 
O       1.22238361       6.47439195       6.40942364      -0.46066500      -0.54304362      -0.27882932 
O       6.29498579       6.01373189       6.67921276      -1.15157764       1.87398777      -1.83512124 
O       9.21989181       6.13955079       8.85934587      -1.91161794       0.60374076      -1.50168000 
O       6.72863196       3.47880757       6.91560068      -1.19708599      -1.29875590      -2.93250077 
O       6.72491688       8.91260219       6.20573098      -2.87600365       0.24448444       2.37102243 
O       6.70071065       6.50958852       9.22155458      -1.80672225      -2.58805594      -1.04145979 
O       4.05807155       6.65029653       8.58470169      -2.26879745      -3.49927652       3.80084710 
O       6.10548655       6.00282360       1.30077649       0.31307617       0.44784745      -0.09351567 
O       8.89375769       6.32926605       1.33170976      -1.11076294      -2.14111510      -1.74297211 
O       9.01653470       1.24363188       4.13616102       0.98127651      -1.02511668      -0.72356425 
O       9.00634617       9.35708956       3.48588210      -0.71237536      -2.66792737       1.51990814 
O       9.45168925       8.60543796       1.02901554       1.17891974       2.49601030      -1.35993328 
O       6.31447616       4.47486170       3.84086797       1.01085594      -2.31942254      -1.03021136 
O       7.42566832       6.78011614       3.31594251      -2.30694664       0.33089671       0.66612495 
O       6.24773822       9.09664655       3.83600255      -1.52133762       2.02766370      -1.44091207 
O       8.45526902       8.54820113       8.45681090      -0.11947779       0.27929910       1.99645485 
O       9.63104957       6.21638526       4.00245678       1.50056883       0.55230221      -2.27923802 
O       8.75096377       3.43967288       3.22693491       0.33259167       1.06896299       0.55327409 
O       3.72063289       6.43659599       1.05262708      -4.56079905       1.04978810       2.45870517 
O       4.44823663       1.69434004       9.06493470      -2.37642239      -1.79378162       4.75085262 
O       6.79253135       0.76027042       9.64631316       2.49233499       0.70571676      -0.82521938 
O       3.55382982       6.26876869       6.09329332      -0.69948966       0.76699047       0.24144442 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.05670634374544482 -0.011053535428046112 -0.013519012903324473 -0.011053535428046112 -0.0072544182077731644 0.0007439485163657183 -0.013519012903324473 0.0007439485163657183 -0.02667558269490884" pbc="T T T" energy=-932.03210526 free_energy=-932.03233866 config_type=crystal 
Hf       0.17466340      10.29576903       0.18094113      -0.59954202      -2.90586419      -4.67286194 
Hf       5.38402281       2.75370610       2.99732114      -3.31313837      -0.41761426      -1.61193784 
Hf       0.06187900       2.25768504       7.83618000      -4.47736414       0.18767670       2.16930080 
Hf      10.28574021      10.46046599       4.99611216      -2.77183513       0.43503236       1.05551767 
Hf       7.59806495       4.90956652       7.92360626       1.89814978      -2.65473215      -1.85059984 
Hf       7.64380538       8.02725775       4.85285877       1.83586735      -1.63098881      -0.45500885 
Hf       8.13001574       2.25919625      10.38729710      -0.13107696      -0.35347630      -1.61917977 
Hf       7.51092630      10.21643889       2.47693058       1.40552902       2.81036264      -0.73861513 
Hf       2.27101511       2.56383960       5.57738063      -0.45250817       2.40935265      -5.25216007 
Hf       4.87254433       2.71718953       7.49694314       0.96631341      -3.15683213       4.64524715 
Hf       4.91124038       0.02851893       5.09874947      -0.99735507      -0.69250204      -0.47092742 
Hf       2.22566757       2.71853255      10.21343039       3.75737739      -3.32352522       0.29956931 
Hf       2.37821422       0.09687180       2.54607249       1.60035006      -1.35462432      -0.90272710 
Hf       0.01493631       2.68795251       2.31249056      -0.98106632      -0.11618366       0.12913629 
Hf       2.13704188       9.97209740       7.54279410       1.65934206       5.92078223       2.62159343 
Hf       7.21259784      10.16720798       7.64109077       4.68048931      -2.24243567       4.05441842 
Hf       2.42930204       5.29678327       7.61605352      -1.87764133       2.01801030       0.52169791 
Hf       5.05323511       5.24331606       5.26803387      -2.00568934      -2.32908680      -2.14432083 
Hf      10.41079769       5.20602834       5.51222591      -3.36286376      -1.36902492      -1.13811842 
Hf       2.32651820       7.46119960       4.69119523       0.57463775       4.73744415      -1.02984322 
Hf       4.78736621       5.26984829      10.29081087       1.71545181      -0.77806209       0.96021088 
Hf       5.27364878       7.59030384       2.43035400       0.02209224       1.22351045      -1.45635313 
Hf       5.04216815       7.76264375       7.30261187      -3.57013317       1.64430197       3.77814579 
Hf       7.86208594       7.41049003      10.42088669      -0.75746217       1.82659646      -0.45311354 
Hf       7.74146141       4.84763446       2.12274830      -0.75688478       0.39829498       0.76024283 
Hf       2.75962212       4.98316620       2.64932417       0.32499695      -0.66243302       0.76375836 
Hf      10.27940753       7.59854587       2.59601814       2.94235466       3.01255606      -3.06220665 
Hf      10.40179059       5.41082141      10.33132993       1.58147343      -0.44447741      -0.96938457 
Hf       7.92241835       2.79656812       4.96259091       1.50375993      -3.93429711       3.67658166 
Hf       9.99982738       7.92370873       7.49695622       0.02964198      -0.69774266       0.86481126 
Hf       5.13488790       0.07013432       0.24639633      -1.58401874      -0.47832509      -1.45017501 
Hf       2.48960944       7.49795009      10.13738109       0.55447131       6.46026899       2.84174642 
O       1.91879199       9.31482422       0.65715396      -1.31378320      -0.01582861       0.06554800 
O       0.96043943       6.99093513       0.97179285      -2.45890549      -3.36503598      -3.02257893 
O       0.98954928       1.23848104       6.30420086       0.35625771      -1.88766858      -1.16784510 
O       1.29953049       1.75848131       3.51503549       0.64858597      -1.76171594       2.71231190 
O       4.23797004       3.95546292       1.73365496       1.33044010      -0.11097599      -1.74097757 
O       1.63133561       1.32215350       8.87163717      -0.17451250      -0.35361322      -1.02705202 
O       3.66931963       4.05110504       4.27808269       0.96293087      -2.42204792      -0.41912564 
O       6.93902393       3.47192165       0.91817827      -2.50591606       1.46956845       2.80118572 
O       3.90958454       1.15133014       3.67164521      -0.99429904      -0.06977459       1.76414974 
O       1.16858347       4.22935803       4.29379895       0.85667789      -0.37795274      -2.34260832 
O       0.96354998       1.13380062       1.25131961       1.03990767       3.57633782       1.83551132 
O       1.93538888       6.72440937       2.90391637      -1.71871374       0.58055927       3.96276024 
O       3.43381851       0.67882601       1.06851173      -0.33128916       1.53250981       0.18860211 
O       1.04672780       3.69094991       6.66836664       1.97800595       1.16254353       2.03670201 
O       1.10326810       8.96510285       6.46502083      -2.48042369      -3.51977577      -6.02904654 
O       6.31889216       1.34763168       4.18794066       1.65845162       1.57879511       2.01199531 
O       5.84882623       9.02125851       8.65711304      -0.47934711      -0.63757507       0.68311040 
O       9.02525304       1.33823753       6.38153226      -0.53740945       1.08024619       3.80443648 
O       2.90305511       4.42804743       9.35923032       2.32110811      -0.23622637       0.95226057 
O       3.31814617       9.05330445       8.57669034       1.19646480      -2.66718532       2.00455328 
O       1.66496875       3.84320099       1.44515782      -2.28368134      -0.69087968      -0.02595123 
O       3.87324830       8.95344664       6.01465762      -0.03029515       0.68133910       0.33682570 
O       0.38476284       9.49246505       8.53608054      -0.09747503       0.67343961       2.41268516 
O       1.40744675       6.80767218       8.72634779      -0.99228906      -1.84314602      -0.62578427 
O       0.77677499       9.10454162       3.74632030       1.03328997      -0.06091369      -0.21375108 
O       4.48114435       6.33637909       3.78861714      -1.39500543       1.18764034      -0.29696068 
O       4.41835039       8.72490911       1.04820176       1.16086357       1.24913693      -1.12346854 
O       3.41800115       8.75992064       3.53346395       0.23898442       1.61781428       0.05441922 
O       0.77607731       3.61820166       9.36752468      -3.01014006       1.76466215      -0.62582279 
O       9.33870495       3.95151894       0.96683961       2.00953854      -2.37559561      -0.41588298 
O       5.73321460       0.48012709       6.96491741      -2.89576694       4.12766322      -2.22736824 
O       5.59993131       4.03265250       8.91227544      -0.05636461      -0.82651862      -1.34079882 
O       3.51294371       1.42374105       6.52057521       1.11327458      -1.46671094      -0.43453742 
O       3.64245572       3.98920657       6.62603557       0.75844410       0.23570611       0.28409422 
O       8.67706957       3.32652792       8.65717605      -1.95909892      -0.16593348       2.53092830 
O       9.07367031       6.55612617       6.28801289      -3.62722320       2.26541739      -1.29934617 
O       9.14800262       4.13527809       6.70753158      -0.65040340      -0.63114288      -4.36967182 
O       9.69353990       1.35447720       9.68801270       1.98035945      -0.64706506      -1.91369778 
O       5.60979099       1.12233699       1.94414207       3.20632422      -1.59539734      -2.53175395 
O       8.79353211       1.24639600       1.60536049       0.33749292      -0.26429037       0.81122004 
O       6.91352377       8.91344859       1.08752631       0.81030720       0.00419656      -0.20588804 
O       8.87816661       9.23954053       5.92483408       0.96443411      -0.12062254       3.26092151 
O       1.05283546       6.42128540       6.41465789       0.58961619       0.78835643       0.01445666 
O       6.04583193       5.86623330       6.81196363       0.23177659       2.24143008       0.25382973 
O       9.56299038       6.12120270       8.62133978      -1.27839501      -0.57828327       2.91913778 
O       6.52350407       3.15145812       6.50944147      -0.11504059       1.26976287      -1.05291875 
O       6.35393603       8.75398107       6.33222704       2.43605877      -0.62165584      -3.31725312 
O       6.95975098       5.91769686       9.37399216      -0.18655052       2.88679846       1.77666003 
O       3.97124176       6.60449487       9.08107243       2.29945529      -0.49389776      -2.98543468 
O       6.32435552       6.25085328       1.12647480      -1.71385335      -0.31020917      -0.24885013 
O       9.00033093       6.04954817       1.21135024      -0.16299919       5.14387980      -1.25252142 
O       8.83923193       1.10670624       4.28594124       0.32221037       0.45324525      -3.26222071 
O       8.76878917       9.23341016       3.66437246       0.81560295      -1.75044694      -1.94617109 
O       9.78833207       8.77285958       0.99579959      -3.58952595      -0.19998106       0.07299095 
O       6.32525519       4.58392201       3.75392587       0.90396405      -3.70656631       0.85229800 
O       7.13393796       6.79385617       3.28243759       1.19752172       0.11515919       1.39183104 
O       6.35726962       9.02635995       3.58284840      -3.46595793       1.43805317       2.34308659 
O       8.29890944       8.51704524       8.73398320       1.12423746      -0.58643201      -0.36153337 
O       9.83938033       6.30854015       3.78728615      -1.28252231      -2.68367875       2.86501674 
O       8.84496427       3.48495259       3.38244454       0.03933925       1.51264099      -0.00384783 
O       3.36025138       6.49887731       1.08726769       3.14782244      -3.93509259       0.94519999 
O       4.14458841       1.71616929       9.39932612       1.23225629       0.74212192      -0.90783488 
O       7.21944996       0.58321487       9.78663047      -2.25318193       0.30258539      -1.21168654 
O       3.26470544       6.50791833       6.08710571       4.43547809      -2.08970744       2.25721969 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.05851540868396125 -0.018521897745070383 -0.010368088689064463 -0.018521897745070383 -0.016706368606623972 -0.001890065128080541 -0.010368088689064463 -0.001890065128080541 -0.02760757844407562" pbc="T T T" energy=-928.94095716 free_energy=-928.94110561 config_type=crystal 
Hf       0.14164359      10.25582614       0.18072616       3.39987606       3.31813524      -4.37963648 
Hf       5.38970722       2.76827651       3.00252849      -3.72415009      -2.68131550      -2.21546094 
Hf       0.01451107       2.25712593       7.86781168      -3.65690320       0.35797042       3.52082965 
Hf      10.25244827       0.02736817       4.99917917      -2.14426263       0.70347976       0.09877925 
Hf       7.62488982       4.82166918       7.90551638      -0.33029300       0.78877166      -0.42538456 
Hf       7.62313788       8.00376385       4.86170323      -0.31704537      -3.95719221       0.78275411 
Hf       8.07688292       2.27160341      10.36709314       0.63027132      -0.84971675      -0.40767502 
Hf       7.48767658      10.20435096       2.49054700       1.31326377       3.28385003       0.62972594 
Hf       2.21995732       2.61258132       5.60583728       1.33127366      -0.60902872      -4.89721197 
Hf       4.90451815       2.76184242       7.50484156       0.07583512      -5.53539513       2.58890889 
Hf       4.94802185       0.02976859       5.07677098      -1.64126530       0.39745803      -0.57715351 
Hf       2.25149564       2.70685509      10.25533558       2.27308181      -3.12503783       0.70467022 
Hf       2.46863193       0.08067336       2.46678611      -0.62661430      -1.49141989       2.10292801 
Hf      10.45603638       2.69324223       2.28523919       0.00981981       0.23869180       2.78338756 
Hf       2.08960938       9.98597537       7.61152197       1.49851135       3.70064799      -0.68848500 
Hf       7.21149407      10.17282289       7.59816794       3.39517919      -3.53950243       3.96043226 
Hf       2.47613891       5.33194489       7.61308384      -1.03118483      -0.01446943      -1.02222361 
Hf       5.05738129       5.28349423       5.26116302      -1.92955235      -2.43124635      -1.54231628 
Hf      10.37149847       5.14698986       5.48870470      -1.87496903      -0.14159433      -1.68552649 
Hf       2.39925117       7.47564610       4.62834821       2.02829553       5.48623277       5.87005861 
Hf       4.81600068       5.20417969      10.28672770       2.95626233      -2.36650257       2.16148680 
Hf       5.33530223       7.60487143       2.43806801      -2.75602014       0.87270092      -1.41774808 
Hf       5.04862621       7.79856081       7.30069990      -5.93450035      -0.03520631       4.06251239 
Hf       7.87705512       7.39121652       0.04265060      -2.45007159       1.94014667      -3.93068407 
Hf       7.81407319       4.89569075       2.11139446       1.25392144       1.79481926       2.65609515 
Hf       2.73970965       4.96733346       2.61592873      -1.87236721      -0.04740759       3.62756252 
Hf      10.28110975       7.63064487       2.57003036       2.66558824       1.86838543      -1.65527269 
Hf       0.01858640       5.35302716      10.34055756       0.88415864      -1.24371986      -1.59409060 
Hf       7.83208730       2.83263590       4.99692999       4.16415698      -3.78217811      -0.18368713 
Hf       9.92060673       7.94865115       7.52599867      -0.86839027      -1.72049593      -0.11919416 
Hf       5.17550900       0.02884830       0.27478066      -2.50580204       0.53735296      -2.45565672 
Hf       2.46233599       7.50476746      10.09287274       4.14367380       5.05708925       5.67619096 
O       1.82406849       9.35871800       0.63587189      -0.05991823      -0.65191942       0.00823743 
O       1.09781039       7.00552951       1.00919015      -3.40624898      -2.99567484      -2.99091214 
O       0.87472135       1.21242512       6.43463033       3.39339511      -1.67080951      -2.67925972 
O       1.34136044       1.70789670       3.62034786      -0.33090535      -2.47614187       2.27216697 
O       4.14365566       4.20072670       1.57014362       4.01101876      -5.49443127      -0.15799236 
O       1.59278044       1.35696690       9.04123545       0.76407131      -1.60184880      -3.26727211 
O       3.57007891       3.88649317       4.27879272       3.03147746      -0.50775928      -0.86482741 
O       6.93590301       3.69287015       1.05615806      -2.90951056      -2.88214892      -0.75391093 
O       3.94300856       1.29721495       3.57189657      -0.29452996      -1.11811363       2.96644396 
O       1.22712689       4.03772526       4.10491732      -1.54676350       1.38145843       1.35794362 
O       0.99878298       1.32483975       1.24725768      -1.12654699      -0.27623820       0.12541221 
O       1.99177794       7.04447958       2.99131751      -3.09088160      -4.69282691      -2.60666716 
O       3.32288945       0.79398362       1.07753893       2.23876139       1.90804215      -2.20859946 
O       1.04037293       3.71155294       6.70810492       1.75518929       1.66159437       0.83135636 
O       1.14137543       8.91256943       6.26227253      -1.29258723      -0.47587782      -1.45369095 
O       6.45464087       1.27592125       4.15259034      -0.08463138       2.01827705       1.18041351 
O       5.73458305       8.97916283       8.63906575       1.81776847       1.32045252       0.66403647 
O       9.07199760       1.40931632       6.47139568      -2.03989993       0.04176375       0.90728789 
O       2.70683981       4.42596225       9.36483141       3.58842863       0.16516192       0.36239228 
O       3.29199375       9.07446145       8.68168663      -0.29708896      -2.51326216       1.43703532 
O       1.54501500       3.91371272       1.47314779      -2.03958921      -0.62217030      -1.23252918 
O       3.92132050       9.05003313       6.04290014      -0.81729313       0.51331015       0.08209765 
O       0.35723443       9.58541265       8.46253183      -1.06663582      -1.42616214       1.90743504 
O       1.58802951       6.62478737       8.74313767      -3.60853079       0.00225750      -0.62328560 
O       0.77786473       9.01498298       3.67679427      -0.14789108       1.92217099       0.71889270 
O       4.33066352       6.36781620       3.75322380       0.27485437      -0.19613413       0.94763200 
O       4.37144999       8.83115558       0.94879567       1.52681123      -0.90256751       0.29252675 
O       3.48488927       8.72954155       3.45496191       0.76709193       2.99674812       0.25231334 
O       0.61541696       3.57348210       9.32464717      -0.97608682       2.22021241       1.07763200 
O       9.37482904       3.91572192       1.03574625       1.00941202      -0.20636807      -1.28748838 
O       5.85954666       0.75122773       7.08538191      -0.24271832       1.51683357      -1.93108730 
O       5.82925925       3.68895097       8.84771636       0.99205309       2.00310218       1.48592544 
O       3.79355478       1.23443899       6.71079075      -4.63609666       0.68782961      -2.97871632 
O       3.84300831       4.05747718       6.57745513      -1.76845222       0.50212264       0.39627018 
O       8.65753179       3.40223675       8.79714284      -0.88731091      -1.03735035       0.81667193 
O       8.80055053       6.39926619       6.38681864      -1.25574065       3.66184803      -1.65100061 
O       8.99336619       4.19036652       6.60125600       0.54863860      -3.26106784      -3.83217166 
O       9.88910964       1.29453455       9.59357095      -4.26940186       1.36472559       0.13395497 
O       5.57987702       0.94466602       1.95549706       3.36300643      -0.05137909      -1.93503929 
O       8.50566503       1.39859318       1.77791977       1.14531960       0.13716428      -2.13305709 
O       7.11993073       8.98913167       0.95738675      -1.60713900       0.48197149       1.62077444 
O       8.66741000       9.18514340       5.97738518       3.30396726       2.30632352       4.08404021 
O       0.99687122       6.45455620       6.40767610       0.34392833      -0.61945857      -0.59227687 
O       5.88672026       6.01591922       6.85684186       2.14233288      -1.04626162      -0.03904971 
O       9.55539977       6.07842829       8.65053357       0.39083265       0.23010818       2.41544649 
O       6.34589579       3.04239100       6.18132736      -0.80209067       2.74366651       0.47715054 
O       6.25815900       8.56196147       6.16749743       3.20779952       3.17543730      -2.24183667 
O       7.02071534       5.69002980       9.48810493       0.04170635       2.36952975       0.41771244 
O       4.07087831       6.49681610       9.17116757       0.13494960       1.80000442      -2.73962342 
O       6.28618445       6.35379579       0.99005176      -1.63468205       0.55489789       2.28128092 
O       9.00071273       6.22554758       1.03779396       1.58030326       0.38148588       1.96313812 
O       8.77863054       1.06982043       4.09070642       2.25064353      -0.76278379       0.54690789 
O       8.69443226       8.96789952       3.64493118       1.85227760       0.82526313      -3.35010287 
O       9.69942567       8.92769864       0.93841362      -4.34089642      -4.53176670       3.16634893 
O       6.46059854       4.28944093       3.73840586      -0.15918006      -0.37332736       1.48880601 
O       7.04093918       6.83057369       3.40370244      -0.16617597      -1.93305704      -0.82438014 
O       6.08994487       9.17415263       3.56854184      -0.26968150       0.32962137       1.71372433 
O       8.29268697       8.47894597       8.88465984       1.68400101       0.00383866      -2.28727661 
O       9.89542222       6.23900073       3.77187206      -0.83116510      -1.02764900       1.31258691 
O       8.91088615       3.66511221       3.44156130      -0.32626813       0.38382814       1.12127124 
O       3.40927108       6.15233944       1.30770491       2.07157789       4.93117716      -5.36989405 
O       4.04495395       1.78683812       9.52798513       1.67293842       0.95760793      -0.95574495 
O       7.31935413       0.53168840       9.75258654      -1.97824034       1.02630026      -1.35261903 
O       3.48406715       6.47411627       6.25920436       0.95875913       0.07285628      -0.60335957 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.033812183373984235 -0.011485296721413749 0.00012960168517271126 -0.011485296721413749 -0.02744522320394603 -0.00013153049249637385 0.00012960168517271126 -0.00013153049249637385 -0.032516069160956264" pbc="T T T" energy=-928.13453661 free_energy=-928.13485646 config_type=crystal 
Hf       0.11903942      10.00275855      10.19243592      -0.31450105       2.33907240       0.43611478 
Hf       4.88933033       2.55855626       2.62094905       0.45553943       2.69222841      -0.73747624 
Hf      10.38493624       2.41960898       7.23280608      -1.09370695       3.41548224       2.98945710 
Hf      10.13042306      10.21660907       5.46677916       1.85995046      -0.20829696      -5.18798098 
Hf       7.99293217       5.23040286       7.60347242      -0.17409584       1.62128558      -1.80612749 
Hf       7.52632825       7.72647444       5.39672648       1.92224674      -1.68885365       1.19623005 
Hf       7.78594109       2.16425976      10.29264529      -0.67048810      -0.33134486      -0.88784585 
Hf       7.93014554      10.19345815       2.25815455       0.51630851      -3.49948193      -1.32561105 
Hf       2.41133388       2.72024639       4.67352786      -1.45632152      -2.59129836       2.17109054 
Hf       5.49165439       3.11619917       7.81587275      -2.53672025      -5.71642078       0.68529495 
Hf       4.90894944       0.08783727       5.49137075      -0.71052982      -0.57576609      -2.55216758 
Hf       2.46252773       2.55229245      10.26038291      -2.40932645       2.30133846       1.87823445 
Hf       2.29817165      10.41781894       2.71540975       1.25569955       1.94202262      -0.11407566 
Hf       9.91658572       2.24632157       2.62827591       4.74493641       1.11653048       1.74156347 
Hf       2.76853126       0.11284270       7.87495392       2.93433186      -0.15874820      -4.08064658 
Hf       8.04881823      10.27679894       7.84848637      -3.30926475       0.89596835       0.40380810 
Hf       2.51782432       4.73137015       7.67785842      -1.41508045       0.31103781       0.05390803 
Hf       4.75966793       5.01004864       5.19105591      -1.66895881       1.93308308      -1.60860381 
Hf       0.01417176       5.24576065       4.98248935      -0.68569324      -0.02047062      -1.43096116 
Hf       2.27829016       7.92698245       4.67714571      -1.27779126      -3.56095404       5.92312978 
Hf       5.34398813       4.91038990      10.35235025      -4.51903556       0.00913785       1.77362828 
Hf       4.96911575       7.69205854       2.95625449      -3.85857797       0.72763796       3.37005746 
Hf       4.68662840       7.62086860       7.66606710       0.86415921       2.23935836      -5.11427337 
Hf       7.19262822       7.72635597      10.17347713       0.35868661      -0.23435616      -0.30184587 
Hf       7.45085544       5.32525950       2.59778253      -0.43669252      -2.95599767       3.20412475 
Hf       2.20457295       5.30031687       1.88071763       0.51888535      -1.04693466       1.71948406 
Hf      10.37656443       7.79754046       2.33405407       0.04838246      -0.33464112      -0.87261486 
Hf      10.00171297       4.79662074      10.34459416      -2.87628210       4.11098382      -2.94476490 
Hf       7.76726122       2.88498804       5.20952604      -1.54796238      -2.42332596      -2.65091762 
Hf       0.14804314       7.46613536       7.99413066      -0.96825116       1.54046145      -0.03178437 
Hf       5.09240842       0.29295616      10.30711774      -0.67703503       0.56670638       0.85001875 
Hf       3.10038411       7.94760044       0.09943738      -1.07455515      -2.44775980      -1.35118016 
O       1.07881361       9.47404705       1.47208296      -0.86622984      -1.28877314       0.64846248 
O       1.65810669       6.96690840       1.07094816       0.37742850       1.31639581      -2.17610253 
O       2.49883005       1.12749850       6.05301960      -0.24328174      -0.69786144       1.35469348 
O       1.18402687       1.16395489       3.84793140      -0.84360603       2.10732764      -0.04318856 
O       3.54146651       3.89088625       1.29221315       1.80247153      -2.13880586      -2.07469461 
O       1.54079796       0.65513074       9.15392314      -3.93949739       1.76131790       3.97786939 
O       3.62204914       3.95753543       3.71366732       0.71215970       0.92314752       0.30651602 
O       6.16334172       3.20295706       0.95324276      -1.61961772       2.41256396      -1.26088893 
O       3.93377465       1.25134526       3.86591798      -0.65525009       1.18208406       1.93349510 
O       0.75223081       4.27157554       3.39681128       1.48938247      -2.32403360      -2.12315258 
O       1.75597518       1.80582172       1.57145252      -0.48173556      -0.12131526      -1.37450371 
O       3.89275478       6.84379909       4.82071476       3.62354135      -1.56291940      -1.95128864 
O       4.43354763       0.94728142       1.65790689      -0.28874499      -1.05763233      -3.36695220 
O       9.39630652       1.45949798       4.55763040      -1.02057374       0.26371111       0.23390464 
O       1.21213646       8.18332847       6.51749521      -0.72731745       0.32079283       0.89530574 
O       6.60380075       1.09459926       4.71620714      -0.36248382       0.61687293      -0.57795485 
O       6.71366037       9.67259316      10.20677828       1.10848834      -2.40944742      -0.03675249 
O       0.13213096       0.50367394       7.13931403      -0.52715760       0.31253390       0.12458374 
O       3.93539513       3.70437323       8.87327900       1.13509260       1.20465244       0.83311752 
O       1.39774824       8.75365829       9.41871685       0.36267933      -3.56626961      -0.94778109 
O       1.29672649       4.46766064       0.22559915       3.10649311      -2.36157829       2.19575013 
O       3.71620883       9.11317896       6.46029638      -0.24313009      -0.09716060       1.01960716 
O       9.48094888       9.25969341       8.69737463       0.15632753      -5.47716452      -1.00233504 
O       0.57189452       5.75004278       8.79456062       1.96447137       0.83107601      -2.78608324 
O       0.93809116       9.26214292       4.23375446      -1.51948918       0.29360023      -2.50889119 
O       3.87209901       5.94164028       7.11243662       1.51733944      -0.49037981      -2.04675570 
O       3.72588671       9.07664931       1.59169122       1.58793707      -1.15268505      -1.77354620 
O       3.45263077       9.17502991       3.87332753       2.76623449       1.35932330      -0.83039782 
O       1.53835421       3.16621033       8.41752696      -2.03605595      -2.11270050       1.21523160 
O       8.88591715       3.48036316       0.76946780       0.70501166      -1.19518492       2.62314227 
O       4.81925494       0.99880684       7.13681868       0.17998541       1.01100915       0.51747504 
O       6.63403216       4.42489114       8.94073272      -0.95476064      -1.29193240      -0.92140565 
O       3.59862986       3.47338106       6.30403769       0.68864905       1.49812306      -0.10257659 
O       0.96844387       3.48377881       6.03353582       0.73640668       0.17492931      -1.62740761 
O       9.09914420       3.94752064       8.61426661       1.52001633      -3.19033250       1.08746867 
O       9.20438059       4.23657783       6.16963431      -2.59510686      -1.86934070      -0.10709810 
O       6.08258410       3.92027409       6.20869103       3.65630292       0.37291584      -0.63358049 
O       6.24955086       1.43890867       8.96936793       1.44906577       1.23195734       1.53607517 
O       6.93066479       1.12427596       1.22465760       0.22523095      -1.07509769       0.92453767 
O       9.12742503       0.80390170       9.39163703      -1.62432530       3.74161699       0.54378624 
O       6.60961012       8.12347122       2.26202171       2.32280896       1.43002927      -2.27785234 
O       8.40244360       9.62551944       6.00161831      -0.11136886      -0.70426935       0.71929088 
O       1.77140582       5.79044943       5.36955172       0.28043474      -0.09235776       3.52350953 
O       9.28012259       6.77056772       6.29311339       0.26328330      -0.12812342       1.20410272 
O       8.56773148       6.37381198       9.02735518      -0.37146585       3.04563207       1.56785998 
O       8.92225684       5.94107940       3.57305078       2.68698232       3.34062705       0.98034265 
O       6.65289592       8.77838814       7.60373146       1.14120137       1.82425464       1.14749838 
O       5.31770813       7.34729720       9.33622300       6.80390006      -0.63410281       7.91123586 
O       3.62222738       6.10292537       9.50837252      -2.71957514      -0.63614059       1.33275259 
O       6.89872875       5.69805926       0.75276563       0.69027880       3.13422439      -0.85243909 
O       9.77045799       6.42858484       1.02076932      -0.61834540      -1.46923382       0.66227863 
O       9.63033326       0.71669157       1.37706159      -2.10410941       0.41570494       1.74275585 
O       8.78009183       9.12337984       3.60922867       1.40142515      -1.04017926       2.04455823 
O       8.85661231       8.63672771       1.22794304      -0.43848543       1.54340268      -2.53938353 
O       6.20408014       3.81675918       3.63681747       0.73867967       0.23372115       0.33813878 
O       6.43620926       6.23615371       4.26269947      -0.37015755      -0.32834832      -1.58883862 
O       5.96756391       8.55386178       5.17284347      -4.08779092       4.03642534      -1.98066611 
O       7.86866018       1.94231331       6.97303479       1.62593577      -0.43394246       0.63579395 
O       1.55358985       6.72314369       3.25360781      -2.00452996       1.30547589       0.72324515 
O       8.78659281       3.57809424       3.46717146      -2.40542079      -0.11074951      -0.12203745 
O       4.25701497       6.26029934       1.81921280      -0.00890597       0.24376641      -0.57484673 
O       3.83451394       9.10892769       9.01766934       0.56718386       2.57203319       0.64323124 
O       3.65926590       1.44395505       9.38906255       3.23367870      -3.40036104      -0.70096733 
O       6.41280558       6.53950867       7.01366719       1.31272838      -1.57033044      -1.52799135 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03776742091005302 -0.003700264229944754 -0.001051974475297499 -0.003700264229944754 -0.033712672871877174 -0.01064574407625759 -0.001051974475297499 -0.01064574407625759 -0.04131375438929386" pbc="T T T" energy=-926.82474645 free_energy=-926.82480583 config_type=crystal 
Hf       0.13600251      10.02706326      10.18208150      -1.57247827       1.20761870       0.20578798 
Hf       4.93213448       2.50133985       2.63082851       1.08749501       2.24281360      -0.02697035 
Hf      10.38550256       2.43626939       7.24873763      -2.39453747       1.84167818       1.23781056 
Hf      10.09655119      10.23288757       5.43012077       3.26305453      -5.48308502      -3.95932542 
Hf       8.00328325       5.22659568       7.59455741      -0.19477915       2.48617945      -0.85201499 
Hf       7.51141873       7.73915247       5.43630975       5.21704960      -2.41025181      -0.05656516 
Hf       7.81895305       2.17147150      10.30460543      -1.38496469      -0.93224777       0.15306406 
Hf       7.93601258      10.17169474       2.28239375      -0.19582149      -4.72542225      -0.82869015 
Hf       2.37303146       2.76630698       4.66632764       0.66783224      -3.20971850       1.71105744 
Hf       5.51554799       3.15358841       7.86357821      -1.37457654      -7.03428754      -1.50701079 
Hf       4.88608288       0.07576419       5.54580284      -0.14185236      -4.53893141      -9.76879523 
Hf       2.43928606       2.58728085      10.22432162       0.29626263       0.31474571      -0.91644518 
Hf       2.30035071       0.00349215       2.69014978       1.97710474      -0.29983155       0.48203328 
Hf       9.95890653       2.25663769       2.66363827       3.64107838      -0.32265239       0.48606877 
Hf       2.76173817       0.09322066       7.89011589       2.20806653      -0.93050941      -4.07852828 
Hf       8.08398424      10.30480220       7.86898421      -3.90678230       0.07684693      -0.96962962 
Hf       2.53543036       4.75396291       7.70257707      -1.53224693      -0.90615752       0.64784342 
Hf       4.77051207       5.03333049       5.26950919      -0.11134442       2.03730767      -2.69067122 
Hf       0.03879402       5.21079433       5.00431755      -1.78259348       0.56596362      -1.47120538 
Hf       2.26131566       7.90220058       4.64556657      -1.74419540       2.43967856       5.81412315 
Hf       5.33148071       4.88093770      10.34340144      -5.45983039       1.27114112       4.98906315 
Hf       4.92986875       7.68473074       2.96428615      -0.68957037       1.43462852       2.25304818 
Hf       4.69321939       7.65339671       7.68343607       1.66899997       2.88160965      -1.49059663 
Hf       7.19194677       7.68502337      10.18817639       3.09738724       1.52003195       1.45696015 
Hf       7.43576485       5.30462988       2.54642248       0.05241267      -3.26848023       2.36881433 
Hf       2.14482989       5.27693004       1.91786155       2.05055336       0.10724268       1.20539288 
Hf      10.37587491       7.79644696       2.25819307       0.02553932       0.51614032       0.65944967 
Hf       9.98965005       4.84090469      10.29375031       0.14337025       3.44642062      -1.59923547 
Hf       7.79553671       2.87070848       5.17883652      -2.54147235      -3.26607249      -1.74584014 
Hf       0.14529943       7.45482443       7.97086095      -0.61675245       3.34352306      -1.31964532 
Hf       5.11061752       0.30919164      10.29354496      -1.26691824       0.83731795       0.70175805 
Hf       3.08914174       7.93514828       0.11837073      -1.48847644      -2.00899272      -1.15489537 
O       1.06820874       9.33797368       1.47817848      -0.21854586       1.06274706      -0.20214635 
O       1.59119837       7.00125930       1.05404472       1.11761284      -0.79859596      -0.81036836 
O       2.41945408       1.06750572       6.04354067      -0.01757130       0.65245155       0.98425723 
O       1.16113928       1.20578882       3.80975761       0.60286838       3.17828553      -1.39664247 
O       3.58798511       3.82299767       1.26639837       1.09439295      -1.23245931      -1.64483943 
O       1.51485738       0.59844423       9.17509281      -3.53277102       3.31704247       3.40900704 
O       3.73466985       3.99729150       3.65606628      -1.33150831      -0.09788059       2.06801500 
O       6.16068895       3.09428566       0.83894233      -1.81327517       3.73232218      -0.89738852 
O       3.90875195       1.17813858       3.89085632      -1.00437578       2.81794971       0.89078047 
O       0.75027541       4.26563168       3.36143783       1.76057289      -2.21894993      -1.40578725 
O       1.80851111       1.75062214       1.30588536      -1.54839177      -2.02349830       2.27469346 
O       3.86878928       6.97980485       4.78243129       5.42056023      -4.55520561      -0.72742448 
O       4.48866860       0.90644482       1.65243485      -0.87655465      -0.78580466      -2.51364727 
O       9.50829130       1.26115167       4.58611814      -3.67528384       6.15836706      -2.63984890 
O       1.26865876       8.25108466       6.47418744      -1.96932675      -0.37924348       1.49188668 
O       6.58955950       1.02219231       4.66981498       0.42145443       1.69317605      -0.68955870 
O       6.64377117       9.73110676      10.11736051       2.96150554      -3.09983844       0.07024484 
O       0.05935089       0.52928264       7.06690310      -0.28309236       0.90901050       2.56041539 
O       3.95601679       3.59386638       8.88162622      -0.92311342       2.68333206       1.32043070 
O       1.37509290       8.86554992       9.32414291       0.78377836      -5.38101503      -0.76185968 
O       1.37975758       4.32312022       0.30638199      -0.87356458      -0.31676450       0.47396975 
O       3.61333163       9.14155544       6.45940529       0.76972405      -1.39060543       1.85386091 
O       9.47100379       9.11524802       8.59382937       0.00121807      -2.25725792       0.41937779 
O       0.60887809       5.82102193       8.82997238       2.75203165      -1.09360657      -2.06487165 
O       0.85555868       9.30086147       4.09259494       0.90435977      -0.48737556      -1.91529597 
O       3.91092808       5.91161956       7.11319992       1.10242838      -0.38393842      -1.74165584 
O       3.76460108       9.00283884       1.56995868       1.01557810      -0.37363523      -0.96947105 
O       3.66443128       9.17593754       3.89179315      -0.91905475       0.99360664      -1.12272291 
O       1.33589446       3.04014705       8.39415479       0.99445959       0.83171266       1.92765086 
O       8.98288712       3.46071099       0.73299634       0.63504885      -0.95433962       2.84714687 
O       4.87464259       0.81325074       7.06626916      -0.19679927       5.04783694       7.52817135 
O       6.48638632       4.44086738       8.96588834       2.54338446      -0.09228395      -3.08633072 
O       3.59635901       3.46469505       6.39913243       0.63189800       1.51134488      -0.99840559 
O       1.03256756       3.53467301       6.01559508      -0.24603906       0.49589412      -1.21372850 
O       9.03985119       3.94476165       8.67209833       0.76862224      -2.55235465       0.66793438 
O       9.15636323       4.15627549       6.23874430      -0.82318542      -1.00214848      -1.32996068 
O       6.17619955       3.85664713       6.16661282       2.13619888       0.49906655       0.47664863 
O       6.33191463       1.49244401       8.87732995       0.59815697       1.24675510       2.02149782 
O       6.97594157       1.14994243       1.33651207       0.27935824      -0.68140152       0.31946017 
O       9.03237424       0.81857134       9.40863832       0.24994372       1.48948987       0.02813268 
O       6.62573153       8.22975423       2.22829270       0.37464990       1.21184176      -1.37337684 
O       8.34830299       9.66628916       5.87460972      -1.18728010      -0.97558683       3.37390703 
O       1.72591615       5.92100795       5.43510949       0.23324630      -1.21990559       3.71665275 
O       9.19134462       6.73718902       6.39818660       1.22458098      -0.97181983       1.04075214 
O       8.64622987       6.43531220       9.03178824      -1.26066738       1.19561227       0.53705524 
O       8.83721876       5.91216014       3.60169761       4.00637960       3.06981237       1.75860460 
O       6.48927666       8.83121681       7.61839146       1.77132778       1.31771451       0.36403205 
O       5.51268747       7.41423264       9.46327775       0.69018161      -1.43529448       1.70778939 
O       3.65021483       6.18587084       9.53463598      -1.62217893      -1.11203145       0.18157534 
O       6.87779279       5.80903070       0.73170795       0.09460818       1.43161602      -1.20887898 
O       9.79712514       6.44195918       0.98237962      -0.81305722      -3.54691017       0.16336659 
O       9.54062809       0.72679219       1.37603224      -0.46160707       0.72291512       1.92740734 
O       8.76921661       9.10696570       3.66420605       1.19876091      -1.10430141       0.48883873 
O       8.86331455       8.49934973       1.14633892      -0.85322986       3.27312863      -1.65436024 
O       6.21470334       3.94369441       3.71845791       0.68867314      -3.70168052      -0.91086746 
O       6.41690969       6.03590265       4.00844931      -2.24510397       4.28731481       1.60317760 
O       6.00720067       8.48418713       5.20642030      -7.50018811       4.93466195      -2.64283451 
O       7.91020712       1.89761793       7.03109949       1.75936702       0.24390950      -0.95288816 
O       1.50402078       6.74833772       3.36231217      -2.52260210      -1.21858313      -2.76953726 
O       8.80945695       3.57886413       3.41219973      -2.12502222      -1.24868717       0.85111129 
O       4.26393229       6.19978900       1.88720511      -1.08404379       0.04656734      -1.15693035 
O       3.77440352       9.08688232       9.09741152       1.57307864       1.80427779      -0.55055676 
O       3.69526921       1.31245080       9.28439343       1.08928786      -0.61781172       0.38564866 
O       6.38513923       6.50991486       6.82412703       0.77038582      -1.86392059      -0.20115231 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.030930030776042644 -0.0014595257349544768 -0.008965562250451234 -0.0014595257349544768 -0.015318151551696892 0.018068545536225066 -0.008965562250451234 0.018068545536225066 -0.0243896059040534" pbc="T T T" energy=-929.83647596 free_energy=-929.83649056 config_type=crystal 
Hf       9.88980564       0.00902417       0.09611698       3.01662128      -1.12938796       0.97416468 
Hf       4.77303829       2.52210741       2.43478089       2.45774315       0.61849589       0.51582381 
Hf       9.98428874       2.68745306       7.54365714       2.51797786      -4.14319938      -0.57882452 
Hf      10.32583193      10.29675432       5.01818632       2.18251630      -1.60164819      -2.79500660 
Hf       7.90184044       4.92052505       7.75381781      -3.23877791       1.52113396      -1.57896905 
Hf       7.86074072       7.55856760       5.35866782       1.06140409      -0.95526763      -4.56343269 
Hf       7.27384468       2.22730114       0.13232919      -2.63398658       0.77608296      -3.94927061 
Hf       7.19834089      10.42744732       2.62910504      -3.10643394      -3.11187326      -1.93466818 
Hf       2.31132274       2.76847893       5.27537392      -0.62343226      -3.40152523      -0.40683075 
Hf       5.47728084       2.35146784       7.76016943      -2.53133160       2.82778190       1.52008567 
Hf       5.38979084      10.12129842       5.43976977      -5.93994086       0.14285035      -6.27996139 
Hf       2.16174159       2.75997556      10.40013567       1.20984161      -7.15910738      -0.41751966 
Hf       2.49651252       0.20334895       2.25824634      -1.58884939      -1.28001261       1.98652600 
Hf      10.32408470       2.63475899       2.17795730      -3.24736174      -2.49859196       5.94165589 
Hf       2.34873711       0.22177354       7.70734453      -0.23849180       0.06085604       0.89484744 
Hf       7.53677080      10.30220679       7.88266353       2.10302489      -1.53656357      -1.18296986 
Hf       2.71744323       4.91936990       7.71561806       1.59824477       1.72237092      -1.98692683 
Hf       5.19155724       5.21290463       5.21994817       0.30340876      -1.67502392       0.90336066 
Hf       0.16116640       5.20722148       4.89815177      -0.64079762       1.82089201      -0.99901212 
Hf       2.66683486       7.93320586       4.86539424      -3.02318978       0.52256473       1.62166411 
Hf       5.19893414       5.15863058      10.25117433      -0.10929464      -1.92235955      -0.00209970 
Hf       5.22167614       7.48295810       2.93100363       2.97371667       2.18112435      -0.05308515 
Hf       5.14766556       7.64889238       7.46358202       0.19528022      -2.06990046       3.22105467 
Hf       7.59756079       7.62297524      10.39470131      -1.24618764       1.54742720       1.19194135 
Hf       7.90527953       5.07850732       2.44265409       1.33704670      -0.54115794       5.48643858 
Hf       2.59124472       4.99019656       2.31204198       0.18419784       1.51397571       0.92388703 
Hf       0.00949075       7.68031327       2.36683275       0.58146371      -1.42336796       3.60062200 
Hf       0.08069053       5.23336867       9.97656521       0.17225276       0.50944823       1.43445016 
Hf       7.57104342       2.07145440       5.17550921       0.84834495       2.15644582      -3.80162402 
Hf      10.28901372       7.84770779       7.88524220       4.74960434       0.45923083      -0.42938957 
Hf       4.93369855      10.08866166      10.28210457       4.10792560       2.29257137      -2.86300770 
Hf       2.46160796       8.02094370      10.15953082      -0.57513732      -1.18596351      -0.46726502 
O       0.73015895       8.97281780       1.16647505       1.06862457       2.27289785      -0.89036132 
O       1.12306826       6.42950911       0.57360867       1.55702014       1.12619476       5.12700290 
O       1.11886724       1.40644346       6.56201110       0.56238101       1.96943965      -2.64949063 
O       0.75399761       0.96457389       3.24343435      -1.96137304       2.12448546       1.07413820 
O       3.45687042       3.94406418       0.74388747       0.96433937       2.33799513       2.94609789 
O       0.76218385       1.63623223       9.01494949      -2.37827012       0.53999952      -0.84431557 
O       4.18198215       4.55912413       3.55288482      -0.60780062      -0.84711733      -1.34226910 
O       5.74477954       3.24864558       0.67040103      -1.99459563       4.30243091       2.42953247 
O       3.23786026       2.07657697       3.59147433      -0.79658804      -1.64000560      -0.38781078 
O       1.39551831       3.70689977       3.81942304      -0.78106888       1.80881903      -0.79595871 
O       1.17556013       1.04171177       0.82419923      -0.71490886       1.41615054       1.24772674 
O       1.65922176       6.29056623       3.51944008      -0.71652949       1.35726978      -0.60611742 
O       3.67269968       1.31941449       1.13312681       0.16694283       1.06518882       0.51554522 
O       1.06332081       4.18120995       6.50089017      -0.08194002      -1.20488370       0.38220934 
O       1.25313058       9.42177518       6.60812455      -1.91019687      -1.07487815      -1.07266948 
O       5.68263731       1.17732431       4.03487898       2.04337903       0.15760442      -0.42773579 
O       6.01651108       8.88345414       8.83856649       2.00755920       0.80829533       0.78043308 
O       8.94459265       0.54620837       6.18963480       0.04599621      -0.00420621       0.80317670 
O       4.24960301       3.88950367       8.79993240       0.88838926       0.57718122      -1.19401028 
O       3.63346504       8.90399290       8.70170460      -2.18166736       2.84135431       1.55287831 
O       0.86843012       3.85241219       1.27549727       4.58089551       1.99709742      -2.51962700 
O       3.85849629       8.56611529       6.50236412      -1.16083328       3.53862344      -4.61100949 
O       0.64187478       9.28915273       9.22957294       0.34825553      -0.64654258      -1.14885415 
O       1.19632130       6.61306857       8.88976369       0.72995665      -0.07829173      -4.04348183 
O       1.48114596       9.38344157       3.79777517       2.05280996      -2.77240949       0.86692973 
O       4.36626577       6.90080671       4.65801402      -0.84105143       2.31593730      -3.38930752 
O       3.63032047       9.37140712       0.73581562      -8.04900244      -2.65883590       3.58634720 
O       4.23129041       9.40207968       3.38296554      -0.53380733      -1.12847184       1.30845329 
O       1.79173955       4.14236298       9.20540063      -3.87928826       1.86562858       0.12759249 
O       9.21006918       4.50701512       1.15405910      -0.95757396      -0.28479174      -1.61085046 
O       6.51175838       0.83752207       6.48948096      -0.82953155       4.42954500       0.62003772 
O       6.94499835       3.69418753       9.35038628       0.07599974       1.58441272      -3.71312695 
O       4.00769857       0.89045770       6.07888011      -2.44019223       0.96833702       3.35661866 
O       3.61280058       3.73480067       6.23624027       0.85890100      -0.41928680       0.48548690 
O       9.42484052       4.08745844       8.73379009       0.53686398       1.14394430       0.20436400 
O       9.14221848       5.88046911       6.16705261      -0.03980703       0.13586125       1.35436551 
O       8.42159047       3.44770914       6.30296020       1.31316305       0.16855204       1.71257315 
O       8.40966967       1.74607227       8.14989388       0.05440732      -1.06928555       2.09225791 
O       5.99694159       1.26018260       1.32873391       2.22353217      -4.65983335       1.71599315 
O       8.78979536       1.78572326       1.09283947       4.98686124      -1.14234955       1.97651196 
O       5.89076534       8.92362634       1.08824439       2.01131944      -1.47921313       0.11652931 
O       8.69415313       8.26866024       6.94900596       0.60572229       2.87383275       1.57246488 
O       1.28645632       6.82225442       5.88989529      -0.66662777       0.13171073       0.36247344 
O       6.70410337       6.56297420       6.59654475      -1.83157841      -2.48373543       2.66293810 
O       9.16475210       6.76083269       9.17652825      -1.04123248      -0.54767613       0.80623380 
O       6.08248781       3.96110378       6.77380774       0.82169443      -0.85078438      -0.34457187 
O       6.50628822       8.92819118       6.33786131       1.27561287      -1.34815353       1.59770638 
O       6.60386941       6.12574514       9.25946054       1.04095325       1.45667686      -0.89172357 
O       3.97881238       6.70068072       9.49274763      -0.32554495      -1.71692500      -0.09076426 
O       6.59059450       5.98734984       1.38859126      -2.02114789       1.90594461      -1.76975742 
O       8.80803753       7.53713408       1.49038123      -1.37085271      -2.38854982      -2.29393473 
O       8.31639291       0.68090093       3.93255544       2.38112560       1.08018869       0.52821222 
O       9.49106791       8.46869412       3.99418890       0.60883881       2.86998216       2.26450076 
O       8.29511481       9.72116868       1.20662831       1.56560965       1.66120015       1.22569572 
O       6.84024634       3.63213751       3.50874268      -1.76032420      -1.02573352      -0.16345442 
O       6.59738089       6.25634228       4.28894923       0.84600429      -1.20318337      -2.84845591 
O       6.82880972       8.57390602       3.73803023       0.15044054       3.10643564       0.06729007 
O       8.41120287       9.74395622       9.48749821       1.10823062      -1.91361631      -1.28865893 
O       9.36970353       6.15451400       3.56361718      -0.20135358      -1.64383436      -0.58639382 
O       9.16337329       3.48328773       3.96761909       2.57951591      -0.99171871      -1.77123035 
O       3.90775526       6.80146331       1.78186490      -3.16554820      -2.54393412      -1.74692626 
O       3.19149856       1.50153066       9.13823672       2.20549516      -1.63962785      -2.15491371 
O       6.40741821       1.10023217       9.09656073      -2.95733969      -0.95850378       0.32813606 
O       3.85331867       6.11254203       6.55407144       1.11253337      -0.49531023       3.46060089 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01814192051153915 -0.002584053547063218 0.0022312069178833946 -0.002584053547063218 -0.011236735111644941 -0.002348104285856772 0.0022312069178833946 -0.002348104285856772 -0.025241230676432552" pbc="T T T" energy=-929.87231913 free_energy=-929.87233245 config_type=crystal 
Hf       9.89453971      10.44282918       0.09623880       2.85507823      -0.50518040      -0.06566087 
Hf       4.75560119       2.53915224       2.40490878       0.47158728       0.35851098       1.93016264 
Hf      10.00080336       2.67424985       7.57868615       1.74347331      -4.03069890      -0.58126843 
Hf      10.33800475      10.26668356       4.98578411       2.60860922      -0.43904692      -2.11570935 
Hf       7.90078848       4.90506072       7.73286406      -3.77520273       2.97801040      -1.58866931 
Hf       7.86646772       7.60131690       5.39584303       0.69440500      -1.80698900      -3.88107593 
Hf       7.25152959       2.23717903       0.08052171      -1.03363655      -1.00632657      -1.34681484 
Hf       7.19092862      10.38250567       2.55274313      -2.00642216      -2.06174050       0.47381732 
Hf       2.39809225       2.76316074       5.27317979      -3.78438986      -3.34953149       1.49606863 
Hf       5.46449491       2.30499457       7.76092394      -4.30803147       1.99370189       1.84756871 
Hf       5.34685598      10.13682251       5.41687056      -6.81529773      -2.90532904      -4.33460786 
Hf       2.13906720       2.75050156      10.44332350       1.57596918      -4.64247271      -2.64127982 
Hf       2.47931143       0.17319101       2.27844014      -1.19799944      -1.78616603       2.28961136 
Hf      10.29683710       2.64265364       2.23986748      -0.42150227      -1.00570676       3.75546343 
Hf       2.32601070       0.21846863       7.73873424      -0.83497105      -0.25079287      -0.21865124 
Hf       7.53265999      10.33541656       7.88161838       2.82349099      -6.25511835      -1.20059582 
Hf       2.69162290       4.94198725       7.66220109       3.67435134       3.66538004      -6.01182375 
Hf       5.19223818       5.27784646       5.22138874      -1.02266396      -1.31937422       0.89073279 
Hf       0.12532406       5.18020215       4.88443268       0.22165482       2.92817694      -1.09667895 
Hf       2.69200052       7.94203274       4.90996120      -5.62499520       1.92686662       1.11256209 
Hf       5.22374479       5.14877247      10.26072379      -1.18211234       0.61525650      -0.74634014 
Hf       5.26262808       7.51095351       2.93043961      -0.70782995       0.80322179      -2.31999677 
Hf       5.19074591       7.62096123       7.50033074      -1.18154935      -1.13825945       3.06937973 
Hf       7.62015481       7.66149096      10.37715765      -3.15280437       1.35433004      -1.31887606 
Hf       7.91229764       5.09710994       2.43960779      -3.83085061       2.22249794       6.13195238 
Hf       2.58252166       4.97349847       2.30695593       0.30076763       3.61026469       2.28979326 
Hf      10.44985745       7.68887860       2.38332539      -0.30680341      -1.13641644       2.54079672 
Hf       0.10069008       5.22756924       9.97206652       1.64140800       2.85308540       1.44599131 
Hf       7.56759177       2.07430486       5.14601567       1.25900599       1.93854095      -3.56591822 
Hf      10.31543952       7.88057877       7.85964983       2.33001117       0.17946838      -0.70132794 
Hf       4.89406462      10.09906392      10.26156925       2.15754622      -1.28893346      -0.14562880 
Hf       2.46724620       8.00848934      10.18760786      -0.90775347      -2.57437251      -0.85625517 
O       0.90082280       8.94024541       1.21278328      -0.29240203       2.27585817      -0.47953935 
O       1.09173340       6.52255437       0.60773278       0.11774845       0.12492292       2.82959890 
O       1.03313828       1.34099391       6.53355738       0.38858810       2.80157693      -1.19678316 
O       0.78482821       1.03507976       3.20998019      -2.49635219       1.70685046       2.04628109 
O       3.40431282       3.87986325       0.91287274       2.40862797       0.84865774       0.41164394 
O       0.70598538       1.74801375       9.05975194      -1.61321289       0.88826128       0.09223493 
O       4.26462923       4.58481980       3.43544914       0.46269464      -1.08082415       0.42126570 
O       5.72302680       3.24925157       0.77444835       0.69224517       3.85956246       0.34044509 
O       3.11450888       2.18542807       3.67454215       2.83938555      -2.93690842      -4.11608526 
O       1.47524030       3.82152926       3.85782803      -1.73077560       1.39477657      -1.09422779 
O       1.18774980       1.07116983       1.02718144      -1.00996639       2.14079047      -2.46651129 
O       1.69500423       6.30777434       3.63938064      -1.81011625       1.18608884      -1.61714404 
O       3.66232109       1.40685436       1.08637251      -1.24119032      -0.43252112       0.52970578 
O       0.94097658       4.13202562       6.32470896       0.47734333      -1.67941511       2.70010949 
O       1.37550589       9.46288139       6.48853252      -1.64191919      -1.57160313      -0.18516115 
O       5.58028803       1.05262812       4.01738399       2.45485609       1.36523678      -1.15500829 
O       6.13753322       8.76305840       8.88981288       0.97980936       1.58876834       1.35233085 
O       8.95378941       0.35519258       6.18860618      -1.27064072       1.66553847       2.85695897 
O       4.23918129       3.98198783       8.85399618       1.52287912       0.37614537      -0.92274973 
O       3.70473086       8.91185972       8.80131278      -1.38180894       4.10589433      -0.51500903 
O       1.03483558       3.98072435       1.28602585      -1.39305647      -1.14008095      -1.19956430 
O       3.89024436       8.49795898       6.40000375       0.73876712       4.44097393      -1.28469552 
O       0.75807963       9.43120711       9.10819715       0.24141516      -0.84122580      -0.40196295 
O       1.24874053       6.63183897       8.70671906      -0.69927063       0.20313739      -1.40310355 
O       1.50381910       9.44910557       3.90397842       2.19581052      -2.06941340      -0.80537829 
O       4.25854240       6.93941756       4.66822045       3.23603621      -0.67575062      -4.71549790 
O       3.53424986       9.25976887       0.73843018      -3.32990433       1.08385001       3.02687073 
O       4.21320576       9.38829245       3.36858342      -0.38173776      -1.25101131       1.21828071 
O       1.83482806       4.34776184       9.04927852      -6.74106373      -4.37400947       9.02273756 
O       9.12280200       4.52664437       1.26670985       3.04420211      -2.48950729      -4.27234512 
O       6.42116044       0.78428763       6.44119274       1.44302200       5.87541806       2.49491815 
O       7.00471022       3.62598987       9.21802380      -0.58766623      -0.14785312      -1.18450589 
O       3.86621397       0.91734558       6.13305892      -0.69636930       0.03655333       2.39930317 
O       3.59283473       3.71375273       6.32614503       2.26074128       0.20291365       0.26351324 
O       9.40405099       4.18642547       8.75645005       1.26309060      -1.45030533      -0.50514501 
O       9.12753921       5.93129015       6.25027649       0.34743536       0.50276862       0.74664724 
O       8.48281522       3.50370572       6.28317563       1.00404481      -1.66103496       2.14881992 
O       8.47513293       1.39913135       8.39081324       3.18759340       4.51259663       1.13149240 
O       5.86876801       1.16197710       1.34677366       4.05241140      -3.41273929       0.38005486 
O       8.88560306       1.58954847       1.02451089       1.69223482       1.88900725       0.93715658 
O       5.87347497       8.82656804       1.21203306       0.71848086       0.21082158      -0.65606913 
O       8.59968448       8.44720042       6.91410799       3.81245520       0.89226517       3.29006266 
O       1.34200149       6.87407833       5.92331376      -2.34947442      -0.71591977       1.03583503 
O       6.67577556       6.47434977       6.64314467      -1.28615560      -1.94664044       0.62508423 
O       9.14716428       6.73169939       9.28869515       0.98360532       0.13103235      -0.91557977 
O       6.11782767       3.84192631       6.88176628       0.70327846       0.42584034      -2.08544336 
O       6.51746559       8.87543337       6.40419682      -1.56809184       0.31467209      -0.90277159 
O       6.64602800       6.13950296       9.24150525      -0.02911796      -0.20930274      -1.66895283 
O       3.98797345       6.78919818       9.49121099       0.47404070      -2.81107362       0.07685043 
O       6.63178758       6.07516848       1.13852527      -0.37487937      -0.28445877       2.00177396 
O       8.72389681       7.52053762       1.40743816       2.80881827      -1.32142587       1.68843655 
O       8.41112364       0.63761441       4.03923061      -0.71040799       0.28438780      -2.77532878 
O       9.57044316       8.52683376       4.14029067       0.18220151       1.47444541       0.58429863 
O       8.18496005       9.78070995       1.04243226       1.07803662       0.76981785       4.06130541 
O       6.94047182       3.51592135       3.62232293      -1.93423240      -0.59210705      -0.28866014 
O       6.58529662       6.24021742       4.23719345       0.11505330      -0.97407808      -2.15056291 
O       6.85077178       8.51600490       3.67338878       0.69852917       3.29728150       0.59172129 
O       8.47362088       9.60803209       9.55360252       1.01177789      -2.30898871      -4.94731948 
O       9.20037308       6.27035798       3.58062256       0.51435186      -2.46306657      -0.35618692 
O       9.20882087       3.29334703       3.97618662       2.96070125      -0.04320142      -2.15709023 
O       3.80354487       6.63214218       1.68812218      -0.24170637      -0.69595919       0.23934586 
O       3.22944021       1.67426106       8.99952419       1.64315481      -1.77332953      -1.27377626 
O       6.35339577       0.94553336       9.10859738      -3.41843545       1.26863491       1.36818943 
O       3.74239118       6.18954280       6.57716354       3.07820491      -0.74584089       2.28992655 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.022248781031520094 -0.0030572015259804747 0.00140039402702037 -0.0030572015259804747 -0.02499146262664027 0.014481709175368339 0.00140039402702037 0.014481709175368339 -0.02797763029872318" pbc="T T T" energy=-928.36297424 free_energy=-928.36305938 config_type=crystal 
Hf       9.94760126      10.34528399       0.08003095       1.64446998       2.30540670      -1.04050866 
Hf       4.71594727       2.58825002       2.35293667       4.35897212      -1.57131268       1.43582891 
Hf      10.07452172       2.57434683       7.66178495       0.68313408      -2.08715580      -0.89688225 
Hf      10.41982071      10.21587853       4.88070650       0.92141576       3.97237015       1.33022224 
Hf       7.84641919       4.90451522       7.65325542       0.00568249      -1.30606054      -1.13865902 
Hf       7.90391944       7.70123750       5.45876666       2.13188681      -0.05713690      -0.12825593 
Hf       7.18683696       2.24420552      10.38763526       3.29094422      -2.56211946       4.32590492 
Hf       7.13728913      10.22584455       2.37970105       1.48935477       0.36102616       4.49644425 
Hf       2.57453616       2.69305991       5.28360255      -3.10415588      -2.70552894      -0.15599896 
Hf       5.34067223       2.21857494       7.79593882      -4.39273303       6.54860151       1.07835363 
Hf       5.12911150      10.15072885       5.29438892       2.66526222       5.17829112      -3.32257832 
Hf       2.10383943       2.65754454       0.06136333       2.48493023      -0.46940181      -2.19436815 
Hf       2.40300550       0.06557503       2.37064935      -1.83964108       3.28264708       0.46569422 
Hf      10.23380787       2.64677701       2.42814877       2.08679471      -0.95781391      -5.82108498 
Hf       2.24382863       0.21216181       7.81340555       0.91227749       3.58145038      -2.68890048 
Hf       7.57942705      10.33479487       7.86392904       3.06424514      -1.86117568       1.08090239 
Hf       2.64081191       5.04415076       7.47943738      -1.52613113      -0.28125370       3.97692115 
Hf       5.17999325       5.43037238       5.23153593       0.41707344      -5.28546153      -1.15157976 
Hf       0.03549737       5.15546738       4.83800064       0.51650376       1.97545452       2.55591688 
Hf       2.66089874       7.99159805       5.04819082      -2.43490940      -0.45699319       0.08581108 
Hf       5.26930091       5.14385817      10.27715322      -1.28431445       1.46096185       0.64384919 
Hf       5.37431949       7.60485155       2.87655050       1.57819875       0.23214674      -2.31855681 
Hf       5.29278078       7.52917098       7.66200516       1.13871346       0.31273352       2.50086965 
Hf       7.64403637       7.78061829      10.30254914       2.63521120      -2.20188632       1.14912670 
Hf       7.87507889       5.17573455       2.49560929      -1.54272945      -1.80787772      -2.94481163 
Hf       2.55651692       4.99101564       2.33787738       0.21712798       0.88599183       0.12061045 
Hf      10.39223222       7.69663437       2.46104446       5.14952443       1.42424715       3.50202573 
Hf       0.15471398       5.27219576      10.00386430      -3.51469476       1.36434019       2.91127427 
Hf       7.59033723       2.10544024       5.01641062       2.24272755      -0.06999881       0.64409489 
Hf      10.42165125       7.97782013       7.77821264       0.09547787      -0.82203002       0.52032317 
Hf       4.80633337      10.09821511      10.22791529       1.18078868      -0.56580939       6.76478850 
Hf       2.46359748       7.91874702      10.25318185       0.12967408      -1.70117529       1.75131868 
O       1.00036452       9.24039907       1.35468831      -4.31543595       0.33363545       0.03752929 
O       0.98794209       6.77626343       1.04746975       1.81065743      -1.15142066      -2.95625846 
O       0.93246317       1.56690286       6.33105022       1.33846741      -2.19926747       0.62554402 
O       0.58367684       1.24331684       3.59880528       1.48330857      -2.74791842       0.36533534 
O       3.65879136       3.67289205       1.22795801      -2.70914715       2.91411921      -2.72172467 
O       0.53296319       2.11495161       9.30950886       2.70146158      -1.95699845      -0.27355547 
O       4.58227767       4.43880920       3.34762747      -2.09849738      -0.63516720       1.72429136 
O       6.06471987       3.67166374       1.01533914       2.01636107      -1.92076808      -0.85973440 
O       3.17406783       1.99626825       3.36077092      -1.78463098      -0.80644712       3.18551086 
O       1.47450777       4.18875964       3.90976717       1.23104246      -2.21111435       0.39924580 
O       1.11823141       1.42838490       1.10878211      -0.46659775      -2.77064066       2.21901932 
O       1.41125864       6.59730627       3.66307476      -0.42142149      -0.13648174      -0.79297921 
O       3.53586657       1.41031250       0.98381045       1.82050191      -2.87805911      -0.95169623 
O       0.80688499       3.79803871       6.33515245       2.75572710       3.31369307       0.47227944 
O       1.45273535       9.35713541       6.26346683      -0.77928175       0.00854680       1.72975499 
O       5.70961646       0.95654799       3.82850006       0.76794749       0.37099814       0.01216765 
O       6.41178157       8.74901078       9.12986093      -2.57163099       1.74279785      -1.41313632 
O       8.83140531       0.32268666       6.53604990       1.48399565       3.59977418      -1.80037627 
O       4.36068435       4.29218799       8.80625335      -0.56399824      -0.45555414      -0.65106109 
O       3.65347014       9.52698687       8.90234877      -2.10633911      -2.26107697      -2.11924953 
O       1.10254907       4.07190473       1.12590973       0.28181457      -0.01424244       2.88379046 
O       4.18993897       8.92907913       6.13730956      -6.47597454      -6.25501306       4.11211758 
O       1.06588199       9.61233077       8.82783047      -2.52920389      -3.18215731       3.23504801 
O       1.37063189       6.65805701       8.21925381       1.63458416      -0.95158208       4.86191578 
O       1.84042161       9.39377694       3.93300287      -2.23342375       0.08618715      -0.32596949 
O       4.31209209       6.81300314       4.22226090      -4.25457685      -0.05203339       2.93350377 
O       3.14719869       9.28775675       1.15202908       3.91249679      -2.56865095      -4.23705143 
O       4.15450879       9.17075740       3.57925996       1.27798340       0.38185762       0.56761194 
O       1.55355730       4.24730118       9.36953293       4.49851972       0.95897360      -4.82992176 
O       9.18004333       4.23731465       1.07127272      -1.68109161       1.25215017       1.63317262 
O       6.35784840       1.27309109       6.57794170       1.77838460      -5.16347511      -2.22920142 
O       7.02499508       3.24914283       8.87926693      -0.75881175       1.04090676      -0.96386308 
O       3.53908650       0.97966500       6.45996722       2.54434826       0.14008572      -4.90890310 
O       3.83587674       3.69359022       6.46879222      -1.70252953       0.79524718      -2.56985813 
O       9.49795635       4.19905169       8.69112243      -0.49503303       0.67679678      -0.01483528 
O       9.11816380       6.22520983       6.50411742      -1.04402379      -0.33069918      -0.91173936 
O       8.73075333       3.34867817       6.45177125      -1.58197587       0.07433586      -0.93495358 
O       8.93994629       1.10654276       9.26396383      -4.41951811       0.05572214      -3.37164251 
O       5.98366030       0.71727925       1.28668920      -1.45178865       4.17984217      -2.50975029 
O       9.20589118       1.58996670       1.03270414      -2.42416109       0.94678050       1.62231772 
O       5.89767963       8.67731971       1.31675262       0.21636472       1.29266290      -2.20005572 
O       8.78654372       8.73328008       7.08482186      -2.58891769      -2.69387505      -4.23467007 
O       1.11556023       6.84272767       6.10380788       0.91742226      -1.13094502      -2.70570622 
O       6.37681745       6.10665615       6.62780875       1.88981842       3.37569701      -1.59262958 
O       9.30125971       6.70899329       9.38409121       0.13736795      -0.39026396      -0.65475697 
O       6.31299812       3.67570872       6.67570125      -0.38579754       1.45968267      -1.42301834 
O       6.35078131       8.82715404       6.39200924       2.70899175       0.48203324       0.33782650 
O       6.69324009       6.11658481       8.91629163      -0.95256526       0.66805782       1.45568862 
O       4.06559298       6.72461901       9.44558474      -0.80285502       2.91863428      -0.31094476 
O       6.70945861       6.17709493       0.99886660       0.26030323       0.17160751       1.52085971 
O       8.95380542       7.31177848       1.51928374      -4.75461832      -0.53057819      -2.91579386 
O       8.47784169       0.58494943       3.88188459      -0.47693911      -0.32946033      -0.18077052 
O       9.63281292       8.51636609       4.48659420      -0.75606270      -1.00957932      -0.99098263 
O       8.25339842       9.87951622       0.87434603       0.03277968      -2.77826080      -0.47794105 
O       6.90259046       3.25847658       3.76592558      -0.44051506       2.81318038      -2.72149613 
O       6.58050938       6.07406398       3.83020459      -0.62790538       1.13686177       1.06549683 
O       7.00124099       8.75784749       3.74299309      -1.50713992      -1.97782070       1.32985478 
O       8.97773754       8.93348927       9.14748026       0.82056611       2.60047764       2.96457730 
O       8.97472997       6.20859568       3.68240122       2.93239512      -0.98973069       1.85125301 
O       9.50925848       2.99101222       4.04035552      -2.75756370       3.79253124       3.64923074 
O       3.64693263       6.27337288       1.40233652       1.64848741       2.42188102      -0.55438046 
O       3.52107490       1.83441339       8.51723772      -2.56628442      -0.81261417       2.95095836 
O       5.87651226       0.86140803       9.25627107       3.34497724       2.19514206      -1.83274320 
O       3.99661999       6.36570517       6.84710704      -2.14619017      -0.89297968      -2.14200344 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.059523906647933035 -0.008029954390157084 -0.010974488699766702 -0.008029954390157084 -0.014690996207551203 -0.003577207316343335 -0.010974488699766702 -0.003577207316343335 -0.013849028828619893" pbc="T T T" energy=-927.16378962 free_energy=-927.16388851 config_type=crystal 
Hf       0.12434275      10.23205959       0.16389420      -0.87116488       1.72639547      -2.20299089 
Hf       5.38002012       2.77072362       2.99820323      -3.37715226      -3.71253208      -2.78228339 
Hf      10.42758600       2.25790504       7.90658623      -1.68139066       0.25200021       1.66967934 
Hf      10.21684687       0.05708862       5.00242411       0.00471044       0.36229596      -0.29799439 
Hf       7.64689741       4.75096487       7.88840979      -0.36939253       2.71877948       1.57816145 
Hf       7.60752933       7.97020220       4.87095430       5.12561503      -4.33232205       0.12769942 
Hf       8.03511546       2.27836897      10.34855541      -1.06035312      -1.58885912       1.18717976 
Hf       7.47382781      10.20715527       2.50368784       1.27263338       3.63531282       1.27115995 
Hf       2.18267776       2.65105413       5.61037815       1.65436664      -2.08964526      -5.18843911 
Hf       4.93130147       2.77833872       7.52256649      -1.23159506      -5.69027724       1.53412822 
Hf       4.97212541       0.03233888       5.05656807      -1.62729824       1.98731939      -0.50776984 
Hf       2.28236968       2.68486802      10.29229352       1.70386277      -2.54527663      -0.01759027 
Hf       2.54198377       0.06191804       2.40795905      -0.22260979      -0.57739236       2.58189440 
Hf      10.43456549       2.69850547       2.27303707      -1.22610196       0.95855959       5.51834469 
Hf       2.05688084      10.01340424       7.66728494       2.18950056       1.65438046      -1.78624606 
Hf       7.22473874      10.16463256       7.57869683       0.27822120      -0.17485151       3.65547592 
Hf       2.51062923       5.36156633       7.60706996       0.22422339      -1.38192847      -1.91524320 
Hf       5.05352408       5.30696939       5.24942361      -0.39122678      -2.56571660       0.19323544 
Hf      10.33147688       5.09731456       5.46279510      -0.81005550       0.79641936      -2.16880572 
Hf       2.46628394       7.50841263       4.59561046       1.71051305       5.63871168       6.16224732 
Hf       4.85053621       5.14199853      10.29070810       3.33870882      -1.22232017       0.80395213 
Hf       5.37622947       7.62051662       2.43887087      -4.03247038       1.22206550      -0.89235345 
Hf       5.03240748       7.82893875       7.31435442      -3.53512560       1.15801046       1.92715738 
Hf       7.87977193       7.38340036       0.10061943      -4.88160694       3.74626695      -6.73863648 
Hf       7.87753646       4.94082090       2.11132654       1.43783654       0.16348799       2.47083778 
Hf       2.71731774       4.95427185       2.60028636      -0.85183326      -1.24389016       1.84584178 
Hf      10.29303013       7.66501325       2.54135349       1.83229343      -0.22592431      -0.17035638 
Hf       0.09054383       5.30114600      10.34231745       0.02552215      -0.65790980      -1.15295601 
Hf       7.77298822       2.84755997       5.02603639       5.24863709      -3.60332001      -1.63543283 
Hf       9.85236145       7.96286519       7.54987647      -1.15225274      -2.30974680      -0.25672840 
Hf       5.19978315      10.46287907       0.28836453      -1.41585346       1.41645055      -5.18802538 
Hf       2.45456389       7.52984908      10.07711169       3.93594711       1.92966759       3.43501973 
O       1.74003453       9.36902920       0.62054958       1.10206734      -0.87850482       0.76799780 
O       1.06930350       6.88873353       0.91022103      -1.78233441      -1.37722897      -1.71203193 
O       0.90906514       1.12274298       6.43776705       2.12996507       0.02270145      -0.89447100 
O       1.36567091       1.56333818       3.80534495      -0.87559816      -2.18548208       1.03025565 
O       4.21881407       4.18827799       1.43085827       1.14576141      -7.02445304       3.12236733 
O       1.58920089       1.32312267       9.05143183       1.10442770      -1.36278809      -2.85458793 
O       3.60833810       3.72435143       4.24254147       2.47815575       1.49222191      -1.50248703 
O       6.81381102       3.77681838       1.15883190      -1.45515893      -2.54069575      -0.90313483 
O       3.95553974       1.36987727       3.61079525       0.25559285      -2.29224572       1.71762872 
O       1.22145463       3.93171134       3.99166948      -1.22114469       1.49621935       2.34646164 
O       0.99308706       1.48369542       1.25576649      -0.52482762      -3.46020887      -1.34863430 
O       1.91427719       7.13010608       2.99220672      -2.54465277      -5.09461192      -3.76117582 
O       3.31157800       0.96384889       1.01016643       1.15763099       0.47168063      -0.12266458 
O       1.11111325       3.79562363       6.78159355       0.80769839       0.54497781       0.14803965 
O       1.10544946       8.82878133       6.00698213      -0.29367287       1.60787414       2.34963258 
O       6.56891178       1.29939862       4.17739262      -1.53305318       0.71652216       0.34500565 
O       5.70818144       8.99225029       8.65190422       2.43676096       1.88709073       0.05440576 
O       9.03108376       1.47427500       6.59823713      -1.84753192      -0.63768860      -0.35318738 
O       2.69516330       4.42811138       9.38764291       2.86241316      -0.51050577       0.16523720 
O       3.26534827       8.98359662       8.83045529      -1.89662274      -0.33785877      -0.97277182 
O       1.36456641       3.94839405       1.45002388       1.27227826       0.93884639      -0.78228185 
O       3.92941181       9.14905249       6.07217463      -1.09773843      -1.06463891       0.64007647 
O       0.29468486       9.61000749       8.48691169      -0.09331570      -1.94189939       0.91167819 
O       1.59136530       6.47313150       8.73669530      -3.40955633       3.16773750       2.40516001 
O       0.77840416       9.01683173       3.64465885      -0.31975260       2.72721257      -0.07159064 
O       4.21080481       6.39171075       3.75810084       0.69233028      -0.56474067       0.84526590 
O       4.39459945       8.88569673       0.87617354       0.08320846      -2.54286047       1.47881064 
O       3.56544761       8.82397368       3.40072878      -0.89203939       1.81358867       0.26905514 
O       0.43408114       3.62704549       9.32463744       1.80620440       0.55860441       0.61231185 
O       9.44777343       3.86702227       1.04102707      -1.81646029       1.20491553      -1.24432525 
O       5.93561364       1.04663214       7.09484608       3.59916684      -2.92537661      -0.40611324 
O       6.05253281       3.47702685       8.84132569       1.21008640       2.09506874       1.12431561 
O       3.84927798       1.10427024       6.74964903      -4.74325752       1.84145186      -1.90873367 
O       3.94260823       4.13153119       6.55471700      -2.32516837      -0.38689809       0.55564274 
O       8.60003488       3.42701726       8.95038057       0.47187970       0.19267698      -2.32198002 
O       8.51271339       6.41922628       6.39949394       0.61133744       2.66227277      -0.99956092 
O       8.88094445       4.11234717       6.35178806      -0.37237779      -2.23116682      -0.41939849 
O       9.89479771       1.29221012       9.51779712      -4.35505436       0.05494191       1.93295781 
O       5.69777521       0.79289315       1.88410188       2.11259916       1.60035418       0.83128059 
O       8.31491320       1.52743356       1.84071843       1.35564738      -0.03587492      -3.17669871 
O       7.22641343       9.06888098       0.91068039      -3.85548427       0.51500043       1.89002805 
O       8.62284314       9.22284548       6.18609796       2.40201386       1.05581659       1.10999686 
O       0.96794306       6.46143877       6.37959486       0.45446460      -1.28578415      -0.65441361 
O       5.84404705       6.10742405       6.89367776       3.78281002      -2.90067843      -0.56999898 
O       9.55660244       6.05014558       8.77757010      -0.15596600       0.76718966      -0.03581063 
O       6.16675276       3.06649476       5.92735110      -2.06100411       3.49438178       2.28559865 
O       6.29688028       8.52727480       5.94659373      -3.61253322       3.65278058       3.93064512 
O       7.07115636       5.60845666       9.60704859       0.02445321       0.98615373      -1.52896082 
O       4.17030690       6.47249547       9.12667450      -0.93658952       1.93758701      -1.94541601 
O       6.18670960       6.45822376       0.96320428      -0.56266699       0.66845679       2.42648354 
O       9.06896523       6.40305433       0.97171069       3.46634529      -4.39981987       5.20128520 
O       8.81769050       1.01128025       3.93634054       2.92665524      -1.25969881       2.11799552 
O       8.70307965       8.77143021       3.49728146       0.35835413       1.37169340      -0.96053991 
O       9.46122522       8.89652339       1.00364379       1.36099655      -0.12658929       0.63136085 
O       6.56986871       4.02221603       3.78477196      -0.29910965       3.31042420       0.33892487 
O       6.96314465       6.78717161       3.47971698      -1.06737696      -2.35361352      -1.20609178 
O       5.84942040       9.31029581       3.62967052       3.19184610      -1.27060510      -0.90967502 
O       8.35647437       8.44431887       8.91974768       1.08757264       0.47756347      -2.53464143 
O       9.90194685       6.12962287       3.82506338      -0.35156673       1.89790399      -0.92041115 
O       8.95278539       3.83315626       3.53118473      -0.23496552      -0.77990199       0.41049318 
O       3.53917965       6.03582729       1.29225847       0.08309760       7.18119338      -4.34633314 
O       4.03387684       1.88635473       9.58981013       1.71699456       1.33884924      -2.03390531 
O       7.31465899       0.52949971       9.66661320      -1.33705263       1.05703894      -1.26019570 
O       3.71434124       6.44164467       6.38611311      -2.96572504       1.57612074      -2.27589604 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0445578889513153 -0.0027012500955350357 -0.007470785788912194 -0.0027012500955350357 -0.009650258060986931 0.01084675566001119 -0.007470785788912194 0.01084675566001119 -0.014376843090182233" pbc="T T T" energy=-926.99781552 free_energy=-926.99785042 config_type=crystal 
Hf       0.06019897      10.19484786       0.09341691      -1.21871433      -0.10989633      -0.87783916 
Hf       5.32089038       2.73113375       2.95280567       1.68065238      -1.65769226      -0.96384711 
Hf      10.28151166       2.25879153       8.02039004      -0.32254569      -2.52478892      -0.94690249 
Hf      10.15892116       0.12044231       5.01996714       5.97811788      -3.52075759       4.19636059 
Hf       7.69393513       4.62533593       7.87117646      -1.39135822       5.01057609       1.36014697 
Hf       7.63219826       7.83332660       4.89730035      -2.07543203       1.19650789      -2.23870667 
Hf       7.90830185       2.27340611      10.31654988      -2.77185137       1.51233639      -1.83671045 
Hf       7.47143136      10.26532327       2.55964098       3.73722426       1.71108959       0.76730477 
Hf       2.12092394       2.70416371       5.55412462       2.27562003      -4.13090295      -0.57882203 
Hf       4.98309294       2.74155013       7.58979969      -0.24501435      -3.35408975      -0.73182530 
Hf       5.00418715       0.07260989       5.01100734      -1.15343932      -0.21954401       2.56137587 
Hf       2.38156026       2.59974474      10.37176965       1.80351024      -0.33804001      -2.62369300 
Hf       2.70982886       0.01321787       2.30237079      -4.12783830       0.70105783       1.54455477 
Hf      10.35859260       2.72572492       2.31535139      -2.15134823      -0.23637315       1.35188000 
Hf       2.00781624      10.10095285       7.76878102       0.58875432      -0.77062332      -6.36482695 
Hf       7.25878717      10.15301969       7.58902299       0.78863456       1.92246797       1.93789300 
Hf       2.59006863       5.42953801       7.58275196      -1.89181131       2.32160004       1.44809620 
Hf       5.05027317       5.32220295       5.23173814       1.15025043      -0.05878457       1.04368870 
Hf      10.22824644       4.99200177       5.36325274       2.39717222       2.65189515      -3.33882148 
Hf       2.62980816       7.66611911       4.57328971      -3.17758327       3.19589669       1.82241231 
Hf       4.97285312       4.98344638      10.31272563       0.84773715       0.75760811       1.47544128 
Hf       5.40784012       7.68202889       2.43640200      -4.38249122       1.20594794       0.94415082 
Hf       4.95404306       7.91275993       7.37898394      -0.79357435       0.09673744       1.26299317 
Hf       7.84621991       7.40310874       0.15955356       0.93424918       0.71535906      -3.29777036 
Hf       8.04078437       5.03389462       2.14362533      -3.29651032      -3.96834472       2.99522479 
Hf       2.66159663       4.91449767       2.57255899       2.05520107       0.99129731       0.63559515 
Hf      10.34994878       7.74032112       2.46949455       2.22680183       0.16488974       1.23147569 
Hf       0.24782946       5.17568483      10.33090647      -4.19365908       1.31982069      -2.61521917 
Hf       7.67141166       2.81515598       5.06722193      -2.38078310      -2.54108161      -1.81922861 
Hf       9.68661096       7.95660263       7.60157667       3.55627573      -3.75527785      -0.72753151 
Hf       5.24609672      10.40252929       0.24526985       1.04919182      -0.26815213      -3.06380614 
Hf       2.48377631       7.59035848      10.09612427       1.95226980      -2.00102775       2.84825403 
O       1.71703705       9.28619603       0.73981402       0.28685575       0.23108564       0.56197466 
O       0.97021360       6.71903079       0.60845599       0.73940754       3.38380296       3.22662666 
O       1.13320447       1.03071179       6.43541770      -3.71039231       2.48110460       1.51982670 
O       1.31188375       1.03162099       4.27487302       1.33526016       3.53765403      -3.02101364 
O       4.29159079       3.48682646       1.48791550      -4.44926448       3.46133912      -2.30540909 
O       1.67905657       1.14550863       8.81844941      -0.77716016       3.31927522       4.04375353 
O       3.91260644       3.67469894       3.94538438      -2.95653337       2.69485257       0.77322604 
O       6.49662582       3.76286118       1.30434065       1.87775140       1.41962647      -1.44677104 
O       4.01390607       1.16833636       3.84909241      -1.20861495       0.86840972      -2.71267962 
O       1.11453988       3.87024146       4.04905858       0.74161819      -0.05729088       0.00590270 
O       0.89628225       1.36596626       1.11215516      -0.41110825       0.81795183       1.10984210 
O       1.65602098       6.66997320       2.85145727       1.86278871      -0.17505878       2.71606671 
O       3.45008811       1.27699823       0.97441400       0.90502922      -2.69000342       0.28983666 
O       1.30923287       3.94734910       6.91485779      -1.99425397      -2.46430853      -1.35274534 
O       0.99840912       8.83265570       5.80019828      -0.04981510       0.29834500       1.78570010 
O       6.59062643       1.30811550       4.25233469      -0.24262561      -0.98298733      -0.22201923 
O       5.90487200       9.22657207       8.65464145      -2.47862692      -1.81438645       0.18128139 
O       8.75947352       1.52635534       6.82558927       1.67241847       0.04682745      -1.56974916 
O       3.06096128       4.37254758       9.44812164      -0.11044807       0.60539598       0.19292945 
O       3.03261201       8.93064697       8.85763193       2.12103953       0.78695649      -0.90490547 
O       1.27077199       4.11599747       1.37138074       1.19411107      -2.13408691       0.52423850 
O       3.75375329       9.16876066       6.23522065      -0.73724343      -0.39577633      -0.50789426 
O       0.22472826       9.42052604       8.67843918       1.50706417      -0.18656268       0.14589087 
O       1.29345968       6.48417429       8.90121811       2.43336741      -0.34535379      -2.53827293 
O       0.75775047       9.37266296       3.45038860      -0.25977287      -1.55371514      -1.96285527 
O       3.99811948       6.38557400       3.80593106       0.54643002       0.15389976      -1.76917695 
O       4.42570426       8.74024784       0.91989127      -1.07171612       2.30444120      -0.08113928 
O       3.52752889       9.15482428       3.35352726       0.36349929      -3.59801273       2.37184537 
O       0.42864521       3.55411377       9.25082488       4.56614552      -0.11379860       1.98857098 
O       9.28385798       3.87041949       0.96250660       0.55399986      -0.38965962       0.59564067 
O       6.45841477       1.34399101       6.98357687      -3.52662793       0.46920291      -1.96201116 
O       6.53201497       3.25362676       8.84903981      -3.22383589       1.54484226      -1.32188018 
O       3.45731324       1.17405415       6.62389554       2.25645515       2.50949739      -0.20779652 
O       3.78036412       4.18955874       6.61526721      -1.21582569      -1.27587649       0.26207828 
O       8.70992308       3.53367234       8.89683423       3.23630788      -2.18684601       0.07662992 
O       8.06637748       6.79219078       6.28576381       5.31044000      -1.67191280       2.78374178 
O       8.75649662       3.96982767       6.09749111       0.23980817       2.05120185       4.31381413 
O       9.43517286       1.25381873       9.61943847       2.70908160      -1.09365000      -0.27576624 
O       6.04412134       0.78376913       1.79472388      -4.03738534       2.77725747      -1.18675642 
O       8.15334940       1.76540062       1.66286954       2.87022366      -1.67512804       2.16539779 
O       6.85461026       9.20405917       0.95239824       0.27521151      -1.96231219      -0.22412382 
O       8.83512447       9.40341087       6.60237139      -0.03915097       0.14549975      -3.73080404 
O       1.00041905       6.28904151       6.21514983       0.57306279      -0.13708443      -0.15657799 
O       6.17078465       5.96802285       6.88305237      -2.74781287      -0.20435934      -0.64898320 
O       9.42062882       6.12217868       8.95603368      -0.89955908      -0.03722750      -0.79746167 
O       5.61149196       3.56496146       5.69695079       4.99499159      -3.93143851       1.90186019 
O       6.07132236       8.92627722       5.93367886       3.62615265      -0.80249733       0.64991204 
O       7.13333574       5.60306824       9.71435812      -1.33312345       0.57322717      -0.37685171 
O       4.28880364       6.57841153       8.80291558      -0.74242370      -1.06061365       0.54043215 
O       6.08903745       6.68631900       1.03551201       3.36238592      -1.91267152      -1.51804549 
O       9.28956489       6.32821095       1.38639315      -3.04874550       0.88553474      -2.11214025 
O       9.14554275       0.80091266       3.68663082      -2.67168813       2.09076108      -2.74638437 
O       8.58120012       8.48745866       3.26748767      -0.78642226       0.86694325       1.67498771 
O       9.27425786       8.92303281       1.08430282       1.52589222       1.09437396      -1.84670858 
O       6.70233186       3.98578580       3.72044157      -0.40078316       0.47146444      -0.37385160 
O       6.66946266       6.43142799       3.60459225       0.23245826       1.55864250       1.33508702 
O       5.89965062       9.35578767       3.52552607       1.95750745      -1.08295109       0.18133675 
O       8.45095611       8.43625152       8.86472623      -3.67945463       0.90054568       2.70902339 
O       9.85605717       6.22583320       3.84380991      -0.85244136       1.41626892       0.95097587 
O       9.04728513       4.00833690       3.69721268       0.66618772      -2.87192568      -1.45245270 
O       3.76574200       6.41806202       0.86753463      -1.12437319      -2.98788142       1.38800883 
O       4.24916260       2.30783750       9.37702945      -0.80835072      -1.13719663       0.10152162 
O       7.10594538       0.66978342       9.35772329      -1.06676798       0.70526378       2.42626052 
O       3.71559070       6.61751074       6.28054369      -1.37415256       0.46194531      -1.69124639 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.022050509189404845 -0.011655910688969656 -0.0010090874869917465 -0.011655910688969656 -0.0313930256046837 -0.005207700057334404 -0.0010090874869917465 -0.005207700057334404 -0.025710567096798323" pbc="T T T" energy=-929.97985787 free_energy=-929.97987013 config_type=crystal 
Hf      10.25114272      10.32687154       0.16549469       0.86220592      -0.54082966      -1.56731064 
Hf       5.28959393       2.36703778       2.19406593       2.61362773       1.50097486      -0.29478228 
Hf       0.04141371       2.86470203       7.48138503       0.37607503      -0.41397355      -1.28856533 
Hf      10.19236998      10.37389481       5.76905359       1.80453930       1.96562577      -1.86114886 
Hf       7.45362176       5.23406593       7.87785191       2.08770802       0.02534148      -0.65965287 
Hf       8.16350967       7.80248041       5.06582218      -2.50941632      -3.46063941      -1.87974723 
Hf       7.87676552       2.60351173       9.96804457      -0.01757581      -3.11780495       0.99820496 
Hf       7.88332249      10.26449288       3.02518750      -1.46005977      -1.75480719      -3.83515732 
Hf       2.72389721       2.29852363       5.10697329      -0.02168081       0.00560023      -0.37843079 
Hf       4.94917303       2.60417686       8.03325258      -0.76441838      -3.40116171      -4.25625322 
Hf       5.03689810      10.13368286       5.04539739       2.27939657       1.70717886       2.19747216 
Hf       2.58622534       2.81667620      10.13398795       0.27801056      -0.83329383       0.27651066 
Hf       2.66048627      10.35835764       2.35113742       0.54280460       0.20453193       1.55438154 
Hf       0.03000817       2.38247930       2.52862167       1.41353688       3.38210115       0.12832227 
Hf       2.68274924      10.33406632       7.80195835      -2.84300649       2.96643813       0.04445824 
Hf       7.60877355      10.17977475       7.89206239      -1.97084049      -1.60159600      -4.24808751 
Hf       2.47787379       5.29461247       7.26401933      -1.58825412       1.43626088      -1.39488497 
Hf       5.09386406       5.14173332       5.48455087      -0.14213650      -0.02727643      -3.91091069 
Hf      10.05337435       4.92007982       4.73117056       2.98495122       0.32873139      -1.44787183 
Hf       2.45283644       8.19395124       5.05862018      -2.97386964      -4.39859932      -1.08781156 
Hf       5.11511819       4.88069007      10.23190019      -3.32648464      -2.39964737       3.01923139 
Hf       4.69139115       7.67448977       2.29264152       0.05682658      -0.90293034       0.98650176 
Hf       5.04921201       7.56193029       7.79231982      -3.33473010       4.67322178       2.11141153 
Hf       7.63619572       7.93070559       0.01796900       1.82468744       0.64048242       1.00492090 
Hf       7.42039534       5.00371491       1.95647597      -1.18428345      -4.07666402       4.04694152 
Hf       2.55451223       5.18168762       2.61574965      -0.57992944       0.65051913       3.27943101 
Hf      10.18172816       7.60002066       2.52733245       1.59675074       0.34149101      -2.15184449 
Hf      10.44734305       4.94935933       9.92735921       3.67315120       2.69201590      -0.29428285 
Hf       7.63595647       2.23602011       5.13559992      -2.48692481       1.18794055       0.15880624 
Hf       9.92039196       7.61670096       7.68680660       5.23146234      -1.11161847      -0.32304982 
Hf       5.38106496       0.04192718       0.09839369       1.68791649      -1.22178358      -1.60325092 
Hf       1.97787066       7.71442711       0.07365505       0.40586586      -1.46191672      -1.41965011 
O       0.84303619       9.13847493       1.28888804       3.00227483      -0.94505820      -0.96082373 
O       1.24290929       6.79949787       3.40577726       1.74011034      -2.28754383      -0.38793207 
O       4.10015698       1.22785492       6.09936990      -0.00667477       0.90917210       3.50710142 
O       1.12654451       1.50563383       3.85940319       0.90289703      -0.50333307      -0.35347317 
O       1.08739391       3.58960926       0.62067873      -2.07277224       1.30727385       1.15704486 
O       3.00476417       2.24643366       8.27196462      -3.02335631      -5.23533809      -0.64288681 
O       3.57790731       4.06253151       4.14426490       1.61427243      -0.68904403      -0.36321325 
O       3.79316858       3.65691331       1.01460976       0.81325295       0.23588698       2.41901169 
O       3.94248420       0.95347396       3.95719842      -4.14785304       1.87113075      -3.36135127 
O       1.11017987       4.07920061       3.44391515      -1.40140609      -0.09072874       0.04967972 
O       1.97728738       1.28363087       1.15839211      -0.84484590       0.27544568      -0.87352232 
O       3.10395057       6.31374405       1.12905200       1.19317135       2.42708575      -0.91338814 
O       4.56222401       0.60033307       1.68369330      -0.92080753       3.04870678       1.52081677 
O       8.93785954       0.94395296       4.10990059       0.77683271       1.64285408       1.92633276 
O       0.91451154       9.15395768       6.68626175       0.63623856      -0.92370907      -0.33905137 
O       6.23508312       1.19633344       3.50698886       3.21131771      -2.55636977       3.07290730 
O       6.31807779       8.63037640       8.89230729       2.21887371       0.46966422       3.06998907 
O       1.41184391       1.05977884       6.25190231      -1.37701726       1.09091606       1.82512231 
O       3.68802367       4.18713518       8.88188201       4.90317637       3.29117710       3.04502464 
O       1.04620198       9.97713509       9.07267288       2.07746777       0.25299641       0.30546702 
O       8.89761669       4.17135331       0.08689133      -2.39366145      -0.34707311       2.04432042 
O       3.46910478       9.33797535       6.32101439       1.24342716      -1.16632277       0.47048074 
O       9.09366787       9.16917679       9.53321478      -1.91877496      -0.18532879      -3.28441450 
O       0.67081842       6.35362006       0.89080727      -1.48184861       0.15820376      -0.56425432 
O       1.53152533       9.11333721       3.53287785       0.70101160       1.73211448       1.84581817 
O       3.68594623       6.62913273       3.83754820       0.57653153      -1.39082075      -0.60519403 
O       3.88244411       9.13305229       1.14627811      -3.81630948      -3.31874328      -0.87418465 
O       4.02695114       8.92343848       3.97809566       1.05047919      -0.38212051      -2.62037814 
O       1.61638496       4.29544204       8.61053887      -6.39944348      -2.53683409       3.03503830 
O       6.62700223       3.68920561       0.62187136      -2.81205657       2.85166706       2.18753964 
O       6.49519069       1.30779293       6.79441203       0.84016879      -0.33104297      -0.48957618 
O       6.51957202       3.59356318       8.83252603       1.46065379       2.07699518      -2.66578447 
O       4.09472241       3.85087188       6.70458471       0.42143699       2.53262669      -3.00859125 
O       1.52196204       3.91461093       6.05500043      -1.32371437      -0.29992026       0.74030604 
O       9.28269529       4.37573381       8.05631977       0.44673849      -1.03247935      -0.24138360 
O       9.46169997       3.14254678       5.51370835      -0.23260098       0.13086105       0.94858984 
O       6.81942342       3.91621540       5.86500781      -0.77173911       1.87784248       1.96165511 
O       7.19856287       0.51053517       9.46092672       0.04672347       1.85593639       1.40359117 
O       6.91456882       1.49620295       0.96778827      -0.37890848      -0.99419221       2.76254970 
O       9.95231952       2.19578835       9.27487045       0.08367375      -0.95551778       0.22624354 
O       6.22330415       8.93523702       1.56382329       2.06808706      -0.60945810      -1.27463016 
O       8.93948756       8.99138484       6.54999402      -1.57933025       0.47708584       1.25592682 
O       0.99517727       6.85872735       8.80542454      -1.35139320      -0.14878748       0.24192913 
O       8.93696991       6.83819183       9.15307486      -3.01873947      -2.47199415       0.39105478 
O       8.29912672       6.43897454       1.30243036       2.28078888       5.36807893      -1.86830637 
O       9.03233971       6.20446991       6.41750721      -1.76259714       0.89651851       0.47869938 
O       6.10692346       8.80955314       6.47127606      -0.49881845       0.46912858       1.71746629 
O       6.28488863       6.05563824       9.41196678       2.45810612       3.21857420      -1.82912761 
O       3.74716084       6.62051433       6.48561098       0.75094796      -0.27918282      -1.48013491 
O       5.49101626       5.95861489       1.59263255       1.41955126      -0.62381000      -0.70152085 
O       9.33641191       6.55898072       3.90460671      -1.60048072      -1.64318181       0.95339828 
O       9.55191212       1.02126615       1.54655929      -1.44700553       1.11319929       0.39719838 
O       9.47215382       8.91801834       3.91668324      -1.32848780       2.26244105       1.54352858 
O       8.98992878       8.99552495       1.38343812      -2.76960216       0.24246146       0.47123788 
O       6.76193834       3.54555848       3.28658346      -2.08187401      -0.68554059       0.83849384 
O       6.85541166       6.59345554       4.15017631      -1.68312571      -1.24115269       0.22628660 
O       6.87209509       9.16087898       4.39781560       0.55491937       2.89224323      -2.52231812 
O       8.93432646       1.06522440       7.13191505       2.68711653       0.09228291      -1.72649440 
O       1.12805719       6.71050858       6.06773821       0.24659960      -1.24799322       0.57388682 
O       9.09257269       4.06078021       2.82276627       1.75053940      -0.81758204       1.19347069 
O       3.27327715       7.17690726       9.13034740       3.40953930       0.54916450      -1.34798531 
O       4.10105121      10.15641126       9.08323705      -0.24375432      -0.66534594      -0.67255509 
O       5.01969743       1.96760468       9.84287143      -1.31391837      -0.26927214       1.69813618 
O       6.01068727       6.28234911       6.91339022       3.91869715      -3.80044953      -1.51272340 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03549688482634486 -0.01708967415610413 0.0031424940887515916 -0.01708967415610413 -0.05023889106546124 -0.004597016654956797 0.0031424940887515916 -0.004597016654956797 -0.03588574026956617" pbc="T T T" energy=-926.3798012 free_energy=-926.37981143 config_type=crystal 
Hf      10.27086313      10.34835791       0.19849577       2.56926797      -2.38531028      -2.49289308 
Hf       5.28267682       2.39095242       2.19649984       1.63705812       2.81213301      -1.76996170 
Hf       0.03561711       2.91183719       7.49991355       0.00323619      -1.02307046      -1.56177558 
Hf      10.19077640      10.34909139       5.76643756       2.09333942       4.56143996      -1.59310961 
Hf       7.45716677       5.22962240       7.82671563       1.58832048      -1.12209383      -0.48511952 
Hf       8.17438657       7.81166094       5.03255965      -4.72257897      -5.16420765      -0.16325810 
Hf       7.90435411       2.57249546       9.95747570      -1.69282842      -4.54095430       0.06613493 
Hf       7.88609896      10.27186496       3.08040487      -2.27059982      -2.15611786      -4.75648495 
Hf       2.74253919       2.31914005       5.11857507      -1.01988191       0.55201411      -1.50820974 
Hf       4.98362180       2.57185043       8.05581666      -4.28109504      -4.00882882      -3.51759152 
Hf       5.01985023      10.16172108       5.06077695       1.96659307       2.24535595       1.56296036 
Hf       2.55857971       2.82605391      10.13954498       1.10359130      -1.05047529       2.55705726 
Hf       2.69759753      10.29062374       2.38543150       0.66205907       3.02985682      -1.21054836 
Hf       0.03679769       2.42460010       2.49949110       3.35926822       3.59461818       1.30123363 
Hf       2.67838494      10.34509811       7.74831866      -4.95629245       3.70232722       0.74065894 
Hf       7.62659487      10.16676338       7.88539929      -2.62925655      -0.26682427      -1.89519122 
Hf       2.48760872       5.28514768       7.29197172      -3.32609458      -0.20239388       0.63210215 
Hf       5.08689713       5.12929319       5.50434235       1.42565697       2.38902871      -6.96941473 
Hf      10.09738702       4.90859254       4.68718301       1.43673048       0.08480939      -0.12754018 
Hf       2.44897986       8.17249438       5.04814477      -1.30645030      -5.05066134      -1.57836298 
Hf       5.08311559       4.89570467      10.22443005      -1.36664961      -0.30465375       4.66674404 
Hf       4.65937997       7.68609898       2.28959512       2.66236878      -4.02196372       1.90312691 
Hf       5.05296079       7.55713876       7.81401719      -1.82958781       1.36145637       1.09625671 
Hf       7.69900873       7.88089841      10.46211159      -0.70467016       3.79427468      -0.03750472 
Hf       7.42440149       4.99694014       1.97812917      -1.62193926      -3.10379638       2.90804651 
Hf       2.50159324       5.18006033       2.57739888       1.00371041       1.58961087       2.37394220 
Hf      10.12471793       7.60167872       2.55778930       5.03070114       1.52878140      -5.86783498 
Hf      10.46548798       4.96490980       9.90587900       1.20390678       1.21685511       0.40060517 
Hf       7.61074643       2.23310684       5.09797445      -2.76074273       2.06654659       0.82781462 
Hf       9.94227720       7.64635411       7.68387492       3.00907171      -1.55951295       0.68678271 
Hf       5.37553556       0.03961049       0.13827535       0.72138878      -1.32451913      -1.20227833 
Hf       1.94754338       7.71397634       0.05156006       2.92912330      -0.24889556      -3.02062181 
O       0.94405679       8.95615278       1.20829547       1.06789723       1.77966530       0.54379893 
O       1.35432272       6.82097022       3.45383846      -0.54883323      -1.01912694      -1.96083424 
O       4.03163016       1.24493167       6.09083492       0.79702455       0.12005493       3.19281181 
O       1.05430449       1.56364086       3.99576522       0.10340643      -0.22250796      -1.42716481 
O       1.07288284       3.56311690       0.61681126      -3.49654342       2.60820824       2.09172360 
O       2.91237484       2.32057623       8.36805627       0.01997510      -4.45064849      -3.47851080 
O       3.55017387       4.09322124       4.06972797       1.04314380      -1.24078034      -0.39560173 
O       3.77434794       3.67068777       1.03809821       0.53622861       0.49336417       2.09404057 
O       3.92692578       0.96154612       3.81405964      -4.27281488       1.08796664       0.40333228 
O       1.04314313       4.10061320       3.54217068      -0.05932250       0.29083923      -0.50186599 
O       1.88034912       1.35400664       1.17793010      -0.14416101      -1.42630754       0.44010455 
O       3.13738736       6.42519714       1.08703136       1.26620420       0.52616002       0.86876250 
O       4.48170513       0.66413785       1.73531731       0.44413028       0.20983023      -1.63442842 
O       8.87784499       0.93243428       4.22769276       1.37594798       0.34403698       0.69280639 
O       0.75903939       9.16252019       6.83617039       2.33609188      -0.83392042      -0.70546208 
O       6.12965248       1.34075758       3.54674315       4.58585807      -4.93058806       4.21904968 
O       6.25876803       8.54034887       9.01812022       1.73344196       1.37512310       2.09624458 
O       1.47006822       1.15712863       6.30170551      -2.37989305      -0.65707909       2.05908968 
O       3.64484452       4.39701222       9.00537930       4.15732458       0.68126898      -0.62687848 
O       1.06252203      10.01323637       9.13650718       1.98172445       0.24867888      -0.11244826 
O       8.89104056       3.99375079       0.06918483       2.18381068       4.45327231       2.69265411 
O       3.51084670       9.34740833       6.35033252       0.73474652      -2.64094678      -1.12977458 
O       9.11305682       9.17746969       9.60184374      -1.90744272       0.34018838      -4.67099135 
O       0.79381375       6.38751924       0.81843800      -3.64467241      -2.26216040       0.10124940 
O       1.64649873       9.23160140       3.58553937      -1.51715662       0.28694708       2.94856621 
O       3.72797315       6.58668653       3.82738834      -0.02184025      -0.74874243      -0.27219283 
O       3.79007801       8.96883698       1.20249291      -2.81620591       0.69779237      -1.98386791 
O       4.14236465       8.88388168       3.93455794      -0.01176573       0.09931544      -1.30650279 
O       1.60957827       4.28547843       8.70526457      -6.85661587      -1.42249711       2.53803471 
O       6.62649671       3.74241651       0.56651468      -2.37784690       2.90523395       2.57578596 
O       6.46288248       1.18110962       6.69111304       0.00333096      -0.39171630      -0.12449878 
O       6.46577376       3.39478115       8.82484593       2.93725944       3.77384385      -2.31138735 
O       4.23105764       3.87317305       6.51763274      -1.76658250      -1.80344224       2.73879552 
O       1.54924889       3.85740247       6.22790844      -1.10422967      -0.16089879      -0.46930075 
O       9.25984873       4.48044322       7.96238667       2.12829673      -2.24317737       1.47217207 
O       9.42077472       3.15181575       5.60226736       0.75931471       0.97073333       0.07218337 
O       6.87240196       3.86167425       5.91488805      -1.07538777       2.30871887       1.97874044 
O       7.19818839       0.57345859       9.50685953       0.02576631      -0.71259790      -1.76072410 
O       6.91628977       1.56373851       0.91544712      -0.73671055      -1.72120794       4.58856679 
O       9.89944585       2.17090831       9.26291543       0.68166316      -0.94009818      -0.30791319 
O       6.38378930       8.96148918       1.53847195      -0.15173441       0.01072787      -0.71579788 
O       8.92311486       9.06771881       6.53948323      -2.55266895      -1.06491182       0.64088695 
O       1.07584058       6.92693264       8.57102823      -0.82847418      -0.99861041       0.98619144 
O       8.94126702       6.86774199       9.28876077       0.23839634      -2.78954055      -2.41828792 
O       8.16080542       6.52930622       1.18850671       2.55137953       0.19376952       1.69050910 
O       9.03605290       6.18647526       6.44044598      -1.62907015       2.32542409      -0.29577986 
O       6.07908546       8.75091667       6.57301171       0.17719067       1.54313074       0.25662591 
O       6.38293997       6.00440022       9.37926210       1.07984786       1.79242189      -1.47691817 
O       3.65971050       6.48811983       6.51008870       3.83174870       2.45136956      -2.04050423 
O       5.45179271       5.81534433       1.69127774       1.21682924       0.11022211      -1.05132883 
O       9.32980533       6.61331840       3.82001899      -3.06810560      -5.34833432       3.64834094 
O       9.70449791       1.05462507       1.54845995      -3.62195385       0.28552098       1.30033785 
O       9.37877564       8.83780277       3.90522442       0.37937664       4.77330965       1.04439627 
O       9.06559490       8.95210990       1.34396547      -1.94567522       0.76575613       2.01307003 
O       6.83125807       3.47107619       3.28246344      -1.71857343       0.61619044       0.58038286 
O       6.66370436       6.68989540       4.05903894       0.70994745      -0.87328231       0.56490862 
O       6.87147528       9.14081904       4.37949358       0.05464126       3.63564122      -1.51240841 
O       8.85019883       1.11024947       7.11314466       2.91313395      -0.48328227      -1.42946756 
O       1.12527485       6.68355288       5.85963196       0.00657097      -0.62678829       1.25160929 
O       9.09396584       4.03759328       2.88119153       1.81961300      -0.15931248       0.73972466 
O       3.39096151       7.21399277       9.14826773       2.84733831       0.51005010      -1.68400665 
O       3.90880470      10.16405954       9.09637998       2.76485331      -0.50674916       1.60833842 
O       4.92464225       1.90908062       9.99192477      -1.70625523       0.91064458      -1.15118230 
O       6.12983146       6.21261282       6.79513430       0.53738182       0.23867130       0.30831812 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02733778098580029 -0.00782301297327731 0.014009274644634737 -0.00782301297327731 -0.006961197682706819 0.004495415496952932 0.014009274644634737 0.004495415496952932 -0.02338858981183306" pbc="T T T" energy=-931.32788 free_energy=-931.3408778 config_type=crystal 
Hf       0.12441706      10.44436395       0.40402881       0.10311350       2.30324196      -0.65957222 
Hf       5.20865860       2.71268738       2.20137814       0.32111637      -3.53782844       3.32224391 
Hf      10.36235332       2.86928152       7.40833514      -3.16702640       1.89252926       2.45753976 
Hf      10.33418480       0.06326860       5.58722911       0.95308668       1.22418204      -2.09768120 
Hf       7.70731052       5.07354843       7.29922281       0.21302453      -1.50277704       4.26084777 
Hf       7.63312002       7.48819612       4.87479676      -0.12598889       0.30748276       1.90917781 
Hf       8.03564683       2.22313507      10.13099556       0.32611171       2.60499845      -0.91777682 
Hf       7.76212808      10.40012416       2.94779790      -1.18771055      -0.18170111      -0.06692945 
Hf       2.71302042       2.64251832       5.14465569       1.27465906      -0.98681385       1.68685982 
Hf       4.93455008       1.86997220       8.04302393       0.79748871       2.77392938       2.84555003 
Hf       5.08610076      10.42961770       5.34512539      -2.65296435      -1.91961724      -0.69310131 
Hf       2.40449893       2.69063562      10.44263839       3.31843843       3.89983689      -4.18441275 
Hf       2.78024775      10.05356850       2.57427639       3.28226313       0.50606013       4.07878314 
Hf       0.26906057       2.77848012       2.39818362      -2.84100043      -2.43339123       0.98619390 
Hf       2.34302748       0.09603073       7.55378476       3.80683797      -3.11152723       2.42595820 
Hf       7.60153648      10.15945316       7.58280753       4.14297453       3.27719596       2.66259304 
Hf       2.40884680       5.20630841       7.52634448      -3.21544391      -1.00479776      -4.13852759 
Hf       5.18247708       5.21609096       5.05466092      -3.34019268      -1.34035680       2.97121325 
Hf       0.00087633       4.85554460       4.60853695      -1.01814293       0.18008519       4.49158756 
Hf       2.39869521       7.54865360       4.92115700       2.14936161       2.20886375       3.42170906 
Hf       4.87180719       5.20682691       0.14607790       2.15371841      -3.65173657      -6.16151368 
Hf       4.75987778       7.35223579       2.36880625       3.21679557       2.56711213       2.33785589 
Hf       5.23568965       7.63057548       7.98491956       2.15657851       0.85146141      -4.12762027 
Hf       8.12759459       7.81975811      10.26226944      -0.35610883       0.55453653      -0.48386753 
Hf       7.52567401       4.80935915       2.36899580       5.92191420       3.62326952      -4.39295112 
Hf       2.32310758       5.33108415       2.27888600      -1.43944070       0.71709270      -0.42799194 
Hf       9.91789002       7.70889217       2.41894364       1.28645363      -1.34534204      -0.19994131 
Hf      10.26459419       5.17323344      10.04085625       0.83942256      -3.71912668      -0.11238831 
Hf       7.26643346       2.44706559       5.02724910       1.45697799       1.50248586       1.13146769 
Hf      10.17368646       7.84596066       7.63495339      -1.96225491      -2.08426389       1.63652253 
Hf       5.45738439      10.27711815       0.29677643      -0.48715679      -0.07333857      -1.38867656 
Hf       2.15526333       7.75923271      10.10143995       0.88521332      -4.95716550       0.83686353 
O       0.92791738       9.54953410       2.25688825      -0.18474117      -0.56744472      -1.70666645 
O       1.26448159       6.87045682       3.23336461      -1.63505885      -0.46955419      -1.70019980 
O       3.73581108       1.11236187       6.62146487       0.38634348      -0.13402112      -1.19141761 
O       0.56269012       1.80045528       4.17738351       1.93298133       0.32236827      -0.57919425 
O       1.15656649       4.23579171       0.80433061       1.68768801       0.41493172       4.71021660 
O       2.73877931       1.52400536       8.95485005      -1.43332580       0.44428866       0.29699704 
O       4.34273775       3.43057608       4.32557988      -1.32061887       0.11247885      -2.72278627 
O       3.72199235       3.70818984       1.46582135      -1.71319277       2.82984064      -0.06479157 
O       3.43840480       0.74666373       4.45002928      -1.86283755       0.44049196      -3.64106726 
O       1.71506490       4.11080582       3.62979978      -1.38742385      -1.90084596       0.83811462 
O       1.20494493       1.73120462       1.02325379       0.96602700      -3.49827961       1.07135422 
O       3.38647319       6.34504950       1.01274928       1.26692829       0.74475290      -0.95375552 
O       3.94751080       1.12682165       1.54172872      -0.36562764      -1.73831407      -0.69502197 
O       8.78415157       1.01572095       4.38320479      -2.29970463      -0.76553168       0.48212354 
O       1.13611407       9.00607331       7.15135539      -0.55755474       0.85233966      -0.61615950 
O       5.88981239       1.39217750       3.97879846       2.04726268      -0.16473947      -1.06841618 
O       6.46643491       8.63273234       9.43248043      -0.41179957       0.53550239       0.79307837 
O       1.11190721       1.35032578       6.79312343      -0.75677655      -1.07273607      -1.64409456 
O       3.33088322       4.86006328       8.95271903       4.08573354      -0.38822890       7.21926518 
O       1.44766689       9.34854213       9.62979520      -0.94872892       4.13383756      -0.26720826 
O       8.84926117       4.13685556       0.49954796      -0.56025346      -1.79503720       1.60400064 
O       3.64489539       8.58550435       6.39930701       0.35212797       1.08369641       0.58091038 
O       9.07879488       9.18718703       8.85294140      -0.57640480      -1.34398306      -0.11358932 
O       0.42998467       7.00041385       0.56582130       1.49089956       1.21201808       3.13099545 
O       1.57830683       9.41315386       4.79795183      -1.62318455       0.32477367      -1.14578282 
O       3.59566720       6.33365453       3.72463757       0.35740825      -2.65348153      -1.12410062 
O       3.93076363       8.73341069       1.23779017      -2.96723892       2.84785075      -1.98639841 
O       4.17536584       8.67975572       3.89033605      -1.98001155       1.45847489      -1.38772830 
O       1.02750663       3.92800620       8.98749193       2.55457577      -3.63329487      -1.26159784 
O       6.47403076       3.71419586       1.14743107      -0.51427266      -0.33322563      -1.71980043 
O       6.49325780       1.71407312       6.64321039      -1.13957798      -2.06569987      -1.05329720 
O       7.44750050       3.28226825       8.57732323      -0.92512947      -0.35267565       0.81330233 
O       3.83219421       3.58257095       6.62455607      -1.54112939      -0.76994952       0.90947915 
O       1.15202186       3.82923050       6.14233103       0.49551309      -0.29800716      -0.23081329 
O       9.39671460       4.32582290       8.44530415      -0.28438289       1.03868457      -1.36918627 
O       8.98790671       3.94802637       6.10801487       1.59626452      -1.57287081      -2.91749048 
O       6.56975892       4.19832627       5.95899743      -0.00141583      -1.47333453       0.18343867 
O       6.57351722       1.02740699       9.25858703       1.64603099      -2.17175966       0.90993255 
O       6.63394509       1.05168595       1.43719619       0.45516049       0.10208431      -0.28564045 
O       9.95527999       1.30909942       9.65962177      -1.61537525       1.46581519      -1.31370190 
O       6.15246995       8.99204798       2.23956166       2.05437276       0.92835325      -1.96702835 
O       9.04365304       9.27234673       6.38056372      -1.01412863      -1.63692967      -0.20863103 
O       1.03405114       6.47639780       8.76459369       2.88911166       2.10472492      -2.03906881 
O       9.30628401       6.58873822       9.34272052      -5.09632290       5.15302801      -2.98216498 
O       8.29975322       6.55853946       1.34585295       3.42377961       2.57119394       1.77187381 
O       9.02678561       6.46717927       6.65436244      -0.69364701       2.17129590      -1.24490959 
O       5.90706498       9.65127644       7.07330433      -1.23636515      -2.36285101      -0.85406037 
O       6.19559049       5.92709049       8.90765335      -0.62982343       0.49024517       0.82197445 
O       3.78604874       6.05520986       6.43445816       0.69305901       1.50058593      -1.43861107 
O       6.17175455       6.17535179       1.43385328      -4.11220450      -0.19791797      -0.86878135 
O       9.15067559       6.19463335       3.92121929      -1.21230373       0.80874380      -1.13445494 
O       9.35558515       1.36309716       1.69049518      -0.65486937      -0.65929880       0.72004651 
O       9.04024933       8.69607096       3.96212089      -0.03863493       1.51042380      -2.73461665 
O       9.06935729       9.41856603       0.88215173      -3.00499506      -3.66925627       2.74891060 
O       6.42181520       4.08464482       3.60135851      -1.60920318      -3.92959410       2.14807723 
O       6.20410683       6.40226099       3.92974799       2.06893069       3.01018607      -1.97183339 
O       6.66780377       9.42142540       4.71348907       2.51318985      -1.34014565      -1.00242810 
O       8.90248807       1.29582818       7.25973844       1.38465835      -0.49735105      -1.67769185 
O       1.06494464       6.22624599       5.72558631       0.10641303       1.13862257       0.12849431 
O       9.13089604       3.60336132       3.18531638      -0.11855444       1.82812535       0.98299376 
O       3.79550254       7.39221562       9.04198138      -2.89344653       0.02791824       2.48207497 
O       4.52067414       0.00109790       8.71543029      -1.39217626      -1.15361515       3.21495985 
O       4.94595279       3.09950348       9.69630675      -1.58268801       0.02121701       0.82663633 
O       6.37617786       6.59591112       6.38518036       0.70492024       1.74013588       0.07045996 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.024472420194486463 -0.021675208175650346 -0.008185236571141459 -0.021675208175650346 -0.0076026436485622205 -0.02203464083901829 -0.008185236571141459 -0.02203464083901829 -0.023741048287801856" pbc="T T T" energy=-929.73798156 free_energy=-929.7382806 config_type=crystal 
Hf       0.17485681       0.04430437       0.46964090      -2.04827114       1.31872408       0.56719826 
Hf       5.14109865       2.69253189       2.29344375      -0.48975000      -0.53253616       1.10858060 
Hf      10.23373387       2.78955084       7.38175016       0.77124634      -0.05501940       2.32464315 
Hf      10.40843118       0.16195523       5.44814325      -1.85711296      -2.27349290      -3.61216663 
Hf       7.76704855       4.98551178       7.25843582       0.83028136       0.88308603       3.78904386 
Hf       7.42744108       7.36618629       4.92998179       9.12853394       7.45973123      -1.79811884 
Hf       8.02748246       2.21124808      10.24168075       0.39908545      -1.50061686      -1.54330312 
Hf       7.66102218      10.45273262       2.77800610       1.17963678      -0.83044265       2.84211814 
Hf       2.70256196       2.73597730       5.15305230      -2.12899266      -3.61351411      -0.98416176 
Hf       4.90575756       1.70069931       8.12072332       0.91686362       2.59845972       1.96752241 
Hf       5.09055538      10.39826902       5.33929007      -1.03886793       0.08855455      -2.50358031 
Hf       2.49703269       2.69352765      10.46467005       1.74192103       1.88031095      -1.02683015 
Hf       2.77992979      10.08610372       2.69102392       0.12281426      -0.27440790       0.42818745 
Hf       0.24707286       2.73707279       2.42834145      -0.10465215      -2.28382314       1.30898456 
Hf       2.31619727       0.03167679       7.64413371       2.38220097       0.17154809       1.20764804 
Hf       7.67554414      10.26229498       7.53125773       4.15072430       2.19706995       0.28555935 
Hf       2.35675641       5.11368443       7.56154765      -0.91132093       0.54737806       1.99018669 
Hf       5.15290693       5.23003539       4.91580134      -0.78686838      -2.21083529       0.43806806 
Hf       0.05620318       4.86878613       4.76113812      -2.26545932       4.10301482      -1.77141238 
Hf       2.42654640       7.42772043       4.99214788      -1.02316390       3.22573990       0.39229789 
Hf       4.85677522       5.20199655       0.11516965       2.01197340      -3.69859787      -3.60334444 
Hf       4.90799199       7.30895187       2.43978938       0.73961477       3.58172276      -0.82131203 
Hf       5.32357287       7.65866215       7.97420322       0.40870702       0.85597047      -1.67999411 
Hf       8.15270604       7.84739464      10.23745021      -3.48685712       4.33471278       0.53717415 
Hf       7.73296296       4.85103085       2.39933239       0.88782359       1.70349388       0.13048840 
Hf       2.32070873       5.41982747       2.17427089      -0.83127698       1.73605685       1.30629190 
Hf       9.91308823       7.74880303       2.30809392       1.10278893       4.05072970       8.69216823 
Hf      10.14886565       5.16616907      10.14197889       1.02561168      -1.94852387      -2.11098560 
Hf       7.19476657       2.56520356       5.07809129       3.22915034      -2.54007714      -0.29856871 
Hf      10.18034872       7.86409702       7.62836742      -2.47820673       0.09253036      -1.44648329 
Hf       5.47889965      10.17059055       0.28632823      -2.79535322      -0.68695798      -1.82925843 
Hf       2.30245505       7.75444683      10.03144975      -1.59886268       1.11958259       1.68521103 
O       0.98008270       9.70860035       2.22909358      -0.91448173      -0.53226454      -3.06906801 
O       0.96085294       6.65274228       3.41611033       3.38527397      -1.53980171       0.02498636 
O       3.49647598       1.41580830       6.63287481       2.81909979      -2.53345122       0.78148829 
O       0.77320769       1.56665931       4.02811310      -0.09848062       1.44067501      -0.49445304 
O       1.08766090       4.25581973       1.20674731      -1.64223222       0.30013896      -2.88204299 
O       2.35887310       1.40505585       9.13485090       0.34069998      -0.31247266      -1.63531756 
O       4.21397115       3.40568358       4.13753806      -0.00738358      -0.27852804       1.10843266 
O       3.68161322       3.99878838       1.76188325       1.22825246      -1.28108958      -2.34454796 
O       3.29095760       0.68230183       4.26897155       1.37397241       1.07326562      -0.11415796 
O       1.76442538       3.98784701       3.54265202      -1.95877490       0.31394343       2.08130276 
O       1.36800173       1.57856660       1.12780391       0.18587383       0.61703968       0.56411949 
O       3.56824826       6.70464531       1.01136324      -1.86016486      -0.77149024       0.93051654 
O       3.70092368       1.05243858       1.12579209       3.10705884       1.69554850       1.52733761 
O       8.58416143       0.80695407       4.50840231       0.45035484       2.53074492      -0.51692985 
O       1.04832547       9.16227810       7.11441703      -0.71192606      -0.07343580      -1.45992933 
O       5.96586263       1.53474127       3.91720718      -0.64748179      -1.95856537      -2.48632887 
O       6.46102232       8.80140269       9.30317189      -0.37137280      -2.75104032       1.57233113 
O       1.20000718       1.31154893       6.38652684      -0.48187237       0.57124572       2.73664390 
O       3.17512031       5.06958551       9.69616305      -2.99274365      -0.56098325      -2.15402163 
O       1.28388268       9.58076911       9.56494620       2.01369725      -2.41875615      -0.02553623 
O       8.97549076       3.79803567       0.61854279       0.86030408       3.26957541       0.70606693 
O       3.75820446       8.79244749       6.53209295      -0.60141543       1.17077805      -0.19102014 
O       8.94558150       9.30984200       8.77862279       1.43487133      -2.64636095       2.59300009 
O       0.66644743       7.37807704       0.90456687       2.45405740      -2.59788990      -4.56864878 
O       1.22242610       9.23561047       4.40718338       0.74595672      -0.95284713       2.56955563 
O       3.86713960       5.71799005       3.48713385      -0.46632666       2.49110425      -0.50194475 
O       3.83774705       9.10005612       1.13868227       0.07167287      -1.13524018      -0.19553748 
O       3.82856390       8.35546355       3.92563906       0.59697239       1.33560178      -2.08826244 
O       1.25500832       3.63747506       8.91158226      -0.70881332       1.48007752      -0.24260443 
O       6.43248193       3.88162377       1.19227444      -0.28963591      -1.05115006       0.37155574 
O       6.12156337       1.74720890       6.50910153       0.11127861      -1.06632238      -0.10980522 
O       7.44339534       3.16590420       8.67725200      -0.14751994       1.15443038      -1.23765468 
O       3.27440352       3.63952811       6.80791981       2.11758118       1.41227311       0.25257438 
O       0.96165884       3.85191808       6.09543345       1.47302501      -0.72208767       1.56203513 
O       9.44847404       4.39343079       8.40584082       0.59338008       1.16144793      -0.12710701 
O       8.91648327       3.75232967       5.74717149       0.84520737       0.99664293       1.99824871 
O       6.56511464       4.20023384       5.99640876      -2.01851574       1.17846336       1.33982502 
O       6.96841051       0.62964963       9.24659925      -1.12858378       1.45124474      -1.04839407 
O       6.79975115       0.92516676       1.01954729      -0.47845368       1.64320849       3.04106128 
O       9.92151143       1.45712749       9.59545591      -1.66220658       0.84863914      -0.27109241 
O       6.14728730       8.88275573       2.46575760      -0.31130062       1.53644708      -2.81232223 
O       8.96090653       9.12039038       6.38104422       0.33450465       0.68622781      -0.73068976 
O       1.16859623       6.58498870       8.61757634      -1.22831112       0.79558962       1.85856399 
O       8.76294129       6.72439011       8.89321575       1.58579466      -2.15865905       0.38197859 
O       8.58534767       6.76939237       1.46167412      -2.66294080      -3.93617927      -4.48955844 
O       9.18435959       6.74214895       6.25374635      -2.51968471      -2.75400227       0.12136038 
O       5.96663273       9.82806689       6.91266596      -1.34191942      -3.10016709       2.19860633 
O       5.98965931       5.82250060       8.80268731      -0.03356431       0.87258952      -0.59012807 
O       3.94994744       6.30474374       6.02111244      -1.77055920      -0.61928021       1.56438288 
O       6.04055707       6.43896972       0.98532250       2.02011259       1.57839564       1.36541074 
O       9.14344606       6.40871340       3.68482478      -2.25559812      -2.22760579       2.03327296 
O       9.53667752       1.38608649       1.75872968      -3.33737685      -0.95468146      -0.13484551 
O       8.49118756       8.85520325       3.44943418       2.48228386      -3.54437227       1.55155399 
O       8.93553165       9.38983171       1.39073913       0.70747128      -0.40772467      -5.40504387 
O       6.37734934       3.86866578       3.70060917       2.48097459       0.87314482      -2.55144900 
O       6.45642787       6.34756044       3.68199461      -2.12226222      -1.36210704      -1.37745093 
O       6.90982836       9.74398186       4.61313653      -4.62864707      -1.35935732       2.42050527 
O       9.02189664       1.39576762       6.97945099      -1.02957295      -2.11512710      -0.60615532 
O       1.08736481       6.32944272       6.03707298       1.54226939      -0.94708490       0.81935333 
O       9.19717890       3.83046949       3.32609274       0.32398297       0.19134718      -0.60864452 
O       3.68338117       7.31902099       8.83939929       0.29157874       0.29423492      -0.64481131 
O       4.35415899       0.00089036       8.92113466       0.23364496      -0.57818370       0.77885913 
O       4.98456449       3.21849853       9.67055906      -2.05567863      -2.35316353      -0.52678177 
O       6.46095460       6.76516423       6.43181566      -0.94704354      -0.83009773       1.28756758 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011384409897887832 0.0044072517463612714 -0.00505651714350618 0.0044072517463612714 -0.009358324959524962 0.011105091510520188 -0.00505651714350618 0.011105091510520188 -0.013798288767290444" pbc="T T T" energy=-932.73817136 free_energy=-932.73836508 config_type=crystal 
Hf       0.19389965       0.14284950       0.51624741      -0.51941840       0.78660806      -4.58151130 
Hf       5.07565245       2.64946568       2.39971807      -0.17298178      -0.07918462      -2.84196053 
Hf      10.11520416       2.71239161       7.40619794       2.18523442       0.23359471       2.13990974 
Hf      10.45064241       0.21815255       5.24890375      -0.64103868      -1.79584916       0.15290005 
Hf       7.84096902       4.92620045       7.30768881      -2.08615553       2.61436540       2.61408377 
Hf       7.38960493       7.37542407       4.95651078       5.60873949       3.43045254      -2.21689651 
Hf       8.02455831       2.19040977      10.32139206      -3.47118409       1.91744547       0.12296182 
Hf       7.58225010       0.01866542       2.67313938      -0.35475283      -0.06517049       2.86858740 
Hf       2.65149026       2.75438912       5.15517140      -1.70076037      -2.80492623       2.57800979 
Hf       4.89843070       1.58827107       8.23506185       0.98016641      -0.01728664      -0.59663866 
Hf       5.04968675      10.37318364       5.28866317      -6.10517933       3.10016734       3.79428382 
Hf       2.62283370       2.73852069      10.45826840       0.65331185       0.93887017      -1.70930243 
Hf       2.78723279      10.10117474       2.80296328      -1.82177449      -0.77312221      -3.52048604 
Hf       0.21606350       2.65779300       2.48010466      -1.22028455       1.58720059      -0.21043163 
Hf       2.33978118      10.42602748       7.75554044      -0.33410466      -1.30556795      -0.94164205 
Hf       7.81986749      10.39328565       7.48251862      -0.50770510      -3.18844199      -0.77266037 
Hf       2.26310360       5.06510221       7.63794808       0.60940734      -1.57395179       3.03474793 
Hf       5.09410981       5.20321942       4.79465759      -0.76966378      -1.84555450       1.09671149 
Hf       0.06902825       4.95489417       4.89131368      -1.81760973       1.23515726      -0.28646412 
Hf       2.43777883       7.37565977       5.07436208      -1.88072856       3.16067181      -0.58120512 
Hf       4.88651597       5.13865898       0.00575191       0.93094237       0.69471673      -0.89307376 
Hf       5.06588205       7.33989373       2.48432547      -1.05226416       2.58030261      -5.20408322 
Hf       5.42106102       7.70872052       7.92970785      -2.47811553      -1.75445792       1.43864224 
Hf       8.10985920       7.93589285      10.21271418      -4.56332264      -5.37171724      -1.53055115 
Hf       7.96668273       4.94029466       2.42486992      -1.04261384       0.21622941      -1.68993430 
Hf       2.30164423       5.54314725       2.07957491       0.75077661      -1.28339181      -3.49606972 
Hf       9.91622422       7.84005836       2.33804599       0.79908759      -0.60260128       0.73416916 
Hf      10.06100358       5.12764707      10.20080909       2.54899579       1.79875973      -1.12300426 
Hf       7.18444795       2.63959280       5.12352307       0.87109343      -2.19220220      -1.21805599 
Hf      10.14111386       7.87548738       7.60327324      -1.29788967      -0.77095542      -0.55983739 
Hf       5.44918171      10.05335886       0.24723927      -0.53591947       0.78535864       2.05479613 
Hf       2.41754714       7.77369888       9.99235504       1.71609443       0.41941956       0.88243919 
O       0.85434293       9.56433058       1.83346494       0.86069045      -2.35336689       3.22766493 
O       1.21060191       6.22081591       3.59062615      -0.73132601       2.72035745       1.47447650 
O       3.70619205       1.24513011       6.73837474      -1.60921460      -0.92158479       0.55247752 
O       0.98703875       1.53069169       3.83922237      -1.10295035      -2.59456139       1.58054118 
O       0.80557483       4.33615357       1.24608463       1.88008487      -1.01085910       0.49674888 
O       2.04922241       1.30907744       9.06872388       0.63463988       1.46721218       1.68373920 
O       4.13969755       3.36121061       4.11561357       1.95936288       1.16663944       0.65986098 
O       3.72204698       4.05896317       1.54465224      -0.90285110      -2.04019819       0.07754236 
O       3.40048063       0.93516460       4.09080240       1.00323994      -0.95423850       0.58993236 
O       1.42433595       3.85092986       3.87095892       0.91989068       0.13902313      -1.19770470 
O       1.59305936       1.46821486       1.30246249      -2.11641136       0.80212316      -0.16756989 
O       3.51361857       6.87853317       1.19434246       1.18369113      -0.45552803       0.10002507 
O       4.07423189       1.32436343       1.03900657       0.79860482       1.07056062       1.90575423 
O       8.38164265       1.03718284       4.45652230       0.95012698      -0.11686879      -1.83325857 
O       0.80576270       9.31350873       6.79283822       0.68102805       0.46793306       1.26081786 
O       6.00504295       1.27212318       3.44674699       0.39342024      -1.15629815       2.44316838 
O       6.38212988       8.51513736       9.56681180      -1.40865502       1.10612180       0.12227655 
O       1.15163105       1.36443422       6.44715921      -0.48541224      -0.54851020       0.14614723 
O       2.70150467       5.12833951      10.23570706       1.28700843      -0.52353319      -2.34800056 
O       1.46045920       9.42870171       9.52522342      -1.05441769       0.96264110       0.21470559 
O       9.11734252       3.92006309       0.87496448      -3.41949609      -2.45538384      -0.80878877 
O       3.72068313       9.22146279       6.58681233      -1.04488642      -1.48052814      -2.10776178 
O       9.12837515       9.01531381       9.07445067       2.46455844       2.67907856      -4.32945126 
O       1.05447509       7.17126933       0.71284053      -3.91777478      -2.37482373       3.95723528 
O       0.98427567       8.91953228       4.41905948       0.17712295       0.84750328      -1.22264059 
O       4.02563335       5.60687637       3.23781651      -1.13042556       2.40046084       0.63199768 
O       3.68071700       9.31389639       1.00338758      -0.38969983      -0.27868361       1.45795759 
O       3.54773336       8.36790692       3.55031223       0.44544317       0.79254566       1.16930432 
O       1.36340362       3.54097157       8.79282177      -0.79031579       1.52068275       0.32299918 
O       6.20666770       3.75074781       1.09718420       0.89186225       1.43459163      -1.13486433 
O       5.87761676       1.53322190       6.31368355       3.53910870      -0.10726968      -0.08715590 
O       7.39880734       3.25106181       8.57495075       0.54065304      -0.00533352      -0.19236001 
O       3.41471183       3.59917285       6.86868091       0.20984869       2.20725204      -0.82994512 
O       1.02951268       3.78243685       6.27939000      -0.41415473       1.49605810      -0.09404453 
O       9.62457078       4.62716888       8.26397389       0.42769377      -1.63022355      -0.28695776 
O       9.02128499       3.65920122       5.75475090      -1.83540798       0.14758298       2.31427105 
O       6.16003450       4.22683076       6.16106710       2.35995477      -1.05759998      -0.40346220 
O       7.10131806       0.51779222       9.18643325      -1.42965777       1.96318794       0.86784932 
O       6.84824419       1.09129696       1.13630403      -1.39458023      -0.78138993      -1.23731250 
O       9.58615983       1.80073169       9.38202675       2.66832424      -1.38122886      -0.65111151 
O       6.14088178       9.13375226       2.09347015      -0.63751595       0.22076941      -0.37619243 
O       8.89950343       9.06155799       6.23528910      -0.97503740      -0.07893869       0.41226096 
O       1.07723175       6.87887091       8.74732289      -2.12566230      -1.10858876      -0.82635125 
O       8.39563345       6.62919741       8.54064150       0.71643140       0.54579976       0.95662980 
O       8.77249463       6.39090893       0.96793574       1.82563536       0.30917378       0.57756473 
O       8.86986755       6.49755156       5.93131506       1.93270422      -1.54751658       2.32485014 
O       5.98149568       9.43063974       7.29511587       2.53657041       3.32823011      -2.03568261 
O       5.75762240       5.80419396       8.69418421      -0.04661172      -1.52330287       1.20731697 
O       3.85079568       6.37709397       5.89182306       1.65313097      -1.27131268      -0.15263484 
O       6.05387123       6.84856205       0.74888005      -0.91282945      -2.33494703       1.24256863 
O       8.76665878       6.25370511       3.70797873       1.64394359       0.34371523      -1.23331809 
O       9.12533932       1.24691062       1.81650101       3.05774925       0.53301358      -1.18510528 
O       8.37738291       8.48571373       3.27448715       0.28243659       2.22132893       0.88190515 
O       8.81604333       9.15196105       0.97065454       2.93243180       2.80179703       3.22422914 
O       6.73810240       3.70396463       3.46938590      -0.49132389      -0.04042154       1.93057456 
O       6.42433337       6.19048183       3.27001536       0.13366296       0.59269408       4.09358144 
O       6.55519802       9.64971269       4.77532725       4.80769321      -5.04848348      -2.25683350 
O       9.04355947       1.17334444       6.61194273       0.73829643       1.18972327       1.59326868 
O       1.32918982       6.30880452       6.40533627      -1.85079669       0.74783558      -2.40969048 
O       9.37232008       4.05172862       3.40856556       1.97681486      -2.55295554      -0.37711399 
O       3.57031032       7.20321081       8.49545044       0.15546344      -0.26043549      -0.22078683 
O       4.20467528      10.31070921       9.26520491       0.16241840       1.57928404      -3.45513414 
O       4.55214004       2.94884243       9.57542360      -1.09021433       1.06278188      -0.28090939 
O       6.48865591       6.78795072       6.52666193      -0.85383612      -0.93396089      -1.45474066 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0391594008335189 0.00511769568570152 0.010437792171533353 0.00511769568570152 -0.03413081016791729 0.001499066631493316 0.010437792171533353 0.001499066631493316 -0.05245736203417705" pbc="T T T" energy=-925.25807 free_energy=-925.25811001 config_type=crystal 
Hf      10.10032352       0.19597520      10.11928074       0.59277323      -2.68720764       3.90100666 
Hf       5.10126429       2.62944896       2.83955071       4.92327660      -2.69534357      -2.17490094 
Hf       9.89102757       2.46566727       7.71869094       3.39800384      -0.43483750       1.88483839 
Hf       0.03005202      10.20632478       5.37296559      -2.30029368       6.44344945      -4.08027089 
Hf       7.93858758       5.20087290       7.57087355      -2.38603890      -3.15882298       4.04490008 
Hf       7.59382415       8.01508912       5.08884175       0.03523419      -0.18981399      -1.99113687 
Hf       7.30323911       1.98234684      10.24572060      -4.52131821       4.31158545       3.13875225 
Hf       7.55952380       0.23923336       2.75439833       0.73079005      -2.18424625      -2.82003565 
Hf       2.88891632       2.86671039       5.37154323      -0.93165580      -2.13928244       1.77721657 
Hf       5.27490860       2.90261888       7.41276287      -2.27208971      -0.73210470       2.98953175 
Hf       4.80074034       9.97800211       4.78911155       0.60277265       2.56918864       1.13160173 
Hf       2.29053781       2.65916962      10.00323455      -0.60230095      -0.37646024      -0.23392371 
Hf       2.44722646       9.95943581       2.87269622      -4.17884997       3.66726254      -2.28521811 
Hf      10.29104835       1.94765746       2.44579259       2.45022282      -0.83511315      -2.73982487 
Hf       2.61345064       0.28884839       7.80143651      -3.23459831       2.68634585      -0.52990376 
Hf       7.61027450       0.04266892       7.71880042       1.36761453      -4.41344800      -0.57224562 
Hf       2.44309869       5.21069061       7.91963926      -2.01489528       1.07262354      -4.62834000 
Hf       5.19400047       5.52155036       5.24531918      -1.09618227      -2.88931341       1.26262460 
Hf       0.00731954       4.65706306       4.72585813      -1.60959155       0.68287793      -0.45009611 
Hf       2.27151581       7.67256137       5.16315805       1.66182929      -1.86922931       1.16509782 
Hf       5.12576567       5.48349619       0.27431711       0.72863261      -2.13559949      -3.37563851 
Hf       4.86425217       7.96230619       2.18935478       2.89243833      -1.41426101      -3.25580266 
Hf       5.36152111       7.49849193       7.86175793      -1.39522699       1.37517435       4.09735302 
Hf       8.09456641       7.95456371      10.45384120      -2.28924463      -1.73203958       0.67528071 
Hf       7.91741728       5.51271803       2.67710858      -1.51466079      -1.57034475      -1.67882202 
Hf       2.75207180       4.75631854       2.54071223       0.30786240       2.60646904      -2.41459606 
Hf       0.30524002       7.26394481       2.69422637      -3.49049584       3.79469016      -4.91328130 
Hf      10.02685226       4.89218593       0.37669937       0.23493859      -2.08267136      -2.26497849 
Hf       7.59803502       2.31755484       5.36824083       1.18938359      -1.43707297      -3.31522939 
Hf      10.34744024       7.66781778       7.62208132      -1.21235162       0.84560277       2.54175640 
Hf       4.73783251       9.96171744      10.13727486       0.35697711       1.67743852       0.18403742 
Hf       2.20607579       8.00971828      10.30219506       1.72360759      -1.75745640       0.12684956 
O       1.94746258       7.94424781       1.77961435      -2.07342565       1.02421431       1.79666529 
O       1.30876827       5.62559318       0.97411142      -2.25257725       0.66091726       0.64181328 
O       4.40736946       1.45024429       5.77929204      -1.20003221       0.55248726       1.10912300 
O       1.01683361       1.00043674       3.72728751       1.65318838      -1.12022860       2.25584823 
O       3.36225995       3.93660910       0.69875324      -0.81743489      -2.35706788       0.23303317 
O       0.75417114       1.38412962       9.24347289       0.98428537       1.71623057      -4.09210415 
O       4.19193781       3.69187429       4.13899223      -1.07603290       0.15703955      -0.30696320 
O       5.36779487       4.30588186       1.76268266       2.10202734      -1.63625900       2.11660743 
O       3.97088696       0.97222468       3.46885265      -2.32552287      -1.64966149      -1.51712855 
O       1.38342399       3.47737852       2.52460548       1.17997553      -1.13482297       2.58340256 
O       0.61865122       0.17245712       1.50474473       2.10310787       0.09902429      -0.42656380 
O       3.71732128       6.27074628       1.11631003      -1.55105962       3.51004603       4.03797359 
O       3.01897267       0.72980582       9.89489871       2.12472561       4.26404586       1.95695754 
O       8.87092254       1.27602822       3.81712895      -0.11946483      -1.43607817       0.52368438 
O       0.81822397       9.27512530       6.66153462       1.50340828      -3.76913551       3.61343089 
O       6.43280356       0.81066821       4.10658731      -2.03880589      -0.02123379       4.55194952 
O       7.12297985       8.75526035       8.81931423      -1.46009694       0.81560398      -2.81244834 
O       0.76525756       1.56313011       6.44118364       3.29531007      -0.32064815      -0.85338007 
O       3.83463692       5.15108257       8.97459559       3.85099938      -0.31955884       2.76795372 
O       1.98140478       9.54196756       9.21201390      -3.27881109      -2.74117756       0.05238643 
O       0.42072512       2.98550302       0.48125304      -0.89020193       0.84575196       0.58441895 
O       2.72675092       9.70561549       5.59652320       2.98551835      -0.23941121      -0.39541889 
O       9.72344623       9.53462625       8.56753461      -1.15650655      -1.91325707      -1.38494646 
O       1.65274548       6.92124761       8.74445369      -2.34016981      -0.57432268      -1.17199538 
O       1.05985671       8.84934406       3.89309933      -2.18355510      -1.28224192       1.35055556 
O       3.80155022       5.92981463       4.11296918      -2.02619111       3.37356967      -3.88129373 
O       3.61761880       9.38344670       1.31250732       1.76141783       0.84394757      -1.23256612 
O       3.72466426       8.59989516       3.61927245      -1.24637220      -0.25381294       3.24787237 
O       1.25255965       3.85709602       8.68157851      -1.88937731       0.79310362      -0.57936903 
O       8.48459552       3.98673467       1.44117994      -0.14614895       0.99229492      -1.48511260 
O       6.43332614       1.38289744       6.97136355       2.12520442      -0.13440041      -1.89149130 
O       6.37458239       3.43744829       9.00880823      -0.59744176       0.80863850      -0.20041419 
O       3.91906974       4.20584341       6.45936071       2.29061029      -0.72112273       0.15451991 
O       1.83978537       4.63018754       5.23054122       0.79450969      -3.61837209       1.77028818 
O       8.82319007       3.71688055       8.88225722       0.61629699       1.41656032       0.24075497 
O       9.31348047       3.74254409       6.22754170      -0.20041020       1.33449772       0.14710646 
O       6.78317708       3.92127759       6.20984137      -1.62797461       0.69575871       0.89306399 
O       5.69803655       1.16521932       9.38775124       1.56448798      -1.42219390       0.09410742 
O       5.97626708       1.07897825       1.57537316       1.08730770       1.51906874      -0.98863634 
O       8.46983504       1.12193289       9.08426859       1.99162889      -0.08630992      -2.43790233 
O       6.30084937       9.05022885       0.64296012      -0.21094995       0.48658161       1.13028127 
O       8.67258669       9.36470906       6.17624916      -1.06736757      -1.77769485      -0.51299093 
O       0.87967877       6.67321845       6.25975907      -0.32209040       0.11688636      -0.79941255 
O       9.18747872       6.65516562       9.23877294       0.66681859      -1.21267454      -1.48689035 
O       9.08821100       6.56351206       1.38598831       1.10711915      -0.88660005       1.05142646 
O       8.56978935       6.56492458       6.56006638       3.67543761       3.89842241      -1.75925147 
O       5.76205086       8.65480346       6.15564445       1.02634290       1.01500518      -0.65468831 
O       6.29689650       6.16527074       9.26903795       2.00134822       1.34875054      -2.08527220 
O       3.54636344       6.43333074       6.35578091       1.04409394       4.09900723       2.11511162 
O       6.53920358       6.86629002       1.56954306       0.40062124      -2.22243022      -0.69630681 
O       9.29465219       6.28468621       4.03902631      -0.29661232      -0.08604728      -0.35896519 
O       8.79645082       1.16005979       0.98511789      -1.39670424      -0.12848490       1.79043471 
O       8.45090305       9.02121707       3.50393388       1.73991146      -1.29623945       1.24048859 
O       9.66554669       8.80456233       0.59117650       0.17664434       0.31862511       0.33336894 
O       6.93933813       3.05982717       3.63449879      -1.10138021       1.66162595      -0.11187754 
O       6.61590209       6.10880601       4.01250444       0.18889968       1.25047798       1.78806450 
O       6.16911487       8.79288791       3.50612048      -1.43416859       0.72801043       1.16538075 
O       9.02384670       1.17464486       6.46814949      -2.75787983      -0.40280943       0.43529103 
O       1.30405702       6.08644759       3.60393298       2.14462222      -1.46461808       1.60618520 
O       9.65216639       3.40368569       3.49298592      -0.80668016       4.52027708       3.25939436 
O       4.13471920       7.69140681       9.69008187       0.96550089       1.96733184      -1.12364411 
O       4.16351004       9.91775427       8.23738430       4.42305389      -2.96369642      -2.40275506 
O       3.12733845       2.50609464       7.82978484       0.60780215      -1.90671359       0.69880097 
O       6.33183152       6.30803002       6.75378998      -0.41378144      -0.90369936      -0.80018744 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.037305587969543294 -0.00011502867262410624 0.008424437908262855 -0.00011502867262410624 -0.034363903601657156 0.0013591451602337598 0.008424437908262855 0.0013591451602337598 -0.04860495618211932" pbc="T T T" energy=-925.37274034 free_energy=-925.37280441 config_type=crystal 
Hf      10.09390481       0.19312347      10.11716636       0.23928145      -3.95618342       4.61790233 
Hf       5.11865085       2.61834108       2.84279743       3.65025544      -2.38778388      -1.33863409 
Hf       9.92112836       2.46516803       7.73239392       2.35596377      -0.55828454       1.02285022 
Hf       0.03772448      10.20680329       5.35686219      -1.39313732       5.03998956      -2.37730139 
Hf       7.95592966       5.19620978       7.56210874      -2.36566534      -2.58888975       3.64817277 
Hf       7.59507737       8.00576039       5.08022084      -0.21409562       0.18450732      -1.77665169 
Hf       7.30773350       1.97537123      10.23240205      -4.42135048       3.82106064       3.39169523 
Hf       7.53098498       0.21776237       2.75123482       0.92293631      -2.31698318      -3.14568393 
Hf       2.89670673       2.87338427       5.38548337      -1.93081404      -3.10963046       1.91704802 
Hf       5.27236552       2.89071682       7.42158943      -1.48457020      -1.45089506       2.43183720 
Hf       4.79438034       9.96660892       4.79419027       0.92904722       2.44469784       1.63474963 
Hf       2.28933054       2.66061145       9.99512513      -0.10806218      -0.02195984       0.55811097 
Hf       2.45370168       9.97713446       2.87389837      -4.54746046       3.03953935      -2.04705658 
Hf      10.27686048       1.96487760       2.43053779       2.72669862      -2.53803745      -2.74400695 
Hf       2.62190388       0.30834608       7.81060804      -1.70258296       2.06917631      -1.13500007 
Hf       7.62638785       0.05442738       7.72331166       1.89140475      -5.01171515       0.09701501 
Hf       2.44171370       5.20868591       7.92051183      -0.42792656       1.39858713      -3.72784134 
Hf       5.19072926       5.53057756       5.24598044       0.12386946      -2.98842212       2.01634749 
Hf       0.00187355       4.66957928       4.72251648      -1.35112908       1.21524721      -0.33682239 
Hf       2.26786133       7.68660712       5.16874302       1.34644057      -1.51367835       0.92961666 
Hf       5.11959961       5.47496603       0.26463117      -0.10542144      -1.00658976      -3.37521032 
Hf       4.87473365       7.96245868       2.17422233       2.38992792      -0.52949837      -2.20521932 
Hf       5.35398566       7.49017769       7.87545881      -0.35504247       1.17619725       3.07084861 
Hf       8.07719084       7.93485617       0.00551066      -1.65760934      -1.14310881       0.19635943 
Hf       7.90248809       5.51128542       2.66685935      -1.67804790      -0.75865572      -1.07363261 
Hf       2.74292832       4.75235823       2.53173788       1.17796254       4.00974199      -1.84500287 
Hf       0.29125101       7.27490093       2.69536624      -3.26167158       4.03423695      -5.04472669 
Hf      10.02440087       4.89093344       0.38573086       0.67859530      -1.60558223      -2.66429219 
Hf       7.59904532       2.32161929       5.35351248       1.18962017      -2.69049862      -2.58848603 
Hf      10.34985374       7.66161823       7.62809666      -1.36838318       0.83571017       2.19732336 
Hf       4.72967787       9.97258533      10.13326934       0.29696908       1.40523276       1.06262312 
Hf       2.19428875       8.00130126      10.28667264       1.62872987      -0.16688534       0.76644124 
O       1.93214582       7.95135164       1.77391216      -1.60629099       1.22944690       1.19168042 
O       1.32054243       5.63917611       0.96519924      -2.30155287       0.55011089       0.59816289 
O       4.42807506       1.45244858       5.75368806      -1.41686083       0.87302339       1.43640093 
O       1.02245344       0.97846337       3.75358771       0.92128382      -0.41274808       1.99766250 
O       3.36425920       3.96309173       0.72136891      -0.48126837      -2.43246451      -0.02936104 
O       0.77645148       1.37251884       9.31680673       0.94971676       2.36838565      -4.81040478 
O       4.16831497       3.66609541       4.21498093       0.71523849      -0.30183638      -2.92171348 
O       5.41058467       4.32940161       1.73706998       2.20143496      -2.31773766       2.87719308 
O       3.90260421       0.91622653       3.48292163      -1.29398692      -0.51838104      -1.71393218 
O       1.42425389       3.51808963       2.52827629      -0.36341068      -2.74760533       2.42628180 
O       0.57420064       0.10629023       1.55057580       1.94907663       0.81327575      -0.60445288 
O       3.69825605       6.31956493       1.15891343       0.36322100       2.66322063       2.96493400 
O       2.95259728       0.76093733       9.98693282       3.43731232       4.11633726       1.61018674 
O       8.84131052       1.20855210       3.80129820       0.91970868      -0.08567359       0.66532007 
O       0.89533579       9.23324742       6.67657078      -0.10331830      -2.31178708       1.81940584 
O       6.42766434       0.78331563       4.12191129      -2.29540768       0.58219296       4.60558761 
O       7.13212856       8.75143297       8.78394674      -1.45245215       0.51346591      -2.26106959 
O       0.81297245       1.60461143       6.50238631       2.64057077      -0.63962593      -0.94302000 
O       3.89304407       5.11225181       8.98490636       2.14361738      -0.03432920       1.32827902 
O       2.03619670       9.62723715       9.19064234      -3.94654148      -5.32289636       1.15953223 
O       0.45549122       3.01837955       0.47770960      -1.18418245       0.53094342       0.94488060 
O       2.75113309       9.68630493       5.56638777       2.76879630       0.30273217      -0.04485536 
O       9.69280559       9.48021174       8.58533437      -0.54934832      -1.26045432      -1.40196177 
O       1.64316891       6.92742790       8.75411546      -1.99366426      -0.94520212      -1.41651431 
O       1.01621464       8.85219484       3.88601528      -1.83141670      -1.07433210       1.56115447 
O       3.80355241       5.87142454       4.16259875      -2.97418233       3.67425761      -5.17763295 
O       3.64698455       9.44527002       1.33151771       1.67459849       0.09401665      -0.78785686 
O       3.71825194       8.60853061       3.63914526      -0.79086276      -1.13524945       1.91926747 
O       1.26956879       3.86945012       8.69668637      -2.07700792       0.85452904      -1.07455594 
O       8.51273401       3.99154755       1.41618791      -0.56711357       0.89391763      -0.88177872 
O       6.39197125       1.25891839       6.95463835       1.13515697       1.92006859      -1.66522470 
O       6.43411770       3.41341319       9.05085870      -1.20926392       0.80735834      -0.97618200 
O       3.90262786       4.19472370       6.43450222       2.49903703      -0.14727519       1.58835578 
O       1.83103511       4.62148301       5.19560327       0.63764194      -3.69424873       2.00363081 
O       8.84874571       3.71669331       8.88311723       0.86707649       1.53375384       0.12546237 
O       9.24827950       3.80008380       6.19722478       0.46860092       0.47887871       0.72865932 
O       6.78035268       3.89237172       6.18465582      -2.24365632       0.90870610       1.65884403 
O       5.69919662       1.12720409       9.39851457       1.95086060      -0.51743099       0.05625191 
O       5.98055016       1.06955751       1.63016497       0.35201812       2.01605225      -1.34866514 
O       8.54814263       1.14662977       9.12334980       1.13001579      -0.14363968      -3.55811411 
O       6.33527595       9.07579819       0.60834474      -0.30169969       0.11158921       1.60929722 
O       8.63333498       9.44275604       6.19330310      -0.58963745      -2.83784050      -1.30510268 
O       0.91934379       6.66325798       6.25921033      -0.97303112      -0.15505181      -0.15117962 
O       9.19318981       6.67759510       9.24521886       0.74607329      -1.59830343      -1.63470724 
O       9.11537079       6.55067035       1.38185814       0.69009503      -1.06679781       1.35458325 
O       8.56327738       6.58657412       6.55774016       4.05008276       3.72643294      -1.48446285 
O       5.75990854       8.60529352       6.17791548       0.76619002       1.17359521      -0.77521759 
O       6.34942071       6.15096156       9.21608578       1.11607332       1.00311976      -0.88900069 
O       3.52507278       6.46249324       6.32772501       1.30974444       3.45938833       2.85616434 
O       6.59945100       6.81949281       1.56314131      -0.22994085      -1.34017734      -0.72053450 
O       9.30464009       6.33945196       4.03304938      -0.79473043      -0.68998757      -0.38362145 
O       8.75372559       1.13640084       1.01492583      -0.80476007       0.04705993       1.55016907 
O       8.41465211       9.02797949       3.42963653       2.08568373      -2.12240382       1.67218240 
O       9.70296880       8.76973197       0.54666941      -0.19180437       0.05887271       0.35689422 
O       6.91185294       3.05113802       3.67585346      -1.00168254       2.18131066      -1.08748592 
O       6.62055620       6.24318145       4.07500178       0.93292229       0.35767288       0.51113671 
O       6.15432571       8.81500205       3.59717935      -1.77568477       0.15171010      -0.10781748 
O       8.98811258       1.15353024       6.42423928      -1.18998987       1.27960672       1.34110018 
O       1.28652979       6.11571056       3.63585290       2.35856701      -1.52098895       1.36403317 
O       9.70123413       3.40640816       3.45632408      -1.45200717       4.78103419       3.88164814 
O       4.15627130       7.79475154       9.74982870       0.84944589       0.82939616      -1.12719426 
O       4.20562875       9.88599103       8.27222963       2.69091917      -1.78351859      -3.40557989 
O       3.12006214       2.48649930       7.82125562       0.92477207      -1.68195842       0.92310065 
O       6.37166159       6.29648246       6.73342349      -1.34632171      -0.46016483       0.02134680 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025035942079825912 -0.011894273098607931 -0.004018794505180686 -0.011894273098607931 -0.033597756970839956 -0.006759948715636633 -0.004018794505180686 -0.006759948715636633 -0.02458479837281121" pbc="T T T" energy=-924.04040161 free_energy=-924.0407535 config_type=crystal 
Hf      10.06586356       0.10983429      10.16030343       1.92804366      -4.54930759       2.35336049 
Hf       5.26002964       2.52156170       2.85682109      -1.09457709       1.33105704       0.00773402 
Hf      10.14534158       2.45914474       7.83204062       0.88485455       2.68193019      -1.80970584 
Hf       0.07952773      10.25088295       5.23487297      -2.67502774       0.74140903       2.72795600 
Hf       8.05249239       5.16248560       7.53283750      -0.79716905       3.08132114       2.04459582 
Hf       7.61821730       7.96927982       5.02102977       2.47342173       2.22488872       1.69201788 
Hf       7.30068337       1.96181519      10.18469889       1.80841089       4.02659294       4.39245254 
Hf       7.34243021       0.04011600       2.71238627       0.96405862      -1.99462151       2.16985883 
Hf       2.91716616       2.86230266       5.50377153       1.74064547      -4.11577512      -1.08456229 
Hf       5.24647884       2.78276780       7.49776401       1.46916430      -2.28419739       0.26474935 
Hf       4.76315757       9.92233239       4.86550529       1.94135677       2.74857028       3.69959393 
Hf       2.28362866       2.69092878       9.95559953       0.39418611       2.05602230       2.42395080 
Hf       2.42572773      10.10007673       2.85464956      -3.86267835      -2.52535105      -1.66457129 
Hf      10.21102818       2.04703089       2.30904122       1.71217752      -0.28195477       2.44265275 
Hf       2.67341517       0.44451103       7.84590865      -0.84696473      -5.01895828      -3.17336589 
Hf       7.75419396       0.06761061       7.75328424      -1.20320502      -4.45032528      -2.97434633 
Hf       2.44288738       5.21938509       7.88514224       1.18520228       3.03665722      -3.82880844 
Hf       5.16461955       5.56398755       5.26762150      -2.37059601      -1.08420857      -0.79035737 
Hf      10.42735669       4.79513202       4.71413253       1.31698523       5.14270364       3.26748914 
Hf       2.25297337       7.76583541       5.21518542       0.40221364      -2.11115073       1.69833537 
Hf       5.07651508       5.40758338       0.17968477       2.42725218      -1.65235382       2.77720205 
Hf       4.96391551       7.97731200       2.06588177       3.66758200       5.72364501       3.40913789 
Hf       5.31527704       7.45705331       7.98166813       2.52487051       2.89099291      -2.61125358 
Hf       7.95527322       7.79147907       0.11432973       1.77581688      -0.46912125      -3.25309991 
Hf       7.79190777       5.49036045       2.59617137       0.12970516      -3.07292454       2.12401714 
Hf       2.69997671       4.79135048       2.46072597      -2.04863299       1.24691281       1.91799256 
Hf       0.16719043       7.38766879       2.65263829      -0.57431773       0.73007455      -1.08966377 
Hf      10.02118994       4.87495857       0.39821473      -0.53381796       0.69578671      -5.16799378 
Hf       7.61274107       2.30909313       5.23193239      -1.97848220      -1.04546910      -0.84549658 
Hf      10.34421832       7.62266711       7.68350891      -0.48800789      -0.37229803      -0.16584133 
Hf       4.67952018      10.06911080      10.12571013       1.28639093       2.29717391       0.39285963 
Hf       2.13124298       7.94894305      10.20823120       0.55608584      -2.70626774       4.25193567 
O       1.72594326       8.20752099       1.72320478       0.74893074       1.06007917      -0.94477092 
O       1.19832548       5.79165325       1.00561395       1.40446003      -0.01269989       1.17193087 
O       4.33173798       1.60726942       5.81989629      -0.02617477      -1.33351561       2.00330743 
O       1.05307942       0.88949136       4.12638664       0.92028177       1.57970195      -1.58147766 
O       3.43458756       3.89592730       0.82611088       1.00945998       0.59538879      -0.59746801 
O       0.88108658       1.47695927       9.18030383      -0.09127870      -2.08491897      -0.22231617 
O       4.26556407       3.51720325       4.09278773      -3.44345750       2.46302032       1.67763940 
O       5.91022892       4.26073162       1.80927336      -1.62021933       1.14057593      -2.58455700 
O       3.64177855       0.82789296       3.46629617       3.27458193       2.88279983       0.54384329 
O       1.48111247       3.23124165       2.83787161       1.52340339       0.35093367       0.01105911 
O       0.47035720      10.43250438       1.72729675       0.38529909       3.64968085      -1.55656319 
O       3.81636701       6.73251785       1.57645526      -2.25056695      -6.58747005      -3.71743546 
O       3.08118732       1.17657818       0.27904752       1.43749870      -1.07492437      -1.75940024 
O       8.88247220       0.94002437       3.79296292       0.01513414       1.35674871      -0.08905668 
O       1.25936938       8.91056652       6.79085833      -1.68930644       2.03687871      -0.92713754 
O       6.29436200       0.79528457       4.53426502       2.19950825       2.00015315      -4.08417020 
O       7.00699164       8.72828665       8.42716550      -0.35361368       0.00787988       1.92883645 
O       1.33674715       1.74551087       6.77214697      -0.86283544      -1.26191833      -1.61858870 
O       4.26194423       4.88795194       8.99327409      -2.74235934       0.84399806      -0.99629729 
O       1.95488395       9.52148039       9.31047656      -0.50598412       3.13034938      -0.77921369 
O       0.51593102       3.16900481       0.62059511      -0.04874257      -2.48060966      -0.21212525 
O       3.03599113       9.68550249       5.51810289      -4.05826675       0.47055047       2.14750278 
O       9.49931193       9.19583473       8.59027358       0.14764199       4.26257593       0.35310603 
O       1.46937441       6.79954193       8.70596570       2.04706644      -0.50773823       1.90927513 
O       0.57130716       8.80256213       4.09260897       1.33526332      -0.98642187       0.01530514 
O       3.59907907       5.90288489       3.93497282       2.43294460       0.00270102       1.28581202 
O       4.01110438       9.73332737       1.50159262      -0.04448445      -1.75328890       0.83643514 
O       3.62392028       8.42752930       3.70665026      -0.57659734       0.86165639      -1.52251911 
O       1.14059967       4.05534929       8.59461350       0.44680492      -1.28747098      -0.10774128 
O       8.50357839       4.03697860       1.27285717      -0.93290812      -1.11243699       0.33832391 
O       6.22968623       0.85749263       6.75616236       2.59107847       2.45497940       2.73927541 
O       6.60080480       3.39819596       9.12181253      -1.23557411       0.44088800      -1.03796332 
O       4.08831730       4.22295670       6.64224844      -2.15406939       0.29184742      -0.51244615 
O       1.74440448       4.19381639       5.25952370      -3.86908536       3.43814034       1.20837804 
O       9.15205294       3.91437973       8.86714654      -0.09444269       0.09441338      -0.49353599 
O       8.96893452       4.13929575       6.09683142       1.46992357      -1.33972049      -0.41545117 
O       6.43417421       3.77563612       6.29767257       1.42801966      -0.77870051      -0.37337715 
O       6.02670757       0.94828880       9.42285529      -1.19714493      -1.90206975      -1.84390024 
O       5.98664861       1.26296242       1.71659788       2.23430799      -2.78491043      -4.12404279 
O       8.95593508       1.38132751       8.95325971      -3.46858865      -1.65935051       2.15605504 
O       6.54071385       9.21511315       0.63850644      -0.03975293      -0.38666552       1.23486012 
O       8.41160634       9.52690136       6.06787124       1.18027825       0.45688196      -0.38665870 
O       1.00846285       6.46639138       6.32913616       0.42360710      -1.55583589       0.28284620 
O       9.28706336       6.56249485       9.14071763      -0.61246762      -1.42320517       0.82320421 
O       9.27649585       6.37717351       1.51839966      -1.59149951       0.72607472      -0.63678044 
O       8.93718667       6.99071670       6.52056191      -2.06626409      -1.81406104      -0.25751038 
O       5.78523475       8.41834385       6.24184774       0.03345349       0.83891418      -1.55615161 
O       6.70168160       6.14415791       8.99701345      -1.87904367       0.68461097       3.52483331 
O       3.65954744       6.91086420       6.57316587       0.72619144      -1.17036662       0.88414694 
O       6.80111709       6.53911493       1.34897805      -2.86523189       2.59800268      -1.77859034 
O       9.19408760       6.49941234       3.95445345      -0.79999053      -1.98396341       0.57893400 
O       8.49262582       1.01499177       1.26621856       1.94941175       0.37013750      -2.66033876 
O       8.40819090       8.76115502       3.10499008      -0.37100110       0.27275939      -0.14847642 
O       9.86163021       8.54099683       0.32439956      -0.96033919       0.88247742       1.33528690 
O       6.72451968       3.33164108       3.73563922       3.73556740       0.92576940       1.43769586 
O       6.54375501       6.67485505       4.23314732      -2.33209480      -6.06848761      -3.66393573 
O       5.96804263       8.89836010       3.86225628       2.75122297      -0.47173697      -5.05400593 
O       8.89504043       1.37759065       6.41411867       2.83407389       0.98844452       2.04141455 
O       1.34285543       6.22027062       3.85308768      -1.79002640       0.38309520      -2.24737982 
O       9.70718333       3.71719150       3.47458645      -3.07698433      -2.77918234      -2.25540477 
O       4.31523467       8.19490764      10.02650426      -0.92286235      -4.94515383      -0.83816838 
O       4.52008248       9.63731872       8.01992231      -3.32024474       2.13419185       1.47891015 
O       3.25460273       2.25902764       7.98701186       1.24205561       1.88136529       3.45847147 
O       6.40617106       6.15962601       6.69111419      -0.11250303      -0.09698606       0.61634961 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003398628003497578 -0.004441938502664238 -0.0012422251355822557 -0.004441938502664238 -0.00470085262275224 -0.005770715725076195 -0.0012422251355822557 -0.005770715725076195 -0.0167552327574196" pbc="T T T" energy=-926.63881279 free_energy=-926.63893147 config_type=crystal 
Hf      10.41145173      10.38129714      10.25165044      -1.29066140      -4.99284294       2.13609972 
Hf       4.86539225       2.37036666       2.30369738      -0.75934421       0.66303864      -1.90517079 
Hf      10.08235044       2.58375605       7.89518624      -0.55087475       4.27132921       0.77157261 
Hf      10.45719635      10.40678255       5.25757186      -2.09387748      -1.53069872      -2.07145292 
Hf       7.62204804       4.95471447       7.57679313       0.44212395       2.02337481       1.15398068 
Hf       7.87781088       7.99035958       5.35885056       1.26473436      -0.23029349      -1.43714862 
Hf       7.94617202       2.52500916      10.45056831      -2.72558217       3.11071279      -0.26773355 
Hf       7.66442254      10.27441536       2.88595585      -1.58030047      -0.28063698       1.56993365 
Hf       2.38805893       2.70301588       5.36062060       1.61638732       1.40516000      -1.47040351 
Hf       5.17849553       2.84951348       7.68093548      -1.84746665      -0.89673769      -3.10172392 
Hf       4.78794331       0.38150942       5.27311490      -1.76019888       0.28357608      -2.41216515 
Hf       2.34249130       2.33662886      10.07872809       1.13703695       1.42973000       0.02452739 
Hf       2.47439880       0.16841372       2.19698987      -0.71048876      -2.29693661       2.28697900 
Hf      10.15348962       2.15967986       2.56735614      -1.19049553       1.08560192       3.20335566 
Hf       2.70230439      10.11533959       7.49749031      -0.90503089       0.96444159       1.36281593 
Hf       7.68276089       0.07884031       7.87568844      -0.43674408      -0.50289016      -0.76990140 
Hf       2.27371675       5.03533456       8.24122759      -0.89314860       0.11081675      -5.18484407 
Hf       5.41419132       5.18502801       4.75854962      -1.76344357      -0.18894590      -0.97375738 
Hf      10.28287069       5.22528259       5.26233513       2.39672471      -0.89730072      -3.24072614 
Hf       2.36449879       7.49576182       5.55117462       0.01678209      -1.07839155      -4.21794383 
Hf       5.17619077       4.89559331      10.19406645       2.96023439       0.91421914       0.84372195 
Hf       4.76409011       7.96857691       2.42970823      -0.16376678      -0.66682260       5.21182301 
Hf       5.16947869       7.76744690       6.91645116      -0.76549848       0.85727093       6.09462485 
Hf       7.70473552       7.87759120      10.46127168       0.60563344      -1.65417419      -1.40602439 
Hf       7.57846919       4.80009457       2.36661369       0.96001018       2.52928947      -1.52679737 
Hf       2.53545380       5.28353808       2.42477625       1.81139871       1.46999905       2.05142898 
Hf       0.13720968       7.77089226       2.67112045      -2.44042134      -0.01838703      -0.80976102 
Hf       0.16921982       5.26475942       0.26481349      -3.47012122       0.79874525       1.39102560 
Hf       7.58003305       2.59407467       5.00716802      -1.24208031      -0.16481613      -0.70519476 
Hf      10.42494276       7.38786608       8.01201404      -3.01613297       1.31330918       1.09721938 
Hf       5.22774560      10.12126754      10.45980578      -0.06537592      -0.80612178      -0.95513517 
Hf       2.55888511       7.87324772      10.13085050       0.72911809      -0.27941085      -0.22389556 
O       0.72951319       9.51800278       1.65007880       2.42791628       1.33381283      -0.79255260 
O       1.32170083       6.92117718       1.27912653      -0.03165152      -1.91370014       0.93154530 
O       2.53001954       0.72967322       5.64397570      -0.93338381      -0.95646673       2.42124056 
O       0.76244571       0.69821025       3.48593422       0.12697865       2.62508171      -0.51451141 
O       4.16256243       3.22929316       0.36988200      -0.99408894       1.23017684      -0.64706987 
O       1.52530924       0.73659902       9.00338632      -2.44239475      -0.57945024      -0.28466814 
O       3.49089237       3.61297714       3.10092490      -0.26594519       2.93198053       0.35930961 
O       6.38055210       3.51476399       0.94943495       0.99543147       0.35633678       1.30837362 
O       3.71419576       1.34852173       3.55356931      -0.12709255      -0.35580980      -0.58706409 
O       0.86835958       3.60090794       4.32546234      -0.15301435      -1.46788316      -1.77771369 
O       0.61336820       1.66811363       0.93776796       1.04126077      -0.64259063      -1.74312468 
O       3.59625728       6.80726714       3.79665445       1.95424140      -0.24214068      -1.35274890 
O       3.44656330       1.05812518       0.59340078       0.55859609      -2.80743531       1.85463270 
O       8.75341380       1.14772391       4.22700732       2.97677326       0.19195672      -2.14158097 
O       1.19368110       8.66748379       7.06322507       2.73843572       3.75552596      -1.99301385 
O       6.54176298       0.73339793       4.69232045       1.20225855       1.43247798      -2.19402202 
O       5.99409887       8.61279758       9.37066538       0.92605254       0.79568946      -0.50469042 
O       0.05409937       1.46743785       6.51534179       1.42247399      -2.89216779      -2.73655790 
O       4.09224171       4.79391125       8.52404870       0.62515281      -2.05462855       1.07207898 
O       0.70358977       8.34864157       9.76884327       1.16254873       3.66659075      -0.94270633 
O       1.67941514       4.01437119       1.29046530      -2.57252854      -0.28935455      -2.09529797 
O       3.94604658       8.91268037       5.43129602      -1.12954914      -1.53197984       5.18743309 
O       9.09935227       8.99273843       9.31380806      -2.27994339       2.68787809      -5.48189450 
O       1.49033298       6.30969425       9.53636542       0.64655815      -3.21901089      -2.67990426 
O       0.82669343       8.75906890       4.26898505       2.00823506      -1.36006099       2.67646049 
O       3.83703399       5.37646768       5.85665914      -1.82506556       1.08327168       0.97437507 
O       3.38687739       8.63058112       1.28548663       0.16684501       2.09026999      -2.22056782 
O       3.39670473       9.50587937       3.39378529       1.59268649      -1.11660263      -0.80763266 
O       1.03956065       3.77297844       9.22726504      -0.47406647      -0.64124341       0.82527936 
O       8.96640620       3.99320393       0.91041852       1.45576949      -4.06515666       0.16632535 
O       5.05394702       0.94652325       7.13168051       0.04921398      -1.87557346       1.27709045 
O       6.56051339       3.64034426       8.84808989      -0.62983597      -0.05532238       0.98181808 
O       4.64553894       2.66899299       5.47472751      -2.82806130      -0.14565848       1.56293123 
O       1.43273476       3.76084780       6.75882820       0.59483616      -0.43627615       1.07000841 
O       8.92824644       3.91667654       8.81285575      -0.57673023      -0.62117118       0.00929526 
O       9.24059940       3.99386110       6.20953743      -2.37932171      -1.58010839       2.94118586 
O       6.38524044       4.00528297       6.12159142       1.99292262       1.44769128       1.21332346 
O       6.46508383       0.96281944       9.53506248      -0.69782513      -0.60112165       0.24376234 
O       5.78705786       0.37537225       1.85877137       0.18973837       0.61882024       0.08381193 
O       8.78699764       1.41642863       9.12386851       4.80899097      -2.79253613      -1.03814513 
O       6.22848785       8.39336501       1.17840369      -0.14336930       1.65473327       1.99308975 
O       8.87814945       9.55128363       6.42512189       1.21140099       0.86794452       0.14424492 
O       1.07780540       6.19537457       6.52836290       0.11943309       1.12519374       2.04746098 
O       8.60362102       6.88088660       6.98347147       0.47922998      -0.84326793       0.42013521 
O       9.48483435       6.23696212       9.16118658      -0.08387891      -1.38660669       2.95864826 
O       9.03904477       6.43228098       4.49627052       0.21350502       1.88765159      -0.39382464 
O       6.41948741       9.34183749       6.96232410      -0.32949473      -1.45740791      -0.99962231 
O       5.92345945       6.07346919       8.00196168       2.00713243       0.27259618       1.06552197 
O       3.44313552       7.51980310       8.12840342      -1.03180591      -1.81128436      -2.07908256 
O       7.24327260       5.95612969       0.22999768      -2.87410210      -0.90843454       0.43971838 
O       9.21096561       5.95230053       1.76381395       3.00894374       3.06201827       0.89108320 
O       8.48911452       1.11168784       1.41500198       1.09727670       1.02967208       1.02157549 
O       8.89628612       9.19014530       3.87612943       1.56160274      -1.49225985      -0.13625570 
O       9.16251338       8.91154877       0.95116250      -2.14327618      -0.48639963       3.79521890 
O       6.08149593       3.37719951       3.45406579       2.19509525       1.63688325       1.22007298 
O       6.75130960       6.46981770       3.47970306      -1.72440656      -4.44420900      -2.65294076 
O       6.44320529       8.66738739       4.27922969      -2.09211572       3.03288339      -3.10279013 
O       7.88891384       1.92862646       6.78087933      -0.12089536      -2.29416438       3.18614115 
O       1.30229472       6.15700600       3.78573569      -1.61107427       0.73329907       0.87950884 
O       8.65327435       3.76775926       3.78666195       0.82449769       0.06444272      -2.13292485 
O       3.91909831       6.10727826       0.94645784       0.83756483      -0.11056909      -0.00739101 
O       3.42157609       9.49076523       9.19843966       1.47367306       2.65015508       1.04046556 
O       3.34357474       2.25682116       8.22679564      -1.04250049       0.47463219       1.19809886 
O       6.09312911       6.78808542       5.71009016       2.52784378      -2.09389789      -1.73574673 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.002408299334734619 -0.0008535171542555566 0.004082541684283202 -0.0008535171542555566 0.0001698156785387041 0.0046066083565210894 0.004082541684283202 0.0046066083565210894 -0.0037088181183376314" pbc="T T T" energy=-929.08181228 free_energy=-929.08197013 config_type=crystal 
Hf      10.35750255      10.29284718      10.23144805      -4.19309821       0.05081753       2.16349269 
Hf       4.95218541       2.38729145       2.25197740      -0.32210347       2.29446272      -1.21000960 
Hf      10.11025333       2.56050988       7.94417475      -1.59174438       1.95665545      -1.31314630 
Hf      10.45923202      10.34004241       5.29546233      -2.09937496      -2.21862206      -1.92473146 
Hf       7.63568445       4.95105653       7.51939764       0.43705348       2.78937487       3.25887351 
Hf       7.89224932       8.01827995       5.43666435       0.89326578       3.54693772      -2.56256462 
Hf       7.87339613       2.59365393       0.02011352       0.24768831       0.34304054      -3.19785980 
Hf       7.72673453      10.23005228       2.74193623      -1.47580200      -4.10140180       2.14214306 
Hf       2.39433489       2.61538721       5.32176661       0.51786579       0.58715745       1.34952748 
Hf       5.13548196       2.88525022       7.72498824      -2.12913959      -3.25063839      -1.96589552 
Hf       4.74666839       0.42578658       5.14667797       0.67605393      -2.58910355      -0.21373381 
Hf       2.22749037       2.32231655      10.11020267       0.30994769       1.12719758       0.13708210 
Hf       2.38299214       0.18436400       2.27080379       3.55793992      -2.99823995       0.20356016 
Hf      10.19366413       2.19658776       2.64170729      -1.59817263       1.98346445       2.74206350 
Hf       2.78101513      10.15846578       7.52844557      -0.50704791       2.11187487      -0.74972867 
Hf       7.72560868       0.16056773       7.93024707      -4.11450987      -3.18053844       0.76475366 
Hf       2.29085410       4.95112152       8.19146395       1.51694490       1.77702574      -2.35006789 
Hf       5.30641856       5.22062900       4.72121606      -2.42690767       1.80436502      -0.76409411 
Hf      10.34324716       5.20689850       5.24599499      -1.40122072      -0.58693207      -2.18800588 
Hf       2.37534721       7.44543196       5.62954427      -1.52661631      -0.26572380      -3.05368461 
Hf       5.27653201       4.87963623      10.10098739       3.16579231       6.30072117       1.57159309 
Hf       4.80807180       7.92520487       2.54085865       1.27963244       2.12160691       0.62911011 
Hf       5.23650539       7.73163480       6.94228729       0.24042455      -0.23325239       5.15730446 
Hf       7.83628487       7.82432923      10.35321716      -3.78434323       0.43997181       2.37393386 
Hf       7.54396077       4.80835387       2.38508078       0.23891174       3.94024292      -2.50648466 
Hf       2.40928020       5.36331418       2.36374888       1.99655466      -0.02421894       0.92499134 
Hf       0.23872240       7.77450090       2.59207720      -4.47078972       1.83656203       2.01890707 
Hf       0.01156766       5.24327200       0.21532448      -0.64100888      -0.78306802       1.26720576 
Hf       7.60900862       2.53749607       5.08149333       1.37579873       0.78651597       0.30838927 
Hf       0.00824423       7.27488816       8.03686939      -1.60830770       3.46196714      -0.57515953 
Hf       5.11217771      10.21823667      10.44900560       2.51302659      -1.81538909       0.09028293 
Hf       2.54721362       7.91583940      10.05979840       2.38700278      -1.13450850       1.12343987 
O       0.77746576       9.62066009       1.71282095       1.46169544      -1.63418963      -1.47282556 
O       1.32801561       6.71827335       1.40636894       0.91041965       1.66426171      -1.83869760 
O       2.28882805       0.62815265       5.70661925       1.04413788       2.05860163      -0.28994661 
O       0.86848475       0.70221901       3.35984906      -0.84406590       3.16254608       2.86709877 
O       4.31081950       3.41180076       0.25320836      -3.59083981      -3.93980699       1.19723749 
O       1.24169469       0.76025964       9.17941493       1.77181120       0.60919378      -1.22724579 
O       3.60627720       3.98663618       2.97125308       1.13152539      -1.93190327       0.57134429 
O       6.52672023       3.75170652       0.95908133      -0.08336282      -2.20552198       1.90642436 
O       3.92198583       1.42305719       3.60764325      -1.86630587       1.37117179      -1.24587674 
O       0.88420478       3.56902140       4.23288724      -0.24374265      -0.81419009      -0.57564382 
O       0.37463826       1.55043105       0.99769313       2.30360814       0.15541562      -2.29049474 
O       3.67947623       6.68865411       3.68396477       0.19917792      -0.16815093       0.84097598 
O       3.45722930       1.10783900       0.67127234      -0.72800113       0.29610996       1.28637031 
O       8.96503115       1.01919939       4.21053625       0.55739787       3.70537990      -1.74328364 
O       1.42973462       8.81462370       6.86311112      -1.74703910      -0.46816770       3.13794053 
O       6.58467158       0.93064320       4.57976568      -0.62592582       1.41278013      -1.11886734 
O       6.18771614       8.82955813       9.37080583       1.71159987      -0.10041671       1.38613713 
O       0.08396017       1.13141129       6.71455356       0.71085111       1.79026126       1.17081518 
O       4.14253326       4.92529031       8.53732853      -0.30016865      -4.97861834      -0.69770281 
O       0.60064350       8.57649954       9.72894967       2.68103266      -2.98314902      -1.70081418 
O       1.42718160       4.03106373       1.11331680       0.93720071      -0.58869061       0.97972286 
O       3.53509783       9.01806297       5.84179295       3.89990293      -0.50275376       1.92413964 
O       9.00090479       9.40054481       8.75671515       1.63160166      -3.11154573       4.96340237 
O       1.65334028       6.15415323       9.63325836      -2.33513297      -0.30573929      -1.36137504 
O       0.90305315       8.71807572       4.60061006       2.21739151      -2.40204508      -1.46829341 
O       3.75519490       5.33355930       6.06195093      -0.85237045       1.40871523      -0.73760261 
O       3.37407932       9.05270777       1.18137787       0.88519900      -2.04155067      -2.32114576 
O       3.62464434       9.51588338       3.35507741       0.56495579      -0.29724146       1.37823395 
O       0.89620072       3.71302742       9.21703088       0.49919951      -0.99852732       0.82037539 
O       9.14452219       3.88962016       1.11973918      -0.28223651      -2.92227341      -0.02893499 
O       5.14631668       0.75614129       7.11610471      -1.23483799       1.48870384      -0.00517386 
O       6.60173598       3.65703053       8.88179807      -3.04024686      -0.17397342      -0.54211483 
O       4.45117156       2.65136194       5.64154063      -0.91945626       0.55809750       0.56930319 
O       1.42764055       3.68242142       6.97245433      -0.51043755      -2.73002472      -4.05912536 
O       8.71859977       3.91264862       8.96141288       2.06883544      -2.10857242       0.02802063 
O       8.95905558       3.90562873       6.35217070       2.59184209       0.71630700      -0.56196796 
O       6.51000016       4.26944640       6.04120870      -0.37501430      -2.28894739       1.20161977 
O       6.31269690       1.09136499       9.52687226       0.00716575       1.04940649       0.31264724 
O       5.78592887       0.42535725       1.79544322      -0.15780450       2.85557551       1.05009995 
O       8.97587644       1.34664974       9.07565826       2.00097525       0.10288613       3.31859891 
O       6.44187106       8.54286913       1.45592744       0.46740304       0.76754207      -0.97769464 
O       8.79117240       9.63435249       6.61626150       2.03063384      -1.09744858      -4.32477728 
O       1.15909146       6.05099271       6.71231693      -1.89901764       2.02907914       0.38607639 
O       8.42779493       6.91058988       7.00430978       2.36657835      -1.40475354       1.68476810 
O       9.50108386       5.97595226       9.01282192       0.15723136       2.18011766       1.25286157 
O       9.20451602       6.69879732       4.49715554       0.21087584      -1.65409154       0.98289967 
O       6.39057516       9.35312434       6.91799556      -0.81331953      -3.53350809      -1.54190135 
O       5.91547667       6.23514404       8.36550409       2.83992838       0.73201981      -1.81599746 
O       3.42036620       7.09584528       8.24731463      -1.50109266       1.96260454      -1.13404946 
O       6.81386733       6.17476285       0.49610322       1.28331890      -0.08690391      -0.91887033 
O       9.48718265       6.21670751       1.60658734      -1.08536876       0.78922088       0.70542094 
O       8.27531035       0.98091832       1.25589565       1.40243397       1.63166297       0.74471533 
O       9.01238956       9.17713571       4.14954091      -0.64230579      -0.03341052      -2.18538541 
O       9.15024438       8.76932693       1.36566588      -2.46373219       0.15126905      -1.46908859 
O       6.08558246       3.85135688       3.58984809       0.74435786      -4.60972552      -1.91487244 
O       6.63596883       6.26703381       3.26882650      -2.12623951       0.30508674       0.11813408 
O       6.33470198       8.95375194       4.08331655      -0.85373500       0.06115169      -0.82295368 
O       8.01436433       1.74986041       6.98451255      -1.02687530       3.55169968      -3.40382132 
O       1.03210820       6.28400465       3.93478464       2.49634160      -1.23561275      -0.22990098 
O       8.59611875       3.89815995       3.68852228       2.39237160      -2.78281147       2.24968168 
O       3.87443600       6.14297700       0.90576389      -0.07299351       0.87531406       0.35523678 
O       3.69543018       9.46130152       9.13841977      -1.39291626       0.60315335      -0.55677155 
O       3.26485019       2.07296289       8.02029626      -0.78055822       0.62691289       2.82772068 
O       6.26502964       6.79774185       5.59827472      -1.28567813      -0.51830722       0.69694875 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.026762622455812585 0.009127336206352912 0.014991881830110899 0.009127336206352912 -0.0204240453175885 -0.001652586559825053 0.014991881830110899 -0.001652586559825053 -0.02935016156740564" pbc="T T T" energy=-925.51266301 free_energy=-925.51289176 config_type=crystal 
Hf      10.05357017       0.15318958       0.37421584       1.42449018      -0.80887693      -1.93648911 
Hf       4.95787275       2.79163299       2.47555469       0.59519189       2.33776130      -2.10894769 
Hf       0.00327801       2.82462863       8.05314809       2.36358061      -2.93177505       2.65056938 
Hf      10.22420754       0.00206885       5.19050497       2.39543122      -3.24573780      -0.70361283 
Hf       8.36093099       5.23020787       7.85481716      -7.43579359      -6.45770807       2.81840303 
Hf       7.73002259       7.55520000       5.02111047       2.24365285       1.39159339      -0.58770645 
Hf       7.39349177       2.26632258      10.14211516      -0.44923309       0.30420498       0.53431584 
Hf       7.21545668       0.29334153       2.62289325       7.83031257      -5.21805200      -2.99232682 
Hf       2.81828569       2.21397327       4.84043288      -1.95381360       2.55576601       0.43709762 
Hf       4.82808935       2.14417156       7.41671428       4.39881810      -0.00606596       1.03210490 
Hf       5.31795105      10.10417707       5.07577208      -2.38179548      -0.18099556       2.51088081 
Hf       2.52529918       2.41352330      10.26278302       0.52394872      -0.26964670       2.12473302 
Hf       2.73984885      10.19513065       2.14360587      -0.95711444      -0.36611481       1.39411947 
Hf      10.16583754       2.37579485       2.63767801       0.70660064       3.51381963       0.03931641 
Hf       2.10029851      10.30660322       7.63077057       0.45897421      -1.74261858       0.96881803 
Hf       7.83507163      10.31665548       7.78818253      -3.92928814      -2.97465213      -5.45263399 
Hf       2.39554038       5.24300511       8.30228646       1.07307296       2.21713163      -4.98870810 
Hf       5.24017264       5.11811006       5.14346568       0.13188389       1.12502820       1.23710643 
Hf       0.14618770       4.98580902       4.85002724       1.81067877       0.28445121      -0.43319794 
Hf       2.37343127       7.65481897       5.31191509      -2.02231232      -0.57927714      -2.57481749 
Hf       5.36184127       4.95631391       9.76560283      -2.03936992      -0.60601471       0.96527088 
Hf       5.07816643       7.48943919       2.46600135       0.30589347      -1.62159362      -3.72453738 
Hf       5.06065230       7.47780057       7.56706710      -0.35325195       2.60130693       2.20885009 
Hf       7.65406739       8.20186442       0.01125598       1.09062099      -1.47026546       1.95637146 
Hf       7.82988406       5.26566401       2.52658453       2.36642738      -4.92682030      -1.35321086 
Hf       2.42692894       5.52962765       2.56377377       1.68428637      -3.49739729      -0.74988332 
Hf      10.39187093       7.97821952       2.64072493      -0.29132924       0.78258883       0.77697667 
Hf      10.15222802       5.21480676       0.27166414      -2.15381368      -0.94109142       1.91016000 
Hf       8.10493140       2.50789483       5.40112919      -2.81589576       5.01431807       0.54295715 
Hf      10.17303881       7.83704943       8.01496687       0.20615336       1.71091333      -0.78333479 
Hf       4.76774020      10.00986562       9.73862829       2.64596298      -1.58964361       3.83193069 
Hf       2.13287048       7.89528964      10.43040581       4.35704530       0.37290290      -1.51559814 
O       1.23537792       9.24229702       1.06086052      -2.49720818       0.17462992       1.29935219 
O       1.39401955       6.78468160       1.27096321      -7.15972018      -2.95012673      -1.01647654 
O       3.65801121       0.62440208       6.18004096      -0.79315650       3.75154470       0.03378397 
O       0.61738847       1.88479841       4.55412736       1.39164648      -1.07970517      -0.86679976 
O       3.08410142       3.89888892       1.29345235      -0.09427157      -2.37380228      -0.40447577 
O       1.02148772       0.96297329       9.69595027       2.08674036       2.90216012      -1.79377918 
O       4.10371653       4.15870030       3.74222205       1.18558561      -1.72630294      -2.48078611 
O       5.57346888       3.25337358       0.41029147       1.11187318      -2.57766762       0.35586881 
O       3.62612834       0.99993478       3.53670397      -2.35160731       2.40302623       0.51394619 
O       1.85238270       4.09891213       4.40599211       0.33181618      -0.94023711      -0.40613181 
O       0.91973616       1.03400509       1.72083837       0.02421220       1.57571593       1.61238471 
O       3.68343947       6.61202666       3.73219333       2.95248067      -0.93158826       4.62519215 
O       3.50830687       0.88725348       0.71178093       0.99659999       2.10721932       0.92454301 
O       8.77553223       1.69732511       3.83137774      -1.23186477      -2.95911754      -2.10129857 
O       1.07058247       8.99849474       6.42215138       2.61271659       0.13728960      -0.23859379 
O       5.79169146       1.07424271       3.30946749      -3.09568644       2.90911487       2.57732632 
O       6.23252466       8.42614766       9.18423179      -1.14226506       0.62390660       0.39981092 
O       0.80734592       1.19670007       7.00883432      -0.11101744       0.23712055      -0.38154303 
O       3.41582795       3.73945897       8.94580558       1.62000044      -2.60337726      -0.42727806 
O       0.91805979       9.20233790       8.83444992       1.16055567      -1.50216505       1.96446516 
O       0.27575360       4.51238868       2.48434358       1.03242549      -0.45602231      -2.32548380 
O       3.74606346       8.70920101       6.05650819       2.49389476       0.24776444      -0.49437699 
O       8.89028919       9.11450618       8.95615634      -1.09892374      -2.62930654       2.64151365 
O       1.17157795       6.54669246       9.07908060      -1.54925600      -0.44398132       0.46539722 
O       1.03243893       9.28380105       3.99555077       1.61391157      -0.13481160      -1.62431753 
O       3.87069465       6.07962625       6.76663724      -0.10806916      -1.83920641       0.07922151 
O       3.60777659       9.03524094       0.89927485       2.36559986      -0.44725052      -4.53382087 
O       4.13822276       8.92054844       3.08113666      -1.98444266       5.17609907       3.87402345 
O       0.83418084       3.59501934      10.16153677       0.79386070       0.96305750      -1.51061834 
O       8.27479646       3.89671048       1.11317268       1.61525747       1.21965324      -0.93429450 
O       6.62832903       1.29433413       6.10196823      -4.76879382       0.82648417       0.16805743 
O       6.39742833       3.41105599       8.17724143      -1.15411292      -2.11185179       1.43137808 
O       4.54053951       3.36430693       5.80542028      -1.47979006      -2.52606581       2.75018173 
O       1.26318577       3.97569000       6.92709979      -0.18382385      -1.39562534       3.25896232 
O       8.97505265       3.74433392       9.42553590       0.96567655       0.70522416      -2.41430634 
O       9.26127642       3.61316564       6.86791364      -1.75502313       0.40331394      -3.15593244 
O       7.10671182       4.58612211       5.82825827      -1.06968880      -0.27855246      -0.65662975 
O       6.35635624       0.75991949       9.01490720      -0.90543721       1.07816098      -1.87567301 
O       6.92942444       0.41790741       0.71743718      -1.24969169       2.85655876      -1.66134589 
O       8.88969796       0.86705538       8.78194330       3.72576664       7.38511768       4.58618199 
O       6.60076221       8.92763647       1.58776535      -1.20641309      -3.20800270      -0.45795678 
O       9.37054931       8.98487497       6.59294626      -3.54329590       1.18099190      -1.99907210 
O       1.53827937       6.13139730       6.22152856      -2.09110441       1.40521668       1.05571893 
O       8.76143007       6.69347463       6.98789051       1.16554349       3.92508470      -5.01126065 
O       8.97797669       6.52718786       9.34546842       1.11191491      -0.68090844       1.81228888 
O       9.43743848       6.61159902       4.44767250      -1.27376205       1.68127446      -0.96720353 
O       5.93246509       9.46088925       6.99725713       0.84028060      -0.20432991      -2.00571887 
O       6.33967092       5.83867873       8.37472125       1.88651207       1.76890379      -1.14819700 
O       3.88790768       6.34963505       9.57217709      -1.40636551      -0.52406236      -2.57596382 
O       5.84261841       5.87542210       0.89973274       2.34410960       1.63016726       1.53112871 
O       9.05764248       6.55330113       1.57094449       0.49269492       0.34899012      -0.68727861 
O       8.88030151       1.47330070       1.32679117       0.64916931       0.22608311      -0.44761244 
O       9.03986114       9.23935193       3.49941897      -0.23528591       0.59124446       2.35136849 
O       9.10646699       9.05632217       1.14784553       1.19060358       0.06058421      -0.99097107 
O       6.77091991       3.52692582       2.83862330      -3.45108803      -0.78228345       1.43999949 
O       6.73277155       6.53972731       3.36009815      -2.20418882       2.22487092       3.81980302 
O       6.59689610       9.23333742       3.94355175       1.04832938      -1.66175112       2.59348538 
O       8.69843077       0.79539708       6.01585192       1.00979531      -0.52848304       2.77967905 
O       1.36656158       6.76453940       3.59835125      -3.11015011       0.90985320       2.64798538 
O       8.93581078       4.20643088       3.91022381       0.55673778      -1.57199208       2.23386515 
O       3.40643893       6.85960358       1.50701014       3.14070569      -0.55363437      -1.14744492 
O       3.67740068       8.95848748       8.54045437      -1.25488331      -1.76940487       0.12485278 
O       3.81481791       0.85662728       8.81110025      -2.89905988       5.16487851      -3.18126508 
O       6.07710086       7.01331344       5.97473640       0.97843027      -0.39994128      -2.18156967 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.022832464146015332 0.02727817413050096 0.012327510071978203 0.02727817413050096 -0.005556525469429694 0.0024335182459803875 0.012327510071978203 0.0024335182459803875 -0.03078597795002852" pbc="T T T" energy=-929.0319545 free_energy=-929.03229339 config_type=crystal 
Hf      10.22381338       0.15238850       0.33274248      -1.60490573       0.26738352      -0.81038407 
Hf       5.06928387       2.85577154       2.37879991      -1.95478742      -2.13499124       4.77588674 
Hf      10.35725691       2.63423987       8.35150000       2.17288790      -1.04997337      -1.99152699 
Hf      10.21593798      10.37544339       5.28893634       1.66263497       1.07530740      -0.83272706 
Hf       8.20668599       4.89839218       7.72701596      -0.96459972       2.57548354      -3.69582008 
Hf       7.69247750       7.81434029       4.85892749       0.10416897       0.31696122       2.07587754 
Hf       7.05082534       2.18581511      10.30764754       3.68083215      -1.55327702       0.25806173 
Hf       7.23352239       0.22573636       2.50292747       1.16147033      -2.27754593       1.28568399 
Hf       2.49355687       2.20378903       4.96196754      -2.76291730       1.07446126      -2.54191372 
Hf       4.92018699       2.04148673       7.20994319      -1.26963700       3.94061253       1.76980738 
Hf       5.20895678      10.19323721       5.22162611      -1.06587110      -1.35168037      -1.04399315 
Hf       2.68928297       2.44025953      10.30766177      -1.17842976       1.94633417       0.58483713 
Hf       2.61411766      10.03499235       2.17913003      -0.03544330       3.34685455       1.62936942 
Hf      10.25684847       2.58140304       2.71708685      -0.17595234      -4.44397837      -1.24460011 
Hf       2.15007973      10.21135923       7.79431436      -1.08506386       3.39853934       0.76404100 
Hf       7.88433457      10.23463669       7.64611611      -1.34554232       3.78602342      -0.56561484 
Hf       2.61148164       5.28337502       7.99848910      -1.43520932      -2.64664822       0.50469521 
Hf       5.24663311       5.23428101       5.11448436      -0.75876114      -0.62280710      -0.73671544 
Hf       0.20484143       5.05888351       4.73904188      -6.11746185       2.46972556       2.32129467 
Hf       2.33433164       7.58380015       5.35828967       0.82232189       2.20824307      -0.71684623 
Hf       5.33372320       5.15852634       9.76774693      -0.20770797      -0.11977054       1.69893884 
Hf       5.02252257       7.41265036       2.45842696      -0.78241771       0.75383272      -1.25524535 
Hf       5.15655419       7.66951759       7.50176722       1.06771035       0.33554778       1.77221578 
Hf       7.72188418       8.21357914       0.00098592       0.49063059      -3.10404166       2.32227253 
Hf       7.80569562       5.37628494       2.47027606      -0.87147485      -0.70022609      -2.07907202 
Hf       2.36711397       5.35889273       2.52551510       1.98732234      -2.57818743       2.62615906 
Hf      10.37230029       7.91342495       2.71055552       1.49371914      -1.41998713      -2.66828865 
Hf      10.10546421       5.18603517       0.28737569       1.05873562       0.78189507      -0.87517803 
Hf       8.08447971       2.49609429       5.43460093       1.71952133      -0.44572491       0.17820703 
Hf      10.26646471       7.78765200       8.04190635       1.21845313      -1.83604180      -0.66566559 
Hf       4.94903153      10.12613945       9.86846967      -3.47063696      -0.30055162       0.13130448 
Hf       2.11934197       7.83979230      10.43585001       1.14490285      -0.28369309      -1.61030987 
O       0.93718175       9.02845078       1.09632126       0.83192120       0.07756453       2.85163939 
O       1.39700263       6.47804204       1.28893932      -2.88578389       1.43751606      -2.34984080 
O       3.47347630       0.92133843       5.95084416       3.86494201      -1.73675020       1.16875191 
O       0.58868241       1.46132141       4.29230302      -0.37956790       1.84999579      -0.78075031 
O       2.56293009       3.86601720       1.33228771       1.38849879      -3.77596723      -2.30540066 
O       0.55425604       0.86531789       9.18773912       3.19237619       4.14834376      -1.12087891 
O       4.08501815       4.07208265       3.46266482       0.02980518       0.96523008       0.16657675 
O       5.72745327       3.49066463       0.76401156       0.97516030       1.82814713      -0.80013468 
O       2.67012365       1.44091587       3.12352854       2.25015346       0.81713299       2.61627707 
O       1.65527412       4.13804431       4.32954238       3.76566535      -2.80987926       1.11005356 
O       0.99745168       1.27514655       1.47555941      -0.46959320      -0.18255077      -1.27865132 
O       3.67380512       6.63013288       4.16620299       1.89830955      -0.71457320      -2.11470260 
O       3.92103969       0.98811813       1.02672449      -3.41068636       1.89525406      -2.15744908 
O       8.51233650       0.95585722       4.12200434      -0.30600555       0.92888434      -0.53213319 
O       1.38204308       9.10054636       6.39249226      -1.63778125      -2.45870440       0.34768412 
O       5.67525184       0.97651980       3.56336044       0.06033988       1.95054110      -2.39678721 
O       6.08742377       8.73185856       9.28413010       2.38502728      -1.83415626      -0.80441313 
O       0.90329711       0.83767917       6.64950770       1.54540483       2.12131729      -0.44186871 
O       3.83852239       3.86329599       9.35292454      -0.17890350       1.86473080      -0.49677787 
O       1.10391543       9.34143956       9.28759515      -0.38923731      -5.04430419      -0.63162162 
O       0.41468947       4.36434313       2.39173236      -0.82815145       2.10397832      -1.45567003 
O       4.12347819       8.56114918       6.20063373      -2.29444897       2.30051023      -3.80908183 
O       8.92673010       9.44560996       9.03656481       0.42564185      -2.81637743       0.22143164 
O       1.42991370       6.62645757       9.01825126      -0.74349852       0.19196606      -0.57187906 
O       1.56468905       9.11122848       3.95633800      -2.22589307      -0.17457549      -1.08028167 
O       3.91222003       6.05011093       6.69749543      -0.52514251      -0.23719919      -1.26616418 
O       3.66513733       8.91134572       0.60276761      -0.31691102      -0.00566257       1.78006751 
O       3.79641404       9.38612783       3.53321695       4.31551045      -1.52759892       0.04075515 
O       1.07082288       3.99321785       9.54792848      -1.04913540      -0.41685021       3.44420149 
O       8.60132149       4.16303979       0.98790860      -0.43800868      -0.79749778       1.06384102 
O       6.30587702       1.50699601       5.94283532       0.14499188      -1.73480014      -0.10852248 
O       6.20249703       3.15956283       8.96267061      -0.18546311       2.03040590      -3.84012020 
O       4.36800651       3.69086859       5.90730686      -0.61741542      -3.46222563       1.91685440 
O       1.92990365       3.37447212       7.62317504      -0.30398065       1.62981538      -3.02359780 
O       9.17242592       4.06668178       9.11475161      -0.60779606       0.88278099       0.95691512 
O       9.65799951       3.57589728       6.62034060      -0.92995884       2.01406707      -0.78756646 
O       7.06401956       4.09967533       6.00546725      -0.29630255       1.83828451       1.76467114 
O       6.01644274       0.65337368       8.35855673       0.27331437       0.46429015       0.90446766 
O       6.00301617       0.56491095       0.76854385       5.35417125       3.72873422      -0.01528444 
O       8.86775128       1.59123908       9.47226832      -2.67046769       0.19602865      -0.60837121 
O       6.20440324       8.86628298       1.43605872       0.51137833      -0.95963829       2.03410428 
O       8.71775734       9.28110045       6.16251520       3.19015786      -2.31059592      -0.20954814 
O       1.05903877       6.60241786       6.59304506       1.86664995      -1.75272717      -1.09317994 
O       9.24284000       6.42264203       6.71535778      -2.40382475       0.30021765       0.46689527 
O       9.32032683       6.72192679       9.44113880      -0.58505677       0.52895745      -0.41558285 
O       8.94594290       6.41600123       3.59370876       1.80155755       0.83567708       5.91086344 
O       6.56534574       9.12337388       6.59075422      -2.29296794       0.47389584       1.75488474 
O       6.55703432       6.00483018       8.48783753       1.48483722      -0.91190855      -0.54661205 
O       4.21736691       6.67920732       8.94953752      -1.73172769      -2.62518302       3.41714455 
O       6.94346254       6.49038587       1.00226236      -4.02862214      -1.36071706      -1.27302202 
O       9.08144680       6.92473809       1.50075805       2.13985409      -2.01446088      -2.63304990 
O       8.75603611       1.31967123       1.31230867      -1.32553523       0.78402831       3.20490984 
O       9.32371495       9.11797918       3.58687726      -2.03101397       0.96655496       3.13393510 
O       8.91395809       9.16683948       1.15968207      -0.62829036       2.58961824      -0.22800249 
O       6.70904980       3.98257404       3.37551570      -1.70777423      -2.12671191      -0.49632830 
O       6.35180867       6.45312850       3.66179150      -0.03545919       1.52014901      -1.76221923 
O       6.86709528       9.54161401       4.38651190       0.12020297      -2.01579815      -3.62930438 
O       9.22876966       1.29523359       6.84423899      -4.15281195      -1.55333862      -0.69906234 
O       1.19588151       6.65097558       3.76257179      -1.63647375      -1.07541750       1.97553739 
O       9.19518279       3.51778873       4.02479322      -0.08187922       2.35599747       1.27444889 
O       3.74899117       6.10788143       1.37286485       4.61133809       2.77732596      -0.59418116 
O       3.58613940       9.06460972       8.46715130       1.83388560       0.40368329       1.44159548 
O       3.29401635       1.56835002       8.34175345       0.85148795      -2.32119666       2.61856449 
O       6.09130464       6.93812928       5.89650804       2.38098689      -1.42979163      -0.62075570 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015923798118625 0.004236257714590164 0.004649272785094432 0.004236257714590164 -0.04000646378050057 0.005349037508561803 0.004649272785094432 0.005349037508561803 -0.02859619936104363" pbc="T T T" energy=-928.9366955 free_energy=-928.93690818 config_type=crystal 
Hf      10.29736701       0.20508990       0.24928898      -4.85230420      -3.39389678      -2.29431547 
Hf       5.07525516       2.84065091       2.37252249      -1.66995524       0.96766959       3.43952528 
Hf      10.36139493       2.52670814       8.44561887      -3.22547101       9.28104566      -3.90308494 
Hf      10.24839168      10.32712440       5.30062698       1.62938678       1.41042471      -0.64184232 
Hf       8.04662891       4.83090361       7.50823994       3.40157878       3.86210756       7.01798743 
Hf       7.71138532       7.97560611       4.84514539       0.51708109      -2.58954915       3.26312502 
Hf       6.94820813       2.19412423      10.35079853       5.27960752       8.27475202      -4.14162511 
Hf       7.29668591       0.10163737       2.48300997      -2.44979098      -1.16258429       2.17011132 
Hf       2.25520183       2.24714160       5.01110792       1.89862342      -1.66283665       2.42180773 
Hf       4.97556565       2.08250283       7.19122282      -0.52346269       3.16308978       2.01966097 
Hf       5.11529078      10.19962850       5.26195364       2.82425882      -2.60609313      -6.58389158 
Hf       2.76200297       2.52810935      10.32366595      -2.62193520       2.90008594      -5.06990720 
Hf       2.58022015      10.05624387       2.30116896       3.36264747       1.07268126       2.51166679 
Hf      10.29481723       2.60862866       2.73566687      -2.95010484       0.65050837      -3.99707042 
Hf       2.17075320      10.24876365       7.91517940      -1.52888233       0.87278843      -2.72323225 
Hf       7.84877837      10.24498064       7.56079356       0.26561454       0.55189443       2.07321543 
Hf       2.67283314       5.23893585       7.79963402      -0.85444922       0.92554093       0.56114690 
Hf       5.25452599       5.23866896       5.11151719       0.04721721      -2.43121467      -2.30559044 
Hf       0.09232559       5.11301134       4.77751511      -0.33321423       0.46866761       3.45582447 
Hf       2.34409838       7.58257769       5.34896816       1.53080013       1.28879682      -2.78952259 
Hf       5.35334711       5.25472129       9.82828490       1.19117907      -1.35234264       2.43036688 
Hf       4.98163374       7.42236655       2.42444593       0.35709525       4.56989077      -2.01633656 
Hf       5.23415593       7.77343618       7.49483117      -0.43767591      -1.61523705      -0.38913810 
Hf       7.76444676       8.07867892       0.08931719      -0.08957632      -0.40217000       0.05139814 
Hf       7.77724870       5.41865306       2.40940820      -2.17584474      -2.09917718      -0.89905444 
Hf       2.40435188       5.16334885       2.51937133       3.31761036       1.37252060      -0.50057604 
Hf      10.30066888       7.83024839       2.74721234       2.00232358      -0.37294381      -1.16040781 
Hf      10.06333095       5.15126562       0.25193818       0.07751888       0.18407201      -0.14989822 
Hf       8.08111169       2.53414458       5.42539957      -0.32246150       0.46264645       0.06301755 
Hf      10.32271918       7.66410625       7.99457798      -1.45927713      -0.98752336      -1.01247556 
Hf       4.97392130      10.19848381       9.95791768       0.54770802      -0.55775090       1.29276953 
Hf       2.18953637       7.74694288      10.39464939       1.59400399       1.50156765      -1.06527339 
O       1.13366006       9.25471453       1.03176428      -1.41288020       0.44890013       1.39391054 
O       1.59805257       6.97972834       1.50969388      -1.35670991      -2.66006286       0.39550407 
O       3.67140805       0.61568803       5.96104724      -1.33586324       3.32429892       1.94243736 
O       0.43170929       1.39740286       4.03349325       0.03286484      -0.76950509       0.80325029 
O       2.58415701       3.33866641       1.46043021       2.38511476       3.79709354       4.37102493 
O       0.44717897       0.87944025       8.79468140       3.65513823      -3.99374994       2.07960973 
O       4.07518839       4.51231008       3.51091201       1.23221268      -2.10225841      -0.15344148 
O       5.91571613       4.05510156       0.98690468       0.05023703      -3.72598718       0.46838178 
O       2.74652021       1.73936082       3.27184914       1.86146198      -2.25403568      -0.46482613 
O       1.78473599       3.99905851       4.37065320      -2.66177654       2.41945870      -0.20985420 
O       1.04829585       1.33539962       1.03108889       0.42403265       2.16580808       1.38980012 
O       3.53341717       6.97133215       3.62962415      -1.72672930      -1.25578176       3.12109291 
O       3.78235929       1.27159903       0.79495938       2.72052102      -3.80540487       1.00111174 
O       8.23832155       0.96356746       4.39933509       1.95781820      -1.53706623      -1.28563735 
O       1.18740065       8.80045445       6.66389935      -0.26757408       2.26103470      -1.01461649 
O       5.69995207       1.00218083       3.35536052      -1.55261828       3.27474171       0.15264970 
O       6.29420062       8.76324397       9.24038997      -0.77636012      -0.85655355      -0.49491386 
O       1.21806264       0.95182627       6.26559241       0.09719934      -0.03155358       1.76198252 
O       3.77825508       3.97545430       9.37964464       1.02768392      -0.26851248       0.34781018 
O       0.92680451       9.09594626       9.06569454       2.44686986       0.66233082       2.32905777 
O       0.52768728       4.46685736       2.16624792      -1.83768143       0.11845532       0.93042935 
O       3.91743157       8.58419293       6.06239501       1.49975354       0.68585101       0.65960321 
O       8.97256891       9.29226192       8.90066162      -0.91950708       0.69726236      -0.49625506 
O       1.48695826       6.79117263       8.80052813      -0.45655477      -2.07645860       0.71623564 
O       1.71385365       9.26668253       3.99528325      -1.44775007       0.03550869      -0.75076026 
O       3.97467321       6.16862851       6.39103243      -1.05498682      -0.41567995       0.77344953 
O       3.64259753       8.74757492       1.05824156      -0.17844825       1.10248975      -3.01072565 
O       4.41847044       9.30479886       3.19528701      -2.54813778       2.33588404       2.19915812 
O       1.19328998       4.24163227      10.09422581       0.03753563      -1.50447503      -0.89382007 
O       8.62635947       3.81407314       1.22030334       0.55260954       2.32149525       0.80400246 
O       6.40606891       1.48508491       5.96277835      -2.10476620      -1.98734373       0.30629552 
O       6.30831376       3.49192716       8.75331291      -0.63737397      -1.64711243       0.80821929 
O       3.96635111       3.44451779       6.10064122       1.93842316      -0.25915188      -0.95320701 
O       2.16618303       3.47753656       7.64002311      -4.53443361      -3.14269255      -0.29580312 
O       9.32964792       4.27589337       9.22972512      -2.06207708      -2.44526988      -2.51747836 
O       9.80726469       3.91738657       6.77792954      -0.00809366      -1.65166756      -1.54862010 
O       6.91447012       3.97281253       6.42320469      -4.17811854      -1.75269113      -5.25825759 
O       6.19926569       0.61464675       8.39935670      -1.94183140       1.45899746       1.91556328 
O       6.27558700       0.90689822       0.87089104      -4.14940169      -4.01734639       1.25311097 
O       8.53129393       1.43364762       9.60200932       2.90283482      -0.07090158      -0.80671255 
O       6.31199420       8.85071252       1.54978319       0.26830059       0.40188176      -2.01914215 
O       8.84154098       9.23095574       6.12682452      -0.80637271      -0.46825159       3.63068893 
O       1.25671955       6.45619311       6.49779678      -0.81478054      -3.61964984      -1.18116849 
O       9.03489199       6.33362857       6.83966484       0.82746740       2.38136111      -1.97357434 
O       9.12799010       6.94881108       9.38423910       1.22766482      -1.17722577       0.80137765 
O       9.11755111       6.27217942       3.92586576      -1.81371905       1.29335055      -1.61871185 
O       6.43258942       9.02649716       6.41837318       0.03523737       1.57935977       1.44573248 
O       6.84602682       6.00256508       8.74978015      -1.75364112       1.22659330      -1.62495033 
O       3.87455207       6.28645877       9.00845500       1.66890403       4.11065624       0.27999253 
O       6.73014380       6.44910341       0.82807967       1.28114898      -0.57416781       0.41330254 
O       9.34571825       6.94342999       1.21710404      -0.66609463      -0.52425119       2.95740968 
O       8.47281173       1.39938589       1.77617976       4.81121293       3.82262540      -0.25932910 
O       9.41192314       8.93027008       4.15081998       1.61894359      -1.54549149      -4.75977049 
O       8.58024927       9.57495691       1.34494438       4.32036790      -2.59805234      -2.48956677 
O       6.57718929       4.05865913       3.62091198       0.48075766      -1.67423953      -0.13442541 
O       6.31706686       6.42952042       3.36356445       2.32230337      -0.05097581       2.92720817 
O       6.81046707       9.24983571       3.93184740      -0.92051739      -0.06521387       0.75858716 
O       8.90418151       1.44579040       6.93957738       1.28870388      -0.74197343       0.55279631 
O       1.11102701       6.64219172       3.75097221      -0.71788035      -1.23034507       2.08880731 
O       9.27322108       3.63016264       4.18262708       0.94131809       0.43556810      -1.17070374 
O       4.24573743       6.03584289       1.41837189      -2.82605531      -2.53769741      -3.57428803 
O       3.89918899       9.38165049       8.51119998      -0.69840253      -1.92710991       0.24198437 
O       3.54058264       1.42145753       8.52341613      -0.37877612      -1.87157815       0.82978287 
O       6.32535975       6.74255326       5.87262616       0.24886324      -0.15943140       0.93315945 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00035201248269269464 -0.00017566975222710728 -0.0010920516110928887 -0.00017566975222710728 -0.010404784674536179 0.010842252791908922 -0.0010920516110928887 0.010842252791908922 -0.009931504057308487" pbc="T T T" energy=-929.49457572 free_energy=-929.49464757 config_type=crystal 
Hf      10.28603044       0.19926326       0.14856551       0.29705234      -1.38096138       0.13893965 
Hf       5.04484446       2.84758624       2.42045517      -3.24335438       4.86689235       1.12387244 
Hf      10.33442761       2.55221804       8.46480530      -0.09370837       2.99837577      -4.32775855 
Hf      10.29555792      10.30270634       5.29643464       0.96672364      -1.64257670      -0.20000399 
Hf       7.95337057       4.82536218       7.40629926      -1.20378466       4.20685167       1.27916533 
Hf       7.73392146       8.06905389       4.88419384       2.09657141      -5.21836044       4.21989436 
Hf       6.93912859       2.29022634      10.33951869       1.85721576       1.45154659      -2.24608919 
Hf       7.32866611      10.45570303       2.48847375      -0.46016099       1.97951081      -0.01343154 
Hf       2.09345801       2.27069568       5.06448826       4.49630354       0.62361078      -0.23984727 
Hf       5.01080095       2.15987421       7.21003728       0.59491279      -0.15994321       1.70371795 
Hf       5.07084480      10.17296649       5.20308692      -1.44420655       1.35322192      -3.53878379 
Hf       2.78807930       2.63464261      10.28853291      -0.77219151      -0.21073476       1.15685487 
Hf       2.59795627      10.09930286       2.43051068       3.16226525       1.97816637       0.61751291 
Hf      10.29735225       2.61169839       2.67396203       2.09584690       4.58229054      -1.84094206 
Hf       2.16911953      10.29732127       7.96724613       5.58971788      -2.59647482      -4.41493690 
Hf       7.81733372      10.26840735       7.52651560      -1.66315024      -1.27184638       3.20231348 
Hf       2.70590340       5.20348955       7.65561659      -1.67920554      -0.99203605       1.18265381 
Hf       5.26143588       5.20464554       5.07721631       2.57312737      -1.72339158      -0.96506365 
Hf      10.46482579       5.16118015       4.86478961      -2.13599409       1.30121111       4.52773676 
Hf       2.37518718       7.60246651       5.30016364      -1.23294570      -1.19288920      -1.35710028 
Hf       5.36768466       5.30445740       9.92434777       1.63625269       0.29166565      -1.13111160 
Hf       4.94624124       7.48245290       2.36613769       0.52928801       0.96465654      -0.51695795 
Hf       5.29018559       7.83063145       7.49715079       0.06956076      -2.22567486       2.32092595 
Hf       7.79921192       7.96401249       0.16025479       0.47463027       0.67264837      -3.84507861 
Hf       7.71954655       5.41592515       2.33747485      -1.37385458      -2.08493746       1.70755804 
Hf       2.47895778       5.02314583       2.51385973      -0.59004482       4.20586849       0.83231430 
Hf      10.28204627       7.75367861       2.74989441       5.71719193      -2.06615553      -1.03167551 
Hf      10.02926378       5.12456812       0.21665097       0.00681343       0.10394047      -0.28526551 
Hf       8.08576308       2.55953538       5.40963308      -2.93269200      -0.90782173      -2.14049567 
Hf      10.34615687       7.55351212       7.94364673      -3.50413871       0.15345218      -0.66360377 
Hf       4.98196165      10.26122994      10.05533822      -0.53869113      -0.81147845       0.18443596 
Hf       2.26926840       7.69341852      10.35070831       1.08782387      -1.23028299       0.46982949 
O       1.05771627       9.48820771       1.28027027      -0.81848937       0.27764091      -0.01978443 
O       1.51778446       7.02822212       1.61592707       1.01028147      -0.84753737      -2.15236677 
O       3.78963121       0.78193912       6.26032739      -0.16897907      -0.57859296       0.02302571 
O       0.33674234       1.27060327       3.97270096       1.13012329       0.71948021       1.22056549 
O       2.99610329       3.33729639       1.94313910       0.46308946      -1.41048467      -4.50300495 
O       0.80693795       0.63156588       8.80589374      -4.87397940       5.04309857       3.13807240 
O       4.26674592       4.57196585       3.50644923      -1.18570331       0.13577098       0.11424166 
O       6.12867473       3.98157305       1.17788017       1.05839497      -1.92299582      -2.98444331 
O       3.08003572       1.64577007       3.44372655      -1.66977260      -2.31383156       1.34222787 
O       1.56832291       4.12442873       4.41662295       1.45708394      -2.77292126      -1.87420158 
O       1.15727516       1.71039279       0.90438371      -2.88540782      -0.97019814      -0.01740248 
O       3.33946938       7.04702559       3.55166426       1.46747574      -0.11373209       0.30066489 
O       3.87027684       1.10409064       0.68546200      -0.98291342       0.63865797       1.60543675 
O       8.28898340       0.76393181       4.44125044       0.57084495      -0.37405751       0.71220448 
O       0.99165351       8.85695341       6.71667223       1.47397589       0.20862347      -1.79209388 
O       5.54588155       1.41519163       3.26404575       4.01258855      -6.45268298       4.10737381 
O       6.51102564       8.48041292       9.07014802      -1.20755394       1.42637584       0.60617784 
O       1.44339783       0.98814722       6.32483822      -3.55562316      -2.52814031       0.93302071 
O       3.87003518       4.05691096       9.41610920      -0.80922597      -1.49912685      -0.87966474 
O       1.12894190       8.83769706       9.23422391       0.53509028       1.22015398       0.78489499 
O       0.42420576       4.76159633       2.07697919       0.41812623      -1.55237327       2.26985243 
O       3.87185117       8.73889331       5.91927998       0.10742404      -1.16322066       0.92879937 
O       8.91203524       9.19457920       8.76155410       1.21629180       1.38451983       1.86070004 
O       1.44700992       6.55240637       8.66947205       0.12052199      -1.70694186       0.92643394 
O       1.55732880       9.37191808       3.93581598       0.07247263      -0.91136187       1.40757140 
O       3.85930753       6.19789347       6.23733346      -0.23516277       0.21654376       1.24076975 
O       3.62836800       8.77713293       1.02414457       0.41270608       0.02087559      -0.78650883 
O       4.64210969       9.48713095       3.24048571      -4.12753187      -0.18283441       0.09010497 
O       1.27251943       4.18677975      10.41811346       0.04939517      -1.20820588      -2.41399082 
O       8.73117187       3.91809743       1.49415848       0.55753417       2.04277742      -2.59930529 
O       6.20798676       1.13000840       6.01959736       2.45274620       1.81257961       0.44922735 
O       6.31572676       3.56061066       8.64627278       0.45680708      -1.21911830       2.56821595 
O       3.86921347       3.21639712       6.13019872      -1.83178835       2.97259220      -1.29526884 
O       1.69651921       3.23958101       7.57353375      -1.03217017       0.42468752       2.47598525 
O       9.14385926       4.14358145       8.99567692       0.56063841      -1.04015000       1.88164250 
O       9.83236934       4.01635380       6.65719481      -1.97405100      -2.51407450       0.65194820 
O       6.31312780       3.91486986       6.27074816       2.72422051      -0.99281398       0.66144647 
O       6.10006674       0.83424186       8.71875801       1.55020137       0.63842176       1.02362471 
O       6.18538489       0.86010070       1.02541569       1.98767046       1.24443834      -1.38633801 
O       8.58043567       1.35827225       9.61207330       2.05307514       0.89624492       1.16183373 
O       6.43641607       8.83998895       1.39711629      -0.65886236      -0.02288961      -1.11565333 
O       8.96559602       9.06755198       6.43433895      -0.94538334       1.55068777      -2.01238692 
O       1.29575031       5.79405305       6.31905868       1.42466431       2.01164442       1.07342619 
O       8.93468786       6.52817785       6.69876886       1.88981509      -0.83097868       0.74632486 
O       9.17096254       6.93168168       9.46577393       2.15885252      -1.96005343       0.66056281 
O       9.03464091       6.45840933       4.12726611      -2.30725971       0.06450235      -3.36383089 
O       6.28423292       9.18304566       6.51382315       1.90089436       0.08144472      -1.10606714 
O       7.02311053       6.21799088       8.55133398      -3.07642005      -1.91947059       0.30035853 
O       3.80216543       6.52094665       9.09916943       1.60693196       0.55822846      -1.33834862 
O       6.68358198       6.32460838       0.74130514       2.29380667       0.91243179       1.27105342 
O       9.45763678       6.81155231       1.32171308      -4.18819020      -0.99138409       0.18707471 
O       8.79023661       1.82942781       2.18243170      -3.62732651      -4.99947000      -1.86197889 
O       9.59150701       8.70206976       4.15670387      -1.93555232       4.55820064       1.97066678 
O       8.86004889       9.65400320       1.19303272      -0.61590550      -0.70455981       0.62564430 
O       6.52272057       3.81347070       3.80181387       1.46685997       0.26826172      -0.56517940 
O       6.51688524       6.50305353       3.50453088      -2.53020205       0.70426197      -0.52255462 
O       6.68580207       8.95976802       3.63431301       1.27590322       1.63388130       1.55805150 
O       8.75404031       1.46092578       7.04677765       2.42288297       1.47767669      -0.39945777 
O       0.96855052       6.55333619       4.03151870       1.87961959       3.95249407      -1.77417157 
O       9.14318095       3.84365910       4.38560155      -0.84472803      -3.30891532      -3.32539714 
O       4.35502988       5.80895577       1.05960154      -2.71952870       2.18348911       2.63879886 
O       4.13974402       9.23586292       8.60522078      -2.07032247      -2.17210549      -1.29663273 
O       3.67739712       1.03720230       8.83270123      -2.10217508       2.57180911      -0.30609145 
O       6.59642146       6.54598358       5.94688783      -1.56461809       1.38998007       0.20274702 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009294226714258644 -0.009029501849038592 -0.010598753245769496 -0.009029501849038592 -0.010330110997210729 0.009515414675310684 -0.010598753245769496 0.009515414675310684 -0.029915813455115424" pbc="T T T" energy=-930.97706295 free_energy=-930.97950405 config_type=crystal 
Hf      10.27178730       0.17008423       0.03199381       0.37438007      -2.39500189       2.78193771 
Hf       4.99849332       2.89330260       2.53274169       5.33550695      -4.66420109       2.79036263 
Hf      10.25908531       2.61787764       8.42521365      -3.25766065      -2.33805506      -0.34714982 
Hf      10.36739698      10.24952977       5.29144676      -0.20624839       0.40745553      -1.10228085 
Hf       7.83007350       4.89798243       7.32982901      -1.43527804       1.00689632       2.76465590 
Hf       7.79558015       8.09223244       5.01082021       0.54364158      -0.33719182      -0.16457945 
Hf       6.99362379       2.44053531      10.27308270       9.81097810      -5.27810039       0.32999838 
Hf       7.35697561      10.37055327       2.50023734       2.09403625       4.04154304      -0.88046559 
Hf       1.98425358       2.29610447       5.13519498       2.18268821      -2.82432157       2.68093847 
Hf       5.06078679       2.25697334       7.26344369      -1.01207774      -0.62598085       1.61214196 
Hf       5.01144943      10.16428331       5.05833895       0.75949610       3.42081087      -0.19219554 
Hf       2.78857655       2.75415813      10.26285314      -1.97267533      -4.24452495      -0.02461812 
Hf       2.66749925      10.18776946       2.59686161      -5.57791731       3.00583241      -3.59286853 
Hf      10.32445175       2.69259092       2.55370518      -2.27427056      -1.43541126      -0.26732493 
Hf       2.23832780      10.32463491       7.96805538       0.67529994      -0.09677411       0.24636238 
Hf       7.75981672      10.28436003       7.54851451       1.35769100       1.23915016       1.88580420 
Hf       2.72290805       5.13832542       7.51202221       0.93255865      -3.42589502       3.41035353 
Hf       5.31670798       5.13717456       5.01727314       0.94989085       0.61918602       0.69092595 
Hf      10.32486067       5.23467956       5.04623824      -0.49345412      -1.57913481      -2.56251546 
Hf       2.39433028       7.61729314       5.22275510       0.97400639       2.10827860       0.82243001 
Hf       5.41337841       5.36736816      10.01828453      -1.75595723      -0.44693190      -2.81277501 
Hf       4.91515139       7.58278974       2.28541743      -0.44623609       1.37491472       0.65578087 
Hf       5.35773140       7.85515648       7.53720358      -1.48442108      -1.66138423       1.03432890 
Hf       7.86186500       7.85040629       0.17097082       2.88901652       4.42246137      -2.58987808 
Hf       7.62276591       5.37299374       2.29575542      -0.89995250      -3.29034229       6.04840197 
Hf       2.55997893       4.93094290       2.51443694      -2.94296421       3.62690939      -1.57326602 
Hf      10.35099519       7.64169780       2.73722874      -1.03080663       3.34353962      -2.24748897 
Hf       9.99852487       5.09380503       0.16995685       6.12885410      -1.61288479       0.06204411 
Hf       8.03570544       2.55941575       5.35503918      -0.77425232      -4.29072638      -2.68075424 
Hf      10.31156922       7.42911924       7.87277214       1.65847190       3.96271963       2.82630876 
Hf       4.98567673      10.31370255      10.18005566      -1.60928258      -0.70920827       1.51606182 
Hf       2.40389377       7.59358782      10.30983298       2.40965680      -0.66119778      -1.46817924 
O       0.88823876       9.77286470       1.64460445       0.53590132      -1.03490406      -0.34394330 
O       1.51949820       6.84313993       1.40594526      -1.14431368      -0.27246284       0.49837485 
O       3.73333875       0.95838857       6.68240077       0.18730339      -1.37610608      -1.71605396 
O       0.49541402       1.36741824       4.09577750      -0.21050842       1.48966065      -0.79662922 
O       3.34102015       3.26414717       1.66319609      -2.05356373       1.51768116      -0.47400571 
O       0.81241345       1.04515902       9.10223278       2.92929064      -0.99009691      -2.31319865 
O       4.26877301       4.58998498       3.48151821      -0.22193376      -1.42434373      -0.35457746 
O       6.39303566       3.60182132       1.03575064      -5.03281933       5.31272686       5.62998976 
O       3.18572498       1.17260437       3.88887611      -0.37005160       2.90876459       1.18957385 
O       1.45124737       3.88105640       4.11638503       0.48604091      -0.19776150       0.42821717 
O       0.73495111       1.98050322       0.87311374      -0.13361477      -0.81697175       2.35009853 
O       3.38859626       7.04160651       3.51686278       0.47172197      -0.71107469      -0.57179306 
O       3.83000803       0.94659840       1.00127676      -0.49675668       0.71147970       0.96727161 
O       8.46497789       0.48932395       4.63675497      -0.69108946       2.44240228       1.53176627 
O       1.06657883       8.83052458       6.50687589       0.32411488      -3.92785843       2.19888388 
O       5.94914288       1.09416240       3.68456888      -1.01989850       0.42170369      -0.92638238 
O       6.54957087       8.47021214       8.99064100       0.60686327       1.77448942      -0.12009763 
O       1.10100834       0.69018686       6.56163223       1.38799828       2.83564608      -0.41253536 
O       3.93317305       3.95733679       9.24569591       0.43467869       1.11110218      -1.06101484 
O       1.37301755       8.99225112       9.47177379      -1.09817524       0.05648859      -1.25805355 
O       0.41585593       4.81665744       2.40893126       0.92719151       0.40673602      -1.18788444 
O       3.91123255       8.74767853       5.92880893       0.57077148       0.08902267      -0.39117583 
O       9.06424100       9.30043686       8.95956298       0.36209031      -0.94799927       0.03591124 
O       1.39540622       6.00392464       8.72529667      -0.43521639       2.91740369      -0.57840149 
O       1.46073697       9.31757495       4.09045377       1.93673771      -0.36903933       0.23903934 
O       3.74225261       6.27281775       6.27518730       2.25931882       0.12595940      -0.74051626 
O       3.69766262       8.81657669       0.81361141       0.12581818      -0.89861619       0.85259774 
O       4.17370925       9.58417178       3.32453432       5.68148197      -5.34960671       1.09866870 
O       1.33984315       3.98844348      10.34603400      -1.67442913       2.25068312      -0.46961309 
O       8.91804619       4.27357480       1.34780657      -3.43640149      -5.22345052       1.41879516 
O       6.35994416       1.11463136       6.22418802       0.03664576       1.39915125       1.52088291 
O       6.34121751       3.50564657       8.90953455      -1.31536119       3.63022684      -3.65955290 
O       3.50674730       3.48545204       5.97714069       1.61354711       0.90563598       1.28274097 
O       1.36882982       3.16185838       7.70471186       4.47107613       2.56754233      -1.81842292 
O       8.87694835       3.94547534       9.05729939      -0.24697432       2.80460430       0.29308829 
O       9.45876325       3.75409114       6.48938509      -1.21081456       3.13289771      -1.18654649 
O       6.05439915       3.59580839       6.16483357       3.16394214       2.72066410       1.24638124 
O       6.18052397       1.17342921       9.18655707      -2.46748265      -4.15907515      -5.11231089 
O       6.30421195       0.84919963       1.08010368      -0.34394749       0.82327922      -0.91547454 
O       8.99094358       1.44640916       9.81965091      -3.14282849       1.70657056       0.10103071 
O       6.39159060       8.83770292       1.03179923      -1.65387494      -0.38918257       1.38247287 
O       8.91916743       9.12652054       6.52081017       0.37239165      -0.81475628      -0.30314798 
O       1.46376736       5.34646171       6.14662343      -2.87227227       1.99540756      -1.66020696 
O       9.20003806       6.58048164       6.59279743      -0.59794113      -3.10378551      -1.24425969 
O       9.60038570       6.58419327       9.62850105      -2.43225753       4.53086718      -3.24814297 
O       8.56283267       6.68155415       3.71355209       2.34321645      -1.50139792       2.80390922 
O       6.41426342       9.28104446       6.41597841      -0.44561322      -1.89290254      -0.90526747 
O       6.59760665       6.07676719       8.41356718      -0.07504126      -0.97349445       1.28999987 
O       4.09599897       6.82121869       8.99763410       0.71261084      -4.72103118       1.33837763 
O       6.87771136       6.24969875       0.79310645      -5.10939253      -0.62867035      -2.52355967 
O       8.89127480       6.56493756       1.57750188       4.64889012       3.86406415      -2.73890074 
O       8.59500022       1.51814324       2.31816806       1.66995867       0.75160895      -0.87248812 
O       9.50408734       8.96160818       4.13463055      -1.39446791      -4.00758724      -2.91115714 
O       8.99188774       9.35698773       1.13471275      -2.35301597      -2.09974520       0.83545989 
O       6.67156657       3.62478123       3.85527407      -1.96045346       2.19655878      -0.86765729 
O       6.21525491       6.63384744       3.57415256      -2.17503099      -2.54718091      -1.16313904 
O       6.66130970       8.93654111       3.61817078      -1.12817592      -0.51215397       2.37308040 
O       8.97207177       1.64053603       7.09694298      -1.78736594      -2.30402778      -0.17495992 
O       0.95252237       6.92594024       4.13005588      -2.38132821      -3.80135589       0.99911566 
O       9.03957771       3.62782690       3.97251696       1.61347496       1.60015453       1.49685215 
O       3.97205844       5.88515755       1.05356945       1.45893085       0.83902545       0.57259760 
O       3.94176706       8.85651613       8.48327574      -0.91814511       4.77058009       0.15141424 
O       3.43896024       1.01946586       9.11999141       0.64640751       0.73692798       0.04634848 
O       6.62942819       6.51721388       6.07170857       0.06997104      -0.99379290      -0.77641315 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.024983387886419968 -0.0032563487896827012 0.004172538147924022 -0.0032563487896827012 -0.039439741617530416 0.018349726190187585 0.004172538147924022 0.018349726190187585 -0.030607608626515792" pbc="T T T" energy=-925.49812414 free_energy=-925.49818398 config_type=crystal 
Hf       0.17761843      10.39202321      10.46611700       1.03444139      -1.54398527      -0.02415287 
Hf       5.02493639       2.54806704       2.62285149       2.47862208       3.12101796      -2.88264570 
Hf       0.02972202       2.35842389       7.86686407       2.08866769       0.24720872       0.13520711 
Hf       9.85223167      10.20484726       5.04999802       6.63793174      -3.11083434       5.13898937 
Hf       7.81533782       5.09767261       7.64235875      -1.13077815       0.12380640       2.77550156 
Hf       7.61328228       7.81266203       5.16403239      -1.50476985      -0.07626817       0.75454149 
Hf       8.04784110       2.42825458      10.42582266      -5.09806690      -0.46861046       1.48943052 
Hf       7.43853369       0.03783416       2.73372298       0.99713513      -1.52187793      -1.21355466 
Hf       2.48457499       2.67541170       4.91551331       0.82665345      -0.22583915       2.25095052 
Hf       5.16060995       2.45735292       7.69701994       1.57288716       1.19559370      -4.21387278 
Hf       4.63937927      10.40948492       4.54181429       3.17772200      -0.34854460       4.20103872 
Hf       2.88040604       2.51931440       9.76024309      -1.55886667      -0.16200633       4.58025567 
Hf       2.44413893       0.37317707       2.38065588      -3.19255469       0.36347794      -2.73556586 
Hf      10.14173011       2.38547577       2.99224304       1.45687549      -1.71911485      -1.47247876 
Hf       2.47996578      10.32104459       7.66621425      -0.03702930      -1.11384964      -2.69966322 
Hf       7.96075122       0.16271676       7.82153266      -5.56682007      -3.34658358      -1.97245834 
Hf       1.96610571       5.26820363       8.03996089       0.16600609       2.89654721      -4.12259318 
Hf       4.81252884       5.24472920       5.07304920       0.98148202      -5.54671741      -0.70362396 
Hf       9.91921022       5.18349900       4.71969071       2.04452931       2.33805433       1.51489342 
Hf       2.35201931       7.25946433       5.31273323      -3.14555932      -0.60083119       0.94459583 
Hf       5.29866509       5.30017107       9.95707966       4.01394373      -2.06275309      -0.01293392 
Hf       4.78303624       7.79877380       2.76923930       1.02034838       1.13094836      -2.25828242 
Hf       5.11613163       7.64223420       7.36887265      -1.09182866       2.60093168       0.74243210 
Hf       8.22888658       7.94910967       0.47118361      -5.61807393       2.73782651       0.05266848 
Hf       7.39786706       5.31800433       2.37086297      -2.31602167      -3.43419896      -1.84233270 
Hf       2.77349402       5.01662089       1.88290005      -1.92594901      -1.79436451       2.21392042 
Hf       0.50931575       7.82685870       2.22461446      -0.94975550      -3.47718955       3.70474492 
Hf      10.25713943       4.82445413       0.13080730       1.66345204       3.14119436      -5.15838675 
Hf       7.80365063       2.84802613       5.31617850      -4.31133570      -0.28910940      -1.21637926 
Hf      10.11980342       7.67333252       7.84349430       1.49470222      -1.16717468      -1.73607777 
Hf       5.26846205      10.15512109      10.46525229       0.79252062      -1.57288204      -1.48563476 
Hf       2.75677646       7.56553066      10.23835878       3.31639086       5.59224235       1.48578547 
O       1.62213509       9.11681774       1.41397598      -1.21647494       2.78961968      -1.79360464 
O       2.38940395       7.02889060       1.94639011      -1.79930209       1.17314927      -0.96810464 
O       0.44613392       0.67857608       6.81388177       3.90801499       0.81438368       1.07899788 
O       1.09389917       1.13404406       3.96169700       1.53008362      -0.63990672       1.64773399 
O       3.67815121       3.38121539       1.01061052       0.00907034      -1.15679264       1.15482049 
O       0.98758613       1.54900964       9.53390921       1.01514135       0.33207098      -1.37315553 
O       3.31722745       3.85804164       3.48917612       0.25666715      -0.93588732       0.75987697 
O       6.06517598       4.17252939       0.99573491       0.97493168      -2.51615456       0.24690459 
O       3.67944337       1.36164362       3.47376119       0.73793199       2.90615375       2.26243660 
O       0.66589994       3.41203437       4.67278508      -1.52808460       1.02984720      -1.74346762 
O       0.97629258       1.45878974       1.65085204      -2.48733964      -0.41095592      -2.60098797 
O       0.94857484       6.07108572       3.64698768      -0.76647501       0.33096536      -0.34911434 
O       3.73147451       0.78795739       0.95019846      -1.07415164       0.17478503      -2.00916935 
O       1.85858560       3.56925522       6.93404034       0.14290224      -4.42546561      -1.83050081 
O       1.57852704       8.17665543       7.38036506      -0.82860507      -0.41301733      -1.90834177 
O       6.42072389       1.20069063       4.06278867      -0.77171952       0.23979515      -1.76099257 
O       7.35238179       9.43935170       9.85965451      -1.98780389       1.21133781      -0.87232967 
O       8.79759550       1.34553185       6.16391212      -0.70494427       1.11569546       2.45482232 
O       4.32998144       3.64048116       9.15474348      -3.90037860       1.64810226      -1.17357466 
O       1.77224060       9.57707412       9.20498606      -2.38658474      -0.64958393       5.44463529 
O       1.22229318       3.94871599       0.99787891       0.64300362       0.86270729       3.46328546 
O       3.83832060       8.57347962       5.71362449      -0.49813615      -1.91651627       0.55381527 
O       9.68404674       8.41146871       9.66037042       2.31389572       1.42746653      -3.23949222 
O       1.57427923       6.20899130       9.87117874      -4.50671972      -2.29144752       1.10629579 
O       0.53696996       8.48866813       4.74578211       2.70647774      -0.04170577      -1.96135944 
O       3.55311937       6.21873544       3.91429318      -0.92762951       3.17188127      -0.06174165 
O       4.54411790       8.41698251       0.78463207      -0.48793627       0.10447406       1.67022034 
O       3.56433129       9.53653277       3.15196720       1.29732915      -4.73614438       1.37208860 
O       1.34377928       3.84145596       9.11971563      -1.93883592      -1.99390380       1.72895963 
O       8.86695271       3.96382907       1.01337066      -2.15901299      -0.73756956       1.86258241 
O       6.24865883       0.87633848       6.56562236       1.72754442       1.09113242       0.84182586 
O       6.35807625       3.90783961       8.71760171       4.60555479       0.46672394       0.55501090 
O       3.69197183       0.46534766       6.08891730      -2.72169505       1.82937623       0.58972060 
O       4.67817130       3.05778657       5.67545164      -2.80402436       0.43935047      -0.67692602 
O       8.98407053       3.36576152       9.07876829       2.09763293      -0.22937784      -2.25803172 
O       8.86854075       6.64239895       6.10179177      -0.58059308      -0.18430646       1.57781849 
O       8.95883485       4.15541946       6.29794029       0.92301795      -2.62981200      -0.17209418 
O       6.16909896       1.46534943       8.91994444       4.67452649      -3.29833833       4.44501461 
O       6.07427216       1.02861751       1.33721122       1.55719544       0.58739908       1.91814303 
O       8.59729410       1.54292522       1.69808161       0.33861208       0.42620346      -1.25304134 
O       6.70609949       8.51993716       2.05379310       1.29650788       2.46345702      -0.63854572 
O       9.36431302       9.24352596       6.79648800      -2.32220219       0.00073120       0.89678544 
O       0.66513800       5.77975329       6.51948871       0.77725802       1.68090799      -0.28703059 
O       5.98140766       6.56475586       5.77802030       0.72128267       3.24623729      -0.12918899 
O       9.61163634       5.69976127       8.65850086      -0.56517536       1.61920986       0.32631495 
O       6.45096817       4.42522595       6.46209102       1.00163151      -2.66562530      -3.19910171 
O       6.83907287       8.65695175       7.29351067       0.35899789       0.48590359      -1.75822543 
O       6.10292662       6.31011238       8.33322790       1.11380953      -0.19249582       1.45962015 
O       3.30216146       6.80194539       8.57185496       4.22420648      -1.12013074      -1.67345655 
O       6.85376103       6.38708919       0.78719064       1.47436031       0.85680845      -2.73875764 
O       9.72119432       6.77031046       0.80096248       3.18742413      -2.63056687       3.51324762 
O       9.13306924       0.91278368       3.91090317      -3.73789333       4.80189674      -4.71064284 
O       8.68498149       8.97776957       4.03309721      -1.57288863       0.75549285      -0.88413969 
O       9.15768679       9.55308235       1.31842345       1.86177729      -0.17694428       1.91939554 
O       6.28956367       3.92182204       3.51802170      -0.98315990      -1.82693100       1.45977664 
O       5.76727758       6.16289240       3.02000076      -0.08728698       0.34422757       1.90572248 
O       5.98086781       8.94660133       4.24662046       0.03615448      -0.42844533       0.09378997 
O       9.38285494       0.69517076       9.08270170      -1.91631666       1.77576368       0.48312530 
O       8.61954210       6.25178854       3.54302525       0.38875132       2.39465977       1.47553888 
O       8.71067141       3.81117075       3.54000355       1.20262435      -1.34009587       2.07781845 
O       3.96150788       5.96379325       0.69148174      -0.23571866       0.92048927      -0.63048040 
O       4.31296947       9.12558183       9.02507313      -0.19172607      -0.06939569      -3.05662603 
O       3.73846981       1.21682019       8.48985060      -1.64413388       0.53400844       0.73049738 
O       3.24291847       5.56571793       6.39439993       2.00678386       1.65500134      -1.54207643 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04133865142591401 -0.000814597999406783 0.022954748073677547 -0.000814597999406783 -0.039396189184487694 -0.01043725915913702 0.022954748073677547 -0.01043725915913702 -0.03392288792284442" pbc="T T T" energy=-925.07365193 free_energy=-925.07429138 config_type=crystal 
Hf       0.26932013      10.44191318      10.43590977      -4.49529809       0.03292824      -0.07021663 
Hf       5.09893514       2.50938689       2.55846196      -0.23175977       6.36942131       0.78700416 
Hf       0.10748903       2.37908867       7.80440839      -0.81770413       0.32909531       0.61878804 
Hf       9.84499524      10.27566398       5.15911046       3.04953327      -1.00436614      -1.06765363 
Hf       7.83938643       5.10396164       7.64219558       1.58551026      -3.83559289       3.37783151 
Hf       7.72096211       7.75955559       5.12920915      -2.47355887       3.98575660      -1.28974546 
Hf       7.90378883       2.41635138      10.38195693      -1.23270917       1.53589704      -1.34242962 
Hf       7.35885566       0.02219881       2.69515116       4.44388218       4.74196340      -1.21112564 
Hf       2.52682798       2.70580743       4.89815973      -1.77831817      -2.80023967       0.92484500 
Hf       5.17300863       2.56669279       7.79746218       1.95725111      -2.98124003      -2.68980658 
Hf       4.80518261      10.45587719       4.59314546      -3.43339028      -3.71927138       6.06947225 
Hf       2.89542117       2.54956056       9.84744108      -5.57130194      -3.94514290      -0.37296245 
Hf       2.46782279       0.40714052       2.42203368      -2.32703306      -1.97108082      -1.48768932 
Hf      10.22559337       2.38752673       3.04401975       1.23307264       0.98746550      -6.41008936 
Hf       2.37555455      10.26100136       7.62816909       2.00461909      -1.34997918       0.87249574 
Hf       7.82819439       0.07905278       7.73262700      -3.26179219       0.14601904       3.53968669 
Hf       2.06395285       5.24274146       7.94667419      -0.09438900      -0.11806286      -1.98226967 
Hf       4.85194727       5.11671554       5.04404181       2.38131186      -0.76215458      -3.23064117 
Hf       9.96920035       5.19482699       4.89264488       4.42424813      -1.36009681      -4.09887280 
Hf       2.41432501       7.32220156       5.32500307      -6.47448424       1.29162393       1.45965302 
Hf       5.24454510       5.39660088       9.83044492       4.21235127      -4.19019143       1.31209101 
Hf       4.82061209       7.85172932       2.73988328       1.18869255      -0.96381636       1.79418315 
Hf       5.04545841       7.58150376       7.34941787       0.99806917       5.25623894      -2.45697600 
Hf       8.16286307       7.98020339       0.34066382       2.49733942       3.88647433       0.79744078 
Hf       7.39594504       5.16557428       2.53257005      -0.06788013      -2.12565746      -3.35386612 
Hf       2.74240239       5.12328675       1.90668930      -3.67120098      -3.24618264       3.39075568 
Hf       0.42691515       7.83742140       2.26829368      -1.96872276       1.16192708       4.18588724 
Hf      10.38875378       4.88782561       0.05335543      -2.51180113      -3.10400649       1.28069896 
Hf       7.75346635       2.94491781       5.29583545      -0.57758890      -2.29212567      -2.63161733 
Hf      10.12301613       7.64662404       7.82162340       2.35031706      -2.03218417      -2.42369383 
Hf       5.16950643      10.16764317      10.35363696      -0.06085970       0.28489065      -2.33495905 
Hf       2.77458303       7.59960453      10.32301160      -0.25123767       3.84986652      -0.10826937 
O       1.68217298       9.38411162       1.42187712      -1.93126266      -2.02180660       0.42522000 
O       2.16596680       7.11644852       1.89877047       1.89342662      -1.25797923      -2.28988559 
O       0.62349602       0.46697693       7.05379147      -1.31995958       0.19778644      -2.04259795 
O       1.47906580       1.04651199       4.15084081      -2.02390004      -0.08625849      -0.94426280 
O       3.20905969       3.30000259       0.99751688       3.37439443       1.28924435       1.96122484 
O       1.07059597       1.56432001       9.28379079       1.33830505      -1.85280934       1.21221062 
O       3.24054129       3.57752802       3.22568357       0.14245479       3.19452552       2.19146549 
O       6.15985323       3.89397818       1.15808346      -0.68836882       1.49886233       0.25594305 
O       3.86787422       1.32675067       3.53577123      -1.95054405      -0.48342461      -0.09818935 
O       0.53714223       3.28926898       4.52698850       1.02201240       1.53571762       1.65662351 
O       0.61692273       1.11389611       1.42285247       1.67161240       2.35635313       3.89140553 
O       0.72953485       5.71434195       3.42966541       1.80166328       0.77776830       0.66824514 
O       3.71304448       0.67375786       0.83071496      -1.40823969       1.26537782       0.27435903 
O       1.77655246       2.98295586       6.82465296       0.22284824       1.47731160       0.01117628 
O       1.55572915       7.90368008       7.10730441      -1.74597142       2.48601391       4.35345169 
O       6.14675237       1.13977190       3.92246320       3.54259400       1.48216687       0.96024617 
O       7.07517287       9.48306117       9.99347785       0.80071592      -4.05954276      -0.17522153 
O       8.47273732       1.33239195       6.24083325       1.82227152      -1.58980660      -0.26826046 
O       4.13479853       3.77761884       9.04972804       0.09968482       3.34397352      -1.30501076 
O       1.64670460       9.57950113       9.62266918       4.40965243      -3.03905966      -3.58639487 
O       0.98526389       3.68591640       1.34241595      -0.70591324       2.53987570       0.78469601 
O       3.67092054       8.45889964       6.10619061       2.60831033       0.16512845       1.15086004 
O       9.95128923       8.49439429       9.43587776      -1.91769871       0.39618908       2.35064076 
O       1.51912309       5.98597783      10.01555547       2.70991921       1.77775413      -1.92935449 
O       0.66509645       8.61949647       4.58634462      -0.20153185       0.48809833      -0.29898946 
O       3.45511785       6.71046138       3.99919562       2.27329567      -2.97782210      -3.16077014 
O       4.34339189       8.41751681       0.92660241       0.50004355       0.58831315      -1.78539214 
O       3.44343548       9.04002828       3.43469484       0.05155022       4.12817319       0.12265638 
O       1.18181588       3.76538260       9.03415737       1.08469215       2.42474461      -0.09506832 
O       8.81442233       4.00255339       1.03824767      -0.51582211       2.20774151       0.45944555 
O       6.10416802       0.94819931       7.09002566       0.07761541       0.87981414      -0.68290359 
O       6.70598875       3.92608764       9.04700536      -0.62393045       0.02194502      -1.15354872 
O       3.34623818       0.37759496       6.03404082       0.31163443       0.72277333      -0.89936798 
O       4.23976635       2.79372162       5.78129915       2.34352533       2.01966671       2.07843278 
O       9.13003059       3.44095855       8.90769187      -0.03700008      -0.47299292      -0.14194826 
O       8.94173538       6.48348373       5.86882128      -1.96797036       0.90637813       4.09070493 
O       9.19773016       3.84069842       6.37419891      -1.30890281       1.00951108       0.23849098 
O       6.51094955       1.06092154       9.61663761      -1.62568462       2.97501569      -2.12051700 
O       6.00827910       1.42046167       1.53241422       2.00775315      -6.08576686      -3.15165157 
O       8.33092889       1.69681562       1.58627653       1.04566315      -1.65695585       0.79252741 
O       6.73046208       8.85769808       2.25157403      -2.87588028      -4.31474147      -3.55058315 
O       9.24155496       9.23331942       7.05337658      -0.71786251      -0.04147977      -3.18606621 
O       0.82720355       5.88331184       6.45264454       0.15847428      -1.93510704       0.36684355 
O       6.03277870       6.81407038       5.55652358      -0.93644970      -4.08848577       1.42201930 
O       9.53220950       5.74054397       8.77710875      -2.02252383       3.11173199      -2.39782350 
O       6.47151364       3.80271009       6.40529943      -0.53128884       2.46796281       2.07299113 
O       6.68219783       8.81842010       7.02680301       1.30781808      -0.39070145       0.07250989 
O       6.12570160       6.11833025       8.25724705       2.15129557       1.30407960      -1.16909277 
O       3.71406211       6.68980257       8.38744051      -2.89490202      -3.03808296       4.48069397 
O       7.10816212       6.48508537       0.74988816      -2.47406938      -2.65648373       0.37010528 
O      10.02866020       6.71613647       1.05868135      -0.86579304      -1.16029330      -3.34968689 
O       9.06937226       0.97622716       3.51012171       0.46292324      -1.61080389       5.10881176 
O       8.60981335       9.13176463       3.90836198      -0.64798242       0.13946911       3.66791416 
O       9.19648897       9.24805186       1.55609002       1.20435879      -0.23439600      -1.13353969 
O       6.17285099       3.84328535       3.91355479       1.60475816      -0.97056076       0.17098865 
O       5.22532456       5.83899648       3.17472898       3.21782132       0.62107946      -2.58879708 
O       5.88215920       8.76193559       4.42763977       0.14016084       1.18211085      -0.97485897 
O       9.04407933       0.92964923       9.29574141       0.33313268      -0.98421087      -1.25587723 
O       8.95134220       6.46343059       3.03868555      -3.79595280      -0.27297437       3.05334051 
O       8.79588763       3.82119277       3.72910266      -1.74863148       0.51401958       0.40232713 
O       3.93059847       5.96311693       0.60301503      -0.16673336       0.85201766       0.00009687 
O       4.09086865       9.15583249       8.76386085       1.39773052      -1.05604387       0.77283340 
O       3.70305125       1.14667980       8.61885217       1.26449673       1.66106229      -0.35935341 
O       3.41595501       5.46914714       6.21163601      -1.91630364       0.45536346       2.34469001 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.021311081866212188 0.0024242071314588493 -0.0015478700711296762 0.0024242071314588493 -0.018965210118237673 0.00432347318645882 -0.0015478700711296762 0.00432347318645882 -0.0290545160849722" pbc="T T T" energy=-927.92115616 free_energy=-927.92129975 config_type=crystal 
Hf       9.96407621       0.09103658       0.13608101       0.54469091      -2.39961142       1.68930566 
Hf       4.95996326       2.49318616       2.59999519      -1.88242220      -0.72355074       0.05200966 
Hf      10.00415034       2.62238826       7.38482073       1.31328545      -0.47377976       2.18437311 
Hf      10.29739506      10.37536343       5.07360809      -0.53271071       0.80489620      -0.75799909 
Hf       7.82311965       5.03492418       7.80574942      -1.50634364       1.72156770      -1.87402594 
Hf       7.89448103       7.35276276       5.11391678       1.57559505       3.50504321       3.90807159 
Hf       7.29150315       2.30611173       0.20215361      -2.44158657       1.78508630      -3.63447992 
Hf       7.23326806       0.03958976       2.92581396       4.81785774      -0.60998409      -3.70457806 
Hf       1.99941669       2.77201410       5.19090426       3.55430871      -3.59764984      -1.03506599 
Hf       5.48038983       2.65203042       7.78548790      -0.10855492      -3.50864002       1.02522732 
Hf       5.37989390      10.10947600       5.35112849      -4.60653729       3.89944663       0.29613464 
Hf       2.35680424       2.56264091      10.20322218       2.55698667       0.15818134      -0.84266639 
Hf       2.48395015       0.27345208       2.24386767      -1.79986411      -2.14132926       0.64593847 
Hf      10.43081912       2.59366837       2.15334655      -1.16269282       0.37652138       2.91586395 
Hf       2.44359448       0.23661106       7.57871776      -0.78936975      -1.04541434       0.98867833 
Hf       7.58634029      10.15360977       7.79213132       0.21094182       0.12933329       0.46777643 
Hf       2.86471700       4.88243656       7.92699867      -3.86653533       3.75538123      -3.37423855 
Hf       5.17836753       4.88244368       5.20791445      -1.91326164       0.98040278      -0.40801292 
Hf       0.29161638       5.36972661       4.92425897      -1.39610375       1.31550983      -0.29551089 
Hf       2.47673360       7.88365531       4.72443159       1.15870658       3.17411317       0.79372275 
Hf       5.13290340       5.14166278      10.21972832       0.13887420       0.84252348       1.17365488 
Hf       5.15884262       7.45096052       2.85778817      -1.74571600       0.90635757      -0.18550945 
Hf       4.95410115       7.73984543       7.38941246       1.76693963       0.84280312       1.63613810 
Hf       7.48030691       7.49451226       0.04186449       1.78984241       0.05694017      -0.19570253 
Hf       7.94805175       4.95996975       2.59095135       0.99150813      -0.20935773      -3.05023550 
Hf       2.59957152       5.12900244       2.32526508      -1.20434955       0.36735101      -0.36943739 
Hf       0.15471869       7.62826758       2.37310085      -0.39208781       2.32384412       0.00811466 
Hf      10.44191988       5.31084503      10.08389933      -1.13352762      -1.36058865       0.47264901 
Hf       7.66355667       2.17331407       5.18852613       1.87572141       1.81274524       0.87632990 
Hf      10.36584568       7.69834402       7.97247368      -0.83612522       1.52616880      -3.89974624 
Hf       5.12422609      10.13563680      10.32482205      -3.04005492       0.95687990       1.34466803 
Hf       2.36513429       8.00214274      10.04350231      -2.40204442      -4.17408455       2.82926332 
O       0.56121188       9.29880277       1.32435475      -1.12558018       0.94216780      -2.17835420 
O       1.26392040       6.49857389       1.17991909      -1.80474432      -0.95444932      -3.15436075 
O       1.09082295       1.26926172       6.33897418       2.03071874       2.58293851      -3.01378386 
O       0.55058649       1.15419694       3.62754159       2.76058633       1.35922940      -1.98896102 
O       3.46967738       4.45869309       0.70922708       1.84518389      -1.45684003      -1.25444278 
O       0.44268666       1.15341459       8.49747042       0.54783928       0.12107421       3.76860728 
O       3.78307728       4.08848602       3.63282085       0.58850364       0.19075156      -0.81213016 
O       5.89183938       3.42932013       1.05720572      -0.31305986       1.36724856      -2.42135633 
O       3.18867896       1.34619415       3.73154056       1.03874816       1.65187010       0.10775623 
O       1.20825267       3.83047891       3.72852954      -0.69032391       1.18060002       0.31087411 
O       1.16106758       1.48028585       0.93031477       0.34413854      -2.79392283      -0.72574430 
O       1.55356746       6.58140392       3.63909565      -0.50300715      -3.47752236      -1.44085855 
O       4.05251369       1.44303193       1.01660147      -3.41602516       0.31125372       1.71314938 
O       1.18264093       3.91140838       6.62221802      -1.35465059       1.12217786      -2.57429118 
O       0.46738543       9.38591630       6.63361509       2.56082992      -2.03368052       1.37145351 
O       6.12321274       1.39534436       3.98116476      -0.98322736      -0.34914703       0.27168346 
O       5.85251871       9.37244924       8.61626315      -0.45108441      -1.64687965       0.77228832 
O       9.19764883       1.06700659       6.36277422      -3.37881850      -0.16841418       0.64715410 
O       4.03896666       3.74579249       8.75243458       1.90688476      -3.15236035       2.69789229 
O       2.97074233       9.07564340       8.73399931       2.14732971      -0.07203881      -4.03203411 
O       1.43385443       3.78134732       1.11128102      -3.77208395       0.50373475       1.13680516 
O       3.73044035       9.23519287       5.93514590      -1.80939276      -2.17636198       3.85297601 
O       0.45058247       8.70928631       9.45921257       0.61124494       0.32982117       0.24290734 
O       1.42910048       6.45171693       8.50418846      -3.32175868      -0.00505056       0.97049006 
O       1.54044096       8.93816379       3.27195182       1.17455411       1.09846708       3.11827438 
O       4.19269556       6.76045580       4.73385713       1.66049299      -0.78559808      -1.88149927 
O       2.88219158       9.22556470       0.96516115       3.70957470       1.66077275      -0.01742183 
O       4.26149952       9.28864281       3.74147256      -0.19211838      -1.12729402      -3.50256876 
O       1.37926389       3.93218818       8.89533108      -0.19007442      -1.62155153       4.04201814 
O       8.71947223       4.41682536       0.75731508       1.22373802      -1.37791330      -1.06059222 
O       6.41080832       1.19480004       6.50214234       1.25831292      -0.96575282       0.21962476 
O       6.47858324       4.13040221       9.03606337      -0.32371195      -0.46218196       0.22155938 
O       3.95169289       1.17596413       6.91195865       1.20588100       1.58381748      -1.62635331 
O       3.70896224       3.64491873       5.99713804       0.37711691       0.79166071       1.22511422 
O       9.45311266       4.34195121       8.54209578       1.71666292      -1.71649650       0.56777101 
O       9.05599028       5.99239267       6.07171683       0.88587253       1.42073742      -0.64855363 
O       8.71915898       3.69024020       6.16852667       0.42099509      -1.59534968      -0.19431430 
O       7.80349343       2.11192855       8.72170833       2.20771147      -0.73128041      -2.27184139 
O       6.29647032       0.89565344       1.28790736       0.74050246      -1.08832796       3.15530158 
O       8.81357729       1.75424899       1.11183542       4.47889334       0.49763929       0.04108125 
O       6.39342124       8.80792669       0.86828338      -2.09349545       1.37229511       2.47315763 
O       8.52191360       8.64705471       6.89551165       1.89721582      -0.72932978       1.39264270 
O       1.25172612       6.84080461       5.89724308      -0.57551091      -0.58117302       1.94745712 
O       6.50719417       6.48885215       6.72126993       1.84895913       0.12331717      -2.51799129 
O       8.89649963       6.50590316       9.13031516       1.72366882       1.39804756      -0.88302127 
O       6.38255942       3.86142966       6.45620902      -0.38615612      -0.35501147      -0.53823704 
O       6.40613150       8.93165005       6.46744731      -1.68542258      -0.79679367       0.05995402 
O       6.35196650       6.64899956       9.18519343      -1.52641351      -0.73647592      -0.01388013 
O       3.56019683       6.38090973       9.24313306       2.11686591       0.32504701       2.34444027 
O       5.94053150       6.26328200       1.46878339       2.08430091      -1.03297720      -2.04975222 
O       8.77733503       6.69641145       1.28299243      -0.12318301       2.29557776      -0.58175948 
O       8.80869344       1.21364255       3.96454821      -3.57318041      -1.66215284      -0.03243894 
O       9.36036297       8.83230488       4.34202615      -1.33088560      -2.96052170      -0.74406438 
O       8.93516010      10.17644116       1.93703615      -1.88339549      -1.84032037      -0.42467909 
O       6.17590765       3.87948542       3.18252829       2.69694259       1.37058344       4.25122283 
O       6.95818995       6.14131424       3.88794253      -2.15993804       1.68585675       0.85765665 
O       6.57224998       9.12637474       4.24917672       3.26878898      -2.78810495      -4.05677439 
O       8.56118173       9.64763389       9.53360642      -1.46787999      -0.33805580      -0.41853692 
O       9.71322850       6.00051130       3.12918605      -0.49596326      -1.23453637       4.76531746 
O       9.15508071       3.57859044       3.30460228      -1.43870696       0.22272738       1.05928862 
O       3.55347815       6.79514110       1.76759643       2.15751661       1.09431806       2.31218507 
O       3.54538192       0.75572757       9.21963790      -3.37534109       2.47233709       0.87790524 
O       5.86595145       1.13576136       9.51383117       1.75559730       4.07939850      -2.70566703 
O       4.35270890       5.92951990       7.13219408      -0.68157657      -1.26562019      -2.67528386 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.024760460891129238 -0.0005389835732148015 -0.012771134782745172 -0.0005389835732148015 -0.02475521108290535 0.009124476315663887 -0.012771134782745172 0.009124476315663887 -0.03457330929117001" pbc="T T T" energy=-926.08069439 free_energy=-926.08079863 config_type=crystal 
Hf       9.93389995       0.08105580       0.11732055       1.10155600      -1.73842521       1.27389817 
Hf       4.89899629       2.49235462       2.54587751      -0.10400849       1.08303007       1.65466299 
Hf       9.99370330       2.65117229       7.41992238      -0.65251305      -0.72311204       2.09430961 
Hf      10.31186353      10.36251910       5.06845139      -1.61333406      -1.49348049      -0.91012173 
Hf       7.84978920       4.99628883       7.79660698       0.02734037       1.33060727      -0.84233327 
Hf       7.87105265       7.40183406       5.17116898       2.51754812       2.22033519       3.38043189 
Hf       7.30223529       2.25399665       0.21595099      -3.07182769       4.55602108      -5.84706959 
Hf       7.19039767       0.03140634       2.84753349       7.66408816      -0.71806118      -0.73734122 
Hf       2.05273999       2.75874819       5.24101831       5.41344334       1.78245501      -3.44632875 
Hf       5.47803692       2.56611663       7.77583911       1.12961801      -1.05658734       0.80566998 
Hf       5.41013556      10.09674241       5.39098148      -3.64722906       2.28881414      -0.76378272 
Hf       2.28921855       2.63249683      10.26612760       1.55640654      -0.17044434      -2.19317698 
Hf       2.50623782       0.26756160       2.23852342      -2.97707398      -2.25747323       0.66531709 
Hf      10.39199349       2.59141887       2.12220155       0.32632837       2.18148530       4.37131065 
Hf       2.41918876       0.23191718       7.61568417      -0.44330626       0.40072095      -0.55712529 
Hf       7.56874054      10.18668453       7.82840654       1.37650674       1.13637721      -0.19785692 
Hf       2.83255039       4.87709147       7.87070559      -2.78829062       3.20513779      -0.97753464 
Hf       5.18996858       4.97265081       5.21647434      -1.78814744       0.73331907      -0.64414651 
Hf       0.26463420       5.32173877       4.92369443      -1.93923347       0.55580350      -1.30941449 
Hf       2.53145979       7.90349096       4.74993007       0.22265005      -1.11723007       2.77370722 
Hf       5.13733615       5.15017410      10.22480233       1.96080086       0.05983246       0.65915013 
Hf       5.16930139       7.44797252       2.89687241      -1.32344123       0.96919039      -1.92827245 
Hf       5.00183309       7.71281501       7.39859760       1.76620484       0.89566490       1.68616040 
Hf       7.50703214       7.52244404       0.01027582       1.48129688       1.68138308      -0.74819192 
Hf       7.92329845       4.99744451       2.54766524       1.62940208      -0.29072000      -1.15687270 
Hf       2.61021115       5.07991199       2.32834413      -2.52660805       1.67081064      -0.77443079 
Hf       0.11475445       7.63781851       2.36929325      -0.80763179       1.04357127      -0.39173409 
Hf       0.01036499       5.27797886      10.03762073      -0.56244605       1.32291711       2.16973354 
Hf       7.61667616       2.12321760       5.19366304       3.93564893       3.25918208       0.03150123 
Hf      10.33165616       7.74182993       7.96415787      -0.98836291      -0.47072035      -3.88032802 
Hf       5.08462513      10.10388266      10.31537860      -1.80449401       3.14391557      -0.39632810 
Hf       2.40997599       8.02735802      10.06722929      -2.82591467      -3.59762597       1.58321000 
O       0.47131381       9.30253314       1.15980306       2.23071393      -1.79379299       1.33413113 
O       1.39856230       6.39731634       1.20901796      -4.02883787       1.18541049      -5.11862453 
O       1.26864369       1.55598484       6.33487823      -2.23724764      -3.20796614       0.64896553 
O       0.44048656       1.04088264       3.59253581       3.59693511       1.30254557      -2.27499066 
O       3.50916552       4.42889519       0.74891700       0.74400296      -2.40750599      -1.92165629 
O       0.53153214       1.31014039       8.60338972       0.59805718      -0.39296231       1.68725296 
O       3.82647475       4.26936456       3.64136650       1.61054922      -0.68477387       0.14178976 
O       5.74108424       3.51974664       0.94350417       1.50804579      -1.46525417      -1.75989035 
O       3.24213979       1.44656448       3.52763271       0.85742713       2.66991268       2.32272055 
O       1.18101386       3.71226276       3.68937245       0.97780183       0.96757529       0.87601146 
O       1.11482038       1.31084853       0.71391290       0.49705082       0.09786825       1.99340082 
O       1.50102912       6.54259358       3.32311552       1.69793832      -1.65992266       5.26164736 
O       3.95385824       1.36731871       1.14498386      -1.41195801      -0.30849618      -0.99698005 
O       1.28961220       4.04982952       6.86879782      -2.03724864      -0.75622728      -4.80295610 
O       0.58921284       9.32467543       6.68779682       2.13559864       0.62963714      -0.39045005 
O       6.17282462       1.45903014       4.03509458      -3.22790435      -1.97681746      -1.00122227 
O       5.93130701       9.32126418       8.69268922      -1.09370131      -1.51992635       0.13941675 
O       9.11722750       0.98481384       6.26007076      -0.85992202      -0.21403446       1.55811589 
O       4.19590712       3.77694879       8.56945202      -1.10350206      -0.39557210       3.74759157 
O       3.09061705       9.19308630       8.73846409       1.46154733      -3.70876380      -1.00828359 
O       1.30730981       3.79282162       0.96876916      -2.84410417      -0.12158106       3.62654069 
O       3.74857231       9.18922710       6.03444010      -0.26228971      -2.71988016       2.47186948 
O       0.39842573       8.79446569       9.37176056       1.93364623       1.48015197       1.34907187 
O       1.33979626       6.49529107       8.68994917      -0.63370838       0.24348139      -0.19155652 
O       1.63574031       8.85668453       3.51969399      -2.40539039       4.46298377      -2.44605404 
O       4.27380798       6.93785245       4.59485511       1.59228383      -2.48151983      -0.07504106 
O       2.94099958       9.30129069       1.00860854       3.45938300      -0.08522986      -1.59072733 
O       4.22785153       9.30890025       3.70207590       0.58316836       0.22175174      -1.84362344 
O       1.19950638       4.09380536       9.09628452       5.26196818      -3.19969392       0.93198487 
O       8.99410594       4.46151143       0.74145722      -0.82933416      -0.67399911       1.73451489 
O       6.47513568       1.36580927       6.62037126       0.46490664      -4.82083503      -2.21478058 
O       6.72757644       4.06677305       9.10499073      -2.73175961      -1.00798266       1.71485225 
O       3.99358710       1.02758847       6.61105121       0.25264888       0.93103986       0.13869589 
O       3.70453713       3.66210203       6.02747485       0.02171162       0.64675724       0.58849535 
O       9.51349614       4.21876498       8.67621103      -1.46033434      -0.36806345      -1.72805802 
O       9.09829937       5.83605401       6.13765881       0.08769270       2.32456708      -1.34834302 
O       8.52661250       3.57691731       6.32422155       1.67030808      -0.78407183      -1.01315909 
O       7.93525713       2.24578445       8.31216069       2.11425546      -2.41778816       1.91619372 
O       6.42523535       0.95664564       1.40317078      -3.19576234       0.78553265      -1.74853566 
O       8.82273092       1.93876768       1.23888378       2.15247789      -1.59783743      -0.58573654 
O       6.33586269       8.82994150       0.80317556      -2.77435525       1.69456102       2.24905718 
O       8.56102338       8.43267124       6.92612559       3.08818705       0.32628195       1.39609859 
O       1.17329064       6.78576956       5.84971345       1.04784226       0.39640229       0.80143251 
O       6.50501710       6.49476053       6.80634360       1.63024794       0.53411223      -2.81244148 
O       8.91069849       6.61014641       9.13276310       2.49278245       0.07343918      -1.03205567 
O       6.24691401       4.01178196       6.49654732       0.11810722      -1.36113956       0.23883044 
O       6.63516429       8.89090649       6.47135016      -4.82803099       1.11768464      -1.87356348 
O       6.58446037       6.49578664       9.21456577      -3.81167451      -1.33681912      -0.52793573 
O       3.70885978       6.35977398       9.32630167       0.46377769       1.34817819       0.61588344 
O       6.07452188       6.15815142       1.65687869       1.51921412      -0.53742158      -2.84617180 
O       8.73880152       7.01182902       1.28432572       2.27117865      -0.63561921       2.69430268 
O       8.70786793       1.11104166       3.91570622      -2.89401874      -1.57237157      -0.39083915 
O       9.38487816       8.77366674       4.11995736      -0.15997972      -1.58718889       1.11739726 
O       8.87749741       9.96765826       1.78832076      -2.83370189       0.66612035      -0.43623562 
O       6.25457412       3.79602899       3.14069792       2.55884032       0.83589072       2.80821753 
O       6.87907856       6.13552633       3.98399702      -1.13119778       0.86313169       0.89811502 
O       6.66885133       9.13877416       4.08169398      -0.13705937      -3.40273191       0.15632363 
O       8.56761447       9.74740441       9.47193162      -2.32769469      -0.64993106      -1.09100718 
O       9.72472018       5.85734760       3.23927529      -1.33882246       2.52197243       1.26696671 
O       9.28616630       3.70404417       3.55992408      -2.44410727      -1.82524690      -0.93280727 
O       3.56576683       6.79945014       1.70475402       3.42326909       1.22743739       2.15017786 
O       3.46384834       0.78347576       9.18628160      -0.75191047       3.74265466       0.98997744 
O       6.05988992       1.20635410       9.29944069      -0.42406224      -0.42242659       1.22093183 
O       4.31989904       5.97429943       7.04232355      -2.23229426      -1.00022165      -2.23412079 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011260862944680412 0.004545089602146316 -0.004668879243953078 0.004545089602146316 -0.009755470724691778 0.01110221628444324 -0.004668879243953078 0.01110221628444324 -0.013509387310365627" pbc="T T T" energy=-932.79255838 free_energy=-932.79274072 config_type=crystal 
Hf       0.19384187       0.14843678       0.51589606      -0.14074698       0.42247197      -4.11733944 
Hf       5.07206474       2.64738834       2.40354943       0.07025063      -0.11577166      -2.67596387 
Hf      10.11029478       2.70846354       7.40869382       2.31656594       0.39470337       2.07863038 
Hf      10.45177444       0.21941007       5.23840626      -0.52444058      -1.67886571       0.36770804 
Hf       7.84362042       4.92471541       7.31186996      -2.10512056       2.51944858       2.41004196 
Hf       7.39136870       7.37826104       4.95673413       5.53502909       3.35358077      -2.28913288 
Hf       8.02337688       2.18968342      10.32494356      -3.61575336       2.08229316       0.20995279 
Hf       7.57856108       0.02020971       2.66967444      -0.47605559       0.03395301       2.83662617 
Hf       2.64797435       2.75368569       5.15598253      -1.69205038      -2.75659177       2.72818259 
Hf       4.89855064       1.58302688       8.24136261       1.07205096      -0.06806125      -0.95242087 
Hf       5.04566700      10.37270816       5.28793650      -5.80087245       3.15893024       3.54639332 
Hf       2.62975468       2.74117837      10.45687880       0.32615635       0.96382334      -1.59018017 
Hf       2.78624834      10.10051338       2.80606243      -1.76784312      -0.39365394      -3.37151795 
Hf       0.21399339       2.65387655       2.48258212      -1.22257986       1.78288610      -0.16282216 
Hf       2.34116680      10.42146464       7.76062482      -0.51987846      -1.04233196      -0.88650584 
Hf       7.82747359      10.39828556       7.47946919      -0.57214801      -3.11583280      -0.60791226 
Hf       2.25712342       5.06467048       7.64416573       0.87300789      -2.00443101       2.92731431 
Hf       5.09036960       5.20132702       4.78872462      -0.51559228      -2.06145559       1.36805069 
Hf       0.06875519       4.96072866       4.89692984      -1.90047457       0.99075758      -0.10857152 
Hf       2.43715378       7.37488893       5.07836969      -1.82617007       3.08416246      -0.62550121 
Hf       4.88900400       5.13557720      10.46566078       0.91379751       0.66332048      -0.68601814 
Hf       5.07308415       7.34293803       2.48399767      -0.95788291       2.55005337      -5.13621466 
Hf       5.42580420       7.71177665       7.92767604      -2.57042055      -2.26785394       1.42283613 
Hf       8.10504171       7.93976827      10.21089411      -4.25336414      -6.04614781      -1.87181514 
Hf       7.97743142       4.94524590       2.42532886      -1.01517837      -0.07112968      -1.71316887 
Hf       2.30096916       5.54956659       2.07392944       0.60941672      -1.51698793      -3.53642670 
Hf       9.91678866       7.84478217       2.34116481       1.05252391      -0.67507879       0.53123617 
Hf      10.05790286       5.12622848      10.20297591       2.70146228       1.73749837      -1.20515720 
Hf       7.18469987       2.64146081       5.12505239       0.86990574      -1.98821180      -1.17406283 
Hf      10.13811718       7.87554976       7.60154925      -1.22660995      -0.73569781      -0.59368853 
Hf       5.44703363      10.04759188       0.24574627      -0.47002993       1.03666813       2.15476162 
Hf       2.42470476       7.77535913       9.98997670       1.10241436       0.03351458       1.45848153 
O       0.85723652       9.53877934       1.83542390       0.56050038      -1.81597828       2.67301412 
O       1.22308233       6.20883787       3.60584254      -0.69332357       2.81714776       1.42768095 
O       3.71250222       1.23027962       6.74430844      -1.57683503      -0.85907088       0.64706698 
O       0.99133868       1.52064937       3.83612082      -1.07125268      -2.68169365       1.60826703 
O       0.79001044       4.33288801       1.23966487       2.15899999      -1.04421090       0.74709021 
O       2.03912200       1.31706755       9.07339296       0.59452884       1.16165352       1.59978217 
O       4.14094094       3.35869464       4.12716627       2.10527170       1.37831386       0.35692286 
O       3.72817766       4.03768057       1.52545430      -1.10974084      -1.59127464       0.29092878 
O       3.41884923       0.95592002       4.09662527       0.79554587      -1.35165259       0.30940882 
O       1.40725061       3.84860019       3.88571637       1.14846827      -0.05917909      -1.29593125 
O       1.59027870       1.47264897       1.31437564      -2.00588329       0.59745237      -0.32927142 
O       3.51466938       6.88419538       1.21078025       1.12783889      -0.40696830      -0.23613237 
O       4.10532163       1.35051972       1.04814367       0.50607958       0.71494234       1.74398274 
O       8.37781632       1.05505837       4.44405077       0.99700463      -0.28401649      -1.78290755 
O       0.79941872       9.32902937       6.77861727       0.67135693       0.26748196       1.42314868 
O       6.00951087       1.24911146       3.43360583       0.25765495      -0.99301755       2.48473022 
O       6.37609089       8.49845654       9.59241433      -1.66142413       1.36511711      -0.37296136 
O       1.14947710       1.36874682       6.45937400      -0.50695079      -0.64493416      -0.04766938 
O       2.67111888       5.12522624      10.24565278       1.55780546      -0.38615813      -2.32117186 
O       1.46750159       9.41909688       9.52481272      -1.10596959       1.13310906       0.20617561 
O       9.11108028       3.92454398       0.88491240      -3.47022046      -2.75636235      -0.88128816 
O       3.71043996       9.24204216       6.57679796      -0.93367647      -1.75508074      -2.07452161 
O       9.15234495       9.01129301       9.07382343       2.16897156       2.53575235      -4.29096343 
O       1.04519388       7.14349580       0.72690491      -3.34137764      -2.11148665       3.54208730 
O       0.97542838       8.90808749       4.41763597       0.15249999       0.82415030      -1.26873154 
O       4.03155910       5.62443028       3.23311677      -1.28398649       2.09808819       0.51033156 
O       3.67304371       9.31890060       1.00406474      -0.42739414      -0.17135106       1.39392929 
O       3.53933298       8.37831775       3.52816649       0.46009553       0.59460677       1.44968245 
O       1.36173666       3.54716997       8.78840116      -0.68595562       1.45328960       0.35444640 
O       6.20247316       3.75049202       1.09089810       0.81981106       1.45114959      -1.21108660 
O       5.88354848       1.52049280       6.29953963       3.47577837      -0.11110781       0.08787076 
O       7.39911861       3.25930059       8.56377714       0.53746831      -0.16453742       0.00279800 
O       3.44654342       3.58068933       6.85240001      -0.23265188       2.54108783      -0.59067020 
O       1.03391299       3.78092082       6.29338980      -0.41642366       1.63048359      -0.24777758 
O       9.63686375       4.63207480       8.25494993       0.36054010      -1.60944117      -0.22959797 
O       9.01554951       3.65631841       5.77422672      -1.77876780       0.15560577       2.06558386 
O       6.15222201       4.22385804       6.17557158       2.31985996      -1.01777653      -0.68362785 
O       7.09735064       0.53075911       9.19409650      -1.36193159       1.70544440       0.56278091 
O       6.83995078       1.09797524       1.14086217      -1.24345460      -0.81675273      -1.34588260 
O       9.57728973       1.81457083       9.36878973       2.73443286      -1.50036023      -0.59373363 
O       6.13253697       9.15130931       2.06646631      -0.46603173       0.01512224      -0.15049151 
O       8.89322863       9.06024751       6.22923587      -1.01724851      -0.12706467       0.44533805 
O       1.06003317       6.88936076       8.75469811      -2.02406198      -1.09878618      -0.79615777 
O       8.38333828       6.61892881       8.52872040       0.69097170       0.85128333       1.05125540 
O       8.79263233       6.35827584       0.94114656       1.41729447       0.93819492       0.65665539 
O       8.85703766       6.47172160       5.92685887       2.11662046      -1.39808047       2.27882019 
O       5.98951771       9.42278151       7.30204397       2.52696132       3.33508196      -1.95997525 
O       5.74862545       5.79202962       8.69440086      -0.13706776      -1.30140252       1.17880599 
O       3.85353961       6.36981158       5.88574041       1.54465904      -1.08500216      -0.14731428 
O       6.05437141       6.86227508       0.74273933      -0.96042545      -2.52260060       1.40009463 
O       8.74919320       6.24579455       3.70426062       1.92830837       0.39643495      -1.15018638 
O       9.11342157       1.24325876       1.81497399       3.23270687       0.49327649      -1.27479434 
O       8.37872635       8.46182610       3.28652914       0.21064523       2.59902167       0.47972922 
O       8.82436176       9.14964927       0.93492210       3.11069354       3.12981683       4.05361216 
O       6.75978241       3.70280539       3.46213073      -0.63672042      -0.24075022       1.99262973 
O       6.42321349       6.18371742       3.27320494       0.02624178       0.69230969       3.97658245 
O       6.54766477       9.62143103       4.77825098       4.55043889      -4.96755998      -2.21074055 
O       9.04791666       1.16718204       6.60067670       0.66222489       1.12351191       1.58947710 
O       1.33354784       6.30553928       6.41491798      -1.86050068       0.94577791      -2.51986437 
O       9.39649858       4.04589287       3.40822404       1.60979367      -2.30626186      -0.33397020 
O       3.54335054       7.19266737       8.48765459       0.67113678      -0.15146439      -0.43752555 
O       4.20095224      10.31297065       9.26658634       0.08738973       1.48789253      -3.47642849 
O       4.51956744       2.93121819       9.56530655      -0.85626658       1.36576244      -0.18777617 
O       6.49474159       6.77913818       6.51184221      -1.31967836      -0.77611532      -0.87113948 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.029568686307721213 8.427394224026366e-05 0.006361638141312217 8.427394224026366e-05 -0.049985060111544986 0.006489461982542494 0.006361638141312217 0.006489461982542494 -0.046974687118090795" pbc="T T T" energy=-927.23301104 free_energy=-927.23323987 config_type=crystal 
Hf       0.20706728       0.25154695       0.47844977       2.85743954      -1.42308870      -3.48455274 
Hf       5.02634870       2.61790328       2.47667290       3.30103257       0.79580851      -0.29572659 
Hf      10.04625241       2.64221208       7.47834826       3.75341926       1.29841150       0.66249822 
Hf       0.00106598       0.22417983       5.04592604      -3.24678130      -4.80783856       5.66686240 
Hf       7.86953149       4.91513873       7.40930672      -3.84326663       0.73524793       0.53978352 
Hf       7.48726704       7.45483197       4.94327596       5.73935382      -4.57608516       2.23348899 
Hf       7.96356213       2.20437775      10.39740441      -1.94164097      -0.06342036      -2.98719572 
Hf       7.50395895       0.05748812       2.62743118       2.38488396       0.65191822       0.97696738 
Hf       2.56541707       2.71593976       5.20825356       1.66035163      -1.13202567       3.59757559 
Hf       4.92463754       1.48019416       8.33849229       4.85892167       1.96651489      -3.89474628 
Hf       4.93716997      10.38594874       5.29549362       1.23404826      -0.89331471       0.93156868 
Hf       2.72907421       2.80383449      10.42712654      -7.25040596      -1.31437753       0.33120075 
Hf       2.73986245      10.10011085       2.83381000      -2.87207635       0.57809739      -1.91962111 
Hf       0.16327994       2.59340798       2.53132091       0.24481399      -0.67747156       0.23593027 
Hf       2.34865987      10.33356352       7.85615610      -3.53450674       1.65528671      -1.21624378 
Hf       7.97660124       0.00356772       7.41948489      -0.29420006      -1.52007352       1.77701111 
Hf       2.14945700       5.03021198       7.79329265       1.80729046       1.22626231      -1.34206059 
Hf       5.02362037       5.13384714       4.69822904       1.44426529       1.51465780       4.65413524 
Hf       0.04054051       5.08177204       5.01848973       0.27894466       0.22171223      -0.19849858 
Hf       2.40979430       7.38930466       5.15311950       1.81728893       3.31406624       0.22471598 
Hf       4.94850675       5.07566407      10.34904157      -1.08869200      -0.14880013       4.02468309 
Hf       5.21291206       7.42960424       2.43603076      -1.35792969       0.56350852       1.51516787 
Hf       5.49775493       7.73427009       7.88976255      -1.41846984      -2.87147840      -2.71408606 
Hf       7.99179973       7.95010909      10.14575416       1.76550426      -1.32770001      -0.46437774 
Hf       8.17330216       5.01874040       2.41168460      -3.03106308      -3.30634903      -0.23421043 
Hf       2.28244409       5.65180860       1.93097036       0.71513474      -3.18882298       1.19770951 
Hf       9.95689336       7.93188513       2.40639498       3.20889079      -0.71506549       0.29652117 
Hf      10.05333656       5.08677070      10.21543194       4.51451636      -1.31610326      -1.28395701 
Hf       7.20392251       2.67074200       5.14982181       1.90884335      -0.55287875       1.46383820 
Hf      10.06905837       7.86745133       7.54521190       0.61309067      -0.56809372      -3.65754716 
Hf       5.39071553       9.97027848       0.22669308      -3.33948822       6.76590564      -0.26411662 
Hf       2.55343065       7.79294036       9.97437076      -2.81024115      -1.43553689       1.04609093 
O       0.92221843       9.13779965       1.92357609       1.82089729       3.41314474      -1.68093602 
O       1.42455291       6.26607051       3.96054761      -1.52309857      -1.64801978      -3.24552193 
O       3.75105950       0.94816571       6.92115237       0.54018448       1.61412429      -2.29384891 
O       1.03271366       1.07677867       3.87533641       3.13537593       2.53414617      -3.53634199 
O       0.76617064       4.09109650       1.27376846       0.13421504      -0.85372520      -0.63659336 
O       1.86053995       1.38427343       9.26994317       0.00766909      -1.88702310      -0.25540051 
O       4.36006308       3.47521097       4.24257548      -1.87347336      -3.41206795      -3.07516160 
O       3.67869786       3.74216584       1.34249089       0.36236170       3.25350577       3.76149283 
O       3.76674770       1.07266095       4.15580692      -2.68410353      -0.53796862      -0.94156839 
O       1.37671735       3.67830936       4.00826751       1.55768226      -0.35923258      -1.35704245 
O       1.42030562       1.49728923       1.41641942       2.01942713      -0.57239630      -0.57447618 
O       3.58203330       7.00414923       1.23568123      -0.87259004       0.20269173      -3.59182224 
O       4.49484691       1.53739760       1.09931491      -3.48702809      -3.18437970      -2.28286973 
O       8.48379601       1.27935281       4.02817496       1.55252674      -1.37113360       0.07542110 
O       0.75695106       9.52962027       6.73633916       0.09221128      -2.34306875       1.05897983 
O       5.98683009       0.78781034       3.50285095      -0.96040091       1.47524861       1.20447189 
O       6.04203867       8.39982140       9.78068305       1.20155972      -0.71768466      -2.51761164 
O       1.09319312       1.38802085       6.60130750       1.05565188       0.86271601      -1.59908193 
O       2.40150748       5.12991687      10.20227017       2.79056510       1.83262838      -0.40786548 
O       1.51309665       9.38627969       9.54806527       0.70195711      -0.69827327       0.29661176 
O       8.70260940       3.64207768       0.90601623       2.77599365       3.59095246       0.51496977 
O       3.44921931       9.26415023       6.14660668       0.12627645      -2.25125982      -0.21664593 
O       9.54819379       9.17180193       8.77884133      -4.25792195       1.84021766       1.58506359 
O       0.71844152       6.51789335       1.24067999      -0.71578237       2.01309363      -0.65185769 
O       0.79271198       8.76689448       4.25534550      -0.71427269       0.88658357       0.42055724 
O       3.94671788       6.03994375       3.21007334      -0.34929458      -1.71516258       0.65860891 
O       3.48848462       9.47136550       1.07714090       1.03392574       0.42982985      -1.45583005 
O       3.50818975       8.50673447       3.41584898       1.38225685      -0.28108323       1.98470879 
O       1.30722409       3.73651451       8.79906056      -0.61972228      -2.66203666       2.13069255 
O       6.17890391       3.90452989       0.82549170       0.39536474      -0.88803790       0.74231446 
O       6.29796091       1.19751518       6.14796457      -0.07003209      -0.47628054       1.52692544 
O       7.45873167       3.28726010       8.49673401       0.50028238      -0.91025591       2.25637375 
O       3.84962828       3.54306596       6.54657000      -3.57469424       1.13438576       0.68383238 
O       1.08471477       3.95550583       6.42526570      -0.37820150      -0.33913768      -1.63411726 
O       9.82787881       4.62556503       8.14023494      -2.04954455       1.15083429       2.52681988 
O       8.74931147       3.57205974       6.19799991       1.00275687      -1.52805017      -2.38050428 
O       6.26559984       4.06983315       6.23753138       0.95627341       0.24903886      -1.69791446 
O       6.85301846       0.82412125       9.23544396      -1.19699958      -1.71380898      -1.86725902 
O       6.67842612       1.12994267       1.07523250       2.03195866      -0.90190622       1.08540467 
O       9.62206968       1.83260430       9.20123225      -0.73119651      -2.11576748       2.65995420 
O       6.05885304       9.27791318       1.79459766       1.73570023      -2.89036362       2.94832149 
O       8.64175410       8.98943990       6.18149262       0.24558704      -0.94935171       0.32765087 
O       0.61855336       6.94852127       8.93319559       1.08795708      -1.75591776       1.93366498 
O       8.19323954       6.73277794       8.53946437      -0.10930049       2.10103717       1.28036649 
O       8.87958185       6.31229416       0.71013732      -2.53404504       2.11438346       1.08935978 
O       8.92121420       5.93197820       6.00757619       1.08176955       2.66293153       0.03529544 
O       6.30299557       9.50073628       7.28712315      -2.72123742      -2.45837790       0.16886662 
O       5.55566012       5.56257702       8.73213811       1.52863584       2.17884605      -2.92784661 
O       3.92954557       6.25063621       5.78580914      -2.17168973       1.23793279       0.75313792 
O       6.01079947       6.72240290       0.85071283       1.67484775      -1.91314181      -0.31417451 
O       8.84468597       6.24144333       3.62668723       2.97001002       1.51452514       0.18710978 
O       9.27769936       1.19204774       1.58398129       0.00014342       0.68359003      -0.37416220 
O       8.42441749       8.46927604       3.37114230      -0.93705373       3.60926913      -1.39279950 
O       9.24561825       9.35972872       0.78226409      -3.50777381      -3.75590425       0.59193895 
O       7.05271491       3.61873104       3.48158112      -1.63983059       0.80579153      -2.07015092 
O       6.37176207       6.19323496       3.67728817       1.19567563       0.99791679      -1.69188588 
O       6.44154598       8.80712048       4.64945351      -7.07838161       6.31546124      -1.33818854 
O       9.15419757       1.13157006       6.48967019      -0.13060580       0.50792070      -1.13283654 
O       1.21720985       6.41466752       6.34501255      -1.39623157       0.38640814       2.02012901 
O       9.69667003       3.94377018       3.44439115      -3.99539656       2.74906980       0.76822387 
O       3.25625158       7.05024761       8.25931674       1.68719456       1.93947286       1.34687358 
O       4.11814942      10.39639714       8.99664567       0.24610392      -3.45746142       2.53810033 
O       4.09695725       2.88136475       9.22733872       2.68371514       3.23965652      -0.82664272 
O       6.28935801       6.60718019       6.39473548       0.84369291       1.60280489       1.38543760 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03667790012480502 0.0061683281553973355 -0.005439966079175482 0.0061683281553973355 -0.05407204976985769 0.007334337349232153 -0.005439966079175482 0.007334337349232153 -0.052361517813255064" pbc="T T T" energy=-919.77135396 free_energy=-919.77284796 config_type=crystal 
Hf      10.39852723      10.38159312      10.20550475      -2.18787453       2.23014698       0.26820633 
Hf       5.27659805       1.68973952       2.92902970       4.20954767       4.14410117       4.62291172 
Hf       0.03371885       2.66239813       7.49356518      -2.43981798      -0.78343779       1.06630030 
Hf       9.45002733       0.09028720       5.12612769       4.46891602       1.51390039       3.91913037 
Hf       7.62788190       5.20202847       7.38741174      -1.61873555      -2.69801876       2.21878574 
Hf       7.95533026       7.36256184       4.77321235       0.56028134       4.54420632       1.96534355 
Hf       7.75019316       2.47604754       0.42166321       3.91989578      -2.54645447      -3.50691057 
Hf       7.76487765      10.04178962       2.36495166       6.24236538       6.13664752       0.25404778 
Hf       2.37821317       2.25779117       5.06691799       0.07074958       0.00171165      -0.32901533 
Hf       5.03040299       2.47384200       7.95817790       5.53956264      -3.57848018      -0.25773296 
Hf       4.80631275      10.13798960       5.04171496       1.22024218      -2.43890366       6.49739415 
Hf       2.64867150       3.09669781       0.03907367       3.28443846       0.50809727      -0.13599237 
Hf       2.56808448      10.37208667       2.67478153      -4.29771854      -1.74974970      -5.29862948 
Hf       0.21716057       2.64468273       2.11046109      -2.24287451      -0.75096572       1.10330205 
Hf       2.62578537      10.37108066       7.83241332       0.39425004      -0.57364949       0.59894559 
Hf       7.01673233      10.26246474       7.64871445       0.82815701       0.25636438      -2.19425068 
Hf       2.53504572       5.20227568       7.68496937      -0.12885010       1.16618401       0.87920823 
Hf       5.13615075       4.38203948       5.26240860      -1.45796887       1.41983306       1.84683271 
Hf      10.43509623       5.35891482       4.78851445       0.59897839       0.52339649       0.10165567 
Hf       2.09065317       8.02579479       5.21481199      -2.46975431       0.72163575       0.93615669 
Hf       5.72521298       4.94039126      10.23864953      -2.86997199      -3.49953718       2.11863727 
Hf       5.56112369       7.51267018       2.23394655      -3.91541323       2.20411786       1.11653029 
Hf       4.56033654       7.58200928       7.64416239       3.71305419      -0.51788263       1.31477930 
Hf       7.14313252       8.05146796       9.86483475      -0.82434358       1.53302453       0.02530855 
Hf       7.66744371       5.12822376       2.81168340       0.04085395      -3.03365942      -1.31395523 
Hf       2.63396042       4.73574973       3.05421142       2.06240029       3.49070307      -3.96274253 
Hf       0.29318872       8.15745445       2.51636366      -4.91197083      -1.51100510      -0.62026192 
Hf       9.89989768       5.59360187      10.01123293       2.67615739       0.89406768      -0.47596296 
Hf       7.95499879       2.96687077       5.28935614       2.67606031      -3.37592046      -0.44962007 
Hf      10.13927600       8.00757564       7.51984141      -0.25634082       1.00853579       1.48227663 
Hf       5.12959347       0.03021247       0.22021973      -3.15037672      -0.11342447      -3.92113880 
Hf       2.55598388       7.76083707       0.30640920       2.62241375       1.32362397      -2.98935569 
O       1.34915640       9.14954806       1.16951684       0.74657623       2.01964928       0.52213842 
O       1.11382504       6.67119241       0.19862147      -3.91619724      -2.00728657       1.22333076 
O       3.11598252       0.44560527       5.85500924      -3.89076777       1.10629975       2.12320154 
O       0.99933266       1.34971812       3.49674936       2.96472226      -0.35383745       0.34651916 
O       4.13112908       4.35342866       1.09765665      -0.87039333      -0.41195746      -1.10386749 
O       0.87997737       0.95478401       8.25292629       0.33905381       1.72472174       0.18233364 
O       3.87650831       3.27725902       3.75059145      -0.63648189      -2.38336795      -0.04372280 
O       6.73148201       3.81471231       1.35923608      -1.41352738       1.85180840       1.63173671 
O       3.61066107       0.88163658       3.77576496       3.02615033       2.37480609       1.63593170 
O       1.12301007       3.81826192       3.90637853       1.25070332       0.13234169       2.12984379 
O       1.33965350       1.55096252       0.74193029       1.34087660      -0.63557428      -0.99458380 
O       3.60793222       5.41222054       4.60168368      -0.79592806       2.06207724       1.41207209 
O       4.52000252       1.50505411       1.32408618      -5.04184184       1.72989960      -4.12634833 
O       8.57133478       1.06598812       3.88091029      -3.01635999       4.66083152      -2.64695816 
O       0.66361956       9.57384792       6.40948497       1.29980231      -1.21740362       0.17505350 
O       6.35004931       0.26852972       4.08720056      -2.29310992       1.45393756      -2.10282076 
O       5.84155128       8.86237427       8.68135558       0.33950890      -0.75571950      -0.13095658 
O      10.15901242       2.00537238       5.60669750       1.06672627       1.49214536       3.63347722 
O       4.17268785       3.89224864       8.66013139      -1.90676283       5.25677400       3.17032639 
O       0.72220286       8.98441958       9.23657242       1.63544117      -1.27580139      -1.76311546 
O       1.52038856       4.07399410       1.40534126      -0.69755187      -1.07991505       0.59934835 
O       2.99387158       8.48257869       6.99064208      -1.53892169       1.70530955      -0.21762798 
O       8.73051585       9.44274453       8.64308948      -0.78301134      -0.48828181       1.29609780 
O       0.47713417       6.19955446       7.99553700      -1.32485636      -0.03242364       3.18823799 
O       1.30264251       9.28847127       3.68900414       1.83919020      -0.61935155       2.03955895 
O       4.91031245       5.46970917       7.11759823      -0.72664810       2.39153320      -2.20105966 
O       4.26224503       9.51698934       1.83589624      -1.42660781      -0.22815956       2.01219196 
O       3.87228750       8.47219077       4.71285712       0.12335283      -0.39504793      -3.69073739 
O       2.03894889       4.56089051       9.45590075      -3.27540438      -1.24428639      -0.60420657 
O       9.17956376       3.85188438       1.23111671       0.13201044       1.52878628      -2.52134946 
O       5.05971955       0.31032995       7.30645820      -1.39630694       1.28354771      -0.62866374 
O       6.73914892       3.71930609       9.11381960      -0.64469727      -0.69443884       1.72132549 
O       4.25943077       2.62882193       6.24530358      -2.19128947       1.96810935      -3.59948247 
O       1.68408537       3.59740040       6.69597428      -0.61608678      -1.76184984      -0.59541501 
O       9.01870319       4.53167443       8.70102586       0.32428099      -0.36888377       0.21113792 
O       9.22470197       4.51675528       6.36622555       1.85373534      -1.94150286      -2.33273390 
O       6.60400966       3.37697480       6.72363163      -0.10510858       3.26492837      -0.37014144 
O       6.57187529       0.62420197       9.50420875       0.35674682       2.60975170      -0.00159596 
O       6.79866894       1.10340374       1.65329129      -1.11767312       2.09674732      -1.10620118 
O       8.84868249       1.97541278       9.17659178       2.34536138      -0.25077613      -0.08409402 
O       6.33982665       9.18690340       0.85076924       2.79731975      -3.47128910       1.06197964 
O       8.22976857       9.54564454       6.06273307      -2.37360637      -4.77590893       1.58491426 
O       1.34193765       6.41250206       6.05120015       4.20316053      -3.46262403      -1.21631526 
O       8.37294974       6.90157492       7.20081855      -1.05650983       2.62409510      -1.14720649 
O       8.71097598       7.15568191       9.88297341       5.15670122      -4.26294201       0.31677773 
O      10.08958321       7.45582887       5.56250816      -3.95752178      -0.92155091      -4.47003699 
O       5.64333485       8.65151278       6.26688907       1.69405106      -0.86255097      -0.86647907 
O       6.07459106       6.44480536       9.12612481       0.42229450       1.56529172      -1.15469261 
O       2.92068218       6.83866657       8.71812711       2.05176717      -0.01789062       1.32044846 
O       6.64484626       6.30809136       1.16906889       1.00386994       0.33676865      -0.78102839 
O       9.18456148       6.60130258       3.05867076      -2.16552955      -1.35716779       1.93805426 
O       9.44724719       1.05820880       1.39507203      -0.95726967       1.22954282      -1.13781968 
O       9.25634538       9.41109955       3.70882848       1.57831559      -5.86341660      -2.47660415 
O       9.14598307       9.02147422       1.44849267       1.95191173      -1.51099013      -3.80425970 
O       6.33115802       3.27736368       4.23386049       0.85115261      -1.73838230      -4.55635337 
O       5.97852432       6.27467111       3.66489493       0.58224846      -0.06308710      -1.15117714 
O       7.05306584       8.61195076       3.12500187      -3.86961286      -8.37017022       4.68056471 
O       7.44713062       1.31236237       6.32273692       1.27859572      -0.11683744       0.71265277 
O       1.32290392       6.42121779       3.10309046      -1.33814511       0.46907347       2.31971819 
O       9.29038910       3.71786176       3.53715528      -2.77481871       2.55057651       2.34690608 
O       3.42665502       7.07458309       1.94775856       2.35625034      -0.67151340      -0.61521551 
O       3.67544863       9.26808343       9.66246303      -1.18176557       1.17637744      -0.42370917 
O       3.53597071       1.75330588       9.04055222      -2.13545467      -3.78413454       1.07750312 
O       7.28445060       5.35763888       5.09809806       2.30299924       0.40962262       1.15691622 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02235246734040972 -0.001770559539549112 -0.008195962473502598 -0.001770559539549112 -0.02660978234641333 -0.009290357134638324 -0.008195962473502598 -0.009290357134638324 -0.030372827457500747" pbc="T T T" energy=-928.66576821 free_energy=-928.66586613 config_type=crystal 
Hf      10.46190049       0.20106230       0.01037336       0.82153759      -1.29058130      -1.26553581 
Hf       5.54554988       2.02528903       2.79540721      -1.07338664      -1.06604317       0.56318810 
Hf       0.11071659       2.80124347       7.69991573      -0.51620287      -2.34698170      -1.92839847 
Hf       9.79043807       0.03652400       5.22291189      -2.06786205      -1.95217843      -1.71819967 
Hf       8.00342077       5.18502403       7.69134914      -3.45188308       1.42990379      -2.02261419 
Hf       7.90640799       7.31604398       5.21872823      -0.19405680       7.40625449      -3.57059099 
Hf       8.07771373       2.35561476      10.42595579      -2.11312343       0.52958501       0.31060184 
Hf       7.69573720      10.13315965       2.47606607      -1.53618132       2.69645442       0.79879566 
Hf       2.30240544       2.37104811       5.02589153       1.56442638      -1.41732970       1.08010055 
Hf       5.30624168       2.31433785       8.18683800       0.02218358       3.78911136      -3.50442853 
Hf       4.47674080       9.99884283       5.25246791      -0.24216622      -0.86786577      -2.03440206 
Hf       2.74357513       2.96087040      10.26905939      -2.03231950      -0.50211003       0.29901361 
Hf       2.43543293      10.37527290       2.49916351       1.42887201      -0.62729456       0.64239414 
Hf       0.23702269       2.72563857       2.16383211      -3.74694959       2.66729371       1.12148717 
Hf       2.50573429      10.20514178       7.88272822      -1.95217805       1.13274017       1.60329835 
Hf       6.82562579      10.26254701       7.48656664       3.19814636      -2.37395796      -0.40306731 
Hf       2.44279109       5.36622839       7.83894308       1.40066975      -2.02845305      -2.55581964 
Hf       4.86559896       4.43193374       5.31107036      -1.18062923       1.40441019       2.88212659 
Hf       0.13314859       5.42403101       4.71645341      -1.50871827      -2.57692240       1.31162741 
Hf       1.80893258       7.79841408       5.09330977       2.23152792       2.39758293       0.08861177 
Hf       5.46651227       4.80095290       0.16407663       2.74132232       3.66783275      -1.33249077 
Hf       5.61494706       7.54408667       2.29262101      -2.96342017       1.03693973      -1.96669611 
Hf       4.91081169       7.56379003       7.81360985      -0.28489216      -2.06199036       0.21671254 
Hf       7.51414612       8.12814784      10.14804071       0.74759176      -0.66204493      -2.64166272 
Hf       7.76105498       4.99423683       2.43842721       2.90540806      -1.98561031      -1.35815484 
Hf       2.72074960       4.88096533       2.72694381       1.08366993       0.07397938      -2.59986106 
Hf      10.28947853       8.05083632       2.52127859       1.71209534       0.78008900      -1.27843288 
Hf      10.14956124       5.25963025       9.88204203       3.08164900      -0.47632190       2.99605477 
Hf       7.95275484       2.95546366       5.28126127       1.05450795      -2.11784704      -0.29275057 
Hf      10.08799319       8.09739469       7.49665072       0.81903095       0.51801100       4.42357098 
Hf       4.82624542       0.18435395       0.04078804       0.58482469      -0.28745950      -0.54123177 
Hf       2.46467047       7.70593955       0.29643418       2.16496162       1.18365414      -1.62730063 
O       1.20593964       9.26062731       1.13533151      -0.50921280       1.90491388       1.72749773 
O       0.68966669       6.95555163       1.08614958       0.34594387      -2.00084711      -3.00351515 
O       2.47307043       0.52616696       5.90495960       0.64493775       0.02253954      -0.39879327 
O       1.18935720       1.50931249       3.29735318       1.72808913      -2.20191044       2.20306784 
O       3.87249819       4.21589201       0.90273592      -1.42953863      -0.86574841       0.99744862 
O       1.43966820       1.30480922       8.24204710       0.68660875       0.29220126      -0.49879139 
O       3.77781696       3.18007962       3.15828669      -1.61970252       2.18951495       2.55736039 
O       6.71044715       3.51688717       1.25134944      -1.56885545       1.76601314       3.91876769 
O       3.95612679       1.05221199       3.95563571      -1.70083799      -0.77588748       0.12238090 
O       1.07998509       4.01975228       3.62498690       1.62420596      -0.63706598       1.45358897 
O       1.17306949       1.74948949       0.85190033       1.07771969      -4.00371678      -3.16890722 
O       4.10566932       5.83414079       3.62817961      -0.80130265      -0.13721618       2.28664862 
O       3.82743481       1.49262068       1.22976772      -0.34640982       0.40492138       0.90896060 
O       8.04992848       1.40095959       3.96329247      -0.36344043      -0.11499472       1.64048967 
O       0.48650467       9.18039844       6.20756759       2.86653048       1.85641107      -0.57929936 
O       6.04060553       0.12047193       3.59231027      -1.18480923       0.96897915       0.08107920 
O       5.53536051       9.08423803       9.21448120       0.23069964      -2.53410694      -1.78275306 
O      10.02177940       1.77518663       5.90172262       0.75359243       0.55853085       0.28161053 
O       3.57206340       3.93598741       8.71645597       1.86526492      -0.46595881       1.91932998 
O       0.67816423       9.51776018       8.72494940      -2.40125279      -1.54566029       0.57116921 
O       1.40683353       4.08517912       1.11065022      -0.41892169       1.22166649       0.48589691 
O       3.31887169       8.34334264       6.65527101      -1.09138192       1.98725195       1.02374851 
O       8.12966292       9.21792804       8.47581302       2.26283840      -1.81454820       2.46318426 
O       0.91718817       6.50751266       8.18434704      -2.97621978       1.54290306       2.71211317 
O       1.02045314       9.11285357       3.59131943       3.68099699       1.56762172       1.74933657 
O       3.97944433       5.81010914       6.60860307       1.50016632       0.26233062      -0.52767256 
O       4.14954886       9.40039022       1.30400981      -2.74656767      -2.04437920       4.57045185 
O       3.36889185       8.68666059       4.15659973       1.35855379       1.40229468      -1.50196893 
O       1.00447533       3.75881495       9.08719599       2.47582747       3.40648811       2.42891375 
O       8.87961723       4.10096413       0.68247317       2.54480611       0.89869817       1.24408915 
O       5.01296735       0.25296732       7.07278584      -3.93398509       2.59311755      -0.16333428 
O       6.44084349       3.55833185       9.52629746      -0.06761826      -2.19905250      -2.44019460 
O       3.99728501       2.96155771       6.39598964       1.61142993      -0.44341418      -3.03373073 
O       1.76752641       3.48859755       6.64213876      -1.38719627       0.07741162      -1.51951672 
O       9.13845169       4.03630238       8.79824158      -1.36891587      -2.17221534      -1.28439094 
O       9.57944388       4.07084618       6.29456306      -1.45154672       2.07669748      -0.17445584 
O       6.30703406       4.08151281       7.06682806       0.38434401      -1.96681454      -2.52784721 
O       6.33523838       0.95452644       9.19187390       1.20292414       0.50154721       0.98417801 
O       6.58485924       1.18967474       1.19924608      -0.38881326      -1.55856093       0.15236982 
O       9.79684192       1.61086425       9.27642667      -3.14295176      -0.25288108       1.34155490 
O       6.46462447       8.92248344       1.02336400      -0.35934751       1.28983977       2.39825749 
O       8.21259176       9.37228146       5.91755442       2.07391131       1.68083606      -0.37670837 
O       1.44644182       6.02735564       6.01932199       1.08079616      -1.22417744      -0.65599747 
O       8.54187850       7.14355786       7.05024552      -2.47937636      -2.11825424      -1.11906324 
O       8.95214077       6.48638548       9.06287275      -0.72067903       1.47227707       2.80662413 
O      10.24635412       7.34833127       5.09858170      -4.68756738       0.00487672      -0.68639732 
O       5.92600430       8.61244351       6.39777235       0.14851468      -1.43117242      -0.69487612 
O       6.19693288       5.95234417       8.46027228      -0.07411596       3.12458303       1.47496414 
O       3.43395195       6.64974444       9.01623128      -0.75080898       1.70256034       1.12771024 
O       7.19731457       6.43581584       0.89987456      -0.81244993      -0.04210562      -2.15067036 
O       8.84535204       6.83126153       2.85527303      -1.15119485      -2.52835504       1.93148098 
O       9.02079214       1.38975573       1.54803262       1.74692095       0.29592564      -1.86456435 
O       9.45763678       9.86675687       3.35364919      -2.02895860      -1.11295389      -1.21148936 
O       8.82309336       9.36961635       0.74560832       1.82451732      -0.92932949      -0.31544189 
O       6.20887220       3.56247082       4.21763767       2.15765771      -2.06624782      -1.26502239 
O       6.22061057       5.85992197       2.84949140      -1.06811781      -2.03793074       2.35807298 
O       6.61493533       8.31323316       3.69525665       2.29701312      -0.00551592       1.64442962 
O       7.53536739       1.54149627       7.05892440      -0.08248815       2.38201872      -1.79339162 
O       1.34968337       6.59659488       3.47362984       0.34247711      -1.24048849      -0.87156639 
O       9.03049389       3.54583165       3.60076874      -0.01214972       3.34150296      -0.77614525 
O       4.17101075       6.74995768       0.91682154      -0.82377726      -0.02675692       0.96687338 
O       2.71663764       9.53319835       9.92941246       2.47701433       0.38329594      -3.17690777 
O       3.74979685       1.52759014       9.19204063       1.14191704      -1.96997836      -0.13931356 
O       7.60624156       5.57688170       5.52993703      -0.89102858      -4.75502417      -0.59650475 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.029023915457448677 -0.0012551507891782115 0.022128766179534555 -0.0012551507891782115 -0.034324484133678355 -0.0035920370546453054 0.022128766179534555 -0.0035920370546453054 -0.036712421580980294" pbc="T T T" energy=-927.27590718 free_energy=-927.27597329 config_type=crystal 
Hf      10.02918842       0.21208090       0.20231060       3.78592149      -2.87851983      -1.25728904 
Hf       4.83733017       2.71049126       2.32967721       3.83704312       2.45185911      -3.03960917 
Hf       0.18250886       2.74381575       7.89007988      -2.82946313       0.01545645      -0.66236017 
Hf      10.39663473      10.39383586       5.06170289       0.60003189       0.60852523       2.21715666 
Hf       8.04367629       5.39447415       7.95579339      -2.52108974      -4.64748986       3.04021766 
Hf       7.87897409       7.45760478       5.16188871      -2.09902870       1.15420794      -0.78124887 
Hf       7.81226295       2.48136050       9.92330073      -3.64539109       2.48994319       3.58122907 
Hf       7.53016977       0.03337347       2.65388670      -1.87898961      -1.05196229      -0.20147881 
Hf       2.92602015       2.48301751       4.82660336      -2.71263594       3.08496667       2.83471201 
Hf       5.03909988       2.30636114       7.74282328      -2.26516136       1.41006252      -2.06431308 
Hf       5.23806537       9.98964681       4.99833120       2.19412909       2.49157974       4.21132140 
Hf       2.47871161       2.48122381      10.35841039       0.51577793       2.38030034      -0.14209182 
Hf       2.84084893      10.46523627       2.27585206      -1.54939720      -3.59842951      -1.32001663 
Hf      10.10316279       2.41588689       2.61431390       3.73504000       0.76033715       0.20259624 
Hf       2.11647978      10.42736600       7.55961496      -5.28722351      -3.03206439      -0.34563191 
Hf       7.64679736      10.32837647       7.73493637       4.15320763       0.69194810       0.80602805 
Hf       2.11130299       5.23793162       8.23745903       1.68036021       2.41588389      -3.06974763 
Hf       5.18610467       5.03212143       5.29981773      -2.95831108       2.81709856      -0.71847423 
Hf       0.11683084       4.96871217       5.09142052       1.33288297       1.78781376       1.58999588 
Hf       2.38370761       7.74564004       5.12494375      -0.78487778      -0.78814242      -0.13231483 
Hf       5.35448165       4.65324175       9.89878658      -2.72381383       7.32710891       2.68705624 
Hf       5.11714099       7.57852864       2.39075021       0.41718191      -1.96818135       0.79447852 
Hf       4.96121952       7.42323985       7.65639821       0.10783553      -1.07359986       1.73159885 
Hf       7.64744699       7.85773524       0.20042888       0.34367705      -0.20095573      -2.47513857 
Hf       7.90365999       4.90166161       2.60369405      -0.72285355       2.53172250       1.66332539 
Hf       2.57582916       5.43164109       2.60425912      -2.87237951      -7.29863991       3.45108903 
Hf      10.23934009       8.03084787       2.64859761       1.38615966      -2.63886481      -2.08955305 
Hf      10.04240891       5.11601671       0.30065269       4.34596074       3.81257418      -3.35701939 
Hf       7.84018091       2.79094149       5.29846194       1.26101908      -4.53617668      -1.66221485 
Hf      10.07864687       7.96428660       7.83871397       2.35481175      -0.50835418       0.20511628 
Hf       4.67384080       9.94974714       9.71220804       4.38376723      -2.04106502       3.78814153 
Hf       2.36544974       7.86152851      10.31792126      -2.82370254      -2.71702754       2.38867469 
O       1.47398048       9.13437134       1.18704940       0.77319821       1.30048510      -0.14090573 
O       0.48036205       6.94021111       1.04660744      -0.38023862      -1.30000988       0.53810271 
O       2.95703610       1.02713204       6.27619320       2.97613378       1.58216758      -3.28042879 
O       0.74176942       1.65865522       4.22587614       0.36020795      -0.00685354       0.42031027 
O       3.21395075       3.57190652       1.48203988       0.08650585       0.69293855      -2.23174128 
O       1.42453648       1.56354876       8.93029352      -1.32489913      -1.73048760       1.76723510 
O       4.06908597       4.41193922       3.50182463       2.96609189      -3.32381214       1.42826793 
O       5.83914186       2.94987503       0.20896773      -1.33113083      -1.05529984       3.25009768 
O       3.47331585       1.65641692       3.18277079      -0.59089581      -1.19631651       2.53819831 
O       1.82185196       4.22032246       4.25344693      -1.97376828      -1.33834780       2.24237384 
O       0.99712492       0.98856755       1.80890851       0.06273301       0.81684045      -2.35932552 
O       4.10896376       6.63748046       4.27052453      -1.46476609       1.25210868      -1.19711961 
O       3.91823789       1.16129208       0.85259141      -0.74442026      -1.16584822      -1.33760965 
O       8.59066094       1.55227802       3.40674475      -0.47163369      -1.08966128       1.54997723 
O       1.11534023       8.97194691       6.31595095       0.69661410       1.22392056      -0.68431969 
O       6.27741608       0.95364519       3.88433923      -1.32881414       0.21037714      -1.31264141 
O       6.10251687       8.50277981       9.27918106      -2.12476181       2.61376430       0.73698551 
O       0.59163178       1.03244552       6.68940778      -1.53550586       0.65113726       0.83382225 
O       3.10514979       3.50153325       8.57272899       4.43343436      -3.71903443       1.57939827 
O       0.75247917       8.86325762       9.13091488       1.08017897       2.65782862       0.85378557 
O       0.64167435       3.93956936       1.71038567      -0.23905263       1.36902125       0.06059891 
O       4.06907216       8.60331175       5.93613768      -1.77842205       0.00689136       1.59863212 
O       8.56015856       8.81249812       8.90793385      -0.09866695       1.32531722       1.78081836 
O       0.62638511       6.28869749       8.99234082      -0.02462067       1.83466713       0.23985006 
O       1.75198369       9.51684575       3.69441401      -1.96098377      -1.17652593       2.61287257 
O       3.95411749       5.50141265       7.19886189       0.64006837       4.21239458      -0.46303484 
O       4.10834354       8.60493244       0.66517254       0.45595431       2.71261672       0.80943514 
O       4.46655153       9.52277715       3.39577398      -3.85469145      -1.21256062      -5.05332831 
O       1.37622984       4.20890907       9.68459005      -2.78776489      -2.93261052       3.44259128 
O       8.59432013       4.09543526       0.92265016      -3.11133033      -3.08228087      -0.17547438 
O       5.89149630       1.85509156       6.09236183      -0.18337310      -0.29865082       0.92959238 
O       6.56649189       3.80376456       8.71582675       2.57627637      -2.04345300      -4.80683537 
O       4.05964012       3.54345112       6.25976860      -0.20908101      -2.11605973      -3.09639695 
O       0.55767148       4.40857831       6.98020414       5.81732025      -1.00806462       1.16340557 
O       9.35849141       4.03573072       8.87675567      -1.21354298      -1.20277862       2.28688643 
O       9.17718563       3.82821308       6.47463644      -2.94332314      -1.84247943      -1.44399025 
O       6.95169609       4.36956419       5.63093826      -1.07821929       2.19056683       1.80340615 
O       6.30115017       1.19271967       8.69522403       1.22851477      -1.70463778       1.51795112 
O       6.81493394       0.58450744       0.89961291       0.45288826       0.43371007      -0.26134779 
O       9.13073308       1.44284417       9.17541915       2.43825332      -3.76842312      -3.90423282 
O       6.76535283       8.57386583       1.79894029      -2.05808784       0.08913125       0.97628827 
O       9.14167622       9.17906976       6.59895721      -0.69868249       0.70616639      -1.81125162 
O       1.10825943       6.52844432       6.37821322       1.76608037       1.04590767      -1.59777814 
O       8.82772455       6.62848204       6.90091126       0.95486747       2.36264944      -4.08157419 
O       8.51384646       6.30733235       9.72666427       1.54572369      -1.05799731      -0.74412289 
O       9.47719988       6.69420905       4.16924185      -0.65315103      -0.66511211       0.35320335 
O       6.38224062       9.40341726       6.89886198      -4.05158422      -1.93065161      -2.49846964 
O       6.42059118       6.34373065       8.59233490      -1.23518392      -2.01180087       0.52016537 
O       3.93822215       6.05368744       9.80385616      -3.27112327       0.93881316      -1.80066923 
O       5.80771699       5.83597949       1.08988957       0.79573711       0.49956657       0.20741155 
O       8.41919297       6.62674601       1.66653512       2.15803276       0.54572047       0.64828582 
O       9.19328213       1.69967425       0.95012509      -0.89224646       0.95119116       1.23882826 
O       8.99373398       9.28621047       4.09371891       1.00077597      -0.60895007      -2.20866674 
O       9.09758840       9.26978837       1.19090913       0.39481264      -0.02835060       0.76665759 
O       6.57927311       3.60972958       2.96941123      -1.60506804      -2.53788259       0.29083626 
O       6.71475053       6.07843184       3.66267631      -0.56759331       2.41666132       1.78635745 
O       6.51485511       8.80298120       4.32815436       2.41034039      -1.98005352      -0.26998219 
O       8.34675305       1.11836434       6.30070818       0.84883849       0.16811421       0.02185663 
O       1.37059892       6.73967914       3.58797056      -0.74173713       1.03819863       0.85603326 
O       9.26662769       3.83107244       4.00268024      -0.59087579       1.25355048      -1.82729266 
O       3.14749499       6.76403995       1.68055334       3.23450722       5.81892355      -3.66532100 
O       3.21566219       8.59172158       8.70790928       2.10607390       0.76576128      -1.78743478 
O       3.49844541       0.49191517       8.67436793       3.85407974       4.34367576       0.88820654 
O       6.03088453       6.74311153       6.21879018       2.31200728      -0.12068775      -2.42702168 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.026532746669823335 -0.0001628014019264361 0.006707491702527782 -0.0001628014019264361 -0.0237949641288387 -0.014252964113655354 0.006707491702527782 -0.014252964113655354 -0.0431552497473567" pbc="T T T" energy=-926.43988772 free_energy=-926.43997444 config_type=crystal 
Hf      10.01740882       0.20648860       0.31124511       2.39572229      -0.98804484      -2.98477682 
Hf       4.86389820       2.77268645       2.43168028       2.14988174      -2.85293277      -2.10573351 
Hf       0.13891578       2.83362673       7.91966584      -3.67048228      -4.78611657       3.81135071 
Hf      10.29820462      10.42770375       5.09392947       1.18441699       0.76602468       2.39253461 
Hf       8.23169362       5.37315283       7.89713128      -3.01361880      -3.09249155       0.32271742 
Hf       7.83314899       7.46449970       5.13424894      -3.00991049       3.57352189      -4.36008997 
Hf       7.62438640       2.39528605      10.00619345       0.47178776      -1.48146127       0.88716652 
Hf       7.39043920       0.18544840       2.65574414      -0.18018254      -2.16231145      -0.74506072 
Hf       2.93765417       2.32224464       4.80984195      -6.43166765       4.70571746       2.02419352 
Hf       4.91832569       2.22580217       7.62062683       2.29344175       0.09007175      -2.52315518 
Hf       5.29260380      10.03494264       5.02518287      -1.20484201      -0.09171892       0.18947478 
Hf       2.46662985       2.45534362      10.29250776       2.14400399      -1.80600322      -0.14756223 
Hf       2.82987000      10.36184968       2.23144858      -3.92597438       0.08325751      -1.18481589 
Hf      10.11356013       2.35492148       2.61474196       1.29711135       3.79082066       1.11538762 
Hf       2.11223375      10.37143442       7.57972513      -0.05880332       0.56549129       1.39214936 
Hf       7.70967337      10.32171421       7.78447666       1.04146786      -0.18419679      -2.72371915 
Hf       2.22761209       5.23667798       8.30495848       1.27087218       0.62624807      -3.11888855 
Hf       5.24071657       5.03613616       5.22059383      -3.45686042       3.52411126       0.96736849 
Hf       0.10439040       4.95080367       4.97290514       2.90851321       2.24118050       0.59930728 
Hf       2.36699801       7.69565358       5.21566028       1.45823987       0.36919061      -0.16639852 
Hf       5.37797073       4.78357849       9.81529425      -0.51137121       0.44236953       1.18228081 
Hf       5.12139100       7.56039867       2.40596336      -1.11329294      -0.85973113       2.22330232 
Hf       5.00936540       7.42638662       7.64117115      -0.52892471       1.46662695      -3.39988174 
Hf       7.64126325       8.04708513       0.10701867      -0.29348163      -3.44705209       2.26201291 
Hf       7.88748939       5.08317148       2.55356336      -2.17570553      -1.15007806       1.68855238 
Hf       2.52079850       5.49872096       2.57239561      -1.04216259      -1.33504296       1.35925993 
Hf      10.30964846       8.01829785       2.64962110      -0.05135606      -1.34271415      -0.24332814 
Hf      10.10062861       5.17963980       0.28746130      -0.98922102      -2.01980066       0.26923305 
Hf       8.00093578       2.67377751       5.36336892      -4.29614211      -1.28940880      -2.56219180 
Hf      10.10060255       7.86328243       7.91207052       2.08182240       3.73303177       0.93613619 
Hf       4.68451612       9.93848949       9.72573132       1.99801727       6.39019841      -2.11787809 
Hf       2.27470695       7.88818896      10.37627117      -1.44297428      -0.47698327      -1.78071557 
O       1.05264225       9.18503612       0.80655499       2.47451514       0.35153917       2.60024433 
O       0.52598715       6.59287038       1.18165983       4.74150821       2.83444564       1.38940339 
O       3.19616177       1.07521073       6.17828996       0.15268994      -4.06192743       1.82010450 
O       0.84650699       1.73131095       4.48469898      -2.01972679       0.17421182      -0.75040424 
O       3.27051460       3.50392446       1.48976111      -1.38467155       2.44709895      -0.88062113 
O       1.07976520       1.28062225       9.35734159       2.53835431       0.15345748       1.47691839 
O       4.46421851       4.27452733       3.60100914      -3.77884934      -0.03840009      -0.73695481 
O       5.72572059       2.85934930       0.26304460      -0.08744532       2.84528819      -0.10595722 
O       3.53782731       1.20310351       3.55241249       1.92519103      -0.28206051      -3.83639244 
O       1.75631355       4.16376144       4.22289128      -0.10740471       0.98511490       0.66005099 
O       0.85557899       1.01223257       1.99083179       0.90331421      -0.87460649      -2.48445564 
O       3.96994165       6.74099129       4.07556957      -0.93307392      -0.91058519      -1.63634319 
O       3.80223534       1.07524171       0.89104245      -0.71051396      -0.73403860      -0.59573451 
O       8.46709729       1.60872004       3.46980099       1.23824992       0.31980625       2.19248028 
O       1.31365054       8.88227240       6.45958259      -2.34134376       1.36284202      -0.18579183 
O       5.99055648       1.10160355       3.67540624      -0.30247107      -1.03562945      -0.63682377 
O       5.92815459       8.61851139       9.28459962       3.35520951      -2.34380089      -0.86473837 
O       0.65082432       1.25800752       6.93563183       0.61484121      -2.00213786      -1.39075214 
O       3.36200468       3.06017580       8.54534156      -2.62793599       5.96400680       2.74453806 
O       0.88451133       9.09300389       8.91231594      -0.62121317       0.33981252      -0.67256664 
O       0.57209568       4.18205416       2.01515691      -0.79980912       0.28738580       0.94552198 
O       3.93870810       8.52525619       6.10789660      -0.01480071       1.39355737      -0.78746684 
O       8.57795298       8.75371763       9.14317436       1.83795617       2.70915438      -3.48645576 
O       0.76934441       6.49416647       9.17651318       1.13870147      -0.75896661      -1.32091773 
O       1.51050501       9.62548469       3.88221877      -1.22849786      -1.31574761      -0.25969643 
O       3.98669573       5.77179521       6.82064430      -0.46966716       0.10627969       1.99526769 
O       4.09758198       8.75683981       0.44119125      -2.89543893      -1.35005682       4.78939319 
O       4.17131427       9.47832866       3.08316418       3.22528394      -3.89904844       1.75299359 
O       1.07511758       3.77892711      10.23692365       0.39058151       1.39661924      -2.95319027 
O       8.47106200       3.82825578       1.04835174       0.01209798       2.05259588      -0.34835193 
O       6.19487502       1.68252067       6.28408284       1.18930810      -0.85379830      -1.90552609 
O       6.47464931       3.40652297       8.25877920       0.35324435       2.89299240       2.70421780 
O       4.08721584       3.21199200       6.02564504       2.66304072       3.66629294       0.66657173 
O       0.93940519       4.36950663       7.31508695      -2.25577589      -1.60906089      -4.12075165 
O       9.21742503       3.95235728       9.04604394      -0.48593954      -0.51706986       0.61090779 
O       8.88827780       3.67319264       6.73067569       3.66113432       0.75788730       0.42652165 
O       6.93630764       4.44736678       5.57042625       2.07510785      -0.73122021       1.34253135 
O       6.66000488       0.98384248       8.91681840      -2.45359235       0.44766708       0.11545653 
O       7.01572684       0.48288755       0.74043844      -1.03727188      -0.25051717       0.50494782 
O       9.33971829       1.11530130       8.92347940      -3.57777615      -0.17091564       0.98831464 
O       6.58479518       8.52936836       1.69701552       0.86927852       1.49648923      -0.53367928 
O       9.00787810       9.25667098       6.65989373       2.70115588      -1.30551612      -0.08620512 
O       1.42378124       6.24255693       6.18593186      -0.93682484       0.85380721       0.95642310 
O       8.63828173       7.01128938       6.74549887       1.77733602      -4.86641029       4.87829499 
O       8.70209624       6.25277592       9.63239772      -0.42129051       1.57237343      -1.03377424 
O       9.59215518       6.77694164       4.36603823      -0.81150193      -1.57724148      -0.71654160 
O       6.01502959       9.50736128       6.74944149       2.13504227      -0.01979549       2.22272164 
O       6.45745502       6.14016683       8.52628303      -1.45906022      -1.28873385       0.93229627 
O       3.43286472       6.06672331       9.41562754       5.08295470       1.47000664       3.67104013 
O       5.69441106       5.82104433       1.11809399       0.66739745      -0.32148782      -1.66305680 
O       8.84339591       6.56714237       1.62457612      -1.99469487       0.05196005       0.51371935 
O       8.95009139       1.58608782       1.17688473       1.26572814      -0.68749704      -1.25406489 
O       9.05274105       9.34535444       4.05198138      -0.00917283      -1.02800988      -2.51165758 
O       9.17797688       8.96980751       1.19193712      -0.93093468       1.94191648       0.14032077 
O       6.52249565       3.54442489       2.91683219       2.72844801       0.96954870      -0.46608469 
O       6.76701915       6.48902296       3.72719928       0.27092326      -3.20747880      -3.16286588 
O       6.48315676       8.70103863       4.18244088      -0.69588548       4.14330778      -0.46987495 
O       8.50539207       0.89916548       5.95706600       1.06782138       0.16741432       0.94216339 
O       1.30256161       6.96945734       3.73394506       0.77744040      -2.15718588      -3.40097970 
O       9.06685786       4.05618994       4.01990352       0.29862326      -0.41103519      -0.67938900 
O       3.25157873       7.06060622       1.46042989      -1.04689220      -3.03061654       2.42567457 
O       3.37462848       8.72341746       8.54827764       0.03561130       0.39470389       0.72990638 
O       3.84828432       0.96374727       8.58497988      -1.70862784      -4.67137425       1.58008460 
O       5.92619249       7.00633321       5.78531921       0.75852540      -1.18692920       3.81912398 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.032804252126558055 0.00040952403217092313 -6.592754420998728e-05 0.00040952403217092313 -0.02052890272707692 -0.0015560912808446343 -6.592754420998728e-05 -0.0015560912808446343 -0.03205996840994474" pbc="T T T" energy=-931.30628721 free_energy=-931.30651299 config_type=crystal 
Hf      10.21939727      10.27200447      10.45250770       0.02750606      -1.21092140      -0.70459448 
Hf       5.13764009       2.47511260       2.40451389      -2.44017816       0.30855495      -2.20364562 
Hf      10.28185390       2.31383777       7.61176688      -2.00588736       2.12213276       1.85570018 
Hf      10.46129899       0.01311174       4.98285117       1.01477389      -0.94120600       1.27766426 
Hf       7.62778990       4.63019382       7.15199048       2.72627274       0.84112208       1.05698314 
Hf       7.97200459       7.83472468       5.37798183       0.22473777      -0.73785470      -1.11168867 
Hf       7.38124903       2.13963237      10.20051823      -0.12081997       3.13687050      -0.89851493 
Hf       7.24194737      10.36114887       2.28603285       0.92211977      -2.89163436      -1.02172962 
Hf       2.43825504       2.47031102       5.00846018       2.07693770       0.58065876      -0.70853856 
Hf       4.68054168       2.67103662       7.74308692       1.33895398      -3.30466688       0.26168528 
Hf       4.92132404      10.35731353       4.87975481       0.67304357      -1.12823654       4.05509946 
Hf       2.40625296       2.48647533       0.09697374       0.50079815       5.23882905       2.49725873 
Hf       2.07421517      10.46322278       2.47833912       2.73944201      -3.66788575      -1.79531778 
Hf      10.16922042       2.64216372       2.53410429       1.66251189       3.54220458       0.55485019 
Hf       2.23505303       0.17183020       7.93440257       0.08564716      -0.11036880      -3.24480893 
Hf       7.84223428      10.24636919       7.52776505      -2.38783005       1.82278248       2.89618713 
Hf       2.46351563       5.28991713       7.48691527      -1.76359216      -0.18846722       2.97860208 
Hf       4.99654609       5.26297702       5.12431536       1.09770666      -0.25435050       0.02799755 
Hf       0.04135415       5.03903405       5.09763241      -2.73594484       1.57373646      -1.43204548 
Hf       2.52665298       7.88252224       5.45476731       3.65021362       3.38708167      -2.74918077 
Hf       5.07881377       5.34984429      10.40981282       3.29389345      -3.38075446      -0.90310587 
Hf       5.26045341       7.60946212       2.44383886      -0.32712162      -0.20873791       2.06048661 
Hf       5.64840384       7.47998036       8.03966145      -1.73262045      -0.19358110      -0.51406001 
Hf       8.04817811       7.75107577      10.22067540      -1.31642384       0.92430759      -2.06101421 
Hf       7.62956821       5.16110291       2.27046228       0.88851675      -0.01336107       1.69876563 
Hf       2.53123037       5.29023467       2.64220956      -2.43104560      -1.52899452       0.39389109 
Hf      10.17234490       7.67616133       2.79884368       0.95030538       1.29708609      -1.07079569 
Hf      10.43529394       5.32673847      10.31554407       0.97452174      -2.89356802      -1.09087881 
Hf       7.69275392       2.46797067       4.64278277      -0.25896355       1.47033973       2.73237713 
Hf       0.25126070       7.81973833       7.77549153      -4.15704407      -3.30299133       4.40670687 
Hf       4.67596345      10.18916649       0.08174008       3.49783423      -0.87553137       0.44227595 
Hf       2.58345347       7.42115854       0.06035523       0.37041547      -0.49927118      -6.43645573 
O       0.57878735       9.49517339       1.85846105      -2.25578404       0.47028141      -2.12166478 
O       1.44961873       6.62934749       1.24744199      -3.38043574      -3.06177283       2.52439438 
O       1.62086606       1.49908796       6.49425753      -2.21830109       0.23938147      -1.47009506 
O       1.22004022       1.24085122       3.64343399      -2.68936949       1.44189320       1.71051141 
O       4.17827209       3.44143005       0.66087020       0.47273235      -0.15190115       1.54797531 
O       0.36171260       0.65149908       8.52759884       4.70532052      -1.09986087       1.61339920 
O       3.91831471       3.88186449       3.60192483       0.96104594      -1.57197060      -0.36123304 
O       6.72330822       3.95339971       0.61701127      -0.05910077      -0.51400943      -2.46080447 
O       3.53542877       0.99281588       3.99566453       0.96936793       1.15007295      -1.37031722 
O       1.32120295       3.77935487       4.02433596       0.24528854       0.71377154       1.21737930 
O       0.91721172       1.38714033       0.48459929      -1.20627425      -2.36869643       2.07548084 
O       0.65981929       6.13889393       3.35100732       2.96381711      -2.57943980       3.21439797 
O       3.60770961       0.88109119       1.26625478      -1.55697609       1.21935069       0.75573377 
O       0.74947684       4.07268216       6.59646374       2.25771103      -0.70685085       2.03769252 
O       1.12349246       9.07980664       6.74549908       1.91520829       3.76384598      -2.05296341 
O       6.50468396       1.09818613       3.61670227      -2.99450799       1.33563608       1.64783046 
O       6.57354140       9.00405187       8.96597583       0.60906731      -0.49215590       0.42236266 
O       9.42828265       0.55622348       6.70378028       1.12648957       1.09187331      -3.11615929 
O       3.98755239       5.12565420       8.71411950       1.47822740      -2.63232378      -0.47129018 
O       3.47161405       9.86990636       9.14477370      -0.46268001      -1.25884021      -0.73352943 
O       1.40231873       3.51704709       1.64125611       0.74793187       1.26412459       0.41668821 
O       3.44497401       9.54990920       6.10584701      -1.06116700      -0.79638056       1.32721644 
O       0.95449787       8.57813918       9.91599071      -0.52685514       2.83259507      -1.35458746 
O       1.35235518       6.46633496       8.99298386       1.81218374       0.41323090      -3.14085027 
O       1.38530749       8.81489990       3.89782712       2.00910844       0.72894960       1.80523498 
O       3.69144821       6.30185476       4.20052240      -4.20771707       1.37409452      -2.07021315 
O       3.03292652       8.74826244       1.18735784       3.21646085       4.81678758       3.90960887 
O       4.33058094       8.69552211       4.12048255      -0.86839971      -0.96440844      -2.48729498 
O       1.72916193       4.34472204       9.61437252      -0.35106570      -1.47314662       0.75887639 
O       9.34908282       4.57945650       1.69452383       2.88129180      -0.47967432      -2.62574754 
O       6.72245722       1.71705683       6.30417752      -0.01285871      -1.36080251      -1.00783781 
O       6.95181289       3.42496557       8.37391180      -3.26936264      -1.36599223       1.01836395 
O       4.19568534       1.11398130       6.54960593       0.27125044       3.34015809       1.48959172 
O       3.50459692       3.84468824       6.26293023       1.41862080       0.18149348       0.35467706 
O       9.65985915       3.70607221       9.35270025       0.50479651       1.86548785      -0.97642106 
O       9.46676906       6.57473852       6.64248341      -2.72768016      -2.79144734      -2.86065506 
O       8.89249966       3.11205832       6.32459655       0.01633534       1.08726950       0.51466390 
O       8.83310418       1.58075948       9.00892566      -2.60078724      -1.78513777      -0.05367269 
O       6.07678258       1.01602656       0.97659327       1.45403329       1.04833723       3.63695127 
O       8.82688579       1.93150403       1.47434356      -2.64838061      -1.94591437      -1.64003996 
O       6.00191293       8.99652793       1.26058283      -1.57426853       0.91517873      -1.85530460 
O       8.83274990       8.71613885       6.98772002      -0.12749852      -1.89876364      -4.18128888 
O       1.28760666       6.64091139       6.24318061      -0.31013389      -2.28582953       0.36770495 
O       6.17198471       5.95387464       6.73194933      -0.23126528       2.44119694      -1.16085989 
O       9.51768315       6.74839413       9.16468397      -3.00016065      -0.11239127       2.12031891 
O       6.79855371       4.32557444       5.36165707      -0.10426358      -2.69004620      -1.27164288 
O       6.32043069       8.91259874       6.35669032       1.34652734      -0.07202380      -1.01373209 
O       6.61175046       6.10597689       9.10688501       2.82630173       0.61455442      -0.57249932 
O       4.66357168       7.17229878       9.74358456      -2.67277203       3.46806178       0.41266744 
O       6.69576998       6.37176751       1.14670482      -2.33002775       3.26114027      -1.94389218 
O       8.98625200       7.27670101       1.33274508       0.94020175      -1.38615546      -0.07026203 
O       9.16303868       1.09404089       4.06093060      -0.91278362       2.34034893      -0.96180283 
O       9.52135762       9.16208500       3.90660199      -3.76822046      -1.18731622       2.72209295 
O       8.42040642       9.65091944       0.97306731       2.13572231       0.05794332      -1.90179486 
O       6.64750865       3.49755903       2.72517168       0.71487533      -1.35916178       4.26395067 
O       6.08250592       6.08210464       3.46366120      -1.21733491      -0.28849353       2.04269904 
O       6.67180458       8.76021652       3.44016123       2.00606528       0.49686105       2.05792131 
O       9.14745325       9.46929340       8.96684474      -0.79941234      -1.62218046       1.84904738 
O       8.60743051       6.41040087       3.87089393       0.69580294       2.46837770       1.48762210 
O       9.15498766       3.98491522       3.98603783      -0.21104988      -2.65040002      -0.29473265 
O       3.81294048       6.11756308       1.28574347       0.74357671      -0.01215690       2.31392695 
O       2.83165605       2.29032504       8.76033206       2.45984969      -2.02449205      -4.65389748 
O       5.70639245       1.12121669       9.29984008      -0.80414316       1.66854614      -2.67549232 
O       3.77003576       6.77574378       6.77381601       0.33229266      -0.02204580      -0.02569457 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03552648399124612 0.004974765401345196 -0.00017040862190566302 0.004974765401345196 -0.016459302013053068 -0.014210387490632395 -0.00017040862190566302 -0.014210387490632395 -0.034797088982712984" pbc="T T T" energy=-928.57522342 free_energy=-928.57536834 config_type=crystal 
Hf      10.21982775      10.21964741      10.45468959      -0.06398115       2.42584525      -0.57152446 
Hf       5.21158233       2.40500654       2.39788094      -2.73597891       3.26983025      -0.36465609 
Hf      10.25336825       2.33549851       7.59075850       0.25141174      -0.15724119       3.52020389 
Hf      10.42373245       0.07684692       5.06715149       3.29809038      -1.27346114      -4.63392859 
Hf       7.63481502       4.53844554       7.08834060      -1.94124557       3.06063373       2.20522023 
Hf       7.93982573       7.79393601       5.29738371      -1.44679199       0.44384839       0.78130147 
Hf       7.40339384       2.15843501      10.15514056      -0.46936699       3.45404218      -0.46395387 
Hf       7.32339314       0.00008970       2.29271489       5.81183263      -6.80644367       0.19555209 
Hf       2.37335298       2.48412609       4.89468181       2.80757421       1.10504703       3.01348252 
Hf       4.63710161       2.74317092       7.73527055       1.95949177      -2.84037411       0.69645274 
Hf       4.94882995      10.37576408       4.89261745       2.32233756      -0.81652867       1.98045971 
Hf       2.48451575       2.57087069       0.12099482      -0.11806453       1.61303997       0.10137415 
Hf       2.08132161      10.42041802       2.46289153      -1.27021382      -3.18258295      -1.60841256 
Hf      10.19533255       2.69192255       2.50882643       1.44991153       1.77768933      -1.71216995 
Hf       2.33897863       0.10277065       7.88654105       2.67611964       1.11062213      -2.93197538 
Hf       7.84673234      10.26305305       7.45968378      -3.89415065       0.66838907       4.17763065 
Hf       2.45541814       5.28544199       7.60367829       3.13955076       2.08000625       0.39477942 
Hf       4.96549319       5.21126594       5.10819689      -3.68709750       0.64722997      -1.08818125 
Hf      10.45212369       4.98226339       5.14840385       1.30883997       1.25705965       0.68126205 
Hf       2.63066398       7.92901488       5.46279300       0.19972447      -1.56748040      -2.75221897 
Hf       5.05116625       5.33892647      10.39211417       4.74756437      -1.13202961       1.41894644 
Hf       5.13372343       7.58049241       2.43696131       1.98415227       1.30222946      -0.92278093 
Hf       5.68344499       7.48935012       8.01422189      -1.52938592       1.04873293       1.98267326 
Hf       8.12384717       7.73301624      10.19104706      -3.36287716       2.77230729       1.38261775 
Hf       7.62659121       5.14124957       2.23821644      -0.17420976       0.21706870      -0.98341060 
Hf       2.46427956       5.28359334       2.72788064       2.38909795      -2.56053631      -0.96235818 
Hf      10.11261293       7.67646903       2.85508433       3.94076274       0.93478382       0.78892324 
Hf      10.37077337       5.26016308      10.35694365       2.81602866      -1.92634388       1.21659117 
Hf       7.64385395       2.58300175       4.64332848       1.51371923      -0.90358606       1.37049944 
Hf       0.18137684       7.71819212       7.87309711      -2.49296418       1.47763579       0.87706120 
Hf       4.69677172      10.26089649       0.14382746       2.51612028      -1.56822030      -1.14895865 
Hf       2.57633635       7.36549102       0.08103539       0.73664911       2.86757035      -0.20400176 
O       0.48560897       9.31191232       1.54050459       1.92089660       0.08694829       3.11579927 
O       1.33751913       6.49322378       1.35761884       0.37693353      -0.16063812      -1.24218316 
O       1.40317486       1.53793525       6.38174860      -1.91717225      -0.15614205      -1.14412788 
O       1.10143086       1.28997516       3.46861632       1.38861558       0.17705971       1.44026507 
O       4.24041809       3.42310813       0.64268873       1.85482711      -0.17857936       1.49885834 
O       0.73248077       0.57479219       8.65809351      -2.10664015       1.92190902       0.27954932 
O       4.17579338       3.82759055       3.70352390      -1.57417233      -1.86211015      -1.13022483 
O       6.88729631       4.07747871       0.61955414      -0.79498419      -1.34490374      -0.65677170 
O       3.48761771       1.17395566       4.17749822       3.53185944      -3.39638627      -4.05754332 
O       1.39412851       3.81836773       4.06222873      -2.69010987       1.07349528       1.95148512 
O       0.99769596       1.41307055       0.55481515      -1.55377831      -1.90965911       2.13238943 
O       1.11658958       6.05351297       3.69185084      -7.07038809       3.11397558       1.01694018 
O       3.42147938       0.95692205       1.35650744       2.33846835       0.60923681       0.13453484 
O       1.03372083       4.38351919       6.99379136      -6.91463338      -6.81137344      -2.02889666 
O       1.22063606       9.11242330       6.70337775      -0.47967777      -0.30542534       0.67190700 
O       6.60934627       1.25512345       3.62651276      -3.36443014      -1.04201047       1.36871795 
O       6.53440566       9.30515398       9.05985315       0.27554872      -2.27845583      -1.56469254 
O       9.36569770       0.51461688       6.49220584       0.33861884       2.80138450       1.11141540 
O       3.78515932       5.25173046       8.99701188       2.72085917      -1.92196315      -0.78979174 
O       3.37162311       9.64556221       9.25796104      -0.07076341       0.05471566      -0.50531948 
O       1.62374919       3.65245031       1.87145107      -0.03913156      -1.18222307      -2.24278211 
O       3.57433195       9.61673893       5.85437206      -2.21363361      -0.65000324       2.87798267 
O       0.60197459       8.59449178       9.71120653       4.71699494      -1.98232577       0.28375716 
O       1.71514193       6.64275302       8.89937532      -1.83038855       0.13574217      -1.30895163 
O       1.36821378       8.84891149       3.97875890       1.07711306       1.36714513      -0.08460187 
O       3.39513617       6.40225366       4.21400726       0.56028326      -0.67761636       0.51506781 
O       3.39962596       8.88268079       1.26682613      -0.74228712      -0.48689996       1.23485134 
O       4.68682224       8.45476863       4.06771061      -3.44549861       2.42716047       1.89653990 
O       1.92956485       4.10132668       9.66752470      -3.90636407       3.03298140      -0.34606987 
O       9.41706005       4.35898182       1.35018355      -0.31895877       1.18095354       1.90451641 
O       6.83343128       1.63696423       6.48636811       1.12999907      -1.43203189      -2.66189948 
O       6.74236885       3.34156157       8.31165842      -0.57552210       2.10217705      -0.16420706 
O       4.23476456       1.30544640       6.58398363       0.04520075      -1.26069822      -0.29964568 
O       3.63437079       3.73519745       6.21299714       0.01798799       2.19847081       0.80265139 
O       9.60422355       3.83116057       9.41222080      -0.34571450      -1.79800417      -3.64321614 
O       9.01611940       6.44423443       6.64081949      -0.39182942      -3.65591880      -1.85124642 
O       9.03123667       3.33974767       6.31295113       1.07126468      -0.21083261      -0.19607815 
O       8.61377313       1.52441312       8.78708032       1.45561775      -1.33811031      -1.40422665 
O       6.34706769       1.08128636       1.17596601      -3.97543991       3.05408779      -2.57022548 
O       8.85326250       1.84714908       1.41326805      -2.12772118      -1.44416284      -2.13973494 
O       5.96410305       9.05170416       1.12526868      -1.13597656       1.29656480       0.36611264 
O       8.74939886       8.56441736       7.01439910       0.33255438       0.04026895      -3.71602719 
O       1.18030980       6.35286293       5.96034621       0.76079709       4.02291771       2.56122791 
O       5.95363036       6.09702557       6.62126685       2.77809966      -0.37256100      -0.89772097 
O       9.44960114       6.65483792       9.35655108       0.55882163      -0.60216144      -2.17928080 
O       6.64432295       4.11925769       5.28358183       0.88085361       0.40708816       3.27004345 
O       6.34720794       8.95853709       6.31319991       0.85878296       0.00908762      -0.57692382 
O       6.74785638       6.02035951       8.98276142       0.38494778       1.81249716      -0.96322884 
O       4.67322769       7.31209456       9.85952818      -1.33975895       0.89254508      -0.88292990 
O       6.67661536       6.53701248       0.98101388       0.34950734       0.24650478       1.61602721 
O       9.13593290       7.10188920       1.38371914      -0.87796769      -1.13964644      -1.89633679 
O       9.39759721       1.27763143       3.67566643      -3.20493748       1.10225880       3.60177920 
O       9.42367762       9.43546780       3.75735586      -2.21764958      -3.21922416       1.56431740 
O       8.42180984       9.58279474       0.72017901      -0.14930047       0.40339025       1.36903277 
O       6.54011110       3.58461855       3.07121335       2.34569615      -0.64785930      -0.89338754 
O       5.76463015       5.86823904       3.51183963       3.02273814       2.14795248      -1.58613940 
O       6.69003596       8.87276187       3.33640393       2.97405408       0.32032392       1.67662229 
O       9.26372761       9.37474845       8.97107685      -3.05777614      -0.90325450      -2.44875550 
O       8.56767036       6.52603595       3.81347123       1.02607196       1.15239542       0.89707845 
O       9.12453594       4.04700470       3.90205746      -0.77453030      -1.53909844      -1.14497297 
O       4.09272598       6.06525385       1.58612875      -2.47270265      -0.24485667      -1.49414140 
O       2.84800865       2.24232327       8.51051758       0.99865175      -1.76405008       1.06305783 
O       5.74631880       1.41597209       9.21781877      -1.93090561      -0.92591570       1.21832585 
O       3.63399065       6.80678433       6.81453497       0.89633861       0.84171206       0.68306761 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.047889039955962394 0.0027481623454232345 0.0015184286541300655 0.0027481623454232345 -0.0056512499261654435 -0.009925261917790182 0.0015184286541300655 -0.009925261917790182 -0.027813373014861063" pbc="T T T" energy=-930.72751325 free_energy=-930.72833627 config_type=crystal 
Hf      10.22239196      10.17509521      10.43569930       2.15476136       0.25545577      -1.66618515 
Hf       5.25509001       2.36348765       2.39397443      -4.33604619       1.40296416       4.55212160 
Hf      10.21180268       2.36683945       7.62460514      -0.97241783      -4.09321526       2.20920821 
Hf      10.43332943       0.13309657       5.10134917      -0.92072335      -1.84745052      -0.92355002 
Hf       7.62048146       4.46188696       7.04745251       0.64478070      -1.33627617       8.37873646 
Hf       7.85070457       7.74496089       5.19194449      -4.39284823       0.17657722      -0.61239330 
Hf       7.42442797       2.24546188      10.06994778      -1.34152096       1.47595746      -3.30106231 
Hf       7.52070047       0.04136807       2.29315803      -0.47858270      -1.50949630       0.61301657 
Hf       2.34531633       2.50426473       4.77892511       4.35607265      -3.92131834       0.75470115 
Hf       4.62243041       2.79564730       7.74010656       0.96075265      -3.52732946      -0.99132693 
Hf       5.02863807      10.38308068       4.95606963       1.59960744      -0.56127914       2.19889059 
Hf       2.60141807       2.72273651       0.16253150       0.46098446      -1.43962189      -0.34736942 
Hf       2.07672402      10.30533513       2.41210220       0.71435773       0.62369061       0.26756646 
Hf      10.26099455       2.79151210       2.45074666      -0.07402753      -3.25943130       0.66505990 
Hf       2.52445623       0.02099059       7.77105470      -0.21018078      -0.61775154       0.32048498 
Hf       7.78082238      10.29508307       7.42763502      -1.21002298      -2.54220388      -1.81208499 
Hf       2.46191995       5.28971398       7.75593334      -3.16372396      -0.58788357      -3.43086444 
Hf       4.87314415       5.15209705       5.06842177       1.74504176       2.05286998      -0.69406257 
Hf      10.37734709       4.93758308       5.24363570      -3.74863988       4.97976906       4.30935652 
Hf       2.77352960       7.97290133       5.43003307      -2.19463217       0.79746707       1.23266491 
Hf       5.11508376       5.29944346      10.40580427       4.78553016      -0.31764384       2.97596122 
Hf       4.99930644       7.57238424       2.42090072       3.38036246       2.73770004       0.59010245 
Hf       5.70468970       7.52295113       8.00348765      -1.80908510       2.00558591      -2.09195158 
Hf       8.16759191       7.75191254      10.16790074      -2.45829846      -0.51523912      -0.00375933 
Hf       7.62097117       5.11844560       2.18250141       0.56511977       1.56866968       0.24180202 
Hf       2.38832540       5.24797373       2.84479919      -2.08531633       0.64852242      -0.60454201 
Hf      10.09764847       7.69094619       2.94019567       2.56578895       2.31252980      -2.34231327 
Hf      10.33260597       5.13429583      10.41538608      -0.21140749      -0.14808981      -1.53782877 
Hf       7.61485849       2.70727018       4.67282809       1.13849024      -4.02475073       1.52359438 
Hf       0.03791664       7.59917636       8.01944295       0.69398657       3.16657208      -3.62547843 
Hf       4.75979353      10.34639173       0.19663049      -1.68543236       0.76164051      -2.99425511 
Hf       2.57600865       7.33967875       0.08025472      -1.73484220       3.97499313      -2.04650936 
O       0.66017566       9.08498323       1.58893327      -0.25274930       0.26469869      -0.68216304 
O       1.24235772       6.21416224       1.36018432       1.67417816       0.09499643      -0.64445196 
O       0.92996918       1.60279104       5.96843847       4.17273484       1.35562313       0.71855279 
O       1.16836106       1.41716985       3.55262223       0.33078359      -0.30580362       0.12534592 
O       4.53945123       3.42798831       0.81655545      -2.47011023       2.17728205      -2.14830156 
O       0.92058194       0.79259591       8.90237452      -2.21433193      -0.12019889      -0.13455292 
O       4.15917546       3.51639295       3.71096013      -2.89322047       2.70801539       1.21542310 
O       6.97404017       4.07249795       0.50744429      -0.45123542       1.47354129       0.46891286 
O       3.85742529       0.98157058       3.74591661      -2.74152621      -0.01358885       0.29319898 
O       1.17736199       3.95981361       4.35906314       3.15740348      -1.54812257      -3.55497823 
O       0.80837862       1.10968932       1.10663246       0.44911193       1.10394439      -0.24339248 
O       0.64701211       6.38978968       3.97741441       1.27600574      -0.96942221      -2.19033258 
O       3.52615760       1.19668595       1.45406069      -0.13371683      -0.24651662      -2.82842494 
O       0.67859429       3.92794435       7.26445409       6.23729573       5.54030028      -2.18875683 
O       1.24047684       9.18218544       6.72867634      -1.52217210       0.18823323       0.39492060 
O       6.16346302       1.25228502       3.88114107       3.30510338       0.35403855      -1.66188730 
O       6.51240927       9.25708576       8.89732489      -0.77722870      -1.38657850      -0.17027082 
O       9.27185974       0.96479305       6.43173779       2.24839198      -3.20178073      -2.01591622 
O       3.86137146       5.01660644       9.06567529       0.46610568      -1.45509331      -0.91745085 
O       3.20321306       9.39760621       9.31355949       0.74303981       2.60827555       0.23839691 
O       1.89379410       3.56494084       1.80200919      -1.45254849      -0.42302151       0.85356574 
O       3.45015447       9.70218184       6.06496467       0.71883399      -0.49141816       0.62062376 
O       0.87774347       8.45509696       9.58602555      -1.67490608       2.40890495       3.17194180 
O       1.92548848       6.91307728       8.62776519       0.12572173      -2.06746273       2.17396624 
O       1.54708438       9.16696518       4.04728226      -0.29362321       0.12334778      -0.17284995 
O       3.14812463       6.36920067       4.24322983       2.36843830      -1.67341352       0.01626013 
O       3.67696089       9.07581965       1.72749111      -3.00450997      -1.23322837      -0.77462745 
O       4.58063950       8.50071996       4.21953529      -0.96638937      -0.75015668      -0.62847332 
O       1.53984470       4.25262262       9.72307939       1.02504003      -0.20726469       0.24818335 
O       9.43237755       4.12182390       1.29468663      -0.30622313      -0.33668120      -0.37615123 
O       7.13534901       1.25717681       6.25002603      -2.80756508       1.25364572      -1.40856387 
O       6.30916121       3.58991591       8.27866027       0.09414680       0.74498101       2.42282360 
O       4.31485705       1.29360495       6.44267434       0.13081385       1.46767429      -0.18687205 
O       3.74860036       4.02978958       6.27534743      -2.37504011       0.29054740       1.35779692 
O       9.46979086       3.74042814       8.90855920      -1.98627501       0.33437777       2.39262846 
O       8.39084244       5.75962867       6.19219054       5.42041809       7.50265130      -4.51768959 
O       9.27311212       3.55786349       6.21036520      -3.92929116      -2.61428377      -1.75033007 
O       8.48908416       1.28615678       8.43267375      -0.74265187       2.66741675       5.74554064 
O       6.20249075       1.45233429       1.10896066       1.94604951      -3.87313823      -1.52032529 
O       8.53112699       1.42661863       0.93996628       3.10843648       0.50591783       1.26559709 
O       5.92128091       9.26755928       1.11489490       2.45340984      -0.42364688       2.34353392 
O       8.92441602       8.38130439       6.51795384       3.05663975       1.14943295       1.29555630 
O       1.14082836       6.53287247       6.26507329      -0.69330079      -1.59984896       1.64084228 
O       6.08836950       6.28940762       6.28786867      -0.98833255       0.98737005      -0.24759791 
O       9.43174382       6.42795656       9.20539623       0.28617570      -0.02495016      -0.66385019 
O       6.42470209       3.96329593       5.75847393      -2.81806989      -2.13944741      -3.56451377 
O       6.48000644       9.03708278       6.17328272      -1.11048042      -0.11597788       0.82645545 
O       6.98971205       6.26768649       8.68817787      -0.83077660       0.44312304       1.76053589 
O       4.42099824       7.58682247       9.87668239       1.58547510      -3.95502320       0.12770895 
O       6.62483007       6.81515991       1.01240495      -0.73543188      -1.57181132       0.19061219 
O       9.21514581       6.66630846       1.20463272      -0.46159125       0.60718674       0.06825592 
O       9.10354482       1.66646646       3.73426826       0.46699523      -2.89556563      -0.74926448 
O       9.02521107       9.26844054       3.87903537       5.86980354       0.91424021       0.82601906 
O       8.42456862       9.53676292       0.65127060       0.67577351      -1.34675036       1.31367730 
O       6.74361883       3.64413544       3.23013725      -1.85552093      -0.44759555      -2.72131650 
O       5.85797547       5.93832522       3.36861827       0.71709621       0.41154151       0.41035288 
O       7.09352325       9.05956125       3.49939019      -4.83854725      -0.92883287      -0.84202192 
O       9.01100760       9.04361411       8.69564917       1.93085381      -0.66126940       2.38701497 
O       8.73714252       6.76362664       3.77113827      -3.03014831      -3.58762038      -0.60993745 
O       9.00705870       3.95335167       3.59179742       1.38607850       2.82516115       1.22137052 
O       3.95773628       5.92188460       1.68604150      -0.95375550       0.85351243      -2.29049854 
O       2.95910213       1.90866982       8.39924345      -0.00272315       2.57676213       2.87284833 
O       5.45483608       1.60081293       9.33304546       0.01936414      -1.61380774       0.34643431 
O       3.66002407       6.94104108       7.00863766       1.24770671      -0.49468565      -0.67405555 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.019725328181495833 0.0036093599637676103 -0.013374506768985554 0.0036093599637676103 -0.013020532548767049 0.00689307770231071 -0.013374506768985554 0.00689307770231071 -0.02160765405047159" pbc="T T T" energy=-928.63825563 free_energy=-928.63855173 config_type=crystal 
Hf      10.23634226       0.02028978      10.28144886      -1.62816840      -2.02654903       2.65301686 
Hf       5.00532514       2.36943894       2.50302857       0.68776383      -0.62309032       1.82930574 
Hf       0.00117368       2.34851261       8.02216050      -9.08314503       9.00717497      -6.22029846 
Hf       0.13032983      10.38891350       5.47199028       1.88697284       0.08137165      -0.95632907 
Hf       7.69282362       4.88357392       7.93346616       2.20470875       3.69569598      -0.46724440 
Hf       7.99678960       7.56136679       5.08310334      -0.66093589      -1.23631998       4.76859271 
Hf       7.55296819       2.27769181      10.46376996       0.48823150       2.00396838       0.35714117 
Hf       7.78953592       9.81958874       2.24086156       1.79215753       1.06382305       0.33493198 
Hf       2.47124973       2.24584944       5.00440631       1.84265703      -1.92904369       0.51549704 
Hf       5.28249502       2.76336923       7.90224224      -1.79143858      -2.88079086      -1.40211879 
Hf       5.26116417       0.05060345       4.96258254      -2.13887956       0.42471455      -0.88046454 
Hf       2.48173184       2.57027422      10.24036881       1.46409587       3.16104881      -0.05748649 
Hf       2.50797908      10.45868516       1.82334276       4.14900563      -4.53737041       6.97446139 
Hf       9.91424296       1.93539746       2.83047264       2.07016839      -0.93648328       0.82601581 
Hf       2.55036594      10.31070984       8.21684156       2.43356707       1.20851173      -4.32435790 
Hf       7.68067142       0.13591742       7.51435283      -1.27051457      -2.83610408      -2.05686118 
Hf       2.28984411       5.17619307       7.52590689      -0.27644708       1.45354794       1.46489066 
Hf       5.12776952       5.36954366       4.90578854       0.99051275      -1.57213076       2.34740755 
Hf      10.45577535       5.07709396       5.10338684       2.09693581      -2.09406753      -0.52145119 
Hf       2.68024478       7.87780607       4.98947261      -0.22932122       0.25242464      -2.89983227 
Hf       4.57903200       5.09041220      10.21300692       0.61182806       1.86615543      -3.29810943 
Hf       5.23464649       7.88793976       2.41451623      -2.99395170       1.71248856      -0.65663492 
Hf       5.17867283       7.60076314       7.54077014      -0.32221729      -1.60513115       0.66680354 
Hf       7.38356531       7.77852296      10.10420397       1.16226929      -1.90378060      -0.65768776 
Hf       7.57442233       5.38336051       2.74193738      -1.22670674      -1.99014224       0.40765152 
Hf       2.29676573       5.15327209       2.38877241      -0.63476497      -2.03301511       1.19274749 
Hf       0.06792721       7.94132554       2.68829015      -0.12032982      -0.79449374      -1.80178285 
Hf      10.34221509       5.24153701       0.08742375      -2.14121934      -0.95885490      -0.14464300 
Hf       7.84241964       2.38749198       5.31425659      -1.02322619       1.83028277      -2.55653312 
Hf      10.41293803       7.93777676       7.64071178      -1.09639249      -1.86941889      -1.88576234 
Hf       5.33035413      10.44695957      10.09373296      -1.58193015      -1.66884856       2.44078728 
Hf       2.41132718       7.72314651      10.19643097      -1.51456258      -0.18129336      -1.11027796 
O       1.52760647       8.64378339       1.62745056       0.94211927       3.95577094      -2.03590373 
O       1.26360777       6.52807225       3.24163270       1.01572393      -1.90688633       1.34097980 
O       2.87387210       0.29155693       5.96951722       0.58401236      -0.74328182       1.01876868 
O       1.01069665       0.76318986       3.70174475      -0.26282399       1.61178060       0.36728771 
O       0.88825174       3.96108023       1.58518313       0.63109786      -0.23059858      -1.99177189 
O       1.43934793       1.66157812       8.62068239       7.81505822      -4.82725970       4.57103572 
O       3.77194804       3.76264233       4.09841415       3.17930360      -0.06041635      -1.36170485 
O       3.66472852       3.92553691       0.98915669      -1.11933550      -1.62858876       2.35033219 
O       3.61857949       0.74402981       3.77783559       0.29976227       4.22554460      -2.42511913 
O       1.45656410       3.87165587       3.85038478      -0.42064883       0.13905134       2.13570397 
O       1.53060702       1.05018971       0.64038523      -4.11803162       1.44463800      -2.16812333 
O       3.50789963       6.59693922       0.73290738       3.05429338      -2.03117437       5.08672108 
O       3.94514000       1.25120271       1.02698070       0.99338296       2.95131939       0.14508228 
O       8.39070450       0.75304874       4.02575758       2.74702241       1.10776309       0.34113014 
O       1.36107143       9.32268089       6.96797878      -3.29936771      -1.85566917      -1.61761240 
O       6.19613264       1.47737530       3.90815862      -1.55224283       3.33214902      -0.97138921 
O       6.24663896       9.07619549       8.65443851       1.75110569      -0.99984641       0.99003007 
O       0.80615633       1.80963769       6.22122608       1.39675498      -1.46698424      -1.58414988 
O       3.37939626       6.23411008       8.94048300       0.39449576       1.19580964      -0.36572539 
O       1.40391514       9.31850686       9.47855589      -2.57031519       2.06693677       1.17087485 
O       9.25204387       2.00158707       1.00394396      -1.20677877       1.08395557       0.02476269 
O       4.47008608       8.13655565       5.82811101      -0.06395502       1.85278720      -0.49180265 
O       9.35615263       8.88636144       8.83208435      -1.70992148       3.58614683       0.16742983 
O       0.76828878       6.74107962       0.89528032       0.39859239      -0.98382784      -1.63034554 
O       0.84270326       8.53693982       4.34203578      -1.32059888       3.00965821       2.45896986 
O       4.13555178       6.44471399       3.59832624      -2.31325568      -0.22350492      -1.00495768 
O       3.98311859       9.41179158       0.73457548      -3.02999878      -1.73376437      -0.49870009 
O       3.11025803       9.00575702       3.38101580       2.40870280      -2.17191785       0.67601824 
O       1.29386451       4.16593276       9.55869076      -0.27596518      -1.47995261      -0.99184867 
O       6.55208391       3.60025579       1.88556746       0.14400729      -0.10243061      -0.35188711 
O       6.29920388       1.27095232       6.25636970       2.82755738       2.11251314       2.72285547 
O       5.79528272       3.29634361       9.72506138       2.23917728       1.54522070       2.91073620 
O       4.11960339       2.30409908       6.55157431      -4.40886433       1.21388194      -3.69905036 
O       0.84963638       4.10286218       6.65133332      -0.05847787      -0.78792199       2.08188161 
O       8.91367424       3.87073222       9.38875202      -1.30058354      -0.38616625       0.41258867 
O       8.57569082       3.53438299       6.81501893       0.55064703      -0.13894074      -0.11090429 
O       6.09544821       4.16941298       6.92290305       0.20785068       0.40834437       0.56430940 
O       6.40061780       1.05663521       8.76968089       3.97061998       1.92715780       0.87535602 
O       6.58164475       0.74157590       1.26582148       0.57043177       3.53356519      -3.43217281 
O       9.13711317       1.46138682       9.27999219      -0.53878164      -3.61651869      -0.96920420 
O       6.19050768       8.89313223       0.93384554       2.41203623      -0.27412369      -2.01594704 
O       9.21196503       8.92668038       6.21137100      -0.16764264       0.89148986      -1.01100786 
O       0.90113291       6.64014013       8.68719373       1.91742511      -1.41528637       0.58342859 
O       8.71181673       6.39316115       9.46620849      -0.33110534      -0.01288783       1.20383832 
O       9.28140104       5.33868187       2.07676139       1.06068602      -0.00453789      -4.07698022 
O       8.98161537       6.27407830       6.82894389       1.74293842       0.58075453      -0.78868939 
O       6.66076901       9.54462733       6.00686167       1.89276373      -2.71900554       0.86697694 
O       6.03275860       6.27216257       9.33536655       0.39338937       0.69793870      -1.23278337 
O       3.85325084       5.81122609       6.41912486       0.49325675      -0.53491940      -0.22968775 
O       6.67335012       6.63673150       1.37077004      -0.02223260      -0.71422955      -0.17556286 
O       9.08712733       6.05358456       4.19558130      -2.45603539       2.37768249       0.60605696 
O       9.72369512      10.44916291       2.10409900       1.77933155      -0.30648810      -0.91844827 
O       8.75523471       8.44688759       3.56563423      -1.30025444       1.47623316      -2.27568828 
O       8.91239507       9.08188398       0.52729228      -2.42112069      -1.30511169       1.16013523 
O       7.01750944       4.32162334       4.61219122      -1.53401186       0.34855372      -1.64756660 
O       6.37911373       7.04424242       3.73832789       2.74954013      -1.35106642       2.95165743 
O       6.03342854       9.78254509       3.09107254      -2.43784401      -3.50115003       3.19162950 
O       9.24412954       1.23918877       6.77618064      -2.92276086      -3.14338439      -0.99206837 
O       1.46148426       6.35301459       5.70915929      -0.31659010       0.38730560       2.02730116 
O       9.46105567       3.32243616       4.08818637      -1.71606933       0.02397437       1.88083907 
O       3.68396456       8.73853432       8.49612331       0.08028814      -0.19770985       0.72994209 
O       4.09581152       1.02502457       8.81663352      -1.91107786       0.19769256       1.74975044 
O       3.57177339       3.90927924       8.76672482       0.88670114      -1.94013357      -0.31214462 
O       6.57843466       6.48198172       6.56635112      -0.56775762       1.49489852      -0.87541163 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014428125307718885 0.008745367095048303 -0.02014784786578756 0.008745367095048303 0.005340807723013306 0.009914069737248286 -0.02014784786578756 0.009914069737248286 -0.009824311143761762" pbc="T T T" energy=-932.55599313 free_energy=-932.55612824 config_type=crystal 
Hf      10.06662518       0.09953723      10.43394108       4.44721665      -1.30197829      -0.68872355 
Hf       5.30777979       2.50313187       2.63704167      -0.06220696      -3.14521908      -1.36741465 
Hf      10.24372637       2.69111780       7.86672309       1.32717279      -0.22099852      -1.68271893 
Hf      10.31738414      10.29478468       5.36304080      -0.57180030       0.36662593      -0.92259125 
Hf       7.32019425       5.03311750       7.54491131      -0.00244689       0.41847862       0.12781003 
Hf       7.83205883       7.80611961       4.97990923       2.05756956      -0.15781823      -0.27152008 
Hf       8.00233626       2.44000038      10.20325515      -0.69116076       0.08204443       1.02510330 
Hf       8.01325209      10.24569025       2.63896033      -0.54481203       0.21656745       2.99369615 
Hf       2.52632759       2.16928134       5.26364623      -0.54326309       1.93449473      -0.41940954 
Hf       5.08840761       2.21535638       7.77671116       3.23465366       1.24569433       0.86304830 
Hf       5.00616494      10.14166669       4.94947404       0.23129464       1.90075213       0.86165003 
Hf       2.21999772       2.17389944      10.11106373       0.58398139       0.52175600      -1.55359872 
Hf       2.28118878      10.45913092       2.60805909       1.05123788      -1.27647766       3.26068397 
Hf       0.09504921       2.89595662       2.13331916      -4.16424094      -2.12034577       4.20323803 
Hf       2.24428537       9.89265454       7.62044702      -2.32394271       1.91556316       4.53391224 
Hf       7.78796504      10.34431901       7.80103890      -0.99516020       2.23511006       0.19798351 
Hf       2.70982163       5.06562207       7.95323032      -1.31540023      -2.55187543      -1.50373457 
Hf       5.04025671       5.30118535       5.12376003      -1.58803847       1.20682208      -0.69336124 
Hf      10.12012924       4.80441774       4.94907674       1.40377959       0.10511914       0.71442193 
Hf       2.51395947       7.58280178       5.12511153      -2.65128458       0.45952084      -3.18426877 
Hf       5.05319576       5.45644661      10.07171102       1.10071436      -4.94625400       1.15989713 
Hf       5.14620657       7.57133103       2.31325009       0.96364355      -3.09370615       3.65398535 
Hf       5.21842021       8.08616058       7.84972818       0.62368454       1.66749087       0.75153759 
Hf       7.85881986       7.87878298       0.03353025      -2.10125994      -0.65887882      -2.00236316 
Hf       7.40997352       4.86662172       1.86296916       0.86453886       4.87972315       1.53393475 
Hf       2.33625260       5.04134038       2.72800561       0.38559578      -1.26365981       0.64109094 
Hf      10.37284579       7.91451972       2.40766694       0.37280689      -4.04670588       2.99375776 
Hf      10.20116536       5.49249325      10.40306202       0.91675976       0.23963955      -0.58502455 
Hf       7.47293200       2.63097776       5.02760004       1.93916051      -2.89312295       0.94324133 
Hf      10.00752433       7.57545450       7.93657347       1.04102751       1.81765652       1.92352196 
Hf       5.45791272      10.29182568       0.44445744      -0.32892573       1.19176806      -3.05456959 
Hf       2.70979882       7.76237843      10.27262711      -4.47045235       0.32351358       3.34472237 
O       1.54716957       8.50194786       1.74298673       3.62030325       1.34396070      -0.33128121 
O       0.89046210       5.62961984       1.57885735      -2.49491932      -0.30437566       1.78969384 
O       4.37540412       1.72060215       6.09019533      -1.74626772      -2.26350211      -1.77690489 
O       1.26286017       1.19165620       3.92894722      -1.98705958      -1.58324038      -1.86490054 
O       1.78354504       3.17893346       1.41843793       4.04740510       1.32849510      -1.12540970 
O       1.09981990       1.24043655       8.46386104       1.02929422       1.26968651       2.13447997 
O       4.18661470       3.83051732       3.27416887      -1.80369526       2.63282870       1.69730937 
O       6.06362479       3.90373467       0.94764094      -1.37953129      -2.18053641      -1.54683355 
O       3.68598904       1.08691811       3.59434982       0.14601933      -0.26472325       1.60677242 
O       1.11617868       3.49606864       3.88200066       1.09763107       2.60747895      -0.05383346 
O       1.42262263       0.52198676       1.06102526      -1.83945382       1.61062341      -3.25975209 
O       3.29129001       5.90260031       1.04599391       2.18913941       1.05893455      -1.31456305 
O       3.92724677       1.19473515       1.23640476       1.57520534      -0.73467075      -1.48894766 
O       8.43516638       0.91153987       4.48310854       0.63373978       0.41121673       0.42833917 
O       0.70478156       8.81970064       6.78970611       1.43086801       0.19619460      -0.86270827 
O       5.91711002       1.29630135       4.21944508       2.08615400       2.39050727      -1.37018831 
O       6.38726083       9.16429724       9.27581806       0.02752619      -3.53996113       0.41033242 
O       1.82414039       0.49172060       6.04376004       0.29425457       0.49368176       0.21069111 
O       3.93185462       6.59485812       9.06995355      -1.87680878       0.84717316      -3.22164413 
O       1.11039506       9.42819096       9.33875393       0.92295904      -0.34913477       0.42601568 
O      10.32389192       2.34437793       0.21545343      -0.74580789      -1.76561017      -2.77256623 
O       3.65581080       8.94476754       6.64281864       0.63997553       0.17909026      -2.01600128 
O       9.01940537       8.99478258       9.41795481       0.43916215       2.66864979      -2.53997714 
O       0.47902070       7.30628739      10.39872483       0.70349636      -0.97307042      -0.57733672 
O       1.09863555       8.95935062       4.24038323       2.25744034      -0.04356822      -1.03663203 
O       3.38239053       6.49289420       3.56764091       2.53097967       0.76027901       0.37640671 
O       4.29297966       8.57566287       1.01907767      -1.93620521       1.98256614      -1.85103964 
O       4.24592823       8.79773523       3.60886811      -1.71141123       1.59916469       2.11331002 
O       1.12884728       4.00834235       8.85013897      -1.31960878       0.39312382       2.78640076 
O       8.99804919       3.96730971       1.07435376      -0.68773458      -0.10912582      -1.23178285 
O       7.12343209       1.51036047       6.90810123      -0.92684611       2.39602270      -0.56415964 
O       5.70251912       4.04246655       8.66933442       2.55455515       1.48420685      -0.90266143 
O       3.64103891       4.11625117       6.35931964      -0.64731020       0.97595948       0.10989877 
O       1.24418554       3.42652095       6.53741920      -1.37013521      -0.63978189      -1.00690697 
O       8.24049862       3.83174113       8.85590752       1.61686395      -0.53547113       0.62030250 
O       8.83115380       3.59007186       6.33344112       0.02414205       1.49855023      -0.60146511 
O       5.97705016       3.89177232       6.14442249       3.33954793       0.92789708      -0.48237035 
O       6.29287434       0.80743823       9.19639509       0.11390119       4.20956086       1.18557744 
O       6.79239069       1.22450081       1.27162781      -0.04364958      -0.77958436       0.48833125 
O       9.07471557       1.23439451       8.99057601      -2.63163076      -1.10108317       2.45923144 
O       6.80731423       8.82022573       1.47099458      -2.14641896       2.49927429       1.48185696 
O       8.73398456       9.03342955       6.61178081      -0.72074461      -1.80383693      -1.78403009 
O       1.20240667       6.48573783       8.04847651       1.32172425      -0.38692659      -0.28892207 
O       8.86765572       6.52979342       9.39084149       0.71776830      -1.90624516      -1.10165236 
O       8.45233085       6.55702762       1.29968058       3.71800881      -0.98465655       2.64514776 
O       9.01547991       6.27813489       6.94772208      -1.51456152      -1.80884550      -2.14469280 
O       6.00945195       9.88674020       6.85429879      -1.21642158      -3.21832167      -0.87314910 
O       6.61588660       6.64245222       8.78575865      -2.19992718      -0.89343044      -0.93026871 
O       3.81478808       6.66810509       6.13436050       2.16437323      -2.53468346       2.41958454 
O       6.15491978       6.43782786       0.94261674      -0.40088308      -0.14857365      -0.49104011 
O       9.63801650       6.88305676       4.33447835      -2.84597609      -2.35416975      -0.11273533 
O       9.31935452       1.06512037       2.26136171       2.32671227       2.05943495      -3.08105230 
O       9.25808109       9.01382270       3.76667779      -1.85745146       1.78548454       0.36258729 
O       9.30515209       9.08151818       1.36214296      -1.55910628       2.45994993      -2.42092794 
O       7.05283705       3.79178306       3.31604100      -5.29898107      -4.73227484       3.30705863 
O       6.36357718       6.21146803       3.64179844      -0.12519015       0.78254719      -0.84049845 
O       6.67222814       9.33378155       4.09407853       0.62156776      -1.62875054       0.62877937 
O       9.67867287       1.02669801       6.84815042       0.51096835      -0.82292622      -1.67961858 
O       1.30862499       5.98342439       4.64128903       1.37662342       0.05023886       0.25326144 
O       9.10688542       3.88028117       3.58237774       2.62230116       0.47576265       0.50970215 
O       3.76385359       8.99560198       9.27539815       0.70400807       1.88861274      -3.39013269 
O       3.65371274       1.46798346       8.72382209      -2.11907382      -2.02759045       1.45579766 
O       3.59850605       3.87349614       9.38425030      -1.94883624       0.93215240       0.97676035 
O       6.37667982       6.83390320       5.99671280      -0.55119805      -0.82979799       2.14676311 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01104289480342416 0.005841708628432385 -0.017132375315958674 0.005841708628432385 -0.0006774172434610027 0.007181419795187665 -0.017132375315958674 0.007181419795187665 -0.010421639657719316" pbc="T T T" energy=-934.61040976 free_energy=-934.61048608 config_type=crystal 
Hf      10.07017741       0.07683039      10.42304357       5.57553886      -0.38738794       0.05566919 
Hf       5.26862762       2.48878993       2.65450923      -0.68658202      -1.81971084      -1.07509354 
Hf      10.24814960       2.66416399       7.87564951       1.06301422       0.94513808      -1.37648557 
Hf      10.32838914      10.30201410       5.37315701       0.07525761      -0.82018272      -2.62547816 
Hf       7.30102153       5.07599700       7.56870150      -0.31063950       0.89249245      -1.27179133 
Hf       7.83376315       7.83014519       4.98494200       0.51549617      -1.56179722      -0.27794431 
Hf       7.99136298       2.42154701      10.23338838      -0.69249907       1.60453394       0.75493789 
Hf       8.03688917      10.26175691       2.65129203      -0.92260564       1.00447846       2.21133527 
Hf       2.53825947       2.12735060       5.27385172      -0.90874303       3.24496110      -0.39665663 
Hf       5.06800407       2.19297221       7.75124145       2.71192129       2.46291051       2.23959831 
Hf       5.00107513      10.13562120       4.91997673      -0.98522629       2.19282803       1.39810219 
Hf       2.21694347       2.14465458      10.11789240       0.23249184       0.49208392      -1.16017227 
Hf       2.24633298       0.00122318       2.62233613       1.19660435      -0.82716561       1.32815574 
Hf       0.11354425       2.89126211       2.16586098      -2.84186098      -1.53447578       1.76221044 
Hf       2.22444680       9.88860360       7.61791284      -0.98387712       1.65403616       4.48693767 
Hf       7.79314948      10.35695956       7.78403708      -1.97462873       2.93718532       0.30077354 
Hf       2.70834611       5.05406435       7.95435523      -1.14126206      -2.68573896      -2.05286384 
Hf       5.04745798       5.29447265       5.11376491      -1.54919513       1.88591269      -1.13848041 
Hf      10.13806056       4.81051796       4.96614785       1.37711153       0.14339406       0.60404475 
Hf       2.55323598       7.58929919       5.12515287      -1.01844980       0.20391494      -1.40369100 
Hf       5.05252320       5.44855834      10.07930865       0.58047330      -3.39847297       0.15006981 
Hf       5.17726921       7.61191874       2.31366623       1.85938967      -4.13496249       4.29817787 
Hf       5.22644643       8.10814735       7.82885628      -0.11215615       0.76766990       0.22938114 
Hf       7.85415779       7.89290136       0.04491622      -2.40246901      -0.33675161      -1.49199646 
Hf       7.42227591       4.88505500       1.87098114      -1.31894799       3.67284950       2.57749304 
Hf       2.34416045       5.07645061       2.71509702       0.70913645      -1.22483081       0.86724219 
Hf      10.38383352       7.86459511       2.42607720      -0.85375396      -3.21883801       3.34970035 
Hf      10.17039839       5.51450137      10.41378558       0.73892363      -0.90129634      -1.02913289 
Hf       7.46909363       2.62060544       5.04991492       0.79029537      -2.15013694       0.14839127 
Hf       9.99124248       7.58064710       7.94081835       1.11021323      -0.22148683       0.46819281 
Hf       5.46337817      10.31420775       0.41423911      -1.24317784       0.07788233      -1.85969701 
Hf       2.69831802       7.73544659      10.25340687      -3.45277405       1.03745102       3.00145916 
O       1.51184657       8.56417496       1.86237719       4.00223209       0.95412614      -1.31470402 
O       0.89469473       5.66389319       1.49009948      -1.72714055      -0.68469542       2.70900716 
O       4.33521601       1.75363881       6.12174967      -1.72785238      -2.54983397      -2.04915515 
O       1.30590598       1.14863897       3.96802937      -2.66570891      -1.90464446      -2.65184926 
O       1.85805224       3.16414033       1.37095760       2.15425187       1.61848151       0.10384610 
O       1.08247553       1.28555236       8.54175322       1.01796397       0.04504025       0.98606477 
O       4.11781472       3.97147463       3.13816175      -0.03204535       0.43454059       1.25493203 
O       6.13447541       3.78885294       0.87305963      -0.85442909      -0.80626295      -1.26546860 
O       3.76692092       1.06278107       3.61371427      -1.54579668      -0.34497447       0.52323063 
O       1.20436144       3.37155487       3.82681710       0.88829142       3.69598186       0.30035965 
O       1.49447016       0.50172106       0.91721580      -1.23750627       0.82167810      -0.74146449 
O       3.35082353       5.98881396       1.09601806       1.90912373       0.86085236      -1.74262797 
O       3.95041664       1.12540652       1.16276740       1.21309239      -0.11787088      -0.59798390 
O       8.38963559       0.89005852       4.47198119       0.72251751       0.44639075       0.41702881 
O       0.75227058       8.79495572       6.79015218      -0.27074726      -0.15331368      -0.73003517 
O       5.84656972       1.36032634       4.30752391       3.05359542       2.39101282      -1.48606952 
O       6.43662362       9.13369303       9.38266697      -0.59291127      -3.95381056      -0.92353710 
O       1.78690961       0.47164203       6.02131193       0.82708123       0.24682427       1.17280329 
O       3.86775815       6.61951230       8.99104228      -0.37985637      -1.10626891      -1.11837412 
O       1.10859142       9.39944094       9.36302777       0.75984673      -0.29604547      -0.42783632 
O      10.36488436       2.35875033       0.19000978      -0.95865556      -0.98375593      -1.24190047 
O       3.62174855       8.89660398       6.54834737       0.12860280       0.87480846      -1.19739229 
O       8.95746043       9.09924771       9.45034184       0.66770243       1.53996842      -3.46315042 
O       0.52109724       7.30867724      10.36424320       0.05860184      -0.84495812      -0.68184983 
O       1.12239707       8.98021049       4.23856190       1.88520553      -0.51280685      -0.51902685 
O       3.34162583       6.55296684       3.63678230       3.59658744       0.31899693      -1.14135759 
O       4.29478549       8.59699581       1.09823312      -3.43582990       2.56203593      -4.40512565 
O       4.31495041       8.81654948       3.60163806      -3.04141339       1.13358170       1.84960850 
O       1.04281889       3.95834573       8.88950936      -0.45000140       1.47567660       1.82153851 
O       8.90032293       3.95618644       1.08172363       1.33075855      -0.64860120      -2.27257248 
O       7.07868804       1.69211221       6.93605132      -0.23584523      -0.39097308       0.60948772 
O       5.83118723       4.17861664       8.62471638      -0.19272169       0.11302997       0.20223257 
O       3.58635060       4.15011383       6.34087212      -0.46441591       0.29664456       0.11201241 
O       1.26533532       3.43339211       6.45165172      -2.06010868      -0.66044174      -0.04176400 
O       8.27995337       3.83627687       8.73394813       2.20378576      -2.04755988       2.32983297 
O       8.83891815       3.53700404       6.21945384       0.90366983       1.47115654      -0.21386194 
O       5.90357074       3.88688021       6.07483733       3.86349686      -0.03174174       0.13153618 
O       6.36227079       0.71435531       9.27978318       0.42677303       5.45125827      -1.13414506 
O       6.72973949       1.15804285       1.20842745       1.11969474       0.23179208       1.82900151 
O       9.12130000       1.24077973       9.08607014      -3.59274676      -1.22892816      -0.46859615 
O       6.77111102       8.82489083       1.50151350      -0.70196210       2.19097205       1.29840828 
O       8.58694397       8.96113825       6.55787413       0.60828123      -0.79576001      -0.26534329 
O       1.25121589       6.49472683       8.05267439      -0.33211046       0.19525816      -0.47382347 
O       8.83829071       6.54436048       9.34362993       0.40158355      -1.20652924      -0.73832678 
O       8.44153800       6.61743560       1.36926982       4.56696396      -1.03682006       2.08942516 
O       8.91297793       6.17717165       6.83539903       1.41649197       0.70327450      -0.38915156 
O       5.97238778       9.89319303       6.76315849       0.20439811      -2.29203125       1.15210785 
O       6.51225876       6.71314188       8.69932092      -1.20934721      -1.04945087       0.25435082 
O       3.93714424       6.57035779       6.20806630      -0.18173333      -0.12177415       1.29148053 
O       6.23270499       6.39753383       0.96056575      -1.56563797      -0.21965452      -1.63734118 
O       9.56639787       6.83803107       4.34490362      -1.65490101      -1.38200443      -0.47183554 
O       9.29029302       1.18009252       2.19069340       1.19235577       0.63693506      -2.31801131 
O       9.19519545       9.10985940       3.76696341      -0.32483004      -0.49307390       0.53951846 
O       9.42235846       9.11668660       1.35913738      -2.34608587       2.08342775      -1.74166611 
O       6.99397828       3.67469705       3.24776077      -3.52394095      -3.96113310       3.14324050 
O       6.39418014       6.18815394       3.59024905      -0.17766453       0.65389715      -0.13569236 
O       6.54741033       9.30795295       4.12586835       3.48788974      -1.70804766      -0.48492393 
O       9.80722125       0.99323516       6.78155639      -1.34137392      -0.16767475       0.50103979 
O       1.41614144       6.00875668       4.58555118      -1.57469281      -1.30656020       0.58227745 
O       9.20253404       3.93447222       3.51503339       1.30367467       0.75325722       0.41822454 
O       3.73035808       8.95886416       9.17501704       0.68458839       1.83097731      -2.27837013 
O       3.59035916       1.43617134       8.70828198      -0.57025596      -2.16930395       0.52923503 
O       3.58614944       3.81186152       9.33251608      -0.60811444       1.43939581       0.88998808 
O       6.42248378       6.79681789       6.06899510      -0.28365660      -0.28564388       0.72580228 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0225438194273269 -0.007230091776158815 -0.006717208134410447 -0.007230091776158815 -0.015894685847609145 0.007656317855814765 -0.006717208134410447 0.007656317855814765 -0.018918011645223977" pbc="T T T" energy=-927.5544142 free_energy=-927.55504475 config_type=crystal 
Hf      10.16857351       0.00228456      10.37612998       2.94065039       3.73140673      -2.77165288 
Hf       5.08782370       2.40790452       2.70263303      -2.58152454      -0.71576642      -3.03589441 
Hf      10.27427721       2.58054261       7.90296754      -0.67844488       3.97019300       0.52980522 
Hf      10.38403311      10.30072394       5.35668531       0.52092102      -1.98008861      -1.74778110 
Hf       7.24595665       5.27127117       7.62789163       1.83322215       0.27063009      -0.97896125 
Hf       7.83263625       7.88048468       4.99018075       1.93859714      -6.08295125       1.25073428 
Hf       7.93925846       2.37165453      10.36649322       0.77628892       0.50356456       0.19753205 
Hf       8.11244058      10.35829515       2.71039612      -0.56836179       2.37980982      -0.97032909 
Hf       2.55462526       2.01286691       5.29933828      -4.44526828       6.01112059      -2.48072061 
Hf       5.00508033       2.13635886       7.68163368      -0.14244502       2.29821123       3.24860726 
Hf       4.96747538      10.15026645       4.82730355       0.99966542       1.48938386       2.53440213 
Hf       2.21223693       2.04298570      10.13812325       1.46594165       3.17760256       0.63808038 
Hf       2.13574554       0.01805336       2.67129074       3.38589333      -3.22919910      -3.16485592 
Hf       0.17134258       2.85788780       2.29622473       1.01861039      -0.18830332      -2.27122257 
Hf       2.14533185       9.88984740       7.67046907       0.66875367       0.55603647       3.55380707 
Hf       7.78782396      10.44612217       7.72551731      -0.43224462       3.70444679       0.03044517 
Hf       2.68455277       4.97879677       7.93005784      -2.21042213       0.02734931      -1.59805929 
Hf       5.05664531       5.29610684       5.05960484      -1.01708718       1.59438040       0.68997450 
Hf      10.22559169       4.83977832       5.04866420      -0.04687586       1.47054011       0.61138744 
Hf       2.69320843       7.61860926       5.11245705      -1.91215212      -1.25911652      -2.46699690 
Hf       5.04871884       5.38115633      10.10044347      -2.15212832      -0.61810544      -1.08919648 
Hf       5.30327305       7.73619901       2.35895798      -3.97312390      -1.15156246       0.62723573 
Hf       5.24055759       8.20089913       7.73552362      -2.31470415      -2.63173906      -1.18051115 
Hf       7.81710556       7.94815358       0.07969907       1.55213676      -0.19578133       0.67170417 
Hf       7.44744095       4.98036838       1.94777562      -0.14534704      -2.11182185       1.89775468 
Hf       2.38207436       5.20556416       2.67404262       1.23548774      -1.54732772       0.50107325 
Hf      10.42357923       7.64246885       2.53612364       1.32272296       1.14620681       2.82139586 
Hf      10.05843455       5.57465701      10.43644355       1.65004083      -4.58530015      -1.77810850 
Hf       7.45591679       2.55884241       5.13711165       1.57488346       0.71372069       1.01296810 
Hf       9.95417120       7.59397434       7.95435795       3.18161845      -0.31422505      -1.82163259 
Hf       5.46149268      10.38877011       0.27174588       0.99444369      -1.20428033      -0.91943115 
Hf       2.62418802       7.65260861      10.20213945       0.81473327       2.76078509      -0.04521559 
O       1.68050582       8.71463632       2.04821211      -1.49317170      -2.82134283      -2.57420211 
O       0.75658401       5.72618288       1.59120873       0.42085745       0.38280998       1.35417121 
O       4.13686111       1.51746723       6.11821303       2.32811532      -1.77474449       0.67028937 
O       0.98799463       0.88426381       3.86828041      -2.91125098       2.54077044       0.00520716 
O       2.25646887       3.34276382       1.29708255      -1.65259340      -0.04828034      -0.12961506 
O       1.04918160       1.32198761       8.74657445       0.30465840      -2.14516029      -2.04139958 
O       4.12391096       4.34991045       2.81611155       3.47276536      -3.00977290       1.77764265 
O       6.30875962       3.41559246       0.50121365      -1.53825986       2.69384351       2.07127526 
O       3.75362685       0.95390506       3.67622146      -1.81444879       0.98012388      -0.42711688 
O       1.67201993       3.35619824       3.64836232      -0.27896017       0.24215298       0.40547458 
O       1.63175322       0.41122432       0.54988023      -0.57988276      -0.90566233       4.19306448 
O       3.76852884       6.40569516       1.04114534      -1.21978176      -0.71362796      -0.18228162 
O       4.09423102       0.98112985       0.90374580      -1.58482465       3.31475343       1.75676994 
O       8.33936758       0.86999607       4.48877348       1.14207531      -0.35552358       0.04654103 
O       0.75002694       8.66318909       6.68302549      -1.44112808       1.12426001      -0.62368386 
O       5.85120886       1.68563112       4.47708660      -2.98276105      -5.06703671      -0.63841633 
O       6.43504919       8.69362469       9.60890320      -2.87838586       2.73328076      -1.42021125 
O       1.78059315       0.45590160       6.07925417      -0.46733267       0.71309023      -0.91716959 
O       3.64554565       6.49547569       8.78077956       0.22578717      -0.28360266       4.02230539 
O       1.16400367       9.24398364       9.31415156      -0.94590320       0.10226884      -0.59170100 
O      10.42923254       2.33362936       0.09554060       1.20584540      -0.98418468       1.23123687 
O       3.55880848       8.94204748       6.13106678       1.70372590       2.47838881       1.55013567 
O       8.75215116       9.43152643       9.10621391       1.89706915      -5.06962714       1.67699557 
O       0.60165443       7.20590784      10.16594293      -1.17562578      -0.19984226       0.70353137 
O       1.39021791       8.95152170       4.25376573      -0.28350874      -0.37249096       1.04969979 
O       3.75457070       6.73154219       3.63585552       0.13699778      -2.01294028       0.88885690 
O       3.99083490       8.86049601       0.92567343       2.06036815      -0.50510374      -0.51868737 
O       4.11360709       8.92607994       3.64907077      -0.29667843       0.44450113      -1.36989978 
O       0.72274239       4.08512030       9.18615956       1.53328824       2.48930008      -0.58693502 
O       8.77037512       3.93867900       0.83671240       1.10064840       3.56754326       0.88144288 
O       6.92279818       2.13878566       7.15467873       1.02215593      -3.24598675      -1.36548138 
O       5.89927028       4.42586565       8.74966481       0.79717712      -3.77535346      -2.82243404 
O       3.37591112       4.19095964       6.21720235       1.29658836      -1.87053983      -1.20027136 
O       1.02963461       3.35721649       6.19783381       0.02297224      -0.77056413       1.70880495 
O       8.67725608       3.61147817       8.56597839      -2.00047043       1.24370613       0.80528064 
O       9.07288451       3.50478290       5.79865012      -1.46100410      -1.44856398       0.70938996 
O       6.08295439       3.86574414       5.86772044      -0.22247848       2.61289070       0.59320447 
O       6.67089998       0.96348268       9.25970691      -4.48552676      -0.95682069       0.07727585 
O       6.76500923       1.02789890       1.37573500      -0.47226196      -0.40494708       1.18135007 
O       8.85387456       1.11584230       9.13950459       2.37589042       0.46155283      -0.79301930 
O       6.68002829       9.04382081       1.70894929       1.15478027      -0.66807523      -1.62865436 
O       8.26567057       8.80429356       6.63399700       2.70736253       0.34727706       1.11266228 
O       1.26267335       6.57709415       7.96355449      -1.03585705      -0.64943554      -1.34482158 
O       8.68337860       6.51981944       9.14643887      -0.91202312      -0.03978073       1.40038611 
O       8.91072183       6.73789339       1.75565450      -3.10029151      -1.50328557      -3.82559522 
O       8.92794313       5.97167828       6.40827445       1.83876125       0.97312187       3.01980528 
O       5.96010674       9.73205730       6.70292833       0.71232102       1.51305897       0.51682998 
O       6.10890377       6.71435721       8.58236208       1.47249279      -2.05836436       1.76831023 
O       4.27489940       6.34379230       6.61187375      -1.71833334       1.52481698      -2.24465130 
O       6.38204333       6.28248527       0.78504590       2.01513026       1.70061216       0.73359764 
O       9.21837024       6.59391354       4.21662234       1.55643360       1.45146324      -1.61968965 
O       9.16609293       1.50077647       1.73843425      -0.95757446      -2.64621690       1.86032270 
O       9.13652340       9.16504202       3.90527969       2.34753874      -1.60009598      -0.06614052 
O       9.52432018       9.29503452       1.32939422      -2.00044564      -1.69674680       1.08655765 
O       6.68605263       3.12508989       3.21450012       5.18966825       5.67396618      -1.12012249 
O       6.46197788       6.16961798       3.39314466      -0.62615148       0.42526968       0.43850870 
O       6.61479613       9.00580548       4.11862668      -2.73171257       2.41115056      -1.41609130 
O       9.94865060       0.96698321       6.84726822      -3.06914366      -2.46194371      -0.99814562 
O       1.47102148       5.88738277       4.44427559       0.44470548       1.27759362      -0.28294213 
O       9.60973903       4.24380777       3.24071356      -1.21809355      -0.62235453      -0.41350942 
O       3.65482216       8.99284498       8.61028056       0.51995850      -1.17083265       1.94504846 
O       3.45921411       1.05383341       8.59523247       1.60610078       0.62617607      -0.15787464 
O       3.57772091       3.76766611       9.23080534       0.10813532      -0.54824784       0.12455247 
O       6.56848036       6.66424295       6.25119678      -0.32995891       0.50284707      -2.51964935 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0033686222916578966 -0.006033728975007149 0.010088680486380494 -0.006033728975007149 0.0007771517096400262 0.01929465962657992 0.010088680486380494 0.01929465962657992 0.0009085674332665934" pbc="T T T" energy=-928.549986 free_energy=-928.55004938 config_type=crystal 
Hf      10.27738316      10.45416094      10.32487856      -1.34439154       0.59496781      -1.27933775 
Hf       4.94528348       2.34489758       2.70528935       2.94461861       0.90533783      -2.32931378 
Hf      10.28752239       2.56080712       7.92313549      -1.24094286       0.49282962      -0.74073359 
Hf      10.42747433      10.27157578       5.31406642      -2.51122940      -1.74516696       1.21531705 
Hf       7.23660929       5.41017816       7.64474096       0.31859614      -2.28761358       0.79686508 
Hf       7.84058292       7.85247587       4.99423442       3.52580891      -2.69745723       1.21554473 
Hf       7.90840254       2.35129463      10.45866905       0.45223726       1.68978983      -0.64444357 
Hf       8.15149029      10.45004082       2.74017738       0.73350477      -1.13504471      -0.21874122 
Hf       2.52388739       1.99822679       5.29279795       0.59268619       6.05681292      -0.94452572 
Hf       4.96483601       2.12458543       7.66891055       1.25986258       1.71520973       3.15118048 
Hf       4.94834850      10.18271355       4.79277535       0.27137192      -0.97741536       1.32083285 
Hf       2.22289686       2.00449102      10.15702458       1.75186639       2.09060517       1.63112242 
Hf       2.09584273      10.46369983       2.67315288      -0.03940898      -6.01557633      -1.09819219 
Hf       0.21670121       2.83270696       2.36033847       0.25020406       0.23113552      -1.39440989 
Hf       2.10154022       9.89923684       7.74492604       0.85837988       1.17939143      -1.05074375 
Hf       7.77454005       0.07397594       7.69023345       0.89212377       0.80676324      -0.82197967 
Hf       2.64792976       4.92437484       7.89479930      -1.68065254       1.74442088      -0.72612928 
Hf       5.05127835       5.31652189       5.02486553       0.28548299       0.31759412       0.47229857 
Hf      10.28507309       4.87197936       5.11155550      -1.75178521       1.26481355      -0.72803954 
Hf       2.76739264       7.63215347       5.08609929       0.46467983       0.78636401      -0.89330557 
Hf       5.03084456       5.32512176      10.10203862       0.94439969      -1.23645441      -0.25528121 
Hf       5.35369522       7.80347951       2.40058090      -2.17807787      -0.68308763      -1.10573646 
Hf       5.22535334       8.24173908       7.66126552       0.15642330      -4.10374367       0.69566222 
Hf       7.80047163       7.98418620       0.10529343       0.69554719       0.29888849      -0.19809291 
Hf       7.45572337       5.02696086       2.02618871       1.23598045      -2.09203124       0.97146333 
Hf       2.41746414       5.27649433       2.65245262       2.97769508      -2.93638655      -0.65870700 
Hf      10.45948091       7.50539428       2.63706218      -0.36675795       2.38517410       1.69256855 
Hf       9.99913337       5.57043253      10.43225068       0.49281023      -2.11462016      -0.54393103 
Hf       7.45538123       2.51904071       5.19794560       0.26922656       0.28823873      -0.88158999 
Hf       9.96135782       7.59772344       7.94707242       0.47252249       0.34253130      -1.25601551 
Hf       5.45690001      10.42113694       0.16786654      -0.69863594      -0.62578495       1.18217305 
Hf       2.57741499       7.62800885      10.17300469       0.12111927       3.05944627       1.36154072 
O       1.69121117       8.51792137       1.87951025      -0.97033366      -0.72508756      -0.02478216 
O       0.70512077       5.77701449       1.87981262       2.42418385      -0.20687584      -1.96631085 
O       4.20540634       1.14912973       6.16185321      -1.10649412       1.87406060      -0.57823886 
O       0.44190316       0.93276648       3.73413659       2.70140711       1.52617695      -2.77552337 
O       2.35956481       3.51485160       1.28527867      -1.64806999      -0.93278756      -1.28138205 
O       1.04317076       1.10988148       8.65117902       1.22594898       0.02482431       1.14971419 
O       4.52396670       4.25827028       2.81603902      -0.79168814      -0.49062012       1.41537264 
O       6.28663136       3.44870720       0.43761286      -0.27518548       1.38573784       2.61028438 
O       3.49273526       0.97504019       3.66330711       0.02148472       1.83760888       0.51435755 
O       1.97033667       3.46664491       3.58492280      -1.84438463      -1.65498588       1.27076338 
O       1.64416895       0.26793325       0.75405214      -0.45600772       1.62877285       0.48816687 
O       3.96968094       6.62305197       0.93881427      -1.20309368      -1.36911646       1.96025807 
O       4.06357196       1.20923911       0.90695348       0.16627322       1.47159649       0.83669226 
O       8.43119980       0.84698624       4.52415331      -0.08334031      -0.48619479       0.33388758 
O       0.55973866       8.66079128       6.54074902       0.80425786       1.63033143       0.64422201 
O       5.70046868       1.49670396       4.47639123       1.33071213       0.93266005      -2.21248164 
O       6.15110066       8.60151533       9.58604700       0.18822143       2.68811814      -0.35895048 
O       1.77052100       0.51523418       6.08514204      -2.02294914      -0.67192331      -0.28992200 
O       3.54014191       6.31076275       9.03038043      -0.89994229      -0.64297509       0.25721314 
O       1.12523843       9.13798909       9.19448783      -1.32113088       0.07969969       1.56389033 
O       0.09319513       2.23551899       0.17175076       2.10318158      -0.55358290      -0.05874343 
O       3.66848369       9.22025059       5.99512968      -0.62264511      -2.39857693       1.06457931 
O       8.76633642       9.17076127       8.92609333       1.55061684      -1.12184989       5.54648736 
O       0.53393550       7.11797209      10.08243668       1.22390495       2.19136989       0.36170238 
O       1.55324499       8.88017309       4.35595311      -1.65375754       1.61630323      -1.40814821 
O       4.17862658       6.64930947       3.61890488      -3.83594022      -0.77641076       2.82741267 
O       3.91973141       9.00614469       0.67613023       1.93076215       1.08433263      -0.25967580 
O       3.83154269       9.00347058       3.54054706       1.82317256       0.15428106      -1.25963290 
O       0.67188158       4.45601584       9.32872763       2.69933298      -1.45484315      -2.18394723 
O       8.83563271       4.20060958       0.68365292      -2.03707897      -2.29860526       1.33692806 
O       6.91642594       2.05812234       7.19672857       0.39661719      -1.12606126      -3.86819266 
O       5.76641045       4.12489426       8.76049387       2.44894174      -0.97717755      -4.69412058 
O       3.36024395       4.01554173       6.02642645       0.94686508      -0.75843086       0.67464464 
O       0.81256249       3.21955279       6.21779495       2.90289626       0.03856825       1.49302154 
O       8.81119895       3.51436209       8.60324288      -2.68146815       1.55278201       0.37653433 
O       9.16199531       3.40349437       5.59889840      -2.86873621      -1.07328506      -0.15640997 
O       6.29064776       4.05070649       5.81551389      -0.18348161       1.27000396       0.78711142 
O       6.51849631       1.17164420       9.13737797      -3.74314203      -1.98177792       3.09536953 
O       6.82354375       0.99160672       1.70653725      -4.73654738       1.04551025      -2.12639046 
O       8.77200585       1.04972752       9.01639476       3.22282129       1.54048080       5.31496494 
O       6.75368145       9.14790403       1.69998478      -0.46675207      -1.73934378      -2.85329634 
O       8.37846428       8.80470771       6.89563127       0.26188317      -2.54409656      -4.86979644 
O       1.13722799       6.58103928       7.76041916       2.90577526      -2.30142898      -1.24011421 
O       8.49059213       6.49953459       9.14250274       0.91468519      -0.40626261       0.05359733 
O       9.04508398       6.67293681       1.66410330      -4.22491153      -0.04133151      -4.20760239 
O       9.24081657       6.00145336       6.39236258      -0.72874936       1.01262582       2.60560013 
O       6.06603630       9.73279213       6.80628698      -0.32621201       1.20740108      -1.52664420 
O       6.00719292       6.46262532       8.72966809       0.20437397       1.05344381      -1.63483282 
O       4.28039468       6.40156185       6.70544671      -1.99767325       0.38593767      -2.59106195 
O       6.59358198       6.36142209       0.66050043      -0.25248149       0.07755756       1.39241977 
O       9.13050439       6.55347121       3.96434275       0.00108800      -0.08118350       1.94723040 
O       8.98774584       1.42283792       1.58131461       2.17855623       0.11793444       0.97485398 
O       9.38413412       8.93760626       4.04891907      -0.07030906       1.33152714      -0.30502672 
O       9.34325461       9.23508047       1.42808892       0.49792144       0.28156475      -1.59354491 
O       6.93816874       3.27290497       3.13897592       0.25285455       0.76035115       0.59928505 
O       6.44072689       6.21225414       3.31289936       0.32851029       1.02805775       0.76441602 
O       6.61697697       8.94693049       3.96657540      -2.26201243       1.23073123       0.81599587 
O       9.66460096       0.83950186       6.96295071      -0.47668201      -0.79433142      -2.65983641 
O       1.42474507       5.85434035       4.35126666       2.40749417       2.67034608       0.25925318 
O       9.75120469       4.39464696       3.02703803      -0.42627600      -2.99542085       1.53287395 
O       3.64518415       8.93684966       8.40137699      -0.75342808      -2.34371564       2.62367711 
O       3.57536099       0.81432123       8.48231316      -0.01436370       2.32813059       2.12592221 
O       3.59846282       3.73537422       9.19174946      -2.52109408      -1.98772535      -0.44895926 
O       6.62503395       6.63395744       6.10396728      -0.62210482       0.26339314      -0.20010238 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025721950392349657 0.009642226455836199 0.011668396060270361 0.009642226455836199 -0.03484575544619007 0.01427662937596649 0.011668396060270361 0.01427662937596649 -0.04700555175520883" pbc="T T T" energy=-926.42258977 free_energy=-926.42274878 config_type=crystal 
Hf       0.01674247      10.41101382      10.19905705      -3.48201673       0.54205012       2.81145214 
Hf       4.68021158       2.21750844       2.62715373       1.44355679       4.01812213       0.23652872 
Hf      10.25857456       2.52752032       7.98580364      -0.24882573       1.89669243      -0.18985313 
Hf      10.43842825      10.17172729       5.21588279      -1.96469429       0.37704436       0.58351116 
Hf       7.24092576       5.62869023       7.67211457      -1.07944916      -5.08789425      -3.23424130 
Hf       7.94420374       7.72758103       4.99579210      -2.48110819      -1.96275689      -4.06727539 
Hf       7.81323893       2.38035717       0.20416971      -3.71996292      -2.47826806      -3.58943017 
Hf       8.23773795       0.17121050       2.77074308      -0.44504319      -1.16427451      -3.19394290 
Hf       2.47054337       2.14923993       5.27819561      -1.03528506       3.62224911       2.26353623 
Hf       4.87957050       2.13306839       7.72820231      -2.68185222       2.25157058       0.23104206 
Hf       4.90441035      10.21996339       4.73952207       0.70643175       1.83731626       2.29229462 
Hf       2.36786398       1.99580407      10.25448719      -0.86148901       1.74492697      -0.32233014 
Hf       2.01936987      10.21698429       2.68952097       2.09629065       0.08478392      -5.38220905 
Hf       0.37175921       2.77902624       2.43368550       0.78311566       2.08872071      -2.35211948 
Hf       2.06602338       9.93848174       7.86502035       3.54292404       1.72250641      -1.90265620 
Hf       7.74764338       0.27688343       7.63637386       1.27642064      -4.41811244       2.36968302 
Hf       2.50277968       4.84109329       7.78800555       1.82808982      -1.40139568      -1.43976197 
Hf       5.07330216       5.32125827       4.98009029       1.51659914      -0.07230431       3.83773785 
Hf      10.37603484       4.96629511       5.24341214       1.02165534      -0.08410032      -0.27844085 
Hf       2.93905266       7.68214653       5.00433315      -7.34134268       1.12054194       2.85327566 
Hf       5.02564547       5.13950213      10.13780288      -0.90273802       2.73068643      -0.11453382 
Hf       5.41114901       7.93436426       2.44700154      -2.27646446      -1.68265028      -2.28187530 
Hf       5.17770826       8.24392410       7.50280306      -2.13222500      -2.70946132      -1.32885455 
Hf       7.78304415       8.06232653       0.16817258       0.97352080      -0.97027992      -0.71754180 
Hf       7.50671460       5.09399656       2.22559598      -0.12692925      -2.11084066       1.32418030 
Hf       2.61807398       5.33368144       2.57141608      -1.23850651      -1.02089385      -2.18494648 
Hf       0.05840862       7.26955459       2.88869443       1.23866034       0.18118488      -2.23209993 
Hf       9.89582015       5.51264781      10.37760309       3.16592238      -3.44355078      -1.39478592 
Hf       7.43864044       2.46247759       5.24197576       3.01907201       4.88908444      -3.79586448 
Hf      10.02455724       7.60753498       7.89901959       1.21342659      -1.20128956       0.58679815 
Hf       5.39617543       0.00116447      10.46409431      -4.25839697      -0.36762383       0.68974482 
Hf       2.47444255       7.66596421      10.16421716       0.10922847      -1.68736878       4.07141202 
O       1.51428561       8.00662866       1.60968335      -0.10864085       2.42398191       2.02487790 
O       0.87551155       5.73566976       1.64548414      -0.94988662      -0.06774360       1.04393850 
O       4.01377127       1.21876753       6.08595516       1.57922996      -2.26490018      -0.18891191 
O       0.18734226       0.91591883       3.16443956       1.24756376      -1.49971836       2.22504851 
O       2.13209660       3.79078490       1.13904157       1.51089827      -0.52620335       1.86117445 
O       1.01426730       1.10863663       8.76227187       0.38765448      -1.05105682      -1.16720475 
O       4.99387731       4.28538235       3.39401272      -1.83675428      -1.70511482      -2.28360836 
O       6.09580134       3.97313918       0.80384916       0.10848614      -2.41390249       0.92177083 
O       3.08140868       1.27805824       3.54450391       1.54490086      -1.70933756      -0.36142925 
O       1.92150326       3.44553123       3.75609227      -0.39104428       1.15499029      -0.23405295 
O       1.54702985       0.28721011       0.84939064       1.83104001      -1.42533863       1.41467248 
O       4.06708347       6.62247999       1.30234548      -1.80456136      -1.13083103      -0.18126603 
O       3.88535466       1.87640158       0.93543316       1.91362703      -1.60351963       0.27700076 
O       8.41775544       0.60614422       4.61303825       0.42263540       0.32452671       0.04200168 
O       0.57282570       8.89174159       6.81974714       0.26452769       0.27989734      -2.35793527 
O       5.93281131       1.55829954       4.11442963      -1.24954473      -1.73071369       1.84591100 
O       5.95826605       8.99006631       9.07485226       2.78902466       1.35747235       1.94095823 
O       1.45055472       0.62571015       6.15204220       1.09933133       0.13115783      -0.58719910 
O       3.09741495       5.67425671       9.52823297       1.99830906       1.54927598       0.82673044 
O       0.95793340       9.08892459       9.13605399       1.60164016      -1.07117939       1.16783307 
O       0.45517975       2.15427804       0.33204564      -1.58814059       2.18836137       0.55247927 
O       3.69068145       8.93644943       6.19088520       1.61146002       5.07860255       0.69722122 
O       9.19429316       8.82422759       9.48966565      -2.35099507       0.24072030      -2.54068858 
O       0.53898879       6.97918724       9.92585877      -0.00201132      -0.22328418      -2.26157575 
O       1.43185623       9.21842445       4.08055724      -0.36805813      -3.09124065       3.65220013 
O       3.79887852       6.74213053       3.79699575       5.74614111      -4.07501112      -5.44888892 
O       3.79782666       9.44249847       0.27461938      -0.01079968      -1.33375220       1.24881907 
O       3.94701345       9.20367768       3.08420399      -0.22669595       1.30410440       2.07822142 
O       1.09707138       4.57222834       8.92825722      -6.11937132      -2.15383659       2.02303237 
O       8.52955832       3.88133731       0.75301944       3.75471306       6.81776017       2.23509115 
O       6.75664077       1.51014654       6.80311593      -1.86383141       3.20166806      -0.45554217 
O       6.06653230       3.76796649       7.88763833      -1.53857759       1.70706426       2.94690097 
O       3.73076637       3.59356998       5.97466240       0.75960261       2.17879111       0.34573426 
O       1.07313172       3.19462889       6.56373855       0.48182486       0.83159449      -0.08334723 
O       8.66051225       3.55578459       8.61329022       0.58253374      -0.46448071       0.06776320 
O       9.35476858       3.41482623       5.31144547      -2.19262641      -2.94298097       2.94817188 
O       6.86872560       4.45070047       5.86998156      -0.99881311      -0.32252963      -1.83849537 
O       5.93793996       1.46392812       9.22231055       3.53170537      -0.71416873       1.55229231 
O       6.05347927       1.07272553       1.82552915       2.74184424      -1.16770865      -2.17230539 
O       8.98913220       1.09881180       9.56042910      -2.82699712      -0.24554365      -3.82163705 
O       6.51454123       9.15780443       1.20713676       0.33096935       0.07140642       1.04965360 
O       8.49030327       8.39266252       6.58580643       1.48771863       2.76286321       5.03775287 
O       1.60070890       6.16698395       6.82386130      -2.95114044       1.87025832      -0.98300383 
O       8.53094781       6.26824057       9.00352940       0.30759941       1.64120854       1.69079220 
O       8.91912410       6.73044177       1.11225877      -0.47565970      -0.87602947       3.11165956 
O       9.49146416       6.02860572       6.69313856      -1.77779289       0.23708176       0.02884163 
O       6.13403876       9.78347282       6.55061027      -0.38510532      -0.99788478      -0.32285545 
O       5.61022670       6.40379429       8.51825859       0.50947791      -0.21979508       0.68320079 
O       3.83510130       6.55796194       6.23025276       3.13697039      -2.55360449       1.21554903 
O       6.33548894       6.35638178       0.70024886       2.14827639       1.90059426       0.18088986 
O       8.94624024       6.21834662       4.03897608       0.90148618       0.82860982      -0.11568056 
O       8.96524037       1.40921072       1.40801129      -1.28546514      -0.33165097       3.05530689 
O       9.57501270       8.69375887       4.07623711      -1.75476073       0.45839988      -0.46435872 
O       9.23865917       9.25876642       1.41205125      -1.00283941       0.46864672       1.15498865 
O       7.66020069       3.47588196       3.42611894      -2.28417723       0.40448323      -1.34810710 
O       6.53256058       6.67232475       3.40937313       0.46847314      -1.71696689       0.17200108 
O       6.36740823       9.07291570       4.03493989       1.47387479      -0.11510804      -0.57979399 
O       9.41705482       0.70291125       6.71000558      -0.50100974       1.44049030       2.77022473 
O       1.54347197       6.38959176       4.31850441      -3.72916234      -1.28147203      -3.00652761 
O       9.86148275       4.21431235       3.25985341       1.60179575       0.28107496      -2.11690294 
O       3.18584587       8.15867021       8.52094506       2.03985852       2.01233011      -3.45961557 
O       3.55427913       0.71581272       8.86444877       0.36289873      -1.91201942      -1.15306131 
O       3.16644865       3.03720887       8.83184468       2.76896948       1.81047650      -2.08536662 
O       6.42820691       6.82680921       6.06991644      -0.28943469       0.93568881       1.34045824 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.024145001554625106 0.017549792741302247 -0.0029868713897538354 0.017549792741302247 -0.01655073517847203 0.011507177105601667 -0.0029868713897538354 0.011507177105601667 -0.03349220107406526" pbc="T T T" energy=-922.96731201 free_energy=-922.96743469 config_type=crystal 
Hf       0.07065020      10.37736572      10.17410919      -5.07709783       0.64429926       1.25962166 
Hf       4.55765604       2.20988412       2.55801830       5.87029219       2.79252375       3.34037234 
Hf      10.20347556       2.54475679       8.03240262      -3.62793654      -0.33075241      -2.80673470 
Hf      10.37343409      10.11609263       5.15816913      -1.56289793       1.68684219       3.53721595 
Hf       7.24333623       5.65026860       7.62166121       0.32649806      -0.93670654      -0.80421511 
Hf       7.98752774       7.61377147       4.93394764      -3.24517667       1.17908903       2.94457446 
Hf       7.68742034       2.42031723       0.29650148       0.25841258       1.85820547      -2.58418789 
Hf       8.26639880       0.25129556       2.72975933      -3.71622848      -4.98521241       2.72036075 
Hf       2.42784515       2.36109047       5.32510167       1.56406840      -0.09491687       1.09387749 
Hf       4.78689502       2.16943017       7.78319267       5.71350509       0.17784614      -3.01487651 
Hf       4.89597700      10.27276505       4.75668433       3.95731232       2.16068469       3.71280233 
Hf       2.49474457       2.05043795      10.31260485      -5.13023947       1.12114485      -1.99176136 
Hf       2.01644499       9.97732087       2.63196629       1.78486373      -1.68564982      -0.47082933 
Hf       0.51468041       2.78570692       2.40937094      -1.09227620       1.01872802       0.67435633 
Hf       2.13986347       9.99277829       7.87847601       0.98066407      -0.62754444      -3.37379223 
Hf       7.73226466       0.32225702       7.66023836      -0.63791504      -1.87748718      -1.12213493 
Hf       2.39992719       4.77597040       7.69174707       0.94419649       3.14240167       1.66006176 
Hf       5.14756655       5.29115172       5.03919010       3.47855835      -3.37300900      -0.95768913 
Hf      10.43411639       5.01752339       5.32489914      -1.59731330      -2.80158057      -0.95427580 
Hf       2.94797436       7.71280705       4.98332288      -3.29315243      -2.03772426       1.40672524 
Hf       5.02460220       5.04522815      10.17986413       0.51306431       4.15626595      -0.60573596 
Hf       5.40193540       7.97767497       2.42523331       0.01473993      -2.04761264       1.41187277 
Hf       5.11200617       8.19613209       7.39988075      -0.84431955       1.85998420       2.80269417 
Hf       7.79536412       8.08943483       0.20248852       2.45914647      -0.09891328      -0.16965962 
Hf       7.55229071       5.10041726       2.38147904       0.43799968      -0.41183085       0.74310888 
Hf       2.76704339       5.30994881       2.47151798      -4.40513810      -2.30560121       2.13877492 
Hf       0.08586177       7.15406405       2.98758433      -8.40657589       4.33486728      -9.07326537 
Hf       9.88980250       5.39410867      10.30828420       1.95504747      -2.43299020       0.41451324 
Hf       7.47145763       2.52521315       5.16187929       1.84589785       0.96978339       1.04102961 
Hf      10.10484346       7.59437404       7.87170574      -1.28685951       0.57581758      -0.73342122 
Hf       5.26064338       0.01335937      10.39484134      -0.87605209      -0.03449845      -1.38420643 
Hf       2.41535102       7.69105525      10.23798828       1.36160186      -2.42470125      -0.04509017 
O       1.42239583       8.20420676       1.84580051       0.51674242       0.22250171      -0.93666492 
O       0.74308858       5.67598144       1.35063203       1.20621700       1.39129934       1.34045329 
O       4.02561660       1.23922927       5.92836810      -0.89576860       1.10321471       1.30535089 
O       0.47134835       0.47515585       3.34502703      -1.61871798       3.10343989      -0.26620970 
O       2.22446333       3.75855738       1.40718959       1.68862303      -3.87224826      -0.66976317 
O       0.98766588       1.14594099       8.84227456       1.20619347      -1.48959891       0.73917666 
O       4.67448018       4.09700289       3.40454193      -1.69023036       0.53827718       0.17658878 
O       5.97872329       3.94612173       1.22407819       0.85037978      -0.60891074      -1.46731751 
O       3.18814393       1.12655382       3.30083539      -1.74853988       0.77550344       1.66684467 
O       1.66898107       3.60839022       3.94332610       2.86444311      -0.82552713       1.18710913 
O       1.72827795       0.21306043       0.81957547      -0.96971154       3.05703013      -0.01484518 
O       3.79667978       6.29770240       1.39886844       2.05297427       1.99199155      -5.52324542 
O       4.07862665       1.88499486       0.81456331      -0.57162791      -0.95171531      -3.99138556 
O       8.41706143       0.48240799       4.68618474       1.40391524       1.56739919       0.11504763 
O       0.77187220       8.96898508       6.84781414      -1.10718545      -0.63992159      -0.74153851 
O       5.98586479       1.41835106       4.15050704      -1.04070304       0.63641947      -2.18161093 
O       6.58823752       9.48303699       8.80191239      -2.71367232      -1.32379701       2.29954563 
O       1.49466965       0.79552979       6.13856958      -0.40485860      -0.13937292      -0.88840941 
O       3.10714726       5.42248558       9.79379605       0.30384686      -1.22570822      -2.44684688 
O       1.20447384       9.01985081       9.37152769      -0.35908529       1.47258715       0.26976078 
O       0.20554612       2.58254929       0.48605849       1.83794130      -1.38271209      -1.53103777 
O       3.67973192       9.22833709       6.32782873      -2.14214786      -1.06658052      -2.46156646 
O       9.16748682       8.96944737       9.36359295       0.36557171      -0.86549861       1.10279886 
O       0.64806051       6.74610748       9.35721505       1.21687933      -0.76143342       0.66184349 
O       1.28799548       8.94543225       4.37095567       2.65241601      -1.24167234      -0.94273952 
O       3.90501018       6.75364785       3.42901860       0.60604697       2.08317728       5.05149337 
O       3.52085595       9.31570715       0.40577416       2.51852151      -2.30094031       0.60034227 
O       4.18876540       9.47224697       3.14547899      -2.66606208      -2.78447211      -1.10629250 
O       0.52588123       4.06018426       8.76962856       4.08691750       5.49901925       2.24298476 
O       8.75596190       4.23066296       1.12274266      -1.50611860      -1.08143315      -2.35665412 
O       6.32372775       1.52566614       6.71173794       3.47367514       0.62469754      -0.26799507 
O       6.07066770       4.21449718       7.93073521      -2.52223018      -2.70782110       3.14908900 
O       4.20604489       3.80142118       6.20454914      -1.48994737      -0.19315792      -0.04511117 
O       1.51183757       3.49616242       6.71467894      -2.24408175      -1.84817198      -2.82042111 
O       8.62100371       3.50751992       8.60376556      -1.54462374       0.83774276       1.94880958 
O       9.45821273       3.21371108       5.78069954       0.47288449       0.83251885       0.58557281 
O       7.06516090       4.54061738       5.63696512      -2.38948569       1.07768013       0.91215392 
O       6.40136519       1.73599196       9.35326009      -4.33853109      -0.73197028      -0.50100445 
O       6.04657922       1.03032748       1.42265131       2.83697180       1.33468639       1.76816684 
O       8.56992499       1.04431859       9.29378025       2.95975049       0.16935062       3.07902563 
O       6.25204287       9.17721117       1.12906665       1.97303723      -0.96102304      -1.06166160 
O       8.60391376       8.58744907       6.99709732      -0.82668989       0.91901135      -2.66079937 
O       1.56612334       6.14896618       6.05209773      -0.29997756      -0.92032291       4.66010237 
O       8.66161842       6.38826098       9.08000665      -2.91659112       1.17766475       1.28269460 
O       8.91972517       6.75044980       1.49164722      -1.97230424       0.52392521      -1.41497233 
O       9.13547375       5.95957548       6.74948052       1.67645131       1.07429783      -0.79993562 
O       6.05036254       9.57290878       6.21700569       0.29380340       0.40852133       1.99300382 
O       5.32665286       6.47558855       8.46795291       1.55587716      -0.47403645       3.04209384 
O       3.94491424       6.31815356       5.96778768      -1.88042332       2.92570696       2.34099874 
O       6.10002665       6.58787465       0.78222704       2.01096798       0.16364937      -0.35734967 
O       8.96512085       6.04607025       4.25841775       1.10489344       0.79322468      -1.24626927 
O       8.78296637       1.62589507       1.67960227       1.48428245       2.36229370      -0.59111412 
O       9.17634467       8.66326696       3.86117114       2.31526808       0.71491728       0.52149709 
O       9.15207586       9.45107007       1.52682035      -0.27060351      -0.24782863      -2.64607007 
O       7.72127609       3.47980218       3.50586312      -1.38228680       0.07212984      -1.51808164 
O       6.67398803       6.75487857       3.56287900      -1.35304257      -1.97389767      -0.95959496 
O       6.57163655       9.10935608       4.05920253      -0.58251920      -0.69073916      -3.28918981 
O       9.49029425       1.01059869       6.95259095      -1.06532085      -2.97270063      -1.42908716 
O       1.21620154       6.49318411       4.04113180       7.86971338      -5.03225311       3.09182291 
O      10.09636793       4.18152855       3.32844826      -0.90759997       0.43143259      -0.62262766 
O       3.01123229       7.81709499       8.21860051       0.70457598       1.44139667       1.58945850 
O       3.47926128       0.40903773       9.10462211       2.70386692       1.82177343      -0.73535728 
O       3.15599836       2.79976376       8.30757754      -3.97587349       2.72212563       4.26403939 
O       6.25815523       7.14524418       6.38384896       3.98242189      -3.74701824      -3.23133657 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013345669118129727 0.0032837404826023537 -0.0018567603480037001 0.0032837404826023537 -0.017805208008687477 -0.005491113948228199 -0.0018567603480037001 -0.005491113948228199 -0.02288390496029887" pbc="T T T" energy=-924.49247495 free_energy=-924.49342101 config_type=crystal 
Hf      10.40141946      10.36840268      10.20917399       1.73426630       0.63352206       1.01165267 
Hf       4.54688684       2.25715482       2.48217509       1.16189547       1.49806255      -0.61971408 
Hf      10.01010101       2.58339946       8.05213308       0.39457900       0.27843805       0.55197330 
Hf      10.24676733      10.09264960       5.20233743       0.54814339       1.68663099       1.08544729 
Hf       7.23726374       5.60304720       7.58009333       1.82809761      -1.05589426       4.68688412 
Hf       7.94336394       7.50409459       4.90810680       1.35689582       3.08427177      -0.50183889 
Hf       7.51303032       2.53738283       0.34243167       2.13309422       1.60228266      -0.22011769 
Hf       8.19949236       0.24360206       2.69938348       1.24798669       0.72391872      -0.25947220 
Hf       2.45615580       2.59475780       5.41528221      -0.52361776      -3.62532165      -0.72218751 
Hf       4.77866838       2.27877244       7.79255175      -2.09207429       2.73638029      -0.56064188 
Hf       4.97273496      10.41401511       4.87871070      -2.23734054       1.50674365      -0.18978131 
Hf       2.48636157       2.18327946      10.31932122      -2.62927410      -0.88792545      -1.21516148 
Hf       2.10381798       9.69519827       2.51874483      -3.61029321       3.02225401      -0.13446183 
Hf       0.68282410       2.79093615       2.37630895      -3.11873225      -2.45946694       1.33142126 
Hf       2.28902921      10.05316063       7.77062726      -2.17656800      -0.46078910      -0.96457368 
Hf       7.69239084       0.30806129       7.67636155      -0.76052720      -2.02109308      -0.10841604 
Hf       2.29021231       4.81441317       7.65300339       0.16800299       0.38948917       1.52753825 
Hf       5.28494955       5.21291750       5.12781212      -2.61906519       1.19945384      -0.70679654 
Hf       0.02927187       4.97972481       5.40791014      -1.27255261      -1.61459665      -1.34055711 
Hf       2.87044494       7.66633932       5.02122832      -1.66655257      -1.98680687      -1.31390674 
Hf       5.03759117       5.05650915      10.21313356       0.10966086       4.22164874       0.95699268 
Hf       5.39715622       7.96867341       2.38861458      -0.44999709      -0.91388419      -3.29120957 
Hf       4.99267684       8.10327230       7.33753695       0.92023432      -1.01793039       4.60794804 
Hf       7.88654691       8.12683171       0.24768158      -1.61760923       0.40970938       0.04844955 
Hf       7.63096503       5.11351644       2.58668198       1.78305622      -1.67985943      -3.20058934 
Hf       2.86996444       5.21313185       2.32853179      -0.68277490      -1.63927975      -2.87116607 
Hf      10.43720570       7.05243860       2.90554512       2.56159216       0.72273582      -2.32179604 
Hf       9.94088352       5.12894341      10.21178719       1.10771437       0.56345067       0.03169504 
Hf       7.61328751       2.64489530       5.08348557       3.67124689      -1.14147311       3.61514723 
Hf      10.15774078       7.60999014       7.81379290       0.32117005      -0.80443542       1.03318361 
Hf       5.09140157       0.00883892      10.28571509       1.22694462      -2.08180878      -0.35444172 
Hf       2.38966591       7.60246955      10.35445510      -1.28110640      -0.43654420      -1.65318666 
O       1.10607911       8.07251925       1.60958539       2.47245114       4.83290558      -0.83262264 
O       0.93168124       5.96378310       1.29971909      -0.41996093      -3.59983864      -1.91211345 
O       4.06423730       1.43979892       6.22976546      -0.53269956      -2.21556169      -4.25089927 
O       0.47156532       0.66749771       3.40255701       0.17282265      -1.18579969      -0.21494643 
O       2.86579313       2.84803890       1.73154215      -3.62053561       4.67315478      -0.67621735 
O       1.23444936       0.99259808       8.81921166      -2.25808570       1.21202003       0.46159088 
O       3.97185822       4.15548717       3.51169876       5.57399137      -1.13185874       1.58482300 
O       6.11068187       3.75668236       1.31980980      -1.54134007       1.06106440      -1.01688768 
O       3.05338428       1.24400112       3.52625117       2.01087838      -0.30196263       0.97583155 
O       1.80811172       3.78781930       3.97400819      -1.60633490      -2.81455353       0.75731220 
O       1.69823075       0.70870534       1.12507505      -0.36954758      -1.96285633      -0.50990740 
O       3.65721431       6.29993013       0.77672883       0.56676907      -1.94350889       2.04680448 
O       4.39617251       1.77222605       0.32930255      -0.65826102       0.12488795       3.49045031 
O       8.57184627       1.00468665       4.64705811       0.60168610      -2.40143933      -0.56436282 
O       0.71593455       8.89279742       6.90244561       0.94685873       1.04796398      -1.38691962 
O       5.80861666       1.42561900       3.71222916       0.18349660      -2.35869488       2.93263174 
O       6.47050616       9.63644783       9.19969812       2.59525228      -0.38338368      -4.29341282 
O       1.34461679       0.85354101       5.89003585       1.34785988       1.02187683       0.34361856 
O       3.19541040       4.68027228       9.26223711       3.31078673       3.90613694       5.11802937 
O       1.48632484       9.22764078       9.65270456       1.00415671      -0.27742035      -0.59987762 
O       0.55716994       2.89156500       0.31665132      -0.01420261       1.33676229       1.01619595 
O       3.26175146       9.40357278       5.80346363       1.65907563      -0.11041314       0.96639173 
O       9.52100596       8.84021732       9.29885395      -1.57570198      -0.98538175      -0.19671676 
O       1.23502050       6.54347829       8.73201660      -0.68541775       3.50086742       3.01711774 
O       0.94855265       8.39181298       4.26519734       4.41970343       0.24606217       0.27984184 
O       4.43326054       6.88098037       3.90349300      -2.18185968      -0.42938049       1.19456795 
O       3.94829765       8.64940866       0.82677946      -1.54876268       2.30782643      -0.27254199 
O       3.75744409       9.14006202       3.33670515       1.98773048      -0.17376505       1.69080561 
O       0.67136005       4.48354770       8.83052531      -2.82942206      -3.97807047      -0.90929025 
O       8.56396595       4.43686060       0.87908837      -0.99168606      -0.66158403       1.67644820 
O       6.68317547       1.88102168       6.58256358      -1.30068693      -2.29788562       2.77678889 
O       5.50183402       3.97810916       8.84195921       2.85416218      -0.08780554      -3.27341281 
O       4.27998922       3.97699042       6.45407747      -1.52021684       0.46260987      -1.13109691 
O       0.93399825       3.60718075       6.50746723       4.91989312      -2.31857914       0.79463418 
O       8.34829127       3.72674379       9.11636749       1.91225199      -0.59210002      -2.30793245 
O       9.31803190       3.36001683       6.34014985      -2.82172962       0.28272218      -1.29836977 
O       7.08226706       4.54583227       5.78580380      -1.46356483       0.01626481       0.96043367 
O       5.83898905       1.71089234       9.15421808       6.52869205      -2.96778386       3.04714984 
O       6.89693222       1.08757110       1.44476346      -2.14317897      -0.39394462      -0.80115624 
O       8.95176807       1.12522650       9.67728286      -1.99865609       2.14867680      -2.62796602 
O       6.28086458       9.24436859       0.92499930       0.63731725      -1.32094567       1.59407369 
O       8.54903006       9.04608863       6.57010618      -0.50041487      -1.47354865      -1.24208317 
O       1.19916005       6.06106643       6.57064771       0.25731782       2.20261122      -4.13070033 
O       8.15405545       6.57769826       9.32021369       2.43286606      -1.07722228      -1.02850136 
O       8.69743512       7.05061058       1.90408908       0.16292186      -0.18650315      -1.35944377 
O       9.13195920       6.26812858       6.63968203      -1.53160268      -0.41295094       0.29407101 
O       5.99813547       9.45745425       6.29569529       0.21737979       1.90727546      -1.00077708 
O       5.66041004       6.82117724       8.90647632       0.16496099      -1.44623345      -2.02749539 
O       4.06810801       6.63899524       6.50930625      -1.13715981      -2.13742909      -3.06717319 
O       6.40249282       6.68385295       1.00420928      -0.46033102      -1.08320200       1.19482897 
O       9.31546308       6.22324229       4.21023890      -3.56868023       0.07469754       2.89088637 
O       9.02805924       2.11190123       2.21716389       0.86179877      -0.95527650      -1.73802497 
O       9.36012424       8.79814571       3.81482942      -3.62362171       0.41752041       0.10042307 
O       9.00477111       9.80065466       1.05327912      -0.37954597      -1.07308228       1.77791948 
O       7.23756464       3.32346143       3.47095007      -1.25149272       4.60956516      -3.74435423 
O       6.50431031       6.26428769       3.71140013       2.31698970       0.69471003       0.60136123 
O       6.71579349       9.05121361       3.29178035       0.44718492       0.67366336       3.33127645 
O       9.53793231       0.68446426       7.09006114      -0.65611811       2.10736833       1.23535830 
O       2.03301319       5.96128168       3.70671201      -3.04351968       5.53977533       4.03985806 
O      10.12261287       4.39720856       3.26080238      -0.62615650      -0.73714031      -0.39764916 
O       3.25356930       8.21925925       8.23549358       0.19907477       0.86731465       1.19388700 
O       3.86774172       0.37055183       8.55594413       1.48988029      -0.03524960       1.42176894 
O       2.76078303       2.81519596       8.52967648       1.53957230      -1.80343434      -4.36605410 
O       6.62921520       6.82490959       6.24754617      -2.63793569       1.57270307       0.27849665 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.000387953794812982 -0.010512727068498741 0.0074037883751399206 -0.010512727068498741 -0.015546146215492199 -0.0023398522805357868 0.0074037883751399206 -0.0023398522805357868 -0.02168489844312675" pbc="T T T" energy=-928.58840075 free_energy=-928.58844134 config_type=crystal 
Hf      10.40202608       9.95400929      10.28246628      -0.81928299       0.69289538       1.45917425 
Hf       4.61369427       3.06472995       2.32734817       5.43873588      -3.44605281      -1.77163053 
Hf      10.25907432       2.47849161       7.38136333      -0.95477920       0.68862793       0.50259454 
Hf       0.02655495      10.13495408       5.38735808      -2.44782653       1.18722258       0.16988020 
Hf       7.94959802       5.25803269       7.63530620       1.20667934      -0.29305352      -1.62857599 
Hf       7.85961769       7.75600022       5.22682133      -1.19352667       1.67738011       3.79591946 
Hf       7.58083989       2.25526682      10.21277886       1.31797273      -1.47657125       0.58465260 
Hf       7.85484699      10.03046017       2.04218724       0.72413596       2.62025617       1.98037375 
Hf       2.40119715       2.34204554       4.81969441      -1.60665798       2.28126106       0.53724063 
Hf       5.25155045       2.71890818       7.54785733      -1.31383096      -0.59741028       3.34756626 
Hf       4.94654957       0.26487995       4.99734152      -0.36461436      -1.20885582       0.68707970 
Hf       2.44425845       2.36445085       0.21304316      -3.78170544      -0.95040464      -2.89451407 
Hf       2.23951383      10.33623617       2.80173047      -0.69809778       2.00801970      -2.98527577 
Hf      10.00173621       2.44505713       2.66852808       0.27223976      -1.64267206       1.59334167 
Hf       2.91872636       0.28761505       7.75194122      -1.08858683      -4.60587995       3.24216501 
Hf       7.78686211      10.25254896       7.90865341      -2.84696176       2.14798436       1.82005673 
Hf       2.33515983       4.65792914       7.50084683       0.02364245       2.48212175      -0.20701266 
Hf       4.66066993       4.88541922       4.68609819       0.37863423       3.22634146       4.27552390 
Hf      10.40383558       5.36289082       4.75526846      -0.08683141      -4.12787081       1.92988080 
Hf       2.42769234       7.77644029       5.28075439      -0.86297944      -2.50073262      -0.80885533 
Hf       5.23486879       5.16893780      10.45996319       5.02819888       0.82665447      -2.67602543 
Hf       5.16008182       7.94461172       2.90767897       0.53509745       0.34767383       0.50447855 
Hf       4.86181951       7.47258212       7.53459613       1.62214589       0.12823666       2.56141446 
Hf       7.38315514       7.83691577      10.15606839       0.67170602       0.47651120       0.66069116 
Hf       7.62576500       5.42140253       2.91837375      -1.32852936      -4.25429413      -6.13654804 
Hf       2.62193287       5.41106454       1.72516698      -5.88120763       0.35602036       2.24940878 
Hf      10.32410731       7.84057256       2.73183781       1.72352798      -0.15304490      -3.38220397 
Hf       9.94239788       4.67889074       0.13049761      -0.83299820       2.80775452      -0.85896830 
Hf       7.48852287       2.89178824       5.21438497       5.42136867      -0.86151410       0.33942955 
Hf       0.04098449       7.49855672       8.14858990      -1.03678725       1.34488665      -1.48619004 
Hf       5.00372245       0.09749046       0.06719981       0.90660343       0.90756556      -2.21027713 
Hf       3.20536376       7.81953571      10.30528647      -2.36779886      -1.15855791       1.17860314 
O       1.10188541       9.35425940       1.53503663      -0.83912593       0.29396891       1.19796186 
O       1.66627514       7.05499853       1.41857734       1.70622505      -0.29472002      -1.70179254 
O       2.61030136       0.79092895       6.05070960       1.29269217       1.86792513      -4.94819980 
O       1.19181299       0.91536977       4.18658362      -1.03792421       0.47855946       0.32308843 
O       3.76278865       4.12659596       0.61007752      -1.62309253      -3.71488013       1.76436920 
O       1.38968801       0.77850191      10.40518771      -0.10662427       0.08751912      -2.87533951 
O       3.35154570       4.32924765       3.25133738       0.74043280      -2.80853431       1.36465963 
O       6.33904776       3.89034389       1.51581964      -2.48264764       0.65253835      -1.21810280 
O       4.07171969       1.63796878       3.65988602      -1.31864791      -0.47653017       2.51538104 
O       0.70760199       4.19150158       3.33036849       1.18241712      -2.05083696      -0.98616581 
O       1.34576158       1.74872399       2.00224665       1.11402483       1.41248914       1.15186033 
O       3.64295904       6.51961776       3.98149895       0.83956370       3.20702540      -1.33087818 
O       3.64868719       1.39569111       1.37191159       3.15025836      -0.92348126      -0.83378757 
O       9.09413613       1.29618361       4.41869013       1.16768638       0.59232915      -0.67080650 
O       0.94631947       8.81139226       6.67922427       0.36606311      -2.45601980      -1.48729833 
O       6.41175656       1.40095843       4.91194989      -0.16059733      -1.53754741      -0.14618967 
O       6.91507611       9.85343926      10.27076653      -1.15902303       0.75814943       2.61585303 
O       0.57403726       0.60571866       7.35441286      -0.77137322       0.38931141      -0.62891698 
O       4.50113228       4.27321486       8.67500762       0.12454042      -0.89959950      -0.72895411 
O       1.39030426       8.72125535       9.47053920      -0.98977444      -1.70525854      -1.11880039 
O       1.24384842       3.99061334       0.47939194       1.16146957       1.46387873       0.69510660 
O       3.71653569       8.77608600       6.56814210      -0.47375125      -0.19723080      -0.61238635 
O       8.90621163       8.98799410       8.88127560       2.55471305      -4.19116573       1.08651851 
O       0.59766670       5.73647639       7.92903309       3.36117325      -2.17020667       1.43340609 
O       1.26886923       9.06336864       3.98793765      -0.70451492      -1.67671614       2.14029525 
O       4.09100984       6.04258427       6.33989908      -0.55177383      -0.73511138       0.38324559 
O       4.45613317       9.11930368       1.28543765      -1.05335320      -1.02056896       1.23858803 
O       3.73953150       9.42600510       3.91265291       1.39221706      -2.04271101      -0.87027051 
O       1.73935067       2.90257094       8.04638463       0.49984979       0.69707236       2.48287922 
O       8.98713137       3.20420222       0.93665938      -0.36296114       0.24275953       1.89550384 
O       4.96985529       0.51641570       6.92845600      -1.16464111       1.23089142      -0.33612648 
O       7.15002660       3.76874204       9.10227852      -1.09510894       1.50291280      -0.14518935 
O       3.85686765       3.29326393       6.09371103      -1.00493845       0.53080540      -1.27205495 
O       0.95468971       3.31768712       5.92506339       0.86293625       0.41817925      -1.73073266 
O       9.68359994       3.58850685       8.99019232      -0.25459063      -0.95567911      -1.15154538 
O       9.10847608       4.33302794       6.29519480      -1.65669360      -1.84483332       1.01828803 
O       6.33111333       3.96285624       6.59062569       2.01419651       0.78367555      -1.60579101 
O       6.02155391       1.30162530       8.81622346       2.07182736       0.54645277       3.10435902 
O       6.46588146       1.45314594       1.86290364      -0.08918396      -2.40564396      -2.48554465 
O       8.89223277       0.69740278       9.44365038      -0.49854645       3.48772100       0.28589945 
O       7.00082182       8.34429182       1.84662577      -4.57084912      -3.46252694      -0.56111320 
O       8.48631868       9.29519518       6.44301543       1.51067419      -0.66799343      -3.33275938 
O       1.57652496       5.94051025       5.78653183       2.04901190      -0.39327632       2.56226768 
O       9.17026884       6.67175245       6.54879219       0.53214021       2.12703272      -0.63106675 
O       9.09282775       6.22697161       9.03197653      -2.50143593       0.75254988       2.70311565 
O       8.64772810       6.44795768       4.05975567       4.02738795       1.12093293       0.41696925 
O       6.20479760       8.84018886       8.22969593       2.40747024      -0.21545222      -2.03354910 
O       5.29701520       7.19774002       9.70805265       1.59532710      -2.40913014       0.34527729 
O       3.03459337       6.25800703       9.12145040      -0.26901182       0.35981217      -0.36450308 
O       7.22638392       6.00948931       0.82662885      -0.43789665       0.50297896      -0.26565305 
O       9.82857733       6.05795996       1.80015898      -1.81627718      -1.00954530      -0.25299169 
O       9.34780761       0.80954163       1.50266258      -0.18101757      -1.41062493       0.02802390 
O       9.02415503       9.14946182       3.82757129       2.56033508      -1.33483899      -0.41151110 
O       9.00948958       8.48963427       0.98777902       2.32355622       1.58412715      -0.53060151 
O       6.07011603       3.60177506       3.91570088      -1.06421921       1.78735693      -0.47661583 
O       6.20248415       6.28849706       4.05693283      -0.54786965       0.28618507      -1.34172590 
O       6.74856295       8.96502163       4.05082507      -5.16542993       1.20499011       0.69798670 
O       8.36518267       1.59878772       6.93659305      -0.54423367       0.93135855       0.12140608 
O       1.06371455       6.57007416       3.81542390      -0.90243889       4.05669385      -2.15872756 
O       8.92867754       3.72011000       3.91101747      -3.31663524       2.54934032      -1.33616094 
O       4.32618085       6.28236115       1.41234440       1.19914624       2.67204663       0.68108712 
O       4.03680246       9.11695778       9.20393379      -0.82859081       4.28011135      -1.07121304 
O       3.54373674       1.55383110       9.00069850       1.71388617       0.76200952       2.14082056 
O       6.62602918       6.62211326       6.64820947       0.24510687       0.57747321       0.78098258 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03002187104439366 0.002979704558175513 0.023527476216185218 0.002979704558175513 -0.034144652274781216 -5.523791125837904e-05 0.023527476216185218 -5.523791125837904e-05 -0.03634343628789519" pbc="T T T" energy=-926.85461572 free_energy=-926.85471143 config_type=crystal 
Hf      10.03411089       0.21046314       0.19045417       3.87128791      -3.17153029      -1.30595436 
Hf       4.83822461       2.70570287       2.31719596       4.46824704       2.87243222      -3.38000399 
Hf       0.18366684       2.73435221       7.88866998      -3.16717867       0.15640531      -1.25514997 
Hf      10.40756741      10.39218680       5.06196141       0.31473271       0.23089550       1.70552274 
Hf       8.02250515       5.38971475       7.96495089      -1.98196328      -3.16455219       2.12572421 
Hf       7.87991605       7.45859122       5.16307369      -1.82170651       1.05630307      -0.74131753 
Hf       7.82802338       2.49058415       9.91808238      -4.05102676       2.75191687       3.93756936 
Hf       7.54121203       0.01487299       2.65252976      -1.92412046      -0.47729190      -0.01029174 
Hf       2.92108104       2.50267879       4.83053237      -2.58642325       2.99723707       2.97486998 
Hf       5.04867446       2.31498236       7.75430062      -2.67134385       1.70317037      -2.84841195 
Hf       5.23446406       9.98662239       4.99873342       2.43373601       2.54673124       4.09911201 
Hf       2.48421945       2.48772939      10.36711743       0.18709663       2.04906531      -0.45290596 
Hf       2.83965945       0.00415069       2.27739268      -1.48322379      -3.41492450      -1.04579149 
Hf      10.10572628       2.42426372       2.61548758       3.98773751       0.21730305      -0.29154500 
Hf       2.11309271      10.43068400       7.55778253      -5.29361088      -3.24214655      -0.43819718 
Hf       7.64608545      10.33003066       7.73064669       2.87106503      -0.14592753       0.28820569 
Hf       2.10234873       5.23981103       8.22980583       2.27019503       3.09276885      -4.54626196 
Hf       5.17722473       5.03524434       5.30730923      -2.82230596       2.94970168      -0.87388565 
Hf       0.12109414       4.97257326       5.10528928       0.66843680       2.07486978       0.80228990 
Hf       2.38584355       7.74935010       5.11673574      -1.00771718      -0.53157554      -0.31352354 
Hf       5.34992435       4.64746367       9.90931631      -2.57173573       7.23533787       2.42403244 
Hf       5.11364162       7.57616464       2.39207042       0.73086193      -1.59539783       0.59325002 
Hf       4.95653391       7.42175888       7.65843169       0.32640657      -0.89529157       1.63083681 
Hf       7.64845060       7.83764380       0.20775145       0.00529546       0.62515436      -2.69911186 
Hf       7.90353272       4.88573258       2.61122626      -0.92884070       2.81513010       1.42900113 
Hf       2.57994771       5.42036167       2.60969589      -3.37785739      -8.09784564       3.85051810 
Hf      10.23397826       8.02881690       2.64607107       1.29481056      -2.39063628      -1.59483311 
Hf      10.03974641       5.11068952       0.29774769       4.04627821       3.74072939      -3.17901259 
Hf       7.82388577       2.79821173       5.28878092       1.35603435      -4.46292493      -1.25691808 
Hf      10.07909304       7.97408485       7.83174579       2.35742922      -0.44491272       0.30415909 
Hf       4.67728805       9.94946675       9.71470423       4.40738478      -1.90423051       3.81584146 
Hf       2.37144206       7.85513366      10.31271872      -2.61342969      -2.15878642       2.88330246 
O       1.51534594       9.15762441       1.24440303       0.94378428       0.78846030      -0.81824978 
O       0.50440229       7.00614890       1.07203706      -0.66985931      -2.09834288      -0.43697537 
O       2.95913489       1.00862005       6.27199751       3.02122663       1.99325675      -3.53892031 
O       0.72221280       1.65263758       4.20519650       0.83292316      -0.02751101       0.40905170 
O       3.21145341       3.60815808       1.47646108      -0.04243909       0.05960778      -2.96703206 
O       1.39765488       1.53026383       8.86027988      -0.31965565      -0.93648931       3.05596880 
O       4.03685876       4.38267677       3.48666319       3.49019531      -3.09326937       2.00761797 
O       5.83166041       2.96443571       0.24180177      -1.08594642      -1.22733761       2.80182209 
O       3.48471082       1.72823284       3.18002823      -1.55904137      -2.72077352       2.38860960 
O       1.80217037       4.22005253       4.28217550      -1.66063981      -1.42219792       1.96490546 
O       1.01248334       0.98423328       1.75328118       0.07651986       1.24727169      -2.10649607 
O       4.09795081       6.63886451       4.26868467      -1.29188267       1.15093111      -1.04429476 
O       3.92429395       1.14773186       0.82991639      -0.96913725      -0.83549823      -1.01034388 
O       8.63647149       1.56964228       3.43384248      -1.74441451      -2.07582394       1.46929985 
O       1.08722310       9.01066996       6.30009434       1.22438332       0.66507067      -0.58799473 
O       6.26796060       0.94013081       3.90251357      -0.73082092       0.24251367      -1.76552224 
O       6.10797604       8.51334837       9.28610570      -2.17284224       2.53781963       0.65782678 
O       0.57406626       1.00096057       6.67114876      -1.49948342       1.20644072       0.93054291 
O       3.11339046       3.53310130       8.59975847       4.82616533      -4.33941782       1.53091793 
O       0.75799517       8.88545276       9.16395186       0.77599626       2.20103059       0.51289732 
O       0.64244131       3.92361113       1.69859958      -0.13574421       1.81857420      -0.40716905 
O       4.07600130       8.62986041       5.93716086      -2.31513019      -0.62111435       1.58696604 
O       8.55549712       8.84157374       8.90074870       0.19884847       1.08272261       1.67939088 
O       0.62784787       6.27548967       8.96207990      -0.64314947       2.46305109       0.68712474 
O       1.74157181       9.48413489       3.70711496      -1.68681049      -0.86467273       2.50968736 
O       3.95137042       5.52053409       7.24452687       0.82613235       4.07332633      -0.89916379 
O       4.11995076       8.63655585       0.70160800       0.13411806       2.21826971       0.54967264 
O       4.46885860       9.50586848       3.38862922      -3.72814757      -1.17950166      -4.87552635 
O       1.38921776       4.24594895       9.63037272      -3.70629443      -4.19803626       5.16597271 
O       8.56906592       4.08557087       0.90631734      -2.59215938      -2.48223996      -0.15844388 
O       5.87029796       1.86050458       6.06196736      -0.21673739      -0.13712366       1.46347010 
O       6.59686690       3.83958136       8.72031905       2.33562360      -2.44121997      -4.42808928 
O       4.06244967       3.56521799       6.24476394      -0.38281198      -2.10643341      -2.75851245 
O       0.55248527       4.38534565       6.93559374       6.88492978      -0.71579055       2.25844993 
O       9.35808814       4.02344528       8.88658018      -1.17900093      -0.99726297       2.08973298 
O       9.21420793       3.83714744       6.45164544      -4.14694242      -2.22120734      -1.68138538 
O       6.94129237       4.38965333       5.65990808      -0.52080999       1.41129299       1.70222544 
O       6.26304933       1.20628083       8.69190907       1.90164280      -2.22434127       1.70178641 
O       6.79648580       0.59776833       0.90582481       0.59950503       0.46098021      -0.08667719 
O       9.12069694       1.44322838       9.17838223       2.62382491      -4.04115628      -4.46390651 
O       6.81491939       8.60633962       1.78729016      -3.02281542      -0.23764478       1.56374705 
O       9.16692070       9.17317614       6.56948575      -1.27461451       0.76170731      -1.52459890 
O       1.09563855       6.57936008       6.38114491       1.80819221       0.61742002      -1.62103858 
O       8.85836718       6.61252213       6.86392486       0.46802063       1.50488082      -2.79784939 
O       8.50187501       6.31701065       9.73125067       1.91059947      -1.59014180      -1.09980721 
O       9.45586202       6.67486060       4.15143948      -0.50716032      -0.68124034       0.30528853 
O       6.36279661       9.36564694       6.87847518      -2.80204983      -0.97779711      -1.59140621 
O       6.38670351       6.34013897       8.60687758      -0.63150656      -2.06263950       0.62905307 
O       3.96866687       6.04882663       9.82010525      -3.77459742       1.40696934      -1.61552425 
O       5.82930761       5.83519620       1.07684743       0.77539230       0.65028836       0.45377996 
O       8.39195982       6.66002811       1.67214762       2.50461138      -0.35730726       1.00185970 
O       9.21258253       1.70607150       0.91512664      -0.98441838       1.36440285       1.93167642 
O       8.99420736       9.26266173       4.05958695       1.15794668      -0.24434222      -1.89203686 
O       9.08942581       9.30429627       1.20300094       0.61685846      -0.11897325       0.61017072 
O       6.56710615       3.58711610       2.97214092      -1.06962496      -2.13207179       0.47845618 
O       6.71190299       6.05627165       3.66979699      -0.69359532       2.36251806       1.65502388 
O       6.54086655       8.80920702       4.34494968       2.00086005      -1.90569011      -0.51841859 
O       8.35044071       1.12029336       6.34661378       0.61818636       0.80300240      -0.42109143 
O       1.36594460       6.71020747       3.54614334      -0.91520755       1.42425960       1.69313810 
O       9.28243489       3.81351707       3.97043628      -0.77708248       1.80552834      -1.30940625 
O       3.14200798       6.74483845       1.70385267       3.96190016       6.96570357      -4.56366692 
O       3.22281238       8.59370786       8.70227270       1.97579387       0.51956084      -1.51949042 
O       3.49270240       0.48416673       8.67845770       3.86220736       4.47337271       1.00994790 
O       6.07556986       6.71596336       6.25276692       1.83208461      -0.01530478      -2.55046269 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.051253683940911 -0.005733252832895164 0.0016281178592516884 -0.005733252832895164 -0.03294542191836732 0.007444579951518914 0.0016281178592516884 0.007444579951518914 -0.03476332275538345" pbc="T T T" energy=-926.34977724 free_energy=-926.34989796 config_type=crystal 
Hf       0.31483711       0.00952142      10.40027550      -0.54693619      -3.31651328       0.84898212 
Hf       5.19642633       2.57789550       2.47875724      -1.96330275      -2.05598366       1.06789187 
Hf       0.17916428       2.40417918       7.75322155      -2.55743560      -1.68195146       0.63247541 
Hf       9.91023420      10.32757863       5.26989319       2.03802255       0.09281830      -1.51035021 
Hf       7.89690270       5.03005143       7.70340139       1.75287732      -3.17541489       0.47272174 
Hf       7.77330587       7.77268052       5.07041559      -1.88035965      -1.34164471       1.49120035 
Hf       7.72485302       2.43883455      10.32559571       2.76174828       0.61620461       0.95012064 
Hf       7.36030083       0.06547424       2.62451331       4.08822796      -0.85750302       1.12183498 
Hf       2.54465223       2.67608091       4.90398678      -0.54694798      -3.55659764       1.80771835 
Hf       5.22502648       2.63471786       7.84055676      -2.89993051       3.49990948       1.62937233 
Hf       4.92249552      10.44245345       4.76379130      -3.79600754       0.69665595       2.42003474 
Hf       2.81223047       2.52322310       9.94575135       0.15937948       1.41293862      -0.10311929 
Hf       2.43876150       0.39343398       2.43521325      -1.45149877      -2.93030458       1.07104761 
Hf      10.33191060       2.40023866       2.98167186      -2.58221415       1.19861874       1.31196701 
Hf       2.31012405      10.16703592       7.60232574       1.42739645      -0.43562814       0.01918215 
Hf       7.61470788      10.45102097       7.71074176       1.41053524      -0.41300894       0.65941309 
Hf       2.18136949       5.22286636       7.81632112       1.70912403      -0.34040765       4.20046619 
Hf       4.92552915       4.95919494       4.95301863      -3.19110273       0.64559580      -0.88979072 
Hf      10.10537284       5.19421242       4.99733356      -0.03081876       0.10001823      -3.04348953 
Hf       2.36920271       7.41116740       5.35333874      -1.90090300      -0.60544553      -3.04717376 
Hf       5.28054004       5.42259359       9.72819977       3.40448552      -0.35738352       2.77592233 
Hf       4.88067510       7.90069523       2.72532783      -0.88453510      -1.18950410      -0.46052951 
Hf       5.00075873       7.59471127       7.31918248       3.22993976      -0.45392734       2.13200684 
Hf       8.12450832       8.06161295       0.22850907       1.18859897      -4.43037707       3.05630236 
Hf       7.36439709       4.94925718       2.61327450       0.70534271       2.48177727      -3.19120448 
Hf       2.63422710       5.17572105       2.00184757      -0.21519185      -0.70481500       2.07874620 
Hf       0.30927537       7.85000334       2.39412902       0.47093226      -2.83187080       1.52673398 
Hf       0.01357539       4.91305365      10.45012182      -2.36031826      -3.33271964       0.03003143 
Hf       7.68349761       2.98246374       5.23297744       2.00208269      -6.91539856       3.69983146 
Hf      10.15818507       7.58154479       7.76347079      -3.15118350       4.07651211      -1.39911344 
Hf       5.06531802      10.18553733      10.19206688      -0.99159218      -0.36670180      -0.30857989 
Hf       2.80168944       7.72231162      10.39940346       1.99900230      -2.54709266      -2.72813515 
O       1.31044004       9.35398508       1.50111630       1.69821081       0.95697823      -0.26740517 
O       2.11123705       7.04880620       1.51240211      -2.29098028       0.11070471       4.36342966 
O       0.54773633       0.33141913       6.92070295       0.37007292       0.40309981       1.49483137 
O       1.41675748       0.99969793       4.15439032      -1.54470296       2.21134666      -1.43492281 
O       3.42827184       3.35113804       1.22590014       0.45522001      -0.36394132      -0.91194386 
O       1.41499602       1.25436946       9.21987664      -2.16689224      -0.48732954      -0.07755352 
O       3.29304937       3.91863110       3.54798968       1.52648549       0.87850053       1.18272176 
O       6.09097642       3.73554503       1.36411029       1.47964884      -0.23313500      -1.76005283 
O       3.80597240       1.29882413       3.65381667       1.44273389       1.69392315      -1.23791387 
O       0.55421910       3.48282251       4.62629045       1.58709360      -1.56516384      -0.54951029 
O       0.50353181       1.12619986       1.75821066       2.24608114      -1.25068503      -3.67170360 
O       0.84554870       5.61728427       3.39580202       0.34590078       3.09153570       1.83754198 
O       3.37080403       0.82975290       0.66958184       0.09390878       0.19315633       0.51850239 
O       1.70729835       2.59666642       6.67959771       0.35250262       2.45006938       1.01282304 
O       1.46130979       8.11490569       7.42139528       2.29913263       0.27384260      -1.60296703 
O       6.42978406       1.32334717       3.98001118      -0.83233334      -1.61825053       0.50425084 
O       6.75780995       8.94540933       9.91203784      -1.61557380       2.17566384      -3.23153976 
O       8.53289264       1.08011425       6.29916159      -0.98666092       1.67322750       0.72746822 
O       3.66176920       4.29969571       8.82912095       2.82279001      -7.48472170       1.37920691 
O       2.00182936       9.17630742       9.58260519      -3.44631357       4.92121569      -1.56575479 
O       0.72536983       3.91279358       1.86830587       1.22840054       0.19624636      -3.43643049 
O       3.58411126       8.41120172       6.39058197      -0.25395150       1.45709689      -2.24857482 
O       9.83871688       8.70078744       9.51958622      -0.60575924       0.60511162      -0.92354251 
O       1.73298335       5.95499631       9.74716013      -2.05252477       0.73614089      -0.95666373 
O       0.84724653       8.76939380       4.34322349      -0.32299430      -2.00847282       0.77834127 
O       3.52665119       6.70422122       3.80241075      -1.05126813      -0.72042990       1.45692591 
O       4.30627079       8.62342004       0.85247597      -0.25495578       1.20970831       1.21003215 
O       3.40592556       9.31055715       3.75600823       1.69116741       0.35715935      -2.05089240 
O       1.18227493       3.86559060       9.01875144       0.78209505      -2.89503824      -0.64066305 
O       8.54935713       4.36634604       1.25763324       2.00230514      -2.02538422      -2.03376176 
O       6.05626967       1.11315970       7.43378936       1.81271259      -4.46533374      -3.20534812 
O       7.04638956       3.98020407       9.19722380      -4.26459941      -0.62745325       1.25139338 
O       3.03167748       0.46164095       5.89224620       2.58988653      -0.60049695       1.18768656 
O       4.17918150       2.96271684       6.25856205      -0.84644378       0.71797707      -2.79143084 
O       9.30573872       3.47342282       8.73736252      -1.03205201       1.30489973       3.25825633 
O       8.69062613       6.42524634       6.41646771       1.27929482       0.88488796      -4.13922165 
O       9.17833242       3.65994672       6.46174470       0.09664729       1.73126000      -1.39093055 
O       6.51392948       1.01999995       9.84278362      -1.02151909       1.29291514      -2.71110288 
O       6.04484979       0.78842063       1.44798946      -4.10715019       1.20177422       2.16103002 
O       8.36825837       1.56202310       1.63229903       0.53834909       0.49563118      -0.52097686 
O       6.42998700       8.67809787       1.83271828       3.70729123       1.04929249       1.52182558 
O       9.01095621       9.19633533       6.61377714       1.51697534      -4.01688610       2.88416716 
O       0.96872081       5.75197401       6.35935575      -1.57225619       1.92967748      -0.10771284 
O       5.97815173       6.38141588       5.58089402       1.24692089       1.63852797       0.27549552 
O       9.08312956       6.32335149       8.57695461       0.52981736      -2.54895834       5.91207144 
O       6.44066964       3.66611090       6.77809041       3.43423963       2.78286729      -3.02946223 
O       6.70381199       8.88258649       6.71674434      -2.52211480      -0.75469475       1.22039916 
O       6.45869160       6.23625994       8.09580226      -2.91336969       1.43438131       1.53905648 
O       3.85395051       6.28927229       8.82071994       0.15837777       7.23652939      -4.14230545 
O       6.96002478       6.20852786       0.66142166       0.07612717       1.79222457      -0.81860272 
O      10.27515951       6.44897468       0.87336085      -1.68620723       4.25348057       1.87944465 
O       9.05907833       0.98588862       3.92774622       0.52604934       3.39100766      -1.56782689 
O       8.35466529       9.37040184       4.39257675      -0.44018372       1.06273945      -2.84018154 
O       9.43788800       9.00196271       1.62061990      -3.65512346       1.53567436      -1.30778789 
O       6.18891975       3.58555517       4.25256401      -2.01957638       1.22527606      -3.43838812 
O       5.43763184       5.53453064       2.92244877       0.10190664       1.96106384       1.28040342 
O       5.82666437       8.76027199       4.40804056       0.34863764      -0.63748743      -1.56044510 
O       8.79435370       0.96530453       9.22742339       2.60670178      -0.75316978       0.16572487 
O       8.79496765       6.86602480       3.39370596      -1.21327485      -1.38252673       1.85864310 
O       8.68676713       3.95219987       3.92750686       0.43336890       1.17924903      -1.41811512 
O       3.96738402       6.05199108       0.59256861       1.16658152      -1.73482124       2.75894542 
O       4.22483695       9.02312924       8.61023116       1.62627606       0.80293853       0.52708466 
O       3.87282641       1.40391796       8.69473338      -0.55490801      -1.06837683       0.90376121 
O       3.39595734       5.54773030       6.30509174       1.50887027       1.62740643      -1.77498557 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02521051986754843 -0.002408802169434328 0.0025434145506163163 -0.002408802169434328 -0.04338643228066257 0.0051292078247257376 0.0025434145506163163 0.0051292078247257376 -0.03915627284504687" pbc="T T T" energy=-929.62990824 free_energy=-929.63000068 config_type=crystal 
Hf       0.21635310       0.27104810       0.46268475       3.50503990      -2.43559339      -4.89545401 
Hf       5.02643755       2.61641875       2.49588508       2.21600544      -1.10651193      -2.50902479 
Hf      10.04184687       2.63132838       7.49685052       3.49067734       0.72563454       1.01448955 
Hf      10.46548495       0.21621913       5.01332676      -2.96394317      -4.78346576       5.19988165 
Hf       7.86662408       4.91585985       7.43242760      -4.11845504       0.29502653       0.78686299 
Hf       7.52349840       7.46648462       4.94191305       3.19826262      -1.10657775       1.49679566 
Hf       7.94388473       2.21217193      10.41006443      -2.42562036      -2.65070141      -4.97430964 
Hf       7.49108019       0.06792302       2.62216794       2.27582493       0.13007382       1.18610769 
Hf       2.54824046       2.70383068       5.22936409       2.23455722      -1.75749317       3.82731540 
Hf       4.94062131       1.46046360       8.35020460       4.28788645       1.99525456      -3.29419953 
Hf       4.91370444      10.38963033       5.29992899       1.32346424      -2.17927908       1.19383791 
Hf       2.73203164       2.81731872      10.42277176      -4.97285656      -2.00209878      -0.81668559 
Hf       2.72146989      10.10382792       2.83324618      -2.22594455      -0.66954841      -1.52072283 
Hf       0.15164864       2.58051090       2.54216096       0.22358998      -0.88267943       0.94838265 
Hf       2.34204648      10.31755620       7.87543484      -3.50843597       1.59512835      -1.30670501 
Hf       8.00971043       0.01450929       7.40896217      -1.16139973      -1.72557257       2.24292976 
Hf       2.12900949       5.02090188       7.82740985       2.28569716       2.14247740      -1.97762905 
Hf       5.01268225       5.11613184       4.68821759       0.46685167       3.51625172       5.25119987 
Hf       0.03162624       5.10929752       5.04747472       1.75140565       0.30275710      -1.88182746 
Hf       2.40440693       7.40006140       5.16957833       2.75779337       3.73951720       0.28078504 
Hf       4.96161923       5.06165464      10.33091076      -1.67941268       0.66741551       2.94653502 
Hf       5.24246526       7.45279305       2.42340057      -2.20137392      -0.14766097       2.63082429 
Hf       5.50988431       7.73015321       7.87686390      -2.25133170      -2.30929331      -2.85347659 
Hf       7.96920174       7.94351130      10.12686863       1.12209657       1.06161428       1.36646672 
Hf       8.20958325       5.02520097       2.40472228      -2.63750395      -1.80442670       0.98888945 
Hf       2.27735836       5.66660257       1.89763886       2.10355890      -2.98400487       2.03664884 
Hf       9.97492735       7.94955961       2.42171802       2.75368069      -0.05610648       0.27282007 
Hf      10.06873402       5.07084627      10.21043035       3.52757745       0.30325698      -0.50501383 
Hf       7.21299796       2.67689424       5.15713601       1.97386233      -2.30621149       0.93292890 
Hf      10.05357917       7.86330839       7.52322492       1.05441007       0.40998789      -2.09965211 
Hf       5.37095367       9.96908700       0.22114233      -3.11272100       5.73241583       1.37331968 
Hf       2.57507862       7.79201536       9.97695800      -2.70380352      -0.77957780      -0.14595147 
O       0.96313395       9.13537034       1.90765774       1.91508758       2.74808211      -1.58265661 
O       1.44600590       6.28797249       3.98971261      -2.12124410      -2.74067006      -3.92511409 
O       3.76769740       0.92306201       6.93307840       0.26722060       1.31841334      -3.03716747 
O       1.08759632       0.99257683       3.83769064       2.84163699       2.62960163      -3.14547733 
O       0.79548196       3.99713022       1.29697778       0.02461607       0.09885312      -1.60234299 
O       1.81792504       1.33987361       9.31482234       0.54394041      -0.84242952      -0.33033928 
O       4.39668588       3.47256271       4.20080446      -2.08080453      -4.24113643      -3.02116165 
O       3.65135617       3.76831627       1.39617140       0.47072967       1.97991157       2.78686136 
O       3.79695588       1.04509633       4.14395101      -3.57636507       0.61781341      -1.03221165 
O       1.44876448       3.61080949       3.99697762      -0.18662259       0.43509501      -2.10366353 
O       1.40823537       1.47369591       1.40511707       2.59654710       0.44365905       0.30908211 
O       3.58129564       7.04035454       1.12664739      -0.36783957      -0.36097377      -1.72722519 
O       4.47184094       1.43990086       1.01430781      -2.50922546      -0.08797907      -0.33779913 
O       8.55821750       1.28521995       3.91923919       1.47185241      -0.97063628       0.59280538 
O       0.76078787       9.51574334       6.77731601      -0.36831264      -2.24968166       0.37912099 
O       5.93852429       0.71460063       3.58181989       0.69920106       1.81009146      -0.15728729 
O       5.96381659       8.39895187       9.72472541       1.57091097      -0.95635265      -0.74065548 
O       1.09982995       1.39890790       6.59057765       1.03715398       1.08438701      -1.55725928 
O       2.43523910       5.17585899      10.15897119       2.12184188       1.47264492       0.03578760 
O       1.52637208       9.38839397       9.56299237       0.75398935      -1.21087048      -0.04516376 
O       8.62907524       3.58042464       0.88478617       4.26949837       6.70339289       2.61554853 
O       3.38856611       9.17206253       6.01909121       0.45140705      -0.48944252       0.75089523 
O       9.53382506       9.26411308       8.72697702      -3.75575767       0.77687311       0.89167709 
O       0.63638505       6.41304065       1.36388705      -1.53984197       1.84797819      -1.19619394 
O       0.73922383       8.75800700       4.21071543      -0.98539458       1.04445973       0.93647433 
O       3.89445470       6.10176655       3.22819253       0.32100180      -2.04432153      -0.00675247 
O       3.46050072       9.52460183       1.06963266       1.50742583      -0.13414308      -1.51225625 
O       3.54777889       8.50592041       3.47374141       0.62411499       0.86134513       0.62131541 
O       1.28938707       3.73929266       8.84917294      -1.01215006      -2.88659649       2.07512395 
O       6.18296563       3.94609190       0.76007313       0.89442302      -2.19537000       1.46945237 
O       6.41397937       1.10208835       6.16266340      -0.28574843       0.60799706       0.95395644 
O       7.48413262       3.25163671       8.54809574       0.65898008       0.15109937       1.48825932 
O       3.84418387       3.58973443       6.49685629      -3.25784558       1.01269230       0.47290793 
O       1.08743797       4.01466424       6.40150983      -0.38414536      -1.12716876      -0.63693261 
O       9.82519601       4.63715792       8.16739671      -2.15015087       0.99300840       2.44868126 
O       8.68949316       3.52282705       6.24332724       1.95814912      -1.12863029      -1.72995864 
O       6.33970033       4.02809029       6.18745637      -0.40511417       1.39148485      -0.66172417 
O       6.75909331       0.85579804       9.18979332      -0.47718678      -1.73122237      -1.06453902 
O       6.68618943       1.11207153       1.05807400       1.63196676      -0.95848477       1.60910031 
O       9.63646834       1.76679975       9.23305536      -0.88787399      -1.38740870       1.57638700 
O       6.09521178       9.21246500       1.84591773       1.01846385      -1.16734799       0.08386772 
O       8.57287782       8.95291046       6.18671756       0.95952717      -1.20470915       0.07189205 
O       0.53888402       6.91471943       9.01827962       0.63152381      -1.54895365       1.37896085 
O       8.15392242       6.84840956       8.60559306       0.09167505      -0.28778853      -1.40467945 
O       8.76959099       6.45780899       0.74140499      -0.26698239      -0.89837555       0.59766220 
O       8.99660778       5.85896850       6.03601694      -0.89105555       3.42121968       0.79224710 
O       6.33755434       9.49473705       7.27397488      -2.76943734      -2.77212787       0.45643150 
O       5.53460537       5.55809854       8.69176757       1.76005134       1.90747392      -2.40438766 
O       3.90194903       6.25984594       5.78201995      -1.71261027       0.33097745       0.44789454 
O       6.02645324       6.60356056       0.90319078       1.44478797      -1.02170176      -0.63002531 
O       8.98462817       6.29476129       3.62758482       1.09477623       1.11486181      -0.38571113 
O       9.36464595       1.18802925       1.49750630      -1.90142332       1.83120166       0.85734821 
O       8.42617445       8.59509787       3.33293345      -1.39925539       2.55275178      -0.28022994 
O       9.30288689       9.36209680       0.81607023      -3.86060955      -3.94435825       0.17441074 
O       7.07414979       3.60422520       3.46855363      -1.85595029       0.95770970      -2.52800975 
O       6.37208589       6.23310124       3.77439452       1.49568271       0.17456590      -2.58844722 
O       6.27939230       8.72179866       4.58442596      -4.20822704       3.30832226      -0.64245474 
O       9.17292024       1.13780446       6.45495778       0.12693082       0.49985505      -1.26267603 
O       1.14941410       6.46874282       6.33085817      -1.53780288       0.24305157       3.05812712 
O       9.64543746       3.99373572       3.48037782      -2.19178118       1.00670319      -0.13534630 
O       3.25725476       7.06273243       8.22028965       1.13509072       1.82989324       1.71263935 
O       4.10119868      10.35782491       8.94731408       0.65285414      -3.47734864       3.15570599 
O       4.11284181       2.96155520       9.09966814       0.39069011       2.83114467       1.25793716 
O       6.20431961       6.60058072       6.42891882       2.77810887       1.08292864       0.15355269 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012076092185354152 -0.00037580867938227254 -0.013594750227427612 -0.00037580867938227254 -0.03893684709919842 0.01173437314957979 -0.013594750227427612 0.01173437314957979 -0.027256507480551546" pbc="T T T" energy=-923.44213098 free_energy=-923.44689691 config_type=crystal 
Hf       0.30459143       0.32117178       0.32888171       1.16647075      -1.52031896      -0.61783403 
Hf       5.05493974       2.58380963       2.53344031       1.56934250      -0.91225847      -4.66040735 
Hf      10.05812119       2.58133961       7.60345661       2.25107311      -0.10630465       1.69018216 
Hf      10.44307294       0.13733476       4.88775423       0.55518523       1.00488729      -0.59985860 
Hf       7.80219018       4.92154938       7.55157357      -4.63109569       1.71687257      -0.26236286 
Hf       7.70210599       7.52981779       4.93777366      -2.50447053      -1.50315423      -1.38238792 
Hf       7.83242284       2.22722547      10.42627658       0.79729835       1.31114598       1.07959754 
Hf       7.45272481       0.11989943       2.61938383       1.81891225       1.87121244       1.68647645 
Hf       2.49053810       2.62169299       5.36278166       1.45256985       0.27025104      -3.18551129 
Hf       5.02066712       1.39595036       8.37115060      -3.06597928       2.14607994      -1.37048394 
Hf       4.81454075      10.36757532       5.32758184       1.31927913      -3.41552381      -3.07419876 
Hf       2.70252167       2.85488725      10.40065249      -2.06419949      -2.15564029       2.89262232 
Hf       2.62367361      10.10354512       2.80927534       1.91572636      -0.40331554      -2.60448938 
Hf       0.10327188       2.50725095       2.60819598       2.55449535       0.71029823       0.68942862 
Hf       2.27528259      10.25746148       7.95807188      -0.89632438       0.58530209      -1.04657028 
Hf       8.14379732       0.04008230       7.38403158      -4.14811560      -0.89286261      -0.98768852 
Hf       2.06021202       4.99909419       7.97033910       2.60402341      -0.03884846      -1.68983552 
Hf       4.95036440       5.07517467       4.69554770      -1.12345321       2.87506608       2.07662015 
Hf       0.01979033       5.24667372       5.13879933      -0.25405745       0.61873265      -3.66755067 
Hf       2.39468592       7.47179600       5.23658367      -0.25600908      -1.24131524      -2.73529252 
Hf       5.01140223       5.01073428      10.25839663       1.88405776       1.16185639       0.60095313 
Hf       5.34619022       7.54445843       2.40252898      -3.00267589      -3.44831719       3.20492787 
Hf       5.52577357       7.68659330       7.78701450      -2.68536170      -4.24815557      -1.10485002 
Hf       7.86188415       7.96332130      10.08354767       1.65611166       0.10358461       1.79222147 
Hf       8.34750599       5.05802235       2.38147643      -4.30613337       4.97371134       1.76965105 
Hf       2.27507149       5.70753923       1.77102369       0.44497133      -2.83416638       4.23928253 
Hf      10.08577446       8.04686733       2.49084633      -0.28276602       0.84052114      -2.96105202 
Hf      10.18123437       5.00002830      10.19627775       1.59592289      -1.96779816       4.98873289 
Hf       7.28315175       2.65747965       5.17834628       1.45974283      -0.85271645      -1.60373471 
Hf       9.98639109       7.85251094       7.41242272      -4.64760693       0.01377612       3.58518852 
Hf       5.24352528      10.00934503       0.21617224       0.85994282       1.06015131       1.22960289 
Hf       2.64162775       7.78878256       9.96159279      -0.43937447      -0.42070575      -0.72407984 
O       1.24931146       9.29379972       1.67808583      -2.92557724      -1.70572988      -0.57017444 
O       1.34474730       6.10351786       3.79546308       0.88874715       0.67463976       2.01076073 
O       3.85343578       0.93670439       6.71618126      -0.12141566       1.45955002       2.29933894 
O       1.32711604       0.84913830       3.60535440      -4.72652874       0.93595764       2.83942851 
O       0.97579805       3.71852416       1.12464489       0.67460078       2.17521900      -1.13803438 
O       1.75645642       1.14490139       9.41136675       1.04623501       0.96246337      -1.95676112 
O       4.32276374       3.26587525       4.02665390      -0.08269837       1.97547651       3.27905241 
O       3.56731688       3.99219405       1.74722785       0.72764871      -1.02838934      -3.04441171 
O       3.54876104       1.03485955       4.02053599       1.68925521      -0.18704962       1.14551564 
O       1.64055560       3.37582153       3.69658282      -1.16331310       0.06264785       1.67682629 
O       1.65460156       1.46401834       1.40410698      -0.72548050      -0.43718220      -0.84410379 
O       3.76431494       7.02259434       0.85558820       0.82080804      -0.65386067       2.48863112 
O       4.17181277       1.28799088       0.58073459       0.93513252       4.24150843      -0.98520994 
O       9.10198065       1.25545711       3.57636166      -0.17658645       0.04062987       2.43364983 
O       0.72534188       9.25709340       6.94859831       1.48747451       2.46479582      -0.84576894 
O       5.97885537       0.67574298       3.78590106       0.61508265       2.46901442      -0.70868805 
O       5.84206266       8.33653605       9.66705906       1.96347132      -0.56135929       1.62248251 
O       1.21743916       1.54347532       6.40571808      -1.04659251      -1.63286770       1.70715980 
O       2.74594918       5.45036628       9.95761197      -1.04789737      -1.20932521      -0.14770088 
O       1.57580646       9.29470871       9.54984672      -2.15307264       0.31171828      -0.82506272 
O       8.80258621       3.98128837       0.99162943       1.14989099      -2.47953087      -3.60023269 
O       3.25814763       9.05461617       5.73782444       0.52331797       3.18814893       3.87624083 
O       9.12932077       9.61107860       8.58670147       2.04334464      -4.82596923       4.21137006 
O       0.14827434       6.05043382       1.71767831       2.09512572       0.49580478      -2.39596494 
O       0.37509092       8.86763469       4.17515222       1.48693813      -0.86188870       0.86538337 
O       3.76117958       6.10415546       3.24231646       1.29655149      -0.75717702      -0.31108661 
O       3.55087416       9.62196564       0.89887713      -0.45883990      -2.68399151       1.46513191 
O       3.63956966       8.64837784       3.59185802      -3.75447680      -0.56785207      -2.73901641 
O       1.10702295       3.54838394       9.20261369       0.41393600       1.65032664      -2.96869953 
O       6.29753326       3.70278561       0.61753427      -1.42887881      -2.61483552      -0.64029562 
O       6.79786001       0.92460473       6.21379435      -3.80964267       3.49306945      -1.52042884 
O       7.67149989       3.20067291       8.80535546      -0.75481736       0.93300339      -2.51865743 
O       3.51085298       3.94502477       6.30502978      -0.06946311       0.12510052       1.36984245 
O       1.06744407       4.07917822       6.38522306      -1.16441842      -0.65743330       1.65928620 
O       9.55942790       4.70114073       8.43673150       0.40060203      -1.74430362      -1.83996261 
O       8.73230923       3.31372137       6.38621390      -0.26456819       2.23357165      -0.67966433 
O       6.43449092       4.17498246       6.01019494      -0.41292458      -1.58408366      -0.44984044 
O       6.60242162       0.75055517       9.05410009       2.43630882      -0.58319684       0.88848571 
O       6.78089252       0.95335506       1.05665217      -2.29944128       0.62107237      -1.71032002 
O       9.56391047       1.42144309       9.37034951      -0.42214740       1.42908841      -2.69395073 
O       6.39948651       9.02818766       1.82019914      -0.34286386       1.09918186      -2.78190780 
O       8.47517249       8.69194790       6.24352861       2.38354079       2.50955396       0.77659559 
O       0.23930652       6.65576743       9.47612867       2.42992145       3.31321208      -2.09391108 
O       8.05612583       7.02499738       8.29996171      -0.06245221       0.36619868       2.49363116 
O       8.38090657       6.79632096       1.08718657       0.66334128      -0.70101001      -0.58307038 
O       8.98928396       5.98424913       6.34693163       0.21409604       1.05230452      -2.83342349 
O       6.27831491       9.27202479       7.24148078       0.64752869       3.00267996      -1.28430445 
O       5.65574305       5.65272481       8.45156169       0.92582576      -0.75630009       2.76185148 
O       3.68291543       6.21400817       5.80621865       0.05938655       0.58446221       0.54770673 
O       6.15244766       6.04398685       1.14154425      -1.47312574       1.05732178       0.28486670 
O       9.49517140       6.66080784       3.69353611      -4.60645368      -0.96055904       3.33603338 
O       9.38307473       1.47859545       1.27390337      -0.16785366      -0.62819451      -0.72922077 
O       8.39329666       9.19191566       3.29983943       2.63721428      -5.23646028       3.42532299 
O       9.21534571       9.06985140       0.90352088       0.12991181       1.76509562      -1.88648145 
O       6.90110928       3.57315723       3.19436452      -1.34263485      -1.48030960       1.08520249 
O       6.51691675       6.29133371       3.87429471       0.16392357      -1.39212784      -2.32561333 
O       5.47801243       8.49530946       4.34450089       5.29462630       0.64134281       1.76685071 
O       9.30052373       1.15766104       6.20486511      -0.25300349      -1.14778454       1.79360964 
O       0.76650388       6.74623883       6.59200901       5.13389021      -3.14776221      -2.11477933 
O       9.38888023       4.13484678       3.68677254       2.03189292      -1.88330399       1.85713258 
O       3.34103125       7.30548201       8.22177762      -0.03975370       0.48705448      -0.18378425 
O       4.12085546       9.94139647       8.95288084      -0.36558839       2.20169746      -2.18347949 
O       4.13828147       3.47896101       8.77666216      -0.98537015      -2.51003275       2.21744230 
O       6.33654184       6.56217040       6.35511578       1.77243820       1.25131684      -1.27838766 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.029558452623252757 -0.020558858344564356 0.009777128199622773 -0.020558858344564356 -0.03193707705861439 0.030523933344864848 0.009777128199622773 0.030523933344864848 -0.021526243413025843" pbc="T T T" energy=-918.52747781 free_energy=-918.53463372 config_type=crystal 
Hf       0.43694574       0.32270905       0.13789689      -1.70299055      -2.05990550      -1.59858871 
Hf       5.10967074       2.52488409       2.46826163      -3.94018649       0.13988155      -2.01783107 
Hf      10.13034048       2.53577762       7.74724786       0.09706854       3.44635940      -4.72701506 
Hf      10.41054514       0.05509973       4.78816017      -1.94497876      -3.05339299       6.59076904 
Hf       7.63204242       4.96084975       7.66321202       1.46286207       0.29753556      -3.37976571 
Hf       7.84285315       7.58782063       4.90621744      -5.87582998       2.54518836       1.10500772 
Hf       7.72472167       2.25518864      10.42529956       0.17071806      -0.36266708      -3.69547172 
Hf       7.47237060       0.18594931       2.64554420       2.77217619      -1.89883922      -1.47247325 
Hf       2.46646856       2.54018044       5.46158364       0.48707914       2.86622997      -0.12323283 
Hf       5.04879660       1.37992870       8.35781279       1.24949282       1.68207075       0.89516146 
Hf       4.74289909      10.27094027       5.30910261       1.87544220       0.10808386       1.65567374 
Hf       2.61559862       2.85578598      10.41879241       0.81146980      -0.90527579      -2.12347008 
Hf       2.52389912      10.12135211       2.71645898      -0.91293453       0.87874858      -1.69883803 
Hf       0.10680611       2.44419764       2.69670937       0.25377525       2.38937380      -0.20461386 
Hf       2.18017037      10.20937630       8.00554018       1.71584541       0.62861849      -3.56712414 
Hf       8.20133776       0.02618999       7.37320136      -5.36685499      -1.64009866       5.46213925 
Hf       2.04314929       4.97879238       8.06614544       1.69117190       0.11521414      -5.96610622 
Hf       4.85518205       5.10130385       4.76138292       0.06014745       1.08124276       1.29389152 
Hf       0.01453525       5.39948662       5.15576263      -0.22035976      -3.18928136       0.93296978 
Hf       2.38201774       7.53579744       5.25607729      -1.73179320       2.32734025      -1.58886644 
Hf       5.09007289       4.98073794      10.20481346      -1.55497956      -1.42574292       4.15647148 
Hf       5.39808478       7.55942929       2.45666247       0.42975874      -4.30053039       0.15158798 
Hf       5.49150106       7.56843346       7.65746252       2.38776403       1.12443426      -0.27129845 
Hf       7.78995467       8.02397021      10.10443203       2.44667006      -2.39044361       3.66277537 
Hf       8.40604387       5.18368823       2.39104756      -2.23730100       1.36533878       0.94430552 
Hf       2.29653024       5.67895238       1.73260384       2.67530596      -2.88020364       3.55051870 
Hf      10.18990687       8.16182577       2.50730119      -4.44668017      -3.18672811      -2.69146255 
Hf      10.36270498       4.90963204      10.24715562       0.35225032       3.55614140      -2.24082022 
Hf       7.40423773       2.61436152       5.15577226       1.26813612       3.45365258      -0.36823880 
Hf       9.85268015       7.83336993       7.37019244       1.66440091      -1.73531779       4.33979915 
Hf       5.12206953      10.08997099       0.22533969       0.51836154      -1.41846796      -2.71150976 
Hf       2.68115576       7.78503179       9.91906861      -1.06687554      -0.79829558       0.99349310 
O       1.03037070       9.19681321       1.39287916       1.14398603       1.07016436       2.30594539 
O       1.37680192       6.03070210       3.85701491       0.95664836       1.60211938       0.15233672 
O       3.97113197       1.32612050       6.83156787      -1.41875573       0.49730707      -1.96782721 
O       1.06435791       0.95402228       3.65677923       3.82714169      -1.82231041      -1.62110666 
O       1.30470927       3.99374576       0.79504343      -1.03796972       0.80546298       3.63215406 
O       1.88139762       1.22743397       9.17560566      -1.93730761       1.09296313       2.01288864 
O       4.21387141       3.32939189       4.40276360       0.08548845      -1.26449364      -1.63610731 
O       3.66172221       3.99283740       1.47625929       0.14923421      -0.71133159      -0.47185172 
O       3.49254059       0.95737911       4.03421364       1.26420660      -1.65378894      -0.68499026 
O       1.55729081       3.22076519       3.64460505       1.11490610       1.11570451       1.80572252 
O       1.79779037       1.37235557       1.29194281      -1.53222007      -0.71048429       0.23535256 
O       4.06965219       6.77319065       1.08915568      -3.22676719       0.80852198      -2.59882772 
O       4.21347788       1.78063941      10.42948468       1.95167066      -6.05481836       0.85492338 
O       9.35128637       1.22501167       3.67241239      -5.52523166       0.23033252      -0.83307484 
O       0.87325190       9.32604294       6.90507733      -2.99629444      -2.23887655      -1.46876061 
O       6.24691077       1.21026605       3.75106358      -0.18652038      -3.03790411      -0.20579573 
O       5.92759423       8.19423833       9.90312828      -4.33149912       0.38036889      -3.56774834 
O       1.17043870       1.35319269       6.53979680       1.17046319      -0.07397901      -0.40392072 
O       2.91561507       5.59422231       9.81665653      -0.58901823       1.19803226       1.22235561 
O       1.22947184       9.17266884       9.41828240       1.15194354       1.37622735       0.88526166 
O       9.03415224       4.07205377       0.78937357      -3.90006555      -1.53025211       1.62415771 
O       3.21374132       9.53976557       6.28142086       1.14948861      -2.03667947      -2.78828154 
O       8.85489638       9.07309959       9.00793745       2.55999501       3.11726583      -5.62582565 
O       0.07171137       5.89564793       1.64758345       1.37024006       2.19729516       1.10448290 
O       0.44664195       8.62704584       4.27821488       3.01274189       1.36756981       0.08248493 
O       3.91058772       5.89514806       3.20670458       0.15678027       0.61729159       0.77887327 
O       3.54940146       9.14914867       1.01647797       0.82624700       2.18992580      -0.26840677 
O       3.17352150       8.45954258       3.32964245       0.39894966      -0.56907637       2.11123308 
O       1.01726513       3.59119656       8.95435050       1.45698574      -1.01993856       2.66161389 
O       6.04308529       2.95565928       0.46712566      -0.93240827       4.87657815       0.47083906 
O       6.43256252       1.35951124       6.17278767      -0.13694949      -1.86653355       2.39610322 
O       7.60403958       3.26026316       8.66340804      -2.51400215      -1.45805365       1.16055728 
O       3.03941546       4.28677362       6.43891896       1.00087110      -2.22399349       0.21569147 
O       0.76444790       3.93133560       6.70063592       0.07020555       1.07354630      -2.92964724 
O       9.44161774       4.52878189       8.51200001       0.39894003       1.87046322       0.52689108 
O       8.80555683       3.52302193       6.36822282      -1.37893959      -0.86799893       0.35930874 
O       6.34540409       4.15589368       5.85530753       0.81630076      -0.62633959       0.49718292 
O       6.95173157       0.50675907       9.08934010      -2.45122929       1.61012800      -0.03151001 
O       6.45756764       0.86253053       0.99764855       1.13851283       0.94605779       3.66302175 
O       9.40921762       1.28398054       8.98115423       0.25760209      -2.25537280       2.41936798 
O       6.64550710       9.10487455       1.29836864      -1.48120192      -0.98156903       4.46726545 
O       8.79871779       8.99439732       6.28822703      -0.65304937      -0.35560074      -1.96157854 
O       0.45040779       6.93708747       9.54695030       1.27362624      -2.31748306      -0.65445039 
O       7.92974103       7.05419902       8.23300985       0.42718260      -0.75431507       1.31567292 
O       8.22558282       6.84308467       1.48634839       1.01651703       1.53226171      -1.29354280 
O       9.00705420       6.39074011       6.17641002       1.91737153      -1.31128704       3.75342297 
O       6.19789253       9.44296578       6.97922230      -0.84874879      -1.33382906      -0.25888482 
O       6.02165344       5.69471248       8.69403036      -1.31604462       0.75728314      -1.20235089 
O       3.56294598       6.36731655       5.93331086       5.35989078       0.10013618       0.13400778 
O       6.03220327       5.62905927       1.36602236       0.71160498      -0.06265189      -2.16961779 
O       9.24699655       6.81275634       4.18854917       6.36581915      -4.42725606      -8.09995095 
O       9.23158873       1.74458702       1.11956397       2.07534463      -2.75395712       1.40826996 
O       8.62643734       9.09292236       3.79991540      -0.85289838       3.84120549      -3.38102764 
O       9.15488185       9.09426026       0.76649938       1.62165101       2.03956594       3.22904936 
O       6.52241893       3.34521857       3.09438143       5.22373866       3.66968057       1.59551295 
O       6.75840087       6.06501679       3.42861283      -0.37024460       1.88712696       2.75451827 
O       5.66147455       8.46417764       4.41441667      -0.14664487       1.72445589      -1.60320519 
O       9.32416091       1.00431133       6.29865461       0.39620545       2.20506765      -1.79039826 
O       1.27164121       6.52462008       6.63037663      -2.43181232       0.53202966       0.37513026 
O       9.45725277       3.88673902       4.08145587      -0.37842884       0.87332444      -3.27314858 
O       3.49809647       7.68932917       8.20338433       0.20548964      -0.86555854       0.13313755 
O       4.18956878       9.94120777       8.70947481       0.71850055       2.14027352       2.23481175 
O       3.94172477       3.52407064       8.97860132       0.07714207       0.38861981      -1.08080643 
O       6.72122315       6.66406147       6.07857523      -5.66333500      -1.30399881       4.12587507 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.05254705011109347 0.014580226578475361 0.02557741575928007 0.014580226578475361 -0.07376597498407338 0.010628812397410313 0.02557741575928007 0.010628812397410313 -0.0460572447394434" pbc="T T T" energy=-918.88759773 free_energy=-918.889769 config_type=crystal 
Hf       0.10697576      10.35588437       0.00698692      -2.96296763       4.34812054      -1.66532617 
Hf       4.74882474       2.31480715       2.44920530       0.33044187       2.89469908      -0.13782593 
Hf      10.20207717       2.71742407       7.56391688      -0.16491441      -1.29950768       2.82598288 
Hf       0.03926133       0.02286729       4.83952127      -2.59094118      -3.90708003      -0.44392003 
Hf       7.70283224       5.04826743       7.97678712       1.26192806       0.60765049      -2.70459148 
Hf       7.81729479       7.96011603       4.95374184      -1.97062101       1.17157548       4.21648190 
Hf       7.90236239       2.27826054      10.11934605       2.13599016      -0.44960323       0.21837398 
Hf       7.26317973       0.00823365       3.26359529       2.65902754      -1.28347708      -3.00642038 
Hf       2.33425450       2.90836053       5.21030451       0.56143161      -3.77527272       0.68578548 
Hf       5.33981599       2.44726298       7.45608885       2.73144132      11.24596548      -0.22516073 
Hf       4.67100760       0.12042127       5.55037479      -2.68398947      -3.08970469       0.45272118 
Hf       2.66869366       2.43347565       9.98888351      -2.76600605       0.81762123      -1.92870818 
Hf       2.60911753      10.29474543       2.20579058      -5.04151766       2.89584880       2.75434689 
Hf      10.15998714       2.42927096       2.55413241       1.21293718       1.76550482      -0.48438762 
Hf       2.29932304      10.10340592       7.75736114       1.91603310       0.72012905       0.55234815 
Hf       7.35931094      10.09267556       7.62300653      -1.58654990       2.81361189       1.89696747 
Hf       2.28389188       5.36801455       7.65071663       0.66744563       2.36079202       6.83915458 
Hf       5.30889570       4.99491535       4.84912401       0.24348355       0.66487753       3.65691153 
Hf      10.35177837       5.07995417       5.12548412       2.06043670       1.22442844      -3.01372030 
Hf       2.38926485       7.47672129       5.00490680      -6.13468384       5.02119673       4.13625065 
Hf       5.26070513       4.84920198       0.17394510      -0.21358893       4.21528871      -2.89086954 
Hf       4.67556804       7.91068249       2.69431094       2.40912713       0.10143346      -4.35014958 
Hf       5.06255254       7.59642835       7.52520732      -2.88030963      -0.35014155       0.62452812 
Hf       7.55489512       7.77717429       0.04951360       3.36522862       1.93217525       0.38637313 
Hf       7.92005916       4.81845825       1.94567150       2.42717407      -0.87547543       4.87419991 
Hf       2.98552824       5.16729324       2.73060447      -5.67923150       5.73363926      -9.40743178 
Hf      10.12952778       7.74919447       2.79388626       1.99670486       2.04755880      -5.73149073 
Hf       0.40968422       5.35827889       0.53797932       1.19893623      -0.80979250      -4.23691707 
Hf       7.71151039       2.74284846       4.92070832       1.43905089      -0.68997970       3.99170751 
Hf      10.07393708       7.99868335       8.09269411       0.96859837       1.17257337       1.52077489 
Hf       5.41547584       9.89518066      10.34206689      -4.51897909       3.76886279      -2.26814976 
Hf       2.48125835       7.76856594      10.13674014      -0.56603283      -2.64488918       0.65836329 
O       0.65941623       9.06529023       1.08389370       3.18568608      -2.37257910       4.71990655 
O       1.56583552       6.78517854       1.39624686       0.16607905       0.36335770      -2.15715641 
O       2.84491265       0.96484768       6.13519957       0.45101520       0.21688776      -0.41597667 
O       0.69498446       0.88022982       3.24491490       3.37051223      -0.03580555       0.54397513 
O       3.83089745       4.06276533       1.21752624       0.82268123      -2.58760538       1.71162800 
O       1.30538968       1.34251852       8.85282334       0.21802024      -0.96559727      -1.55027513 
O       3.44796222       4.07805603       4.01990446       2.74177218      -2.79419973       2.92974924 
O       7.09490866       3.64161518       0.81685855      -3.48977464      -2.03724784      -0.77553697 
O       3.75342161       1.27450685       3.72199339      -1.22739368      -0.30694934      -0.48232628 
O       0.98834231       3.80521716       3.92499811      -0.26915431      -0.58756241       1.94974133 
O       1.50475373       1.05056827       0.81769846       2.33707373       0.88703091       0.40344059 
O       3.91780961       7.02391695       4.24457526       5.68847329      -6.92695426      -2.49864351 
O       4.00197084       1.58986141       0.77752981       0.41912145      -1.68189343       0.67183275 
O       8.79535814       1.36253304       3.96113717      -0.80959940      -1.61855070      -0.43087780 
O       0.90514251       9.35075343       6.73277616      -2.84211229      -0.77727158      -2.73698707 
O       6.34431487       0.78930000       4.69916618      -0.46692367       0.96670823       0.94762108 
O       6.23894557       8.74281845       9.05305064      -2.81552539      -3.01558453      -0.61771860 
O       0.21304473       1.50342326       5.94568809       0.66067094       4.14697936       2.87188867 
O       3.76703353       5.37517008       9.43119685      -0.06184890      -2.62869543      -1.08899610 
O       1.02833660       9.14477673       9.13804393       2.51617152       0.57061241      -0.44969235 
O       1.50174763       4.21294452       1.65996915       1.19873497      -1.31487211       0.93186004 
O       3.40198661       8.82192199       6.33718185       1.00230424       0.90823485      -1.04218332 
O       8.16812495       8.89799473       8.85755678       7.45208959      -0.40687494      -1.06959654 
O       1.21365825       6.21447497       9.27773201       1.04955159       1.34613408      -1.77220967 
O       0.97187616       8.95672968       3.75367029       1.70967349      -0.89473103       1.81039559 
O       3.88032512       5.92008839       6.63462162       1.03635551      -0.42535704      -2.78115268 
O       3.55945163       9.34099569       0.99186691       0.82565901      -1.29598463      -1.35778312 
O       3.57213028       9.18188496       3.74710516       0.10358829       1.85357834      -1.16548616 
O       1.35606503       3.91391503       9.26538828       0.42693387      -1.83381660      -1.14175453 
O       9.60951013       3.55262757       1.01875887      -1.38536902       1.10036524      -0.64604778 
O       5.72090446       0.74927777       7.36550452      -1.20453352      -6.87894830      -1.63902122 
O       5.87266279       3.48752194       9.17334998       1.89935782      -1.81180717      -0.26505678 
O       4.26924504       3.25382300       5.86732053      -0.06216125      -0.37843089       1.20002311 
O       1.24173739       4.04465127       6.44954990       0.61869885      -1.22245300       0.41186088 
O       9.01548933       4.25366463       9.13370925      -0.12593104      -2.24347753      -0.51827436 
O       9.23535562       4.02357182       6.17749380      -1.68166035      -1.18629833       1.60040372 
O       6.58068950       4.31460335       6.49359858      -0.98927542      -0.61600014      -2.75936224 
O       6.98956479       0.49733896       9.88063191       0.18444125       2.03251298      -0.11470447 
O       6.12851910       1.11123968       2.02957704       2.10678219      -1.75106137      -0.38415761 
O       9.10970983       1.45687327       8.77910602       1.44746966       0.04325006      -0.62852543 
O       5.87564440       8.61850752       1.09999197       2.73380497      -1.34526215       2.96249641 
O       8.50043068       9.76498857       6.21339423       2.86219542      -2.60227886      -3.76885764 
O       0.92052532       6.48469393       6.21380481       0.79404954       0.07861895       0.10794409 
O       8.98850286       6.64375830       7.45337842      -3.26082336      -3.11750377      -2.69938333 
O       9.91156759       7.43470630       9.90471391      -3.30402306      -0.63715975       1.40736013 
O       8.93421395       6.74866196       3.97874163       0.40234211      -2.75204061       2.08809766 
O       5.87349684       9.04980727       6.35917028       1.50255730       0.84048301       0.65452105 
O       6.20779858       5.88733808       8.67673256      -0.95212108       3.95641005       1.47467159 
O       3.01431709       7.36387064       8.25549480      -0.06286951      -0.10879844      -0.65300155 
O       7.05460584       6.20248405       1.06248404       0.22664818       2.39128987      -5.38386138 
O       9.43785158       5.95596788       1.66129846       0.74052005       2.78661195       1.63788152 
O       9.51556772       1.17124366       1.24392744      -3.42472972      -1.46587448      -1.78470799 
O       8.97277206       9.37525313       3.59468348       0.01881540      -1.36329080       2.85272603 
O       8.61146921       8.84738751       1.39891815      -1.27255378      -1.27904214      -1.05834644 
O       6.17310113       3.32286705       3.95994946      -1.82385968       1.11970165      -1.80311566 
O       5.79822781       5.51947847       2.38830028      -3.88891600      -1.00101489       5.57398280 
O       6.33562971       8.50932527       3.89467742      -0.37229469       2.18773412      -3.21268876 
O       7.63888323       2.01106118       6.79068407       0.68687017      -0.14682292       0.11486672 
O       1.44676910       6.49274139       3.52428080      -0.87331813      -1.66728060       3.00363163 
O       8.95861883       3.66919591       3.59038082      -1.30327241       3.33614430       0.41991866 
O       4.09494555       6.93078190       0.77055859       0.28859688      -0.43537516       2.66715253 
O       4.06588823       9.35138946       8.76411329      -1.68855804       1.65315487       1.25487759 
O       3.85987731       1.95951975       8.34408888      -5.32815013      -0.52714807       4.32960523 
O       6.20862719       6.81628492       5.65570726       1.22350169      -2.09672611      -0.20390361 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.019051113768442776 -1.55576792698135e-05 0.01563780523616039 -1.55576792698135e-05 -0.03529009658858206 0.0071579722055072955 0.01563780523616039 0.0071579722055072955 -0.02208349070924104" pbc="T T T" energy=-924.28490996 free_energy=-924.2850189 config_type=crystal 
Hf       0.09008164      10.34820019      10.42480607      -0.65584237       1.92337192       2.58104299 
Hf       4.68624157       2.29481755       2.39912725       3.24137482       3.73215276      -0.12828675 
Hf      10.15549086       2.72287456       7.62153404      -0.01863638      -1.52946187       1.23405406 
Hf       0.00951451       0.03414462       4.90689544      -0.67371179      -1.33512422       0.74094598 
Hf       7.70608116       5.04553711       7.92723468      -2.16884849      -0.52436368      -2.68675031 
Hf       7.85188757       7.95757672       4.98872752      -2.51508814       0.42118532       2.57437384 
Hf       7.92623809       2.34706900      10.19040705       1.01721789      -2.78657906      -0.77795730 
Hf       7.32362392      10.44505346       3.26406648       1.45506989      -0.95950833      -1.12025361 
Hf       2.34644438       2.93180189       5.25790563       1.71370428      -3.90921229      -0.79369797 
Hf       5.27271436       2.55363328       7.45166207       1.98550483      -1.47725118       1.83344885 
Hf       4.73743793       0.18009410       5.52337357      -2.62121821      -2.22238676       0.15465180 
Hf       2.68319070       2.39300578      10.01216672      -8.46840040       4.29247116      -1.10715980 
Hf       2.63767937      10.33837012       2.18779647      -4.27682501       2.33037733      -0.50730678 
Hf      10.11864659       2.36309642       2.54807080       2.04791731      -1.30453219      -0.11249687 
Hf       2.37855112      10.08531750       7.70232316      -0.53275481       1.11224717      -1.38463280 
Hf       7.43253195      10.14771741       7.68099483       0.52407274       2.47947170      -0.83748556 
Hf       2.28943154       5.26596921       7.78390573       1.10645139       2.94129624       3.00919708 
Hf       5.39637764       5.03694970       4.84254349      -0.69999493      -0.16023957       1.67489917 
Hf      10.30398834       5.12976825       5.13923043       0.75168219      -0.55408187      -0.28074706 
Hf       2.39881201       7.49595273       5.05511128      -1.44513100       0.71884079       3.06796131 
Hf       5.21007331       4.85208437       0.10386594      -0.06869623       3.82999411      -1.52803862 
Hf       4.67113979       7.96436353       2.61892677      -0.70598001      -1.08756892      -1.17741636 
Hf       5.07613254       7.66479336       7.39126163      -2.50586306      -2.41813797       0.98413202 
Hf       7.51150173       7.78290778       0.10187234       4.75691126       7.00181727      -3.87879761 
Hf       7.87538691       4.81742628       2.01252624      -0.31223569       1.99601653       3.82627352 
Hf       2.95828064       5.15329250       2.72553988      -4.11849042       3.00151020      -6.07061895 
Hf      10.18957436       7.74913670       2.81684073      -0.23304613      -0.40682735      -4.43521455 
Hf       0.36781628       5.36104668       0.51736300       5.13322593      -1.84074406      -4.36299772 
Hf       7.66145642       2.71403920       4.85967080      -1.03629475       0.02780862       6.33295024 
Hf      10.09465409       7.92890080       8.08642674      -0.09870949      -1.99895735       0.81945988 
Hf       5.43938294       9.87757704      10.38139029      -3.20333144       3.04315212      -0.73807824 
Hf       2.50682801       7.77361609      10.16043907       0.88567795      -1.45230950      -0.30989656 
O       0.75824071       9.02897179       1.37080343       0.96205583       2.76825266      -2.35521251 
O       1.75215010       6.84872166       1.36030824      -2.55604984      -1.27828585      -0.07354505 
O       2.83055229       1.00391592       6.04092779       1.22774881      -0.93205277       0.14559191 
O       1.01520800       0.74159506       3.17657491      -1.03511828       1.99689765       2.05113110 
O       3.78209774       3.96763500       1.06894880       2.27183665      -1.10252504       1.52725649 
O       1.35743621       1.28740058       8.59691177      -2.55844582      -2.20039320       1.00257521 
O       3.72167302       4.06521358       4.03460968      -1.21615376      -1.09652655      -0.68996940 
O       7.11128806       3.51735229       0.97232547      -3.92274661      -0.05935394       0.23282560 
O       3.74732788       1.38261610       3.69503267      -1.42918202      -1.26424135       0.05781825 
O       0.99135773       3.78291379       4.02160982      -0.45880316      -0.49032388      -0.30216619 
O       1.42577620       1.28661792       0.92206981      -1.04873739      -1.69287386      -2.10771182 
O       3.91209402       6.75624493       4.03307199       0.54621569      -1.85675721      -0.99812488 
O       3.86842516       1.68062765       0.69984528       5.16081106      -5.72960311       4.53945763 
O       8.86662941       1.27941226       4.13596604       0.13765481      -1.76251554      -1.87981962 
O       0.85485849       9.38534579       6.55317522      -0.95739066      -0.72592400      -0.49256892 
O       6.34609277       1.08504906       4.86242791       0.37543062      -2.47342648      -2.10651920 
O       6.17384758       8.70379794       9.12864486      -0.47255019      -2.57700660      -1.92710032 
O       0.32593348       1.69853354       6.00852862      -0.33699723      -0.09340925      -0.07696283 
O       3.81353026       5.27415231       9.16455523      -1.00586692      -1.67887832      -0.08944156 
O       1.11081109       9.07293171       9.06557732      -0.82292842       0.70479750       1.63158873 
O       1.60319284       4.14757933       1.55787011       0.09862179       0.93869673       1.48154009 
O       3.47014020       8.86741877       5.99470350       2.38787738       2.16993996       0.73447249 
O       8.34810686       8.75470606       8.64833012       2.81612674       0.11650476      -0.59929517 
O       1.26665982       6.34759488       9.28493537      -0.98660984       0.82299508      -1.12894524 
O       0.75715024       8.95885714       3.72567530       3.66926346      -0.61994840       4.10723223 
O       3.75867271       5.89575280       6.43342117       0.09113115      -0.55252015      -1.39500107 
O       3.71022593       9.15889040       0.97548176      -2.36697846       1.05419124      -0.03254384 
O       3.47097048       9.36352324       3.57931847       1.54420484      -1.84740394       0.82014888 
O       1.34235975       3.83112425       9.33469420      -1.00708717       0.73413983      -1.79672305 
O       9.82802189       3.58206606       1.14435704      -2.57355960      -0.35323277      -1.46829576 
O       5.63216961       0.43383435       7.44056204      -3.56760736       3.02346893      -1.35826697 
O       6.03227873       3.40203496       9.05023356       1.05093828       0.48421337       1.86431364 
O       4.43822811       3.06523202       5.83609891      -1.52415793       0.15464099       0.62996961 
O       1.22404752       3.91060447       6.44625326       0.33577154       2.07855163       3.02802763 
O       8.86973944       4.10880761       9.17434867       0.07818129      -0.98433858      -0.04829939 
O       9.00241862       3.93760611       6.20239770       2.73728072       1.18359203       0.65139892 
O       6.65828549       4.18750946       6.28394227      -1.58189428       0.84628125       0.17773708 
O       7.03488009       0.43927803       9.76680937      -0.80483212       1.75721660       0.19301086 
O       6.12871461       0.95835990       2.06874773      -0.48864234      -0.18174067      -0.88113735 
O       9.04251620       1.48023613       8.93969950       4.11411713      -1.59598048      -2.93014132 
O       5.86185393       8.58111869       1.28799988       3.90201492       0.91470812      -1.61580742 
O       8.71875864       9.65775220       6.08940262      -0.61546247      -1.13143588       0.51658448 
O       0.88375954       6.49337868       6.30387745       0.49224830       0.03119469       0.27341655 
O       8.93713025       6.42567262       7.30700474       0.11197430       1.21255331      -0.76185467 
O       9.47407593       7.37242048      10.14690052       1.66085428      -1.37477068      -1.66497685 
O       9.00622716       6.49870776       4.16412367       0.09576399       0.47086559       0.46156142 
O       6.10866043       8.88352761       6.23025025       1.67969482       2.46959125       1.22344675 
O       5.98242623       5.98113648       8.45658661       2.00448160       1.75737559       0.01697049 
O       2.98711649       7.63321778       7.94505213      -0.87559275      -2.60923479       1.04581340 
O       6.96043882       6.31441420       0.83752720      -0.42969969      -7.31858480       0.03950532 
O       9.51302401       5.80062540       1.67684380      -2.52489734       3.81595794       4.02469514 
O       9.03923923       1.07647546       1.14000299       0.50498275       0.82453115       0.68941257 
O       8.93771605       9.28691568       3.71433433      -0.57764619      -1.82653811       0.61396072 
O       8.46565306       8.98803649       1.36130284      -0.05128879      -0.27962684       0.90468245 
O       6.14019770       3.39393852       3.87960631      -0.44292482      -0.01115866      -2.37284646 
O       5.88276623       5.44156807       2.39364464      -1.96389734      -0.49021464       3.72739901 
O       6.28730339       8.52761119       3.81618720       1.33322843       2.31725996      -1.10462210 
O       7.65619077       2.07050972       6.81745902      -0.14767422      -2.30491907       1.77749838 
O       1.37467132       6.37970152       3.77829956      -1.48900304      -1.27243709      -0.65294555 
O       8.85759687       3.61809302       3.68631673       1.60781569       3.30965065      -3.46828335 
O       3.97891683       6.68841904       0.93457336       1.94042366      -0.78894918       0.65436335 
O       3.87978318       9.38709438       8.79585414       1.14579874       2.00505712       2.78059270 
O       3.39114216       2.01834304       8.39274635       6.02134473       0.48756277      -4.01563171 
O       6.22972129       6.70904248       5.55597097       1.33314275      -0.87549711       0.08199123 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011842235683433087 -0.0033356422448178567 0.004912648217316941 -0.0033356422448178567 0.00020491795707021718 -0.009939521088535411 0.004912648217316941 -0.009939521088535411 -0.017395940121809575" pbc="T T T" energy=-933.2569627 free_energy=-933.25704122 config_type=crystal 
Hf      10.30755585       0.10726411      10.24693688       0.71969524      -1.25029424       1.76873283 
Hf       5.03143255       2.54694590       2.04107227       3.16803474      -0.99516466       5.04274867 
Hf       0.00558728       2.50354037       7.81164430       0.81336354       2.24457820      -1.51712195 
Hf       0.08115021      10.38974368       4.97573750      -1.92926153      -0.19196786      -4.07050350 
Hf       7.53551287       5.29324841       8.02126512       3.82418418      -0.46499208      -1.99890400 
Hf       7.88444551       7.46194197       5.15098303      -3.94372822       4.31651704       3.42532498 
Hf       8.02125518       2.58267897       9.98012895      -0.83917277      -2.02983883       4.02676341 
Hf       7.65773527      10.14481178       2.64793049      -1.10142879       1.79476401       0.12779576 
Hf       2.75051223       2.88027762       5.03756051       1.40189474      -3.15795373       1.36185469 
Hf       5.18069731       2.47360871       7.82730822      -0.43114012      -0.65404591      -3.21654932 
Hf       5.21424880      10.01528607       5.08345731      -1.64707055       2.49795218       0.92340468 
Hf       2.56815502       2.62514537      10.45860855      -2.80841461       0.17806566      -2.47794241 
Hf       2.85513299       0.01134672       2.26496020      -1.40519163       0.65911918       1.82962777 
Hf      10.31291894       2.51994457       2.60543845       2.57513010      -2.18549253      -0.24045230 
Hf       2.07538697       0.05268151       7.53544902       3.09624573       1.71466557      -1.33818379 
Hf       7.63062854      10.35906473       7.60414445       1.60177129      -1.45793955      -0.15958122 
Hf       2.01667158       5.42233298       7.97803971      -0.91833280      -5.40320042      -4.71240551 
Hf       4.98418132       5.27719829       5.40130900      -0.51770313      -1.60387282       0.06121010 
Hf       0.02403238       5.27375302       5.41318876      -1.08303123       0.61275199      -4.07276716 
Hf       2.39333840       7.84971039       4.87360246       0.22231212      -1.41624543       1.43942658 
Hf       5.11938830       4.85273401      10.25985185       1.24477190      -0.00144803       0.76232367 
Hf       5.06861069       7.50905861       2.46891629      -0.16859521      -0.30717427       0.93791087 
Hf       4.97769667       7.55141856       7.77573445      -0.32238010       2.17859165      -1.26958371 
Hf       7.59277962       7.45105650       0.29081080       2.81055374       1.37803361      -2.97505893 
Hf       7.73604024       4.78177841       2.79354663       2.26034742       2.92452119      -1.80960956 
Hf       2.60112586       5.06772598       2.79252052      -0.29364435       1.58144425      -0.80592836 
Hf      10.22960977       7.82548250       2.55083639       2.48496657       2.14784996       0.37002547 
Hf      10.10230791       5.09353762       0.10017451      -3.49571850      -4.88774962      -1.02899345 
Hf       7.45624103       2.70048997       5.11202323       1.24549786      -3.17181484       3.42026937 
Hf      10.16858031       8.19054921       7.66246484      -3.35008491      -6.02042070       3.31384122 
Hf       4.89272390      10.05632111       9.87486117       3.12191010       1.46175271      -0.20495915 
Hf       2.41859721       7.73394700      10.39816164      -2.65066998      -0.64695602       0.68599894 
O       1.44566701       8.89937511       1.44464278       1.00926303      -0.16673236      -1.19365159 
O       0.63006126       6.47498193       0.32622088       6.73990282       7.12855609       2.37584776 
O       3.10747402       0.77911869       5.67507988       0.02075487      -0.05528462       0.54744857 
O       1.06088711       1.25943542       3.72996874      -1.09192516      -0.46217036       0.06463160 
O       3.77868262       4.38742968       1.19623025      -0.43525161      -3.87070960      -0.27852805 
O       1.37557110       1.53711627       8.94522722      -0.20126055      -1.91502130       0.03325500 
O       4.20839340       4.01989347       3.73028890      -0.01797675      -0.86476016       1.20095979 
O       6.19828470       3.18737728       0.56351444      -2.08690687       1.93255263       0.41387141 
O       3.30651780       1.82686914       3.12830343       0.08266430      -0.28548428      -0.03710466 
O       1.49146553       4.12538230       4.03952084       0.10148647      -2.87002639       5.12494328 
O       1.16435355       1.41414857       0.95087635       3.12381996      -0.99087570       0.70517192 
O       3.71099582       6.28633160       4.10762011      -0.28015291       3.01754920      -0.41327893 
O       3.93923884       1.35701191       0.98326684      -0.64224212      -2.24380827      -3.95198246 
O       8.83495387       1.10993078       3.98714117      -0.40229509       1.69668761      -0.20622504 
O       0.98689913       8.90820524       6.62345565       4.37570601       3.54444412      -5.51760543 
O       5.77151922       0.59652777       3.40024503      -0.27513044      -0.01700542       0.31959132 
O       6.33030461       8.31638967       9.34525491      -2.37183597       2.56473878       0.29674421 
O       0.58006213       1.04654014       6.42822303      -0.35708720       0.74493657       3.42126935 
O       4.15872646       3.55037377       9.23456480      -1.76284755      -1.27591969      -0.13624011 
O       1.20942069       9.44140381       9.00171613      -1.19288187      -0.43407157       2.20031307 
O       0.82064721       4.35802217       1.95830316      -0.44234000      -1.88011185      -4.35019509 
O       3.69033952       8.60929025       6.31232075       0.39877262      -0.14082429      -0.04202363 
O       9.04677040       8.85034138       9.04985060      -1.25789072       3.10942555       1.32800647 
O       0.90549533       6.79092877       8.57136189      -0.86981653       2.18201450       0.60084789 
O       1.01325878       8.96943020       3.87255879       2.93209336       0.10702332       1.44981048 
O       3.66658742       6.07842619       6.61370115       2.03888323       1.46900800       2.38187279 
O       4.07649541       9.22898453       1.07965290      -0.46283032      -0.47792625      -0.19796161 
O       3.80338317       9.07917208       3.88055538      -0.43495886      -0.35666580      -3.10769552 
O       1.08170574       3.80280973       9.39630223       0.59825788       2.02904818       0.77860158 
O       8.22316471       4.43441036       0.88985202       0.84549581      -1.74994567       0.26189140 
O       5.89274659       1.57304014       5.94586130      -2.07409258      -0.64736884      -0.80840089 
O       6.74748221       3.37075965       8.77696673      -1.93589256       2.52160530      -2.26463365 
O       4.19315492       3.72308606       6.51640317       0.57355019      -1.37299907      -1.54505222 
O       2.01696076       3.20870583       6.97176984      -3.22507793       1.20839574      -0.39297411 
O       9.14373262       3.87488961       8.78095048      -0.06245663      -0.74848654       0.34656535 
O       9.78137435       3.67501585       6.03756562      -1.14046540      -2.74255386       2.28471856 
O       6.55248979       4.11754846       6.35703675       2.21752257       0.92207442      -1.27534017 
O       6.58053010       0.71301197       8.99357656      -2.83454475       1.13093407       1.63530583 
O       7.01489697       1.04588653       1.35795523       0.03228016      -0.43310979      -0.86792432 
O       9.16559390       1.03467022       8.94614584       0.04921723       1.23840157      -0.64286805 
O       6.53308828       8.50408725       1.56830418       0.34365615       3.24769249       1.83251588 
O       8.71948803       8.97627280       6.26865838       0.68566996       0.63065572       0.97217805 
O       1.37919345       6.26646539       6.26639517       0.66917137       1.33706562      -1.25789979 
O       9.25294679       6.32533411       7.00368841      -0.77885031      -0.07162768      -2.20173825 
O       8.66316847       6.32306702       9.41446611      -0.89992993      -1.13094883       0.60261672 
O       9.01835132       6.32041928       4.35021470       2.17586914      -2.22151182      -3.12688942 
O       6.05169468       9.34269864       6.87901398      -0.39143607       0.27021576      -0.16272254 
O       6.02133192       6.07143613       8.88527693      -2.85383990      -1.68519236       1.98628551 
O       3.09531543       5.96421452       9.28244211       6.11950491       3.52556463       5.66533038 
O       6.32123376       6.29062337       1.12149226      -3.18359479      -3.49821525       1.33945512 
O       9.07972208       6.60979747       1.53012736      -1.88658828       0.03916282       1.42058733 
O       9.43052335       1.94627833       0.93527722      -0.78288236       0.13018510      -0.78483062 
O       9.23393421       9.26455035       3.85204242      -1.80555817      -3.73446307      -1.58790454 
O       9.38568437       9.42243120       1.29875526      -1.08967195       0.10927231      -0.46139108 
O       6.72505901       3.25590671       3.37608936      -1.05950593       0.18875995      -1.11970335 
O       6.29491452       6.12249685       3.95403962       1.35227471       0.47541257      -0.90640347 
O       6.67718839       8.84108591       4.09040635      -0.71391667      -1.07215570       0.92874872 
O       7.95412581       1.57182239       6.69401877       3.39758433      -0.40462776       0.92849278 
O       1.13027456       6.41667923       3.62262865      -0.37159442       2.34547443      -0.62273837 
O       9.47204486       3.93186153       3.53884651      -4.43918371       1.96036160       1.02326578 
O       3.38992316       6.61592658       1.57855677       0.72122709       3.36342832      -1.43873492 
O       3.69538821       8.98120227       8.86540287      -0.76751434      -2.08490682       0.45565045 
O       3.72412578       1.11344334       8.40162190       2.03755717      -1.06461667       1.60182583 
O       6.58975941       6.85683914       6.82812910       0.59539775      -0.93311254      -3.31867075 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.030011990541960607 -0.0017205205806982652 0.0020836109431762347 -0.0017205205806982652 -0.02332767276390406 -0.016694421696557066 0.0020836109431762347 -0.016694421696557066 -0.014981856175141613" pbc="T T T" energy=-928.45139534 free_energy=-928.45143636 config_type=crystal 
Hf      10.20434206      10.30456807       0.10066412      -1.56614613      -1.63380337      -2.06629953 
Hf       5.34980441       2.33950309       2.33851393      -2.98142776       0.27100829       1.70447252 
Hf      10.22074469       2.44110059       7.81300229      -0.72173598      -1.98662501       1.25017701 
Hf      10.40095842       0.09302840       4.67647933      -2.47664372       0.97245254       5.08636594 
Hf       7.91455174       4.92025973       7.68419194      -0.36280642      -1.22944978       0.61085652 
Hf       7.51756313       7.46087724       5.39061809       0.42384564       1.46310342       1.89587586 
Hf       7.55598528       2.45269253      10.29341162       2.70444714      -1.25405602      -2.84927709 
Hf       7.72316796      10.29591346       2.34668877      -0.72702402      -0.86190648       1.23948439 
Hf       2.75774971       2.44149087       5.10799720      -3.37421408       4.78478812      -0.03402983 
Hf       4.41329689       2.54627721       7.92700966       4.43331454      -1.59597894      -0.42891890 
Hf       5.16651738      10.42762954       5.25714180       0.70728992      -0.98065384       1.74853170 
Hf       2.23097655       2.55004892       0.04389535       1.47873569      -2.58632083      -3.45693154 
Hf       2.67320919      10.28830736       2.56765631       2.33011707       0.87811182      -4.84506407 
Hf      10.34657709       2.62264876       2.36253993      -0.39343609      -1.30007193       1.08621821 
Hf       2.51440491      10.03736326       7.70583311       0.66311233      -0.70546366       0.45814101 
Hf       7.53306535       0.02425908       7.61197359       1.87812327       0.67314040       1.77573913 
Hf       1.94092905       5.03803431       7.49284573       4.02862407       0.94489129       1.24048076 
Hf       5.20419759       5.08053651       4.95788436      -0.94767734      -2.50880317      -2.58679252 
Hf       9.63990869       4.93531201       4.93184613       2.90232346       1.85477124       0.82293424 
Hf       2.65493092       8.08222498       5.02464857       2.00683433      -3.18911409      -0.56588028 
Hf       4.95860245       5.13180791       0.35765789       0.02255291      -0.00933612      -0.24301613 
Hf       5.37391456       7.74287540       2.45573998      -2.22592129      -0.64349656       0.00011788 
Hf       5.41938810       7.51009329       7.99593252      -2.41431378       3.18469004      -2.37031318 
Hf       7.76848504       7.66756052      10.18430515       3.06678584       1.36132991       0.48360163 
Hf       7.87887864       5.00730576       2.02693579      -0.03867561       2.67163913       1.30781577 
Hf       2.13427494       5.47224137       2.76714773       3.13075691      -3.68659984       1.17369254 
Hf       0.11515081       8.17126178       2.66820603      -3.10941803      -1.63057811      -3.63145558 
Hf       0.34778869       5.24666922      10.44402620      -5.17222694      -1.39915940      -2.81202936 
Hf       7.54408866       2.60596155       4.88036426      -3.11599191      -2.85381661       0.34787892 
Hf      10.38007908       8.21202145       7.46672534      -2.07465033      -1.23434541       0.54411515 
Hf       5.09472103      10.43960601       0.01211620       1.87154955      -4.78531074      -1.99077412 
Hf       2.70002213       7.39059116      10.21052832       2.68045412       6.00429181       3.13728498 
O       1.08045628       9.39999115       1.28320207       0.65809806      -2.13277220       0.76165073 
O       0.92943592       6.50332848       1.31022600       0.38124422       1.30069177      -0.45946782 
O       3.91453662       1.31517694       6.35227777       0.68862279      -2.71906593       0.37497192 
O       0.79459359       1.70928902       4.39916773       4.28411823       2.20836708      -0.12947200 
O       4.12003031       3.47686076       1.00566764       0.23779666      -1.04800449       3.18759096 
O      10.40611365       1.75178420      10.20641678       2.35263036       1.21589214      -2.98312070 
O       3.30520471       3.89533146       3.51380770      -0.01186231      -1.26200115       2.16620444 
O       6.74050346       3.40977901       1.34267342      -1.62802225       2.82975970       1.08802492 
O       3.63909010       1.35671969       3.96958444       2.25998272      -4.27787233      -3.10300555 
O       0.72638045       4.28117860       3.82871776      -0.19370820      -0.44412788      -3.71189765 
O       1.46455703       1.22744967       1.51448185       0.57279619       2.10009878       1.85067548 
O       1.64138254       7.16357615       3.40636430      -2.61430079       2.41830237       2.47196884 
O       4.32390675       0.46410773       1.68411289      -0.26609685       3.76298692       2.64728147 
O       9.74345394       0.48572985       6.81867048       1.01952347      -0.00096337      -1.76797443 
O       1.64359488       9.38162569       5.98704747      -4.22819154       4.31067794       2.73060054 
O       6.57190553       1.11908629       3.50678404      -0.55911665      -2.46466544       0.82907539 
O       6.17284220       8.61009688       9.38653433      -1.34639184       2.17795848       1.44362018 
O       1.72317401       1.48798813       7.70532257      -0.10400604      -0.83523519      -0.59436109 
O       3.75477510       3.48221600       9.41245283      -0.13656437       2.30370981      -1.79817425 
O       1.11475203       9.04977744       8.98885045      -0.21394108       1.95401596      -0.89821833 
O       1.38215936       3.87036350       1.08214762      -1.21549570       2.54452537       2.40711692 
O       4.04462416       8.96079391       6.41408769      -1.35363778       1.62531696      -1.45873558 
O       8.56124924       9.68419306       9.35706015       0.80414491      -0.05326172       0.81503056 
O       1.94025241       5.94183684       9.40516113      -2.75739590      -2.77007145      -1.59735344 
O       1.37962581       9.49112851       3.70308055      -2.68849156      -0.93058359       2.29100510 
O       3.58235011       6.36967856       4.06248379       1.84081684      -0.73650956       3.31501956 
O       3.86331504       8.78830466       1.03645837      -0.59666928      -1.21665566      -0.17747081 
O       3.88123778       9.01375801       3.66110408       1.90426201       1.09735686       0.92258155 
O       1.32886442       3.60864319       8.77573726       1.38429810      -0.72287304       1.00190625 
O       9.15309108       3.57145417       1.06197475       0.49235541       0.10937529       0.61107700 
O       6.80275191       1.39450089       6.39221606      -0.91925687      -2.73938092      -3.99843751 
O       6.85511211       4.05045656       9.16002452      -0.59350027      -0.34439378       0.72572944 
O       3.61002536       3.78827887       6.57783233      -2.62431023       2.40415828      -0.62984350 
O       0.87567043       4.63593976       6.12853909      -2.01035140      -2.25149123      -0.88367496 
O       9.76894364       4.31165659       8.78426847      -4.29183645       0.98593749      -2.25735266 
O       8.87222432       3.14411660       6.13139783       4.10995874       2.35382203       4.21460335 
O       6.05775754       3.64609576       6.33134265       0.19551469       2.05124613       3.46873840 
O       6.00299168       1.07479951       8.55086646      -2.46097262       0.38806443       3.28734982 
O       6.40124148       1.15031105       0.99430951       2.06813010       0.26553289      -1.89837822 
O       8.99796556       0.93058480       1.36309246      -0.06711605       0.12947143      -0.05908932 
O       6.37692117       9.09689586       1.41790876       1.04168975       0.45147372      -0.15247903 
O       8.34804668       8.89553935       6.79424279       4.65974615      -4.33693458      -3.02474980 
O       1.89648099       7.20389027       6.73264114      -0.62192765      -2.64397623       1.26268226 
O       9.70254073       6.59111237       6.14199810      -1.11255778       2.04461734       0.38220317 
O       9.72123870       7.29952225       9.06048782       0.40211186      -0.78837961      -0.84905601 
O       7.73357995       5.27475328       5.51577657      -2.51342651       2.96303645       1.25295466 
O       6.23943612       9.07539054       6.87244278      -1.56954843       1.44000124      -2.23134375 
O       7.19879041       6.77166981       8.35048708       1.51677545      -3.40153132      -1.31616611 
O       4.37171520       6.37530854       9.18589016      -0.18981003      -3.30948874       3.02061133 
O       6.36807252       6.53836283       1.05367527       0.54542447      -0.16619681      -2.24184834 
O       8.61240667       5.86075257       0.38656554       1.34203946      -0.14757017      -0.25620042 
O       9.04720631       1.58734775       3.76560008       0.61040169      -1.57993574      -0.46513299 
O       9.14942990       9.45044336       3.57721989       0.94777018      -1.12104701       0.51036360 
O       9.03471030       8.52965545       1.12172838       0.73494153       1.15633694       1.17619128 
O       5.81688768       3.24252819       4.17389848      -1.32888376       0.34285130      -2.77721713 
O       5.92983818       5.53418086       3.01854314       1.11816999       0.85607602       2.42193105 
O       6.61142256       8.67907113       3.96441340      -0.18837434      -0.76970566       0.77337970 
O       8.37111533       1.63897741       8.54379497       1.85432233       3.36982787       1.42764118 
O       9.10523208       6.39734774       3.09737529       0.33316723       0.39581096       1.50800326 
O       8.51524883       3.92512140       3.77294244      -0.49097581      -0.11044214      -5.27389590 
O       3.87128735       6.29480567       1.74336278      -1.21319051      -1.16619196      -4.12042220 
O       3.41371712       8.46521045       8.82492683       1.55611482       2.36000571      -1.42636125 
O       3.68405949       0.98158921       9.74821784      -3.42448072       1.05590048      -2.21873620 
O       5.64044754       6.70215844       6.00509884       0.94044780       0.60624401       0.48068649 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.05871772677785413 -0.0016899712833457919 0.0040197571019256265 -0.0016899712833457919 -0.0548289039295411 0.006938387201311982 0.0040197571019256265 0.006938387201311982 -0.03952830011236674" pbc="T T T" energy=-924.28353949 free_energy=-924.28361267 config_type=crystal 
Hf      10.35989271      10.04919729      10.36870389       0.79449219       4.44155935       2.22154938 
Hf       5.28308155       2.32960207       2.04021708      -0.11738318      -1.21869581       1.90223979 
Hf      10.14362627       2.33274978       7.62599840       1.59690059       2.39075414      -0.55116918 
Hf       9.98869585       0.24224847       4.80546112       1.26449524      -2.20915609       1.86245173 
Hf       7.60970190       4.65524959       7.64244122       0.93204866       2.60356189      -5.12122578 
Hf       7.71839004       7.76313754       5.54791471      -2.09114632      -1.90583059      -3.47819060 
Hf       7.95212310       2.61076858      10.13366235      -1.68614235       0.34310797       4.28873688 
Hf       7.80146362      10.15330803       2.69490437      -3.51395886       0.71467598      -2.02553161 
Hf       2.23293436       2.77744626       5.31370471       2.06096693      -0.77161873      -2.69449442 
Hf       4.76319473       2.56032557       8.17724907       0.60744824       1.06487261      -4.70004449 
Hf       5.02398480       0.00125479       5.38291570       2.39007309      -1.29030926      -4.73290872 
Hf       2.52817236       2.60846319       0.01993068      -5.93228672       2.34339302      -0.54405510 
Hf       2.92624988      10.25573194       2.37526442      -3.44436721       0.71774025       4.62001063 
Hf      10.43782174       2.71839816       2.51111005      -2.19388598      -0.91060328      -1.89981505 
Hf       2.64621864      10.23876424       7.71886300      -2.67847415       3.75054081      -0.30787039 
Hf       7.63502006      10.30711753       7.55906496       0.15715655      -0.57267644       1.76494736 
Hf       2.15884570       4.97804300       7.70204665      -0.20815183       0.69048075      -0.21968250 
Hf       5.24633681       4.93770543       4.76117601      -1.77180745       1.47621936       1.64131228 
Hf       9.90506965       5.35696936       5.00028796       0.95435471       0.41470091      -0.45345560 
Hf       2.65789065       7.70972496       5.09404376      -4.90928901       5.72519036       0.78467380 
Hf       4.94978614       4.93919665       0.23685157       0.61599296       4.23464440       2.50207142 
Hf       5.24594946       7.90705637       2.36346912       1.42857703      -2.07521271       3.08623200 
Hf       5.47668992       7.80555935       8.04433681       2.70122670      -0.81106706      -0.16690254 
Hf       8.30828297       7.54480507      10.28570473      -2.17240879       1.07481872      -2.02759303 
Hf       7.76783498       5.28204791       1.88440017      -3.34926366      -3.27263927       4.31225570 
Hf       2.28258538       5.18737642       2.80060388      -1.14852397      -0.55292059      -0.80686256 
Hf      10.28482902       7.79969493       2.57609228       5.04909258       5.38580258       1.53333746 
Hf      10.22444303       5.04632982      10.46055087       4.62916687       1.82382116      -1.01268964 
Hf       7.27108495       2.40035243       4.86319655       0.10855727       2.74580025      -2.40347836 
Hf      10.44522605       8.38097617       7.45164082       1.19101703      -8.69327113       4.63840342 
Hf       5.00879698      10.25702001      10.28864406       3.18219986       0.04066143       0.74412239 
Hf       2.50308540       7.63052325       0.04279399       0.89893209      -4.18515650      -2.05251440 
O       1.34233652       9.00657558       0.58063892      -0.26838837      -0.11335412       2.39738023 
O       0.66323577       6.50178733       1.41666077       1.04521714       0.93281593      -1.09220411 
O       4.65343799       1.46986632       6.43703484      -0.86278379       1.55733245       1.80183739 
O       0.47403157       1.68538987       4.09292787       1.24520527       1.23279838       3.67107422 
O       3.78866078       3.98305758       1.51066629       1.68053702      -1.95095043      -0.11627949 
O       1.27801418       1.00603459      10.25125042      -1.24968868       1.50738573      -1.42683763 
O       3.47537571       4.05673858       4.08511056      -3.46716044       0.01093723      -2.46233837 
O       6.42310568       3.70533110       1.14301998      -0.98213866       1.94206391      -1.64704066 
O       3.55097328       0.74487265       4.03459775      -0.59554334       0.85162451      -0.92538654 
O       0.16526329       4.59235840       3.28546672       3.05867313      -0.91488228      -0.05950612 
O       1.72128632       2.00287745       2.29250546       2.77928346       0.29294214      -1.82684280 
O       1.32244896       6.52871634       4.16566419      -1.19998868      -0.53650066      -1.55024277 
O       3.47876382       1.24008970       0.83157329       6.95674369      -4.25530557       2.92613090 
O       9.16364991       0.96889277       6.51966653       3.51638504      -1.25518175      -0.40970444 
O       0.87033727       9.15865334       6.19591012       4.21948317       5.59728020      -6.63017589 
O       6.09912258       0.47408244       3.60393874      -0.96277120       2.63454649      -0.04603134 
O       6.59656599       9.30750176       9.21623210      -2.35279851      -0.41043687      -0.08937788 
O       1.89054895       1.48411292       6.69432690      -2.22308083      -0.97903808       0.66367846 
O       3.88648584       3.91670909       9.49801339      -0.18321794      -0.62828142      -3.04324065 
O       0.95845639       9.60182135       8.51250354       1.48958150       1.51271529       3.11787989 
O       1.43570140       4.28043790       0.81125118      -0.86952914      -2.19599020       1.45216963 
O       3.58719868       9.45907065       6.26862761      -0.51239217      -3.25958531       0.07614225 
O       8.95030615       9.49404722       9.15986899      -0.20237486      -0.95901308      -0.54213636 
O       1.66913440       5.93339606       9.40187600       1.40735773       0.85064333       0.16894707 
O       1.41830082       9.07477763       3.37496424      -0.22315413       0.91797449      -0.65769353 
O       3.65968926       6.33889652       4.69915132       4.41447501      -4.34280415      -1.02974027 
O       3.94607568       9.00596603       1.15542431      -2.28418399      -1.10600297      -1.15235031 
O       3.94238488       8.69400189       3.77146011       0.33654780       0.31348397      -1.36076011 
O       1.38777175       3.40632778       8.61359918       0.02959919      -0.74970214      -0.32022035 
O       9.06987767       3.54973345       1.03059269       1.28596451       0.03950581       0.43855026 
O       7.06340195       0.79968916       5.89948473      -2.25068086      -1.69612165       1.90960911 
O       6.68128800       3.75922334       8.99409872      -2.49302640      -1.15709147       1.23538443 
O       3.55874862       3.89446329       6.27852329      -0.28882615       1.03015268       4.88007877 
O       0.94534298       4.10231385       6.08931397      -1.97346578       0.72636882       0.37177647 
O       9.55806729       3.87851615       8.97816969      -2.84192355      -0.66268249      -2.72125381 
O       8.58331921       3.44505544       6.30250293       2.45375190      -0.48830349       2.15929723 
O       6.16044802       3.72527099       6.25316348       0.68444408       0.66537280       1.33534359 
O       5.77804186       1.17087965       8.99179836       2.58815479       0.14681501       0.85485081 
O       6.95332924       1.43559119       1.28573761       0.00548736      -0.66564553      -1.85589086 
O       9.85412595       0.92493891       1.57975106      -1.66418322      -1.86086402      -1.46896210 
O       6.07788425       9.43776157       1.63870173       1.59279364       1.44319011      -2.57167271 
O       8.77953158       8.71446970       6.85463475      -6.81391904       4.74200111       0.04314496 
O       1.49005458       6.86225027       6.97936527       1.57645827      -1.16888583      -0.27856242 
O       9.77578142       7.35019456       5.49141503       0.33714053      -2.88778618      -1.61605788 
O       9.99369963       6.99166578       9.53685628      -0.53817779       0.23346951      -0.22150781 
O       8.02201115       5.74472009       5.65787115      -0.68133061      -0.77049704       0.88863086 
O       6.20965026       8.87425184       6.47539252       0.83663996       4.76416292       1.25450722 
O       7.32982975       6.95051948       8.76080200      -2.60406052      -1.57847853      -4.33235183 
O       4.48977614       6.91894149       9.42042065      -2.08351427      -2.16500466       0.92483088 
O       6.17626831       6.62538415       0.89676997       1.24696293      -0.04941823      -0.01026034 
O       8.17365498       5.38188928      10.45904468       0.65678592       2.49049406      -0.01642432 
O       8.48409472       1.13017481       3.81371320       1.17699460       1.30631905       1.10220782 
O       8.92260118       9.26349369       3.98948979       2.74339604      -2.29977982       0.61079370 
O       8.80007170       8.75715965       1.36889104       1.64907215       0.29862754      -0.03134210 
O       5.56188751       3.29186188       3.64892770       2.78363206      -1.86031848       1.42500299 
O       6.07501180       5.77513895       3.13371184       0.23187899       0.47667722       0.66607717 
O       6.72388711       8.49486130       3.92990163      -0.72938544      -1.16495261      -1.68516078 
O       8.64337971       1.55053718       8.69638473      -0.00857670      -1.29387280       0.35806452 
O       9.16304036       6.42099706       2.68741580      -5.42975618      -3.99626802       1.79078654 
O       8.44964899       3.54673457       3.49435124      -1.18575687       1.43427440       0.84345876 
O       3.20390864       6.34809924       1.33153111       2.02942211       0.52686072       1.47303076 
O       3.80644003       9.38301643       9.07095486      -0.14837075      -2.18048663      -0.46400855 
O       3.35743597       1.43800627       8.77004533      -0.86999617       0.01721868       0.68209910 
O       5.78110981       6.72476418       6.25811452      -0.42782823      -2.32673377       1.45432533 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.05689640770970861 0.005520548530775316 0.011003204528847411 0.005520548530775316 -0.07274485025365314 -0.010223796526141396 0.011003204528847411 -0.010223796526141396 -0.04974772979785576" pbc="T T T" energy=-924.87457828 free_energy=-924.87486981 config_type=crystal 
Hf      10.42632891      10.08171514      10.35725031      -0.78310555       3.88190178      -0.02566310 
Hf       5.27545127       2.27909941       1.96644492       2.31181036      -0.26480336       2.06652357 
Hf      10.24261716       2.35420402       7.51437052       0.40392014       2.07503021       5.19134328 
Hf       9.88413076       0.27881800       4.97163601       7.44199288      -4.61622041      -3.48398740 
Hf       7.42507677       4.59306403       7.48775853       1.31802847       2.01970819      -0.45324056 
Hf       7.71723164       7.80466910       5.50344404      -1.95823418      -1.92789846      -1.44806841 
Hf       7.99987995       2.67917807      10.16930604      -3.38907418      -1.75454859       2.25138214 
Hf       7.80253556      10.13478704       2.80239392      -1.60880651      -0.59745339      -5.56576413 
Hf       2.12022417       2.86905618       5.36016553       2.35562482      -3.70909629      -0.92179588 
Hf       4.96377935       2.59076882       8.15796060      -2.01871648      -0.39034308      -1.51685322 
Hf       5.03046463       0.00358823       5.29469024      -2.28754123       0.03882609      -1.51464341 
Hf       2.49897533       2.63479185       0.01439092      -0.56150577      -3.39700732       1.51550647 
Hf       2.90366037      10.26574788       2.36212223      -3.28653890       0.06409173       4.70935096 
Hf      10.44464224       2.67800931       2.52796209       1.51511515      -3.04054450      -0.45474902 
Hf       2.63766859      10.39969850       7.66813668       0.24356537       4.18885318      -1.07251283 
Hf       7.68669765      10.32709708       7.65411375      -2.18737710       4.96071292       5.27744498 
Hf       2.23625926       4.99579242       7.82668810      -1.61243211       2.46684514       1.52687336 
Hf       5.21795227       4.97496489       4.79993371       1.41212857      -2.50849505       0.14568759 
Hf      10.05678528       5.50674267       5.02390421      -2.31477142      -5.35047443      -5.82123255 
Hf       2.54990626       7.64339940       5.13846765      -0.73333529       2.88333596      -3.11552844 
Hf       4.91265845       4.96909262       0.18279658       0.58235235       4.29624956      -0.74654143 
Hf       5.21480906       7.86297693       2.36782997      -0.72688246      -0.24752947      -0.52048481 
Hf       5.51717109       7.89407734       8.03479310      -1.91718953      -3.87939006       0.21160607 
Hf       8.44060630       7.59467191      10.18436460      -6.81928719      -3.44282345       2.51838272 
Hf       7.59288701       5.30353418       2.00079289      -2.80358000      -2.28678700      -1.12834069 
Hf       2.30418971       5.07749827       2.79165717       3.15584210       1.36481698      -1.61101849 
Hf      10.25634055       7.74012404       2.58297652       4.74798856      -0.16212981       1.49240516 
Hf      10.16275974       4.99881453      10.36836573       3.01783729      -0.87263762      -0.39624687 
Hf       7.28039914       2.32354182       4.88432163      -3.42924142       3.64084385      -0.67284967 
Hf       0.06428748       8.30812357       7.46778703       1.06006208      -1.51602430      -2.83644996 
Hf       5.10992821      10.11595689      10.13073851       0.07395214       2.45749640       3.25987696 
Hf       2.45157265       7.61833013       0.09430936       0.24459593      -1.97904606       1.87746092 
O       1.18875173       9.06688141       0.73788228       1.90289659      -2.48644328       1.53578897 
O       0.68114710       6.38486721       1.42658953       0.43508735      -0.21745857      -1.29281930 
O       4.66562954       1.51283510       6.55913227      -1.49134268      -2.51540396      -1.36499075 
O       0.53553180       1.82898028       4.53604260      -1.39984004       1.16055124      -3.02747239 
O       4.09684328       3.95152846       1.56183879      -2.47016941      -1.40023914      -0.27827778 
O       1.40685907       0.90880003      10.20092087      -0.14461864       2.11134709      -1.14675961 
O       3.26217534       3.79933694       4.09452292      -0.72331494       2.18147762       0.27549084 
O       6.48147851       3.94264287       0.95007558      -0.61509871      -1.74840796       0.25529203 
O       3.06038114       1.03782138       4.11328097       1.12346217      -1.58408917       0.44330052 
O       0.58515614       4.42224999       3.06583068      -3.00783623      -1.23174596       2.12553748 
O       1.88127799       2.13728910       2.12377859      -0.78576428      -1.00173027      -0.57084822 
O       1.31822595       6.49225032       3.96749224      -0.85213464      -0.45640593       0.88210838 
O       3.94655796       0.91756840       0.98604519       1.54598583       1.85270073      -0.61767911 
O       9.37485636       1.11075384       6.42482172      -4.88350061      -1.74616124       2.38441292 
O       0.87603162       9.16539295       5.57178267      -1.59266580      -0.10016180       3.92451373 
O       5.59162272       0.85727325       3.54704887       2.28850424      -2.01481673       0.65185062 
O       6.57058983       9.39623828       9.03349538      -0.38292132      -2.95716416       0.11579984 
O       1.25230637       1.29302889       6.70610273       3.27095747      -0.48450324       1.23316534 
O       3.76538364       3.94992148       9.28712877       0.87552497       2.47254021       1.82096050 
O       1.21712999       9.47525202       8.54186542      -2.60531243      -2.13292048      -0.53588052 
O       1.30037543       3.92650660       0.63882691      -1.66830241       2.48457874       0.24461006 
O       3.37418357       9.26441628       6.21809596       1.55968118       0.16477073       0.87080239 
O       9.15302535       8.94576885       9.20926642       1.83203259       4.32481384      -4.85203151 
O       1.78318699       6.15530504       9.40756386       0.21539565      -1.13864866      -0.48254241 
O       1.48556960       8.85949554       3.15977896      -0.13625472       0.58003880      -0.43220290 
O       3.93276424       6.27637396       4.63717582      -3.81438472       2.08929441       0.04366936 
O       3.70054177       8.82536662       1.18311359       2.55082319       1.51148552      -0.56517598 
O       3.95420802       8.73318285       3.70657731       0.73725207       1.46847071       0.81168910 
O       1.21931324       3.48502272       8.41876616      -1.06143545       0.45731648       1.51771905 
O       9.24621263       3.69042461       1.23029825      -1.66264054      -0.17474953      -0.69124555 
O       6.92167704       0.67405154       6.18402000      -0.87319345       2.47751301      -3.68606001 
O       6.41511505       3.64279848       9.03485180       0.86813124       2.53050689      -0.28744752 
O       3.26446786       3.68886442       7.03408351       2.67669677      -1.67894244      -4.27035282 
O       0.76565968       4.26279838       5.75148565       2.73874534      -1.84519866       3.15480281 
O       9.07922232       3.71645635       8.96229613       1.93481062       2.31175654       1.09456727 
O       8.94438040       3.47306069       6.76701842      -3.04495144       2.25749325      -3.78186724 
O       6.23983593       3.62350007       6.18966808      -0.21425606      -0.17399144       1.77958457 
O       6.21642042       1.26891591       9.10422732      -1.96780989      -0.62974563       0.97033769 
O       7.15317044       1.59882456       1.45754604      -0.30205097      -0.48086638      -0.35167525 
O       9.77871666       0.70985599       1.33207619      -1.40441060       1.89789387       1.96524986 
O       6.26952791       9.49987260       1.21455039      -0.17248368      -0.86928819       1.39836687 
O       8.62992876       9.03624423       6.79943455       4.27182182      -4.15311144      -2.81766120 
O       1.59239497       6.70480534       6.66705229      -0.48679581       0.49311486       1.58823601 
O       9.66036236       7.15046168       5.47798208      -0.30341867       6.77531746       3.37797737 
O      10.04298989       6.77541043       9.60426793       0.72257196       2.13096116      -3.12681945 
O       7.85108690       5.78545193       5.91673146       2.47845899      -0.07491234      -0.84640398 
O       6.10005648       9.07979241       6.59975682       0.33323112      -1.21616622      -1.42331316 
O       7.00069926       6.81317279       8.55342701       1.58150630      -0.03628790       0.24514500 
O       4.15333177       6.90723724       9.78490962       2.91913090      -0.59920699      -2.63984774 
O       6.24174946       6.71682096       1.02976429       1.41114197      -0.50011271      -0.94087968 
O       8.16725019       5.56696121      10.35247699       0.53272484      -0.08916830       2.79593649 
O       8.44803185       1.13295631       3.90712247       1.13985624      -1.16838385      -1.13702255 
O       9.33967663       9.02217158       3.84542956      -2.99249265       2.05862423       1.46348011 
O       9.03958661       8.69550055       1.42101596      -1.97386178      -0.15391853      -2.30592651 
O       5.48497350       3.13600415       3.69852137       2.34328283       1.25766914       1.53414744 
O       5.95954408       5.79658074       3.18168210       0.86833876       0.88227261       0.76611918 
O       6.74284757       8.77866361       3.81623964      -0.15372621      -1.47008033       1.19849463 
O       8.60117758       1.40443520       8.64237087       2.04836557      -0.93578454       1.72536676 
O       8.87367640       6.11371445       3.05340134       3.36465639       3.05446745       2.46712974 
O       8.17381030       3.67086035       3.84001435       1.14980768       0.89378680      -0.27819403 
O       3.53107599       6.55394250       1.77936128      -0.84678274      -1.42991773      -0.46578314 
O       3.61159351       9.35907521       9.07542549       1.58772428      -0.99465051      -0.51505296 
O       3.31901549       1.75369878       8.87477400       1.09125100      -3.70561592      -1.92326790 
O       5.78388001       6.35555829       6.38140227      -1.77704777       1.36333769       1.31529674 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03202697073084141 0.00336667173267493 0.011396115866977955 0.00336667173267493 -0.02717053288311221 0.005125272197455848 0.011396115866977955 0.005125272197455848 -0.026951239944094933" pbc="T T T" energy=-924.31999937 free_energy=-924.32129851 config_type=crystal 
Hf       0.14590092      10.46410770      10.33798664      -4.16972127       0.14177372      -1.98494931 
Hf       5.13884402       2.17819268       2.31150203       2.34017385      -0.67017145       2.01863853 
Hf      10.02828519       3.23558292       7.80030082      -0.20696371      -2.75649142      -2.21774193 
Hf      10.20849589       0.04960487       5.57122514       1.21333146       2.32068693       1.14192301 
Hf       7.50624833       5.20374388       7.55097511      -0.83778274       1.03587096      -1.86231070 
Hf       8.05310581       8.02412218       4.95877158      -3.02177246      -3.54323167       1.00222974 
Hf       7.72434227       2.63443715      10.43453922      -3.06268281      -1.46984462       2.14915600 
Hf       7.98391366      10.17856140       2.07830871      -6.45291168      -0.23237889       4.55647226 
Hf       2.41764730       2.40819475       5.02384277      -0.33252279      -0.76687511       1.65211532 
Hf       4.85877311       2.28439363       7.79304753       5.76844975       2.27314993      -1.22846664 
Hf       4.94552818      10.18999300       5.06420724       4.19671392      -0.48651720       1.80288181 
Hf       2.53327474       2.60430695       0.06293818      -1.84559240      -3.28477971      -2.39251318 
Hf       2.42561574       0.08226276       2.58100270       0.74987551      -2.92431412       1.09996739 
Hf      10.15242751       2.09203147       2.61300667      -2.48513309       0.46121587      -0.81632937 
Hf       2.69261154      10.38915192       8.08768771       0.70705557      -0.23746305      -3.05552461 
Hf       8.00055418       0.28971342       7.84607862      -4.49806076       0.27871218      -2.02908601 
Hf       2.57943999       4.83444077       7.82664634      -0.00330238       0.60144141       0.24634510 
Hf       4.52125302       5.36827673       5.01923304       8.65344021      -8.68821443       1.41820457 
Hf       9.86527434       4.97565053       4.72141073       1.10106342       2.07823653       1.54041928 
Hf       2.17904170       7.76093943       5.15438528      -1.11796062       1.63060841       4.30453025 
Hf       5.08782433       5.24058637      10.40179017       1.32302927       0.18667786       1.28960495 
Hf       5.24038521       7.72435661       2.34987709       2.21469573       2.68466601      -0.27648504 
Hf       5.03453892       7.55179597       7.34101340       0.50905884       5.02730354       1.51815791 
Hf       8.21421464       7.73417139       9.67370886      -1.73972799       1.30033817       0.29581330 
Hf       7.43214606       5.14266376       2.76629369      -2.97593270      -2.08225070      -2.91173966 
Hf       2.49249874       4.83776640       2.49266672      -2.33038405       2.07707835      -0.26921416 
Hf      10.37887170       8.04166448       2.43846080      -0.14833164      -6.30037320      -1.77412699 
Hf      10.32911382       5.15166878      10.31728157      -1.37563905      -2.77039254       1.27854901 
Hf       7.44091150       2.49432666       4.85350956      -3.02826598      -3.59521011       4.10539690 
Hf       0.68883997       7.65872652       8.17443733      -8.06581615       4.29273331      -4.83177208 
Hf       5.21517611      10.14648752      10.26143099       1.37248346       0.25712872      -0.18427779 
Hf       2.48442364       7.67149466       0.21573350       1.29993787      -2.16674135       0.89047652 
O       0.85516882       9.28334304       1.17064813       4.54960161      -1.48389844       3.44897947 
O       1.40354045       6.50258915       1.59716242      -0.08423850       1.42846395      -1.20184003 
O       4.19467765       0.77456149       6.82417057      -1.58442851      -0.93564867      -0.73620762 
O       1.02117939       0.81340324       4.21187383       3.15376544       0.68034672      -1.87555398 
O       3.62577741       3.33512632       1.50605269       2.72599420       1.20642905       1.70839525 
O       1.47906580       0.96274555       9.45944858       1.04283162       0.99430629      -0.96707241 
O       3.28475575       4.05726283       4.20747279      -1.18201727      -0.75487110      -2.43882528 
O       6.52833150       4.04018241       1.20015717      -0.92303322      -2.68355084      -0.23016071 
O       4.03208094       1.39026491       4.20813352      -2.87890640       1.26241372      -2.13193579 
O       0.97219014       3.32230858       3.35212259       1.56784696       1.53180788       2.38752160 
O       1.19776260       1.24796781       1.53229501      -1.93336808       1.58493938      -1.04614932 
O       0.71049715       6.16540544       3.99764327       3.13972991      -0.24519276       0.64614703 
O       3.55918558       0.69309678       1.08521798       0.86231004       2.32131731       1.57466447 
O       8.98836984       1.73312883       6.53159926       3.15154554      -0.72410622       0.07624948 
O       1.21121293       9.38434617       6.77061482      -2.26171620       0.58138169      -0.83843875 
O       6.55584274       0.71737355       3.88459607      -0.44163976       1.93214887      -2.52951291 
O       7.01632571       9.78566151       9.31859896      -0.33360653      -3.03965291       0.35096444 
O       1.37489561       1.60880419       6.68320342      -0.02112225       0.27657149      -0.44533509 
O       3.53935852       3.56021169       9.08444976       2.21152666       2.73331061      -0.57294724 
O       1.53286824       8.95171700       9.47518912       1.45387574       0.62155045      -1.10855061 
O       1.48639769       4.09332140       0.91262752      -0.33379209       1.01278229       0.05560175 
O       3.52805513       9.07258905       6.25364953       0.08056970      -2.38203424      -2.85702654 
O       9.71594741       9.27243318       8.71742640      -2.06859113      -1.18318924       0.75037948 
O       1.24106734       6.45441323       9.40307438       1.08191994      -4.56801190       4.05529099 
O       1.22554681       8.51252918       3.70935671       1.57796779       4.15713535       0.09553068 
O       3.24982784       6.39677220       4.44558219      -3.75108649       4.81346716      -4.81903186 
O       3.88949100       8.87983294       0.84219387      -0.39336251      -1.46501394       0.05352542 
O       4.01973428       9.46315048       3.37155226      -1.51466706      -1.28828392      -0.10799958 
O       1.26030411       3.44655755       9.05888984      -2.95986712       2.07744220      -1.58178215 
O       9.41666307       3.57196220       1.04814199       0.82114836       0.08550352       1.01306839 
O       6.69596046       1.07887118       6.19743767      -1.05545556       0.10547674       1.10609827 
O       6.22154593       4.54952851       9.06686812      -0.04421326       1.04321793       0.74263808 
O       3.87118928       3.29640683       6.29239844      -2.18016378       1.91615213       1.44863601 
O       0.59637988       4.39971763       6.64132491       3.98629391       1.00713420      -0.57746041 
O       8.68868527       3.67687350       9.27558236       3.42485523       3.83394499      -4.72743450 
O       8.77857528       4.30910263       6.24517348      -0.15140576      -2.15918335       0.72100246 
O       6.49893822       3.67701856       6.96856101      -1.47486272      -2.00308018      -2.49543411 
O       6.60769826       1.63482243       8.88128858      -3.02330039       1.35619119      -0.70492700 
O       6.31535961       1.19795508       1.05465281      -1.93147271      -0.31373449       0.14143187 
O       8.63477147       1.20240750       1.12523958       4.01188420       0.74833071       1.51150051 
O       6.32941781       8.89409491       1.11147967       0.63241382       1.35293082      -0.09889646 
O       8.45456308       9.59928235       5.90503841       2.46908239       1.30042790       2.03570899 
O       2.12939685       7.13589284       7.25181155       2.24190821      -2.80929415      -3.82578371 
O       9.58032806       6.76385418       6.09091446      -0.20584296       1.81761554      -1.83568313 
O       9.23195756       5.90776789       8.49366386       1.76524352       2.08081735       1.41855388 
O       6.94625021       6.07892805       5.56984004      -0.36993605       1.17659908       1.93782115 
O       6.13579960       8.84162126       6.26588735      -0.79347723      -1.14330676      -0.27415212 
O       6.81475759       7.26287265       8.29066082       0.33373945      -1.40160470       0.88970611 
O       3.71449185       6.29332125       9.08110529       0.69062432      -0.25622318       2.33458353 
O       6.45702235       6.37170973       0.94866799      -0.23054747       1.42429195       0.25095713 
O       8.94107517       6.35955272       0.43012000       0.94251554       1.22919308       1.29951007 
O       9.19227392       0.54130600       3.75265632       0.01633530       3.82904062      -0.90313263 
O       9.02278637       8.89079712       3.37381568      -1.55313986      -1.08083067       3.33677839 
O       9.09362035       9.01928030       1.13616776       0.27230096      -1.79105518      -5.01403891 
O       6.11989914       3.37793224       3.62368741      -0.29283030      -0.50442106       0.61857173 
O       5.75719643       5.71645015       3.58694728       0.12446811       3.11899574      -3.17435819 
O       6.40586115       8.71633069       3.71308059       0.80168155      -2.06907306       0.36120828 
O       8.65095996       1.21989485       9.32219567       7.01600552      -0.08082482       0.55842719 
O       8.96632132       6.24029477       3.24719119      -1.13718437       0.86320397       0.26797452 
O       8.61934659       3.51005661       3.55324685       1.98588585       0.71226537       0.21021004 
O       4.08038821       6.33998867       1.61314588      -4.06117766      -2.76780591      -0.90258526 
O       4.18617648       9.02256469       8.58717360       0.46355395       0.77741103       1.94438470 
O       3.97720645       1.34019524       9.23076462      -1.22842820      -3.26667179       1.93760873 
O       4.04974192       6.00470374       6.71030993       0.01207788      -1.13907183       2.21361927 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015464208894540374 -0.015843399960065126 0.009247445829413017 -0.015843399960065126 -0.023995635444239282 0.005673013163468576 0.009247445829413017 0.005673013163468576 -0.014477491175984085" pbc="T T T" energy=-931.33362389 free_energy=-931.33370843 config_type=crystal 
Hf       0.06381284      10.41145644      10.30998715       1.27277941       2.84557823      -0.53371978 
Hf       4.95317572       2.20018238       2.42496181       5.06632216      -1.27707147       0.79208928 
Hf      10.09086543       3.28859025       7.72155428       1.89056280      -3.86362634      -3.35657400 
Hf      10.31987091       0.17249669       5.61029358       4.35665898       1.66553509      -1.72132311 
Hf       7.56884280       5.29258423       7.62848936      -1.67822585      -0.40776826      -1.48688679 
Hf       8.05822807       7.94932036       5.07142913      -2.40542405      -0.41479130       0.42106279 
Hf       7.67732695       2.57678608      10.38074881       2.51766912      -0.52715001       0.14490084 
Hf       7.98367440      10.19041155       2.00484530      -3.57078090      -0.20460907       3.70016007 
Hf       2.50143708       2.34518865       4.93629908      -1.17346983       3.42472650       2.54310213 
Hf       4.91820218       2.23619019       7.65044169       1.72807307       3.35263234      -0.18077822 
Hf       5.12015934      10.20185079       5.13462865       0.24661770      -1.85865950      -3.89548427 
Hf       2.61079736       2.60260996       0.03497637      -3.25948320      -0.62610919      -0.48371553 
Hf       2.41631139       0.16962738       2.49934269      -1.18680021      -1.39161726       2.96184677 
Hf       9.99106707       2.14501231       2.70854109       4.36242060       3.87638867      -1.07286190 
Hf       2.69632798      10.19652130       8.20721579      -1.06371108       3.11565465      -2.96073924 
Hf       7.94293828       0.33861286       7.73097815      -0.28947517      -0.24904171       1.82586513 
Hf       2.58767700       4.87834993       7.79847018       0.00906103       0.34705503       0.66325169 
Hf       4.54358926       5.30503262       4.97460558       1.82813523      -3.18590944      -1.62452146 
Hf       9.94309482       4.95598873       4.80307472       0.78666959       2.25338491      -0.51259508 
Hf       2.10262274       7.69719493       5.20107814      -0.52589392       0.24850966      -3.06973792 
Hf       5.16665114       5.23119400      10.43433293      -1.57055376       0.46198775       2.41457588 
Hf       5.25231343       7.71218599       2.30064387      -0.38678901       1.94870159       0.94587905 
Hf       4.92341634       7.75982959       7.27883517      -0.00109844      -1.46016532       3.38510893 
Hf       8.13818974       7.85598310       9.67891098      -0.24359058      -1.33824928       2.34011780 
Hf       7.44507611       5.10900091       2.67924076      -1.90063596       0.10514456      -1.94908895 
Hf       2.45415142       4.90244072       2.43918967      -2.96734309       0.76040901       3.18725145 
Hf      10.32107954       7.94496610       2.40799642       1.54070383      -1.73567914      -1.03325224 
Hf      10.37671629       5.12416235      10.45137431      -1.63153600      -0.20890125       0.74295177 
Hf       7.44297439       2.39443463       5.05226981      -1.08571764       3.43040296      -0.48834235 
Hf       0.59691324       7.61260993       8.28683531      -3.14594746      -1.38682843      -3.37181871 
Hf       5.16322681      10.23858454      10.26971436       4.32987611      -2.18995824       4.42816049 
Hf       2.57050887       7.59651135       0.12258306       1.75221319      -2.44370144       2.78559884 
O       1.40512911       9.25759546       1.48464774      -2.09751886      -0.00101231      -2.49377556 
O       1.16537777       6.65145127       1.19909673      -1.60759215       0.68926268       2.00897701 
O       4.39822033       0.61269585       6.69674762      -3.11915893       1.01621155       1.39907998 
O       1.29619910       1.10665308       4.24184201      -1.47534907      -4.93796141      -2.13243840 
O       3.71206442       3.39369162       1.63887620       0.10480078       2.64972431      -2.64853886 
O       1.40002024       1.07431200       9.27652861       2.40817009      -1.56472703       0.34523340 
O       3.22438514       4.00456070       4.02800509       2.81877093       0.51203924       1.57912117 
O       6.66499307       3.70220254       1.11376036      -1.45151389       2.00058427       0.97083694 
O       3.80357638       1.41491710       3.81554594       0.93874138      -1.52784931       0.57747575 
O       1.27264743       3.15070089       3.34960642      -2.61276622       1.91239970       0.39945184 
O       1.06820570       1.59271471       1.40301274      -0.07773210      -2.09235438      -0.94212849 
O       1.06609048       5.86787524       4.09848134      -3.16202680       0.28277348      -1.73875360 
O       3.57138645       1.07223205       1.21108524       0.96098195      -1.01324721      -1.05221319 
O       9.39944021       1.75378408       6.41414808      -1.99528146      -1.47630444       0.34136220 
O       0.67347537       9.42034173       6.95077978       1.64601155      -2.08151749       0.32842117 
O       6.70260168       0.65964649       3.45020418      -0.56434315       0.77862407       1.38540597 
O       7.07518155       9.59336225       9.34415533      -0.87832747       2.41764151      -1.32596539 
O       1.59012872       1.43451045       6.63678875       0.54418863      -0.10862890       0.32155824 
O       3.74235225       3.40115779       8.88905753      -0.61733486       0.10580278       2.72624046 
O       1.56337450       8.93879773       9.37960885       0.02769894      -0.21756192       0.58311834 
O       1.57018067       4.21864839       0.85479758       0.33412405      -1.49870484      -1.44403881 
O       3.38225594       8.89219760       6.29888905       1.33038708      -0.14039677       0.61438208 
O       9.54719166       9.11535907       8.98813393       0.84359308      -1.10643410      -4.51619224 
O       1.39080036       6.04914878       9.46837332       0.30718205       3.23420156      -3.67329308 
O       1.10012510       8.68956883       3.75703193      -0.25607282      -0.18199546       2.03217070 
O       3.02241867       6.29946888       4.16330773       5.05578372       3.04301496       1.25121511 
O       3.96194715       8.70347223       1.00059698       0.33556275       1.11033882       0.26333351 
O       3.66842006       9.37663708       3.59315332       1.48442261      -0.32566973       0.75814288 
O       1.02100492       3.66336519       8.99617721       1.80379142       0.42456429      -0.33480868 
O       9.54623839       3.55429127       0.85263662      -1.36725890       0.51421318       0.72611537 
O       6.52598173       0.99418350       5.95869475       1.29962147       0.02497986       2.64692140 
O       6.23295848       4.66248089       9.05970264       2.02713738      -0.12762561      -1.40295107 
O       3.69109623       3.71897662       6.58326869      -0.09774985      -2.17065668      -2.11474804 
O       0.71948594       4.39181868       6.28261872       0.87983781      -0.44071775       2.16097318 
O       8.89562968       4.00911213       8.93505250      -3.75089306      -1.07785835       1.27761390 
O       8.59153005       3.93948605       5.94236130       1.42846588       1.21408771       1.05878499 
O       6.54339958       3.61679699       6.78057958      -2.06818113      -2.62176484       0.04931515 
O       6.48362680       1.64468745       8.89576469       1.40465279      -0.07667155      -1.04179777 
O       6.20997178       1.16126351       1.09556581       0.42633643       0.28794998      -1.82365318 
O       8.82939841       1.41180236       1.32594990      -1.93423046      -2.46741334      -2.86904235 
O       6.44151563       9.01626875       1.33328273       0.87524211       1.15285446      -0.64792041 
O       8.60054113       9.79272096       5.96537428      -1.53045652      -1.04737173       1.98184548 
O       2.07863285       6.88081291       7.01626208      -3.12094575      -0.33267679       2.00933282 
O       9.53033113       6.84023996       5.67180333       1.85459425      -1.10384750       2.48161897 
O       9.28586205       6.09629943       8.73456271       0.85088946       4.43302047      -1.62550083 
O       6.77163559       6.15033234       5.95605067      -0.56080895       1.24425076      -0.42141492 
O       6.05353003       9.00600758       6.45942319       1.33967081       0.59487501      -1.43068907 
O       6.82418648       7.37093438       8.30299806      -1.06144990      -2.26347064      -0.47306060 
O       3.71977665       6.02266186       9.23812979       1.29052020       1.29091015       1.05651390 
O       6.29919718       6.58870389       0.95583974       0.24919435      -1.67416927      -1.81120519 
O       9.06383282       6.62224366       0.68443809      -0.06736938      -0.20219256       1.06891271 
O       9.54400093       0.54614830       3.59668912      -1.86660407      -0.24585849       1.03800104 
O       9.00075638       8.80647346       3.54618939      -0.49352336       0.26524661      -2.12273591 
O       9.14124565       9.15929304       0.55309377      -0.13460026       0.48995097       6.18987070 
O       5.72064804       3.34647032       3.92890012       2.31523960       0.49840989       1.03363948 
O       5.71320762       5.97981973       3.21077520       0.10918538      -2.38378062       2.13843982 
O       6.56761491       8.32437360       3.82113301      -2.45336641       0.35168792       0.16221759 
O       9.33247411       1.40081808       9.09526083      -1.82630959      -1.26610352      -0.65848291 
O       8.68044251       6.32990407       3.57320349      -0.18882224      -1.30625226      -1.41498263 
O       8.48261678       3.48621356       3.37767833       0.83849059       0.04560586       1.22446481 
O       3.56472984       6.22240489       1.57483697       2.94566603       1.46345311      -2.05927604 
O       4.11344445       8.95332042       9.18396867      -0.68775507      -2.08211639      -4.50961309 
O       4.10625888       0.92894569       9.25845327      -2.79810567       2.41559043      -2.68020793 
O       4.16725422       5.96081562       6.77458276       1.15327335       1.53200055      -0.36532991 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.020131750870197196 -0.01752289453954314 0.006431384434292202 -0.01752289453954314 -0.03198590200649119 0.004060277634529318 0.006431384434292202 0.004060277634529318 -0.012572335021305038" pbc="T T T" energy=-931.87017007 free_energy=-931.87018592 config_type=crystal 
Hf       0.03561229      10.40229255      10.30097261       2.63730840       3.77393833      -1.54081389 
Hf       4.91970241       2.19850381       2.46806968       4.95550265       1.70360872      -1.42868497 
Hf      10.11893818       3.28560340       7.67834018       1.07245534      -2.74050738      -0.58740216 
Hf      10.37288221       0.22015233       5.61862729       5.17976827      -1.84966832      -2.39523273 
Hf       7.58373526       5.32418692       7.64512297      -2.12702974       0.73318689      -1.11537495 
Hf       8.04797224       7.91832094       5.10831443      -2.26559094       0.21763746       0.06975748 
Hf       7.67105644       2.55731235      10.36389028       1.89464638       0.05550265       0.73468577 
Hf       7.96253979      10.19216956       2.00152814      -0.54342521       1.05988388       4.29799646 
Hf       2.52090379       2.33580570       4.92018030      -1.99252919       2.68402999       1.66380258 
Hf       4.94998898       2.23534159       7.60387442      -0.24603863       3.16791071       0.47556282 
Hf       5.18069909      10.19810358       5.14177968      -1.30772390      -1.38254536      -2.88672584 
Hf       2.61982948       2.59643166       0.02216710      -2.59711659      -0.54777642      -1.04577557 
Hf       2.40710417       0.18648487       2.48818541      -0.68750530      -0.98276382       2.29558313 
Hf       9.95333579       2.17407727       2.73331888       5.83321213       6.82976531      -3.74672435 
Hf       2.69282840      10.14652478       8.22862252      -0.79260671       4.04195670      -3.62921692 
Hf       7.91938870       0.35472056       7.70254002       0.05708680      -0.89532139       1.98389191 
Hf       2.59101509       4.89367444       7.79090029      -0.32695841       1.07199312       2.05469411 
Hf       4.56327586       5.26758623       4.95408168       2.80983137      -2.30529045      -0.53658438 
Hf       9.97070298       4.96044450       4.82904795       0.56596143       1.97544997      -0.60466005 
Hf       2.07629752       7.68161369       5.21733665      -0.11474162       0.21554073      -4.05504984 
Hf       5.18658601       5.23186258      10.45768229      -1.49974123      -1.96033692       0.48417796 
Hf       5.25527296       7.71527917       2.29129222      -0.02663432       2.27372161       0.82095073 
Hf       4.88960246       7.82578581       7.27434517       1.06585508      -3.01973740       3.50870166 
Hf       8.11284175       7.89279063       9.69002012      -1.20753038      -2.15337231       2.42426164 
Hf       7.43748162       5.09502131       2.63955963      -1.28667852       0.62404552      -0.98798706 
Hf       2.43043637       4.93037322       2.43591009      -2.91740715      -0.55943433       2.97700948 
Hf      10.30805792       7.90463125       2.39534812       1.95453462      -1.10835792      -1.61749517 
Hf      10.38287869       5.11128641       0.03102370      -0.28503029       1.73865099      -0.57855934 
Hf       7.43662130       2.37338103       5.11608579      -1.40342064       3.73741400      -1.85822391 
Hf       0.54662241       7.60029592       8.29480857      -2.10307650      -0.47847591      -2.09384964 
Hf       5.16468287      10.25953389      10.28877248       2.50083580      -1.86604699       2.72365339 
Hf       2.60609448       7.56262566       0.10529384       1.28138772      -2.46213239       2.23406753 
O       1.53705493       9.25014143       1.52680528      -2.77743501      -0.85945395      -3.23725882 
O       1.01346402       6.74355216       1.14779550       0.52103845      -0.49884518       1.01226857 
O       4.30062490       0.61111535       6.73530291      -1.55484573       0.15846812      -0.98168714 
O       1.36097933       0.99884117       4.13005441      -0.41934941      -2.36494689      -0.40216423 
O       3.73228073       3.56575019       1.56136844       2.16627623       0.13104821      -1.24419386 
O       1.53638353       1.08219210       9.19195114       0.72937393      -1.55781536       1.55411870 
O       3.32565975       4.03006452       4.00827473       1.06352162      -1.11213683       0.84819527 
O       6.62846655       3.65994222       1.12209219      -0.59442123       1.77037837       0.61982128 
O       3.74503557       1.37065188       3.68904778       0.78287965      -1.11570250       2.34957368 
O       1.27902480       3.21257842       3.39594384      -2.55389177       0.58290885       0.55728786 
O       0.98344801       1.63335737       1.31041408       0.77501330      -2.57546890      -0.51087376 
O       1.07031610       5.77720508       4.04422205      -1.00767367       1.63823489      -1.76176428 
O       3.66503424       1.18685892       1.18426225      -0.60290977      -1.98704858      -0.39918690 
O       9.45946250       1.65002071       6.38352743      -2.88087010       2.27120640       1.55271841 
O       0.55314537       9.35953688       7.00638722       2.27320346      -1.53774753      -0.57919528 
O       6.71826341       0.70088374       3.33544115      -1.14356673       0.90078058       2.73753293 
O       7.05588073       9.59794760       9.30464668      -1.01439288       2.47219839      -1.27633497 
O       1.69155195       1.38265713       6.64555733      -0.42754346       0.05728935      -1.12984509 
O       3.78337096       3.39925524       8.94514046      -0.09904085      -0.22466110       1.65971741 
O       1.63853824       8.96803004       9.39348975      -2.53069332      -1.61447915       0.99600861 
O       1.60738989       4.18676479       0.74136857      -0.11309352      -0.13720817       0.94943531 
O       3.41125160       8.81333342       6.31646787      -0.02370135      -0.17388412       0.16666027 
O       9.46998668       8.99528339       8.89856095       1.81940924       1.07117862      -2.59284512 
O       1.48547227       5.92368939       9.44918501      -0.47202141       4.61778288      -2.43730133 
O       0.98365691       8.82639409       3.75169867       1.02763564      -1.61393017       3.55197820 
O       3.22850934       6.33671170       4.05042558       0.82937594       3.94540872       1.72179814 
O       3.97995110       8.68951085       1.05105348       0.92118758       1.56628793      -0.11931407 
O       3.61306579       9.31552912       3.70051424       1.65743950       0.15884966       0.43418085 
O       1.02140985       3.78833759       8.96665603       0.07897463      -1.38576974      -1.71964075 
O       9.55140189       3.58585534       0.83259322      -2.20666759      -0.29898673       0.94842885 
O       6.52457602       0.98344246       6.02475845       0.99389350      -0.83508665       2.07144554 
O       6.33907267       4.69636490       8.99221303      -0.20873487      -0.26476535       0.52367726 
O       3.60160059       3.79584583       6.60783380       0.93747194      -3.74489066      -3.21675775 
O       0.86384467       4.39555742       6.24743094      -1.01466742      -1.14467974       1.98149403 
O       8.76475246       4.07879578       8.92044849       0.09247656      -1.46197682      -0.75102588 
O       8.59504596       3.85585620       5.89355888       1.33898192       1.72164049       2.11122192 
O       6.38920221       3.37711808       6.67538213       0.08484789      -0.07693825       0.11590896 
O       6.46541436       1.66209933       8.83055147       2.01131911      -0.22082587       0.08023362 
O       6.16174416       1.15201087       1.02883175       0.92205037       1.04581157      -1.56511788 
O       8.87921292       1.38679767       1.31150696      -2.59691733      -1.91725334      -3.77935249 
O       6.55505192       9.17757320       1.33105144      -2.40981580      -2.66850345      -0.92369721 
O       8.61986205       9.84566978       6.11806682      -1.19396959      -2.17380602      -0.16036631 
O       1.90872205       6.75771952       7.02316621      -1.33638895       0.68922085      -0.15424880 
O       9.57444972       6.84370385       5.61696965       1.91447517      -1.25763524       2.92485722 
O       9.38907176       6.40470862       8.76524155      -0.40107456       0.47202477      -1.27521473 
O       6.66681900       6.25715351       6.07174269       0.67566839       0.29214471      -1.41899359 
O       6.06790431       9.07002033       6.45161289       1.53934883      -0.09448716      -0.74367573 
O       6.76732037       7.28546384       8.28912930       0.40324813      -1.09206536       0.91417620 
O       3.78061447       5.98700446       9.37627484       0.68337373       1.82652046      -0.78924369 
O       6.24958341       6.57327535       0.87424608       1.07758172       0.30485238      -0.29074818 
O       9.12995063       6.69953362       0.82654324      -1.68688548      -0.91636141       0.30826581 
O       9.59026237       0.66755391       3.55388393      -3.14247119      -5.05302944       4.07596528 
O       8.98375854       8.69420923       3.49510083      -2.39776280       2.37164524      -0.52342123 
O       9.16565638       9.19057138       0.57969278       0.21776730       0.20620473       4.49016125 
O       5.69839543       3.34970061       4.09046538       2.31444250      -0.05058299      -0.22471909 
O       5.66706978       6.02161650       3.17696550       1.26385790      -4.02924611       1.53347317 
O       6.51549376       8.18345448       3.87731714      -1.96243668       1.60409625      -0.05695274 
O       9.55208178       1.38485964       8.98122927      -2.97861504      -0.79300421      -0.13132574 
O       8.60612998       6.34691782       3.63209648      -0.57425679      -2.63442504      -1.64840893 
O       8.51416924       3.46864646       3.37963666      -0.27878625       1.01813225       1.13456789 
O       3.46031411       6.19052746       1.47249303       3.42012601       2.37435999      -1.65159244 
O       4.06279777       8.85932850       9.18983121       0.64369461      -1.61782956      -3.59385467 
O       4.01269524       0.83536928       9.19901038      -0.17428869       1.98987946      -1.14436256 
O       4.27237736       5.96893247       6.76934590      -0.46000242       2.19820928       0.42842309 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0018996992469408527 0.008677303600309784 -0.0034419942273570345 0.008677303600309784 0.0018926548612885614 0.02480748860269476 -0.0034419942273570345 0.02480748860269476 0.004054063881394517" pbc="T T T" energy=-932.54765113 free_energy=-932.54781443 config_type=crystal 
Hf      10.13838156      10.43083429       0.03410547      -0.22541917      -1.29473385      -3.09346580 
Hf       5.23399549       2.45249294       2.85242958       0.61307910       1.00332131      -2.36797490 
Hf      10.33583102       2.39889784       7.59246061       0.39930970       1.75106245      -1.28954823 
Hf      10.35094924      10.22048387       5.22172471      -0.55419622       2.46847383       0.05120792 
Hf       7.74885913       5.56711318       7.61851004      -4.03061046      -3.77804214       0.73345968 
Hf       7.92512711       7.39936582       4.88525982      -2.19373421      -0.17742131       2.12367382 
Hf       7.50799576       2.64711957       0.00232569      -1.12032065      -3.27293163       0.07040914 
Hf       7.71501479      10.21532142       2.88936762      -1.27773589       1.98771864      -1.11796824 
Hf       2.26666692       2.68774507       4.68514901      -1.99036255       2.49726078       5.84744768 
Hf       5.26872642       2.59711940       7.81640945       2.22109873      -2.20982826      -2.96074011 
Hf       4.76548703      10.42982933       4.88927455       3.54824248       0.37637858       4.49409066 
Hf       2.86757741       2.06607048      10.03904246       0.42093807       2.83164608       0.59682136 
Hf       2.41721484       0.03936348       2.51620803      -0.27744259       1.96021131      -1.99986917 
Hf       0.00232611       2.63156659       2.32607391      -0.83932426       0.08523486      -0.67332458 
Hf       2.41359353       0.00966407       7.37770507       0.44478183       0.77442808       2.91351564 
Hf       7.56955178      10.08842879       7.76953731      -1.49925931       1.61176437       1.35735097 
Hf       2.61120669       5.07030161       8.02934482      -0.90359123      -0.48757710      -2.21865632 
Hf       4.89045796       4.68542804       5.21362397       0.66580558       2.91547314       1.20445079 
Hf       0.26812384       5.54374624       5.36475307       2.79130433      -3.64111553      -2.11415542 
Hf       2.54220753       8.03957908       4.88157373       2.23415819      -6.55114064       2.14425209 
Hf       5.00384877       5.16748802      10.37277378       0.70313149      -1.51786446       0.46778938 
Hf       5.24184242       7.61352981       2.58202787      -1.32799005       0.05992044       0.56717189 
Hf       4.74181354       7.82611089       7.67825540      -0.19112002       0.43571462       1.57733709 
Hf       7.39153134       7.58381072       0.07953538       0.86595956       1.65831732      -0.49778872 
Hf       7.89219688       4.86808761       2.50605006      -2.17049758       3.37774562       5.24235397 
Hf       2.47294442       5.13047169       2.22112692      -1.20692460       2.46826719       2.03545683 
Hf       0.02633066       7.94843491       2.29646639       1.96093233      -3.82868048       0.65272840 
Hf       9.72916873       5.29518560      10.29623174       6.18089053       0.58781524       0.46282853 
Hf       7.85429145       2.57847533       5.17283499      -1.50714234      -1.48594737       0.58522714 
Hf       0.08152762       7.70912975       7.42830957       1.15874819      -2.62667251       8.33968342 
Hf       5.22431383      10.43813761       0.15763112       1.55404371       0.57954136      -2.93686223 
Hf       2.21764146       7.78193421      10.21084031       0.50822655      -0.06434629      -1.42028148 
O       1.54845786       9.17011927       1.14697830      -1.70586265       1.13417987       2.28866692 
O       1.09369990       6.31678542       1.26570499       0.18524867       4.60265191      -2.00120566 
O       1.43943836       1.42972437       6.20061039      -0.97599298      -1.55750557      -0.05437756 
O       0.84573563       1.37241208       3.71969826       2.47792059      -0.94645692      -0.85889762 
O       2.99299169       3.88736092       0.94902509       1.30439246      -0.44309871      -2.43197761 
O       0.25368823       0.77661339       8.50966605       0.89493776      -1.77655020       3.29461458 
O       3.68506330       3.83192502       3.62312475       2.56021023       0.50420186      -0.24124049 
O       6.10039946       3.61176704       1.43163518      -0.86317301       0.22152462       0.92841525 
O       3.64925299       1.46432761       4.29818973       3.16896132      -4.39406038      -2.00864590 
O       1.39311119       4.04222855       3.72206875      -3.14123650       0.72006018      -2.21732649 
O       1.30069130       1.48720003       1.06050938      -0.09117106      -1.53058073      -0.47400530 
O       1.37721418       6.67974549       3.90568138      -1.13155433       1.08243842      -0.32720586 
O       3.71259506       1.63035807       1.70491342       0.54396514      -3.29962851      -0.33964432 
O       1.61437713       4.25119126       6.22076253      -1.86355016      -0.75910761       0.49122038 
O       0.94374594       8.93725972       6.41109593       2.63398789       4.41810806      -3.39074983 
O       6.52227607       1.21728416       3.82661049      -2.11791669      -0.68484125       2.37973316 
O       5.67185776       9.72312984       8.61273478       0.04063810      -1.58466012       1.46773069 
O       9.30768491       1.05247542       6.57522834      -1.06089479      -1.20203720      -0.68050805 
O       4.11995641       3.69220669       8.87695138      -3.96847523       3.63817348       1.65322838 
O       2.54789424       8.16523157       8.17751648       1.25392333       0.86718014       3.23035413 
O       0.23292151       4.39161490       1.56807392      -1.02346254      -2.44286628      -1.38861619 
O       3.54232548       9.11757236       6.43285694       2.22307674       0.04149828      -4.37992748 
O       0.35527014       8.62897497       9.33141284      -0.04412129       0.40198630       0.92671104 
O       0.83755818       6.06089353       8.88832647       1.01679374      -1.57150679      -0.13920403 
O       1.58874875       9.39375350       3.99729171      -3.13588643       3.00099100      -1.80942750 
O       4.00128289       6.60410668       4.11563963       1.09174554       0.36502367       0.91146520 
O       4.03463135       9.00292947       0.41566021      -3.31621770      -1.21125835       0.38598022 
O       3.92494902       9.22390256       3.52999190      -0.22581243       0.89355371      -0.72656427 
O       1.80823386       2.91888775       8.48146069      -1.15355220       0.85013465       1.37405495 
O       8.13655879       4.72593558       0.69105650      -0.30214321      -2.37098927      -3.63041140 
O       6.53365691       1.09236535       6.77505071       0.96293761      -0.38787425      -2.14748008 
O       6.33916174       3.76708995       9.49197104      -0.14858919       3.77405035      -2.58054587 
O       4.08972825       1.01820092       6.96694315      -0.58049608      -0.82020309      -1.48405011 
O       3.84831907       3.40901874       6.25864296       1.24288966       0.01460686      -0.51398092 
O       8.76015257       3.84252770       8.32697434       2.11189104       0.94201003       1.51059489 
O       9.31298720       6.15229967       6.77371187       3.12898416       1.02396121      -2.52556279 
O       9.40689528       3.52423256       5.52768261       1.73010998       0.63783710       1.61564731 
O       7.81498971       1.25504338       9.05380065      -0.42018540       1.35570098      -0.39809544 
O       6.74951506       1.01589071       1.53140476      -0.60148933       0.12154945      -1.18135203 
O       9.22691128       1.57937428       0.61594016       1.33736367       1.68255483       2.07575599 
O       6.25962971       9.02917535       1.18110334       2.66340251      -2.16131819       2.12732444 
O       8.91759467       8.65107593       6.83502360      -1.28821100       1.54885253      -1.20587666 
O       2.01616921       6.61406506       6.45488661      -3.40830664       0.57189059      -1.13693871 
O       7.02916816       5.79688039       5.61293002       0.27470592       0.73677223       2.29598413 
O       8.84275998       6.60528088       9.29612761      -2.66582943       1.65082236      -1.69171176 
O       6.58119659       3.76941459       6.62508000      -0.33309035      -0.57567815       0.63297167 
O       6.23227504       8.25942737       6.56255315       1.37615918       0.30891521      -1.15344006 
O       6.22849632       6.63843948       9.04834996      -0.02177200      -0.22563164      -0.14432953 
O       3.46991162       6.23906488       9.68058358       0.10860079      -0.94945945      -1.98408337 
O       6.04077278       6.36316932       1.22965856       2.69777110      -0.51601705      -1.80722586 
O       8.98378313       6.93618455       1.44319614      -1.03494579      -0.96597272      -1.00942424 
O       9.03169499       0.86840113       4.23883329      -2.58690697      -1.83166027      -2.43583202 
O       9.62889563       8.29125687       4.12193693      -0.46069427       1.66985146       0.74561586 
O       9.27100653       9.36323720       1.73607789      -0.10753003       2.75592134      -0.38126699 
O       6.28206998       3.77922425       4.00920507       1.07786508       0.31379329       0.57297729 
O       6.84370605       6.74653837       3.45924195       0.41010205      -1.35895040      -2.00742804 
O       6.46141020       9.04551142       3.98258681       0.93357461       1.22526263       0.27092559 
O       8.11880686       9.48387031       9.71714495       1.09597259      -2.32481524       0.57283660 
O       9.38066510       5.49036255       3.96251745      -2.29537644       2.04528689      -1.17402871 
O       8.60186773       3.17765523       2.96519137       0.44095657      -2.34004886       0.31775218 
O       3.79225456       6.71233933       1.54636389      -2.21911461      -1.72263249       0.62035695 
O       3.20199762       0.36574220       9.20241901      -1.94067579      -0.47005555       0.80040264 
O       5.15813720       1.73400883       9.65282042      -0.55074146      -0.74914337       1.62362425 
O       4.28533305       5.96398583       6.97675071       0.82681744      -0.29887607       0.26496286 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-8.662496893176486e-06 0.005871755621613425 -0.0017788818242628548 0.005871755621613425 0.011856516530939509 0.009117377017214306 -0.0017788818242628548 0.009117377017214306 -0.011274597216991172" pbc="T T T" energy=-927.94278113 free_energy=-927.94401386 config_type=crystal 
Hf      10.09987819      10.44731175       0.13304152       0.93106396       2.39569838      -2.51404943 
Hf       5.15996366       2.46911902       2.80950486       0.67221681      -0.14874977      -0.17793691 
Hf      10.20117656       2.44344167       7.45224273       2.56760756       0.61270490       3.17756219 
Hf      10.25021050      10.32844628       5.16411780       2.58038012      -2.77922881      -2.64463494 
Hf       7.73832511       5.42755006       7.67835253      -2.12252823      -1.12187513      -0.94180505 
Hf       7.99690619       7.36004064       4.92487910      -4.33614785      -0.60795660       0.03137758 
Hf       7.36192278       2.55784739       0.06455154       2.81127110       1.92060167      -1.60407099 
Hf       7.61228977      10.33178898       3.02953296      -2.75120796      -2.09105648      -5.66909476 
Hf       2.13550314       2.67325169       4.74903427       0.67432536       1.29982713       3.45277799 
Hf       5.35344267       2.72274907       7.82275134      -1.61710236      -3.46971529       1.44242063 
Hf       4.86636383      10.33260995       4.99550083       6.63267899       1.26699249       0.75381899 
Hf       2.78073234       2.18252276      10.01727506      -0.78508074      -0.61249366       2.59347176 
Hf       2.40324958       0.14510151       2.41447018       1.22482437      -0.43881413       0.20213634 
Hf       0.05015047       2.63376669       2.36692715      -1.54886389      -1.20853950      -3.61434327 
Hf       2.46364280       0.09179559       7.39475776       0.33801462       1.88329435       3.84763009 
Hf       7.62431031      10.07443423       7.73030403      -3.50495761       0.62453609       1.72389570 
Hf       2.77555785       5.03222641       8.09566965      -3.70877461       0.15532289      -5.88737123 
Hf       4.94373082       4.59352946       5.18175575       2.74311320       5.78215754       1.71066237 
Hf       0.29244646       5.62385819       5.20199445      -0.96268294      -7.23038321      -1.51484971 
Hf       2.45777816       7.97272079       4.82046577       0.98628675       1.10064206      -1.07289753 
Hf       5.03196381       5.15796922      10.29723555      -0.09004617      -0.25893881       1.72492681 
Hf       5.22539625       7.58585487       2.66779314      -0.57309164      -1.72436131      -0.69685951 
Hf       4.68923250       7.80315809       7.57422996       8.21915349       1.08694347      -0.67255192 
Hf       7.38821617       7.51790715       0.11215831       0.58201865       0.27727358      -0.81229958 
Hf       7.96454376       4.87197099       2.56781372      -1.22054628       0.26503117      -0.89396304 
Hf       2.51279511       5.14290941       2.27444331      -0.05087259       1.57624974      -2.15541562 
Hf       0.16767805       7.80251055       2.36755408      -1.46997137       1.36331634      -1.16239814 
Hf       9.97466685       5.29988608      10.26661543       0.01438450       0.57211471       1.48385614 
Hf       7.84606281       2.50404390       5.21087293       0.29964418       1.18291689      -2.11125984 
Hf       0.02871182       7.66518302       7.60029781       0.29283843       1.24247273       0.78629906 
Hf       5.19361218      10.39886591       0.07185004      -0.94830343      -4.65031681      -1.39591750 
Hf       2.19321304       7.79923829      10.07504451       2.21115895       1.00471605       4.79015872 
O       1.68418720       9.26097615       1.26815983      -6.49841993      -2.91532314       0.17048324 
O       1.15002951       6.61644256       1.01063595      -0.80411779      -0.49430308      -0.09492466 
O       1.26219410       1.42853352       6.34538714       1.25656975      -0.16581933      -2.46580812 
O       1.05955109       1.21796781       3.45648108      -1.01733673       3.85739588       1.88679392 
O       3.29998815       4.10542116       0.73491877      -0.96063227       0.68142677       2.26650677 
O       0.43503357       0.85376341       8.81766120      -1.30875650      -0.41149442      -0.71920850 
O       3.85557738       3.98558181       3.68140264      -1.74623582      -1.89184544      -2.45351718 
O       5.86355490       3.70570035       1.59027137       0.89796616       0.80403811      -2.09649221 
O       3.70019565       1.16893837       4.31192484      -1.89800602       3.07849958      -0.32781971 
O       1.03227063       3.97228828       3.53665447       2.90521283       0.30175595       2.09500524 
O       1.29070256       1.23293176       0.85842182      -0.45012697       0.90894478       1.14998138 
O       1.22390215       6.73222406       3.78896472       0.77865000       0.63012668      -3.13969651 
O       3.49330734       1.79768686       1.91237088       1.33320766      -0.86968721      -1.55302963 
O       1.33230445       4.02567804       6.24136347      -2.10019472       0.09922135      -0.35722549 
O       1.12159368       9.35202507       6.56672142      -2.41993755      -3.36160027      -0.76358964 
O       6.44267057       1.29026393       3.96709955      -2.15013808      -0.51642851       0.07515567 
O       5.68896612       9.51768294       8.72744873      -0.50098614       0.80174576       1.03803923 
O       9.38621742       0.93603727       6.40124933      -3.90203042       2.25051573       2.50453083 
O       4.00624052       3.91874560       8.84683740       3.66549305      -4.93819909       1.04715158 
O       3.03287555       8.08905532       8.32914932      -3.68336885       2.30762996      -0.79143813 
O       0.23385656       4.38737567       1.47013133       1.09193132       0.61302433      -1.76489505 
O       3.62802031       9.32651308       5.87124159      -3.49051620      -3.23151632       4.90584313 
O       0.43178852       8.70361562       9.29407226      -0.29726974      -1.30093721       0.36604236 
O       1.14042374       5.68594599       8.97492653      -3.79567315       2.12964944      -0.44011262 
O       1.27233564       9.65155893       3.97842911       2.24031163      -4.33310158      -0.18268083 
O       4.14475817       6.37229762       4.16092300      -0.68643342       1.69382649       0.27239436 
O       3.58684764       9.19961376       0.45811301       4.64266064       0.51675303      -0.47358085 
O       3.81312783       9.29544522       3.47617030       1.56007444      -1.80542198      -0.98219674 
O       1.74113348       2.98873278       8.69961994      -1.80674627       1.49874788      -1.22138452 
O       8.25580774       4.50477127       0.46347536      -0.06513499      -1.00803624       1.16300430 
O       6.30961555       0.81124699       6.52499163       2.39785837       1.00524882       0.10097031 
O       6.43853004       4.14805691       9.34753277       0.61135666      -1.27445599      -2.10148277 
O       4.04041078       1.27007724       7.05298002      -0.99114044       0.10652473       0.51529709 
O       3.47345579       3.78673563       6.12182010       2.46105803      -1.80213765       0.85882084 
O       8.98841045       3.96489715       8.24893365       1.34037728      -0.18482981       0.42410674 
O       9.54689305       6.07480614       6.60987010      -1.23022543       2.51474687       1.64540945 
O       9.50336088       3.85664629       5.43639233      -3.08906049      -4.00681156       0.58058078 
O       8.22011371       1.30549340       8.78589890      -1.13490434       0.45348455       0.02802559 
O       6.59509319       1.46330611       1.43868029      -0.52248267      -4.84459699       2.08904111 
O       9.47443880       2.13796385       0.61925167      -1.51846836      -2.59313943      -0.66127881 
O       6.21679741       8.79583540       1.24031263      -0.70957174       0.69959721       1.05751252 
O       8.79677066       8.57682263       7.05729199       1.69321673       0.21637406      -0.96953935 
O       1.78449087       6.53645139       6.07037601       0.59643763       2.62568332       2.99761508 
O       6.90962877       5.94752365       5.78442551       0.55557387      -0.37936155       2.30820469 
O       8.50367384       6.59635698       9.04590746       4.16526587       0.35702964       1.21966355 
O       6.49910484       3.70914530       6.69396644       1.24842506      -0.31023729      -1.52534208 
O       6.24947174       8.53690287       6.32631448      -0.70147250       0.48553997       0.98182633 
O       6.23723414       6.83943354       8.89061469      -1.87997986      -0.50470279       1.04996784 
O       3.33939768       6.03245603       9.67232491       1.35184781       2.42575282       0.50510688 
O       6.07995834       5.97143201       1.30243769       0.03999132       3.28632104      -1.74668914 
O       9.11337771       6.69558744       1.35729073      -0.73618586       0.62352267      -1.08966702 
O       8.70433486       0.81925834       4.06733665       4.80034063       0.22365190       3.95653778 
O       9.60905977       8.32678145       4.21419073       0.48603306       2.21239030       1.06086337 
O       9.08097980       9.44809307       1.77923045       1.54025133       0.71947373       0.31692544 
O       6.65176494       3.83615064       4.12259955      -0.91680504      -0.74554075       0.16593795 
O       6.93769169       6.40741695       3.29605066      -1.64516520       2.83875248       1.29857769 
O       6.70078904       8.86956434       4.01417233      -0.47428583       0.81468127      -1.25580435 
O       7.95952291       9.32403280       9.91855211       1.46497303       0.23404222      -1.38707230 
O       9.06501822       5.93598665       3.91720498       2.44875056      -1.09704548       0.04124980 
O       8.68174524       2.78740841       2.92681746      -1.17177220       2.64484281       1.19987298 
O       3.42795220       7.18092251       1.58341873       1.17173469      -3.23396799       2.13844624 
O       2.83555953       0.25365453       9.59643649       1.43862264       2.39069930      -3.83539030 
O       5.54297550       1.71759646       9.74766941      -1.16955814       1.49478291      -2.09363141 
O       4.45082513       5.97073841       7.09520957      -0.82526258      -1.47694409      -1.14988601 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025936497949427574 0.007250154002496852 -0.005692797985933513 0.007250154002496852 -0.019264334393163555 -0.009373585237126437 -0.005692797985933513 -0.009373585237126437 -0.016131880333576768" pbc="T T T" energy=-934.08218756 free_energy=-934.08224125 config_type=crystal 
Hf       0.02882967      10.31351133      10.37736269       2.43597525       1.12835483       1.71935710 
Hf       5.19582421       2.20995582       2.30311211       3.20075691       5.07856483       3.26075619 
Hf      10.35304447       2.49315717       7.56938767       1.60304081      -0.65901786      -0.74254537 
Hf      10.10771381      10.11514073       4.98941934       5.42922182      -1.85534743       3.05977398 
Hf       7.11377211       5.18313457       7.83979691       4.61522104       2.51630651      -2.96337766 
Hf       7.60751572       7.51460381       5.00370800       0.19594172       0.87949399      -0.05351440 
Hf       8.12894672       2.36299113       0.13316397      -5.08928062       0.54021342       4.05035807 
Hf       7.93935423      10.00686601       2.26907342       1.17140657       5.30358177       4.50709636 
Hf       2.44039454       2.62281119       4.94186103       0.52428218      -1.43715775       0.72920030 
Hf       5.26945340       2.22802979       7.77313214      -2.47924042       2.44900241      -4.48925826 
Hf       5.11925014      10.24139942       5.00765648       0.00150043       2.41774085       1.70810052 
Hf       2.35161196       2.48377725      10.22967864       1.61112035       0.47206129       1.94843611 
Hf       2.43486807      10.42455175       2.70829974      -2.56853086      -0.29993691      -1.39318252 
Hf       0.08803843       2.80950758       2.41285556       0.24369883      -2.16896654       0.22634687 
Hf       2.49773121      10.46444900       7.54156160       0.35823032       0.56383929       0.68116119 
Hf       7.58099102      10.40983187       7.77832661      -1.00888382      -1.15857277      -0.71861930 
Hf       2.06811850       5.14838407       8.13033841       1.57566228       0.02041421      -4.72371710 
Hf       5.18399447       4.81198072       5.31307883      -0.34512184       0.01325559      -7.25084633 
Hf      10.20559727       5.36780230       4.88228616       0.07244501      -2.19891020       1.72768909 
Hf       2.67661353       7.84349587       5.05158354      -2.97551416       1.67794491       1.18391837 
Hf       4.83224140       5.21805295      10.11016091       3.66425128       2.39683370       4.56264821 
Hf       5.09739452       7.88796613       2.30724553       0.33239310      -1.20040642       0.63259665 
Hf       4.90279887       7.77455889       7.82539040      -0.90829752       0.47961574       0.78929933 
Hf       7.69481063       8.02303213      10.07878220       1.67388592       0.02989315       0.85290287 
Hf       7.39380806       5.13095387       2.40095518      -0.04943156      -2.51821129      -0.11783972 
Hf       2.83019539       4.98520899       2.56453414      -0.72250771      -0.92210834      -0.71154479 
Hf      10.17579602       7.36557935       2.35756189       0.89651386      -0.06458366      -2.93059114 
Hf       9.72850622       5.04831997      10.12235634       2.03093984       5.46590782      -0.53729874 
Hf       7.94586452       2.27960388       5.35437217       2.12746884      -2.31861079      -5.14430092 
Hf       0.00225902       7.86912048       7.77906019       1.70654067       0.41058387       0.17032166 
Hf       5.06315487       0.28273204      10.37176149       1.44143787      -0.43707257      -1.49088445 
Hf       2.58788517       8.19392592       0.20503286      -4.39362589      -3.90983539      -0.72192836 
O       1.34774252       9.24971295       1.48881119      -0.64568078      -0.30558918      -1.10159952 
O       0.80993599       6.80978907       0.63722067      -1.60348983       0.11364068       1.77181898 
O       1.09269117       1.46966014       6.30948608       0.75670596      -1.28436654      -0.47175393 
O       0.77229504       1.15033575       3.48058191       1.32995269       0.99321231       2.23421668 
O       4.13872168       3.95340108       1.12588744       1.58412873       0.66886190      -0.29003746 
O       1.53494526       1.19986757       8.96841634      -1.20702739      -0.27354041      -1.38365119 
O       3.82956897       3.41427801       3.47869014      -1.30933767      -0.66948858       2.02783860 
O       6.81543967       3.28455720       1.52755204       0.24737102       1.80185572      -1.34491370 
O       3.62041139       0.75591836       4.11377979      -0.41172167       2.50229080       0.07776795 
O       1.37456414       4.05453209       3.82163957      -1.62556560      -2.91134180       0.09080731 
O       1.16372547       1.30195614       1.17608679       1.06784069       0.75970563      -2.11657956 
O       0.88617692       6.16471813       3.38924558       0.98044356       2.13755256      -0.03227030 
O       3.87170904       1.20957120       1.16654842      -1.63515826       0.72565427       1.62800870 
O       1.92262231       3.75824664       6.34764543      -0.68926754       2.33636074       3.08471236 
O       1.17874353       9.24107142       6.72997833       1.44738222       0.52988988      -1.52100418 
O       6.29150484       1.79948234       4.10924656      -1.48560048      -1.18982749      -1.56714054 
O       6.38699949       9.29776296       9.01879142       3.00970201      -0.86707988       3.08038664 
O       9.23243283       0.90813407       6.86796838      -1.51777560       1.85342673       0.77736200 
O       3.47397250       4.40562810       9.27398459      -4.16746618      -1.98913343      -2.27796996 
O       4.30710285       9.94720741       8.82368931      -3.61894590      -1.82177549      -2.57542728 
O       1.78796554       3.74034587       1.15102736      -2.26599481       1.36348286       3.46940718 
O       3.95243975       8.82892293       6.27753832      -0.40353942       1.48399090      -0.82134943 
O       1.75142950       9.00798109       8.99824177      -1.44668067       1.64576379       1.59355703 
O       1.30433960       6.65651094       8.82625855      -1.69887062       0.26476756       0.31550725 
O       1.13181979       9.06085989       4.04788941       1.35646622      -0.84275879      -0.34977920 
O       3.47531950       6.28150459       4.53087439       1.42121726      -3.31752499      -1.46894603 
O       3.82590308       9.26849538       1.17048392       3.73940073       1.59208736       0.03684043 
O       3.77817281       9.02238384       3.49608214      -0.46626789      -2.84130048       2.69802387 
O       0.81490848       3.99092324       9.42047957       0.38243761      -1.70002877      -2.66998363 
O       9.35281046       3.89824870       1.09766533      -0.37950444      -1.85174424       1.39231667 
O       6.42495297       1.16963710       6.49434817       1.92406943      -3.26048639       0.32559449 
O       5.98168878       4.02524379       8.63414266      -2.27525720      -0.43403654       3.05699815 
O       3.91067219       1.28769887       6.56677448      -1.86773426      -2.17884665      -0.09039862 
O       4.53094682       3.65852311       6.52390618      -2.72829202      -1.87375474       1.66774682 
O       8.59734340       3.72467180       9.08550528      -0.65816334       1.98660085      -1.65579820 
O       8.41672619       6.07636623       6.04506748      -0.35832009       0.31028593       0.08899070 
O       9.73155523       3.72312154       6.12403559      -0.03302328      -1.59848827       1.88509351 
O       9.49455431       1.49898769       9.77624319       3.47317400      -2.24645188      -4.07265811 
O       6.68245582       1.06350313       1.14568625      -1.49897613      -2.58413051      -0.44525251 
O       9.16383725       1.15049076       1.73071637      -0.40148668       2.36821708      -0.47298886 
O       6.72744143       8.86939426       1.39706134      -2.21441274      -3.12974452      -3.66026243 
O       9.36344244       8.80362173       6.37924163      -3.37345495      -0.33772986      -1.15873996 
O       0.64129725       6.57736146       6.29765781       0.18352994      -0.60163498      -0.96365471 
O       5.73800906       5.99991776       6.59811625       2.69399359       4.40395923       4.31806611 
O       8.99524059       6.88021435       8.91472359      -0.28719192      -2.08761905      -0.36810281 
O       6.93744155       3.57254139       6.04568488      -2.48937677       5.90187591       3.83206757 
O       6.37717497       8.91538787       6.77394516       1.72595903      -0.46386303      -2.89719506 
O       6.47156618       6.71235691       9.26387926      -1.06341810      -2.55042415      -2.37837377 
O       4.06054252       7.18937271       9.84834055       1.94962539      -1.39292081      -2.04553816 
O       6.00020286       6.20039395       1.41660027      -1.42517282       1.01647160      -1.16043625 
O       8.63136838       6.36286360       1.02906588       0.09902758       1.41874741      -0.91698553 
O       8.62947180       0.40420737       4.37509715      -4.46550150       2.96383431      -2.11265643 
O       8.88507567       8.65549287       3.55687559      -0.14513058      -2.24472462       1.14769899 
O       9.39982630       9.30957835       1.18211082      -1.04998998      -3.33971594      -0.83516719 
O       6.00134409       4.52628748       3.48549799      -1.34406094      -2.60903128       1.47461842 
O       6.13343549       6.61688769       3.99450697       1.25961575       4.41631508       0.45006302 
O       6.21703531       9.50873193       3.62840421       1.01933516      -1.28108358      -0.07683550 
O       9.17496701       9.36925537       9.13883109      -1.06388934      -0.02214383      -1.34469174 
O       8.94284993       5.90451625       3.44357259      -0.09387123       3.10046077       0.93289091 
O       8.63246639       3.50802784       3.77580421       2.16366136      -1.11992900      -0.50655563 
O       3.20155856       6.75502625       1.74226614       1.90440410       0.48509524       0.55538729 
O       4.12821780       1.89748553       9.26841123      -2.06442010      -0.13516215       2.41921449 
O       6.46983109       1.50654544       9.05283096       5.30845558      -2.68639365       2.45521843 
O       3.38932617       6.55573557       7.24969528       0.13728310       0.28347851       0.43826256 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.022544849251366635 0.01528210966389855 -0.009927106021593498 0.01528210966389855 -0.02088040341850431 0.01548710556493473 -0.009927106021593498 0.01548710556493473 -0.019273578823401593" pbc="T T T" energy=-934.63643269 free_energy=-934.63994739 config_type=crystal 
Hf       0.09606768      10.21871833      10.39540620       1.81737166       1.94029764       0.61227515 
Hf       5.20799692       2.26169474       2.51263152      -0.57151991       2.94789601      -1.80081502 
Hf      10.31754814       2.47196981       7.57749311       3.96963056      -4.83300000       4.09312637 
Hf      10.16291307      10.17379761       5.01519811       0.80077899      -0.45147205      -0.72304459 
Hf       7.06391029       5.16163679       7.83116355       6.26589711      -0.45231433       3.11094269 
Hf       7.74696234       7.66926536       4.97336126      -1.74572466       0.19212306      -2.69673085 
Hf       8.19620315       2.25675983       0.06039950      -0.44196155       1.00672289       0.97382176 
Hf       7.88865052      10.13843776       2.22105773       0.44009613      -2.77300406       4.30746610 
Hf       2.50221650       2.59951029       4.84438983      -3.66417486      -0.71125607       6.20822235 
Hf       5.18544069       2.24062901       7.77462294      -0.10545014       0.15672875      -0.53569330 
Hf       4.91252636      10.25673533       5.06429202       3.62337952       0.32996050      -1.56911605 
Hf       2.37106601       2.49679009      10.17715265      -2.07451992       1.42683820       1.80166692 
Hf       2.35648157      10.46472573       2.79825987      -0.63004666       0.72145940      -1.30567392 
Hf       0.07356975       2.75280412       2.46665068       2.05720561      -0.10075860      -1.76020682 
Hf       2.53354278      10.31574796       7.42233044      -2.80409046       0.40812657       3.22042396 
Hf       7.56986053      10.25550263       7.96896792      -1.45418089       1.80695487      -3.72214965 
Hf       2.14828164       5.15212395       8.05711311      -0.24249738       0.78412075       0.45638627 
Hf       5.16987850       4.82154306       5.35456758      -0.85704243       1.41415608      -0.82884855 
Hf      10.27450757       5.41297546       5.02584768      -1.81748408      -0.42409883      -0.41379463 
Hf       2.58067480       7.93052505       5.06909360      -2.15951473      -4.30643848      -2.88371083 
Hf       4.86003293       5.31738358      10.10385586       0.06220933      -2.01602429       2.76651599 
Hf       5.06797120       7.83704765       2.27327989       0.25431189      -1.91073669       1.94351321 
Hf       4.93161064       7.73537218       7.72047689      -0.88042622       0.73647970       0.55231243 
Hf       7.64771650       8.09172996      10.03685481       5.51680375      -7.69997917       4.55144544 
Hf       7.37777310       4.99046627       2.38193673      -0.28711030       2.06097382      -0.82801272 
Hf       2.86254474       4.88144489       2.67794651       0.02011902       1.85148062      -2.73989306 
Hf      10.25579149       7.42141737       2.38765033      -1.76321831      -0.68150419       1.48310888 
Hf       9.84911295       5.13870367      10.15825226       0.46917061       2.50931418       1.44314035 
Hf       8.12861369       2.27586975       5.26188686      -3.06766295       0.67671824       2.22599116 
Hf       0.02259234       7.91521446       7.68790838      -2.05176976      -1.42177343      -0.12879315 
Hf       4.99106881       0.28673788      10.38575166      -0.58182568      -1.62262306       0.57652702 
Hf       2.54868904       8.19101966       0.12161117       1.62359784      -3.81750674       0.85566741 
O       1.52502121       9.37836285       1.27571664      -0.00554037      -0.41052711       0.21618117 
O       0.56388065       6.51140514       0.89526368       0.29416120      -0.61949306      -2.24386059 
O       0.86631040       1.00021517       6.13807621      -0.55645754       1.32272010       0.87466378 
O       0.86245727       1.39684197       3.75842927       0.38487094      -2.30359785      -0.52519404 
O       4.17375718       4.06077874       1.26151558       0.86573784      -0.27847568       0.16036883 
O       1.58659962       1.21425357       8.66889463      -0.15181695       1.69998148      -0.03463298 
O       3.83674858       3.34928950       3.80160915       1.03592577       2.07983320      -1.08002496 
O       6.92114682       3.37063814       1.29632710      -0.86405313      -0.05008389       0.93549700 
O       3.42617975       1.11801236       4.11947738       1.15034613      -3.09917476      -1.64921120 
O       1.33852692       3.78306220       3.80665145      -1.43324412       1.92327560       0.10411052 
O       1.36233763       1.42273588       1.07156451      -2.74043340      -0.82732397       0.59357760 
O       0.95096364       6.44145900       3.69454421       1.37457908      -1.17557638      -0.28360016 
O       3.63807896       1.12337063       1.45959344       3.49645243       0.37506557      -0.31230987 
O       1.83060557       4.03833963       6.59538415      -1.59834897      -2.66487061      -2.03809923 
O       1.23047534       9.02798273       6.54456970      -0.01233662      -0.00925725      -1.43720052 
O       6.04805140       1.40916163       3.92845101       0.38559667       1.44696807       0.98165270 
O       6.43964081       9.10016372       9.23076232      -3.86405186       4.07741705      -2.28908155 
O       8.86041228       0.99376245       7.14835348       1.40794288       2.52222712      -2.53997044 
O       3.29273957       3.99959658       9.21580602       0.83021059       2.85310401      -0.52933686 
O       4.07468445       9.89738443       8.70708988       0.56116818      -1.95537166       0.43805678 
O       1.75211085       3.95713186       1.23854468      -1.75563022      -0.84102643       1.48391142 
O       3.76369785       8.90548947       6.19482823       0.12323471      -0.51133860       0.86420441 
O       1.53681536       9.25529070       9.20349892      -1.66153589      -0.62833917      -0.49182291 
O       1.02749469       6.77250669       8.77985100       0.93629348      -1.94835127       1.35225230 
O       1.26088886       8.94970885       3.83257549      -1.73211991       1.86351023       1.25085598 
O       3.76268954       6.26985917       4.12893736      -0.55269516      -0.26864458       2.58855704 
O       4.14831908       9.07996406       1.03897277      -0.45866316       2.23039787      -3.15489882 
O       3.73504412       9.12804525       3.55632946      -1.86988938      -0.96924897       1.60983686 
O       0.76706591       3.88716081       9.37399133      -0.99487617      -0.45666724      -2.19483712 
O       9.42596009       3.64096219       1.07081932      -0.16060603       1.45850369      -0.91066969 
O       6.47179696       1.09591612       6.35887702      -1.00578560       1.46854647       2.48509358 
O       5.83227791       3.91664106       8.85675015      -0.51664310       0.26728582      -0.65278914 
O       3.72841817       0.83931137       6.40654648       1.66190382       3.88362896       0.69243515 
O       4.21355344       3.48415737       6.56653229       1.27606696       0.19437197      -1.44522387 
O       8.36454350       4.05813665       9.18020440       1.02235593      -0.73229583       0.22974208 
O       8.65727422       6.33018676       5.99407218       0.02989088      -2.07395027       3.20014142 
O       9.67220581       3.73644387       6.47243152      -1.85357474       1.33556604      -3.20560593 
O       9.60654537       1.25709444       9.37372255      -1.16261813       2.22309233       1.65992964 
O       6.66809598       0.85368000       1.24249326      -1.89240632       0.72800077      -1.09657895 
O       9.31356974       1.18632378       1.71369247      -1.61729215      -0.80052226      -0.93785056 
O       6.75625896       8.54832924       1.33412201       1.69668903       1.80030752      -1.02466997 
O       8.95706962       8.87479608       5.87443430       2.15569705       2.42001847       3.94270672 
O       0.79656929       6.54624691       6.16524269       0.94223377       1.80221820       2.00216520 
O       5.86527889       6.25617796       6.77889840      -1.61295735       0.14120787      -5.32246162 
O       8.86484377       6.97334030       8.76082523       0.13919263      -1.82903789       0.28256898 
O       7.04070683       4.11089614       6.30237545      -1.88508194      -3.73542597      -4.52152677 
O       6.09181759       9.11589138       6.58341888       2.17179317      -0.48316928       0.80439776 
O       6.27619268       6.54424546       8.89515169       0.88042494       2.35358084       3.69058123 
O       4.15704444       7.00648403       9.48259061      -3.26111103       1.92134937       1.70234517 
O       5.89848594       6.17430245       1.18563782      -0.04803521      -1.07392325       0.27234934 
O       8.45085501       6.35257260       1.19661896       0.72493171      -1.08026126      -0.81733210 
O       8.29683388       0.61126627       4.38203603       3.05814744      -0.92112167      -1.08603372 
O       8.87499002       8.67297352       3.42393800      -0.41770989       2.71515927       0.73587254 
O       9.63678484       8.96312788       1.21483339      -2.68961127       2.28228156      -2.79414916 
O       5.71909339       4.49725926       3.49143494       3.03966412      -0.44674850       0.12653567 
O       6.20063886       7.31759926       3.76248398       1.40025391      -4.32391376       1.76272856 
O       6.00107501       9.40870164       3.60513482       1.82239281       2.99383541      -0.71027240 
O       9.22347031       9.37836369       9.02154843      -1.87064588      -0.75451845      -0.79479510 
O       8.90802333       6.47870256       3.78048428       0.65834801      -3.53931154      -2.14565478 
O       8.80583115       3.47200601       3.85797906       0.81245827       0.61761787      -1.43004718 
O       3.13605418       6.74125608       1.69764098       0.56136784       0.62511870      -1.20919740 
O       3.96461236       1.66907945       9.40687142       3.01683837       0.16692852      -0.92501249 
O       6.64769600       1.45970375       9.32156456      -0.10478566      -2.00174000      -2.27405730 
O       3.35349304       6.47570441       7.29816729       0.83502822       1.15146694      -2.15272567 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.048765775936105836 0.00809139865836195 -0.0027155660015982176 0.00809139865836195 -0.034712729132341115 0.003445668709885097 -0.0027155660015982176 0.003445668709885097 -0.033126311182533015" pbc="T T T" energy=-929.46062443 free_energy=-929.46098597 config_type=crystal 
Hf      10.00222488      10.36473082      10.01726554       0.65268989       0.14132990       1.53731300 
Hf       5.12147044       2.53099352       2.49530106       1.75086717      -2.29179576       2.03766557 
Hf      10.09197495       3.03206118       7.82675111      -0.03521272      -3.79811300       0.07168578 
Hf      10.20926745       0.00038076       5.48683387       1.59243628      -0.13297523       0.31304232 
Hf       7.58801803       5.16394699       7.81778827      -1.86762634      -0.54098933       0.69856283 
Hf       8.16480330       7.45131846       5.27036354      -7.34772470       2.75971055       3.79634636 
Hf       7.95368466       2.74642623       0.07052680      -5.56139322      -2.45672210      -3.04795682 
Hf       8.04276353      10.31762727       2.68662445      -0.77964983      -0.35401424      -1.20630088 
Hf       2.58542750       2.51345270       5.07088939      -0.82640060      -2.34090828       1.83244014 
Hf       4.87866590       2.56971784       7.61033155       4.79465410      -6.83510065       1.38736344 
Hf       5.20171019      10.25599433       4.83407864      -0.56787916      -0.56090548       0.83494977 
Hf       2.04567656       2.61072389      10.45473888       2.45816058      -2.44056811      -1.32353719 
Hf       2.55657271      10.37568663       2.45555190       0.34039921       0.06344754      -0.26083572 
Hf       0.06906823       2.54628443       2.52835091      -1.34941286      -0.85680432       1.65045086 
Hf       2.66207190      10.20849212       7.26655623      -3.84545805       0.12932357      -3.87480967 
Hf       7.30131500      10.20004516       7.78070160      -0.24369802       1.69453161      -0.51350046 
Hf       2.36029409       5.52323803       7.60257285       2.25737729      -0.73521711      -0.68619981 
Hf       5.26288251       4.85009150       5.44102875      -0.43593239       1.01387306      -2.19079652 
Hf       0.23343059       5.11532814       5.04343121       0.20563574       1.56631487      -1.90705669 
Hf       2.59523433       7.70232222       4.51449688      -0.29075871       1.55414740       1.01502366 
Hf       5.09485385       4.94777726      10.21986971       1.88423905      -2.49112382      -1.73771848 
Hf       5.47263490       7.75114202       2.43791279      -2.44236854       0.83104737       2.21967707 
Hf       5.09357101       7.71218588       7.26244458      -0.27138111      -0.25977703       1.35021317 
Hf       7.37769859       7.64740126      10.31804801      -1.60815338       5.79525609       0.32494777 
Hf       7.53208111       4.98940636       2.32136653       0.27930238       0.46448951       2.69699374 
Hf       2.80581773       4.85306704       2.49333854      -1.51803365       4.66872175       2.06960652 
Hf      10.32792622       7.93535332       2.47383813       2.81521997       0.26868397      -0.06493117 
Hf      10.31836367       5.08102046       0.13580439      -2.98015831      -0.67794545      -1.70128427 
Hf       7.69536345       2.56557155       5.02888047      -1.52530817      -2.32765762      -1.06448124 
Hf      10.06851297       7.56678619       8.30868947      -1.07180784       2.65678550      -4.57657946 
Hf       5.04881910       0.08617848      10.21316444       0.61520597      -1.76106635      -1.30323853 
Hf       2.25686281       7.32245830      10.35414551       0.55217395       2.22439380       2.69744845 
O       1.28399268       8.62925767       1.11854121      -1.08008403       1.63217895       0.25593928 
O       1.17746843       6.45340743       3.50412374       0.58761807      -1.53255519      -0.02747703 
O       3.88812998       1.31094985       6.16179837       1.13955916      -0.45680292       1.70795480 
O       0.54068640       1.32471719       3.94296062       1.24518590      -0.41922076       2.06513923 
O       1.02167601       3.91171745       1.27463402       1.19173013      -0.46971609      -0.10160174 
O       1.30748700       0.72010146       9.73871882       0.43000050       3.03460937       0.23571191 
O       4.17734625       3.79794148       4.10002019      -2.27451183      -0.31524225      -1.01158134 
O       3.81019133       3.62519036       1.46641353      -2.23253114       1.03289650      -2.39383999 
O       3.41780888       1.09265548       4.00456311      -0.84601043       0.12221074      -2.57707521 
O       1.61717861       3.80485022       3.79365086      -1.85607896       1.32412684       0.82791878 
O       1.77065361       1.74818624       1.82901775       1.86480822      -0.62339875      -1.38494388 
O       3.32403655       6.76919906       1.60659802       2.31554934      -0.74705370      -1.92151654 
O       4.58934016       1.13547950       1.27376187       1.88900292       4.92200438       1.75191453 
O       8.63953684       0.73199462       4.41912625      -2.38398554       2.03763942      -0.77142628 
O       1.12254464       9.21993818       6.09564853       1.89155535      -0.15742124       1.03466567 
O       5.96148797       1.31048274       4.08805847       2.07884590       2.97304149      -2.05936499 
O       5.89227101       8.91137158       9.08313406      -0.23961221      -1.11580737      -1.92251938 
O       1.33484345       1.49862524       6.49194010      -0.17121996      -1.49449505       0.60732181 
O       3.36903461       5.35922022       9.57416975      -2.30851870       0.83640892      -0.31468550 
O       0.80078864       8.93109513       9.09561416      -0.70209954      -1.50547558      -0.51288597 
O       8.90357279       3.98190891       1.13112295       0.96585694       0.60879717       3.44545376 
O       3.98055375       8.95530669       6.02133318      -3.19919524      -0.19430075       1.17563265 
O       8.39797401       9.10074721       9.07304265       2.66778559       0.36872201       0.73148666 
O       1.02665489       6.20247201       0.91580590       4.28633475       2.16124461      -0.61112449 
O       1.59477425       9.04810798       3.58963835      -1.27874736       0.89483309      -1.05574540 
O       3.99489098       6.60780073       3.85213797       1.60330968      -2.09426653      -0.46437320 
O       3.59475465       9.94131473       0.89315903      -2.77982459      -5.49432495      -2.39013638 
O       4.21323946       9.34675158       3.34574575      -0.81852807      -2.13838503      -0.33303692 
O       0.88676020       3.63227231       9.16307280       1.79686290      -0.80401077       2.16197400 
O       6.07171244       3.80093136       1.24200731       2.26999294       0.97237907      -1.76952892 
O       6.77258623       1.12337785       6.53831050      -0.45492028       0.99140178      -1.15556764 
O       6.60835826       3.82979923       8.93513194      -3.10339142      -0.91480996       2.31343262 
O       3.80166514       3.82306706       6.88303468      -3.08016820       3.54298693      -3.51440694 
O       1.19031517       3.91771050       6.60029426      -1.14150921       2.81662799      -1.02322545 
O       8.85845991       4.18408136       9.29430116       1.80396646       0.59777692      -4.10245196 
O       8.93214510       3.47886472       6.30961984       0.57404363       1.13222700       1.56913021 
O       6.41061836       3.50089931       6.37226047      -0.89479281       1.58339569       0.12736495 
O       6.46367655       1.13790829       9.17005124       0.28857044      -0.33501552      -0.10415981 
O       7.32003453       1.47924875       1.40742864      -0.63862075      -1.45978635       2.34376836 
O       9.17612311       1.72064024       9.52259389       1.98460844      -1.33708031      -2.28892547 
O       6.26225631       8.95169261       1.10372348      -1.41859451      -0.05784458      -1.52381223 
O       9.17791167       8.34675044       6.59820814       1.05053521       2.99849629       1.05800412 
O       0.64138506       5.84052109       8.68516863       0.89017565       2.61382557      -0.38453386 
O       8.70981109       6.70845920       9.33567624       0.23717297      -3.34815859       0.64354061 
O       9.51243184       6.42966496       1.78035023      -5.08471052      -4.74787183      -2.09464543 
O       8.84963010       6.15850162       6.80937911       5.08230750      -1.13642916      -1.00485865 
O       6.29165607       9.08290924       6.25951950       1.66508060      -1.59060787       0.94739286 
O       5.89197649       6.29234956       8.54136566       1.20094928      -0.66934949       2.34705584 
O       4.12941629       6.08024145       6.43743035      -0.84691983       2.16129319       1.38842591 
O       6.61242794       6.12670143       0.93321830      -1.57804994       1.01334039      -0.88235812 
O       9.32563978       6.88942032       4.16610807       6.04967503      -7.60338558      -3.14224879 
O       9.80366442       1.04870288       1.46642200      -0.69638560      -1.55544969      -0.42956886 
O       9.29187970       8.94420938       3.77777636      -0.70421344       4.20048649       0.48821925 
O       8.61984091       8.77277742       1.11705711       2.20546118       1.32367120       0.85062322 
O       6.51646869       3.70111322       3.53984237       2.51864966       0.77778229       2.23733111 
O       6.53868738       6.45541306       3.54614135       1.42630709      -0.72088134      -0.72460181 
O       6.56964525       9.17050244       3.47832309       1.07687052       0.08529916       1.83091005 
O       9.25004891       0.45024002       7.16391169       0.18791045       1.02840558       0.67437467 
O       1.67977465       6.56694005       5.80122240      -2.09153112      -3.41448150       4.12828661 
O       9.14477705       3.63866256       3.87650193       1.05405117       1.19046780      -0.79135013 
O       3.11847818       7.50723267       8.56139723       0.86522500       0.98645241      -3.01161908 
O       3.82863738       0.50155025       8.42786223       3.12758998       0.34576635       4.19826004 
O       3.93025057       3.02986798       9.16785460      -1.35663619      -0.11392895       4.22570797 
O       6.72201156       6.08979604       6.14577451      -1.81540845       1.24586582      -0.67704197 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01730436828878236 0.017116452514646507 -0.010845573256039364 0.017116452514646507 -0.033116252559912525 0.0018714014054847954 -0.010845573256039364 0.0018714014054847954 -0.030787735140817254" pbc="T T T" energy=-931.52251545 free_energy=-931.5236682 config_type=crystal 
Hf      10.00079990      10.22146005       9.97239422       0.28213055       6.29598555       3.94620851 
Hf       5.10810992       2.55865820       2.42774090       2.24518217      -0.38578104       3.53214675 
Hf      10.19274499       3.05435094       7.91654744       0.99604860      -4.65181249      -1.44725164 
Hf      10.33530750       0.01691516       5.44660807       0.91909603      -0.15571919       3.24117040 
Hf       7.65157580       5.27152194       7.91090720       2.84856528      -3.78222414      -1.66597078 
Hf       8.21566620       7.42416181       5.35949768       1.45660095      -0.07893924      -1.99397879 
Hf       7.82927231       2.70040111       0.03528533       0.06934437      -4.42100833      -0.25500200 
Hf       8.17556119      10.19638827       2.57035962      -2.00298548       2.90183240      -2.17780803 
Hf       2.51804799       2.40966211       4.98999969      -1.22353918      -0.69074613       1.46971022 
Hf       4.96096655       2.61307365       7.68354052      -0.31196279      -3.01611380       1.86452766 
Hf       5.10123928      10.24534015       4.94927110       1.56906553       2.67670514      -1.59899396 
Hf       2.04685600       2.61334190      10.38583832       4.14791029      -3.46431887       1.79978213 
Hf       2.58257651      10.44373587       2.32431747      -0.51114368      -1.46028835      -2.07124596 
Hf       0.06965434       2.52502769       2.58830508      -1.06906942      -0.94609009      -0.20975026 
Hf       2.69198733      10.12318746       7.29162759      -5.54347630      -0.70569518       4.62792260 
Hf       7.22714261      10.12802054       7.70146556       3.43750002       4.49751236       0.67374950 
Hf       2.48029745       5.52582266       7.51266170      -4.96339014      -1.04569891       0.94189599 
Hf       5.29784224       5.01843238       5.40898910      -2.87451464      -1.23205520      -4.84318372 
Hf       0.17226727       5.13274254       5.08501541      -1.83635491       0.91486903      -4.67699773 
Hf       2.63542851       7.64708957       4.47725239      -1.94352115       0.09593444       1.04869218 
Hf       5.05909817       4.93989579      10.13878136      -1.91140105      -2.80808628       0.54740289 
Hf       5.48593880       7.85430421       2.38666756      -2.38744720      -1.85434298       2.51576174 
Hf       5.11471095       7.74413678       7.27181361      -1.76617225       0.48205251       0.61682317 
Hf       7.27131259       7.64394103      10.27889259       2.13413369       2.48991312      -1.48048873 
Hf       7.42467183       5.02963184       2.48730645       4.71853041      -1.53743702      -1.34257995 
Hf       2.71489261       4.83411590       2.51552574      -0.37226389       3.57698053       0.97865534 
Hf      10.37412779       7.91213353       2.61871368       1.54566115      -1.09043143       0.53021354 
Hf      10.27806671       5.04355188       0.09227494      -0.41507501       1.25049286       1.11270581 
Hf       7.72565295       2.50160758       5.05970427      -1.10198478       2.49812632       4.19768569 
Hf      10.06192670       7.73415590       8.20449029      -1.14125357      -3.88267823      -2.35095920 
Hf       4.99038150       0.11039109      10.21691762       2.48042160      -2.01309799       4.28388204 
Hf       2.26084510       7.43990874      10.46362144       6.07653187       6.44242849      -4.33503714 
O       1.33721739       8.47285779       1.36725476      -1.41868905       1.49045090       0.58105880 
O       1.29803016       6.38404740       3.52877541       1.68959356       1.34608370      -1.46476886 
O       3.63377808       0.86370944       6.25650189       3.07234098       2.97587899      -3.38434320 
O       0.67260364       1.27445661       4.14709077       1.50195996       1.51196075      -0.59492866 
O       1.18501488       3.96802707       1.27439633      -1.06126287      -0.41496944       1.49058034 
O       1.25507091       0.85587769       9.87056835       0.21468100      -0.78741998      -1.64970216 
O       4.25780496       3.60153539       4.05331205      -1.45680578       1.85365246      -0.29144372 
O       3.64696906       3.67790034       1.29527901       1.75786909       0.64464716      -0.08569239 
O       3.39043925       1.41036409       3.57413582      -0.27559487      -1.18914599      -0.19230366 
O       1.66137434       4.04947723       3.99133958      -0.17259230      -2.18919523       0.24681445 
O       1.64744090       1.64400055       1.62461108       0.24332161      -1.02514503       2.50387867 
O       3.78459079       6.87848575       1.48283342       0.60556437      -0.75643629      -1.00824958 
O       4.55861527       1.21908550       1.32025493      -3.30092458      -2.37841639      -2.04867841 
O       8.16371732       1.14389433       4.02885756       3.67269285      -4.03328374      -2.61350080 
O       1.12611665       9.12082672       6.22418896       1.28816721       1.39174256       0.59628181 
O       5.82912863       1.36302495       4.07865679      -1.40221986      -0.75752467       0.20177518 
O       5.73101879       8.99777089       8.69451442       1.60575303      -0.96286127       0.81987285 
O       1.12904457       1.46340031       6.77210301       1.16763050       0.13880067      -0.75099533 
O       3.26807011       5.45380264       9.43508913       1.57440232       1.55538752       0.09953894 
O       0.57979116       8.80127856       9.30402666       4.26590531       0.17983938       1.13405991 
O       9.13136503       3.60183472       1.49066601      -1.71741325      -1.68160883      -1.68178519 
O       3.67927591       8.85388869       6.26777534       4.44203256      -1.43578211      -4.18277495 
O       8.56428883       8.96776566       9.12862676      -2.17916573       1.22348591      -0.51798593 
O       1.26450043       6.22519968       0.71960096      -3.69077057      -5.00678764       3.04215038 
O       1.51091256       9.21071118       3.57917979       0.19176054      -1.34851876       0.92124861 
O       4.20035420       6.35420292       3.92930296      -2.77836188       0.86401862       0.97720318 
O       3.23040529       9.58478949       0.44828964       1.89934417       0.26106609       0.89501452 
O       3.93009400       9.26519507       3.57606568       1.85971631      -1.36488794      -0.48372782 
O       1.18249964       3.64583400       9.18691051      -2.92877438       3.35822658      -2.35107671 
O       6.30625286       3.73595656       1.09511880      -0.25212992       1.81669958       1.68642347 
O       6.47543941       1.17868523       6.51345160      -0.90264063      -1.04725508       0.63015665 
O       6.47591447       3.48713406       9.12860038      -1.40302723       3.19055135      -0.85261796 
O       3.26764623       3.60938074       6.49880614       2.47358783       1.01686892       1.84564347 
O       0.67454146       4.42609078       6.67697613       2.45389744      -3.29703508       4.82708649 
O       8.97400990       4.28716160       9.07600281      -0.57854956      -1.14240654       0.34048760 
O       8.92657792       3.26381466       6.50921928      -2.25622942       0.75913388       0.70523754 
O       6.26327006       3.76064277       6.61714600      -0.51096380       1.10080480       0.83636892 
O       6.65287122       1.17755708       9.18294477      -0.12006993      -2.05858802       0.10320066 
O       6.90763998       1.10537903       1.49820660       1.94856569       1.36103183      -0.63036149 
O       9.46640327       1.80453291       9.58507281      -1.77419472       0.53885337      -0.63999936 
O       6.12908626       8.90194237       0.87531384       0.18103481       0.67942189      -0.70059199 
O       9.28120846       8.42316123       6.58163271      -0.55695060       1.61568427      -1.68420453 
O       0.69848865       6.15865872       8.65543007       1.48313797      -0.08735490       0.51911317 
O       8.79801436       6.56400742       9.54201005      -1.11175602       0.14865642      -1.44504365 
O       9.19133342       5.91670760       1.58241639      -0.22319831       0.91077970      -0.40803873 
O       9.06766156       6.03067604       6.65774324      -1.36885100      -0.20031498       0.15498104 
O       6.89035872       8.82917402       6.23085823      -3.61209973       0.25988137      -0.06458786 
O       5.99238210       6.02419076       8.58507691      -1.08110565       2.81295054       1.54841598 
O       4.03547775       6.24145264       6.60208241       1.74933288      -1.41904736      -1.32994173 
O       6.68954740       6.31698229       1.04368067      -2.27071077      -0.64332119      -1.06270697 
O       9.41571651       6.37955928       3.91003626      -2.82139606       2.30175399       2.10480444 
O       9.66564204       0.69335236       1.44325643       0.17216253       0.44198225       0.73954392 
O       9.54788023       9.52776032       3.83704760      -0.42006309      -3.28181930       0.40810958 
O       9.04915837       8.69618525       1.36976194      -2.17494416      -0.41137512      -1.57386234 
O       6.66187508       3.76846018       4.03982373       0.68095280       2.21800876      -2.00015984 
O       6.38084202       6.24379686       3.40548410       0.24392492       2.58528932       0.89757234 
O       6.62483939       9.19748169       3.55572744      -0.84530178      -1.40648903       0.39693818 
O       9.29104701       0.51973297       7.12697365      -2.37166519      -0.78137750       0.14525201 
O       1.38052224       6.45829127       5.93496076       3.44793347       2.56659422       0.66743277 
O       9.63309404       3.47365255       4.21733718      -0.98767671       0.30926248      -1.29738969 
O       3.08969289       7.99991794       8.27810535       0.71989210      -0.74599639       1.55432952 
O       4.12344773       0.51548045       8.70551471      -2.94125570       1.84525513      -4.78782922 
O       3.76053915       3.10630986       9.36863420       3.47884787      -0.31095764      -2.14854262 
O       6.62555527       6.36976417       5.83582732      -0.64869745       0.06958997       2.92395320 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00614461213089248 0.0024527490034387104 0.0024779252914186576 0.0024527490034387104 -0.005501029602840651 -0.011966533621260043 0.0024779252914186576 -0.011966533621260043 -0.024646815099750086" pbc="T T T" energy=-932.41678344 free_energy=-932.41709895 config_type=crystal 
Hf      10.20650877       0.13436727      10.39669595       1.04778887       0.60397343      -2.20728214 
Hf       4.95178048       2.63146601       2.08468200       1.99862444      -2.97355136       2.30339463 
Hf       0.08453403       2.56503306       7.82691375      -0.86698416       1.77844177       1.83743902 
Hf       0.08239746      10.36904038       5.02811508      -3.98801688       2.62986154      -1.36081741 
Hf       7.66003511       5.32657907       8.05871894       1.73272940      -1.77950760      -3.92158103 
Hf       7.88265799       7.46735216       5.16033804       0.09869923      -0.40175052      -0.59806473 
Hf       8.00341983       2.61293550       9.92534415      -3.43470625      -4.24456211       2.75490804 
Hf       7.65791058      10.21209375       2.64213892      -2.61952430       2.17995280       0.53355968 
Hf       2.78788148       2.82333657       4.96153895       2.10294385      -4.05295087       1.45495138 
Hf       5.14238808       2.45664457       7.85180426       0.74386385      -1.94212114      -4.36549848 
Hf       5.22718084       9.98071244       5.05543605      -1.44323309       2.47712488      -0.07902172 
Hf       2.55828173       2.58465331       0.01443352       0.10764349       2.82611074      -5.07113524 
Hf       2.84183339       0.04500330       2.29016197      -0.38444728      -5.44327058      -3.07649398 
Hf      10.23359959       2.51109602       2.60658733       1.01860857      -0.37036322       0.92728845 
Hf       2.03761696      10.45105897       7.51409850       4.55227830       5.23815811       4.03423610 
Hf       7.63538281      10.33809738       7.64354750       0.29012957       1.72907005       0.33194676 
Hf       2.02728389       5.34467283       8.03166695       0.19169455       1.61749287       1.88823033 
Hf       5.02126788       5.18507846       5.38599423       1.38597783       0.66720578      -0.32635014 
Hf       0.10087292       5.14404834       5.33784950      -2.79172075       2.11568230      -1.72257430 
Hf       2.39828944       7.82817681       4.95599134      -1.12934158      -1.49688533      -1.14246786 
Hf       5.21229299       4.72924771      10.12779845      -2.11389612       5.10833593       2.90541381 
Hf       5.07659724       7.53071652       2.42872169      -0.21586446      -0.82953753       1.93687420 
Hf       4.94666910       7.46621762       7.73071964       0.43042239       2.19983787       0.50691049 
Hf       7.62112000       7.55397033       0.27715241      -0.71861201      -0.00214277      -0.59833164 
Hf       7.81793448       4.74124041       2.74724929      -1.33202758       5.46570714       0.07297758 
Hf       2.60707621       5.14931587       2.74400602      -1.31716082       2.36777001      -0.66267229 
Hf      10.18782828       7.91458503       2.59493824       3.64972814      -1.24847296      -1.52966766 
Hf      10.06312330       5.08277899       0.17225146       2.16550571       1.43221249      -0.19254610 
Hf       7.55865165       2.78625514       5.12639060       1.24844810      -3.66535905       4.19297647 
Hf      10.13259385       8.14056954       7.70509995       0.92493734      -1.47175581       1.18448528 
Hf       4.80637293       9.97669174       9.84808454       3.00964450       3.49517798      -4.44710412 
Hf       2.43498508       7.74321555      10.33496913      -3.59976772       3.63739427       2.44206543 
O       1.73888084       8.95607156       1.40326518      -1.03578476       2.50163827       2.14603764 
O       0.72481386       7.00377653       0.57427506      -1.82310400      -2.61783569       1.53045688 
O       3.26550642       0.94002981       5.74912008      -1.79213885      -0.73922113       0.86347343 
O       0.97593704       1.48450257       3.88494386      -1.30071889      -0.92598891      -0.00077136 
O       3.42950068       4.23922776       0.98621443       0.87258521      -1.52962554       2.46646595 
O       1.23470923       1.38952359       9.01791330       0.87961794       0.21009254      -3.94266695 
O       4.16605908       4.00443908       3.74256366      -0.54090634      -0.41688190      -1.39160561 
O       5.89257966       3.22039155       0.46889309       1.42438600      -2.77104648       3.23649545 
O       3.15930097       1.62769432       3.16663264       2.81025848       4.76465861       1.22855593 
O       1.48856942       4.12099027       4.38184209       0.88885068      -0.03578173      -1.54930104 
O       1.29917485       1.46347116       0.62478776      -3.39215359      -3.50064497       6.62861585 
O       3.79335822       6.49862790       4.08103188       0.10282098      -0.37490359       1.08316537 
O       3.71675883       1.18022387       0.75257745       3.17837952       0.14265974       1.12991931 
O       8.75546319       1.21392817       4.00532965       0.81800609       0.72134940      -1.59676670 
O       1.24222480       9.16615227       6.50742767      -4.27181005      -1.97700609      -1.37355826 
O       6.02481172       0.67783287       3.62661753      -0.96354464       0.64274441      -0.16399337 
O       6.26572659       8.56089370       9.37242391      -1.62334717      -0.32636292      -0.03306943 
O       0.30292365       1.17002770       6.63265356       2.46029075      -3.37902125      -2.37218712 
O       4.22414199       3.49587795       9.23123832      -5.25254556       0.10068222      -1.89193397 
O       0.99430187       9.42218891       9.35911844       0.77068765      -1.29066580      -2.47251382 
O       0.68724094       4.26508912       1.68584180       0.75693400      -0.85989380       1.03213225 
O       3.55145807       8.66046243       6.18973695       3.50981416       0.17394363       0.20851375 
O       8.83060872       9.05884755       9.08134214       0.07696137      -1.37697189      -1.24575899 
O       0.64465816       6.67754843       8.73482091       1.29599941      -1.00836882      -0.95051415 
O       1.11238761       9.10105481       4.06716228       2.31213110      -1.20981459      -1.71534505 
O       3.64854725       5.95063065       7.11262428       3.08096948       1.81825989      -1.17519316 
O       4.22088575       9.29296378       0.92971788      -1.47466713      -2.37318775       2.56230087 
O       4.06747470       9.14070297       3.36377200      -0.75644737       0.52100824       1.91399933 
O       0.97732789       3.77679609       9.64539831       1.77718543       2.55446951      -1.44074650 
O       8.04734846       4.20050596       0.92353466       2.65887814      -0.42177761      -1.84142660 
O       5.74246693       1.86681350       6.11338968       1.06533646      -2.06668550      -2.47176732 
O       6.68893146       3.36449616       8.54463007       3.09565326       3.83809970       2.19022762 
O       4.07976516       3.76074125       6.22223879       0.24601989      -1.54228660       0.20474180 
O       1.86322108       3.69209031       6.95213839      -3.23602389      -0.40543111       0.00954205 
O       9.25267258       3.78491692       9.05370342      -0.99079220       1.26712259      -1.65766663 
O       9.38151433       3.65650837       5.96067108       1.40703329       0.88047544       1.33002741 
O       6.72564271       4.22591842       6.29105636      -0.36161162       1.59067291      -1.19212743 
O       6.42975811       0.87007687       8.92088368      -0.42707681      -0.01788411      -0.23213189 
O       6.84231697       0.92073726       1.15537073       0.35871253      -0.07187690       0.34350677 
O       9.16700893       0.92118322       8.71826956       0.24146342       2.40000455       2.59989278 
O       6.56211535       8.49355114       1.70679713       2.69305925       2.31931046      -0.52126168 
O       8.89756048       9.06474076       6.14683076       0.72573338      -0.05504761       1.58417036 
O       1.25698288       6.80629064       6.29300768       0.38882190      -2.70943340      -0.52242903 
O       9.32613505       6.36803746       6.69754284      -2.06551475       0.73951197       1.14489784 
O       8.75179196       6.22555857       9.51415164      -1.71064086       0.75703440       0.01225136 
O       9.14983379       6.24072849       4.06061139      -0.66502221       2.44348861       2.20887126 
O       6.07711938       9.16885014       6.74633187      -0.04820829       0.57858096       0.58861999 
O       6.10531553       5.96047725       8.97758976      -0.20760812       2.44078560      -2.35811309 
O       3.32024307       6.26054456       9.69145169       2.11942426      -4.30284057      -3.04569134 
O       6.30811543       6.11561490       1.01324067      -1.00284220       0.40803804       0.72809061 
O       8.79753040       6.71426459       1.80509390      -0.24391228      -0.14754043      -1.84828919 
O       9.39421150       1.98601556       0.90661458      -0.26872368      -0.91148915      -0.42887142 
O       9.24029169       9.26728789       3.65612164      -0.36861334      -1.37314747       1.32920500 
O       9.30672914       9.59578790       1.34186334      -0.70791077      -1.45531611      -0.30794683 
O       6.71980707       3.21626002       3.38050662      -1.71742606       0.70104017      -2.15646240 
O       6.42461805       6.05371267       3.94022162       0.28980158       0.35052759      -0.55625687 
O       6.73168715       8.92883537       4.21261347       0.41325764      -1.90461053       0.45850223 
O       8.16757464       1.60219939       6.62403925      -0.26072400      -2.53262165       0.77521365 
O       1.16616724       6.38270511       3.53418120       0.11769152       1.53237924      -0.25385326 
O       9.42167366       4.07316706       3.56295990      -0.27426249      -2.41397335      -0.06820576 
O       3.47389798       6.88688143       1.61341099      -1.21134931      -1.54906613      -0.16011067 
O       3.54694724       8.74339576       8.61912304       0.44755593       1.22961631       1.53442058 
O       3.84779984       1.26478449       8.45607230      -2.95306168      -4.88831431       1.69996347 
O       6.64423598       6.68194109       6.60796452      -1.22351175       0.11414462       0.35631601 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014012215905878233 0.010210538412320341 0.008479780970225477 0.010210538412320341 -0.021837658049541304 -0.008947936459615577 0.008479780970225477 -0.008947936459615577 -0.02433860595252546" pbc="T T T" energy=-931.16942677 free_energy=-931.16976416 config_type=crystal 
Hf      10.09165897       0.18107028       0.09590807       2.08844095      -0.53587232      -1.97862399 
Hf       4.87364328       2.68602055       2.20687991       1.50765734      -1.57060782       1.13002532 
Hf       0.16845726       2.66703937       7.86767541      -4.30825334      -0.98190646      -1.31833864 
Hf       0.01759494      10.37917658       5.06442798      -2.46280020       0.19517668      -3.39079921 
Hf       7.86404573       5.35071999       8.03170065       1.23669513       3.40645045      -4.25172572 
Hf       7.87922602       7.46917234       5.16725473       0.43931199      -1.20713939      -0.57347291 
Hf       7.92043804       2.56735028       9.90349125      -1.66909209      -3.43486560       1.97378667 
Hf       7.60874435      10.34949360       2.64403926      -2.10129073       2.68984269       0.84181624 
Hf       2.87077661       2.65855222       4.87711398      -1.82300217      -1.91255630       1.69578761 
Hf       5.09910773       2.38733970       7.81504895      -1.99225195      -1.38123151      -2.89251022 
Hf       5.22369549       9.97658415       5.01886767       1.47769233       0.50517022       0.38394949 
Hf       2.52422828       2.54227902      10.42787089      -1.04738624      -2.15012081      -0.72162920 
Hf       2.82680225       0.02398675       2.28489214       3.03319078       1.43591112       1.05419159 
Hf      10.14774075       2.47873506       2.61787031       1.75697003      -3.28122527      -1.07323076 
Hf       2.06695927      10.43720276       7.53944858       1.99838878      -0.78030878      -1.44318655 
Hf       7.64699778      10.33502063       7.69764770      -1.22940742      -0.86926279      -0.92556704 
Hf       2.05546403       5.27082636       8.14275687       1.82927113       0.32856031       0.07016111 
Hf       5.10089473       5.07759383       5.35384091       1.40638961       3.22323394      -2.03064018 
Hf       0.14540001       5.01829506       5.20443821      -5.03374906       3.99905453       0.42504409 
Hf       2.39419265       7.77748984       5.05383880      -0.62190969       1.62631935      -0.73593413 
Hf       5.30545839       4.64661382       9.99547700      -1.31840875       5.26113299       0.63198311 
Hf       5.09195293       7.55348794       2.40417060       0.30537817       0.70303962       0.18967485 
Hf       4.92915443       7.41085205       7.68070868       3.66739343       4.52478884       0.95566789 
Hf       7.65025916       7.70338339       0.24424678      -2.11130240       2.38255736      -1.16347406 
Hf       7.89281083       4.79007025       2.67256395      -3.27274641       4.24313288      -0.11756656 
Hf       2.59465000       5.30314599       2.66573371       0.18472422       0.70154867      -0.02996307 
Hf      10.20068496       8.00199025       2.62616540       0.92244639      -2.55064229       1.02324774 
Hf      10.03913226       5.08957198       0.25919021       1.21684575       0.84962959      -2.22716515 
Hf       7.71253640       2.82536555       5.21476039      -0.12998612      -4.31613166       0.39675447 
Hf      10.09444508       8.04385505       7.78156203       0.78938763       0.41321827      -0.98239251 
Hf       4.72663974       9.93999118       9.75691442       0.39292292       2.61920990       3.26417313 
Hf       2.40380010       7.80169398      10.29617166      -0.02949131       0.50533444       3.76198491 
O       1.83319721       9.28494019       1.52705458      -3.92643792      -4.74540081      -4.13987201 
O       0.64562963       7.28124523       1.10061649       0.16733851      -3.43752260      -4.42324322 
O       3.12848219       0.99143340       6.05018263      -0.44350454      -0.17781962       0.18054730 
O       0.69375918       1.60766274       4.07828388       2.45842093      -0.10017546      -0.15196206 
O       3.19905473       3.83305527       1.21930068       1.19697197       0.29410484      -0.02626144 
O       1.23962039       1.29929804       8.64648398       1.01788546       2.62161029       4.93168444 
O       4.02380029       4.05412726       3.53951875       0.78584694       3.04197756       1.23945610 
O       5.74121078       3.01728876       0.56334426       1.33991244       1.38743418      -3.94612264 
O       3.40430006       1.94772685       3.26869097      -1.07311516      -5.03688350      -2.18136425 
O       1.62012255       4.13716368       4.53819655       1.44475973       0.14953501      -2.92580355 
O       1.13141370       1.08268537       1.23238218       0.54206916       2.12322088      -0.52733169 
O       3.95491972       6.68768955       4.20219929       0.15733575      -1.37002205      -0.27475739 
O       3.88168625       1.04581075       0.65387574      -1.26576506       1.78219372       1.91698569 
O       8.77813088       1.50839795       3.71563057      -1.56152638      -1.23874108      -0.32812878 
O       1.03817032       9.25114420       6.20753347       3.32274846      -2.85333874       3.36772577 
O       6.18796743       0.85407698       3.88908000      -0.07192575      -0.41581539      -1.56351684 
O       6.04475705       8.70157283       9.36058098       2.20251440      -2.40014350      -0.64854133 
O       0.38216325       0.92579337       6.62880608       0.70539379       3.31595678       1.46608406 
O       3.47879009       3.49967613       8.87869568       1.96533314      -0.06486797      -0.33804086 
O       0.82713646       9.14486235       9.39258464       0.20642630      -0.18948809      -1.57752739 
O       0.64530717       3.96818772       1.56683640      -0.07331634       1.79565140       0.92475423 
O       3.92885438       8.72921542       6.03180555      -2.17572936      -1.52202710      -0.07138529 
O       8.57525521       9.07382186       8.94570532       1.59727668      -1.79726162       0.72132586 
O       0.57054532       6.37863229       8.81927247       0.73219574       1.17551875       0.86157723 
O       1.57248302       9.22312241       3.94067753      -1.09111458       1.04142264      -0.55672029 
O       3.96513526       5.85764756       7.45643392      -2.62797923      -2.68220174      -3.57657970 
O       4.18983557       8.96252052       0.94392952      -0.21058213      -0.33201385      -2.63607838 
O       4.31026793       9.32667018       3.14490764       0.38626019       0.15634349       3.22687043 
O       1.21864351       4.17619382       9.62749881      -0.01943639      -1.73364893      -0.08718759 
O       8.28963481       3.95400204       0.80210277       0.68260403       2.99740202       2.03946211 
O       5.72005733       1.90079568       5.98468975       1.05630910      -0.10776471       2.23507573 
O       6.85256506       3.88017776       8.57283177      -4.21833468      -5.06640732       1.46479814 
O       4.04725076       3.61662461       6.03770346       0.32224971       0.79693707       2.80931296 
O       0.98843913       4.17591981       6.84547913       2.14756053      -0.28733362       1.86237707 
O       9.29533051       3.88836662       9.05301087       0.32744512       0.09414440      -0.94948008 
O       9.20363152       3.75051536       6.19704560       0.99195693      -0.26992526       0.68724747 
O       6.88126485       4.51110050       5.95296932      -0.08161456      -3.48829282      -0.29947964 
O       6.16551324       1.13019208       8.78592412       2.24372687      -0.82476176       0.12531174 
O       6.72148710       0.72481920       0.95917584       1.29591357       0.22773384       0.55314181 
O       9.16609219       1.21999239       8.93335405      -0.81032345      -0.01351653       0.43197809 
O       6.91727370       8.76975771       1.80224960      -3.60841820      -3.66959535      -0.84318388 
O       9.20662831       9.16041470       6.30862576      -2.64579026      -0.68134718       1.19146935 
O       1.12376322       6.92596117       6.31207448       0.76889997      -2.97953903       0.35441082 
O       9.08015203       6.52667951       6.56915250       0.12088633      -0.52226435       3.46601997 
O       8.56379064       6.26093516       9.67226400       1.15216118      -0.01322220      -0.33665666 
O       9.29170522       6.48687237       4.03215892       0.61321823      -0.53399004       0.31678757 
O       6.15736405       9.12573296       6.71884386       1.51635436       2.36699686       1.62085858 
O       6.15990619       6.18735756       8.77311360       1.49144354      -0.73260098       0.78833290 
O       3.90669126       6.12789814       9.85215506      -3.36089359       0.77005254      -0.63148138 
O       6.03165892       5.87796863       1.02064687       0.09222011       0.75324618       0.24081192 
O       8.39471012       6.79690821       1.79951426       2.52697369      -1.91731517      -0.31600027 
O       9.29305505       1.84577246       0.81403895      -0.08133784      -0.21932115       1.09223706 
O       9.08185195       9.12162686       3.73527919       0.45396589       1.99316282       1.53979888 
O       9.10206396       9.53028989       1.30601127       1.45818981      -1.18870665      -0.67381614 
O       6.49621272       3.35358912       3.05270869       2.64788831       1.31557738       1.66912997 
O       6.64196994       6.02127519       3.79486148      -0.66860345       0.24899332      -0.28032687 
O       6.76218450       8.79133222       4.40075483      -2.68841329       1.76275634      -1.86176723 
O       8.38701789       1.24208979       6.60087671      -1.33986466       1.80136067      -2.07790966 
O       1.26662737       6.58793023       3.40683298       0.16428169      -0.42438309       1.98964278 
O       9.32224444       3.87009912       3.71188294      -0.73210498       2.15220705       1.09234265 
O       3.32095069       6.93406274       1.64828154      -0.42984826      -2.34754971       0.99619517 
O       3.36993659       8.62092500       8.60451505      -0.33519698       0.10498404       0.78128088 
O       3.63300913       0.71793433       8.71167847      -0.02903664       2.14256255      -2.40555219 
O       6.44313203       6.55590209       6.36446775      -1.88804787       2.29108278       0.52976533 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008764113873405985 0.008012284184742487 -0.0012681023949691129 0.008012284184742487 -0.017632954983386063 0.006433003924906605 -0.0012681023949691129 0.006433003924906605 -0.028949705830085225" pbc="T T T" energy=-930.93449437 free_energy=-930.93462858 config_type=crystal 
Hf       0.13647663      10.32664819      10.42948373      -1.44062999      -0.55973167       1.13785172 
Hf       5.11701781       2.46841716       2.88308602      -0.48289311      -5.09511855      -3.73878322 
Hf      10.00306343       2.77740126       8.08256764       0.34483444      -0.01637944      -1.21933114 
Hf       0.04572180       9.97662874       5.05409470      -2.46982670      -0.21957805       0.60938864 
Hf       7.28909435       5.35078771       7.58107674       2.78873956      -2.40203377      -1.43181606 
Hf       8.06820498       7.93963378       5.32864615      -0.84017208       2.29530947      -2.81219198 
Hf       7.72821131       2.73453380      10.31623631      -2.38432816      -5.44397986       5.77744570 
Hf       7.65644123      10.26404064       2.49394548       0.99687009       0.68005716       1.71606507 
Hf       2.09306710       2.16427515       5.65263407      -3.18862335      -1.85907697      -2.47274621 
Hf       5.26918076       2.51517711       7.81149651      -1.08658171      -3.86866087      -3.06442006 
Hf       4.95200173      10.19217479       4.80602074       2.89028454      -0.61681682       2.45429381 
Hf       2.25297159       2.67090726      10.00007104       1.98036436       0.44591146       3.67179580 
Hf       2.24384401       0.24725131       2.86751137       2.87294578      -1.12104337      -3.54632794 
Hf      10.28947968       2.72694674       2.43882304       4.73565069       3.59463852      -1.31412582 
Hf       2.60310187      10.43895826       8.12156753      -1.23359923      -1.66469929      -1.37336114 
Hf       7.49732914      10.41721640       7.88170326       1.40776999       0.05719348      -0.81034391 
Hf       2.84574596       4.95197086       7.18491987      -4.48135808      -0.34969508       0.61623249 
Hf       5.31851769       5.06966767       4.97739671      -1.07382267      -0.36389912      -0.35579480 
Hf       9.69180199       5.13560170       5.15913850       3.73078268       1.07325832      -0.89757817 
Hf       2.66008688       7.68757482       5.18524215      -2.35374488       0.60710174      -1.75065300 
Hf       5.13271114       5.18803453       9.98917844      -0.52263408      -2.65476012       4.33692719 
Hf       4.97801254       7.90998649       1.99495621      -2.30920631       0.70045684       3.08681045 
Hf       5.16012651       7.95148759       7.66003228       3.03532387       0.67725386       3.57270253 
Hf       7.99531041       7.98041062      10.23567169      -1.38861783       0.47027648       0.88232239 
Hf       7.34092455       5.05825103       2.53454481       1.84994282       1.90205069      -1.69498742 
Hf       2.44573345       4.85259931       2.41346794       0.12747273       1.74307024       0.55520833 
Hf      10.42779899       7.61172104       2.28262264       1.45796687       1.73649358       2.39156724 
Hf      10.16688939       5.25058892      10.42657444       1.02759072      -0.41901176      -0.23760051 
Hf       7.67353253       2.19481646       4.82266922       2.93735762      -2.36672058       4.20854218 
Hf       0.08068708       7.56482105       7.86086223       2.85665034       1.56167395      -2.35023250 
Hf       4.87364202      10.44767786       0.18673961      -1.05065759       0.02786386      -1.71190465 
Hf       2.76223019       7.40436625       9.94321539      -2.67375359       1.05899774       0.35948362 
O       1.07310085       9.52174299       1.61200046      -0.22553233       0.42684179       0.68433368 
O       0.93115165       6.73333704       0.69922097      -0.39268053       1.91889601       0.20962338 
O       3.76405454       1.21944983       7.10576913      -1.94646618      -1.53729398       0.54637701 
O       1.07841684       1.13907014       4.10535690      -2.11917988       1.92611388      -1.68966007 
O       3.38517517       4.13250214       0.71248311       1.05225931      -1.72894790       0.57929736 
O       0.92638681       1.22079400       9.05925354       2.04622415      -0.83713250      -1.36022706 
O       4.17556784       3.96684114       3.51092101      -1.39801923       2.13406443       0.51573535 
O       6.32825815       3.88755225       1.19944096      -0.46440038       2.31731151      -0.59932394 
O       3.75751222       1.38859524       4.34211543      -0.20048635      -0.83259749      -0.96196351 
O       1.41113713       3.79571929       3.79859760      -0.47680648      -0.66283650      -0.59526650 
O       1.92912967       1.60248459       1.30153037      -2.51028277       0.93848751       0.20459990 
O       2.10211178       6.79157443       3.09534631       0.19217304      -0.76345812       0.87054556 
O       4.19909910       0.66846070       1.87779139      -0.54700981       2.69310714       1.83507676 
O       8.82254933       0.60843181       5.07834666       0.04332141       1.22298289       0.59415278 
O       1.78689087       8.45720360       7.07499023       0.05169490      -0.74036238      -1.68771014 
O       6.37872502       0.81698979       3.90265979       0.07530737       3.53132512      -1.30088026 
O       6.34005565       8.67228662       9.12606013       2.79708438       1.58536494       0.68271655 
O       1.45975430       0.36280747       6.20494696       0.33590482       0.14072251       4.16341385 
O       3.80832447       3.57574824       8.96135030      -0.15197321       1.11698215      -2.55055071 
O       1.24132900       8.72116398       9.45027726      -1.61620315       2.21464663      -0.43588821 
O       0.95596240       4.50072295       1.14035550       2.19464451      -2.53410463       3.69963769 
O       4.31361879       8.72856662       6.29847836      -4.25681103       3.05083170      -4.38823706 
O       8.96330748       9.61487291       9.24367803      -0.90883493      -1.53389523       0.44078123 
O       1.71172650       6.12881058       8.67217453      -0.10636985       0.47259252      -0.77093764 
O       1.75986819       9.25862764       4.20945519      -0.77126331      -0.99636120       0.04175783 
O       3.68732515       6.10141039       5.77592360       2.98314865      -1.34866005       0.67313111 
O       3.63947337       8.96564500       0.89220660       0.21027297      -0.73335956       0.51365010 
O       4.13398426       8.78700999       3.82296658      -1.80585390      -0.69094633      -1.19569703 
O       0.83172034       3.80765443       9.38182182      -2.90275200       0.60607131      -0.83505432 
O       9.20095396       4.02555841       1.19023960      -4.31516406      -1.21540094       1.73642530 
O       6.12178253       1.27729746       6.45297015       1.79940799       0.27858419      -0.18751131 
O       6.24128602       3.79418725       8.77820551       0.36090889       2.43203373       1.60552983 
O       3.37801022       3.31835905       6.08032769       7.31966800       6.40240137       1.80129900 
O       1.18247494       3.53029196       7.02177839      -0.47695017      -2.64665980      -0.20313345 
O       8.40998021       4.01937864       9.23610239       6.18733442       3.65078885      -4.96639949 
O       9.06086973       3.63813945       6.32570461      -0.06571460       0.30102341       3.28411412 
O       6.62225842       3.86232441       6.19288968      -2.11747046       1.31284308       1.37317157 
O       6.48061766       1.18518118       9.13098312      -0.96389183       0.79061612       0.15445397 
O       6.83524936       1.56779981       1.31579046      -0.52251291      -0.53570590       0.99593829 
O       9.46164753       1.62532163       0.22739756      -0.31726075       0.15863099      -1.15665146 
O       6.05500671       9.73383728       1.42990271       3.36166230      -4.50860827       1.41017531 
O       9.39664154       8.91887008       6.59763323       1.19396948      -0.36497758       0.05444095 
O       1.37855501       5.64730646       5.91205485      -1.26803950       1.54609043       0.61991548 
O       8.99665666       6.48889496       6.57769355      -1.03797449      -1.80222363       2.68824423 
O       9.50463033       6.94437153       9.39552490      -1.49632267      -0.22483789       0.21090240 
O       7.78503116       6.10246831       4.27228777       0.11142308      -2.09671131       0.72545532 
O       6.72865195       9.23959171       6.48097037       0.29924183      -1.05760771       0.27041703 
O       6.97288732       6.03444827       9.31254039      -0.16254716       1.78761001       1.09927972 
O       4.49938264       6.26247003       8.55790843      -2.76834480      -0.14244965      -1.10818237 
O       6.31458333       7.04238603       0.98366413       2.55862649      -1.65345186      -0.54365121 
O       8.83244879       6.45211642       1.90047395      -0.15175402      -0.53049631      -1.38593190 
O       9.13533999       1.45613771       2.75292197      -4.68514905      -5.20642483       0.26394144 
O       8.98406049       9.12451532       3.59670963       1.92672857      -1.38609923       1.64230360 
O       9.19173899       9.12725527       1.26732882      -1.98853308      -0.87506874      -2.35998417 
O       6.53613384       3.42387352       3.81642385       0.63071387       3.57750296      -1.57787120 
O       5.24970850       6.37291377       3.64433754       1.15474618       0.20973072      -2.47757103 
O       6.58357440       9.02535509       3.90353120       0.30960111      -1.43514107      -0.30110619 
O       9.09568450       1.06648610       7.64097658      -0.34326568       1.98342435       0.35190187 
O      10.24138634       7.16385350       4.47246912      -0.67342190      -0.44203329      -0.85632628 
O       9.28009978       3.38753760       4.08425568      -1.07802766       2.51195579      -1.29462045 
O       3.75436786       6.45968306       0.82497739       2.22923661      -0.70011884       0.86127072 
O       3.90777776       8.87271037       9.06015395      -0.98803944       1.52507488      -2.12405580 
O       3.53203417       1.02732870       9.65157285      -1.21235613       0.74596213      -1.20924162 
O       6.22711636       6.74418327       6.57076168       1.96591811      -3.35990012      -1.75905628 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007730203224296107 0.0050150327471311954 -0.009821194277659005 0.0050150327471311954 -0.017125226522341726 0.002867722097770858 -0.009821194277659005 0.002867722097770858 -0.030920683903915322" pbc="T T T" energy=-930.48888076 free_energy=-930.48895318 config_type=crystal 
Hf       0.21769235      10.24939800      10.46271528      -5.64249341       2.34280367      -3.40789127 
Hf       5.09462077       2.30028457       2.81092680       1.29879497       2.62107506      -1.57674291 
Hf      10.02966254       2.80465870       7.95169011      -0.41404666       1.99405885      -1.07937271 
Hf       0.02405143       9.92526021       5.01904287      -2.27614077       1.51576606       2.44577055 
Hf       7.31645907       5.40620718       7.66660286       3.12095527      -7.15610397       3.40824211 
Hf       8.11315856       7.90911602       5.30723639      -1.52366672      -0.05197223      -0.91379059 
Hf       7.81272022       2.72798426      10.46515872      -0.45174714       0.90806465       1.83534278 
Hf       7.75117980      10.24415716       2.53289984       0.73026791      -1.52283734       1.65646766 
Hf       2.15004865       2.08752116       5.65696006       2.92379534       0.68102613      -0.85489571 
Hf       5.31728289       2.46876966       7.87631777      -0.89554802       0.83311815      -3.08894414 
Hf       5.03026326      10.15735887       4.82602804       2.42757798      -1.58894505       2.00267429 
Hf       2.12194439       2.63787562      10.05100773       2.20817765       3.37648228       1.11506735 
Hf       2.14924882       0.34563202       2.80669804       4.64363724       0.95910042       2.91920930 
Hf      10.35339948       2.65167540       2.41553407      -2.26627229       0.18520506       0.36430861 
Hf       2.64010931      10.39040493       8.15236307      -6.06723616       3.89752894      -3.96169346 
Hf       7.46698469      10.44773229       7.95573959       2.36627825       0.75128600       0.08910172 
Hf       2.75591007       4.99574919       7.13711927      -1.40986719      -1.47955600      -1.41487424 
Hf       5.27183216       5.06579853       4.95836738       0.39149083      -0.43032928      -2.03675514 
Hf       9.69395625       5.12835699       5.15731194       1.49415235      -0.79602230      -0.12251057 
Hf       2.65229793       7.71265456       5.19331442      -2.32948273      -0.43986625      -2.87369336 
Hf       5.06587482       5.08836711      10.04685694      -1.18248041       0.52672376       4.68399558 
Hf       5.02874378       7.95521921       2.01394587       0.58367086      -5.04006397       3.00205369 
Hf       5.12502696       8.02577699       7.70299248       2.01932965       2.60794156      -1.00837870 
Hf       7.93754169       8.00645942      10.16678839      -3.27639381      -0.46968379       2.29297920 
Hf       7.35860164       5.11996718       2.48103762       0.02979116       1.94175182      -0.53117222 
Hf       2.44163792       4.77756545       2.41584293       1.96096870       4.39296819       1.18752575 
Hf      10.43316710       7.65623609       2.24138582      -0.82173368       0.55642886       3.42336792 
Hf      10.19276759       5.31668998      10.37355048      -0.56384473      -0.25817492       1.29701377 
Hf       7.66828164       2.10424793       4.80758586       1.15359863       2.32492471       1.55279122 
Hf       0.24359578       7.65522505       7.82494453      -4.44987565      -2.10832500      -0.88800472 
Hf       4.83739988       0.02948967       0.23031846       2.36077162      -0.09929246       0.29632721 
Hf       2.68081822       7.47272425       9.85441387      -0.04212312      -3.19225562       3.31703618 
O       1.24815914       9.99530379       1.49965983      -2.11657698      -6.76715774      -0.09471925 
O       0.91257603       6.88971473       0.78277202       1.44405872      -1.85593367      -2.91266824 
O       3.59367768       1.26570823       7.25926830       1.44251011       1.72816519      -2.91629755 
O       0.86447547       1.33737219       4.10989787       1.45304901      -0.17828066      -1.50370898 
O       3.58384207       4.02560666       0.66320793      -0.03128811      -1.11587052       0.32119990 
O       1.07045049       1.27921727       8.96135836      -0.00132323      -2.32894079       0.43517580 
O       4.10076203       4.07447962       3.21203921      -0.31926850      -0.89041347       0.65549875 
O       6.30582794       4.05497073       1.13624050       1.19929590      -0.60619645      -0.22005758 
O       3.96010478       1.35529493       4.21310151      -2.55070103      -0.78366239       1.44494757 
O       1.29903418       4.11703153       4.12788142      -1.02864243      -0.96630452      -1.59682640 
O       1.91647813       1.52512681       1.19392276      -1.36636608       2.61465595       1.77388342 
O       2.12099793       6.92262643       2.87980225      -0.95162443      -1.81102400       1.73305480 
O       4.07254516       0.74122675       1.88563235       0.56671650      -0.76552126      -0.41018598 
O       8.94286678       0.68682522       4.99469514      -0.66309400      -0.50865971       3.20222541 
O       1.73189947       8.36211262       6.94985362       1.08855996       1.90904954      -1.03433266 
O       6.37000646       0.97050268       3.78541229      -0.76885448      -1.11472956       1.58676966 
O       6.42958782       9.06366776       8.99359729      -3.15574148      -0.65168705       3.19269589 
O       1.34959451       0.51553581       6.50908751      -0.77890179      -1.06070948      -1.23982779 
O       3.74365738       3.50374717       8.81637323      -1.02430088       1.47147746      -2.11068645 
O       0.87382660       8.64298660       9.51174797       3.44094093       1.66709358      -0.79074008 
O       1.18176701       4.03868250       1.15214379      -1.73390439      -0.78072189      -0.02448321 
O       3.90049527       8.89383985       6.21555340       2.89279513       1.31283946       2.46290802 
O       8.90999935       9.39822393       9.08366752      -0.45111438       2.71258206      -1.12929668 
O       1.68476640       6.06453880       8.50906623      -0.39641526       1.84448600       2.64811279 
O       1.46874822       9.07206741       4.04199945       0.66245449       1.01760366      -0.95659061 
O       3.51563384       5.99449805       5.51508005       0.89264534       1.10182963       1.73638983 
O       3.90214422       8.81556848       0.65357400      -1.33845373       2.64041201      -0.93914122 
O       4.03442129       8.65995367       3.98686225       0.26754433       2.23662287      -2.88005945 
O       0.60992534       3.77750842       9.31673546       1.54488226       1.02476893       1.02167744 
O       9.24531212       3.98807068       1.36448111      -2.76125134       0.81926125      -0.63574693 
O       6.11403587       1.00642613       6.49124965       0.42040372       0.93573875       0.43738363 
O       6.17037898       3.84609332       9.07448594       2.00456538      -0.57959768      -1.80740972 
O       3.93874337       3.74812572       5.88843107      -2.80038023      -1.78850016       2.01327156 
O       1.31182691       3.18589736       6.95627746       0.41220468       2.06254587      -0.20344450 
O       8.78394486       4.22184267       9.02507857      -0.27166629      -1.14887370       1.28885625 
O       8.80442062       3.74387058       6.44916568       1.48203719       0.61822203       0.03135299 
O       6.22944655       3.74303046       6.27143778       1.36927851       0.24605142       2.98714681 
O       6.59130589       1.50855484       9.36624058      -0.79895952      -2.28033066      -1.02843583 
O       6.85000377       1.45260494       1.67690482      -1.27790463       1.69321292      -3.94869337 
O       9.67317707       1.73362671       0.40057842      -0.95547220      -0.73005573      -0.30552530 
O       6.48281829       9.21656911       1.42257888      -1.77313637       1.82679245      -1.90815721 
O       9.47454545       8.98604006       6.58350993       0.78666722      -0.93056247      -1.80166483 
O       1.11325128       6.03498424       6.11161064      -1.31636158      -0.66836214       0.22086509 
O       8.76430294       6.51303714       7.09001509       3.06426712       0.98531255      -2.27988523 
O       9.54099378       7.26424561       9.60605461       2.27084614      -5.36255260      -1.65534314 
O       7.42340050       5.85362833       4.50814798       2.32136923       0.27265087       0.84645769 
O       6.74395332       9.11446683       6.78585151      -0.34631954      -2.31386109      -3.70950074 
O       7.06331675       6.14068344       9.56887124      -0.15162699       0.03569229      -3.22237421 
O       4.35432226       6.45371932       8.66254782      -1.76580985      -0.75611496      -0.46803590 
O       6.35002471       6.87767776       1.02712628       0.11450025      -1.31448545       2.01737920 
O       8.87249686       6.48052399       1.59834511       0.75465405      -0.53772634       0.49275971 
O       8.90124971       1.29661209       2.96806727       1.86417978       2.00774617      -2.90102425 
O       9.21282995       9.02790507       3.43016842       0.61259092       1.35454697       1.72147578 
O       9.11231592       9.14751406       0.98597926       1.59679312       1.00682787       1.56586419 
O       6.34933446       3.65718333       3.80578066       1.21323508      -1.08578723      -1.07917351 
O       5.30998136       6.60156538       3.59505942       0.09391501      -1.67207560      -0.98560823 
O       6.71486472       8.89137182       4.10281634      -0.05527085       1.26683977       0.21858168 
O       8.98218065       1.29125424       7.77624143      -1.55128074      -1.25319199       0.38993603 
O       9.78090619       7.03249662       4.30955759       0.04735859      -2.06268409       0.78825013 
O       8.95213554       3.47814873       3.88749070       1.45841559       2.32603146      -0.12711118 
O       3.82671850       6.49255394       0.82233404      -0.95387888      -0.20067048      -0.88441931 
O       3.49889085       8.91668265       8.76089033       3.78935752      -3.23000424       1.32861947 
O       3.56725220       1.05859616       9.58150687       1.04772921      -0.89191307       1.84608256 
O       6.29326651       6.64864256       6.88512342      -4.35390960       2.45224686      -3.81568498 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04694916342147139 0.00520944318600308 0.004382112239594603 0.00520944318600308 -0.04666262377032433 0.011082672671339982 0.004382112239594603 0.011082672671339982 -0.04204204914459828" pbc="T T T" energy=-922.30816911 free_energy=-922.30834187 config_type=crystal 
Hf      10.34641570      10.05616150      10.38728056      -2.54077576       5.72172093      -0.50395452 
Hf       5.28512214       2.33689628       2.06361207       0.16178914      -0.70790916       2.18446767 
Hf      10.11932271       2.33835495       7.66455232       1.85540163       0.91684177      -1.19582604 
Hf      10.03164610       0.21679729       4.75454452       1.31336483      -0.73204226       3.12201944 
Hf       7.67119428       4.68504173       7.67482636       0.18146783       1.93048140      -4.84071923 
Hf       7.70508938       7.74123210       5.54393452      -1.14270726      -1.08563423      -1.73347752 
Hf       7.92805586       2.59135241      10.14198067      -1.98992750      -1.28405593       2.00872576 
Hf       7.78598651      10.15924143       2.64900830      -0.97182087       1.35099397      -0.83962012 
Hf       2.28195166       2.73828059       5.28525370       1.22722535       0.33663266      -0.18111152 
Hf       4.70350254       2.55756438       8.16315278       1.07778314      -0.56070150      -2.63613738 
Hf       5.02688425      10.45675959       5.38840553       3.23668354       0.43057289      -1.74546748 
Hf       2.51966522       2.60115474       0.02463388      -5.63262454       1.34558217      -0.38612458 
Hf       2.91773186      10.25673345       2.40221949      -2.84371158       0.39309806       2.41059849 
Hf      10.43029549       2.71966562       2.50009071      -2.39625366       0.34049736      -2.57514714 
Hf       2.64030063      10.20468347       7.73093985      -2.86911884       1.48853567      -0.31780416 
Hf       7.61853296      10.30235216       7.53763908      -1.73100243       0.96366867       2.47473727 
Hf       2.13565689       4.97896873       7.66087617      -0.19847169       0.39100129       0.73447938 
Hf       5.25430347       4.92419681       4.75232035      -2.19442227       3.28710350       3.39779099 
Hf       9.85822336       5.30456593       4.98637043       2.49798884       0.88715399       1.83559481 
Hf       2.68003253       7.74816962       5.07767735      -5.77994430       6.02612103       1.60324217 
Hf       4.96575756       4.94863831       0.25868700      -0.41948804       3.57139080       2.19660909 
Hf       5.25967525       7.91617505       2.37155740       1.73987524      -3.02179887       2.94268023 
Hf       5.47140711       7.76777229       8.04977431       4.42162874       3.80632052      -3.26442149 
Hf       8.25047835       7.53072270      10.31530063      -2.42557742       0.68171987      -4.55549811 
Hf       7.80892235       5.26231744       1.85821227      -5.15776382      -4.58187065       8.00769030 
Hf       2.27505317       5.22061236       2.79960949      -2.29405200      -0.13832508      -1.00102758 
Hf      10.31334764       7.84152572       2.58484589       2.86332732       0.82544112       0.86236388 
Hf      10.26188868       5.06493904       0.02048403       4.30637643       1.61142293      -2.12356934 
Hf       7.26431772       2.43707675       4.84792835       2.05293559       1.07798425      -0.80808231 
Hf      10.41993353       8.37081830       7.44671396       1.48687308      -3.67984957       2.77334693 
Hf       4.98840809      10.30528898      10.34748545       3.33912329      -0.85146590      -1.88478908 
Hf       2.53042050       7.60914866       0.01959869      -1.18862404      -1.55309805      -2.16413891 
O       1.26195872       9.09893614       0.63605819       3.55083104      -3.66349224       3.28448176 
O       0.74448833       6.49964961       1.29959758      -1.04953966       3.38963003       1.22416215 
O       4.58296634       1.57149124       6.53336867      -0.00529782      -1.75696449      -2.43218530 
O       0.49661847       1.72851303       4.01434178       1.73954747       0.22500307       5.89927899 
O       3.68589400       3.88803003       1.51428415       3.34164614      -1.42217062      -0.51015602 
O       1.19547783       1.11272525      10.17677053      -1.13393733       1.63245218       0.33772880 
O       3.38417784       4.17258549       4.00493643      -1.41946472      -2.16060624      -1.23761729 
O       6.35906322       3.69070961       1.14433548      -0.52046945       1.30428068      -1.17448717 
O       3.70376431       0.65098885       3.98551326      -1.20472368       2.21277932      -1.02844183 
O       0.14043066       4.67599872       3.41152257       4.06937791      -3.86428705      -4.06120460 
O       1.74500838       1.97336266       2.27728457       2.88596411      -0.05113414      -2.16320133 
O       1.26937684       6.48354987       4.17960664      -0.07087332       1.58419941      -1.56936478 
O       3.59517194       1.24497008       0.84083075       5.36071652      -2.99190925       2.66678348 
O       9.15143983       0.82800693       6.55858970       4.59080137       0.48133318      -1.40074338 
O       0.95086076       9.32040250       6.26022440       2.14257030       3.04229075      -3.35533123 
O       6.27303566       0.42949988       3.62283986      -3.01059512       2.98033682       0.35144254 
O       6.50598658       9.23010525       9.26510014      -1.23969790      -0.31606408       0.50332553 
O       2.02871745       1.49503586       6.76720577      -2.62027287       0.76666266      -2.00538089 
O       3.95345267       3.94891662       9.47782493      -1.25412761      -1.00740972      -2.47523954 
O       0.97178123       9.75389900       8.67073365      -0.25037751      -2.04602252      -0.43489009 
O       1.42299502       4.36437798       0.92147732      -1.05086395      -3.59419120       1.12257115 
O       3.64969110       9.40586394       6.30857824       0.00012468      -2.97680102      -0.88816824 
O       8.85951585       9.66068619       9.03781541       2.09511733      -1.88356271       2.64747547 
O       1.67737339       5.89115762       9.41338966       1.28296232       0.64632213       0.00396696 
O       1.38509837       9.18397296       3.41092547      -0.56336291       0.31640463      -0.60022107 
O       3.57590827       6.34077594       4.69450024       5.47531535      -5.01948152      -1.28819683 
O       4.01923745       9.02118870       1.06736621      -4.72439369      -2.23125624       0.95481773 
O       3.95621826       8.69378828       3.76898736       0.00558517       0.24346460      -1.78200453 
O       1.38009668       3.30256022       8.69863266       1.27457888       0.50815677      -0.72163520 
O       9.03418594       3.51564671       0.96030933       2.12183921       0.12140360       0.88210874 
O       7.03644217       0.78789229       5.84953731      -2.60755512       0.09215041       1.35279389 
O       6.67358205       3.78728615       8.99675473      -1.60078026      -1.15427102       1.44131653 
O       3.69055649       3.99214768       6.19368187      -2.28262562       0.17165507       4.03513658 
O       0.87911852       4.13718619       6.24902557      -0.58076714      -0.71384004      -0.93444748 
O       9.65370534       3.93797526       8.89392212      -3.84697194       0.23126350      -1.99056224 
O       8.52610301       3.44554630       6.19152500       3.25642513      -1.01579694       2.97038486 
O       6.17218953       3.77469061       6.35537911       0.55612573       0.83316082       0.82882653 
O       5.71244704       1.10875490       9.00800548       2.48386701       2.08335438      -0.34492430 
O       6.91317953       1.34139801       1.14725000      -0.75005139       0.29263837      -0.87605007 
O       9.80400551       0.93107179       1.60887829      -1.36436010      -1.72777633      -1.28453532 
O       6.04583947       9.44929773       1.68343856       2.31337480       1.70460057      -2.18704853 
O       8.66905560       8.82771869       6.94535504      -1.99052842      -0.92235138      -2.58742398 
O       1.50321687       6.88365616       7.08254913       1.44830790      -0.71487009      -0.76466504 
O       9.85626346       7.36766401       5.46047045      -1.14278231      -1.47660819      -0.05646207 
O      10.00873684       7.09115538       9.45291704      -1.45089086       0.10272873       0.56053605 
O       8.10462066       5.63888462       5.60852709      -3.89276680       1.94387273       1.56835129 
O       6.28388984       8.97548197       6.46889552      -0.08642078       3.22975936       0.71386512 
O       7.32742388       6.95904996       8.65339272      -0.60023531      -2.20385226      -2.40771029 
O       4.58394996       6.86367483       9.26255769      -5.21231500      -5.53455395       5.52605255 
O       6.23304996       6.57666357       0.83107520       0.46932325       0.61104576       0.44430730 
O       8.19651557       5.39793689       0.09673427       2.00275815       3.09834111      -4.76459477 
O       8.56700356       1.15520055       3.82601151       0.31482224       1.20443137       0.33394526 
O       8.86856953       9.29364712       4.08609240       1.52801324      -2.84978794      -1.00326967 
O       8.75309113       8.78873712       1.29346554       2.20671575       0.14801850       1.10644158 
O       5.73867387       3.35236845       3.80710212       0.52119479      -3.98538465      -2.04818260 
O       6.14592638       5.79221152       3.14565315      -0.70904908       0.38369273       0.36070463 
O       6.69163269       8.34710451       3.92235320      -0.60940453      -0.58305353      -1.83045658 
O       8.68378228       1.47871539       8.70086353      -0.67164441       1.53132494       1.72318115 
O       9.07199310       6.38061260       2.67948588      -0.37448282       1.19588054       1.30024656 
O       8.51388529       3.58076961       3.41460466      -1.66641756       0.97377954       0.66822127 
O       3.14570956       6.28180602       1.25040267       3.35827912       0.81613484       1.32782043 
O       3.86875997       9.29694712       9.03588063      -0.49962384      -1.94299035       0.03593276 
O       3.29494899       1.23014503       8.73568824       1.35639734       3.58225700       2.73405771 
O       5.73897708       6.80190248       6.31758179       0.25024854      -3.06815780      -0.55047144 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02119717039875558 -0.008679863062198543 0.011702007922596196 -0.008679863062198543 -0.0018564522608717374 0.000564741900645265 0.011702007922596196 0.000564741900645265 -0.02796946158634148" pbc="T T T" energy=-927.70910321 free_energy=-927.70958712 config_type=crystal 
Hf       0.16667560       0.04355708      10.34281031      -0.28516902      -1.38715147      -1.36144356 
Hf       5.34182425       2.14440758       2.24701517      -4.34759209       1.92094375       1.69664530 
Hf       9.98652631       3.13894138       7.81880998       4.01614209      -2.60642122      -3.93852253 
Hf      10.14078240      10.44936732       5.54880926       2.68875404       3.92105511       0.05142574 
Hf       7.43857021       5.14583157       7.45829869      -0.93478531      -0.69503675      -0.03025568 
Hf       7.99863709       8.03691743       4.88617593      -4.84294445      -4.24724870       9.25173403 
Hf       7.73747651       2.66474716       0.03979689      -0.14381633       0.09153681      -0.44995957 
Hf       7.89350924      10.15778139       2.20742708      -1.85315455      -1.61960049      -0.45771572 
Hf       2.33229115       2.46081441       5.12889548      -0.70416119       0.36796270      -0.01493609 
Hf       4.87991662       2.35819782       7.90343434      -0.00743760       0.37211342      -1.62503821 
Hf       4.85008198      10.16852578       5.01071628       3.43601521       0.38990673       0.13932587 
Hf       2.43694048       2.56553261       0.05685229       1.73584982       0.42415037      -0.39517854 
Hf       2.43849702      10.42302253       2.67506548       3.31056906      -0.33131522      -3.28983165 
Hf      10.26993468       2.06506436       2.52099736      -2.28778809       4.44886313       2.23713468 
Hf       2.68783770       0.08872355       7.93941221      -3.07200483      -3.83550042       3.34629279 
Hf       7.98749331       0.25126813       7.93081894      -2.84382277       0.10293799      -1.01603825 
Hf       2.57040452       4.80815449       7.85251397       0.99066815       2.91432213       1.26413546 
Hf       4.59364323       5.31807989       5.06391534       0.70868323      -1.58397818      -2.24890809 
Hf       9.82078985       5.03388771       4.67016790       4.96852412       5.24883233       2.33734127 
Hf       2.22887232       7.84355543       5.17752940      -2.87090259      -1.09696207      -0.96768517 
Hf       5.02680785       5.25663765      10.40193094      -0.23372144       0.29751065       1.35181930 
Hf       5.24805358       7.76275291       2.39274371      -1.18528522      -0.87610893      -2.03815744 
Hf       5.13647353       7.43817072       7.42664053      -1.12894376       5.06648253       1.43358573 
Hf       8.26089745       7.64391559       9.67955549      -0.85949231       0.86338857       0.26703196 
Hf       7.37645332       5.14381986       2.79009132      -0.74354515       0.11896113      -4.95673519 
Hf       2.49010637       4.81964899       2.54098969      -2.01662382       3.38040482      -3.72780067 
Hf      10.43704452       8.03371142       2.44926360       1.79383655      -5.58153661       1.23343751 
Hf      10.26464925       5.13157870      10.21791934       0.00154719      -2.62574671       1.25618548 
Hf       7.40621678       2.53631402       4.73905172       1.54937028      -4.81399538       6.25014145 
Hf       0.65826212       7.75122586       7.98821275      -2.35111815      -1.14657082      -0.34743732 
Hf       5.28084534      10.06739539      10.25813477      -3.07677391       1.33867234      -1.45611939 
Hf       2.42892976       7.69899994       0.31763923       0.09819566      -3.57471375      -0.58585120 
O       0.97388985       9.19115131       1.25112882       1.66923296       0.46829580      -0.89545370 
O       1.53133254       6.62324591       1.82062783      -0.92770690       1.39884229      -0.93528354 
O       3.79263941       0.91501015       6.83675419       4.43577523       1.87128201      -4.59005605 
O       1.13118166       0.58631747       3.90250635      -2.54584288       5.60456371       2.89069993 
O       3.82749813       3.54290373       1.48348180      -0.61214765      -1.59118490       0.39249225 
O       1.67339760       0.99808886       9.47157692      -4.96824762       0.06079684       0.01061984 
O       3.31375445       4.09364135       4.09266643       1.55215007       0.07603462       1.42896053 
O       6.25878456       3.95331159       1.26455067       2.13117414      -2.96501187      -1.24405073 
O       3.84539847       1.46184880       4.22576352      -1.16563612      -1.49772035      -1.60307156 
O       0.86010928       3.70848634       3.69552605       1.19870094      -1.80726791       0.34875263 
O       1.05340942       1.12287454       1.42943529       1.90909412       0.98848809      -1.41043489 
O       0.73196720       6.37892911       3.99173730       1.04160076       0.25456638       2.13344492 
O       3.75756382       0.73909133       1.16692196      -0.13658322       2.22136112       2.39593584 
O       9.06708738       1.51558468       6.62530754       2.70409666       0.50112321       0.04947519 
O       1.35247701       9.38835964       6.50361149      -2.63265792       0.35384893       0.51971247 
O       6.35049527       1.04960684       3.88944150      -0.30708161      -0.90653334      -2.03580839 
O       6.94233732       9.58344239       9.25493328       1.00630671      -0.92783130      -1.75914761 
O       1.19549646       1.78389032       6.68459930      -0.39962768      -1.07989888      -0.76570888 
O       3.64307040       4.02374210       9.31366247       0.84516141      -3.20727092       0.41176168 
O       1.74838572       9.08279548       9.42174431      -1.92117642      -1.65563902      -2.16809913 
O       1.36994457       4.04469753       0.90122732       0.07996606      -0.06304955       1.52840538 
O       3.70782551       8.89592974       5.83277401      -0.49663035      -0.35367103       0.09672257 
O       9.55067941       9.16377016       8.50434912       0.53483038      -0.94938059       1.83909799 
O       1.34001825       6.19035310       9.80506888       0.67217246       2.08942095      -3.11786381 
O       1.42068743       9.00511325       3.56749909      -0.73174855      -4.61440198       2.11858211 
O       3.47604041       6.85543835       4.06189663       1.72233447      -2.08958582       0.76428610 
O       3.82700842       8.87316806       0.72349052       2.92849271      -0.07657056       0.76621939 
O       4.13704552       9.36086043       3.20121140      -1.03436698       0.89001404       0.87031401 
O       1.15504083       3.55792043       8.95310335      -0.70010050      -0.77710523       1.60138915 
O       9.36152231       3.61506044       1.33775138      -1.63099464      -0.93366172      -1.74078443 
O       6.70718106       1.14258176       6.60132184      -1.35267983      -2.13838672      -1.96672671 
O       6.32322255       4.55996645       9.06698461       0.43308227      -0.78578242      -0.67790843 
O       3.70427464       3.22045361       6.25224466      -0.53052546       3.00100875       2.75823790 
O       1.05349106       4.53200945       6.88926814      -3.61305977      -1.03927931      -3.81747927 
O       8.74500463       3.84347971       9.11538921      -0.53651184       0.16357281       1.37387518 
O       9.00020847       4.32988588       6.58472317       0.05651806      -0.88248909      -2.13186313 
O       6.14439842       3.34563899       6.69041965       2.58955720       4.67627064      -2.50797166 
O       6.42675347       1.78922274       8.81249749       3.23585165      -0.59889114       4.09225901 
O       6.23269704       1.16207966       0.94581898       3.55783535      -0.50764178      -1.24666422 
O       8.99515047       1.04644898       1.19139580      -0.55832372      -0.56804705       2.14619381 
O       6.44569593       9.07440828       0.93788885       0.37968085      -1.08825475       4.44767017 
O       8.62634827       9.56764449       6.19903659      -0.90372385      -1.40300294      -0.96986574 
O       2.22778154       6.97341000       7.09691535      -2.13750870       0.48242060      -0.30522898 
O       9.61120984       6.96456795       6.20355799      -0.18597440       1.37449498      -2.34484503 
O       9.49538480       6.26808860       8.48090022       0.00063908       1.13500933       1.46399031 
O       7.00766640       6.20372838       5.51622180       0.09667034      -2.25453809       1.88198766 
O       6.13746624       8.55395325       6.01955110       0.07143775       0.06335012       0.98658877 
O       6.80874392       6.89988338       8.37616308       0.40704633       0.78459440       0.03961405 
O       3.85839791       6.54801978       9.33392996       0.94826561       0.94079541      -0.18457006 
O       6.56584989       6.32939750       0.93385475      -0.33887783       1.56930490       1.21041778 
O       8.97506636       6.32044733       0.44811935       0.28109077       0.54629271       0.92566897 
O       8.88726760       1.19969749       3.75465966       0.51874867      -2.14013981       0.66460132 
O       8.86864059       8.76988844       3.51876763       3.71205192       5.07370062      -3.66656439 
O       9.00380309       8.73042605       1.09299605      -0.45764082       1.84331680      -0.91777413 
O       6.44182302       3.42901808       3.46314930      -1.99098999       1.93540216       0.17593683 
O       5.76589175       5.93055333       3.52505708      -0.08428632       1.12643982      -1.03014021 
O       6.35713388       8.75998814       3.67711663       2.35717590       0.14146330      -0.46988623 
O       8.98712447       1.04501197       9.52151252       0.64933316       2.19940564      -2.30855997 
O       9.03825552       6.27417846       3.01663400      -2.08478027      -0.60487681       1.83792802 
O       8.98516540       3.59010985       3.80266854      -3.82443748      -0.63168855      -0.02942172 
O       4.01590208       6.10553512       1.51556594      -1.20642973       1.08522618       0.77429104 
O       4.29922955       9.14208995       8.22498133       0.46407637       0.31241716       1.80740211 
O       3.72712319       1.31247666       9.35820160       3.69309038       0.22621347      -2.01608086 
O       4.07012359       5.84710276       6.84567328       2.65350244      -0.59491080      -1.08224823 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.037742877080434306 0.005841095512507931 -0.0007987959088811091 0.005841095512507931 -0.022146867498467497 0.007512388549266241 -0.0007987959088811091 0.007512388549266241 -0.025410158306811315" pbc="T T T" energy=-930.78209897 free_energy=-930.78241336 config_type=crystal 
Hf      10.21886234      10.29689352      10.44808636      -3.09897370      -4.83640249      -2.01784565 
Hf       5.08327028       2.51808765       2.39815463      -0.51326699      -1.50155148      -1.11247062 
Hf      10.29005773       2.30995586       7.63498928      -3.37246684       3.14151661       0.55648461 
Hf       0.02195484      10.43975484       4.93940095      -1.15253213      -1.39536985       2.26213744 
Hf       7.63273497       4.68718405       7.19369410       4.31771180      -2.69979953       1.82997011 
Hf       7.98915942       7.85391665       5.41856850      -1.53762239      -3.22433502      -5.32300136 
Hf       7.36726106       2.14549585      10.22178178      -0.69769224       1.25173213      -1.28249881 
Hf       7.20719152      10.28168843       2.27610670      -0.27535141       1.01436932       1.03073666 
Hf       2.48464239       2.46813227       5.07218490       0.56840506       0.44661835      -1.04274412 
Hf       4.71107535       2.61406491       7.74870392       2.88180673      -1.20617959       1.29702835 
Hf       4.91058122      10.34157644       4.89072066       0.47634539      -1.05105978       3.87888709 
Hf       2.36946845       2.46711799       0.09184718      -0.31257871       2.76695809       1.07875373 
Hf       2.08062258       0.00144308       2.47758733       4.46405038      -1.66612641      -0.27250615 
Hf      10.16663611       2.63301072       2.55229413      -1.22843775       2.69647276      -0.77024299 
Hf       2.17985942       0.21128066       7.94502921       1.28691601      -0.97224647      -3.98481443 
Hf       7.82281393      10.24534947       7.58337920       0.78744523       0.72282860       0.45817563 
Hf       2.46194915       5.29309205       7.43482007      -0.12953650      -0.18107501       4.08245453 
Hf       5.01317531       5.29213293       5.13120830       2.46759171       0.11092787       0.87057053 
Hf       0.06402834       5.07786804       5.06519766      -5.50772366       0.79180685      -0.56203467 
Hf       2.48428601       7.86842071       5.43642645       5.21858624       5.67155013      -2.19597690 
Hf       5.11167492       5.33949196      10.41667740       2.22317906      -2.38824944      -2.24556989 
Hf       5.33001576       7.62482566       2.45543248      -0.92286205       0.18047007       3.52959383 
Hf       5.62009340       7.47488228       8.05402181      -2.01697402      -1.67960806      -3.29481027 
Hf       7.99822294       7.76734862      10.23006139      -1.29372227       0.63155854      -4.24166761 
Hf       7.63504612       5.17289455       2.29368134       1.36450421      -0.80566508       1.97052570 
Hf       2.56120526       5.28411121       2.59565664      -3.45322053      -1.57161665       1.23872840 
Hf      10.21493919       7.68189785       2.76604732      -1.70041893       3.57974353      -1.40538380 
Hf       0.01107910       5.34933678      10.29014868      -2.16800147      -1.68454544      -0.63766165 
Hf       7.71869492       2.41079906       4.65521159      -3.54847549       3.64614953       2.10091958 
Hf       0.27092251       7.86403234       7.73999908      -4.94445682      -2.08735533       2.96059026 
Hf       4.68162870      10.14482109       0.04863026       1.41109606       0.83498365       0.01567543 
Hf       2.58955013       7.45230846       0.02334685      -1.29513441       1.65777946      -1.33247807 
O       0.54906753       9.62839796       1.96761169      -4.29853129      -1.61104376      -1.90695374 
O       1.35789389       6.56222671       1.28895052      -1.14531160      -0.80227196      -0.45627322 
O       1.61063808       1.48102340       6.48266485      -1.05628602       0.30899674      -1.24542085 
O       1.16125566       1.28919972       3.83417588      -1.07151674       0.29591297      -0.84408690 
O       4.20198086       3.44662307       0.76392919      -1.74756475       0.47446920      -0.11265963 
O       0.35007712       0.67220980       8.52242215       4.53343153      -2.34174011       3.11716054 
O       3.80905124       3.81624592       3.51473260       1.35010834      -0.65833638       0.47631503 
O       6.61924918       3.83907909       0.49229499      -0.27971245       2.36000165      -0.18448855 
O       3.66153811       0.88908904       3.77718303      -1.07363946       2.86807645       0.61581789 
O       1.26085380       3.80300796       4.08801870       2.18678565      -0.08575227      -0.93284138 
O       0.73758504       1.19925854       0.58075081       5.53832994       5.79250284       2.80505141 
O       0.45064464       6.11774833       3.32975381       5.54671175      -4.14134810       3.48849486 
O       3.66842058       0.89646342       1.25242704      -3.40367372       1.74797308      -0.23779584 
O       0.62038264       3.79792348       6.44074050       3.66681172       1.90598353       1.73064932 
O       1.14975844       9.22237774       6.68579631      -1.76133581       0.79898724      -0.64755405 
O       6.26682951       1.09816792       3.73275338      -0.77075831      -0.75067772      -1.51800252 
O       6.62533465       8.78732753       8.92085448       0.98716800       3.22784166       1.16177963 
O       9.57238223       0.67522961       6.65030941      -1.75775811      -1.82313574      -1.67718000 
O       4.20726200       4.91567596       8.53274193       0.05833485      -1.16150685       1.22467350 
O       3.50356704       9.93383454       9.04055515       0.54513732      -1.74673982       1.03462555 
O       1.31922767       3.49593488       1.50650734       0.67118381       0.42505578       1.38930205 
O       3.29098199       9.45492394       6.33834558       1.84748202      -0.11490484      -0.55140469 
O       1.17214386       8.68229503       9.97144253      -2.44124379       2.43098495      -2.23899770 
O       1.21074551       6.37854573       8.87030263       2.78854464       2.72734024      -1.61580735 
O       1.50354404       8.84574421       3.93910100      -0.62725423       0.69308622       0.65679284 
O       3.65895275       6.29971159       4.10660583      -2.51959097       0.39703109      -1.29992557 
O       2.98243956       8.89351142       1.33070721       2.24363943      -0.01922139       0.02274698 
O       4.05299471       8.81334232       4.05483561       1.76216831      -1.29238030      -1.76783275 
O       1.55474532       4.44883393       9.61858558       4.35801362      -4.29705541       0.01428255 
O       9.43549166       4.70384802       1.77773044       1.22446632      -1.23421682      -2.59853901 
O       6.67137515       1.68708822       6.12370423      -0.94942256      -2.21623371       2.30569479 
O       6.90867205       3.43056048       8.45073967      -2.45618064      -0.71605085      -0.64133360 
O       4.18895285       1.16422471       6.61153214      -0.46892387       1.08257435      -1.45917657 
O       3.50614487       3.93370798       6.32292562       1.20103206      -0.86913274      -1.72410139 
O       9.71106671       3.70557360       9.23895589      -0.08488765       1.81107391      -0.33824498 
O       9.58487667       6.48488986       6.49165919      -2.18067622      -1.74532881      -0.68300720 
O       8.82940637       3.03563015       6.35371258      -0.40361082       1.63657748       1.44188999 
O       8.86182375       1.51177247       9.10673816      -2.81874328      -1.58581841      -0.45658330 
O       5.94811708       1.06174743       0.99903626       2.82352002       0.18922389       2.75040038 
O       8.62781302       1.84695943       1.37553876       1.02885650      -0.02255922       1.71230138 
O       5.92742080       9.02259965       1.24445839       0.32243162       0.19760720      -0.74478811 
O       8.88151004       8.69061011       6.73736768       2.08258155       3.01258571       3.04461453 
O       1.34721554       6.75486559       6.43110699      -0.16533069      -4.01837750      -0.42012645 
O       6.32085060       5.97779190       6.73074393      -2.41957735       3.85312047      -1.89774199 
O       9.41868692       6.79114291       9.13819778      -1.52463681       0.07304257       1.37324389 
O       6.90980774       4.30106176       5.37782473      -2.53270272      -0.72512047      -1.27239875 
O       6.37943337       8.88229856       6.32627586       0.01736809       0.65799674       0.18487124 
O       6.67429375       6.20156229       9.13268241       1.28612019      -0.35323114       0.59806176 
O       4.52358803       7.28483492       9.68216754      -1.89410032       0.62220659       1.04417186 
O       6.61382989       6.43283307       1.17551837      -2.28035345       1.42012057      -1.54642846 
O       8.92301512       7.29369864       1.25830957       2.77538762      -1.77089222       3.39043173 
O       8.96840766       1.12082839       4.26588402       3.65575007      -3.06173726      -3.22576175 
O       9.37231171       8.90622367       4.11697470      -0.32207643       1.30726087       1.52793037 
O       8.51969372       9.69637080       1.03668548       0.29744868      -0.35841351      -0.91794433 
O       6.76799534       3.38028034       2.73456394      -0.04064358       0.34410342       2.70328492 
O       6.23867303       6.20803019       3.51084168      -2.44056700      -1.25752755       2.33567631 
O       6.80143014       8.73143384       3.61597612      -0.82390331       0.80068324      -0.83656757 
O       9.01656160       9.43844020       9.03386965      -0.24961275      -1.63211653      -0.15590428 
O       8.67299194       6.48099465       3.98902143       0.08406012      -0.25253865      -0.67589625 
O       9.14554453       3.80281663       4.00551888       1.45639498      -0.41368328      -1.00134916 
O       3.66595799       6.15545837       1.21907367       3.25711222      -0.84710072       1.45077004 
O       2.95644508       2.19562864       8.68463820      -0.12533804      -0.25731112      -0.02990429 
O       5.62593490       1.02955905       9.23799028       0.58456501       1.56342689      -2.22988817 
O       3.86854416       6.77280309       6.75614278      -0.38864908      -1.16694781      -0.86681775 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.047214016899228495 0.015032174516423953 0.017487823406142168 0.015032174516423953 -0.016298487089994616 -0.015750420129960245 0.017487823406142168 -0.015750420129960245 -0.025022373594480552" pbc="T T T" energy=-922.68491891 free_energy=-922.68522291 config_type=crystal 
Hf      10.14591869       0.19207717      10.22069801       0.91705103      -1.93185126       0.63272772 
Hf       5.22938827       2.51780057       2.69935135      -2.71718315       1.12484440      -4.03651562 
Hf       9.98696380       2.73347577       7.65189241       3.61018859      10.58458218       6.01087396 
Hf      10.09943861      10.33609603       5.61413593      -0.06333782      -0.97271135      -6.94591139 
Hf       7.40189958       4.90308146       7.68759680      -0.47188634       2.58939391       0.62244270 
Hf       7.92348308       7.60935034       5.13301100       1.73572349       2.98399631      -2.68210280 
Hf       7.91191698       2.64549333      10.40667307      -3.35938218       1.24492444       0.26472963 
Hf       7.72969730       0.05258847       2.81162971       4.08834159      -2.30073998      -1.43690476 
Hf       2.57045131       2.62281287       5.31930705      -0.69917612      -1.26804407      -0.54390741 
Hf       4.94190666       2.26281756       7.74442188       2.43958990      -0.39343307       1.03447951 
Hf       5.36398245      10.26212899       4.66660855      -6.66477344      -2.59271798       8.28113409 
Hf       2.29579017       2.51457530       0.05735237      -1.74826525       2.13267137      -1.11118650 
Hf       2.52171796      10.19699144       2.58851691      -1.98807406       0.56806670      -0.65227837 
Hf       0.03671962       2.54898900       2.57704889       3.57095450       0.47215863       3.34189039 
Hf       2.42581523      10.32333271       7.14019298       0.32606365      -1.82266023       1.93206645 
Hf       7.50161766      10.43983596       7.88281571       1.24735803       0.23308030      -3.18261830 
Hf       2.30782128       5.40718294       7.79117115      -0.97900732      -1.58879665      -2.65001693 
Hf       5.05783490       4.71072149       5.32362373      -3.82861766       3.37924843       4.73398365 
Hf       0.39782487       5.13117072       4.90961980      -2.24020567       1.21041607       1.38943342 
Hf       2.45177057       7.81786813       4.75300023      -0.20715045       1.98545046       1.48908206 
Hf       5.07099761       4.88270858      10.30174481      -0.51797374      -1.34661900       0.02950056 
Hf       5.33251979       7.49392699       2.62327160       0.83772507       1.97143271       0.02121095 
Hf       5.03242883       7.59716412       7.41803731       2.99634127       0.34359272      -2.27808668 
Hf       7.50141702       7.93329943      10.38866639       0.62049745      -0.54510551       1.67052170 
Hf       7.77384813       5.04942656       2.19161579       0.82435427       3.21199229       1.01910037 
Hf       2.87392548       5.21272880       2.52142951       1.90298420      -2.02492922      -1.71403135 
Hf      10.30881734       7.98088840       2.13947486      -4.88774837       4.22319568       4.35289831 
Hf      10.33810135       5.16898458       0.12695249       0.04447357      -0.93542439      -0.49649648 
Hf       7.62211544       2.64422671       4.93123323       1.14487967      -0.07486548       3.10918528 
Hf       9.95911460       7.38910193       8.20516797       0.90489275       3.71986414       2.65999296 
Hf       5.14554291      10.31372693      10.29103883      -0.51419354       0.30740388      -0.10116697 
Hf       2.42584809       7.28198163      10.14811627       0.82082790       2.87631792       1.19441296 
O       0.54776846       9.48570158       1.08684632       2.85344550       0.15013559      -0.80017988 
O       1.75766778       6.21818272       3.67241008      -2.10037857       0.07278047      -0.92176946 
O       4.32291801       1.64233863       5.86570800      -0.50460324      -0.29324138       1.22940717 
O       0.71485967       1.15679968       4.10514789       0.56365937      -0.69276225      -1.45965328 
O       1.13470061       3.97494167       1.43896613       2.22536724       1.01060611      -0.48092010 
O       1.13179948       1.10310880       9.23267418       1.41240619      -0.35425101       0.61473779 
O       3.84277889       3.64065689       4.05379192      -0.96484724       0.57516401      -1.22485785 
O       3.85469780       3.97286454       1.25383967       0.63951411      -2.00571828       0.73579898 
O       3.68278983       0.91072560       3.74064782       0.05313307       0.76628349      -1.04995387 
O       1.24323688       3.57461726       3.99462995       1.35554906       1.87950137       0.98618359 
O       2.25894632       1.55605370       1.81303942      -0.44820058       0.24949694      -2.13420905 
O       4.15902182       6.50039941       1.04974301      -3.96945712      -0.39621355       0.13913294 
O       5.22691835       1.39302495       1.00070719      -1.79234590      -0.84212472       0.33775992 
O       8.68514770       1.12233490       4.24781371      -0.93206577       1.68880306       0.72295116 
O       1.00894838       9.00397306       5.84941318       2.40405533       0.55210240       1.62555553 
O       6.06190739       1.05220968       3.58415762       3.53075194       3.37793533      -1.12665514 
O       6.40535836       9.18463872       8.85231008      -2.30403923      -2.88075176       3.61625004 
O       1.46874383       1.34601695       6.32875321       1.20971161      -2.28169256       2.13532366 
O       2.89577859       5.27235924       9.63961009       3.63862781      -0.28125449       0.19760194 
O       1.19645736       8.46008756       8.63814033      -0.46248058       1.94827142       0.17472301 
O       9.38885364       3.65919567       0.83954288      -3.35507510       1.06213136       0.16094118 
O       3.62880716       9.43147337       5.84660530       0.13473736      -1.06683839       1.57956912 
O       9.04035054       9.01262306       9.18432923      -1.56359945       1.91247275       0.92082181 
O       0.86028815       6.76141011       1.15770605       3.19832451      -3.00723035      -1.80027022 
O       1.25987196       8.75736521       3.38062719       2.08127460      -0.34304884      -0.15534838 
O       4.43280432       6.07431277       3.56825622      -0.94669401      -1.49161146      -0.88104908 
O       3.26744047       8.90593051       0.43341141       1.61967357       3.03659778       0.65394760 
O       3.89512161       8.99710263       3.53337154       1.76285127      -2.06197910      -1.31120003 
O       0.63464064       3.57371141       9.33092218       1.61113217       0.61578721       0.32438124 
O       6.52028205       3.76682745       1.07849178      -1.69023992       4.20087984       0.57536333 
O       6.76252916       1.23008830       6.33991614       1.22043241       0.53617653      -0.55259354 
O       6.35662585       3.54723402       8.85329557      -1.70054547       2.30752949       2.69345075 
O       3.85463803       3.79894864       6.99289032      -1.43623971       2.83366511      -1.44104454 
O       1.36659214       3.82119853       6.65118156      -1.03033831       1.84525577      -0.44790912 
O       8.63042674       4.03075812       8.71940273       3.74872346      -2.39670404       1.70283742 
O       9.00132260       3.84832461       6.12844353      -0.93696309      -0.93789003      -1.40726965 
O       6.36295256       3.64779777       6.62677689      -0.89344524       0.01449323      -3.95487925 
O       6.62203183       1.31588539       9.12710769      -2.14254427      -2.77132106       0.79975076 
O       7.55427646       1.93255515       1.81727959      -0.26112208      -1.76077889       1.42997471 
O       8.92436735       1.62670170       9.21090689       2.89005577      -3.48507157      -1.98280854 
O       6.11935657       9.16093089       1.31170655      -0.25430343       1.30505890      -1.51323899 
O       8.72829953       9.09500985       6.45702392       1.85266073      -0.69301932       1.27682034 
O       0.98049005       6.21750336       9.30160625      -3.10878994      -0.58125873      -4.19320611 
O       8.51355738       6.33405256       9.32090111       0.72483754       1.79928293      -2.65330507 
O       8.64180957       6.57967627       0.99744990       2.77826889      -1.67730975       3.17930920 
O       9.98160468       6.23183860       6.82950342      -1.80796267      -2.81998221      -3.62954205 
O       6.50664323       9.22831124       6.49145562      -4.32508887      -1.40544553       0.04331487 
O       6.04696636       6.16269459       8.87050577      -2.24479527       1.53851726      -1.04218912 
O       4.13209114       6.46179588       5.69254577       0.08072988       2.08434240       4.30286097 
O       6.30605798       6.72674396       1.23055938       2.79005240      -2.86196825      -5.04457059 
O       9.10987164       6.73023203       3.79301190       5.36746810      -2.43786286       1.31957830 
O       9.90218904       1.36770575       1.37069301      -1.16936709      -4.10441371      -4.59595991 
O       9.23390093       9.22292052       3.80970350       0.02952793       0.69657010       1.76098270 
O       8.77629291       9.36734937       1.55333731      -2.56164434      -1.49575129      -3.41135168 
O       6.10623499       3.96464209       4.07683766       7.34739144      -3.76899431      -5.95857123 
O       7.10789481       6.66844095       3.34788944      -3.69445765      -1.03335150       0.93690724 
O       6.76635183       9.10282956       4.08056781      -0.38335816      -1.45793656      -1.87965660 
O       9.67382388       1.28210542       6.84417661      -4.29376341      -7.95990717      -2.76944695 
O       1.55160180       6.48965114       5.84440458       1.07419949      -1.83864452       3.36520564 
O       9.26062375       3.86934995       3.19860312      -3.72469823       2.61121127       2.75918021 
O       3.24667982       7.53423369       8.21189910       1.98275520      -1.76862965      -0.26062841 
O       4.09929415       0.43850113       8.40983703      -0.93854888      -1.13732017       0.07831620 
O       3.88673839       2.88046277       9.38851171      -0.31101226       0.03354455       0.50774314 
O       6.72946256       6.47969015       6.21430007      -1.00855907      -1.50302565       1.23523784 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04324990564735621 0.0031524757410815417 -0.0032000565252537235 0.0031524757410815417 -0.034740948193468985 0.0037100138416899316 -0.0032000565252537235 0.0037100138416899316 -0.048046180914538036" pbc="T T T" energy=-924.27574914 free_energy=-924.27724456 config_type=crystal 
Hf      10.34348171       0.26012871      10.37843882       2.10994086      -3.05558383      -1.49298504 
Hf       5.55967757       2.33212369       2.31531863      -3.90220036       3.79868294       0.80956023 
Hf      10.32513677       2.79220235       7.69228398       1.88362250      -3.41285771       0.88043055 
Hf      10.21172691      10.41281108       5.17991014      -0.46839459      -1.38128686       0.16154670 
Hf       7.67137566       4.88413711       7.37808950      -0.52179050       1.21492235      -1.37577810 
Hf       7.84241984       7.36547469       5.02545153      -1.04098966       3.54148086      -0.93181048 
Hf       7.88598666       2.52682096      10.13681780      -0.90145276      -1.33027511       1.14780881 
Hf       7.70682907      10.38362022       2.81095893      -2.93287525      -1.86414739      -1.01533149 
Hf       2.40969226       2.62973260       5.11307906       1.72470024      -4.03824360       0.87761856 
Hf       5.31256818       2.37954311       7.89105826      -0.61618452      -2.66692352       0.50585446 
Hf       5.06132475      10.29311291       5.47529488      -0.87037581      -0.53887397      -0.93838134 
Hf       2.38412103       2.64958248       9.91712117      -4.90650711      -2.08416777       3.61172127 
Hf       2.73468493      10.46557150       2.68677412       3.17462552      -0.78868768      -3.39043334 
Hf      10.24295428       2.47597072       2.15151224       1.29284856       1.58056202      -0.89261539 
Hf       2.47727732      10.34182397       7.85852304       1.31565318      -0.89513163      -0.14404736 
Hf       7.73102672      10.17766790       7.77743165      -0.67228982      -1.21507376       3.42608989 
Hf       2.64810528       5.10572048       7.75076000      -2.95703645       3.25971478       2.63055182 
Hf       4.87388903       5.34439161       5.32016110       1.03130051      -0.84401606      -2.29950268 
Hf       9.95110921       4.94062120       4.87409102       1.99745924      -0.73560454      -0.90011227 
Hf       2.08807493       7.82142842       5.04877054       3.81077729       0.37716862       1.78344808 
Hf       5.01764563       5.20307540      10.01154471       1.89105534       2.65836413       1.63687782 
Hf       4.70684293       7.14056872       2.57796730      -0.68167480       5.78492599      -5.33795484 
Hf       5.10148345       7.87623362       7.94410547      -2.93600625       0.68734203       2.80993581 
Hf       7.89124582       7.42554733      10.16718265       1.23321266       4.69304790       1.50885934 
Hf       7.34611997       5.20574062       2.20223061       1.03144779      -0.50825315      -2.09557891 
Hf       2.30043517       4.61323219       2.86276306      -1.38525316       3.87589506      -4.37339490 
Hf      10.36354437       8.08428043       2.17953821      -2.70293388      -2.72236190       0.98137403 
Hf       0.14081613       5.32162867      10.41610374       1.46576022      -1.39810510      -0.41512342 
Hf       7.73867929       2.36903389       4.84665817      -3.77517802       1.92218161      -0.05108689 
Hf      10.31694236       7.74716727       7.80944012      -3.36419765      -2.90319197       3.68626674 
Hf       5.30072892      10.22745708       0.31778157       0.09543830       0.71061772      -1.52985551 
Hf       2.60489547       8.14796611       0.02928683       0.06624748       0.40436290      -0.91431549 
O       1.24753702       9.09560495       1.46744507       4.21550612       0.22359475       0.38578797 
O       0.73690976       5.65735998       2.49933076      -1.66364138       0.68953319       1.81200925 
O       3.81627512       1.06383020       6.59765437       1.06914452       1.72867647       1.34175749 
O       1.07853573       0.69483657       3.11651399      -3.96202061       3.15883926       2.62994724 
O       1.73312464       3.65008558       1.17211152      -0.49914339      -0.19365733       1.36677262 
O       1.21982598       1.08522196       8.62847961      -2.71461987       4.27584304       0.89967955 
O       3.55427421       4.00792045       4.29687957       0.12878793      -1.25473129       1.78533665 
O       5.81820192       3.81375946       0.74864404      -0.09123219      -0.76574528       0.86069344 
O       3.94204315       1.38158885       4.11190037      -3.92156088      -0.39188840       1.36068143 
O       0.97053502       3.27897275       3.68895484       1.85439951       0.16368711       3.45724712 
O       2.15731094       0.69595028       0.73504960      -3.11672463       1.81605402      -1.10593560 
O       3.63910967       6.25984552       0.99194175       1.43123574      -0.35142209       3.51489849 
O       4.14734573       1.16036708       1.73426514       1.60106784       0.28337302      -1.36864759 
O       8.70196050       0.86181935       4.29526830       1.14483715       0.34937439       0.90306847 
O       1.13418096       8.41047473       6.85842707       6.44280549       1.99583484      -5.02682360 
O       6.18218548       1.38632564       3.90301176       3.06174124      -0.84623301       1.13239988 
O       6.42590780       9.31858169       9.38085213       0.87850913      -1.21617889       0.86596976 
O       1.23789703       0.44992320       6.20548869       2.51192043       2.74304374      -0.16378758 
O       3.74854551       6.73246521       9.28542697       0.21150965      -0.28337507      -3.94086886 
O       1.15956893       9.21573171       9.07167849       0.38112038      -1.57488894       1.98288758 
O      10.09648996       2.19506576      10.40244399       0.60813075       3.52971644      -0.27888301 
O       3.75825469       8.93308706       6.39324917      -0.50311199      -0.21855926      -0.27711613 
O       8.95701342       8.92093747       8.70738994       0.18239502      -2.43345229       0.56941641 
O       1.28297757       6.67254726       0.48000798      -0.74189754       1.86440933      -0.29555989 
O       0.67847738       8.89930593       4.37965821       1.08352181      -1.38301946      -2.98277010 
O       3.43365000       6.46715687       3.71097301      -1.85334886      -3.90632451       2.18062218 
O       3.86244006       9.19433607       1.20886274      -1.16305432      -2.39966130       0.31366063 
O       3.70438401       8.72931726       3.58109123      -1.12425062       1.74280503       1.68341655 
O       1.22599989       4.04666381       8.94365583      -2.32106642      -4.50740027       1.55861142 
O       8.54819705       3.81100183       1.10340929       0.98221793       1.34612864      -0.35967147 
O       6.97630401       1.25610623       6.75693298      -3.71609785       2.26375257      -1.94221883 
O       6.38237584       4.21732389       8.68728040      -1.02761149      -1.92970829       0.31272620 
O       3.82565566       3.66489556       7.50543029       2.35561733      -1.49950154      -3.68355003 
O       1.31768411       3.81856387       6.68085135      -0.70005359      -1.79756924      -3.88957001 
O       8.94411079       3.84129300       8.47306146      -0.50119700      -1.01430473       2.66759376 
O       8.72581872       3.41944203       6.12226764       4.61051249       2.25872201       1.43485570 
O       6.50086442       4.07087632       5.99435037      -2.09597127      -2.32939429      -0.47973172 
O       6.07084196       1.29204391       9.39645043       0.09782870       2.84501544      -1.52598705 
O       6.89253045       1.60925057       1.33145083       1.98479244      -2.71371997      -1.12337172 
O       8.32670882       0.60004902       9.98636555       0.75196243       0.43904494      -2.12489806 
O       6.23529632       9.31474719       1.82305620       1.66857757       0.10035520      -0.04413975 
O       9.20376643       8.99034764       6.04081182      -2.95763635      -2.90946059       1.41319225 
O       1.03847070       6.02523717       8.44417318      -1.35666511       4.45441741      -0.63496511 
O       9.26472964       6.23468750       9.39441025      -2.17700112       0.93867029      -2.08888913 
O       8.88105905       6.77993664       1.30086587      -0.00669039      -1.81829595       2.03847439 
O       9.19483416       6.17463485       6.44003811      -1.63502061       0.37212929      -0.74029596 
O       6.21513821       8.97805467       7.01292566       2.62602946       3.03600940      -3.53710522 
O       6.49935090       6.95102217       8.98133572      -1.12730135      -3.72361773      -2.83079293 
O       3.33213466       6.22128752       6.17167166       1.46362236      -0.28781983       1.60849980 
O       6.28393547       6.25892722       0.77141619       1.62319303       1.46199402       2.62758809 
O       8.48166321       5.73089340       3.85627997       0.78370472       2.68422508       1.94146336 
O       9.13207129       1.05103381       1.82553616       0.22884865      -2.64950746       0.42476338 
O       8.81296083       8.90769553       3.54728007       0.45383837      -2.33524471      -1.22973122 
O       9.57999231       9.07530094       0.70891623      -3.03115608      -0.88247366       0.36473479 
O       6.17486657       4.13137221       3.30027294      -0.94289470      -0.60563339       1.46161036 
O       6.29123219       6.74169964       3.56978083       1.42466089      -0.71858883       2.11940034 
O       6.48471560       9.40193514       4.53808498       1.73704912      -1.27549619      -0.47668764 
O       9.27628433       0.76602400       7.31373461       3.05935254       3.43238021      -1.02802993 
O       1.07076458       6.19858508       5.15352757      -2.18543850      -2.12607491      -0.92768436 
O       8.93853252       3.40952122       3.46680316       0.29124191      -0.65354635       1.45825623 
O       3.99499930       9.25103043       9.23366931      -1.35425490       0.30199506      -1.79856853 
O       3.58038006       1.54801252       9.15827583       4.90826220      -2.78523014      -3.46131810 
O       3.46724096       4.22368357       9.67307754      -0.19313787      -0.00669299       0.17829523 
O       6.23649072       6.29632149       6.34875160       1.31324041       3.23181685       0.47849618 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025861023268028454 0.00207525668321124 -0.01160328991738587 0.00207525668321124 -0.02726387610636142 0.002173850994193711 -0.01160328991738587 0.002173850994193711 -0.040332777173925916" pbc="T T T" energy=-926.18599208 free_energy=-926.18747415 config_type=crystal 
Hf      10.24335869       0.22434017      10.45139232      -0.51182336       0.75075800      -2.83596180 
Hf       5.55328827       2.43246482       2.41427206      -0.27935295      -1.69035162      -1.35566442 
Hf      10.25846299       2.82985273       7.73875360       2.02388143      -2.27212800      -0.38122678 
Hf      10.20184315      10.35261054       5.22267368       2.14489304      -0.41123034       1.41113541 
Hf       7.57952941       4.82555622       7.45570296      -0.92425013       2.63761311      -3.49105240 
Hf       7.88902814       7.49491563       5.00624909      -2.81637266       0.74490139      -1.47831514 
Hf       7.97005965       2.54088827      10.11276595      -2.27927992      -3.12324403      -0.37351139 
Hf       7.78607275      10.28780080       2.72289444       1.03515239       1.31795455       0.91676239 
Hf       2.43640168       2.58547522       5.11544390      -0.24253340      -4.48984263       3.76766338 
Hf       5.28980723       2.36484595       7.91508887      -0.20040925       0.07507620      -2.00415220 
Hf       5.07525495      10.26276826       5.32029998      -1.72214227      -0.02906213       0.18456339 
Hf       2.31974217       2.53656929       9.97628189       1.45328838      -1.60590821      -2.76248628 
Hf       2.62316139      10.41243325       2.64666900      -0.53960662       1.23628211      -0.00597301 
Hf      10.29487636       2.66773076       2.08168113       1.06651149      -1.80055698       1.91772332 
Hf       2.39035773      10.13863212       7.82929199       0.71995194       2.73446164      -2.14616936 
Hf       7.70716619      10.21404779       7.81657147       3.42241405       2.36297379       1.64647322 
Hf       2.68673560       5.08759167       7.85783279      -1.51213760       0.73233234      -2.67218120 
Hf       4.89314076       5.36688085       5.23647284       1.98317720      -1.55367122       1.58196834 
Hf       9.97955791       4.87849635       4.91978342      -0.37043445      -0.38984748      -2.65200065 
Hf       2.11231768       7.71437196       5.03722517       3.29796522      -1.45335114       0.55241192 
Hf       5.01700646       5.25334456      10.01984493       1.50343166       2.29701782      -0.65904720 
Hf       4.78310877       7.15467883       2.47660466       3.74130886       5.58514594       2.83086560 
Hf       5.12964119       7.92284956       7.98147608       0.74616886       0.11032442      -2.18970440 
Hf       7.88278840       7.56565825      10.25935523      -1.33364349       2.23199888       0.30726845 
Hf       7.35184226       4.99340120       2.02163078       0.80968085       4.11993345       3.23728468 
Hf       2.32168407       4.70649451       2.82358557      -2.22212270      -0.26661365       1.41062368 
Hf      10.35519370       8.14922467       2.26370405       0.62820421      -4.37259182      -1.25643146 
Hf       0.09092679       5.33578964      10.37973579      -1.65663782       0.93881051      -0.34275894 
Hf       7.65896212       2.46369471       4.87972425       0.53062653       1.92496159       2.23722848 
Hf      10.24327193       7.66664996       7.93445553       0.67039494       2.83057075      -6.64670559 
Hf       5.32768703      10.22036550       0.42926230       1.21307407      -0.33314330      -1.20080750 
Hf       2.61430940       8.04624093       0.00850452       2.56883258      -0.77168466      -3.42108538 
O       1.77526879       8.72461804       1.54203925      -3.04113178       2.96026063       3.44164529 
O       0.51679490       5.50773979       2.60807489       0.23042777       0.54941249      -1.58111441 
O       4.22542494       1.50200426       6.58283968      -2.43605697      -4.94794835      -5.15670660 
O       0.83908656       1.25124122       3.38921858       1.13443341      -3.43437802      -0.95372643 
O       2.00363813       3.45938189       1.35501150      -0.74187823       1.49139530      -0.03569482 
O       1.09099763       1.46691004       8.68331737       1.65663803      -1.96355660       0.03665769 
O       3.55518697       3.90682136       4.36690232       1.60679012      -0.88865174      -0.26548037 
O       5.70816877       4.11544119       0.98636389      -0.28413016      -1.96148411      -0.06958268 
O       3.65299016       1.19260203       3.82138032       0.61469882       0.42968778       1.31239165 
O       1.13174987       3.34743070       3.90693136      -0.82986180       3.18898153      -1.92461442 
O       1.94158267       1.17451634       0.72910019      -2.24554855      -4.54339746       2.75654560 
O       3.69921716       6.62689715       1.11237851      -2.12813229      -6.05828046      -3.09596751 
O       4.38885361       1.11939097       1.43148007      -1.33016946       0.48901669       0.62652157 
O       8.91427500       0.98442241       4.38233274      -1.08954782      -0.05898204       0.28998892 
O       1.33207650       8.46162912       6.52148838      -2.82826778       1.58603878       2.90629079 
O       6.64788910       1.28292021       3.73681856      -2.98967608       0.06585129      -0.94887730 
O       6.52192577       9.20862683       9.63657081       1.00465910      -1.95117508      -1.46481482 
O       1.46857584       0.65702826       6.22218489       0.89377160      -0.39174930      -1.40326030 
O       3.65348018       6.71536260       8.88468946       0.93455482      -0.14063043       0.52405723 
O       1.38678657       9.26822357       9.40947740      -1.11538112       0.42589820      -1.62883828 
O       9.91858068       2.35063620      10.14604302       1.11606559      -2.12031973       1.83690443 
O       3.60840707       9.03123960       6.33069814       2.13991053       0.40496981       0.74146771 
O       9.06814489       8.94391905       8.68439800      -1.46164161       1.55984959       1.99745315 
O       0.95642271       7.01653901       0.29722909      -1.51946860      -2.94950646      -0.53562833 
O       1.02030400       8.86469599       3.86091681       1.13377963       0.39827295       0.63132075 
O       3.65968538       5.93628525       3.72827782       1.01024802       4.86989386      -1.81560923 
O       4.05340059       8.77619181       1.21059594       1.63662863       3.23028063      -0.50131495 
O       3.72797755       9.01491066       3.86576340      -0.16508951      -1.02091751      -0.83474527 
O       0.80901329       3.79174538       9.31243992       2.38031968       4.40949439      -0.55742315 
O       8.54980958       3.69404225       1.17414845       1.41691854       1.93110515      -0.75713960 
O       6.57661323       1.52778136       6.61548627       3.96463968      -2.08631990      -1.14364635 
O       6.16112696       4.03706495       8.55731531       0.48921860       2.53443746       2.21470106 
O       3.85993634       3.62426263       7.21979314      -1.21197044       3.44467801      -1.85031434 
O       1.08428482       3.65327525       6.38452601       1.02134505      -0.54580051       1.92631722 
O       8.88143060       3.94236667       8.77877696      -1.89291363       1.27937383      -0.67134222 
O       9.08327054       3.58452760       6.15813457      -2.56821634      -0.02926191       1.20662834 
O       6.44437886       4.03701167       5.78016639       0.91444663      -0.10008803       1.33523968 
O       6.12651001       1.67835397       9.51683423       2.24474761      -1.82139847       0.79524852 
O       7.03183317       1.64832037       1.24010979      -2.55182798      -0.64210123       2.96101382 
O       8.33117412       0.42830370       9.77190976       0.76040132       2.27131513      -1.50771200 
O       6.36788298       9.22890248       2.06889175      -1.09192538       0.11186856      -3.74540171 
O       8.91723935       8.87735433       6.16459934       1.81481202       1.39731736      -0.12924661 
O       1.14805140       6.42007101       8.00299836       1.26276601      -3.06734402       1.99335458 
O       9.20363184       6.61054057       9.08264790      -1.40275493      -4.65020873       3.46849996 
O       8.65457362       6.73547350       1.42825878       2.44600933      -1.32134073      -0.72564106 
O       8.76797710       6.35389522       6.30682610       2.65763291      -2.25655327       2.59395749 
O       6.56086129       9.15550584       6.81111305      -4.43854118      -1.34814627       0.20742931 
O       6.32270259       6.59698810       8.86069298       1.20207580      -0.61857662       1.96384580 
O       3.46311884       6.24960518       6.32262441       0.90052234       0.28619588      -0.35251264 
O       6.45171201       6.42096461       0.88641283      -2.43582150       0.32230954      -1.14974060 
O       8.67278377       5.99855234       3.82578659       1.48398853      -0.00789334       1.09386968 
O       9.22364583       0.99707343       1.49734334       1.94938769       0.07356016       3.16618586 
O       9.28546768       9.09495249       3.55148602      -3.20707590      -0.07293509       0.84672314 
O       9.21749495       9.02033026       0.94378529       0.33974002       1.04837636      -0.98979502 
O       6.10933466       4.10823364       3.33942678       0.40918212      -0.79610923       1.23207137 
O       6.59115277       6.70577085       3.37849554      -3.19982005      -0.24808043       0.96805882 
O       6.50552994       9.27867826       4.35045511       1.19224521       0.16823890       1.23907147 
O       9.68995785       1.03599053       7.05790887      -3.00667503      -1.22240188      -0.37373262 
O       1.11205050       5.77895378       5.22319542       2.28469041       4.24754001      -0.88472478 
O       9.01766997       3.33542702       3.47168627      -0.56510545       0.64734728       1.25231447 
O       4.11637792       9.33963163       8.87776471      -1.79966792       0.83401007       1.86010653 
O       3.88461323       1.60172255       8.91202833      -5.25842210      -1.51972687       3.49395010 
O       3.32779601       4.33138245       9.54567332       1.03306711      -0.21214032       2.37732535 
O       6.31679013       6.47506901       6.52785351      -1.34160398       0.27226370      -2.36598284 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017482142172324477 0.0019090699241839793 -0.02109548378200876 0.0019090699241839793 0.015165301405950961 -0.0029043052554821053 -0.02109548378200876 -0.0029043052554821053 -0.00841739861568201" pbc="T T T" energy=-930.08550743 free_energy=-930.08640839 config_type=crystal 
Hf      10.10047989       0.16674227      10.46304988       1.69456929      -2.49188272      -1.39433324 
Hf       5.44531340       2.52168039       2.55883205      -4.26209651      -1.44774007       0.82511886 
Hf      10.24016315       2.77650650       7.81727354      -0.35986823      -2.78982900       0.70340168 
Hf      10.26825726      10.27854909       5.31878971      -0.05925543       2.60219448      -0.25749703 
Hf       7.40312768       4.88362385       7.47098498       1.89332986       6.90281257       6.49862032 
Hf       7.85449240       7.71414557       4.96144873       0.61978374      -1.82603408       2.44758570 
Hf       8.02913256       2.48491263      10.11941345      -3.22762452      -0.20875135       3.61569848 
Hf       7.92567815      10.20484161       2.62921117       1.02027516       4.50166354       2.96291842 
Hf       2.47925910       2.33790930       5.21815437       1.66945799      -1.01948709      -0.94830935 
Hf       5.18867119       2.29414049       7.86458150      -2.80424963      -1.91798211      -3.74347066 
Hf       5.03058364      10.19115737       5.07335470      -0.12531902       0.24329565       1.18913607 
Hf       2.24300839       2.29173996      10.06305192       0.95286620       0.88218399      -1.19567917 
Hf       2.41786154      10.41643374       2.59009040      -1.16627528       1.55702294       1.91918160 
Hf      10.45240680       2.87893889       2.06480093       1.24569334      -4.10836082       2.60653413 
Hf       2.29080648       9.93345336       7.68426656       0.66452964       2.72060373       1.77119779 
Hf       7.76231563      10.30967275       7.86106653      -0.90542440      -0.22326443      -4.19146439 
Hf       2.70157259       5.08488343       7.93624294       0.40902671      -0.84517515      -0.08889945 
Hf       4.99365082       5.33459231       5.15560313      -0.99905567      -0.09836537       0.21303077 
Hf      10.06198269       4.79313968       4.90826003      -0.34290922       3.79734787       4.07311133 
Hf       2.32852405       7.56764703       5.08407429       2.94261555       2.29602801       1.48212851 
Hf       5.06202441       5.41977295      10.05126583      -1.91182942      -2.57252932      -1.39497489 
Hf       5.02409260       7.39575456       2.35225448      -1.59510304       1.79432089       2.30896093 
Hf       5.18988129       8.02235863       7.93124094      -1.51770962      -0.45963519      -1.99016659 
Hf       7.86120573       7.81151347      10.42900302      -0.56541809      -2.71572506      -2.23330082 
Hf       7.38095996       4.84746742       1.86278003       0.68078755       2.89473742       3.26325443 
Hf       2.31250155       4.89884851       2.77843187       1.67270944       1.46544426      -2.10521171 
Hf      10.34629681       8.05660948       2.36108230       1.42200756      -3.60482116       0.48897792 
Hf      10.33564169       5.41310639      10.35991480       1.79225272      -0.75515326       1.50744644 
Hf       7.51758866       2.62571661       4.96200909       1.90606724      -4.02752788       1.90494711 
Hf      10.09149078       7.59417173       7.95092817       0.39724655      -0.56266530      -1.23246959 
Hf       5.42763379      10.22560069       0.51270941      -2.63293779       3.03676524      -4.89703227 
Hf       2.69864802       7.86637206      10.36793484      -1.11597825      -0.78107572      -4.18494412 
O       1.93737766       8.47472401       1.45852442      -3.01005745       2.46256957       5.58214154 
O       0.55507554       5.52955177       2.07605000       0.52050887       0.85249944      -0.53110268 
O       4.36367978       1.37553813       5.85750219       0.32876255       1.54347386       2.61594086 
O       0.93932858       1.22750514       3.65597752       1.27348103       0.33652124       1.06806851 
O       1.95514142       3.35966349       1.45982893      -1.09971152      -0.47416473       0.47019940 
O       1.21981792       1.32444549       8.49565872      -1.33298596       1.19552068       1.27870400 
O       4.18640726       3.66112292       3.98326690      -1.73871487       0.50711969      -1.65122293 
O       5.69860915       4.03730086       1.09639777       2.15047653      -0.56039540       0.24222554 
O       3.48636888       1.14012796       3.75725381       0.45617370      -0.78370083      -1.04483484 
O       1.03437392       4.00645016       3.96557149       2.26658486      -4.79188349      -1.00205829 
O       1.05534693       0.76970109       1.18751295       5.64043427      -0.22691190      -1.12218587 
O       3.32179019       5.77089208       0.78966317       0.35017972       3.18849826       2.03839145 
O       4.06290265       1.30315347       1.29564481       1.00489772      -1.75764882      -0.41328334 
O       8.69885141       1.01683100       4.54671394       0.25802828      -0.71936219      -1.07666760 
O       0.84916467       8.90390206       6.67332542       1.56482358      -1.88463513      -0.22896039 
O       6.32348986       1.27137233       3.76883812      -0.58799460      -0.91650555       1.49439001 
O       6.36584196       8.98190916       9.16576397       3.42991195       0.95906542       4.05653465 
O       1.93841633       0.66344792       6.05947567      -1.51539987      -0.11044921      -0.15508912 
O       3.88591219       6.68324874       8.87951121      -0.34329707      -1.08701746       0.03175098 
O       1.24004637       9.45582204       9.35883355       0.13356513      -1.20192580       0.87856780 
O      10.10900900       2.13270825      10.43002013       0.32368538       3.49407446       0.26410941 
O       3.84994782       9.10405526       6.66428942      -2.46323182      -0.46468034      -1.86954082 
O       9.15627228       8.92874871       9.12970017      -2.15741011       0.94775183       0.90606439 
O       0.46469290       7.21356774       0.03155245       1.57931186       1.18083926       0.38312644 
O       1.25859886       8.92300099       4.03025648      -0.91931800       0.57100351      -2.27104431 
O       3.77516117       6.34302376       3.42016378      -2.17574037      -1.19673325       1.74342431 
O       4.26845976       8.67351211       0.85795314       0.68405692      -0.02984463       2.52032426 
O       3.88162053       8.91994067       3.84640982       0.99256865       0.27866996      -0.66802684 
O       1.16401957       4.14664993       9.10771539      -2.83952338      -1.35969918       0.65339398 
O       9.10455628       4.00557121       1.00347100      -2.63746949      -1.36127944       1.11822291 
O       7.06076551       1.31551206       6.62571017      -1.89181718       1.49031744       0.53772009 
O       5.65278300       3.87429136       8.77494633       1.57928735       2.72153562      -0.07175425 
O       3.76501869       4.09845853       6.43810166      -0.66114528      -0.94525996       0.85311605 
O       1.07756227       3.35095938       6.61895382       1.19095092       1.15672170      -2.56883055 
O       8.28476332       4.01285411       9.10065249       1.15216736      -0.74909445      -1.34251066 
O       8.82139638       3.92770739       6.63932649       3.68020346      -3.32316274      -3.19470039 
O       6.47504420       4.01770300       6.23587562      -5.14801072      -2.71909376      -5.18089886 
O       6.15694718       1.44839554       9.19275756       3.25966975      -2.75413946       3.46192286 
O       6.97138856       1.35131672       1.48392892      -0.33364555       0.06527832      -2.19651134 
O       8.69164846       1.10029779       9.08256752       0.97579430      -2.34358417       0.17340421 
O       6.59290230       9.05623331       1.49075508       0.28021950      -0.77651196       1.15357953 
O       9.02419889       9.06499770       6.54557477      -2.99178327      -1.20126940      -0.84167727 
O       1.26620831       6.39387819       8.00159023      -0.89895669       1.45901028      -0.20960419 
O       9.00052214       6.29322349       9.39820561      -1.05267150       2.35857985      -1.51435003 
O       8.77816490       6.31837283       1.36152525      -2.20765963       2.49440817       0.74491975 
O       8.98660545       6.23709054       6.90219138      -0.21957440       1.80724409      -1.23036350 
O       5.98443972       9.47749985       6.92220171       3.22638030       1.77656103      -2.26591115 
O       6.67355861       6.28369307       8.96061002      -1.84110509       1.38799251      -0.24833536 
O       3.74690557       6.59544297       6.23417780      -0.71077517      -0.73961339      -0.28242965 
O       5.99794959       6.60091878       0.91124044       3.27777116      -0.86948398      -0.20352234 
O       9.48095851       6.70857799       4.25315357      -1.22491203      -1.09319849      -1.07553083 
O       9.63078080       0.88921442       2.11598096      -3.99935740       0.17027505      -1.20832553 
O       9.24370001       8.98712122       3.77114466       0.90632642       0.78076485      -1.20584032 
O       8.87805107       9.14529167       1.12173843       2.98574694      -0.43275712       0.57861774 
O       6.59886196       3.83960302       3.67957221       0.33431007       1.13449309      -3.21298554 
O       6.27567931       6.40909992       3.63472946       1.90708423       0.14660548      -1.09029785 
O       7.00061385       9.21223338       4.15000571      -3.51052620       0.80190385       0.32607168 
O       9.43766894       1.09579450       6.83397887       2.60577905       0.07787283       0.46990032 
O       1.29518869       6.05425283       4.88810234       0.14183117      -0.13217081      -0.02844165 
O       9.02871139       3.65611055       3.78716223      -0.58217001      -0.76708939      -2.05049737 
O       3.89576287       9.31526004       9.16654517      -0.97377009      -1.06853204      -0.73711159 
O       3.61355937       1.42281856       8.94498566       0.75694427       0.97894352      -1.01820304 
O       3.37425285       4.16088124       9.66158952       0.52608238      -1.40422519      -1.68605922 
O       6.17520495       6.85294854       6.05949472       1.84518634      -0.52491253       1.03594780 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.020421553476209605 0.003884387532064031 -0.0030697361178221483 0.003884387532064031 -0.017496788541329838 -0.002281692288191452 -0.0030697361178221483 -0.002281692288191452 -0.02673859509234951" pbc="T T T" energy=-924.26134413 free_energy=-924.26204392 config_type=crystal 
Hf      10.19932959       0.20918197       0.00049306       0.53565146       0.32914633      -2.70919564 
Hf       5.53579245       2.47832415       2.45785834      -0.89157916      -3.57738990      -1.06518240 
Hf      10.24467471       2.82469572       7.75708473       1.92093992      -1.20059806       0.68791235 
Hf      10.20861049      10.32203804       5.24934888       2.46380828       1.05217197       0.42079962 
Hf       7.53570283       4.81643524       7.46588239      -0.68643491       3.75007045      -2.15013014 
Hf       7.89362698       7.55837293       4.98986844      -2.85682129      -0.19974691      -0.59564576 
Hf       7.99496408       2.52731026      10.10311664      -1.04631604      -1.57045531       1.22820115 
Hf       7.82117398      10.25172966       2.68845248       1.47108837       1.60733185       1.21008627 
Hf       2.44936920       2.53868587       5.13452943      -1.60016889      -5.59987143       3.45312301 
Hf       5.27646346       2.35223334       7.91276213      -2.87518950      -1.31236083      -2.31184866 
Hf       5.06722549      10.25111509       5.25353285      -1.21907489      -0.48109223       0.30694047 
Hf       2.29521066       2.47208724       9.99346289       0.82340351      -1.35854631       0.16697630 
Hf       2.57553359      10.39912108       2.62384452      -1.86625058       1.87139605       0.67393185 
Hf      10.32669372       2.74635108       2.05975350       1.68624361      -3.07344097       3.08530346 
Hf       2.35801476      10.06466685       7.80422156       0.55146237       2.86975681      -3.03720493 
Hf       7.71648676      10.24568313       7.84634122       1.66914698      -0.52771925      -1.87780414 
Hf       2.69479720       5.08596459       7.89458673      -1.62582246       0.61555992      -3.43391716 
Hf       4.91344184       5.36871108       5.20488836       1.79647222      -2.29323639       2.40468880 
Hf       9.99289865       4.84810177       4.92459138       1.77349265       1.03567957      -2.70284135 
Hf       2.14930429       7.65675835       5.04362567       2.52448262       0.08684231       0.21616590 
Hf       5.03431107       5.29726639      10.02179866      -0.08013281       0.75639947       0.84870294 
Hf       4.83924768       7.20398688       2.44482823       2.09860620       2.72515055      -0.47132840 
Hf       5.13894177       7.94888371       7.98633062       1.68831145      -0.18932179      -3.02973319 
Hf       7.86679960       7.64650870      10.29806950       1.73361632      -1.06755811       1.49346228 
Hf       7.36090965       4.92221294       1.95502284      -0.16771722       5.73361704       4.21114241 
Hf       2.32232052       4.74920121       2.80536318      -2.32215197       0.72343292       2.79314500 
Hf      10.34973872       8.14795093       2.30198239       0.12817999      -4.44403349      -2.92624895 
Hf       0.05177472       5.33256585      10.35635618      -3.45126754       4.27539220       2.17299982 
Hf       7.61885449       2.51796028       4.90338696       0.37560826      -1.04545833       0.19414995 
Hf      10.21383229       7.63875303       7.95823536      -2.93324180       2.85495079      -4.07947131 
Hf       5.34495678      10.21941485       0.47158928       3.23315769      -2.08004531      -2.36583210 
Hf       2.63465286       7.99772339      10.44787410       1.17559003      -0.06572266      -0.14721020 
O       1.92960672       8.74025590       1.73518041      -1.60526772      -1.11528126      -3.85093484 
O       0.32762273       5.54244822       2.57763321       3.05093089      -0.67448073      -2.05159994 
O       4.29795079       1.43310139       6.30404334      -0.58619870      -1.64771498      -0.57687730 
O       0.78602219       1.30754655       3.48479926       1.05037880      -1.66712856      -1.01692022 
O       2.06840015       3.46185495       1.44776255      -0.84218489       0.08587898      -1.22053067 
O       1.09468833       1.59910788       8.73211561       1.60697109      -3.31391102      -1.40264732 
O       3.66180510       3.73050220       4.47030136       3.18979649       3.06780386      -3.30992585 
O       5.65782363       4.07010716       1.13027163      -0.00739886       0.02949481      -1.88004397 
O       3.49080990       1.12125018       3.81726774       2.35512630       1.31549226       0.73815806 
O       1.21696651       3.56084939       3.99768430      -1.81413681       1.83457445      -3.39382206 
O       1.66216956       1.15547696       0.85832793      -1.28091475      -2.44168085       0.86813948 
O       3.55198996       6.42390970       0.93456196       1.24255927      -2.82894476       1.23255759 
O       4.41522131       1.08818536       1.29062375      -2.54111102       2.50917041       2.19251016 
O       8.98902303       0.99684265       4.43041373      -2.52270716       0.42231500       0.29153685 
O       1.35061612       8.58616748       6.46442980      -3.03545144       1.08739569       2.31483869 
O       6.69162096       1.19422597       3.62194971      -2.73025972       2.31015184       1.30636825 
O       6.68508566       9.02173546       9.64885048      -3.25741449       1.31775707      -2.17839487 
O       1.66614389       0.76929291       6.12150800      -0.57271446      -1.71107822       0.47340594 
O       3.65076923       6.71580772       8.67832897       1.42393371       0.29808621       3.00621072 
O       1.42581890       9.25687371       9.51637382      -1.66365386       1.93473969      -2.75546139 
O       9.93188469       2.38270443      10.09277938       0.35845524      -3.38689804       2.54798915 
O       3.66265056       9.10523878       6.33905875       1.40436881      -0.59933256       1.45480706 
O       9.01506974       9.02001733       8.81702328       1.48302589      -1.48687087      -0.04991131 
O       0.85501810       7.19803067       0.22843214      -1.72929296      -3.28379154      -0.13885786 
O       1.17550885       8.91448286       3.59303013      -0.07062994      -0.24666342       6.03825125 
O       3.77902947       5.93052487       3.68885772      -0.26918821       3.50843401      -2.18471893 
O       4.15125056       8.71490310       1.17301203       1.08200309       1.77788439      -0.97262384 
O       3.69684102       9.09216314       3.96823273       0.81855541      -1.83352827      -1.52970217 
O       0.73895695       3.87655782       9.44736881       3.37680343       2.27200135      -2.44903126 
O       8.64917170       3.78964094       1.12898596       1.56826213       0.33678686      -0.26826026 
O       6.57818295       1.53713824       6.48228650       3.28106639      -1.23054400       1.31862270 
O       6.03377738       4.03770203       8.67761298       0.00156068       0.61597394       0.00125906 
O       3.80528624       3.80870094       6.90672042       0.83055269      -0.24001290       0.90242966 
O       1.04050596       3.52526431       6.29432736       0.94229511       0.26097307       3.54747284 
O       8.70161867       4.05868226       8.94422058      -0.29030618       0.17334484      -1.97899533 
O       9.24784745       3.75375088       6.32842896      -5.99635587      -0.47818122       0.56406999 
O       6.42213704       3.97533383       5.74235881       1.49315390       1.03380547       3.09407315 
O       6.30855846       1.76388219       9.62861649      -3.18307639      -2.32902264      -3.76754956 
O       7.09731934       1.53922824       1.24642531      -2.08794468       0.11577718       2.93324339 
O       8.37481691       0.49298576       9.55231235       0.64802334       3.63200643       0.68147047 
O       6.42320197       9.22405705       1.96379843      -1.95171183      -0.40894985      -3.13009113 
O       8.82756473       8.84049279       6.22907385       2.95934824       2.27950056       0.78305412 
O       1.17522437       6.51568278       7.93812539       2.02308197      -3.45588019       1.35038902 
O       9.11921042       6.51534200       9.09214441       0.04624841      -1.81491994       2.13545561 
O       8.73272631       6.56636012       1.54754039       0.49504446       0.20398709      -2.62907494 
O       8.71431365       6.32657801       6.36269593       2.05204084      -1.77784830       2.63660558 
O       6.46415663       9.16497263       6.68130956      -2.84399809       0.78470828       2.90735887 
O       6.37841040       6.32382540       8.93440140       0.39180252       2.18578250      -0.32565120 
O       3.62155398       6.25405458       6.40680615      -0.70401317       1.37386364      -1.80956543 
O       6.42507867       6.56613269       0.90161059      -2.82891473      -1.43505719      -0.04798858 
O       8.88475111       6.15986715       3.93143807       0.01492863       0.60869331       0.51351315 
O       9.33735565       0.87132685       1.56940857       1.54256427       2.13878210       2.34359503 
O       9.31715285       9.13294877       3.57228905      -1.98278486      -0.61690119       1.29065176 
O       9.02147684       9.12138718       0.93270462       1.30810729      -1.22295323       0.50895411 
O       6.06462923       4.03074336       3.48583510       2.10153066      -0.38128670      -0.42112753 
O       6.57441596       6.67299929       3.40596931      -2.72323612      -0.73617505       0.53961772 
O       6.65467967       9.19408185       4.31007295       0.45797394       0.66507398       0.34548043 
O       9.69800321       1.13444523       6.91765812      -2.11527634      -1.80451288       0.56158403 
O       1.19347973       5.80165528       5.17007757       1.69540222       4.00765274      -0.61554900 
O       9.01603326       3.34452508       3.59441010      -0.24703774       1.05802129      -0.20941438 
O       4.00022560       9.43567199       8.82212618       0.82717667      -1.10907070       2.18111006 
O       3.78828201       1.53018241       8.95447463      -1.23149774       0.12895638       0.61492610 
O       3.19333632       4.28035491       9.60970438       2.52360101       0.69375228       0.73396007 
O       6.28043987       6.63777153       6.46094916      -0.97640160      -0.87416529      -1.39316187 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.020819456554886213 -0.00023750096279023174 -0.01570903620315766 -0.00023750096279023174 0.008897944686573721 -0.003919247434071659 -0.01570903620315766 -0.003919247434071659 -0.008762230148502739" pbc="T T T" energy=-929.01252018 free_energy=-929.01318942 config_type=crystal 
Hf      10.11444483       0.17674167       0.00007504       1.32274883      -2.40436295      -1.21847277 
Hf       5.46882771       2.52097517       2.54167051      -4.57627889      -2.04801261       0.51597106 
Hf      10.23990223       2.78907966       7.80583001      -0.25442151      -2.42628021       0.82051837 
Hf      10.25614452      10.28003330       5.30845695       0.35912358       2.88739064      -0.56395963 
Hf       7.42683677       4.86031175       7.46535636      -0.04697917       7.05624907       5.39439016 
Hf       7.86378115       7.69108519       4.96074530      -0.34629143      -2.10197881       3.06500608 
Hf       8.02899493       2.48863231      10.11013663      -3.61844073       1.99639329       3.42428170 
Hf       7.90847214      10.20536053       2.63460765       0.26056386       4.17379407       2.71325223 
Hf       2.47101163       2.37431357       5.20582885       2.01682160      -0.80356791      -1.17305851 
Hf       5.20827449       2.30647323       7.87665416      -2.48253909      -1.34009458      -2.54835228 
Hf       5.03668114      10.20600357       5.10448746       0.05809111      -1.61368196       0.28738236 
Hf       2.25114743       2.32031980      10.04786431       0.47420158       1.14352638       0.20291020 
Hf       2.44681398      10.40814158       2.59148868      -1.06387929       1.92350452       2.16429461 
Hf      10.42677351       2.86540662       2.05834538       1.86612779      -4.21150839       2.40391061 
Hf       2.29914700       9.94889027       7.70647176       1.57641558       3.06091377       0.55013027 
Hf       7.75527198      10.30156050       7.86814105      -0.85888950      -0.67040471      -4.61682468 
Hf       2.69895395       5.08648539       7.93158925       1.02906361      -1.01115138      -0.27482086 
Hf       4.97974721       5.34216471       5.16272674      -0.46491111      -0.21320828       0.27048772 
Hf      10.04838302       4.79803964       4.90860091       0.08708606       2.99020936       2.74784419 
Hf       2.28599349       7.56770386       5.07233142       6.04572575       6.60505796       2.68362162 
Hf       5.06122427       5.40083373      10.04478966      -1.88293583      -1.54443903      -0.62706477 
Hf       4.99212925       7.35735868       2.36800318      -0.68126607       2.87962702       1.00284417 
Hf       5.18089711       8.00904374       7.94658815      -0.79512793      -0.00352126      -2.16762731 
Hf       7.86062402       7.79082106      10.40700097      -0.66853227      -2.91310683      -1.65895777 
Hf       7.37775584       4.85095507       1.87107125       0.22241978       3.38033570       3.14039481 
Hf       2.30996381       4.86808332       2.78675145       2.40259716       2.15578679      -2.76387469 
Hf      10.34462588       8.07967321       2.35221450       1.30070420      -3.59267805       0.27450916 
Hf      10.37113383       5.39467196      10.35216447       0.29857927      -0.17419121       2.28591141 
Hf       7.53414473       2.61365327       4.95263912       0.71408716      -3.31092971       0.74676265 
Hf      10.11419731       7.60295664       7.95619958      -0.21066626      -1.09406533      -1.73727852 
Hf       5.41588978      10.21647888       0.51646322      -2.71070243       4.53844908      -5.53461273 
Hf       2.68892262       7.88898271      10.38462989      -0.53485590      -0.55501803      -3.51853460 
O       1.98589980       8.52803570       1.51217856      -2.91086941       1.72269014       4.07445070 
O       0.45463530       5.52976664       2.18978735       1.65429289       0.60320477      -0.91378703 
O       4.35667475       1.30328042       5.84121385       0.10014830       3.26271912       3.85112033 
O       0.87897628       1.23626660       3.60942795       1.53913408       0.41834708       1.20914200 
O       2.01214422       3.40020599       1.46391681      -1.61660558      -0.71649556       0.47999411 
O       1.22502737       1.39646571       8.55981171      -1.54023140       0.20638957       0.17265857 
O       4.13751566       3.66608766       4.13556194      -2.29696324      -0.00404112      -2.43018513 
O       5.64696662       4.02796344       1.12934286       2.35837375       0.14296612      -0.27449507 
O       3.46751475       1.13659415       3.80695581       0.25555478      -0.63109370      -2.06503732 
O       1.09000031       4.02171501       3.93951389       0.26589177      -4.64547668       1.02202840 
O       1.05771972       0.83276414       1.16337852       6.36028658       0.07947873      -1.32636621 
O       3.35566561       5.81008224       0.76520471       0.06021248       3.70997657       2.29303857 
O       4.13246091       1.28108758       1.27874524       0.47252204      -1.53602205       0.09777251 
O       8.77291191       1.02959128       4.54403501      -0.26019756      -0.85885366      -1.12225078 
O       0.95309770       8.89168905       6.63282709       0.24956747      -2.22654457      -0.14931343 
O       6.40543361       1.26438373       3.68143760      -0.41220262      -1.12332373       2.38727237 
O       6.44694675       8.94388043       9.25814954       1.87423889       0.92745700       2.04850812 
O       1.93364531       0.71447954       6.04200403      -1.76621221      -0.81237955       0.68732547 
O       3.84068554       6.71180440       8.78083566      -0.20678397      -1.49902148       1.59449489 
O       1.28393522       9.43308276       9.39334710      -0.18619261      -1.11895874       0.50543763 
O      10.06241557       2.12557313      10.34450614       0.61421491       4.02038836       0.85876095 
O       3.86391601       9.12682825       6.60067576      -2.86874278      -0.64366445      -0.81420751 
O       9.12884969       8.95814649       9.08068591      -1.29920923       0.35658014       0.40511091 
O       0.50384758       7.20622330       0.06162854       1.53302056       1.11441550       0.24129638 
O       1.30275994       8.93283074       3.91968494      -1.87495824       0.11460571      -1.44676868 
O       3.84882417       6.29874473       3.42815567      -3.47579600      -1.93981069       2.28459977 
O       4.30077457       8.70682414       0.91501727      -1.37065834      -0.92146413       0.94727569 
O       3.81572606       8.96972242       3.90546159       1.32819138      -0.20461789      -1.30076154 
O       1.08974556       4.14177582       9.22156431      -2.05135041      -1.24863770      -0.75677000 
O       9.04628320       3.99534008       1.01238412      -1.89569924      -1.47852599       0.88684207 
O       6.98393889       1.35955069       6.53913387      -1.19486999       0.41430335       1.81437290 
O       5.71918549       3.93095516       8.80107028       0.52894773       0.58856031      -1.15199304 
O       3.77602557       4.09084677       6.46717215      -0.67288930      -1.53756047       1.58591784 
O       1.05901449       3.34881883       6.56431848       0.92319968       1.45705922      -1.74231095 
O       8.32823060       4.10148326       9.07797244       1.27156166      -3.20869871       0.03783842 
O       8.87121810       3.96750899       6.64813788       4.01415675      -4.24774199      -3.60746489 
O       6.51344710       4.01825352       6.15675481      -4.29506190      -2.11896693      -3.62788326 
O       6.19931342       1.55265637       9.29091199       1.96328937      -2.32078966       1.58985144 
O       6.99482479       1.36570335       1.48947977       0.03658010       0.53415922      -2.66815217 
O       8.61373127       1.03386547       9.16786747       1.08205323      -3.32968394      -1.11039158 
O       6.50137936       9.11652919       1.51481876       2.67706905      -1.63906452       2.65756399 
O       9.00041298       9.03080494       6.48766309      -1.95659387      -0.92248574      -0.29719508 
O       1.30230654       6.38660952       7.98558124      -2.27853901       2.02540749      -0.13290899 
O       9.00794299       6.26198785       9.35801792      -0.32814842       3.23482974      -1.15080987 
O       8.82687983       6.31170848       1.41666611      -2.65793419       2.59421782      -0.01325407 
O       8.91277541       6.19283526       6.81022352       0.93503113       3.23050365      -0.60170627 
O       6.00576774       9.37507259       6.85929420       4.07246972       2.48375476      -0.95604843 
O       6.62194517       6.21490251       8.97852439      -1.00955745       2.30349522      -0.37439262 
O       3.76996888       6.51423164       6.29415425      -1.67992266       0.25684258      -0.88316546 
O       6.04328969       6.63112371       0.91755187       2.77396085      -1.35504457      -0.63860770 
O       9.37848237       6.61576540       4.21209142      -0.14510986      -0.59128774      -0.97471748 
O       9.65483087       0.87568121       2.02335980      -4.80879646      -0.10324818      -0.57015755 
O       9.22671222       9.03745098       3.75039343       1.59980139      -0.35619296      -1.15002148 
O       8.85083842       9.15890799       1.05618768       2.59286411      -0.42224996       1.26423473 
O       6.43336612       3.85383936       3.68772685       2.44058950       1.00732609      -2.33818612 
O       6.28948988       6.46826399       3.58570212       2.38164688      -0.33096278      -0.12146304 
O       6.98657031       9.17126710       4.19704197      -3.12564135       1.75048273      -0.61541888 
O       9.46526873       1.11264519       6.80476613       1.78064618      -0.07663607       1.51096277 
O       1.36218964       6.10966790       4.94921291      -3.48283418      -4.46378788      -0.58657452 
O       9.01986494       3.58128632       3.78413949      -0.07522396       0.18719436      -1.56934957 
O       3.90185525       9.38435778       9.07682304      -0.43662351      -1.74167279       0.44012570 
O       3.58542215       1.42170485       8.99441114       2.12059114       0.95130566      -1.84958846 
O       3.30240825       4.20444722       9.70446253       1.29043944      -1.57815319      -2.34343487 
O       6.15741743       6.83681332       6.12801986       2.11623278      -0.59786956       0.41434789 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02618853503120597 0.001947347838868178 -0.010142849214642593 0.001947347838868178 -0.027691428681468875 0.00654208968220141 -0.010142849214642593 0.00654208968220141 -0.03807422298394332" pbc="T T T" energy=-925.60199218 free_energy=-925.60632247 config_type=crystal 
Hf       0.23239841      10.21792195      10.46521482      -6.03016874       4.36216485      -4.36992275 
Hf       5.08811738       2.20942644       2.75686385       1.28443516       5.88769975      -1.07303526 
Hf      10.04282703       2.82867967       7.87105359      -0.29752312       2.23565577      -0.77888219 
Hf      10.46341473       9.90374223       5.01241599       0.25896410       2.34450012       2.57034657 
Hf       7.34931300       5.40205430       7.72955653       0.72728268      -4.81239993       0.95447392 
Hf       8.12976277       7.89581997       5.28683515      -1.85625896      -2.44318493       1.71594833 
Hf       7.85513942       2.72187179       0.09962964      -1.05564034       2.11595344       0.98346641 
Hf       7.81142116      10.22840867       2.56686339      -1.42034962      -4.03841970      -0.77288063 
Hf       2.19798039       2.05013684       5.65222955       2.53461260      -2.15052274      -0.85947637 
Hf       5.33598306       2.43654957       7.88892703      -0.80622796       2.68462014      -1.54139349 
Hf       5.09165695      10.12958273       4.85197427       0.52913744      -2.27797558       2.41436140 
Hf       2.06452033       2.63577285      10.09135566       2.07482499       3.23134639      -1.84247627 
Hf       2.12287756       0.40502519       2.78299932       2.72321171      -0.94479475       0.40680311 
Hf      10.38398821       2.61276260       2.40307877      -3.40303280       2.18134387      -0.62141049 
Hf       2.63244617      10.37952553       8.14797647      -4.44857003       4.68315572      -4.44707121 
Hf       7.46315490       0.00417089       8.00070301       1.15127286      -0.44311619      -1.44899690 
Hf       2.69221989       5.01225941       7.10327336       0.03886316      -1.07894347       0.12600230 
Hf       5.24642902       5.06177971       4.93392137       5.75313228       2.19667195      -3.03733480 
Hf       9.70753290       5.12132067       5.15470398       0.22394080      -1.70169723       0.36670248 
Hf       2.63205013       7.73190064       5.18010576      -0.73988031      -1.24810563      -3.38787163 
Hf       5.02031608       5.03062236      10.10858366      -1.30583603       1.85338016       3.26166606 
Hf       5.05655488       7.95707351       2.04551758      -0.17288116      -6.11383076       0.57122564 
Hf       5.11662616       8.08787317       7.72820231       2.36128519      -0.61555885      -1.31569251 
Hf       7.88335692       8.02280962      10.14261126       0.05464012      -2.28961130       0.91070187 
Hf       7.37090770       5.16700187       2.44599406      -0.03093153       1.75706079      -0.05640627 
Hf       2.44826125       4.76038413       2.42233323      -1.35444626       5.41622975      -0.21291252 
Hf      10.43391010       7.68738172       2.23877973       1.11985879      -1.80083218       0.64068105 
Hf      10.20768434       5.35255357      10.35147569      -1.47833476       0.96779479       1.31352661 
Hf       7.67318348       2.06110939       4.81188066       1.41325339       4.54083154       1.07318587 
Hf       0.31645205       7.69814579       7.79779835      -5.98394885      -3.59114569      -0.72063455 
Hf       4.83075667       0.05517278       0.25713371       4.54400095       0.42582942      -0.95928112 
Hf       2.63162865       7.49490736       9.82268747       0.52848959      -3.70462425       3.92863127 
O       1.21836249       9.87481124       1.44237737       1.52476715      -4.14374909       3.53628820 
O       0.97341437       6.88262388       0.66388383       1.44575406      -0.77337501       0.38118493 
O       3.51802338       1.34236634       7.19635126       1.82776037       1.13374215      -2.20074072 
O       0.80448959       1.46846333       3.98382056       1.87829891      -1.14664482      -0.20456306 
O       3.70902075       3.88162806       0.67364085      -1.21700777      -1.51200855      -0.56278880 
O       1.17672554       1.15023245       8.90928273      -1.02381269       0.05160894       2.82156122 
O       4.00856852       4.14266545       3.09353430       2.59139916      -2.74934335       2.69497439 
O       6.36065198       4.14849502       1.07481312       0.75686380      -1.95322191       0.63498875 
O       3.91865298       1.28125368       4.20446449      -2.12368243      -0.36251666       1.31258111 
O       1.16647212       4.23149816       4.20744034      -0.33370637      -0.77484804      -1.54081424 
O       1.78821715       1.63821348       1.24154565      -0.42726555      -2.39240992       3.21239429 
O       2.07674359       6.87174531       2.87080561      -1.22595046      -1.48910587       1.72204960 
O       4.03362837       0.76858362       1.89325729      -0.41987825      -1.19245389      -0.43034327 
O       8.97116288       0.71790753       5.13632763      -1.11462754       0.34440775       1.62223909 
O       1.75402062       8.41190494       6.80232196      -0.00915314       1.77441075      -0.05126090 
O       6.32659706       1.05313312       3.78430873       0.18460589      -2.75596848       2.10990248 
O       6.34804252       9.27711032       9.11138045      -3.37877317      -1.30618020       1.68712790 
O       1.24365312       0.50853884       6.69462141      -0.45797987       0.05656019      -4.41089603 
O       3.64451662       3.57018263       8.57177447      -0.39788288       1.23131121      -0.18898210 
O       0.83305384       8.72534816       9.49069971       4.18564347       0.40933875      -1.88942455 
O       1.26349662       3.72889972       1.21872075      -2.55478721       2.37221874       0.36206548 
O       3.76268839       9.10100499       6.23450235       4.05412161       0.98185161       0.40516949 
O       8.84802103       9.40835008       8.94906329       0.10659640       0.41595381      -0.28923908 
O       1.64196844       6.13983400       8.56002030      -0.04824762       0.94017026       1.16083240 
O       1.32252892       9.02926149       3.88525596       2.20789626       0.92910885       0.03140002 
O       3.57185973       5.90042031       5.49612858      -3.99844486       6.27061440       1.26526924 
O       3.97454165       8.87894321       0.48090462      -1.22882579       0.18238740       0.87033970 
O       3.95251354       8.69378681       3.89339919       1.32685031       2.49430960      -1.60943074 
O       0.49166053       3.84810713       9.29210995       6.96554539      -2.42867811       1.67403302 
O       9.02645645       4.00400233       1.44155222      -0.18818169      -0.56797418      -1.58428675 
O       6.16191790       0.91473479       6.53880890      -0.06868794       0.75996200      -0.46922752 
O       6.30284737       3.96681927       9.21995723       1.21096309      -2.81150858      -3.53734827 
O       4.15833670       3.95878918       5.91855488      -7.91950179      -6.48383492       2.89464549 
O       1.39767854       3.07604078       6.90118956      -1.11474541       4.36933344       1.57295674 
O       9.05228504       4.30874018       8.91152009      -4.95972612      -0.06148644       1.19668498 
O       8.74844434       3.84819452       6.57746183       1.55934841      -0.49734554      -1.80329514 
O       6.05543268       3.72847993       6.51828321       4.26775681      -0.90001343       2.15167007 
O       6.59807323       1.56973313       9.44609225      -0.96515475      -2.53030046      -1.61160213 
O       6.78393358       1.49369703       1.66469746      -1.06400432       0.00982227      -3.13433227 
O       9.72738341       1.75612307       0.46386345      -0.86176673      -0.64690599      -0.03335557 
O       6.59396399       8.96029248       1.26956482      -0.01620313       3.84385502       0.60445534 
O       9.58521306       8.96233443       6.46730937      -0.52042716      -1.49390019      -0.81208038 
O       0.84539862       6.23043152       6.24904441       0.66474433      -1.63428295      -0.87285117 
O       8.77465569       6.52803740       7.28117678       2.95924732       2.46041413      -2.99000550 
O       9.71979635       7.10631442       9.60525321      -2.19851244      -0.86753925      -1.67052047 
O       7.35564913       5.69427646       4.70418388       2.14410969       1.66774309       0.53596316 
O       6.72213287       8.86634462       6.71358512       0.51642910       1.54077744      -0.08733617 
O       7.10217587       6.21524318       9.53177149      -0.44245964       1.50688331      -2.13302399 
O       4.12519140       6.48091407       8.69450103       0.74319337      -0.75025018      -1.16741454 
O       6.43910850       6.66892438       1.13861225      -0.76412192      -0.08638514       1.90103870 
O       8.92333811       6.44846047       1.43926724       1.43084502       0.81954588       1.37956058 
O       8.80696066       1.23585036       2.92199171       2.86543950       3.48365593      -0.44504321 
O       9.42136658       9.00825447       3.47973572      -2.54568203       2.09799122       0.38815168 
O       9.14001273       9.19686010       0.86663747       0.82266270       0.63937634       2.81701295 
O       6.34144672       3.78797964       3.72641704      -0.24982306      -3.53858627      -0.60184871 
O       5.36451497       6.61705463       3.49171836      -0.36602753      -1.06574761      -0.24027907 
O       6.79054864       8.86255418       4.23269047      -0.98150150       2.81478457      -2.29781639 
O       8.85250852       1.40810947       7.87657964      -1.21594425      -1.09983179       0.77069779 
O       9.50836488       6.83454383       4.25253083       1.30041047      -0.07674983      -1.30147378 
O       8.85082628       3.73822553       3.75896640       1.66240799      -1.30392575       1.31960916 
O       3.84429042       6.48345662       0.77767550      -0.79278769       0.33018087       0.20272551 
O       3.44668335       8.83626141       8.61262520       2.81227294      -2.78712205       1.86629737 
O       3.62772569       1.02288622       9.62204550      -0.12780145       0.25756821       0.17139494 
O       6.18987940       6.59007988       6.80087700      -3.55375986       0.39266688      -1.00737680 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03845056488793323 0.0057000676713407205 -0.002989910361822701 0.0057000676713407205 -0.04016741883792192 0.0248294027222395 -0.002989910361822701 0.0248294027222395 -0.06443452426515398" pbc="T T T" energy=-923.61174676 free_energy=-923.61206567 config_type=crystal 
Hf       0.19972702      10.20289846      10.43344603      -0.54444842      -0.64199683       1.61725138 
Hf       5.09125505       2.09353211       2.62741507       0.49836621       4.75452567       1.84549070 
Hf      10.06075427       2.91314097       7.69118629      -1.11546525       0.65166522       2.71089506 
Hf      10.42721508       9.90354912       5.03179007       2.95804710       3.05330082       1.34602494 
Hf       7.43836937       5.33151504       7.85922218       1.29574455      -1.02013410      -4.20305467 
Hf       8.14070780       7.82406129       5.27017013      -1.94852710      -3.56663368       0.97966290 
Hf       7.92211567       2.73248043       0.32387656      -4.68305383      -2.95882629      -5.91444988 
Hf       7.93043347      10.14270179       2.62982931      -2.19903763       0.02165201      -2.87120836 
Hf       2.33458973       1.94948559       5.63485754      -1.37048520       4.01513188      -0.49477376 
Hf       5.35538980       2.38965409       7.90824774      -2.00349491       1.18557376      -0.06506154 
Hf       5.22959100      10.03628367       4.94724285       0.01830367       0.03274639      -0.83504292 
Hf       1.98029578       2.66086536      10.16393091       8.52140681      -6.27446757       4.35163180 
Hf       2.11115813       0.49229886       2.74827058       4.60216114     -10.36101825       5.27105477 
Hf      10.39436126       2.56308017       2.37536270      -2.86627266       3.07856341       2.32774655 
Hf       2.57199926      10.40189640       8.07147054      -0.00103378       0.58679731      -2.30592159 
Hf       7.44955857       0.05468317       8.08312852      -0.96304364       1.44051901      -1.15208609 
Hf       2.55083493       5.03547219       7.03690655       0.83455075       0.77651753       1.48534623 
Hf       5.25179085       5.07520073       4.85908919       0.94356061      -0.39767976       2.97487181 
Hf       9.74138739       5.08053703       5.15419804       0.02594284       1.17455931      -1.56489373 
Hf       2.57330105       7.77820301       5.08850003      -3.62280844       6.88026215      -5.59625968 
Hf       4.90796938       4.91921416      10.28488240      -0.01167324      -0.68653671      -0.49024359 
Hf       5.11256548       7.88130199       2.11447958      -1.55183952      -0.69831932      -2.19311566 
Hf       5.13857556       8.20303256       7.76112971       1.28389661      -4.54480611      -1.64182804 
Hf       7.77181099       8.03635351      10.10165995       4.18414354       2.50837511       2.22774487 
Hf       7.40982459       5.27924778       2.38358851       2.75143326      -3.86937897       3.53141150 
Hf       2.44176184       4.79596545       2.43764507       0.00171808       2.15347807       2.30106692 
Hf      10.46341892       7.73346210       2.24146860       2.56122034      -0.83118950       1.18145655 
Hf      10.22857372       5.43018702      10.32394697       0.59707213       0.59565686      -0.72530861 
Hf       7.70297678       2.03573880       4.83592969      -0.04469496       4.20399686      -0.29927982 
Hf       0.38959100       7.74121357       7.72677482      -4.94357698      -2.02621977      -0.92875901 
Hf       4.89359782       0.12218901       0.29867123       1.58830051       0.93242008      -2.65428343 
Hf       2.54002334       7.49348469       9.81663895       4.46103708      -1.51365603       3.22114769 
O       1.24857894       9.16194559       1.54892413      -0.21544612       3.15530275      -3.40711734 
O       1.22045322       6.73174994       0.61823038      -1.92291200      -1.21067437       2.03774887 
O       3.58487958       1.52121183       6.90102367       1.19776890      -2.54933412       3.84925276 
O       0.92632233       1.56318192       3.83297112      -0.95394444      -0.13664469       2.47119273 
O       3.78542924       3.36470820       0.60036635       0.11291015       1.38140797       0.09599294 
O       1.20742981       0.95638314       9.23650502      -0.52363858       1.92912558      -0.97579848 
O       4.07979248       3.91491319       3.22287340      -2.59134775       0.36678550      -0.18203026 
O       6.46545224       4.04089620       1.00852533      -2.52855072       0.60157778       1.08011578 
O       3.55716550       1.09634900       4.31435666       1.06669163       0.04663118      -1.25120095 
O       0.89758037       4.35044600       4.11360898       1.75343681      -1.14794784      -1.26508885 
O       1.43690261       1.48640167       1.50248288      -1.79828696       2.25425732      -6.95588973 
O       1.80078946       6.54467164       3.11572714       0.19099859       1.28073371       0.80963558 
O       3.88922024       0.69710387       1.89601158       0.65264123       0.59667984      -0.34671859 
O       8.89793957       0.82310969       5.63409675       0.62269290      -0.69731717      -0.78938925 
O       1.73883563       8.78312494       6.53324810      -0.42638654      -0.29755760       0.33550929 
O       6.29566400       0.91789328       3.95270162       0.61207704       2.55326095      -2.26671272 
O       5.85696161       9.49151430       9.40291373       3.42934165      -3.30856513      -4.53829955 
O       1.00633905       0.56635999       6.48020822       1.09083649       1.72392811       0.17378691 
O       3.43010845       3.82712041       8.25978144       2.41557452      -1.91085989       5.65920651 
O       1.30494654       9.01778959       9.15621880      -1.95282868       0.55150035       0.50598327 
O       1.16410487       3.73737002       1.38792048       0.16081704       2.57489652      -1.60043279 
O       4.06000968       9.62418333       6.32266188      -0.92140598      -2.86362791       2.63685166 
O       8.84573647       9.33453752       8.75696477       0.47103854      -0.38031433       1.79409545 
O       1.48059952       6.34256890       8.67691519      -0.51669913      -1.74573840      -1.97211346 
O       1.33593622       9.07694068       3.73164606      -0.48245203       0.77867938       3.18755647 
O       3.32927582       6.32790984       5.61211575       2.93785726      -6.15023032       1.26717139 
O       3.92525516       8.92266701       0.34266716       0.31840439      -0.69626230       2.75049248 
O       4.00220120       9.06295407       3.49085019       1.29066234      -1.52048031       0.99831487 
O       0.99102250       3.73913870       9.35250872      -7.45502263       6.50645297      -4.78700699 
O       8.68926793       3.97268453       1.35500690       5.15183291       3.09266876       1.53958144 
O       6.24764759       0.85643575       6.53416243       0.08211432       1.21565032       0.09179518 
O       6.64764963       3.92933666       9.15106346      -1.85359223       0.23057250       2.82072303 
O       3.71337929       3.72588525       6.09684587       1.12602463       1.05960185      -4.64925334 
O       1.37107534       3.41647811       6.90309169      -2.23230480      -1.11954483      -1.62167272 
O       9.04725153       4.43186016       8.87990243       1.18089874      -0.98742285       1.35441330 
O       8.87598483       3.93064410       6.55033763       0.37215465      -1.53107928      -0.97063288 
O       6.32686029       3.75265025       7.08375002      -0.24182579      -0.08280331      -4.89563620 
O       6.45709488       1.34056312       9.37259273      -0.97382915       0.01180636      -0.89662122 
O       6.47740286       1.49422494       1.30603806      -0.10229659      -1.46363676       1.08638011 
O       9.72899447       1.68189123       0.54859592      -0.53963582      -0.39079970      -0.88800696 
O       6.77469747       8.95107814       1.17828281      -1.78950878       1.22458927       2.55575895 
O       9.66176829       8.63259701       6.17047297       0.02047241       1.47642593      -0.47546479 
O       0.49667896       6.34618885       6.30925614       4.00550344      -1.31831059      -2.07485751 
O       8.97097156       6.82810879       7.23186224      -4.23611791      -1.82313895      -2.11740530 
O       9.70643552       6.93406965       9.29142818      -1.38886172       1.76228181       2.60956137 
O       7.41528083       5.58413760       5.22504092      -0.45983379       1.02016220      -0.19653775 
O       6.78318807       8.65123878       6.58605584      -0.23048381       2.17751546       0.98239992 
O       7.00792763       6.65379287       9.24680931      -3.69299171      -1.54845036      -1.23989453 
O       3.87306566       6.32388548       8.59673039       1.96907794       0.15265061       1.29309773 
O       6.43976411       6.45809377       1.41189739      -0.88477704       3.58597123      -4.03337585 
O       9.20116956       6.52139837       1.31108633      -1.79811999      -0.60451887      -0.53118629 
O       8.83007861       1.45499679       2.83945965      -2.54067315      -1.24223603       2.06121075 
O       9.30850389       9.18681108       3.52261291       0.24765719      -1.25538476       0.77940507 
O       9.21317848       9.33110597       1.02580524      -0.99005120      -0.59270208       0.43502488 
O       6.29454380       3.56082239       3.56275089       1.63691503      -0.19355094       1.88437102 
O       5.39206044       6.43330280       3.39526636      -0.75121871      -0.58432965       2.18376106 
O       6.85926280       9.18082766       4.08470269       0.58595097      -2.64050570      -0.76437135 
O       8.57120710       1.67131147       8.20190576       1.53575444      -0.11470199       0.19776361 
O       9.12190474       6.57453579       3.83002760       0.86037427       2.11728408      -0.06506185 
O       8.90364898       4.00592989       3.71541926      -0.28690916      -3.27293530       0.11202722 
O       3.84853132       6.44587919       0.78610927       0.81402808      -1.37727843       1.39313471 
O       3.46525353       8.67207196       8.47584243      -0.71717583       2.34711227      -0.62065951 
O       3.62451424       1.04714624       9.58081830       0.18284828      -0.20091651      -1.10473666 
O       5.49282723       6.42100522       6.55492130       0.54468538       0.41808776       1.02344275 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02849555146248705 -0.011161239184148755 0.0004373602204044844 -0.011161239184148755 -0.03515566625973825 -0.010999538990401927 0.0004373602204044844 -0.010999538990401927 -0.04616003425581879" pbc="T T T" energy=-921.35759198 free_energy=-921.35843756 config_type=crystal 
Hf       0.06783123      10.42010717      10.34133855      -7.37853866      -0.79153546       0.93034635 
Hf       5.05735513       2.34942568       2.27369801       2.12045444      -0.22425017      -0.24579112 
Hf      10.13216882       2.53820987       7.78162232      -0.40360803       0.07409674       1.24114107 
Hf      10.33063602      10.33558559       4.69215717      -3.60112064       4.39323709       1.65234267 
Hf       7.52863605       5.51265995       7.67907690      -0.85089100      -2.36385925       3.65960717 
Hf       7.82351056       7.59416367       5.34141753      -2.95150936      -3.45719265      -0.71243328 
Hf       7.75692659       2.60582958       0.06351727       1.17177977      -0.80460211      -2.38482472 
Hf       7.54929518      10.38020342       2.36005526      -1.07431003       1.40624981      -4.48606355 
Hf       2.96019135       2.36507359       4.96230298      -0.74708488       0.71278691       0.83848910 
Hf       5.26911618       3.16389374       7.77231766       0.71230523      -6.69772143       1.67009577 
Hf       5.35077839       0.00506522       5.26515211      -1.09233103      -0.29746605       0.61487565 
Hf       2.18289075       2.11125945       9.84086130       0.32915081       1.92054664      -0.58764079 
Hf       2.53425919      10.29554055       2.62075794      -1.43829032       1.74985150      -3.54166098 
Hf       0.03440345       2.72826360       2.37023374      -2.01942400      -1.29240922      -1.19275859 
Hf       2.11476207      10.15638834       7.37210817       2.82383847       1.55002515       0.35523701 
Hf       7.69543735      10.21144097       7.79997605      -1.99690674      -1.25928025       2.75737898 
Hf       2.48629929       5.17846644       8.13215723       2.89260751      -2.53327661      -1.77049771 
Hf       5.37557052       5.07216846       4.95053008      -3.09013756      -3.30108064       0.18516100 
Hf       0.37227844       4.60962564       4.84852136      -0.93571105       2.38769783       2.58796430 
Hf       2.07322224       7.79091096       4.89613117       3.73101538      -1.48908757      -0.82623052 
Hf       5.29973725       5.30334903       0.29045725      -0.47537108       0.80946923      -1.56190943 
Hf       5.23963018       7.79575273       2.96072617      -1.66755347      -0.45225834      -1.75465687 
Hf       4.91927602       7.77079545       8.00424938      -1.52197515       1.64373385       1.06248175 
Hf       7.73919307       7.88113746       0.08844211      -1.40154044       0.08306973      -1.29294600 
Hf       7.62260746       5.04349223       2.65043935       2.33145381      -1.27829175      -1.09198344 
Hf       2.88066634       4.91507488       2.21048761      -0.92575823       2.36249287      -1.91292545 
Hf      10.31072879       7.26907733       2.60938442      -0.24899944       1.25516749       0.27779683 
Hf      10.32375544       5.02568022      10.26110246       1.04519258      -1.12402584       0.61646805 
Hf       7.92099411       2.37293297       5.23542067      -1.23173021      -0.39831703       0.24152340 
Hf      10.26306770       7.71784349       7.66300605      -3.74347270      -3.85878390       2.16248810 
Hf       4.96326535       0.49305745      10.12926152       1.14060354      -4.99511743      -3.69364042 
Hf       2.26865759       7.91219653      10.28660179      -0.34255296      -0.59518841      -0.37923012 
O       0.62057805       8.68729599       0.92484273       1.91746653      -1.28114182       1.38306236 
O       1.64904149       6.06400063       0.69504914      -1.84447050      -1.41418547       1.92463894 
O       2.32941661       1.60277063       6.51076000      -0.36253990      -2.37094402       1.45338518 
O       1.32104418       1.01543208       3.77476219      -2.11730454      -0.92660325      -0.82215483 
O       3.95144358       3.69172514       0.83534636      -0.17935439       0.76783814       1.25852846 
O       0.75442002       1.17512652       8.79484394       1.67609782      -1.45241225       1.05664739 
O       4.34795955       3.66658083       3.54008466      -2.29751884       2.52647563       0.75095282 
O       6.40998620       3.71778567       1.54751035       1.02151875       1.69056325      -0.92782424 
O       3.38760092       0.56911459       4.22964523       4.68109270       1.83734957      -1.33543183 
O       1.32732422       3.32330873       3.80811944       3.64896496       1.21835495      -1.85088453 
O       1.32061789       0.78005824       0.92299816       2.99355850       1.22108248       2.54907079 
O       1.45345961       5.99106597       3.50855555       4.06030687      -1.70799833      -4.43139086 
O       3.88400525       1.10494625       1.40195764      -1.43540111      -0.95710383      -0.58248161 
O       9.36431030       3.20497892       6.10869748       3.66095653       3.99760287       0.39590853 
O       0.99902768       8.47006457       6.42193493       2.61535912       4.43405581      -1.36058515 
O       6.00187389       1.03254474       3.53935381       0.40814922      -0.17485109      -0.00164680 
O       6.47513651       9.54815151       9.74691082       1.04497201      -1.40095659       0.29945077 
O      10.24704028       0.94033490       6.52156552       0.16712655      -3.02588918      -1.77882933 
O       3.35913296       3.20127409       8.69951099       2.90514572       3.59551134      -1.26634905 
O       0.28786216       9.00018963       9.07692551       2.61959823      -1.27636063      -2.86271299 
O       1.20900623       3.22204563       0.57361202      -2.68303561       3.43634662       5.63251197 
O       3.52720276       9.66297326       5.84420530      -2.23286612      -2.07258709       1.41125862 
O       8.51145294       8.08952138       8.45182857      -2.48351100       2.06755083       2.15119637 
O       1.07175856       6.28417912       8.66082341      -1.74507098       2.59563146      -0.22221644 
O       0.68983143       9.02591775       3.51200081       2.24602523      -1.94256906       0.20431427 
O       4.38144877       6.63060082       4.28450298      -1.97690517      -2.25504648       1.28657488 
O       3.53818295       9.08799247       0.60885454       0.60902353       1.20649522       0.22609699 
O       3.35961357       8.70021201       3.11759630       0.52161629      -2.75532923       2.07164182 
O       1.09027986       3.74678343       8.76502427      -1.56341497       0.63730854      -0.51184333 
O       8.97343708       3.86165395       1.33420260      -0.53678451      -1.20571476      -3.28312539 
O       7.22583957       0.73713216       6.15009779      -1.78063820      -0.81106080      -0.71041710 
O       6.34243546       4.20175490       9.08840745      -0.63201779       0.06132305       4.14912543 
O       5.00019628       2.52517997       5.71727437      -1.54470718      -1.30143325       0.40103340 
O       1.96027446       4.01848765       6.31804314      -0.61103577       2.62941961      -1.65459610 
O       8.98861025       3.55543491       9.16108736       0.35305050      -1.97073759       0.61542472 
O       8.91854459       6.16141520       6.50070868       0.05892291       0.04703001      -0.81388997 
O       7.18455376       3.50576861       7.01085754       3.16472880      -0.06474851      -1.79642966 
O       6.66739401       1.57632746       8.66014311      -3.69372218       0.81619444       1.15570026 
O       6.37306898       1.29497487       0.84718394      -0.32272797       0.59416563       1.39593907 
O       8.98011755       1.12045642       1.04849000       0.51464586       1.69698913       1.11493457 
O       6.40673979       8.88742815       1.90962863      -0.82208495       1.30795416      -1.49626072 
O       8.67626775       8.88912399       6.18012385       4.72866630       5.58493755       3.41959675 
O       0.37210701       6.78526854       4.93170118      -2.97201683       0.28735751       3.37602615 
O       6.26255125       7.63346342       6.62221352       0.89558640      -2.20542712       1.23432877 
O       9.11109943       5.85345219       9.12164402      -2.17531817       1.46760313      -1.88002498 
O       5.42842462       4.70796522       6.84259475      -1.79115371       7.25760935      -1.13223920 
O       4.93479237       9.79443972       7.86162815       3.71506342       0.62354282      -1.88464129 
O       6.34338359       6.56579442       9.44467941      -0.59592135       1.31192587      -0.99307372 
O       3.56780366       6.05967662       9.76151191       1.37371782       0.25920387      -3.03617197 
O       6.44887609       6.54561706       1.66599956       1.48085484      -2.51178763      -0.86694220 
O       9.32718167       6.54592780       1.07595519      -1.12008144      -0.87378729       0.17190323 
O       9.65771651       2.15054035       4.04005650      -2.51100229      -2.12165565      -0.62572958 
O       8.38974496      10.20940728       3.93784485       4.08120654       1.11311753       3.49725244 
O       8.62700869       9.10308567       1.22257189       2.33472647       0.65916070      -0.69920615 
O       7.08532874       3.74117564       4.17420022      -1.02563436      -0.64840261      -1.88404303 
O       6.87511271       5.90221882       4.26371344       1.37539279       3.79597952       0.11178744 
O       6.16599898       8.72378430       4.46661831      -1.11513204       2.28817028       0.85986989 
O       8.77427796       0.77313736       8.97555335       2.44870081       0.15348857       0.35474895 
O       8.51752784       7.80053736       3.65707009       4.10283899      -1.90007918      -5.40525787 
O       9.58778952       4.53710063       3.21450860       1.17713634       2.36766345       2.95973829 
O       4.02401621       6.41705141       1.61461513      -0.04457232      -1.81277530       1.60305488 
O       3.09087672       8.83208728       8.52279998      -2.99823080      -2.33340595       1.07071862 
O       3.33229438       0.89196327       8.89790022       1.80138677      -2.46097750       0.64711465 
O       3.66251126       6.88183358       6.75626304      -2.41426566      -1.47458583       0.41647538 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01932830854474543 0.0015166735729714126 0.00047856137709533604 0.0015166735729714126 -0.013140590685618373 0.009445250800404141 0.00047856137709533604 0.009445250800404141 -0.041730088644419204" pbc="T T T" energy=-929.20046971 free_energy=-929.20052292 config_type=crystal 
Hf      10.06344576       0.04434749       0.18531087      -1.58386511      -0.29917782      -1.82747287 
Hf       5.09309385       2.48683631       2.74400121      -0.87006243      -0.61114402      -0.30726719 
Hf      10.09739927       2.52207161       7.36141695       0.26514831      -0.51643494       2.86209314 
Hf      10.21947336      10.40313560       5.07982522       3.13571347      -2.43312092       3.19994964 
Hf       7.70517813       5.22856458       7.75428125       6.48509925       2.72834294      -2.32075805 
Hf       7.97179411       7.31316546       4.99620290       0.25594827       1.77410056       0.56246034 
Hf       7.26167040       2.47089326       0.12136710       3.26670863      -1.43891577      -0.08451496 
Hf       7.45311855      10.45490456       3.06678604       0.80725993      -2.19240894      -4.07778095 
Hf       1.99007236       2.70338126       4.93322704       4.76318970       2.88519054       0.89305216 
Hf       5.43705568       2.77671656       7.84087953      -0.43445646      -2.86193510      -4.47496452 
Hf       5.11354324      10.23248117       5.16454660      -1.68939233       0.16580556      -0.14173312 
Hf       2.64568821       2.33188663      10.05687424      -2.64943088       0.21114211      -0.09397254 
Hf       2.40424439       0.24679928       2.29844147       2.17884251      -2.35470799       3.15766772 
Hf       0.05781497       2.60536519       2.31944828      -2.10926855       1.47690261      -2.43185025 
Hf       2.50168869       0.20566031       7.49332874      -2.97472315      -3.41662968      -4.49758001 
Hf       7.61894272      10.08140806       7.72404074       0.56516280       0.89853427       1.09799898 
Hf       2.87974573       4.97584907       8.05172961      -3.43984946      -0.93041078      -1.34030099 
Hf       5.07798851       4.64554616       5.17389449      -2.18678706       3.50943842       0.84617114 
Hf       0.30895113       5.54723347       5.00815656       0.48410475      -1.36979427       3.04210747 
Hf       2.39083310       7.91461747       4.72486824       4.61714270      -1.06284566       3.69674322 
Hf       5.08348755       5.14045665      10.24558255      -0.08015739       0.61796912       0.71588751 
Hf       5.17889136       7.51655910       2.75392547      -1.56874195       0.18749860      -1.29013434 
Hf       4.79322990       7.79954035       7.45222965       0.40226815      -0.25044129       1.30032139 
Hf       7.40457715       7.45028911       0.12475941       2.57308966       4.41337583      -3.09369574 
Hf       8.00662877       4.88550860       2.62909416      -2.43814243       0.52055807      -1.62756490 
Hf       2.55560354       5.20526294       2.29867800      -1.79412924      -4.17896769       1.69314125 
Hf       0.24438430       7.68398513       2.39015552      -2.73366261      -0.13963302       0.68801681 
Hf      10.24547705       5.34026761      10.22893617      -1.99931358      -1.69717809      -1.19281073 
Hf       7.82900259       2.40758761       5.21643184      -5.49764425      -5.05411511      -2.63710675 
Hf      10.44765714       7.64099563       7.83876965      -0.36627037       0.33121134      -4.74955272 
Hf       5.15748788      10.27418050      10.40800563       1.51402314       1.18065719       2.63646481 
Hf       2.21697989       7.85441924      10.02566634       2.44174122       1.71083624       0.95823614 
O       0.66456717       9.14109284       1.35914241       3.84097648       2.02899440      -1.15760227 
O       0.93593554       6.75658749       0.65947306       0.63867171      -1.37637088       1.98439298 
O       1.25134431       1.32463043       5.97816607      -1.75969823      -1.85337830       3.21766134 
O       1.17319550       1.58293383       3.55138272      -1.52530921      -3.30623104      -1.67973611 
O       3.41238729       4.44191253       0.88005262       1.65310824      -2.26981151      -4.61644740 
O       0.40061160       0.81633262       9.01434894       0.16464194       0.74206599      -2.16239320 
O       3.73410917       3.82262256       3.33490737       1.14806283       0.63501214       2.51921051 
O       5.84993471       3.80535333       1.30417330       1.17326386      -1.84301692      -0.25961112 
O       3.53019745       1.19743543       4.19327926      -0.37446373      -0.32045197      -0.24599666 
O       1.14379657       4.06930294       3.67291204      -0.86844748      -0.06263355       0.31240176 
O       1.30249630       1.16869074       0.99970568      -0.59362586       1.35548164      -0.28370805 
O       1.64013580       6.49412586       3.48244458      -5.40142054       1.94292981       2.45097936 
O       3.60628704       1.69942672       1.61882474       0.61015319      -0.26130075      -2.08677543 
O       0.62873446       3.87798310       6.12753779       4.18711598       0.45703314       0.22123426 
O       0.84521818       9.25105063       6.59582687      -0.45406164       1.55925567       0.27445824 
O       5.93108125       1.24923046       4.08788023       2.20859940       0.36466174      -1.15433763 
O       5.62813426       9.34844375       8.90309271       0.68145473       0.05724200      -2.74826343 
O       8.73887437       1.04893387       6.56631156       5.15319042      -0.40818550      -1.72277586 
O       4.14024106       3.44197670       9.11394864      -3.49462034       3.82581642       0.44704938 
O       3.04449586       8.53867605       8.20835713      -0.25329904      -0.59920462       2.42920154 
O       0.75420599       4.25462909       1.35836875      -0.83510866      -0.27640213      -1.40250998 
O       3.34697647       9.06595641       6.08062326       3.15175253       1.98377840      -1.46078610 
O       0.48439437       8.55944100       9.43997894       0.66637637       1.32263953       0.53716739 
O       1.00480952       5.86994640       8.69599173       1.44479945       1.85389248      -0.20454521 
O       1.42555589       9.17011415       3.81697793      -2.18728855       3.37803567      -2.92914293 
O       4.17361966       6.42141194       4.40650339       0.61815741      -0.47456269       0.91670562 
O       3.65113157       9.39839191       0.58335825      -3.52236155      -1.30085208       0.79360635 
O       4.11577789       9.05517769       3.27350165      -0.74852429       2.13210742       2.37182619 
O       1.37005080       3.40945309       8.70139438       3.37095225      -1.45471013       1.53169933 
O       8.31366113       4.04306344       0.40332465       0.56439407       3.26848802       1.31186235 
O       6.61371151       0.72727332       6.29303175      -2.97318993       0.62173539       0.66223395 
O       6.47658524       4.39042594       8.76562252      -3.64385283      -2.80329877       4.48618100 
O       3.88115185       1.60223853       7.19495894       0.87401692      -2.19030419      -0.48677799 
O       3.52138763       3.67803169       6.24604176       0.31853659       0.77999181      -1.20747679 
O       9.52984089       4.13218868       8.29514757      -2.62013314       0.71713433       0.55530339 
O       9.55320972       6.34946697       6.37607414      -2.34208279      -0.77029308      -1.05180123 
O       9.09733816       3.51715699       5.58032676       3.25235042       4.00046191       1.63779075 
O       8.27775034       1.52957118       8.61268831      -2.35606259       0.79707094       3.27909663 
O       6.32816490       0.92417048       1.62815284       0.27486425       2.02320355      -2.46853788 
O       9.49043377       2.02767700       0.64976200      -1.18583563      -2.19670357       0.97089662 
O       6.19123550       8.70160789       1.48404824       0.93508539       1.21817963      -2.74959548 
O       8.84944129       8.71200868       7.03818029      -1.60568461       0.34966012       0.06829482 
O       1.44767484       6.89831690       6.22990340       0.78427059      -1.80639599      -1.32149009 
O       6.84454366       6.20562684       6.29808379      -0.26294883       0.41447472      -1.51374161 
O       8.92703016       6.62128444       8.99452470      -1.61178032      -1.06173571       0.42418888 
O       6.64337074       3.53869894       6.41588003      -1.45589863       1.17267439       1.68143175 
O       6.05313996       8.87727228       6.30692144      -0.13683123      -1.64122885       1.18710434 
O       5.85797903       6.93400978       8.99056000       1.87217012      -1.13794166       0.36404309 
O       3.48339763       6.25737267       9.57050145      -0.31920891      -0.70375566      -0.84117357 
O       6.20769643       6.29355851       0.91945127      -2.75208086      -3.00724979       2.64193314 
O       8.98684219       6.53425338       1.08215777       0.07743683      -0.19499809       2.00116506 
O       8.78116326       0.80770198       4.18139280      -0.43786160       1.65197366      -0.64599271 
O       9.53513627       8.70254932       4.51690400      -1.10119248      -2.11864475      -1.17152450 
O       9.06775314       9.87230354       1.97322733      -1.71642591       0.56300517       0.17753775 
O       6.64317491       3.91830048       4.13403785      -1.07347110       0.37507529      -2.51180440 
O       6.71985071       6.51117677       3.39933939       3.21823411      -2.77385370       1.53853810 
O       6.83340281       8.84250168       3.90939102      -0.92479556       0.30149282       1.97558782 
O       8.17530560       9.21886120       9.80901956       0.14516494       1.48339766      -0.38323940 
O       9.27890381       6.19784606       3.73615165      -0.28058635      -1.29571959      -0.88617077 
O       8.55472472       2.97674668       3.07957239       1.59212197       1.46270813      -1.10910706 
O       3.29365777       6.87954912       2.07968156       3.39447989       3.13037696      -2.96478924 
O       2.81887159       0.52835262       9.25237241       2.46434900       2.07289431       5.08638926 
O       5.64651971       1.85590301       9.46348885       1.18918687      -3.78134247       3.27104017 
O       4.43557776       5.70409491       6.98311196      -0.22770998       1.55135926       1.00741081 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04114828718888769 0.010630893191722699 0.003985876692428142 0.010630893191722699 -0.032443101419146615 -0.001587168647318212 0.003985876692428142 -0.001587168647318212 -0.04007893255110467" pbc="T T T" energy=-926.79049247 free_energy=-926.79102599 config_type=crystal 
Hf      10.03421544       0.07224441       0.18729401      -1.49534542      -1.44938210      -4.50680571 
Hf       5.05954926       2.48934841       2.70505889      -2.42291926       0.05889463      -2.21354471 
Hf      10.05444420       2.55736992       7.35116876       0.89557979       0.16165059       2.80950965 
Hf      10.25311413      10.40486085       5.07328866      -1.12420146      -2.43692738       1.07923514 
Hf       7.74267078       5.14710007       7.78977632       1.33377292       1.53381405      -2.48691643 
Hf       7.95061000       7.31240876       5.03808612      -0.71717803       0.89155772      -0.42141396 
Hf       7.25525001       2.42598656       0.14838748       2.85582329      -2.36363208      -0.82313872 
Hf       7.38100423       0.03186319       3.03456762      -2.25634971      -4.31665529      -2.18775253 
Hf       1.96172812       2.73577708       5.04427238       4.08435597       0.36770677      -2.37703506 
Hf       5.46768679       2.76517203       7.82411729      -2.18752689      -5.19579375      -0.76257860 
Hf       5.23425526      10.18348983       5.24721168      -3.03821290       0.39468279      -2.14631295 
Hf       2.54474402       2.40602877      10.07726858      -2.58610601       3.81571713       7.18547572 
Hf       2.41974724       0.26030193       2.26889654       2.75445719      -0.43899112       1.42338838 
Hf       0.03042273       2.60256318       2.26036125      -0.83998053      -0.45737238      -0.69517279 
Hf       2.48563301       0.22787011       7.51885308      -0.69710369      -1.52206431       1.00398325 
Hf       7.61594509      10.09527641       7.73253280      -1.33118541       2.19619263       2.79043183 
Hf       2.88614916       4.94081294       8.00971671      -1.81431700      -0.32418808      -0.08512108 
Hf       5.12682505       4.71288391       5.18197931      -2.32052208       3.05266292       1.34641062 
Hf       0.31345808       5.48488244       4.94545512      -1.02326486      -0.08003412       5.96125437 
Hf       2.39622257       7.89666072       4.69928194       3.61565829      -0.13727312       4.22610962 
Hf       5.11505424       5.13950486      10.23111648      -2.48854842      -0.49413602       0.27956695 
Hf       5.14365115       7.48233725       2.78351436       5.12141859       1.29966804       1.02679208 
Hf       4.86505775       7.79518494       7.40681618      -3.18452019      -3.52509809       4.03388678 
Hf       7.43328248       7.44582046       0.10477870      -0.19225397       3.70716615      -1.85688618 
Hf       7.99986697       4.89589055       2.63171186      -2.30275349       2.57193139      -2.11494089 
Hf       2.56695256       5.21572381       2.31107825       1.06989215      -6.63672585      -0.52982115 
Hf       0.22461459       7.64980597       2.38358411      -2.05801985       1.90781807      -0.13045764 
Hf      10.33869677       5.35340604      10.18863240      -4.07384371      -4.66435806      -2.99611009 
Hf       7.77899258       2.31421089       5.19950339      -1.28478502       1.65123357       0.98994749 
Hf      10.42434483       7.64273605       7.92012813      -1.09493020       2.86163639      -5.26398258 
Hf       5.15737819      10.21885303      10.36686509      -1.30045544       0.97471194       1.64242938 
Hf       2.25251484       7.90253320      10.02918780       3.57606265       1.41838051      -0.10124090 
O       0.54274270       9.35992957       1.29313596       2.51516332      -3.89986596       2.78312548 
O       0.85023170       6.57895714       0.68808064       3.83054752       2.70595683       3.75974242 
O       1.11029092       1.17877514       6.00271925       0.55668137       1.04458469       2.14002716 
O       1.06118215       1.52619458       3.51914651      -1.92556557      -1.52288161       1.24447020 
O       3.48883995       4.38343798       0.69262360      -0.80658011       1.54439357       1.94019236 
O       0.36669305       0.88664916       8.82544031       0.73223480       0.60454199      -0.79450364 
O       3.75075566       3.81467013       3.44744655      -0.00614834       1.53179056       0.21748353 
O       5.96779961       3.58716100       1.13148340      -0.69666161       0.31679615       1.11570853 
O       3.30810867       1.31900422       4.10249649       1.43698835      -1.32034697      -0.85253385 
O       1.17137313       4.16882310       3.77203805       0.35096695      -4.03285855      -1.33106330 
O       1.33367291       1.33618051       1.14115888      -2.01781554       0.26406205      -2.15251604 
O       1.65765528       6.24521974       3.75943120      -0.31219253       6.08815931      -1.99928350 
O       3.75339210       1.64451696       1.19059305       1.34940527      -0.97146024       3.00156406 
O       0.67760283       3.89373976       6.04186587       3.82555306      -1.59447321       3.91024859 
O       0.63225550       9.22929967       6.66479473       0.78758977       2.04241375      -1.38053675 
O       5.91264462       1.26068624       3.97362910       1.40231724       0.39599624       1.16274381 
O       5.66453006       9.28861278       8.68859181       0.62595828       1.57916697       1.71081421 
O       8.82321592       1.11588667       6.59466156       2.51179315      -0.49368656      -1.45309572 
O       3.98821584       3.36666339       9.24587980       2.53520885       3.67556577      -4.51336144 
O       3.02570024       8.75859153       8.22589775      -0.72841212      -0.47457469       4.16068845 
O       1.12518945       3.95822003       1.46494596      -1.51616704       1.73822268      -3.30915249 
O       3.44513561       9.05666441       6.20430203       0.95612514       1.48439592      -4.21663070 
O       0.54858106       8.57771257       9.56396803      -1.08657518       0.66293231      -1.77359992 
O       1.15180395       6.21750388       8.40997267       0.95717272      -2.36538979       3.41464106 
O       1.51719333       9.13828078       3.45664382      -1.36221225      -0.70937697       1.03187726 
O       4.20412884       6.40321059       4.64669860      -0.56300647       2.24860217      -1.51450007 
O       3.34090712       9.30809194       0.79464697      -0.10239015       0.16821147      -1.32524121 
O       4.25669805       9.06932998       3.35880066      -1.35915896       1.77073698       2.22251778 
O       1.54578039       3.46773653       8.88465754      -2.51733397       2.61040620      -2.77449813 
O       8.35896700       4.10823144       0.56706133       1.37122395       1.60880309       0.07433352 
O       6.55484667       0.80223392       6.33155909      -0.97278445       1.01008565       0.10269420 
O       6.21870132       4.21206934       8.82836121       3.80000920       2.37442542       1.17185355 
O       3.98291796       1.63707266       7.22559969      -1.86236123      -3.78585088      -1.70097813 
O       3.68827035       3.69334039       6.14688383      -1.77592599      -0.73107569      -0.26637603 
O       9.56472327       4.26857583       8.34324604      -1.72567063      -0.30736267       0.42407014 
O       9.30223485       6.32568588       6.05839190      -0.01576357      -0.89947914       3.14175689 
O       9.11724393       3.65705240       5.79508847      -3.29029507      -1.43802406      -0.17341273 
O       8.02464403       1.70516900       8.83820928       0.24440788       0.84595107      -0.52789946 
O       6.23069716       0.74412589       1.53987243       0.61360677       2.93495372      -1.92167842 
O       9.33165010       1.68841670       0.78513790      -2.14437672       3.75189280       1.13341455 
O       6.25506802       8.82123153       1.32980659       0.12094173      -1.19633251      -1.48394499 
O       8.72375803       8.84710199       7.00079461       0.08643010      -2.25145358      -0.40650560 
O       1.33904134       6.89817550       6.23444259       1.00752352      -0.17969977      -2.88941404 
O       6.75161469       6.42397197       6.30191818      -0.93242607      -2.14107241       3.15870473 
O       9.03708801       6.55365457       9.01748618      -2.23284067      -0.23376582       0.55395799 
O       6.61641137       3.55014896       6.33340627      -1.21076061       1.75307315       1.80206722 
O       5.91387021       8.88557857       6.44100467       4.38762596       1.15616141      -2.06850030 
O       5.82101053       6.87582253       9.09368399       3.30819639      -0.83794310      -0.69930103 
O       3.52696204       6.39667633       9.42113193      -0.80257416      -1.45567920       0.00350382 
O       6.06544999       6.35843252       0.89919708       0.32122629      -0.94617015       3.95219110 
O       8.87917922       6.48061442       1.14283818       0.71969088       0.82494039       0.90754857 
O       8.64171956       1.06565299       4.05290596       3.08160745      -1.34303957       1.16898031 
O       9.28437711       8.63970503       4.60933677       3.63126507       2.81255649      -2.30451965 
O       8.90631755      10.16010949       2.10292469       2.31814810      -2.05247363      -2.55272166 
O       6.37346984       4.07959498       3.87314385       1.99965323      -3.05963845      -2.61877898 
O       6.78743191       6.40875516       3.68549514       0.71249838      -0.82527535      -2.01652339 
O       6.77082655       8.82058870       4.04839021      -1.22627046       2.44180416       0.50162584 
O       8.33468730       9.37222809       9.65813756      -0.27401871      -0.03836915       0.82602811 
O       9.57106767       6.13830144       3.59767304      -2.68057167       0.51742721      -3.35157347 
O       8.72404774       3.22607281       3.05359015       0.64226100      -0.27772411       1.07989044 
O       3.55288106       6.83173931       2.12176971      -2.45369507       0.28717634      -2.60691539 
O       3.09687040       0.93205425       9.36298622       1.78898851      -8.03909712      -3.70445175 
O       5.68945615       1.63012970       9.49027772       0.09352373      -1.86752106       0.85285899 
O       4.37067162       5.69510790       6.96661451       0.42802458       1.79597212       1.88382523 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016257337794003093 -0.005647544972589829 0.00663264709523341 -0.005647544972589829 -0.040534696697529043 -0.002895699887121958 0.00663264709523341 -0.002895699887121958 -0.03292669614892935" pbc="T T T" energy=-915.00173805 free_energy=-915.01602641 config_type=crystal 
Hf       0.50817514       0.30426709      10.46056709      -5.53985325      -1.58744099       0.71149967 
Hf       5.11899519       2.49551981       2.40823086       2.78180326       2.97153877       1.18520678 
Hf      10.18463682       2.53541016       7.80651963      -0.77930405       1.23830666      -4.46230159 
Hf      10.36405648      10.44889707       4.79334356      -1.33343354      -1.16059747       4.19069629 
Hf       7.51796848       4.99365846       7.70218187       2.38943308      -2.90090529      -2.76276672 
Hf       7.89205559       7.63597593       4.88588371      -2.34836815      -0.59320185      -0.88051504 
Hf       7.65633960       2.27207753      10.39140121      -1.49143596      -0.22070876      -0.46174894 
Hf       7.52250663       0.20982680       2.64969415       1.68365167      -1.93246815      -0.27103761 
Hf       2.46218004       2.51755639       5.51619313       2.13474375       1.79305922       1.85986287 
Hf       5.07919830       1.38860790       8.35021935       2.46820348       4.08995325      -5.60831091 
Hf       4.71992589      10.20376265       5.30342104       3.13748616       1.11371761       3.37607717 
Hf       2.55713432       2.84948952      10.41830656       2.82947301      -1.75930713      -1.84015580 
Hf       2.44248883      10.15692013       2.62746530       2.58799895      -4.77155112      -1.03362382 
Hf       0.12067508       2.42806326       2.75626843      -2.06805140       1.22400806       0.80994491 
Hf       2.13002807      10.18465713       7.99441942       1.26686850       1.33909326      -3.57710541 
Hf       8.18349404       0.00086650       7.41407481      -4.22446354       0.99269834       3.16727265 
Hf       2.05264402       4.96637454       8.06998109       1.98031003       3.01963900      -3.06860579 
Hf       4.79182460       5.13212744       4.82183339       1.66087856      -2.09850263       2.84996765 
Hf       0.01035861       5.46851310       5.16948832       4.73123756      -6.32944501      -0.94102332 
Hf       2.36477153       7.59590912       5.25478042       1.63487680      -0.01035039       1.44034990 
Hf       5.13316516       4.94890489      10.21004949      -3.76732130      -2.14508430       2.00881991 
Hf       5.43403450       7.52213298       2.50131149      -1.25890563      -3.00452386      -1.04822680 
Hf       5.48721421       7.49212126       7.56801952      -3.02728915       4.61135880       4.28779100 
Hf       7.77161726       8.04544131      10.15680207      -1.37141677       1.48923175       4.48160621 
Hf       8.41698911       5.28948927       2.41163960      -1.99729950      -1.87529359       0.03979271 
Hf       2.33927032       5.62773686       1.75338396       5.25936272       3.26043032       5.70421886 
Hf      10.21311033       8.20635516       2.48807520      -3.69158908      -3.44042385      -1.42172603 
Hf       0.02878938       4.87888245      10.26481503      -4.13857630       3.73112185      -0.02783060 
Hf       7.49993595       2.62187091       5.13340903      -1.03484775      -0.49797347      -0.45196153 
Hf       9.77157924       7.80506535       7.39638818       4.96113978       4.04800223       5.73410563 
Hf       5.05820488      10.13705863       0.20390921       0.83456303      -3.55366418      -1.61863910 
Hf       2.70066790       7.77434213       9.90465435       0.76068288      -0.56945827       0.09543299 
O       0.94401984       9.19433000       1.43533237       4.15979933       1.36150596       1.01609569 
O       1.53178876       6.17453270       3.98152208      -0.24344896      -1.95912915       0.19359823 
O       3.91951361       1.70598505       6.82307392      -2.89985881      -0.88866775      -1.44510022 
O       1.26794465       0.89765217       3.49527603      -4.57474013      -0.57019556       3.32694969 
O       1.44223367       4.24057885       0.94034474      -2.37400365      -6.23012697      -0.60713366 
O       1.77968479       1.39481928       9.16985532      -1.15305415      -2.45674188       0.22737127 
O       4.21208797       3.24941369       4.45820505      -0.70857496      -0.00391609      -1.41396882 
O       3.77430105       3.87727287       1.17539916      -0.92015224      -0.02522479       3.05326791 
O       3.65043117       0.71255543       3.97353658      -0.25777518       0.03644566      -2.22809061 
O       1.57204438       3.22629469       3.84715240      -0.52556695       0.50475145      -0.68821475 
O       1.69760843       1.22181519       1.22399415       1.77065872       1.71383555       0.97692780 
O       3.90033462       6.70959394       0.96941398       0.50521244       1.54771293       1.54969296 
O       4.49085928       1.50843982      10.11333897      -4.25283662      -1.32628641       5.40892751 
O       8.91230066       1.22217606       3.69365438       3.25907329       1.00155289       0.53605280 
O       0.76096548       9.24666006       6.72553355      -0.56907169      -1.86501538       0.44280273 
O       6.35446730       1.33162195       3.72024972      -1.13356939      -3.13138497       1.03370450 
O       5.59615887       8.13661520       9.70091774       2.38335760       1.21451370       0.25140015 
O       1.19436475       1.14124575       6.68004629       0.56716216       1.68615815      -1.29008441 
O       2.93035211       5.77807409       9.84448794      -1.39131311      -2.19800918      -1.80798711 
O       1.06879118       9.20595586       9.42639747       2.47430823       1.38843684      -0.81522614 
O       8.71168590       3.87105594       0.82512046       1.55015693       2.79031383      -0.20573090 
O       3.22184415       9.60034237       6.42646083       1.08275123      -1.23482264      -3.62197291 
O       8.93971174       8.89097306       8.84024872       0.78261486       3.78456668      -1.68445619 
O       0.22497285       6.05684520       1.67625853      -0.18944609       1.21797569      -0.90141282 
O       0.85813106       8.42946115       4.28496673      -4.65955194       5.28386500      -1.59530671 
O       4.04876564       5.83977517       3.25757534       0.17499472       0.64857855      -1.44164962 
O       3.52755421       8.98796616       1.15546136       1.57565377       3.92508664      -1.39470802 
O       2.94152865       8.10255819       3.39204916       2.84943999       3.01438336      -0.75671315 
O       1.11045053       3.56137302       8.91420226      -0.64028686      -0.79170212       4.96236825 
O       5.73541951       2.95326210       0.41703233       4.53403960       2.67134687       0.55788066 
O       6.13377303       1.47640058       6.40168095       3.63881998      -1.13670040      -0.95481839 
O       7.25418979       3.14652770       8.64049512      -0.09036775       1.02354952       0.72288293 
O       2.84959983       4.24161919       6.59056059       3.15286812      -2.16755836      -2.98757694 
O       0.50777554       3.93830463       6.65058101       1.33962642       0.45923633      -2.04901179 
O       9.50383186       4.57389686       8.61311606      -1.98830755       0.57667798       0.01553321 
O       8.66580972       3.64138136       6.34345706       0.37556362       0.11959887       2.44648940 
O       6.38162321       3.99469306       5.79552805      -1.65208336       3.51968231       1.16623561 
O       6.90058001       0.52990140       9.07587439      -0.67924205      -0.04883247       1.43254623 
O       6.26758057       0.90355207       1.33273974      -0.26626438       1.42699772      -0.67642685 
O       9.37224766       1.02760501       8.86238160       0.75666986       0.35951697       1.57861384 
O       6.60515089       9.02889811       1.36872358      -1.58016250      -0.81622865       1.54941774 
O       8.94414156       9.25967373       6.07605780      -1.13120536      -4.54106371       0.23767258 
O       0.78777716       7.00172578       9.45734561      -1.37563891      -3.78352615      -0.61196457 
O       7.84009499       7.04692742       8.51353373       2.22023920      -2.71845401      -2.94684535 
O       8.23202540       7.04725763       1.58134015       1.36304916       0.74100779      -2.42837490 
O       9.27705370       6.51782500       6.19335836      -4.58229786      -0.90298335      -0.32250585 
O       6.07129986       9.47764177       6.75227427       1.02971061      -2.13860965       1.12754016 
O       6.13269626       5.78590197       8.79497655      -3.13784590      -0.91363086      -1.06182747 
O       3.96345428       6.62362646       6.02823291       1.59853112      -0.04863152      -0.57993073 
O       6.00740884       5.36252262       1.30871343       2.40525452       2.22654676       0.90378334 
O       9.43738991       6.54379918       3.87425023      -2.56089441       1.60937987      -1.36429858 
O       9.36491535       1.60630266       1.13714656       0.83314666      -0.88293779      -0.26887663 
O       8.67234848       9.30582591       3.84257103       0.79327370      -1.97724185      -2.02230512 
O       9.28634758       9.37171273       0.95769372      -2.13169265       0.02453231      -0.02203572 
O       6.70923233       3.47047093       3.18646620       0.01911929       0.89860904      -1.00861029 
O       6.87349202       6.11018766       3.35270567      -1.45516615       3.15908848       3.89594685 
O       5.89842084       8.63823777       4.31932005       0.20158229      -0.48389126      -2.12053618 
O       9.30597809       1.10086663       6.29485057      -0.21836085       1.63832622      -1.26703154 
O       1.53387080       6.33600367       6.60935276      -3.62460865       1.18881840       0.19453324 
O       9.46735653       3.78828547       4.00650207       0.42550161       1.14586309      -2.57305765 
O       3.61588821       7.87001859       8.17753700      -2.99157161      -0.52926025       1.55214754 
O       4.28275690      10.19604854       8.71005097      -2.36641183      -2.83771733       0.68255927 
O       3.78999010       3.50433359       9.06185292       0.03395087       1.16904824      -1.19608031 
O       6.41693492       6.66680414       6.26883536       5.42875613      -2.86450095      -5.03602444 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.009904050042920212 0.0028122892080088956 0.012715723114114237 0.0028122892080088956 0.001997431642962094 0.010268039863036805 0.012715723114114237 0.010268039863036805 0.01516855443681681" pbc="T T T" energy=-934.35117517 free_energy=-934.3513752 config_type=crystal 
Hf       0.36129595       0.21315065      10.26962938      -2.37158594      -0.08725487       0.72421859 
Hf       5.21022371       2.60177738       2.38960416      -1.44837932      -3.23495681       3.66476178 
Hf      10.27608629       2.61118921       7.74628392      -2.88876974      -0.04631850      -0.94309570 
Hf      10.09659703      10.17702046       5.08114020       3.55170674       2.99177145       2.24466688 
Hf       7.28621740       4.96317115       7.66643749       1.44332212      -1.94759221       0.83390724 
Hf       7.89200703       7.77180021       4.79958591      -0.96964313      -1.10800436       2.76311957 
Hf       7.46923890       2.35217326      10.27240355       2.19504073       0.09378315       0.56634044 
Hf       7.73328093       0.15030719       2.66086284      -2.99605173       0.28734368       0.27247530 
Hf       2.45052038       2.56777008       5.60401376       2.22421001      -1.33965326      -0.42403173 
Hf       5.23404803       1.66806936       8.12286146      -4.36725159      -0.37331139      -0.13872931 
Hf       4.91401005      10.08853816       5.25197642       1.56175170       2.11445709      -3.30774047 
Hf       2.50943860       2.71052863      10.42373978       1.76404923      -1.15290601       0.25560204 
Hf       2.34515976      10.13929683       2.42213228       3.54318069      -1.52202568       3.56693539 
Hf       0.09963425       2.46203236       2.90627462       1.20498759       0.78406564      -1.60200722 
Hf       2.12746322      10.13541585       7.64586817       2.30540996       1.07458606      -1.39203471 
Hf       7.90367883       0.06366516       7.58613934       0.86112062      -2.69809573       4.93860103 
Hf       2.16126768       5.00098731       7.90000038       1.19687218       2.46406516      -0.35833109 
Hf       4.65912679       5.05990595       5.12614046       3.97297450      -1.04637948      -2.71375650 
Hf       0.17998996       5.38306233       5.11189209       2.06433975      -1.40402211      -2.01596197 
Hf       2.34326988       7.80367366       5.24701753       0.76804017       0.72617524      -0.99538414 
Hf       5.07756630       4.78227639      10.36330825      -1.36505341       2.69804524      -1.98013743 
Hf       5.42294609       7.29759008       2.62009187      -2.96581279       2.52517349      -1.62305212 
Hf       5.39082888       7.45264819       7.44700712      -2.40043424       2.12306986       2.02738934 
Hf       7.63710105       8.19783180      10.45573464       1.18394670      -4.29788833      -2.80294524 
Hf       8.18809635       5.42344260       2.39375077       0.95278053      -3.22302538      -2.47372373 
Hf       2.67863414       5.53896088       2.14620295       0.02861163       0.85808076       0.34205248 
Hf      10.15847478       8.22439480       2.24403690      -0.03232071       0.12776552      -1.16805916 
Hf       0.15754729       5.02193112      10.40029873      -4.12265908      -0.04680153      -0.50265112 
Hf       7.70304439       2.68107580       5.04457485      -3.50992604      -0.80317713      -0.73359224 
Hf       9.78536563       7.70031700       7.66897827       1.37896563      -1.23466407       2.78470425 
Hf       5.03507018      10.04443255       0.06931806       0.55498798       1.94681678      -0.09594543 
Hf       2.73185759       7.67705252       9.94157388      -1.27146683      -0.74503718       1.33379897 
O       0.97333860       8.99187015       0.83948082      -1.37218380       1.09410264       3.52047503 
O       1.98613529       5.93129256       4.03706872      -1.58462478       1.16866079       0.21614590 
O       3.70106016       1.18729808       6.59279220       2.72819608       2.56334384       0.86027259 
O       0.99734555       0.94962418       3.92503809      -0.64255831      -1.26307948      -1.21562409 
O       0.98544946       3.73597320       1.33384435       2.08268442       0.67888028      -1.09463838 
O       1.56797805       1.27811319       8.89437415      -0.91783075      -0.77220061       1.91959681 
O       4.13782473       3.10148379       3.92389958      -0.58264362       0.79091426       2.36796549 
O       3.72380938       4.00289793       1.45456380       0.35295044      -2.41466105      -2.31996067 
O       4.18781434       0.26468455       3.41106279      -1.31550995       1.62108858      -0.62985307 
O       1.50100965       3.36299551       4.23453619      -2.54815651       1.08811732      -4.54912482 
O       1.78065972       1.13307751       1.28930763      -0.60655713       1.75171025      -2.07793728 
O       3.91367065       6.98911433       1.11280710       0.55652185      -0.63244603       0.95283398 
O       4.31373068       1.50122390       0.48533339      -1.42037384       2.11092017      -0.20057075 
O       8.91804032       1.48231618       3.78359776       0.89679261      -0.06920220      -0.76479754 
O       0.84751017       8.89279501       6.45971834      -1.50783713       1.26427794      -0.91654119 
O       6.48074190       1.20971302       4.47515978      -0.28271594      -0.30007285      -1.32541041 
O       5.92539025       8.47000679       9.33537283      -1.07349212      -0.94748531      -2.05066509 
O       1.07660326       1.20256429       6.35297670      -0.62555267      -1.10846092       1.69942599 
O       3.09888954       5.53083932       9.95830378      -1.17393527      -0.71067528      -2.48973596 
O       1.23764772       8.95457040       9.11989554       0.70403393       1.11609577      -2.17894828 
O       8.80485549       4.35016593       0.76042385      -0.43131938      -0.71849763       1.14103664 
O       3.11840073       9.72964097       5.87181639      -1.34796390      -3.83922592      -0.16931206 
O       9.00512225       9.03077197       9.18950718       1.29806051       2.94629876      -1.94064405 
O       1.41320295       6.49919600       0.89610715      -1.94721215       0.42689579       0.44517832 
O       1.13152893       8.94362223       3.67281722      -1.35091313      -0.85432917       0.21121330 
O       4.48014305       5.55638250       3.17374704       0.68231991       1.53003304      -0.27521709 
O       3.35777539       9.42717040       0.86120844       0.09060794      -1.40549442      -1.33369104 
O       3.68588406       8.39727110       3.59643971      -0.12157646      -0.94100174      -0.63422369 
O       1.13987384       3.63981949       8.89301020       0.16819713       0.23683396       3.55414631 
O       6.11226677       3.51916681       1.00991106       3.00037541       0.97770423      -3.34364556 
O       6.57722676       1.10136461       6.86742277      -3.50555642       2.59440517      -1.46655281 
O       6.26688760       3.27641963       8.81372894       2.28505921       0.43566687       1.98487315 
O       3.34422982       4.53062530       6.24793949      -3.47921179      -2.10971940       2.65806274 
O       0.98048471       3.68631475       6.41520684      -1.38053266       2.76932047       2.15596118 
O       9.05169454       4.25811099       8.90098513       0.31852789      -0.75494768      -1.02585176 
O       8.39781681       3.43853186       6.74423717       1.80499549       1.42127543      -0.23605311 
O       6.08181954       3.93085385       6.10829453       0.41062929       0.59731518      -0.25061760 
O       6.69453067       0.55897923       9.40282654      -0.10096591       2.07635647      -1.55960320 
O       6.53048220       0.89111310       1.24417758       1.25571377       2.72649918       1.71605129 
O       9.25677125       1.43933454       9.00297741      -1.06838075      -1.19753569       0.71262845 
O       6.26829583       8.92483550       1.11220048      -1.53203171      -0.42696493       4.97249849 
O       8.66388509       9.11089974       6.50685402       2.56362715      -2.49025975      -3.03395417 
O       0.56602361       6.12414245       8.69612151       0.73163203       0.51291461       1.65960670 
O       8.33191271       6.89853407       8.87036595      -1.37098892      -2.35188914      -1.70441531 
O       9.12313922       6.82548167       1.22314910       0.33717539       1.28620282       0.06565903 
O       9.40330412       6.55769348       6.03493285      -4.18184472       0.12706349       1.45722179 
O       6.34562807       9.02088571       6.65005979      -1.97908676       0.96074140      -0.87784744 
O       5.23035901       5.64367511       8.42691295       2.38306736       0.04791593       0.73340317 
O       4.15846449       7.03323501       5.49289966       2.46493263      -1.09211276       2.01834524 
O       6.46202414       6.37846054       1.00250109       0.10496788      -1.63760923      -0.11937648 
O       9.67779748       6.99262992       3.88187569      -0.68118896      -0.17138035      -1.89995037 
O       9.84831009       1.62496986       1.02879271      -1.14964889      -0.65034120       0.96834733 
O       8.79749471       9.30663620       3.81197979       2.56896522      -0.37180234      -1.02498386 
O       8.61603634       9.59300954       1.02340775       2.71010457       0.54169352       3.84225731 
O       6.94182594       3.65580431       3.38170468       0.44325162       0.05901807      -0.33405413 
O       6.94785144       6.35058517       3.57603700      -0.33957993       2.49377880       2.74437807 
O       6.44947590       9.22028702       3.92915832       0.32580898      -2.54446297      -0.58202495 
O       8.95827805       1.15295251       6.44539084       2.94379172       0.07383441      -2.87009824 
O       1.10724054       6.43807214       6.53522307       3.20683793      -0.35563119      -1.38832560 
O       9.63909933       4.41112107       3.39567727       0.18807210      -1.18112999       1.59573264 
O       3.24241149       7.60663038       7.82088187       0.19308805       0.09052972       2.15341352 
O       4.01118811      10.39974748       8.79686601      -0.12931939       0.11569104      -1.17295606 
O       3.80080137       3.35530987       8.79000029      -1.12748159      -0.95771839       1.55350970 
O       6.81030485       6.52426674       6.47477313       0.86722407      -0.55607304      -1.89496564 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017587301059186697 -0.003775343811333188 0.006660932372531597 -0.003775343811333188 -0.04222776600386154 -0.0056032583508286325 0.006660932372531597 -0.0056032583508286325 -0.0352086313004824" pbc="T T T" energy=-914.65918652 free_energy=-914.66917165 config_type=crystal 
Hf       0.51190823       0.30207201      10.44958637      -5.76933599      -1.31662970       1.14753375 
Hf       5.12009696       2.49416276       2.40376232       2.95310482       3.05978928       1.40191917 
Hf      10.18847007       2.53611369       7.80916789      -0.74835479       1.14843384      -4.38480059 
Hf      10.36003872      10.44284698       4.79541901      -1.29675965      -1.12677444       4.12385866 
Hf       7.51026672       4.99533033       7.70405260       2.31720681      -2.99116661      -2.76424454 
Hf       7.89461656       7.63948242       4.88431755      -2.40764938      -0.48775390      -1.01004405 
Hf       7.65071517       2.27326105      10.38833848      -1.50942168      -0.18339408      -0.28201962 
Hf       7.52701609       0.21103313       2.64980520       1.63519090      -2.12733858      -0.31471862 
Hf       2.46244190       2.51667095       5.52086095       2.17661866       1.67961138       1.83201982 
Hf       5.08241048       1.39036245       8.34866753       2.36419369       4.47141054      -6.26965743 
Hf       4.71921178      10.19899750       5.30426283       3.24610042       1.20611679       3.15792935 
Hf       2.55378996       2.84831898      10.41744823       2.75954663      -1.77702992      -1.64897310 
Hf       2.43690657      10.15828816       2.62038869       2.86040527      -4.93823799      -1.06551255 
Hf       0.12102182       2.42743539       2.76098858      -1.99266227       1.15651904       0.80312197 
Hf       2.12670149      10.18330071       7.99244686       1.39249360       1.28185202      -3.78956243 
Hf       8.18010875      10.46535035       7.41896556      -3.84306495       1.03078053       2.63661368 
Hf       2.05417805       4.96644676       8.06873436       1.89624043       2.84327907      -2.91142869 
Hf       4.78746469       5.13408378       4.82729204       1.77916368      -2.36772928       2.89483903 
Hf       0.01148058       5.47147524       5.17034309       4.66128164      -6.15886791      -1.02487825 
Hf       2.36351810       7.60082646       5.25467168       1.92728658      -0.19574541       1.78417016 
Hf       5.13522062       4.94573426      10.21154270      -3.85461500      -2.10269083       1.80900006 
Hf       5.43643409       7.51796587       2.50431079      -1.32842499      -2.81431109      -0.99056276 
Hf       5.48658414       7.48757830       7.56219331      -3.47663441       4.92873050       4.61891792 
Hf       7.76960230       8.04700496      10.16293160      -1.19123031       1.67023575       3.98491488 
Hf       8.41716619       5.29709171       2.41334308      -2.24339257      -2.06505947      -0.09499630 
Hf       2.34417322       5.62433367       1.75678077       5.32504841       3.54895900       5.83437254 
Hf      10.21334268       8.20836174       2.48599860      -3.56172251      -3.27774211      -1.45571758 
Hf       0.03740536       4.87787267      10.26597626      -4.10156400       3.78147562       0.02639708 
Hf       7.50698075       2.62257016       5.13167467      -1.18791922      -0.50010341      -0.53523538 
Hf       9.76674166       7.80376995       7.40026654       5.47550839       4.33062907       5.82830229 
Hf       5.05351717      10.13952321       0.20143939       1.03906048      -3.91977117      -1.29428699 
Hf       2.70221961       7.77318426       9.90361014       0.84192205      -0.39510137       0.18023866 
O       0.95325480       9.20078901       1.44492704       3.96518705       1.18512927       0.83890342 
O       1.54448447       6.18219930       3.99125439      -0.40213214      -2.21950996       0.22567250 
O       3.90151489       1.73349211       6.81171538      -2.49198809      -1.15152492      -0.99053934 
O       1.27266428       0.88527191       3.49213136      -4.87698761      -0.14285705       3.53295553 
O       1.44613840       4.24195913       0.95430927      -2.58776822      -6.46066164      -0.76665465 
O       1.76549691       1.40166093       9.17339970      -1.01763511      -2.64975828       0.02848024 
O       4.20898390       3.24148691       4.45668913      -0.64161764       0.10385993      -1.45602310 
O       3.78046648       3.86717644       1.16120186      -1.02542122       0.07695702       3.23456807 
O       3.66307047       0.69196936       3.96184897      -0.32394969       0.15266258      -2.31414227 
O       1.57424971       3.23026819       3.86377942      -0.74455414       0.43545234      -0.98576027 
O       1.69349752       1.21477981       1.22203812       1.92545846       1.82500945       0.99187724 
O       3.88453903       6.71034678       0.96152969       0.76163958       1.56709788       1.78548580 
O       4.49809174       1.47189698      10.10307718      -4.33280309      -0.26027569       5.98347212 
O       8.88308573       1.22343305       3.69557576       3.69280342       1.24813419       0.68170214 
O       0.74456306       9.23061265       6.71066767      -0.14674597      -1.66149746       0.62237366 
O       6.36008702       1.32411350       3.72007714      -1.28468804      -2.73704924       1.22798153 
O       5.57357459       8.13599215       9.68087004       2.68448512       1.28441625       0.58022713 
O       1.20046445       1.13097872       6.68529509       0.40018574       1.68841128      -1.24282562 
O       2.92627500       5.78863250       9.84305417      -1.33864711      -2.58522032      -1.97471376 
O       1.06582862       9.21742660       9.42587584       2.51341445       0.93834335      -0.95438852 
O       8.68950226       3.86470547       0.82757499       1.70417357       2.80757735      -0.20618947 
O       3.22990030       9.59891959       6.42015254       0.74986044      -1.20037394      -3.31125754 
O       8.95863400       8.89687871       8.80935480      -0.02015533       3.57385758      -0.85926226 
O       0.23690191       6.07556390       1.67747261      -0.14865794       1.10335197      -1.07905015 
O       0.87995518       8.43316577       4.28173320      -5.10702443       5.36591517      -1.72325146 
O       4.06022236       5.83789837       3.25839359       0.13772308       0.65760973      -1.56499955 
O       3.53211894       8.99131712       1.16096554       1.56755101       3.87794713      -1.43092160 
O       2.93140072       8.08629308       3.39745160       3.11550506       3.01821231      -0.93984528 
O       1.11795134       3.55257063       8.93443018      -0.82174643      -0.38218981       4.49151310 
O       5.72768991       2.96989205       0.41574290       4.53716651       2.12168297       0.47001156 
O       6.12286861       1.48057817       6.41817014       3.72077401      -1.17818781      -1.05614649 
O       7.22444704       3.13963979       8.64252316       0.03694012       1.10134482       0.67679954 
O       2.84688783       4.22802443       6.59184145       3.07308655      -1.90409538      -2.85888267 
O       0.49350111       3.94356871       6.63365946       1.33918519       0.20315864      -1.64616600 
O       9.50105382       4.58200879       8.62161954      -1.90999921       0.42278768      -0.02670630 
O       8.65465715       3.64925362       6.35021258       0.45370361       0.16142890       2.44034528 
O       6.38000127       3.99369814       5.79529497      -1.68215202       3.50931382       1.13865976 
O       6.89101170       0.53403356       9.08006359      -0.48080625      -0.21431172       1.40021984 
O       6.25601458       0.91276285       1.36331026      -0.49301315       1.34318104      -1.23431851 
O       9.37114682       1.00406464       8.86336940       0.82254775       0.73588032       1.32290263 
O       6.59530932       9.01941908       1.38554926      -1.50442023      -0.76852739       1.21140322 
O       8.95382782       9.26054410       6.05653634      -1.45780339      -4.26650482       0.58674132 
O       0.81155815       6.99066824       9.44820652      -1.64828357      -3.65139324      -0.64729169 
O       7.84042394       7.03391081       8.52282458       2.37024340      -2.36713924      -2.63031397 
O       8.23832469       7.06813560       1.57931755       1.32223596       0.51531196      -2.43616697 
O       9.28457837       6.52792949       6.20640448      -4.75156316      -1.54154098      -1.32143017 
O       6.06303544       9.47182308       6.73768271       1.22185229      -2.14466967       1.26770917 
O       6.12990723       5.79116344       8.79769514      -3.19528331      -0.98698697      -1.06373647 
O       4.00979537       6.64127750       6.03398660       0.86091741       0.03760727      -0.61995170 
O       6.01317373       5.34823333       1.30310899       2.51320334       2.44128123       1.16418121 
O       9.44855641       6.52446455       3.83218594      -2.50995903       1.75129737      -0.54308990 
O       9.37990651       1.58847370       1.13898516       0.73282771      -0.59378252      -0.30861672 
O       8.67743913       9.32181198       3.83541728       0.90341012      -2.35993533      -1.93552147 
O       9.29134655       9.39559095       0.97638133      -2.20909959      -0.15803429      -0.21922049 
O       6.72906526       3.48836091       3.19134345      -0.17535431       0.64411857      -1.01850054 
O       6.87628691       6.12616462       3.36414187      -1.32059886       3.09810768       3.69726528 
O       5.91628591       8.65222846       4.30288298       0.22468707      -0.60222823      -2.01184503 
O       9.30663474       1.11846816       6.28558086      -0.42971622       1.33960764      -0.96469357 
O       1.53727828       6.32545405       6.61003411      -3.43747034       1.26135756       0.08563829 
O       9.46926316       3.78547540       3.98816498       0.42150832       1.16759835      -2.38947802 
O       3.61611145       7.88073032       8.18166434      -3.10927070      -0.50008895       1.42757172 
O       4.28455876      10.21195360       8.71720169      -2.63407985      -3.34066445       0.24305672 
O       3.77804262       3.50864346       9.06273857       0.12360654       1.03775933      -1.19455681 
O       6.40193288       6.65982706       6.27465007       6.14786518      -3.14719490      -5.50715021 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.029035353921699168 -0.0014562285516530739 0.01318605902478539 -0.0014562285516530739 -0.049210635903943915 0.006173873037206661 0.01318605902478539 0.006173873037206661 -0.033058431618826926" pbc="T T T" energy=-920.8438341 free_energy=-920.84484353 config_type=crystal 
Hf       0.51323639       0.26112206      10.27946750      -5.74875914      -0.54510991       8.12341927 
Hf       5.16730706       2.50950840       2.34518446      -0.81621174       4.06362076       4.19115057 
Hf      10.25765479       2.56140234       7.81547367      -1.83752440       0.73309787      -3.03289802 
Hf      10.26370143      10.31116837       4.87857087      -4.95036142       0.30241886       5.73475339 
Hf       7.37646734       4.99728207       7.70790489       1.97024063      -0.79581908      -2.07041677 
Hf       7.91135861       7.70657631       4.84126567      -0.82061549       0.09838930       0.52880081 
Hf       7.52586743       2.30337115      10.33133611       3.37254747       0.70965317       0.49269398 
Hf       7.63025448       0.20728832       2.64621006      -0.25490099      -1.54628154       1.47761798 
Hf       2.47020887       2.51354930       5.60475508      -0.82461072       1.76354891      -3.82350667 
Hf       5.15504120       1.48046586       8.25253339      -1.70472807       3.02032687      -1.23786919 
Hf       4.75378069      10.12517708       5.32632820       4.83775675       2.09241633      -3.48197962 
Hf       2.52209411       2.79267574      10.40087741       3.08933508      -2.59811541       2.18957309 
Hf       2.36871551      10.15044657       2.48086043       2.51899079       1.58280859       3.85226451 
Hf       0.11581656       2.42336289       2.85906452      -0.04352394       0.74742643      -2.26821579 
Hf       2.08880024      10.16695679       7.89740790       4.10846902       0.18945989      -5.63994497 
Hf       8.07960612      10.45083865       7.51980415      -4.18975257       5.47877492      -4.54585789 
Hf       2.10209147       4.98200466       8.01352212      -0.42673614      -0.62828642      -2.52229919 
Hf       4.72111464       5.13512192       4.96699446       0.74243854      -3.28078561       0.47089714 
Hf       0.07403005       5.47572755       5.17062641       0.03140275      -2.86849193      -1.76502239 
Hf       2.35679284       7.70304376       5.26830380      -0.18517137       0.51311099      -1.27397860 
Hf       5.13519184       4.86569703      10.26341800      -1.51438542      -0.14401850       2.42248313 
Hf       5.46643221       7.41069987       2.56238155      -1.89853741      -0.86950680       1.14161568 
Hf       5.45077059       7.44575809       7.48756836       1.09066845       1.91572787       1.88308083 
Hf       7.71664940       8.09711200      10.31166813      -2.07519607       2.21225329      -2.09410858 
Hf       8.36644960       5.40806671       2.43157017      -5.02233985      -5.01946157      -1.86055521 
Hf       2.48940357       5.58359587       1.88592436       0.28084886      -0.73990460       3.83440712 
Hf      10.18939633       8.22909423       2.42123396      -0.17743219      -0.45220894      -3.19630601 
Hf       0.16654770       4.90451763      10.29642986      -5.94390997       4.58591471       3.17246123 
Hf       7.62964514       2.64017159       5.08911314      -2.16671619       1.17322972       0.15888292 
Hf       9.74119973       7.79560495       7.52146670       1.33608436      -3.82184509      -0.94150426 
Hf       4.99182583      10.11366897       0.15674966       4.78506001       1.05253393      -2.92058340 
Hf       2.73622775       7.74871041       9.89709849      -2.29166759      -1.73417385       2.38263974 
O       1.19169053       9.19833196       1.47596372      -2.91536009      -2.53141503      -4.27384323 
O       1.70461555       6.04936030       4.20104728       0.74514755       0.38453457      -1.37149371 
O       3.74112477       1.85316934       6.86159802       2.06703683      -3.49457551       0.93930028 
O       0.87938342       0.75485113       3.78252623       3.84350882       3.57163876      -3.26980677 
O       1.22527510       3.74516483       1.26384786      -0.46587747       2.22377410       0.46633547 
O       1.49283744       1.27591278       9.09492120       2.15051277       2.00401654      -1.87574182 
O       4.14181758       3.14634873       4.22361952       0.30281963       0.23345382      -0.53356353 
O       3.75867052       3.75252382       1.28429202       0.00936414       1.88869330       0.47406175 
O       3.91401457       0.33748346       3.53470723       0.57075202       0.70926309       1.75346019 
O       1.45148150       3.34269046       3.95633538       0.77952236      -0.64440334       0.69831636 
O       1.84353939       1.28763984       1.25436057      -0.41310670      -1.17159086       0.10139835 
O       3.71831798       6.86133071       1.02503744       0.92989347      -0.24763137      -0.59910072 
O       4.07346995       1.44252442       0.01314534       1.02260276      -0.01127813      -0.66987874 
O       8.82957069       1.44913739       3.83597209       0.76688376      -1.01796482      -1.41616058 
O       0.63993330       8.84036615       6.54537811       2.30423822       1.22893305       0.42821469 
O       6.30397584       1.07415532       3.98733344       1.01373067       1.27132753       0.65843811 
O       5.54441681       8.28432008       9.47173747       1.92158035       0.47723585       1.34404727 
O       1.24561009       1.09742241       6.67449407      -1.27373985       1.02777526      -1.12198710 
O       2.84815989       5.60977885       9.65199139       2.81625659       1.34970359       3.54704603 
O       1.27964021       9.19542519       9.27557765      -1.34970237      -2.23617083       1.97270561 
O       8.50828587       4.00627129       0.81937985       2.04372464       0.47573399      -0.55354639 
O       3.21465848       9.40434467       6.11900407      -1.41326972       0.34052420      -0.01205184 
O       9.01960695       9.31932113       8.50034255       1.08767809      -6.72462248       4.49689231 
O       0.58530978       6.48063294       1.46698917       2.12103100      -1.56615970      -1.22268133 
O       0.77563805       8.97077406       4.03828635       3.39040630      -4.68500273      -0.77292661 
O       4.28972844       5.82497355       3.11703981      -0.56098182      -1.58438186       1.10010943 
O       3.71099698       9.39249117       1.11169998      -4.46667061      -2.29274189       1.67895261 
O       3.14240559       8.08106239       3.41576484       0.69052233       1.18734181       1.14888739 
O       1.02731216       3.55797715       9.39192233       0.41354925      -1.26575774      -6.08754470 
O       6.03822520       3.22812701       0.43280783      -2.15699285      -0.13410253       2.74915706 
O       6.31276326       1.39157727       6.63776661       1.16954461      -1.31773055      -0.01307265 
O       6.68351950       3.13328042       8.71815788       0.35678278       0.30643327      -0.96588209 
O       3.05741261       4.10628086       6.48278008       0.92157909       3.21386361      -0.68216652 
O       0.39137266       3.90529455       6.35224428       1.93578660      -2.18596954       2.45075914 
O       9.31932657       4.67933702       8.78900977       0.37316872      -1.97535379       0.15323727 
O       8.48470019       3.75832388       6.69510516       0.41434610      -2.33021028      -1.30739224 
O       6.19250453       4.22310019       5.87277635      -0.31959107      -2.36602917       0.12638585 
O       6.73477133       0.51817005       9.29580913       0.54668596      -0.42757990      -0.05334847 
O       6.05041948       1.06065413       1.55900025       3.32994464      -3.36717654      -2.83917869 
O       9.44399398       0.85111714       8.91729356      -0.20130579       4.70865425      -0.68886879 
O       6.33735014       8.83802664       1.61187633       1.71374741       2.11277240      -4.91595713 
O       8.81705845       8.99266496       5.94072795      -0.11201968       3.52050996       4.47117351 
O       0.92467799       6.47626257       9.15618144      -2.23042488       1.22634639      -0.60591009 
O       8.13972890       6.77768275       8.62785059      -0.32575933       2.62245385       1.16653716 
O       8.49546970       7.38034884       1.29382798       1.46125123      -3.92933702       2.01683043 
O       8.97671709       6.42952303       6.06621726       4.44498161       0.93655951       0.99756993 
O       6.12085093       9.12971210       6.65614484       0.78108939       0.86770174       0.44347550 
O       5.72682572       5.79937113       8.68049453      -0.44161603      -0.35317301      -0.83697365 
O       4.50948043       6.97527267       5.92764415      -4.88252320      -1.06644366      -2.65773702 
O       6.39132863       5.47780509       1.33343585      -1.13513933       3.02413286      -1.19931447 
O       9.61016029       6.49277269       3.41580544       0.23744217       2.09949361       3.76528126 
O       9.69714980       1.36484314       1.13243750      -0.53926587       2.76604494      -0.22178027 
O       8.92383002       9.27530144       3.52291423      -1.79106601       0.38597794       2.00053585 
O       9.15992258       9.71087967       1.22585284      -1.38561055      -2.27282474      -2.40353971 
O       7.04702360       3.79823956       3.22471869      -1.53273751      -1.57692965       0.67853487 
O       6.89387055       6.64893268       3.77456093      -2.07401957      -4.99495977      -5.95472439 
O       6.26288543       8.87561914       3.89222258      -1.26995262       1.35408414       2.43859050 
O       9.19028063       1.46290609       6.17790523      -0.76424321      -1.96265705       2.48393019 
O       1.32053280       6.29954518       6.60018091      -0.03786747       1.03287150       0.10689357 
O       9.50755752       3.93533160       3.48348722      -0.62007725       2.19779484       1.27970712 
O       3.32740656       8.01641644       8.21476956       0.96933584      -1.98738352      -3.05640226 
O       3.97499588      10.17102584       8.64214334       1.09807562       2.53909659       0.60842787 
O       3.63359398       3.64198746       8.92849993       1.43466212      -1.33787035      -0.05244376 
O       6.87812750       6.30597530       6.01336578      -2.77036760       2.48667792       4.11617911 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03948732746356649 0.018559323831072096 -0.0013852231215880694 0.018559323831072096 -0.01381362286946186 0.011537796975697826 -0.0013852231215880694 0.011537796975697826 -0.009350857749078447" pbc="T T T" energy=-929.64700473 free_energy=-929.64706265 config_type=crystal 
Hf      10.27952077       0.24249693      10.29717851       4.62481340      -6.89650939      -4.90547054 
Hf       5.22898145       2.56093408       2.68123405      -0.56614874       0.55955440      -4.33386962 
Hf      10.04856534       2.69017804       7.64982376       2.47021471       0.92131648       0.07144625 
Hf      10.08439292      10.23240320       5.52520285       0.97790652       2.05246564      -2.37006135 
Hf       7.33463404       4.85195888       7.66757496       0.02160410       2.80729969       0.89324489 
Hf       7.88320108       7.73113305       5.02333265       1.08780740      -2.30377090       0.26234458 
Hf       7.76617222       2.54896200      10.30983110      -1.33134102      -0.20381929       2.32993915 
Hf       7.69432835       0.05794371       2.80903765       2.46750295       0.92502999      -2.09302965 
Hf       2.50840506       2.61840398       5.40532509       2.10862357      -0.42474544       1.55727907 
Hf       5.04748027       2.11994911       7.89880660      -1.60344604      -0.62086035      -0.52867459 
Hf       5.30877785      10.22166153       4.76385002      -3.94857902      -1.17450422       4.73409953 
Hf       2.40970513       2.52440107       0.04350894      -1.67310951       3.95732775      -2.45352273 
Hf       2.48129917      10.12851727       2.58201709      -1.09552327       2.61419825      -1.98250309 
Hf       0.07007131       2.53688914       2.68381595      -1.00735107      -0.43021805       1.05036105 
Hf       2.34219552      10.26690660       7.15863422      -1.71645221      -2.42937901       4.22312634 
Hf       7.61225994       0.05585738       7.83825001       0.09752030      -2.11539010      -0.99606369 
Hf       2.31268419       5.31405260       7.81522301      -1.49002309      -0.83498044      -1.39566470 
Hf       4.90756873       4.78101260       5.28891530      -0.90854803       1.32462045      -1.71190517 
Hf       0.43325965       5.16561059       4.91897836      -3.46873820       1.32685942       3.03703798 
Hf       2.37826236       7.87035256       4.92026486       1.29493380      -1.36750281       2.30358903 
Hf       5.00358921       4.84809173      10.32893024       1.98538002      -0.12512027      -0.03533348 
Hf       5.29304129       7.40584785       2.66245789      -0.35537933       1.75895584      -3.92189306 
Hf       5.08384403       7.55905993       7.47280725       1.53382094       1.31367609      -3.45195932 
Hf       7.53238996       8.06786137      10.44520983      -0.29319460      -1.85702173      -0.42660508 
Hf       7.87878162       5.16089735       2.20884975      -0.86180283       0.65302091       0.86116672 
Hf       2.90136251       5.37347299       2.50510088      -1.17979822      -2.56083053      -3.57512977 
Hf      10.21661923       8.07476561       2.06822903       0.78906272      -0.32037523       1.36214127 
Hf      10.35524426       5.18240058       0.07918779       2.44742810      -0.64816783       0.38371335 
Hf       7.62785395       2.68081896       4.94956143      -0.74916883      -1.68027160      -0.91170855 
Hf       9.90083231       7.43147047       8.11617074       4.43250887       3.01023928      -4.18062545 
Hf       5.15790109      10.17440245      10.35844283      -3.96521974       1.00366742       0.35345513 
Hf       2.53963431       7.35509630      10.08066863      -0.68172554       2.38043285      -0.41544189 
O       0.98797076       9.52554347       1.12003275      -2.46859586      -0.06625712       0.43654533 
O       1.68525392       6.22450284       3.75548010       0.36520302       0.35485537      -0.15466373 
O       4.26956457       1.72650446       6.10084113      -0.38278578      -0.39234578      -1.82796911 
O       0.88125477       0.92331152       3.80014535       1.41463620       0.03349293      -0.37828706 
O       1.57693963       4.21773145       1.46786864      -2.01085948      -1.28885062      -1.23981914 
O       1.21349864       1.01456130       9.06285266       0.42022224       0.73120159       1.38845007 
O       3.95697936       3.41664169       4.00828154      -0.85143486       1.13746210       2.69266781 
O       4.15288067       3.69713230       1.37956678      -2.79256035       0.60468867      -1.08131234 
O       3.77236271       1.10996479       3.11978384      -0.23419196      -2.22765794       2.57707541 
O       1.53991399       3.69010089       4.13238074      -2.49351695      -0.02568728      -2.36671241 
O       2.12947660       1.41856216       1.46429642      -1.62675330      -1.67709100       1.31975566 
O       3.99572702       6.46864433       0.90524257      -0.09864671       0.60394135       2.74157562 
O       5.24847328       1.25089322       0.98017575      -1.42271916       1.47474123      -0.13619797 
O       8.99685887       1.49334337       4.15686986      -0.72214851      -1.43346299      -2.71745890 
O       0.95352033       8.86122152       5.92677838       1.60040145       0.69673277       0.66391337 
O       6.07820033       0.96897001       3.47235296       1.93687211      -1.49264418       3.11008033 
O       6.39953193       9.16550023       9.22129952       0.13127566      -1.93057476      -2.16498240 
O       1.41493740       1.41176751       6.55414533      -1.21098146      -0.11314470      -0.81736080 
O       3.34344999       5.13654271       9.48998990      -3.41176836       2.11562799      -0.41892907 
O       1.21820225       8.60288284       8.58475884      -0.62888255       1.14662883       0.06884249 
O       9.37973026       3.73020151       0.99744948      -1.52418887       1.19660759      -0.06213550 
O       3.83369506       9.60197133       6.10198906      -2.52001709      -2.23489211      -3.92228653 
O       8.93536272       9.00108250       9.25073445       1.59417958       2.30376021       0.00777449 
O       1.20767148       6.87506823       1.10638064      -0.98464010      -1.25159634       0.02969520 
O       1.53433236       8.54704922       3.29793730      -2.57612130       0.13838489      -0.19211447 
O       4.61315694       5.55905850       3.35552149      -0.98503709       2.00448458       0.67753937 
O       3.28930970       9.10075600       0.18436525       2.03133446       0.65542609       0.82857432 
O       3.85084069       8.69583086       3.63760840       2.42628363       0.39631998      -0.85065632 
O       0.82536882       3.67275003       9.26756881       0.23490347      -0.41801616       0.60047769 
O       6.40019224       4.31556896       1.14666201       3.46260102      -3.19418926       0.73863588 
O       6.80630686       1.25486839       6.34593703      -0.41607997      -0.90200483       0.79806509 
O       6.23724157       3.53421742       9.06686676       1.01698054       1.03445600      -0.66118983 
O       3.40737450       3.90860563       6.89921145       2.18403765       0.19336267      -2.69308706 
O       0.93938195       4.14590872       6.67715416      -0.48656685      -2.88175185      -0.06776840 
O       8.68633184       3.80391831       8.99343967       0.73170828       0.70186701      -2.45614029 
O       8.97380131       3.61285291       5.71194351       2.57918573       2.16748941       5.57532347 
O       6.23572177       3.81213030       6.35654076       0.59318291      -0.70292717       1.68275965 
O       6.44758874       1.08201941       9.28475347       0.97125503       0.74280693      -1.83749805 
O       7.43587266       1.96971414       1.92129174       1.25514274      -0.96202616      -1.81456535 
O       9.11151148       1.16176913       8.99296199      -3.44471961       2.26568517      -0.71692515 
O       6.11384716       9.35806501       1.35618968      -0.90018939      -2.07031289       1.42987838 
O       8.68221496       9.03697100       6.56869524       0.42191100      -0.93283832      -0.59375990 
O       0.89211429       6.22387298       9.01775725      -1.23151875      -0.13853454       0.46527152 
O       8.49219775       6.72777321       9.00941653      -3.45126557      -3.99086977       1.32020295 
O       9.01689421       6.59958895       1.01382448       2.51712131      -0.79175844       0.33843572 
O       9.74902374       5.96121920       6.51593878      -1.92180752       2.45092727       0.78471048 
O       6.04628072       9.10545731       6.67816792       2.18455666       1.66938830      -1.39109542 
O       5.73947025       6.10033195       8.53015447       1.77185337      -2.60368320       1.53498774 
O       4.14552388       6.72393368       5.80250419       1.63036271      -0.96732978      -0.38986261 
O       6.71261689       6.53035074       0.94245399      -2.65537040       1.82267214      -0.21941945 
O       9.28353426       6.82672359       3.62541224      -0.07763647       0.62666836       1.06025117 
O       9.84407002       1.43090171       1.05041913      -1.34863256       3.36608714       4.88447476 
O       9.38175829       9.50309745       3.94321317      -2.91129219      -2.20759132      -3.00388671 
O       8.31812046       9.11853975       1.39263697       4.61191538       1.41862318       2.24679758 
O       6.48930534       3.79348371       3.75336426      -0.51201270       0.81479304       0.82997089 
O       6.64408380       6.47161275       3.39453394       5.05642208      -1.09376291       2.83444175 
O       6.58185627       8.83266983       3.94698718       0.29951934       1.78739102      -0.07761011 
O       9.29133503       1.18611205       6.50735702      -0.84184089       0.92078674       3.40327850 
O       1.80874388       6.29762871       6.13239766      -0.74412879       0.75376807      -0.56259354 
O       9.01305835       4.04788208       3.47948442       2.72805247      -0.31508998      -0.96498542 
O       3.36543560       7.37909635       8.22095571      -1.43844763      -0.67835790       0.69781760 
O       3.92918334       0.20067505       8.01938403       3.28427592       2.53273720       5.20587214 
O       3.79105263       2.91900026       9.21285936       1.58970231      -2.14694745      -0.53170913 
O       6.78646232       6.44528335       6.25593619       0.95969559      -0.21813237      -0.45052762 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.032950878626377224 0.015471815278157379 0.0034425713547398683 0.015471815278157379 -0.0008863074717011875 -0.012662262123054942 0.0034425713547398683 -0.012662262123054942 -0.014290483722429814" pbc="T T T" energy=-929.26619844 free_energy=-929.26679351 config_type=crystal 
Hf      10.07711096       0.13726390      10.17230555       2.16667112      -1.65520355      -2.18064662 
Hf       5.20547049       2.50554925       2.66981731      -0.31074615      -0.48282697      -3.33550479 
Hf       9.97875987       2.82616423       7.69169662       3.25619559      -1.12184675       1.26022304 
Hf      10.10827815      10.39183535       5.60366973       1.35763224      -2.35231407      -4.95011373 
Hf       7.44302463       4.95730108       7.70967860       0.92868046       0.55414864       1.58236066 
Hf       7.96554192       7.55375828       5.18062237       2.55966564       2.24396340      -2.38904414 
Hf       7.97300369       2.71020271       0.00302735      -6.59881939      -5.57016308      -3.28729533 
Hf       7.78798472       0.03182060       2.79931361       3.33466767      -3.87752034      -3.47986300 
Hf       2.60697876       2.61398819       5.26384499      -2.67058079      -2.36373648      -1.43192602 
Hf       4.89171600       2.34892696       7.65636399       3.54543013      -1.62162795       3.52086345 
Hf       5.34399619      10.26921764       4.67441152      -2.03955659      -0.38735834       4.36553281 
Hf       2.20835700       2.53039904       0.05337301      -0.22752346       1.18281892      -1.68600071 
Hf       2.52956164      10.24786083       2.58386835      -0.16919600      -0.26706078      -1.69624635 
Hf       0.03932476       2.55841047       2.53765516      -0.12283673      -1.80812846       1.12840429 
Hf       2.47739601      10.33791610       7.15061585       2.29023247      -6.78896349       3.56324601 
Hf       7.44048563      10.38435348       7.88379954       1.38593344      -0.60041858      -2.74090459 
Hf       2.29544552       5.45271772       7.75103014       0.00275853      -0.64229069      -1.97970376 
Hf       5.12762718       4.69094896       5.36961431      -0.46724650       4.02568023      -0.85251725 
Hf       0.35271230       5.12317005       4.92009322      -3.34779727       3.89456313       0.74331790 
Hf       2.49611376       7.80001572       4.66485358      -0.96839590      -0.96167199       2.02055111 
Hf       5.10919422       4.89497088      10.28361264      -1.08544186      -0.09064298       0.32585776 
Hf       5.36394613       7.56462481       2.58873859       1.13697551       0.14428941      -1.53148941 
Hf       5.02726187       7.62552826       7.36146635       3.82644596       0.63503443      -0.70280389 
Hf       7.48638233       7.84444987      10.36839378      -0.92896828       0.43844480       1.11026824 
Hf       7.71247998       5.00554681       2.19061062       1.10277550       1.74919912       2.63597107 
Hf       2.86997731       5.09287124       2.51428466      -0.07057153       1.96118478       0.44631079 
Hf      10.32780512       7.95621141       2.21967934      -3.08122055       2.27450720       1.12076624 
Hf      10.33002448       5.15145872       0.15198471      -1.11522557      -1.97836976      -2.42103328 
Hf       7.62834241       2.61960906       4.94219009       0.90224160       0.28563910       2.91863469 
Hf      10.00885511       7.39340762       8.26950193      -1.68428210       3.49771286      -1.78710927 
Hf       5.13089034      10.40389942      10.25105784       0.33387108      -2.24198858       1.72305297 
Hf       2.35773752       7.25718751      10.19813665       1.18339525       3.61439784       1.04632654 
O       0.50328858       9.45533777       1.02202935       5.16328237      -2.90212490       0.90306845 
O       1.62536747       6.21202629       3.50625393      -1.82015302       1.19917410       1.27909907 
O       4.31388390       1.56864329       5.80619562       0.11996217       1.53532611       4.65355324 
O       0.69769939       1.24984985       4.14946859      -0.21110207      -0.11733296      -1.37418965 
O       1.01266472       3.89425961       1.37183519       1.55801143       0.14901449       0.10525528 
O       1.21450936       1.13388309       9.41401523       1.24123681      -0.65794266      -0.21522486 
O       3.68214281       3.85191149       4.03553113       1.83573154      -0.89737134      -0.06074592 
O       3.67761514       3.96558813       1.23362462       2.65948682      -2.67192016      -0.58288150 
O       3.61087092       0.80827543       4.06054660      -1.52163807       0.69145926      -4.71140998 
O       1.11744624       3.66977124       3.92614876       2.54876745      -0.80746516       0.27753811 
O       2.26952440       1.63440671       1.86342998      -0.73358290      -0.36112161      -0.45772098 
O       3.92044374       6.50803492       1.20864829      -2.12644983       0.18363481      -0.05858065 
O       5.03229695       1.41014954       1.02327284      -0.51308894       0.60870078       2.33755016 
O       8.40143497       1.01422659       4.33168408       5.31994249      -0.10050312       2.04565644 
O       1.32335250       9.09599880       5.96263527      -2.30516193       0.82527864       0.48814782 
O       6.38329163       1.25727907       3.67388655      -4.91925841       0.55580871       0.97813644 
O       6.23028542       8.94884172       8.90394999       0.43445782      -0.09090740       0.93749553 
O       1.57207693       1.13796366       6.35478934      -1.77990464       4.11040869      -0.94197305 
O       2.89613088       5.37040074       9.75152589       1.89952701      -0.52149531      -2.15069247 
O       1.12640635       8.56353464       8.68862813       0.54770061       0.64829319       0.71284214 
O       9.11425520       3.77128836       0.77704952       2.41577562       3.68632548       4.28617192 
O       3.51940272       9.19496164       5.75217025       3.94327794       0.75060926       1.79895282 
O       8.98182794       9.22188196       9.21837139      -2.67492820      -1.96036612      -1.17932969 
O       0.93089041       6.43118465       1.04901823       2.00021578       3.36744413       1.70346173 
O       1.21358321       8.86018840       3.40508701       2.75829333      -0.12166350       0.23003634 
O       4.21533594       6.31302879       3.64067646       0.21045941      -0.74077236       0.25824361 
O       3.45104211       9.11741118       0.67560263      -0.87023596       0.97352112      -0.38527352 
O       4.13624800       9.02847935       3.34156189      -0.58594950      -0.36092047       0.06346304 
O       0.65038830       3.55869691       9.40042560       1.63748792       0.47969227      -0.61041764 
O       6.52970581       3.72846088       1.09425555      -3.03769787       3.04234362       0.62948150 
O       6.84083538       1.23802042       6.31236596      -0.15809256      -0.41413102       0.84307325 
O       6.30524989       3.78389437       8.92966000      -0.45107291       0.36343885       0.76470852 
O       4.04511984       3.98492004       6.89659291      -2.66498929       0.92974280       0.10171251 
O       1.51882585       3.73637489       6.58374385      -1.17725320       1.39477805       0.73554012 
O       8.89341398       4.00316095       8.64860370      -2.06628020       0.96155429       2.24377584 
O       8.96335468       3.93218127       6.34116287      -0.63698233      -1.43376471      -3.44193935 
O       6.36669810       3.54811150       6.48969489       0.33554955       1.23814493      -0.87824331 
O       6.56203926       1.22220966       9.07897176      -1.13558841      -0.74501747       0.82742675 
O       7.62703591       1.76693015       1.82662444      -0.59158040       0.79975951      -1.58334869 
O       8.94804315       1.68777784       9.17224894       1.41238865      -2.19533866      -0.33680842 
O       6.07860925       9.11190910       1.16405547       1.54051037       0.13986317       0.09182314 
O       8.90041137       9.03860519       6.49671593      -0.16505706      -1.80606399       0.55652407 
O       0.77183274       6.14749348       9.12983006       1.83160110      -0.33780486      -1.92534055 
O       8.53276548       6.17410118       9.31401351       0.52393396       3.17438370      -0.50198786 
O       8.73487607       6.40223723       1.25597791       1.79991569       0.73880684      -0.11537724 
O       9.92264178       6.22789766       6.77006210      -2.83585250      -0.20973263      -0.38561693 
O       6.43408693       9.19268189       6.37575314      -2.76428706      -1.05172287       0.68309612 
O       6.06053579       6.31306332       8.98679112      -1.60258379       0.15721221      -1.76253723 
O       4.18184400       6.44353602       5.98913485      -0.41721288      -0.56734424       1.04084713 
O       6.17951849       6.64094844       0.99219712       1.95358900      -2.54389117      -0.51981229 
O       9.42866665       6.46776161       4.03609661       1.71586072      -0.33236630       1.55521695 
O       9.84479418       1.05540041       1.27224762       0.38285044       4.72170018       3.31978623 
O       9.10632852       9.07234812       3.82476897       1.75442773      -0.30489623       0.41051553 
O       8.88669458       9.37173670       1.36123115      -4.17043855      -2.89373260      -0.70642147 
O       6.41883558       3.83059152       3.89099332      -0.92804081       1.04021073      -1.26068037 
O       7.20469837       6.67544786       3.48149948      -3.39521451      -0.80959057      -0.93747646 
O       6.82099733       9.18543677       3.99342770      -2.42509627      -1.78605270      -0.95665436 
O       9.52656079       0.95340865       7.04439334      -1.00568667       1.34811269       0.80798368 
O       1.48274760       6.42765942       5.99221799       3.46809567      -0.16841146       0.52804886 
O       9.16475577       3.93440649       3.23681134      -1.42251030      -0.58586346       1.25276037 
O       3.33497446       7.46290664       8.18861348      -1.55604050      -1.12888856       1.87222211 
O       4.17906627       0.54481469       8.72833365      -3.12946314      -0.58906851      -4.78395263 
O       3.95350773       2.82223438       9.51947172      -0.40553691       1.48179348      -1.68262475 
O       6.62971894       6.35928792       6.28683084       0.70210190      -0.73432990       0.07524754 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.029802028652845015 0.005148827921281824 -0.011733112364736361 0.005148827921281824 -0.02123010171813387 0.004331601847076459 -0.011733112364736361 0.004331601847076459 -0.020818835025407458" pbc="T T T" energy=-928.39232293 free_energy=-928.39288866 config_type=crystal 
Hf      10.00683785       0.01501230      10.07638847       3.62673558      -2.62373099       0.97324240 
Hf       5.15663122       2.49858776       2.57339252      -0.10966241       4.06041781      -0.52446451 
Hf      10.02568434       2.96445591       7.77139401       2.05658703      -1.46570400       0.49969547 
Hf      10.14255370      10.45164706       5.52522713       4.19532076      -2.57331030       2.39030191 
Hf       7.52348731       5.06341171       7.76919329       0.57244752       2.30942776       0.41338191 
Hf       8.07744569       7.49176248       5.22859158       2.35532493      -0.99116831       0.05190508 
Hf       7.98660870       2.74687355       0.06429387      -2.69784848      -0.91461455      -2.75908641 
Hf       7.93276199      10.40898683       2.73743775       0.10629105      -2.15615354      -0.25127738 
Hf       2.61732042       2.56738879       5.15227037      -2.95731876      -1.48878335      -0.08828663 
Hf       4.86369055       2.47591515       7.58416489       2.63198474       1.64302394       7.12860492 
Hf       5.27259452      10.26881343       4.75643566      -1.70806853      -1.10271769       1.03499108 
Hf       2.08033329       2.57887168       0.02314433       5.13836620      -0.58117109      -0.92791743 
Hf       2.54180469      10.32725868       2.53558442       0.44126211      -0.80112471      -4.07248507 
Hf       0.05024613       2.55225446       2.50420550       1.32667796       0.22351054       4.24613703 
Hf       2.59357282      10.27560244       7.22117342      -1.39578045      -0.48276478      -0.84440281 
Hf       7.36116869      10.28213188       7.83960402      -0.92837031      -0.93114233      -2.00653551 
Hf       2.29435149       5.50986882       7.66168846       6.58231000      -2.89168580       1.13828045 
Hf       5.22336329       4.73982894       5.42767419      -2.98669221       6.19460040      -1.87908531 
Hf       0.26942971       5.12355625       4.97836797      -0.05061621       1.66201429      -0.03295011 
Hf       2.55744779       7.75108969       4.55420470      -0.25449419      -1.09624012       3.36393858 
Hf       5.13327035       4.92159878      10.25891366      -5.27890147       0.38967029      -2.73669064 
Hf       5.43069589       7.67743852       2.50689311      -0.63966472      -0.22404774      -0.57044952 
Hf       5.06948786       7.68457751       7.27787469      -1.79691019      -2.45315850       3.93272933 
Hf       7.44152943       7.71098258      10.34632956      -2.68145755       2.08110840      -1.50460220 
Hf       7.61875160       4.96742378       2.23715318      -2.46405404       5.40676638       4.45866328 
Hf       2.85041253       4.93005003       2.50085212      -2.37554371       2.53681715       0.12025945 
Hf      10.32028547       7.94651594       2.36746218       1.21888002      -1.43018704       0.26247280 
Hf      10.31454372       5.10409592       0.15434327       1.52565107       1.28274193      -0.93275954 
Hf       7.65968512       2.58970106       4.99790115       1.09218202      -0.60782336      -1.40657476 
Hf      10.05789721       7.46725775       8.33353435      -1.36569257       3.17091750      -5.41510530 
Hf       5.10061193       0.04865684      10.21501968      -3.38213595      -3.41262405       1.93289917 
Hf       2.27671060       7.27197741      10.29124920       3.30482962       3.31204291      -0.91998020 
O       1.04909222       9.00517154       1.04200932      -1.94764852      -0.04880395       0.29515223 
O       1.26340514       6.38991213       3.41474585       1.35052451      -0.82385931       1.30009310 
O       4.20409325       1.55092097       6.19631192      -2.50642757      -2.64063812      -4.26268964 
O       0.61733028       1.34292712       4.01009031      -0.18468840      -0.66879553       0.36689646 
O       1.02503870       3.82940382       1.30138866      -0.42728476       1.29164195       0.07186417 
O       1.41519257       0.95845598       9.63583482      -2.24324974      -0.73071957      -0.22945810 
O       3.80607570       3.96022410       4.06416634       2.01571291      -1.43597289      -0.22371832 
O       3.78007986       3.65092591       1.26226485      -0.78731379       2.00137911       1.67684955 
O       3.39280649       0.82521769       3.99914203       1.97393539       2.20437481       1.74704442 
O       1.34298081       3.69540757       3.82787460       0.55788719       1.45843355       0.74864427 
O       2.09834635       1.69473389       1.87936069      -1.77076186       0.43294633      -0.56980105 
O       3.31944440       6.60766875       1.45795202       3.93803107       0.59821195      -0.00235705 
O       4.66967431       1.36012424       1.27391687       1.24043551      -2.46410637      -2.28334856 
O       8.70240751       0.76139208       4.63459485      -4.23666092       2.13031025      -3.99860327 
O       1.38094926       9.27214568       6.13489312      -1.72499188      -1.44446487      -1.34088424 
O       6.21570851       1.48691252       3.91662515       0.07218998      -2.82527696       0.34352059 
O       6.01600735       8.69121181       9.11493791      -0.12719630       3.38390937      -1.51946033 
O       1.49463490       1.34834882       6.35027150      -0.31682909      -1.28292085       1.62268351 
O       3.18823499       5.43299458       9.62963339      -0.21085624      -1.14427636       1.06815245 
O       1.03455268       8.82674282       8.89885233      -1.53913878      -0.65712198       0.23670287 
O       8.84228534       4.18544981       1.13134609       2.89151066      -5.21273169      -4.16643743 
O       3.93313757       8.95464042       5.87435863      -3.48090377       1.30001481       0.02851122 
O       8.51026692       9.26500249       9.10096731       2.57953109      -1.15877329       0.96293379 
O       1.19877270       6.31361332       1.03505966      -4.19919654      -1.49856625      -1.10961086 
O       1.50311409       8.97342829       3.50646367      -1.36974812      -0.08720383       0.13100202 
O       3.93081418       6.58661682       3.80237820       1.93608430      -1.33772219      -0.73459364 
O       3.60409395       9.65908078       0.97520577      -0.34358164      -0.52527200      -2.37308584 
O       4.34844120       9.14049961       3.16929629      -2.00265661       0.81495871       2.30170845 
O       0.86102664       3.62437755       9.36015438      -1.59460271      -0.38913046      -1.57724372 
O       6.16318148       3.97483156       1.18812512       1.79106807      -3.52669378       0.33608010 
O       6.89412603       1.15823983       6.44203988      -1.12060356       0.47424217      -0.47559772 
O       6.34652115       4.05623002       9.01709558       1.88547023      -3.08769418      -0.95163675 
O       3.94060322       4.22574374       6.83812872       0.43446874      -5.49774051       0.51912716 
O       1.53045463       3.78088848       6.58951732      -2.95687007       0.64800897      -0.12548772 
O       8.93927352       4.12823152       9.00019790       0.26120828      -1.53188940      -0.40709440 
O       8.82752235       3.76863120       6.23304996       1.95828076      -1.18237058       1.90716798 
O       6.40919066       3.53116369       6.24206188      -0.20183929      -0.61946087       2.42765231 
O       6.37328741       1.03009188       9.13544590       2.07193615       2.16006520      -0.37059882 
O       7.58202717       1.63212539       1.56859671      -1.77207268      -0.98764416       0.80719244 
O       9.14097300       1.56361553       9.22061021      -0.90774746       2.41195625       1.85387615 
O       6.24148791       9.03548396       1.00035144      -1.31085791       0.00079011       1.88620453 
O       9.12487808       8.62919497       6.58542807      -0.91921884       0.30315136      -0.53161294 
O       0.72663299       5.89245584       8.68991442      -2.11063833       1.85831686       2.71870068 
O       8.63421059       6.43799082       9.25074586      -0.01255114       0.37561253       1.03753746 
O       9.23398905       6.36341161       1.66808663      -0.67797571       0.76230064      -1.11291320 
O       9.34698466       6.21938100       6.66554547      -0.55907790      -0.78616726       1.55696457 
O       6.01095793       9.03013437       6.27766297       5.72876665       2.03647104       0.01556117 
O       5.87458512       6.49568365       8.80265937       1.45320831      -2.79389216      -0.66530934 
O       4.14454518       6.22032578       6.44075777       0.81655862       1.33963837      -2.20172953 
O       6.33434174       6.18639844       0.68430046       1.73723228       3.03568954       3.63292933 
O       9.63140040       6.55473960       4.33031594      -2.15986329       0.07319160      -0.28397990 
O       9.82937066       1.11129839       1.45630537      -0.33281284      -2.12125800      -1.97598469 
O       9.19027330       8.79578726       3.88599414      -0.12901084       2.72211641      -1.40521391 
O       8.55443166       8.96270138       1.01174275       3.27933051       1.65814701       3.11480474 
O       6.73020053       3.75399317       3.43085668      -3.62839116      -1.07747576       4.02680749 
O       6.85158438       6.56480715       3.57834197      -0.35210507      -0.02496442      -0.74912826 
O       6.58169290       9.09693395       3.68252263       2.12845547       1.54690102       0.19053672 
O       9.20320482       0.50702208       7.25198194       2.42158883       1.86796643      -1.81165100 
O       1.76071836       6.39685017       6.15553456      -3.07749597       2.23344071      -5.11114695 
O       8.92049287       3.88769940       3.55049654       3.49841587      -1.57011149       0.96563899 
O       3.25224019       7.28282939       8.44325990      -0.16492158       3.31591338      -0.98058647 
O       3.84582884       0.55960291       8.50530280       2.36252978      -0.78156469       1.52915623 
O       3.98956954       2.93797014       9.39706312      -0.58572677      -0.30040390      -1.01906765 
O       6.62771927       6.09679081       6.34642497       0.56461137       1.67205541      -2.04660129 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.049381293287437296 0.00601039290237033 -0.00287297032065143 0.00601039290237033 -0.03482625554861673 0.003748642454288895 -0.00287297032065143 0.003748642454288895 -0.03104340301455983" pbc="T T T" energy=-928.20197988 free_energy=-928.2023242 config_type=crystal 
Hf      10.00111954      10.39158029      10.02951382       1.70900660      -0.77481799       1.00010630 
Hf       5.12842827       2.52387180       2.51195948       1.26262316      -1.35275210       1.20741683 
Hf      10.07649282       3.01931449       7.81433736       0.57291384      -2.88568422       0.08072887 
Hf      10.19053055      10.46518729       5.49310469       3.37886217      -1.26738741       1.57434260 
Hf       7.57396747       5.14008259       7.80758655      -0.68929210       1.36923274      -0.47814633 
Hf       8.15160416       7.45806016       5.25751461      -9.59394299       3.53070291       5.65987064 
Hf       7.96454459       2.74769431       0.07253579      -4.72890572      -1.78370303      -3.70446156 
Hf       8.01910783      10.33918701       2.69806600      -0.67488904      -1.22113600      -0.43855208 
Hf       2.59372678       2.52757097       5.08785196      -1.00761935      -2.67689523       1.41857344 
Hf       4.87282964       2.55179562       7.60245992       3.46911085      -4.93699941       1.28685493 
Hf       5.21854319      10.25965143       4.81643126      -1.15208211      -0.89864801       0.72765928 
Hf       2.05005552       2.60565019      10.46340008       3.00259251      -2.42748575      -1.22226579 
Hf       2.55311311      10.36541280       2.47427478       0.25233995      -0.19650341      -0.48894592 
Hf       0.06457478       2.54782893       2.52008785      -0.26113905      -0.57203114       2.59795124 
Hf       2.65127884      10.22446678       7.26098915      -5.06958139      -1.19436295      -5.34337582 
Hf       7.31548948      10.21790322       7.79498430      -0.91132628       0.75382614      -1.19748992 
Hf       2.34174663       5.52131235       7.61627007       3.50755275      -0.76247804      -0.96511992 
Hf       5.25553911       4.82270282       5.43924950      -0.86517297       2.39072549      -1.43592891 
Hf       0.24136407       5.11504943       5.03029937       0.22010974       1.98218746      -1.49941472 
Hf       2.58770306       7.71216076       4.52048784      -0.76442137       1.52161253       2.34579902 
Hf       5.10404872       4.94308746      10.23105808       0.62325998      -1.75177843      -2.46826626 
Hf       5.46503633       7.73402403       2.45212621      -2.11817563       1.17309875       1.56303640 
Hf       5.08929870       7.70754004       7.26388965      -0.66161866      -0.89190266       1.57956397 
Hf       7.39398818       7.65747183      10.32503619      -2.24848788       5.24097143      -0.34323102 
Hf       7.55197651       4.98198698       2.29991752      -0.36200643       1.61711616       2.83487566 
Hf       2.81714142       4.86693978       2.49370455      -1.54192600       3.85008914       1.80341066 
Hf      10.32352309       7.93758638       2.45016013       3.44215395       0.76582358       0.26255618 
Hf      10.31791184       5.08541993       0.14073857      -1.38466309       0.29266334      -1.21552027 
Hf       7.68818699       2.57273011       5.02341774      -1.26075185      -2.37115022      -1.35986602 
Hf      10.06703975       7.54209642       8.31900622      -0.95352510       3.06388449      -5.22475594 
Hf       5.06148017       0.08055426      10.21332185      -0.45887296      -2.50795271      -0.55686082 
Hf       2.25996081       7.30857928      10.33903347       0.80053877       2.76264538       2.28832674 
O       1.24668686       8.70293092       1.10043207      -1.20869582       1.22372219       0.11286245 
O       1.19253568       6.45653075       3.47377888       0.28402154      -1.78903424       0.72852622 
O       3.95733835       1.37037609       6.17273879       0.76189268      -0.27107633       0.88263345 
O       0.55045849       1.33343648       3.94316482       0.99362510      -0.44356099       1.81819293 
O       1.01753255       3.88805253       1.28413670       0.84424018       0.11732302      -0.34975118 
O       1.34067626       0.75333332       9.71257007      -0.37551015       2.60660570       0.38534373 
O       4.10077532       3.84127259       4.10599796      -1.37037091      -0.60880697      -1.44594156 
O       3.82645580       3.61270816       1.42764536      -2.56588529       1.60343451      -1.46702007 
O       3.41059924       1.02054200       4.00789596      -0.47841609       0.85042428      -1.47387986 
O       1.56615756       3.76048515       3.79403664      -1.39367299       1.92082610       0.64003841 
O       1.84356168       1.73333648       1.85346878       0.73428665       0.01355690      -1.46662558 
O       3.29000549       6.73749474       1.58365789       2.83906874      -0.64137067      -1.42458218 
O       4.58549435       1.15814259       1.27032226       2.32750845       4.37811112       1.23967765 
O       8.70932096       0.71059920       4.50420044      -4.44266779       2.35101534      -2.70227282 
O       1.17450461       9.23714984       6.10349860       1.16456428      -0.31511183       0.54576432 
O       5.99980253       1.33760883       4.06343014       2.13788681       2.41400258      -1.86178469 
O       5.92555227       8.85387425       9.10821327      -0.56618992      -0.04783134      -1.87829094 
O       1.37371889       1.48260097       6.44888938      -0.35078116      -1.65988534       0.95119130 
O       3.34095171       5.37972476       9.57934435      -1.64360208       0.07309561       0.30042607 
O       0.86715565       8.92000713       9.05425122      -1.30964441      -1.34294355      -0.33401172 
O       8.87121664       4.04172701       1.12801658       1.32450208      -0.15953945       2.17706122 
O       4.02246627       8.95026722       5.98291406      -4.72611373       0.16794203       0.97497217 
O       8.38708979       9.14261703       9.06458963       3.43119142      -0.21616594       1.27961424 
O       1.06481360       6.23176262       0.95650089       1.95993394       0.46627090      -1.31116233 
O       1.59081310       9.02177523       3.58082832      -1.54680814       1.16447708      -1.15796462 
O       3.95290697       6.62928375       3.85450606       2.63826646      -2.66819545      -1.17867274 
O       3.61032689       9.91752077       0.94146295      -2.03916815      -4.98290738      -2.94652593 
O       4.25609656       9.31431829       3.30007774      -1.09733986      -1.81534479       0.13994020 
O       0.88116780       3.64243531       9.20218154       0.75168956      -1.24418724       1.23479096 
O       6.06955797       3.85199019       1.23899744       2.31221062      -0.22052203      -1.40082917 
O       6.80685550       1.11802607       6.53123105      -0.60031964       1.32800280      -1.43624140 
O       6.57049615       3.90022399       8.93339403      -2.83482090      -1.66869516       2.45670201 
O       3.83969670       3.92298462       6.88826003      -1.65621384       1.13458391      -2.41032315 
O       1.29141981       3.86510748       6.60538848      -2.16064902       2.67258052      -0.94285068 
O       8.85807821       4.17661278       9.25812128       2.03623243       0.09013798      -3.59499699 
O       8.88797815       3.53907143       6.26620458       1.78291897       0.77801488       2.53752766 
O       6.41915093       3.50264298       6.33279693      -0.98289764       0.98709410       0.59993861 
O       6.43288781       1.10413847       9.16525144       0.67477423       0.42554052      -0.18023794 
O       7.39119548       1.53426088       1.41623846      -1.11826578      -2.11482314       2.83437158 
O       9.16203591       1.68186329       9.46262916       1.30177001      -0.44544923      -1.48686748 
O       6.27875156       8.96991730       1.07622982      -2.00539838      -0.07380108      -0.28833849 
O       9.16072146       8.38171592       6.58507526       1.05110962       3.22842268       1.39967007 
O       0.67086060       5.82383923       8.67551680      -0.18611935       2.86468014       0.33574611 
O       8.69131239       6.67093892       9.30853896       0.24774417      -2.92479286       0.76407095 
O       9.49332652       6.45470649       1.77726825      -5.14731190      -5.08309873      -2.34090311 
O       8.93401133       6.19519769       6.77083053       3.60842932      -2.34650976       0.27206646 
O       6.17960515       9.06898637       6.25234544       3.75496413      -0.62071372       1.32385589 
O       5.87035070       6.35808860       8.58187980       1.69036980      -1.61620065       2.21942637 
O       4.12926631       6.08755335       6.43852972      -0.17489745       2.28669696       0.70800864 
O       6.55313252       6.12303983       0.86755075      -0.90328712       1.15872689       0.21180651 
O       9.32347946       6.89892865       4.23886752       9.06455584      -9.74475353      -5.38045305 
O       9.81948618       1.08714094       1.48075368      -0.98752757      -2.14167515      -1.19810625 
O       9.28030554       8.85430001       3.80943755      -1.17877695       5.94463895      -0.31261683 
O       8.57014405       8.79413475       1.07074784       3.09878579       1.81117117       1.73207560 
O       6.56540016       3.71708045       3.48149833       1.14838697       0.14894677       2.94339099 
O       6.60298523       6.48474878       3.56370907       0.86729925      -0.69070087      -0.99789797 
O       6.54753959       9.14225270       3.51245756       2.10458545       0.83147291       1.37725710 
O       9.22633784       0.44697383       7.18301146       0.83650995       1.36563061       0.46397398 
O       1.72412350       6.54635545       5.87339585      -2.47276905      -2.86555003       2.52236012 
O       9.07631826       3.69143889       3.80782879       1.43687031       0.74911358      -0.65799586 
O       3.14288714       7.43560326       8.56197455       0.69906672       1.65039180      -2.99639859 
O       3.78262346       0.50384318       8.38886925       4.93989167       1.18667520       5.91854064 
O       3.95370344       3.01290301       9.19613082      -1.26410640      -0.22666869       3.38260990 
O       6.71099683       6.07780712       6.20340801      -1.48032721       1.19228744      -1.02967435 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04191993346929757 -0.010408553740893533 0.005475695872793004 -0.010408553740893533 -0.031832113630851956 0.003786641941492497 0.005475695872793004 0.003786641941492497 -0.03153937186698462" pbc="T T T" energy=-925.98774412 free_energy=-925.99707892 config_type=crystal 
Hf      10.23448691       0.02353817      10.34881487      -1.96932415      -1.04213436       1.14581474 
Hf       5.01319603       2.36491105       2.52630666      -0.38136857       1.19291078       1.50973844 
Hf      10.39499153       2.37012667       7.97578268      -0.19103579       3.72794789      -4.01131083 
Hf       0.10874664      10.33731974       5.39989083       4.52754055       3.86828207      -0.57958713 
Hf       7.69215504       4.86966246       7.90757403       2.04095046       3.11800235       1.19036672 
Hf       7.95400701       7.58340138       5.07758933      -1.47328630      -0.66765906       3.58224757 
Hf       7.61891760       2.35179345       0.03996634      -3.03582540       1.10954994      -1.94053462 
Hf       7.73653319       9.81668469       2.24993189      -1.01317946       1.43023578       0.02085284 
Hf       2.50820578       2.22549258       5.00022433       2.82376975       0.59179207      -0.71544769 
Hf       5.25218773       2.80304481       7.87466055      -6.79617751      -9.61374006       2.01361731 
Hf       5.25778349       0.08139857       4.94516751      -1.15563555       2.74233691       1.72146805 
Hf       2.52022349       2.65243954      10.20670208       1.71310539       2.78509426       0.90669521 
Hf       2.51575777       0.01003646       1.90697754       4.74849024      -2.84707561       3.80636405 
Hf       9.85973761       1.84975390       2.81739795       1.55667208       1.36551858       2.72138763 
Hf       2.56931949      10.35498825       8.26912054       3.45942250       2.84897890      -4.21348551 
Hf       7.75610551       0.13925038       7.50032802      -2.17418565      -2.12921462      -0.45722579 
Hf       2.24266604       5.13548583       7.57245876      -0.11387091       0.80696152      -0.47756570 
Hf       5.13476105       5.33934020       4.93288626      -1.34415242      -1.06076731       0.13639869 
Hf       0.00676860       5.04353273       5.10446454       2.66081609      -2.64048984       0.71403659 
Hf       2.67937944       7.92271193       5.07596906      -3.48093797       0.38830815      -6.12343089 
Hf       4.55150306       5.13566062      10.22256832       6.36744054      -4.87088299      -6.90816754 
Hf       5.16484258       7.87752484       2.41565768      -2.77938053       1.11782085       0.43526357 
Hf       5.18986528       7.56693941       7.57804018      -0.77889595      -1.70036449       0.73347902 
Hf       7.47655415       7.73825133      10.10791696      -3.20196875      -0.44013885      -2.25839925 
Hf       7.60490409       5.40980190       2.70193514      -0.35113794      -3.85331989       2.29862795 
Hf       2.25412653       5.14857350       2.34448281       2.50058425      -1.72049863       2.65795391 
Hf       0.03811455       7.95911892       2.59911185       0.93466797      -3.10614527       1.46476779 
Hf      10.36031932       5.25891405       0.09635100      -2.59634652      -2.47138846      -1.57562393 
Hf       7.85789150       2.41883930       5.25243379      -1.93582054       2.46786776       0.34781130 
Hf      10.43174182       7.90175242       7.59186195      -1.71436705      -0.30311530       1.04447323 
Hf       5.38197458      10.40832296      10.09740534      -1.12928561      -1.05019632       1.16947664 
Hf       2.35741202       7.68045864      10.13400082       0.89568119      -0.99504244       0.69979130 
O       1.49573029       8.62640971       1.64946831       1.26231718       4.72656632      -3.44839304 
O       1.38819564       6.54299873       3.24597439      -1.54734140       0.29944837       1.13815373 
O       2.86699947       0.47926090       5.98839113       0.76681756      -4.86966573       2.62512267 
O       0.93479190       0.86659048       3.81577201       0.05976139       1.05911990      -3.28031365 
O       0.96335583       3.98442499       1.49089648      -0.17991187      -1.04633766      -1.48381168 
O       1.57515661       1.59756056       8.86017773      -2.30480319       0.00915639      -2.19437467 
O       3.73463583       3.78992228       4.13374877       2.86870240       0.59541607      -2.44862851 
O       3.77063799       3.85021324       1.05531291      -1.53899695      -1.62386865       1.09548807 
O       3.60809173       0.83146193       3.95907553       0.64557232       1.70549017      -5.23241454 
O       1.39858815       3.92676072       4.18542407      -0.56727910       1.00696259      -1.50406426 
O       1.56063549       1.17858633       0.65875205      -2.70051626      -0.80444541       1.36238910 
O       3.66920743       6.24473578       0.74204249      -5.13503730       8.01854301       7.03379142 
O       4.20875197       1.26424506       1.07332064      -2.56304878      -0.01226983       0.60474113 
O       8.35385259       0.76173757       4.29127251       3.54633889      -0.40850003      -2.65245750 
O       1.35644150       9.45708699       7.12014414      -4.25176120      -3.97772696      -3.74437297 
O       6.20298161       1.66614159       3.98663524      -1.00431006       0.62305122      -0.42214116 
O       6.26634346       8.96757507       8.66495557       2.28815625      -0.10814990       0.41626350 
O       1.01703362       1.77171666       6.06966389      -4.68327782      -1.07620818       3.91754265 
O       3.37873793       6.13987043       8.93081464      -0.43607214       5.38647489       0.70924764 
O       1.29774192       9.48426237       9.45825209      -0.63536698      -2.31665902       3.13869379 
O       9.28307396       1.98732896       0.91348167       1.66143687      -0.11644030       3.17471637 
O       4.33088363       8.13209569       5.76734205       4.38133091       1.68601338       2.05623947 
O       9.28174433       9.06760442       8.84135626       0.22322004       0.15928737      -1.03020648 
O       0.81636684       6.66814632       0.92274677       1.85991895       0.83201013      -1.65897633 
O       0.75403455       8.54600794       4.36579175      -1.06770811       2.63935758       0.56584912 
O       4.04064397       6.49115660       3.44776231      -1.67862816      -1.27440938       0.57729832 
O       3.94262570       9.32574581       0.70930683      -2.96886500      -1.43995168      -0.36472098 
O       3.13918545       8.94706184       3.22706930       2.38833951      -0.86483797       1.36533358 
O       1.20010651       4.23219594       9.38738482       0.20146118      -2.74117141       0.22038882 
O       6.42906210       3.54303184       1.86671689       2.61463274       1.44939934      -0.20854435 
O       6.41267591       1.39078079       6.44529350       1.42148441      -0.13523228       0.78840085 
O       5.89100994       3.23276427       9.77019927       0.48995361       2.28293345       0.27223544 
O       4.11644825       2.29157753       6.23294959       0.19552427       2.37142358       1.42129970 
O       0.78368216       4.05328327       6.68308515       0.61971162       0.36242773       2.13469668 
O       8.88232766       3.58639446       9.50455686      -0.44424275       2.85923333      -1.19888817 
O       8.80350451       3.72898994       6.81743693      -0.44905768      -2.14508820      -0.31875652 
O       6.13126888       4.01700260       7.08783634       4.50178376       6.37039963      -3.77779901 
O       6.52888935       1.07229348       8.83903402       2.82945938       0.63516237       0.36776191 
O       6.51884117       0.88102567       1.02329796       2.69426708      -0.45803141       1.06707733 
O       9.20406577       1.29332361       9.21493680      -0.20858875      -2.75679248      -0.90620243 
O       6.23299250       8.73254964       0.88217015      -0.58145822       1.66274192       0.93205983 
O       9.45588495       9.10917941       6.21527092      -4.47154301      -4.45452542       0.97068307 
O       1.00354552       6.46518222       8.74000545      -0.75564178       3.19224803      -0.39954198 
O       8.57646898       6.41321983       9.44027199       3.08294629      -3.51342661       0.52087366 
O       9.37546329       5.42894563       1.95194609      -0.69640726       0.22963740      -1.58854018 
O       8.95056917       6.18275568       6.99545412       2.29443313       3.39733026      -1.61436137 
O       6.79769088       9.56003965       5.82571718       1.44613409      -2.50057134       1.41613986 
O       5.97380135       6.29862279       9.10780854       0.24504835      -0.03855330       0.55826177 
O       3.99289109       5.62786539       6.54212605      -0.91433012       0.33547293      -0.11387935 
O       6.73694003       6.56643516       1.50664644      -0.75512959       0.49316637      -2.78624463 
O       9.02181856       6.05586431       4.34142937      -2.61581075       1.95910421      -1.03627198 
O       9.66286881      10.43016131       2.16800530       1.48192922      -0.89974263      -1.33876926 
O       8.73371170       8.42182187       3.47127369      -2.51659810       0.82102990      -0.69155568 
O       8.55954210       8.96123925       0.62442396       3.79603268       1.57983997       1.44612202 
O       6.81783591       4.28153078       4.66690809       0.37101746      -0.06683660      -1.65403065 
O       6.21822888       6.75298335       3.77479684       4.05128386       1.32545735       2.31280064 
O       6.05357922       9.76602085       3.26910459      -1.56991301      -3.17970559      -0.09421376 
O       9.21173330       1.19159812       6.68663110      -0.27564761      -0.15445101      -0.16866769 
O       1.49001983       6.50037931       5.73628664      -1.34272843      -1.06530572       3.31651739 
O       9.40912343       3.34150840       4.27658477      -0.78366556      -1.33567437      -1.80706391 
O       3.83436720       8.87858306       8.37561590      -1.32319261      -1.24635527       1.46102247 
O       4.08847419       0.99319518       9.00593798      -1.07757994       1.78010445       0.37397325 
O       3.52535956       4.04011427       8.69892362       1.83716156      -5.14997980       0.59278292 
O       6.48050965       6.48686640       6.53154870       1.37640949       0.83102622      -2.00305902 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02111403804725897 0.001307577431103656 -0.004231604538465127 0.001307577431103656 -0.00653189875207047 0.0024047218764659184 -0.004231604538465127 0.0024047218764659184 -0.032006015332064444" pbc="T T T" energy=-930.34421739 free_energy=-930.34512213 config_type=crystal 
Hf      10.21105644       0.01854694       0.00093924       0.19592002      -0.31541963       0.60319341 
Hf       5.02040724       2.37870424       2.57622101      -0.29825777       4.49007251      -1.27974697 
Hf      10.27609697       2.44071931       7.86291476       0.46331878      -0.84726857      -0.33464430 
Hf       0.11318316      10.29977842       5.29185013      -2.44751458       4.39434088       4.72912832 
Hf       7.72864880       4.88879656       7.88535115       6.41091958       3.89145955       2.34078003 
Hf       7.86842144       7.61678207       5.11325144      -1.18917301       1.70481268       3.66448167 
Hf       7.68927631       2.47391349       0.08971501      -1.72220886       0.38634710      -0.52731755 
Hf       7.64392260       9.83057951       2.26825716      -1.57866054       2.11639914       0.84477877 
Hf       2.58211338       2.20042414       4.98959234      -1.56303845       0.61603783       1.03036416 
Hf       5.15862179       2.78485183       7.84061997       3.02651688      -2.13963783      -1.32571480 
Hf       5.24253130       0.15335840       4.93856711       0.84910819      -0.69946351       1.78994628 
Hf       2.58845139       2.80045537      10.16775997      -4.00112973      -3.11494929       2.09415409 
Hf       2.57541679       0.01050095       2.06954128       1.63978951       0.27735903      -2.10536750 
Hf       9.79223156       1.73194542       2.82766571       0.82016231       0.83102251       3.16612641 
Hf       2.62219453      10.44332821       8.30008866      -2.00757915      -0.95910588      -2.73672252 
Hf       7.85355714       0.11509575       7.47772552       0.81719349      -3.77916140       1.58122050 
Hf       2.17082720       5.08464909       7.64074946       1.02420084       2.64852559       0.96000823 
Hf       5.12872927       5.28257205       4.97645182      -1.03394286      -0.01290856      -0.56964306 
Hf       0.04473976       4.97499137       5.12202484      -4.58610038       2.41022490       3.65147878 
Hf       2.64860399       7.99508832       5.14748512      -0.08742410      -0.51834679      -2.83793975 
Hf       4.56015453       5.17293704      10.18343279       2.19288957       0.36845943       0.65241424 
Hf       5.02550878       7.86904596       2.42367510      -1.90702308      -1.99196732       0.42159202 
Hf       5.19849204       7.50102391       7.63775707      -0.89256878       0.97709690      -1.45818025 
Hf       7.58951898       7.67122327      10.08744162      -0.45474993       0.08665126      -0.95133924 
Hf       7.64567025       5.40879620       2.66740527      -1.83927433      -2.20647700       2.15371008 
Hf       2.21789684       5.12706536       2.30498996       2.90285234       0.89089854       2.55585600 
Hf       0.00695186       7.96040783       2.47588783       1.63573652       0.58390985       0.60927201 
Hf      10.36262188       5.25858394       0.08565046       0.11850852      -1.86535086      -4.64905524 
Hf       7.85635768       2.48926552       5.16711312      -2.71846494      -0.07761446       3.26921140 
Hf      10.43799380       7.84208388       7.52776955      -3.20515704      -0.73484778       2.55784688 
Hf       5.44951045      10.33845113      10.11555927      -0.88704746       0.00147447       0.70366514 
Hf       2.28351782       7.61188128      10.05047510       0.45672632       5.00110330       3.52183808 
O       1.45063876       9.03677884       1.39556949      -3.84632171      -1.60730943       2.73766619 
O       1.35846294       6.60705784       3.38273299      -2.42716630      -0.16448487       0.16126850 
O       2.98788303       0.26019057       6.26234161       1.93739870      -0.25047867      -1.65033759 
O       0.89111728       1.12008477       3.66415142       3.96652623      -1.23799072       1.12382291 
O       1.07127983       3.91856621       1.18938347       0.52062943       0.59761736       0.46762755 
O       1.56617672       1.50025724       8.97732078      -1.68540329       1.45727251      -1.61486875 
O       3.94358462       3.86159816       3.89504165      -0.72306160      -1.23967700      -1.44969500 
O       3.76312985       3.63105876       1.22264547      -0.51154875       2.10872419      -1.76346524 
O       3.67891724       1.11030452       3.66082442      -0.06971935      -1.12204236       0.43128542 
O       1.38236554       4.02236182       4.46320779       4.23988214      -2.75154603      -3.35124033 
O       1.35722165       1.28481438       0.86802183       1.74694634      -1.06628542       1.35123773 
O       3.53272295       6.34851894       1.28126446       1.15294684      -0.81497170      -5.29577765 
O       4.30766028       1.21205776       1.19316606      -1.52390760      -2.66629682       0.23783305 
O       8.66791625       0.73832018       4.34161787      -0.38743281       0.20775809      -3.22219639 
O       1.02654447       9.30525665       7.00625011       4.09290761       2.36664647      -1.51529975 
O       6.13801916       1.93152643       4.09892814       0.65620675      -4.27480754       0.82538438 
O       6.52760284       8.80357851       8.73212314      -0.74761540       0.54452172      -0.21401249 
O       0.89428205       1.61291688       6.22471342       1.58235337       0.57178154      -0.34504489 
O       3.39422037       6.48037788       9.00944228       3.14702082      -2.65306773      -0.63797993 
O       1.17251164       9.45923748       9.65312090       2.57516410      -1.98669721      -2.92131502 
O       9.44861680       1.97606702       1.04515034      -2.30480632       1.17134721      -3.20363620 
O       4.48946351       8.30736341       5.84024677      -1.86779506       0.15832837      -0.81871378 
O       9.16831605       9.27352167       8.77230341      -0.26623095      -4.89695955       0.77157215 
O       1.09119199       6.66426933       0.81387620      -1.42159902      -0.69077622       1.60650013 
O       0.56622320       8.77090177       4.37883588       2.52532583      -3.05332150      -3.63810991 
O       3.77646065       6.42567179       3.34860072       1.94103877      -0.70046499       4.78544630 
O       3.61391973       9.07368371       0.60496646       1.81494644       1.11349847      -0.47308600 
O       3.42779406       8.79264248       3.18003503      -1.59258092       1.95528180       2.36434896 
O       1.10126707       4.02287686       9.17088906       1.33220978      -0.28948058       1.58595701 
O       6.55868285       3.62031970       1.82238165       2.19053416       0.25998400       0.27228084 
O       6.67212453       1.58079444       6.76505266      -2.30071480      -0.13322535      -2.31267159 
O       6.02135390       3.44123371       9.81070681      -1.62524745       2.22617910      -1.96425267 
O       4.19619965       2.53099363       5.98953560       0.57969626       0.02530036       2.87212608 
O       0.79055112       4.03114861       6.91862625       1.10746147       0.61618411      -2.70102141 
O       8.86643578       3.52185945       9.46397773       1.22398998       2.03719380      -2.41129492 
O       9.05809441       3.78306514       6.79242533      -2.63226562      -0.63176921      -0.61307756 
O       6.36074095       4.16778768       6.99928643      -4.49204847      -3.06768669      -0.97759894 
O       6.95317183       1.15613256       9.01377811      -2.47539593      -0.61088413       0.45219303 
O       6.68983093       0.96615261       0.83469096       0.29100805      -3.02981350       3.77699545 
O       9.29110551       0.86615613       9.00767768       0.86677422       4.68968681      -0.15429353 
O       6.18237346       8.70257371       0.90281724      -0.76231853       2.24449000       0.01439633 
O       9.32531565       8.92518319       6.27317706      -1.42688564      -0.10552746      -2.39191702 
O       1.06169363       6.54091124       8.78411001      -1.17937189       0.05894612      -0.26069396 
O       8.68683673       6.08720535       9.50365792      -0.02111220       0.67237075       1.25201604 
O       9.39918347       5.60495058       1.66225319      -1.61448965       0.77360952       2.81661499 
O       9.14284551       6.40886705       7.05551190      -1.20923847      -0.84758864      -1.48826410 
O       7.09051223       9.37920402       5.72214732      -3.31018829       3.24022290       1.37352157 
O       5.93789977       6.26279312       8.91392700       1.28889967      -2.45737262       3.25410409 
O       4.07144621       5.39723482       6.72772485      -1.39732396       1.07900964      -0.36027277 
O       6.73211438       6.51267082       1.39070166      -0.62977634      -0.34747878      -1.48768608 
O       8.76626148       6.13870993       4.39618413       3.95615343      -3.89014620      -2.37735787 
O       9.72542759      10.28900074       2.12684833       0.02474180       0.03659157       0.42953702 
O       8.47302587       8.43283765       3.25216871       1.00322750      -2.16673359       1.42540382 
O       8.50546010       8.90171651       0.86810661       3.26857689      -1.90358591      -3.28806287 
O       6.62338574       4.17112075       4.55220639       2.47419686      -0.58180965      -0.95153971 
O       6.39900203       6.53088263       3.97979338      -0.74965188       2.45173971      -3.21484406 
O       5.91885913       9.40084634       3.49469223       0.13867560       1.03839719      -0.96232975 
O       9.15558444       1.14201763       6.53413448       0.16304889       1.37849638       0.17789881 
O       1.40099705       6.61561751       6.13969219       0.60799361      -0.38714490       0.05455529 
O       9.31503679       3.29178129       4.30674595       2.26161488       1.61501291      -3.21263756 
O       3.91849577       8.96975947       8.36492112       0.12263278      -0.42924030       0.94989997 
O       3.99386215       1.15471512       9.30414975       1.09958973       0.62014650      -1.78659691 
O       3.64678652       3.75771935       8.68938044      -0.88494394       1.98372235       1.32705874 
O       6.48758983       6.60617114       6.28956796       0.13023280       0.32387489       1.87780852 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005110937860216216 0.005526044360564421 -0.006736645804137801 0.005526044360564421 -0.019281686487582533 0.0165766715387088 -0.006736645804137801 0.0165766715387088 -0.0218037276330727" pbc="T T T" energy=-929.3442256 free_energy=-929.34437473 config_type=crystal 
Hf      10.19138103       0.00212956       0.15697406       2.24785944      -0.26190757      -0.57570276 
Hf       5.03200201       2.47103047       2.61295695       2.91893507      -1.69553197      -3.10290110 
Hf      10.14047344       2.51673521       7.71810912       2.48967816      -1.18616245      -0.05634943 
Hf       0.09689179      10.32157690       5.22160424       0.01393120       1.11312216       0.58181952 
Hf       7.86055463       4.97162481       7.88938189      -2.34470753       0.95710269      -0.70263609 
Hf       7.74691964       7.67642340       5.20010196      -1.25741097      -1.33192115      -3.44630192 
Hf       7.73783885       2.63575548       0.13441406      -4.36570157       0.77250284      -3.44322198 
Hf       7.51035254       9.86190003       2.30566744       2.12073223      -6.60076334       4.73423962 
Hf       2.65002949       2.18733501       4.98561362      -2.66796754       0.55598064       1.37401833 
Hf       5.08895907       2.71445722       7.78466547       3.76334638       0.45621959       0.51886880 
Hf       5.23290784       0.22007321       4.97282214      -2.74767738      -8.22929171       4.55421597 
Hf       2.60301071       2.92810188      10.16091445      -4.21525972      -6.65676320       2.17641489 
Hf       2.67272911       0.00471283       2.23658769      -2.30237358      -1.10111856      -2.13891397 
Hf       9.75772659       1.61281630       2.86501340       7.05313640       4.60589697      -4.79827424 
Hf       2.65927114       0.07870907       8.29239841      -0.10879253      -0.59174553      -2.12899911 
Hf       7.98373333       0.02547975       7.47762473      -1.49499751      -0.08417266       1.09575960 
Hf       2.10682869       5.07171141       7.74751559       1.93975169       1.40094287      -0.45657454 
Hf       5.10631727       5.20433302       5.02191281       1.03750808      -0.87083062       1.20020067 
Hf       0.03711021       4.91426794       5.18503031      -0.61675766       1.54967873      -4.37697779 
Hf       2.60219749       8.07913577       5.18004223       0.88124524      -0.90732183      -0.09335790 
Hf       4.62450240       5.21750861      10.13682816       3.88839641       0.34921194       2.59531632 
Hf       4.81756025       7.81818483       2.43479784       0.51440751      -0.92256855       0.19957559 
Hf       5.19118496       7.42935242       7.69843539      -1.10074387       1.62658550       0.38074466 
Hf       7.71921749       7.58222446      10.04726910      -1.08151408      -1.26530686       0.92000361 
Hf       7.66847662       5.37068615       2.66199435      -0.01305388       1.59748100       0.67397771 
Hf       2.22567710       5.11360771       2.30287035       1.01461080       1.12170217       2.72845799 
Hf      10.45200134       7.96323810       2.33066460      -3.70779926      -3.22176229       2.02569970 
Hf      10.36867344       5.22239999       0.00897027       0.57990099      -0.26086278       0.43112468 
Hf       7.81361048       2.58951758       5.11398585      -0.58272464       0.40130233       2.02181234 
Hf      10.39982284       7.78125778       7.49239390      -1.71924724       2.09309453      -0.29931818 
Hf       5.51278345      10.25182198      10.15070373      -2.59638023       1.58043870      -1.54475018 
Hf       2.21305172       7.60455881      10.00463116       4.35782815       1.42851366       3.86948451 
O       0.90477766       9.30929001       1.44181848       5.19707956      -1.13329732      -2.80593601 
O       0.94908904       6.53378198       3.60265150       1.69352866      -2.89789563      -0.44388395 
O       3.50151849      10.38982291       6.31841092      -0.54212813       4.23623137      -0.01687765 
O       1.38560368       1.23521789       3.64947027      -3.13510825      -2.13069837       1.75457787 
O       1.27723424       3.95632826       0.95799274      -0.71469903       0.83223257       2.33443508 
O       1.30209816       1.53509482       8.81145778       2.71168508      -1.15671030       1.28050886 
O       4.16703139       3.80229814       3.40016695      -0.81110830       3.29195065       3.15301995 
O       3.71356810       3.70396463       1.13396243       1.69078963       0.75604913      -0.62403228 
O       3.73381319       1.25335665       3.49893805       0.84069633      -0.38516592       3.15007665 
O       1.87539819       3.83536369       4.28792992      -1.65780081       1.73459741      -0.65823427 
O       1.34699450       1.20691352       1.32658321      -0.55970058       0.42215070      -2.80553532 
O       3.50240121       6.45563725       1.27572219       1.25671742      -1.18902311       0.09642048 
O       4.21789985       0.73459181       1.32471813       2.62751138       1.64389811      -1.21656926 
O       8.84386322       0.59559722       4.04146044      -3.97821188      -0.74556012       3.17996940 
O       1.17015549       9.34382261       6.53496393       0.46931742      -2.15342635       1.21995114 
O       6.16744907       1.55906483       4.26245676       3.13979040       4.07395179      -4.17561705 
O       6.66616643       8.72100605       8.74533902      -2.04093187       0.91746901      -0.26065912 
O       0.98685465       1.45670654       6.34162831       1.55894088       0.05256199      -2.28433460 
O       3.84954141       6.59454361       9.02160212      -4.02712435       0.35429955       0.17128499 
O       1.36350461       9.17897640       9.38154635      -1.68220106       2.38227514      -1.88380607 
O       9.32918531       2.11313792       0.83142708       3.37500173      -1.84521111       1.88603286 
O       4.45470945       8.47989515       5.88373174      -1.08379626      -3.62199141       0.65349802 
O       9.03345938       8.74933261       8.77433165       1.68744747       0.10743630      -1.43080047 
O       1.14755383       6.52441944       0.98331299      -0.58385782       0.63314133      -0.56992127 
O       0.72777695       8.81470910       3.95848210       0.62949853       2.47617118       2.61814323 
O       3.74661973       6.24300656       4.04622224      -0.72393014       1.86856787      -0.54313173 
O       3.48364505       8.95612055       0.49001158       0.36706857       0.18779255       2.19781141 
O       3.42774707       8.95326798       3.57582831      -0.87714935      -0.13371991      -1.69485087 
O       1.17190900       3.79099841       9.13482474      -1.46503283       3.46422121      -1.04098697 
O       7.12843536       3.67898945       1.73970903      -0.94056721      -1.98598240      -0.87772020 
O       6.66294138       1.67791491       6.79239163      -0.44447501      -1.51824650       0.25635807 
O       6.00773015       3.98027451       9.55217189       1.90141429      -5.67078221       0.32737761 
O       4.27118296       2.83392052       6.06791164      -2.43177668      -1.08472254      -1.52980527 
O       0.88366870       4.03697337       6.68764852       0.90809628      -1.07464459       1.24498626 
O       8.97602056       3.73451589       9.03076810      -0.42550752      -2.33145255       1.32811157 
O       8.87984183       3.76705028       6.54853105      -0.28845601       0.08669156      -1.48974129 
O       6.17980735       4.08718004       6.78545976       2.00771040       1.51126612       1.02438136 
O       7.05273040       1.13362133       9.30425493      -1.66548092      -1.22045591      -0.52060522 
O       7.01183906       0.71844780       1.21626925      -1.41958835       6.35728218      -2.80607763 
O       9.53086103       0.97309683       8.73225994      -1.74861205      -2.04095592       1.26168413 
O       6.00766139       9.02501180       1.01797726       1.51489629      -2.81429059       1.66957043 
O       9.03085005       8.69387996       6.09428029       4.28668021       4.05359984       1.32352123 
O       0.89488647       6.60028306       8.84039598      -0.43148567      -2.69710438       1.66618688 
O       8.75068149       5.86071479       9.64023157      -1.52078474       2.85523200      -1.75086300 
O       9.26432701       5.93442426       1.63973380       1.38994286      -0.82679669      -1.23134460 
O       9.07846048       6.38595308       6.82608306       0.07491927      -1.07804228       0.63871018 
O       6.85284220       9.71458105       5.83632059       0.18956363      -0.18211302       0.84478649 
O       6.16259234       5.98822168       9.06026259       1.56437597       4.49630941      -3.41019316 
O       3.92071503       5.35687213       6.82511033      -0.16536465       1.21624689      -1.47625620 
O       6.57023795       6.42517182       0.95664218      -0.71169121       0.02656687       1.76990061 
O       9.03383156       5.74066611       4.21538702      -2.20714125       1.63707264       1.18628222 
O       9.70725115      10.22187117       2.16263991      -3.48119542       1.68662689      -0.85361781 
O       8.28099067       8.13785995       3.19984682       1.62047658       0.40174615       0.66675898 
O       8.99610928       8.60954081       0.71544327      -0.69373316       0.72329398       0.21171159 
O       6.77581076       4.00982070       4.22371518      -0.78206803       1.28745565      -0.23595839 
O       6.44294499       6.63062029       3.71192491      -2.73012184      -1.03594375       0.20971598 
O       5.84565414       9.18556236       3.59895170       0.81144319       1.89593617      -1.21230851 
O       9.05868334       1.26758629       6.31519812       0.45774021      -1.09659710       0.12040087 
O       1.42210204       6.64279352       6.58827195       0.70064926       0.21559076      -2.67957652 
O       9.49522258       3.40192915       3.84144685      -0.36058355      -1.83011547       1.05094433 
O       4.04975239       9.02100512       8.54053443       0.17711843       1.33635326       0.36917488 
O       4.05347166       1.40674247       9.32490401      -0.10498692      -1.58832331      -1.45129832 
O       3.65800284       3.79467634       8.86475952      -0.16864380       3.17611470      -1.64557342 
O       6.45667654       6.72022896       6.35239206      -0.05645665      -1.38773165      -0.21517312 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009121360835176158 0.011187754394424878 -0.005784458273628056 0.011187754394424878 -0.02881885796520044 0.009640652191196922 -0.005784458273628056 0.009640652191196922 -0.023427125326081905" pbc="T T T" energy=-928.84801705 free_energy=-928.84871278 config_type=crystal 
Hf      10.19538477      10.46110945       0.20077584       1.67383806       0.55162203      -0.45903899 
Hf       5.04457893       2.50183825       2.61108581       3.16864493      -3.74493556      -1.84755119 
Hf      10.10859046       2.53239170       7.67902948       2.79044051      -0.84908252      -1.52583965 
Hf       0.08849674      10.33435853       5.20836774       1.03865095       1.05672313      -0.07839941 
Hf       7.89707905       5.00036332       7.88951450      -4.63770203       0.54171903      -1.03887593 
Hf       7.71042432       7.69091092       5.21556943      -0.72643638      -0.73856965      -2.18505896 
Hf       7.73956818       2.68678657       0.13718122      -4.57808707      -1.18893465      -5.55144315 
Hf       7.47633415       9.85317049       2.32775196       1.12892237      -4.43072286       4.57857107 
Hf       2.66065279       2.18707482       4.98827078      -3.44773782       1.08067740       2.60767325 
Hf       5.08556133       2.69186875       7.76951617       3.47115390       1.22316095      -1.02968526 
Hf       5.22542158       0.21386989       4.99748260      -3.00230267      -5.34846494       2.51175140 
Hf       2.58674373       2.94014962      10.16884720      -2.91072702      -4.88477056       0.68039151 
Hf       2.69420230      10.46545449       2.27359021      -1.57726897      -0.55243360      -0.90437633 
Hf       9.77562212       1.59356205       2.85948693       4.46696382       3.80914643      -1.82310884 
Hf       2.66601358       0.10656099       8.28455923       1.11069015      -0.82215123      -3.57628607 
Hf       8.02057309      10.46102268       7.48353311      -2.79162936       0.69721666       0.43852485 
Hf       2.09724636       5.07824744       7.78285335       2.07393916       1.30113282      -3.13461020 
Hf       5.10317500       5.17822739       5.03675576       1.39040945      -1.86573297       2.33504895 
Hf       0.03002334       4.90128022       5.19349695       0.41343078       2.15246418      -5.69205647 
Hf       2.59140244       8.10068557       5.18627642      -0.15802766      -2.36775328       1.39746426 
Hf       4.65834821       5.23255366      10.13177466       5.69396036       0.30707804       2.50027748 
Hf       4.75588911       7.79426852       2.43618022       1.62166286       0.04985621       0.41009971 
Hf       5.18424169       7.41364883       7.71718705      -1.37177856       2.54847000       0.26162920 
Hf       7.75668492       7.55177242      10.03974704      -3.79870319      -0.10204292       0.84019699 
Hf       7.67170220       5.36293928       2.66382907       0.63105085       1.68235331       0.38074691 
Hf       2.23422547       5.11487590       2.31278602       0.88421512       0.75839917       4.14578957 
Hf      10.43572504       7.95813248       2.29121194      -3.69858242      -4.51818982       4.07446704 
Hf      10.37545438       5.20860428      10.45090040      -0.87833941       0.26681290       0.32457462 
Hf       7.79816540       2.62179545       5.10784941      -1.49864793      -0.94885895       0.78828293 
Hf      10.38234114       7.77441121       7.48663100      -0.35747071       0.73851388      -1.19374836 
Hf       5.52243988      10.23098471      10.15892932      -2.53004559       1.25663839      -2.11635734 
Hf       2.20643373       7.61561834      10.00619732       3.98552327       1.92222424       3.23159441 
O       0.86308964       9.30678074       1.43093112       5.26253855       0.12043010      -3.55997897 
O       0.86935313       6.37871089       3.65293280       2.16028806      -1.14810658      -1.00262472 
O       3.67094314      10.44351169       6.27218057      -1.78252513       4.07394747       1.84190467 
O       1.48734362       1.18499489       3.75075765      -5.07787041      -2.85078238      -0.74747472 
O       1.32892261       4.01819449       0.99224579      -1.28133974      -0.59379760       0.73067935 
O       1.31111521       1.50739958       8.79878038       2.44245809      -0.01029717       1.51699541 
O       4.21183625       3.85536230       3.35017452      -0.70659877       3.85830707       2.72790282 
O       3.75976036       3.78161902       1.06295418       1.49085145      -0.27493251      -0.50062033 
O       3.74677097       1.26126533       3.65183092       2.50594099      -0.44739968      -1.18055018 
O       1.98276246       3.82248692       4.20450144      -2.13316704       2.14682160      -1.29330783 
O       1.36251514       1.17940405       1.37195241      -1.13793409       0.87151722      -2.77928106 
O       3.56547702       6.42324499       1.20447489       0.30602850      -0.53346821       1.03811820 
O       4.28254705       0.61871684       1.31887339       1.57411507       2.68525285      -0.18753601 
O       8.70106742       0.49396508       4.08339044      -0.71758562       1.57731002       0.34862565 
O       1.27659161       9.32669677       6.39247980      -0.06477088      -2.07381662       2.27278070 
O       6.26018431       1.48293557       4.18302898       1.80186141       4.21095343      -3.80333677 
O       6.59894287       8.73422088       8.72203184      -0.17851149       0.89122448       0.49184290 
O       1.13693148       1.41287242       6.25574654      -0.43207618       0.01809143      -0.36699229 
O       3.91244233       6.57959264       9.00416993      -5.22832963       1.10622394       0.88211513 
O       1.37531917       9.18195100       9.18121282      -1.36098031       0.22587519      -0.44037456 
O       9.32915904       2.12057646       0.76714022       5.01625978      -2.40105902       2.29898618 
O       4.36857723       8.40630395       5.91001656       0.10371028      -2.84333097       1.23090433 
O       9.04491662       8.53502251       8.74965350       1.38263073       1.24984923      -2.15996569 
O       1.07570986       6.45453861       1.07118292       1.27013058       2.16759456      -1.55860985 
O       0.83119797       8.90286067       3.90023843      -0.96561948       0.92509719       1.24758634 
O       3.75082903       6.23920335       4.32430478      -2.44332807       3.17599068      -2.76777008 
O       3.49967330       8.95725267       0.54234017      -0.95530247      -0.98320645       1.92333182 
O       3.32119005       9.04382102       3.69407941       1.52612390      -0.06513472      -3.97369627 
O       1.16845766       3.86449877       9.11166921      -1.72123613       1.45328783       0.06147168 
O       7.28757089       3.60397568       1.67809420      -1.77314179       0.93235241       1.70575521 
O       6.62548327       1.63262809       6.77537233      -0.54081059      -0.04617340       1.01512783 
O       6.06853228       3.97775393       9.47358141       0.93840403      -4.91038502       0.53401537 
O       4.16529118       2.86710047       6.02295889       0.61823578       0.04280712       1.10007004 
O       0.90576264       3.99264587       6.55479822       2.21970780      -2.07430324       4.86576219 
O       8.97517552       3.70928805       8.93439104       0.29507334      -1.58060778       1.85590779 
O       8.76443952       3.79086005       6.39179333       1.70221557      -0.21387480       0.52366317 
O       6.19785401       4.11893889       6.77369219       1.05698044       0.51496975       0.61483320 
O       6.98153219       1.07654360       9.37333698      -0.72765838      -1.06900974      -0.96616925 
O       7.07010618       0.81813071       1.29675862      -0.91976128       4.79229702      -1.84344694 
O       9.57258538       1.00079060       8.69322017      -2.43774724      -3.07430618       1.27790823 
O       6.01943827       9.06201557       1.09747391       1.25614253      -3.14098929       0.91431338 
O       9.12350198       8.79410168       6.06201373       1.24192104       1.63421324       0.74795176 
O       0.81790349       6.48884692       8.91052109       0.02084442      -1.02026055       1.19576612 
O       8.66525354       5.94691630       9.60053924       2.11229282      -0.95439321      -1.02827170 
O       9.28377321       6.01582262       1.61031582       0.00905856      -1.44551418      -1.02391199 
O       8.98006271       6.23786734       6.74869378       2.13898425       2.22451602       0.31616551 
O       6.70837327       9.89020744       5.90492318       3.49917067      -3.30388165       2.12253396 
O       6.30476624       6.04347086       9.00337366      -0.15420860       3.31677223      -2.80400402 
O       3.86255781       5.40944071       6.78254325       0.10387710       0.55238109      -0.53980197 
O       6.49351537       6.39211464       0.87033968      -0.72940298      -0.13806379       2.31550645 
O       9.11015705       5.64502294       4.21661481      -5.60016946       2.88600170      -0.72146333 
O       9.57320948      10.29306801       2.18047117      -1.79285293      -1.30601726      -2.92098010 
O       8.29207009       8.03430914       3.23113803       1.38576683       0.88008877       0.61961693 
O       9.11446997       8.51359286       0.62753933       0.01424112       1.83809337       1.27143429 
O       6.81823875       4.02007150       4.11433010      -1.13960084       1.16813325      -0.25373473 
O       6.31502228       6.62908657       3.58490533      -1.63663155      -0.81565548       0.93025567 
O       5.87988479       9.24478431       3.60018116       0.01263843       0.23046170      -1.11577005 
O       9.01210645       1.27165314       6.23642301       1.70250855      -0.89409000       1.62045630 
O       1.48481509       6.64555744       6.59340552      -0.81228389       0.44012993      -1.23355125 
O       9.54958852       3.39224205       3.71793355      -0.54689076      -1.95335772       1.40494532 
O       4.11738769       9.07309320       8.61064227      -0.59810641       1.54151720       0.51208726 
O       4.08786349       1.40870709       9.24840017      -0.75586645      -0.50661024      -0.63314786 
O       3.62006590       3.98845500       8.87417951      -0.40919114      -0.01315395      -0.70870667 
O       6.40297960       6.68449034       6.44258244       2.01038566      -0.60065717      -3.26351117 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.021636338416104794 0.005165545453950991 0.006848719640236059 0.005165545453950991 -0.048345047983114356 -0.0048900942494641605 0.006848719640236059 -0.0048900942494641605 -0.03887442655286061" pbc="T T T" energy=-923.97399587 free_energy=-923.97411374 config_type=crystal 
Hf      10.23137343      10.45348409       0.33601494       3.53335342       1.24527701      -5.52334907 
Hf       5.12883666       2.56805444       2.59236418       1.84696839       0.78501659      -1.91014677 
Hf      10.03969377       2.56282103       7.52844944       2.94115153      -2.42839192       1.23284761 
Hf       0.08694408      10.39007734       5.16427971       1.21423739      -1.10072568       2.88395858 
Hf       7.95192780       5.09414351       7.86956331      -2.41356398      -1.81092273      -4.33964227 
Hf       7.58401376       7.73367749       5.24199868       2.98076940       1.32653205      -1.65956507 
Hf       7.70732957       2.81627199       0.07381172       0.71290809      -4.19099637       1.17184284 
Hf       7.36775570       9.80281771       2.45312447      -0.35791790       2.65261120       1.47944391 
Hf       2.64416674       2.20938865       5.01690400      -1.01079646       2.08445276       0.66760792 
Hf       5.12167820       2.63110419       7.70094895       0.95878654       1.05495041       1.32148129 
Hf       5.19036242       0.14498544       5.09041053       2.80935720      -0.40792831       1.64496977 
Hf       2.49217230       2.93126581      10.19918086      -1.67770127      -1.02300452      -0.16970923 
Hf       2.74602349      10.44685407       2.37521722      -2.19008619       1.52650220      -6.59015281 
Hf       9.89058872       1.56519687       2.81380898       0.77711696      -0.93529935      -3.55878834 
Hf       2.70783065       0.18208174       8.19982017      -0.47771644      -1.73190640      -2.91150423 
Hf       8.10630404      10.36591716       7.51322771      -0.51785919       0.01391618       3.00583070 
Hf       2.09063067       5.13017099       7.84401353       0.27568637       2.01690285      -3.16131178 
Hf       5.09662651       5.07472892       5.11438765      -1.43810915       1.92026489       1.17604958 
Hf       0.01173397       4.88413784       5.14946418      -0.76853699       1.38988977      -2.31610697 
Hf       2.55031894       8.12874713       5.21530013       0.24064970      -1.70404274      -1.66973821 
Hf       4.85248376       5.29286703      10.14902066       0.76870463       0.23493661       2.05825409 
Hf       4.56802605       7.71488260       2.44145079       0.45997693       0.92737992      -1.03279378 
Hf       5.13700458       7.39938120       7.77674800      -2.46671812       2.44795056       0.00686411 
Hf       7.82213059       7.46248684      10.03468663      -1.43699427       0.66164516       1.47695019 
Hf       7.68749057       5.36678896       2.66924114      -2.44636325       4.45027078      -2.48686945 
Hf       2.28021259       5.13102483       2.41004518       1.38904091       0.96767887      -0.00434513 
Hf      10.34399864       7.89195616       2.20522625       0.40039116      -0.82155129       0.46804742 
Hf      10.38222476       5.15895775      10.38817113       0.41396525      -0.65887577       4.16295829 
Hf       7.71230645       2.70177124       5.07985767      -2.07915755      -1.62274626      -1.21222490 
Hf      10.35044519       7.75541077       7.43148606       4.88581424       0.78815636      -2.58759515 
Hf       5.51936302      10.16806129      10.16523353      -1.89316418      -0.07512386       0.90561350 
Hf       2.22862197       7.68800237      10.05434927      -2.77415828       4.16130768       3.89218332 
O       1.28690323       9.20269721       1.03826912      -2.56442458       0.28745181       1.11079619 
O       0.86650193       5.82712718       3.66349738      -1.34414935       2.92946946      -0.51713319 
O       3.87426875       0.62019122       6.49409708      -0.29627634      -0.80848202      -0.80439956 
O       1.18535283       0.76818977       3.82583537       1.42093902       5.05651688      -3.14429880 
O       1.32451027       4.01654983       1.06880248       0.62004185      -0.26972665       0.33764531 
O       1.57659090       1.55163226       8.99519527      -0.76341230       0.37806686       0.04388535 
O       4.37917719       4.35108088       3.40397267      -0.84040473      -2.29616510      -1.22033361 
O       4.09056837       3.85083190       0.78544802       0.28586856      -2.67009550       1.25569421 
O       4.08424459       1.27810932       3.80768666      -2.69932260       1.04411563      -0.31491295 
O       2.01718924       3.90324788       3.82791814      -0.50012006      -5.07221663       3.40472986 
O       1.32309954       1.20485136       1.21170955       2.24119910      -0.44990235       1.39892171 
O       3.74411549       6.28634866       1.15487986      -1.22236468       0.05196130       1.13037091 
O       4.57359198       0.67419200       1.36978643      -1.73115854       1.44287165       0.95127411 
O       8.35635558       0.37601854       4.17128664       3.24503745       1.01713609      -1.10441215 
O       1.46193012       9.18242564       6.32009870      -2.52647228       2.26147415       1.00937903 
O       6.51107441       1.66629607       3.57851487      -1.01515377      -0.57770078       3.86212225 
O       6.50642156       8.85838497       8.76278241       1.17542474      -1.15522120       1.48428092 
O       1.42393017       1.21470152       6.15207108      -1.59466900       0.07940888       1.61611828 
O       3.48603731       6.72460697       9.07545919       3.45935891      -1.03423315      -1.94328056 
O       1.26442863       9.04988650       8.57899866       0.80922036      -1.25091953       3.15788313 
O       9.77417978       1.93105221       0.76208568      -3.23772359       1.92890227      -0.01299660 
O       4.23963322       8.01038247       6.27358848      -0.15560336       4.29411761      -0.98278708 
O       8.98325501       8.11993292       8.55697987      -3.06303379       2.30628248       0.97248741 
O       1.12043089       6.59555611       1.12664352       1.02510484       0.17928575      -0.45725667 
O       0.88091263       9.13134922       3.73726211      -1.80683108      -4.35677572      -0.74718514 
O       3.48577995       6.57086802       4.71534598       0.99727250      -2.51106100      -5.14625590 
O       3.40381683       8.77436075       0.98403976       2.10499109      -0.06079743       0.60405822 
O       3.34863222       9.25365598       3.62046550       2.66105777      -3.35400174       3.50161921 
O       0.96065409       4.01458784       9.15677508       1.20390394      -2.88410741      -0.87361494 
O       7.58743924       3.68524970       1.81739712       0.44686708      -0.21704974      -3.56142844 
O       6.44806349       1.61791481       6.82911543       2.35705554      -0.45899084      -2.78566561 
O       6.31961977       3.49627796       9.30151164      -1.44889867       2.29802470       0.18507899 
O       4.05651293       3.09172145       6.13794622      -0.88820807       0.77915012      -2.15111123 
O       1.16216214       3.64391889       6.65377874      -1.10839795       1.66157342      -1.23444202 
O       8.97456272       3.48709021       8.86532270      -1.06976014       0.37822709       0.31003295 
O       8.82943588       3.91740645       6.16154948       2.04012602      -1.57891658       1.95793830 
O       6.33605882       4.22524377       6.77007141      -0.06953845      -0.86308429      -0.60656534 
O       6.77638462       0.82230735       9.39759334       2.52237369       1.70469260      -1.34521387 
O       7.12901539       1.48534856       1.44018314      -0.86145650      -2.67482833      -1.12549006 
O       9.44200938       0.73165164       8.69630676       1.59362186       0.71555142       1.30873170 
O       6.18857133       8.77613854       1.27086127       0.42432179      -0.31896733      -2.24077007 
O       9.38231604       9.12739980       6.12906680      -2.74394088      -2.81203791       1.39392085 
O       0.69763524       6.28739350       9.10714446       2.83258929       4.16333243      -2.89138367 
O       8.84827326       5.85220797       9.37623172      -1.13041869       0.52095933       1.40054945 
O       9.23442026       6.07208409       1.40564771      -1.09934268      -0.02954222       0.57404588 
O       9.07208479       6.22021557       6.49604453       1.52222418       1.97934114       1.23968880 
O       6.75067922       9.82984866       6.36944014      -2.99838314      -3.71883721      -4.70781321 
O       6.63975718       6.48921366       8.55969930       0.59512985      -3.12300294       2.10432572 
O       3.77206129       5.58187743       6.67948991       1.66348573      -0.85773508       1.80132749 
O       6.19390794       6.23744660       0.80035984       2.41644365      -0.19342541      -1.27255286 
O       8.67919243       5.68238560       4.17875657       2.80165416       0.14823765       3.45437247 
O       9.10411303      10.27005085       1.81981304       2.01080967       0.21468595       1.98443699 
O       8.45985960       7.87506486       3.39106471      -0.64709584       2.51983652      -1.21016670 
O       9.47634992       8.44874167       0.46376067      -1.83262621      -0.58849396      -0.60112602 
O       6.76117964       4.11905569       3.86767348      -1.42434939      -2.19272446       4.39754574 
O       5.77209925       6.51487448       3.32458801       2.55280564      -0.67822042       1.88710484 
O       5.90530164       9.37184712       3.64189201      -1.26823689      -1.42879090       2.86804257 
O       9.12246855       1.26822598       6.25834038       0.01680307       1.27288218       0.12635864 
O       1.46316220       6.64629321       6.51666744      -1.75398495      -1.20275159      -0.46188857 
O       9.62544785       3.21612469       3.60590963      -0.81974721       1.51867176       3.13403514 
O       4.18798357       9.42220974       8.91265285      -2.23309938      -1.42372150      -0.74241905 
O       4.08726963       1.44539656       8.98203109      -0.03818592       1.29856484       1.67208678 
O       3.48877181       4.34284074       8.91121134       0.98796894      -3.54268579       0.72279995 
O       6.48964026       6.57815877       6.19589118      -1.94997839       0.11419289      -0.53087394 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.047614802987143934 0.00038043476735770377 -0.013483101637829118 0.00038043476735770377 -0.049221502308916976 0.016874384227689262 -0.013483101637829118 0.016874384227689262 -0.03883840784602716" pbc="T T T" energy=-922.98514404 free_energy=-922.98816607 config_type=crystal 
Hf      10.11326948       0.00239760      10.30471271       0.09532205       0.79466574      -1.88818435 
Hf       5.31430306       2.03866536       3.02536197      -0.57323543       2.19064221      -0.04651478 
Hf      10.11921135       2.87047194       7.77129176       2.37002866      -2.94132582       3.92207472 
Hf       0.40658937      10.15958943       5.29850234      -3.34685226       3.46651940       0.05127767 
Hf       7.73310447       5.08941634       6.85849406      -1.62708746      -0.00608131       3.80054626 
Hf       7.86829648       7.75509741       4.69574488       0.23473567      -1.21096586      -0.07466728 
Hf       7.49674073       2.85199753      10.10736497       0.71792262       3.72176834      -0.08947308 
Hf       7.56649397      10.11686577       2.25145158       3.53084498       2.98685602      -0.31852510 
Hf       2.23629485       2.75390569       5.30472199       0.97506097      -4.83648710       2.03990168 
Hf       4.88789542       2.69509454       7.53649114       1.76398564      -1.20955687      -2.75970547 
Hf       4.71006861      10.15938638       5.08992395      -1.58236684       2.43544975       7.84415067 
Hf       2.39571936       2.64880505       0.41498504      -0.16220789      -1.25574262      -5.47123486 
Hf       2.54636251      10.37695210       2.45700063      -0.43151527       4.31332174      -1.11053916 
Hf      10.31105345       2.37710250       2.24458900      -0.39203833      -3.28348360       3.39928278 
Hf       2.63521751      10.37344079       8.43664138       0.35240117       1.62594555      -5.98257278 
Hf       7.71054217      10.37221206       7.87557394      -3.18736519      -1.10703056      -2.39286836 
Hf       2.09809401       4.99702711       8.34255140       4.14336144       0.47278605       2.83093275 
Hf       5.06103777       5.07208421       4.75528542       0.25598703       1.44539066      -0.14823449 
Hf       0.10043711       5.40058673       4.91610560       1.12894565      -1.74669459       1.88337552 
Hf       2.37701322       7.95269131       5.03602030       4.01974156      -1.15753293       1.24979989 
Hf       5.06822574       5.25496860       0.20455539      -1.71781328      -1.01130147      -3.35252546 
Hf       4.95473969       7.93898038       2.42216043      -3.32401891      -3.50389189       0.81900624 
Hf       4.87113673       7.51509206       7.83639330       0.34033344       1.68363661      -2.35990001 
Hf       7.59805563       7.60275925       0.00936024      -3.23577673       5.49574525      -9.76830052 
Hf       7.80401193       5.18410814       2.42470131      -1.93626368      -2.36030869       4.57005478 
Hf       2.51677749       5.26193857       2.26787786      -1.10420920      -1.93761951       5.86831731 
Hf       0.02178278       7.86111321       2.24477373      -1.16141636       0.18190056       2.65023362 
Hf      10.00452168       4.86311282       0.38940586       4.34205450       2.28483480      -7.24125714 
Hf       8.46503388       2.14365443       4.84301907      -5.45805687       3.11535043       2.74473928 
Hf      10.29043880       7.53473502       7.58738440      -1.15841007       1.44609810       1.53893805 
Hf       5.42229289       0.19758595      10.45724941      -3.09890712       1.21444918      -3.77462436 
Hf       2.06107726       7.57886795      10.13847952       2.92411067      -2.74156367       0.50765584 
O       1.44182570       8.77110921       1.30483235       2.21193533       1.78733327       0.90424644 
O       0.67358098       6.26094678       1.27444688       0.31689237       1.33242760      -0.57564508 
O       3.10474517       0.81861341       6.63423919       2.31007911       0.51318701       3.58122228 
O       1.24423588       1.51142886       3.34086745       0.94320915       0.38280060       0.38177668 
O       2.98415612       4.56537612       0.49298335       2.48099006      -1.12239356      -2.34940799 
O       0.99117970       0.73926894       8.70900184      -3.60929697       0.18946182       1.83522862 
O       4.19901945       4.20206773       2.88514388       0.46940169       0.01558353       0.91172217 
O       6.47415164       4.27005323       1.23318807      -0.30856339      -0.72650671      -2.14453053 
O       3.38571198       1.31213054       4.48225732       3.66936796      -0.94968930      -3.84733303 
O       1.71289473       4.32507813       4.43641966      -0.67568593       1.53959452      -2.00758136 
O       1.17018165       1.01859581       0.95895595      -0.92391197       0.00392069      -0.49662134 
O       3.95207898       6.65956823       4.17835394      -1.33701171       1.25991721      -2.81760004 
O       3.47586218       2.08910616       1.84022726       2.71295093      -1.91195817       1.79405754 
O       9.35842966       0.88685859       3.93681215       1.07479360      -2.38071421      -3.26026426 
O       1.65633026       9.36658471       6.49155055       0.51770497      -1.31907390       0.08111387 
O       6.12317757       0.43104364       4.04643199       3.07491587       1.86308357      -5.29577014 
O       6.03810432       9.20423835       8.36355727       0.31644157       2.13351204       0.91039089 
O       0.82746635       1.44834981       6.10586386      -1.82164746       2.57203257       0.05931274 
O       3.19259981       3.27074276       8.43108645       0.57112185       0.53463626       1.38238745 
O       0.67031364       8.59206812       9.54383881      -1.72315410       2.41955369      -2.54483597 
O       0.99970777       4.03565055       1.54018883      -1.02902855      -3.67661124       1.41911974 
O       3.95022657       8.59641934       6.19280020       0.78138441       0.39669738      -0.80281229 
O       8.77298884       9.18920031       9.02921188       0.23800448       1.98838535       0.73943379 
O       0.63981241       6.05824872       9.19289812       1.52325030       0.96087240       0.42761654 
O       1.60006962       9.42547572       3.83436584      -3.06013938      -1.55648859       0.47313597 
O       4.97548160       6.27046034       6.28186588       0.09369913      -0.90973176       1.71746698 
O       4.56375501       9.96171451       1.67438937      -1.56103266      -0.15760896      -1.53377212 
O       3.79781683       9.21271713       3.56089293       0.23145861      -1.90526621       1.33155094 
O       0.98814084       3.52795664       9.48512364      -2.35126800       0.88766720       1.21005012 
O       8.91405364       3.59899346       1.24227703      -1.94663890      -0.25298669       0.16293078 
O       5.79944618       1.12754319       6.26390630      -1.65691427      -0.55216366       1.54902158 
O       5.68206010       3.78071725       9.12828608       0.56578922       0.41115969       3.48606626 
O       4.02140123       3.75495889       5.86883813      -0.50623025      -1.63467992       0.52098945 
O       1.24997094       3.93630789       7.16481116      -2.96560186      -1.59819949      -6.53379130 
O       8.63890635       4.35029026       8.71457949       0.62078999      -2.88482346       2.65779600 
O       9.12751399       3.56987576       6.35558551      -0.42996362       2.54704747      -2.90963136 
O       6.69291971       3.37890696       6.88381807      -0.41823908       1.83679931      -0.43575288 
O       6.86479324       1.46658779       9.06806064      -2.28742158      -4.07391643      -1.08479507 
O       6.46922583       1.19749226       1.29884998      -0.70616568       3.09240432       1.81584381 
O       9.30175267       1.92554269       9.46197366      -0.39472148      -1.66180453       0.05478385 
O       6.60110738       9.34664294       0.44791191       3.39295079      -2.04168841       1.46806909 
O       9.74641473       9.04686899       6.44580970      -1.80927051      -0.24537530      -0.02807755 
O       1.73279810       6.85183002       6.53453262      -2.76902311      -2.94389774       1.23737328 
O       8.79033814       6.71200410       8.47134458      -0.26428418       0.84623723       0.56502174 
O       8.51919867       6.35712477       0.81900359       4.09794580      -6.84190113       4.83153970 
O       9.03188296       6.72936072       6.04271667       2.03324141      -2.11379510      -0.19948401 
O       6.81548865       8.63162585       5.93859703      -0.22685596       0.75433566      -0.70576706 
O       6.28961705       6.53460609       8.63566968       1.95064966      -1.70703701       2.86388773 
O       3.63594543       6.45455494       9.02636874      -1.81897518      -3.44628611       1.09558887 
O       5.85186583       6.90949166       0.88186579       0.51374397       0.82984950      -1.73278244 
O       9.35094151       6.06027602       3.72227148      -3.80036623       1.27615757      -4.94741194 
O       8.92336678       1.02248651       1.42545510       1.49459733      -0.95140165      -1.36703175 
O       9.30319491       8.93396130       3.57780118      -1.26390832      -1.31907220       0.66079965 
O       9.08091376       8.78710125       1.02964340      -0.00830414       0.74968637       0.50555259 
O       7.02659180       3.33424235       3.58379423      -2.27185563      -2.19696620      -0.48780743 
O       6.38226594       6.28370752       3.10961896      -0.19274321       0.75808239      -0.17512305 
O       6.64670223       8.59641609       2.78585314       2.12124811      -1.19948912       3.13982631 
O       8.41789077       0.81780354       6.25615315       1.08126741      -0.22821296       2.90057658 
O       1.17848470       6.61635580       3.74070863       1.04935525       2.10439424      -0.26487102 
O       9.54153530       3.42730612       3.85208805       2.75661059       2.59421412      -1.41768602 
O       3.39069965       6.58878584       1.36118080       2.54456489       5.67770716      -1.47540018 
O       3.46855352       8.67879482       8.94702123      -1.18808578       0.34962417       2.46958556 
O       3.53069502       0.94739048       9.86794583       1.29094158       0.55908964       0.64989530 
O       6.99503003       5.40240230       5.07948622       2.36974889       0.72573260       0.62226383 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.042882295477320205 -0.01696805551714115 0.00967065050684829 -0.01696805551714115 -0.024718786247314592 -0.007777742015594889 0.00967065050684829 -0.007777742015594889 -0.016683244545569145" pbc="T T T" energy=-928.03124671 free_energy=-928.03135717 config_type=crystal 
Hf      10.13081899       0.05933760      10.27490476       0.11814544      -2.09166153      -5.81208265 
Hf       5.31591621       2.01939531       2.99338333      -2.69436090      -0.94187086       0.10243389 
Hf      10.12429489       2.86341804       7.93190711       1.56102525      -2.97264920      -0.09153562 
Hf       0.24533809      10.16545322       5.29005790      -2.85869859       0.58780307       1.03612668 
Hf       7.61004749       5.18412624       6.91315734       2.05203783       4.12172600       2.66901069 
Hf       7.93427907       7.73041863       4.71324018      -3.26298096       0.63354114       1.17165731 
Hf       7.65302862       2.78442492      10.09078358      -1.83217548      -1.16954102       3.64730347 
Hf       7.70281487      10.10413280       2.15214995       1.73580031       1.83158099       3.34101520 
Hf       2.20045732       2.61113845       5.35843850       1.08377359       0.07644408      -3.40361091 
Hf       4.96847846       2.64296292       7.63437366      -1.18851541      -1.31587465      -0.59887160 
Hf       4.79506943      10.03131055       5.10585613       1.81062955       0.95037280       2.06602326 
Hf       2.41244162       2.68662351       0.52050590       2.80043053      -2.00699868      -2.18355874 
Hf       2.48901883       0.04317580       2.36215331       1.66347680      -0.72907042       2.07510848 
Hf      10.36818446       2.35344418       2.14832895      -2.36624422      -3.26121666       2.88434377 
Hf       2.59094381       0.01530807       8.47058170      -2.37602915      -0.92757439      -0.38471592 
Hf       7.62818803       0.07202117       7.85289253       0.67779920      -3.03251347      -0.02990344 
Hf       1.96736061       4.94925456       8.23571023       3.29539166      -1.34999954      -1.79707937 
Hf       5.03984947       5.03597561       4.75932276      -0.51759073       0.59335056      -0.10870258 
Hf       0.00151080       5.35176305       4.92203595       3.24407860       2.88723549      -3.78997429 
Hf       2.25561692       7.97407512       5.08665034       2.07173487      -0.41412824      -0.60095523 
Hf       5.08591571       5.05602121       0.20212723       4.98674413       2.65984875      -3.57455335 
Hf       4.87658952       7.98967551       2.48727652       0.06189590      -1.46471106      -0.62960658 
Hf       4.94725730       7.45958132       7.76983413       0.08926405       2.76112325       1.38113502 
Hf       7.50277815       7.55704791      10.38450451       0.67822414      -1.00431913      -3.26531930 
Hf       7.79864852       5.13293271       2.54694851      -2.41206552      -1.37235882       1.72428987 
Hf       2.60891449       5.39412029       2.46245593      -0.11349725      -0.29063407       2.60113247 
Hf       0.07771583       7.78880611       2.18504427       0.61539176       2.77204070       5.35320648 
Hf      10.09414386       4.97213713       0.24160951       0.43324999      -1.41121596      -2.38748773 
Hf       8.50785069       2.22446982       4.85775622       0.05161092       0.17216066      -2.41005000 
Hf      10.18941988       7.57784258       7.60753278      -1.43568655       2.19764622       0.42774628 
Hf       5.38011442       0.22055664      10.45647962       2.44352677      -3.30565488       2.09038013 
Hf       2.11756470       7.55444225      10.06678605       4.54000604       4.94981329       5.43491223 
O       1.80981960       8.83121964       1.61695683      -2.13389879      -1.25771533      -3.00624031 
O       0.80020578       6.32477155       1.14190701       1.38379087      -1.10360713       0.68417994 
O       3.48460857       0.87321600       7.06830201      -0.49030461       1.98022037      -0.56036992 
O       1.38762345       1.48767122       3.21634500      -0.60066346       0.51397314       2.39423440 
O       3.28388151       4.45139417       0.41115200      -2.02506787      -0.09043676       2.28310504 
O       0.84732199       1.15083394       8.75816901       1.58424233      -1.06138891      -0.76541338 
O       4.00978061       4.04098820       3.23149169       0.22233630       1.37108367      -1.09174775 
O       6.75361289       4.23630278       0.88761854      -0.76497094       1.09295381       3.14500248 
O       3.69404874       1.16255179       4.25940063       0.51760666      -0.48231568       0.13955140 
O       1.64011979       4.39011102       4.17230740       1.98716333      -0.66064387       1.53095934 
O       1.13828141       1.02076440       0.80811163       1.62740981       0.88625200       1.08442918 
O       3.95479182       6.72157847       4.22089894       0.32888711      -2.17137699      -1.65706925 
O       3.75164341       1.75944086       1.79554862      -2.79531682       1.32018173      -2.47158417 
O       9.15186151       0.92723802       3.40486220      -0.37958792       2.21185411       2.40358397 
O       1.62706938       9.31589198       6.58623198      -1.74183382       0.17840473      -0.79021821 
O       6.38475261       0.43956125       3.48593212      -0.68370995      -0.45822458       2.91334379 
O       6.27569334       9.23896678       8.57158514      -2.07953381      -2.43525409      -0.36407332 
O       0.55833796       1.63401276       6.05640604      -0.70456756      -1.51125403      -1.26455976 
O       3.49389659       3.65445176       8.54108506      -0.81755254      -0.26342091      -0.18682333 
O       0.80249672       9.05145381       9.52937368       2.18361086      -2.35645708      -1.01453878 
O       1.30157831       3.67469538       1.83208727       0.59353474       2.16784036      -2.15527741 
O       3.82743146       8.66751801       6.14548586       0.39108800      -1.11036752       2.07439929 
O       8.85970487       9.22934216       8.86186258      -0.34315793       0.75185354       0.91414544 
O       1.02171986       6.29924805       9.33923496      -5.43616340      -3.86993181      -3.45534901 
O       1.10397038       9.24810387       3.77506467       1.01135844       0.73485868       1.51436966 
O       4.84582632       6.13469123       6.47787939       0.23068540      -1.94310771       0.14007107 
O       4.37816709       9.85694167       1.52437817       0.65203023      -1.57608126       0.57281277 
O       3.46372871       8.94927858       3.63475500       1.15717957       1.76500691       0.71717496 
O       0.91148189       3.41134998       9.48039134      -0.47969361       3.16958492       0.11094934 
O       9.00142559       3.68806909       1.37340365       1.39801260      -1.26360945      -0.68824182 
O       5.69150344       0.93792286       6.28748016       2.07705126       0.68052250       1.08005038 
O       5.97865107       3.53847433       9.45556635      -2.91961652      -1.81852526      -2.52517104 
O       3.92363698       3.48294654       5.94015963       1.46766686       0.57017142       0.11398266 
O       1.16836577       3.67173826       6.70545048       1.23635037       2.59092592       2.95540077 
O       8.72099726       4.17426867       9.25855301       2.40100590      -0.72480422      -2.57974190 
O       9.43878087       4.40533808       6.08274978      -5.68034267      -5.76839113       5.28825516 
O       6.53625075       3.67601475       6.92401843      -0.04277982      -1.92477596      -1.13293679 
O       6.66692157       1.03391079       9.24210580       0.77624410       3.53028408      -1.26382809 
O       6.36959022       1.52768904       1.36405849       0.90398395      -0.96023634      -2.57171433 
O       9.07223623       1.56900730       9.05050055      -1.53357114      -0.17497432      -1.53523080 
O       7.13321129       9.39273974       0.52844053      -3.30115706       0.81114148      -2.09660189 
O       9.54299481       9.13037011       6.49845887      -0.63140090       0.05379514      -0.17657458 
O       1.10103786       6.38725696       6.49221160       1.71149037       0.20254178       0.77021210 
O       8.85986018       6.45980855       8.49407099       0.22174080       0.82619056       0.27010006 
O       8.60442661       5.88930143       0.90719347      -1.25891293       5.12515667      -1.07631748 
O       9.18952392       6.74863758       6.02003840      -1.01497408      -0.10395915      -0.17165343 
O       6.17443526       8.45573111       5.78564461       2.17475724       0.42583204      -0.39420198 
O       6.50123095       5.87365227       9.01200001      -1.23277265       2.47385688      -1.86595619 
O       3.36012610       6.32254340       8.98501458       1.56039336      -0.45316914      -1.88573983 
O       5.70330419       7.08877411       0.49477725       0.90871085       0.47091249      -0.09513279 
O       9.03414910       6.62275494       3.41763263       1.62769969      -4.54805010      -1.55740886 
O       9.11912575       1.12100538       0.94194921      -2.86203654       1.74784662       3.01265335 
O       9.33146464       8.71327708       3.97151147       1.04825027       3.90027710      -0.85893269 
O       9.18016620       8.79527421       1.23356632       1.28612880       0.10265330      -0.86700171 
O       6.48430019       3.38039212       3.56184452       3.86427970       2.63022869       2.43250834 
O       6.37456470       6.44275639       2.77475028      -1.33871421      -3.86056295       0.11574033 
O       6.81036210       8.49108467       2.94887111       0.64646279       2.41513153       0.58931366 
O       8.66287018       1.02953466       6.33793060      -0.50084121       1.65184524      -0.68185179 
O       1.43564687       6.76417371       3.67737933      -1.42985899      -0.85581558      -1.08788964 
O       9.95882029       3.72800612       3.72744084      -3.74790544      -1.89828442       0.31098597 
O       3.55500214       7.02187918       1.30369541      -2.07038121      -2.68588265       0.79368793 
O       3.47725564       8.74803648       9.24278087       0.91569810       1.27161075      -1.64443793 
O       3.84765090       0.97274653       9.81179959      -4.24801061       2.58678167      -2.35825959 
O       7.02482249       5.67405032       5.04222697       0.31551987      -0.72752159       0.66438432 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03434161420513471 -0.007483569217239698 0.010612796791098951 -0.007483569217239698 -0.006578171303446847 0.0047309912350457384 0.010612796791098951 0.0047309912350457384 -0.006598323064233295" pbc="T T T" energy=-929.12119639 free_energy=-929.12123548 config_type=crystal 
Hf      10.13869701       0.07113771      10.21797774      -1.46731860      -1.31877551      -3.27275637 
Hf       5.30063389       2.00971679       2.98045088      -0.13571372       2.13061193      -1.14000067 
Hf      10.13748042       2.83602433       8.00247348       0.13458453      -1.89456286      -1.81406800 
Hf       0.14949732      10.18428934       5.30225039      -2.87546299      -0.93832034      -0.78029772 
Hf       7.57122898       5.25562902       6.96021076      -0.96502877       0.49219600       3.11677759 
Hf       7.93835282       7.72582355       4.73131207      -1.29852571       1.19538953      -0.52689680 
Hf       7.70811955       2.75435354      10.10334072      -4.42735371      -2.00762549       4.86491728 
Hf       7.78386763      10.12350197       2.13020986       0.64416065      -0.24823849       1.11322666 
Hf       2.18873099       2.54253314       5.36240948       2.16824397       2.63617336      -2.97820912 
Hf       4.99707494       2.61050556       7.66781328      -1.48388891       0.04040742       0.86833314 
Hf       4.84149980       9.98658356       5.14027548       2.02536625       1.01562183       2.42084057 
Hf       2.43533392       2.68814477       0.54163757       4.82398060      -1.04114169      -5.36561140 
Hf       2.47006977       0.10028210       2.33687262       2.41437921      -2.80110618       1.32131837 
Hf      10.37459343       2.31017303       2.13226166      -1.15960399       0.47147597       2.60063350 
Hf       2.55071342       0.07038425       8.46296597       0.55604241      -0.55325571       0.81292215 
Hf       7.59785897       0.11691499       7.83572179      -1.37350682      -1.96019506      -0.17576731 
Hf       1.93935379       4.91828225       8.17987609       3.98342552      -1.51556090      -1.97175248 
Hf       5.02344883       5.02727579       4.76126905       1.39776031      -1.38979134       0.01135041 
Hf      10.43986767       5.34279614       4.90647941       1.65611541      -0.74299499      -1.67538317 
Hf       2.22112577       7.98203330       5.10947377       2.17861785      -1.10312151      -2.27883523 
Hf       5.11931932       4.98662769       0.16947101       4.74295043       1.43296003      -3.35610527 
Hf       4.84121522       7.99496073       2.51207336       0.60097493      -2.24820338      -1.31202528 
Hf       4.98332780       7.46015382       7.75395000      -1.20890113       0.49720514       1.02006743 
Hf       7.46565255       7.53538330      10.31228417       2.93214523      -1.00044960      -3.30213999 
Hf       7.77699437       5.09785534       2.61764780      -2.26035512      -3.31774920      -0.94542008 
Hf       2.64687843       5.44611020       2.56855358       0.24685620      -1.00471286       0.22148036 
Hf       0.10148614       7.77804361       2.20089858       2.58639373      -0.39635243       4.42597398 
Hf      10.14804489       5.00634465       0.14752705      -1.95847696       1.95357369       1.04456111 
Hf       8.51874747       2.26930985       4.85636861      -0.69765501       2.77043899      -3.33823466 
Hf      10.14724235       7.62509077       7.61479214      -2.41268394      -1.37063920       0.81765717 
Hf       5.37908099       0.20668128      10.46259963      -1.70659855      -1.27531982       1.31611661 
Hf       2.17149306       7.57383318      10.06861847       2.05853808      -1.29620606       3.35003996 
O       1.87200253       8.80519909       1.55730368      -2.30009674       0.44495146      -2.45764287 
O       0.99668534       6.29267852       1.14970317      -0.61153709      -0.54953629      -0.46745924 
O       3.66431333       1.06419756       7.27316720      -3.31307081      -0.80374113      -2.22396035 
O       1.47004844       1.49179354       3.35249844      -1.33699969       0.56522699       2.02845617 
O       3.31042525       4.38880536       0.53123375       1.03109966       2.21716957       1.36633268 
O       0.78671715       1.28095309       8.78227655       1.46846285      -1.75684522      -0.37256124 
O       3.95994119       4.08299105       3.31383954       1.23940525      -0.78546698      -1.40880249 
O       6.85815254       4.26308097       0.95337317      -2.36828886      -0.07454804       0.17202654 
O       3.93347437       1.04139245       4.07868327      -1.02508835      -0.47427181       1.20250387 
O       1.74728709       4.35898433       4.15725418      -0.50564729      -0.24392741       2.47041769 
O       1.27690466       1.09621063       0.82469030      -2.68114075      -1.71172976       0.90494380 
O       3.97514471       6.59035326       4.04155484      -0.78094452       0.16638584      -0.40547710 
O       3.74498879       1.65605312       1.65030414      -0.76026429       0.96185797      -0.05803111 
O       9.05670062       1.02192584       3.23711287       0.88374269       1.86714674       3.44785335 
O       1.47607372       9.27444981       6.55515742      -0.83892247       0.15284964      -0.50853594 
O       6.47627147       0.46267334       3.33923923      -1.33409078      -0.09162301       3.50457819 
O       6.18775758       9.08308832       8.67149328      -0.30838512      -1.01257310      -2.27114824 
O       0.38330207       1.71285643       5.94661382       1.38336819      -1.57136765      -1.13614291 
O       3.60375799       3.80088625       8.60275767      -1.52695939      -0.78139659      -0.42829047 
O       1.03914870       9.07325606       9.43558742      -1.20302895       0.58908444      -0.95345349 
O       1.51730155       3.70500277       1.78260350      -4.51102102       0.55952259       1.44737637 
O       3.87412285       8.62351894       6.27670605      -1.75297341      -0.63703163       1.54118236 
O       8.85277938       9.34048012       8.86871647       1.26007156      -0.32053912       1.73043497 
O       0.84105923       6.16915747       9.18251900      -1.63125408       2.07364295       0.33844525 
O       1.04356199       9.14063599       3.70141684       1.53874299       2.22842971       3.08898308 
O       4.81374532       5.83584950       6.53110598       0.59425896       2.34680008       1.77227903 
O       4.33447856       9.70803130       1.44454168       0.56336062      -0.55732037       1.48832870 
O       3.38019650       8.93806112       3.75366642       2.21314952       1.56880377       0.34436493 
O       0.78883404       3.62191119       9.50981078       1.96911952       0.41783582      -0.17560538 
O       9.03640813       3.66222877       1.36226761       2.52804161      -0.12462638      -0.27140418 
O       5.76945612       0.92178974       6.42116201       2.24495888      -1.56886761      -0.44694348 
O       5.91941081       3.27786355       9.48344172      -1.46512601       1.54562317      -0.33371098 
O       4.03064791       3.41709362       5.99196816      -1.20894763      -0.50291262      -1.48666709 
O       1.22417490       3.73675042       6.59523040      -0.07677939       0.28656133       2.95340882 
O       8.93331177       3.95943819       9.36789728       1.07873490       0.69374177      -4.30681772 
O       9.22161580       4.45169278       6.24273967      -0.37277668      -5.19509010       1.34015131 
O       6.42373648       3.63584725       6.84683230       3.17506314       0.96085024      -1.02527407 
O       6.54257589       1.10485310       9.29051354       2.27839053       0.70447255      -3.95509879 
O       6.36773687       1.66350264       1.26887478      -0.07925531      -1.63948961      -1.18718256 
O       8.86257407       1.39775086       8.77480944       0.71274672       1.37147128       0.95940850 
O       7.10244705       9.48260976       0.37658968      -0.65993114       1.22511733       2.13618842 
O       9.33354156       9.10556511       6.55412681      -0.33771024       1.04087385      -1.01984626 
O       0.89018590       6.12389199       6.54431203       3.12334143       2.72890862       1.12780595 
O       8.76090697       6.31788688       8.62706489       1.64140987       2.87809882      -1.65300835 
O       8.47615171       6.06373510       0.94213195       1.63996736       1.50598487      -2.94834977 
O       9.21562066       6.67738819       5.98163352      -0.84186363       2.25029774       0.28752760 
O       6.05166705       8.41684174       5.65597771       3.39639084      -0.24286319       0.10221400 
O       6.50357548       5.78576832       9.07780938      -1.45534728       1.48317752      -2.40134005 
O       3.31855634       6.20606464       8.83916244       0.84337223       2.49040913      -0.30935067 
O       5.74664158       7.24990900       0.28574767      -3.43969341      -1.04358033       2.33356766 
O       9.02991092       6.46232693       3.08275997       3.21403600       1.88724750       4.10075248 
O       8.98331739       1.26245230       0.95586036       1.07536741      -1.55593695      -1.82225578 
O       9.39801607       8.91749535       4.04551724      -2.26641257       0.32910903      -0.18332279 
O       9.33923580       8.79010620       1.27661234      -1.90937106       3.55612923      -2.96460528 
O       6.48349660       3.51031879       3.70426888       1.86723277      -0.60474391       1.27366415 
O       6.28720291       6.25112666       2.64422975      -2.77803559      -0.31648979       0.42012843 
O       6.86887674       8.46972787       3.15620580      -0.10301626       1.61055936      -1.49950947 
O       8.74835685       1.26965661       6.35860658      -2.19899072      -1.68313058       1.23634559 
O       1.42055127       6.77977578       3.52942076      -1.00079334      -0.69202238       2.88660433 
O       9.87433398       3.79176014       3.72390735      -2.61237011      -2.49978129       0.61056121 
O       3.48277144       7.08792049       1.34920768       0.13106225      -2.35276368       0.33994751 
O       3.61048325       8.64215925       9.37080761       0.78570414       2.75925435      -2.56777596 
O       3.71256178       1.21445839       9.66235377      -0.84502489      -1.37861847       0.14812342 
O       7.13691675       5.76039009       5.10690955      -1.06804410       0.03901842      -0.90389903 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.030636782688471996 -0.006046409193739747 -0.00449923902671892 -0.006046409193739747 -0.03239899105760313 0.002363989918982096 -0.00449923902671892 0.002363989918982096 -0.016390804627324642" pbc="T T T" energy=-924.15155738 free_energy=-924.17079944 config_type=crystal 
Hf       0.24404112      10.28245162      10.08520185      -1.46083539       1.38690061      -0.13785528 
Hf       5.42554966       1.88316704       2.71011123      -0.20599329       3.64626939      -0.78069603 
Hf      10.03643637       2.53770110       7.49546113       2.24928362      -2.40856061       0.18566394 
Hf       9.98756100       9.94158685       4.84039017      -2.20891782       9.44128633      -1.27216804 
Hf       7.86851271       5.11315881       7.39742308      -1.40586022      -0.86011544       1.66021139 
Hf       7.59573967       7.89118302       5.44823714      -1.37892045      -0.50319353      -1.04866363 
Hf       8.19018969       2.28569196       0.44048667       0.93033778      -1.67485894      -2.20953279 
Hf       7.81807211       9.76936030       2.42703705       2.16830330       3.10032777       2.70992701 
Hf       2.58489184       2.87766212       4.97061807      -2.70272795      -3.17068276       1.80540875 
Hf       5.48734880       2.75671691       7.98011820      -4.01989565      -2.15580441      -3.52680162 
Hf       4.72470287      10.26494617       5.34797419      -0.09228848       1.56683206       0.99301237 
Hf       2.25182480       2.70345588      10.08847380      -0.47011759      -2.42968449       0.59870159 
Hf       2.72122288       0.22807681       2.47508151      -2.75619065      -1.48674636      -0.67762963 
Hf      10.31764977       2.51099136       2.52577937       2.32471172      -3.09764373       1.26122587 
Hf       2.57885881       0.00035135       7.88951816       1.36562548       4.62711209      -2.87127972 
Hf       8.08425605       0.05752485       8.01040528       1.38977942      -1.97477850      -0.49582690 
Hf       2.68488560       5.14473063       7.88437737      -1.98676559      -2.28905101      -3.36992993 
Hf       5.03851681       5.23905129       5.63072099       0.01239404       0.26082903      -1.60756751 
Hf      10.30322431       5.37395872       5.04140652       2.14842088      -4.89681920       0.12770433 
Hf       1.90699690       7.92543094       4.89671843       4.70975111      -0.78135815      -3.01767180 
Hf       4.63484615       5.06999757       0.21221361       3.19775940      -2.67909460      -0.05381777 
Hf       4.76913116       7.80407755       3.00731971       4.42751344       0.94447910      -3.47973551 
Hf       5.01967555       8.18789717       8.06918922      -1.61774806      -1.35304793      -2.36313234 
Hf       7.61335094       7.71409544       0.06146286      -1.37218408      -3.35181714      -1.98038545 
Hf       7.64357303       4.91980875       2.51940587      -3.28689470       3.19976210       0.38599151 
Hf       2.00463252       5.06349345       2.40281575       3.23291032      -1.09286796      -3.35977092 
Hf      10.40073350       7.71089655       1.76047984       1.24559107       1.43959688       2.26473724 
Hf      10.05008482       4.95711049       9.94906694       0.89977790       1.29924012      -0.41714538 
Hf       7.63596494       2.36218555       4.72073524       1.65460710       2.90564699       4.60595044 
Hf       0.15760433       7.80399602       7.41945359      -2.57591954       0.71717560       6.62911845 
Hf       5.43089318       0.25153303      10.17699702      -1.43827011       0.07678583      -0.72822185 
Hf       2.79817583       7.52636091       0.02337092      -0.64344882       5.56836686       2.57455078 
O       1.31253181       9.11270735       0.83195866      -0.01465173      -2.78337000      -0.80926826 
O       0.71162174       5.99981247       0.89599328       1.19751007       2.92043943       1.59174636 
O       2.84136670       0.99505314       5.94837560      -2.21833039      -1.62385229       1.41593949 
O       1.53981508       1.33722283       3.67466492      -1.82709366       1.25479206      -0.93534694 
O       3.67902504       3.59161374       1.36653824       1.77503642       0.10989698      -0.89636724 
O       1.06275009       1.45397152       8.78571794       2.88417780      -2.41562994      -0.90489059 
O       3.28870915       4.26842511       3.87346181       2.96496061       2.11629500       1.04018770 
O       6.71056165       3.41593345       0.76210870      -0.86861440       0.06189878       0.75767113 
O       3.84994771       1.26576266       3.75530647       2.47403453       2.06985565       1.06894666 
O       1.11301778       3.82206356       3.46404542      -3.64107295      -0.79657775       3.57076503 
O       0.90390447       1.34434718       0.75569282       4.24670056       0.77935500       1.11795158 
O       4.04936116       6.92343725       4.44560113      -3.03268358      -1.43865074       2.79906226 
O       4.43353005       0.78543096       1.46871243      -1.57625539      -1.16302902      -3.13840097 
O       9.13918820       1.16726368       4.02999691       0.04776866       0.19160642      -0.58808889 
O       0.16220559       8.42188027       5.52604894       4.97782298      -6.52854883       4.19074733 
O       6.49922835       1.00418814       4.08009443      -0.90805015      -1.17402818      -0.44146950 
O       6.91530407       9.30446415       9.42264304      -1.37260178       1.58948421      -0.48893974 
O      10.06591244       0.55441963       6.80038142       3.06244647      -1.03466254      -0.46877133 
O       3.50373492       3.89562053       9.22799213       3.87070321      -0.00696700      -1.62699504 
O       1.47635935       9.07337904       8.63354242       0.05374114      -0.81682819      -0.40460688 
O       1.34074241       3.72227232       0.94739048      -1.85127381       1.47036441       2.32338212 
O       3.50547587       8.95927862       6.63089722      -0.94819375       0.72292530      -0.92799952 
O       9.56844809       8.95739449       9.06498284      -1.87451489      -0.30378548      -2.68632326 
O       0.43862222       6.67852597       8.96270975       0.06505824      -2.29016915      -0.54652366 
O       0.67119479       9.25239805       3.19141378       1.84741888      -0.32438724       1.33405456 
O       3.94156150       6.52680500       7.10668188       1.58203630      -0.69638625       0.91008696 
O       3.65178110       8.79358004       1.41926089       0.89181919      -1.37764688       0.13936310 
O       3.55766558       9.41986761       3.77087222      -1.44273594      -2.36330257       1.95536166 
O       1.04712803       3.85232898       8.94646286      -1.36067867       2.08862168      -1.02481987 
O       9.35971135       3.87113193       1.30451523      -1.85501390      -0.68334379      -1.26272041 
O       4.90831152       1.27937489       6.61645387       2.43075511      -0.97340079      -0.34787606 
O       5.98722666       4.48783612       8.36747927       1.74570646       3.39610470       1.17364960 
O       3.92238899       3.87398250       6.65781441      -0.91219473       0.40432202      -0.92907393 
O       1.09433896       3.49188101       6.36527899       2.76875820      -0.63440761      -1.54167274 
O       8.98235429       3.68319645       8.79673173      -1.43066846      -0.28391160       0.51922538 
O       9.37706745       3.99539880       6.28026414      -2.76397165       2.48370397       0.36962924 
O       6.45666639       3.49117862       6.06929161       0.12776455       1.77220732       1.15994552 
O       6.48147662       1.29189969       8.76380831       1.74436967      -1.29419055       3.17713132 
O       6.89449046       0.89462074       1.39508731       0.13864235      -0.41061709      -0.85117480 
O       9.17473497       1.24762588       9.31388279      -1.32396955      -0.65240528       1.01902068 
O       6.75371525       8.55240237       1.61121068      -3.88928758      -1.14207562      -0.53389288 
O       8.38733878       9.55573783       6.14735229       0.31513201      -0.73630407       0.08788777 
O       1.57757619       6.11935866       6.18121621      -2.05456294       3.05867148      -0.48785899 
O       8.77656284       6.96239380       7.09836659       2.09194674       0.25765220      -1.73263473 
O       8.05402213       5.87296809       9.26409340       1.51969691       1.31068272       1.06318677 
O       8.67118181       5.87982209       4.48091953      -2.27845210       3.02607821      -0.51549721 
O       6.23074802       8.83596323       6.75020929      -0.38003965       1.40675627      -0.77273342 
O       5.27925741       7.46371913       9.81190404      -1.23852811      -2.06804436       1.27808608 
O       2.78414306       5.89593973       9.61563066       1.31908767       1.16042950       0.43488980 
O       6.37093450       5.91064673       1.05650313      -0.43847589      -0.96656079      -1.01119649 
O       8.71090962       6.75945094       1.42276979       0.80541793      -3.04861931       1.50906008 
O       9.56398865       0.73974610       1.63129260      -4.06909889       1.95311935       0.30396067 
O       8.99128394       8.37044686       4.08827240      -2.38459668       1.18441304      -4.28609786 
O       9.05085096       9.02919011       0.95745133       0.37178472       0.14211661       0.06117080 
O       6.17705997       3.54371026       3.62698646       1.75337808       0.38712921      -1.55445920 
O       6.31640089       6.31584084       3.42857316      -0.09403423       0.17684746       1.19709406 
O       6.18819130       9.23881010       4.02030260      -0.50829244      -2.62598633       0.26349166 
O       8.10314890       1.53136404       6.83003531      -1.49185301       4.13553984      -2.25244669 
O       1.04413982       6.66729176       3.43783763       0.14513028      -0.31783872       1.09896683 
O       8.95164813       3.77856770       3.82417103      -0.00526916      -2.33956307      -2.12884811 
O       3.58286714       6.11706322       1.42439885      -1.12471463       3.58490182       1.96034994 
O       3.97553604       9.63639414       9.07428164       1.15090076      -1.46528495       1.07710526 
O       4.03180443       1.55351670       9.16268168      -0.32436385      -0.87101258       1.13498877 
O       6.58191028       6.33366792       6.30055684      -1.22876523      -1.50287363       0.42127271 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02162178822875506 0.010981381323124597 -0.004519459737456682 0.010981381323124597 -0.020576260583267652 0.012543475706171033 -0.004519459737456682 0.012543475706171033 -0.01439634602112901" pbc="T T T" energy=-927.27631559 free_energy=-927.2765827 config_type=crystal 
Hf       0.25916739      10.37376074      10.04748941      -0.48991552      -1.07449134      -0.19910919 
Hf       5.51602881       1.81469412       2.67284225       0.54571334       3.88502080      -6.61330650 
Hf      10.00811672       2.45727736       7.54383873       0.14453766       1.59650682      -1.56288596 
Hf       9.99749572      10.00381825       4.71462727       1.07934386      -0.41347913       1.58739577 
Hf       7.72357007       5.06330736       7.38956024      -0.76885790       3.28226761       2.14857340 
Hf       7.61752193       7.85603438       5.30816066      -2.07517158      -0.35064907       0.97743909 
Hf       8.21654536       2.28468449       0.55253205     -10.61808768       9.24083142     -11.67633904 
Hf       7.75856643       9.78104654       2.42882112      -1.56832611       1.00718972       2.77177799 
Hf       2.71313167       2.78137936       5.14204751      -2.30149771      -0.14179665      -1.40472036 
Hf       5.38155164       2.55933097       7.88430045       0.82736066       2.16195695       0.36862831 
Hf       4.69543885      10.23430417       5.23194861      -0.12283711      -1.67247419       2.07157530 
Hf       2.21524512       2.68448872      10.11745114       3.96109001       1.79010854       1.66927777 
Hf       2.78741815       0.14253321       2.46328360      -1.76136864      -0.03099244      -0.82268285 
Hf      10.41241577       2.51264502       2.43166834       2.43443825      -1.35459715       4.59042714 
Hf       2.57637905       0.13803044       7.80885485       3.85042685      -1.24706421      -2.28199139 
Hf       8.09822591       0.02046153       7.99743442      -2.26116310       0.09522175      -1.65307791 
Hf       2.67714720       5.21750536       7.79826441      -2.56797657       1.33495295       0.37391389 
Hf       5.09304424       5.28686142       5.58486082      -1.53854728       2.62116197      -2.54603026 
Hf      10.17330831       5.42448410       5.04241096       2.93847609      -0.34554787      -0.47742389 
Hf       1.98377360       7.94324033       4.89325840       4.61279869      -0.27494113      -2.48395684 
Hf       4.57004153       5.15168615       0.30384205       4.25521741       1.17525241      -1.50061946 
Hf       4.85825922       7.81723984       2.95566754      -0.71940113      -2.25481563       0.24885054 
Hf       5.09464965       8.24733504       8.10262999      -2.99637903      -2.29046879      -2.14765214 
Hf       7.62542789       7.68044598       0.10476677      -2.47788222      -3.55607364       0.24408754 
Hf       7.66567168       4.97759033       2.56241944      -4.19838090       0.97442326       0.20954876 
Hf       2.14057527       4.99173007       2.47279779       1.91468707      -0.22610040       2.35629473 
Hf      10.45606171       7.70411990       1.82851547      -1.67998534       2.68450446       4.51216189 
Hf      10.06104073       4.87673950      10.02363757      -4.16729810       4.09180997       1.01628673 
Hf       7.58490841       2.32570393       4.74304028      -1.20674024      -0.12770414       1.22342247 
Hf       0.07117790       8.01977745       7.42659311      -0.66355058      -2.77561516       4.25344289 
Hf       5.50655062       0.17150491      10.17553855      -2.33938334      -0.85701008      -1.24711910 
Hf       2.69923225       7.55129234       0.03877853       1.13301553       2.61764844       1.29962648 
O       1.14208859       8.90683395       0.57862983      -0.52941002      -0.88270451      -0.02609088 
O       0.81956249       6.14226174       1.23422098       1.79551325      -2.09832969      -3.31433562 
O       2.85099790       0.63507133       5.79001299      -0.70164659       3.05405219       1.03967457 
O       1.42920116       1.30275460       3.51134908      -1.20179927       1.41537802       1.39988718 
O       3.86632847       3.74564994       1.29960773      -3.88109526      -1.97581173       1.90565532 
O       1.44452849       1.34701784       8.90932093      -3.34766528       0.07177646       0.50937200 
O       3.55368528       4.26449286       3.98845196      -1.36003014       0.09827091      -0.08711198 
O       6.58433917       3.10398741       1.31741733       0.72322658      -0.02596357      -1.71629315 
O       3.95644182       1.42457479       3.69520903      -1.44275004      -1.48033460       1.22988507 
O       0.76202361       3.82812537       3.83879503       0.22320667       2.20763449      -0.15888386 
O       1.29836162       1.15552740       1.24528878      -0.31853698      -0.39064332      -4.10565396 
O       3.92930160       7.11785905       4.84901757       0.70674095      -1.28634397      -1.89921156 
O       4.38080175       0.94570532       1.00630263      -2.96247287       0.59726109       3.57369990 
O       8.83629512       0.80470457       3.92123530       1.55392836       0.66375824      -0.20277807 
O       0.22478938       8.02193925       5.56659447      -4.34162659       5.71333452      -1.63740282 
O       6.68722526       0.76338150       3.66719258      -0.69173614       1.03334514       1.41203903 
O       6.74259314       9.10514908       9.08121717       0.88705328       0.43024795       0.78520418 
O      10.44163970       0.69362511       6.39577613      -0.05752435       1.25868814       1.76468651 
O       3.70247372       3.94786561       9.19265708      -0.79491519      -2.91172009      -1.00187039 
O       1.36012141       9.19737786       8.41991221       0.63975140       2.11327248       1.35026693 
O       1.15918095       3.63727034       1.39105552       0.64139661      -0.09126377      -3.36804554 
O       3.39815368       9.07656537       6.64269431       0.67995957      -0.74561264       0.31665493 
O       9.48484680       9.27892892       8.74407565      -0.68442925      -0.24753341       0.96933345 
O       0.84047218       6.70021999       8.82933656      -0.47786910      -1.33684999       0.30408070 
O       0.83846633       9.18815034       3.40522213       0.49687150       0.91781391      -1.06529294 
O       3.92059843       6.60340440       7.39073549       1.16801083      -0.02658477      -0.64879354 
O       3.50773196       8.80812722       1.42479604       0.79769241       1.56310754       0.58560367 
O       3.29200118       9.12457445       3.77927082       2.61331369       2.14332421       0.22824466 
O       0.87829912       3.90677039       9.04318792       2.53765890      -2.29595787      -0.88704664 
O       9.02925636       4.13455101       1.23567495       2.19709009      -2.06777917      -0.72979415 
O       5.38803126       1.19084759       6.40785549      -0.53720876       1.25913517       0.44412461 
O       6.21793017       4.58558572       8.39108118      -2.90810901      -3.24585546       1.27984274 
O       3.60774132       4.03887926       6.51709991       2.49990031      -1.61068899      -0.07379815 
O       1.25200902       3.49727644       6.31013300      -1.05079394      -1.59458864       1.59129057 
O       8.75583662       3.54507034       9.10567982       2.08932995      -0.08575610      -1.16720490 
O       9.29556097       4.29106685       6.43804085       0.67252091      -2.00619379       0.36323931 
O       6.23387626       3.71186065       5.99896691       1.49097361      -0.05451893       0.44962447 
O       6.63156905       1.42496455       9.19088652      -0.32618329       0.84040944      -2.21585134 
O       6.85918493       0.60957744       1.04377225       0.49311665      -1.24233278       1.37395277 
O       9.10499816       1.23669990       9.34290441       2.49636609      -1.53396244      -0.71627221 
O       6.33359131       8.41591559       1.64321329       2.66588638       1.21699337      -1.27370248 
O       8.40733969       9.50773052       6.24940266       1.19149211       0.29644712      -0.81892516 
O       1.39887943       6.43420572       6.00821128       0.97992659      -5.27525953       3.12178922 
O       8.83668236       7.11741591       7.07665048      -1.44514050      -2.15657961      -1.03776077 
O       8.16106058       5.82990973       9.36607909       1.45919945       2.94688785       0.82973342 
O       8.46791900       6.14496412       4.41498321       1.95049817      -1.59500961       0.39936992 
O       5.94740580       9.13083366       6.48871159      -0.07872608      -0.43766961       0.79793310 
O       4.98823331       7.18729329      10.23989030       1.50369245       2.78721183      -2.69603199 
O       3.26691726       6.02391623       9.53957980      -3.15401553       0.02973980       0.54118027 
O       6.14106922       5.77236436       1.35196343       1.97422806      -0.34296992       0.30738391 
O       8.66994743       6.55698722       1.44106606       1.00659612       1.73351467       0.06949633 
O       9.00399096       1.22166322       1.54611950       8.28111030      -6.87406027       7.90661292 
O       8.81529102       8.35941077       3.72079020       0.40854170       2.84511979      -1.37248813 
O       9.12768428       9.21359085       1.04446156      -0.81124847      -1.22935747      -1.69779611 
O       6.35735262       3.33105853       3.48694797      -1.14409738       0.74024907       2.71877098 
O       6.24700999       6.02448758       3.87684846      -2.12545544       1.15977875       0.46384056 
O       6.38805386       9.16905884       4.02496947      -2.23646929      -3.38717327       0.08950052 
O       7.87551345       1.90194801       6.77040214       2.72013619      -0.65313057       1.59558658 
O       0.83315337       6.81314391       3.54095514       0.97124930      -2.97669909      -0.40361217 
O       8.67158643       3.49614232       3.65074578       2.96125811       0.10827933      -0.12252955 
O       3.45756422       6.50006616       1.79872689      -0.67752841      -2.02434332      -0.06968742 
O       3.85677094       9.61346939       9.23550477       0.89736428      -2.28764261      -1.06551599 
O       3.94936949       1.52406910       9.02157606      -0.09437131       0.02502487      -1.47336317 
O       6.31423229       6.54710535       6.58462751       1.83392336      -0.22648869      -0.03122624 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02175626282238159 0.005634692694175157 -0.003154565267265196 0.005634692694175157 -0.017014553848868647 0.01745765409186528 -0.003154565267265196 0.01745765409186528 -0.021883424570565302" pbc="T T T" energy=-926.13224741 free_energy=-926.13451204 config_type=crystal 
Hf       0.25883111      10.41090288      10.03134425       0.61405801      -1.94750836       0.22167177 
Hf       5.55616763       1.81434162       2.61868019      -3.06237254       1.76994604      -1.80673901 
Hf       9.99984612       2.43113478       7.55616498       0.82095458       2.25090506      -2.31911582 
Hf      10.00522648      10.03254326       4.67484325       1.19300526       1.51099966       1.50156512 
Hf       7.66326205       5.05901517       7.39866469      -2.62792865       2.70419907       2.54442405 
Hf       7.61355451       7.84031185       5.25947430      -1.05614470      -1.02866288       2.21020695 
Hf       8.18996153       2.31508796       0.54451494      -4.78692071       0.75787162      -3.86452594 
Hf       7.72898110       9.79606774       2.44393400      -0.98854606       1.63881976       1.31247178 
Hf       2.74771347       2.74007366       5.20296980      -2.28520369      -0.02603448      -1.76237068 
Hf       5.34113316       2.49397719       7.84500646       1.15335811       4.18109944       1.24910697 
Hf       4.68372163      10.21421116       5.19565706      -1.49198827      -0.38650261       2.63549224 
Hf       2.22007245       2.68471249      10.14082709       4.05492118       1.01090545       0.44477506 
Hf       2.80118821       0.11051742       2.44890293      -1.53105076       0.16599219       0.28083031 
Hf      10.46346602       2.50272411       2.41321371       0.44671459      -1.95471885       7.71201176 
Hf       2.59238313       0.18892935       7.76488508       6.56090348       1.36388447      -3.38727340 
Hf       8.09585124       0.00510416       7.98410990      -6.78590158       3.53330564      -3.93087814 
Hf       2.65809705       5.24987899       7.76401189      -1.53381502       0.77421620       0.10775743 
Hf       5.10808459       5.31821292       5.55413069      -4.41219920       1.88550738       0.33263642 
Hf      10.13864311       5.43804410       5.03945112       4.17892910      -0.41872688       1.57890976 
Hf       2.04291485       7.94733345       4.87582182       0.51762333      -2.79576395       0.68897558 
Hf       4.56960603       5.18691936       0.33451378       2.14635532      -0.75137002      -2.69686157 
Hf       4.89424149       7.81164451       2.93235775      -2.22580780      -2.46958137       0.95598597 
Hf       5.10885543       8.25784938       8.10571343      -4.31415256      -3.39206517      -3.28882078 
Hf       7.61456512       7.64791850       0.11998713      -1.16692781      -2.46685667       0.52278864 
Hf       7.64974746       5.00856296       2.57871354      -1.91090994      -0.38433616       1.30641989 
Hf       2.20581152       4.96145459       2.50765871       0.88193932      -0.33948054       2.54950028 
Hf       0.00425053       7.71715461       1.87859457      -1.27938585      -0.01658839       3.78306427 
Hf      10.04715397       4.86574685      10.05656486      -1.25082098       3.64074309      -0.44144469 
Hf       7.55976871       2.31253620       4.76031317       0.18710133      -0.19046408       2.32999408 
Hf       0.03010445       8.09390337       7.44956412      -0.26017849      -3.91938546       4.81132439 
Hf       5.52381325       0.13730859      10.17073446      -5.13720097       0.24847841      -1.77511535 
Hf       2.66382708       7.58730036       0.05787118       2.61886317      -0.39149885      -0.07797344 
O       1.08086310       8.68025004       0.52105893      -1.22339797       2.20160125      -0.91231807 
O       0.95876651       6.13455716       1.19314670       0.42984611      -0.73179493      -2.28928550 
O       2.77445502       0.63678831       5.81185407       0.66131352       2.75458362       0.04201249 
O       1.28745281       1.39891439       3.52118511      -0.41177037       0.38251909       1.21063612 
O       3.76280121       3.71644861       1.35005795      -2.85335363       0.42432966       0.40902765 
O       1.45648299       1.23864117       8.92837287      -3.80052881       2.74482195       2.58261932 
O       3.62222528       4.29054114       4.05902879      -1.94617224       0.13799053      -1.48111976 
O       6.47546431       3.05017272       1.49407192       3.54929077       0.33648219      -5.66234277 
O       3.87007589       1.41000353       3.80895621       1.77170882      -1.13691562      -1.66324947 
O       0.60659835       3.96218724       4.06604910       1.26604740       0.74923944      -2.81246013 
O       1.50574592       1.09042597       1.25596839      -1.91574089      -0.36540817      -4.60559523 
O       3.89934650       7.12312292       4.91091719       0.01280392      -1.48230238      -1.49768072 
O       4.15068821       1.00514747       0.95978162       1.03691976      -0.36636786       2.02233493 
O       8.74530438       0.76211446       3.83432230       4.36351691      -1.13874111       3.54993245 
O       0.07846018       8.04600575       5.63857221      -0.28746445       4.44531112      -4.84278426 
O       6.80369942       0.76072894       3.63628066      -5.67744427      -0.24551676       0.22755160 
O       6.69037957       9.08130823       8.96367023       2.38172775       1.21550024       2.22545107 
O       0.16710816       0.82263442       6.34853506      -1.70502880      -0.20401057       0.97826772 
O       3.77744133       3.78030802       9.08976105      -1.59461695       0.05878610       0.82798761 
O       1.44700197       9.41606158       8.38850513      -5.39271902      -4.28888228       2.61474377 
O       1.08764803       3.57868275       1.38417546       2.68464289       2.28868273      -3.98477175 
O       3.38241670       9.10115842       6.65852433       0.37140273      -1.20392121      -0.29715577 
O       9.31909674       9.37342783       8.61795993       5.25531967      -4.97854843       3.45260571 
O       0.98709537       6.53521512       8.84510242      -1.41783122       0.84097671      -0.52953756 
O       0.97164967       9.21147510       3.40896871      -0.54712516       0.33060174      -0.74466135 
O       4.01329275       6.63182160       7.48503794      -0.31783814      -0.75632976      -1.42878486 
O       3.51764973       8.86009975       1.46054942       0.47732227       1.67395915       0.49226824 
O       3.32708933       9.04468365       3.88785692       3.49160958       3.94999026      -1.87127820 
O       0.91340108       3.86120369       9.03030005       1.16124466      -1.70057061       0.11740524 
O       9.02822167       4.11727183       1.14977319      -0.13072959      -2.01735455       0.92625357 
O       5.59922641       1.24813234       6.38020724      -1.51273019      -0.24783114      -1.30705437 
O       6.14775273       4.44111668       8.45419718      -0.40941514      -1.71754203       1.08481510 
O       3.60892588       4.00424253       6.43821553       2.50609520      -0.43035643       1.81900657 
O       1.32783737       3.39360517       6.34286311      -2.28848058      -1.20064663       2.52105562 
O       8.77378783       3.46521146       9.15131382       1.38427539       0.50217471       0.11092698 
O       9.22279985       4.32404637       6.55301624       2.31113962      -1.79233149      -0.84496945 
O       6.22275153       3.82611879       6.00900012       2.81425203      -1.11228611       0.89733041 
O       6.70939456       1.50206266       9.28207130      -1.25426605      -0.13262183      -1.59277281 
O       6.86835793       0.39542790       0.95337422       1.36794975       1.43322359       1.96140968 
O       9.19341327       1.12130188       9.28112327       1.76336722       0.76887237       1.15326250 
O       6.26359431       8.41816551       1.58987701       2.79360263       0.75636775      -1.17498412 
O       8.49508967       9.49932648       6.25992873       0.09089178       0.23968512      -1.89003558 
O       1.33114302       6.35921403       6.08347509       1.16290754      -2.33157875       1.87967285 
O       8.79459348       7.04967856       6.98286517      -0.32411672      -1.20035062       0.14625249 
O       8.31305409       6.00945645       9.47770624       0.20880780       1.44236955      -0.15232161 
O       8.47842476       6.19264415       4.41876915      -0.31047250      -0.81797212      -1.45195857 
O       5.79914988       9.24672778       6.42908890       1.98446885      -1.45911788       1.68015282 
O       4.91535161       7.21345000      10.22473378       2.68036300       1.53111816      -0.89625705 
O       3.32690575       6.01540564       9.48210613      -3.21938778      -0.71756473       2.57593643 
O       6.14499384       5.67408643       1.45455438       1.41000753       0.49548143       0.12865816 
O       8.76448997       6.51784845       1.49614172      -0.29498727       1.59924590       0.06467692 
O       9.11062343       1.17325861       1.85468401       0.69754150       0.52603284      -4.26003247 
O       8.75049739       8.53495867       3.41327022       2.67653204      -1.30144638       2.73122361 
O       9.11226160       9.19226806       0.98970376      -0.88565773      -1.18248498      -2.03429463 
O       6.42185466       3.32282791       3.56276753      -2.73315243       0.59824738       2.28076348 
O       6.08176083       6.00028251       4.10475656       1.71101017       1.86298235      -3.91030602 
O       6.32470415       8.84964287       4.04595682      -1.58871258       0.49025670      -0.68755007 
O       7.90975843       2.06775449       6.79604140       3.27438445      -1.53209075       1.70428703 
O       0.81550317       6.67709461       3.55871220       0.82435086      -0.71427329       0.09637811 
O       8.71794374       3.32329062       3.58442451       1.85851017       1.58026889      -0.71343594 
O       3.35320972       6.60799644       1.97550938       0.43380943      -2.62281482      -0.98141988 
O       3.87933356       9.42890863       9.24721215       0.55813963      -0.09178785      -0.34914545 
O       3.89534130       1.53431363       8.89803743       0.57947822      -2.14667637      -0.95731687 
O       6.27284287       6.56626383       6.70148797       2.62051491       0.48416641      -0.41125499 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.05054237118974193 0.013186817449283805 -0.020912587710379855 0.013186817449283805 -0.0395242717799618 0.0016579879306150465 -0.020912587710379855 0.0016579879306150465 -0.036485707475129324" pbc="T T T" energy=-919.9243972 free_energy=-919.92651432 config_type=crystal 
Hf       0.27201287      10.46174527      10.00911467      -1.07638799      -3.77619361       2.60620130 
Hf       5.59750681       1.84649128       2.45722178      -4.49473682       3.41753282      -0.66643792 
Hf      10.00868221       2.40162564       7.56091884       7.34087721       2.77129207       2.94259581 
Hf      10.07243905      10.12670536       4.60597754       5.44143648       3.57778486       1.49764843 
Hf       7.48071551       5.07228872       7.45653817       3.94401600      -0.39365760       3.56401216 
Hf       7.60320637       7.77749623       5.18012344       2.99474845      -1.60978676       4.19546765 
Hf       8.07172466       2.39380791       0.45725813       6.19884466      -5.49688525      -6.37517951 
Hf       7.64062680       9.86585887       2.49374652       3.69487570      -1.06420320      -0.23316174 
Hf       2.79341277       2.64788476       5.33656268      -3.99676551       6.90417162      -2.12064456 
Hf       5.25653131       2.39817441       7.76254264       2.07790964       5.38596311       1.16968955 
Hf       4.63712527      10.16973369       5.14582215       4.39708262       4.10097950       6.22546515 
Hf       2.28714676       2.69725298      10.20675515       0.99013061      -0.24533413      -0.57947290 
Hf       2.80570333       0.04078626       2.41706915      -2.42270741       2.90377950      -0.29264917 
Hf       0.13429139       2.47159606       2.45339701      -2.02241656       2.32118195      -0.31307876 
Hf       2.68166253       0.32057405       7.62312093      -9.97093822      -5.79929168       1.49263980 
Hf       8.01666449       0.00611226       7.90056880       1.39818137       0.36119697      -0.53393657 
Hf       2.58355279       5.33745314       7.68539388      -2.03544438      -2.38909604       4.69285883 
Hf       5.07422235       5.41271402       5.50047687      -0.82117844      -0.49218067      -0.80187078 
Hf      10.10173667       5.48014869       5.07694670       1.30503598      -0.47533868       2.93625326 
Hf       2.19845985       7.91758359       4.83960427      -2.69495119      -0.52016327      -0.08950263 
Hf       4.59142848       5.26117945       0.36849596       0.42385949      -2.44041269      -2.59472605 
Hf       4.94110851       7.75372403       2.86451636      -2.30065928      -2.32308110      -3.92128250 
Hf       5.09307752       8.22700214       8.06192442      -0.09548090      -3.14389266      -1.38771548 
Hf       7.57655544       7.54795383       0.17007627       0.86668961       0.74299189      -0.03463610 
Hf       7.60579717       5.07645877       2.65021296       2.53817532      -1.62487195       1.06403135 
Hf       2.37213021       4.87850012       2.63203652      -5.86918493       2.04398850       0.35164188 
Hf       0.02729700       7.74346088       2.05221114       0.57901853      -2.05654845      -2.12069849 
Hf      10.01718683       4.88365839      10.12917611       3.99995678       0.84364397      -0.72697627 
Hf       7.51008524       2.27463317       4.84490487       1.25249469       0.00541077       2.03760710 
Hf      10.39007504       8.21859977       7.55048236       1.31094902      -5.76377833      -2.79651569 
Hf       5.49698294       0.05281360      10.13589154      -1.84634938       0.27613983      -0.31079699 
Hf       2.60607574       7.66803328       0.10481072      -1.13811042      -1.70183563      -0.25961274 
O       0.77565835       8.46705229       0.28454772       1.53736050       0.99044722       1.96199504 
O       1.30261247       6.09772890       0.85088280      -1.58401914       1.74727040       2.23124076 
O       2.78729831       0.92089080       5.85622824       2.77680090      -4.45854196      -0.58938508 
O       1.04102090       1.57557400       3.80156362       2.48417898      -2.01905401       0.68815650 
O       3.30099971       3.79019262       1.43675640       5.16811463      -0.53805853      -2.44339533 
O       1.19921657       1.39389040       9.11245323       2.56134503      -0.42374542      -4.35431217 
O       3.51394679       4.36923367       4.03732043       1.39904365      -0.93183574       2.71538139 
O       6.63426650       3.03706705       1.19257357      -6.80113900       2.15094173       3.42648399 
O       3.96064997       1.24345761       3.77651874      -0.08283405       1.14896527      -1.18022178 
O       0.56848160       4.14895177       4.08134639       1.57472960      -1.69181015      -1.79340202 
O       1.64699776       0.85002593       0.75885392      -0.08098889      -0.46038853       3.99926510 
O       3.78280275       6.92351658       4.84029765       0.92117250      -0.58390002      -0.37031378 
O       3.98934441       1.11827119       1.07386101       4.28332992       0.29681887      -0.31868467 
O       8.69434613       0.69457199       4.10639724      -4.73541428       2.09512382      -0.82842993 
O      10.35886901       8.46807212       5.35831793       4.47756495      -5.83299177       3.37684317 
O       6.37610355       0.64793021       3.66336760       0.82226262      -1.77355821       0.00007166 
O       6.85536958       9.23166084       9.01447055      -2.18611814      -0.25287216       0.85321300 
O       0.32019204       0.97239088       6.34905104      -1.70506591      -3.73921365      -0.51716034 
O       3.70422922       3.45722323       9.02955423       0.37260051       0.77867284       0.49864449 
O       1.10144321       9.40326832       8.55669540       4.86885396       0.79989036      -2.39469067 
O       1.12609875       3.69270844       0.93914238      -3.58212747      -0.67675677       3.77310270 
O       3.32524801       9.03774403       6.61526501      -0.68480316       0.31273176      -1.21562590 
O       9.39377914       9.02877251       8.77156230      -5.17773450       2.55523880       0.80007306 
O       1.07086223       6.32567939       8.78266024      -1.19737325       2.20680664      -0.87868614 
O       1.25927529       9.27679382       3.29087188       0.41445209      -0.70406060       0.03454576 
O       4.14343974       6.53483383       7.47953052      -0.47103791      -0.68286740      -1.20686420 
O       3.64340448       9.07705309       1.53952621       0.58019952      -2.77762911      -2.03945178 
O       3.79371062       9.26868429       3.86929679      -3.71795306      -4.27804405      -3.31822573 
O       1.04794345       3.64463938       9.03238419      -1.63112418       3.34005847      -0.47978259 
O       8.97535899       3.89431854       1.16602249       1.01057722       2.91689623       1.76856991 
O       5.92912313       1.35418122       6.06916486      -1.03008780       0.45442613       0.45640034 
O       6.03783984       3.95132071       8.75964726       1.70504674       2.31253183      -0.53796546 
O       3.98558454       3.82944746       6.52948425       0.64087745      -0.23485861      -0.50832447 
O       1.32924989       2.99155405       6.70630954       3.82782260       1.54059785      -2.48706888 
O       8.96552568       3.38716553       9.31576472      -1.04881161       1.31737922      -0.64158424 
O       9.32817554       4.25284795       6.71444199       0.04555680       1.41929153      -1.26116794 
O       6.63520919       4.02144645       6.18018612      -1.19294881      -0.36547991      -2.12977390 
O       6.65250501       1.56091264       9.27892892      -1.87757346      -2.33736004      -1.40577238 
O       6.99852668       0.24600290       0.87270315      -0.87241753       3.44858530       0.93293157 
O       9.36569257       1.03463788       9.17784752      -3.95488127      -0.01476267      -1.22236468 
O       6.38661601       8.51198295       1.46315885      -1.55316095       0.50589619       3.78254405 
O       8.57610465       9.56399033       6.09588790      -2.26819447       0.01408945       1.27737529 
O       1.30622404       6.00779651       6.42116326      -0.70921672       2.04461185      -4.01432816 
O       8.72307836       6.75309639       6.76530416       2.02296823       0.77861465      -1.00402492 
O       8.76058294       6.48404346       9.60844792       0.05954049      -3.01231719      -1.95695841 
O       8.38108209       6.20330931       4.14085396       1.69923608      -0.65498293       1.10948092 
O       5.82506262       9.29803382       6.54969647       0.97838631       0.05855329       0.11538050 
O       5.17697636       7.32637182      10.11490409       1.54557420      -2.53387244      -0.15165054 
O       3.11305208       5.85742003       9.78994836       1.09110771       0.54743633      -0.18158242 
O       6.17365846       5.58778958       1.57649649      -1.31530609       1.63004908      -2.31360330 
O       8.89008228       6.55498399       1.68302786      -1.45975674      -1.40599186      -0.13442161 
O       9.37996931       1.02351325       1.81864396      -0.91636174       0.17463805      -2.37991733 
O       9.13165599       8.59390755       3.20661771      -2.66056256       2.31379186       2.04542534 
O       8.88241118       8.94930674       0.61250484      -0.90966598       0.47547663       2.26979636 
O       6.15855919       3.37636535       3.88475128      -0.15971752      -0.77526373      -2.22980843 
O       6.07660350       6.25573890       3.87306012      -0.74608021      -3.02114257       1.08252959 
O       6.12332284       8.37738825       4.12743232       1.68537906       6.28037569       1.71427732 
O       8.32528531       2.11284727       7.00866173      -6.62217196      -3.74458290      -3.18911902 
O       0.92637425       6.40589663       3.60085372       0.60657673       3.58830668       0.41597479 
O       8.89011504       3.11149995       3.41617961      -2.96411595       0.91418485       2.05358302 
O       3.28995389       6.57660193       2.21772687       2.82933166       0.90186419      -1.68143889 
O       3.91094923       9.14111691       9.29525536      -1.07604360       2.31098401       0.06453940 
O       3.94076115       1.15644697       8.51949632       5.30562433       0.89177251       3.38634194 
O       6.48040792       6.67047275       6.84808092      -2.33076734       0.31700949      -2.01972507 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.028879240140763388 0.011804296464241604 -0.0025693420291856006 0.011804296464241604 -0.022191840630058954 -0.0017325870031819155 -0.0025693420291856006 -0.0017325870031819155 -0.053511104491832565" pbc="T T T" energy=-923.31482461 free_energy=-923.31701866 config_type=crystal 
Hf      10.30899192      10.40542204      10.36972309      -3.34861618       1.74851349       0.91055291 
Hf       5.03751278       2.53446673       2.71300346       0.08214377      -2.18447126      -0.44096147 
Hf      10.21382517       2.71942406       7.92361683       1.04258992       1.24858022      -1.84608487 
Hf      10.43951852       0.17071618       5.42638109       1.83955479      -2.10157646      -1.18299063 
Hf       7.64425993       4.84538538       7.79683808       0.67367368       2.92705220       0.53680254 
Hf       7.73958870       7.29741299       5.17168507      -2.38444248      -0.43009474       3.72513160 
Hf       7.51556356       2.66908551      10.45769014      -0.10062935       1.66213529       5.46242796 
Hf       7.80348202      10.05070599       2.43634004       1.89625644       3.74277273      -0.51533107 
Hf       2.89314833       2.49501523       5.04163688       0.39111974      -3.67873318       0.17429109 
Hf       5.00592349       2.82002873       7.87242550      -1.05106058      -3.03884294      -2.35596803 
Hf       5.87317543       9.84578868       5.16527180      -5.39197201       3.67582513      -2.94986367 
Hf       2.24277594       2.31584760      10.02804426      -3.92041105       3.89059858       5.18285699 
Hf       2.49631314       0.05301748       2.50760701       0.32603353       2.84845479       0.54295661 
Hf      10.06543005       2.63945203       2.49662074       1.98866785      -1.18836560      -2.10871338 
Hf       2.32737674      10.41280699       7.86258444       1.62728002      -0.81345278      -2.26810896 
Hf       7.65348505       0.57389262       7.85447157       1.19479426      -3.46627703       2.11028028 
Hf       2.00971114       5.11076226       6.98744183       0.70391661      -4.30246632       3.38322428 
Hf       5.20267873       4.94706943       5.30386261      -2.00510869       5.00265082      -4.15300911 
Hf       9.95821628       4.89535060       4.89828218      -3.71480370      -0.53402849      -0.32553462 
Hf       2.45362549       8.03378981       4.80171715       1.17557360       0.67429020       0.36767224 
Hf       4.78368179       4.46374335       0.29817513       0.74477104       1.96306368      -0.41745325 
Hf       5.22955018       7.49600077       2.26497946      -0.57024666       0.55274256       1.55385632 
Hf       5.16234577       7.84864263       7.79048154      -0.16400875      -1.99834004      -2.11496358 
Hf       7.75637219       7.93798159      10.22813445       1.15811857       1.21616528      -2.36455580 
Hf       7.83476518       5.55330533       2.32277978       0.91845385      -4.45911264       1.93809388 
Hf       2.33487305       5.20645347       2.89125353      -0.87957977      -0.85472147      -3.47153493 
Hf       0.03463904       7.94499499       2.19162783      -0.61333574       2.17870615      -0.36341700 
Hf      10.44929447       5.59101515      10.07814952       1.92835632      -2.54366684       1.15737169 
Hf       7.73555230       2.35938845       5.15727939      -1.36256087       0.23383280      -2.14759151 
Hf      10.29040908       7.53621808       7.42663550       1.42066041       5.30260514       1.32573184 
Hf       5.04068456      10.23453998      10.42390274       2.56734295       3.70580543       0.81330915 
Hf       2.79884493       7.61176835      10.30573128      -0.46049674      -2.21521193      -2.46892372 
O       1.21215133       9.52014961       0.93114935       2.67460011      -2.82319087       3.72687141 
O       1.51014236       6.91939939       1.28414696       0.35681577      -0.53264060      -6.49091847 
O       3.92032474       1.27728176       6.93450777      -1.57532469       1.64083572       1.65517648 
O       1.57881612       1.66896600       3.89838665      -0.77917862      -2.00817437      -0.30475528 
O       3.73991006       3.19904029       1.44183407       0.22581156      -2.00822549      -4.39040634 
O       0.19068307       1.71366808       9.40913358       1.37592430      -2.53365079       3.62426482 
O       3.35341747       3.62441900       3.37184646       2.49075856      -3.35107439       5.11948455 
O       6.12005896       3.91979777       1.76585601       0.13168674       0.14980561       0.22337347 
O       3.69847040       0.64080178       4.57496023       1.31666535       0.82986858      -2.13558343 
O       0.86479385       3.86747315       3.50709708      -2.97762124       2.89747187      -0.64194499 
O       1.27176031       1.51380731       1.39202846       0.16181672      -0.88946141       0.02928025 
O       1.30701832       6.85063729       3.25364057      -0.81532563       0.84633316       7.03838452 
O       4.63620612       0.48299640       1.85088928      -2.48490183       0.25730768       1.52023746 
O       9.49882358       1.04064464       6.81435234      -6.26530956      -0.74375408       1.02238292 
O       1.35369056       9.12977207       6.30961314      -0.35320614       0.33222000      -0.13195776 
O       7.07395439       0.99712304       3.77997426      -0.81150946      -0.90523950      -0.64711974 
O       6.12608435       8.90117771       9.29776327      -1.10834291      -0.43819269      -1.78245253 
O       1.02156925       1.29617189       7.13166753       4.36056035      -0.57055595      -1.94345877 
O       4.05516237       3.15393641       9.51010865      -0.55022599       0.71844418      -1.83701060 
O       0.99807368       9.64215316       9.03812553       0.40811554      -1.11940346      -2.10129095 
O       1.13883853       3.93313987       0.74337127      -1.21953791       2.09533782      -0.07980775 
O       4.27193977       8.67603938       5.88458536      -2.77086048       3.37871029      -0.24632290 
O       8.57418693       9.78474980       9.28462986      -0.80377911       1.09567991      -1.60312991 
O       1.12185984       6.24894895       8.41820298       0.34121692       0.22906027       2.94933961 
O       1.34712972       9.53896072       3.70749750      -0.73336043      -2.36768007       1.22137358 
O       3.28459080       5.61384738       4.53571501       0.31111008       2.90367274       0.72690766 
O       4.16482564       8.53672160       0.79294202       0.87111641      -0.16726483      -1.30541449 
O       3.72534990       8.61252399       3.02155342       0.65385615      -1.82665373       2.02228595 
O       1.50980576       3.56098556       8.72120041       0.10382353       2.30694011      -3.52154793 
O       8.49610824       3.79552776       1.41797825       2.44965062      -0.36317093      -0.54636167 
O       6.38430256       1.08736439       6.32998811       2.52186589      -0.00620417      -1.08319562 
O       6.49907669       4.15864263       9.44102849      -0.77028053      -1.09586590      -0.19195324 
O       3.45290237       3.90869125       6.45973152       2.44964459       0.07871051       1.17201342 
O       0.83637089       3.91639730       5.84769379       1.74469236      -0.58142795       3.21800416 
O       9.31766820       4.42248559       8.90474050       0.76726776       0.79253287       0.89921395 
O       8.84694416       3.31849323       6.44549351      -0.29004505       1.49150465       0.67736543 
O       5.98462664       4.42050633       6.87462163      -2.08817716      -4.47501899       6.92425054 
O       5.84368523       1.09310940       8.69653482       0.79549147       0.44098716       0.66349212 
O       6.42508107       1.33158574       0.67799656      -1.48310902      -0.99620148       0.57423199 
O       8.92799473       1.06250884       1.16583860       0.51426709       1.40341016       1.83695410 
O       6.81725105       9.20191831       1.05481786      -3.80454898      -2.44317391       0.13253270 
O       8.74979804       8.85547401       6.57895326       4.80013407      -1.36615502      -0.94684492 
O       1.57112712       6.58589298       6.06887076      -1.70220586       5.00081668      -2.99955951 
O       9.54960998       6.08981980       6.60665761      -0.48557632      -1.60070269      -1.32122611 
O       9.56608723       7.34381489       9.39530187       0.07309306      -0.47071333      -2.17460135 
O       7.57678350       5.28591736       5.88577213       0.57484438       3.14448354      -4.23758432 
O       6.70009157       8.77204625       6.30871985      -0.58320673      -0.70006260       3.67263981 
O       6.81864421       6.65388571       8.22289855       1.11571129       0.13552286       0.92614364 
O       4.07518295       6.16673381       9.33097284      -0.43011471       1.15128733       0.34645618 
O       6.99250077       6.32545510       0.83014225      -4.29235366       2.50820468      -1.17281524 
O       9.35214826       6.39149514       1.10681509       0.85618382       0.24496087       2.28929380 
O       9.73305944       1.63085605       4.36136183      -2.83921412       1.81992201      -1.75240915 
O       9.16346277       9.38047137       3.54433980       3.02461552      -1.03109856       1.57026595 
O       9.18146223       8.97292131       0.96244067      -0.10660666      -1.29396115       1.49471400 
O       5.57191580       3.05739681       4.98461274       1.03195716      -2.20692142      -3.44308299 
O       6.15371260       5.96265034       3.69551150       0.50256188       1.18176583      -2.82380015 
O       6.87083057       8.50071525       3.68038324      -2.72587059       0.42474757      -0.48824444 
O       8.33074929       2.16084893       8.91331494       1.29978910      -1.62888687      -5.08284686 
O       8.95753851       6.52867939       3.86842014       2.03822670       0.17195670      -2.05425852 
O       8.27555568       4.04430808       3.80315208       2.16708185      -2.13399338       1.29670354 
O       3.77111305       5.69073041       1.46780490       1.24741881       3.64504209       1.34801135 
O       3.16237688       8.50291200       8.36888676       1.77502008       0.19799238       1.31055772 
O       3.41835313       0.82758640       9.78311320      -0.40098249      -3.79626850      -1.21282650 
O       5.28973460       6.91817662       5.87074559       1.98883379      -3.80304449       1.84873562 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.059652891241339975 -0.024515960893492027 0.014018724414281505 -0.024515960893492027 -0.04904828350370097 0.006542961614784786 0.014018724414281505 0.006542961614784786 -0.06271389046348017" pbc="T T T" energy=-923.74924646 free_energy=-923.74926269 config_type=crystal 
Hf      10.23203845      10.44963263      10.38905971      -0.87711292      -1.67409829       2.15951330 
Hf       5.01201911       2.47222194       2.77998966       4.25176211      -4.13905870      -2.28909406 
Hf      10.29940237       2.58930617       8.02942436       2.02825946       2.05722440      -3.92121659 
Hf      10.43920097       0.24599013       5.41898955       1.62032079      -2.61859754      -2.83209972 
Hf       7.73740901       4.80866733       7.76737541      -0.26017781       4.05254192      -1.61900509 
Hf       7.65943843       7.25298356       5.20527561      -0.53602660       7.20805718      -0.96369120 
Hf       7.42939680       2.61898234      10.33036840       1.78008992      -1.20081707       1.82170831 
Hf       7.77768493      10.15816592       2.37342834      -1.12657453      -0.69670778       0.31964181 
Hf       2.98328764       2.51583794       4.91072189      -3.42617956      -7.34664800       8.58929046 
Hf       4.84725495       2.79835438       7.83726849       0.97092981      -4.13635178       0.67630071 
Hf       5.80765869       9.94068906       5.11934245      -3.09512876       0.82767475       0.68133659 
Hf       2.13083417       2.28360364      10.03905795       0.82293119       2.80963309       2.73663192 
Hf       2.57210277       0.02702383       2.43680191      -1.68743812      -1.22712636       2.61097832 
Hf      10.06917213       2.56909813       2.44949312       0.88266141      -0.89618386       0.19793748 
Hf       2.31578543      10.23271739       7.88887365       4.18553255       1.82787313      -5.08343227 
Hf       7.69962341       0.57958707       7.80928323      -3.84969868      -6.48341401       2.11469133 
Hf       1.94575355       5.07319980       7.10360430       2.36962217       3.81585680       1.05770019 
Hf       5.11502902       5.00615218       5.32380710       1.46239177      -0.64128202      -1.19221081 
Hf       9.87761168       4.85777935       4.88777966      -0.36789671      -0.84866694       1.41034752 
Hf       2.55362155       8.03233061       4.93020807      -3.27959165       1.98970256      -4.40981332 
Hf       4.87893405       4.59684829       0.29725233      -0.30916169       4.11615928      -0.72335051 
Hf       5.24673170       7.43235486       2.35040845      -0.33726284       4.02848825      -2.04639094 
Hf       5.09135489       7.73669772       7.81320606       1.36270652      -0.54807082      -1.63145490 
Hf       7.78848207       7.94488677      10.16991402      -2.87570156       0.26417750      -1.71225781 
Hf       7.92948398       5.45548153       2.35163059      -3.58440022      -2.67731143      -1.78048434 
Hf       2.30914609       5.22645271       2.92124494       0.07609233       3.64176413      -0.81782136 
Hf       0.02100545       8.03915604       2.25864803       3.17165868       1.84272545       1.15736471 
Hf       0.13861519       5.50258633      10.05203164      -0.29751035       1.38174927       4.68200774 
Hf       7.70835536       2.35086645       5.17855540       3.91762700       4.54478243      -3.23652156 
Hf      10.27853591       7.58931950       7.46465711       1.23614716       2.45207112      -2.86497940 
Hf       5.05549549      10.14832895      10.40744380       2.69359085       2.08849068      -0.37805665 
Hf       2.92563499       7.67246163      10.26098618      -1.18232499      -2.01478171      -1.68920128 
O       1.42308189       9.37793321       1.11713456      -1.30268128      -0.37865397      -0.14837992 
O       1.34653869       6.91241288       0.59941141      -1.12835645      -0.38185501       2.41205866 
O       3.86230589       1.58964727       6.95026023      -2.53972169      -2.61753850      -3.39842453 
O       1.49269740       1.73179512       3.91772766       0.35841376      -0.00642741      -0.15758732 
O       3.75893835       3.17495212       0.96513184       0.31572444      -0.33605113       4.52939181 
O       0.19725051       1.79640119       9.83830807      -1.14020763       1.23726725      -2.88546136 
O       3.65074003       3.46869094       3.56347850      -1.03488692       6.89802227      -3.00073489 
O       6.14919225       4.03394298       2.41572089      -0.76008597      -0.69669540      -2.72809855 
O       3.97837971       0.83766839       4.41182587       1.24195283       1.20726235      -0.92554257 
O       0.66576984       4.26873408       3.38855743       0.35496985      -0.70627317      -1.27967761 
O       1.12144422       1.44436679       1.31392350       1.79907944      -0.25981837       1.88524711 
O       1.00014285       6.92340438       3.65742960      -0.13334589      -1.07042368      -2.82264950 
O       4.48137785       0.53700900       1.96424775      -0.96434513       0.72742675      -0.95499831 
O       9.29188032       0.85979875       6.90531910       5.02131855       2.78837948      -3.52329290 
O       1.35377670       9.34822574       6.29947684      -1.81604185       0.82437197       0.53352128 
O       7.08694472       1.08797415       3.73353008      -1.14888346      -1.66325630      -1.69013181 
O       6.07626712       8.82374635       9.09944354       0.31577051       1.02111731       2.66603592 
O       1.36281803       1.47684791       7.28435107      -1.44208875       0.08569024      -0.52561411 
O       3.82680935       2.91407947       9.36715690       1.43652995       2.96400381      -0.47923065 
O       0.95085888       9.81121599       8.98115245      -2.91124581      -1.99684770       1.99204565 
O       1.17263326       4.15272305       0.47332762       1.08562169      -2.01956402       2.03502152 
O       3.82364950       9.00438438       5.80928514       5.44837740       2.33828766       2.17566943 
O       8.65309998       9.98244501       9.07006994       1.40172669      -2.65896813       3.55681663 
O       1.03921024       6.24391440       8.62621724       3.45660924       1.75371755      -3.72449446 
O       1.39651888       9.67211475       3.83650880       1.13045789      -0.93115298       0.33501594 
O       3.13498798       6.08077376       4.55991307       2.11857800      -3.39527833      -1.68495803 
O       4.35792923       8.45743971       0.66116158      -1.54277695       1.12245798      -0.39558178 
O       3.54742168       8.47505747       2.94631254       0.02819311       0.12217673       1.39007079 
O       1.67980500       3.78010592       8.50773326      -1.67697040      -2.26208744       1.62046750 
O       8.53091819       3.77173328       1.18899224       1.12797035      -0.62950443       0.00655268 
O       6.87750403       1.09769422       6.15104320      -4.31949001      -4.27881970       0.46480149 
O       6.53065447       4.16086931       9.45244094      -0.60969866      -1.12709169       1.92984286 
O       3.58155750       4.05601944       6.33065983       0.18939771       1.01663283       0.19634830 
O       0.85746259       4.03696573       6.12687266      -0.50902968      -2.29716400      -2.86504486 
O       9.38784020       4.70313611       8.84085681      -1.53705171      -3.21615911      -0.44081235 
O       9.11929551       3.62574538       6.50924670      -3.50598740      -1.31214638       0.27421149 
O       5.95112298       4.17259491       7.20083760       1.62275419       3.01333098      -3.00872690 
O       5.94013556       0.99289909       8.52876624      -0.96158958       2.80655230       1.81213084 
O       6.41764348       1.15667586       0.66981597       0.50612910       1.10296668       0.36983059 
O       8.93885393       0.95672267       1.41502051       1.24152757       3.44687428      -0.15553715 
O       6.36523597       8.97876815       1.16753800       3.94762474       0.71681707       0.84873786 
O       8.93011853       8.90859385       6.43324471       1.23420922      -2.00475476      -1.08066929 
O       1.46115656       6.94109749       6.06355299      -0.78511644      -2.41784733       4.16861349 
O       9.66587407       6.07549430       6.43784230      -1.10777687       1.72401602       1.36237194 
O       9.48536007       7.25581163       9.20781957      -2.42048874       1.06063228       1.71645697 
O       7.48687235       5.64398668       5.74049112      -1.54834301      -8.59898776       3.41393433 
O       6.43554047       9.06494924       6.80142940      -0.69296353       0.66946970      -3.17747993 
O       6.82736214       6.77497399       8.19141476       2.21087810      -2.59466873       0.56575496 
O       4.07077605       6.24272889       9.31727656       0.41754303      -1.06326560      -0.15986290 
O       6.38701938       6.35197875       0.78104384       2.56716460      -0.15104600       0.45344403 
O       9.43677963       6.62892686       1.43356054      -2.11247461      -2.26910803      -1.41498575 
O       9.63713860       2.06411016       4.32363149       0.62296584      -3.47734156       0.62101654 
O       9.53376781       9.71779155       3.58011861      -2.35123922      -0.99188752      -0.50845729 
O       8.91229867       9.08085609       1.00342557       1.65789698      -1.37522749       0.09895280 
O       5.88559546       3.01902741       4.99068690      -2.13401324       2.02332374      -2.06056733 
O       6.24120187       6.28078263       3.54820738       1.44730799      -2.48875738       1.10305757 
O       6.43272569       8.64809034       3.51963685       1.89581704       3.25006530       4.50822844 
O       8.54545344       2.05743429       8.74111036      -2.64717109       3.01774164       2.65717677 
O       8.77707181       6.25920928       3.83061957       2.09925988       3.48743235       0.89331684 
O       8.48632674       3.83456344       3.89417034      -1.12759942       2.54703006      -3.10031724 
O       3.99769927       6.19761392       1.54727110      -3.60649229      -4.93531356      -0.42271375 
O       3.30960983       8.56983906       8.43335981       0.25075669      -1.53983336       0.61541228 
O       3.52620031       0.44643597       9.39380154      -2.29333249       1.01040756       2.11633882 
O       5.40626590       6.78251478       5.81357073      -0.58338114       2.28319406       2.38112984 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.053188717300998334 0.001430793521912313 0.0009683287159847191 0.001430793521912313 -0.05174296743177143 -0.009245317843050129 0.0009683287159847191 -0.009245317843050129 -0.04812586171772955" pbc="T T T" energy=-925.70153512 free_energy=-925.70154729 config_type=crystal 
Hf      10.45168997      10.11121329      10.36436869      -2.04521364       3.57712731      -3.44142085 
Hf       5.27979903       2.25598658       1.94470714       4.08873078       0.41075052       3.29764169 
Hf      10.27867186       2.37491653       7.49810782      -4.32540087       0.84989756       3.18445225 
Hf       9.87972868       0.26768562       5.01240542       8.09336878      -3.81989369      -0.96675556 
Hf       7.37144848       4.58403986       7.43139166       2.80206957       3.25691724       2.24830482 
Hf       7.70175851       7.80726388       5.47384081      -0.06535841      -1.56007373       0.52889496 
Hf       7.99975812       2.69748031      10.19816198      -3.22439575      -2.62571015       1.15215530 
Hf       7.79017414      10.12557417       2.81270124      -0.59686887      -0.12398084      -5.96413456 
Hf       2.10072909       2.87852139       5.36430816       1.55627313      -3.72920108       0.52451811 
Hf       5.02423159       2.60365910       8.13652980      -3.83656371      -1.38236849      -0.31837359 
Hf       5.02546022      10.46379790       5.24977915      -2.43647219      -0.16816875       0.46604516 
Hf       2.48240649       2.62954892       0.02114162      -0.89140150      -2.09595366       0.06729252 
Hf       2.87827429      10.27175705       2.38529659      -2.02518671      -0.69603615       3.34651835 
Hf      10.45019791       2.64619698       2.53023546       1.25418379      -1.33128516      -0.78539747 
Hf       2.63268344       0.00607542       7.64569129       0.39879759       1.34539783       0.21074600 
Hf       7.69708828      10.34943897       7.70364463      -2.58725652       3.24235226       2.06801557 
Hf       2.25853960       5.01379930       7.86920191      -1.56439744       0.61818624       0.72199593 
Hf       5.21728400       4.97308223       4.81274214      -0.41509504       0.46290896       1.29913433 
Hf      10.09745756       5.53307490       5.00927215      -4.81629408       0.75428112      -3.97744805 
Hf       2.51089790       7.63709801       5.13982962      -2.42169844       4.86260495      -2.12280047 
Hf       4.90577378       5.00158033       0.16264538       0.00603469       3.72079770      -0.24228248 
Hf       5.20365931       7.84785567       2.37080195      -0.69944430      -0.04576334      -0.98417827 
Hf       5.52610263       7.90226903       8.03533703      -5.25651762      -3.30674364      -1.55539767 
Hf       8.45143421       7.60024087      10.16073851      -4.06191842      -1.39620523      -0.82016616 
Hf       7.52190377       5.29760047       2.03621334       0.96679473      -1.14581982       0.34885555 
Hf       2.32159396       5.04596152       2.78188331       2.92109239       2.83082589      -2.77495109 
Hf      10.26965523       7.73219066       2.59772340       4.05460730      -0.31245967       0.17456489 
Hf      10.16004198       4.98095082      10.33692213       1.78460870       0.80075516      -1.24018837 
Hf       7.26926739       2.31656401       4.88545491      -1.99903485       3.21895263      -0.48889026 
Hf       0.09390965       8.26520670       7.45600596       0.24733704      -0.46498534      -1.96024558 
Hf       5.14732551      10.08175774      10.09746824      -1.34784982       2.14962433       2.17622988 
Hf       2.44487114       7.59235930       0.11380192       0.11230771      -0.05529989       1.63281415 
O       1.07271433       9.12284931       0.88092613       3.95880366      -3.87438130       1.24168009 
O       0.76544742       6.27582699       1.29759424      -0.28933897       1.73020072       0.55608986 
O       4.57504071       1.52005249       6.64821857      -1.26140900      -4.18095304      -3.48096037 
O       0.52141091       1.97080985       4.55502044      -2.13849821      -0.22440247      -2.41169142 
O       4.06630646       3.83462279       1.59468120      -1.77768116       0.32453535      -1.51257757 
O       1.42907515       0.98596492      10.08910030      -1.18075534       1.01156837       0.33097555 
O       3.09029825       3.82478875       4.08535997       2.18390442       1.57666000       0.61724125 
O       6.45660715       3.97704077       0.87623508       0.13490531      -1.94616296       1.43488595 
O       2.95243527       1.05729793       4.14982245       1.16337858      -1.47148582       0.10840303 
O       0.66382847       4.38786172       3.12708496      -4.98615318      -2.94843441       1.41981822 
O       1.91622380       2.15435465       2.02519662      -0.66002537      -1.82987551      -0.04111663 
O       1.26245848       6.41912152       3.91989479      -0.95025030       1.29129696       1.04820798 
O       4.24989209       0.87503461       1.00321416      -1.61141475       1.28314442       0.21057011 
O       9.25719188       1.02851002       6.48589242      -3.52458680       0.07196109       1.30882892 
O       0.81623508       9.20402756       5.51637555      -0.29979028       0.02819436       3.53516090 
O       5.54260040       0.92994647       3.55158000       2.15702619      -1.96034732       0.16573561 
O       6.50668017       9.29100535       8.97319647       1.90191572      -1.28154439       0.83007299 
O       1.14072987       1.19176861       6.81223199       3.82708804      -0.54667566      -0.66546258 
O       3.78910675       4.10134845       9.26160590      -0.29488002       0.17930112       2.08945926 
O       1.27253429       9.43976742       8.62523728      -1.90054958      -1.93203201      -1.54026489 
O       1.16988954       3.91843779       0.61531041       0.83602722       0.06662772       0.11265848 
O       3.36442478       9.16850193       6.25264656       1.48610382       0.99399099       0.71294471 
O       9.25007822       8.92435877       8.97898166      -0.00186162       2.23777138      -0.15836432 
O       1.83841754       6.19825434       9.40446817       0.40421257      -2.08988318      -1.28686627 
O       1.49583810       8.82954829       3.06147507       0.49411814       0.45364454       0.93503121 
O       3.78377747       6.41684418       4.61406153       1.97749879      -3.50980684      -0.43081394 
O       3.75610734       8.79917590       1.11827757       1.54610318       2.13051972       0.45896843 
O       3.99225569       8.79753616       3.72146841       0.70559535       2.19064182       0.03580018 
O       1.06632063       3.45848766       8.44070143       2.33406338       3.14928801       2.06212855 
O       9.23713498       3.73880672       1.25286160      -1.72484111      -0.77349182      -0.01550773 
O       6.83153260       0.69911066       6.15359988      -0.05463001       2.30322459      -2.34282202 
O       6.32207085       3.70599905       9.02472827       2.09286571       2.61594772       0.84537709 
O       3.30003054       3.58183831       7.17744679       0.56865315      -0.06348825      -4.74369650 
O       0.71457164       4.32847452       5.78871947       4.76250607      -4.14390458       3.76227535 
O       9.00246655       3.76419133       8.96522028       1.30309135       1.46005327       1.53614386 
O       8.96332181       3.57305958       6.77965113      -1.72024928       0.24702221      -3.23838812 
O       6.27797099       3.58430519       6.27878778      -2.31179878      -1.30336025      -0.17416690 
O       6.30489393       1.24405879       9.20287147      -2.07186750       0.13736819       0.23459330 
O       7.23079291       1.60743092       1.45902669      -1.26832671       0.02055952       0.39062655 
O       9.67466987       0.68144905       1.29860612      -0.79676916       2.51347693       2.38330647 
O       6.31688370       9.48905464       1.09505370       0.57136982      -1.21293001       2.75812589 
O       8.70705701       9.12997857       6.77377163       2.01470937      -4.02575658      -3.93739268 
O       1.61800911       6.66914197       6.63011027      -0.52463800       0.00479278       2.08829699 
O       9.65336466       7.32300233       5.58314070       0.58918866       0.20160279       1.86652296 
O      10.12797365       6.79990710       9.46644262      -1.29283685       1.02881972      -1.87056170 
O       7.92449474       5.71812108       5.98299004       1.49439014       2.63997667      -2.38986515 
O       6.09846258       9.16409095       6.59656421       0.16254235      -2.74183636      -1.67693299 
O       6.90118642       6.77132338       8.42238506       4.40940994      -1.30160239       2.45239138 
O       4.18025366       6.87897683       9.74714506       2.19444179      -0.76159290      -1.04501180 
O       6.35720683       6.71060131       1.01777494      -0.12362301       0.30591228       0.06425498 
O       8.18778142       5.63922331       0.01820679       1.48694800       0.06415281       1.77048526 
O       8.51835069       1.09106074       3.91637124      -0.66708214       0.30954732      -1.70127950 
O       9.38966467       9.02042959       3.88330077      -3.34293275       1.58466353      -0.57594050 
O       9.04155540       8.67683220       1.30340393      -1.25010919      -0.80312825      -0.23760922 
O       5.62495243       3.18354372       3.91076680       0.11034377       0.74812989      -0.75722170 
O       5.98125286       5.84582327       3.23254040      -0.11181366       0.87691608       1.10547336 
O       6.73487086       8.79031208       3.81425661      -0.26128524      -1.29089064       0.91366231 
O       8.68138070       1.23584335       8.66103797       2.71050106       2.29915407       3.77070245 
O       8.83822990       6.07724885       3.31063269       1.70519471       2.81506513      -0.72867723 
O       8.12816846       3.77995510       3.95105780       1.38149331      -0.08684245      -0.69672473 
O       3.60354238       6.55985297       1.93301357      -0.69571535      -1.42679248      -1.55712368 
O       3.60621587       9.27615810       9.03728457       2.08312916      -0.24642360      -0.26624851 
O       3.28799190       1.62166861       8.82592081       2.33671065      -0.54646763      -0.02624219 
O       5.69418719       6.29744106       6.52982157      -1.67128971      -0.23601709      -1.52147429 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03487548631317539 -0.009077958810020355 0.013436346286997327 -0.009077958810020355 -0.03776029797500838 -0.0037695161392283876 0.013436346286997327 -0.0037695161392283876 -0.030690754621951352" pbc="T T T" energy=-930.12620196 free_energy=-930.12621169 config_type=crystal 
Hf       0.06904385      10.35181835      10.32458352      -0.52418376      -0.93943233       1.00203420 
Hf       5.47171952       2.18653121       1.99514209      -2.93348152       0.29756265       1.76196181 
Hf      10.26985848       2.58436905       7.51791940      -3.05907722       1.30820341       3.71709976 
Hf      10.02227006       0.09779743       5.27466044      -0.99326221       0.63139933      -1.03833924 
Hf       7.22930127       4.75037918       7.19846805       2.78566468      -1.81723110       6.25060747 
Hf       7.68117045       7.79844998       5.30668890       0.90934450       2.11211058      -3.51576347 
Hf       7.90682507       2.68463200      10.43955881      -0.84520046       0.93508349      -2.09130494 
Hf       7.67747483      10.08247593       2.63403012       2.08717041       0.94668791       0.39650914 
Hf       2.07814052       2.76594391       5.38117318       0.98922104      -1.11473370      -1.46018179 
Hf       5.17185776       2.60832043       8.03893468      -2.76544129       0.79804969      -0.06379077 
Hf       4.91054951      10.36995502       5.02308167       0.82090268      -2.10270806      -0.27072123 
Hf       2.37066578       2.56616634       0.02709804       0.99616045       0.78537566       0.80979978 
Hf       2.68378811      10.26800366       2.63753651       0.44330772      -2.31439850      -1.11734093 
Hf      10.45589456       2.39262283       2.46662912      -1.40981861       0.32266245       1.44526390 
Hf       2.65890012       0.30966001       7.57458832      -3.20609199      -4.24939993       4.05580830 
Hf       7.74903706       0.05060083       7.99334496       0.58975079       1.69985064      -3.72054116 
Hf       2.36975659       5.05160625       8.02117364       1.46277087      -2.38899223      -3.41472013 
Hf       5.12791385       5.06055831       4.97629441      -3.75620613      -0.90099919      -2.46720046 
Hf      10.13579075       5.58158804       4.89615042      -3.45435343      -4.87310045      -3.29437416 
Hf       2.24580025       7.78641311       5.11951546       4.37973169      -2.69158565       2.96682788 
Hf       4.91148895       5.29096542       0.06558069       0.36051418      -3.64885400       1.06806900 
Hf       5.17248584       7.81475140       2.37597278       0.75611395       1.22327770       0.24766173 
Hf       5.39539884       7.73352018       7.91723046       1.89280350      -3.23778898      -4.14349299 
Hf       8.37326865       7.57536973       9.88955822       1.16339838      -0.88587479       2.48134529 
Hf       7.23660018       5.20888540       2.30798957       5.19924533       0.78715988       2.21803433 
Hf       2.41846105       4.95610302       2.61807084      -0.72057406       0.47708175       1.00163770 
Hf      10.45031775       7.72655420       2.65305757       0.09991566       2.48551329      -4.37205838 
Hf      10.20100565       4.95730809      10.12196291      -2.96180344       2.03712627       3.12989711 
Hf       7.26733345       2.37895596       4.84441202       0.43687233       0.58020059      -0.71858805 
Hf       0.26991901       8.00708436       7.37781905       2.47578750       2.26787949       7.34848544 
Hf       5.32557442       9.93678527      10.03252453      -0.99148229       2.78689154       5.70438069 
Hf       2.42705118       7.50274382       0.28289971       0.77140916       3.04515003       0.63666095 
O       1.23241106       8.94868892       0.89024325      -0.25623638       1.99489600       1.59405021 
O       1.14772433       6.44790838       1.35879158       0.85555695      -1.28731741       0.45120785 
O       3.80894794       0.80231053       6.30107701       1.00889923       2.68578880       0.24746255 
O       0.15692926       1.85475727       4.65393534       2.10510826       2.00677448      -3.24165800 
O       3.53857387       3.68130227       1.33370274       0.84335889      -0.14952735       1.83335903 
O       1.16981743       1.38636949       9.48172568       0.86014295      -1.32108276      -1.27788061 
O       3.27997081       3.99667954       4.39418111      -0.77474716      -0.21179450      -1.71248170 
O       6.21741440       3.97160274       1.22411807      -0.43131114      -0.00008580      -1.98667676 
O       2.72145115       0.84342375       4.25971294       0.91262895       1.44853562       0.05977253 
O       0.60898317       4.28788063       3.60480262       1.13442931      -1.91812402       0.40793237 
O       1.79325254       1.23566103       1.80370702      -1.96205188       3.80845603      -2.35840411 
O       1.15158814       6.54509197       3.81218556      -1.28395566      -1.46429181       1.70649084 
O       4.45261548       0.80073547       1.00155443      -0.35740636       0.65012708       1.17178100 
O       8.86413113       1.50227146       6.65464461      -0.89589202      -5.25889055       1.12622561 
O       1.13570097       9.33877267       6.08140194      -2.17057639       0.72188899       0.69639797 
O       6.11294016       0.93903469       3.53071825      -1.35282089      -1.03596022       1.04605509 
O       6.97384142       8.88782953       9.25418903      -2.88695076       1.74581037      -1.52850234 
O       0.96464286       1.27087812       6.64639494       2.91961539      -1.23359711       2.02457786 
O       3.50832728       3.98336748       9.38602442       1.32444357      -0.13230207      -0.62669554 
O       1.57999137       9.06393434       8.84649725      -0.54514003       0.62320785      -0.86609138 
O       0.95544652       3.65906264       1.17108531       0.92317811       0.28587130      -0.87096765 
O       3.52555883       8.75106215       6.32978224       1.74468667       0.64386751      -0.44338801 
O       9.20824115       9.54102037       8.82659515       2.49627081      -1.41588823       0.40853016 
O       2.06591621       6.23090324       9.41453801      -0.69410037       0.29582436      -0.03914702 
O       1.76414813       8.80916662       3.70046976      -2.70658961       3.44190658      -5.14368449 
O       3.51239675       6.30640243       4.30429456       1.62695584       0.89035320      -0.44502567 
O       3.93501175       8.83097494       0.97539029       0.16394180      -1.02676476      -1.15525898 
O       4.30375764       9.42117547       3.32555090       0.89944152      -0.85810815       1.11758664 
O       0.98678683       4.00065942       9.07575915       0.99337960      -2.33144920      -0.16375770 
O       8.90019148       3.54299280       1.33668477       1.47887600       1.16173973       0.77734480 
O       6.27521681       0.83221707       6.15216277       1.33515937       0.04678196       1.06752553 
O       6.09768201       4.23246911       8.98886981      -1.00760250      -2.26751515      -0.37932990 
O       3.47358620       3.27050560       6.75541905       0.57280896      -0.32052643       2.22746795 
O       1.09026374       3.89689825       6.84250819      -0.23675657       1.61007000      -3.74211893 
O       8.64158465       4.10005211       9.02403321       1.40962418       0.27245004       0.41777237 
O       8.88031061       3.55548117       6.41351414      -0.60084547       4.10455494      -0.33103626 
O       6.12966913       3.25644635       6.29840855      -0.60360669       2.27411622       1.31308462 
O       6.51437513       1.33293619       9.09647564       0.67729579      -1.03146428      -0.59337712 
O       7.16856319       1.61463261       1.44363238       0.75050881      -2.45412018      -0.66571660 
O       9.68239654       0.89237448       1.52714773       0.36645498      -1.60756300      -0.62226772 
O       6.52980598       9.16785135       1.36523436      -2.00245299       0.51646049      -1.98798678 
O       8.41965307       9.57458233       6.05474893       0.89931558      -1.00655489       2.08018904 
O       1.74820392       6.67875309       6.79365176       0.21703519      -0.94966134       1.19833252 
O      10.12530373       7.14797157       5.91689578      -3.49695891       0.76039070      -2.81966427 
O       9.82718155       6.66648890       8.79053385       1.82004816       0.46259954       1.04609216 
O       7.83965174       5.96159200       6.00367450       0.69821026       2.73999731      -3.53168268 
O       6.23217122       8.58354497       6.37374572       0.01079923       0.30927319      -0.73330320 
O       7.49112676       6.46136812       8.45877677      -2.66648611       0.92164701      -0.11107884 
O       4.83857586       6.77237785       9.42783197      -1.93243041      -0.72054150       1.61315917 
O       6.29197927       6.63751280       1.15382780       0.64167948      -1.37212098      -1.23093790 
O       9.16728084       6.20853864       1.11232534      -1.89864733      -1.54797905      -2.21990346 
O       8.47844642       1.29820076       3.86510612       1.46163618      -1.81612633      -0.69184926 
O       9.30127311       9.23847015       3.65178058       1.18340744       2.37960064       1.54517535 
O       9.20579290       8.61510464       1.14914124      -0.76464637       1.80174884      -1.94132384 
O       5.61765540       3.32544750       3.68518429       1.23202392       1.50521058       1.34936034 
O       6.14478232       6.29564589       3.71866943      -0.46801175      -1.51111527       0.19067337 
O       6.54787179       8.60956750       3.73670521       1.80658211       1.37534548       1.29694109 
O       9.26294285       1.60930730       9.64213945      -0.07624698      -1.71324115      -2.50473243 
O       8.91925053       7.03116699       3.47033728      -1.84773253      -4.46974003       3.45771612 
O       8.20583781       4.27241849       3.96758278      -0.56221382       0.02038546      -0.48612274 
O       3.75575861       6.21670552       1.51684564      -0.38030411       0.82831636       0.25752251 
O       4.36950296       9.04232111       8.69805137      -2.75420142       3.13215987       0.10207291 
O       4.04258911       1.29141918       9.20617638      -1.86902384      -0.35006306      -2.55030424 
O       4.94373615       5.69578966       6.82862792       1.09057317       1.20849596       0.55974500 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01695000874899797 -0.013972784966005665 -0.00201793957546681 -0.013972784966005665 -0.03586043282875496 -0.004271841943731851 -0.00201793957546681 -0.004271841943731851 -0.020300026406427012" pbc="T T T" energy=-929.26416447 free_energy=-929.26435251 config_type=crystal 
Hf       0.04766925      10.25712614      10.34532648      -1.75989565      -0.91747092      -0.32308085 
Hf       5.37819607       2.20158725       1.93883152       1.21142227       0.92472748       2.96578023 
Hf      10.31895333       2.46759316       7.48426313      -4.02966924       3.26855561       2.63177709 
Hf       9.96743837       0.17515259       5.16182779      -2.02816230      -0.35388941      -0.24023944 
Hf       7.24857017       4.63436366       7.27876034       3.91509589       4.81431493       0.98577674 
Hf       7.66658716       7.79394082       5.38762360       2.73221716       1.08702071      -1.07974446 
Hf       7.95213880       2.71367655      10.32394718      -0.29503299      -2.48872819       2.01236431 
Hf       7.73432127      10.09427542       2.74705232      -1.64081024       0.73210789      -4.05414807 
Hf       2.06563707       2.84121965       5.38704692       2.68279989      -2.84694469      -2.08445585 
Hf       5.16171497       2.61964758       8.04999662      -6.06899779      -1.70389044       4.91311429 
Hf       4.96535692      10.43071843       5.11301187      -0.15976795      -2.38607807       0.41568991 
Hf       2.41287126       2.59347328       0.03697520       0.96649690      -0.30066113      -1.68361389 
Hf       2.76629170      10.27926195       2.52219783       0.24303349      -0.34209346       0.83643212 
Hf       0.00589634       2.51084818       2.51265381      -2.18282203      -1.25177573      -2.65531437 
Hf       2.64179897       0.23229438       7.57499043       1.87809157      -4.95330867       2.73319363 
Hf       7.71418022      10.45200731       7.88419673       1.88239914      -1.42443223      -0.59947882 
Hf       2.31823326       5.06292848       7.99658247       0.65244856      -3.51556745      -4.70254561 
Hf       5.19758023       4.99374261       4.89526750      -3.82794805       4.32866424       1.92806605 
Hf      10.16368150       5.61001141       4.93874911      -5.00543830      -4.53604040       1.75777585 
Hf       2.33963078       7.70434775       5.12417480       2.47280497       1.58766131      -0.10184673 
Hf       4.89603498       5.17305342       0.09696128       1.52318311      -1.10240557       0.82698577 
Hf       5.16699025       7.80645160       2.36972498       2.54580531       2.61705849       0.60594969 
Hf       5.46285266       7.84870270       7.99521862      -0.54155628      -3.57710866      -1.89842784 
Hf       8.42405881       7.59405692      10.03004142      -2.13228767      -0.43454885      -2.92714726 
Hf       7.31400778       5.25122620       2.17462465       4.31602338      -0.38530006       1.78439548 
Hf       2.39303614       4.98393191       2.69621767      -1.62514052       0.36392196      -0.48744820 
Hf      10.37219165       7.70961727       2.64889747      -0.49511528       2.06052269      -1.77853576 
Hf      10.17268976       4.94723835      10.20355668       2.34119920       1.71242300       1.45160623 
Hf       7.23555723       2.34027853       4.87761928       3.96703129       1.28009224      -2.14186129 
Hf       0.19905802       8.10753696       7.39140554      -1.13299928       1.59333140       2.41488918 
Hf       5.25233635       9.98977659      10.02288662       0.32039900       0.29229870       3.50351454 
Hf       2.42590796       7.50953670       0.19869673       0.45622557       2.95727926       0.94895124 
O       1.11734597       8.90656100       1.08173148       0.64411115       1.01987886      -1.43886037 
O       1.03407762       6.31775501       1.09088407      -0.48737518       0.38771757       2.24115016 
O       4.07262229       0.92709484       6.49304355      -0.23670725       2.42077948       1.04749269 
O       0.17296788       2.17695254       4.44466221       1.64069495      -3.47264884       2.96345881 
O       3.70197825       3.60900742       1.42755305       0.92804068       1.32724022       0.33365053 
O       1.16983951       1.24628684       9.78549426       1.57502314      -0.00383442      -0.59694867 
O       3.05967070       4.06262247       4.25427460       0.91621177      -1.52510491      -0.05980732 
O       6.38536300       3.84167732       0.98693943      -0.91997458       1.77117702       0.85584590 
O       2.76968338       0.88069849       4.21532527       0.20769336       0.55751706      -0.26292897 
O       0.42670289       4.13354123       3.48995627       2.49843800       3.21177569      -0.95352518 
O       1.92621002       1.78258644       1.80007891      -0.52431665      -2.29676371       1.55223790 
O       1.03504407       6.49217936       3.83295102       2.18816018       0.14486897      -0.12587938 
O       4.72261518       0.75750703       0.97022616      -3.25167469       1.43922953       0.79198539 
O       8.70394719       1.05169925       6.64580162       4.06551239       3.68000779      -0.60880478 
O       0.79539384       9.35128752       5.80186324       2.69646174      -1.13708941      -0.13706827 
O       5.77609818       0.95359736       3.50909812       0.88081299       0.25868541       0.22314433 
O       6.81500605       8.96003229       9.08896352      -1.01439202       0.02971450      -0.05498984 
O       1.03602360       1.05755205       6.90922854      -0.62220755       2.24750082      -1.89232193 
O       3.65923722       4.36259370       9.34193964      -0.05125388      -3.44242845       0.07745905 
O       1.35788709       9.15755000       8.75630059       1.24905603       0.74806040       0.36447007 
O       1.04441310       3.73899783       0.70218887      -1.16271839       1.31314656       2.65808953 
O       3.50106688       8.97091986       6.40392930      -1.09746796      -0.86874764      -1.30417004 
O       9.27834114       9.28527165       8.60731392      -0.31626325      -0.51111524       1.93446783 
O       2.06567056       6.18324288       9.39785248      -1.09625498       1.67605991       1.26214741 
O       1.68137399       8.74035732       3.25787289      -0.38510115      -0.03479847       2.08990248 
O       3.67199751       6.24463562       4.43080695      -2.00467245       2.58941964       0.43866111 
O       4.03638475       8.95921530       1.00830115      -2.28747976      -1.88071066       0.46569687 
O       4.18708725       9.31225446       3.66283330      -0.70310954      -2.27712153      -2.24356702 
O       0.95235198       3.83959612       8.83154985      -0.10918570      -1.20452014      -0.82858755 
O       8.96338105       3.71319153       1.31726442       1.06437062      -1.09059163      -0.37372157 
O       6.50192559       0.94741162       5.92642065      -0.29153136      -2.24235052       2.56950173 
O       6.25287252       4.19579837       9.07097652      -0.77329680      -2.18593663      -0.88363354 
O       3.41947196       3.34486941       6.95191703      -0.19361273       0.38658558       0.20149896 
O       1.10318667       4.05917668       6.45151650      -2.69507346       0.71330082      -0.33138694 
O       8.86088263       4.06307168       9.10795633      -1.27170230      -1.45988943      -1.70795409 
O       8.92087143       3.68280166       6.45701146      -0.11103915      -1.60320264       1.76570066 
O       5.96078600       3.17499106       6.55697801       4.05332319       3.19521160      -3.68999594 
O       6.32813465       1.24979804       9.39836721       1.38452748       0.66799625      -2.81411813 
O       7.18768734       1.66787982       1.53567350      -0.23820701      -0.29357649      -0.78143533 
O       9.40931569       0.86059502       1.43958803       2.91536062      -0.79284269      -0.35971295 
O       6.55799669       9.26355795       1.18064942      -1.26215095       0.70815774       0.61211775 
O       8.76448735       9.26929395       6.25171967      -1.65632490       0.67236297       1.00654743 
O       1.66563021       6.58805760       6.75912701       0.35266868       1.32071083      -1.23471153 
O       9.82478574       7.32579209       5.87223368       1.36332223      -1.09438801      -1.56868845 
O      10.09787213       6.87878226       8.86496507      -1.60840142      -2.00890047       2.64378471 
O       8.20449311       5.97472394       5.88817245      -4.15082166      -2.52853739       2.08858503 
O       6.19265440       8.95816606       6.36560689      -0.25453091      -1.01353336       1.52516612 
O       7.25150981       6.51935056       8.40003449      -0.72584394       0.87739918      -0.15074043 
O       4.57523674       6.71612098       9.55678173      -0.13483785       1.58954829      -0.29378451 
O       6.51230785       6.79031440       1.07435334      -1.94412661      -1.48983053       0.30834886 
O       8.66533560       5.92344291       0.68920346       0.69296488       1.02073083      -0.14449007 
O       8.59390755       1.11334684       3.75898984      -0.90272245       1.12800504       2.01739542 
O       9.12766638       9.16754532       3.76199898       3.10128153      -0.96626001       0.24879135 
O       9.01604634       8.56562997       1.10890718       1.54714021       0.51798145       1.12535008 
O       5.79494770       3.42207438       4.18504184      -1.17291590      -2.97092385      -4.39947198 
O       6.03835143       6.17241633       3.54582213       0.71022689      -0.68134525      -0.71112383 
O       6.64505203       8.64405415       3.85052984      -0.44067527       0.40719440      -1.25885446 
O       9.31997768       1.12155234       9.34881928      -3.60550436       3.32143476      -2.28460028 
O       8.89579881       6.55791390       3.71955561       0.42523441       0.98792979      -3.71648973 
O       8.20636803       4.09192678       4.12922225      -0.57314118      -0.18063784      -1.65362197 
O       3.70233619       6.35095976       2.02876674       0.03576894       0.39349354      -3.54499403 
O       4.00167035       9.00283444       8.87314012       0.86579315       0.80138787      -0.69708358 
O       3.70747479       1.33890308       8.93731153      -0.44218671       0.34748792       0.87404680 
O       5.14925307       5.95277967       6.67172493       1.60365643       0.16354981       0.91210241 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.037034096303547814 -0.010064645876525325 0.014953957478194155 -0.010064645876525325 -0.03563650335347597 -0.00625960842880875 0.014953957478194155 -0.00625960842880875 -0.03636384180971816" pbc="T T T" energy=-930.61550174 free_energy=-930.61550443 config_type=crystal 
Hf       0.07139885      10.36827384      10.32237348       0.36485668      -0.70816308       1.38662082 
Hf       5.48437870       2.18431583       2.01345344      -2.16418458      -0.43123285       0.00571089 
Hf      10.24959362       2.61601193       7.53402280      -2.19539749       0.41533340       3.50030298 
Hf      10.03050423       0.08260448       5.29654830      -0.59087725       0.82904838      -0.85791639 
Hf       7.23373988       4.77729406       7.19108624       2.15492951      -3.79431266       8.55699809 
Hf       7.68750658       7.80483719       5.27993405       0.78467357       2.17263821      -2.84773361 
Hf       7.89652560       2.67679355      10.46237858      -2.78908980       3.63207450      -1.66534757 
Hf       7.66757664      10.08220517       2.60772668       2.56884811       0.93229538       0.67411812 
Hf       2.08398170       2.74684372       5.37559365       1.10682572      -1.31006243      -1.32009370 
Hf       5.16443786       2.60646686       8.04241522      -2.92320209       0.17292537      -0.82890894 
Hf       4.90031053      10.35078314       5.00222473       0.84252126      -1.38046770       0.81466422 
Hf       2.36354762       2.56074307       0.02490767       1.17815167       0.77535328       1.49508597 
Hf       2.66613488      10.25991559       2.65979194       0.93800873       0.09587090      -1.78656035 
Hf      10.44807244       2.36657392       2.45787247      -0.90649231       0.82490741       2.48900748 
Hf       2.65325800       0.31474783       7.58711814      -1.54718057      -3.33541827       2.57356891 
Hf       7.75891192       0.06793307       8.00927609       0.87744970       1.02922932      -4.04624726 
Hf       2.38386827       5.04446820       8.01860524       1.79025141      -3.63665639      -3.84035197 
Hf       5.10346429       5.07537374       4.98833975      -3.77488742      -1.21764614      -1.57636283 
Hf      10.11979725       5.55882615       4.87817923      -2.61658169      -3.40299475      -2.62885834 
Hf       2.23577468       7.80013629       5.12439690       3.31510899      -1.74193845       1.57774496 
Hf       4.91570139       5.30874865       0.06153581       0.79708985      -4.62352610       0.44655472 
Hf       5.17675825       7.82136719       2.37872863       0.75435967       0.04046482      -0.34693039 
Hf       5.38592934       7.69924987       7.89049414       0.22924545      -1.67898848      -2.77604311 
Hf       8.36374953       7.56926751       9.86300987       0.98942935      -0.23968612       2.72051071 
Hf       7.23226111       5.20161934       2.34266734       4.77992221       0.66498687       1.37203743 
Hf       2.42187418       4.95100681       2.60345909      -0.55857193       0.18077348       0.81721838 
Hf       0.00033241       7.73692086       2.64364615      -0.68549467       1.96229226      -3.69385887 
Hf      10.20346960       4.96434975      10.11135961      -3.32056348       1.67238926       3.03149134 
Hf       7.27768776       2.38849726       4.83438551      -0.17896850       0.69936333      -0.37939683 
Hf       0.28877073       7.98919270       7.38776267       3.27948027       2.99286148       9.63588044 
Hf       5.34100631       9.93081797      10.04847104      -2.12994127       3.04168220       4.86132539 
Hf       2.43097789       7.51215116       0.30612065      -0.45135074       1.85212664      -0.88620260 
O       1.25539149       9.01936842       0.88554769      -0.09091301       0.90686925       1.57479044 
O       1.17008107       6.43454064       1.45583963       1.55434009      -0.57913130      -0.43527331 
O       3.80937936       0.87273790       6.23228959      -0.10415511       1.21789630       2.01304848 
O       0.22110852       1.80668675       4.65203133       1.18473539       2.07986960      -3.68986138 
O       3.53148940       3.70420064       1.35906224       0.55736766      -0.48733073       1.55367948 
O       1.23675380       1.40931747       9.38145477      -0.33136344      -1.91763293      -1.17546951 
O       3.30380842       3.95161523       4.38267164      -0.15647091       0.84455306      -1.51471651 
O       6.16359552       4.03159092       1.23593461       0.15425020      -1.41023908      -1.99694292 
O       2.73025113       0.88260544       4.29035505       0.93692333       0.57420979      -1.48814107 
O       0.70354634       4.28205211       3.61387347      -0.18074288      -1.83897386       1.54380634 
O       1.71885921       1.18396951       1.76161699      -0.96477943       3.25346112      -1.93198689 
O       1.17560419       6.49742052       3.85245489      -2.13527203       0.13306736       1.59087905 
O       4.36640413       0.84569199       1.04308881      -0.02347698       0.23713912       1.12095854 
O       8.90543483       1.51123566       6.69090361      -1.18623467      -5.04833763       0.67210675 
O       1.17833723       9.33543866       6.16008673      -2.18878433       0.96050845       0.24291248 
O       6.16562031       0.90979641       3.57355379      -1.80136977      -0.69427011       0.37993185 
O       6.91651009       8.91335837       9.25334147      -1.02213272       1.04969054      -1.53171668 
O       1.03306617       1.28376316       6.60389139       1.80008070      -0.71209656       3.11429335 
O       3.51378980       3.87208519       9.39442700       1.08265670       0.73190452      -1.07138371 
O       1.61769512       9.05599656       8.84237870      -0.50482303       0.64893574      -0.68000276 
O       0.93128248       3.65881564       1.28813332       1.84285383       0.64689110      -2.29633224 
O       3.55664188       8.70544218       6.29566410       1.93251589       0.82118237      -0.63585586 
O       9.26564512       9.55364846       8.89222628       1.10924492      -1.26366779      -0.28072976 
O       2.03857818       6.20663494       9.36205892      -0.60244780       2.06834170       2.37960206 
O       1.72228459       8.91627091       3.68077310      -2.62809127       0.42429764      -2.33812485 
O       3.49063731       6.37246361       4.26910625       2.27480152       0.22578664      -0.47489026 
O       3.89777521       8.76013624       0.94289703       0.95419891      -0.16064113      -0.73660688 
O       4.35343117       9.40106341       3.25603189      -0.25091029       0.14706297       1.63979758 
O       1.01312586       3.97778062       9.12082891       0.75019636      -2.11800652      -0.16575724 
O       8.92838888       3.52315025       1.35370427       0.92851145       1.19299119       0.59435137 
O       6.25764731       0.79389267       6.24035003       1.17509820       0.39998419       0.52391063 
O       6.03399613       4.17485121       8.95590808      -0.27556532      -1.63918760      -0.15413562 
O       3.50019860       3.24321529       6.76480827       0.33796548       0.20936622       2.05930905 
O       1.05148846       3.88578084       6.83734406       0.57887889       2.32625706      -3.47704097 
O       8.61254503       4.09930723       9.00417851       1.74539389       0.81098831       0.56886664 
O       8.84885832       3.60803783       6.41566380       0.06640606       3.38496577      -0.67464834 
O       6.21345064       3.35903238       6.21214979      -2.26965402       1.52664079       1.57641536 
O       6.59052051       1.32941557       8.99436697      -0.41173828      -0.41046886       0.50714930 
O       7.21718308       1.54551508       1.38413172      -1.01669298      -2.78473073       0.78806201 
O       9.77791202       0.86875666       1.54255492      -1.13468101      -2.25822322      -1.46112842 
O       6.46652294       9.16663047       1.36350420      -1.30899182       0.38980899      -1.68823518 
O       8.36373802       9.62131517       6.07012063       1.13688554      -1.37171968       1.59834804 
O       1.77010843       6.69024414       6.82425524       0.28648998      -0.94881491       0.54757004 
O      10.14358409       7.22197681       5.94088703      -4.65220190      -2.26156501      -6.13430928 
O       9.79246224       6.61894493       8.81373376       2.20085309       0.68517590       0.72905783 
O       7.72999580       5.95345181       6.00063354       1.69355204       4.98676354      -5.59248231 
O       6.22282396       8.50284858       6.38821713       0.87782478       0.63737264      -2.04914188 
O       7.48345472       6.46883638       8.46482686      -2.80605615       1.11258013      -0.09216527 
O       4.85667035       6.78429958       9.41786951      -2.09470585      -0.43850236       1.77782561 
O       6.24686189       6.54770224       1.14168889       1.08071927       0.19148623      -0.78709974 
O       9.23372426       6.24437575       1.15915457      -1.88228469      -1.56192689      -2.51755105 
O       8.46060187       1.31222840       3.89495593       2.64956555      -2.28095829      -1.35967185 
O       9.39868203       9.30100989       3.67116743       0.36361548       1.64545104       1.06625237 
O       9.23955403       8.66463342       1.10996228      -1.00526885       1.58948252      -1.35429947 
O       5.60142484       3.31362770       3.56907530       1.51114976       2.26269592       3.21675487 
O       6.16567851       6.27485238       3.75659245      -0.78759168      -0.81748325       0.01760800 
O       6.55677308       8.63897135       3.72846925       2.04418887       1.01632503       1.30578620 
O       9.17234093       1.73825737       9.63207484       3.66264873      -4.38294121      -3.51992530 
O       8.88979864       7.03199068       3.46963709      -0.93552522      -3.51948488       3.26508579 
O       8.17920238       4.31367541       3.90604435       0.21485286      -0.53790299       0.49846435 
O       3.77116098       6.20716296       1.37533498      -1.54552136       1.22315323       1.95182986 
O       4.38099370       9.13379800       8.66336283      -1.71705614       1.46809887      -0.66321014 
O       4.05731924       1.26613452       9.20873390      -1.28798452      -0.16157141      -2.36058646 
O       4.93793369       5.67172180       6.90273761       0.67253324       1.20302191      -0.53516250 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03566712344826646 0.0019630868464611166 0.010399878036967047 0.0019630868464611166 -0.014984520756527071 -0.007636933338779126 0.010399878036967047 -0.007636933338779126 -0.025175613940652503" pbc="T T T" energy=-925.41958121 free_energy=-925.43024102 config_type=crystal 
Hf       0.10619164      10.45238326      10.32819802       1.99294830      -1.43562152      -0.97247021 
Hf       5.52165198       2.15801018       2.09932526      -3.98467698       0.64123279       0.87269901 
Hf      10.11921470       2.79128897       7.65752050       1.31395728      -0.23468246      -1.15241947 
Hf      10.07232675       0.01827053       5.41327228       0.03107287       1.59584574       0.30773569 
Hf       7.28837585       4.90629259       7.24567480      -0.38119183       2.01478689       1.07973147 
Hf       7.74638838       7.87925731       5.10438280       4.14936344       1.70503674       1.01177449 
Hf       7.81001921       2.68107527       0.10236844       0.63176023       0.16650584      -4.00094023 
Hf       7.65406833      10.08918319       2.47163709       5.57298533      -0.53651195       1.51507131 
Hf       2.13659707       2.62908076       5.32746881       1.78856472       0.90649471      -1.29350668 
Hf       5.07134613       2.56386702       8.03608044      -2.17893460      -3.90467008      -1.69482354 
Hf       4.85084109      10.23992421       4.92356245      -0.02386179       1.23443590       6.26321594 
Hf       2.33813526       2.53250233       0.03431877       1.76597592      -0.05259017       0.67037825 
Hf       2.58830832      10.25350850       2.73693924      -0.47492568       1.57587086      -4.59005825 
Hf      10.40223456       2.23260541       2.44749607       1.18566606       0.43924824       1.00318914 
Hf       2.62304627       0.30352263       7.68960349       3.99065903      -4.24911685       0.77255891 
Hf       7.83782529       0.15154744       8.03649961      -0.54105801      -1.35956504      -2.38975497 
Hf       2.48304137       4.95320775       7.96511825      -0.03605179      -2.39753016      -0.64249324 
Hf       4.92047848       5.14005956       5.04233414      -2.05421255       0.08797980      -1.24645369 
Hf      10.00053427       5.39586825       4.75495730      -1.61135924      -2.03812596       1.61852051 
Hf       2.21294025       7.86188352       5.16112604       1.42188531      -0.90000514      -0.99245996 
Hf       4.94550672       5.33207885       0.02993019      -0.89855786      -2.76257617      -1.21733110 
Hf       5.21106980       7.83870194       2.38511280      -0.67951904      -2.64060476       0.49685159 
Hf       5.32222681       7.51046296       7.72188355      -0.88906960       4.71991140      -0.14084393 
Hf       8.32209709       7.54482203       9.75402805       0.80507904       2.42400164       2.21760118 
Hf       7.25106908       5.17464732       2.53215726       0.57813012       0.25057611       0.12981614 
Hf       2.43597288       4.91833908       2.54013125       0.09202601      -1.60263825       3.60887450 
Hf       0.06623032       7.81421187       2.55534377      -2.68453645       0.45228338       0.18239008 
Hf      10.18619252       5.01529974      10.09294684       1.47378888      -0.33495184       3.17227109 
Hf       7.33073329       2.44509292       4.77680131      -0.32054776       0.31110819      -0.02520984 
Hf       0.42635091       7.91436220       7.54583327      -0.08685453       0.20074834       3.10059226 
Hf       5.37344913       9.94073825      10.17171588      -5.26321267       2.15991807      -4.55272144 
Hf       2.42346630       7.58069127       0.40312600      -2.38809626       2.10996801      -4.44159410 
O       1.41297719       9.32666694       1.08547598      -0.26541967      -2.52921735       0.17325007 
O       1.43026317       6.46687962       1.84791133      -2.55922330       3.42366813      -1.25190533 
O       3.84410496       1.20621197       6.14927598       0.42867987      -2.05976470      -0.00502468 
O       0.59618908       1.71307297       4.23177007      -0.79885609      -1.79349400       0.92712254 
O       3.58900347       3.69426267       1.58927300       1.64515118      -1.16783263      -1.70586041 
O       1.49658884       1.30285476       8.82464100      -2.62492628       1.04041873       6.12878049 
O       3.49528263       3.92446800       4.21309084       0.01092645       1.37541527       1.28945311 
O       6.09714604       3.92685283       1.08668409       3.39956016      -2.99535173      -0.35346577 
O       2.92126923       1.02109378       4.07292550       1.14773133       0.14342200       0.28009975 
O       1.03880876       4.00167862       3.95622234      -1.58946500       0.69952802      -0.67861087 
O       1.46071730       1.27012225       1.36908488       1.09099313       0.62426095       0.23125181 
O       1.04378157       6.43442174       4.22554875       1.37070284       1.79916568      -1.55277425 
O       3.97285376       1.11189340       1.40557748       2.18180028      -0.39022097      -0.30157429 
O       9.09498609       1.17928673       6.91366998       2.18374913       3.47104750      -2.15513345 
O       1.15060442       9.40641258       6.48723282      -0.43829307      -0.23674390      -2.82882944 
O       6.20117609       0.79577711       3.76016143      -0.16512677       2.97139877      -1.79278916 
O       6.74791593       9.04946963       9.04064244       1.79769386      -0.32390357       0.80842447 
O       1.37295099       1.38711395       6.68689694      -3.93356213       2.28248591      -3.03912482 
O       3.65883605       3.51740974       9.31909244      -0.32290907       3.51250289       1.49792337 
O       1.71396710       9.03701192       8.75988285      -0.94325638      -0.86909550       1.11399423 
O       1.08357919       3.78205065       1.47784366      -0.41026211      -0.01866048      -2.16879500 
O       3.91399698       8.57839497       5.94992083      -1.50983583       1.24212583      -1.06163629 
O       9.49468514       9.36030112       9.00935405      -1.44012823      -1.50039384      -2.48022824 
O       1.80370828       6.29469755       9.42806704      -0.14681323      -1.65931867       0.06760598 
O       1.19556177       9.14489741       3.63209114       6.12052964      -2.61339621       1.54570617 
O       3.66920900       6.74740979       4.01167709      -0.41471113       0.10522048      -0.17590333 
O       4.03368405       8.58130468       0.77429994       0.54467263       2.02058176       0.36350489 
O       4.38789239       9.44690945       3.16271054      -1.66605143      -0.17532363       0.57937758 
O       1.14482289       3.68681032       9.30800162      -1.90088534       1.60012109      -1.84615811 
O       9.04204711       3.51285109       1.40463071      -1.58835533      -0.58277295      -1.30685195 
O       6.27757338       0.68952456       6.65720747       0.36808708       1.22618414      -2.08208260 
O       5.95217797       3.98678292       8.90160745       3.24844868       2.99674927       0.83167258 
O       3.58320949       3.30459684       7.00230551      -2.85183254       3.46846939      -1.93037948 
O       0.93366061       4.14370119       6.48373178       0.82984656       0.11008043       2.05963967 
O       8.68404917       4.23068033       9.00620267       0.27580121      -0.55424973       0.59930640 
O       8.83252111       4.11986159       6.33603632       1.84890934      -2.18384731       0.68874441 
O       6.25652931       3.94220161       5.83889883       0.43626904      -3.66186085       2.10207995 
O       6.72010536       1.53341552       8.80126307       0.23455747       0.61754050       4.03407855 
O       7.23128022       0.93522101       1.15963235      -2.49587086       5.25379921      -2.38498788 
O       9.84429871       0.52263158       1.49914311      -3.53373931       3.38747176       2.19734246 
O       6.14218084       9.18081395       1.27136710       4.12232165      -0.57811302       2.36729906 
O       8.30716204       9.61838003       6.26552229       1.96550735      -1.65779264      -0.82910778 
O       1.90625788       6.69218593       6.93389309       0.18264543       0.48787391      -1.28939999 
O       9.79373440       7.39432017       5.58387783       1.40578353       0.01351811       4.26592254 
O       9.85232178       6.53405609       8.94377294      -0.83199146       2.28090049      -2.01337761 
O       7.29201924       6.14363219       5.62050189       0.94336910      -3.64097343       4.49679541 
O       6.25082596       8.20484269       6.18036374      -1.72921024       1.61071121       0.83065884 
O       7.09999859       6.64308752       8.46601812       0.85167345      -0.73052976      -0.12676471 
O       4.68230356       6.92445320       9.48676044      -1.10854191      -0.37014167       0.00189527 
O       6.26598426       6.36645392       1.08557708       1.34649846       1.89563381       0.61602463 
O       9.34781013       6.26262315       1.03978725      -1.20606440       0.01982601      -1.37653976 
O       8.67665019       1.19688993       3.88281482      -1.56722115       2.34042187      -0.14936401 
O       9.79611955       9.63578082       3.76106937      -5.87363474      -2.72912038      -2.14134713 
O       9.22710166       9.00334017       0.84608740      -1.84810253      -3.28853855       1.34535914 
O       5.79126203       3.58289540       3.53333825       2.00687863      -1.73281460      -0.47054326 
O       6.12220149       6.15145347       3.81491054      -0.86044460       1.21609805      -3.73427273 
O       6.79549004       8.87950105       3.71678594      -1.85936907      -1.06987467      -1.72550893 
O       9.26228924       1.82108688       9.17028998      -0.57987928      -1.48888734       3.90131851 
O       8.79323759       6.70008686       3.66625868       0.85701366      -0.31200469      -4.20360696 
O       8.25633922       4.25114814       3.87588076       1.75732074      -2.70923413       1.07554561 
O       3.56840348       6.27307250       1.10900766       2.70648483      -3.15464839       3.24147791 
O       4.35631272       9.58072117       8.38074727       1.18709868      -3.64878688       0.66546735 
O       4.03485616       1.15546157       9.03039739       0.07119230       1.40617397       1.96010836 
O       4.91737201       5.69712965       7.12678274      -1.77527373      -0.64231367      -1.88298106 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025238754313996296 -0.00359127214521891 0.007797361606588737 -0.00359127214521891 -0.01727929183374088 -0.012449723788904262 0.007797361606588737 -0.012449723788904262 -0.020861279777825602" pbc="T T T" energy=-931.11969349 free_energy=-931.11972077 config_type=crystal 
Hf       0.14541885       0.02559216      10.33105959      -1.82252769      -1.04428419      -0.14371798 
Hf       5.50904032       2.14155669       2.14958615      -2.77325844       0.90058161       0.68890366 
Hf      10.05001501       2.89386892       7.72756701       2.54589986       1.40925936      -1.89382624 
Hf      10.09633569      10.46207768       5.48165760      -0.99916250       0.04313141      -3.14023551 
Hf       7.32600686       4.99625848       7.30315873       0.08970806      -0.95793818       0.68846966 
Hf       7.81428764       7.94394774       5.00415700       1.06290395      -1.76479166       2.59231683 
Hf       7.75900800       2.69280579       0.13182137       2.26016607      -2.50344886      -6.17814693 
Hf       7.69450680      10.09450044       2.40072178       5.17286024       2.60493428      -0.99136425 
Hf       2.18555147       2.56490024       5.28573818       1.47166066       1.76729117      -2.16079167 
Hf       4.98839543       2.49884366       8.01126917       1.96993538       0.24887050      -0.64006070 
Hf       4.82389084      10.18547171       4.93110219       1.97715280       2.99119667       3.44662214 
Hf       2.33969567       2.51769862       0.04648856       3.66164513       3.70047695      -2.27526127 
Hf       2.54473753      10.27536444       2.73743691      -1.32048555       1.39664196      -2.03641040 
Hf      10.38168659       2.15940669       2.45657005      -1.94390450       1.52484330      -0.20782782 
Hf       2.63391144       0.26228475       7.76210578       1.33192661      -2.26860042      -0.57291381 
Hf       7.88996266       0.18338729       8.01999452      -1.20551844       0.07572835      -1.80584833 
Hf       2.54307864       4.87425273       7.92328882      -4.37179819       3.75892864       1.36232546 
Hf       4.79172957       5.17674004       5.06491246       3.23160358       2.70218089      -0.81226207 
Hf       9.91635033       5.28006435       4.69151141       2.15776363      -0.68285360       3.80889086 
Hf       2.21421242       7.89005079       5.17609773       1.42751187      -1.78931568      -1.08162545 
Hf       4.95860538       5.30817876      10.46405903       0.63743896      -0.53449880      -0.79476479 
Hf       5.22965181       7.82285967       2.39000450      -0.57036412      -1.64862771       1.17087271 
Hf       5.27310789       7.43644107       7.62077985      -0.79455952       5.69386138       1.05240342 
Hf       8.30482054       7.55126167       9.71378028       0.25385912       2.29351547       1.95528679 
Hf       7.27266001       5.16412910       2.63874107       2.26806336      -0.97483124      -0.58672930 
Hf       2.44509146       4.88703688       2.53096296       0.90702031      -0.82759686       2.12000609 
Hf       0.07684200       7.86817434       2.50032683      -5.19288695       2.58441165       2.79120053 
Hf      10.18309013       5.04490234      10.11155187       3.50915911       0.64271438       1.74456169 
Hf       7.35886968       2.47984458       4.74327901      -0.31921728      -0.24833847       0.91817842 
Hf       0.51122656       7.87322878       7.67656951      -1.55572195      -0.77089803       0.58108088 
Hf       5.34371277       9.97067431      10.21795367       0.00944020       0.92055975      -3.00987544 
Hf       2.39538130       7.63345818       0.41944730       2.84648217      -1.38267124      -4.15318566 
O       1.48281699       9.26857231       1.24791454      -2.11908052      -0.70905979      -1.67396607 
O       1.43470408       6.75620945       1.93774178       0.87616942      -1.95031353      -1.40673792 
O       3.90234004       1.20448347       6.18220589      -1.07970232      -0.39080473       1.52877774 
O       0.75121130       1.52682244       3.99571079       1.04348653      -2.82199328       1.93049686 
O       3.75835632       3.57764984       1.60304349       0.16872322       1.11720481      -0.52054076 
O       1.43928043       1.24884478       8.95500213      -0.27852521      -1.20180494       3.07290536 
O       3.61417228       4.06124920       4.18999329      -2.73631128      -1.13526655      -0.68817281 
O       6.37232630       3.53417827       0.95463916      -3.14051961       3.50534718       2.58143750 
O       3.15658289       1.09740671       3.88212751       0.78657554       2.31241374       3.68115520 
O       1.04339191       3.84535001       4.16374040      -1.11771880       1.74172578      -3.39382692 
O       1.44507797       1.38679808       1.17214344      -3.39168321      -3.84860256       2.83508333 
O       1.00046919       6.58130743       4.34513137      -0.17357181      -1.75656237      -2.12231368 
O       3.92759310       1.22390916       1.60146016       0.42638223      -2.44952134      -2.64466907 
O       9.35518074       1.20378569       6.88157339      -1.47514783       1.29911670      -1.37607850 
O       1.06637893       9.44061790       6.43371213       1.38710386      -0.32850760      -0.44545405 
O       6.15410645       0.97528008       3.71215077       0.33305116       0.80927489      -0.53281710 
O       6.86295779       9.08469258       8.93800460      -0.25453341       1.24776962       2.01307470 
O       1.23827109       1.61611410       6.60470158      -0.74194086      -1.03160926       1.13897810 
O       3.74634290       3.65673036       9.36055995       0.16771052       2.43714976       0.86532722 
O       1.68082159       8.96974953       8.79822819       0.82242127       1.13089831       2.27494388 
O       1.20812655       3.89044207       1.31315204      -0.84136680       0.17865070      -0.31830844 
O       4.02468762       8.62372272       5.63693142      -2.70209150       0.48701473       1.53364799 
O       9.46355740       9.07991455       8.81109156       0.34934863       1.82291120      -0.07493120 
O       1.64142608       6.26497354       9.55924819       0.26699156      -0.35129889       0.75162265 
O       1.25028670       8.95175373       3.80351159       2.71123908       1.77284802      -0.83205914 
O       3.79431190       6.96601595       3.84120833      -1.75021987      -0.88066264       0.87804999 
O       4.24037193       8.70865866       0.72974784      -3.90615495      -0.54335733       0.25714890 
O       4.21137930       9.50495708       3.21343351       1.02029257      -2.32815902      -1.23217409 
O       1.06441076       3.61846342       9.25901154      -0.37608320       0.67035359      -1.75785129 
O       8.97832532       3.48432724       1.32594603       2.46924217       0.94338669       1.72547160 
O       6.34197118       0.75504370       6.71561881       1.13133629       1.17792027      -0.50236238 
O       6.24333237       4.20576858       8.98784527      -1.42183087       0.27548177      -0.96547130 
O       3.42424016       3.62748371       7.01112904       2.43175911      -4.56621447      -4.15780477 
O       0.95297231       4.36446035       6.40497121       1.24367629      -0.85755698       3.32780964 
O       8.78560752       4.28911177       9.06446121      -0.64919611      -1.93269171      -1.51644596 
O       9.00686466       4.25853037       6.34055981      -0.55092458      -1.73709636       2.55924835 
O       6.19642726       3.96436829       5.79193563       0.23532796      -3.82964306       4.21053003 
O       6.68175542       1.80659276       9.09904666      -0.34933378      -2.17615473      -1.97224460 
O       6.98540573       0.92073244       0.90342177      -1.48173773       1.76803981       1.28130793 
O       9.50063004       0.54082770       1.58243386       1.95988912       2.71755837      -1.95327953 
O       6.29147469       9.15872880       1.37015798       1.29529337       0.24679524      -1.70326951 
O       8.48423622       9.44691719       6.32442030       0.17592405       1.40925952      -0.35965104 
O       2.00025472       6.73294320       6.87271333       0.47034717       0.51837021       0.31327033 
O       9.63865494       7.44741541       5.65513957       1.41046141      -1.77212093       2.35146939 
O       9.86480367       6.68237450       8.85799940      -1.40418758      -1.24097472      -1.02075347 
O       7.13330518       5.97949255       5.70913711       1.36104009       2.95493237      -0.79102294 
O       6.17250896       8.19067470       6.04658330       0.68518034       1.18028178       0.18310449 
O       6.88877319       6.70859840       8.45187117       2.28811357      -1.18537624       0.39949985 
O       4.44214069       7.00906510       9.52386836      -0.61743522      -2.47436052      -0.10430437 
O       6.45159437       6.50662973       1.11682580      -0.53938566      -1.58862579      -0.81828988 
O       9.26868963       6.25402694       0.79700113      -1.22629449       1.22876521       0.89394304 
O       8.74283478       1.28654832       3.83540482      -1.20938129       1.52873596       0.38155805 
O       9.55696363       9.57237867       3.62938971      -2.33140878      -2.64389743      -0.00892684 
O       9.04315422       8.95145712       0.80053588       0.21423697      -1.73295762       0.53656911 
O       6.11468268       3.69117117       3.61481480      -0.14706878      -1.61901027      -3.24530456 
O       5.98931508       6.19063851       3.54163774      -0.38205742       0.78204386       0.39386934 
O       6.81404254       8.92973955       3.59019442      -2.23198025      -2.24636852       1.67794600 
O       9.39457855       1.62204487       9.13301660      -1.13521679      -1.70336040       3.49642837 
O       8.83905756       6.45085420       3.47657932      -0.80869426       0.88031895      -2.05210888 
O       8.51674340       3.91878412       4.03912595       0.33954975       0.61642990      -2.25197825 
O       3.55479669       6.13223816       1.32167425       1.91440525       0.44239484      -0.77715434 
O       4.42589359       9.52366678       8.24827438      -0.60519751      -1.43988362       0.81447149 
O       4.01110867       1.20057812       9.05472565      -0.82914653       0.06885118       1.61055946 
O       4.75369121       5.69263557       7.06202292      -2.01527352      -0.68274341      -0.74707406 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013828826436711418 -0.017421693755625176 0.002485824607783467 -0.017421693755625176 -0.019366768162243305 -0.0009592371153391381 0.002485824607783467 -0.0009592371153391381 -0.013242155380725927" pbc="T T T" energy=-932.88372046 free_energy=-932.8837654 config_type=crystal 
Hf       0.17225063       0.05988393      10.33426894      -2.03601181      -5.47265379       1.41303418 
Hf       5.43422624       2.13578772       2.22053149      -5.93882814       0.87535358      -1.62478154 
Hf       9.98829081       3.06173599       7.80153782       3.98357724      -3.59123993      -3.01049294 
Hf      10.11912333      10.43886239       5.53630456       1.74088920       3.12766702      -1.37306892 
Hf       7.39099997       5.10649174       7.40141970       1.02070038      -2.43690174      -0.58488812 
Hf       7.93518314       8.01622313       4.89981192      -0.90161257      -2.23978002       5.06279131 
Hf       7.73641126       2.67673703       0.08585256      -0.60870951       0.62183018      -0.56928481 
Hf       7.82119607      10.13452319       2.28503709      -1.12201826      -0.88835968      -1.59828009 
Hf       2.27852272       2.49338637       5.19269858      -0.32390831       0.76758209      -0.78967495 
Hf       4.90212066       2.40523700       7.95634171       2.84316682       0.61921770      -2.62955510 
Hf       4.82183130      10.15809119       4.98380726       2.82137791       2.04498390      -0.81424290 
Hf       2.39013375       2.54030750       0.04801861       1.60999903       0.78588290       1.40267132 
Hf       2.46777025      10.34569824       2.71054003       2.12994911       4.18344677      -3.03988878 
Hf      10.32154874       2.07968868       2.48116782      -1.32933991       3.61213203       3.30556419 
Hf       2.67065701       0.16357038       7.86717607      -0.48734497      -1.75745359       1.39882161 
Hf       7.95421864       0.22836003       7.96912869      -0.26587852      -0.35123931      -0.76681612 
Hf       2.56875442       4.81221726       7.87551700      -0.04307962       2.61364220       0.17985828 
Hf       4.65033194       5.26539346       5.07897715       1.69648659      -0.55364883      -2.95328311 
Hf       9.82936292       5.10458773       4.65686829       4.77801388       4.25048692       3.34839531 
Hf       2.23641469       7.88658658       5.18788675      -4.20355393      -4.52030473      -3.17913948 
Hf       4.99209952       5.26862856      10.41268988       2.03705495       1.65777304       2.89547636 
Hf       5.24758198       7.78407633       2.40248649      -1.32990493       0.00030618      -2.23961911 
Hf       5.18945165       7.41151121       7.48793112      -0.52648813       4.04546006       1.71013652 
Hf       8.28002192       7.59823649       9.68514852      -0.54531227       1.95196476       0.74819387 
Hf       7.33572672       5.14366936       2.76784667      -0.19341760       1.83503092      -6.28973402 
Hf       2.47293500       4.83305515       2.54503969      -0.16173032       2.64852472      -2.16362852 
Hf       0.01723396       7.97990636       2.45893834       0.37859649      -2.22897512       0.74747985 
Hf      10.22675480       5.09901280      10.16976582       0.77329448       0.10881868       1.47703539 
Hf       7.39121987       2.52423466       4.71831587      -0.20238081      -1.21539528       3.94643836 
Hf       0.61528299       7.80091686       7.87682779      -1.96454383      -0.85380481      -0.12389369 
Hf       5.30219335      10.03019464      10.24619378      -0.19999994      -0.07573901       0.11154740 
Hf       2.39991075       7.68900430       0.37415095       2.45188787      -2.01049968      -2.74591589 
O       1.23682026       9.15732026       1.28157583      -0.92655391       0.75424542      -0.28602757 
O       1.54289308       6.80107324       1.86806368      -1.79765936      -1.15819263       0.53016257 
O       3.81609688       1.08073594       6.54260802       0.50382658      -1.42903709       0.52013082 
O       1.08043954       0.83435531       3.87933858      -1.89962537       2.60169427       0.68777696 
O       3.94714773       3.56558985       1.52962194      -2.70120881      -0.73383415       0.02083122 
O       1.45118541       1.03968761       9.46319307       2.68591136       1.86864171      -3.80708880 
O       3.40561649       4.10339773       4.07535397       1.39003454       0.15008057       1.52220551 
O       6.24955809       3.64462295       1.20265116       3.48652920       0.83918872      -2.94132349 
O       3.60085937       1.42026910       4.08658263      -0.00351785      -1.80672944      -0.36311318 
O       0.89595717       3.81331193       3.95305789       0.89552057      -1.32157508      -0.69556117 
O       1.08870836       1.15813862       1.26361510       2.76857696       1.95875603       1.03477082 
O       0.86969758       6.51037014       4.16321887      -0.39675981      -0.14262200      -0.19763596 
O       3.85912029       0.96488683       1.42367218      -0.21499929       0.21532762      -0.88238738 
O       9.35876395       1.42545007       6.68576272      -2.58661139      -0.68015198       0.56668118 
O       1.20824963       9.41799395       6.37450934       0.03506894       0.04274753       1.55327831 
O       6.21217303       1.20195756       3.72087634       0.88886576      -2.92608755       1.40301112 
O       6.96038639       9.35086490       9.10357748      -0.69969942       0.55072916       0.22304185 
O       1.06789035       1.81039963       6.62077861       2.30790608      -1.37827397       0.15577844 
O       3.79890207       4.09477181       9.44996840      -2.48764034      -4.40411827      -2.42489262 
O       1.74509934       9.04611971       9.19875281      -0.79261364      -0.69851196      -0.82056771 
O       1.29558274       4.03678581       1.01785920       0.42457311      -0.96955652       0.56232977 
O       3.78868203       8.73476408       5.54636006       2.20028210       2.00178755       3.31482442 
O       9.47219568       9.02464799       8.53021005       0.80023583       1.01266635       1.51483872 
O       1.43683615       6.17370472       9.81198536       0.12096781       0.70806101      -2.04738914 
O       1.55678937       9.06237916       3.70106968      -3.44303987      -3.76589720       1.47095055 
O       3.65791304       7.06142300       3.82697043      -0.62721281      -2.69269342       2.44057402 
O       3.98996234       8.82522868       0.71220837       0.86561000       0.05923544       0.01926806 
O       4.10380320       9.34930606       3.15604556       0.98259803       1.63763743       1.36726390 
O       0.99181102       3.59977958       8.96890606       2.43356458      -0.26130427       2.43947174 
O       9.22340249       3.56893621       1.39763573      -1.07210504      -0.38087669      -1.91972721 
O       6.58734810       1.02885949       6.70084640      -0.51623637      -0.83241977      -1.07483535 
O       6.40090687       4.52407429       9.03170106      -1.19320256      -1.77598055       0.18983696 
O       3.53398266       3.41594590       6.45745680       0.24604512       1.44100041       2.69510445 
O       1.13726116       4.54315815       6.77681029      -2.62306717      -1.13044079      -2.25578738 
O       8.84453735       4.06075645       8.98432968      -1.78971548      -0.31611667       3.00784132 
O       9.12338361       4.24482436       6.62930940      -2.11291218       1.85145075      -3.50691646 
O       6.12650279       3.49720328       6.32860668       0.98114167       1.90640680      -0.18578568 
O       6.49438522       1.86062148       9.03973449       1.37314097      -0.34441984      -0.18851412 
O       6.41045058       1.10383955       0.81547942       2.24431044       0.00733214       1.08959033 
O       9.22104090       0.91915948       1.39555055      -1.89105521      -1.69754803      -0.45333692 
O       6.52945494       9.10492019       1.15674410      -1.94509845       0.51517823       0.10861750 
O       8.69896517       9.46104300       6.31161449      -2.21653691       0.30791162      -1.16765066 
O       2.19622511       6.85560036       6.92008880      -1.07941966       0.64629639       1.30730294 
O       9.61336065       7.20725045       6.06816837      -0.18826732      -0.48451697      -1.43167709 
O       9.65856793       6.56609596       8.59705369      -0.06452163      -1.56345244       0.34437314 
O       7.06066985       6.13467218       5.65116367      -0.26992400      -1.50145791      -0.13986716 
O       6.13576129       8.37002863       5.94493347      -0.03163452       0.78853205       1.47822444 
O       6.84908777       6.72868753       8.44455603      -0.62675061       2.06413664      -0.85119385 
O       4.02503541       6.75392761       9.49452720       0.93434217       0.07119054      -1.63599391 
O       6.60677724       6.45649234       1.01764453      -1.32007053      -0.65639942       0.08915365 
O       9.01907380       6.36100229       0.54547657       1.58058677      -1.79139538       0.25308062 
O       8.75660400       1.45630810       3.79011925       1.37697874      -4.18696929      -0.16960326 
O       8.94031575       9.04852464       3.52504253       3.20273520       0.85298469       0.49692814 
O       8.88795555       8.69735840       0.89340593       2.23026497       2.27009066       1.66674709 
O       6.46395453       3.58251223       3.39685105      -2.07886897      -1.13887428       3.24021250 
O       5.80551260       6.17067685       3.33687711       0.59251309      -2.28534214       2.99433497 
O       6.51667801       8.76577187       3.62315468       0.59294116       1.44590281      -0.17851911 
O       9.32342022       1.13309541       9.50470652      -3.78658132       3.06280155      -3.07834964 
O       8.89833624       6.25704016       3.02368874       1.45319036       1.35020395       3.02032181 
O       8.95581211       3.62521893       3.95610920      -3.21018742       0.63491572      -0.68832703 
O       3.83742878       6.01691026       1.50044584      -0.16046676       1.39245715      -0.50132187 
O       4.40299836       9.24820278       8.18555473      -0.71973978       0.68668208       0.65033203 
O       3.82327900       1.27869124       9.30452192       0.40321276       0.02967577      -1.43206870 
O       4.25175214       5.70853478       6.91102873       1.66861927       1.20288862       0.07909957 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.020969298399339118 -0.01682832044231013 0.0012865613024428922 -0.01682832044231013 -0.04214629014264543 -0.0041975240199435574 0.0012865613024428922 -0.0041975240199435574 -0.04225655968952708" pbc="T T T" energy=-927.34787057 free_energy=-927.34797016 config_type=crystal 
Hf       0.08446213      10.42712141      10.36392660      -6.79297454      -1.46176226       2.48495596 
Hf       5.06732502       2.28873553       2.25536165       2.92309529       4.75932410       1.33417382 
Hf      10.09192262       2.54263602       7.74411219      -2.87889911      -0.23271948       1.30758382 
Hf      10.40141569      10.29796892       4.66946781      -4.61663843       2.07532177       3.21284050 
Hf       7.51547648       5.58202270       7.66852697      -5.79036017      -2.97893754       4.96356384 
Hf       7.85603815       7.50123125       5.29889064      -1.36985069       3.68036109      -2.57708667 
Hf       7.79863628       2.62487105       0.14443555      -1.62112173      -2.14424645      -2.90085816 
Hf       7.58085067      10.40797454       2.37165463      -0.46464501      -0.73039355      -2.56781611 
Hf       2.93392171       2.34111593       4.95408848       1.02729381       3.11166697       0.10333891 
Hf       5.28284669       3.16031933       7.76760242       2.32450565      -1.60020764       0.59376749 
Hf       5.36205311       0.00371718       5.35394798      -0.81372034      -0.17023295      -0.13974352 
Hf       2.15361919       2.08387568       9.79432574       2.27548898       6.78891386       2.93021053 
Hf       2.55540196      10.35632991       2.59045609       1.66971613      -0.64762563      -3.24412285 
Hf      10.41222633       2.73738186       2.29764656      -2.28750313      -1.48675297       0.99659728 
Hf       2.11257013      10.16346192       7.42171042       3.38836598       0.04179921       0.44277524 
Hf       7.65614210      10.20543839       7.82080494      -0.83081862      -1.42008895       3.09095431 
Hf       2.40814430       5.18803422       8.12584904       5.85728312      -1.83163044      -1.38491812 
Hf       5.30355971       5.08818154       4.98375608      -2.86882891      -3.47723942      -3.81595039 
Hf       0.35288897       4.63058536       4.82737273      -0.18707419       1.62055927       1.29437456 
Hf       2.13218473       7.76238084       4.92772737       3.17989576      -2.04918065      -2.41380981 
Hf       5.29202230       5.32576805       0.31886283      -1.99855809      -1.41336677      -3.85156775 
Hf       5.20903925       7.77035043       2.96724243      -0.15218458      -0.73593337      -2.03548359 
Hf       4.89176278       7.73998128       7.95495389       0.13108470       0.84736592       3.98110948 
Hf       7.74917657       7.90113334       0.02829443      -1.95048250      -0.46023170       0.12434226 
Hf       7.66089418       5.00101484       2.58403539       0.13120889      -0.90442453       0.10206622 
Hf       2.83416836       4.95723326       2.24817796      -1.97224675      -2.28236107      -1.33353776 
Hf      10.34133206       7.24048220       2.61938069      -0.58256261       0.15824936      -0.99119103 
Hf      10.32505157       5.01794245      10.22585722      -1.73959153       0.93615376       0.86694951 
Hf       7.94915865       2.36008896       5.23918955      -0.84929196       0.40104260      -0.48907179 
Hf      10.26231445       7.67006644       7.67563394      -4.71158012       0.37439412      -0.90776631 
Hf       5.01740208       0.51601506      10.14169662       2.27322904      -5.20158295      -1.65768058 
Hf       2.24893613       7.92460662      10.26934627       2.34280272      -1.49227634       1.03510304 
O       0.79443932       8.53123731       1.03143846       0.18105547       1.74608928       0.14481570 
O       1.55242308       6.04557415       0.71981175      -1.63027947      -1.21384454       0.53497636 
O       2.47540628       1.57881790       6.55154689      -2.16619249      -1.59097164       2.31789611 
O       1.24994634       0.81523786       3.67319641      -0.08972189       1.71577727      -0.31705269 
O       3.94675713       3.69271755       1.00856050       0.06456806       1.41054906      -1.08616600 
O       0.75777538       1.25751435       8.86305970      -0.25158793      -1.96080753      -1.01346398 
O       4.46260274       3.83096904       3.39145520      -2.47677922       1.21212395       2.76755745 
O       6.47209901       3.60946814       1.52911025       0.66819394       2.73923790      -0.66770184 
O       3.56232251       0.73879053       4.19101532       1.79683779      -0.31507994      -2.54330179 
O       1.48843441       3.42110605       3.81935585       0.99007553      -0.26991091      -1.30346242 
O       1.32465199       1.01989393       0.91714442       0.87495439      -2.59451674       0.94307638 
O       1.47949994       6.02185743       3.41433442       1.20510671      -0.62244803      -0.49914270 
O       3.84853153       1.18495846       1.48214203      -3.23776124      -3.50287314      -2.83039134 
O       9.46919732       3.34136648       6.05928728       4.94500329       3.61224768       0.22836707 
O       1.28441772       8.59599744       6.41364466      -1.96968198       1.21347824       1.84626895 
O       5.91336145       1.04413396       3.41388741       2.96363622      -2.88336373       2.64530299 
O       6.61514151       9.47821061       9.80753838      -1.48757974       1.11356099       0.24237258 
O       9.93608530       0.85816477       6.60123434       1.45346272      -0.57196722      -0.45978494 
O       3.48880562       3.50573951       8.79165049       0.42343104      -0.21088237      -0.85059537 
O       0.34824784       9.13267425       8.90961891       1.99595841      -0.99459299      -1.13663905 
O       1.26368166       3.21778243       0.93572067      -0.53205765       3.24536094       0.37324823 
O       3.46200723       9.73562795       5.84038304      -1.21646203      -1.78399351       1.38796961 
O       8.26237068       8.18040568       8.61339593       2.99943903       1.53121412      -1.31203569 
O       0.91560264       6.19239892       8.60021124      -2.47029248       4.13947954       0.24046822 
O       0.66910615       8.78182095       3.63243035       2.81682118       1.84279519      -0.10973713 
O       4.42325171       6.65692708       4.29043742      -3.17539995      -1.69509956       3.76602537 
O       3.58542298       9.27455552       0.43520616      -0.24799236       0.39209116       1.03445221 
O       3.48021967       8.71727998       3.07636931      -1.77382381       0.54100493       1.76532849 
O       0.99150216       3.92283140       8.94453268       0.31569042      -2.86941066      -1.55802192 
O       8.84928200       3.82236017       1.27802967       2.37390058       1.08999608       0.24243792 
O       7.30981261       0.66364070       6.09318123      -2.61539347      -1.10789961      -0.18297592 
O       6.25271668       4.33350258       9.19012950      -0.57506195      -1.67838156       1.28675570 
O       5.07317939       2.35289292       5.73252079      -1.59914522      -0.59086282       1.11378626 
O       2.23099466       4.32479272       6.28046184      -1.51755013       0.56204207      -1.16122109 
O       8.98951421       3.52954939       9.38734348       2.49278451      -1.30295135      -2.63857175 
O       8.70484111       6.28189331       6.48762698       4.82685512      -0.81877395      -1.85168373 
O       7.41877225       3.43181580       6.87419252      -1.36633900       1.03735616       1.60928987 
O       6.58534267       1.68417276       8.81413472      -4.15732379       0.11521711      -0.24313279 
O       6.43029596       1.28037242       0.87537936      -1.16179095      -0.95611725       1.35763582 
O       9.01829438       1.27114574       1.11065724       1.61545804       0.40585527       1.70471377 
O       6.34466319       8.91163836       1.97875652       1.65583843       2.62298746      -2.00381339 
O       9.01948774       8.82678940       6.30857228       0.47858239       0.59616535       0.19897714 
O       0.22240476       6.95914625       4.86613713      -0.98990976      -2.48297486       3.42406833 
O       6.32308858       7.45176296       6.77894267       3.62648335      -1.99740409      -2.43029012 
O       8.86194495       5.84734977       9.00300671       2.53220945       0.66715586       1.09093801 
O       5.33657157       4.88726347       6.78591640       0.22046007       0.20379475       4.53703658 
O       5.24477337       9.69619894       7.70508886       2.19049024       2.14607872      -1.97451952 
O       6.39789941       6.64400185       9.25724620      -2.06140059       0.95472505       0.73346915 
O       3.55370527       6.10900529       9.79245041       0.95530492       0.95970273      -1.68201854 
O       6.35794155       6.45862849       1.44843165       2.11147052      -0.33069475       1.62147481 
O       9.26312036       6.46558506       1.06424822      -0.63110888      -0.63917591       0.12756608 
O       9.61166460       2.06985767       4.09240718       0.17548611      -1.06545193      -1.40683867 
O       8.59100444      10.31063700       3.98659076       0.49463199      -0.37648108       0.07357741 
O       8.77744660       9.18902636       1.13676004       1.23115635       1.21196250      -0.53112594 
O       7.03363848       3.73046411       4.18042174       0.13683158      -1.82295094      -1.58075852 
O       6.80057913       5.83172164       4.23159989       3.45234244       5.35410663      -0.68806481 
O       6.19722719       8.62012015       4.51584545      -0.77834575       2.99535033       1.67310633 
O       8.67000834       0.81691423       9.10553926       2.75307346      -0.18494407      -0.06999831 
O       8.50460125       7.74525395       3.42229888       1.61097616      -2.03737276      -0.61612434 
O       9.52260959       4.39223764       3.31779105       1.25874613       2.57192142       1.47224506 
O       3.82942653       6.44508303       2.01358468       2.23370474       0.81373126      -2.37941501 
O       3.07022732       8.69341976       8.61619585      -2.16666995       0.81766123      -1.72455637 
O       3.36032799       0.86600207       8.99035287       1.23152270      -1.17846800      -0.55479351 
O       3.65863960       6.88858501       6.85252790      -4.03224990      -1.98541112      -1.65273454 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02486000859263069 -0.017280531253898574 -0.0005965471956036672 -0.017280531253898574 -0.045219096421357546 -0.004846291606803604 -0.0005965471956036672 -0.004846291606803604 -0.042906264332876726" pbc="T T T" energy=-927.58759506 free_energy=-927.58763564 config_type=crystal 
Hf       0.07880651      10.42817787      10.38052609      -5.91360357      -2.00584168       1.94515782 
Hf       5.07853003       2.26439932       2.24794069       1.11812864       4.49754857       1.33796172 
Hf      10.06561635       2.54491231       7.72713329      -3.29419937      -1.18530973       1.04201108 
Hf      10.42974811      10.28346004       4.66336769      -3.11988731       0.08513277       5.27464702 
Hf       7.49840213       5.61280725       7.67281507      -6.50756071      -2.70772735       2.44249002 
Hf       7.86952542       7.45686293       5.27206221      -1.05121712       5.47389614      -4.21665025 
Hf       7.81856057       2.63111550       0.18148014      -3.01282718      -3.50811604      -3.77344321 
Hf       7.59595737      10.42189867       2.37134556       0.36575435      -0.85893299      -1.14517972 
Hf       2.92181389       2.33411321       4.94980425       0.91728460       2.19803608       1.26371260 
Hf       5.29440127       3.15316558       7.76668621       1.72954875       0.04805101       0.69254680 
Hf       5.36637816       0.00266030       5.40070144      -0.77592530      -0.58239855      -0.29981362 
Hf       2.14180181       2.08171033       9.77425189       3.90761755       6.30364235       3.82578841 
Hf       2.56882151      10.38810436       2.56770697       2.20410948      -1.79145411      -2.89355067 
Hf      10.36099418       2.73922946       2.26052661      -3.03174057      -1.98731662       2.81813468 
Hf       2.11832675      10.16786003       7.44889826       2.80737714       0.02259289       1.33113729 
Hf       7.63318376      10.19940003       7.83803943       0.39450001      -1.17310229       2.63783670 
Hf       2.37825263       5.18857574       8.11938009       4.51827129       0.17068288      -0.97475957 
Hf       5.25896334       5.08933659       4.99543008       0.04031077      -2.58852372      -3.84545267 
Hf       0.34192479       4.64535484       4.81933270       1.42066755       2.04098214       1.01372019 
Hf       2.17029039       7.74337997       4.93999836       2.19301431      -1.60220479      -1.44046190 
Hf       5.28442164       5.33577740       0.32697403      -3.90275015      -3.23354194      -5.05841462 
Hf       5.19185804       7.75560931       2.96642041       0.93400711      -0.56242106      -0.73872520 
Hf       4.87693794       7.72557561       7.93621929       0.48927645       0.38088017       2.14298161 
Hf       7.75063284       7.91101731      10.46225508      -1.59239237      -1.14251034       2.27985239 
Hf       7.68206908       4.97653796       2.54868465       0.01647146       0.01859403       0.68583851 
Hf       2.80623794       4.97680443       2.26506266      -2.50709712      -4.88010505      -1.56561122 
Hf      10.35645844       7.22619846       2.62311744      -0.00739327      -0.51552894      -1.66642036 
Hf      10.32315269       5.01496356      10.20859971      -2.94272447       2.50574844       2.29455185 
Hf       7.96165687       2.35373398       5.24021262       0.35370819       0.02319745      -0.73326702 
Hf      10.25235628       7.64423293       7.68163567      -4.66706011       2.46462240      -2.38102469 
Hf       5.05029044       0.51754972      10.14411756       1.88568367      -5.16997763      -0.71216223 
Hf       2.24238157       7.92854505      10.26186293       3.00133960      -2.00418583       1.41882583 
O       0.89824278       8.47643901       1.09556728      -0.71468918       2.64854972       0.17316887 
O       1.46185822       6.00666521       0.75224462      -0.84339662      -0.78323186      -0.46146188 
O       2.50782188       1.52363726       6.62709841      -1.93417581       0.58923206       0.28109743 
O       1.19856829       0.73732663       3.61131239       1.52958843       2.97706598      -0.81915704 
O       3.94474050       3.72433259       1.08553679       0.59287946       0.62851715      -2.02872017 
O       0.76246926       1.25773885       8.88478261      -0.95802203      -1.47034413      -1.66477119 
O       4.46486260       3.95410482       3.37077462      -1.64597087      -0.47659853       2.71476464 
O       6.52396238       3.61265028       1.50187940      -0.67729249       1.98928216       0.00117633 
O       3.70870247       0.83066137       4.11621025      -0.39060752      -0.41514477      -2.06697736 
O       1.60786861       3.47109838       3.79143537      -0.06884550      -0.63744603      -0.09877519 
O       1.35890053       1.10494112       0.94558182      -0.54162370      -3.27791885      -0.48963819 
O       1.53760221       6.01543034       3.33089390      -1.61493938       1.17204397       2.45005512 
O       3.76021805       1.15361858       1.46630813      -0.23916185      -0.79922299      -1.91992958 
O       9.63723227       3.50091826       6.04399773       2.99240358       1.27809311       0.39885989 
O       1.40709424       8.70277100       6.44267350      -3.37465155      -1.65989291      -0.02484728 
O       5.92306048       0.99505565       3.39774089       3.51019725      -2.28843935       2.20845137 
O       6.66593942       9.45573622       9.84561379      -2.95373577       2.63404659       0.07209946 
O       9.80082463       0.78835751       6.62564685       1.52327314       1.72033654       0.22592800 
O       3.57781531       3.67840272       8.81937294      -0.47811021      -1.76666917      -0.90778196 
O       0.42899154       9.17360860       8.78275412       1.15023682       0.22721791       1.46930571 
O       1.26977016       3.29156663       1.16217983       1.26424916       3.32271155      -2.46119950 
O       3.39416302       9.73092820       5.87207658       0.77618095      -1.05113556       0.29711939 
O       8.17973521       8.26492443       8.68349885       4.44081509       1.28009869      -3.51687243 
O       0.77336772       6.23701455       8.57403109       1.00457445       0.85297800       0.88624674 
O       0.72035076       8.67641732       3.69404299       2.79513244       3.39601201      -0.32620767 
O       4.37474831       6.62631386       4.37289181      -2.29860204       0.47781709       2.55647223 
O       3.60788711       9.38569201       0.36332618      -0.45873620      -0.67924268       1.27681939 
O       3.51343541       8.72424021       3.09656468      -1.91586449       1.31325532       1.58998098 
O       0.93620787       3.96560801       9.00813536       2.37165679      -4.11929970      -2.74327544 
O       8.82443796       3.81468436       1.23460467       3.74903263       2.74075290       2.41318071 
O       7.29769338       0.59955219       6.05691239      -2.17637700      -0.27164984      -0.13081463 
O       6.19154373       4.37192411       9.28593458       0.38081892      -2.06249110      -0.24221147 
O       5.07445072       2.24436711       5.76256978      -1.27975596       0.40056450       1.54850091 
O       2.34210897       4.50862043       6.23222711      -1.57493704      -0.61057409      -0.77354439 
O       9.03845793       3.48056077       9.46103421       2.53573559      -0.66274131      -3.93296890 
O       8.68460126       6.33132590       6.44095443       4.94830947      -2.86741615       0.58134171 
O       7.52812007       3.41256574       6.82501676      -1.75068622       1.20483591       2.75711781 
O       6.44733159       1.74694222       8.89580970      -2.98875928      -0.32855386      -0.60851075 
O       6.43684163       1.25712522       0.92102110      -0.69690078      -0.78762661       1.31860329 
O       9.07069864       1.36623137       1.17992998       1.33593922      -0.51469894       1.42256901 
O       6.34291868       8.98227380       1.96961984       0.80491690       0.94199869      -1.08102444 
O       9.23205919       8.82930537       6.39474961      -1.70554295       0.21622669      -1.06331968 
O       0.10578293       7.00899435       4.91357696       0.85189704      -3.92733371       2.44369713 
O       6.42970672       7.30961428       6.81872752       1.70597320      -0.69868093      -2.25908098 
O       8.76933132       5.86294535       8.95305353       4.19180807       0.53959400       2.90042408 
O       5.28514255       5.01743118       6.83293371       0.77733158      -1.99795371       3.98444859 
O       5.46418386       9.68886381       7.57799381       0.95186717       1.12149450      -1.46364793 
O       6.38533108       6.70826944       9.16835865      -2.50355264       0.73772094       1.50007573 
O       3.57102401       6.15393899       9.76459755       0.35832569       1.29543004      -1.01277878 
O       6.35547917       6.39290274       1.35844735       3.22261836       1.94936742       3.50063714 
O       9.21302776       6.40743757       1.06187857      -0.35179628      -0.36795794      -0.04049762 
O       9.58109136       1.99742790       4.08938977       0.80743819       0.55510420      -0.92667958 
O       8.72810611      10.36218879       4.03419501      -3.38543797      -1.75049049      -2.40719323 
O       8.88947356       9.25970963       1.07893638       0.66528224       1.10298362      -0.76330376 
O       7.00548744       3.68587360       4.14554355       0.16536844      -0.98907672      -1.09370702 
O       6.83817226       5.91667097       4.19984712       1.00122878       2.69576458      -0.18434580 
O       6.19454313       8.63306674       4.57913823      -0.92548975       2.32288241       0.83309480 
O       8.67917788       0.83729872       9.17515906       1.72738575      -0.23579201      -0.37065623 
O       8.54610538       7.66953727       3.26095477       0.08971661      -1.18648157       1.21953912 
O       9.51888142       4.37475208       3.41557414       0.10388073       2.07973959      -0.55565540 
O       3.76673253       6.46329903       2.18605499       3.51976711       2.52684113      -3.51101317 
O       3.00356506       8.62711293       8.63742078      -0.25709985       1.34804152      -2.71954539 
O       3.40871920       0.81623905       9.02942372      -0.18288603       0.59054458      -0.73188698 
O       3.57024668       6.84826847       6.87274609      -2.85448457      -0.82611126      -0.74204620 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.033303267459587185 -0.009089431140699367 -0.007010824808061012 -0.009089431140699367 -0.03684185628705936 -0.003810973665906585 -0.007010824808061012 -0.003810973665906585 -0.0439370937112104" pbc="T T T" energy=-924.67246139 free_energy=-924.67409701 config_type=crystal 
Hf       0.00257657      10.41104145      10.44715874       1.76615810       1.64247931      -4.73084274 
Hf       5.12040289       2.21720209       2.24702270      -0.02016809       2.06562779       2.50742876 
Hf       9.94069021       2.53361363       7.68186310       1.05266382      -2.49799042       2.27005604 
Hf       0.03915489      10.22606298       4.70893271      -2.76394738      -0.39701283       1.67970758 
Hf       7.38608808       5.67660502       7.71430947       1.16655512      -3.59758625       2.77450553 
Hf       7.92204868       7.36595750       5.13500282       3.39178642       3.26596429      -1.39452350 
Hf       7.86424710       2.61609734       0.26280335      -0.12843523      -0.79316184      -4.37448611 
Hf       7.65632327      10.46236602       2.36375056       0.07014323      -1.73712589      -2.06367390 
Hf       2.89151602       2.32474146       4.95438007       1.27353006       0.03044799       2.05295897 
Hf       5.34145960       3.13994551       7.76920574      -1.34442289       2.26751444       0.13344681 
Hf       5.36692565      10.45542222       5.54764542      -1.80853999      -0.20027745      -4.26492503 
Hf       2.14496187       2.13459447       9.74357064       2.05349669       0.93272943       1.00543776 
Hf       2.64125327       0.00193154       2.45598960       1.01044470      -2.20124795      -2.48931186 
Hf      10.17762834       2.73676205       2.18393266       7.10214371       0.68344372       6.08611277 
Hf       2.16718349      10.18221714       7.56858470       0.66620244      -0.46972632      -0.79319835 
Hf       7.58417138      10.17932261       7.92356879       4.63369877       3.72880446      -0.29521153 
Hf       2.32215285       5.19981037       8.07749907       4.01727799      -0.44869152      -2.82239196 
Hf       5.11191763       5.07646306       5.01472766       1.06258492       2.12800632       1.93299061 
Hf       0.35361355       4.74992034       4.78628264       2.89879241       1.83360074       1.92592682 
Hf       2.32939117       7.66219638       4.98087463      -0.13584652       0.49270410       1.78652897 
Hf       5.20903695       5.34025756       0.30479228      -0.08516910       0.08246681      -1.67544193 
Hf       5.15232658       7.71318237       2.96915942       4.08165781       4.30268221       2.63013377 
Hf       4.81488143       7.67139020       7.87643028      -4.12600011      -0.29282315      -2.38965685 
Hf       7.74084380       7.93101623      10.37858106      -0.40122348      -1.01993492       2.08980309 
Hf       7.75833889       4.90923234       2.43943929      -1.55589039       4.82323505       1.80983198 
Hf       2.68251270       4.99001110       2.30761446       0.09772288      -1.08671569       0.79037200 
Hf      10.42457079       7.17225127       2.61301787       0.68748347       1.84340457      -2.58079707 
Hf      10.27923254       5.03621089      10.17353197      -1.38357935      -0.24657636       0.25660562 
Hf       8.00666404       2.31954206       5.23113979      -1.16661418      -1.46282102      -0.32656304 
Hf      10.15995062       7.59792093       7.66513351      -0.63965090       1.73383470      -2.68631598 
Hf       5.17393614       0.45835844      10.15551535      -6.02771972      -1.75906584       2.93237106 
Hf       2.25757336       7.92419279      10.24875705       2.07039515       1.28719010      -0.23449359 
O       1.14811671       8.63004295       1.33561397      -0.48165077       0.58230538      -0.81715223 
O       1.17181271       5.90166903       0.78979840       2.41072124       3.43383693       0.90104091 
O       2.38372614       1.61243701       6.73735658      -1.54006945       0.58275350      -2.00015542 
O       1.17818066       0.86408330       3.37855718       0.39410465       0.64602761       1.93860428 
O       4.07387196       3.87401170       1.09011533      -0.18115426       0.75379013       0.14974879 
O       0.72985491       1.18453333       8.77534227       1.43406433       0.27223497       0.07270026 
O       4.31399851       4.20661781       3.58165599      -0.57338493      -2.13161903      -0.95554905 
O       6.54256762       3.74767692       1.41596267      -0.07514054      -1.05518690      -0.12239667 
O       3.99670728       1.19374400       3.65733007      -1.73921484       0.25240239       0.86494877 
O       1.96719995       3.54918764       3.79968347      -2.49612006       0.69296174       0.57523629 
O       1.32030579       1.08842629       0.89787185      -0.11442720       0.97064250      -0.02930653 
O       1.46684013       6.20183232       3.45313597       1.64953552      -1.45467269       0.43031352 
O       3.74160318       1.24528313       1.19751571       1.70339314       1.39245086      -0.17352148 
O      10.30406192       3.84803962       6.41363440       0.57966666       0.76059044      -1.88797247 
O       1.32221022       8.68316833       6.37607393      -0.24162391       0.47852273       0.89127757 
O       6.36783138       0.72250806       3.53169663      -1.56911805       2.67301961       1.45536130 
O       6.48885917       9.68472631       9.92069443       3.69177658      -3.45923295      -2.74427039 
O       9.49350832       0.91045411       6.71552043      -0.11828805       0.75780335      -1.78199683 
O       3.76921165       3.95392051       8.79172899      -1.35303050      -2.21904566      -0.14575830 
O       0.70434145       9.30402802       8.74524912      -1.53589341      -2.47655582       3.07047549 
O       1.38039591       3.81980516       1.56920720      -3.13718598      -3.89457118      -2.51966256 
O       3.45881650       9.65227680       5.93807644       0.73871418       0.34970824       0.55849156 
O       8.45289330       8.59124652       8.54940527       0.79518806      -2.50313808       1.68100899 
O       0.73386294       6.16504970       8.75769029       1.28297329       2.07965697      -0.78629182 
O       1.09617369       8.72592359       3.83245147      -2.78754526       1.46150580      -1.04064421 
O       4.04780442       6.68031046       4.84226258       3.39158452      -0.32754313      -1.86315950 
O       3.59587422       9.50736400       0.28086404      -1.12132614      -2.67409058       1.13966369 
O       3.49108579       8.89443391       3.35840797       1.20549063      -0.16527413      -0.07219869 
O       1.12807299       3.64243353       8.87816180       0.54029003       1.03624505       0.05887910 
O       9.11413306       4.03020320       1.24915426      -1.57602833      -2.38064550      -2.40780759 
O       7.20025379       0.54471160       5.92262969       2.14680590       2.87960801       1.48464343 
O       6.18088066       4.25690915       9.48854702       2.54218366       0.64191226      -0.80676973 
O       4.93070343       2.05191913       6.08685295      -0.62678609       1.70469626      -0.33114157 
O       2.51131686       4.92057445       5.99122883      -1.23977154      -3.35856991      -0.11947281 
O       9.33155497       3.23171744       9.34558020      -2.86345084       2.18034286       3.46961754 
O       8.99059098       6.09571060       6.52847813      -3.57150459       0.17387145       2.23633829 
O       7.72795761       3.47550151       6.98802835      -1.11868859      -0.07200195      -0.14955324 
O       5.81091012       1.89535304       9.11949897       3.07006724      -0.52860795      -0.29723594 
O       6.45836851       1.20721264       1.16884585       0.51941911       1.76711443      -2.17243007 
O       9.15545644       1.43479848       1.39629585      -2.96290285      -1.83488085      -1.56385408 
O       6.34498377       9.12079281       1.85701808      -0.56549916      -2.72640475      -0.06229475 
O       9.58967051       8.98206374       6.36822721      -3.47512109      -0.59354971      -1.76072902 
O      10.41308958       6.71622417       5.18166051       2.22388747       0.17560457      -2.18169177 
O       6.72201460       7.04939116       6.61266050      -2.90018567       1.76185373       0.17364764 
O       8.85945776       6.02897968       9.14633546      -2.28265089       1.74456141      -1.19075653 
O       5.25373997       5.13721182       7.23016839       1.58571647      -0.47713201      -2.50991229 
O       5.99870682       9.54998948       7.14352741      -3.85202376      -3.22285864       3.79100442 
O       6.10959192       7.00757388       9.13173606       2.55643438      -0.40495206       2.16982645 
O       3.65158381       6.47350724       9.60563554       0.09993575      -0.60515246       0.82357374 
O       6.66218854       6.41450697       1.42565301      -2.56669035      -0.00679515      -1.37587836 
O       9.04812682       6.21966044       1.02346688       1.49674106       1.92814052      -0.04000607 
O       9.58014543       1.97480406       4.02686469      -0.06914294       1.30090433       0.57113961 
O       8.70149391      10.19069853       3.86816958       3.63949115      -2.23422965       2.52588333 
O       9.19381151       9.50756641       0.81290452      -6.39658180      -5.33783851       2.51581921 
O       6.92595929       3.47497119       3.94241910       0.09986358       0.36085825       0.81710688 
O       6.81917516       6.23353465       4.02875478      -3.50872094      -2.86445730       0.14437358 
O       6.10074233       8.80512573       4.80751772       0.78509547      -2.41413455      -2.10527844 
O       8.79283558       0.89312459       9.38580170      -2.21156688      -0.46879063      -0.35611015 
O       8.56609624       7.38169877       2.97166000       0.15936466       1.14784637       2.95289110 
O       9.37369440       4.50286129       3.51529034       1.32696509      -0.03268485       0.36346730 
O       3.87561219       6.65990482       2.22922430      -1.79054294      -2.99863053      -4.03698605 
O       2.93900766       8.54720486       8.41973690       2.56872437       1.08590691       1.19610340 
O       3.46377173       0.82915497       9.02424316      -0.83992917       0.48029454      -1.35123369 
O       3.07798027       6.77358596       7.00032206       1.29984324       1.45310228       1.04313755 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0017278669929771577 0.002230524596105753 0.012998842131150889 0.002230524596105753 -0.00010884641414435501 0.00607640840192692 0.012998842131150889 0.00607640840192692 0.009585311207656839" pbc="T T T" energy=-934.75072773 free_energy=-934.75082383 config_type=crystal 
Hf       0.33150872       0.20607843      10.27654670      -2.34127676       0.33441037      -0.03013272 
Hf       5.21141184       2.60864059       2.40749425      -0.78963067      -2.73153948       2.57547239 
Hf      10.26829881       2.61858337       7.73261057      -2.46838051       0.03823365       0.06264948 
Hf      10.08186596      10.16676505       5.11353455       3.76561996       3.10982853       2.76059228 
Hf       7.28117709       4.95372101       7.66228691       0.90087199      -1.52632216       1.10303635 
Hf       7.88685933       7.77668133       4.79948994      -0.72692903      -0.58518225       3.41078874 
Hf       7.47168674       2.35952221      10.26540553       2.45130287       0.11555379       0.79243490 
Hf       7.73936325       0.14078944       2.66393729      -2.80583713       0.14896958       0.80182099 
Hf       2.44925072       2.57782276       5.59811752       2.96127791      -2.41027481      -0.20628881 
Hf       5.23933943       1.69488492       8.10775371      -5.62917403       0.40040791       1.64982608 
Hf       4.94183999      10.08792338       5.22909919       1.45346159       2.27094132      -2.74833216 
Hf       2.50702781       2.70117760      10.42907241       1.69015301      -0.89791172      -0.44189498 
Hf       2.34638001      10.13401966       2.42850682       3.76782479      -0.83463899       2.62310057 
Hf       0.09853184       2.47377648       2.90450918       1.08226208      -0.20869952      -1.50557861 
Hf       2.13871449      10.12960816       7.60423383       1.78166423       2.01790361      -0.87246309 
Hf       7.88364830       0.07284402       7.60547450      -0.36578729      -2.79956899       2.99492057 
Hf       2.17080930       5.00770023       7.88390535       1.72394487       3.72993969       0.03543114 
Hf       4.65622629       5.04696073       5.13873967       3.30666684      -1.85210431      -1.10899372 
Hf       0.20059802       5.36221753       5.09616725       1.57600982      -0.13684984      -0.88479490 
Hf       2.34066463       7.81430481       5.23841610       1.26555893       0.85249592      -0.60593216 
Hf       5.06521451       4.77802000      10.37334335      -1.02573891       2.76444211      -2.70992763 
Hf       5.40476012       7.29158342       2.62103812      -1.94038251       2.64815319      -1.24519505 
Hf       5.37551965       7.45757286       7.44482722      -3.99343361       3.30636780       3.49467760 
Hf       7.63189213       8.20574278       0.00300390      -0.36653613      -4.68692849      -3.44812725 
Hf       8.16227508       5.41815215       2.38160924       1.75845408      -3.72488347      -2.56056652 
Hf       2.70354600       5.53466105       2.18722030       0.28584287       0.53240019      -1.62835488 
Hf      10.15557637       8.22205498       2.21159524      -0.18452962       0.09427802      -0.23272557 
Hf       0.14073533       5.03739755      10.41687228      -3.72163516       0.69739475      -1.38866526 
Hf       7.70278765       2.68538860       5.03901678      -2.95331332      -0.65695391      -1.37267037 
Hf       9.79555039       7.68026104       7.69345672       1.46121645      -0.42712159       3.52498786 
Hf       5.04520199      10.03958324       0.05612793       0.74817651       1.98896471       0.19761459 
Hf       2.72700745       7.66289960       9.95137694      -1.03916702      -0.76555605       0.99328002 
O       0.91729430       9.03191111       0.83546578      -0.85507798       0.45017076       3.07043043 
O       2.00660812       5.95851107       3.98128345      -2.01156154       1.08889602       1.15079728 
O       3.68663009       1.13731873       6.45877408       3.16176657       4.28876423       2.05840229 
O       1.04809929       0.90908220       3.94240026      -0.83214555      -0.42990934      -2.15224137 
O       1.02729008       3.82150121       1.25059441       2.02742856      -0.65864746       0.42540754 
O       1.57031296       1.26232608       8.94543602      -1.03836656      -0.56204621       1.17075034 
O       4.12929990       3.10632692       3.95202739      -0.64819703       0.94241118       2.05720279 
O       3.73606865       3.99982851       1.38859241       0.10028959      -2.43331283      -1.09185047 
O       4.18595638       0.31420422       3.41735047      -1.31492895       1.39178948      -1.27667420 
O       1.49737307       3.37258475       4.23851638      -2.98094431       1.37423452      -5.02709052 
O       1.71321835       1.12349560       1.24173844       0.43148347       1.22963186      -1.07769933 
O       3.97862682       6.98689026       1.13896653      -0.34865433      -0.88925236       0.89667691 
O       4.44405978       1.47770519       0.52512787      -2.06182537       2.21602840       0.43199861 
O       8.89804674       1.44952872       3.75232015       1.90277595       0.81303300      -0.65750199 
O       0.81402043       8.97855485       6.42843497      -0.50283686       0.05385031      -0.93056506 
O       6.53564894       1.26708339       4.50271623      -1.56943869      -1.92601883      -1.55413758 
O       5.93450589       8.45248596       9.23590719      -0.27051439      -0.16365243      -0.24185668 
O       1.04850015       1.17721588       6.32208121      -0.37788107      -0.07003095       2.19885437 
O       3.09014189       5.53150915       9.96978688      -0.26774272      -0.75419658      -2.82613828 
O       1.20522406       8.99843079       9.02900026       0.93245862       0.21641455      -1.03807282 
O       8.84619855       4.38413502       0.78549417      -0.64359333      -1.24979326       0.92963764 
O       3.13183389       9.80907817       5.85575862      -1.99597140      -6.49269758      -0.76198051 
O       9.03402633       9.04029841       9.27524943       1.09294389       2.57719492      -2.39224243 
O       1.49328769       6.47323491       0.82300001      -2.28494877       1.09331672       1.35583778 
O       1.19125859       8.89719532       3.64658003      -1.40837295      -0.97811764      -0.22133733 
O       4.52054174       5.54575512       3.19972761       0.37562195       1.20164621      -0.57939108 
O       3.33333011       9.35997237       0.73702551      -0.50376845      -0.84664074      -0.15165545 
O       3.75222208       8.42214905       3.61450384      -0.11679019      -1.00221255      -0.67284329 
O       1.22840868       3.68546834       8.89189094      -1.76160294      -1.55676871       3.54147003 
O       6.15599549       3.59038553       1.03901254       2.40666396       0.49235966      -2.19316355 
O       6.47423537       1.13827628       6.87551419       0.57864505       0.51769028      -2.34216793 
O       6.27011601       3.30834866       8.88573650       1.99041594       0.42196674       1.23827133 
O       3.27939894       4.53259859       6.27185852      -0.66600434      -1.60508383       0.73130553 
O       1.10134964       3.75023696       6.43958210      -3.62329179       1.86678106       2.64416870 
O       9.00872199       4.15970547       8.88114927       0.72928893      -0.38317530      -0.68362847 
O       8.41545560       3.41182892       6.70319930       2.59398072       1.56021097       0.56447595 
O       6.11110774       3.85014950       6.15196349      -0.24694984       1.55257680      -0.52463575 
O       6.68983826       0.63531341       9.35481034      -0.24663132       1.18855217      -0.83187247 
O       6.65090043       0.94888746       1.25903132       0.76006624       2.56905873       1.04922955 
O       9.16121463       1.46776178       9.06480146      -0.02751974      -0.86301565      -0.75030613 
O       6.22818328       8.92563648       1.14973405      -0.83565110      -0.44875395       4.00412650 
O       8.74033827       9.07633835       6.49439987       0.70898243      -1.19091124      -1.46510341 
O       0.54237146       6.11213207       8.67052443       0.52572765       0.59859517       1.52012355 
O       8.29033301       6.86258791       8.86279407      -0.81264532      -1.70609638      -1.39666646 
O       9.22119234       6.73280714       1.23111723       0.33122283       1.95633654       0.02702151 
O       9.41490192       6.63315991       6.10725073      -3.44610769      -1.99857866      -0.41831063 
O       6.32085970       9.06144809       6.61867971      -1.51681738       1.11626201      -0.79359845 
O       5.23826947       5.61435331       8.42102519       2.24892701       0.01189434       0.63324152 
O       4.18992233       6.99322043       5.50843830       1.38240456      -0.57079352       1.39283937 
O       6.41809593       6.48242675       0.90769166       1.04789767      -2.23883641       0.79499352 
O       9.63996426       7.05968331       3.91297632      -0.06601720      -0.81603433      -1.92194510 
O       9.82777781       1.64552548       1.02257799      -0.97295414      -0.41449655       1.32486531 
O       8.80029254       9.33457394       3.89709355       2.11031033      -0.50618839      -2.22075526 
O       8.57425245       9.57761836       1.05153304       3.19858808       0.33777526       4.22943836 
O       6.90479380       3.60151163       3.40324747       0.73178371       0.84853082      -0.54959233 
O       7.01333374       6.30547920       3.62432972      -1.83540740       2.90865080       2.29022299 
O       6.47955974       9.20669215       3.95091085       0.09800263      -2.30795111      -0.97632331 
O       8.99539130       1.04727173       6.42050693       2.09883306       1.05542315      -2.07697891 
O       1.15983958       6.43486906       6.49500586       2.84355472       0.13221919      -1.56225707 
O       9.69703949       4.43037763       3.47051803      -0.91516168      -1.05807167       0.50006576 
O       3.27620989       7.51652205       7.81933685      -0.72931248       0.52458608       2.22016988 
O       4.07869562      10.43895742       8.86091539      -1.10100293       0.44300300      -3.01347210 
O       3.81054927       3.25892914       8.81638652      -1.17028779      -0.41496577       1.48115112 
O       6.72019139       6.61024772       6.54675044       3.91316732      -3.22967724      -3.66405617 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03110201323816496 0.002703700836576332 0.0045053907954265915 0.002703700836576332 -0.031805678730073755 0.011360566053517589 0.0045053907954265915 0.011360566053517589 -0.020833748318792096" pbc="T T T" energy=-932.81395645 free_energy=-932.81556779 config_type=crystal 
Hf       0.14371118       0.18686521      10.30312750      -1.58258801       3.57296147      -0.72140675 
Hf       5.21447236       2.61804269       2.52003081      -0.04496158      -1.37681123       0.09365383 
Hf      10.19960412       2.65974673       7.67316464      -0.59985155      -1.02678837       2.31382708 
Hf      10.06016157      10.15303685       5.29346548       1.76419305       1.83387549      -2.83902526 
Hf       7.26589947       4.89321486       7.65822676       2.47803150       0.67871926       0.36802320 
Hf       7.86077452       7.80086306       4.85070734       2.61403466      -1.41631864       2.82494032 
Hf       7.52758608       2.40869368      10.25005465       4.92276107       2.19798131       1.27020459 
Hf       7.73753941       0.09190454       2.70740112      -1.88610551       1.39369980       2.84487047 
Hf       2.46790986       2.60295106       5.55328565      -0.42753569      -0.41706957      -2.33715287 
Hf       5.19097229       1.85176687       8.06344244      -1.49786775       1.47671934      -2.76752791 
Hf       5.09630855      10.11593041       5.07467575      -1.09246580       2.82724569      -3.99446095 
Hf       2.50569421       2.64198465      10.44840296      -2.89940563      -1.77714575       1.47277674 
Hf       2.38970380      10.10890267       2.49282151      -0.12240848       1.54833268       0.52414661 
Hf       0.09722524       2.51765435       2.86822904      -0.71636326      -2.26043065      -4.25806100 
Hf       2.20980542      10.13886028       7.38339126      -0.47422994       3.64870619       1.80700459 
Hf       7.77783711       0.09261624       7.71685580       1.03628476      -0.32694908      -1.97045595 
Hf       2.24105278       5.10465304       7.82914075      -0.33263948       2.10306787       2.30403574 
Hf       4.68309533       4.94961523       5.20229536       6.10426181      -0.84400891      -0.77897595 
Hf       0.32573075       5.26510815       5.01840244      -1.14715602       1.73570059       0.16678585 
Hf       2.34383233       7.87759015       5.18058563      -1.21062923      -3.60610106      -6.33917462 
Hf       5.00012019       4.78953459      10.38183133       2.34890387       0.96586581      -2.27103107 
Hf       5.30728809       7.30347795       2.62492715       3.51413936       2.85234150       2.42932476 
Hf       5.24690042       7.51390624       7.46813231       1.65479616      -2.55702805      -1.56369472 
Hf       7.59275356       8.19384009       0.02918468      -0.34608703      -2.39522009      -2.14461668 
Hf       8.04572756       5.34840864       2.29589954      -0.10142639      -1.88933885       1.28241808 
Hf       2.83553053       5.51003691       2.35756137      -2.91598665      -1.81202892      -2.93611888 
Hf      10.13212779       8.20496818       2.06916774       1.98274864      -3.11043579       7.41355337 
Hf       0.01926974       5.12776429       0.01063554       1.74060959      -2.09300215      -0.48240828 
Hf       7.67295825       2.70020812       4.99416105      -1.09012024      -1.71397627       0.85563007 
Hf       9.86204164       7.57788339       7.86528912      -2.13982743       0.00932038      -1.04086130 
Hf       5.10037623      10.04151845      10.46045427      -1.90726659       2.76493864      -0.02680987 
Hf       2.68494327       7.56262964       9.99779474      -2.50326336      -4.04857725      -1.18615508 
O       0.74262619       9.29646546       1.06078496       3.79515393       0.71774482      -1.30682913 
O       1.83585291       6.20949965       3.88631943       0.25620020      -1.76644002      -1.45604797 
O       3.94595887       1.44241589       6.07707511      -0.57598237      -1.01889228       1.82924865 
O       1.22169294       0.71872672       3.70071739      -1.04383041       1.06577578       0.56955554 
O       1.47171466       4.08337903       1.07742621      -1.70187775       0.50656678       2.63654282 
O       1.45556897       1.12739028       9.20713456       0.08672771       0.04601432      -2.54701373 
O       4.00357771       3.26220454       4.27498983       0.21851289      -0.34676703      -2.41210044 
O       3.80701745       3.71833734       1.15440920       1.65877034       1.09141634       3.01274242 
O       4.01046175       0.70415892       3.22463842      -0.02808672      -0.38239598      -0.44959215 
O       1.31271706       3.56466652       3.91364982       3.34426750       0.64770361       3.35744632 
O       1.59034631       1.14867843       1.06454860       2.24839612      -0.23566211       2.64995279 
O       4.04894021       6.79445138       1.27585772      -2.12719115      -0.87466686      -2.17146317 
O       4.84359147       1.51110158       0.80753107      -0.36879957      -2.33263473      -1.10755886 
O       9.07028125       1.50477717       3.58801358      -1.58904181       0.29029802       2.62282351 
O       0.85234064       9.15332866       6.26441999       1.80223874      -3.17015271       0.00353821 
O       6.49389362       1.12898920       4.35024044       0.03171486      -0.64768908      -3.17488390 
O       6.07360609       8.51906208       9.01224858       0.99442150       2.09504674       3.07791818 
O       1.00511513       1.20877367       6.47386131       2.10535277       0.72834895       0.02597280 
O       3.14814620       5.44154714       9.65176867       0.99069446      -0.44628397       0.29581923 
O       1.13393982       9.10647400       8.61098023       0.35140310      -2.15974679       1.99982725 
O       8.95685287       4.29499628       1.00158122       0.87611569      -1.52899815      -0.92662110 
O       3.08988253       9.39507025       5.69632962       5.62926285       6.67241821       3.51110690 
O       9.18384894       9.30125888       9.40902316      -2.37275398      -2.04424143      -0.97661691 
O       1.57232833       6.53864343       0.77542234      -0.77744331       0.42131880       1.40486000 
O       1.35313449       8.55456029       3.43152746       0.17475062       1.21339311      -0.17078285 
O       4.68309679       5.52661212       3.25126590      -1.41021376      -1.15342990      -0.17111614 
O       3.27296840       9.14457107       0.23496263       3.04497741       4.04335791       2.29645216 
O       4.05996175       8.44006990       3.62145665      -1.22412883       0.32649822      -0.20746128 
O       1.31529824       3.67963647       9.23012336      -2.16801832       1.08656646      -2.69602971 
O       6.54858663       3.99288230       1.10451724      -1.95409226       0.77409661       0.74232674 
O       6.40153212       1.19977358       6.54142513       2.21503291       0.12904100       2.85534268 
O       6.37304868       3.54699351       9.20937255      -2.02803353      -0.37282307      -2.12556037 
O       3.26920454       4.33593671       6.24637406      -1.52604626      -0.83621299       3.05307545 
O       0.94554121       4.01218763       6.70544734      -0.57540000      -0.92533741      -1.73549809 
O       8.93142743       3.71143321       8.79027011      -0.12151133       2.49347977       1.96523152 
O       8.88193047       3.46161537       6.51123475      -1.41673077       0.64046096      -3.16562131 
O       6.18269372       3.72381451       6.28224874      -0.29082573       1.15258632      -0.86394795 
O       6.57708442       0.97311902       9.11292693      -0.54738173      -2.33793609       2.25292800 
O       7.25262320       1.51209221       1.43793489      -2.01044734      -1.71568840       2.15607388 
O       8.85458511       1.39129572       9.08503713       2.04236943      -2.26361644      -2.14156209 
O       6.02163481       8.97326041       1.60636996       1.12249069       2.25617177      -4.04232606 
O       8.93635544       8.86932895       6.44944430      -2.25752212       1.34842843       1.40623147 
O       0.48673565       6.14207785       8.69503669       1.18440423      -0.03301472       0.24697978 
O       8.07282978       6.59506106       8.74596898       2.10519406       2.10075726       1.49010822 
O       9.68244175       6.54134507       1.25321222      -3.18219520       0.02432447      -1.15941680 
O       9.19137948       6.51541317       6.26625502       3.19552725      -2.00835069       0.28786696 
O       6.06003226       9.33569571       6.45229047       0.69367220      -3.33244636       3.07307255 
O       5.53578784       5.51960595       8.43146491      -1.31952419       2.56816465      -0.33568863 
O       4.37737700       6.80463782       5.69938543      -1.48970775       1.59050920       0.26631061 
O       6.44880366       6.66285357       0.59438659       1.36879557      -1.20783893       1.75011445 
O       9.52952911       7.16877596       3.81322464       0.16530773      -2.18623558      -0.29425110 
O       9.64489070       1.70286937       1.13970345       1.18235944      -0.78905122      -1.22917869 
O       8.95171731       9.39632515       3.87643798       0.64614884       0.72177429       0.18897918 
O       8.73722154       9.34946954       1.55382042      -3.11088816      -0.48007332      -4.16745928 
O       6.82861232       3.53973865       3.43102874       0.52181543       1.14518081       0.74893608 
O       7.03904731       6.30099621       3.95328814      -1.65766341      -1.19025329      -3.64399132 
O       6.56373164       8.93269614       3.90253325      -1.33290575       1.34198181      -0.26723069 
O       9.09296465       0.87742645       6.36901940      -2.53626455       2.58407956       2.31707335 
O       1.66738006       6.47628937       6.16631171      -2.30146229      -3.15298253       4.37083712 
O       9.63256738       4.35730293       3.70517442      -3.28307231      -0.43109615      -1.54486838 
O       3.30148838       7.17373987       8.10156411       0.68523046       1.74068387      -0.70852329 
O       4.21446296       0.23515259       8.68777095      -1.06106177      -1.59668855      -0.68215567 
O       3.76783922       2.80419232       9.06088972       1.82522883       1.96668709      -2.38168981 
O       6.86957201       6.53191481       6.39682317      -2.42165127       0.48980654       1.34470006 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.032824753567893286 0.006846403497339062 0.006563512513838325 0.006846403497339062 -0.02777330909234049 0.014937291107175293 0.006563512513838325 0.014937291107175293 -0.016011513067261455" pbc="T T T" energy=-932.79949854 free_energy=-932.80049559 config_type=crystal 
Hf       0.09840185       0.19030084      10.30606170      -0.82260426       3.53801270      -0.36779175 
Hf       5.21538512       2.61646732       2.54474234      -0.21803705      -1.55307081      -0.28523362 
Hf      10.18186893       2.66787488       7.66555059      -0.72102807      -2.15879472       2.70752935 
Hf      10.06416699      10.15600706       5.32522171       0.50109074       1.88951067      -1.22638747 
Hf       7.26670035       4.88099286       7.65986514       3.36778233       0.95580385      -0.11190178 
Hf       7.85964899       7.80489171       4.87110408       2.41095272      -2.89211076       1.65255470 
Hf       7.55105905       2.42397684      10.25187441       4.40250434       1.82055878       0.84522445 
Hf       7.73161858       0.08341771       2.72486177      -1.76016328       1.73771007       1.52952967 
Hf       2.47253352       2.60561826       5.53838137      -0.60202526      -0.41136884      -2.21145355 
Hf       5.17185724       1.88928485       8.05434553      -0.65003313       1.01896442      -3.98264960 
Hf       5.12764068      10.12868985       5.03349722      -1.05985544       2.23474698      -3.18473364 
Hf       2.50189069       2.62623008      10.45329151      -3.48383846      -1.47858317       1.85478634 
Hf       2.40113781      10.10707611       2.51026501      -0.10006324       1.10624634      -0.95815841 
Hf       0.09526555       2.52076941       2.85168616       0.13822528      -0.98523788      -4.15680992 
Hf       2.22447443      10.15063162       7.33898223      -0.19057594       3.23731364       3.19547643 
Hf       7.75705145       0.09449409       7.73645334       0.79014916      -0.74351021      -1.63084174 
Hf       2.25758666       5.13525997       7.82670422      -1.50773427       0.69297471       0.58695608 
Hf       4.70053013       4.92434563       5.21564834       6.64491397       0.25770647      -1.10247106 
Hf       0.35250256       5.24930963       5.00427412      -2.59812706       1.15731499      -0.48793516 
Hf       2.34509571       7.88770845       5.15903677      -2.26794436      -4.80953590      -7.04527782 
Hf       4.99043948       4.79631994      10.37562278       2.73675600       0.51120446      -1.45726250 
Hf       5.29312931       7.31490515       2.63058842       3.78051967       1.74100155       1.47446621 
Hf       5.21844114       7.52342514       7.47226468       2.25035504      -2.30396027      -1.30524871 
Hf       7.58239213       8.18382697       0.02791775       0.20719125      -2.05173710      -1.94530279 
Hf       8.02212868       5.32788411       2.27833485      -0.02576124      -1.99000945       1.62015981 
Hf       2.85998178       5.50155395       2.38377491      -4.49967435      -2.58419636      -2.26803782 
Hf      10.12741549       8.19645654       2.05411368       5.87186372      -4.19194745       7.16532455 
Hf      10.46012939       5.14511997       0.01945426       2.22679077      -2.97824826      -0.01219774 
Hf       7.66306288       2.70025406       4.98446380      -0.12124282      -1.40574952       1.38690383 
Hf       9.87412926       7.55695120       7.90420852      -2.81423110       0.07482303      -1.70417005 
Hf       5.10901838      10.04828128      10.44828176      -1.60539090       3.04581113      -0.12561122 
Hf       2.67063639       7.53122549      10.00325329      -2.11939306      -1.39292561       0.98474719 
O       0.79780200       9.37180420       1.09134741       2.34546956      -0.37554510      -0.73155814 
O       1.77789727       6.24463479       3.86534799       0.80173734      -2.11733343      -1.45645303 
O       4.01082168       1.53587916       6.05291410      -0.67828681      -1.72679353       1.77358400 
O       1.23943587       0.70201911       3.62191088      -1.90171976       1.47923438       2.14097629 
O       1.55625392       4.12237913       1.12044837      -1.98912581       0.61993481       1.98262449 
O       1.42227348       1.09651719       9.20935256       0.25242923       0.20295413      -2.22036323 
O       3.97245835       3.30371150       4.31747349       0.69434844      -0.88574802      -3.61898537 
O       3.84519637       3.65585287       1.18419830       1.81940759       1.57722469       2.21449529 
O       3.95833348       0.78746286       3.15078650       0.44092100      -0.44130544       0.43969519 
O       1.33502116       3.62332015       3.89721129       2.28140398       0.12107885       2.97833213 
O       1.63414495       1.14834016       1.09362915       1.76855155       0.32568152       1.91411463 
O       3.98231301       6.71698308       1.25860702      -0.05353214       0.16328012      -1.90441111 
O       4.89753699       1.48321000       0.85947712       0.03798969      -2.25136725      -1.52383617 
O       9.11217630       1.55461010       3.59793784      -2.68378827      -0.92190177       3.27285352 
O       0.94342986       9.08694103       6.25014430      -0.73881818      -1.59646807      -1.39219937 
O       6.44652443       1.03558078       4.23726807       0.81730461       0.56450678      -2.74769980 
O       6.13947313       8.59738997       9.07023939       0.25615577       1.38082879       1.78211726 
O       1.05233434       1.26008558       6.53711986       1.55154131      -0.41986801      -0.82547787 
O       3.19791633       5.40907942       9.55363747       0.61911802      -0.69560136       1.72504982 
O       1.12825552       9.07218411       8.57526558       0.57626544      -1.82285664       1.70006642 
O       8.98044002       4.22023643       1.03903839       1.40713496      -0.96326776      -1.29834529 
O       3.16299501       9.32719422       5.70506586       6.33919446       8.10490872       4.11377784 
O       9.16640482       9.33381012       9.39669743      -2.14235705      -2.65128759      -0.68361685 
O       1.54405996       6.58133893       0.83180585      -0.25240785       0.16807839       0.27551284 
O       1.38050591       8.49245868       3.37105700       0.35169801       1.81861113       0.50530706 
O       4.68224453       5.49472360       3.25239279      -1.06465364      -0.42751930      -0.09240193 
O       3.32826772       9.20405352       0.19583725       1.70326149       1.32353910       1.29774913 
O       4.10297814       8.44031460       3.61213754      -1.90442301       0.67654071       0.12439062 
O       1.25797371       3.67338847       9.27802098      -1.50439741       1.11355332      -2.68227388 
O       6.60381698       4.09076901       1.14198582      -2.40817244       0.48762330       0.02053280 
O       6.48741588       1.18663107       6.48104207       1.23925401       0.75624423       2.61181759 
O       6.35197216       3.60383314       9.21802883      -1.26862712      -1.46569304      -1.22871627 
O       3.31758968       4.26173282       6.24361768      -3.06267410      -0.04943287       4.92181638 
O       0.79613547       4.00891380       6.72388135       3.06824845       1.10061294      -1.76058959 
O       8.93314368       3.66960117       8.81089407      -0.90100253       2.46429249       1.80869879 
O       8.99934763       3.49442346       6.41954425      -3.25012787       0.46545783      -3.16707395 
O       6.18242244       3.74846786       6.28624986      -0.17744873       0.49780297      -0.82299965 
O       6.52986291       0.98239123       9.10464859       0.05381043      -1.63310640       2.53021009 
O       7.33656527       1.62119219       1.51298602      -2.25593614      -1.87536567       1.76096579 
O       8.85932065       1.30782045       9.00911521       1.11252029      -0.89903821      -0.47905236 
O       6.00419865       9.03215655       1.64121623       1.10563109       1.72550845      -4.31669476 
O       8.89656860       8.85227794       6.48466557      -1.08376468       1.61635691       0.53924809 
O       0.49708997       6.15786099       8.71313453       1.56088918      -0.31714997       0.35923540 
O       8.06696725       6.57522426       8.74685024       2.41241682       2.28986084       1.49271167 
O       9.72136377       6.53009254       1.23746676      -3.95385218      -0.20532100      -1.12534823 
O       9.18138216       6.39237734       6.27289729       3.75820740      -0.58249080       0.59644085 
O       6.00944881       9.34227790       6.47120049       0.55474474      -3.46401212       2.77450394 
O       5.60088415       5.54615451       8.42711023      -2.38131832       3.21023915      -0.11746204 
O       4.38176349       6.79902657       5.74573960      -1.35060652       1.29579894       0.25775210 
O       6.51112276       6.64603721       0.57440316       0.48758000      -0.85050745       1.98731888 
O       9.52739264       7.12491055       3.76228994      -0.57346708      -1.49362730       0.37141121 
O       9.62097983       1.70009792       1.15763802       1.73252256      -1.16250281      -1.74580082 
O       8.98860449       9.40996125       3.81122382       1.26743375       0.94364198       2.58432414 
O       8.76388973       9.25356974       1.61050317      -6.24940377       1.99508260      -5.46228865 
O       6.83279252       3.57443065       3.43850286       0.01754140       0.43083613       1.18420676 
O       6.98578356       6.28270088       3.95210369      -1.11024705      -0.18523851      -3.45884204 
O       6.54556839       8.88708685       3.86987525      -0.57320556       1.28562756       0.47747002 
O       9.01982360       0.94861335       6.44514918       0.32332006       0.36409395      -0.25290028 
O       1.74949388       6.45358211       6.15525982      -2.33868234      -3.55104793       4.47771653 
O       9.51031536       4.31540506       3.69355526      -1.49378917      -0.07400726      -0.65384556 
O       3.29921868       7.14213990       8.17888463       1.18247293       2.06812089      -2.06518265 
O       4.20464357       0.27332094       8.59019959      -1.18276897      -2.20970672      -0.32418258 
O       3.78352806       2.74930004       9.07843505       1.30398280       2.42260564      -1.90927460 
O       6.91670434       6.47577035       6.34288069      -2.97101822       1.10072837       1.76526886 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.037366183273918364 0.018450019546059775 0.0013510922965029452 0.018450019546059775 -0.016784925794618114 0.012674512133288022 0.0013510922965029452 0.012674512133288022 -0.011554492307319031" pbc="T T T" energy=-929.28360031 free_energy=-929.28365594 config_type=crystal 
Hf      10.35210617       0.23494296      10.31197133       3.11881609      -3.59269840      -4.00660133 
Hf       5.22122034       2.58570171       2.65065600       1.27112996      -1.89972307      -2.31913934 
Hf      10.08629588       2.68421105       7.65327311       0.99523213       0.64855652      -0.35076984 
Hf      10.07999555      10.19692173       5.46742828       0.00153612       3.45419479       0.35034951 
Hf       7.30849126       4.84614554       7.66502990       0.58849056       3.54945508       0.24104368 
Hf       7.87375471       7.77325218       4.97787470       0.33493991      -4.43586975       0.36387345 
Hf       7.70073408       2.51142037      10.28066253      -0.24636616      -0.01665642       3.07961042 
Hf       7.69541631       0.06225086       2.79984205       3.46139187       0.23571821      -4.09660153 
Hf       2.49278896       2.61427674       5.44580898       1.72027752       0.35022108       0.21113063 
Hf       5.08393048       2.06148649       7.95777286      -0.77799119      -2.02922314      -2.08205897 
Hf       5.26373352      10.19871847       4.83032713      -2.12411934      -1.27750800       3.39040923 
Hf       2.44582890       2.54634252       0.02768226      -1.64156143       2.52689433      -0.85141354 
Hf       2.45775493      10.11284947       2.57071464      -0.13458239       2.67196301      -1.99043465 
Hf       0.08342461       2.53245492       2.73575541      -1.84640273      -0.23473075       0.14774926 
Hf       2.30197925      10.23422369       7.18533862       1.54814339      -1.33358405       5.82501466 
Hf       7.65674286       0.07899417       7.81263670      -0.18660236      -2.33924199      -0.61968855 
Hf       2.30742785       5.27161164       7.81547597      -2.02220552      -2.30418908       1.59413168 
Hf       4.84224007       4.81549443       5.27065513      -0.18733537       1.82937633      -0.93094107 
Hf       0.43142294       5.18550475       4.93744283      -4.83146794       1.15523772       1.94322749 
Hf       2.35421051       7.88982189       4.99717270       3.89477219      -3.38943143      -0.80813431 
Hf       4.98324889       4.83278104      10.33904792       4.07638038      -0.10832160       1.35920612 
Hf       5.27772338       7.37861741       2.66032049       2.83387569       0.19476541      -2.05907879 
Hf       5.11367595       7.54911861       7.47879820       1.66025474       0.50489628      -1.71391817 
Hf       7.54479231       8.11370678       0.00238064      -0.45991735      -3.69150411      -3.01576845 
Hf       7.91711052       5.21141068       2.21987432       0.51142149      -0.06035332       1.84252755 
Hf       2.90947047       5.42301914       2.48191573      -3.53525646      -2.23058667      -3.11965576 
Hf      10.17658015       8.11706633       2.05191337       1.95878975      -1.33070536       1.68608434 
Hf      10.37235565       5.18411107       0.06107907       3.01873854      -2.04018987       0.34962486 
Hf       7.63078983       2.68982408       4.95637179       1.25394502      -0.96494696       0.32518317 
Hf       9.89643452       7.46229207       8.06523185       0.50315224       1.65298243      -2.49318064 
Hf       5.14813602      10.12468580      10.38715068      -2.78907636       2.05875959      -0.77861971 
Hf       2.58153857       7.39280089      10.05288442      -0.44870814       3.42239650       0.27665558 
O       1.06667648       9.55189464       1.14023315      -3.32532478      -1.07989441      -0.46440063 
O       1.65762901       6.22305453       3.73347419       0.93306637       0.76319792       1.36224483 
O       4.22439172       1.72955849       6.10320712      -0.54859094      -0.70642173      -0.99592368 
O       1.02916186       0.82491187       3.64291874      -0.01549376       0.22663865       1.33294921 
O       1.68320976       4.27277351       1.42240567      -2.46777545      -2.16672263      -1.68022255 
O       1.27817505       1.00411582       9.06974978      -0.13185120       0.80041765       1.29826256 
O       3.94131732       3.39068866       4.09975864       0.08098036       0.17619830       1.54810400 
O       4.13462207       3.59792455       1.40740645      -2.30950566       1.73398246      -2.43334350 
O       3.80373316       1.09181598       2.99957294       0.21331826      -1.97225728       2.82648987 
O       1.54022232       3.76829450       4.07696273      -1.61310167      -2.13254474      -1.03233649 
O       1.99952366       1.29983725       1.34433839      -0.90453859       0.18596789       0.46256452 
O       3.88744204       6.48593198       0.97979248       1.64408050       0.76888894       1.64336331 
O       5.16610753       1.22795853       0.94306909      -0.70102380       2.99541672       0.75056636 
O       9.03857704       1.59847112       3.99948888       0.66462198      -1.85032932      -1.42185865 
O       1.07837686       8.80598050       6.01872500      -2.33777351       2.97083968       0.62427676 
O       6.25762700       0.85895423       3.57832188      -2.45794831       2.46607841       3.39259698 
O       6.36822690       9.04593614       9.32541037      -0.52981352      -1.49141027      -3.88189890 
O       1.35637891       1.38899211       6.64151455      -1.44807796       0.06825192      -1.89707444 
O       3.42825112       5.17754834       9.43914112      -4.06957693       1.56259307       0.10161305 
O       1.18149991       8.74253586       8.56515711      -0.00157079       0.32621247       0.09464809 
O       9.25517505       3.83454094       1.04267477      -0.29509761       1.00560360      -0.28578426 
O       3.80192408       9.54815748       6.04091062      -4.60345219      -1.31817996      -2.19440187 
O       8.94791191       9.14149212       9.29804450       1.86335247       0.05068922      -0.22263491 
O       1.36102350       6.79813496       1.04599915      -1.57209784      -0.28290117      -0.05958103 
O       1.53509786       8.46531082       3.24979613      -1.50077039       0.87311015       1.20683017 
O       4.62313489       5.43538663       3.28832514       0.29370422       2.51732179       0.92635843 
O       3.42910631       9.28601998       0.14875066      -1.77278368      -2.83615061       0.70185761 
O       3.98320934       8.57500842       3.62354633      -0.25347888       0.76394559      -0.16195641 
O       0.92344465       3.70068358       9.27541071       0.66669812      -0.83053874       0.40000385 
O       6.51308528       4.42430252       1.19996124      -0.08427000      -4.42188201      -0.75881819 
O       6.82427471       1.23088677       6.37601888      -2.41027599      -0.37978389       0.13880350 
O       6.21754993       3.61340720       9.15104086       1.43869551      -0.60998994      -1.05845837 
O       3.32466651       3.99878943       6.72878529       2.13952226      -0.46328375      -2.29347977 
O       0.73332990       4.16821366       6.66592257       1.69975826      -2.93189649       1.11202471 
O       8.78986266       3.71920028       9.01076123      -0.29899440       0.71726814      -2.25364520 
O       9.04677260       3.59076137       5.78498042       0.41786417       0.39076490       4.44833480 
O       6.18679385       3.84157622       6.27178432       1.02512363      -1.16043367       2.03849139 
O       6.39814139       0.97780170       9.27977093       1.74245887       2.14442731      -2.09885668 
O       7.44238724       1.92377694       1.89857088       0.14518250      -0.97851493      -2.55445719 
O       9.03506531       1.06712883       8.86946721      -0.68301701       2.66790340       2.13838799 
O       6.05473386       9.35737205       1.40837813       0.41662987      -2.66092581       2.26591561 
O       8.70146094       8.96295435       6.60559424       0.94707391      -0.08353161      -1.41175625 
O       0.75297715       6.19727795       8.88202121      -0.11349448       0.40860896       1.08925467 
O       8.34682925       6.71458140       8.90200140      -0.53498428      -1.75265746       0.48192352 
O       9.33820132       6.54031362       1.08323140      -1.18928503       0.61376430      -0.14133463 
O       9.55308130       5.94240494       6.39915494      -0.53915558       3.40021493       1.05684303 
O       5.89935715       9.10823504       6.69501882       3.84858129       2.78730730      -2.32596268 
O       5.66278241       5.99460428       8.43634844       2.07255155      -3.05097858       1.93086883 
O       4.23758321       6.80752607       5.88183139      -0.12499597      -1.70203265      -2.40162388 
O       6.73804871       6.51289385       0.76012316      -1.88385612       1.77706121       1.20795876 
O       9.39578248       6.86108706       3.61796774      -0.68575559       1.48089865       0.95120861 
O       9.75625295       1.49843507       1.03334834      -0.48777676       1.37626369       2.44300177 
O       9.30661495       9.53173402       3.89069577      -1.84245337      -1.85204240      -1.42528762 
O       8.32174020       9.05526330       1.36355224       5.58362376       2.82195703       4.92767194 
O       6.70640615       3.73000956       3.62778263      -2.74308125       0.30279684       0.40750485 
O       6.67428203       6.33433881       3.58327731       2.08055128       1.59613278       0.28347791 
O       6.51450439       8.80073128       3.86331755       1.15203350       1.14220438       1.07484931 
O       9.03968666       1.19371187       6.55597974       2.89399200      -1.82457793      -0.36491390 
O       1.87009831       6.21068767       6.29555599      -1.52428566       3.81649045      -4.69337926 
O       9.00715154       4.12436938       3.58014007       3.63208950      -0.04509461      -1.14761875 
O       3.40129490       7.26571370       8.23413036      -2.32579916       0.25989454       0.75720180 
O       4.00583653       0.21142467       8.11130814       0.65956968       1.19651694       2.32895781 
O       3.82239858       2.83011501       9.13320750      -0.06822194      -0.35078802       0.51787114 
O       6.83520519       6.39884315       6.27203561       0.68708103       0.83182519      -0.36467462 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03111346637620341 -0.0022058891723406183 -0.0035799363850010815 -0.0022058891723406183 -0.02393261399661038 0.010179444774232473 -0.0035799363850010815 0.010179444774232473 -0.03105408593164762" pbc="T T T" energy=-923.84648812 free_energy=-923.84797076 config_type=crystal 
Hf       0.26389885      10.44521318      10.01899717      -3.12099211      -1.01262751      -0.41446176 
Hf       5.56447611       1.93347722       2.29443658       1.72538066       1.77159987       5.27350177 
Hf      10.10922325       2.41860778       7.59183369      -0.44715770       0.56598724       0.79699513 
Hf      10.22519241      10.26752358       4.58320476      -0.55250306      -0.70041789       2.17860262 
Hf       7.34586763       5.09058521       7.58470348       2.56804384      -0.69935473       0.61939265 
Hf       7.63538009       7.68650978       5.17171982      -0.21579514       2.55198018       0.43044306 
Hf       8.00604685       2.40955117       0.27748115      -0.87172960       0.40427702      -0.39640803 
Hf       7.58698752       9.94221294       2.54041112       1.33348627       0.83321094       0.59200776 
Hf       2.77980043       2.65032390       5.42627884       4.46203327       0.42622417      -9.24238404 
Hf       5.21625151       2.39470413       7.70618310       3.86800648      -0.10298359       2.85231095 
Hf       4.65400348      10.17490200       5.16845845       9.94519009      -2.92227252      -3.54138451 
Hf       2.37237418       2.71320661      10.27071849      -1.99165257       0.81581066      -0.20723934 
Hf       2.78315537       0.01136567       2.37873334       3.66026548      -0.17921290      -0.00080630 
Hf       0.23698397       2.48112648       2.51341784      -5.10034389       0.33219291       0.10435955 
Hf       2.65018837       0.37837260       7.52092424      -2.50660654      -4.38347986       4.20395252 
Hf       7.92621496       0.01356932       7.79610879      -3.90140471      -4.54768072       0.62196409 
Hf       2.46079421       5.39280992       7.68001289      -4.35464616      -0.36999416       3.25886975 
Hf       5.00570747       5.49233521       5.45095856       2.33409268      -3.99933750      -0.85905598 
Hf      10.09217914       5.52627637       5.18077329       0.69942086      -1.08957111       0.68488785 
Hf       2.31483551       7.87213506       4.80440204      -1.29524081       1.95202649      -0.02066881 
Hf       4.63238492       5.28628986       0.35017331       3.39412928      -2.71032477      -1.49896821 
Hf       4.95309723       7.65630726       2.74257655       2.44094090       1.89022262       1.90050232 
Hf       5.06370455       8.13551751       7.98710302       0.45161259       0.09412002       1.07732415 
Hf       7.54327942       7.44288689       0.22260582       1.34543495      -0.81132260       0.07686414 
Hf       7.59298905       5.10429876       2.73468137      -0.56073214      -2.95576191      -1.58264478 
Hf       2.46225048       4.82314167       2.76398673       0.43828668       2.79338892      -1.34899265 
Hf       0.05560137       7.73074842       2.20388218      -0.98055321      -1.01242927      -1.89030356 
Hf      10.05419029       4.92978617      10.19078634       1.92501279       1.28676706       1.09990803 
Hf       7.47298957       2.25561106       4.97800385      -2.30698955       2.33229087      -0.02241495 
Hf      10.29038605       8.24511097       7.63070547       0.80353340      -3.28924681      -0.27839176 
Hf       5.42224872      10.43642439      10.09404820      -1.82089533      -0.07469904       2.68628000 
Hf       2.54134439       7.72201521       0.14661629      -0.33511433       0.34081481      -0.92272797 
O       0.66631524       8.56909774       0.36297954       0.90587126       1.56665848       1.11478820 
O       1.27563636       6.35624749       0.92293244      -2.68020937      -0.53443134       3.16346500 
O       3.29607117       0.72754062       5.74611869      -5.28365837       5.81136820       2.66989717 
O       1.19113300       1.39008866       4.15612833      -0.77825311      -0.02821928      -2.65019175 
O       3.52002588       3.88410374       1.21755052      -1.66337194      -1.32906379       2.07307707 
O       1.31039650       1.50630901       8.71162342       0.00754059      -1.64705110       2.24304808 
O       3.51665346       4.28802977       4.37796614      -1.62721386      -0.23489910      -0.94444238 
O       6.21492438       3.31916202       1.03912285       2.37337659       0.23405428      -0.83797423 
O       3.97008064       1.22643685       3.49401862      -3.30541719       0.89208256       0.25968718 
O       0.93443353       3.94295780       3.61176735      -0.42968968       0.43046955       1.67708312 
O       1.72570547       0.61158214       0.78837081       0.16524426       2.45197598      -0.13448723 
O       3.78270227       6.61885282       4.65579561      -0.34559574       2.09109632      -1.16708632 
O       4.48865447       1.19263280       1.04998258      -5.52695198      -2.05986052      -4.23040554 
O       8.22408710       0.66575299       4.27045786       4.22091972      -2.30371058      -2.58243864 
O       0.48968346       8.26672671       5.49454369      -1.12120561       2.45830303       1.76795279 
O       5.96980410       0.25522854       3.58792650       1.72307661       2.74264531      -3.43850659 
O       6.72635975       9.35076337       9.28238382      -0.22361250      -3.15607830      -0.85931236 
O       0.12050259       0.53214431       6.33557884       0.59595848       1.46547976       2.44359657 
O       3.64782906       3.33702081       9.05720175       0.89410111       0.03593241      -1.29456831 
O       1.31354777       9.39222250       8.41892933      -0.59518475       0.95648490      -0.31951518 
O       0.80290302       3.66032037       1.01409063       3.16457662      -2.02219653       0.61842183 
O       3.15421596       8.98034017       6.36985628       1.10416468      -0.26179510       0.70902984 
O       9.00432546       8.92186488       8.92751831       2.32535799       1.53704865      -3.26927553 
O       0.94858174       6.56251128       8.52965283       1.77486001       1.30567131      -0.74539242 
O       1.50446371       9.20445909       3.16915594      -2.86975917      -0.34241936       0.51814710 
O       4.15906044       6.29166403       7.22173954      -0.77079174       0.40547371       0.77571396 
O       3.80320326       8.92775809       1.25986558      -1.28638659       0.13462409      -0.38408946 
O       3.82664890       9.07315705       3.56044529      -1.34090162       0.26568553       3.45100324 
O       0.94699664       3.95038241       8.98501197       1.31084492      -0.01366761      -0.25446521 
O       8.97737698       3.99345156       1.44704268      -0.59155787      -0.97420437      -2.40653547 
O       5.89173880       1.43936782       5.84222625      -3.21794011      -0.82431995       2.28488647 
O       6.26142498       3.86627457       8.93710932       0.52855625       2.05940225      -2.91110822 
O       4.43506952       3.67515778       6.55813547      -3.11271569       2.17505344      -2.09494484 
O       1.77465379       2.76883625       6.82446635      -4.06443410       1.09907200       4.01667017 
O       8.98381987       3.50463732       9.35869204      -0.58450056      -0.19539868      -2.03856241 
O       9.53572018       4.28053974       6.65484127       0.32758606      -2.94545466       0.45517795 
O       6.97245810       4.10347539       5.99796906      -0.42925852       1.52144873       1.41682916 
O       6.35640334       1.28283889       9.02394895       4.97650104       2.62571372       0.40244288 
O       6.99337815       0.76388063       1.00239486      -0.54126546      -0.23099716       1.76034497 
O       9.02688043       1.06489043       8.98506043       3.85428341       1.00044130       1.96513004 
O       6.36487865       8.64862663       1.85205249       0.09189923      -1.30517197      -2.44143793 
O       8.35757887       9.56045306       6.02981990       2.34781738      -3.05587998       0.38546514 
O       1.26227752       5.97158178       6.14047443       3.44326026      -0.87105095       0.46630905 
O       8.99028421       6.58032465       6.41413406      -0.32142646       2.21841180       2.04115694 
O       9.11459996       6.45578744       9.40942318      -3.41965511      -0.52860066       0.18261349 
O       8.54385986       6.17661275       4.09360357       0.64628761      -0.11623689       0.73320039 
O       6.06759043       9.30247013       6.80996763      -2.17769191       0.60914867       0.85530950 
O       5.73395320       7.05415433       9.88835900      -2.21120318      -0.25704403      -3.48567490 
O       2.96770985       5.81406735      10.06141061       0.73021706       1.61635183      -3.95850350 
O       6.11952916       5.84968415       1.37428271       3.05046860       1.16722099       0.89505760 
O       8.79492798       6.45798670       1.80437100       0.61240159       1.27476499      -1.85194021 
O       9.49453725       0.95302747       1.12717740       1.45608235       2.05261088       1.09521161 
O       9.30920628       8.79421325       3.53921911      -1.85937927      -0.37362355      -1.39407276 
O       8.59123930       8.89527582       0.67798850       1.41105196       2.05232953       3.61589869 
O       5.79062296       3.35496448       3.84281835       2.10821705      -0.05187903      -0.57274984 
O       6.15353300       6.26363931       3.57721665      -0.40601207      -0.27968420       4.48353330 
O       6.18182597       8.85276954       4.44842282       1.21216604      -4.59455591       0.06005913 
O       8.11789180       1.62540442       6.81573408       2.47084090       4.14667446      -0.85636562 
O       1.16285699       6.68446878       3.67206658      -1.13835202      -2.22495690      -2.10247425 
O       8.65740316       3.12342262       3.56132090       1.39873922       0.89209139       0.39767972 
O       3.63431333       6.49359104       2.08619478      -2.29895730      -3.25001323      -2.58052276 
O       3.75917750       9.19886919       9.32419691       0.21338068      -2.66579777      -1.58334237 
O       4.52246574       0.63646302       8.45203371      -6.39304933       1.47015248      -4.16704783 
O       6.42610006       6.78778232       6.63357500       0.08881671      -1.74039063       0.34835332 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.030462495436757782 0.0019336997930059921 0.006023468995060748 0.0019336997930059921 -0.027185097675593295 0.011383914278372674 0.006023468995060748 0.011383914278372674 -0.03939906736279846" pbc="T T T" energy=-929.5936949 free_energy=-929.59374841 config_type=crystal 
Hf       0.24249809      10.43223561      10.01880815      -1.69303429      -0.00289567      -0.18573914 
Hf       5.55534613       1.97435590       2.25658515      -2.37960481       1.09632392       3.02468401 
Hf      10.14876989       2.42955271       7.60915504      -0.16453416       0.17979952       0.43282722 
Hf      10.27931543      10.31971548       4.58785270      -0.74044024      -2.53775766       1.90723978 
Hf       7.31543506       5.09791877       7.64344671       2.95631412       0.36090823      -1.04395878 
Hf       7.65001236       7.66167694       5.17546839       0.39625952       2.69872474       0.24056303 
Hf       7.98383600       2.41293165       0.20520220       0.36755716       0.65882230      -0.80254719 
Hf       7.57514094       9.97245335       2.55772221       3.40987527      -0.33068100       0.06452306 
Hf       2.78546714       2.66335621       5.42159354       1.33806487      -0.28362858      -5.10355130 
Hf       5.22191048       2.39987569       7.69916237       1.43216260       0.08917811       1.51968850 
Hf       4.70366623      10.17093793       5.16767589       6.20419162      -2.63669685      -2.37935694 
Hf       2.39343793       2.72253106      10.29286277      -0.49910759       0.04439076      -0.80754884 
Hf       2.79011026       0.00268845       2.36272947       2.59673017      -2.37093414       1.29526309 
Hf       0.24888927       2.48930393       2.53672754      -6.27678769      -3.36360217       1.39762845 
Hf       2.61696373       0.37627904       7.50883536      -1.01525638      -4.28652786       1.75540451 
Hf       7.87894092      10.46553759       7.76048719      -2.47395944      -3.41754892       0.29673331 
Hf       2.39519018       5.40680794       7.69963691      -3.17264495       0.28403164       1.34370694 
Hf       4.98977990       5.50339600       5.42776745       2.35239513      -4.17416065       0.02387607 
Hf      10.09357910       5.53677020       5.22477958       3.95700819      -3.42604005       1.14585886 
Hf       2.34594462       7.86394568       4.79091425      -0.71929922       1.36406508       0.03619983 
Hf       4.66304230       5.27868271       0.33418943       2.96775853      -1.22157406      -0.93986628 
Hf       4.96815987       7.62757021       2.70298323      -0.19100374       0.23771189       2.60963480 
Hf       5.05476527       8.09972279       7.96499715      -0.42385202      -0.53397819       1.12972429 
Hf       7.53446876       7.39657731       0.23978640       1.81988947       2.21072540       0.44193355 
Hf       7.58538306       5.09727730       2.75395739       0.58501118      -1.43702405      -0.33716901 
Hf       2.48757512       4.81850577       2.80375128       2.72284958       3.61468307      -0.61898301 
Hf       0.06318026       7.71759942       2.24535083      -2.33526912       1.38858472      -0.05176847 
Hf      10.08030398       4.95364283      10.21704552       0.27890878       0.61286666       1.04930648 
Hf       7.44799995       2.26570340       5.02986367      -2.43315182       0.56760377      -2.77008084 
Hf      10.25643098       8.23436239       7.65748157       2.97396684      -2.29498577      -3.08383913 
Hf       5.38669400      10.40663382      10.08760479      -2.62342289       0.61983127      -0.67264191 
Hf       2.51419161       7.74040998       0.15771203      -1.16251076       0.18255452      -1.69111217 
O       0.69556010       8.68800445       0.48617299       0.86400137       0.95809050      -0.18523403 
O       1.10834651       6.45551207       1.14033760       0.06469877      -2.40622326      -0.70580795 
O       3.34263247       0.81914175       5.76262431      -3.50815405       3.10308725       1.59049881 
O       1.22291989       1.29750528       4.13788324      -0.98482837       1.03566554      -2.32297846 
O       3.59005972       3.85023553       1.21124872      -2.57844740      -1.24162493       1.41160711 
O       1.36834910       1.41885448       8.62001528      -1.62007400       0.67692293       5.26241226 
O       3.48877977       4.22663661       4.52729516      -1.71291701       1.62532698      -4.06193395 
O       6.11380582       3.44158317       0.97951774       2.10016241       0.22079399      -0.78150318 
O       3.77179827       1.27958348       3.41243324      -0.26318977       1.63042171       0.15989161 
O       1.05718029       3.88190018       3.50025899      -1.71258950       0.33956067       3.90918456 
O       1.81089939       0.64969721       0.88256880      -1.97261660       3.15325168      -2.83468525 
O       3.80160779       6.58836614       4.54252882      -0.55770194       1.57162842      -2.14378261 
O       4.45153767       1.13225288       0.85276326      -3.46063458       0.90540706       0.18765452 
O       8.30497073       0.45560959       4.17405222       1.73848719       4.06109019       0.42950996 
O       0.71450183       8.27551413       5.66080388      -3.61225767       2.60878860       1.60904701 
O       5.93492915       0.20187468       3.37632861      -1.31443761       3.64969754      -0.61991182 
O       6.61094278       9.23920917       9.35111933       1.73713803      -3.17985692      -0.57981243 
O       0.05757247       0.39106328       6.42153732       0.50317082       2.27398654       2.16411761 
O       3.69376616       3.30471950       8.99176957       0.03627365      -0.14259715       0.15500470 
O       1.44041611       9.46317560       8.32611831      -3.20891817      -1.16100408       1.14812194 
O       0.79835001       3.52936958       1.13750293       4.01353595       0.91632856      -4.12760500 
O       3.13823763       8.94980262       6.29408831       2.72492106       0.94015839       1.16185696 
O       8.93705123       8.99064153       8.79143499       1.31139853       1.27130877       0.10492582 
O       0.98697459       6.73717719       8.39222409       1.26660316       0.20470965       0.24037640 
O       1.45875059       9.15110700       3.16081396      -2.19439172       0.80297087       0.03445956 
O       4.13874167       6.22565318       7.14376593      -1.29830051       0.83207483       1.53885483 
O       3.79109543       8.86319294       1.10635626       0.11531214       0.41877491       2.09629783 
O       3.73756951       8.97717341       3.61321723       0.84057689       0.78448976       1.05944767 
O       0.95217950       4.11901351       8.94796256       1.28627561      -0.98768196       0.77153906 
O       8.96264507       4.01036033       1.44564136      -0.71908140      -1.30272169      -2.37216827 
O       5.68608614       1.42653971       5.90406610       0.52189691       0.10391142       0.41556318 
O       6.38013220       3.96372619       8.85303790      -1.09029285       0.22441562      -1.54336757 
O       4.44529217       3.72197487       6.44764495      -1.18056675      -0.24197677       0.99997724 
O       1.83002815       2.75313579       6.96740921      -1.96475445       1.35873018       0.18629863 
O       8.93799738       3.54227451       9.25956708       0.52406303       0.54113243      -0.91296751 
O       9.63151197       4.16798685       6.62764182       0.14099445      -2.09622947       0.33488640 
O       7.02730005       4.15358390       5.90236210      -0.23834690       1.03317515       2.17989983 
O       6.44418786       1.27159317       8.92743583       2.62547087       1.41482293       1.27379075 
O       6.95973539       0.97722554       1.17097970       0.70010500      -1.24799066      -0.25417660 
O       9.06884508       1.09713773       9.00844631       2.00025353       0.28442377      -0.04245862 
O       6.34759425       8.64354173       1.92419559      -0.18729012      -1.63534915      -3.10117256 
O       8.38439411       9.40100061       6.02131936       1.42575900      -1.73246343       1.94922426 
O       1.37447717       5.94556490       5.97411941       3.46536037      -1.36477155       1.81720075 
O       9.10615248       6.62387691       6.34882842      -1.22697496       3.01443512       4.76984479 
O       9.06461851       6.38796730       9.34120198      -2.73991299      -0.13674412       0.40332851 
O       8.69669003       6.18360491       4.20066725      -3.29171184      -0.05507978      -4.71425580 
O       6.04765776       9.34638473       6.93947774      -0.95747753       1.07491910      -0.35461210 
O       5.84640226       6.92446419       9.63463550      -1.28252827      -1.19835805      -1.95124484 
O       2.95162633       5.90579051       9.93137268       1.62839455      -0.05438857      -2.09870440 
O       6.26767047       6.01725450       1.34604636       0.48606767       0.23239796      -0.05788215 
O       8.78110695       6.47235606       1.74636229       0.03350321       0.54659665      -0.88733170 
O       9.60610715       1.03372690       0.93500122       0.53487777       2.36956185       1.64830072 
O       9.22344676       8.91258053       3.63126787      -0.22204204      -3.08792468      -1.97541161 
O       8.58627675       9.03217580       0.93352298       0.10985811      -0.95907174       0.17707090 
O       5.76462000       3.33732862       3.77672932       2.09097852      -0.41101044      -0.61832167 
O       6.13629203       6.22082732       3.71725566       0.61018080       0.05992229       1.88683254 
O       6.23640029       8.89510197       4.55870433       0.29011156      -3.52449193      -0.56792248 
O       8.10954835       1.60238537       6.68011620       2.55859269       2.15878585       1.47221611 
O       1.20584314       6.73183263       3.62369191      -1.40108324      -3.38051587      -1.62360961 
O       8.62012936       3.18335062       3.65313155       1.32495603       0.53917180       0.14682398 
O       3.68025733       6.32335422       1.90473568      -0.07527910      -0.40233738      -1.51864210 
O       3.71250767       9.10114189       9.24741855       0.87852451      -2.46927582      -0.70681413 
O       4.49348232       0.50270509       8.28550705      -3.02915963       2.68255118      -1.32240626 
O       6.36819110       6.75746268       6.54152404       0.96176129      -1.23399544       1.06709307 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015569291466470512 0.0008487305284238985 -0.0005980628774382875 0.0008487305284238985 -0.022297405339844544 0.010667819882096235 -0.0005980628774382875 0.010667819882096235 -0.022912166220269942" pbc="T T T" energy=-932.79644252 free_energy=-932.79646501 config_type=crystal 
Hf       0.17190357      10.41631924      10.00812007      -1.04450568       3.47536018       0.02406626 
Hf       5.47674529       2.10560404       2.19496634      -4.69708246       3.66603025      -2.66129889 
Hf      10.24774455       2.44381427       7.66528213      -0.32857908      -1.53607119       1.68671962 
Hf      10.39705840      10.39686938       4.63998997      -1.26698885      -3.20182261       3.71251174 
Hf       7.30440818       5.15325137       7.75967731       1.55339394       0.50717957       2.65022276 
Hf       7.70376980       7.62310774       5.19088207       1.38754831      -0.74622646      -0.26822711 
Hf       7.94946604       2.43342541       0.01015933       3.41317825       1.43310229      -2.35038007 
Hf       7.58892241      10.03314088       2.60480797       0.26013840      -1.06403965       0.52752804 
Hf       2.79184671       2.71952569       5.35653878      -1.86720638       3.58039924      -0.98353987 
Hf       5.24554975       2.42377934       7.70838069      -0.64232377       2.28044500       2.50371476 
Hf       4.88810516      10.13025884       5.14884248      -0.41937551       0.46846516       1.31268271 
Hf       2.44093543       2.73365579      10.33059845       2.62278173      -2.75752131      -2.99060749 
Hf       2.82627412      10.42243799       2.33040409      -1.40558974       3.00487819      -1.38289859 
Hf       0.19414958       2.46924640       2.59854426      -2.73984902       1.46153405      -3.86672450 
Hf       2.49507436       0.31805672       7.50332083      -4.32516061      -1.75887888       2.63205181 
Hf       7.74509779      10.39326995       7.67158969       2.16704776       1.42264989      -0.41077740 
Hf       2.20349681       5.44191430       7.76318129       1.69476092      -0.94298707       0.36032176 
Hf       4.96873143       5.47495044       5.38432434      -1.26345114      -1.87506316       2.53926317 
Hf      10.14861708       5.52309736       5.35715775       1.88793095      -2.19491136      -0.33594075 
Hf       2.38736042       7.85590355       4.77259296      -2.33341720      -0.35445644       2.29769050 
Hf       4.78263716       5.22805728       0.26041706       2.33465352      -4.04798126      -5.21351858 
Hf       4.99547414       7.55269711       2.64409829       0.13131596      -0.05431369      -0.35295662 
Hf       5.02794730       7.98996668       7.92086684       1.87269640      -3.50444195      -1.77216785 
Hf       7.54090882       7.32582642       0.26866327       1.19367843       2.71282562      -2.77885865 
Hf       7.58014106       5.05977313       2.79447446       1.19278054      -2.58166438      -1.41238666 
Hf       2.57428298       4.85718372       2.88503734      -6.09348525       3.27463185      -9.56277809 
Hf       0.03101711       7.72038238       2.35211256      -2.79056087      -0.81209213      -1.16894395 
Hf      10.13882124       5.01709187      10.29141969      -1.93542295      -0.87210692       1.09030410 
Hf       7.35786011       2.31273495       5.11006427       1.63747479       2.95062759      -1.11741717 
Hf      10.21569810       8.18645148       7.66995121       0.53368654       2.50309343      -0.29402595 
Hf       5.27257380      10.33289494      10.04651124      -0.99882375      -0.34519694      -2.11707484 
Hf       2.42981813       7.77639183       0.14771555       1.18034843      -2.81317015      -3.37299475 
O       0.92455941       8.96635712       0.77466647       0.39169472      -2.01803761       0.31872825 
O       0.88059415       6.19447322       1.20215003       0.74204609       1.40389102      -2.87960210 
O       3.20803431       0.99424232       5.87090008      -0.06994415      -2.28702424      -2.26018725 
O       1.11011980       1.23053678       3.76629745      -0.68636043      -1.36460149       1.05869005 
O       3.48829728       3.65274765       1.37391880       2.81594556       1.38370127       0.57656554 
O       1.32222257       1.34809031       9.15310845       1.19754602       0.77796997      -3.20826888 
O       3.36143699       4.36755730       4.27455967       6.94864981      -3.49378461       7.25607601 
O       6.16046069       3.73595646       0.75287992       0.22924666      -1.40025293       1.02632705 
O       3.35711466       1.64790204       3.25060883       1.68404510      -0.59006129      -0.04143738 
O       1.07530670       3.78354480       3.78635550       0.06670645       0.47694589       0.44557145 
O       1.77062828       1.08553270       0.85762544      -0.38123377      -3.60860861       3.85937916 
O       3.82813908       6.63230786       3.97858160      -0.66279656      -0.71414597       1.83079726 
O       4.00210062       1.13246314       0.46883385       3.30484865      -1.08307146       0.64767906 
O       8.66185046       0.71065739       4.06824522      -1.11895028       0.96116632      -0.31215569 
O       0.85120966       8.61048758       6.07141311       1.26491005      -0.20925779      -4.47388823 
O       5.58594093       0.40236102       3.01340810       0.57947484      -2.92639619       2.75548378 
O       6.49646925       8.70480709       9.52850928      -1.36890724       2.55846689      -0.22316935 
O      10.45202416       0.42643245       6.74684974       1.76426630       1.65121073      -2.71531591 
O       3.83699631       3.21569400       8.89315568      -0.63187858       0.38443950       0.88963878 
O       1.23935758       9.40491047       8.39426793       0.28691787       1.31089285       2.73474487 
O       1.19488461       3.42935415       0.97266510      -5.63886380       3.69204314       4.26692121 
O       3.54871656       9.03238890       6.23479949      -0.07465858      -1.13988317       0.25037984 
O       8.93835040       9.32552811       8.69217125       1.55991749      -1.74050555       3.22854384 
O       1.26410764       7.05961622       8.19561799      -0.86984635      -1.46821135       1.42166563 
O       1.15471460       9.19058792       3.21534684       1.72667886       0.28865811       1.82258345 
O       3.96719772       6.24159551       7.10586939       1.55272055       1.39526739      -1.87278479 
O       3.83988823       8.81728714       1.13693619      -0.55313890       0.55000954       0.92982068 
O       3.74238720       9.00027703       3.73115707      -0.23894463       1.32705000      -1.13161288 
O       1.08091669       4.37610787       9.05953550      -0.56482296      -0.96279915       0.68611415 
O       8.83887650       3.88393617       1.14242466       0.34002685       1.55143156       0.73085887 
O       5.47295966       1.41855745       5.97286703       4.14282150       0.53658584      -2.81608689 
O       6.23049170       3.87308890       8.68044084       0.71251208      -0.24785824      -0.90726682 
O       4.34884582       3.70218056       6.37100839      -0.35113620      -0.28151992      -1.01188709 
O       1.77307779       2.88972577       7.11953710       0.66381750      -0.83323963      -2.46814578 
O       8.91925618       3.71902329       8.95764631       0.39159321      -0.13519604       0.00174651 
O       9.87359182       3.88117247       6.41634504       0.14139765       3.35054659      -1.80777387 
O       7.09559881       4.30219274       5.92831074      -0.88989857      -1.81122003      -0.20263622 
O       6.82424017       1.37838211       8.94136174      -2.91960326      -1.99763372       1.00831269 
O       7.12173563       1.25316324       1.38732359      -0.02623102      -1.56693090      -0.24508404 
O       9.31284444       1.18147720       9.00984156      -1.62224858       0.05402764       0.16633948 
O       6.34022123       8.54057891       1.68882059       0.96536295       2.66458552       0.49322511 
O       8.59562537       8.94653194       6.30988830      -1.36953060       2.92978857      -0.33253332 
O       1.90233076       5.71558648       5.77146040      -2.99918203       0.96212259       0.33968572 
O       9.26846785       6.86542216       6.65149921      -0.97538893      -6.22524672      -3.21705758 
O       8.61934188       6.21080876       9.28060289       0.98546646       0.65628061       0.75475015 
O       8.70641994       6.14924280       3.91379708       2.12035139       0.48135144       3.07321030 
O       5.94576365       9.64723712       7.10546529       0.69779960      -1.24084535      -0.78496037 
O       5.99409656       6.36227006       8.90416518      -0.41616842       0.12333340       2.21055075 
O       3.18077876       6.12314921       9.46060792       0.98103580      -0.41335191       2.71628955 
O       6.42118503       6.24779150       1.36597014      -3.73431578      -2.84613815       0.95048352 
O       8.80596794       6.53668175       1.52395460       1.52332542      -0.51905664       0.72991010 
O       9.85830249       1.57769655       0.82699946      -1.84079412      -0.84723654       1.53705769 
O       9.04870570       8.68118101       3.64210625       0.11189067      -0.03301948       1.57049062 
O       8.67619114       9.17589861       1.34409117       1.50331924      -0.49182232      -3.21804982 
O       6.02964533       3.27060806       3.57643377       1.15381202       0.99455567       1.13377512 
O       6.26859244       6.15798198       4.04368032       0.25826617       0.45286540      -2.94845154 
O       6.20259363       8.74479886       4.61113058       0.22936738       0.31969256      -1.77117528 
O       8.41168620       1.74128200       6.65781399      -2.03371180      -0.42158073      -0.21125039 
O       1.18185534       6.42891893       3.50092192      -0.64012725       2.29844024       1.63644970 
O       8.71363962       3.40351928       3.86255718      -0.21517821       0.07728132      -0.87455761 
O       3.74327097       6.13268737       1.48563072      -1.25762643       3.98737168       3.08927181 
O       3.71114308       8.60677711       9.07604122      -1.11711238       2.33087416       2.51698918 
O       4.30937674       0.61056148       7.99843739       0.71402285       0.02168684       4.41414788 
O       6.37499958       6.59069561       6.48339121       0.63217059       1.63660511      -0.08942964 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03810869907058876 0.004518259058346135 -0.0022985347259412464 0.004518259058346135 -0.038124009274021736 0.02426405751108062 -0.0022985347259412464 0.02426405751108062 -0.06251609607808853" pbc="T T T" energy=-924.01398827 free_energy=-924.01425271 config_type=crystal 
Hf       0.19743283      10.20292232      10.43224545      -0.65971534      -0.86712729       1.68255311 
Hf       5.09185089       2.09064721       2.62134352       0.48375805       4.72280070       1.97653592 
Hf      10.06093953       2.91813261       7.68307624      -1.00934714       0.51376750       2.90595551 
Hf      10.42743508       9.90574253       5.03364332       2.65027108       2.88669487       1.38117721 
Hf       7.44350660       5.32687422       7.86357549       1.30772691      -0.78805987      -4.04239224 
Hf       8.14035080       7.81849579       5.27040939      -2.11630567      -3.63351520       0.80764212 
Hf       7.92344341       2.73271195       0.33334512      -4.70943672      -3.17056779      -6.09506409 
Hf       7.93586626      10.13741417       2.63206740      -2.69462518       0.56706153      -3.37423737 
Hf       2.34150297       1.94525997       5.63388931      -1.42896407       4.34988991      -0.46986228 
Hf       5.35499721       2.38743735       7.90967449      -1.80654784       1.54909535      -0.30742197 
Hf       5.23613321      10.03094549       4.95284970       0.39795078       0.22174052      -1.33020751 
Hf       1.97944687       2.66062966      10.16846435       8.05086801      -5.90550004       4.10501935 
Hf       2.11284790       0.49199063       2.74862120       4.21498138      -9.82429017       4.78293770 
Hf      10.39270268       2.56228359       2.37479135      -2.67734855       3.10260684       2.34911465 
Hf       2.56890399      10.40329960       8.06567415       0.00559954       0.90094620      -2.22105788 
Hf       7.44762452       0.05775270       8.08674617      -0.55740438       1.43394673      -1.26408060 
Hf       2.54387093       5.03670458       7.03438849       1.04928141       0.70642953       1.54723093 
Hf       5.25314466       5.07615923       4.85619435       0.84436432      -0.63001542       3.24320793 
Hf       9.74310762       5.07819616       5.15396443       0.06463545       1.36172345      -1.75253678 
Hf       2.56916909       7.78303839       5.08085457      -3.54188786       6.47415874      -5.31834306 
Hf       4.90234851       4.91352233      10.29412238      -0.08851585      -0.75318258      -0.68291304 
Hf       5.11475020       7.87598432       2.11699147      -1.59145781      -0.46000423      -2.21670051 
Hf       5.14110409       8.20670933       7.76176469       1.00952538      -4.58447443      -1.55049787 
Hf       7.76774183       8.03740996      10.10017752       4.24975131       2.61365489       2.46730930 
Hf       7.41323175       5.28330887       2.38236302       2.46803567      -3.54832699       3.13253050 
Hf       2.44078085       4.79956896       2.43897637       0.18797219       2.08417632       2.49983077 
Hf       0.00040619       7.73516066       2.24186287       2.33442578      -0.91928777       1.27257172 
Hf      10.22982600       5.43365720      10.32295687       0.57485057       0.74235289      -0.91593962 
Hf       7.70480533       2.03709459       4.83730913      -0.09931801       4.09938411      -0.36991702 
Hf       0.39025875       7.74180596       7.72282080      -4.94134559      -1.91718154      -1.05219056 
Hf       4.89919002       0.12615361       0.29960733       1.26955488       0.78601159      -2.78807715 
Hf       2.53720752       7.49217516       9.81868007       4.45359153      -1.47205540       3.02500246 
O       1.24808681       9.13434957       1.54041343      -0.06107826       3.34198776      -3.31269761 
O       1.22489801       6.71831281       0.63379204      -1.76276751      -1.16979303       1.70160429 
O       3.59410512       1.51718098       6.90050549       1.16390750      -2.45761843       3.82937937 
O       0.93365788       1.56271000       3.84198492      -1.04334815      -0.06902736       2.11568821 
O       3.78448498       3.33956117       0.59402059       0.23319464       1.50527541       0.22976763 
O       1.20126658       0.95727016       9.26090194      -0.37118405       1.97511882      -1.35339553 
O       4.07840926       3.89829590       3.23651379      -2.66140584       0.45344201      -0.33910251 
O       6.45830121       4.02965791       1.00789841      -2.40549878       0.81568446       1.28069402 
O       3.53869674       1.08879135       4.31661830       1.23524036      -0.08403893      -1.36346123 
O       0.89228343       4.35077443       4.09946380       1.73203591      -1.20626951      -1.20739119 
O       1.41218427       1.47700302       1.48495974      -1.40432948       1.85604179      -6.13450478 
O       1.78424481       6.52732695       3.13474580       0.28129943       1.60549819       0.80585040 
O       3.88227477       0.69430050       1.89736025       0.70820535       0.62559687      -0.50913795 
O       8.89446071       0.82715886       5.65714720       0.65267118      -0.73957894      -0.83154897 
O       1.73286089       8.80575171       6.52514580      -0.37451802      -0.49755338       0.15270241 
O       6.29926668       0.91473458       3.95275950       0.46315167       2.68318595      -2.21410893 
O       5.84328166       9.48658231       9.39672716       3.44164397      -3.29374461      -4.40206405 
O       0.99996984       0.57804006       6.45839719       1.04021865       1.70878224       0.44237398 
O       3.42845730       3.83379439       8.27478924       2.45702946      -1.91686013       5.32885434 
O       1.33256883       9.03827917       9.13440180      -2.48602695       0.20559513       0.81644498 
O       1.15991201       3.77177430       1.39176608      -0.11935721       1.88627622      -1.73117458 
O       4.08426426       9.64140200       6.33196267      -1.27393341      -3.03238342       2.92455920 
O       8.85475142       9.31969823       8.76020417       0.21880798       0.03022804       1.65712470 
O       1.46729112       6.34375598       8.66950272      -0.33828799      -1.60695021      -1.70731303 
O       1.34216728       9.08347002       3.74442434      -0.59649896       0.83615739       2.82568944 
O       3.32513539       6.33454290       5.62304602       2.64472534      -5.82685010       1.09185295 
O       3.91884189       8.91539112       0.35256829       0.47934023      -0.55616186       2.65214016 
O       4.01397578       9.07991811       3.47167015       1.19004234      -1.63305015       1.17532731 
O       1.00101186       3.74861606       9.34017608      -7.15641250       6.17629849      -4.46958493 
O       8.69631199       3.97711905       1.34860556       5.06720456       3.27535731       1.66752061 
O       6.25105842       0.86009348       6.52992498       0.12998613       1.24657332       0.22431216 
O       6.65625651       3.92638143       9.15212369      -1.91177244       0.17779424       2.98781983 
O       3.68452523       3.71138192       6.08361408       1.15483248       1.13208815      -4.38854585 
O       1.35734798       3.43967026       6.89808863      -2.18053152      -1.33644337      -1.70696008 
O       9.04263143       4.43241330       8.88736305       1.25191038      -0.90645631       1.25216659 
O       8.88883408       3.92478983       6.53843347       0.19871211      -1.45674205      -0.87471760 
O       6.35545792       3.76380314       7.08739571      -0.75288348      -0.62728971      -4.80500985 
O       6.44429953       1.32281967       9.36143241      -0.98802132       0.16856112      -0.80004936 
O       6.45882976       1.48429806       1.29103005      -0.00934088      -1.36090601       1.02474656 
O       9.72676768       1.67373607       0.54754449      -0.73360828      -0.28146892      -0.82068062 
O       6.77675188       8.96398558       1.19275526      -1.88706775       1.08074481       2.21304483 
O       9.65737625       8.61131358       6.15770033       0.44437553       1.93116773      -0.60481230 
O       0.50033899       6.33907790       6.29710111       3.96758297      -1.06387919      -1.85977011 
O       8.96227237       6.84065212       7.21458244      -4.12076110      -2.02561452      -2.05836803 
O       9.68954956       6.94755074       9.27372806      -1.18560176       1.38798004       2.97880519 
O       7.41611006       5.58562883       5.25267745      -0.36166384       1.05979264      -0.31873159 
O       6.78966309       8.65767078       6.58639588      -0.38825975       2.08332593       0.93514769 
O       6.98648878       6.67994424       9.23189749      -3.74194245      -1.80020244      -1.51261367 
O       3.87710028       6.30772650       8.59148557       1.71657641       0.48814885       1.53014793 
O       6.42787545       6.47521082       1.40321976      -0.31498771       2.83832030      -3.60593034 
O       9.21230057       6.52783980       1.30883724      -1.98234191      -0.74032905      -0.74332859 
O       8.82099332       1.46247980       2.84577747      -2.36830092      -1.07574637       2.01762895 
O       9.28141894       9.19435857       3.51799114       1.35616467      -1.60668157       1.45128608 
O       9.20935402       9.33373005       1.04349563      -0.79821056      -0.55571631       0.19873506 
O       6.29515231       3.53879920       3.56371546       1.77399391       0.04025379       1.88875390 
O       5.38780812       6.41621149       3.40631093      -0.63819806      -0.31345869       1.77855106 
O       6.86499932       9.19690741       4.06184734       0.31872182      -3.07865415      -0.28179958 
O       8.56908267       1.69174526       8.22012428       1.30725545      -0.44678431       0.23051167 
O       9.11038490       6.57852499       3.79797089       0.72486934       1.90078783       0.26228004 
O       8.91217768       3.99932864       3.72042461      -0.52099372      -3.18384193      -0.03447558 
O       3.85404900       6.43788658       0.79562315       0.66785082      -1.37639344       1.33664954 
O       3.45335534       8.68828777       8.46747900      -0.14618410       1.68324356      -0.56917754 
O       3.61701762       1.05279663       9.56634731       0.43039894      -0.33271390      -0.84185050 
O       5.45373315       6.40725954       6.54930367       0.81219223       0.61164887       0.97539976 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01122818395703306 -0.003539504413170376 -0.0017456260462741615 -0.003539504413170376 -0.018696486149599918 0.024760841748016103 -0.0017456260462741615 0.024760841748016103 -0.030004748468989772" pbc="T T T" energy=-922.33121313 free_energy=-922.35101663 config_type=crystal 
Hf       0.13787994      10.19021164      10.42332814      -1.46016920       1.02212119      -1.10216191 
Hf       5.10659839       2.08853272       2.52848446      -0.39912826       5.50386763       2.67306888 
Hf      10.05894394       3.00887907       7.57126237      -0.20076768      -3.29978660       6.24599787 
Hf      10.44425887       9.98624090       5.09271068       0.40387655       6.40374016       3.15313742 
Hf       7.55321048       5.23466093       7.91939728      -3.12791351      -0.17608960      -1.56070381 
Hf       8.09721279       7.67240281       5.27279516      -2.97993525       2.28695175      -2.66170113 
Hf       7.91014307       2.71773576       0.46143812      -2.67463111       2.12286387      -4.55204525 
Hf       8.00100371      10.06758096       2.62493343      -2.48633130       0.15062927       1.40210766 
Hf       2.47281799       1.91561027       5.61390191       1.02422928       2.68006402      -1.78276473 
Hf       5.33232659       2.37161685       7.92852506      -0.34487347       3.42090225      -0.87976219 
Hf       5.38640126       9.93543179       5.04078535       1.57284672       2.14136971      -0.83425148 
Hf       2.01153247       2.64288934      10.26263231       1.93552567       2.64901232      -2.82851484 
Hf       2.16641046       0.41100328       2.77975448      -0.18669928      -2.90099666      -0.75294266 
Hf      10.33589403       2.58324802       2.39151215      -0.79182234       3.31483393       2.49670933 
Hf       2.51123930      10.46600177       7.92258235       0.59658977      -0.19266442       1.15098927 
Hf       7.42256875       0.13156244       8.13329825       2.64817003       0.39131295      -3.48443416 
Hf       2.42352575       5.05817840       7.00763573       1.42400442      -0.73543061       1.52985694 
Hf       5.28335859       5.06513172       4.86027690      -0.20884534      -2.31395532       5.46786182 
Hf       9.78442545       5.04829224       5.11890790       1.94127572       0.07439433      -3.16289549 
Hf       2.46498843       7.90205112       4.89555626       0.75024057      -3.17684613       0.79508575 
Hf       4.78580486       4.78719268      10.45642185       0.40993986      -1.19178577      -3.64863539 
Hf       5.13613296       7.77845357       2.14428345      -0.97023297       2.14221159      -2.68541380 
Hf       5.19274694       8.22103076       7.75709834      -1.13442091      -7.20092156      -2.87893438 
Hf       7.71791571       8.06971588      10.09455110      -1.04668658      -2.14212896       0.33712562 
Hf       7.50241288       5.34426842       2.37187620       1.31312043       0.14047394      -1.39901721 
Hf       2.42416984       4.89403353       2.50093209      -1.58083980       0.65420492       1.18826741 
Hf       0.07610550       7.75091668       2.26272326      -0.41173774      -1.96872684      -0.62599893 
Hf      10.26012910       5.50701427      10.28824686      -0.10558472      -0.85769436      -0.66341153 
Hf       7.74093141       2.10366695       4.86323203      -0.44394921       2.16718981       2.21352756 
Hf       0.34648878       7.74109489       7.62489034      -4.13584428       0.73577121      -1.28647039 
Hf       5.00780521       0.19218560       0.27441508      -3.56861838      -5.66889865      -4.83718291 
Hf       2.52804718       7.45431494       9.88432554       4.17402907       0.10082616       0.90252338 
O       1.28330296       9.02096891       1.09065455      -0.38196378       0.45646104       1.58703141 
O       1.26030108       6.43850952       0.94750749       0.64480016       3.06198524      -0.90338539 
O       3.80646348       1.33327760       7.12564685      -2.20541861       2.07834085      -2.95926132 
O       0.93547388       1.54627974       3.96446060      -0.49060972      -0.28978532      -2.79085583 
O       3.83047597       3.03761328       0.61289094      -0.07228335       0.94734493       2.72764968 
O       1.08320879       1.18315754       9.35599344      -0.43275259      -0.56337049      -4.12141144 
O       3.80193444       3.64832474       3.36398582       0.44115658       0.85636168      -2.36453680 
O       6.19636059       3.93389742       1.28982288       1.44529818       0.37867460       2.59014748 
O       3.40925653       0.86329969       4.19677926       1.71163538       0.86501193       1.72755158 
O       0.93495664       4.17648907       3.69538643      -0.51756840      -0.42171409      -0.38017912 
O       1.07493578       1.28536177       1.10289236       2.06425755       0.34157442       4.68953876 
O       1.54218609       6.56622511       3.58904199       0.56038856       2.67741551      -1.83331914 
O       3.83010715       0.72631838       1.78376870       0.00513377       0.48274867      -0.64405114 
O       8.89004512       0.81948242       5.99526951       0.19520366      -0.53871567      -1.06560325 
O       1.58803736       9.07665893       6.33710952       0.80346728      -1.43647193       1.33490744 
O       6.29840782       1.02857522       3.79266746      -1.04077997      -3.00242575       0.82049818 
O       5.97836451       9.22391125       9.08784552       3.50305033       3.88078276       4.71310247 
O       0.94991734       0.95880230       6.26829698       0.17913459      -0.21741702       3.99587873 
O       3.63887439       3.76889275       8.90632226       0.05457743      -0.56454346      -1.87452026 
O       1.24139253       9.17330937       9.01347522      -1.66522876      -2.26892387      -0.14830055 
O       0.97128764       4.28274884       1.19807910       2.26292642      -5.09803890      -0.53084561 
O       4.38578513       9.64022801       6.70540359      -1.31019510       1.07071485      -4.94290830 
O       8.94113012       9.29030160       8.94842935      -1.27407760       3.80359508       0.16151242 
O       1.27863022       6.31210410       8.50308197       1.40541581       1.21006471       1.45747315 
O       1.42810158       9.32248998       3.97626470       0.70809196       0.47548034      -4.41404558 
O       3.19628307       6.23592429       5.68397814      -0.92059204       1.71891447      -2.96326586 
O       3.91512011       8.72793645       0.74974571       0.53716427      -0.44078687      -1.11547657 
O       4.29493286       9.20125256       3.35766529      -1.44346976      -1.82490789       2.77757805 
O       0.81194142       4.12256281       8.99848594       1.78575181      -3.54013717       0.88930893 
O       9.14133555       4.26670593       1.31637458      -3.35085897      -2.38601131       0.07516928 
O       6.34726498       1.08757351       6.50002639      -0.20260400       0.34207278       0.05673540 
O       6.58172471       3.86358036       9.44583582      -1.01940599       0.32761851      -1.07677599 
O       3.26502748       3.64104540       5.58330533       1.90599966       2.46603318       2.74047080 
O       0.99243795       3.72599525       6.50831625       1.34478658      -0.07479787      -1.76428503 
O       9.02365883       4.40338906       9.06547842      -1.66459550       0.36781967      -1.78981861 
O       9.00703275       3.71725430       6.20711126      -2.18764783       0.10971222       0.63942789 
O       6.64522995       3.71600558       6.74826184      -2.25889967      -0.63332135       1.14664183 
O       6.07002937       1.07509926       9.15103259       0.53878252       1.13554780       0.93299417 
O       6.24609241       1.27298130       1.10097160       4.38615341       3.38647938       1.67249684 
O       9.39733692       1.54745530       0.50366138      -0.54556226      -0.66329879       1.67836215 
O       6.54243271       9.26258669       1.46608949      -0.39344354       0.03370026      -2.07236611 
O       9.81476299       8.48871827       5.89991741      -0.82296606      -3.19151103       3.78406856 
O       0.91599324       6.23118247       5.98327190      -2.03528829       1.24380990       1.51762119 
O       8.56197109       6.77071414       6.82286826       5.10244910      -0.99321340       6.02950885 
O       9.33641359       7.17552426       9.29158507       1.53506162      -2.33089818      -0.51597486 
O       7.40865520       5.73643829       5.60802325      -1.83767225      -1.59451967      -5.08070673 
O       6.84195861       8.97470988       6.61659213       0.35131147      -0.24793268      -1.48735374 
O       6.33925206       7.00831583       8.77397758       5.87586225      -3.95333175       1.96227665 
O       3.98217674       6.19233508       8.79064207      -2.38191207       1.56203164       2.52879885 
O       6.47974530       6.75031227       1.00135714       1.94557831      -1.72423642       0.80941150 
O       9.14465920       6.60974472       1.12409531      -0.84046571       1.39145956       0.55037712 
O       8.54098793       1.55269112       3.10040640       1.88972145      -2.53236099      -2.42960768 
O       9.34103002       9.01093109       3.83084575      -1.53482057       0.91653889      -4.09947151 
O       9.17578149       9.30317231       1.26526310       0.87731364      -0.65347274      -1.05096139 
O       6.48040279       3.27205606       3.77319122      -1.76864159       3.74057932       0.14353005 
O       5.32601997       6.29874902       3.45007314       1.16919095      -0.04517935      -0.65911782 
O       6.77727352       8.98551906       3.87791727       0.74169053      -1.78889205       1.48364209 
O       8.54673084       1.89061123       8.64532883      -0.69870407      -1.33400243      -0.30454046 
O       8.86349949       6.71067416       3.38190647      -0.29229931      -1.83048117       2.99848505 
O       8.95767017       3.61527688       3.81622666       0.60290157       1.78394881       0.24504422 
O       3.91317601       6.13883124       1.14257580      -1.50460560      -0.15730284       1.35534053 
O       3.44645780       8.76889886       8.39264807      -2.78310738      -1.58296274       3.53093248 
O       3.59320230       1.07898808       9.36529486      -0.32232387      -1.24713982       2.43590255 
O       5.03220694       6.24746390       6.52744491       3.81811075      -0.07041732      -0.34865537 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03191787054317751 1.914293942492161e-05 0.007334876865280994 1.914293942492161e-05 -0.02702717828848249 -0.011214813227662847 0.007334876865280994 -0.011214813227662847 -0.01127172652849136" pbc="T T T" energy=-928.03463593 free_energy=-928.03473419 config_type=crystal 
Hf      10.21661242      10.28655301       0.08380852      -1.05895093      -2.82613306      -1.31456176 
Hf       5.34525528       2.34301503       2.30517260      -2.47172561       0.37533751       1.63759887 
Hf      10.18619691       2.42809257       7.80979764       0.40050008      -1.29344150       0.03441491 
Hf      10.37767416       0.08763914       4.64841694      -2.71018712       1.70690816       5.45649968 
Hf       7.91083090       4.90726166       7.69313708      -0.66597029      -1.17265025       0.35876593 
Hf       7.53509391       7.49571389       5.40536423       0.55594113       0.19205129       2.15707569 
Hf       7.59064169       2.45934412      10.28186353       2.90963470      -0.83043621      -2.97718066 
Hf       7.72771322      10.28822823       2.36343982      -1.22674912      -2.48516226       2.12026639 
Hf       2.71318547       2.46740089       5.12461219      -2.80847431       3.10805407      -2.16620025 
Hf       4.42625666       2.54535755       7.95846677       3.08787471      -0.62717765      -0.91217303 
Hf       5.15124375      10.42975941       5.28176710       0.09728656      -0.51076676       1.11804685 
Hf       2.26538774       2.55924410       0.05076944       1.07987847      -2.94168987      -3.40560364 
Hf       2.70534817      10.28835100       2.56290811       0.19194052      -0.47820518      -3.06840570 
Hf      10.35349253       2.64118743       2.37169409      -0.20607452      -0.85109941       1.21793626 
Hf       2.52794326      10.04782841       7.72118294      -0.46515868      -0.83185235      -0.41909874 
Hf       7.52120264      10.46490952       7.58699830       2.95866603       0.76154823       2.79478970 
Hf       1.96915263       5.02167617       7.49792403       1.21203610       1.18599522      -0.09028438 
Hf       5.21671935       5.04713949       4.92575732      -1.43187217       0.27727388      -1.21097101 
Hf       9.65216241       4.96851059       4.93741331       2.58362492       0.70548195      -0.06830690 
Hf       2.66612891       8.06020514       5.02070543       0.34305605      -2.37564257       0.96704514 
Hf       4.96125260       5.11419455       0.35892818       0.52959683       1.07072858      -0.88236677 
Hf       5.37501361       7.77983406       2.45100465      -2.54647351      -2.01655606       0.14813170 
Hf       5.44050586       7.53971683       8.01115351      -3.20180512       1.88254395      -2.19411149 
Hf       7.79235185       7.63622440      10.21198814       4.87710622       0.88188399       0.35410274 
Hf       7.86886469       5.00883707       1.99618609       1.75443167       4.80554426       1.66029180 
Hf       2.14052179       5.45822116       2.76108529       2.79069335      -2.99716522       1.47267164 
Hf       0.10501858       8.14029805       2.66696851      -3.82536178      -0.87519526      -3.01654909 
Hf       0.30316991       5.24177941       0.00124694      -6.46242649      -3.84245285      -3.43991558 
Hf       7.50658900       2.59524500       4.86772297      -1.82688072      -0.98194441       0.78535726 
Hf      10.37318248       8.22973801       7.46884516      -1.42085819      -0.67104866      -0.47027348 
Hf       5.07059278      10.45084326       0.02284541       1.76937612      -5.05792161      -2.47884851 
Hf       2.67987731       7.40412595      10.23483492       2.05736470       4.41226041       2.37798699 
O       1.16855092       9.32440885       1.35969607      -0.66752781      -1.07278873      -1.45190862 
O       0.82117491       6.53257764       1.18736716       1.95960464       2.89573051       3.24199722 
O       3.93799692       1.38487796       6.18780227       2.17806157      -2.76701554       2.98072435 
O       0.73866400       1.77150346       4.46138395       4.21103780       1.54399856      -0.32367512 
O       4.09836600       3.50871066       0.99464307       0.53026810      -1.90479981       4.17901736 
O      10.44911623       1.71596154      10.24813473       2.30515228       0.96626849      -2.25797214 
O       3.28123408       3.82887936       3.55238810      -0.37015033      -0.15741323       1.72126129 
O       6.80752952       3.55007643       1.30551569      -4.03529685      -0.87202866       0.59741521 
O       3.71821059       1.30435185       3.92300346       0.56019522      -2.12038644      -1.36882814 
O       0.70679431       4.24583832       3.82342270       0.50861279      -0.05947953      -4.33302358 
O       1.64369839       1.23469259       1.58011686      -0.85635890       2.63995872       0.80044150 
O       1.56262553       7.11873549       3.44885708      -1.75302495       1.14238827       2.04320228 
O       4.22334949       0.43664264       1.62470046       2.89726092       5.78068261       1.65524690 
O       9.76441690       0.50048018       6.78617021       0.47322958      -0.25876169      -1.57418194 
O       1.62945745       9.45917772       5.98242665      -2.71574924       2.91914120       2.08762210 
O       6.52858426       1.11371316       3.51639651      -0.69582885      -2.05064595       0.65572211 
O       6.30817634       8.55433454       9.44198887      -3.66670303       3.32719695       0.20091504 
O       1.74364349       1.56299583       7.51577016       0.63499777      -1.46978316      -0.36552410 
O       3.73589816       3.52513160       9.43540458       0.85307389       1.88458517      -2.97155208 
O       1.12867040       9.13493746       8.94308992       0.13846120       2.02757613      -0.38762205 
O       1.32588093       3.78093830       1.07247036      -1.43506482       3.83064649       3.24250623 
O       4.02705947       8.83404446       6.41310397      -1.05696778       2.61927766      -1.26673834 
O       8.63792169       9.63957774       9.28973821       0.84556611       0.79909807       1.48687636 
O       1.84262203       5.89281421       9.51365230       0.09743210      -1.14069371      -2.89616895 
O       1.29610490       9.58316911       3.68303411      -1.72153521      -1.79816405       1.91064910 
O       3.60220930       6.42995581       4.12292076       1.20774639      -2.02936989       2.04406752 
O       3.80335617       8.83290250       1.09377327      -0.46155193      -2.18710686      -1.16667521 
O       3.78818007       8.91554654       3.59921901       2.88720279       1.21766225       1.30646483 
O       1.37100427       3.59555489       8.71912130       0.89801682      -1.30113230       1.38199717 
O       9.21189930       3.60110700       0.96827086       0.21547699      -0.65019040       1.49985675 
O       6.80636799       1.40307125       6.45520594      -1.03381065      -1.92497215      -5.48478159 
O       6.82866350       3.97301756       9.18377327      -0.54473663       0.29707196      -0.04547730 
O       3.56182913       3.92847132       6.63221732      -1.42008478       0.49829891      -0.64277686 
O       0.74419402       4.56018917       6.15366362       1.10734299      -1.52624054       1.68249197 
O       9.78226481       4.30058973       8.76864777      -4.48651491       0.80146952      -2.44690110 
O       8.89003487       3.11545785       6.12892822       2.47658693       2.10091578       3.18998302 
O       6.10511469       3.69865335       6.36351229       0.16436967       1.50601725       2.69264235 
O       6.08042921       1.11972703       8.52969815      -3.79210248       0.38377732       3.88638992 
O       6.46011982       1.13460620       0.89934644       0.77241103       1.20736109      -0.14574806 
O       9.00320400       0.82012295       1.45161369       1.78010026       1.64122914      -1.48398405 
O       6.27518081       9.14907185       1.43453589       1.81982655       1.21596289      -0.17641495 
O       8.35263087       8.87614444       6.88266543       4.54176158      -4.61086072      -3.64433812 
O       1.87955683       7.23613653       6.81331346      -0.71624354      -2.51167572       0.78052230 
O       9.73100544       6.59722526       5.99804808      -0.59963022       4.17575452       1.56242366 
O       9.74512686       7.42489738       9.04258580       0.11937927      -1.85997421      -0.14006551 
O       7.78960321       5.35834096       5.52366861      -3.31033095       1.91337358       1.51449679 
O       6.22325768       9.01512312       6.85190726      -0.98332446       2.74095656      -2.40313174 
O       7.20512455       6.79677163       8.28089543       2.34450222      -4.16972795      -0.84041788 
O       4.33884160       6.34012358       9.15403576       0.06165765      -3.04402231       3.02780844 
O       6.42286496       6.56753181       1.01989131      -0.02129035      -0.43680439      -1.69197469 
O       8.66499733       5.82855017       0.23927617       0.36254190      -0.29749095       0.72597204 
O       9.01688228       1.60678903       3.79922348       0.15224289      -1.83506907      -0.82138383 
O       9.06098057       9.33040651       3.65290517       1.11394574       0.01007431       0.62289481 
O       9.05712000       8.55489668       1.16069373      -0.02677844       1.12607718       0.40326764 
O       5.75438709       3.35176905       4.11661696       0.60525133      -2.54411675      -2.72849982 
O       5.97642355       5.53080122       3.00423856       0.63152586       1.10394775       1.94370392 
O       6.63840421       8.49648063       3.91647098      -0.72934273       0.42464502       0.62290520 
O       8.45880482       1.60663130       8.58907552       0.92056160       2.74210413       1.24415051 
O       9.06317292       6.47818961       3.03647697       0.57059902      -0.16575617       1.21664679 
O       8.53672840       3.97287888       3.73667172      -1.57171956      -1.29127883      -4.62610218 
O       3.88091448       6.28008339       1.72488513      -1.53295644      -1.05156886      -3.59320002 
O       3.44800481       8.43696667       8.84944443       1.48920615       3.09097035      -1.30552546 
O       3.65844451       1.04378816       9.74541709      -2.32532719       0.40827562      -2.73751150 
O       5.62340093       6.67176616       6.02204237       1.25099351       0.47896172       0.54917012 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.030943079187640086 0.002465424809424357 1.4465103097327633e-05 0.002465424809424357 -0.01081827154071527 -0.008388967736458934 1.4465103097327633e-05 -0.008388967736458934 -0.012342651111789336" pbc="T T T" energy=-930.61578754 free_energy=-930.61580518 config_type=crystal 
Hf      10.25617319      10.18585624       0.00704040       1.91857905       0.03630239       0.82453321 
Hf       5.30242120       2.35205175       2.19641978       2.61014428      -1.45376861      -0.55969656 
Hf      10.08436749       2.37482338       7.78543327       5.64516422       1.56370740      -2.40375099 
Hf      10.24646255       0.10654100       4.62105368      -0.72599963       2.34592757       4.17515217 
Hf       7.88231061       4.83580608       7.72444819      -6.12223830      -2.33417298      -3.34616828 
Hf       7.61393045       7.62227526       5.48416969      -0.44751604      -1.59403504      -1.87196354 
Hf       7.75531772       2.48816688      10.20943177      -1.75269320       2.88654450       1.81871038 
Hf       7.73398551      10.22736519       2.45769496       1.46537693       0.59163861       1.23697401 
Hf       2.51520338       2.58339371       5.17255575       3.12920906      -1.28209421       2.87317320 
Hf       4.50626878       2.54138458       8.06554322       1.53234351       1.03286260      -1.54704634 
Hf       5.09485542      10.43404668       5.37339784       0.34751647      -0.38168219      -4.61726493 
Hf       2.39511975       2.57538916       0.04600669      -1.59142295       0.60921382      -0.32479761 
Hf       2.81814994      10.27312394       2.52128414      -0.99770314       0.72012411      -1.72769132 
Hf      10.37887599       2.70262173       2.42178972       0.16465219      -2.38288293      -0.04596075 
Hf       2.57260253      10.08648553       7.76082629       0.89800856       2.17271872      -3.11315872 
Hf       7.52080681      10.37190969       7.52658290       2.92535651       0.64445246       1.77101581 
Hf       2.05865151       4.98644924       7.52765631      -2.54595449       1.21562747       2.65860613 
Hf       5.24654279       4.94795016       4.80806929      -0.57925212       2.75234140       2.45847719 
Hf       9.72014216       5.09815269       4.95453319       0.46719417       0.86583610       0.55144675 
Hf       2.69748983       7.95413795       5.02783239      -1.80654695      -1.56834217       0.94061669 
Hf       4.98024446       5.05297712       0.34576128       0.17814985      -2.30402781      -1.35574096 
Hf       5.34708519       7.88497939       2.43312074      -1.93914409      -3.09875702      -1.40375522 
Hf       5.48324040       7.65684198       8.04445832      -2.06139665      -2.50024166      -1.80614295 
Hf       7.95264065       7.53191616      10.31211681       2.63090258       4.13834661      -3.27702760 
Hf       7.86224722       5.08578279       1.90243207      -1.00872657       2.47598504       0.70346408 
Hf       2.18963632       5.37548878       2.76178538       0.99870660      -1.56662806       1.79194736 
Hf       0.01585692       8.01745071       2.63396618      -1.31465410       0.44849370       0.56718049 
Hf       0.06366569       5.17487663       0.05517121       2.84678430       0.02636061      -2.49247766 
Hf       7.35887062       2.55055757       4.83233141       1.35760286      -0.38882589       0.36979004 
Hf      10.35008452       8.29310750       7.45989405       4.03164340      -0.67316771       0.47697375 
Hf       4.99698692      10.44065305       0.03101051       1.77704240      -1.73899822      -3.20350172 
Hf       2.62085339       7.49157838      10.34479689       0.00756356      -0.42967620      -0.28698113 
O       1.36995064       9.01476340       1.34226043      -1.30425336       2.16211569      -2.18684505 
O       0.70855201       6.90603300       1.14491091       1.09570547      -4.50139584      -0.99402250 
O       4.26825190       1.42346254       6.07449927      -1.41692526       2.31669882       3.32565741 
O       0.90967417       2.01927966       4.57172010      -4.46438334      -2.94564742      -3.54499581 
O       4.02371562       3.42499163       1.35505986      -2.70771348       2.79065763      -2.14316604 
O       0.46221356       1.63262641      10.17332056       0.68863005      -0.99573558      -0.19793308 
O       3.15451749       3.74011332       3.82211798       1.10326577       4.36355890      -2.18932943 
O       6.45949143       3.74773051       1.14532474       1.55302017       0.21397569       0.74526035 
O       3.98636940       0.92628371       3.72038442      -1.90887852      -0.31838208       2.00714988 
O       0.64071711       4.22692506       3.37260620      -1.66256218       2.80592885       3.72085597 
O       2.06361689       1.61741347       1.86313693      -2.60211898      -0.80648855       0.46109023 
O       1.23136936       6.87939726       3.84197707       1.24176167      -1.07552415      -0.61822815 
O       4.30209153       0.99633724       1.44219694      -3.08891716      -4.35733765      -2.41027485 
O       9.77108649       0.52443459       6.54622294      -2.64340257       0.44398255       1.52819616 
O       1.37774168       9.88264697       6.13754913       0.34543012      -3.22640425      -0.52301109 
O       6.34871005       0.85899735       3.63064576       1.78599096      -0.82607396      -0.20506746 
O       6.31835828       8.75714333       9.53680332       0.64624537       0.23864721      -1.24472060 
O       1.95303698       1.67118295       6.81988142       0.01451049      -0.85771308       3.65398469 
O       3.83759142       3.86577187       9.27699592       0.36790435      -1.62726909       1.53121049 
O       1.14368364       9.65153611       8.83399988      -1.54832801      -1.25216802       1.54045344 
O       1.12572438       3.90795432       1.32108825       2.79102227       1.75888461      -3.01089739 
O       3.87336489       8.76077206       6.31326993       0.37893198       2.49834671       0.96109494 
O       8.93600430       9.67415053       9.20037402      -2.66200897       0.81812191      -1.52584610 
O       1.74058767       5.77005269       9.51907400      -0.35553822       0.85692211       0.39259492 
O       1.09115923       9.61332464       3.60951126       1.92532056      -0.83003030      -0.43534760 
O       3.75977575       6.31915246       4.48031312      -1.38693288      -0.37295822      -1.01424410 
O       3.62579321       8.78157929       1.09430118       2.84078007       1.57633835      -0.56560808 
O       3.81478097       8.71556572       3.54216827       0.47613579       0.76474294       0.83164186 
O       1.52671244       3.33406976       8.73602201      -1.42700654       0.26026421       0.27396245 
O       9.32227752       3.57014307       0.84533006      -2.20918284      -0.36280220       0.43902644 
O       6.71323084       1.15763519       6.08182153       1.42454858      -1.26828598       1.34516334 
O       6.65332786       3.78096426       9.20274776       0.51918015       0.88457904      -0.88161259 
O       3.51086607       4.28631991       6.59506347       2.05431627      -2.13374928      -1.96496003 
O       0.52468034       4.19578089       6.42710273       2.13148833       2.08208924      -1.44329678 
O       9.41976410       4.30874092       8.48706994       5.23185828      -2.12007780       3.51253929 
O       8.97158268       3.23363171       6.29527005      -3.22932716       0.03910761      -2.32053899 
O       6.26940472       3.97822219       6.66794768      -1.32303952      -2.17359787      -2.52114416 
O       5.94738843       1.25292712       8.82981800      -0.20977654      -1.75271490      -1.06547612 
O       6.66539047       1.17148543       0.66749980      -0.13463128      -0.48745703       2.17946559 
O       9.31777841       0.69116137       1.55446922      -0.33910606       1.23587919       0.33757988 
O       6.13341603       9.47824190       1.50495123       0.26950480      -1.52568910       0.73270462 
O       8.61592938       8.53383104       6.82723267      -3.61382289       4.69975510       1.46009557 
O       1.74212390       7.07824030       7.14467670      -0.07517851      -0.12932122      -1.14741598 
O       9.82234920       7.08722532       5.62443907       0.46180303      -2.20701105      -0.02486081 
O       9.83068344       7.53325531       9.12072875       0.50646955      -1.64893554       0.52131321 
O       7.73897737       5.69704655       5.66560232       2.72871779      -3.09193417      -1.46538467 
O       6.18112714       9.18855852       6.54830028       1.94371167      -0.48837970       1.80685405 
O       7.37512599       6.58551222       8.06098194      -1.93745232       4.45301460       3.19599365 
O       4.29247456       6.04924611       9.32137837       1.30305111       4.75896161      -1.97589340 
O       6.52024081       6.58646496       0.78536868      -1.53614948      -0.47764051       1.02333814 
O       8.72315120       5.74049551      10.32588206      -2.84229016      -0.02533893       2.75330070 
O       8.88324513       1.46733947       3.84492488      -0.18818486      -0.29109828       0.05520054 
O       8.86556908       9.01945801       4.00681281       0.69386985       2.70594671      -0.54016065 
O       9.03071430       8.76693069       1.25488943      -1.46624267      -0.74249165      -0.70570660 
O       5.74150425       3.30514056       3.69139305       2.39188171       1.90237512       6.24117285 
O       6.17608557       5.70334972       3.12893360      -0.67255303      -0.26008597      -0.41599968 
O       6.60042854       7.97964313       3.76530766       0.50668209       2.81723016       1.18625522 
O       8.71146307       1.65719487       8.86620249      -0.96176266      -2.13364979      -2.19143597 
O       8.97496996       6.65377006       2.91307011      -0.18286629      -2.68094763      -0.60044121 
O       8.49223501       3.94535749       3.30097522       0.96448078      -1.48795575       2.99288805 
O       3.67581788       6.16471457       1.33594533      -1.88383755       1.11679539       1.56236355 
O       3.75230414       8.67371725       8.87420338      -0.38214423       0.58582456       0.65116646 
O       3.40890696       1.19705603       9.37208051       0.50166940      -1.69145137      -1.13613710 
O       5.67452894       6.63268119       6.17894577      -0.55830861       1.19335938       0.50074457 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011918257913703293 0.005128246132999622 -0.008412246549491032 0.005128246132999622 -0.00895275597820033 -0.01072333822435964 -0.008412246549491032 -0.01072333822435964 0.004877148804042766" pbc="T T T" energy=-934.10224496 free_energy=-934.10231248 config_type=crystal 
Hf      10.28719679      10.12801028      10.43698978       0.90640588       1.61402721       1.56016203 
Hf       5.29041155       2.34748190       2.14382095       1.24638602       0.29847573       1.37904834 
Hf      10.07779136       2.35859281       7.75282289       3.86476314       0.89038247      -1.95907751 
Hf      10.16293673       0.14335355       4.65312819       1.63275584       0.46551587       2.39627123 
Hf       7.82814782       4.78036327       7.71994301      -4.31830273       0.55808099      -1.96473241 
Hf       7.65481331       7.67336099       5.51696595      -1.87473002      -2.44300387      -2.79464839 
Hf       7.83529289       2.52331615      10.17817583      -3.97523703       0.86898514       1.79185806 
Hf       7.74469987      10.19307164       2.52154433       1.56467625       2.09518715       0.92699151 
Hf       2.42483413       2.63598197       5.21035255       1.47905447       0.66187400      -0.25712960 
Hf       4.56295508       2.54641181       8.10759149       2.49760196       0.16383865      -2.00367866 
Hf       5.06714165      10.43558291       5.39009509      -0.39178414       1.55399282      -2.61822748 
Hf       2.44903125       2.58631576       0.03719290      -1.26381107      -0.39679309       0.24779088 
Hf       2.86500074      10.26399270       2.48641683      -2.20570018       0.67634077      -1.83966888 
Hf      10.39409856       2.71852124       2.45110293       1.24205892      -2.14691956       0.06727613 
Hf       2.59855274      10.12130668       7.75641489       0.20509570       1.94196037      -0.95973601 
Hf       7.55068111      10.32858381       7.51476886       2.57118951       2.36331842       2.63334846 
Hf       2.07902701       4.98462205       7.56428027       1.77224054      -0.44694982       1.95687136 
Hf       5.25445555       4.92493289       4.76864218      -0.63597269       2.35930971       3.76256781 
Hf       9.76088875       5.16955300       4.96464354       0.94042642       0.21387767      -0.31081311 
Hf       2.69746587       7.88633518       5.04418928      -0.58840536      -1.58087275       0.05686965 
Hf       4.99096614       5.00939534       0.32413078      -3.59414523       1.04496860      -2.26022283 
Hf       5.31461045       7.91000638       2.41492127      -0.05071047      -2.60696605      -1.43857502 
Hf       5.48462215       7.69899188       8.04651734      -1.80132120      -1.87359139       0.26278281 
Hf       8.06635749       7.50908383      10.33934233      -1.59457277       5.39633825      -4.72435865 
Hf       7.86158848       5.15777717       1.86582381      -2.59075278      -0.74267772       3.21115131 
Hf       2.22472886       5.31872294       2.77885376       0.16019299      -0.15132705      -0.08454905 
Hf      10.41686055       7.95662555       2.61512900       0.94249032      -0.13600024       0.16016283 
Hf      10.41113073       5.13043097       0.06090386       4.74044013       1.12643450      -3.52838822 
Hf       7.29554321       2.52496709       4.82126947       5.26094349      -2.64511947       3.17295037 
Hf      10.36626192       8.32186788       7.45132610       1.47434549      -0.33003754       0.89917541 
Hf       4.97459648      10.41268998       0.00556425       3.63453133      -4.36977972      -5.97050820 
Hf       2.59249239       7.53797651      10.40087793      -0.58012453      -1.07871492      -0.89732581 
O       1.34505553       9.02135239       1.09717960      -1.04266222       1.33605738      -0.82855247 
O       0.78600063       6.83168363       1.15848369      -0.93402286      -2.47129539       0.44486179 
O       4.39568416       1.55434897       6.35218472      -0.25074810      -0.90521885      -1.03163612 
O       0.78402796       1.92663683       4.36315961      -0.74231312      -0.36437933      -0.86652402 
O       3.82285627       3.52134525       1.46535487       0.97310562       1.55655709      -0.87575570 
O       0.81005269       1.50990540      10.09584577      -1.83595793      -1.72730291       1.35420777 
O       3.15341666       4.02760193       3.83911970       1.08112192      -1.51767239       0.50292248 
O       6.24916759       3.73405014       1.09221527       3.84975883      -0.32517298       1.25740251 
O       3.96746304       0.71120801       3.77595450      -1.32137165       1.82609434       0.93356226 
O       0.47680354       4.44149577       3.32128750      -1.53389571       0.02533135       2.85849039 
O       2.01484837       1.83446216       2.02853753      -1.72940245      -1.93866066       0.05293806 
O       1.18335703       6.63443532       4.04142119       1.02433273       1.51096905      -1.47704283 
O       4.23886427       1.13677752       1.17672648      -4.51009049      -0.90235593       0.87864477 
O       9.55584678       0.56386736       6.52113714      -1.14242830       1.04567925       1.13606130 
O       1.25858441       9.85067231       6.19901440      -0.53883624      -3.39213686      -0.26995714 
O       6.37792216       0.63868583       3.68080440      -0.22603427       0.77238596      -1.38334780 
O       6.26617412       8.95807605       9.45047329       2.52409558      -0.60049605      -0.31961321 
O       2.09000783       1.62870671       6.72750977      -1.78285799      -0.99518778       2.57082177 
O       3.95669929       3.95686947       9.28041251      -1.34133681      -1.31797471       1.61203644 
O       1.04519712       9.84924545       8.89704377       0.93841650      -2.61274105      -2.03720440 
O       1.24301521       4.16699120       1.28280592      -0.04627434      -1.20313401      -2.32393820 
O       3.80723567       8.98595298       6.31585717      -0.36460304       0.54151475       0.17032101 
O       8.89863117       9.79861490       9.09012307      -0.72759464      -2.00862867      -0.25500132 
O       1.77499290       5.81836373       9.45284671      -1.47659898      -0.26674184       0.65748511 
O       1.21572187       9.47653675       3.48858112      -0.39132516      -0.18148319       1.29867537 
O       3.74308896       6.17025872       4.59156443      -1.78228959       3.43577755      -0.75351174 
O       3.75670015       8.83160804       1.00487692       1.39454713       1.61518465       1.25945066 
O       3.93192087       8.70255226       3.61044055      -1.42105765       0.10575116       0.62363009 
O       1.48548734       3.17881425       8.81121088      -0.55684264       2.94103996      -1.90943714 
O       9.18694076       3.49413344       0.86972071       0.20147012       1.10914800       0.00537711 
O       6.75502301       0.90481042       5.87891132       2.34344100       2.40522219       2.50609973 
O       6.58887041       3.77624107       9.12639306       1.62867421       0.21930218      -0.08047681 
O       3.71252734       4.23114273       6.36685635      -2.36627656      -0.82388464       1.35058941 
O       0.63513685       4.15248421       6.49252276       0.32826802       0.67401589      -2.26131302 
O       9.48937553       4.18438257       8.53537041       0.90300341      -0.42441927       2.07037234 
O       8.75307920       3.33532581       6.22261631       0.58119368      -0.29089258       0.05113588 
O       6.25790195       3.96905673       6.65675596      -0.59426217      -1.53881732      -2.19476531 
O       5.79475407       1.18298234       8.96493696       1.06158892      -0.26603177      -1.26092919 
O       6.73542002       1.17543945       0.75717044       0.73197836       1.04028248       1.62492836 
O       9.53298138       0.78219795       1.57046346      -0.69321304       0.17154055       0.34236122 
O       6.12591396       9.56084209       1.59373924      -0.93822125      -2.20836776      -0.18737548 
O       8.51755244       8.68259028       6.84326103       1.28536140       1.80606319       2.25043977 
O       1.65422781       6.94802319       7.22052473      -0.12491307       1.31724349      -1.79438939 
O       9.89973336       7.27634035       5.47434696      -1.00372151      -1.80985544       1.74155259 
O       9.90097109       7.37628460       9.26239997       0.26644704       0.12688732      -0.76089283 
O       7.87327860       5.63461180       5.64987978       1.42803379       0.13822375      -0.59228658 
O       6.30852748       9.31513664       6.47991151      -1.34593105      -4.45434461       1.01397768 
O       7.34242843       6.72483074       8.19836317       0.17704960       0.11993680       1.65932225 
O       4.39166211       6.23492634       9.31775643       1.14324781       3.45160409      -1.47814165 
O       6.42702203       6.54263063       0.73882266      -0.09415095       0.66130920       1.12057888 
O       8.50609446       5.69338411      10.37596555       0.18084337      -2.77011950       2.19194378 
O       8.78805316       1.33837705       3.85729488      -0.23535883       0.20557541      -0.33032207 
O       8.84078302       9.09848912       4.15224757       0.47014438       1.04095797      -2.04958744 
O       8.88094099       8.84030911       1.22659479       0.62426385      -1.36385859       0.64702911 
O       5.94360699       3.25809342       3.81951430      -3.22651952       1.33355430      -0.92301196 
O       6.22279580       5.81467848       3.18145540      -0.87661987      -1.80831794      -1.09701168 
O       6.57830949       7.97458178       3.76555005       1.32852407       2.89325551       1.58573217 
O       8.71496140       1.54607732       8.87224358      -0.00041077       0.14534507      -1.94130913 
O       8.93796776       6.52186328       2.82090946       0.72912414      -0.33601140      -0.35832575 
O       8.51795559       3.79036583       3.27226329      -0.06375960       0.48299544       1.23751809 
O       3.39978106       6.17954842       1.20667677       0.96430451       0.32818856       1.74303702 
O       3.90357014       8.89653584       8.93442338      -2.17755211       0.28792948      -0.12451649 
O       3.31481750       1.12424854       9.03578937       0.45027106       0.45085686       1.25960492 
O       5.68238372       6.70841597       6.30857699       0.13690846       0.39757351      -1.10786153 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0002959636558441535 -0.001609292512777128 -0.0013152957998773965 -0.001609292512777128 -0.007874961971233878 -0.01227915314990471 -0.0013152957998773965 -0.01227915314990471 -0.014779322705493321" pbc="T T T" energy=-932.10636371 free_energy=-932.10668741 config_type=crystal 
Hf      10.27012621       0.11654606      10.15967734       3.06101668      -0.50699765       0.68685347 
Hf       5.01743987       2.62493583       2.34172528       0.71133620      -1.03556831       3.32160494 
Hf       0.01196391       2.58348141       7.55244645      -0.77822556       3.99840207       0.83421231 
Hf       0.07500801      10.16992354       5.39863855      -0.45894200       1.95191663      -1.99710768 
Hf       7.46373441       5.45454836       7.75929885       6.34231162       0.42539523      -0.41886177 
Hf       7.67069305       7.86665025       5.12379907       1.14906186       0.19797232       1.02776341 
Hf       7.90750255       2.71635589      10.00147236      -1.90056438      -2.51556059       0.29448719 
Hf       7.84282792      10.42858500       2.53977666      -1.94199625       1.02912130       0.32210122 
Hf       2.65184653       2.68854333       5.07572362      -1.65446188      -3.86689831      -4.19713718 
Hf       4.95935926       2.14258709       7.30157017       0.63786289       1.75916520       3.73685279 
Hf       4.88560060      10.05760384       4.99370608       1.59116919       0.81818838      -0.74818158 
Hf       2.55626615       2.72260746      10.02764592      -0.46158442      -1.46922861      -0.18351783 
Hf       2.40113415      10.11372497       2.27589246      -1.79438722      -0.07055737       1.11843324 
Hf      10.36439737       2.77309180       2.69848559       1.18632038      -2.68384363       1.40955169 
Hf       2.47991386      10.13276121       7.83446093      -1.02101886      -0.52380491       0.78448598 
Hf       7.87019902      10.33369875       7.82160655      -5.63436384      -2.59350981       0.53947052 
Hf       2.60738161       5.05259217       7.87717401       2.04989688       1.26030790      -1.33959080 
Hf       5.31402215       4.90294236       5.16081153      -0.62241492       4.73805392      -0.14821228 
Hf      10.28419896       5.04752381       5.11440345       0.06716167       1.25355227       3.10948469 
Hf       2.21059729       7.79828315       4.84443567       1.23646054      -1.00580806       2.35814899 
Hf       5.32505572       4.85992712       0.03506093      -0.05200916       2.09145675       0.61102303 
Hf       5.06284831       7.57788329       2.64568466       3.66652089       2.31265664       2.52447125 
Hf       5.41826372       7.64379523       7.57058333      -3.27884947       1.32271896      -1.55671156 
Hf       7.34169423       8.26322953      10.46079714       1.64445668      -3.26871810       0.11821426 
Hf       7.80702619       5.18161917       2.43090013      -1.63197523       1.90624594      -0.64691621 
Hf       2.20438602       5.34922961       2.69685307       5.21479410      -2.46152364      -1.56292800 
Hf      10.01510291       7.91287924       2.50290413       2.74769397      -1.33073971      -0.22313592 
Hf      10.37067039       4.84076675       0.03414912      -0.69977049       1.70142929      -0.28421448 
Hf       7.80461687       2.70365882       4.94510000       0.20298597      -2.03614106       0.74415414 
Hf      10.07529245       7.78664829       7.83614944       4.90940320      -4.81566009       1.50777603 
Hf       4.83007259       0.00480053       0.13066726       1.19351356       0.44037232      -0.64194687 
Hf       2.82424201       7.39151188      10.22817077      -3.63630758       0.51840043       0.78445434 
O       1.31512157       8.41795514       1.69511737       1.13643514      -2.06378581      -0.59652105 
O       1.81952836       5.94094543       0.87371440      -2.25370584       0.16685886      -0.14688750 
O       3.40270218       1.04745227       6.47177801       0.53066577      -0.20752113      -0.45959818 
O       0.92513337       1.14319456       3.87227034       0.42611613       0.94289298       1.35417685 
O       4.12387276       3.18541916       0.72082216       0.74178373       1.41130387      -0.40384248 
O       1.11007772       1.51033305       9.05887445       0.81007133       0.15780524       2.16548123 
O       3.63976548       4.00206974       3.36055228       2.55326101      -2.72017602      -1.28594871 
O       6.57869328       3.87361681       1.42193982      -1.34921630      -1.16275125       0.19111994 
O       3.70312503       1.00416805       3.67134777       0.29192598       0.40359162      -0.10715855 
O       1.53078871       3.98862036       4.06845905      -5.50302774      -0.06486794      -1.62342358 
O       0.57364562       0.10409892       1.69772513      -3.02822434       2.18924400      -2.47147188 
O       1.18013250       6.40215675       3.82385767      -3.43138558       2.12762916       1.03703088 
O       2.77593683       0.89642082       0.80312176       2.38689418       0.55576523       0.04006869 
O       9.98264324       2.86776852       5.59805378      -2.86331879      -0.51384441      -1.14957096 
O       1.35982564       8.72061001       6.72451550      -0.43884052       3.68696405      -1.63602889 
O       6.27669998       0.44077292       3.68092141       1.45418233       1.47649277      -1.08842303 
O       6.54571293       9.78941291       9.46619834      -0.97951067      -1.12204111      -0.20607673 
O       0.83455459       0.95298508       6.87373431       0.98467620      -4.00116145      -2.66139743 
O       3.95901692       3.52681007       8.58924162      -0.93758096      -0.17680939       0.36300193 
O       1.25104645       9.31223740       9.45114093       2.12522560      -0.29304805      -1.42213492 
O       1.12865680       3.50012356       1.26926245       1.51458434      -0.72597487       0.51837486 
O       3.93015345       8.72214310       6.30991038      -1.82874654       0.33289844      -0.38095012 
O       9.26351368       9.14440256       8.98272887      -3.17639686       1.92906860      -0.14067170 
O       1.73589400       6.78677620       8.31723963       0.41035348      -0.20519463       1.55712031 
O       0.85260805       9.06357200       3.90625189       1.81981377      -0.65611502       2.20431434 
O       3.62531512       6.28238218       4.25061970      -0.29708078       1.00425648      -0.05307053 
O       3.85952795       8.84933108       1.03981582       0.63572791       1.11070507       0.27579209 
O       3.76703416       8.67931771       3.62331492      -3.21913484       2.78479046       1.16849909 
O       1.32568040       4.25434755       9.14308508       0.75135790      -2.02619722       0.04341940 
O       9.15322086       3.35240309       1.07967477      -0.84110510       0.55549954       1.96830519 
O       6.15454153       1.53445429       5.98501107       2.38849954      -0.61093550      -1.77743984 
O       6.93709731       4.47552075       9.30462125      -1.21139172      -3.53189653       3.73608253 
O       3.89352154       3.75802768       5.87957907       3.17694601      -0.79225970       2.38966631 
O       1.65680752       3.65640873       6.43795984      -1.84099777       1.50816649       3.96726124 
O       9.53083445       3.34172526       9.26661439       0.30942345       0.00702747      -0.22953717 
O       9.30761751       4.57726143       7.20950152      -0.71003473      -0.28676726      -2.73733375 
O       6.34131725       4.15462654       6.84182276      -0.85730888      -3.58028566      -2.27381661 
O       6.61976202       1.62657391       8.62191448      -0.75932868       1.04730467      -0.29499118 
O       6.17761322       1.28303471       1.20962206      -2.23343720      -0.73849794      -0.73212244 
O       8.60020936       0.72923395       0.41841586      -1.78773796       1.16698871       1.78053996 
O       6.54267522       9.08962540       1.57511830      -1.29327585      -0.36570562       0.06127187 
O       8.54767343       9.63183349       6.04732347       3.58222871       1.10239336       0.89784871 
O       0.22706180       6.83391230       6.13748016       1.53497452      -2.15756753      -1.66053470 
O       8.46331816       7.18302863       7.15260464      -1.41807518       2.48284936      -0.11402330 
O       9.34814536       6.08059636       9.20079864       1.06041573       1.23398837       1.23496686 
O       6.85405524       6.34765485       6.07954283      -5.14230977      -0.20995945      -1.10944507 
O       6.25641554       9.36058004       6.65790400      -0.24166121      -1.12588331       0.86482173 
O       6.38002199       6.80523031       9.15228424      -0.39227092       1.09573523      -0.66692193 
O       3.51772593       5.57214512       9.88214407       2.20224944       0.11958236      -2.27061664 
O       6.97790314       6.38725382       1.19304057      -0.33176936       2.70320449      -2.96553926 
O       9.65525883       5.90573033       1.73107358       0.02048534       0.75551352       0.57820534 
O       8.83601159       1.41413653       3.80364221      -1.23232374       0.48258794      -1.24903224 
O       8.85604410       9.08658508       3.82045972       0.02813650       0.31195184      -2.87518514 
O       9.08501012       8.53740190       0.89786024       0.00158664       0.85263108       0.96613894 
O       6.08747872       3.38296157       4.10787894       2.04729940      -0.51794871      -1.26977035 
O       6.37824860       6.14894064       3.58509435      -0.05789338      -0.68149063       0.81234543 
O       6.18828560       8.70063391       4.15849432      -0.87515654      -1.65037526       0.27412303 
O       9.01874652       1.16523271       8.28190354       3.86018011       3.63790221       0.15241923 
O       8.93675870       6.42199334       4.46436138      -0.20958688       0.28899334      -2.26371107 
O       8.96573312       4.10373893       3.58232792       1.61019409      -2.79750384       2.80245758 
O       4.54263945       6.16606659       1.68686435      -2.89056099      -4.40707491      -3.99871326 
O       4.01251878       8.32963621       8.99962446       1.43556690       1.56635289      -1.88394454 
O       3.86566711       0.98558730       9.05592330       0.38360789      -1.04921564      -0.70204962 
O       4.43796478       5.93798758       6.87469856      -0.66932264       1.71398209       1.55770196 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005221653912177721 -0.006498656555605633 0.011220276688985625 -0.006498656555605633 -0.036791470250369045 0.020222470450119306 0.011220276688985625 0.020222470450119306 -0.02246749774193185" pbc="T T T" energy=-929.74240272 free_energy=-929.74297377 config_type=crystal 
Hf       0.04750305      10.27598770      10.41512044      -1.93612388       0.77495057      -2.72007592 
Hf       5.21512106       2.74298557       2.63671345      -0.57255525      -1.30507251      -0.42470448 
Hf      10.42368483       2.47306049       7.74393395      -1.17284626      -0.04388658       4.00391885 
Hf       0.31946736      10.12350312       4.95424820      -3.18969335       0.08135769       1.43153812 
Hf       7.74859235       5.25689355       7.68499019       5.48784960      -3.74088036       1.73976590 
Hf       7.35890474       8.10831481       5.22195653       3.62714654      -0.89381131      -1.27653171 
Hf       7.51348727       2.00103927       0.01568894       4.13915125       3.09982730       1.30707447 
Hf       7.79549474       0.06393467       3.00939118      -2.08474929       2.65394862      -3.92288836 
Hf       2.24174690       2.65749890       5.62145390      -2.91760603       0.96962745      -2.43298925 
Hf       5.18409568       2.53408064       7.25898435       1.03788939      -5.33414917       4.02738958 
Hf       4.44588184      10.05594568       4.81477949       1.95761211      -0.24328638      -0.31358607 
Hf       2.67012198       2.41421470      10.07404771      -1.62888035       2.36858255      -1.04532701 
Hf       2.51407554       0.61227814       2.02537297       2.43773360       0.27509815       3.50803231 
Hf      10.30995031       2.54992437       2.44345894      -0.63166678       2.59408408      -1.43846405 
Hf       2.84534992      10.15478858       7.79300944      -4.55202428       0.96463962       0.17865436 
Hf       7.62006459       0.04415219       7.76728739       4.49513211      -0.85009620       0.21407356 
Hf       2.37328579       5.19192942       7.89144667       0.67189321      -1.05361540       0.94391085 
Hf       4.93963759       5.05922387       5.07428149      -1.40782782       4.68737242      -0.13512936 
Hf       9.86861190       5.04191853       4.89782533       2.39850199       3.03495448      -1.67247012 
Hf       2.00108354       7.48997789       5.46881264       1.70993681      -3.06266801      -2.12647912 
Hf       5.34615035       4.73755442       9.75586037       3.76172722       2.40859762       4.37603208 
Hf       4.98324334       7.75588248       2.41483252       0.54488287      -0.85837504       0.74235177 
Hf       5.30738804       7.95470124       7.93051584       1.98810881      -1.60148155      -0.85265939 
Hf       8.11861564       7.84297497       0.28388500       1.29833652       0.29970804      -2.56879297 
Hf       7.41006824       5.17172474       2.24699099       0.70506301      -1.06029146      -3.28135752 
Hf       2.70223008       5.26115078       2.53950244      -1.66170850      -1.15107983      -2.51099143 
Hf       0.28120304       7.34129484       2.47057079      -3.39101385       0.25253056       1.32928160 
Hf       9.97282553       4.94765826      10.34327950       6.24992844      -3.55375725      -4.31518756 
Hf       8.01810998       2.42555912       5.27291196      -3.88718808       0.46039293      -1.77890982 
Hf       9.94748592       7.73531367       7.70940501       1.58205929       0.51640387       2.40294282 
Hf       5.64749987      10.23236814      10.43853543      -1.70859196      -3.75457276       2.35215329 
Hf       2.74473238       8.08440676      10.09746447      -1.34233498      -3.38845746       2.18175834 
O       2.20048328       9.60307949       0.92043531      -0.60476022      -1.40572979      -2.43868993 
O       1.71275365       7.10818766       1.40912217       3.27284709      -0.43595982      -2.77243971 
O       0.50836312       1.45158753       6.07987419       0.95668912      -0.05589454      -0.32022262 
O       0.70141113       0.28943481       3.02308432       0.83720156       2.06885577       1.06581492 
O       3.11994387       3.09663459       1.46234887       1.49424791       1.32428284       3.03348936 
O       1.22095863       1.25505699       8.75707823       1.87006584      -2.28968219       0.20498648 
O       3.47116976       4.16784252       4.05853133       0.84602190      -3.06189067      -0.15160438 
O       6.21589648       3.66188381       1.08050223      -0.75990103      -0.20074625       0.09693482 
O       3.98079510       1.18583208       3.77900069      -1.06215910       2.77133635      -1.48975522 
O       0.70928642       3.49411837       4.38454143       0.15774167      -1.68762756      -0.92323343 
O       1.13212498       1.55118964       0.99825046      -0.96123020       0.60557052      -1.75344264 
O       1.16459877       6.05643032       3.76560636      -0.23886582      -0.13480124       0.66480289 
O       4.07937896       1.26148585       0.68268040      -0.53773614      -3.21750786      -1.21191552 
O       1.01335402       4.01768667       6.80589596      -0.69838398      -1.13300573      -1.72959297 
O       1.39192035       8.90522425       6.64516684       1.19947821       1.15368631      -1.13533478 
O       6.60741243       1.73678038       3.79930397       0.69866053      -0.09942757      -0.20552229 
O       6.79605627       8.74120582       9.36843953      -2.47337777      -0.01591351      -1.59614727 
O       8.41628630       1.97870827       7.07798607       0.49273610      -0.84535268      -0.02836104 
O       3.55641152       4.38456728       9.78232059      -2.91136268      -1.92495133      -2.97290110 
O       1.20364157       9.09178961       8.88807664       2.24133957      -0.71898317       2.66001305 
O       0.92865651       4.24547640       1.78379937      -0.80686288      -0.86322421      -0.05683922 
O       4.08918610       8.65504712       6.33528171      -1.81854147       1.24102159       1.29383022 
O       9.07039240       9.24636575       9.24216975       0.80580976      -1.48666740      -0.08018974 
O       1.02798493       6.08163712       8.82183868      -0.23073206       2.82561782       1.00647599 
O       1.09485359       8.57270136       3.98961591      -0.38607841      -0.45679933       0.67861910 
O       3.78929232       6.67693563       3.66707473       0.80702444      -0.24885975       0.15058215 
O       4.88137696       8.33145974       0.48901990      -1.95981852      -0.21862579       2.30169664 
O       3.52235209       9.16489381       3.36802274       0.97238599       0.17302634      -0.67163676 
O       1.04409430       3.61562791       9.15726532       1.24299244      -0.24742580       1.54049620 
O       8.86314176       3.53156455       0.78703616      -0.39822874      -1.98092474       1.72677525 
O       6.35285655       0.77638272       6.26884970      -1.94838372       3.99047601      -0.18104519 
O       6.31535333       3.05398190       9.00246268      -1.98093287       4.11245223      -1.82046762 
O       2.86590439       0.53740546       6.06074261       1.17921515       1.94484090      -2.46501730 
O       3.40422658       3.64501606       6.80667967       2.84332775      -2.65624572       0.21899043 
O       8.94562692       4.15595146       9.00139670      -3.08010775      -2.24559461      -5.78046605 
O       8.07933693       7.02015090       7.35206121       0.99452902       3.42522822      -3.82783190 
O       8.34994933       4.33945900       5.97269894       0.78980291      -0.33717026      -0.24729667 
O       6.45584846       0.92222304       9.05091407      -0.97335254      -1.72235387       0.46019783 
O       6.27590392       0.96607788       1.38981518       0.74365896       2.54286974       0.24184744 
O       8.81866281       1.05700237       1.27398375       1.47938487      -0.95775031       1.48687037 
O       7.15198431       9.26035937       1.38505672       0.16626824      -0.62823383      -0.15091481 
O       9.51996970       9.29508926       6.58224771      -1.82320580       1.30605473      -0.16741931 
O       0.33832504       6.55936556       6.14407784       0.57678745      -0.08979457       1.10848504 
O       5.91148162       7.02958555       5.68110046      -2.69727444      -3.99465924       0.41866134 
O       9.17389611       6.55892807       9.29718020      -0.55821623       1.25879592      -0.20406474 
O       5.91370767       3.67937534       6.05751483       2.43672920       2.17857754      -1.44291939 
O       6.54398150       9.13208584       6.83369230       0.53838728      -1.17722614      -0.39352744 
O       6.14418229       5.88965017       8.24481268      -5.50038046       0.73387141       1.73862330 
O       3.80101530       6.80309688       8.50935929      -1.99064487      -0.08956410       1.43920270 
O       7.20696535       6.03763753       0.35828848      -2.40816388      -0.44333265      -0.07426441 
O       9.56792446       6.01826166       1.20442800      -2.56066417       7.23383636       8.27612254 
O       9.18957102       1.54504807       3.99974687       0.39458884       0.00248273      -0.22629065 
O       8.59596458       9.58214468       4.40316341       2.75117560      -0.13288331       0.16861557 
O       9.87358628       8.76291585       1.06175706       0.35323561      -0.69888104       1.87848802 
O       6.27996041       4.33280166       3.71000645      -2.30930600      -1.29036540      -1.20691202 
O       6.83759326       6.78082041       3.02394359      -2.48626414       3.07359961       0.00671231 
O       6.21783399       9.36948364       3.68671131      -2.11586980      -0.86675771       2.06330428 
O       9.12094969       1.05941137       9.12087497       0.01612442       1.80932618       1.38039719 
O       8.92204019       6.91203233       4.48437432       0.32264395      -1.00884204      -0.08381083 
O       8.83153854       4.35875836       3.22545572       2.82084165      -1.90864078       2.66062206 
O       4.03726182       5.95342805       1.15069275       1.51794504       0.51361277       0.67682851 
O       4.00947657       9.28298709       9.17121875       1.31017655       2.40084532      -2.86646776 
O       3.76392989       1.72730125       8.35185564      -1.12245946      -2.38569193       1.40724660 
O       3.28586454       5.75960952       6.06879886      -1.66358143       3.06289203       0.74721984 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005514605746517707 -0.005205077487546872 -0.005208467301085212 -0.005205077487546872 -0.02551905878490772 0.022764476023741015 -0.005208467301085212 0.022764476023741015 -0.009259910173069479" pbc="T T T" energy=-928.19903936 free_energy=-928.1990809 config_type=crystal 
Hf       0.04798952      10.26879773      10.41172134      -2.04307392      -0.94209069      -0.62685306 
Hf       5.17819787       2.79148479       2.66121451      -0.74883934      -0.71486110      -1.53387986 
Hf       0.04095309       2.46705656       7.76298013      -2.75382813      -4.30948772       3.65335892 
Hf       0.29155285      10.08742885       4.96577672      -3.29205122      -0.31459976      -0.23913216 
Hf       7.78426849       5.23638482       7.71281982      -0.18973353       1.03229071      -0.61465462 
Hf       7.29833172       8.13939900       5.30622085       1.84362850      -2.86324073      -3.25449616 
Hf       7.57829953       2.09000458       0.00304954       2.76725513       0.28383941       1.95455542 
Hf       7.77835529       0.02097280       2.97847748      -0.22013610       1.77939855      -2.79552892 
Hf       2.21866192       2.60522840       5.62893545       2.88272670       3.65701434      -4.78666679 
Hf       5.19153966       2.48920052       7.17863711       2.10879117      -2.90034854       2.73264796 
Hf       4.45856404      10.07196787       4.79408320       0.09758189       0.00489365      -0.78528808 
Hf       2.64696143       2.40324183      10.05956594       0.79021310       1.64235640      -1.15203692 
Hf       2.41020353       0.63181425       2.02512000       3.27935214      -4.46492784       2.58009360 
Hf      10.31016633       2.50327788       2.53495310      -2.81348391       1.72671172      -2.51635122 
Hf       2.84838868      10.14805243       7.78092558      -5.81726625       1.55306257      -1.56757511 
Hf       7.65403850       0.03149458       7.79031879       3.85178775       0.25892739       0.96244207 
Hf       2.26750956       5.20983887       7.92288169       1.41267787       1.25099816       0.63594242 
Hf       4.96545708       5.06068338       5.06730053      -2.67454867       3.67182620      -0.14819132 
Hf       9.86749976       5.06164460       4.81130596       1.97537222       3.01931176      -0.74131402 
Hf       1.96070515       7.45708293       5.43211113       2.81014741      -2.54015258      -1.00007595 
Hf       5.43675613       4.73870895       9.77549663      -0.05241541       1.07454177       4.70846744 
Hf       4.95096924       7.80942442       2.42458681      -0.25486735      -2.61540584       3.50919511 
Hf       5.29291527       7.98316082       7.87006076      -0.09338433      -2.06189055      -1.14271856 
Hf       8.09441475       7.96983160       0.35116111       3.66349074      -1.80145930      -1.47959031 
Hf       7.38265915       5.16065150       2.16871041       2.29118076       1.08688074       1.78096148 
Hf       2.72998351       5.17035754       2.44298335      -1.41204547      -0.64848078       0.13029716 
Hf       0.36956163       7.39830161       2.54736392      -0.37998977       0.13211591      -3.76836004 
Hf       9.97763349       4.96549894      10.34073883       1.67732499      -1.79556274       2.33744261 
Hf       7.96582158       2.44287859       5.27110518      -3.55852046       1.54543534      -1.62718434 
Hf       9.95527308       7.67201828       7.70102829       3.52254023       4.99931188       3.22381010 
Hf       5.69649718      10.17974785      10.40965761      -2.64583161      -2.16689255       5.22854174 
Hf       2.82512106       8.03933585      10.05661688      -2.78469053      -1.88301705       1.52253342 
O       2.20014187       9.44154165       0.91236147      -1.30542873       2.16142484      -0.03719366 
O       1.80176805       6.97016674       1.09269943      -0.64489543      -0.39623653       1.16441845 
O       0.78858191       1.45129876       5.74268243      -4.97055152      -1.53169553       1.81100551 
O       0.58224507       0.16830623       2.98796059       1.32951504       2.58541345       1.35382796 
O       3.54252444       3.37826099       1.51714341      -1.61245947      -1.65947261       0.53955700 
O       1.51188529       1.20378758       8.79425312      -2.30604407      -0.32965698      -0.57926197 
O       3.42155076       4.15697421       4.15036292       0.91258589      -2.93894269      -1.02492087 
O       6.42448670       3.52228071       1.04716665      -1.76585806       1.51813196       0.94703735 
O       3.69906917       1.15243129       3.77010840      -0.01749014       3.05837522      -0.96154620 
O       0.68290699       3.56394467       3.95052559       2.07833024      -1.74045936       3.15215279 
O       0.99686034       1.50470422       1.01516509       1.64141346       1.91980803      -1.89638728 
O       1.24605532       5.95856821       3.65451121      -1.76988561       1.25658969       1.97218141 
O       4.18972976       0.85144547       0.78476394      -3.64543381       1.44318771      -0.33188665 
O       1.02156517       3.81168601       6.87812928       0.75650009       1.52030447      -2.56485341 
O       1.26422486       8.89840950       6.61019414       0.10603229       1.39068700      -2.37073370 
O       6.52317480       2.07975231       3.77374666       2.13821535      -4.92761299       2.03136315 
O       6.72330540       8.83799336       9.21907890      -0.75142308      -1.22757235       0.13167206 
O       8.63322750       1.84157530       6.96078756       1.64562602       0.02231228       1.25812476 
O       3.52785009       4.41872582       9.82206819      -1.75884301      -1.36972367      -3.26278697 
O       1.30472811       9.24018745       8.84041493       1.40798774      -1.12542187       2.56818443 
O       0.50820361       4.32630372       1.62762733       2.70701008      -0.34258643      -0.90028347 
O       3.91412279       8.74811037       6.30919177      -0.69769421       1.11305144       1.47629042 
O       9.23470169       9.05857261       9.40623392      -0.63584340       0.03982015       0.68507137 
O       1.08246851       6.47954184       8.78952387       3.00614218      -0.98061321      -0.40013196 
O       1.20361541       8.57423926       3.90260651      -0.90875890      -0.07029833       2.17798646 
O       3.79125441       6.54506727       3.88807828       0.47581320       1.29297219      -2.61580944 
O       4.70488596       8.34090360       0.60215052      -0.62436466       0.17728048      -0.83372032 
O       3.40438986       9.26494116       3.42576016       1.76716837      -1.07010411      -0.80625509 
O       0.94060420       3.50837762       9.27336405       0.45881499       1.61562928       1.22053616 
O       9.01234644       3.35313719       0.80416346      -0.85894551       1.31702178       0.61625200 
O       6.49293146       0.89265623       6.35361326      -2.22200640       3.21355482      -1.29834565 
O       6.25100368       3.17765251       8.91737729      -1.02098582       1.70574559      -1.88168623 
O       2.84862909       0.76932033       6.16047115       3.52483860       0.03713824      -2.06404745 
O       3.65318786       3.53837124       6.69145926      -0.04190576       0.72477332       0.01092220 
O       8.67488653       4.02532082       8.91571693       1.32750607       0.01123542      -0.73611566 
O       8.17019328       7.25663050       7.33322331      -3.72549797      -3.15954241      -1.58213324 
O       8.39534008       4.32999630       5.96663901       1.78468440       1.19211442       2.12613599 
O       6.37529629       0.93358305       9.18108471       0.71700542       0.71782979      -1.95234730 
O       6.41439090       0.91712851       1.51858031       0.04495851       1.93135621      -0.98904997 
O       8.92998477       1.01413155       1.18292854      -0.03905970      -1.74748860       3.37328315 
O       7.14107895       9.18587363       1.46208586      -0.92536856      -0.15776125      -0.84101716 
O       9.22713149       9.59902739       6.94154314       0.68811257      -0.07365903      -1.54631294 
O       0.34151755       6.60296587       6.33551761       1.19968839      -2.90060618      -2.21022070 
O       5.55344568       7.04169128       5.53866469       2.17854385      -1.04162943       2.04735469 
O       9.50581280       6.61354521       9.35896176      -4.06444746      -0.76453529       0.52920331 
O       6.12531916       3.75010163       5.98681146       0.64756956      -0.74055321       2.70229334 
O       6.55525527       9.15979353       6.82957616      -1.69151175      -0.76580016      -0.78666912 
O       5.90150513       5.88321785       8.28938216       1.74695859       0.50072446      -1.45874401 
O       3.72187586       6.81368145       8.45868728      -0.93811837       1.29078978       1.19509863 
O       7.06062935       6.01488401       0.35852941      -0.96760956       0.13992370      -0.72700489 
O       9.42843556       6.31675957       1.54853562      -2.43711620      -0.90496345      -0.24727646 
O       9.10905580       1.42819400       4.09194771       0.45102213      -0.61126132      -1.00660882 
O       8.71613665       9.38126063       4.29812023       0.52609646       1.25342816       0.15231217 
O       9.77896220       8.80127123       1.35600202       0.50608472       0.62715995      -0.08999735 
O       6.38742651       4.25832481       3.79506819      -2.66064951       2.55789491      -3.29003665 
O       7.00771496       6.98598472       3.13695448      -2.15172995      -1.93851391      -2.31274832 
O       6.07991145       9.15620969       3.64365943      -0.55967108       2.56267619       2.78538959 
O       9.02354946       1.09611926       9.36499144       1.16380424       0.58497147      -2.03667864 
O       8.88746175       7.08569014       4.73624845       1.84495556      -3.66786405      -0.09942811 
O       8.86422689       4.06565170       3.54437905      -1.65924204      -0.34011436      -2.09830147 
O       4.13210820       5.93732120       1.41086323       3.37622542       1.17113556      -0.68362312 
O       3.96901078       9.54859601       9.12556780       4.13381264      -1.50987116       0.72776396 
O       3.68171987       1.72448982       8.33657258       1.25175684      -0.18911821       2.06985052 
O       3.04153078       5.78334100       6.05790218      -1.47790129       0.89683406       2.47251050 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018703349724974342 0.01455334171482126 0.004551516546508329 0.01455334171482126 -0.03212385252775747 0.004311189784151917 0.004551516546508329 0.004311189784151917 -0.01795403790478279" pbc="T T T" energy=-929.50485296 free_energy=-929.50487032 config_type=crystal 
Hf       0.03322485      10.25690175      10.40359517       0.55258589       0.42367795       1.90433990 
Hf       5.14276194       2.82634310       2.67461836       2.11889618      -2.79250285       2.02913673 
Hf       0.09488615       2.43090159       7.80921551      -2.05588261      -2.55318506       2.47949196 
Hf       0.23892022      10.05377897       4.97423309      -4.15983612       1.15283308      -2.22377619 
Hf       7.81689352       5.22481297       7.73262721      -3.73393680       1.31574082      -2.60322382 
Hf       7.26280839       8.14392637       5.35470510       3.00214499      -4.35517208      -5.16630392 
Hf       7.65894882       2.17296869       0.00778989       0.93873778      -1.33998192       1.71857810 
Hf       7.76106848      10.46509864       2.92791589       2.06020030       2.36307547      -0.88728363 
Hf       2.21482993       2.58532210       5.59702485       2.37562209       2.60154131      -6.12947004 
Hf       5.21550140       2.42362047       7.13257851       0.35378037      -0.70539938       5.07880185 
Hf       4.47053706      10.08689570       4.77057057      -3.02428673       2.31475647       0.39637874 
Hf       2.63122351       2.40675481      10.03745882       1.01015508       0.50306085      -1.36260788 
Hf       2.34300634       0.61656730       2.04623923       1.78855368      -3.64396042       1.48689585 
Hf      10.28812357       2.47477653       2.59652115      -3.31936279      -1.15818384      -2.16922478 
Hf       2.80803489      10.15423272       7.76224823      -1.14212408       2.46756298       0.68678413 
Hf       7.70733333       0.02619648       7.82126640      -5.24941158       4.58482101       2.46993655 
Hf       2.18415590       5.23370118       7.95659426       0.94628780       0.56484617       1.17661815 
Hf       4.96809257       5.09038143       5.06023804      -2.04243401      -0.41807898       0.55382227 
Hf       9.88150532       5.10366283       4.72760054       0.35877967       1.91499100       0.52652165 
Hf       1.94641209       7.40772726       5.39089345       2.18214498      -0.85324037       0.25125133 
Hf       5.51919420       4.75168672       9.83057982      -4.14639937       2.53784282       2.93818202 
Hf       4.92106029       7.83655919       2.45973440       0.36533368      -2.90913743       2.84688642 
Hf       5.27944444       7.99090770       7.80802247      -2.40052187      -3.54364649       0.31725501 
Hf       8.10168719       8.06684992       0.39870068       3.80855706      -5.33702310       0.08434049 
Hf       7.37561843       5.15889370       2.10975545       1.01652708       2.59240177       1.65004180 
Hf       2.74478188       5.08611562       2.35584355       0.89549814       1.92702258       0.96883473 
Hf       0.44225661       7.45072817       2.58797895      -1.44999066       0.85691360      -4.78964565 
Hf       9.99980038       4.96434128      10.35182526       0.55515442      -3.62312495       0.53780859 
Hf       7.89251568       2.47030568       5.25705849       0.86629623       1.26349917       0.77524275 
Hf       9.98757115       7.64956357       7.71753076       1.37727561       1.93977241       1.03601087 
Hf       5.71878621      10.11658800      10.42338790      -3.36062084       0.96509581       3.62861933 
Hf       2.87419561       7.98351395      10.03336569      -3.55024210       0.15428106       1.42388222 
O       2.07838208       9.45226982       0.88481956      -2.37433875       1.00183421       0.99631406 
O       1.85249919       6.80574462       0.89826653      -0.88576372      -0.88068060       2.98089864 
O       0.69631336       1.35941212       5.60310403      -0.02221058       0.88255623       2.58422958 
O       0.59833423       0.28929655       3.06978555       1.73471635       1.81693853       0.17185728 
O       3.77797814       3.51795043       1.60592870      -3.75689603      -0.29854791      -3.05928185 
O       1.57977126       1.12368451       8.77710404      -4.14684387       1.47314998      -0.91133957 
O       3.46299524       3.89974568       4.14504944       1.07113848       0.90757858      -1.15538316 
O       6.45749751       3.52043301       1.08886546      -1.35782551       1.48771628      -0.39149054 
O       3.44737119       1.38797762       3.66601252       1.64770927      -0.11803225      -0.52578396 
O       0.83521898       3.48077019       3.81809603       2.02658459      -0.20160031       2.55267883 
O       1.00687230       1.62387416       0.87002203       1.82772232       0.69172168       0.32356577 
O       1.18134208       5.96581407       3.71773878      -0.16809721       0.36453974       0.60218193 
O       4.00187319       0.58684392       0.83387376      -0.29226808       2.52491420      -0.37214669 
O       1.07067007       3.73489811       6.73835370      -0.21241551       1.31735089       0.84551713 
O       1.16910102       9.00562086       6.39888334      -0.17700419      -0.37467281       1.69697922 
O       6.59625651       1.99885790       3.88819079      -1.22411584      -2.86855766      -0.82064110 
O       6.59245257       8.82644433       9.09632922       2.15696848      -0.82525836       1.97622905 
O       8.94795283       1.72161643       6.95269310      -1.32834070       0.98883173      -0.61419979 
O       3.33279958       4.32254918       9.57845639       1.08205489       0.02997624      -0.75343088 
O       1.52016029       9.27109885       9.01752553      -0.50708280      -1.00567329      -0.38019693 
O       0.37135365       4.36928663       1.44595190       4.30828739       1.03690051       2.79737456 
O       3.69875780       8.92077410       6.40549683       1.34024798      -0.74980724      -0.87349324 
O       9.33729327       8.89342518       9.58643352      -0.47994094       1.67438480      -1.69166413 
O       1.33214997       6.78122137       8.74099461      -2.11252389      -1.04720005      -0.10118849 
O       1.21960190       8.56561270       3.98465901      -1.00409209       0.14419468      -1.18845441 
O       3.82815792       6.52576519       3.87623431      -1.34185694       0.15095810      -1.29299254 
O       4.49442146       8.36358731       0.66350998       1.63505825       0.82359575      -0.38077101 
O       3.45032873       9.26949134       3.40516624       0.88781187      -0.49856343      -0.59514699 
O       0.89203852       3.54358163       9.46985094      -0.76328283       1.22017246      -1.71902646 
O       9.05841928       3.27913142       0.88439212      -1.75430225       1.56496567      -0.30539423 
O       6.44589489       1.25472898       6.31829391       2.10755749      -3.47198069      -0.93668810 
O       6.10340001       3.44834067       8.67242875       1.01585017      -1.57759119      -0.17432727 
O       3.12829883       0.97610241       6.07025596       2.46897148      -2.51355173       1.32477425 
O       3.85801987       3.50294640       6.57390866      -3.27512465       3.28260970      -1.50841304 
O       8.52300637       3.86394395       8.74665410       3.40265236      -1.16367545       3.16305717 
O       8.00113642       7.24632768       7.17393559       1.11106799      -0.98426699       0.89815265 
O       8.59466677       4.40862750       6.11975575       2.12155245       0.08469764       0.21645984 
O       6.35021844       0.97605897       9.16083670       0.77684140       1.07768661       0.32815316 
O       6.53993286       1.04764077       1.54858073      -1.05790859       0.51437892      -1.59436725 
O       9.03423367       0.83037795       1.37655115      -0.99279143      -0.26357560       0.67623190 
O       7.03949757       9.11601530       1.46982038      -2.63780130       1.54137019       0.13723622 
O       9.09019027       9.81566706       7.09042149       7.55121576      -5.92243282      -4.13420332 
O       0.42691588       6.42319287       6.36255422      -1.04959048      -0.41864242       0.61295050 
O       5.39064122       6.94371028       5.58978548       3.15286952       1.42385010       2.30268405 
O       9.47572070       6.61932694       9.42982819      -2.40656891      -0.73924598      -1.55956166 
O       6.37653832       3.79004797       6.11155151      -1.06305009       1.26879001       0.24980329 
O       6.44037722       9.13652005       6.75519360      -0.31101045       3.37165308      -1.12672548 
O       5.77762488       5.92374675       8.23520796       1.88683791       0.52963353      -0.26604135 
O       3.57823741       6.92415900       8.51679228       2.27031704       0.71930485      -0.29869066 
O       6.84619156       6.00618555       0.30185149       1.66311100       0.67005316      -0.08104331 
O       9.09822883       6.56936015       1.91095229       0.05050546      -2.30954452      -1.53827520 
O       9.07126842       1.27827563       4.09175942      -0.48764030       0.27143981      -0.36733528 
O       8.87750128       9.29306824       4.22776885      -2.01967959      -0.04676666       0.96390819 
O       9.73797782       8.87837918       1.61632258       0.13829564       0.16060342      -1.78334651 
O       6.24105001       4.37184059       3.60669459      -1.99006736       0.91115155      -0.73502667 
O       6.95536544       7.04019995       3.05650813      -2.36802015      -1.38764767      -0.56384246 
O       5.91134608       9.16389073       3.84506596       2.71871655       1.40394559       0.93407963 
O       9.04033107       1.18258881       9.43043847       1.61670182      -1.21419022      -1.71388066 
O       8.99796577       6.93803780       4.94184491      -0.04094042      -1.95654740      -1.37361709 
O       8.79223472       3.77484435       3.68856194      -0.40089906       1.00113210      -1.37891285 
O       4.47255139       6.00231368       1.59793075      -0.52646708      -1.19887854      -0.52057535 
O       4.24317352       9.68429197       9.07291664      -0.87877101      -2.19986421      -2.44953388 
O       3.70235106       1.68917445       8.49705051       1.58285250       0.45157501       0.43742682 
O       2.72168382       5.88876044       6.24370727       3.13147324      -1.68064111      -0.16611476 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014893689684527447 -0.008993888846539833 -0.009517110424683587 -0.008993888846539833 -0.018740302698342808 0.005263016574158713 -0.009517110424683587 0.005263016574158713 0.013545922402215098" pbc="T T T" energy=-933.4967977 free_energy=-933.49687725 config_type=crystal 
Hf      10.04949725      10.29408941       0.02180099      -0.86427585       2.53500340      -0.49854229 
Hf       4.75715531       2.61008524       2.34334199       3.03070237      -0.38435577       1.30844246 
Hf      10.16331058       2.43184983       7.71097452      -1.00193268       2.39138601      -2.56610913 
Hf       0.04947582      10.23299768       4.83263252      -2.05056273      -0.04090406       2.39917835 
Hf       7.78429444       4.88508137       7.53673940       0.37367961      -2.44256075      -1.80721468 
Hf       7.96617177       7.77306442       5.49899706      -2.75441489      -2.13939228      -2.62704814 
Hf       7.19592623       2.20189381      10.31084925       2.75638082       1.86788378       0.20319877 
Hf       7.09774940      10.08831565       2.31091938       1.52219054       3.85070125       0.76260256 
Hf       2.66434736       2.56647017       5.29599328      -3.78848787       1.45543822      -1.47197675 
Hf       5.12264287       2.26422516       7.82814510       0.67973683       2.77535505      -2.34343928 
Hf       4.92664286      10.22269569       5.13584263       5.90393696      -0.67911635       2.81070920 
Hf       2.13817286       2.54814156       0.09927243       2.31015072       0.87564382      -1.53037707 
Hf       2.28988064       0.01283135       2.45340361       0.31344904       1.39028659      -2.82800319 
Hf      10.21199327       2.63446667       2.51192243      -0.84946301       0.95606359      -0.44546695 
Hf       2.15967975       0.26915738       7.82723328       0.56329981      -0.97780956       0.37837310 
Hf       7.69763891      10.28213031       7.84539580      -1.32314390       1.34403712      -2.18638321 
Hf       2.55421938       5.13890650       7.37913853       1.20098277       1.59863992       2.39786027 
Hf       5.16185731       5.46236148       5.21709006      -0.48018164      -2.73691527       0.19824860 
Hf      10.44325171       5.17101209       4.85639320       5.05047052      -1.88563065       4.19484919 
Hf       2.55650667       8.02515666       5.19374834       0.74724574      -4.48264494       0.33331304 
Hf       5.27728233       5.17797023      10.30333661      -1.27860143       1.28170324       1.29904179 
Hf       5.49808022       7.68713263       2.77029911      -3.34186248      -3.07942325      -1.55558601 
Hf       5.39832634       7.44789591       7.87152896      -2.31137219       2.50134262      -2.61171262 
Hf       7.70935038       7.85403733      10.24044752       0.70225753      -4.11969792       0.79170458 
Hf       7.80438965       5.21667414       2.50747241      -0.21570762      -2.22532565      -2.85848260 
Hf       2.53664307       5.05641296       2.38923952       1.63183834       2.48912634       0.95880249 
Hf      10.39559638       7.72974660       2.58282748      -3.99937686       0.14159356      -2.46910968 
Hf       0.14093534       5.35144289      10.09744772      -0.20280913      -2.01488511      -0.44438156 
Hf       7.65744357       2.15661996       4.88515348      -0.63855705       2.57909301       0.80598347 
Hf       0.07955913       8.04336492       7.69266820       0.30276170      -3.45421916       1.64985430 
Hf       4.73640921      10.08039839      10.31057179       2.03732481      -0.45301289      -1.56758462 
Hf       2.46047091       7.77143996      10.33276359       2.46989238      -0.35873600      -2.85388006 
O       0.26749127       9.58160463       1.71300348       1.45051371      -1.91933962       1.07097402 
O       1.20313553       6.79667095       0.90685573      -2.08878872      -1.44320732       1.67311518 
O       1.14337175       1.44573336       6.34117240       0.28673740      -0.20321002       1.14731697 
O       0.71870453       1.21874011       3.90571330      -0.08197309       1.03322956      -1.52507549 
O       3.63951241       3.84323888       0.95801148       0.89324805      -1.34026184       1.08048646 
O       0.72994890       1.92765530       9.38818088      -0.95333809      -2.96600326      -0.46376061 
O       4.41084288       4.04881252       3.60041613      -1.64842429      -0.03679161      -1.46848559 
O       6.77879907       3.78828641       0.94781583      -4.29433751       0.87354246      -1.40350043 
O       3.11978531       1.54455857       3.43331990       1.95276604       0.57353382      -0.77199034 
O       1.69178713       4.09082856       3.97875911      -0.53133113      -0.32391012      -0.41061270 
O       1.01618126       1.31746568       1.49859960       1.70801027       1.21655235      -1.84549776 
O       1.12781741       6.72980239       3.51518484       2.83734789      -3.56632406       0.19096644 
O       3.63996999       0.92063877       0.73703629      -3.28812034       4.55436218       2.25178149 
O       1.28278918       4.01469512       6.62435888      -3.43396967      -3.26422452      -2.60814196 
O       1.24173237       9.24359912       6.45834653      -1.76064794       0.56794014      -0.09265728 
O       6.01097279       0.94146912       3.63464385      -1.99956338       0.05287721       0.36604889 
O       6.22548080       9.08935977       9.09022439       2.28457544      -1.65726670      -1.16759558 
O       9.02880663       1.01655207       6.67441097       1.18129028      -3.86695561      -0.18907860 
O       4.47627620       4.48756065       8.64470138       1.23991616      -1.25464686       0.24030225 
O       3.46562184       9.75968597       8.79034818       1.68177477      -0.99555204       1.29155507 
O       1.07665527       4.02557944       1.40591847       0.66787226      -1.00473655      -0.93837648 
O       3.73927309       8.69090327       6.55544806       1.16849830       2.22078128      -1.24688897 
O       1.06199872       9.27758684       9.16480956       2.15071579       1.88851719       0.18043695 
O       1.67233842       6.63463941       8.74993860      -2.11807482       0.64675201      -1.04648056 
O       1.72246471       9.26218363       3.87382289      -1.56106143       0.45518832       0.56426713 
O       3.70350537       6.63295781       4.11867619       0.87703778      -0.66251858      -0.92576733 
O       3.45235153       9.05751615       0.99349032      -2.24725694       0.31345370       2.58805482 
O       4.31139159       9.00729796       3.86107412      -2.17734404      -0.20683977      -2.28428404 
O       2.13647252       4.16835725       8.95872611      -2.76800838      -1.75233272       5.20689004 
O       9.05081914       4.23152213       1.14104909       2.32045952       2.19247393       1.11992904 
O       6.49652932       0.94914702       6.47579159      -0.97897955       1.51117838      -0.16317408 
O       6.85582465       3.08927434       8.46235914       0.05852778       1.96489723       1.50345017 
O       3.75450727       1.01201131       5.91736236      -1.06451187       0.98321732       2.29058591 
O       3.82511833       3.85225467       6.07047502       0.41612452       0.21248784       1.06056101 
O       9.54356250       4.23618608       8.61807254       0.39222910      -0.84378622       0.71719268 
O       8.94696021       6.31228349       6.59998132       1.62385568      -1.28125367      -0.40832814 
O       8.66620178       3.15698825       6.63249437      -0.87384562       2.26843456       0.82828414 
O       8.55577018       1.05373293       9.41853945       1.89194923      -1.68842771      -1.81994543 
O       6.06840219       1.04160083       0.89621191      -0.07202516      -1.70700912       3.90028981 
O       8.90617291       1.88360358       1.38510863      -0.83529168      -2.24629829      -0.92751688 
O       5.96735930       8.80602299       1.04383233       0.00081562      -0.22966151       2.28083632 
O       8.75280812       8.69759860       6.87787819       2.86709578       3.31543300       3.26158776 
O       1.05524446       6.55555963       5.89668178       1.89434850       1.86155951       2.52979874 
O       6.57924328       6.52043433       6.32845492      -1.56373883      -1.25578244       0.40277838 
O       9.48719019       6.58929073       9.29308645      -1.97598244       1.67501498      -0.35028540 
O       6.43521487       3.88708702       6.02237299      -0.42535339       0.77098980       0.05191641 
O       6.46864234       9.00890536       6.40575848      -1.03905102      -0.02503001       0.42580406 
O       6.55695174       6.19572927       8.87889140       1.66584393      -0.40903560       1.41340550 
O       4.08295735       7.18038664       9.31758018       1.57933504      -0.28291929      -0.29900256 
O       6.65587188       6.32626078       1.22759096      -2.71480028       0.44324802      -1.57546098 
O       8.72201572       7.03556824       1.42142917       3.24759097       0.65404330       1.72186332 
O       8.42905192       0.49149265       3.57280671       2.06719111       0.27904648       2.15353147 
O       9.59394051       8.28100418       4.39067923       1.10131740       3.02125323      -0.76875808 
O       8.29337261       9.36477437       0.70507336       0.98143470       4.50909812       2.68793711 
O       6.82609960       3.48434555       3.37061365       1.14909602      -1.28696617       0.59633181 
O       6.37280418       6.21326141       3.67230124      -0.08470087      -0.30511953       1.62386722 
O       6.79662060       8.76065840       3.91310798       0.27819647       0.26327559      -2.41306890 
O       9.47031627       8.88182832       9.25088328      -4.44199759       0.33221401      -1.43003584 
O       9.13768630       5.92134800       3.90488092      -4.20371081       2.66044571      -3.58984007 
O       9.37415188       3.47042174       4.57920573       0.48044201      -2.16644644      -3.93112263 
O       3.87505037       6.41626675       1.10900044      -0.25529502      -1.31975510       1.45363498 
O       3.26411064       1.75285657       8.60507624       0.32169530       1.18308624      -0.05545292 
O       5.93942668       1.08350666       9.11465605      -1.43199545      -1.81493432      -0.98463877 
O       3.97905248       6.35990344       6.67481947       1.68885968       0.25084576      -0.57857955 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00166169075583605 -0.005122707848465443 -0.01878908599038771 -0.005122707848465443 -0.016479732812988007 0.011666763200343412 -0.01878908599038771 0.011666763200343412 -0.044698068908433794" pbc="T T T" energy=-924.6655303 free_energy=-924.66890518 config_type=crystal 
Hf       0.06152032       0.23097124      10.24436010      -3.61737790      -2.73772871       1.08919477 
Hf       5.49633707       2.30640551       2.23718311       3.05125040       2.77130182       4.08724418 
Hf      10.45210266       2.64658674       7.64636039      -3.34221014       3.99178375      -2.82020826 
Hf      10.25643830      10.42676828       5.15094483       4.82485474      -1.99782432       0.41047377 
Hf       7.78158349       4.98392134       7.24802027      -1.63445298      -1.75108431       4.95366212 
Hf       7.74413678       7.35162833       5.04085673      -0.66101641       6.94827796       0.33777158 
Hf       7.74358124       2.49684200      10.19338186       0.54762138       2.06398955      -0.41348390 
Hf       7.50417152      10.41468055       2.91674751       1.33914494      -6.07420457      -0.56370714 
Hf       2.40028272       2.55159540       5.17380217       1.08452788       0.41035544       0.38381685 
Hf       5.33433715       2.33572511       7.83889608      -0.20790359       2.70081179      -2.73362668 
Hf       5.03607065      10.31503479       5.64460021       1.82313922      -0.23104468      -3.41133764 
Hf       2.34184082       2.65018533       9.92955826      -1.34009932      -1.78278002       2.67833112 
Hf       2.89998527       0.05962584       2.66377506      -4.38905059      -0.26163254       0.53283480 
Hf      10.21591715       2.25857268       2.23466871       1.07942423       3.70429456       2.00986088 
Hf       2.59663910       0.12074625       7.89600239      -2.77253927      -1.48703656      -1.33893935 
Hf       7.76449124      10.12041884       7.81524006       0.76160749       0.62921105       0.68187009 
Hf       2.51966690       5.17499637       7.67649017       0.12870166      -2.59871341       0.57596715 
Hf       4.90361115       5.26934644       5.36489615       0.21243015      -2.22571008      -0.12305889 
Hf       9.99239963       4.98464560       4.79298279       2.50532333      -0.85946506      -0.83809637 
Hf       2.16469024       7.94332940       5.09375123      -0.21835497      -2.98230859      -2.05515987 
Hf       5.10538180       5.23224857      10.05362889       4.89534647       1.12345279       1.01543517 
Hf       4.59186994       7.28799938       2.63677928      -1.06780921      -1.95145824       0.38280230 
Hf       5.01697998       7.86800091       7.92478423       2.83232748       0.43858158      -2.04036869 
Hf       7.92507572       7.37977989      10.08792662      -0.83012825       1.02385781       3.18529823 
Hf       7.39775067       5.46953742       2.40766736       2.38459283      -2.82116852      -1.35097702 
Hf       2.23347620       4.62330151       2.81316594       0.26103148       5.11459265       1.29541690 
Hf      10.31847681       7.93155838       2.10719982      -2.34813220      -1.34696405       1.30888955 
Hf       0.20081603       5.24347200      10.45811988      -3.52729720       0.00768773       1.56089259 
Hf       7.72264047       2.32603665       4.84878375      -3.56323417       5.43509304       3.99751958 
Hf      10.37927360       7.81159092       7.68016308       0.40270890      -0.66021742      -1.43125769 
Hf       5.27224338      10.26295508       0.11599794       2.41395780      -0.07187505      -0.45471759 
Hf       2.56232650       8.29264092       0.01292105      -4.66010408      -0.96002830      -0.00906790 
O       1.33836062       9.21430098       1.70268726       1.72390396       0.45118930      -1.88725839 
O       0.59291913       5.89983975       2.82216802       0.91412798      -1.96095234      -0.20342418 
O       3.84464742       0.96169223       6.75201963       1.29314865       1.55601490      -0.69861134 
O       0.72844229       0.80458818       3.49719658       3.14009069       0.85795064       0.77842232 
O       1.36434515       3.85726756       1.25764444       2.79693262       0.32556660      -1.50292996 
O       0.99643499       1.45596187       8.73586020       3.88315322      -4.91779999       0.40550930 
O       3.72044220       3.97192185       4.50179971      -1.79893735      -1.79768788      -2.37848412 
O       5.93041424       3.23263250       0.69742382       0.11717196       2.23437783      -0.55605285 
O       3.50069564       1.08485732       4.44526140       1.44062339      -2.03751569      -4.04141795 
O       1.06405428       3.43490867       3.98831140      -0.25750014      -0.22261343      -1.93010756 
O       1.70243596       0.91533230       0.44942449       3.65037204       0.34075068       2.41720493 
O       3.90566055       5.45612541       1.57638880       0.98623389       1.56047261      -0.20361175 
O       4.14450897       1.20602703       1.54665411      -1.88344423      -1.19186171      -1.15430264 
O       8.71155277       0.78329941       4.54517980      -0.66176425      -1.46961197      -0.91175257 
O       1.73111534       8.74999564       6.80203383      -3.68895358       0.80495080       1.03508316 
O       6.27500676       1.26091094       4.02882459      -0.59266364      -0.17615571      -2.92512302 
O       6.42523336       8.98443381       9.30229461      -1.08963503      -0.16963238      -0.25315811 
O       1.43163518       0.99889109       6.00339746      -1.94734943      -1.37501644       2.12150846 
O       3.86195789       6.55225148       8.84553729      -1.21409550       0.07593540       2.92300471 
O       0.95533338       8.85020260       9.19188573       0.96541954       3.24516082       1.46127019 
O      10.45076612       2.60263090       0.32065904      -2.40879250      -3.05624579      -1.52757761 
O       3.92723223       8.72684472       6.38935522       1.23534909       0.82465886      -0.83380459 
O       8.80973598       8.35060378       8.67537174      -0.38066304       2.56386197      -1.50784591 
O       1.42221790       6.76914526       0.72071404       0.10093715       0.28874833      -1.14719313 
O       0.49653181       8.66912583       4.07120716       0.47387404       1.96829162       1.48555134 
O       3.14353887       6.21525187       3.86553188       1.66225153       3.28578170      -0.20784962 
O       3.78957511       9.17622934       1.32548049       1.55988331      -1.26223507      -1.60684576 
O       3.42463117       8.90582805       3.68318713       1.09592988      -0.67414517       0.75643547 
O       1.18051996       3.71296316       8.81121433       1.46220306       4.60701547       1.79757507 
O       8.70030998       4.28729599       0.98155634      -2.13531179      -3.70260080       0.72376831 
O       6.51884138       1.33100340       6.46628567       0.40335814      -1.36204800       1.06164803 
O       6.31232546       3.86822149       8.93583904      -0.49268090      -0.23945818      -0.53893407 
O       4.02216830       3.83199169       6.90834834      -2.26332755       0.34256238       2.46714236 
O       1.38545244       3.74294788       6.33054617      -0.35732359       2.17516260       3.21629392 
O       8.75895869       3.40994825       8.79217966       1.33573813       0.07344836      -2.56572348 
O       9.37846458       3.77654155       6.24808895      -3.06087467      -1.57390999      -0.11545418 
O       6.22717748       3.66151048       6.27178128       3.14713095       2.79899731      -0.97478980 
O       6.29082830       1.33241069       9.15161503       1.45762228      -2.90895035       1.95360288 
O       6.93077646       0.98878326       1.31936813      -1.35647047       3.65880181      -0.27825317 
O       8.74007002       0.80035021       9.45752500      -0.19614938      -0.95959100       0.89584953 
O       6.37640990       9.31500162       1.40373261      -1.26088173      -1.22720937       1.30269176 
O       8.92245685       8.59279698       6.30696101       0.93387215       2.87335031      -0.99846006 
O       0.74669775       6.44142823       8.77642217       1.79217957      -3.20287423      -0.86724194 
O       8.71878010       5.84402193       9.35752014       1.97289627      -0.78104148      -0.44125720 
O       9.10207097       6.29201580       1.54729810       0.24545975       2.66452405      -2.57056081 
O       9.22348580       6.09177761       6.59696748      -0.36298553       1.84444484      -0.73086078 
O       6.25417347       9.37195534       6.76985602       0.67239648      -1.35101315       3.93222338 
O       6.44645169       6.26816678       8.54376064      -1.40445311       1.65946595       2.53821539 
O       3.52127439       6.26696369       6.50481792      -0.12535181       1.47373347      -1.99111084 
O       6.29588735       6.52746343       1.21303551      -1.72918304       0.56181902      -1.80381636 
O       8.36659331       5.86578221       4.07546533       0.65482177      -2.63178970       0.32676309 
O       9.44832176       0.58633882       2.19970815      -3.34447195      -1.71669345      -2.57044004 
O       8.36871166       8.08084574       3.07202992       0.67390522       1.73155522       0.75198858 
O       9.25295349       8.88934075       0.56321322       1.04570164      -0.66821982       0.30934763 
O       6.08360215       3.97055277       3.54201170       1.63902379      -0.51324243      -1.54450731 
O       5.81309557       6.56664501       4.01153673       0.40508590       0.82329584      -2.10262933 
O       6.80226157       9.30050531       4.55995724      -1.58698650      -0.01517297      -1.57048511 
O       9.40406250       1.17105925       7.20854093      -2.59096859      -5.11980634      -3.14592179 
O       0.70986551       6.45778136       4.95784271       2.57502652       1.46837822       3.94599854 
O       8.98049465       3.33518064       3.72943193       0.18519508      -0.60279950      -1.82637855 
O       3.68909206       9.31743209       9.03792803       1.29307609      -1.89136533       1.11220343 
O       3.90358835       1.20289219       8.97025839      -2.16162968       3.07269153       3.27311144 
O       3.65362587       4.21212209       9.73745775      -4.47117638      -3.40585938      -1.69910221 
O       6.37014064       6.73245903       6.33474709      -0.45235291      -1.63202561      -0.09446833 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03996249645562173 0.00212493859653254 -0.0033736677965635685 0.00212493859653254 -0.032033761542702446 0.004011750025905758 -0.0033736677965635685 0.004011750025905758 -0.04602925409882501" pbc="T T T" energy=-924.45609306 free_energy=-924.45797331 config_type=crystal 
Hf      10.34884962       0.26077814      10.37400764       2.21887675      -3.00746404      -1.45501372 
Hf       5.55699603       2.32968611       2.31180524      -3.11454629       3.33212973       0.39965063 
Hf      10.32966915       2.78802048       7.69015485       1.66984682      -3.14237604       0.99396049 
Hf      10.21238157      10.41501369       5.17817736      -0.49950444      -1.48014410       0.28436385 
Hf       7.67561771       4.88790693       7.37280606      -0.57446009       1.03858076      -1.10134703 
Hf       7.83942013       7.36060759       5.02584642      -0.97173629       3.83585518      -0.90025159 
Hf       7.88141408       2.52486284      10.13844331      -0.87564448      -1.05795129       1.08619858 
Hf       7.70196375      10.38787452       2.81493745      -3.07898258      -2.20459338      -1.05864696 
Hf       2.40921667       2.62988530       5.11348473       1.64836946      -4.18039256       1.01446604 
Hf       5.31329380       2.37892487       7.88950675      -0.50968988      -2.62166530       0.61148067 
Hf       5.05947757      10.29470147       5.48248265      -0.53057249      -0.72845009      -1.08345374 
Hf       2.38583654       2.65357575       9.91528048      -5.12005872      -2.52494736       3.66593887 
Hf       2.74115482       0.00237154       2.68720533       3.09353950      -1.07543137      -3.34676841 
Hf      10.24142423       2.46765219       2.15467534       1.12171853       1.42226683      -0.92600105 
Hf       2.48207880      10.35173735       7.85945411       1.18974984      -1.06700567      -0.02101983 
Hf       7.73284480      10.17663280       7.77721552      -0.94988523      -1.60865040       3.46973407 
Hf       2.64532336       5.10776443       7.74634808      -3.11438015       3.20950697       2.80129439 
Hf       4.87367991       5.34299730       5.32342257       1.07378036      -0.96115867      -2.43217556 
Hf       9.95032937       4.94314638       4.87113317       2.21852566      -0.79589741      -0.74309285 
Hf       2.08952356       7.82587090       5.05084745       3.52064730       0.55777295       1.60329636 
Hf       5.01978220       5.20306305      10.01156094       1.44820895       2.27871014       1.78636377 
Hf       4.70403977       7.14391047       2.58148122      -0.96991447       5.38779548      -5.13704832 
Hf       5.09870907       7.87482173       7.94269483      -2.81151466       0.64418010       2.92842660 
Hf       7.89077871       7.42139016      10.16266126       1.81493640       4.72382353       1.90243027 
Hf       7.34650502       5.21626721       2.21010475       1.07741437      -0.73314480      -2.01741856 
Hf       2.29918834       4.60993554       2.86267693      -1.54573952       4.17999990      -4.27613244 
Hf      10.36262523       8.07895523       2.17678163      -2.36190618      -2.25135918       0.63830609 
Hf       0.14204004       5.31868997      10.41672868       2.01191217      -0.94283136      -0.04948370 
Hf       7.74057388       2.36560663       4.84496537      -3.61448320       2.06073662       0.32264056 
Hf      10.31973233       7.74972846       7.80383002      -3.11188405      -2.58831140       3.59437359 
Hf       5.29948020      10.22851071       0.31202725       0.06981146       0.58034117      -1.63186821 
Hf       2.60534028       8.15269411       0.02940322      -0.30091906       0.52311555      -0.90866796 
O       1.24261048       9.12340726       1.46861624       3.77020922      -0.28672707       0.56093417 
O       0.72807293       5.67717563       2.49789971      -1.30253672       0.32989739       1.92108196 
O       3.79862953       1.04075924       6.59408017       1.15588945       1.93003013       1.49382313 
O       1.08085944       0.67090864       3.11230532      -4.22189071       3.47889943       2.75520436 
O       1.71658930       3.66187428       1.16928700      -0.46882463      -0.28813292       1.38746014 
O       1.21720336       1.08570341       8.63192875      -2.74680548       4.21098672       0.80591296 
O       3.55799861       3.99527299       4.31133057       0.04827159      -0.86549565       1.40216660 
O       5.82464397       3.78482283       0.74590033      -0.18559908      -0.43942107       0.76067215 
O       3.93701069       1.38815095       4.13795378      -3.91692874      -0.42279545       1.10075389 
O       0.97511482       3.28180941       3.69915395       1.66316104       0.08388449       3.18833047 
O       2.14845004       0.67262112       0.73507995      -2.99449229       2.15464470      -1.22745660 
O       3.62939704       6.22964520       0.98366884       1.73573297      -0.28734196       3.80130757 
O       4.13748018       1.15657528       1.73976848       1.83222607       0.57188017      -1.34696438 
O       8.69965710       0.85088688       4.29225424       1.04823721       0.64778712       1.12040387 
O       1.15022125       8.41816980       6.85551569       6.01694825       1.73851525      -4.67260525 
O       6.16469719       1.38179053       3.91385182       3.27287247      -0.67347922       0.98494685 
O       6.43597471       9.31279943       9.36656566       0.51368562      -1.14782937       1.08400623 
O       1.24125291       0.45228480       6.19766970       2.41617555       2.81835700      -0.05794658 
O       3.75256129       6.73464155       9.28629765       0.30685864      -0.45361272      -3.93094487 
O       1.14876059       9.20126229       9.06539322       0.40991512      -1.38539221       1.94187770 
O      10.11207351       2.20546739      10.41000729       0.50462430       3.31380500      -0.08526332 
O       3.76744015       8.93016092       6.39546194      -0.59763533      -0.31163005      -0.28468907 
O       8.94591014       8.91533272       8.71792009       0.34273216      -2.62447088       0.37313328 
O       1.31319338       6.68362542       0.49295854      -1.47046735       1.24923010      -0.45466822 
O       0.65908529       8.90444316       4.38587953       1.40749992      -1.74261906      -3.00058749 
O       3.41420035       6.48341884       3.72191155      -1.52776221      -4.02238822       1.82426062 
O       3.84193280       9.20567798       1.20778137      -0.71025378      -2.37278795       0.40923716 
O       3.69558152       8.71978004       3.57412723      -1.04607034       1.93327643       1.70331054 
O       1.24049338       4.04832051       8.93078324      -2.50321246      -4.64802180       1.59570356 
O       8.55491060       3.82816891       1.09321531       0.91676032       1.24449179      -0.17473754 
O       6.98658580       1.24595024       6.75548865      -3.95289680       2.49725011      -2.06532351 
O       6.38363356       4.21761150       8.70591682      -0.86631365      -1.89485318      -0.03814596 
O       3.82784655       3.66959290       7.49504405       2.38038682      -1.45297216      -3.51512273 
O       1.32866473       3.81756707       6.67825814      -0.78762648      -1.78609357      -3.88713585 
O       8.93632624       3.83653413       8.47363176      -0.30807257      -1.14793124       2.61758712 
O       8.73943661       3.43152421       6.13962918       4.18214033       1.83910133       0.81436165 
O       6.49262396       4.06037590       6.00129783      -1.96834518      -2.23376185      -0.34024142 
O       6.07828228       1.28128550       9.39183170      -0.07087877       2.93207794      -1.64266702 
O       6.91131812       1.58539706       1.31758364       0.98497609      -2.24003230      -0.33837378 
O       8.32880216       0.61353095       9.98310292       0.91848113       0.29563681      -2.14664262 
O       6.24000234       9.32318075       1.80555127       1.50092156      -0.06273889       0.02553811 
O       9.20320000       8.98099996       6.04001147      -2.86873144      -2.75589768       1.44855637 
O       1.01874579       6.02569716       8.46922999      -0.98340536       4.38482932      -0.86203299 
O       9.26262060       6.21080552       9.40370633      -2.47585322       1.18257785      -2.15257190 
O       8.90181593       6.76524786       1.31374736      -0.31062916      -1.61201238       1.68942057 
O       9.21332197       6.16623426       6.44386121      -1.80357561       0.38088893      -0.63781472 
O       6.19875609       8.97524041       7.00601860       2.82078889       3.19673071      -3.49609175 
O       6.51615062       6.94640647       8.98676129      -1.63342594      -3.75392358      -3.26731491 
O       3.33846232       6.21577298       6.17340591       1.25473204      -0.15002366       1.60671565 
O       6.28204507       6.26368390       0.77427378       1.54551430       1.28371195       2.68243471 
O       8.48393657       5.73026575       3.87260421       0.44951954       2.69270226       1.61868334 
O       9.12464008       1.03057709       1.85193611       0.72931894      -2.07324051       0.14510611 
O       8.78692364       8.88835954       3.54156678       0.60755773      -2.36984180      -1.26005664 
O       9.58252921       9.08792350       0.68847804      -3.03282106      -1.41211336       0.76387852 
O       6.17007525       4.12659251       3.31278329      -0.79412800      -0.51087203       1.20238034 
O       6.28063872       6.74116785       3.59354015       1.26868878      -0.76398615       1.85073024 
O       6.50019636       9.39909147       4.54403417       1.39157214      -1.15357538      -0.38187809 
O       9.25793237       0.76604755       7.32167511       3.54688592       3.57966199      -1.11233138 
O       1.05847957       6.21502643       5.14211847      -2.06298921      -2.17970743      -0.81333398 
O       8.93388552       3.41298543       3.47938970       0.36607279      -0.75827829       1.26810314 
O       3.97257044       9.25078856       9.24838217      -0.96047346       0.31860094      -2.05721984 
O       3.57797785       1.53372898       9.16144342       4.80759812      -2.67078282      -3.43828374 
O       3.45416375       4.20428112       9.68201431       0.74880520       0.77977684       0.10264121 
O       6.23411081       6.30606280       6.33582218       1.45111641       3.07491025       0.65253012 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008150061728824848 -0.0007704651184983764 -0.004836885240611296 -0.0007704651184983764 -0.017362379265096317 0.025852151911515398 -0.004836885240611296 0.025852151911515398 -0.02789764768735789" pbc="T T T" energy=-923.07948203 free_energy=-923.09095482 config_type=crystal 
Hf       0.13036521      10.18856353      10.42262188      -1.72501165       1.61634298      -1.44983744 
Hf       5.10791315       2.09465587       2.52270785      -0.44734185       5.43242841       2.43795303 
Hf      10.05842209       3.01485820       7.56739637      -0.08171530      -3.20776478       5.69308148 
Hf      10.44621877       9.99990483       5.10167101       0.50963031       6.30450449       3.28768009 
Hf       7.56251158       5.22572196       7.92277608      -3.56479708      -0.16781557      -1.62951956 
Hf       8.08875453       7.65736895       5.27111083      -2.55831340       2.65601502      -2.45712734 
Hf       7.90588071       2.71695037       0.46842734      -3.38645273       2.61405147      -4.48381799 
Hf       8.00387291      10.06363719       2.62204036      -2.81961977      -0.31241264       1.54786067 
Hf       2.48627271       1.91733688       5.61119755       1.12612241       2.58645628      -2.21311971 
Hf       5.32906543       2.37373228       7.92921981      -0.11019477       3.55588133      -0.87152127 
Hf       5.40349989       9.92805186       5.04764511       1.49912594       2.21880301      -0.93564932 
Hf       2.01746398       2.64365442      10.26911653       1.87591970       2.20968365      -2.61882369 
Hf       2.17186398       0.39803963       2.78317892       0.06071249      -2.41188331      -1.21109851 
Hf      10.32863844       2.58933014       2.39623639      -0.62015322       3.17920692       2.37719829 
Hf       2.50630292       0.00899528       7.90710159       0.52602518      -0.92401327       1.89764360 
Hf       7.42294198       0.13957819       8.13399792       2.56291349       0.45217076      -3.26590481 
Hf       2.41366031       5.05919561       7.00761250       1.28515470      -0.37474038       0.90884606 
Hf       5.28617494       5.05979386       4.86852625      -0.11991923      -1.56313435       4.69885421 
Hf       9.79012848       5.04643511       5.11155152       1.98533370      -0.29329789      -2.82000697 
Hf       2.45439413       7.91159996       4.87670297       1.18305909      -2.85803674       1.08742938 
Hf       4.77408324       4.77319403       0.00231272       0.74116462      -1.05518596      -3.23212919 
Hf       5.13608178       7.77087416       2.14439470      -0.49703467       2.40225848      -2.86631119 
Hf       5.19704185       8.21455511       7.75391724      -1.15450267      -6.31936120      -2.46971864 
Hf       7.71356030       8.07148362      10.09519069      -1.17518379      -2.01507469       0.30860505 
Hf       7.51316607       5.34969755       2.37037032       1.04445435       0.26371685      -1.66007084 
Hf       2.42169594       4.90498065       2.51004302      -1.42131830       0.49359378       0.67098623 
Hf       0.08364346       7.75003826       2.26515184      -0.55197131      -1.78734516      -0.92273989 
Hf      10.26334955       5.51368794      10.28347511      -0.24298681      -0.78475205      -0.47472921 
Hf       7.74437918       2.11354181       4.86691121      -0.74584366       1.91054121       2.54177528 
Hf       0.33650916       7.74101461       7.61313722      -3.88902578       0.74056641      -0.94067887 
Hf       5.01572446       0.19402105       0.26616018      -3.21812516      -5.54044430      -4.18107637 
Hf       2.53205092       7.45012689       9.89250488       4.04444362       0.18616163       0.82146626 
O       1.28709518       9.03957269       1.04191492      -0.22800504      -0.20729415       2.27799953 
O       1.27122350       6.43366430       0.96620107       0.34866452       3.11228521      -0.72273678 
O       3.81222732       1.33032990       7.13439973      -2.44280993       2.04234364      -3.17561218 
O       0.92339871       1.54249202       3.94419825      -0.30671543      -0.38159121      -2.34645108 
O       3.84000869       3.02539630       0.64371337      -0.33012751       0.85333104       2.64806875 
O       1.07002755       1.21164539       9.30822675      -0.39196532      -0.62791442      -3.41245336 
O       3.76624386       3.63419150       3.35074022       0.63889257       0.80715910      -2.31216975 
O       6.17917959       3.93363534       1.35607225       1.44533338       0.39061943       2.09545604 
O       3.42374636       0.83891941       4.18527984       1.46629387       1.29145215       2.18169093 
O       0.94302063       4.14417426       3.64634516      -0.83887829      -0.11821759      -0.16591181 
O       1.07496373       1.26154959       1.11845905       1.64886242       0.72534507       3.87967791 
O       1.52997570       6.61602329       3.62834215       0.11407149       1.98025640      -2.60728734 
O       3.83014650       0.73821719       1.75735327      -0.08443983       0.34417783      -0.31107835 
O       8.89335087       0.81107880       6.01444589       0.26001720      -0.57481615      -1.07781029 
O       1.57658734       9.07920944       6.32391384       1.04615352      -1.02456492       1.53261804 
O       6.28242928       1.02439628       3.77586879      -0.73662640      -3.10953165       1.06700720 
O       6.03722296       9.22379696       9.09171174       2.93675776       3.36009960       4.11676741 
O       0.94804818       1.00108052       6.29508899       0.35560641      -0.33748280       3.71847647 
O       3.67237837       3.74887771       8.96707866      -0.32601728      -0.47767082      -2.38663870 
O       1.17069408       9.14533866       9.02955277      -0.53878560      -1.88040024      -1.07154581 
O       0.95697930       4.28071662       1.15799827       2.84265149      -5.12239008      -0.27097670 
O       4.40135747       9.62689083       6.71285081      -1.77219530       1.50553331      -4.88544817 
O       8.93271310       9.33604476       8.97250580      -1.16176415       3.27271656       0.18515210 
O       1.27668853       6.31846388       8.50054570       1.37267428       1.08764478       1.44323028 
O       1.44212692       9.35527221       3.95655266       0.33495905       0.22548838      -3.92997804 
O       3.15904967       6.24070672       5.65051969       0.14533223       1.40419452      -2.40825864 
O       3.92812510       8.70415568       0.79018146       0.11489003      -0.34092377      -1.56156432 
O       4.31383638       9.19017974       3.38325745      -1.67391121      -1.91462325       2.57992937 
O       0.79723285       4.13005766       8.98078352       1.90726139      -3.52715785       0.44372718 
O       9.17048957       4.28263748       1.31304905      -3.69279826      -2.44869712       0.26681893 
O       6.35765781       1.12155517       6.50079137      -0.31786738       0.05456929       0.02760313 
O       6.55355661       3.85848708       9.47896941      -0.85337382       0.37994559      -1.27280971 
O       3.24531440       3.66581743       5.54683157       1.82687386       2.04039811       3.07696558 
O       0.96896247       3.74449101       6.43728843       0.92007072       0.02080450      -1.12714462 
O       9.01184218       4.40300914       9.06938555      -1.59289805       0.33864345      -1.78330850 
O       8.98995924       3.69603408       6.17020556      -1.77286730       0.11152314       1.23502371 
O       6.63955036       3.68645625       6.70438659      -2.15098161      -0.12797522       1.56601531 
O       6.02809549       1.06641682       9.14168146       0.98337261       1.07582994       0.69857115 
O       6.26806212       1.27777911       1.09896147       3.98413297       3.25488410       1.42524084 
O       9.33295336       1.53772278       0.51005990       0.80455398      -1.36850378       1.91649506 
O       6.49733093       9.29106679       1.46806760       0.25757177       0.04581533      -1.66525473 
O       9.84627023       8.47564357       5.90039152      -1.39751078      -3.37736100       3.73426510 
O       0.96128918       6.23535776       5.96140685      -2.89536010       1.11732855       1.82477493 
O       8.54952071       6.73650422       6.82515303       5.43752931      -0.58933713       5.97531901 
O       9.31396233       7.17349036       9.31150110       1.64963845      -2.04313420      -1.17604155 
O       7.39690553       5.74985460       5.59621110      -2.01042789      -1.90237855      -5.19176429 
O       6.84430566       9.01407776       6.60817531       0.45556588      -0.59311360      -1.43437186 
O       6.30611701       7.01271372       8.73251186       6.62218569      -4.72627903       2.47419240 
O       3.97345892       6.20724209       8.84649704      -2.41854854       1.21470378       2.36565843 
O       6.52569025       6.75037559       0.95740936       1.14848649      -1.48133324       1.21761502 
O       9.11433118       6.62712395       1.09939487      -0.33614585       1.24229997       0.98337549 
O       8.52527178       1.54608214       3.11457952       2.02806724      -2.91101791      -2.67509357 
O       9.38042239       8.97957237       3.86574131      -2.21956076       1.05827031      -4.91220225 
O       9.18591465       9.28990200       1.26673172       0.61679839      -0.50238503      -0.66881110 
O       6.49642749       3.28397759       3.80421283      -2.16293868       3.64747745       0.07635527 
O       5.33133984       6.31550865       3.41969060       1.27471158      -1.38464491       0.68230285 
O       6.75099980       8.91853872       3.89546637       1.43153353      -1.26825347       0.98546464 
O       8.53685797       1.88474074       8.69144552      -0.64851654      -0.92823670      -0.66745307 
O       8.83145554       6.70913646       3.37833299       0.08533945      -1.81316833       2.86878349 
O       8.95622448       3.57740315       3.82921720       1.02168697       2.26961115      -0.06156697 
O       3.90181548       6.10149422       1.19470595      -1.35537007      -0.07288974       1.15990873 
O       3.45084649       8.73542157       8.41943537      -3.20737646      -0.68842809       3.18885829 
O       3.59940091       1.06832135       9.37241292      -0.82371360      -1.31509290       2.20283259 
O       5.04650126       6.23853268       6.52796560       3.08592699      -0.16257621      -0.47387629 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03214917896772246 0.009754708417974689 -0.013851550142404875 0.009754708417974689 -0.03571115398714973 0.01938899028153888 -0.013851550142404875 0.01938899028153888 -0.054928077745921386" pbc="T T T" energy=-924.07601808 free_energy=-924.07620314 config_type=crystal 
Hf       0.03400667      10.20184200      10.39681590      -0.34528098       1.81666317       0.30103777 
Hf       5.11538916       2.20887445       2.49023647      -0.41941617       2.78114133       2.26070063 
Hf      10.05692166       3.03554977       7.57732597       0.85855392      -4.00392072       2.24065098 
Hf      10.46547009      10.17711592       5.22054066      -0.34344394      -0.63553862      -0.31731769 
Hf       7.60060070       5.14144246       7.93072631      -3.76955617      -0.47366250      -4.05860424 
Hf       7.98929883       7.53249860       5.24337980       0.79463185      -0.44768550       1.36270448 
Hf       7.82374134       2.74348439       0.48534082       1.57134819       0.63823376      -5.50816885 
Hf       7.99920519      10.01529266       2.60217970      -0.69950315      -2.49239831      -1.14272864 
Hf       2.62145425       1.97107694       5.54832604      -3.89797615       5.59536417      -5.47359756 
Hf       5.29845367       2.43905748       7.92187107      -0.97870371       4.13707581      -1.77448573 
Hf       5.58565573       9.88014084       5.09319129      -0.90485222      -0.08654762      -1.44420848 
Hf       2.09412607       2.65687365      10.30647134       3.99001052      -6.39825322      -5.32481722 
Hf       2.24559239       0.27796061       2.78154399       2.17183616       2.18589564      -3.25652024 
Hf      10.25373562       2.67112747       2.45762065      -0.67106173      -3.34239183      -2.21097002 
Hf       2.45958631       0.08343874       7.79131506      -0.32069522      -0.93034775       3.78992841 
Hf       7.45513905       0.23091462       8.10969938       2.03212097       2.11136763      -2.10839433 
Hf       2.32106950       5.07581688       6.99780567      -1.99861068       1.56829821      -2.54013202 
Hf       5.31543582       4.99834418       4.98053720      -1.44259299       0.73890004       0.84262162 
Hf       9.86222009       5.01567150       5.01977467      -1.14280409      -0.04025760      -0.32149429 
Hf       2.38278533       7.99721745       4.71812371       2.89112854      -0.05592407       2.75493850 
Hf       4.67582865       4.63190996       0.10444127       1.31220534      -0.00565622       0.85180361 
Hf       5.14291862       7.72486338       2.12543686       1.06355741      -0.33224989       2.08875541 
Hf       5.23037293       8.10177375       7.71424563      -0.52470741      -2.65609524      -0.40481637 
Hf       7.67451206       8.06578341      10.10681204       4.93374752      -4.11628780       1.79210613 
Hf       7.61972360       5.40761248       2.33423053      -1.18162083       1.27006199       0.00447655 
Hf       2.38692858       5.01222948       2.60018243      -2.22330752      -0.94843894       2.00863559 
Hf       0.14345780       7.73374960       2.26842451      -5.61411881       4.36473302      -5.39463318 
Hf      10.28755013       5.57324365      10.23658811      -1.13683583       0.58271923       0.05616934 
Hf       7.75951236       2.22496414       4.92563852      -2.14076030       0.84351635       0.09582626 
Hf       0.20830093       7.73177432       7.51129146      -0.85320348      -4.60715501       1.73939772 
Hf       5.07207061       0.16314702       0.16486055      -1.28366061      -1.92612178       0.44411666 
Hf       2.58999202       7.41930110       9.99573939      -4.23839040       3.78982090       4.14993443 
O       1.36289894       9.08409077       0.96237358      -0.22217342       0.06863853       1.45892224 
O       1.29143834       6.59636096       1.08401647      -0.68681134      -2.91769280      -2.10794677 
O       3.63658993       1.50766542       6.94885284       2.83936681      -0.49227372       3.82803107 
O       0.81620064       1.40318428       3.72320423       0.67734563      -1.12138976       3.27114815 
O       3.84269987       3.03330247       1.08250337      -0.09411246       1.06930095      -4.11358040 
O       0.95537870       1.41310101       8.73577103       0.14943124      -1.06872934       5.44890627 
O       3.53312610       3.55229976       3.08777935       0.52197160      -0.24145532       3.49344178 
O       6.17405377       3.98832113       1.99336388       0.76966031      -0.40986149      -4.10337034 
O       3.63308972       0.82697957       4.35336565      -0.59070704       0.15250488      -0.83921318 
O       0.85360600       3.92863082       3.25754865       0.88629996       3.54078853       2.16426272 
O       1.15650966       1.21609771       1.39821943       0.04159442       1.25814211      -2.63104476 
O       1.23820641       7.03845827       3.49120217       3.47793713      -5.01509961       3.45637317 
O       3.86513951       0.82102859       1.56742492       1.06305636      -1.19873314       1.95130240 
O       8.97885889       0.65740829       6.05613099      -0.68632600       0.79147803      -0.28462470 
O       1.61830059       9.12543268       6.36396213      -0.30703861       0.56551945      -0.21812727 
O       6.15126288       0.70931060       3.75738150       1.61348495       1.32071460      -0.69357722 
O       6.57059611       9.36355883       9.32376508      -5.64389416      -0.82432578      -2.06267798 
O       1.04524453       1.32286760       6.75009677       0.89724329      -1.34619652      -5.50430987 
O       3.81943591       3.49420733       9.14720353      -1.95714015       0.32498213      -2.06271964 
O       0.61087860       8.80183536       8.98279355       2.28595016       3.73068675       1.79888634 
O       1.16541482       3.81408224       0.77325866      -3.32307390       5.23968836       3.98547444 
O       4.25456305       9.56612051       6.50153206      -0.23453460      -1.56621103       1.84819597 
O       8.80208770       9.93887726       9.25402711       1.28448850      -2.54154313       0.12647022 
O       1.40211715       6.39158651       8.62633372      -0.01737896      -1.37090853       0.03031033 
O       1.37285062       9.39501635       3.67925979      -1.48803853      -1.51952389       1.42598028 
O       3.11770818       6.30114138       5.20845294       1.63586164      -0.96935818       0.14234156 
O       3.92466340       8.49312003       0.86908258      -0.00594772       0.27872890      -1.00880166 
O       4.23654277       8.80642228       3.83703054      -1.57798538      -1.35698244      -0.82496284 
O       0.87625653       3.88725626       8.76268194       1.54235126       1.34482717      -0.76451505 
O       9.03313493       4.19994749       1.32285955      -0.15542464      -0.37173510      -0.24544273 
O       6.40377241       1.32480050       6.50630789       0.06473009      -2.47920249      -0.58550978 
O       6.24875355       3.83995867       9.63060769       1.65261279      -0.40677413      -1.00063035 
O       3.26153816       3.96699248       5.61483581       1.05214076      -1.94139616       2.32684093 
O       0.75842732       3.92416866       5.84055699       1.44058116      -1.47147938       3.50773236 
O       8.89108934       4.37551695       9.01225277       2.79372768      -1.32361030       1.91380307 
O       8.76124796       3.56437190       6.12761262       0.35217294       1.08661461       1.97145942 
O       6.33366332       3.54541457       6.57140891      -0.89963237       2.78555203       2.71827617 
O       5.84626944       1.07604195       9.07359527       1.53871898      -0.35853720       0.32763199 
O       6.63068497       1.52708232       1.16513454      -5.04202818      -2.55796957       1.16914326 
O       9.05830352       1.18668246       0.82292088       1.17543806       1.77306425      -0.34453722 
O       6.24555476       9.49854256       1.42905390       1.57929567      -2.28403601       1.02451539 
O       9.81233117       8.25660014       5.95891475      -2.14190476       3.69487060      -2.68931369 
O       0.92298194       6.34443670       6.04566730       0.24829656      -0.48762116       0.81841663 
O       8.94580851       6.36693150       7.16632907       0.04021701      -1.10147304      -3.46513040 
O       9.29924738       7.03584622       9.26049345       0.52062706       0.83484205       0.38214020 
O       7.18650696       5.72659808       5.05845910       1.92738898      -0.07694489       2.42838240 
O       6.91812314       9.20766289       6.46609989      -0.10371340      -2.27168047       2.00617586 
O       6.66109734       6.65544695       8.60771414      -0.75547114       3.89347690       1.80067367 
O       3.83747661       6.24367880       9.54080403       4.49319912      -4.38794095      -1.45141406 
O       6.82554185       6.59862072       0.78471015      -3.74124839       0.24059781       1.82167069 
O       8.99705762       6.80211180       1.10155593       2.83016695      -2.36340761       1.34866987 
O       8.60452279       1.21312186       3.08244975       1.01608530       3.00690028       3.55553260 
O       9.48340603       8.88733438       3.72340413      -2.17812767       2.54338816       0.45654674 
O       9.27252455       9.15498578       1.27354857      -1.26445067       0.72053942      -0.98406606 
O       6.40640906       3.63778245       4.14909515       0.94420214      -4.78215152      -0.14008178 
O       5.55888381       6.12243206       3.37365575      -0.01720910       0.81304342      -1.72333144 
O       6.71691777       8.27673784       4.07706446      -1.40337967       3.62525217      -2.36999428 
O       8.37174529       1.85149726       8.95203486      -0.19526902       1.88233581      -1.72481103 
O       8.70012755       6.50719197       3.63761468       4.05794474      -0.79522871      -0.48313621 
O       9.09713564       3.51911678       3.84952299      -1.75774169       0.55064428       0.25511634 
O       3.76198820       5.78964500       1.69218432       3.46772753       2.70638009      -3.01528384 
O       3.33335513       8.60288284       8.72712386       2.55866954       2.43251107      -3.63522623 
O       3.42478994       0.79407939       9.55523378      -1.14516663      -1.10603071      -1.19868526 
O       5.31385908       6.23195341       6.56588715      -1.19199743       3.37034999       2.57759454 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04703128526639901 0.0015164099753164993 0.0062885393153279 0.0015164099753164993 -0.010506586596922586 -0.019895958863813176 0.0062885393153279 -0.019895958863813176 -0.014381905459645565" pbc="T T T" energy=-924.35224497 free_energy=-924.35325709 config_type=crystal 
Hf      10.41807076      10.39087957      10.31803461      -0.13768524      -2.60426272       2.50711269 
Hf       5.06451820       2.45310302       2.30112605       0.36673649      -1.49936282      -0.85699380 
Hf      10.20692051       2.51332428       7.84936113       0.81042194      -3.32871622      -4.23868728 
Hf      10.16709987      10.45242617       4.75015918       3.71653678      -1.74238071      -2.77218460 
Hf       7.54968745       5.35681614       7.74642825       1.85885902       0.70678289       1.35732204 
Hf       7.75496637       7.74125826       5.40677225       2.74431014       2.23577955       0.58254634 
Hf       7.69925416       2.56336642      10.35170344       1.13339252       0.62934467       0.56677832 
Hf       7.49426348      10.35476114       2.29532223       1.97748965       1.72541445      -0.05903554 
Hf       2.97678415       2.40840209       4.99802664      -5.46651990      -1.35603933       1.21272226 
Hf       5.26143420       3.09066436       7.79313995       4.23834561      -1.22900737      -1.82377364 
Hf       5.30225322       0.01155311       5.13077657      -2.51195312       2.34408465       5.05015773 
Hf       2.23995352       2.18579271       9.91679734       0.54386904      -0.21195156      -0.63932242 
Hf       2.47890210      10.20300605       2.63224804       1.31829617      -0.62043911      -0.48335369 
Hf       0.16388960       2.69117285       2.47979413      -1.14012745      -1.69738188      -0.88451648 
Hf       2.15049074      10.16225674       7.28404933       0.45693652      -1.52515681       0.80957539 
Hf       7.73492862      10.20645560       7.80343377      -4.10396200       0.27485184       4.15039650 
Hf       2.65268906       5.14230477       8.11248611      -2.58382408       2.73610085      -4.93893964 
Hf       5.46505936       5.00443792       4.89573554      -2.90125018      -0.06562206       2.70332061 
Hf       0.39635405       4.60628043       4.92443648      -1.68552445       2.76209117      -0.46477500 
Hf       2.01793067       7.81821927       4.83679535       2.31399580      -1.97830263       3.58751367 
Hf       5.31658448       5.26307268       0.21145879       1.60288973      -0.44362976      -2.32927129 
Hf       5.26634295       7.83091330       2.92828409      -3.49839068      -2.27536172      -1.02663655 
Hf       4.93766461       7.85453981       8.10078040      -3.08569380       1.09411907      -0.85034325 
Hf       7.70407322       7.84417503       0.17851036      -0.54010556      -0.24699495      -1.45140365 
Hf       7.60667926       5.10241599       2.75214831       7.33096056      -1.38054458      -1.73874290 
Hf       2.94159218       4.87550993       2.12079102      -1.72568955       1.64522203       0.04231995 
Hf      10.26624628       7.33315904       2.58890772       9.70983355      -2.67863955      -7.05863292 
Hf      10.33574206       5.03059180      10.33885837      -1.00859425       3.13825282       0.08224797 
Hf       7.86470531       2.39168307       5.23865347      -0.08574615       0.22866300       0.68871723 
Hf      10.22790043       7.74190026       7.66010806       0.29948051      -2.47391057       0.66136680 
Hf       4.88406542       0.37915693      10.05236174       3.61150987      -3.83707164      -0.53766832 
Hf       2.28990210       7.87940153      10.30895529      -2.79335327      -1.08311912       0.69546094 
O       0.62829436       8.71995933       0.95848361       1.60634206      -0.93710005       0.14904238 
O       1.58668314       5.91795161       0.86839223      -0.69295204       0.44619422      -2.20573436 
O       2.19389993       1.42322046       6.53949590       4.11656911       2.26252409      -1.06211963 
O       1.22308359       1.16517033       3.77985599       0.25269499      -0.93396114      -1.44679181 
O       3.92641670       3.70027237       0.72484778       0.06785351      -2.02215104      -0.05516988 
O       1.02718039       0.89771633       8.88341060       0.41529496       2.24273291       1.46966501 
O       3.92939821       3.72538308       3.74544260       3.32023018       0.30959311      -2.79039926 
O       6.38852819       4.03814422       1.47997615      -0.51481249      -2.07152089       1.16462295 
O       3.74547285       0.59164173       4.10661986      -1.16477217       2.14204479      -1.68107628 
O       1.60518173       3.43182375       3.54519227      -0.51351333       0.70243280      -0.83086959 
O       1.56083403       0.59458503       1.12293817      -3.34724665       2.99694858      -3.06059098 
O       1.86283226       5.82657363       3.22712843      -2.81452556       3.92895352       3.74320405 
O       3.82210542       0.96923867       1.25859101       1.49426242       2.82978556       1.44481496 
O       9.56779866       3.44607547       6.14227681      -1.34066992      -1.59467968      -0.61931277 
O       0.86197404       8.91797104       6.18405401      -1.00696955      -1.10552632       0.30001824 
O       6.22018794       1.09146547       3.65377125      -0.16381048       1.64649653      -1.74162048 
O       6.43655800       9.42736246       9.68044302       0.92466683      -0.42118310       0.11806805 
O       0.23827173       0.75043952       6.25588804      -2.66935525       3.25911008       5.14902785 
O       3.51211960       3.19654264       8.40994399      -1.66833047       1.27588605       2.06149840 
O       0.55382096       8.78048860       9.08899942      -1.24601644       2.89202528      -0.19055853 
O       0.88273061       3.53946035       0.64449237       3.28470599      -4.12390703       1.18603618 
O       3.34689525       9.25461291       5.96228800       0.37553464       0.15480724      -1.45941777 
O       8.40454479       8.29537741       8.54043239      -0.07884879       1.03054551       0.36223911 
O       1.22311948       6.63376182       8.71110419      -0.13688831      -3.40896571      -0.60887756 
O       0.99020676       9.15062933       3.41458655      -2.06550781      -2.11395606       2.39784888 
O       4.15327127       6.28435360       4.35413502       2.76972689      -0.33434748      -1.18834628 
O       3.56874666       8.93068674       0.95193166       0.30758440       0.57521112      -0.32549666 
O       3.27517876       8.32783917       3.43010259       2.74812705       1.73509571      -2.12770785 
O       1.14106898       3.58300540       8.49689593       1.14915444       1.52670728       3.50576224 
O       9.06463034       3.78431763       1.04168540      -2.17012623      -0.03978889       0.68902565 
O       6.85511818       0.81469769       6.15032459       1.13683856       1.18572799       0.28059829 
O       6.41111383       3.96486606       9.46173764      -0.16840569       0.11534248      -1.63121942 
O       4.72386557       2.68024907       5.81607090       1.82165448       0.46678889       1.37028795 
O       1.51599087       3.85131198       6.14662908       5.43898082      -0.83296932       1.59445624 
O       8.93841854       3.40055849       8.94838990      -0.94251270       0.65563216       1.24371842 
O       9.09294445       5.98726004       6.47376251      -5.00395280       2.06224143       0.65370919 
O       7.25497967       3.59901722       6.92252083      -0.52273114      -0.70797612      -1.53963364 
O       6.31147476       1.52419239       8.61217589       0.01644273       0.59897930       2.04247758 
O       6.26277700       1.43154894       1.00691364       1.12877719      -0.21798517      -0.52653234 
O       8.96146187       1.10316930       1.08331973      -0.18377511       0.43724418      -0.23532128 
O       6.27219417       8.93858056       1.62002835      -0.48801990       0.06733102       1.00806475 
O       8.63849932       9.54315338       6.31716911       1.77318314      -3.65047099      -1.58790298 
O       0.44437518       6.51853650       5.37392115       2.56736491       1.93780977      -0.70819648 
O       6.23333275       7.62019050       6.60179145       1.22402934      -0.07190364       0.61992126 
O       9.15087246       6.04598840       9.01299744      -1.34031497      -1.01423343      -0.35036489 
O       5.34196899       5.27485784       6.91057324       1.44958193      -1.83319260       0.62798323 
O       4.98413663       9.94154112       7.84142953       1.57313696      -2.32525437      -1.33430728 
O       6.21214540       6.68164982       9.55520071       0.81734458       0.68959417      -1.45586408 
O       3.78912590       6.02364076       9.27787027       1.96063111       0.98980980       2.27782555 
O       6.74560887       6.47547792       1.88139720      -2.39555407       3.21213601      -2.59243060 
O       9.24877497       6.53500276       1.06970593      -0.48952341      -0.91496970      -0.94053710 
O       9.30834533       2.03141731       3.90334595      -0.06890814       0.98238938      -0.43436473 
O       8.44055993      10.20767670       4.10270550      -3.89313703      -0.60038972      -3.49034201 
O       8.72358984       9.07696957       1.26380904       0.24062344       0.98428548      -0.23564099 
O       6.96456261       3.69336582       3.94865591      -1.45022153      -0.35917968       1.56473589 
O       7.02678365       6.36873765       4.33017370      -2.86791023      -3.26107407      -0.91166394 
O       6.03149041       9.00795011       4.37412724       2.21424004      -4.40998842      -1.93269667 
O       9.19124938       0.72131072       8.77144633      -2.15050245       0.46686464      -0.19211922 
O       8.95545605       7.66675368       3.54688235      -8.53567134       2.63109129       7.13130473 
O       9.74008121       5.08335662       3.31247925      -2.21249176      -0.87453144      -1.68402769 
O       4.25279552       6.25318923       1.33429942      -2.17030427       2.09012134       4.16169416 
O       2.82438100       8.63716739       8.60514113       3.11560503      -0.24193050       0.09603893 
O       3.43838156       0.74084589       8.94744166      -2.27171048       2.27586180       0.84890379 
O       3.31215710       6.65220839       6.73031513      -1.38854157      -0.61944367       1.31936728 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01683328727299327 -0.002743123762351183 0.013155767433103217 -0.002743123762351183 -0.02019682359604183 0.0018386466833657095 0.013155767433103217 0.0018386466833657095 -0.042314757143409196" pbc="T T T" energy=-920.84727426 free_energy=-920.84791723 config_type=crystal 
Hf      10.10278727      10.26079413      10.42490843       1.33894071       0.44078662       1.37098221 
Hf       5.37489346       2.72117505       2.65230892       0.16897658      -5.26063947       1.61304433 
Hf      10.02146280       2.56986876       7.70105581      -1.76100004       2.35161389       0.02275966 
Hf       0.30941583      10.18947503       5.14996666      -5.64643879       5.40962594      -2.06754323 
Hf       7.30063595       5.53072136       7.90083474       1.69453629      -2.00883899      -2.39694434 
Hf       8.08887750       7.52528980       5.08049830      -1.02247693      -2.76113911       0.20751963 
Hf       7.51628185       2.54278401      10.22382280       0.76876298       2.14092651       5.44701501 
Hf       7.76461924       9.92172839       2.62441022       1.20665888       3.61465339      -2.02126667 
Hf       2.58999589       2.21981854       4.91114462       1.06577889       2.58604101       0.04665622 
Hf       5.46906833       2.54670612       7.95412738      -1.91880391       6.60387395      -5.45420354 
Hf       5.39319874      10.24213101       5.60484163      -2.49387295       2.84752199      -0.04302571 
Hf       2.60546525       2.53810499      10.05027876      -0.56921633      -0.32234247       1.77013115 
Hf       2.62164830       0.08912409       2.15000124      -0.13281895       2.26499133      -0.37700948 
Hf       0.15142027       2.60317775       2.62088594      -7.79942275      -0.91902342      -3.76301047 
Hf       2.20559183      10.40399885       7.85354604       1.93605926      -2.19918056       3.82001101 
Hf       7.79115650      10.34573529       7.97915175      -2.24864786      -0.87759629      -1.08161896 
Hf       2.29866053       4.73871837       7.71435500      -0.31994530       1.13460605       0.10828094 
Hf       4.85022013       5.13743527       4.97334001      -1.26184169      -1.02938403       1.45648590 
Hf       0.67589464       5.29144613       5.05615759       0.88623359      -1.40836530      -2.58028058 
Hf       2.65396844       8.14755950       5.12821381      -0.43752795      -4.12903112       0.47155829 
Hf       4.86393661       5.34810009      10.42263727       2.13705782      -2.37873454      -1.59496614 
Hf       5.32632987       7.89741878       2.91736607      -1.48327152      -3.01110207      -0.45962456 
Hf       4.57575754       7.45616745       7.40850982       1.74750787       1.17553612       0.01856362 
Hf       7.54411546       7.71773182      10.44446861       1.36886320      -2.32203181      -2.89720638 
Hf       7.56862206       5.36945491       2.42697090       1.28492963      -3.77018768      -1.28730578 
Hf       2.39103939       4.76299346       2.09988070      -1.21647063       1.26437732       1.58971170 
Hf       0.29144254       7.83058435       2.44875494      -0.35441047      -2.44538646      -2.24537967 
Hf      10.16006428       5.31341186       9.89816678       2.88678211      -6.30123619      -4.30677409 
Hf       7.56916861       2.24247346       5.05935375       5.41254665       0.13536776       2.58471859 
Hf       9.82376455       7.57389839       7.32826285       0.92057691      -1.59272028       3.29692304 
Hf       4.93189040      10.22395049      10.31849858       3.76447070       1.29308669      -0.39049649 
Hf       2.71955939       7.80582153       0.00104913      -0.74040717       0.41665703       0.08844202 
O       1.27594648       9.02559434       1.03348816      -0.67889766      -0.18367032       5.35183538 
O       1.99293361       6.57018845       1.59313472      -2.03334721       4.01239602      -1.26735325 
O       1.68161974       1.01488596       6.21895261      -0.85575498       0.35363887      -0.96095217 
O       1.16368424       0.85062690       3.41751144       0.50592780      -1.01843321       3.35733208 
O       3.59279977       3.94569586       0.80871103       1.95215631       0.05938846      -0.24324749 
O       1.45715743       1.42779283       8.90152801      -2.87524322      -1.99080593      -1.30188146 
O       4.12482843       4.00888418       3.47123507      -0.94929616      -1.95772438      -0.61725313 
O       6.25153651       3.70928544       1.46588823       1.21220581       3.47762530      -3.75193646 
O       3.78878659       1.16198191       3.78473397       0.81085758      -1.02641952      -1.05438675 
O       1.57848832       3.48047850       3.32444546       3.93150039      -0.60693406       4.35854637 
O       1.25613982       1.57794250       1.27529716       1.74879607      -2.16455104      -2.86715106 
O       2.69096290       5.94552398       3.95879912      -3.37160302      -0.04095298       0.44776347 
O       3.90640585       1.28885088       0.83405012      -1.75000767       0.34413560       2.66817628 
O       0.40200256       3.89890253       6.60168365      -2.91835475       0.11264473       0.30527846 
O       0.63479429       9.19522287       6.74692217       1.27967011      -0.91740491       1.27264066 
O       6.79010812       1.05313301       3.79037703      -1.49342689      -2.01088248      -0.33055994 
O       6.66899513       9.31435450       9.58142858       1.62508216       0.91147000      -1.02123367 
O       8.95098447       0.73984479       6.06664481       1.67369477      -1.21263642       3.78192930 
O       3.92860225       3.48985873       8.72585556      -3.45385227       0.59254721       1.86151888 
O       1.62687262       9.27235155       9.54560299      -0.14987131       0.48088301      -4.95096377 
O       0.90338911       4.05506409       0.70668484       1.96704530       0.33893936       1.87028952 
O       3.48436376       9.36459393       6.55260136       0.35343957      -0.02285307      -2.34001527 
O       9.24371498       9.23500888       8.80387826       1.22622531       0.98704357       0.80177211 
O       0.51635186       6.20722471       8.31483606       0.76696260       0.57339088      -0.45246695 
O       1.03109266       8.76805340       4.03929959       1.79486244      -0.67818845      -1.35516850 
O       4.22063958       6.95973675       5.15656424       0.68441023       3.86447378       2.85286047 
O       3.71175337       9.21794866       1.02544625       1.06019705      -0.52626715       1.13175795 
O       3.59533489       8.76720407       3.52807072       0.09816297       1.76586496      -0.91816323 
O       1.07667882       3.65330330       8.88181032       0.33230285       0.53236483      -0.46599822 
O       8.91077416       3.43244147       1.51449493      -1.35615410       0.31857863       0.12520190 
O       6.54734346       1.06977846       6.57237578       0.13314170       0.34458749       0.03339347 
O       6.45209769       4.18669623       9.10880817      -2.90948886      -3.16501843       1.37862323 
O       4.40459299       2.51804547       6.36275737      -2.80738278      -2.97074196      -4.17261925 
O       2.26432574       4.07734998       5.76771548       4.10006854      -0.10731547      -0.54307516 
O       8.68396062       4.19101542       9.22976060       1.76259584      -1.27458123      -0.23418541 
O       8.82186578       5.88252363       6.60494293       0.11787731       1.38656752      -0.75924603 
O       8.12571643       3.29737066       7.04415879      -0.55113514      -1.44923337      -0.96887829 
O       6.12357026       1.34840880       9.07647033       4.78992259      -4.20332438       4.74980700 
O       6.48105651       1.18137327       1.29416499      -0.78082981      -0.74042757      -0.77460492 
O       8.92522275       0.75512848       1.19143746      -0.16357738      -0.30508964       1.37289428 
O       6.64366620       8.61265241       1.43613659      -2.01769631       2.11981681       3.78894017 
O       7.85580957       8.53183556       6.62787678       4.82626379       1.62042714       2.11303188 
O      10.29883709       7.02701704       5.25998139      -0.55344129       2.15504345       0.17126584 
O       6.44491243       6.39874205       5.83531604       1.48645498       0.55589489       1.31306450 
O       8.68789654       6.90334099       8.99066330      -0.10118293      -0.93233997      -1.51521474 
O       5.05283310       4.72900940       6.89876862       0.28542807       1.69735028       1.87122693 
O       5.94152359       9.10884156       6.93740638      -2.41599338      -1.07020280       2.04556424 
O       6.26694831       6.78118066       8.98597904      -4.14241278       1.21192936      -0.41921214 
O       2.97158559       5.94515850       9.61428910       1.93519508       0.34348648      -1.49226500 
O       7.02481945       5.77274774       0.57573896      -0.32400757       1.94603746       1.51426101 
O       9.59910348       6.25092602       0.75276846      -2.75762396       6.76906702       8.28309865 
O       9.49023868       2.09089672       4.28611090      -0.25813729       1.26428761      -1.02352384 
O       9.08612373       9.40465206       4.00115740      -0.08526848      -0.31824845       1.55384223 
O       9.46460591       9.04369731       1.56835233      -1.62807166      -1.80127407      -1.54778333 
O       6.81092800       3.68425165       3.97072818      -0.99042409       1.43416328      -0.19606859 
O       5.72815398       5.98738135       3.50170427       2.45516164       1.96836676      -4.52520119 
O       6.12954636       8.99110968       4.38536470       2.62785112      -1.17438439      -2.62010719 
O       8.79750110       1.33561198       9.37111344       1.77316937      -1.23593666      -3.39989784 
O       7.87615659       7.26502136       3.12569285       0.45276147      -0.96047312      -1.41624844 
O      10.34571562       5.11655865       3.21214146      -0.83152434       1.21882703       1.58045776 
O       4.66161251       6.81469552       1.12819733      -0.97749938       0.84535542       0.43677644 
O       4.22736799       8.89002681       8.83825700      -1.40513301      -4.24901018       0.95158586 
O       3.89674544       0.67295070       9.04240662      -3.63071453       2.83275747      -3.87039402 
O       2.36069736       6.68751811       6.92117184       2.28488094       0.92459162      -0.96674458 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04365891037972635 -0.022772150776848986 -0.0002948399719901842 -0.022772150776848986 -0.018338249334414455 0.02315099292953058 -0.0002948399719901842 0.02315099292953058 -0.024993917961432285" pbc="T T T" energy=-919.86965135 free_energy=-919.87033808 config_type=crystal 
Hf      10.12194502      10.26391012      10.45739772       1.35365014       2.85824876      -1.20553169 
Hf       5.41428468       2.69568347       2.73320982      -1.41993712      -3.45806106      -4.21069562 
Hf      10.08802176       2.65764983       7.66942172      -2.40818296      -4.12764656       2.44328916 
Hf       0.28797561      10.35676416       5.14745017      -4.35310911      -2.49560543       0.33948243 
Hf       7.39464483       5.42038574       7.74239615      -2.21662484      -1.57706774      -0.42431961 
Hf       8.04411147       7.52102398       5.23004984       0.79677222       2.09714028      -1.70366002 
Hf       7.44198690       2.60236558      10.28472342       3.14755096      -2.78699219       4.73196906 
Hf       7.80673910       9.86723434       2.69530910      -1.73395965       4.47112082       1.72175132 
Hf       2.58442756       2.13093140       4.89153148       2.06972178       2.99519799       0.46803020 
Hf       5.35071800       2.33500639       7.83936727      -1.14683862       1.50336410      -0.59061024 
Hf       5.32944022      10.27348418       5.51137794      -1.91117074       1.34480361       1.95457804 
Hf       2.67477358       2.56848712      10.20242497      -2.65015601      -4.12991148      -0.28741018 
Hf       2.57549330       0.15573528       2.24276495       0.85447646      -0.89921925       0.27984081 
Hf       0.14624421       2.54921989       2.60868455      -2.43477926      -1.23616884      -0.64527404 
Hf       2.21584044      10.45600634       7.87459451      -2.42255933      -1.85878025      -0.44811570 
Hf       7.77658473      10.34707570       7.95029675       1.36082045      -0.30736786       1.20249315 
Hf       2.22781848       4.63585027       7.75780606       1.94580202       3.65476647      -4.11625504 
Hf       4.88794451       5.19200488       4.93840677      -2.65928570       0.39208550       1.90437495 
Hf       0.66838263       5.39267491       5.05805647       2.49752520      -0.30969095       0.58522647 
Hf       2.64972356       8.29043893       5.05674757       1.54891237      -3.57046248       2.34339732 
Hf       4.86056901       5.25385992      10.32584721       3.31359729       1.21515006      -2.66831109 
Hf       5.28017069       7.86026744       2.84931546      -2.78416307       2.34424360      -0.46108069 
Hf       4.64966084       7.45998092       7.32390891       0.32503754      -0.13607204       4.63205161 
Hf       7.57719294       7.65027758      10.42095702       1.90616276       2.06582971      -1.53907848 
Hf       7.56311799       5.35916391       2.44231582       2.60700667      -1.79015916      -1.06786815 
Hf       2.37721176       4.81046773       2.10535264       1.11130523       0.70537573       3.80161684 
Hf       0.27859465       7.99788237       2.42776477      -1.05092712      -4.69318650      -0.97781444 
Hf      10.16315830       5.29821190       9.77767999       0.61736076       2.43469214       0.96298891 
Hf       7.54335959       2.26287324       5.10427929       2.62174654      -0.81387648      -0.97655491 
Hf       9.85709102       7.51169933       7.40914585       2.52999785       3.88023659       0.11041733 
Hf       4.88911609      10.12454995      10.30608294       4.16914974       3.65340207      -1.20958457 
Hf       2.85650679       7.76898155       0.10825138      -0.14940235       3.03993820      -3.47749733 
O       1.23444705       9.18244689       1.30268710       0.43410340       0.59366833      -1.74009098 
O       1.99863968       6.89382858       1.46423478      -2.90736393      -3.87254906       2.49138149 
O       1.52082426       1.04160543       6.06789144       2.66128285       0.71930361       4.39844715 
O       1.16318448       1.06499509       3.81788901      -0.38987610      -0.86144194      -3.71265279 
O       3.80749073       3.93870622       0.63318720      -1.09040416      -0.72868347       3.30783632 
O       1.09062786       1.32751481       9.02736502       0.04320782       2.20878259      -1.53793957 
O       3.97441082       4.00609410       3.34240975       2.15809207       0.38098811      -0.76631890 
O       6.45444410       3.94576640       1.37076575      -3.19431164      -1.30824934       0.84243486 
O       3.68832938       1.12922668       3.53036700       2.29106771       1.20931178       1.50879116 
O       1.84098344       3.46773067       3.63342652      -4.52491169       0.32653361      -3.05287762 
O       1.42044535       1.17896479       1.10509968      -3.83115190       0.74886930      -0.71327579 
O       2.45229848       6.10320973       3.91669056      -0.66047566       0.45546200       0.80531392 
O       3.73650185       1.42158323       1.04095046       1.36327215       0.17392205      -1.15564113 
O       0.27005727       3.77868671       6.32534510       0.66909841       1.27225178      -1.03911910 
O       1.29731490       8.99956574       6.54452177      -2.54414470       0.19918052      -0.76945988 
O       6.48121999       1.02327368       3.55646133       0.53844401       0.89987244       3.03553097 
O       6.97032614       9.25850696       9.53239841      -1.48249303       0.18636698       0.79131888 
O       9.67647330       0.79987483       6.47908761      -2.27544821       1.81794907       2.49309094 
O       3.58250605       3.41388291       8.43445845       1.08622901      -2.71762286       2.10784716 
O       1.25637877       9.43911694       9.23600840       1.05366140      -2.24457501       1.66939518 
O       1.28503690       3.45871132       1.12416282      -0.42851804       3.06084174      -1.14068233 
O       3.54909156       9.40098470       6.51956574       0.59396925       2.11132970      -2.40591325 
O       9.35906684       9.23964708       8.50649783       1.32729132      -0.07216136       2.92815976 
O       0.66054177       6.25264425       8.07166950      -0.37905464      -1.14066502       2.72465834 
O       1.21878920       8.76189174       3.88745522      -1.79983164       2.35262396       0.26336025 
O       4.38020549       7.26932077       5.53644156       0.56060770      -2.38172846      -7.38398756 
O       3.83199786       9.36110879       1.21019341      -1.23899454      -1.86032621      -2.39705815 
O       3.58099494       8.97965296       3.36161198       0.14593198      -1.05042163       2.33927448 
O       0.80403316       3.90442303       8.93826950       1.40437270      -1.49380674       0.95459428 
O       8.65538769       3.29887758       1.64581717       2.12825378       1.72182049       0.31724219 
O       6.67607353       1.03939476       6.60771344      -1.63529244      -0.30162934      -2.19355159 
O       6.30251381       3.88742602       9.33515785      -1.62917480       0.87423539      -2.44191759 
O       4.27415787       2.22490658       6.04592958       2.71928294      -2.43758818       1.28506093 
O       2.62529786       3.99522139       5.71754869      -0.08457807       1.84281020       2.04838089 
O       8.98329070       4.00810759       9.15230664      -2.93922506      -0.08008101      -0.64727351 
O       8.99040855       5.63419629       6.66073751      -0.31849880       1.35463444      -0.52129736 
O       7.85388075       3.02936854       6.94617255      -0.08357575       2.18912325      -0.00817342 
O       6.65652602       1.14287126       9.20056576      -4.46663156       1.86841314      -3.68517532 
O       6.40476105       0.92351750       0.97341416      -1.37726631       2.00796523       0.48642028 
O       8.87571742       0.79640874       1.48325919       1.34709799       0.51028135      -0.71471827 
O       6.26105563       9.05145507       1.69046472       1.58331236      -1.48382516      -1.67918432 
O       8.09971651       9.01058759       6.53710343       0.17556491      -3.75880476       0.49121731 
O      10.18280419       7.30305250       5.41938078       0.06773484      -1.58257469      -1.18208041 
O       6.66975268       6.30145861       5.96955102      -0.76791582      -0.90254241       0.35306336 
O       8.62167606       6.88673270       8.83949045      -0.81487269      -2.91453741       2.03172481 
O       4.92528403       4.84415570       6.95316837       2.28802519      -0.46258341      -0.39944794 
O       5.74156935       9.08965010       6.98917650       2.06993161       1.38330189       0.44765650 
O       6.05117566       6.85620206       8.75616160       0.87245982      -2.41823386       1.02433347 
O       2.87498727       5.56664168       9.55908325       1.26993712       2.80980064       1.03177760 
O       6.97549885       6.08578236       0.75462652      -2.04355063      -1.09762370      -0.22673060 
O       9.50557449       6.69356558       1.16325313       0.00544809      -1.07989568      -2.46851653 
O       9.32472776       1.99666523       4.16983037      -1.69420133       1.10196505       0.27619373 
O       8.86412568       9.33759219       4.54891404       0.38311024       2.11982332      -4.07313924 
O       9.32934984       9.17688536       1.92651647       1.83064254      -2.77258365      -3.57781108 
O       6.39914583       3.70689014       4.03062844       2.47611584       1.01425434       3.09127604 
O       5.85557568       6.09452614       3.25312543      -1.46366826      -2.96378269       1.25592568 
O       5.82298654       8.83498108       4.46990093       3.63637784      -0.98799203      -2.04632631 
O       8.97023976       1.31810098       9.19974375       0.51031686      -0.01018196       0.48141705 
O       7.81316682       7.32822507       3.18484760       0.66849142      -0.07370225       0.46850473 
O      10.39775325       5.24602199       3.34778886      -1.34542626      -0.52087187      -1.27569869 
O       4.50771918       6.91236390       0.88953908       0.23243583      -0.44362592       0.56421295 
O       4.09807766       8.69712543       8.86506105      -1.43391239      -0.05250521       3.49160854 
O       3.65189152       0.83803565       8.88687617       3.77693775       1.69978136       1.24152195 
O       2.76646010       6.40555408       6.88870401      -0.86264382       0.47250581       0.53089442 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.042974085257604586 -0.01741161318161709 0.0017406674294170304 -0.01741161318161709 -0.017561922221752596 0.022739646801117525 0.0017406674294170304 0.022739646801117525 -0.024621286915485617" pbc="T T T" energy=-920.18253272 free_energy=-920.18322094 config_type=crystal 
Hf      10.13470216      10.27737384       0.00012978       1.56442576       2.97914231      -1.83892511 
Hf       5.42009426       2.66827386       2.74264259      -0.24736246      -2.81435846      -2.67381668 
Hf      10.09855777       2.67299327       7.67004289      -1.74898720      -3.04084671       2.04158851 
Hf       0.25582805      10.40732312       5.14086431      -3.42843910      -1.41459622       3.04988508 
Hf       7.41882343       5.37340014       7.68509402      -2.58773033      -3.06976572       0.32179838 
Hf       8.03187628       7.52136644       5.27275612       0.42659569       2.63586940      -2.26834602 
Hf       7.42996490       2.61564059      10.33262847       1.50788772      -3.01076393       2.65222249 
Hf       7.81877743       9.86877455       2.72262902      -3.22192337       4.68746418       3.26296943 
Hf       2.58453128       2.11944736       4.89107913       3.45598556       3.23799412       0.60988643 
Hf       5.30439366       2.27379597       7.79565132      -0.54145492       1.07486873      -0.23057291 
Hf       5.29975169      10.28754835       5.48649225      -1.97157649       3.32960808       0.90635439 
Hf       2.68619712       2.56112802      10.25513139      -2.27894975      -3.41460271      -0.28617311 
Hf       2.56122807       0.18039061       2.27568418       1.08490486      -1.46397903      -0.79338985 
Hf       0.13130832       2.52723344       2.59767358      -3.52040940      -0.95178093      -0.82998300 
Hf       2.21057981      10.46519954       7.88486154      -1.72683322      -1.36829800       0.51525469 
Hf       7.77311026      10.34492573       7.94481120       2.57461813       0.78941431       0.83308463 
Hf       2.21349549       4.61527896       7.75464181       2.58554929       3.69347296      -2.68121508 
Hf       4.88833563       5.21299851       4.93363261      -2.19964647      -0.30578532       2.58221574 
Hf       0.67759592       5.42431318       5.05781187       1.18978203       0.34036574      -0.08390840 
Hf       2.65493584       8.32138769       5.04097814       1.27976647      -4.99707752       1.07001742 
Hf       4.87420961       5.22303507      10.28100258       2.52804000       1.04149924      -2.16285949 
Hf       5.24822732       7.84771176       2.81236297      -0.92390965       2.23740105       1.10982219 
Hf       4.67868707       7.46041767       7.30795738      -0.76063967       0.17375345       2.86461716 
Hf       7.59880292       7.63280813      10.40817099       1.10723415       1.34681807      -0.75752372 
Hf       7.57156359       5.34615265       2.44003325       3.92640776      -2.19504666      -0.03450794 
Hf       2.37690364       4.83087703       2.12173224       1.34149810       1.05388732       3.65610712 
Hf       0.27709118       8.02728172       2.41761642      -1.80843258      -3.99704059      -1.19256975 
Hf      10.16925318       5.29959261       9.73963284      -0.86864535       2.30099017       1.34419949 
Hf       7.55231248       2.26605978       5.11749004      -0.54595032      -0.33012334      -1.38302967 
Hf       9.88091429       7.50371477       7.44045078       1.73003084       4.21019552       0.27598766 
Hf       4.89784574      10.10801136      10.29550674       3.84678104       3.61669521      -0.53871021 
Hf       2.90025404       7.76692756       0.13556754      -3.26231021       2.41441244      -3.44114531 
O       1.26210294       9.24939687       1.39401673      -0.48936559      -0.41172541      -2.55052043 
O       1.86313327       6.91662375       1.47145405      -2.17692522      -4.23549807       1.92509273 
O       1.63037628       1.13553613       6.25357208      -0.06096081      -0.67578947       0.49626845 
O       1.16691505       1.08698332       3.82182650      -0.69850190      -1.51850846      -2.18733525 
O       3.87803878       3.93864154       0.73642601      -2.03899941      -0.66205614       1.94891780 
O       0.91329537       1.38888421       8.98399235       2.90555683       1.05247147      -1.19099322 
O       4.05622364       3.97373470       3.24272401      -0.65422626       1.39008228       0.87669163 
O       6.38382447       4.01844882       1.33496538      -1.77309092      -2.89367048       0.85016651 
O       3.84155685       1.08497381       3.40737775       0.43478564       2.49052674       3.25479646 
O       1.71639945       3.39787957       3.66025516      -2.28746894       1.86038228      -2.05413366 
O       1.33179726       1.02681816       1.01388853      -2.71174418       2.09928982      -0.57924695 
O       2.29528141       6.20443893       3.96889178       0.50428595      -0.20093451       0.07747087 
O       3.72092260       1.46784331       1.09814259       0.77045932      -0.41971620      -1.56606352 
O       0.22741347       3.82223374       6.15152580       0.74246412      -0.71009470       1.31413882 
O       1.44298567       8.88833212       6.48266025      -4.25478368       1.99461964       0.70809055 
O       6.38402270       1.03273554       3.64482537       1.32825755       1.02547996       1.75982172 
O       6.99050152       9.34255578       9.49819477      -1.08227466      -2.88207971       2.39385926 
O       9.79208650       0.90849452       6.82615162      -1.21700468      -1.08423916      -2.89671495 
O       3.44532630       3.27060806       8.47297396       1.14933523      -0.19888970       0.59155464 
O       1.18456787       9.39202145       9.13278069       2.34381882      -1.21500587       2.11654898 
O       1.40482214       3.40546023       1.22498435      -1.25462092       2.20660577      -1.33690894 
O       3.61436150       9.48599243       6.32324882      -0.44080359       2.28854326      -0.03925625 
O       9.50122316       9.26719464       8.54910447      -1.22120633      -1.18718762       2.56167545 
O       0.66537537       6.22326155       8.12722890       0.14036272      -0.83380607       2.06281351 
O       1.23487449       8.85715279       3.81207807      -2.04579919       3.01578990       2.47879062 
O       4.45429708       7.32731022       5.43780851       0.72798271      -2.78201917      -5.55926907 
O       3.80505870       9.27997303       1.17572016      -0.73998750       0.00293781      -0.92954178 
O       3.50623718       9.05239786       3.42709083       2.58258625      -1.15225374       0.26044159 
O       0.73684989       3.91294314       9.03291744       3.79249657      -1.63802116      -0.28585678 
O       8.65371393       3.34404248       1.71474851       1.54610173       1.49110465      -0.41482126 
O       6.64747746       1.01418577       6.48808509      -0.64818270      -0.88724162      -0.28261476 
O       6.14338016       3.80098317       9.31470438      -0.12338432      -0.16064520      -1.76226979 
O       4.30892585       1.95528198       5.90957959       2.06803205      -0.80194070       1.95438159 
O       2.77856992       4.08031882       5.81032987      -0.43321790      -0.30804582      -0.07344072 
O       8.99258772       3.93188016       9.08559006      -3.50939354       0.88296279       0.16286512 
O       9.03933479       5.63618392       6.64859975      -0.14540404       1.37107979      -0.42545290 
O       7.74168748       3.00600212       6.87983495       0.41894864       3.27948196       1.94091409 
O       6.66339551       1.09375652       9.09232286      -4.10313440       4.14932432      -2.21936898 
O       6.29223580       0.91418929       0.87271373      -0.42192998       2.83095979       0.54661485 
O       8.94253301       0.77623839       1.56968289       0.89306219       2.61390205      -0.82190495 
O       6.22330781       9.17315248       1.70664505       0.40644132      -2.97591708      -0.83338867 
O       8.26770886       9.08067900       6.59329583      -0.15612891      -5.42747293      -0.67673318 
O      10.14065178       7.33580731       5.42771229       0.21343000      -0.92884351      -0.95811651 
O       6.74113739       6.22494608       6.06100175      -1.16803822       0.86254217      -1.58661443 
O       8.58655295       6.71420598       8.84009602      -0.25540009      -0.97015320       2.14470257 
O       5.00084246       4.89950296       6.97813141       1.73356769      -1.41270189      -0.46723914 
O       5.70442062       9.14454093       7.02350877       2.42761751       0.46805666       1.80467349 
O       5.93848996       6.77894853       8.68930173       2.25425574      -2.06764266       2.30530254 
O       2.93082382       5.59891337       9.58064142       0.59238683       1.45937571       0.32409135 
O       6.84414887       6.09621371       0.86795747      -0.73302077       2.51257890      -3.21429634 
O       9.47327956       6.84459965       1.24603827      -1.02734215      -2.18734658      -3.77387832 
O       9.15594249       2.05699607       4.11328170       1.78454994      -0.08642721      -0.15677258 
O       8.77015857       9.39403567       4.56966412       1.76497218       2.56340850      -3.94684643 
O       9.21082756       9.19938392       1.84023793       4.17105137      -5.14162390      -4.19312439 
O       6.39186502       3.78781637       4.24021462       1.18651527      -0.78226064       0.27113091 
O       5.88836743       5.95420245       3.17906262      -3.54376267       0.96483294       1.80370024 
O       5.96250696       8.87375836       4.57312979       3.51220814      -3.51246647      -5.14236998 
O       9.10384217       1.27345207       9.10464105      -2.43070646       0.28548634       2.43852013 
O       7.83023028       7.32004479       3.17248733       0.12514287       0.20514798       1.58955180 
O      10.34513118       5.28356509       3.37096803      -1.31402639      -0.65587451      -1.34791599 
O       4.42734996       6.92391963       0.79439222       2.91206535      -1.49215348       2.91788422 
O       3.97443950       8.55597051       9.07455690       0.30799253       1.09339217      -0.47718991 
O       3.69328806       1.02142126       8.83463612       2.63173654      -1.42411703       1.03497773 
O       2.91984059       6.36683573       6.87132237      -1.68274109       0.58011902       1.10230957 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016232272629851625 -0.01479002710585552 0.0009677563508733481 -0.01479002710585552 -0.02483109963877461 0.015666242107232227 0.0009677563508733481 0.015666242107232227 -0.01833398780674556" pbc="T T T" energy=-921.4450723 free_energy=-921.44515212 config_type=crystal 
Hf      10.18234472      10.34898484       0.00163974      -1.85018892      -0.35987182      -1.43550139 
Hf       5.42964885       2.55651159       2.73542102      -2.15247625       1.09202729      -1.21081477 
Hf      10.10741259       2.70200464       7.70525768      -0.56798650      -1.92925740       1.93318014 
Hf       0.11567935       0.06314583       5.16000416      -1.97933228       0.51919262       3.34343535 
Hf       7.45080531       5.17920263       7.53142906      -2.57279534      -0.70308434       1.22542285 
Hf       7.99778064       7.55160235       5.35219227       1.56816573      -0.10600937      -5.29725062 
Hf       7.40428912       2.61933558       0.02961348      -0.62492290      -0.33863336      -1.25575099 
Hf       7.82452327       9.92396753       2.81704576      -1.70712703       0.09106836      -3.92565619 
Hf       2.63001770       2.13347615       4.90129006       1.22581850       4.05468123      -0.22240405 
Hf       5.16424821       2.12656961       7.66052367      -4.01592120       6.86100316      -2.68643137 
Hf       5.22834918      10.34109374       5.39429884       4.42971290      -4.84969588      -2.83929255 
Hf       2.68301246       2.50534966      10.40262966      -2.96296752       0.91428777      -1.27987708 
Hf       2.53731323       0.23248444       2.35116683       1.59182932      -1.38374122      -2.28130005 
Hf       0.02699966       2.45372858       2.54122612      -2.31340138       1.14955211      -2.87552838 
Hf       2.17670020       0.00522368       7.93559383      -0.36999175      -0.64581838       0.95668863 
Hf       7.79482344      10.34591594       7.94348618       0.56297704      -0.68989731       1.93758443 
Hf       2.21415842       4.60049210       7.72538052       2.66840910       1.73545928       0.57565038 
Hf       4.86643542       5.26193878       4.95554611       0.47792858      -3.18658955       1.78562881 
Hf       0.69387515       5.52161849       5.04302041      -5.87171109      -1.37778943      -2.70482054 
Hf       2.67859656       8.33775380       5.00215440      -2.54213254      -2.30973921      -0.53678434 
Hf       4.94201677       5.14098394      10.13362561       1.03763704      -0.22662327       1.45846688 
Hf       5.15158609       7.83092524       2.72383504       1.58297657      -1.49155149       0.33611303 
Hf       4.76401078       7.45480559       7.29205838       2.82882049      -1.19040490       3.39859955 
Hf       7.68191763       7.59564087      10.37131866       1.65303372       0.37923277       0.47079842 
Hf       7.63846417       5.29273086       2.42725506       0.41815322       2.65385495      -0.74952641 
Hf       2.39445431       4.90308606       2.21427836       0.64046698      -2.14218802       1.79029182 
Hf       0.24711944       8.05651685       2.37680065      -2.89028817      -3.45945235      -0.01954894 
Hf      10.16539325       5.31859085       9.66453450      -2.82172427      -2.59794602       6.50144990 
Hf       7.55992549       2.27805122       5.14874347       1.79100081       2.08171161       1.12464059 
Hf       9.97410115       7.53617800       7.53420941       3.23167316       1.89386143       0.15255234 
Hf       4.97732135      10.10824466      10.26032629       2.89894326       1.47106268      -0.26688637 
Hf       2.94522929       7.75866743       0.19678884      -2.67131764      -1.77573268      -2.09908272 
O       1.30343208       9.24576562       1.33219257       0.36366360      -1.43002584       0.09507785 
O       1.32475403       6.46931008       1.59770395       1.08981764       1.97344857      -1.88543872 
O       1.88786668       1.43758867       6.53751747      -1.16648767      -0.11893482      -3.00367406 
O       1.15492759       1.02164869       3.65383132       1.29797890       3.32885724       0.62128966 
O       3.77335826       3.94760992       1.06882111      -0.45766584       0.50045574      -3.39077553 
O       1.01591636       1.57121483       8.76649446       1.40896338      -2.69213298       0.39184572 
O       4.10071577       4.05510156       3.28289297      -0.79844735      -1.46567937       2.91876051 
O       6.14290845       3.82223196       1.32364011       2.72730432       0.22762550      -0.08583490 
O       4.09437754       1.23874196       3.47485836      -3.84331905      -0.54071653       0.66676466 
O       1.30600279       3.48390231       3.67597487       3.07973098       1.40733959       1.77787805 
O       0.98084548       1.06048280       0.81564436       4.13180645       2.87188523       2.33724123 
O       2.03751963       6.52092425       4.09409506       1.90797247       0.58922209      -0.92920406 
O       3.71746373       1.39468489       1.10090849      -0.68976818      -2.03585116       0.68437501 
O       0.23639284       3.73305481       5.99108575       0.66826632      -0.53344148       3.62972988 
O       1.23961589       8.93068014       6.49705703      -0.76326484       1.33493059       0.37179586 
O       6.38929714       1.17351388       3.99799190       0.99109234      -0.94565936      -3.29996283 
O       6.88270635       9.26758294       9.66816366      -0.95961933       1.90209682      -1.15501177 
O       9.86955878       0.76911708       7.06260338      -2.04775178       0.24116204      -2.54782899 
O       3.16867282       3.12521883       8.52438216       2.02884755       1.01136572      -0.57975017 
O       1.42337630       9.15471250       9.14650261       0.84850384       0.43779369       1.60379228 
O       1.46150237       3.48131747       1.27808190      -1.89659720       0.26184208      -0.69003552 
O       3.44804260       9.84215021       5.95877785      -0.83083511      -1.51704844       2.54270295 
O       9.53606588       9.09904760       8.95521700      -2.07849957      -1.27971073      -0.49990665 
O       0.75315947       6.13698259       8.42570253       1.72656882       1.84408995      -2.48084634 
O       1.03948226       9.43400525       3.95435517       2.59322062      -6.51827383      -2.38524121 
O       4.65770862       7.20022721       4.65218456      -2.73634361       2.62392624       3.37465605 
O       3.72800078       9.28051822       1.12078684       0.48219011       0.90301911      -0.09940890 
O       3.68774600       9.16892341       3.48487001      -0.26284332       0.15546813      -0.07681415 
O       0.99089795       3.77423240       9.23934733      -2.09559601       1.54283808      -1.29580250 
O       8.78285344       3.68455642       1.77830168      -0.92205901      -0.18836820      -1.86449533 
O       6.70457100       0.85489722       6.29124287       2.50164832      -0.04942060       1.70769026 
O       5.76660921       3.51724898       9.12235457       1.09177791       1.37214017       2.36579044 
O       4.42162684       1.42899330       5.81627823      -2.20922141       6.42187082       2.06093077 
O       3.12121603       4.14471212       5.92753520      -1.46954420      -1.41764930      -1.37140152 
O       8.65199590       3.86574110       8.97705598       2.20198011      -0.16253460       0.96095826 
O       9.15844862       5.84391727       6.60264707      -0.77567833      -0.38699035       1.14736698 
O       7.50682261       3.35741881       6.95249508       1.55884360      -3.20960082      -1.68257574 
O       6.35089968       1.33508155       8.60889881       7.55082768      -5.17344254       4.71847771 
O       6.01946046       1.31366206       0.67172616       1.94506435      -0.03570590       1.18048069 
O       9.19090368       0.98482567       1.75712217      -1.69335149      -1.87306610      -0.59395727 
O       6.18654267       9.13092231       1.65744051       1.33338838       0.73553108       0.11677351 
O       8.69465247       8.68232789       6.73753200      -3.12248852       3.75481534       0.93989271 
O      10.12297301       7.34881983       5.31984648       1.83073106       0.02362410      -1.00539681 
O       6.75177744       6.29925433       5.95757717      -1.87207307       0.59398812       0.30903495 
O       8.51365943       6.23941121       9.08016501      -0.14657340       2.26674500      -2.11519103 
O       5.39099351       4.83035916       6.97013544      -1.24463305      -0.61053655      -0.87104090 
O       5.84147331       9.29016816       7.32374501      -0.69133328      -0.99252956      -2.13590333 
O       5.88521208       6.38090565       8.77681078       0.25199564       1.77330420      -0.97042028 
O       3.12908808       5.82212214       9.62401806      -0.41691229      -0.03063289      -0.56645156 
O       6.52776381       6.39342040       0.82227983       2.77342055      -2.51918904       0.88212160 
O       9.23060899       6.79170390       0.89328441       2.07216359      -3.97852974       0.11743749 
O       9.10381485       2.17768978       3.90257470      -0.14799441      -0.25814699       3.06474521 
O       8.91174501       9.89334427       4.30018982       2.50809741      -0.01808379       2.26637336 
O       9.14675840       8.89146026       1.15234599      -0.57459216       2.96619415       2.31080796 
O       6.50995222       3.86221316       4.73674203      -0.64889350      -0.64158136      -3.40305652 
O       5.61494675       5.78746049       3.17225833       2.99675949       1.06043361      -1.29904146 
O       6.70636564       8.73627215       4.28541521      -3.28087402       3.80857151       0.57407219 
O       8.93796985       1.18094834       9.32509617      -1.84687101       0.30764389       1.04221064 
O       7.92961480       7.24751518       3.31706009       1.90595607      -2.23053166      -1.76680102 
O      10.03686025       5.33404032       3.35985722       0.33322040       0.62656274       1.88665181 
O       4.52539931       6.77590569       1.04051475      -4.66321309       1.26336546       1.12103185 
O       3.96291632       8.48350474       9.11026915       1.17909927       0.44224814      -0.85759860 
O       4.03969908       0.99403143       8.88453906      -2.69792859      -3.25045788       0.78314925 
O       3.13352784       6.45059725       6.95202693      -0.93854796       1.45949598      -0.97312785 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03812853282648525 -0.0007458634363315757 0.009366489596201203 -0.0007458634363315757 -0.05047801843445799 0.019928981134462453 0.009366489596201203 0.019928981134462453 -0.029822446651444737" pbc="T T T" energy=-928.54071716 free_energy=-928.54123959 config_type=crystal 
Hf       0.03172755      10.37076971      10.29730494      -0.12028507      -1.05154048      -0.30507822 
Hf       5.24335164       2.58018582       2.56135869      -1.40470636       1.82726016       2.47816081 
Hf      10.14877093       2.50208504       7.89562142       1.17477464      -2.89848627      -0.09804063 
Hf       0.30661800      10.26716804       4.96551830       0.49917681      -0.65895195      -0.39194315 
Hf       7.71071967       5.24964675       7.62054959      -2.74944517      -1.45281705      -4.28612960 
Hf       7.65711829       7.93666086       4.94975181       2.49091283      -2.99042320       2.19181632 
Hf       7.54881802       1.91684748       0.05642213       0.92837286       4.27604979      -0.23461478 
Hf       7.81076660       0.22498719       2.94129567      -1.72540600       2.17050147      -2.68984556 
Hf       2.24898480       2.81904009       5.46253219      -3.38489002      -0.18894294      -2.67480142 
Hf       5.19060817       2.47069115       7.60859552       1.57656621       0.78052380      -1.84308546 
Hf       4.49808033      10.04655959       4.87954182       2.85695112       2.85145776       0.60990041 
Hf       2.61391189       2.49159278      10.07350001      -0.85000088      -4.83603118       0.32880299 
Hf       2.89351213       0.59704082       2.15694975      -3.98465809      -3.18808308       1.06845746 
Hf      10.30469785       2.73169233       2.16555652      -0.44082751      -2.61262530       3.77005051 
Hf       2.68939371      10.23494502       7.80381464       0.82862291      -0.17281673      -2.98695525 
Hf       7.69169882       0.02204245       7.68251850       0.14074295      -2.20145069       3.75799542 
Hf       2.63854221       5.13654983       7.84464014      -3.08286495      -0.78199781      -1.33127112 
Hf       4.81955448       5.20216903       5.08977638       3.77457605      -3.42215422       1.94801261 
Hf      10.04599180       5.08468468       5.08226008       1.36048080      -0.39707870      -1.76802510 
Hf       2.15300305       7.49294223       5.47726765      -1.79496263       1.49611491      -0.87541569 
Hf       5.11955230       4.90423535       9.95978726       4.22930139       2.72961478       3.13487173 
Hf       5.00964642       7.63796901       2.32318723       0.38244778      -0.86770617       1.68699499 
Hf       5.38530660       7.79304973       8.04422597      -1.62985976       3.93086996      -3.08226286 
Hf       8.17355963       7.53084745       0.01079013      -2.23932976       2.69623810      -0.67426668 
Hf       7.50148484       5.16355032       2.35727637       0.83852647      -0.07287839       0.32664141 
Hf       2.58898444       5.46017687       2.70825579       2.72210562      -3.84107842      -3.76396150 
Hf      10.46559526       7.24093497       2.37844552      -0.32944290       0.19721353       2.16306033 
Hf      10.13034351       4.81308020      10.17938415      -1.92234382      -0.46544035       0.74562383 
Hf       8.01058761       2.38463680       5.20401809      -1.85597822       2.73034594       0.57264056 
Hf       9.99496029       7.93449080       7.79131758      -0.58376322      -2.72414115      -2.33573644 
Hf       5.41218108      10.15401178       0.13318030       5.31711969      -2.36086118      -2.52231390 
Hf       2.55574965       8.02753134      10.34406081      -1.64729112       1.19572925       0.40472107 
O       1.91829893       9.99247980       0.53822256      -0.30700509      -2.96459721       0.62090004 
O       1.98882699       7.12681320       1.60981669      -0.95501571      -0.08575974      -0.05725800 
O       0.04967541       1.11596234       6.38190905      -0.88901660       2.18974967       1.28955666 
O       1.47307265       1.18670977       3.42639808      -1.78099616      -1.71015133      -0.60700555 
O       3.29247174       2.45293692       1.90143506      -0.53134563       4.47177853      -3.46308305 
O       1.31792944       0.63416286       8.77122173      -2.28615174       3.29008851       0.65863443 
O       3.39588450       3.77283233       4.21405593       0.86134420       2.36474439      -1.81223793 
O       5.73011786       3.80535490       0.91896847       0.33415195      -2.22479400       0.83523448 
O       4.18014491       0.97672243       3.55026419       2.74117684       4.47335582       0.18377227 
O       0.47361565       3.14262946       4.34228990       3.22579668       2.03880183       3.07474696 
O       0.67349756       1.61927907       0.55030756       3.02140419       2.67587698       1.27480477 
O       1.26731176       5.96258210       3.80947785      -3.37676177       1.33339018       3.91672335 
O       3.98795973       0.68544128       0.44196554      -3.56123511       4.44772614      -0.22653868 
O       1.08822084       4.15501170       6.77560563      -0.72319733      -0.68736638      -0.23561123 
O       1.53642361       9.19964537       6.32337253       0.94066725       0.39432597      -0.25970984 
O       6.65138125       1.85811326       3.93094972      -0.18226147      -1.43140961      -1.74220654 
O       6.54235139       8.49880433       9.38465555      -0.05007275      -0.52573060       0.37617279 
O       7.96593733       1.76710232       7.07144240       1.81570603       1.96442064      -0.70196631 
O       3.77263850       3.85474688       9.07500224      -2.50812363      -0.19438587       1.37678698 
O       0.87774807       8.66090159       8.96850824       4.36774428       1.29228577       2.21906875 
O       0.87633514       4.40990888       1.73047523       1.31399501       0.95608466      -2.57695973 
O       4.01732507       8.90629672       6.37031375      -0.69550627      -2.23061048       0.91486627 
O       8.93503722       9.26141416       8.77499668      -0.98706135       1.58830071       2.16679438 
O       0.54482034       6.22266414       9.41694608       2.21248181       0.66394310      -0.11866360 
O       0.75891212       8.41374291       3.91782186       0.50206282       0.23366437      -0.54372853 
O       3.80928318       6.54747648       4.01850084      -0.18416685       2.41966992      -3.20207412 
O       4.33013351       8.69886732       0.80057335      -0.69820140      -3.10453336      -0.12665090 
O       3.85768537       9.41658572       3.04204300       0.12218706      -5.08640977       0.55398376 
O       0.87215462       3.42824327       9.36684050       2.86349743      -0.55068698      -0.28206434 
O       8.60350422       3.49415301       0.82546511       0.80548201       0.91370108       0.58817773 
O       5.42508632       1.26176593       6.14392399       0.22535576      -2.26664091       0.23165888 
O       6.54448357       3.61746002       8.82477685      -0.15361615      -0.26168737       0.87300632 
O       2.73793573       1.02198131       5.66561017       0.88001101      -3.88962559       2.15074634 
O       3.51245766       3.44662893       6.84432073       0.80773379       2.01138051       0.56415229 
O       9.24705003       4.09316106       8.34187183      -1.20085265       1.20196100       1.25195785 
O       8.62902437       6.86332243       6.49942898      -0.85224918      -2.99753565       0.47793526 
O       8.52297236       4.20733495       5.91825733       0.76525031      -0.32977043       0.26693105 
O       6.40505641       0.83783668       9.14754933       0.15031575      -0.26596392      -0.87118045 
O       6.23408768       1.39622593       1.38473875       0.42792493      -2.90751504       0.64675926 
O       9.03904393       0.96446494       1.30839191      -1.64184633      -1.24592303       2.05236039 
O       7.21446982       9.43414225       1.27597966      -0.85958881      -1.11857105       0.54581186 
O       9.64219126       8.82654292       6.11190076      -0.78732454       2.59596484      -0.54479790 
O       0.69996690       6.75553501       6.60794788       2.72884090      -2.01603763      -1.69620914 
O       6.34323445       6.24236550       5.77125348      -0.09099228       2.92203541       0.45726460 
O       8.64260971       6.41549634       8.82933289       0.35284406       2.17822038       3.40906966 
O       6.10678970       3.88363925       6.16305861      -1.17558694      -1.07520948       0.74342760 
O       6.93450693       9.15976674       6.64792814      -2.04115163      -2.46165915      -0.08205269 
O       5.83755194       5.99680605       8.37974524       0.31837682      -1.05011064       0.38606098 
O       3.21745505       6.73606317       8.95991203       1.60595531      -0.19828698      -0.21940032 
O       6.81370762       6.00510167       0.57294836      -2.34834233       1.59966385      -1.08561134 
O       8.82249909       6.17288867       1.20464444       6.47051602      -0.34078000       0.58579101 
O       9.16476602       1.82605843       3.82062320       0.13219783      -2.24436659      -2.23967596 
O       8.83527047       9.97878948       4.29574388       0.46600175      -2.10784681       0.21033003 
O       9.96987762       8.46381499       0.92496121      -0.84039433       0.81197076      -0.32775297 
O       5.90795618       4.41655042       3.34567845      -0.88448873      -0.78405916       0.88148967 
O       6.78221179       6.78779927       3.27465000      -4.46337915       1.95685597      -2.04777908 
O       6.35477385       9.15077784       4.26493610      -3.32495779       2.69070549      -2.45247374 
O       9.03688528       1.40519264       9.47053260       3.08979089      -0.73169886      -4.34179243 
O       8.82424758       6.69997822       3.69661181       4.54110219      -0.35904586       0.74467935 
O       9.47996956       4.18355501       3.33836205      -5.24403790       3.98237570      -1.42831950 
O       4.16215216       5.94917522       1.06153967      -0.54444729       0.94707506       1.79542139 
O       4.18150489       9.43386584       8.87125494      -0.32167000      -2.38436339       0.60269418 
O       3.76000203       1.33629396       8.52356171      -1.31145898       2.23187195       0.62620022 
O       3.43178147       6.18744328       6.39081924       0.39298144      -0.80164008       0.40608989 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02413818405407105 0.0020410966665879338 -0.0022046017737022768 0.0020410966665879338 -0.03928484545516095 0.005381868570579008 -0.0022046017737022768 0.005381868570579008 -0.030311880088320413" pbc="T T T" energy=-926.82306963 free_energy=-926.83260766 config_type=crystal 
Hf       0.02503766      10.30363019      10.37883350       1.94200055       2.28115764      -2.10608468 
Hf       5.25478649       2.65272077       2.59337427      -2.28257532       1.05491771      -0.34173464 
Hf      10.27630859       2.48897958       7.78781862       1.35176231       0.11705723       2.95154200 
Hf       0.31787179      10.18508258       4.95533522      -0.46987326       1.49554055       0.50438719 
Hf       7.74925570       5.24721849       7.66589775      -2.71761173       2.41808174      -1.46125873 
Hf       7.49425678       8.03966847       5.07840234       0.84500126      -1.35214755       1.08287675 
Hf       7.48004850       1.91375618       0.04956949       5.21673125       4.48192205      -1.48279185 
Hf       7.79978934       0.15371875       2.99890070       1.25751154      -2.70661633      -2.28434526 
Hf       2.24951627       2.74973595       5.57068152       0.44681834      -1.25360099      -2.45375485 
Hf       5.18690847       2.52711548       7.43110405      -0.27053734      -2.46642506      -1.01258427 
Hf       4.45770550      10.03139637       4.84041299       1.27769489       1.40664764       0.81043904 
Hf       2.67030053       2.46696560      10.07427189      -2.55496302      -1.60478816       0.67742279 
Hf       2.70699231       0.58772810       2.07394253      -0.30210345       2.24889644       1.21166483 
Hf      10.30205314       2.65305998       2.28476570       0.90371514      -0.84112523       1.93950849 
Hf       2.77855945      10.18285307       7.80735326      -0.38722399       1.49588252      -0.33240662 
Hf       7.63724119       0.04685519       7.72804165       1.60250277      -1.28699158      -0.67156135 
Hf       2.53710244       5.15535497       7.86128883      -3.50591223       1.23073375       0.87753524 
Hf       4.87933522       5.12481387       5.08355590      -0.02068621       0.95689146      -0.21405943 
Hf       9.91608219       5.05310020       5.00686293       4.58713942       0.98491941      -1.48974074 
Hf       2.08787984       7.49411528       5.49231062      -0.96320147      -0.27689296      -1.90267554 
Hf       5.24237075       4.77954209       9.80012507      -2.28120788       4.44865433       6.27784083 
Hf       5.03282968       7.67431153       2.39584778      -6.75096810       4.18698087      -3.94064565 
Hf       5.35488722       7.88116948       8.00979542      -0.93393363      -1.18279402      -2.21562206 
Hf       8.16898664       7.65922220       0.14841532      -2.50137305       3.25887948       0.61988501 
Hf       7.45582186       5.17921456       2.32192186       0.02086376      -0.86355102      -1.33671491 
Hf       2.64214562       5.38350296       2.65343885       0.29351073      -1.82081409      -2.57223505 
Hf       0.11153735       7.26363553       2.37495159       6.04513803       4.51099954       6.27415291 
Hf      10.03378246       4.88319536      10.29635377       1.80162277       0.16252375      -3.56549129 
Hf       8.03940315       2.40309960       5.25135316      -2.41029920      -0.24891332      -1.38099307 
Hf       9.95996875       7.84632803       7.75323882       0.67769789      -0.65644577      -1.05149002 
Hf       5.54139197      10.24548982       0.05231342      -2.78159206      -5.15304713       0.51231691 
Hf       2.61689120       8.09485506      10.19667358       5.46255903      -5.35104412       3.39724776 
O       2.09353169       9.75424334       0.64194846      -0.27686724       1.77973836       1.66980842 
O       1.97551503       7.23216325       1.53784995      -1.96471707      -1.13976721       0.08593047 
O       0.19823726       1.28668825       6.36449863       0.74819916      -0.41236553      -1.50392968 
O       1.05576442       0.79446559       3.22380929       0.52423036      -0.49016141       0.00897361 
O       2.83297322       2.78360594       1.83486071       3.91484665      -1.60093410      -1.46104963 
O       1.10842950       0.96876319       8.73962657       1.87875365      -0.53190992      -0.06608158 
O       3.62304950       3.79708608       3.93174567      -2.11739894       2.13247075       2.23353133 
O       5.83041200       3.87850955       1.07003121       1.55542396      -0.59890559      -1.44105033 
O       4.20783942       1.50063141       3.59359520      -2.21130808      -5.38655814       1.20096288 
O       0.67532852       3.16388485       4.71186492      -2.03427209       1.16769326      -4.50840642 
O       1.09364537       1.63734949       0.73782377      -2.41050817      -1.09594482       0.44611482 
O       1.07667327       6.14107781       3.93389051       2.10021398      -1.61581021      -2.19248948 
O       3.98760367       1.24038233       0.44533775       1.56030708      -3.37735039       0.97900462 
O       0.95848643       4.20052323       6.56175782       1.21349156      -0.81881602       2.84800480 
O       1.69016215       9.11826930       6.56200807      -2.64384642      -0.82859460      -0.56130171 
O       6.80542477       1.36133288       3.88919942      -2.13852586       5.68064684       0.95709738 
O       6.57320439       8.58708139       9.35637985       1.28872730       0.43458168       0.34486643 
O       8.14529273       2.04705214       7.16812476       0.24502810      -1.63566411      -1.18193053 
O       3.38784677       4.12011079       9.28953924       4.14859689       0.58922525       1.49134250 
O       1.26526038       8.79715226       9.22153898      -4.44438178       1.41459626      -4.70102477 
O       1.26157157       4.08008637       1.96785157      -4.38740313       2.24164673      -1.73680411 
O       4.07110846       8.73425427       6.51465448       0.00330306       0.59594909      -1.73333489 
O       8.96756021       9.28760268       8.96490232       0.76768682      -0.74830467      -0.01259075 
O       0.90783630       5.95125904       9.01759252      -1.36589853       1.86467386       0.76867325 
O       0.87514031       8.52099205       4.17587889       0.61427242      -0.05660311      -2.07646711 
O       3.78744472       6.70771892       3.50521714      -0.15304151      -1.29132397       3.86273747 
O       4.81539270       8.38887344       0.61436898      -1.56894901       2.49826441      -0.60119990 
O       3.79770463       9.14421752       3.19829122      -1.46354740       2.34239798       0.18202093 
O       1.23075332       3.68899723       9.21706416      -3.86027876      -1.65619087       0.28020259 
O       8.62392440       3.55262526       0.92565585       1.05922610      -0.25217971      -1.46163805 
O       5.84331044       1.18525361       6.17315828       0.55909150      -1.26425262       0.91893202 
O       6.19519288       3.38507427       8.88260659       2.72135163      -1.31056464       0.24702198 
O       2.99032103       0.54545501       5.65870959      -2.46938528       2.83211935       2.13454777 
O       3.46954687       3.46187064       6.99773534      -0.11834785       0.93167235      -1.49238235 
O       9.07254802       4.09109011       8.49205154       0.89235639       0.22206395       2.33501410 
O       8.14101875       7.12426395       6.81096411       2.62702679      -2.19096479       1.82636622 
O       8.39805449       4.28258829       5.95933162      -0.05532812      -0.25190406       0.04857765 
O       6.39635502       0.77512269       9.00627343       0.41986207       1.14920792       1.07825568 
O       6.17490844       1.38724237       1.24759710       0.61551703      -2.26901182       1.22494707 
O       8.88826336       1.01277943       1.53242479       0.71055088       0.44648787      -3.18465778 
O       7.17996643       9.32302083       1.25797298       0.03387184       0.51604177       0.48979449 
O       9.69050701       8.92990837       6.16616550      -0.96145497      -0.24608726       3.06947498 
O       0.43019201       6.53431283       6.11568649       0.25432318       1.78937342       3.06364693 
O       6.12890405       6.48052305       5.87003850      -0.17024761       1.21685917      -1.88904425 
O       8.65759867       6.56636033       9.12955166       2.56964270      -1.55083251      -1.66414420 
O       5.94868372       3.83104261       6.04204076       0.58226900      -0.87987551       1.16237135 
O       6.65234676       9.00149864       6.73356081       0.94162523       1.79295557      -0.04346452 
O       5.87687554       5.94627315       8.39252321       2.27729196      -0.36936910      -1.05936941 
O       3.59454082       6.78685145       8.79123090      -0.85131566      -0.03030256      -0.72260151 
O       7.06167346       5.97425474       0.39953871       0.19486188       0.20757418       1.16109549 
O       9.39217049       6.30770023       1.48690582      -4.83049946      -4.66453304      -5.29804886 
O       9.33004239       1.75097558       3.86687847      -1.61214412      -0.08808530       1.00981354 
O       8.76512025       9.87452708       4.51801143      -0.99092246      -0.48160038      -1.99533248 
O      10.04044168       8.60281523       0.90430250      -1.21942167       0.32569140       0.53412477 
O       5.85859905       4.31454913       3.40044127       3.25719622       1.51589603       1.40958052 
O       6.42352810       6.77610267       2.90563346       7.94338023      -3.13178797       3.31144620 
O       6.19392322       9.49586489       4.06403436       2.28252601      -2.91068299      -0.81042727 
O       9.21304524       1.23495770       9.03998966      -1.88973518      -0.27011121       3.15663310 
O       8.95691127       6.57991699       4.07396835      -1.89516631       2.73104903      -0.00333122 
O       9.22223310       4.41383308       3.15695560      -0.78554109      -2.19551014       0.47012234 
O       4.13340213       6.01362922       0.87896205      -0.26358678      -1.13945971       1.84582783 
O       4.20230165       9.27235552       8.90437754      -1.59605874       1.50080771       1.47082792 
O       3.76496478       1.36751893       8.51757012       0.05523047       1.05837098      -1.29555316 
O       3.38674594       6.12516814       6.19053301      -0.32243780      -1.64825770       0.08881530 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.022742609439529778 0.007929954734738318 0.008158646113231314 0.007929954734738318 -0.022785770036871083 0.0016852070645318957 0.008158646113231314 0.0016852070645318957 0.001057262512764785" pbc="T T T" energy=-929.45066234 free_energy=-929.45068337 config_type=crystal 
Hf      10.14136673      10.30372993      10.42987098      -2.24056262      -1.03218557       2.97594936 
Hf       4.86560053       2.60975126       2.36252162       0.50490735      -1.94160747      -0.21125318 
Hf      10.22721238       2.35581121       7.70751503      -0.48399748       2.29223781      -1.26971484 
Hf       0.07828958      10.25359893       4.85013661      -3.73393268       7.17948497       1.57992851 
Hf       7.73423094       4.82048681       7.39990975      -1.33929858       2.17767406       1.18953748 
Hf       7.98228093       7.80480882       5.48238081      -0.28005940       0.88710654      -0.54869754 
Hf       7.26535188       2.18136415      10.27415161      -0.31715689      -0.45247488       1.07021111 
Hf       7.10199533      10.06273207       2.27612847       2.37620266       8.26705894       2.13274100 
Hf       2.65443817       2.48741426       5.26995610      -5.52238492       4.48198346      -5.05433409 
Hf       4.94409671       2.37959879       7.80614630       0.99549199       1.21525755      -0.82212966 
Hf       4.87186706      10.27064397       5.03421289       3.75675995       0.11361394      -0.22475140 
Hf       2.22694152       2.47603174       0.09931723      -1.86247956       3.88381014       0.02702429 
Hf       2.19828600       0.00035951       2.46868468       0.74987051       0.79482526      -0.29468894 
Hf      10.17508568       2.63891125       2.56542492       1.18133607      -0.34053600      -2.14082862 
Hf       2.10412045       0.30414421       7.85129277       3.36166240      -4.51738707       4.43314148 
Hf       7.77079692      10.25990460       7.78490096      -3.10448531      -0.11829868      -3.49278726 
Hf       2.49329385       5.23448625       7.35698912       0.96083562      -3.05448448       1.66594269 
Hf       5.12704934       5.41194465       5.18994859      -2.68604130      -1.00649004      -1.13656709 
Hf       0.00589676       5.16690966       4.94429243       1.55728707      -1.10096028      -1.95794394 
Hf       2.47938501       7.96792507       5.31599848       3.21736206      -0.91360972      -3.32558954 
Hf       5.25501287       5.23156733      10.35893621      -3.01220019       0.40671058      -0.48479184 
Hf       5.52393173       7.69061902       2.63981155      -6.70167522      -2.64381001       0.27734548 
Hf       5.46779051       7.42930878       7.99981098       2.39268091       2.34717217      -4.95097521 
Hf       7.79835369       7.84140986      10.21415674       1.44668660      -1.20446689       1.84256499 
Hf       7.72979767       5.20381672       2.44655767       0.45951417       0.05320232      -1.88005887 
Hf       2.55429558       5.16437924       2.45295053       1.18175755      -1.69374125       0.27095529 
Hf      10.34168027       7.74785741       2.65105267      -0.63402547      -3.59265318      -0.56699053 
Hf       0.11404997       5.37859504      10.17291395      -1.70794080      -1.81731292      -0.29880585 
Hf       7.70468539       2.25153343       4.78143271      -1.13467749      -0.63301764       0.42951117 
Hf       0.19061002       8.01524653       7.65984703      -2.02482160      -4.16504371       4.65694884 
Hf       4.70922158      10.06724007      10.38035173       0.98323004       1.90767377       1.15510941 
Hf       2.51266773       7.63522048      10.36916671       1.18619239       0.48260223       1.20574644 
O      10.42174345       9.59092718       2.11543201       3.16029839       1.12930756      -3.33552350 
O       1.11926767       6.50803534       1.00220082       1.70834046       2.03911980       0.46462065 
O       1.38733521       1.28283428       6.48078345      -0.94071892       2.53241130      -2.07225943 
O       0.90089250       1.48234350       3.85232239      -0.32122812      -2.08741577       1.42493699 
O       3.74374142       3.81308314       0.86308712       1.60186793      -1.38597525       0.78792995 
O       0.65234433       1.05544782       9.21736412       0.11069019       2.88673672      -1.72672760 
O       3.89581217       3.71448641       3.52976750       2.53829267       1.61105892      -0.13439038 
O       6.53268293       3.98871613       0.54304465       1.29467869      -1.98410042       1.18021165 
O       3.41968631       1.23781309       3.44713853       0.08752297      -0.33686505       0.15635209 
O       1.75152558       3.88291991       3.97932125      -3.00841837       1.15646591       0.70911130 
O       1.09463275       1.35129150       1.51121137      -2.27819204      -0.79651359      -2.44647361 
O       1.19927790       6.17426717       3.42456607      -6.10467947       2.10132037       2.05741436 
O       3.30010914       1.16533486       0.85709669       4.99465299      -4.00318266       1.01781814 
O       1.15374041       3.75358614       6.45114777      -0.77223400       1.40607595       1.31761206 
O       0.83276560       9.35614352       6.55149048       4.05631355       0.25914131      -0.79074839 
O       5.89935663       0.94029796       3.59924172       0.38923448       0.55001261       1.66172734 
O       6.47476674       9.04221917       8.90596055       0.10845259      -1.70757763       1.85233387 
O       9.45380468       0.93367086       6.61841084      -1.17378558       0.33783908      -0.72164668 
O       4.73621077       4.40454547       8.51292439      -2.95272644       1.28469840      -0.20571172 
O       3.64461866       9.71532006       8.95133163      -1.58806578       1.44963776      -1.05968806 
O       1.19865537       3.77357784       1.51963101      -0.43402235      -0.03644409      -1.29248729 
O       3.41654687       8.82298305       6.75447217       0.38253403       1.59974179      -1.55476403 
O       1.28043993       9.25178379       9.56724479      -1.29603563      -1.47419683      -0.45732012 
O       1.47679840       6.62961480       8.91392072       0.13678367      -0.54569161      -2.34397845 
O       1.37692145       9.16145180       4.01025002       5.06723996      -1.26014996      -0.96936861 
O       3.30646840       6.45639867       3.88098544       3.14889245       0.43321579       1.35174766 
O       3.36892283       8.94363657       1.24380666      -1.43397738       1.45297039      -0.31486244 
O       4.06518114       8.92365387       3.74697590       0.09632755       0.55161099       1.51864055 
O       2.11200632       4.06426786       9.33139305      -2.43079000       2.73854806      -1.93111511 
O       9.36426477       4.63657809       1.44095826      -0.69993730      -1.69707355      -0.29663059 
O       6.43950978       0.93614047       6.29541825       0.84665802       2.78279632      -0.49283366 
O       6.64557481       3.35347169       8.31850980       1.47601428      -1.76583894       1.83984315 
O       3.83832552       1.21820435       5.87653037       2.94525324      -2.48692817       4.20118217 
O       3.76466043       4.01124399       5.93649929      -0.95412110      -1.08099679       2.90505358 
O       9.66392485       4.13641608       8.75873032      -0.08083543      -1.08726498       0.60774486 
O       9.16696371       6.12187390       6.49775156       0.95913611       1.41796658      -1.28193969 
O       8.49958051       3.28345574       6.83942454       3.02096784      -3.84223920      -3.59336737 
O       8.44055951       0.91463368       9.13102059       1.92274365       4.16992020       3.23332323 
O       6.13834508       1.10306390       1.19866720      -1.47371273       0.61574722      -2.89639527 
O       8.48025456       1.72197489       1.53526804       2.01565290       1.19255234      -2.03646446 
O       5.98668472       8.93203290       1.15176836      -1.17423909       0.10732918      -1.31811580 
O       9.18604412       9.13034646       7.03266555      -3.44992955      -3.69408900      -3.60163836 
O       1.38088479       6.57395597       6.16891434      -1.90792370      -0.62644615       1.39705026 
O       6.61269211       6.70149520       6.32627701      -0.33817543      -2.78445175       1.27949439 
O       9.28575331       6.69467762       9.20378621       0.56209237       0.01085622       0.74162617 
O       6.52273857       4.19735553       5.51506194       2.42787189      -2.43969772       2.11681516 
O       6.44623954       9.09541499       6.47060297       0.37869782      -1.57413118      -1.61803153 
O       6.72394593       6.27083985       9.15996518      -0.45595923       0.22249326      -1.52951456 
O       4.23088809       7.57097235       9.30371467      -2.39051105      -2.63192218       2.95089198 
O       6.22017873       6.59001646       1.10910771       3.88338391      -1.29981388       1.10389729 
O       8.92501395       6.97361022       1.50810898      -1.20882053       1.81768995      -1.54674519 
O       8.77263759       0.48981879       3.80007051      -1.12502943       2.31984756       1.73558258 
O       9.67722226       8.67813461       4.27305494      -4.34191694      -4.29494025       1.72320019 
O       8.35052874       9.51759984       1.06471334       2.25261064      -1.11325284      -3.55116992 
O       6.96847090       3.41405958       3.11992471      -0.98814452      -0.52577837       0.27056244 
O       6.17839703       6.30621445       3.89047891       2.16113439       0.50090666      -3.28979453 
O       6.71197762       8.82939925       3.68210273       1.32138312      -1.59339151       2.93671025 
O       9.04469453       9.10135550       9.25569208       1.62109873      -0.15863740       0.16941348 
O       8.83843797       6.14265747       3.76874873       1.43831423       0.74376371       3.05683512 
O       9.38183888       3.51846798       4.19404842      -0.41746709      -0.01513442       1.03883685 
O       3.96141944       6.30986601       1.13098553      -2.60294865       0.14694883       0.08190440 
O       3.01512048       1.86373424       8.74374429       2.21469991      -0.20443573      -2.21688435 
O       5.78659002       0.98079147       8.88840591      -0.17253591       0.78185623       2.27205975 
O       4.01892776       6.38080099       6.44691775      -1.29174227       1.93456545       3.41614918 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0337867430951343 0.013598496256374784 0.012671786172901819 0.013598496256374784 -0.010878498215319858 0.012764576810382079 0.012671786172901819 0.012764576810382079 -0.012615412294499511" pbc="T T T" energy=-925.57869752 free_energy=-925.5788268 config_type=crystal 
Hf      10.18831883      10.30897591      10.42153214      -1.65705283      -0.55752052       4.02568202 
Hf       4.96123909       2.58748515       2.37729330       0.06784494      -3.09724669       0.16941127 
Hf      10.26812089       2.33044261       7.68688112      -1.66355824       0.25516406      -2.51331130 
Hf       0.06381347      10.33322609       4.87602120      -1.10189971       0.26868119       1.75500547 
Hf       7.68501029       4.77618862       7.30424418       0.07670882      -2.49683802       0.17410207 
Hf       7.99494964       7.84385382       5.45984143      -0.13941450      -1.51473746      -0.25787565 
Hf       7.32093065       2.16770523      10.25281407      -1.60697785      -0.37489546      -0.02571072 
Hf       7.13498071      10.12870179       2.26722812       2.79561281       5.30371688       1.31759980 
Hf       2.58869997       2.47172678       5.19771378      -1.51395113       0.84186571      -2.62455211 
Hf       4.82308065       2.48321271       7.77977870       2.04520993      -0.50368239      -0.65056442 
Hf       4.88828999      10.29784678       4.95818746      -0.11254538       1.18565559       1.79083110 
Hf       2.28927883       2.45617171       0.09306786       0.73132628       2.36158229       0.47304798 
Hf       2.13859057      10.46240590       2.47313396       0.44848418       1.24520319      -0.08013649 
Hf      10.15597649       2.63998047       2.57983185       3.78452705      -1.71180077      -4.33596953 
Hf       2.10004261       0.28099842       7.91369446       6.34135477      -3.09825634      -3.57385215 
Hf       7.79000020      10.25097704       7.70573054       0.80495690       0.50687662      -1.79475077 
Hf       2.46526254       5.28572887       7.37008160       2.84810671      -5.13544418       3.44400074 
Hf       5.07592635       5.35938580       5.15789627      -0.24412180      -0.25459263       1.09087270 
Hf       0.04836473       5.15366824       4.99661297      -1.94638368      -5.57286625       0.10716111 
Hf       2.45383816       7.90203124       5.37677769       4.17228830       3.22284371      -0.96365598 
Hf       5.20531831       5.28382391      10.40269382      -3.26430841      -0.09488185      -2.97630918 
Hf       5.46334834       7.66148939       2.53058472      -4.52599543       0.17254168       4.57034178 
Hf       5.53607776       7.44706416       8.04466116       0.30315511       0.92549494      -2.87105681 
Hf       7.88070761       7.80883705      10.21551871       1.41625875      -0.03224217       2.10861336 
Hf       7.66985188       5.19066144       2.36927818       3.17452010       0.08190677       1.58088254 
Hf       2.57927536       5.24179825       2.51114793      -3.82703645      -4.36984041       0.44512905 
Hf      10.28999503       7.72035716       2.69088420      -0.33999115      -0.33752418       2.44224330 
Hf       0.07678842       5.37874146      10.22759586      -0.62954350      -2.50544914      -0.43924996 
Hf       7.72720969       2.32353523       4.71068434      -1.61553218      -1.57465054       2.61979213 
Hf       0.25126363       7.94744136       7.68908708      -3.64448751       0.69216440       0.49778916 
Hf       4.70150789      10.07449713      10.43895460      -1.07612201       4.81975247       0.37082654 
Hf       2.57229200       7.54251245      10.40524935      -4.97129352       1.83118913       3.60770556 
O       0.09573663       9.69198986       2.06529095       3.10421100      -1.09731091       0.12502039 
O       1.09385647       6.40180393       1.25513350       2.39557589       2.11343727      -1.96708930 
O       1.49059547       1.41393411       6.40218522       0.08983253      -1.04571688       1.84703607 
O       0.96302154       1.43240162       4.02334522       1.08424470      -0.53317850      -2.83979538 
O       4.00341967       3.58253452       0.89456296      -0.48277548       1.01429392      -1.09651352 
O       0.59684772       0.60822647       8.92455114      -1.41538296       5.13629998      -1.34958935 
O       3.74789180       3.65713592       3.43153248       1.47531054       1.83651874       1.52953899 
O       6.37536893       3.95772142       0.31613115       3.88881955      -1.85228014       3.24065140 
O       3.71501171       1.00825426       3.45674022      -3.18275406       0.68031819       2.12697329 
O       1.46010188       3.82190049       4.07665806       0.76898078       0.64055151      -0.41662994 
O       0.93533080       1.36053378       1.09027159      -1.41743797      -3.33811309      -0.47398787 
O       0.70448390       5.89830896       3.47244904       2.59402825       4.59237114      -2.22340460 
O       3.39855191       1.13175730       1.09948289       1.56679198      -1.50456211      -1.07454329 
O       0.80277282       3.53591043       6.32595601       1.17495533       3.55492385       1.84591873 
O       0.91951051       9.48836617       6.51172928       2.05231598      -3.31972639       2.20564315 
O       5.82447882       1.02103537       3.74726885       4.34259482       0.02757648      -1.15065419 
O       6.72549806       8.78037630       8.91453572      -3.78144982       1.66608105      -0.55186574 
O       9.64909487       0.75638108       6.47710458      -2.16054107       1.89964576       3.16658772 
O       4.65040886       4.44333740       8.37688441      -2.47780754       3.45926853       2.08700722 
O       3.62887938       9.84723762       8.96787116      -0.99588023      -0.24588992      -0.01026258 
O       1.22985752       3.53581770       1.42340079       0.22821959       2.32128250       1.39747816 
O       3.25656158       9.16094199       6.70875152       0.83656606      -1.00837969      -2.09514110 
O       1.33186937       9.12620990       9.81467874      -0.99480108      -2.84961139      -0.54698281 
O       1.23654961       6.47658106       8.64312936       1.65721898       0.07121113       4.89010657 
O       1.53742784       9.01960056       4.04145311      -1.72452440      -0.11010632      -0.88422630 
O       3.37387408       6.34039884       3.84365282       1.72907172       1.00213452       2.68320089 
O       3.15206286       9.08115019       1.50917172       0.53493803      -2.57451665      -3.81486274 
O       3.80750706       8.91747682       3.78375360       3.82865017      -0.62385739       1.99509864 
O       1.76072558       4.19857840       9.57634955       0.33931241       1.66452790      -1.76262435 
O       9.60847011       4.78820800       1.65265788      -3.76804641      -1.79016334      -0.54809834 
O       6.47315997       1.32352331       6.08397453       1.70410177      -0.48542040       1.46764934 
O       6.61366264       3.39868389       8.45507749       3.13667121      -0.11404388      -1.02107047 
O       4.04631592       1.27429324       6.37272401      -0.91719461      -0.58315957      -2.22440482 
O       3.64651974       4.01394155       6.17516842      -0.10020237      -0.20497728      -0.69681676 
O       9.76049668       3.91498813       8.95671984      -1.24251806       0.31390348       0.32750127 
O       9.52078449       6.17993431       6.26688582      -2.90144981       2.12208279       4.28117167 
O       8.63010197       3.11322080       6.61851707       0.12473949       1.06767040      -0.13390631 
O       8.65391080       1.15649124       9.18586180      -0.36167023       0.53907397      -1.13719223 
O       6.00807124       1.12273565       1.25601716       0.21737357      -0.60627513      -2.77974886 
O       8.38876564       1.68693856       1.41473614       2.15929749       1.56814832       0.24386582 
O       5.87963203       9.03941999       1.17861218       1.24525206      -1.10666797       0.36033968 
O       9.24021717       8.99937138       6.73366400      -4.51345652      -2.56247339       1.29367054 
O       1.46613314       6.63117217       6.57091323      -2.12314383       1.57849644      -5.14928042 
O       6.43876636       6.41030667       6.50967539       1.34015459      -1.19700874       0.41165560 
O       9.16506965       6.83464379       9.19145431       3.45084988      -1.85788011      -0.56650657 
O       6.79209941       4.23547469       5.35048157      -1.20079581       0.14190864       1.80037964 
O       6.45282111       8.94580213       6.35199665      -0.37220891       0.78309447       0.85052228 
O       6.85119127       6.31768248       9.22548443      -2.86433564      -1.30050879      -1.58880923 
O       4.17610517       7.55423795       9.56366723       4.02617334      -1.74012656      -2.22782373 
O       6.25351787       6.63315510       1.10653973       2.72668591      -2.03659396       0.57612044 
O       9.03211510       7.13173525       1.44143238      -2.74494929      -0.06604776      -1.81731923 
O       8.95570347       0.75221971       4.22235824      -3.68140714       2.14550213      -3.15342978 
O       9.32747503       8.68910214       4.43791622       2.96384614       0.84619090      -3.33618730 
O       8.61699777       9.70128960       1.10686847      -3.66322291      -1.63512666      -0.74659049 
O       6.97298392       3.25798070       2.99494531      -1.55594912       2.33241282      -1.25962422 
O       6.26687651       6.30198663       3.82565849      -0.76200614      -0.40055030      -2.01309248 
O       6.88567719       8.79864401       3.76952397      -1.94456338      -0.45133174      -1.72605700 
O       8.82000134       9.22077422       9.16221018       3.88593482       0.99142990       0.05529223 
O       8.80656085       6.45785169       4.02006355      -0.93313138      -2.38422976      -2.40320327 
O       9.31270461       3.46167786       3.95323707      -1.64266537       3.37191349       3.77582080 
O       3.76934677       6.19065996       1.18325038       0.28460054       1.03957377      -0.28780485 
O       3.08382512       1.98859914       8.63735264      -1.24780117       0.34755568       0.97433882 
O       5.59118523       0.99041368       8.93459628       2.01578838      -0.13968223       2.12748914 
O       4.01342002       6.59678568       6.58605657      -0.80802210      -0.56052128      -0.01969245 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03485890427742784 -0.0007665319753491188 -0.00028606304951020293 -0.0007665319753491188 -0.023190259168460337 -0.008231699769414087 -0.00028606304951020293 -0.008231699769414087 -0.009840173009220333" pbc="T T T" energy=-931.04743516 free_energy=-931.04762513 config_type=crystal 
Hf      10.44186954      10.16928898      10.42409845       2.29409484      -0.64655086       3.11483653 
Hf       5.22968613       2.64242548       2.80378320      -0.50154291       1.12655231      -1.44063153 
Hf      10.11912050       2.16103764       8.15806160       1.42219889       3.71879021      -2.30515426 
Hf      10.26960049       0.13237754       5.13304187       0.25542304      -0.36663445      -0.27129392 
Hf       7.71214946       4.65797572       7.94517846       1.07947362       6.05506304      -2.11122292 
Hf       7.64412575       7.61804147       4.89022499       4.03354363       5.22977995       1.43514297 
Hf       7.63621236       2.30832470      10.26353407      -0.12533641       1.84787588       2.17635770 
Hf       7.60333165      10.45708258       2.64089386       1.39617455      -1.66291568      -0.39355970 
Hf       2.08660537       2.65685450       5.43887889      -0.36617735       1.42543273       2.03422909 
Hf       5.02932141       2.56860811       7.60365819      -2.63777874       0.38594787      -0.75601306 
Hf       4.99246626       0.14216334       5.03843255       0.16136491      -1.05229213       0.36005014 
Hf       2.61379728       2.45334468      10.43533591      -1.25239841       1.24916694       0.21517481 
Hf       2.81663842      10.39388777       2.20036407      -2.96194687      -1.09003252       1.04246744 
Hf      10.19106223       2.71405218       2.42055314       2.47941525      -3.01091883      -1.96090630 
Hf       1.93308882      10.25085124       7.71832986       1.13851108      -3.27068805      -1.91038117 
Hf       7.34135021      10.21756370       7.68181454      -0.52925874       2.83870962      -2.42616631 
Hf       2.64375322       5.58939970       7.56717930      -1.04916841      -3.76135215      -1.29688566 
Hf       5.05876074       5.33650616       5.20510459      -0.04536161      -0.77658888      -0.53585658 
Hf      10.17331177       4.93343616       5.11190119       2.87159859       2.74786694       0.86060885 
Hf       2.71858195       7.96939118       4.62484297      -1.03677361      -3.02613442       0.83416733 
Hf       5.20086212       4.77936333      10.39383648      -2.41225326       3.91195766      -2.16747967 
Hf       5.29469882       7.78895002       2.41718114       0.50272662       1.74825998      -0.69581059 
Hf       4.77735989       8.06107216       7.51138964      -0.46910903      -0.36859507      -2.11021165 
Hf       7.83004346       7.46322439       0.10868510      -2.57087768       0.20293904      -1.83385786 
Hf       8.14385687       5.01322649       2.30210935      -3.10302540       0.67915494      -1.00896367 
Hf       2.66566955       4.87401473       2.54155099      -1.12138760       2.39081340       1.14606484 
Hf       0.04523596       7.84942309       2.39744973      -2.85335379      -2.95977688       1.67992394 
Hf       0.37804323       5.03253663      10.22562288      -3.35899074       3.32234660       0.48703609 
Hf       7.46916375       2.65847278       5.09855407       6.97700629      -3.01830072      -0.95109831 
Hf       9.54995777       7.85458921       7.71095223       1.33895855       0.28369185       0.26172566 
Hf       5.32069121      10.31993349       0.05264174      -0.10442388      -2.08012073       0.47904649 
Hf       2.60468028       7.64515196      10.22892141       0.09092252      -0.42506907       0.78028496 
O       1.80272801       9.22817037       0.82812269      -2.50338701       0.69635993      -2.13849855 
O       0.90569147       6.95626511       0.86987320       2.07455082      -2.47046607      -2.07157915 
O       0.49570006       1.29881272       6.66097321       4.71801091      -4.09387278      -0.65748283 
O       1.47381166       1.27434096       4.17951108      -0.81764493      -1.25602134       0.58287386 
O       3.53456343       3.43592169       1.47531021       3.45935222      -0.70474859       1.30422942 
O       1.60991392       1.04291643       9.18303446      -1.61413561       0.21416516      -0.51825966 
O       3.94168605       4.12734702       3.92666129      -0.71984432      -1.79605497      -0.49103208 
O       6.48819530       3.91151827       1.03495176       2.35392146      -2.67232124       1.81970716 
O       3.99144728       1.17104093       3.47119729       1.11536415       1.04256221       1.24687584 
O       1.11785840       3.81790251       3.97491718       0.57161446       0.10925172      -1.04750608 
O       0.81495841       1.35848461       1.29320315       1.00851024      -1.57523860      -1.08467234 
O       1.37521849       6.45310569       3.56738836       1.44280606       2.09687594      -1.49506433 
O       3.80693770       0.70832740       0.76708706      -4.19596843       3.29404093       0.30566463 
O       0.73271794       3.52023646       6.76552709       1.33981240       0.23816650      -0.63225927 
O       0.85017225       9.13657039       6.16536724       1.59577633      -0.34446003      -0.53051186 
O       6.57686871       1.15291441       4.00220172      -0.66521779       0.78300506      -0.49862479 
O       5.54842316       9.26431926       8.73082931       3.08749139       1.76646158       0.66357652 
O       8.77775358       1.62801019       6.53565658      -1.76444068       0.22990082       1.23400447 
O       3.49158440       4.56641258       9.43601895       0.54888154      -2.26350422      -1.10763900 
O       3.42148074       8.94317605       8.79261234      -4.09971512       0.76852337      -0.00512000 
O       1.19068902       3.84332376       1.27414347       0.28082462       2.01622628       2.75844041 
O       3.46941793       9.26040877       6.23391300       1.17247507       0.29924501      -0.63745835 
O       0.68007923       9.02592204       8.82563257      -1.21475015       1.07003644       0.06400862 
O       1.40506275       6.42546236       8.81249330      -0.77429588       0.68247509       2.01259696 
O       0.66646281       9.51044033       2.88891391       2.63405475       1.98309408       3.48127669 
O       4.10301080       6.62484629       3.33675131      -3.42131817      -1.24685833       2.13068727 
O       3.97374140       9.01267895       1.18877831       2.81889173      -3.57062731      -0.07483137 
O       3.92117742       9.21460041       3.56875598      -2.88776263      -0.47280276       1.61626016 
O       1.38991544       3.73151617       9.48787541      -1.10251174      -3.06674805      -4.05914858 
O       9.26237673       3.99863965       0.94508331      -0.68360899       1.20676737       2.58232408 
O       6.15693504       1.26347516       6.38614744      -0.13400557      -2.00856657       2.09541843 
O       6.49518735       3.41410081       8.69877082      -0.46015125      -1.35964556       1.19084203 
O       3.72523310       1.63534773       6.41030081      -1.88156472      -3.71437998      -1.30191716 
O       3.53725136       3.90136711       6.65203099       0.99933811       1.52640033       0.15602389 
O       9.12276987       3.80003692       9.08170511      -0.03876020      -2.60640580      -0.36859569 
O       8.73333481       6.70681653       6.48703459      -1.20514824       0.64987869      -0.07242162 
O       8.90266223       4.21622295       6.32124643      -3.43853951      -1.29372081       0.65434635 
O       9.19951224       1.02142828       9.54324370      -0.68433511       0.01450515      -1.22431270 
O       5.95820891       1.39974404       1.47112447       1.95823722      -1.73115939      -0.77755674 
O       8.53336257       1.71738086       1.42346160      -0.35604431      -1.03604155       0.82186237 
O       6.61270644       8.97609100       1.07127094      -0.19002453       1.60138617      -0.63057771 
O       8.88624401       9.55916771       6.32938840      -0.12519571      -1.01267000       1.37693825 
O       1.14034608       5.93520095       5.96820423       0.78439166       0.93479657       1.96562366 
O       6.13582461       5.81627122       6.68531278       1.11190648       0.93869886       2.06692587 
O       9.10656872       6.29448781       9.00796476       0.60325588       1.60584142       0.57250382 
O       6.17580246       3.43449693       5.95454992      -5.64951308       5.14235733       3.70139740 
O       6.51139174       9.23837366       6.22516022      -2.80332400      -2.35041444      -0.15291547 
O       6.74161444       5.70706459       9.43223500      -0.49073545       1.84649895       1.03690018 
O       4.12221533       6.50227422       8.42726901       0.81530060       2.03758250       1.39803487 
O       6.47785260       6.43779531       1.53653769       1.31933964      -0.84869608      -0.46442241 
O       9.02156800       6.71515285       1.28902504       0.59456694      -4.75069384       2.95208713 
O       9.28533298       0.79775072       3.49802393      -0.72968302       0.80372584       0.99511420 
O       8.47634764       8.67885102       3.20221113       0.31919811       0.52668018       1.47587201 
O       9.17498679       8.93414027       0.99379269       1.83114990       2.93764679      -2.97000347 
O       6.64597494       3.92673801       3.62248600      -0.54291846       0.20219000      -0.90633816 
O       6.33512984       6.58087810       4.26515223      -2.18928569      -2.85884129      -2.43598465 
O       6.21145138       9.02754922       3.80582964      -0.10187406       1.77787412      -0.35867244 
O       7.90171872       8.88921798       8.88845342       3.65233977      -3.01390477       0.90801920 
O       9.31401822       6.68390874       4.22167239       0.27476754      -2.81836055      -2.65260236 
O       9.02636110       3.56799488       3.76538375      -0.71942172       1.71812905      -0.36420709 
O       3.80111211       6.13846879       0.75544822      -0.63926714       1.24033247       1.29690919 
O       4.24742123       2.20375847       9.51944136       1.79271828      -0.43884940      -3.39537683 
O       6.43000092       1.01539357       9.41927774       2.81412422       0.03467371      -2.46801117 
O       3.63073043       6.61317732       6.01385120       0.29429621       1.70938797      -1.66028775 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.029545450242785123 0.009163872540262697 -0.009446752226631917 0.009163872540262697 -0.0530433353830649 -0.003268378680613438 -0.009446752226631917 -0.003268378680613438 -0.043278370555287035" pbc="T T T" energy=-922.47268366 free_energy=-922.472881 config_type=crystal 
Hf      10.27421839      10.46173512       0.37375156       4.41389849       0.61055245      -8.24257225 
Hf       5.19016754       2.60344056       2.57151206      -1.25469671       3.31732507      -4.07384537 
Hf      10.02801244       2.56071847       7.45274919       4.88078201       0.83045986       4.96304450 
Hf       0.10106571      10.41565160       5.15617950      -0.83284922      -2.54656309       3.66648004 
Hf       7.95337685       5.13102859       7.83027288      -0.02281365      -2.78303178      -4.96986489 
Hf       7.53429921       7.76435089       5.24270399       4.71855581       2.91789951      -1.82708959 
Hf       7.69123653       2.84811059       0.03154073       1.45688126      -3.76881754       1.47770506 
Hf       7.30742977       9.79400694       2.53581855       0.01584235       1.64574263       0.99035959 
Hf       2.61816891       2.23929101       5.03627484       0.15128244       2.11259484       2.71052680 
Hf       5.15520102       2.60745090       7.66663039      -0.93079339       1.07015554       1.55126312 
Hf       5.19180142       0.10206502       5.14488720       1.49185588       1.19482205       2.57322649 
Hf       2.42678440       2.91556295      10.21471710       2.23365066       0.29112235       1.68403494 
Hf       2.75912194      10.44528173       2.38899943      -0.36995650      -0.10531047      -4.77276327 
Hf       9.96384354       1.55103725       2.76518543      -3.75420338       3.33185342      -3.11707639 
Hf       2.73187298       0.20871068       8.12575976      -2.76473302       0.93351469      -0.20481874 
Hf       8.13879290      10.31678233       7.54639918      -2.11502148      -0.30568863       2.28648362 
Hf       2.09409394       5.17668216       7.84450900       1.48033289      -0.08765581      -0.68675879 
Hf       5.08302380       5.02878910       5.16641775      -0.88700030       1.87300933       0.30907323 
Hf      10.46540446       4.88737117       5.09994628      -1.02561385       1.13070695      -0.25038229 
Hf       2.52797141       8.12258296       5.22184130      -0.09782040      -0.44456380       0.51971462 
Hf       4.97472301       5.32717879      10.17519275      -5.30163328      -4.33158306      -0.15678214 
Hf       4.47619896       7.67675549       2.44001891       3.99075280      -2.11713778       3.59046961 
Hf       5.09482737       7.41204059       7.80832526       0.12706462      -0.18192511       2.56871843 
Hf       7.83430613       7.42497483      10.04654473      -0.19623145       1.26767570       1.85518354 
Hf       7.68336553       5.40064084       2.66017877      -3.47575620       4.72980637       1.37430724 
Hf       2.31684032       5.14615906       2.47809400       1.55112362      -1.26006306      -0.32832162 
Hf      10.29235903       7.84462329       2.16981627      -0.03611846      -0.92605319      -1.01001413 
Hf      10.38537257       5.12693150      10.38390427       4.84142701       0.32482258       2.67751645 
Hf       7.64567423       2.72562832       5.05277596      -0.13242823      -0.67547584      -0.19558877 
Hf      10.37230898       7.74897981       7.37717653       1.94427899       2.68996305       2.33179633 
Hf       5.50159414      10.13458212      10.16975692       1.57194246       2.15551924       0.22923464 
Hf       2.23294095       7.75778607      10.10820844      -3.40857943       3.51114334       1.20585470 
O       1.42565437       9.13663853       0.86380123      -3.69215633       3.74909562       2.00815585 
O       0.83342497       5.73376345       3.59708725      -1.18652762       3.00141693      -1.28582739 
O       3.86263589       0.97331735       6.66682696       1.16626554      -2.30134833      -3.23065355 
O       1.00283695       0.80536812       3.61336858       3.87781096       0.97641054       1.34736573 
O       1.32024163       3.93599966       1.09093096       0.52638856       2.09081676       1.99774467 
O       1.68101364       1.63378994       9.13690615      -2.18364441      -4.69679847      -3.41709437 
O       4.43982997       4.48263065       3.36322483      -3.07740761      -3.22945619      -1.34965767 
O       4.31104327       3.66489996       0.71298308       0.71843755      -0.37560439       1.42479035 
O       4.14311759       1.35208097       3.76228753      -3.74252799      -0.67654972       2.64616622 
O       1.93730744       3.65070183       3.81450204       0.18400363      -1.98480167       1.47370415 
O       1.43055946       1.21025433       1.16950418       2.31021397      -1.37610228       2.14961963 
O       3.74281255       6.21923489       1.23662988      -0.70053276      -0.81605127      -0.31688003 
O       4.60188201       0.87751143       1.48314615      -1.98519577      -1.80098415      -0.64233954 
O       8.45154442       0.41895581       4.11365409       2.46662927       0.57067723      -0.74159750 
O       1.34585818       9.26287419       6.42409505      -0.19872235      -0.39936477      -3.14446302 
O       6.51815291       1.76226861       3.48101301       2.76634889      -3.76054946       6.51928951 
O       6.57839918       8.86309884       8.90983367      -2.21992624      -0.91542036       1.65429262 
O       1.39890130       1.09434263       6.28139218      -0.59454487       1.28077697      -1.27016862 
O       3.37286932       6.78485450       9.02190124       5.92601516      -2.16049083      -2.42488442 
O       1.24091098       8.84319527       8.50081646       2.23959942       1.21995623       4.21895236 
O       9.84966264       1.92844654       0.77469860      -3.24485570       1.76572006       0.12673528 
O       4.21153211       8.09473680       6.45942999      -3.64932212       4.91925521      -5.26707793 
O       8.69278635       8.12963079       8.53348817       2.43489421       1.30122748      -2.56635419 
O       1.27850934       6.75973458       1.08491195      -1.56178570      -2.98678613       1.41369684 
O       0.71098833       8.95536740       3.58749634       0.78126003      -0.91735167       1.56553835 
O       3.36144714       6.64125363       4.48172261       0.37233094      -2.22758811      -3.15279524 
O       3.42946980       8.63969624       1.28704264       0.22846821       3.69800410      -3.15529963 
O       3.61354190       9.15719655       3.70100427      -2.17553904       0.92467586       2.53312141 
O       0.88452640       3.84913124       9.18478085       0.23897964       1.51545174      -1.37392129 
O       7.73033741       3.82283785       1.78029832       0.37591948      -1.98071688      -3.08176876 
O       6.48718374       1.64478656       6.70645073       2.42748534      -2.24593603      -3.63807409 
O       6.35161965       3.34169659       9.24018127      -2.06928976       3.46596708      -0.45248479 
O       4.04198207       3.30174888       6.15730063      -1.01075854      -0.29838646      -2.96115590 
O       1.24060704       3.54305999       6.70782474      -0.24380910       2.19797712      -1.82531023 
O       8.90582145       3.38570172       8.89162029      -0.53753569       0.10470684      -0.77070193 
O       9.11359060       3.92837555       6.27344980      -1.89532526      -1.10002956       1.12084477 
O       6.40501674       4.21186462       6.72885949       0.68231225      -0.81342643      -0.15930949 
O       6.84381082       0.78830581       9.27986471       0.08558107       0.34675579       0.03582880 
O       7.08104838       1.66363787       1.45322726      -0.81766404      -3.24897143      -1.79256061 
O       9.42863159       0.57089604       8.78709518       1.85247545       0.17917144       1.29935298 
O       6.31447752       8.54424931       1.16654015       0.39435377       2.27845698       0.25888352 
O       9.29776107       9.09511084       6.28268989      -0.64455892       0.62451930      -1.63725468 
O       0.84741577       6.51254324       8.99658465       0.03978936      -2.05120259       0.75620695 
O       9.00798151       5.70024397       9.32345162      -3.56205467       2.57735506      -0.45246108 
O       9.09689146       6.05643807       1.32000259       0.36048804       0.82003440       0.76640750 
O       9.30752258       6.44696611       6.42252690      -2.52165189      -2.30206736       0.37824470 
O       6.73038609       9.41727325       6.39010712      -1.82624672      -0.63201516      -2.36672704 
O       6.77623286       6.54724622       8.42893376      -1.15953607      -2.46484882       1.60432288 
O       3.86154342       5.61024847       6.76543782       0.81417244       0.91534666       1.28400830 
O       6.19887907       6.13812268       0.72147536       5.16297209       1.16567818       1.22644098 
O       8.49322794       5.76471472       4.34543845       2.29070878      -0.84267909       0.61487190 
O       9.01596868      10.19992491       1.66966148      -0.77907931       0.52734311       4.08114264 
O       8.51743072       7.98908375       3.40537839      -1.28655282       1.98673651      -1.64848799 
O       9.54889786       8.42990073       0.36032814      -1.20081077      -1.11774492       0.13297358 
O       6.61308836       4.04131119       4.03892584       0.76086464      -0.26810302       1.10668011 
O       5.64943717       6.40001746       3.33536945       4.10720077       0.08505020       0.93096317 
O       5.82337191       9.31222096       3.86902718       2.77065559      -1.33960757      -0.89833526 
O       9.23067085       1.34205110       6.33561558      -2.32066813      -2.88546903      -2.68005826 
O       1.28582375       6.55781342       6.44545720       1.06577674      -0.95803670      -1.73665198 
O       9.58970944       3.20442075       3.80623301      -0.59862501      -0.43426629       1.23500899 
O       4.05062140       9.54288094       9.04487371      -1.14598611      -2.61528235      -0.26008533 
O       4.06062635       1.56609927       8.95900660       0.45101721      -0.20670821       1.89001710 
O       3.48399671       4.20269152       8.99256051      -0.34341494      -0.00781428      -1.22039663 
O       6.45681062       6.54009676       5.91495723      -3.94006535      -2.20615300       2.32815000 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010232458935653445 0.007344587867050718 0.009068440190286417 0.007344587867050718 -0.02404534815940812 0.002074848095299332 0.009068440190286417 0.002074848095299332 -0.04810180641103012" pbc="T T T" energy=-929.22848826 free_energy=-929.22849472 config_type=crystal 
Hf      10.39399065       0.02380726       0.33781534      -4.35779731       2.74562494      -3.81109040 
Hf       5.30213715       2.69936475       2.48999501      -0.95905829      -3.44714324       0.24306396 
Hf      10.08183990       2.54910821       7.38011764       3.32609506      -1.94203833       2.10780579 
Hf       0.10591187      10.43962883       5.17832410      -2.22461044      -0.22561041      -2.27673429 
Hf       7.96143823       5.15268065       7.67574184       0.61495555      -1.20570017      -1.77092266 
Hf       7.49778567       7.83091655       5.21145381       1.70784529      -2.46182276      -0.92258713 
Hf       7.67191310       2.84820029      10.42849154      -1.21305586      -4.06787458       0.39814378 
Hf       7.19650574       9.80307423       2.70737778       1.89093656       3.34609903      -3.33748849 
Hf       2.57604978       2.31087134       5.13031114      -2.02687391       0.37848014       0.87100143 
Hf       5.21394152       2.57515136       7.61361312       0.26679471       0.11004049       1.05749076 
Hf       5.21341402       0.03614230       5.28210107       0.16931880      -0.13245784      -0.22119638 
Hf       2.32729165       2.87361536      10.26135930       0.91417164      -3.02751734      -0.52688145 
Hf       2.78515692      10.45025443       2.35792852       1.01410827       1.37761753       2.76262054 
Hf      10.04114993       1.57706627       2.63837893       0.59649113       2.81495986       2.61646390 
Hf       2.74417003       0.27302370       7.97759312       0.88303855      -1.87912838       0.65581106 
Hf       8.17594969      10.21853161       7.65237553      -0.94299757       0.74680848       1.97503471 
Hf       2.12604672       5.25986720       7.82915048       2.95771048      -2.92526100      -2.06175126 
Hf       5.03775874       4.96495753       5.26123430      -0.91332007       2.47360063      -2.08876698 
Hf      10.42300076       4.91040528       4.99816217      -0.93233081       0.69814559      -1.18322070 
Hf       2.48297711       8.09273890       5.23265833      -1.42001494      -2.00796010      -1.74289156 
Hf       5.14652119       5.32883820      10.23061149      -1.12045372      -3.31215324      -0.07696867 
Hf       4.36360767       7.55584085       2.50319750       3.21411159       0.14082062       0.47406897 
Hf       5.01644976       7.44833015       7.86576502       3.78386590       4.25284468      -5.68025114 
Hf       7.85949147       7.37499548      10.09167185       0.14827650       2.29672561      -0.35187835 
Hf       7.62929075       5.52077293       2.66490573       0.98250500      -0.54093636       0.68477614 
Hf       2.40798637       5.15653954       2.61415973      -3.08407586      -3.79365337      -1.03022726 
Hf      10.18651257       7.73474347       2.08331679       0.76014907       0.36241511       1.00795373 
Hf      10.44847518       5.07025524      10.41185708       0.81122755       1.83916700       2.02890612 
Hf       7.53720933       2.75091560       5.01099803       4.01223750      -1.51589054       2.10696159 
Hf      10.44315772       7.78282488       7.30709172      -1.48896430       1.20936340       1.09790007 
Hf       5.48592739      10.10508177      10.18092697      -0.58020173       3.58185425       1.25206467 
Hf       2.21387803       7.93575773      10.22193679       2.35940023      -0.42605416       1.65801102 
O       1.25696707       9.39379662       0.86260516       2.53754518      -4.59013419       2.54379562 
O       0.56962869       5.91797338       3.32821853      -0.92604022      -0.96552342       1.38295314 
O       4.00753456       1.22338250       6.57475663       0.08317579      -1.92184537       0.56425194 
O       1.29168722       0.85091096       3.57228037      -2.00448898      -1.42307882       2.20978451 
O       1.37597227       4.04884926       1.29266299      -0.33173353      -1.00511316      -3.67088078 
O       1.56618258       1.23067608       9.03412765      -1.38005843       2.18680005       1.79586288 
O       4.12415807       4.24630428       3.13009451       0.19302144      -0.77924518       1.30757835 
O       4.81683275       3.36370920       0.74508438      -0.44353771       2.88000263      -0.63272319 
O       3.83736493       1.37118429       4.00263502       2.29069880      -1.44011980      -0.59199719 
O       1.64849662       3.22325918       3.75241141      -0.74379139       3.60408632      -0.27060856 
O       1.87117392       1.15256882       1.25930082      -3.00831683       4.30488922      -3.55077014 
O       3.74278607       6.01927521       1.24919728       2.03278795       1.27059253      -1.48012713 
O       4.36398215       0.93397145       1.61205939       1.32364458      -0.56648544       0.03138107 
O       9.03385354       0.55352110       3.89210588      -0.28939690      -0.57734313       0.64891357 
O       1.15330229       9.18386767       6.24630833       1.07741154      -2.66718550       1.19381905 
O       6.64705306       1.38755039       3.97091877      -2.35520917      -1.83915890      -3.78583507 
O       6.33254626       8.69151115       9.34155123      -0.54516438      -1.94040677      -2.67147864 
O       1.29263703       1.10865694       6.35539356       0.76029408       1.05895692       0.21563288 
O       3.78674243       6.68053213       8.93261922      -3.35936866      -0.76514194       7.49191043 
O       1.47731669       8.76851381       8.79217684      -2.52663706       2.59314616      -4.13904780 
O       9.61461785       2.11475851       0.77824800       0.52923201      -0.29736183      -0.92903679 
O       3.80922237       8.85599784       6.38038559       0.65302100       0.14622673       3.22939844 
O       8.50567613       8.31645497       8.19826635       1.47044507      -1.26555567       1.60372871 
O       1.31079055       6.64354207       1.16692175      -1.12295019       0.04441160      -1.76502442 
O       0.60654078       8.59895394       3.65126574       1.60673381       1.04259171       1.46494574 
O       3.11970827       6.58330375       3.62774348       0.87997566       3.74254644       4.13778559 
O       3.45115148       8.97196009       1.31724286       2.96344321      -4.31112888      -0.29157139 
O       3.72588923       9.12886329       4.13338130      -0.70063077       0.55978180      -3.59195978 
O       0.78114452       3.78678849       9.09835631       0.73332806       0.44577696       0.35936467 
O       8.03585751       3.96459018       1.44849518      -0.74717515       0.11944040       1.64847767 
O       6.69747167       1.33832775       6.13816695      -2.89007281      -1.24987617       4.71792872 
O       6.15291927       3.60214536       9.11929174       0.56558955       1.85039982       0.88551306 
O       3.90146674       3.58081461       5.88644374       0.05043361      -1.86565418       2.41452383 
O       1.35482552       3.69365563       6.56428101      -0.98985516       0.57361099       0.18314439 
O       8.74361880       3.22238829       8.77851175       0.35306731       0.14700649      -0.98058317 
O       9.28327878       4.01150167       6.53872025      -1.47039917       0.65056478      -1.00024677 
O       6.59933378       4.01503161       6.65592117      -1.14254581      -1.21581249      -0.34367677 
O       6.92134160       0.76119814       9.03423922      -1.54580572       0.04299787      -0.21545228 
O       6.81772057       1.52513079       1.27177350      -0.08774053      -0.48277332      -0.20944760 
O       9.61585213       0.26028832       9.05803831      -1.47145466       0.10135417      -3.16191404 
O       6.55879704       8.51249025       1.10358889      -1.08358078       2.56105479       2.86991306 
O       9.10847095       9.11314201       6.21266620       1.23518596      -0.51597954      -3.18043286 
O       1.10531979       6.49609518       8.91517750      -1.69097143      -1.32143049       1.21113651 
O       8.95797097       5.76422993       9.26790927       0.65958510      -0.07147019       0.23931317 
O       8.97229826       6.17718452       1.28136933       2.32726414       0.94639878       1.20686500 
O       9.28291812       6.46402737       6.35925098      -0.58991111       0.14571817       3.14552331 
O       6.33569690       8.78640818       6.38413113      -0.19497185       3.57662608       2.99973033 
O       6.64829142       6.42115730       8.46649350      -1.72652313      -0.88501221       1.07007495 
O       4.13214723       5.82051579       7.05279812      -1.82356550      -1.05632904      -2.89602634 
O       6.77939355       6.01465124       0.66916487      -3.88296039      -1.16565209      -0.75434381 
O       8.43791460       5.75107695       4.55960432      -0.27831424      -0.79136064      -3.73595727 
O       8.96737339      10.19374524       1.74761028       2.68343629       1.15016739      -1.87973666 
O       8.38104158       8.40913307       3.25834325       0.59213473      -3.29494619       1.39308483 
O       9.53327402       8.28555561       0.18275409       0.63911361       0.90334383       0.27128161 
O       6.33072776       3.96620856       4.27477538       0.99109570      -0.97589205      -4.85948039 
O       5.99468163       6.25261914       3.36449260      -2.37281202       2.31537347      -1.45733975 
O       6.12283847       9.00481360       4.11027141      -0.80650674       0.29625172      -0.58678311 
O       9.15162466       1.09824997       6.22277655       0.38812551       1.61007988       2.80691443 
O       1.21601911       6.28290643       6.10137668       2.02813684       1.77276710       1.14559485 
O       9.45340299       3.12336757       4.27602923       0.01646471      -0.13173105      -1.94133762 
O       3.71441524       9.40782991       9.31135824       1.75445839       0.59077292      -0.59308924 
O       4.08598773       1.69081628       9.14754190       0.08631386      -1.72156977      -1.13452807 
O       3.42047431       4.02248270       8.98783366      -0.64243765       1.51425963       0.00741705 
O       6.06036990       6.45861583       5.76186142       2.40284978       2.94695735       2.13930456 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007181377302993536 -0.007145039080824916 -0.0110723626407319 -0.007145039080824916 -0.017635890071777037 0.016365682066255254 -0.0110723626407319 0.016365682066255254 -0.049570609924605886" pbc="T T T" energy=-925.36953634 free_energy=-925.36985095 config_type=crystal 
Hf       0.12867021       0.18574229      10.19355005      -2.73134610       0.93522965       4.10816009 
Hf       5.49949022       2.32844346       2.24027389      -2.00032426       3.22398149       0.45150129 
Hf       0.01413251       2.60088430       7.60749740      -3.11200064       0.82291360      -0.44590245 
Hf      10.32840881      10.40165924       5.14781481       0.79540671      -0.14132209       0.71412443 
Hf       7.81852991       5.01149119       7.23902248      -1.46292690      -1.10167172       5.85162945 
Hf       7.68934654       7.44236170       5.05675615       0.81703667       3.13226153      -0.28298602 
Hf       7.67710653       2.51308146      10.21997343       1.21672401       2.02909115       0.15456694 
Hf       7.40347265      10.34983700       2.95820277       3.50946218      -5.28713873      -5.35478463 
Hf       2.39859505       2.50121792       5.22333127       0.52592221       3.46131212      -2.10856478 
Hf       5.34531671       2.33462448       7.78893568       0.31969439       2.91754256       1.76724093 
Hf       5.05129530      10.31530607       5.68690836       1.62707027      -1.73540317      -4.09789564 
Hf       2.29418978       2.60835203       9.97032411       1.52717590       4.53044448      -0.56531316 
Hf       2.92399797       0.07664116       2.64202002      -5.17206763      -3.69131970      -9.51067790 
Hf      10.21536297       2.18519206       2.29164754       0.04133861       0.45197723       1.72618797 
Hf       2.62334748       0.21394566       7.90849830       1.70275468      -1.69825562      -1.81018417 
Hf       7.79125509      10.09646149       7.84912596       6.53467783       2.01768456       2.43700551 
Hf       2.44972181       5.18320145       7.65862887       1.54283876      -0.04567775       1.77729393 
Hf       4.92993720       5.20365701       5.37254715      -2.06449679      -0.88665796      -0.03509034 
Hf      10.05337791       4.99106368       4.74945313       3.84116010       0.36740859      -0.18191432 
Hf       2.20804040       7.97188873       5.08572659       1.74767815      -1.94017469       0.58666577 
Hf       5.19110406       5.25837870      10.09167289      -0.97818244      -2.84433084      -0.22362477 
Hf       4.51603186       7.35161504       2.66218221      -1.01348615      -1.25350302      -2.40644418 
Hf       5.00432802       7.87605758       7.89889242       1.14600985      -3.44132688      -0.70700600 
Hf       7.94465934       7.38014862      10.08637093      -1.29756757      -0.05013006       1.88307477 
Hf       7.45219438       5.56239952       2.48676033      -1.24396989      -1.49714923      -6.03669491 
Hf       2.19914371       4.69890442       2.79286591       4.62036890       2.27077438       0.93485511 
Hf      10.27608462       7.85172963       2.08561276      -0.91710058      -0.78673636       0.91458220 
Hf       0.20199944       5.20868654       0.03224898      -2.67724778      -0.77079446      -0.36601779 
Hf       7.66741525       2.36419254       4.89948433      -0.78476926       2.95262559       0.94477022 
Hf      10.41292097       7.83724860       7.61030862       0.96641068      -2.35030959      -0.97203883 
Hf       5.28196104      10.28021374       0.00628422       2.31271632      -0.90818321       1.81206284 
Hf       2.48481006       8.35429238       0.00080422      -0.66745396      -2.82640956       1.41811755 
O       1.52266495       9.05879460       1.70089503       0.33894226       0.93800293      -1.77657543 
O       0.64748686       5.74072546       3.04690717      -2.70374434       2.15400935      -0.25293850 
O       4.10029796       1.18515157       6.79122099      -6.44849134      -1.89418138      -1.70782519 
O       0.82058253       1.12793379       3.82812872       1.74044047      -0.85735722      -1.68417242 
O       1.48122372       3.93639601       1.16754417       0.63541587      -0.00313082      -1.76779321 
O       1.23139427       1.25377928       8.74821534      -1.20345309       0.55289219      -1.52012308 
O       3.68732934       3.94353616       4.28479299      -0.85170258      -2.51523847      -0.03435640 
O       5.96771996       3.26122176       0.62833036      -0.64215969       1.80585851       1.02041740 
O       3.50452324       0.61544678       4.15044948       3.66632271       7.34292031       8.86668043 
O       1.01618429       3.52016895       3.87705580       1.15908157      -1.44795813       1.51353022 
O       1.75723489       1.23238793       0.50843449      -1.03714475      -7.10928101       6.07703287 
O       4.25788743       5.24141927       2.01801440      -1.31136411       0.70141015      -3.26905829 
O       4.02644385       1.15328052       1.27668937       1.22803789       0.39618201       1.84640563 
O       8.64086029       0.67690107       4.65371629      -1.21393291      -0.70883027      -2.60797049 
O       1.57562215       9.01876431       7.03165765      -0.99512074       0.19313336      -2.31486033 
O       6.37460741       1.23076096       3.76808424      -2.02815464       2.26023203       2.18281916 
O       6.22117438       8.76685858       9.33389416       1.18023969      -0.56259140       0.26440388 
O       1.31422472       1.22775455       6.11845229      -0.02685807      -1.94998137       3.31308552 
O       3.79749792       6.41400647       8.85203283      -0.09748118       1.97289240       3.32987187 
O       0.96207602       9.01169167       9.42207912       0.10947698       0.88110890      -0.92729831 
O      10.34465885       2.47801519       0.42596220      -2.26910199      -1.13141342      -2.40140316 
O       4.09505387       8.68902438       6.29451146      -0.64207251       2.32675655      -0.32095828 
O       8.73475183       8.23188358       8.43096242      -1.34408516       1.41314313       3.57170658 
O       1.28708325       6.73671071       0.71118656       0.73245239       0.82078008       0.01089613 
O       0.53183011       8.67036921       3.96408884      -0.08894465       1.97928459       1.65546646 
O       3.26630269       6.23813873       3.82770861      -2.64012527       3.51860461       1.60353598 
O       4.07653676       8.99726569       1.28006754      -3.27017787      -0.35593742      -1.62648874 
O       3.41225562       9.00734443       3.85251162       1.04689144      -3.35228361      -1.48783646 
O       1.15474642       3.93125522       8.92324684      -1.71161603      -0.48771972      -0.01819012 
O       8.53219507       4.14666333       1.05887477      -1.47487153      -1.88155330       0.61564454 
O       6.21183549       1.30219393       6.37770634       4.75434345       0.48552297      -1.13529748 
O       6.22560085       3.60823773       8.91808355       1.36212770       1.87061188       0.64997214 
O       3.89947806       3.98830711       6.81728423       0.19090467      -1.66528131       0.58664640 
O       1.31363432       3.93035367       6.46281518       0.57553504      -1.16882600      -0.81127380 
O       8.81095634       3.13773452       8.73633254       1.13748389       1.01465377      -2.60876797 
O       9.39643965       3.77118474       6.16097583      -2.72963445      -1.59484645       1.00141992 
O       6.41458421       3.73873628       6.34495091       1.01497117       1.24315183      -1.97484629 
O       6.52406453       1.12311285       9.20335825      -0.92763256      -2.03262772      -1.34924667 
O       6.66662454       1.07082005       1.40528767       2.02453814      -0.16941820      -1.79317362 
O       9.04126141       0.72386594       9.18755994      -0.09885879      -1.04527081       1.73656955 
O       6.31248109       9.14712294       1.35212063       1.32953000       2.36829329       1.36581527 
O       8.85946205       8.69836400       6.37741141       0.91676341       2.13804656      -4.13657835 
O       0.88347507       6.40164390       8.72621393      -0.30970973      -0.02695209      -1.31908239 
O       8.53860991       5.66764700       9.25803221       1.33448246       0.59938919      -0.16624441 
O       9.10409241       6.28898510       1.33319157       1.21613543      -0.19945108      -1.86803815 
O       9.08138599       6.27328988       6.63004182       1.25599064       0.96974199      -2.07744913 
O       6.35142666       9.49889726       7.04200841      -5.84142851      -2.83962670      -2.85784598 
O       6.17512969       5.99319919       8.47330281       0.06168615       1.31798775       2.23540533 
O       3.56630228       6.48948034       6.54845538      -0.34233392      -1.00655947      -2.09700118 
O       6.14531850       6.70698713       1.30990501       0.85348392      -1.79368110      -2.23123190 
O       8.33183935       5.66196270       4.11510606       0.55300225       0.76967042       4.35406764 
O       9.48923738       0.32726489       2.02099119      -0.72501128       0.94860209      -0.23770386 
O       8.30757859       7.80645034       2.84981711      -0.38486710       0.81100969       3.63079372 
O       9.13834410       8.61215171       0.63707027       1.59048445       1.47061705      -1.91536330 
O       6.23079439       3.85155229       3.45579198       1.73962716      -0.06413521       0.54696484 
O       5.55604779       6.49928947       3.92196783       5.78032181      -0.08712912       2.66486699 
O       6.72165414       9.26274881       4.40134941      -1.87054125      -1.57409054       1.99988376 
O       9.38331692       0.98950647       6.80467654      -0.01016399      -0.46606192       0.49733331 
O       0.80652558       6.67820612       5.29649147      -0.96387819      -1.76324196       2.76350191 
O       9.06085675       3.20589523       3.63090375      -1.46383336      -0.59101246       0.48741243 
O       3.79092598       9.22697094       8.86845210      -1.55256006       0.96223633       1.94619761 
O       3.87811519       1.40449925       9.14535771      -0.96322830      -0.21288701      -0.13716062 
O       3.54047223       4.07198595       9.55165915       1.88384483       1.45712494       0.07261968 
O       6.41843996       6.76169479       6.42561516       0.06589042      -0.83289477      -2.41018736 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011694773732651386 -0.002803806934691729 -0.006573911791785398 -0.002803806934691729 -0.006918539077461491 0.0028568213395315577 -0.006573911791785398 0.0028568213395315577 -0.025688327026922503" pbc="T T T" energy=-929.54284541 free_energy=-929.54616886 config_type=crystal 
Hf      10.46104519       0.09832503      10.38918091      -1.36297915      -0.46879515      -3.11161936 
Hf       5.46256306       1.82466140       2.84472070      -2.56694890       1.80340589       1.19449728 
Hf       0.12601294       2.72047989       7.57007844      -2.11276069       0.23123311       2.74921264 
Hf       9.61582481       0.08565528       5.19665041       1.03982198      -1.41354255       0.34000644 
Hf       7.87637199       5.19708131       7.58453372      -2.03951076       0.20521773      -2.25858017 
Hf       7.96015580       7.30533727       4.99603544      -2.27739718       0.49818545       2.04411703 
Hf       7.92010364       2.41623782       0.21311214      -0.04860394      -0.35907845      -2.44808860 
Hf       7.72217702      10.02975653       2.38735173      -0.47168544       3.37581939       2.97805090 
Hf       2.28284673       2.36616333       5.02320612       3.52869989      -3.07336752       1.27817271 
Hf       5.16426338       2.31226198       8.13777894      -0.25147750       1.99972726      -1.36777569 
Hf       4.67067321      10.10246752       5.19072194      -2.47853442      -1.05490608      -3.57083848 
Hf       2.67013768       3.01548408      10.37891639       1.41692202      -0.08915050      -0.40818709 
Hf       2.41610374      10.33717719       2.55111511       4.92971385       2.02622613       1.04854263 
Hf       0.29894984       2.75045446       2.09913163      -4.05405898      -4.68006965       2.73215667 
Hf       2.59974128      10.23940237       7.84983431      -2.38533133       2.35329382      -0.05151872 
Hf       6.87128030      10.30004478       7.55759959       2.50454485      -1.37703550       0.25763033 
Hf       2.51335097       5.27746078       7.77848664      -2.06385140       0.19335924      -0.91051362 
Hf       4.96488772       4.37231523       5.33013005       1.56046216       1.81765376      -3.13865908 
Hf       0.04426219       5.37268520       4.71183761       1.16844873       1.41170468       1.58775491 
Hf       1.89203149       7.89388927       5.12946557       2.36054287       0.02130592       1.02294955 
Hf       5.59091991       4.82614620      10.45110355      -0.61359833       1.80105794      -0.34137090 
Hf       5.63452315       7.54467822       2.19981271      -0.69209162      -1.80919926       3.78203307 
Hf       4.72876281       7.58099458       7.70164401       1.57505012      -0.02093736       1.18876811 
Hf       7.30667924       8.13319160      10.04783710       0.73519014      -2.83611420      -0.55502118 
Hf       7.77437405       5.04438102       2.61747396      -4.46445843       2.22910178      -0.33085809 
Hf       2.60768806       4.74996304       2.86507620       4.89073345       2.42450450       1.69129943 
Hf       0.07354348       8.15264942       2.54884949      -1.19281504      -1.97895903      -1.21445635 
Hf       9.95313023       5.41945728       9.95257615       3.25152714       1.12588099      -0.61822635 
Hf       7.94615119       2.94665813       5.28284658       0.04748719       1.99892289       0.51081271 
Hf      10.15874313       8.05146168       7.47642238      -3.11152173       0.53690630       0.62236237 
Hf       5.03551834       0.14280931       0.14277655      -4.55545866      -1.83293730      -0.47034139 
Hf       2.48078245       7.70697466       0.34173954       0.73609385       1.92674896      -0.20101736 
O       1.38080325       9.40523524       1.16520560      -1.45316837      -1.69723128       0.14068761 
O       0.76590678       6.76893395       0.62999784      -0.28003361      -0.27765405      -0.21795987 
O       2.57445505       0.55411035       5.91600846       1.58903538      -0.72841895      -0.60034339 
O       1.33679602       1.38242845       3.38393388      -2.38725638       1.03027580      -0.77184298 
O       3.78398040       4.44812903       1.08602388       0.77118870      -0.74612635       0.08519746 
O       1.37809847       1.30346453       8.00388097      -1.81287336      -0.45974943       1.12207805 
O       3.48006027       3.07990134       3.59621782       1.55180255       2.38230459      -1.26731795 
O       6.64925012       3.90759439       1.38308750       0.43107215      -2.50701565      -1.99647590 
O       3.87757157       0.93400651       3.83085380      -0.03097962      -0.59486689       0.74719301 
O       1.23069021       3.77527608       4.15899094      -2.62115374       2.25594232      -2.99192841 
O       1.28711318       1.46999841       0.50225734      -0.60753238       1.64108559       1.68566963 
O       3.68895694       5.53521471       4.50880118       1.08280424      -0.31145246      -4.22407765 
O       3.67186239       1.68305947       1.04407420       3.30458172      -1.55007801       1.73486530 
O       7.89458715       1.73424390       3.73516511       2.23632231      -2.68560258       0.34624599 
O       0.64849978       9.54880303       6.32312406      -1.20957249      -0.98305620      -0.60000674 
O       6.01140651       0.05683523       3.59783579       1.22005498      -0.09323192       1.43822753 
O       5.51488851       8.92082946       9.20759978       0.88822120       0.56221814      -0.18903521 
O       9.68173549       1.96629703       5.98022969       2.03256903      -2.01342186      -2.40144879 
O       4.06190239       4.20097987       9.16898149      -0.21484730      -1.60232017      -2.12490419 
O       0.48891189       9.13773413       8.86476475       1.16133979       1.48285556       1.43991992 
O       1.51244932       3.86538285       1.44464132       1.08660965       2.08020498      -1.88544075 
O       3.01869950       8.44480575       6.88512509       0.77337039      -0.68325244      -0.90109930 
O       8.09097807       9.19239763       8.70171046       1.08762217       2.27715219      -2.60996529 
O       0.53074624       6.37722343       7.88542682       1.90102766      -1.05282642       0.49617552 
O       1.34482935       9.27896891       3.77135231      -3.01884225      -1.57865986      -0.86501739 
O       4.37589551       5.80617615       6.96245608      -0.32929648      -0.99682019       0.30503811 
O       4.17929244       9.55424200       1.98269265       0.97748400       0.17108419      -3.97619900 
O       3.61189452       8.80534729       4.03772777      -0.22171858      -1.25334243       3.08813087 
O       1.26347129       4.24100492       9.33766325       0.64469058       0.04150328      -1.05958158 
O       9.30356322       4.27335208       0.96989156      -0.90354579      -1.62492949       0.66660970 
O       4.84549601       0.52727575       7.06631459       2.13007914      -1.20734598       0.83384855 
O       6.67428622       3.41571701       9.25829115      -1.02500466       1.53446418       0.76649580 
O       4.10347215       2.82184504       6.09454456      -0.07341681      -0.18981651       1.61627017 
O       1.64262488       3.44085577       6.65543900       1.76601253       2.28115861       0.62869600 
O       9.21492267       4.06526926       8.49828981      -0.34538044       1.66424888       1.67912335 
O       9.57938778       4.36204695       6.09838105      -0.70179600      -0.31996250       1.91241309 
O       6.42289312       3.70561285       6.62392642       0.58652622      -1.24531651       2.56370857 
O       6.52462531       1.00880206       9.41541309      -1.17646713      -0.45182274      -1.41762598 
O       6.48029269       1.06635988       1.30729212       1.85354906       1.24345565      -0.04271717 
O       9.45092125       1.69348129       9.34614925      -0.50062314      -0.47529359       0.83606188 
O       6.57140410       9.10186939       1.23689625      -1.52128474      -1.34085922      -2.98523247 
O       8.26165866       9.32585152       5.84569192       0.75688490       2.15853285       0.86369262 
O       2.11955402       5.86664787       5.61011649      -4.91477419       2.54031818       3.50783729 
O       8.32230809       7.01644283       6.95986695       1.54485908      -0.22964912       1.92874335 
O       8.87329627       6.97987361       9.55257317       1.07802010      -2.54804485      -0.99070598 
O      10.12365321       7.52474932       4.98851244       2.43303181      -0.21740542       2.26497586 
O       6.06398001       8.29793231       6.32325531      -2.15671158       1.70944931       1.07049460 
O       6.31754704       6.39647601       9.02793626      -0.73654396      -0.84087598      -1.07730325 
O       3.20097539       7.01944255       9.22041198       0.21074871      -2.31989710      -3.17360188 
O       7.08364368       6.43102085       0.94068186      -1.60335195       0.33953099       1.57441812 
O       8.81513801       6.73440595       3.38439784       1.77283251      -0.77333977      -4.49152781 
O       9.25381455       1.37236321       1.32395776      -0.16528262      -0.78906184       1.41293953 
O       9.30657979       9.54375906       3.36470988       1.20906479       0.60480293       0.93469219 
O       9.26933697       8.96787053       0.59933648      -0.99215859       1.12981623       3.04754156 
O       6.33244641       3.40309561       3.69020283      -0.80739835       0.73234969       3.09332614 
O       5.98008211       5.85328850       3.39862581       1.11631596       1.25660311      -1.95065025 
O       6.85213040       8.22839331       3.73217355      -1.12292812       2.67007415      -2.76942538 
O       7.80648153       1.54376534       7.08578277      -3.13089171      -1.46480773      -0.98970128 
O       1.11499286       6.42999893       3.10013187       1.03433885       0.47961399       0.86866951 
O       9.18353778       4.42771890       3.69178470       1.05463747      -5.16367613      -0.98407912 
O       3.96293934       6.88845607       1.39713524      -0.79528456       0.08198252      -0.10638909 
O       3.22688112       9.74549988       9.64160473       0.03857372      -2.02494992       1.99642874 
O       3.51465452       1.47771127       9.06493627       2.90482232       2.31670062      -0.93737513 
O       7.46346271       5.27325473       5.41790243      -0.33959724       1.22632568      -0.07601627 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03838840029340166 -0.0023352860611158908 -0.006501632719368164 -0.0023352860611158908 -0.027818142308021876 0.003837982005335726 -0.006501632719368164 0.003837982005335726 -0.04875412678347329" pbc="T T T" energy=-926.27548435 free_energy=-926.27558423 config_type=crystal 
Hf      10.45958892       0.18077273      10.45080914       1.19629496      -4.43547896      -0.23392580 
Hf       5.52350890       1.95606475       2.80384903      -1.54930265      -0.53789010       1.96920882 
Hf       0.12001926       2.78212382       7.65633217      -0.85299017      -2.56926923      -1.25441309 
Hf       9.72330337       0.05287378       5.22595305       0.73652637      -0.24622190      -3.43792745 
Hf       7.97483925       5.18663478       7.66125997      -4.04065860       0.77280724      -1.61279593 
Hf       7.93502112       7.29966134       5.14961751      -2.09675932       3.32444474      -2.50424358 
Hf       8.02557458       2.37706210       0.05435380      -0.94312054       0.15277171      -1.07884856 
Hf       7.71251766      10.08449800       2.44136350      -1.64183015       2.56166109       0.36116035 
Hf       2.28479794       2.37611731       5.02204625       2.19369621      -1.35548903       0.92099449 
Hf       5.24694124       2.28667463       8.19881949       3.05680607       8.15422396      -8.87819781 
Hf       4.54578977      10.04814795       5.24310715       0.17973426      -3.37786243      -2.35462083 
Hf       2.72282076       2.98666204      10.30285946      -1.61532610      -1.84084142       1.52991722 
Hf       2.40970492      10.35383153       2.50676343       3.31507391       1.17987343       1.84186645 
Hf       0.27283070       2.74314895       2.13317263      -2.89702080      -1.02152022       1.17298766 
Hf       2.54794364      10.21248026       7.86313381      -2.25621147       1.01217802       2.27202456 
Hf       6.82941853      10.27682855       7.51572369       2.95639383       0.12514406      -1.47935082 
Hf       2.46564100       5.33719191       7.82540390       0.90627087      -0.58936972      -1.84770356 
Hf       4.90055973       4.40713513       5.31476881      -0.26252066       0.87955697       1.62308676 
Hf       0.10737013       5.41478810       4.70849146      -1.55094490      -2.53334312       1.71396223 
Hf       1.82376685       7.82531347       5.10842914       3.75134247       1.94107282      -0.83762907 
Hf       5.51289565       4.80192134       0.10782970      -0.55542875       1.71814891      -1.62625018 
Hf       5.62295967       7.54505009       2.25470531      -0.31107493      -0.20822780       0.63719836 
Hf       4.84002229       7.57821141       7.77193323       1.52506590      -2.20195200       0.52968038 
Hf       7.43654689       8.13601455      10.12185155       1.52939394      -1.22150379      -3.02397890 
Hf       7.75990181       5.01320964       2.50348908       3.31241944      -1.34492396      -0.90296991 
Hf       2.67181269       4.82227674       2.77262564       1.58467943       2.85394405       0.15709139 
Hf      10.37989174       8.09004082       2.53388345      -0.57317276      -0.80321550      -0.89347802 
Hf      10.07009033       5.30677074       9.91050684       2.14892600       1.87428626      -0.29597168 
Hf       7.94753702       2.95141963       5.27850342       0.75899331      -0.45983365       0.72523278 
Hf      10.12367738       8.07736960       7.47693219      -2.28364189       0.44769544       3.45521896 
Hf       4.90821837       0.16916425       0.08272087      -0.98093523       1.35761808      -2.35635294 
Hf       2.45708059       7.69382681       0.32017550       3.26541929       2.82556069      -2.25457020 
O       1.40277652       9.42633991       1.20031112      -2.23704516      -1.67431826       0.02312479 
O       0.77021509       6.95789888       1.00911040      -0.87948980      -1.55228189      -2.19433903 
O       2.46135876       0.55679566       5.97024357       0.90269123      -0.40204449      -1.35391393 
O       1.23248087       1.51955356       3.29680883       0.94562011      -1.83753889       1.17261106 
O       3.67047886       4.27804690       1.12779344       4.20621179       0.70505700      -3.95898750 
O       1.45579211       1.27200229       8.13739661      -0.28794936       0.69956468       0.21078924 
O       3.63482617       3.21392051       3.15358914       0.67427594      -1.89261200       4.09581355 
O       6.68380062       3.70505123       1.19922358      -0.02568547      -0.59127664       3.10857142 
O       3.96379181       0.87466337       4.00024318      -1.02642664       3.32075643      -2.44262344 
O       1.11140295       3.95180833       3.82257965       1.16402644      -0.90909313       0.28257124 
O       1.15972760       1.58985430       0.66608823       0.90809521       0.62979513       1.12308841 
O       3.98895423       5.74274816       3.93310429      -0.58486105      -0.35774035       0.99649611 
O       3.69688540       1.58302186       1.12424446       1.16922679      -0.19232567       0.64979156 
O       8.01737870       1.59996004       3.88307847      -1.04421184      -1.46773085       0.17726339 
O       0.39263300       9.35754108       6.23465799       4.15433058      -1.04356968       0.54319440 
O       6.10705994      10.36884383       3.54398332      -2.18023501       4.75312118       1.00609506 
O       5.49841723       9.10501396       9.29471080       0.60974508      -2.21075148      -2.22031398 
O       9.81574252       1.75412581       5.90698282       1.60555549       3.02333703       1.19295161 
O       3.66448162       3.93418942       8.87094462       1.72620722       2.79242602       0.32773873 
O       0.65120016       9.44250830       8.75495170      -1.30005098      -1.78915968       0.18448417 
O       1.50543278       3.92830072       1.31820146      -2.10819800       1.43491208      -1.51098150 
O       3.30339908       8.27906741       6.76575714      -2.29915644       2.60108931      -0.53704777 
O       7.99689028       9.24834062       8.51934634       3.17581371      -2.20956101       2.26991788 
O       0.75266442       6.49990561       8.00931889       0.05718080      -0.36583670       1.70776782 
O       1.09143114       9.15311861       3.59546216       2.32950679       1.30645372       1.60781745 
O       4.07980074       5.81157075       6.67407365       1.11484293      -0.06055732       1.14441566 
O       4.25778319       9.55966318       1.38014252      -2.97280625      -3.42983683       5.81583559 
O       3.47844513       8.75162921       4.10494883      -0.52691526      -0.18341825      -0.39090101 
O       0.98750586       3.81313474       9.09966584       2.89630637       3.00774939       2.40918657 
O       9.04156650       4.25347844       0.66908009       0.14328944      -1.63708601       2.21275211 
O       5.03947446       0.26536160       6.99984396      -3.20618358       2.32783516       1.12054048 
O       6.58221401       3.39548448       9.45102036      -1.28168214       2.18887688      -0.67608477 
O       3.96299303       2.88648596       6.42008189       1.82535093       0.55371826      -3.68433469 
O       1.76334067       3.39602516       6.66453706      -1.43505052       1.34626442      -0.68959601 
O       9.22843129       4.05138763       8.67144503      -1.64199145      -0.59488840      -0.01361486 
O       9.58133114       4.11042275       6.15365661      -0.06886765       1.60108701       1.38940746 
O       6.35103397       4.03599593       6.90058817      -0.15258368      -1.69094534      -0.61318333 
O       6.27145683       1.16845180       9.18119032       4.24980449      -5.23160268       3.04478827 
O       6.49914953       1.09578361       1.27229555       0.80192536       0.81070937      -0.77193323 
O       9.87011799       1.50160466       9.37856924      -4.86767640       3.90312107      -2.43491048 
O       6.54903165       9.03138519       1.08700352      -0.69819517      -0.36467781       1.60565137 
O       8.35972204       9.43778794       5.79338750      -2.90805133      -1.95123746       2.02505188 
O       1.76107452       5.98678456       5.87585007      -1.07113643      -0.95578564      -0.71243622 
O       8.38515061       7.03564496       7.02776757       1.63195660       1.61659164      -0.89895253 
O       8.83330241       6.75608491       9.14415399       1.71318355      -1.62821635       2.85478420 
O      10.34588758       7.39785136       4.94953035      -4.59073995       0.30803941       2.33110616 
O       5.98347264       8.49241378       6.35766242       0.24558023      -0.21320689       0.00445010 
O       6.27777276       6.07618841       8.60623286      -0.84312020       1.06077906       1.50540271 
O       3.43121148       6.82871583       9.12349696      -2.15609887      -0.72782934      -0.16363536 
O       7.25232952       6.41991977       0.94405239      -2.05041954       0.38783381      -1.17081563 
O       8.82806062       6.86392162       3.05232039      -0.11619672      -1.44484931       0.78394660 
O       9.07877583       1.37563211       1.47981801       0.66590458       0.36475509      -0.66637717 
O       9.35217328       9.83263015       3.40479584       0.30977878      -1.88818274      -1.78071729 
O       8.96439198       9.25550798       0.61852186       0.60666433      -0.79649073       1.17020980 
O       6.25206192       3.61672917       3.99476036       0.23742930      -2.65768877       0.37924433 
O       6.22241012       5.73262200       3.02961125      -3.29892160       3.09026684       1.01536309 
O       6.60874122       8.40845005       3.68519099       2.26028084      -3.51539922       0.88727792 
O       7.72103485       1.53398310       7.12613782      -1.28196927       0.73413014      -1.47555762 
O       1.18838939       6.55975312       3.37234214       1.92614329      -0.70119455      -0.98417936 
O       9.04029109       3.80399251       3.71716377       0.81988727       2.31231847      -2.10505347 
O       4.13211636       6.80320667       1.06422363      -0.65038047      -0.03115266       0.65377389 
O       2.82359750       9.62765266       9.93053036       1.87711218      -0.25906074      -3.11073492 
O       3.82375196       1.69323848       9.00952956      -5.43625479      -5.33666017       4.20508509 
O       7.54803798       5.43493481       5.60249500       0.15279249       0.49692314      -2.76537104 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.024733365108157247 0.006125746495476513 -0.0148182882347549 0.006125746495476513 -0.01612241968497959 -0.008938310710619003 -0.0148182882347549 -0.008938310710619003 -0.03153993645517562" pbc="T T T" energy=-929.73158231 free_energy=-929.73160968 config_type=crystal 
Hf       0.00761374       0.22194142       0.04542017      -0.33390573      -1.31049135      -0.74454580 
Hf       5.57029930       2.14562699       2.78473430      -3.98199095      -0.48040702       0.87194211 
Hf       0.09257909       2.81568107       7.76260209       0.91647206      -0.73693887      -1.76178937 
Hf       9.89667576      10.45755827       5.19307254      -0.40436727       0.87043270      -3.01807936 
Hf       8.01606070       5.19518881       7.72319905      -3.94122823      -0.29687216      -1.64669623 
Hf       7.84518114       7.41342925       5.30867109      -4.65019492      -1.14547875      -1.13031163 
Hf       8.14237255       2.32514022      10.26085965      -6.74314081       2.55973927       5.06882632 
Hf       7.64402287      10.25537138       2.54895959      -2.21604982       2.11062167       0.14353012 
Hf       2.35219514       2.34343493       5.04144378       0.54630609      -1.76993400      -0.42415021 
Hf       5.41866541       2.40748609       8.11930201      -1.20744108       0.58742209      -5.11883570 
Hf       4.34359797       9.90322520       5.25061184      -0.32917409       2.98161932       0.42484255 
Hf       2.75432088       2.90585251      10.20488861      -5.32011583      -2.89120143      -3.02057427 
Hf       2.50015340      10.40906501       2.49812463       0.44899805       0.69106574       2.79761580 
Hf       0.13443101       2.71866003       2.23340126      -0.13575005       1.06903341       0.02434666 
Hf       2.40795392      10.20250901       7.92817214      -0.59639588       1.26943457      -3.42827292 
Hf       6.84597460      10.21294025       7.42950031      -0.65205712      -0.00645468       0.58793300 
Hf       2.40967781       5.39627183       7.83345387       0.10097598      -1.40059618      -1.21912971 
Hf       4.79759629       4.49536101       5.32596774       3.84301207       1.28330097      -2.05216348 
Hf       0.15974770       5.41043469       4.74064069      -2.49358933      -3.18757478      -0.41633759 
Hf       1.81094963       7.77714990       5.06883707       4.61859025       2.85715893       0.52479470 
Hf       5.43188244       4.85366069       0.25024046       1.93424680       2.49227836      -0.57562442 
Hf       5.56339496       7.55669175       2.34532167      -2.38071997      -1.54558629       0.70160240 
Hf       5.03254814       7.51105315       7.88830817      -5.33283844      -2.48460118      -3.93948819 
Hf       7.66120848       8.10908292      10.17459388      -0.98582044       0.51286420      -0.19263886 
Hf       7.79199976       4.93669722       2.30524335       2.69467878      -2.52151715       0.48310783 
Hf       2.82223825       4.99123847       2.61298992      -0.47952935      -0.66487036      -2.53840375 
Hf      10.14498175       7.98789825       2.48482136       2.75757167       0.75603106      -1.46412156 
Hf      10.33742858       5.16304083       9.87165610       0.40112769       1.68824583       5.21989927 
Hf       7.97371246       2.94130321       5.28366451       1.27074402      -0.71321084       0.45154982 
Hf      10.03741852       8.14261694       7.57919240       1.43940399      -1.34794044       1.67298516 
Hf       4.69161335       0.19361790      10.43653293       6.42643863      -5.80901380       5.14469670 
Hf       2.49947425       7.73788951       0.23710998      -0.75042418      -1.18616181      -0.46623136 
O       0.82591296       9.20377941       1.16107051       1.99671630       1.49826105      -0.19053674 
O       0.57054113       6.75922979       0.91486007       0.17378281       1.39997050       0.27988851 
O       2.55539851       0.48983627       5.77828540      -0.60072999       0.46776311       1.74784247 
O       1.23109986       1.31746066       3.49498350      -2.05189031       1.37394458      -1.00466664 
O       3.84667964       3.89527013       0.74199759       2.37923394       2.92462552       4.81718563 
O       1.45934277       1.42244198       8.39805617      -0.79755115       0.64644188       0.04767014 
O       3.83194742       3.44782699       3.45411875      -0.78953048       1.73261653       1.06291159 
O       6.56187986       3.43719804       1.70609736      -0.95503905       2.75555327      -2.77924563 
O       3.71366931       1.21106985       3.90195750      -0.53010050      -2.59721160      -0.43462519 
O       1.18540966       4.06746685       3.46832295      -0.41472600      -0.69930412       2.02531614 
O       1.32201189       1.60199613       0.84065942      -0.14678422      -0.91937299      -0.39234174 
O       4.17883308       6.01195389       3.36339543      -1.13357135       1.52368137       2.30585566 
O       4.02468825       1.35129611       1.49646722      -0.77697346      -1.00707847      -1.51846977 
O       8.14155766       1.02854466       4.31286701       1.98496577       0.64586887       0.49397918 
O       0.86939113       9.07082288       6.17993703      -3.71547980       1.36923305       2.51461413 
O       5.84893424       0.51534951       3.68959914       2.13501068      -4.08456151       0.16430827 
O       5.67119692       8.81997852       8.95405065       2.69805143       3.14626641       3.86112531 
O      10.45620415       1.80850870       5.91221132      -1.30137651      -1.53638639       0.31687966 
O       3.63622791       3.83298378       8.64547410       1.13359677      -0.73748993      -0.01542191 
O       0.46489918       9.51711808       8.74775180       0.59350432       0.76754013       0.56023043 
O       1.21403357       4.44220485       0.85409854       1.28840173      -2.47524130       3.22775678 
O       3.23317214       8.65765582       6.60128677       0.20329854      -1.03786333       1.25816809 
O       8.57474070       9.00747170       8.63814263      -2.10857179       1.05005837       0.11745603 
O       0.90886147       6.67067946       8.78692595       0.24764539      -0.27499086      -1.20671316 
O       1.19452855       9.16424418       3.73459794      -1.95775535      -0.85537910      -0.60882336 
O       3.92955133       5.85364738       6.43560683      -1.02325194       0.81496486       0.68068844 
O       3.63290478       8.94587623       1.60404866      -0.19228164       0.61656477      -1.13844471 
O       3.37565731       8.72422263       4.07570584       1.75570118      -0.28438338      -0.53351216 
O       1.25133772       3.97012700       9.17448305      -0.51728526      -0.83906344      -4.18650446 
O       8.89633887       3.95259696       0.84789324       1.93090507       0.74876522      -0.87788544 
O       4.64811090       0.48903916       7.21197165       1.94475324      -0.55351488       0.19575239 
O       6.21264673       3.55810955       9.43710984       1.49542795      -0.44421876       3.02183467 
O       4.16860059       2.97950128       6.06997254      -2.06904049      -2.69637260       1.31158871 
O       1.62848985       3.66522148       6.45431045      -0.17832941       0.25516208       0.61109270 
O       8.86554186       3.79360470       8.89100613       1.43767209       1.05296956      -0.78427138 
O       9.41326208       4.21561078       6.51627088       0.67261064      -0.53703755      -0.96447096 
O       6.28062679       3.94506558       7.07760940       0.49472044       0.87131019      -1.40457033 
O       6.56581347       0.65783081       9.29452105      -0.85357258       2.06873045      -1.34545847 
O       6.68442796       1.13815854       1.11545986      -0.41154288      -1.08075177       1.72967248 
O       9.40840084       1.68309181       9.19806539       4.65869239      -5.13937528      -2.35950890 
O       6.30982100       8.89469421       1.11618580       0.59670472       1.05180595      -0.08445778 
O       8.23225398       9.46406962       6.09507729       3.18410768       0.71146540      -0.34102284 
O       1.04047655       6.03478967       6.26561355       1.76877038       2.14006826       0.48580099 
O       8.47299971       7.02997762       7.07344741      -1.24268733      -0.45164999       2.35875779 
O       8.95717460       6.29770020       9.16386823      -2.05151615       2.24789161       1.40033839 
O       9.66446689       7.27200043       5.19899170       6.21021791       0.35991944      -3.60632141 
O       5.84525611       8.67894155       6.38017689       0.83640289      -0.19487818      -0.84890901 
O       6.08810345       6.08181881       8.36394012       2.65301519      -1.16297430       1.40552823 
O       3.41566760       6.59025906       8.98248742       0.50128219       1.99842098       0.27954627 
O       7.01176580       6.43010370       0.58703335      -0.74708801      -1.49568464       0.22718722 
O       8.80966324       6.52341019       2.70646157       2.38912170       1.81365654       0.98539527 
O       9.14836120       1.43020686       1.45079387       1.42489505      -0.72809662      -1.06498806 
O       9.44941819       9.78271350       3.18355241      -0.07644624      -1.08566345       1.78903893 
O       8.77048438       9.42930153       0.90805672       0.32237975      -2.01912959      -1.29756707 
O       6.33575331       3.24071000       4.47058238      -1.87147613       0.11668594      -2.17274424 
O       6.19717664       5.75971428       2.76888376      -0.54389463       0.37630917       0.00181270 
O       6.84755698       8.18106840       3.83875893      -1.63634685       2.18312533      -3.12807642 
O       7.15918955       1.74797241       6.77481532      -0.00768782      -2.59023456       1.46520307 
O       1.61880297       6.49656313       3.55560101      -2.61907915      -0.49589590       0.18086936 
O       9.00628567       3.45482532       3.34833216       0.26472974       1.21981818       1.83510420 
O       4.15106866       6.62316825       0.76851454       0.26411704      -1.09486433       1.25287001 
O       2.81992752       9.38401920       9.61752525       1.86272453      -1.17780259       1.57990966 
O       3.63962545       1.14407937       9.42381818      -2.12747525       5.16355876      -3.86181869 
O       7.61753784       5.36146093       5.31143061      -0.46117093       0.97183344      -0.31384559 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012669157180601399 -0.0005118593352027023 -0.0017306113158832084 -0.0005118593352027023 -0.007096034377485283 0.0010776016062061366 -0.0017306113158832084 0.0010776016062061366 -0.02653832802701199" pbc="T T T" energy=-930.32261746 free_energy=-930.32279028 config_type=crystal 
Hf       0.01425088       0.22153774       0.06120058       0.23550859      -2.58300267      -1.88069565 
Hf       5.54340567       2.23618370       2.78708134      -3.66698360      -3.40019586      -0.72916697 
Hf       0.08697779       2.81302548       7.79177233      -0.39391953      -2.56607720      -3.79250803 
Hf       9.99047165      10.42465536       5.12708817       4.95884015      -0.47316559      -2.57524640 
Hf       7.97110680       5.19321038       7.73503695      -3.00513386      -2.29244506       1.21134014 
Hf       7.74784705       7.50182416       5.36548780       0.64829058      -1.20991239      -3.30863254 
Hf       8.12887503       2.31950553      10.16472864      -1.35128963      -2.44859213       0.37688190 
Hf       7.57077873      10.38535897       2.61916320      -0.28754450      -3.87035926       1.78640600 
Hf       2.40050325       2.29818840       5.05321512      -2.63188600       0.49326208       0.19401294 
Hf       5.50041104       2.49723406       7.99621532      -2.00436499      -1.96092505      -1.62070670 
Hf       4.22459193       9.85862819       5.25396615       1.71760174       4.37809638       2.15799101 
Hf       2.70488274       2.83321311      10.11906367      -1.65048674       0.79998259       0.67303138 
Hf       2.55919407      10.44407749       2.52996585      -4.33707970      -1.82363614      -1.21723846 
Hf       0.03901046       2.73204808       2.29948589       2.57887035       1.07508272       0.37080597 
Hf       2.31042684      10.21907680       7.93212156      -0.45310380       1.58174695      -1.58873213 
Hf       6.86194843      10.16564538       7.38762892       0.25832880       1.33344265       1.87870956 
Hf       2.38363571       5.40522744       7.80492761       1.06104395       2.78667090      -2.69771129 
Hf       4.77913140       4.56276647       5.32334282       3.21647794      -0.25469539       0.35903185 
Hf       0.15330084       5.35574555       4.76170089      -0.56081595      -2.19785509       1.47465969 
Hf       1.86593214       7.79879944       5.05648696       1.58024229       1.75913036       0.77809854 
Hf       5.44402857       4.94562373       0.31356306      -1.79179506      -1.70599603      -0.79447580 
Hf       5.48028025       7.55589694       2.39524251      -1.60962341      -1.89042282       1.49414233 
Hf       5.07940919       7.44199915       7.91659161      -1.71563087       1.32086123       0.14372339 
Hf       7.77585984       8.09470854      10.19297409      -3.36914418      -1.38371167       0.53327478 
Hf       7.85524513       4.86100932       2.19300602       1.75720322       1.93339007       2.04234645 
Hf       2.90614096       5.08340393       2.48044712      -1.25578301       1.38766226       1.12353837 
Hf      10.05839687       7.94635633       2.43268482       3.59766570       1.91985467      -1.46231614 
Hf       0.04799423       5.09743534       9.93514020      -2.03978851       4.85916953       4.80801178 
Hf       8.00564693       2.91594308       5.29145472      -1.18302238      -0.36800403       0.91387784 
Hf      10.01890182       8.17056023       7.68005015       1.15377353      -1.10010736       1.14562397 
Hf       4.64031484       0.13848101      10.42165125       3.40967065      -2.12133914      -1.89783121 
Hf       2.52102792       7.75014459       0.17734505      -3.09069922      -2.37716905      -0.42787755 
O       0.77535651       9.35281004       1.21285727       2.07172868      -1.38486052       0.81115475 
O       0.50439276       6.74021867       0.79962794       0.64225291       1.00689575       2.70962575 
O       2.55972858       0.51071560       5.90604202      -0.49169876      -0.20094276       1.12273690 
O       1.02202642       1.29755845       3.54848954      -1.04922595       0.70286836      -1.71407925 
O       3.78200051       3.76484327       1.21978631       0.26146094      -0.83974302      -1.50068174 
O       1.39010478       1.60711013       8.51902419       0.41643545      -0.38869095       0.02269014 
O       3.73954709       3.92638635       3.86835022      -0.77876039      -2.42562174      -1.70107454 
O       6.28096611       3.71009667       1.78353206       1.02332792      -2.24506843      -2.45756349 
O       3.43904857       0.98651335       3.81853802       2.93640705       1.45677383       1.70674309 
O       1.24513221       3.99631846       3.60440459      -0.83442265      -1.18800296      -0.24865087 
O       1.51886531       1.30468855       0.71328388       1.37320151       2.12102540       1.26012250 
O       4.07276317       6.35942953       3.47169966      -0.66782420       0.10841791       0.56770715 
O       4.09294880       1.10174014       1.53524491      -0.32009619      -0.53451743      -1.17847900 
O       8.42583095       0.86852704       4.67386665      -2.79921709       4.60906984      -2.42350220 
O       0.79902257       9.15516768       6.43870158      -0.38053298      -0.58714695      -0.28885035 
O       5.93170545       0.38226456       3.75777628       0.31040071       0.09463270      -0.56090786 
O       6.08017761       8.83524891       9.08802251      -1.32419513      -0.91240174      -1.56274052 
O       0.20252798       1.65693646       5.98127003      -1.11516183       1.22075984       1.53941699 
O       3.86401135       3.64476466       8.64743651      -0.62960654       2.30165143       0.25881787 
O       0.37030190       9.58750107       8.84249142       3.67707027      -0.37616473      -0.49012564 
O       1.21903160       4.41774953       1.01612348       0.60231552      -2.47349856      -0.53995561 
O       3.19585155       8.79608942       6.72142849       1.16181323      -2.26831984      -0.74027089 
O       8.67347611       8.96475736       8.80679529      -1.84750629       1.95705799      -2.17340725 
O       0.87037945       6.81102890       9.15575808       1.20420587      -1.19753571      -4.09925005 
O       1.16801463       9.10897825       3.81842320      -0.29925860      -0.23598424       0.07235048 
O       3.80221116       5.99455938       6.35804224       0.54767017      -0.35937029       0.81035482 
O       3.14048379       8.63314680       1.75631638       2.13493922       1.19599217      -1.20018873 
O       3.62480646       8.73258093       3.91154036      -0.30362723      -0.68128355       1.01641725 
O       1.41067128       4.09941890       8.81276406      -2.12362136      -1.40190326       2.44177985 
O       9.20193181       3.93482786       0.88655266      -0.83004298      -0.40965909      -1.08081991 
O       4.56315404       0.63723030       7.35467734       2.47732113      -2.15386091      -0.23421177 
O       6.24989499       3.39963464       9.66998070       1.55637119      -0.59811672       0.05192833 
O       4.12614550       2.73283346       5.90143228       0.90525544       1.87758869       1.81245662 
O       1.47259696       3.85105943       6.33122574       0.74873818       0.28840644       0.13517561 
O       8.82108270       3.65435285       8.85943180       2.04858256       1.11294298      -0.07423389 
O       9.33350555       4.29264170       6.54312987       0.89860964      -1.49338919      -1.54642324 
O       6.33878767       3.92977876       6.85554144       0.64303366       1.50324881       0.20952200 
O       6.65073967       0.73227470       9.23063861      -0.91113333       2.03214314      -0.32843545 
O       6.70781563       0.97138718       1.26166577      -0.15529765       3.77283459      -0.28849340 
O       9.43942821       1.19414705       8.98556082      -1.99950372       2.67310446       0.59046093 
O       6.23304640       9.02194666       1.21822873      -0.86312539      -0.34487814      -0.28119742 
O       8.64428200       9.61155167       6.24775110      -2.26331436      -3.39198459       2.28129114 
O       0.94449302       6.30059808       6.51585663       0.54722056       1.03957763      -0.99747816 
O       8.18246271       6.95032450       7.21567658       1.60113763       4.11408444      -2.68683658 
O       8.69547449       6.45612979       9.44411110       2.83646044      -2.86665495      -0.28905312 
O       9.73746832       7.25634969       4.83059025      -0.22949385       0.71251008       0.82310998 
O       5.88898912       8.66478194       6.25733678       0.77777484      -0.56860291       0.30948479 
O       6.29380939       6.11946259       8.46774023      -2.04083377      -0.83565052      -0.45079474 
O       3.47369075       6.81863374       8.99215798       0.22303177      -1.64523062      -1.69796004 
O       6.76595621       6.24268472       0.34010210       1.80142736       1.28195726       2.68455925 
O       9.01842458       6.38320215       2.72957167      -1.29897757      -1.76507667      -0.68725552 
O       9.42691325       1.39582455       1.20827328      -2.72168557       1.28296389       1.36695731 
O       9.35996903       9.57637341       3.25401620      -1.10136225       0.95313281       1.09664385 
O       8.80274069       9.20990768       0.90153335       0.61412546      -0.02960410       1.51116067 
O       6.28578286       2.94119153       4.38736447       0.48830311       1.30485373       0.26449955 
O       6.14510562       5.63006863       2.76536796       0.25190150       3.10742208      -0.13055333 
O       6.92097884       8.33401925       3.65745587      -0.23301239      -0.47368997       0.33978721 
O       6.85994488       1.62891206       6.67138530       2.02709450      -1.33263187       0.21194849 
O       1.50167614       6.34640288       3.65097437      -0.90649710       1.29740733       0.55551889 
O       9.00506081       3.57466227       3.38347839      -0.12198265      -0.71188242       1.67995121 
O       4.12113752       6.38457615       0.82736232      -1.68516490       0.53079586       0.97625657 
O       3.21636729       9.17309492       9.47184778       0.98007805       2.37361804       0.56465348 
O       3.47265722       1.30570157       9.26635295       3.02581500      -2.03038986       2.10066796 
O       7.54314702       5.19930276       5.07868692      -0.29973044       2.66254258       0.27737891 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025037655960782827 -0.001053402083196844 -0.019735921120988063 -0.001053402083196844 -0.044219779611204275 -0.005803294711264333 -0.019735921120988063 -0.005803294711264333 -0.04024469183541341" pbc="T T T" energy=-924.28588141 free_energy=-924.28655885 config_type=crystal 
Hf      10.32611012      10.38168606      10.37336941       0.20356247      -0.63485611      -0.52020406 
Hf       5.06341537       2.54194462       2.66902334      -0.69442029      -3.41702572      -0.57073509 
Hf      10.17725512       2.79686881       7.85336414       0.48548148      -1.31748105      -1.34811507 
Hf      10.45423473       0.11584817       5.41649619       1.31995325      -1.96645506       0.43982365 
Hf       7.59647890       4.89030987       7.80820312       2.30848182      -0.02705289       0.29555109 
Hf       7.76374720       7.31879513       5.17878011       1.66561512      -0.55781836       1.98329438 
Hf       7.55939213       2.70209528       0.09922470       1.96796752       1.44715261       0.18087782 
Hf       7.82797523      10.01667451       2.46306035       4.17390870       0.66783938       0.34594221 
Hf       2.84405368       2.44882297       5.12611304       0.13214117      -4.82847596      -0.88889190 
Hf       5.09209757       2.80321384       7.86276289      -5.01317251      -8.15901427       3.47609773 
Hf       5.86236604       9.82717266       5.16165929      -2.57205458       1.09501246      -0.55135109 
Hf       2.27624203       2.36334248      10.05917513      -4.47032068       6.02954596       4.93302869 
Hf       2.45885723       0.08404945       2.54953534       0.16113371       1.69815739       1.66397141 
Hf      10.07828422       2.66622185       2.50850878       1.95437552      -1.43031621      -2.51745095 
Hf       2.35532003       0.03893405       7.82562254       0.74846403      -3.32604163      -0.71689885 
Hf       7.63363904       0.53603659       7.89637112      -0.10609804      -2.59835886       1.38771660 
Hf       2.04107646       5.11824078       6.95983702       0.79147535      -0.29610572       1.32523326 
Hf       5.23442523       4.94410540       5.26170988      -0.26405035       2.23917177       0.43504151 
Hf       9.97655024       4.90398657       4.90096875      -2.68928193       0.77936655      -1.01897498 
Hf       2.40405809       8.03937112       4.73102801       1.60600540       0.94413610       0.91958941 
Hf       4.73771372       4.41827493       0.29740461       1.00598699       8.81923851       1.17143532 
Hf       5.21569314       7.53687159       2.22595152      -1.16745378       0.99591180       1.21262027 
Hf       5.19824138       7.89467591       7.76342139      -1.29177374      -1.76185422      -0.05538160 
Hf       7.74126078       7.94526041      10.24145353       2.61012590       0.88339620      -5.01197875 
Hf       7.78040363       5.57047398       2.31299179       3.29045928      -4.30669165       1.05684469 
Hf       2.34448825       5.19645469       2.85380065      -2.73785293      -1.36221254      -2.61619909 
Hf       0.04524455       7.91256997       2.15389445       2.36738271      -0.72959667       5.21137165 
Hf      10.38287283       5.62152078      10.10507643       3.11881626      -2.47629978       0.39295963 
Hf       7.74802362       2.37765867       5.13318672      -1.66899270      -2.44179361      -4.00371753 
Hf      10.30871760       7.54109899       7.40914439       5.28975154       7.10930650       3.26907186 
Hf       5.05727852      10.30428527      10.43927465       1.30314196       3.49799572       0.97791282 
Hf       2.73030357       7.56354847      10.30050017       0.89301046      -0.89799946      -2.61965439 
O       1.26903701       9.38124262       1.11378265       0.41168357      -0.20794435       0.36551989 
O       1.46804144       6.80708230       1.34332505       0.78180169      -0.90861695      -5.84941727 
O       3.79611052       1.21249148       6.99914053      -0.87489198       1.07231082       1.31986901 
O       1.57287121       1.48556207       3.86720909      -1.78910952      -0.88153486       0.91818372 
O       3.74230776       3.07248698       1.41784879      -1.36522837      -0.83149755      -1.70674230 
O       0.30748042       1.68669124       9.27956213       0.72361236      -4.13105098       3.55404177 
O       3.27266226       3.64282915       3.61096219       2.32940576      -4.97652284       0.63710392 
O       6.09365263       3.85173680       1.40138273       4.56961523      -1.01164221       5.11372843 
O       3.67138607       0.63048776       4.48052789       1.34002116       0.54091077      -0.82178779 
O       0.78417145       3.87808954       3.49221582      -2.05508361       3.22714667       1.06632415 
O       1.39854618       1.49824490       1.48627764      -0.78061959      -0.56359846      -1.67063968 
O       1.41479705       6.82041499       3.42708026      -0.31980516      -0.03744556       3.50326538 
O       4.47149022       0.49006767       1.92756717      -0.82876093       0.24968513      -0.07904749 
O       9.24605386       1.14021661       6.78944519      -1.36540555      -3.36778740      -1.28012459 
O       1.27035041       9.06227555       6.32000849       0.89711625       1.76683269      -0.10523732 
O       6.96144609       0.76094999       3.62418780      -1.64593266       1.90506066       2.07894825 
O       6.06970178       8.92324653       9.29534181      -0.18255605       0.01605251      -1.17088626 
O       1.11295928       1.17413547       6.88382582      -0.25447988       0.98850615      -2.08888317 
O       4.06841352       3.39232746       9.56602412      -5.20898209      -6.54071556      -8.79191789 
O       0.99751290       9.40980331       8.94208370      -1.28441861       0.99642304       1.28912595 
O       1.02478342       3.97061149       0.90367599      -0.27195620       1.05004271      -0.99623131 
O       4.44736082       8.75463500       5.94491516      -2.85833524       2.72020006       0.29537349 
O       8.50586221       9.69418232       9.34215252       0.59023511       2.98720634      -0.97482627 
O       1.21519783       6.32056602       8.50714558       1.37562195      -1.46236747       0.69568979 
O       1.26068058       9.26978712       3.75525100      -0.36142662       1.30353428      -0.77842276 
O       3.41331198       5.51491960       4.48053197       1.02499480       4.25755486       3.14898348 
O       4.18474502       8.63484850       0.78295758      -0.43107402      -2.03185801      -0.39551078 
O       3.86004697       8.55134916       3.25538749       1.37401583      -1.63593974      -0.27615150 
O       1.38261234       3.53111638       8.63177133       2.75196205       3.30706448      -2.65898792 
O       8.69441374       3.75846015       1.48061114      -0.61552735       1.18971010      -0.88012545 
O       6.22040857       1.02753311       6.32340707       3.24783664       0.33085724      -0.09550020 
O       6.40509074       4.03634194       9.46477190       1.67129122      -0.37096474      -0.54217339 
O       3.79205403       3.69772772       6.51398077      -3.33371061       3.09189998       0.10348013 
O       0.88483296       3.71972851       5.84262909       0.76861877       1.77996967       2.93424084 
O       9.38054840       4.26927643       9.05423248      -1.50159078       1.67719152      -0.59806111 
O       8.62806483       3.22860678       6.48751384       1.04381023       4.39729018       1.11516917 
O       5.84751042       4.24521736       7.23589152       3.65105862       5.60616126      -5.20171184 
O       5.83648386       1.23067807       8.87875576       1.10330584      -1.67685441      -0.26832649 
O       6.38179476       1.43265867       0.70386367      -2.01566458      -2.58195117       2.03671220 
O       8.95614430       1.33494801       1.19957744       0.88487311      -2.32331460       0.22590116 
O       6.85743865       9.12444792       1.05367861      -3.99389688      -0.02781272       1.99154375 
O       9.04440148       8.66829492       6.54874404       0.29556020       1.76410917      -2.28107109 
O       1.46862305       6.79367615       5.91129270      -1.09981022      -4.57802418       2.75496227 
O       9.46531101       6.14635403       6.73478138      -1.89102072      -6.64135109      -3.00616946 
O       9.56270194       7.38637674       9.35473226      -0.15498827      -1.30068796      -0.94850059 
O       7.62485235       5.30987230       5.66032578      -1.71152511       0.65836423       0.12781817 
O       6.80890614       8.50760410       6.38322580      -1.02482998       4.36370756       1.68044996 
O       6.96236952       6.53939009       8.32183523      -0.45750215       2.76133013       1.44406402 
O       4.06185090       6.18413115       9.35254818      -0.43380637       1.04507671       0.93199626 
O       7.06201403       6.49343206       0.82486331      -5.21847064      -0.38770001       0.97056025 
O       9.33789330       6.25379711       1.08009782       0.10062082       0.73378036       2.89148636 
O       9.57728083       1.46031832       4.27599814      -2.47961262       2.28439800      -1.29640342 
O       9.13923760       9.11071082       3.63061185       1.62561275       2.30015920      -0.21453312 
O       9.30511818       8.73130364       1.06475887      -3.72787298       3.56066664      -2.93884938 
O       5.45864525       2.92197643       4.66051450       2.62006322       1.11733612      -0.10889050 
O       6.15974522       5.83210595       3.55248721      -0.43265485       1.67600977      -1.40298223 
O       6.95602334       8.52736963       3.82599477      -4.21623575       0.04674083      -2.28474456 
O       8.30642385       2.17774986       8.67532444      -1.11086856      -0.13710178       1.55658790 
O       9.24750740       6.78931488       3.77287294      -0.72859491      -3.54111297      -0.24893812 
O       8.31934647       4.02987969       3.77975666       2.00998801      -2.05208215       1.55161487 
O       3.72408130       5.60160046       1.54322696       2.30512207       4.14552734       0.28631847 
O       3.23559109       8.44637673       8.44527610       1.49292370       1.35791848       0.24289257 
O       3.18791441       0.79521392       9.90692751       2.19854182      -4.82416904      -1.90456164 
O       5.37009701       6.87657494       6.11918189       0.00291541      -6.91841125      -1.28637965 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.036277989283714306 -0.010876564221302112 0.007502268541403498 -0.010876564221302112 -0.03829450487759858 -0.0027623978795734035 0.007502268541403498 -0.0027623978795734035 -0.01273687741730403" pbc="T T T" energy=-928.07740451 free_energy=-928.07742169 config_type=crystal 
Hf       0.00685986      10.40610580      10.28051820       2.74757975       2.97415705      -1.87924648 
Hf       4.89473644       2.20459472       2.52394286       5.24877379       3.29724499      -2.43183443 
Hf      10.16430654       3.26813144       7.61257498      -0.65907748      -2.72517601       0.17105360 
Hf       0.00722942       0.27953933       5.62060823       2.97591715      -4.28667846      -0.59285517 
Hf       7.59587678       5.37497541       7.66305869      -1.47274568       2.65113313      -2.16584482 
Hf       8.02276691       7.87370489       5.16187563      -1.59428627       0.00537063      -0.79673119 
Hf       7.66971509       2.52946138      10.34278958      -0.07006273       0.73412667       0.68413234 
Hf       7.93079173      10.20034209       2.01827459       0.95883010       1.39621121       5.44642134 
Hf       2.53997195       2.33374386       4.90481539      -1.94731221       0.99298102       1.95788207 
Hf       4.99229911       2.24621335       7.54021690      -5.30253154      -1.38863934       4.20238617 
Hf       5.26212989      10.18647197       5.13874009      -2.78089934      -0.89788848      -2.36628244 
Hf       2.62196825       2.58399625      10.46421163      -0.54194344      -1.65611904      -1.86608004 
Hf       2.39063540       0.20403637       2.48059260       0.26388330      -4.44381157      -1.77533468 
Hf       9.92390745       2.24314581       2.75205757       3.33997720       0.42668557      -3.76542947 
Hf       2.68344158      10.09066071       8.24175645      -1.31507286       1.14811912      -4.75798018 
Hf       7.88542347       0.37426786       7.67146765       0.94690443      -0.99830676       3.37793724 
Hf       2.59514547       4.92102220       7.78882631       0.61225286       1.17707836       1.18564207 
Hf       4.60618257       5.20419738       4.92343738       4.02808522       1.27101911       1.93843677 
Hf      10.01314165       4.97601674       4.86447970      -0.09718724       1.41883602      -0.03420441 
Hf       2.03758180       7.66075550       5.22305172       0.24183290       1.45931717      -2.62085506 
Hf       5.20855634       5.22183512       0.02768927      -1.19213028      -4.70237954      -0.26261717 
Hf       5.25945494       7.72863791       2.28259616       0.00699295      -0.20868596       2.16102838 
Hf       4.84702972       7.90766572       7.28426158       4.16030383      -3.55110807       2.93447813 
Hf       8.07008450       7.93823602       9.71694526      -1.87631765       0.25241435       1.34917206 
Hf       7.42004933       5.07733353       2.57700608      -1.41479447       0.15884293      -1.01720782 
Hf       2.38493687       4.96944732       2.44375377       1.07507650       0.19262794       0.68410084 
Hf      10.29752013       7.84290820       2.37140449       0.59886892       2.43451435       1.30380147 
Hf      10.39134647       5.10090352       0.09423494       0.90273054       2.33553582      -2.09314886 
Hf       7.42101295       2.35908902       5.19978431      -0.34902674       1.86856708      -3.15873273 
Hf       0.46908451       7.58322943       8.29547234       7.03678271       4.20842387      -3.45045117 
Hf       5.17706857      10.28165431      10.32766613      -0.00143092      -1.35114933      -0.10362738 
Hf       2.66360980       7.50315661       0.08918867       0.31030278       0.27251618      -0.45201961 
O       1.58836705       9.20080450       1.43731581      -2.14776835      -0.04973334      -0.53376833 
O       0.84514534       6.83190237       1.10917250       4.08276989      -3.23027179      -1.39481984 
O       4.09472879       0.61944226       6.72994296       1.52374325       0.21572566      -2.79718650 
O       1.42501479       0.75142156       3.96672308      -1.69325583       2.89843866       3.09610835 
O       3.86750079       3.81570126       1.39453208       1.35137085      -1.84323208       0.81794660 
O       1.74947023       1.02800053       9.15655152      -3.00327895       0.59245303       2.66079976 
O       3.50028422       4.00216279       3.99891942      -2.90838764      -2.21559899      -2.52992041 
O       6.55332751       3.68185196       1.16058017       0.88507215       0.32558762      -0.28725344 
O       3.70484693       1.26022802       3.63017468       1.34478431       0.77221932       2.83237877 
O       1.16207590       3.32308904       3.49136785      -1.45710599      -1.24293483       0.30309578 
O       0.89711515       1.56442792       1.15727924       0.64681891      -1.57157996       0.88796945 
O       1.03333954       5.73577160       3.87364403       0.67786464       2.63080146      -1.38492705 
O       3.76575582       1.25523010       1.12757606      -1.61403878      -1.35794458       0.50855968 
O       9.40009937       1.61538649       6.41271181      -1.90183756       2.07895237       0.34401428 
O       0.50128074       9.20778158       7.04012690       3.03427189       1.03720941      -2.89494135 
O       6.67621001       0.81031393       3.31021185      -1.72007015       0.92488861       2.58604794 
O       6.98055287       9.71488143       9.19026221      -0.36510575      -0.26032609       0.28944833 
O       1.80474904       1.31361904       6.59117820      -2.41937608       0.51130956      -2.34971166 
O       3.83932054       3.39073345       9.09889155       0.21494837       0.43961567      -0.88421241 
O       1.61513687       8.93324708       9.46411473      -2.86379074      -0.71683302       0.28538032 
O       1.64434008       4.14602050       0.63737494      -1.57978350       1.74338879       2.99661435 
O       3.43593729       8.69553645       6.34233373      -2.52506080       0.68367555      -0.98270102 
O       9.42655415       8.90007028       8.66644606      -1.28735978       4.79930125       2.46030039 
O       1.58871652       5.97703425       9.31905058      -1.74965679       3.51854552       1.14671952 
O       0.86380657       8.93243145       3.91801203       0.80766808      -3.18807977       2.24750812 
O       3.55547102       6.57772809       3.96900105      -2.42599322       0.84542522       1.18856821 
O       4.05092691       8.75470407       1.10869137       0.35139787       1.92694696      -1.44982336 
O       3.61659960       9.23900089       3.87383566       1.23698433       1.01518172      -0.52503677 
O       1.02392719       3.89484248       8.84244600      -0.22426611      -1.83285156      -0.24677294 
O       9.44886244       3.61745531       0.85471448      -1.39059232      -0.20082928       1.14227804 
O       6.57318241       0.92487727       6.21446753       0.36862437      -0.59032794      -0.53251764 
O       6.46056149       4.72328135       8.93199271      -3.59270158      -1.44393487       2.28195037 
O       3.51876135       3.72281436       6.48850122       0.93977989      -2.30017007      -1.30695444 
O       1.01357789       4.34012811       6.28633380      -2.41252804      -1.38616046      -0.08552298 
O       8.60128089       4.09910900       8.86838417       4.11881684      -2.01017063      -0.38603856 
O       8.66526412       3.82506327       5.93337230       0.45347869       2.00051402       2.16400940 
O       6.19063160       3.06117909       6.52064899       3.59595478       5.78971596      -0.82870866 
O       6.54046423       1.68335420       8.74563783       1.39326672       0.96977477       1.07616289 
O       6.14286502       1.19730921       0.85917800       1.41445127       1.61443767       0.01778198 
O       8.83456997       1.26840506       1.11584721      -0.46616821       0.41122764      -1.00811909 
O       6.57751730       9.26090833       1.26818255      -3.46519311      -3.97653433      -1.35261339 
O       8.60410592       9.80120853       6.30798743       1.22957710      -3.25147725      -3.77086418 
O       1.60917563       6.61152931       7.00762296       1.73312075       0.50573162      -2.87504113 
O       9.72128915       6.78998441       5.67827647      -0.50452950      -0.41791562       1.28289370 
O       9.46444975       6.81216605       8.76787610      -8.18239895      -9.45065936       2.32959207 
O       6.56096532       6.42365976       6.15715420       2.53062694      -0.66845423      -2.58765321 
O       6.16250044       9.14442528       6.41082967       0.46321379      -2.09674636       0.64815977 
O       6.71692886       7.11770489       8.32910306       2.07145186       1.27681157       2.64102301 
O       3.89208359       6.03179257       9.51718862      -1.06424468       1.81273307      -3.79297568 
O       6.24274616       6.58211615       0.75539380       2.06670985       2.32473361       1.91994144 
O       9.12673698       6.75374393       1.03827132      -3.24935168      -2.41491418      -1.34645397 
O       9.50629833       0.63533612       3.67626971      -1.59584029       0.56502032       1.10859964 
O       8.83382153       8.64610814       3.39644109      -2.26110988       1.58545524       0.25906869 
O       9.21941256       9.23603948       0.82273971       1.30678025      -1.17189792      -0.17139018 
O       5.78374656       3.34808892       4.30175839       1.43227738      -0.41215529      -2.47868734 
O       5.66971009       5.88400407       3.19182154       1.76373966      -2.48504343      -0.64284579 
O       6.34738848       8.06620887       3.95823949      -0.31732958       2.39898946       0.01405545 
O       9.72082853       1.32505159       8.81461218      -2.49218282      -0.03385852       1.06831355 
O       8.47876700       6.24531090       3.64890917       1.08825242      -0.98212165       0.92352193 
O       8.54705875       3.49286316       3.43942441      -0.25486350       0.58105107       0.68081022 
O       3.46807522       6.24400723       1.27551014       1.36693251      -0.59315679       3.84583952 
O       4.02488020       8.64845111       9.02614235       0.79927956       0.38942768      -0.58382206 
O       3.90382897       0.79539938       9.07876672       4.98235810       0.70866735       2.20505258 
O       4.38551562       6.07433066       6.78093135      -3.00009733      -0.85449828       0.04456200 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.024375660718666255 -0.008036168299329611 -0.005621434892429559 -0.008036168299329611 -0.01629664970829663 0.0029421125291706667 -0.005621434892429559 0.0029421125291706667 -0.015057879204324987" pbc="T T T" energy=-926.00176223 free_energy=-926.00485417 config_type=crystal 
Hf      10.44378088      10.45830524      10.20392320      -0.07834080       0.70823158      -0.56670508 
Hf       4.92091733       2.27323247       2.61712418       2.47113102       3.06480906      -0.42552621 
Hf      10.23965471       3.17635752       7.46400601      -2.80390181      -3.14096013       2.34254961 
Hf       0.26010872       0.34216185       5.61770260      -9.10403754      -8.34550698      -1.78440813 
Hf       7.60090422       5.51908578       7.68712373      -0.79975000      -3.01983205       1.41750882 
Hf       7.94306596       7.77907066       5.26876734       2.02447511       1.49778700      -4.37983715 
Hf       7.66555383       2.48946176      10.29892134       1.58242132       4.22034773      -0.50939844 
Hf       7.85806200      10.22959250       2.13209838      -0.14044336      -0.62374146       1.45181677 
Hf       2.55207413       2.34136492       4.89803298      -1.33683660      -0.62674530      -1.27330417 
Hf       5.01511815       2.24664508       7.46197808      -1.57464143      -1.33609939       1.94605331 
Hf       5.40197800      10.13989581       5.08782402      -3.12738359      -1.43117189      -3.88425016 
Hf       2.61982404       2.53281182      10.38214176       0.58749430       0.63629150      -0.45126011 
Hf       2.36142915       0.16838923       2.43181853       0.26064803      -3.72945474      -0.60582529 
Hf       9.89892149       2.40699396       2.74241757      -1.43275597      -1.98940263      -0.70723239 
Hf       2.64430573       9.98645985       8.20329829      -0.62758909       1.34230604      -2.01184801 
Hf       7.85159567       0.38458785       7.65915459       4.19939902      -3.81464794       2.71077038 
Hf       2.61063231       5.00632905       7.79780348       0.11631765       1.71912657      -0.77277830 
Hf       4.76072586       5.07880738       4.87503706       0.77436626       0.26002131       0.44752244 
Hf      10.10348997       5.03121642       4.94187715      -2.16056278       0.56700911      -0.62135227 
Hf       1.95627973       7.63399112       5.19908475       3.24637639      -1.54689876       0.06013492 
Hf       5.24485888       5.14485162       0.10226828       0.24796759       1.09251361      -1.90257996 
Hf       5.26576846       7.75452930       2.29673087      -1.08856838      -0.28812718       1.94314236 
Hf       4.82906972       8.02710526       7.32039122       2.19832352      -5.59705323      -1.95004593 
Hf       7.93469541       8.05076662       9.80361460      -1.47088142       1.01078360       2.13956823 
Hf       7.37830929       5.03565608       2.40955546       5.64533101       0.80469841       0.34981583 
Hf       2.30814573       5.05984546       2.46692426       3.73886736       0.19452678      -0.14524701 
Hf      10.27537197       7.73661002       2.33246332      -0.84615566       0.14522395       1.03128960 
Hf      10.40655689       5.10948821       0.20305998      -4.52079933      -0.66137693      -2.97736343 
Hf       7.40779435       2.34696978       5.32915774       1.64340962       2.07774446      -4.51068457 
Hf       0.34752578       7.59504765       8.24028836      -3.81321279       1.29723110      -6.21118246 
Hf       5.21444389      10.31418504      10.41612782       1.97165196       0.84696233      -0.34780157 
Hf       2.79715611       7.38127342       0.04110778       0.04277171       2.24900017       0.17864426 
O       1.40385129       9.12091107       1.32845017       1.51293860      -0.02281112       3.27925996 
O       1.01311989       6.56565491       0.91595284      -0.17981925       1.45546283       2.05223503 
O       3.96044755       0.69208763       6.33842575       1.39320130       0.30602347       1.59375048 
O       1.27056193       0.69126048       4.01557418       0.91552289       1.43335076      -3.60074025 
O       4.22887146       3.95696053       1.22195407      -3.21737398      -3.25325379       1.26775815 
O       1.79413003       0.95182522       9.43922631       0.56441998      -0.90239480      -1.81129589 
O       3.49404500       3.71433297       3.56924098      -0.92103219       1.61994394       0.42773004 
O       6.55726615       3.75280243       1.17908797       0.88498980      -0.30236305      -0.84757353 
O       3.82335603       1.17375356       3.86262123      -0.70366918       1.53012478      -1.56781405 
O       0.71256653       3.37963520       3.74907490       2.61483473       0.63558008       0.01366924 
O       0.83769403       1.24125720       1.07428625       0.81462818       2.05371605       3.54551515 
O       0.96112622       6.10812372       3.35876131      -0.81048108       0.62793114       2.23500040 
O       3.69717625       1.23292265       1.14707773      -1.08589649       0.51938580       0.95830964 
O       9.03616186       1.72823462       6.43036201       1.31036732      -1.10741930      -0.59039199 
O       0.93513969       9.04559326       6.74454487       0.37907656       1.20257574       3.28125831 
O       6.33299055       1.12030697       3.61751947       1.30031905      -2.73404066      -0.50092495 
O       6.70188318       9.85416760       9.05282645       0.03053518      -1.64879788       0.67700890 
O       1.61362461       1.26145613       6.23221256       2.62707286       3.56979270       5.71429235 
O       3.96080842       3.44501452       9.20410533      -1.51142921      -0.40398241      -2.18750555 
O       1.20332403       8.80189816       9.52985733       1.45913998       1.74201100      -1.26457214 
O       1.53624056       4.22064105       0.87476855       0.66797484      -2.99915896       0.08844065 
O       3.16844769       8.57770200       6.36485081       3.59043491       1.33998063       3.10600127 
O       9.19165924       9.28042905       8.62518035       0.31002885      -2.48938043       2.59345423 
O       1.57673659       6.49385249       9.15418846       0.75670561      -3.48351564      -0.53238212 
O       0.64775155       8.68126882       4.53171274      -3.12912741       1.84011367      -4.80907374 
O       3.88983147       7.03261426       4.01950968      -2.18927697      -4.52532802       0.94922013 
O       4.12683260       9.13588988       1.02550716      -3.04931772      -2.66940462       1.45815328 
O       3.80255425       9.31687811       4.11326841      -1.25833602       1.44279765      -2.13143970 
O       1.16086496       3.93255167       8.74675625       0.66190226      -0.41283585       2.42888898 
O       9.10439625       3.69564777       1.10224723       2.27993574       0.13249360       0.18956061 
O       6.53166519       0.86465841       6.35159506      -1.38049628       1.95743229      -1.03484798 
O       6.27207015       4.54227062       9.03890589       1.73544242       0.13359561      -1.57623458 
O       3.54526051       3.30605896       6.15247602       2.11980829       2.82972176       3.27991631 
O       1.02694888       4.00812025       6.25489627       1.34683191       0.15993303      -1.84561910 
O       8.86326348       3.87828976       8.69340762      -0.03127178       0.83275112       1.83819322 
O       8.85472871       4.15049637       6.30416329      -0.97548953       0.87419226      -1.07516823 
O       6.11495428       3.34322193       6.36945061       0.52306756       2.60823664       2.07047182 
O       6.87406850       1.94274682       8.64240154      -0.85573321      -0.67681428      -2.43871416 
O       6.24728629       1.46334787       0.58576935      -2.49321622      -2.44535077       3.04836759 
O       8.70062333       0.97558444       0.58245062       0.74134604      -0.82954451       1.81280661 
O       6.41054436       9.01480034       1.05751186       3.75201841       2.60381777       1.31624239 
O       8.73712546       9.27074080       6.15491998       0.69441355       2.74209500       0.72913751 
O       1.33197602       6.35023142       6.65218045       3.72090113      -0.20266750       2.10023285 
O       9.83119325       6.63424086       5.98995896      -3.75514000       1.63150410       0.59155322 
O       8.89038726       6.41636953       8.98299639       5.39310445       0.82938151       0.51617422 
O       6.72436834       6.58834762       6.02508635      -2.06528880      -4.58436057       3.03390700 
O       6.35480452       8.96706369       6.42667832      -1.91776322       0.29306254       1.13344691 
O       6.80846133       7.02568103       8.75427758      -3.80749397       1.37238670      -2.69555672 
O       4.00489457       6.30245374       9.27244501      -0.35200361      -2.39515450       1.18122840 
O       6.44913303       6.80218935       0.79962427      -1.86740523      -3.14638021       1.37962597 
O       8.75678057       6.48431516       1.33071464       3.31275369      -0.24725209      -0.49642929 
O       9.09011868       0.74341000       4.02618355       0.33667591       2.25949250      -2.69223712 
O       8.23522659       8.72093226       3.22229169       1.54588886      -1.18960098       1.02623296 
O       9.53391402       9.19269947       1.28138513      -1.93047237       1.37233255      -2.81848562 
O       6.06078918       3.37747885       4.16757375      -1.62965334      -0.05818379      -1.65881865 
O       5.75538934       5.32918683       3.20372412      -2.48892687       4.25204156      -0.24021858 
O       5.96289012       8.21866351       4.10515930       1.87535096       1.08986716      -0.82434376 
O       9.73588405       1.18451166       8.66320280       0.00307578       0.66468250       0.25615351 
O       8.47264585       5.95988413       3.94949446       0.87094824       1.10545222      -0.01691467 
O       8.61741118       3.56367590       3.67395647      -0.22177340      -1.01877182       0.00549840 
O       3.71934220       6.29892066       1.51753777      -0.86021106       1.40536137      -0.45992490 
O       3.84015962       8.47514476       8.88661252      -1.33620248       4.07426229       1.94564617 
O       4.31761290       0.76806439       8.99742949      -2.06569901       0.32914764      -2.51717051 
O       4.14366612       6.05917393       6.75090539       0.20267141      -0.77894146      -1.06069106 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016208571990666762 -0.015390512625061019 -0.0019181492789886554 -0.015390512625061019 -0.035077649935958924 -0.0025502624660443435 -0.0019181492789886554 -0.0025502624660443435 -0.026912623152914254" pbc="T T T" energy=-932.01794698 free_energy=-932.0179577 config_type=crystal 
Hf      10.36576164       0.20145572      10.08852675      -0.55695946      -3.70681334       0.46362522 
Hf       5.04631946       2.60890318       2.55327272      -1.51931100      -3.08687009      -1.33319246 
Hf      10.32406660       2.69025999       7.36752251       0.92009313       3.17492119       1.73990923 
Hf       0.27929672      10.39181714       5.53238277       0.63996410       1.09612250      -2.81655943 
Hf       7.51391576       5.55663997       7.81564165      -0.05458156      -0.69480038      -1.51619252 
Hf       7.83329750       7.67541467       5.24506747      -3.49356836       2.62361421      -0.02257120 
Hf       7.80142280       2.68264583      10.03849591      -0.18098719      -1.81266994       2.12810375 
Hf       7.83248616      10.28368517       2.55025468      -2.77623100       6.07469781      -4.04873046 
Hf       2.52813625       2.51619589       5.00480444       3.04201451      -0.92313899      -0.81491631 
Hf       4.91280152       2.21628389       7.36329552       2.19126732      -1.38946851       0.03862105 
Hf       5.24951937      10.05241784       4.84888559      -2.72196301       0.67284600       3.99088700 
Hf       2.60315829       2.56601563      10.13988011       0.45257654       1.97837571      -0.15805424 
Hf       2.34001458      10.24478178       2.29560743       3.34832787       3.37671020       0.74498324 
Hf      10.03891686       2.70891945       2.70032178       2.36289822      -2.30103641      -0.62026956 
Hf       2.47319425      10.07372284       7.93577238       2.40074999      -1.98423688      -0.03656920 
Hf       8.04198045       0.06171269       7.80353624      -5.07045017       2.23519503      -1.69972233 
Hf       2.73083714       5.16234441       7.80474875      -4.52893225      -3.39672632       1.63531468 
Hf       5.19307861       4.86082250       5.00888699      -1.16027712       0.89497296      -0.04415801 
Hf      10.24261905       5.14944262       5.08993850       0.21729498      -1.10081352       0.07610487 
Hf       2.00458888       7.66565379       4.96426110       2.95090079       2.34384948       1.61231344 
Hf       5.29075233       4.88752900       0.05889059      -1.15690511       1.38244680       1.34538876 
Hf       5.17267842       7.76221317       2.51824632      -2.84839156      -2.98541114       0.09260246 
Hf       5.16179650       7.70157535       7.51263271       0.02225201       5.80115395      -0.69288201 
Hf       7.40606146       8.31940707      10.23884671       3.61129058      -2.21483024      -0.52959621 
Hf       7.67719696       5.05281636       2.25144624      -4.80970531       1.10590597       4.05189253 
Hf       2.25359474       5.31687010       2.58485133       0.30710763      -1.63100657      -0.01351113 
Hf      10.10896327       7.73782943       2.40372966       1.22363994      -0.06340674       0.22613114 
Hf      10.27703139       4.93264889       0.17412198       2.38683701       2.26252405      -0.75653737 
Hf       7.58310163       2.62902498       5.17318676      -0.17308411      -2.51902163      -1.94063802 
Hf      10.28392757       7.69526026       7.76007262      -0.09140163       2.46936858       7.73134863 
Hf       5.15327335      10.41719244       0.11118883      -2.44503854       0.70419760       0.51385107 
Hf       2.97383833       7.33471955      10.36476682      -1.79980208       0.13767661      -1.50342094 
O       1.66811991       8.51206103       2.28056551      -2.96603869      -2.25581003      -0.78654511 
O       1.27736894       6.28817229       0.94699580       1.34792891       0.42069025       0.65556996 
O       3.56624294       1.21829854       6.21067573       0.08039811      -1.80310317       0.45479478 
O       1.19067039       1.28942098       4.12368468      -0.92637608      -0.88445626      -0.63174774 
O       4.08758613       3.36628378       0.78011088       0.43813382       0.61107239      -0.26278000 
O       1.72618346       0.90177763       9.65401754      -1.03137891       0.16588006      -1.76025361 
O       3.82808309       3.92733804       3.53498972      -2.31663104       0.08325237       0.31372767 
O       6.39404262       3.61868122       1.32750308       1.32279447       1.93896888      -1.79596795 
O       3.77906778       1.28058374       3.61362866      -0.64191425       0.73526838       0.00599263 
O       0.61076149       4.03704538       3.61540279       4.05712853       0.84211952       2.05222621 
O       0.27389041       0.69591407       1.42798269       2.16887163       0.73281492       2.80608756 
O       0.81471475       6.38966345       3.71146387       0.77979637       0.48301010      -0.13895015 
O       3.50726779       0.78124416       0.85968728      -2.77640556       1.58996804       1.07188446 
O       9.51098645       2.24687377       5.61634608       1.62792601      -1.50674555       3.03410275 
O       1.13198065       8.79209415       6.67073231       0.88254235       1.92500925       0.99758396 
O       6.32321240       0.56809822       3.67307469       1.97468277      -0.43255902      -0.62376438 
O       6.59809040       9.83708561       9.19257712      -0.32834934      -0.72438250       0.43562233 
O       1.23331063       0.80125909       6.91394555      -0.34605560       3.46374248       1.70192305 
O       3.53663793       3.32938708       8.39510449       0.78072701       0.20825489       1.47196657 
O       1.24797975       9.06652347       9.13655532      -1.59571470       0.14594385       1.18833771 
O       1.46551636       3.70294847       1.37899930      -0.92175042      -0.61502692      -0.62425289 
O       3.54194356       8.77483571       6.35534374       0.45341672      -0.29675485       1.19057531 
O       8.98246774       9.24719949       8.76743683       1.76806332      -1.47131909       2.10602213 
O       1.84432435       6.68219720       8.71892024      -1.48963707       0.76951943      -0.39009638 
O       0.41464112       8.73646620       4.57709209      -1.23612639      -0.79930190      -4.19123531 
O       3.23875596       6.12116188       4.36523202      -0.00953687       0.50518736       0.26395295 
O       3.86054024       8.99343234       1.14472210      -0.39148519      -2.33716060       0.45081469 
O       3.48396050       9.17630302       3.96263048      -0.34606120      -0.78006459      -1.86258576 
O       1.27754174       3.94493120       9.19646678       0.77272955       0.26151129       0.42564380 
O       8.75505532       3.63129739       1.55481534       2.18521749      -1.06831543      -2.85924378 
O       6.57189099       1.07620680       6.03419477      -0.69758879       0.65151392       0.80136095 
O       6.89141633       4.50053738       9.38907103       0.28747164      -1.16494343      -0.41905811 
O       4.09020164       3.43808945       6.04476302      -0.86049352       3.14032631      -1.69263430 
O       1.32441064       3.95924477       6.54750275      -0.04407719      -1.07857013      -2.17233447 
O       9.57996981       3.43599768       9.61701848      -2.41354773      -0.86699982      -0.91336683 
O       9.11840274       4.51945336       7.23824788       0.67766696      -0.35401033      -1.10400579 
O       6.55528856       3.61336889       6.46438490      -0.90034507       3.99105117       1.09472048 
O       6.92311520       1.96230491       8.42457773       0.88872631      -0.47366927       0.96492469 
O       5.91918139       1.07743961       1.55257924       0.46016734      -0.38462597      -2.77857868 
O       8.32812249       0.88120684       0.64840045       0.27702365       0.39424050      -1.71663679 
O       6.20718348       8.92297587       1.42338918       3.34634344       1.92710297      -1.94056709 
O       9.04805544      10.01598374       6.17399296      -2.50802677      -1.39224354       0.03287367 
O       0.38448402       6.57751657       6.45759443       1.48500428      -3.61446309      -4.44901238 
O       8.03325677       7.50527120       7.26221045       4.31676103      -1.46897602      -1.81987728 
O       9.60487245       6.82234904       9.68936598      -0.48233929      -2.64606229      -1.64431806 
O       6.09425768       6.71783461       5.97603253       2.08582070      -3.75126260      -0.57370793 
O       6.34836760       9.13169430       6.41061563       0.04843210       0.23676768       0.47248515 
O       6.48074859       6.91789602       8.88214691      -1.16687132       0.95035035       0.20413975 
O       3.82712606       5.74192415       9.41969303       1.61070361      -0.39764552       3.45748034 
O       6.85121837       6.57405885       0.67880612      -1.16710104      -2.57217714       3.38244359 
O       9.26782931       5.91785783       1.83788283       2.93541995       2.28975435      -1.32637397 
O       8.61030997       1.60764066       3.20543692      -1.33420482      -2.68643591       1.90618548 
O       8.57122499       8.75793782       3.26793426       1.12450222      -2.63718182       3.47074900 
O       9.11943021       8.73027272       0.91243588       0.05771072       0.58360036       0.02870712 
O       6.32971337       3.45373527       3.77009102       0.70831314       0.37715831       1.98659380 
O       5.98563590       5.90073042       3.56024057       1.29163223       1.13702302      -2.91248285 
O       6.06238465       8.38411310       4.08097788       1.52083430       0.23549169       0.09669838 
O       9.62267829       1.24134930       8.59235008      -1.48416785       0.22506203      -1.43044017 
O       8.83024785       6.31602871       4.24946779      -0.87839822       1.66557463       1.04056715 
O       8.85968330       3.99338353       4.24819405      -2.02664760      -0.08378673      -1.82403180 
O       4.10019623       5.99396867       1.54781419      -0.71889433       2.05913024      -0.29850286 
O       4.02495388       8.62588640       8.99992369      -0.57385246      -0.06677354       1.17685814 
O       4.39483169       1.01227150       8.87934082      -0.93795006      -1.16057595       0.42258028 
O       4.16337639       6.15945049       7.25713330       0.93737866      -1.43469763      -4.03590802 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.026475450620930697 -0.0006819033968018316 -0.01853243505399177 -0.0006819033968018316 -0.0331170930290484 -0.00158148457985538 -0.01853243505399177 -0.00158148457985538 -0.03790032681894943" pbc="T T T" energy=-926.56016858 free_energy=-926.56024466 config_type=crystal 
Hf      10.32277821       0.18613121      10.10700619      -0.29924360      -2.62547828       1.81593447 
Hf       5.03969833       2.64732136       2.46575854      -0.70918152      -5.46299077      -0.32414672 
Hf      10.36610859       2.61240214       7.42516542       4.07506597       5.48748160       2.24606371 
Hf       0.19722403      10.28338699       5.49763498      -0.28702450       2.46827243      -2.75604826 
Hf       7.49521810       5.51941263       7.78954000      -1.77690978      -1.25091170       0.17998577 
Hf       7.78261022       7.73948100       5.21059432      -2.85423862       2.74586114      -4.32604906 
Hf       7.84439639       2.73309752      10.01320350       1.02136142      -6.05774213       1.60277879 
Hf       7.83880492      10.33137954       2.55863591       0.30445409       1.28481682      -1.90771079 
Hf       2.57730855       2.59293899       5.05355590       0.03135358      -0.30761405      -2.24153488 
Hf       4.91703039       2.17879553       7.32192159       2.07979783       1.04012348       1.90794860 
Hf       5.09279944      10.05432604       4.90465222       0.88308023       0.00943631       0.46035681 
Hf       2.58626375       2.62987117      10.09194596      -0.12108260       0.22670942       0.46984833 
Hf       2.37371595      10.18602506       2.28552199      -1.32853829       0.64671360      -0.14723917 
Hf      10.16563816       2.75479720       2.68975311       0.77369228      -2.68397596       1.86795885 
Hf       2.46362050      10.11737202       7.87764060       2.41323420      -3.03530400       2.59832118 
Hf       8.01613459      10.44288131       7.82378300      -5.40655758       2.28611796      -1.55814547 
Hf       2.69699175       5.12408553       7.81858318      -2.76146079      -1.15990908       2.77031451 
Hf       5.25428170       4.86964519       5.08207849      -1.75453397       0.11461094      -1.41410660 
Hf      10.26591482       5.13211603       5.11174410      -1.31547976      -5.89304505      -3.39278084 
Hf       2.06598497       7.72170060       4.89663532       3.61607372      -0.12587097       2.48785059 
Hf       5.30200402       4.86818254       0.03206938       0.43927442       0.77012949       2.63497171 
Hf       5.13076192       7.70534151       2.57484523      -0.73391377      -3.13574225      -1.09363473 
Hf       5.28670306       7.67193340       7.54630519      -2.28598953       0.22310190      -1.45008699 
Hf       7.35892327       8.32543759      10.32534159       2.94493527      -3.98876151       1.21691386 
Hf       7.73175977       5.10349495       2.33449010       0.02995992       0.71743210      -1.15320939 
Hf       2.21756024       5.33644410       2.64878527       1.06266240      -0.28746555      -2.29933096 
Hf      10.06651058       7.79656365       2.45638522      -0.83116351       3.51264284      -2.31287452 
Hf      10.30074937       4.88245666       0.12169543       2.47401675       1.44387021      -0.86537082 
Hf       7.66405068       2.68247597       5.06812391       1.53604194      -3.12716900       1.72576315 
Hf      10.16661947       7.74264640       7.75733948       3.33099170      -1.07920842       4.08193374 
Hf       5.04894554      10.45058370       0.14304972      -5.68791028      -2.97099339      -4.92183929 
Hf       2.93112179       7.36411963      10.31257701      -1.96728129      -0.83855850      -0.31217027 
O       1.54842531       8.32259874       2.07746021       0.08134765       3.09001830      -0.53752035 
O       1.45936517       6.23485904       0.93294796       0.94030103      -1.52062753      -0.14969525 
O       3.37112576       1.32329578       6.29976968       1.66969804      -2.45074204       0.34736937 
O       1.08834905       1.21135014       3.89783215      -0.08040084       0.00547797       1.47243955 
O       4.02412485       3.17833051       0.85556664       0.66150229       1.36006299      -1.73649259 
O       1.51356177       1.00538359       9.54513955      -0.36918028       1.98506210      -2.07835201 
O       3.87857465       3.91365819       3.26427141      -2.86133651       1.82690840       3.30856739 
O       6.29260337       3.64763711       1.37450386       3.14008183       1.60036807      -0.33833143 
O       3.68545317       1.18862153       3.58998290       0.78064926      -0.44679830       0.72524491 
O       0.98636975       3.99818448       3.78775818       1.13419355       0.43086069      -0.02476715 
O       0.38691239       0.38702657       1.55401688       0.86792427       0.50246291       0.20262165 
O       0.79056473       6.72906139       3.39289368       4.80612410      -7.10691626       5.72804269 
O       3.18430681       0.71362162       0.79454388      -0.12525576       1.40770985       0.84024519 
O       9.86835831       2.57373424       5.62254155      -1.90493175      -1.02788122      -0.11640451 
O       1.46932166       8.65342988       6.78016439      -3.79909598       0.54505253      -0.90321882 
O       6.44707360       0.65730007       3.58978404      -2.45630427      -2.24142019       1.36425338 
O       6.62365859       9.90108737       9.35782963      -0.35484164      -0.91920974      -0.91380560 
O       1.22364259       0.71186937       6.85954026      -2.48561895       2.82131750       0.71401628 
O       3.54960336       3.43351855       8.54642994       2.51535491      -0.34994521      -1.14079735 
O       1.32970559       9.10310849       9.27329863      -1.65274565       0.92193583       0.00045690 
O       1.46960247       3.71594717       1.20164849      -2.07459785      -0.94013227       1.69197592 
O       3.70100678       8.58589002       6.50449504       0.34578405       2.20027389      -2.40350370 
O       9.06150932       9.24127353       8.84476719       1.31987515      -1.16630867      -0.06482050 
O       1.98096164       6.88906080       8.71734633      -2.91860663      -2.27676846      -2.96569329 
O       0.61234083       8.82151307       4.43632777      -0.89022856       1.14313731      -2.16233038 
O       3.42470632       6.32256151       4.38208689      -0.33321123      -2.26675218      -1.12011367 
O       3.59337573       8.93266966       0.93963283       3.55787693      -0.33254643       2.03470879 
O       3.55957053       8.78066213       3.99239426       1.07626060       2.28693049      -2.45246509 
O       1.35621313       4.10481392       9.13437124      -1.21702675      -0.04747001       0.79512903 
O       8.78609514       3.48310165       1.44107172       1.68279144       0.53620293      -1.60119889 
O       6.46534852       1.27816259       5.93665942      -1.26462875      -0.35832095       1.23834913 
O       6.98228387       4.26912248       9.53933949      -1.22832787       4.48145699      -3.26695417 
O       4.10407511       3.60534351       6.11135882      -1.45605329       0.02708114      -2.43428010 
O       1.51534814       3.78923800       6.51687195      -0.17368180       0.24107074      -1.34854201 
O       9.56290257       3.36802630       9.37070578      -0.12592901       1.01905252       1.94407257 
O       9.10191890       4.60542377       7.48811375       1.36121189      -0.63782959      -3.03087759 
O       6.40029523       3.94780312       6.71656914       1.66767201       0.12873340      -1.07291973 
O       6.73399421       1.81426061       8.48387357       1.32658352      -0.15271555       0.38475151 
O       5.92126196       0.93014176       1.28433346       2.82284391       4.51454694       3.42467433 
O       8.45636431       0.74464187       0.51613092       0.16225166       0.78570715       0.22205330 
O       6.40772885       8.91038692       1.55744759      -0.74932791       1.08110839      -1.03040465 
O       8.82411497       9.79447070       5.91625839      -0.21182437       0.40122350       2.30360632 
O       0.03369677       6.52369079       6.16233790       3.57314245       4.94983354       4.62832021 
O       8.23837492       7.52341279       6.97952907       1.63371378      -2.30576873       5.29869565 
O       9.49816818       6.49728425       9.72910269      -0.05053932       0.16923757      -3.66500671 
O       6.05116394       6.29992301       6.03341012       5.09627195       3.05068768       0.26971840 
O       6.23493335       9.12209271       6.57040081       1.18014274       1.83694301      -1.14422888 
O       6.39485929       6.85474496       9.10712416       0.85138693      -0.08634243      -1.69559200 
O       3.78926678       5.60646138       9.70839803      -1.73349331       0.93484965      -1.57256927 
O       6.93659378       6.50792618       0.93789596      -0.22596927      -1.19578602       0.69375795 
O       9.48191543       6.06133855       1.78047520      -1.37558946      -2.93489171      -0.00042142 
O       8.61293835       1.57512741       3.49004293       1.66523859      -0.70745441      -0.54744639 
O       8.76106407       8.82278346       3.63515858      -1.36326997       1.33342775      -1.12818087 
O       9.07974207       8.54989456       0.81790653      -0.00688558       1.40861749       0.66053370 
O       6.34485127       3.19401013       3.88536104      -1.67094971       3.21014532       0.51944088 
O       6.32533850       5.94697658       3.31469818      -1.94498913       0.46091046       2.76676305 
O       6.20192536       8.42877844       4.03206556      -0.95517927       1.40674059       1.39390501 
O       9.37662975       1.41760754       8.44628672      -2.43893308      -5.78582751       0.32048522 
O       8.94326366       6.44808599       4.45393160      -1.06286324      -1.27028133      -1.26019630 
O       8.83269998       3.95274212       3.98222625       0.49545442       2.38330276      -1.26293737 
O       4.43921612       5.92383278       1.57070774      -1.83962394       2.57311393       1.25698270 
O       4.02921708       8.33757828       8.76550247      -0.78212920       2.22837289       4.18181373 
O       4.19503675       1.21608484       8.94717938      -0.42379193      -2.72187487       0.15410928 
O       4.19547340       5.97771864       7.18990481       1.30331388       0.95561439      -1.28914908 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0355717771499765 0.016720886987243198 0.014581257463571647 0.016720886987243198 -0.03925057108784895 -0.025871103311508263 0.014581257463571647 -0.025871103311508263 -0.012608836409005227" pbc="T T T" energy=-925.8886334 free_energy=-925.90179825 config_type=crystal 
Hf      10.18668391      10.28839768      10.37097454       1.21224892       1.57361558      -0.58890168 
Hf       5.11710059       2.56888556       2.32241796       3.49518166      -6.60554565      -3.71579532 
Hf      10.39086848       2.39473145       7.87100063      -0.35559903       3.06414594       4.60463316 
Hf       9.95009682       0.16616788       4.80230566       3.16969879      -3.03480603      -0.19025029 
Hf       7.60523346       5.10518022       7.91087664       0.89043494       4.69092387      -0.32741275 
Hf       7.68542015       8.04211327       5.52086409       1.04713720       3.20898037      -5.26094199 
Hf       7.65230048       2.45589896      10.11228116       3.38169008      -0.16828457       2.17854957 
Hf       7.43585235      10.41470316       2.13112785       3.41710176       3.86875919       1.33744448 
Hf       2.87677417       2.49622617       5.03953098       2.71045656      -2.93825079      -1.68479304 
Hf       5.37444111       2.90962443       7.78317749      -0.27247577      -1.55402801      -2.53654294 
Hf       5.18000193       0.05198080       5.02695103      -0.39324252       0.47811427       2.61464696 
Hf       2.36938451       2.34564633      10.07701645      -0.20927416      -2.61246744       0.36654201 
Hf       2.42537690      10.03430357       2.56258648      -0.72338301       1.01642981      -1.16648655 
Hf       0.32862738       2.53080859       2.60578405      -1.71275229      -3.70601305      -4.53726011 
Hf       2.21403376      10.12864621       7.16515843      -1.30789198      -2.23336315       2.76460840 
Hf       7.63575897      10.20010000       7.92888908      -1.59495557      -3.48380010      -1.17800742 
Hf       2.85243177       5.16740209       7.95726001      -2.86854305       1.73309848      -1.28980155 
Hf       5.51301664       4.86173358       4.95027470      -3.70298482       1.28596726       2.46774956 
Hf       0.41323185       4.73484964       5.06668941      -0.16190899       2.63598180      -0.01579446 
Hf       2.03203952       7.75912386       4.86061516       0.96005299       2.35992216       5.59117006 
Hf       5.38237041       5.23074730       0.03586798       1.90549878       1.20267332       3.84949186 
Hf       5.20792272       7.76270131       2.79674039      -0.76867539      -1.80142368       1.69478813 
Hf       4.93807561       7.99274064       8.22217974       7.05342210      -2.84610376      -3.54521555 
Hf       7.59792994       7.78181626       0.28478342       3.11816551       2.25105346      -2.32446008 
Hf       7.76025138       5.18890731       2.84188655      -0.73734282       0.06347719      -2.78372724 
Hf       2.96051947       4.88078165       1.98411438      -2.47759560      -0.03879905       2.68029699 
Hf      10.34601924       7.39829157       2.43316208      -1.93886409       0.46149382       3.00274738 
Hf      10.31795915       5.07809547       0.00372513      -0.49074718      -1.67427995      -3.45133367 
Hf       7.72887539       2.41735456       5.21945375       0.82999992       0.65733060      -2.53371206 
Hf      10.18088375       7.64797156       7.70796068      -0.21829641      -1.30420716       0.81681742 
Hf       4.87341229       0.03877989       9.94701295      -5.93369662       5.02957662       5.93815519 
Hf       2.24335556       7.75687980      10.39717510       0.29773237      -0.24912839      -2.01059438 
O       1.11115323       8.49207436       1.22608131      -1.33563953       1.99979810      -1.10592049 
O       1.46117404       5.98437085       0.73866986       1.88497583      -0.01903120       1.97754514 
O       3.27393014       1.09155056       6.58456524       0.15305291       2.56217840      -3.63271488 
O       1.08338389       0.97136206       3.55941144       0.75103720       0.56336704       2.03257161 
O       3.82156830       3.66880521       0.63003635       0.67847148       2.40882020       0.86716070 
O       0.90576808       1.07667348       9.10106768       1.18014259       1.90588336      -0.71574624 
O       4.27146764       3.73088433       3.37076876      -4.67062854       3.23900112       3.75028851 
O       6.20899109       4.22054256       1.72858943       0.07926427       0.07101824      -1.92455532 
O       3.87892171       1.19603442       3.59852175      -0.70813026      -2.27133745       2.45097007 
O       1.57181716       3.74135283       3.37066462       1.53986021       1.78132004       3.30343048 
O       1.05129127       0.97725610       1.02576714       1.07443861      -2.09098692       1.31689836 
O       1.50080745       6.71285259       3.48008780      -0.54203909      -5.21815871      -4.01281468 
O       3.89654637       1.27472193       1.23618486      -0.37108471      -0.60322604      -1.68975175 
O       9.70175032       3.44992578       5.94875908      -0.39234696       0.68744570      -0.53415614 
O       0.79024017       9.30369541       5.90915686       1.38238381      -0.86582591       1.10323796 
O       6.44181778       1.36316331       3.56073406      -0.95411331      -1.52627119       0.26017986 
O       6.23813601       9.39740924       9.58935767       4.82260590      -5.05009916      -2.79658212 
O       0.15438985       1.22379487       6.55760169       1.16413912      -3.71038407      -5.60637638 
O       3.72596207       3.35384094       8.63843380      -1.05249085       1.27085969      -0.67589894 
O       0.61763600       9.09469408       8.78250052       2.07154542      -0.87651754       0.68303022 
O       1.14796788       3.31260201       0.94947325      -0.43388016       2.90478872       0.89155568 
O       3.34017501       8.97507933       6.03342582       1.14467917       0.79470092      -0.09627629 
O       8.73494849       8.68213783       8.82490234      -2.15105682       1.23638245       0.81850059 
O       1.01692299       6.32757942       8.81376379       2.28651299       0.67860411       0.21099564 
O       0.72786696       8.93313551       3.57283256       1.47046697       2.85519646      -0.39425555 
O       4.23614693       6.05331935       3.93984933      -0.27222978       0.69074911       1.41972740 
O       3.42258074       9.01280957       1.15760568       1.46997227      -0.51774968      -2.69433215 
O       3.53935349       8.58815397       3.60477070       0.02994239       1.65035325      -0.66363762 
O       1.13081723       3.75132199       9.13976960       0.45380139       0.37299002      -2.65122862 
O       8.69274752       3.87754331       0.78002569       0.38215870      -0.04378948      -0.33480328 
O       6.58468340       1.19154505       6.23619400       0.78050343       0.17050707       0.19742505 
O       6.27194319       3.97021356       9.29751187       1.94607052      -0.00823741      -0.13759817 
O       4.58916830       3.06299330       5.89326729       0.55105558       0.93592896      -0.86372427 
O       2.10612839       3.77977571       6.09802352      -3.04694037       3.10970630       2.30385786 
O       8.78608980       3.48207209       8.46834371      -0.87332872      -0.02278439       1.30848407 
O       8.14549535       6.52778820       6.33825798       3.94928311      -6.29949542       3.14856204 
O       7.10036292       3.74911603       6.60272106       0.08279344      -2.58327100      -1.56101989 
O       5.90394815       1.49943543       9.17877273       2.43785128       1.58404438      -3.06750841 
O       6.59006355       1.38758012       0.89593215      -1.57379564      -0.29822776       1.74211923 
O       8.95805930       1.13579830       0.89898535      -0.67169978       0.01242727      -0.89281857 
O       6.10020028       9.21976057       1.47743025      -0.52625102      -2.11298431       0.68452509 
O       8.93014668       9.55430804       6.34743202      -2.40542464      -0.29305762       1.47199742 
O       0.62312259       6.41845220       6.10772998      -4.46599427      -0.51076258      -1.46119985 
O       6.46965024       7.86458328       6.96354655      -1.63764731      -0.15791004       1.28672737 
O       9.08456311       6.28884433       8.87802773      -0.06240942      -2.08999520      -0.31871364 
O       5.66615085       5.42037988       7.09118688      -2.09429859      -0.44680265      -0.37172497 
O       5.58207827       9.82743536       7.19286455      -1.53582534       1.92585894       0.40511320 
O       6.51878224       6.82725601       9.47821992      -1.33075040      -2.18823943      -0.87237832 
O       4.25923956       6.09191775       9.23309754      -4.54086773       1.22436978      -1.51339689 
O       6.72984258       6.70911093       1.57225852      -1.08233526      -1.74977369       2.13019100 
O       9.17661983       6.39813406       0.91163135      -0.42792947       1.87509108       1.31937742 
O       9.10384887       2.17378651       3.52827502      -0.33606657       0.27983971       2.26344598 
O       8.31650124      10.14531343       3.95084942       0.38367781       1.48824739      -0.63303495 
O       9.05235788       9.10811227       1.17083632      -1.81619244      -0.80341368       0.67057807 
O       6.76048186       3.65975415       3.97281211       2.10608713       0.98414435       0.31167895 
O       6.63013507       6.23447514       4.09639292       1.64644720       1.90459809      -0.23363111 
O       6.26128190       9.05481294       4.32807324      -2.62070644      -0.90912186      -1.32319799 
O       9.07921122       0.85629623       8.64988895      -2.21045407       1.66095681       1.09504326 
O       9.05133314       7.83270156       3.91808309      -0.35339155      -0.96392351      -1.18079301 
O       9.64250315       5.50518991       3.33859576       1.06628758      -2.78897182       1.06559520 
O       4.19960629       6.30623361       1.67539591      -0.06813016       0.64288225      -3.56342195 
O       3.25586872       8.61378988       8.60237167      -3.49271103       1.92522230       2.42060239 
O       3.40805533       0.84432008       9.01908688      -1.19849231      -0.69182565      -0.24346018 
O       2.58337790       6.44091424       6.48158045       4.88813072      -1.04736983       2.12447247 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04044231801213411 0.017126671750021333 0.01659108665980105 0.017126671750021333 -0.04074776092875566 -0.027426539720732394 0.01659108665980105 -0.027426539720732394 -0.01820070824990533" pbc="T T T" energy=-923.56206554 free_energy=-923.5776242 config_type=crystal 
Hf      10.20073488      10.29274273      10.36522085       0.99604340       2.05454104      -0.24817989 
Hf       5.10941736       2.56677045       2.32341874       3.98310549      -6.60785451      -3.87072701 
Hf      10.37752585       2.39795703       7.86472792      -0.13115589       4.85665567       7.08696020 
Hf       9.96265050       0.15726209       4.79986306       1.94424022      -2.90545482      -0.42247101 
Hf       7.60318376       5.11733849       7.90037852       0.49984801       4.36831789      -0.24572505 
Hf       7.69096284       8.02067451       5.51550246       0.67314596       3.38876912      -4.89079553 
Hf       7.65217290       2.46546098      10.12130407       3.14494894      -0.38198043       2.67334613 
Hf       7.43938511      10.40515275       2.14464453       2.49195694       3.90971975       0.49594423 
Hf       2.88061683       2.49013955       5.04270831       3.27026135      -3.32664794      -2.55373159 
Hf       5.36490086       2.92142842       7.78509312       0.01021052      -1.27319864      -1.86802800 
Hf       5.18587692       0.04994753       5.03198851       0.24151413       0.13298776       1.93349549 
Hf       2.36034977       2.33454745      10.06338537      -0.35589309      -2.27135559       0.70159404 
Hf       2.42660825      10.04475386       2.57165837      -0.09929411       0.82940836      -1.51369829 
Hf       0.32217182       2.54695950       2.60235134      -2.70621000      -4.10943528      -4.60944627 
Hf       2.21188244      10.13427137       7.16957160      -1.56975893      -2.70473450       2.78041908 
Hf       7.64773890      10.20203018       7.92012499      -1.80959509      -3.16325999      -0.89355318 
Hf       2.84336145       5.16265253       7.96763600      -2.58728165       1.94888179      -0.95821978 
Hf       5.51505985       4.87132564       4.93886770      -4.07130711       0.92796104       3.01823730 
Hf       0.41120339       4.72092656       5.05748187       0.07400467       2.90510167       0.11950980 
Hf       2.02775341       7.76568271       4.85220850       1.17709404       2.24318692       6.28225163 
Hf       5.37709555       5.22889594       0.04357602       1.80570564       1.40198445       4.01496823 
Hf       5.21198863       7.77255126       2.80735615      -0.25453834      -1.73748150       1.30451701 
Hf       4.92824670       7.98894246       8.21841337       8.91311572      -3.40033347      -3.72664310 
Hf       7.60532870       7.78383466       0.28106718       2.47192480       2.31543944      -2.77038039 
Hf       7.75183698       5.18260823       2.84046587      -1.53230390       0.11017732      -2.77523968 
Hf       2.96256362       4.87965088       1.98958255      -2.15842902      -0.31482997       2.50040660 
Hf      10.34162679       7.39459825       2.44165352      -1.70589679       0.37655775       3.22788088 
Hf      10.32267930       5.07800232      10.46560740      -1.16563124      -2.35956985      -3.69313623 
Hf       7.73993722       2.41622819       5.22624453       0.25092066       0.52941483      -3.14049670 
Hf      10.18368482       7.65764526       7.70209720      -0.42892083      -1.39362914       1.09698041 
Hf       4.87295136       0.06092888       9.94604033      -4.52685414       3.79153674       5.93166706 
Hf       2.24655298       7.76708131      10.39108659       0.37177316      -0.45982165      -1.78036550 
O       1.09228832       8.48699637       1.21280222      -1.23106294       1.83625069      -0.93661745 
O       1.42681089       5.95010346       0.72850351       2.64315632       0.78671078       2.18673200 
O       3.18559876       1.12721194       6.58817022       0.45942238       2.34637834      -3.49202458 
O       1.08293447       0.99210732       3.54338110       0.79458571       0.08376359       2.26577462 
O       3.83007386       3.61570819       0.62960106       0.44871308       3.15154652       1.01658445 
O       0.96851064       1.04025896       9.12478796       0.39088230       2.12951927      -1.25285001 
O       4.26629451       3.72806630       3.37007181      -4.92409478       3.38934407       3.97150378 
O       6.21937754       4.19503706       1.71945673       0.23134068       0.57180228      -1.88149710 
O       3.91080396       1.18886571       3.59756535      -1.03119580      -2.65944608       2.85145089 
O       1.60036016       3.71491939       3.31505937       1.61828377       2.28091494       4.05933689 
O       1.09454222       0.97874910       1.00394365       0.85274624      -2.31566347       1.71615956 
O       1.57449180       6.67820801       3.49771832      -1.57234564      -5.55551987      -5.18947463 
O       3.91313268       1.28454436       1.26702362      -0.80395115      -1.23748040      -2.01498233 
O       9.68837870       3.45549066       5.96854187      -0.09133466       0.75877093      -0.69576675 
O       0.77602896       9.31009968       5.88907442       1.51250072      -0.61740742       1.60974666 
O       6.43918062       1.38191592       3.54568764      -0.87955418      -1.91260265       0.62007662 
O       6.26206404       9.39289852       9.61331376       3.78570274      -4.03064692      -2.58779413 
O       0.15091748       1.23917976       6.62990220       1.65240802      -6.22478870      -8.60066554 
O       3.70311258       3.36900458       8.60653984      -0.60513314       0.83885761      -0.46723439 
O       0.62021979       9.09363113       8.81721366       1.61199270      -1.35274589       0.33857320 
O       1.12031199       3.30007743       0.96624461      -0.29849120       3.05177109      -0.21914232 
O       3.30786428       8.94690977       6.01255245       1.38504732       1.48503971       0.27370422 
O       8.64764406       8.67940741       8.81657795      -0.71773589       0.77891562       0.43243043 
O       1.05225982       6.34609402       8.79005147       1.66430876       0.67823776       0.40388210 
O       0.76941987       8.91457727       3.59580064       0.83125216       2.67401081      -1.00465499 
O       4.25055931       6.02700533       3.97414466      -0.59727706       0.79124408       1.11235096 
O       3.45387070       9.00113421       1.18349435       0.68372857      -0.43555556      -2.73080412 
O       3.55410665       8.50540181       3.59189486      -0.56600953       2.40727593      -0.47771777 
O       1.14683418       3.73349648       9.09491125       0.33916239       0.62059486      -2.10231429 
O       8.70925345       3.84901057       0.77976204       0.47146958       0.27212636      -0.07726018 
O       6.58557711       1.17071721       6.22453246       0.75877148       0.03365968       0.20447437 
O       6.27720895       3.95127654       9.36465108       1.85591913      -0.06191833      -1.16305826 
O       4.59680151       3.02715284       5.92870448       0.42767103       0.98456401      -1.27732772 
O       2.09689218       3.73535266       6.07762218      -3.72640802       4.12510589       2.70327289 
O       8.79896815       3.45559773       8.52367516      -1.44608392       0.56839976       0.94357177 
O       8.17221703       6.50919573       6.34139198       4.16517246      -6.25191018       3.22294992 
O       7.14795670       3.73471558       6.59950605      -0.54256764      -1.90102557      -0.93160992 
O       5.88691933       1.49232386       9.16400000       2.70658371       1.90761227      -3.16279848 
O       6.56169795       1.41366147       0.91910265      -1.14831153      -0.49705759       1.25815741 
O       8.95429744       1.14633630       0.93476029      -0.40548210      -0.24539906      -1.15532871 
O       6.08331966       9.19464964       1.46415911       0.01764272      -1.54602406       1.12194114 
O       8.94820433       9.59015070       6.33200013      -2.65751810      -0.56645009       1.59137894 
O       0.68816291       6.43836980       6.06651974      -5.47460261      -0.84193969      -1.51371025 
O       6.46762848       7.81907949       6.92832664      -2.06665390       0.36400976       1.37165350 
O       9.05176529       6.28021285       8.86882365       0.59596583      -1.71165398      -0.33087292 
O       5.62997087       5.47696037       7.08462468      -1.20159485      -1.42085149      -0.31268022 
O       5.56235797       9.80587541       7.24723311      -1.52773347       1.92837428       0.13802525 
O       6.47818877       6.85250477       9.46869798      -0.70336305      -2.10458450      -0.39225272 
O       4.29753256       6.09268963       9.21356102      -5.14679418       0.89481820      -1.40249099 
O       6.74228658       6.72815208       1.57508921      -1.12371164      -2.31539338       2.42832948 
O       9.16541315       6.38153216       0.90595009      -0.17950807       2.07863554       1.43542138 
O       9.07090326       2.14446305       3.53858716       0.30047121       0.53139758       2.25458085 
O       8.27632715      10.14064676       3.93237333       1.77770046       1.62980307       0.21265893 
O       9.04677071       9.12786806       1.17481734      -1.62609311      -1.15943482       0.68346803 
O       6.72024916       3.65328603       3.95563247       2.79377846       0.75194848       0.61372954 
O       6.62350379       6.23991840       4.13423273       2.31442670       1.90563497      -0.78454448 
O       6.27151774       9.02374109       4.30393431      -3.09417346      -0.21099442      -0.88589310 
O       9.13072586       0.83590086       8.62864487      -2.48949124       1.30550922       1.33676749 
O       8.98812870       7.83088693       3.95530257       1.04888105      -1.07987730      -2.24816837 
O       9.62210987       5.52127499       3.31662972       1.61546123      -2.72780269       1.29204790 
O       4.20029266       6.30762373       1.70145633      -0.18737342       0.34432763      -3.59483399 
O       3.27078672       8.55556934       8.59015218      -5.41327467       2.72277692       2.81839983 
O       3.39160236       0.85697696       9.04391553      -0.84984889      -0.97247391      -0.64066032 
O       2.57356971       6.43132448       6.52883492       5.37800871      -0.86836749       1.87641086 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.048380745352091956 0.001686451228236522 0.008952614389565808 0.001686451228236522 -0.017567788828391325 -0.010147958501530023 0.008952614389565808 -0.010147958501530023 -0.01628901096869632" pbc="T T T" energy=-922.21346353 free_energy=-922.21596194 config_type=crystal 
Hf      10.34274175      10.35802366      10.32088403       0.76032469      -0.89964757       2.78046179 
Hf       5.07249878       2.49912635       2.30986198       0.54528933      -0.94519655       0.11161102 
Hf      10.25729674       2.47528749       7.86120730       1.05880786      -1.08126875      -3.12898576 
Hf      10.09153505       0.04956552       4.77108499       1.91460822      -1.09802493      -0.83286499 
Hf       7.57437921       5.26900880       7.79658281      -1.36011148       1.29148602       0.28355967 
Hf       7.73589371       7.83365325       5.44333383       0.12766083      -0.47144317      -0.52983275 
Hf       7.67734662       2.54123386      10.25199477       0.75758717      -2.09077029       4.58518169 
Hf       7.47777796      10.35663647       2.25556030      -0.20082062       2.24895773      -1.34012051 
Hf       2.94784395       2.42347833       5.02977533      -1.60555475       3.02939417      -2.69109726 
Hf       5.28194272       3.03179439       7.79540191       3.27508885       0.75941542      -1.41261920 
Hf       5.25587163       0.02755573       5.08963927       1.75562302      -1.13903199       2.08411473 
Hf       2.27494202       2.22791791       9.95413457       1.22140319       1.28659983       1.98745947 
Hf       2.45079784      10.15049252       2.62861376       2.19833452      -0.11100323      -3.20178436 
Hf       0.22495977       2.65739696       2.53000593      -0.75160374      -2.03680823      -1.36304029 
Hf       2.17492063      10.16154462       7.23806430      -0.52473276      -1.38181787       1.24808614 
Hf       7.72917462      10.20317079       7.83287509      -4.73891647       0.79265397       2.56317254 
Hf       2.73031864       5.13775239       8.07049990      -2.97941758       2.59541270      -2.48937789 
Hf       5.49539208       4.96203044       4.88316982      -2.44952500      -0.01069553       4.65468473 
Hf       0.40058983       4.62546425       4.97221594      -0.39882013       3.53192439      -1.31844138 
Hf       2.00750675       7.81816181       4.82461028       2.66662339      -3.30858229       3.07604049 
Hf       5.33702528       5.23742055       0.15141336      -0.52002573       2.86749997       0.27576929 
Hf       5.25673509       7.83464712       2.90187745      -3.03262811      -4.96963719      -3.15537502 
Hf       4.92433444       7.91220501       8.14735070      -0.34575189      -2.16524553      -0.79994201 
Hf       7.67916293       7.82182728       0.21840175      -1.76199263       0.07133119      -0.54050426 
Hf       7.64874386       5.12668271       2.79516240       2.50531963       0.56903713      -2.50194732 
Hf       2.95962398       4.87121606       2.06894638      -2.25076004       1.31480473       1.25972150 
Hf      10.28663999       7.35888507       2.54652380       0.60942864      -1.16027758      -1.85417049 
Hf      10.34138282       5.04716084      10.38727533      -1.23819373       0.99851032      -0.21779108 
Hf       7.83435072       2.40224304       5.24742184      -2.46345010      -0.20810907      -1.46455068 
Hf      10.20940665       7.72711257       7.66393597       1.08967669      -2.45590550       1.99996761 
Hf       4.86173526       0.28342250       9.99711842       4.68269015      -2.41905904       3.39548854 
Hf       2.28120918       7.85262188      10.32401521      -1.86350367      -2.43498221       4.26523965 
O       0.78754701       8.61315625       1.03877380       0.22941152       0.21315375       0.12641282 
O       1.48650559       5.84381962       0.86493106      -0.54326162       1.03345306      -1.99627637 
O       2.42650610       1.42994259       6.47969632       1.83767666      -1.76482863       1.80791439 
O       1.16323273       1.12807823       3.65913643      -0.00948818      -0.01388929       0.11505932 
O       3.90599212       3.56987241       0.70894616      -0.14227059       0.72918150      -0.66558858 
O       1.24495794       0.87322772       9.06442374      -3.94767355       1.33709331      -1.20582558 
O       3.89900834       3.81689106       3.63670852       4.33387397      -2.11102619      -0.65903636 
O       6.34255320       4.08261490       1.50593798      -0.31063414      -0.35354075       1.69548677 
O       3.98321153       0.80394347       3.92566763      -3.74635465       0.87022640      -1.07503277 
O       1.82156393       3.60314749       3.33400142      -5.03861846      -2.39940828       1.21355307 
O       1.50588826       0.72931150       1.05889999      -2.15643272       0.66997580      -0.39164802 
O       1.97192178       5.97910782       3.24332226      -3.74678996       3.89265207       2.77873891 
O       3.88948420       1.11189350       1.29919212      -0.09562900       0.24520180       0.05028051 
O       9.61261357       3.53159302       6.08443641      -0.46163238      -2.06468492       0.34879414 
O       0.81987313       9.22095601       5.98848250      -0.33079948      -3.88052919       1.07043731 
O       6.32421401       1.26836183       3.56190282      -0.50608558      -0.91344661       0.77352445 
O       6.51361832       9.28840398       9.65808607      -2.71288430       2.72666021       0.45632102 
O       0.27749298       0.79869027       6.38858617      -2.16136805       4.24742458       2.31726306 
O       3.57290583       3.36539447       8.36193501      -0.81431519      -1.62462698       2.36449720 
O       0.68374785       8.88113954       9.07202994      -2.72693513       0.86953538      -1.35103888 
O       0.87822324       3.49165243       0.84926776       1.75017260      -1.75861634      -0.88539229 
O       3.23241187       9.00956986       5.94168058       1.53417908       2.05755428       0.30592755 
O       8.18484617       8.53412054       8.69936320       5.38936379      -1.99282445      -1.56513780 
O       1.31827430       6.59563073       8.68983676      -3.11689805      -1.67271078       0.52677330 
O       1.05793082       9.03309704       3.53127421      -2.63525647      -0.09445008       0.06942462 
O       4.20075485       6.05148923       4.28511661       0.71371705       2.18514953      -0.87148802 
O       3.62566249       8.90974555       1.12018190      -1.51921470       0.88349207      -1.16713388 
O       3.42077511       8.16946191       3.51181765       0.27692091       3.39020718      -1.16381781 
O       1.22144971       3.62926673       8.59151571      -1.57097338      -0.29397876       2.44433996 
O       8.95144561       3.72124485       0.86977126      -0.41470054       1.38088722       1.59024927 
O       6.69703314       0.93413535       6.14784326       1.33773171       0.14683519       0.56256082 
O       6.41766588       3.85982592       9.65377169      -1.42481820       2.08036269      -4.01952861 
O       4.66637945       2.77446570       5.96870567       0.45862883       0.21631255      -1.52162750 
O       1.61640024       3.78339095       6.09005048       3.61158901      -0.97337353       0.38962922 
O       8.82224435       3.34881057       8.95663224       2.18471625       1.09325741      -3.24782420 
O       8.79744374       6.03116251       6.50745174      -1.02810867       3.30289818      -1.98043192 
O       7.37101864       3.59625770       6.70843334      -2.65794492       0.66899313       1.69177098 
O       6.06040078       1.55023167       8.76163197       1.61436015      -1.26332020       1.54711917 
O       6.28623196       1.52246589       1.09165700       1.69333909      -1.83431995      -2.36614462 
O       8.93634791       1.16018162       1.09965558       0.39187403      -0.69754253      -0.90782910 
O       6.08459581       8.94907480       1.50931751       2.37784780       1.61092389       0.71255969 
O       8.78831282       9.73925773       6.34612856       0.09100794      -3.44723932      -1.18031736 
O       0.64716356       6.49227314       5.58287528      -0.78189761       0.53318251       0.68296812 
O       6.26113684       7.56326128       6.71363274       1.93113358       2.27021843      -0.61166693 
O       8.99395314       6.12496593       8.86410465       1.85694960      -0.02737029       2.06665195 
O       5.32871470       5.60274996       6.97944513       2.23373549      -4.61450555      -0.14203125 
O       5.21329743       9.85121362       7.70308521      -0.56608588       0.21756161      -0.96953684 
O       6.20932947       6.83618001       9.47454199       1.30676298      -1.61485160       0.73216308 
O       4.04330479       6.06270219       9.07167629       0.27498174       0.11861816       4.11041405 
O       6.78272296       6.59392548       1.81142762      -0.69370209       0.17146781      -1.25120950 
O       9.14662339       6.44896547       0.99837647       1.42501415       0.14182103       0.00905383 
O       9.02546875       1.98993965       3.81301197       3.87423645       1.38036170      -1.35429764 
O       8.30555652      10.21406349       3.99484629       0.28836401      -0.99527682      -0.04270328 
O       8.86148297       9.13601244       1.24923203      -0.46272151      -0.35430542      -0.41100825 
O       6.76819200       3.66119660       3.89025525       1.16795027       0.30145258       1.06624269 
O       6.88108305       6.41711630       4.32770253      -0.94698861      -2.49846728      -0.70499831 
O       6.08636826       8.89768419       4.19794729       1.42123122       2.43778992       3.30223303 
O       9.29707522       0.72725322       8.65175686      -1.78443584       0.63399396       0.81502310 
O       8.85183449       7.69641510       3.77489815       1.17776586       0.89633988      -0.15396864 
O       9.67117981       5.35563513       3.28599338      -0.16205943      -2.06787275       0.06828257 
O       4.20882272       6.28552989       1.54042924       0.88570927      -0.23218537      -0.98156647 
O       2.85761160       8.41292257       8.71278935       4.80355944       3.67005221      -4.21163759 
O       3.37127846       0.79240825       9.08894971       0.02486264       0.57925450      -1.93888286 
O       3.00270851       6.46922447       6.83692751       0.07081892       1.41048924      -2.71703307 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.019208868304814553 -0.002698399810528555 0.010990867580633718 -0.002698399810528555 -0.030357582746223036 -0.002242278986823673 0.010990867580633718 -0.002242278986823673 -0.02601094675766224" pbc="T T T" energy=-922.8551321 free_energy=-922.85560867 config_type=crystal 
Hf      10.10238976      10.26525001      10.41846994       3.65764963       0.12095026       1.48854550 
Hf       5.35848654       2.70713507       2.62160591       2.72546072      -5.59985062      -0.09193977 
Hf       9.98769224       2.54223213       7.71658514      -1.31513665       2.87793515      -0.29768423 
Hf       0.28882683      10.14654603       5.13887029      -4.19611188       3.89841571      -1.74424603 
Hf       7.27041030       5.55973377       7.94836531       2.92359272      -0.97729026      -2.93491116 
Hf       8.10279158       7.51476614       5.02440575      -1.97755447      -1.51407221       1.39204870 
Hf       7.54912479       2.52820627      10.23107996       1.15553261       1.85457803       4.97626736 
Hf       7.75542803       9.95861138       2.59189352       0.96458287       3.39196584      -2.22299631 
Hf       2.59104241       2.26885614       4.92325213       3.33412500       0.00344484       0.03839171 
Hf       5.50311666       2.64544477       7.97762933      -3.09813033       2.21186138      -4.59563026 
Hf       5.40650348      10.23810215       5.63926329      -2.84649267       2.25912752      -2.32794908 
Hf       2.57456369       2.52015703      10.00291219      -0.65923121      -1.67088793       2.24841756 
Hf       2.63681738       0.07593929       2.11666189       0.52254515       0.80940356      -0.10163731 
Hf       0.12578290       2.61982184       2.60983939      -9.47238856      -2.16176998      -4.55081812 
Hf       2.20540658      10.37609607       7.86069927       3.09875344      -2.65963621       3.42123261 
Hf       7.78777529      10.34104434       7.98735788      -1.51215257      -1.46664034      -1.38440758 
Hf       2.32690535       4.78255688       7.69294922      -1.69066213       1.09567080       1.98208593 
Hf       4.82860398       5.11670570       4.99116887       0.26852813       0.59459487       0.37220082 
Hf       0.68583062       5.24959892       5.04602463      -0.34634518      -0.55364491      -3.11241826 
Hf       2.65629058       8.07815111       5.15687498      -3.29426968      -2.87562257      -0.25900056 
Hf       4.87670778       5.37300421      10.44822912       2.50147406      -2.32182133      -0.92303690 
Hf       5.33037318       7.89559243       2.92806137      -1.59366557      -2.59416136       0.37307228 
Hf       4.55746377       7.45773466       7.43952986       1.83388728       1.98681626       0.84676076 
Hf       7.54097685       7.73474839      10.44441743       3.08795281      -2.89160173      -4.28584896 
Hf       7.57707593       5.35813414       2.41351012       2.24298605      -4.72496022      -0.84555195 
Hf       2.39383670       4.75212201       2.10594649      -3.36814581       3.26326326       2.39084776 
Hf       0.30040297       7.75035904       2.44972892      -1.89002532      -1.68427875      -3.60624132 
Hf      10.16898399       5.30270023       9.93102614      -1.97232634      -2.40077132      -0.61960680 
Hf       7.60385736       2.23426325       5.05116008       4.62133043       1.46050975       3.58705791 
Hf       9.81979922       7.59359400       7.31214532       0.19725758      -2.91572581       4.42968679 
Hf       4.96875090      10.26981861      10.31874506      -0.03679599       0.57095898      -1.28203858 
Hf       2.66698180       7.82221819      10.42984586      -0.78369230       0.26914618       0.99731553 
O       1.29849371       8.96262372       1.15611665      -1.22384109       1.49814437       2.87525599 
O       1.88031092       6.60929980       1.57876871      -0.85698544       1.39793365      -0.05745368 
O       1.78663508       1.07124205       6.33920548      -2.08594615       0.72151657      -3.78285942 
O       1.19478016       0.72135970       3.36265850      -0.33230355       0.41106685       3.78732806 
O       3.60677466       3.97187664       0.92339986       1.51427120      -0.83496320      -1.52297176 
O       1.44150983       1.42920734       8.78066674      -2.89259447      -2.41377251       0.00054596 
O       4.21187770       3.90820300       3.46677511      -3.22078133       0.69742361       1.64954436 
O       6.17255197       3.76149974       1.35866274       0.29183762       1.12747350      -1.98169482 
O       3.96818500       1.07024096       3.75811413      -1.45988190       0.55479087      -0.08168399 
O       1.53066950       3.38774106       3.36614249       6.49088326       1.83698560       4.30799341 
O       1.22443854       1.61430930       1.23657933       1.80077615      -1.29296010      -2.62003055 
O       2.61685771       5.92130341       4.02888907      -2.90874161      -0.90242147      -0.44884885 
O       3.91339036       1.24961645       0.86499700      -1.87796095       0.53862163       2.16538332 
O       0.34149222       3.98970257       6.66130562      -1.62656807      -0.22192902       0.30187958 
O       0.44380498       9.18633341       6.88562171       2.58280689       2.12565111      -1.43657200 
O       6.84372876       0.99452271       3.93526420      -1.88258601      -2.12439322      -2.81894814 
O       6.57881511       9.45508794       9.52713967       3.30231247      -1.59563441      -0.03004554 
O       8.69365012       0.71172222       6.16556212       3.91788038      -1.24135338       2.41244186 
O       3.89627519       3.50147841       8.95578720      -0.66775659       1.32473325      -1.32368698 
O       1.76920017       9.19552482       9.45357275      -2.43495982       1.63812569      -3.08586085 
O       0.83755410       4.32711454       0.61426714       4.60942329      -2.17175195       4.28170737 
O       3.49797694       9.35886275       6.38407733       0.09796902       1.02176890       0.40993914 
O       9.30164937       9.28971330       8.98250594      -1.17219995      -0.86670736      -1.81903626 
O       0.45864291       6.19917369       8.43910251       3.12119605       0.94708354      -2.41121156 
O       1.02829504       8.77214704       4.01942385       1.54590389      -0.71208675       0.07072299 
O       4.18938929       6.99213539       5.10196218       3.51190795       1.01895372       2.17442544 
O       3.67367566       9.08020342       0.97308176       3.29638381       2.94042271       2.49459054 
O       3.52904931       8.77827699       3.60867846       2.55098651       1.74588470      -3.15854285 
O       1.16421090       3.55380418       8.89256758      -0.03446039       2.30904520      -1.32005573 
O       8.97849278       3.52464356       1.48639643      -1.70116704      -0.72840066      -0.11515185 
O       6.48287302       1.08762657       6.49843595      -0.15009907       1.54442507       2.38586125 
O       6.35992940       4.18516660       9.04963835      -1.60261080      -3.29584371       1.84667802 
O       4.36004570       2.43899793       6.27862775      -1.80493921      -0.88385993      -1.66978473 
O       2.29398098       4.15997749       5.81627342       3.90551404      -1.05202197      -0.76350011 
O       8.63222285       4.20389869       9.22944798       1.58264201      -1.90668185       0.10847786 
O       8.76606649       6.05425272       6.54695505      -0.44339204      -0.50268268      -0.72985245 
O       8.18729045       3.34564977       7.01474458      -0.80249434      -1.62025699      -0.47329693 
O       6.04841667       1.26896322       9.13525898       4.25072077       0.78172677       1.64500936 
O       6.44098101       1.26360871       1.37700842       0.28085912      -1.55250216      -1.00439986 
O       8.97638468       0.68391143       1.14065043      -2.28413390       2.76268528       2.65366155 
O       6.75710902       8.53988281       1.44599093      -4.08968660       2.99112793       4.73407117 
O       7.99319414       8.44232024       6.79854440       2.80480756       1.76344424      -0.19590080 
O      10.31856598       6.98348121       5.19994025      -0.38974368       2.64984991       0.16413035 
O       6.42967971       6.43315376       5.86470471       0.89880661       0.65474238       0.54617358 
O       8.71806044       6.80413523       8.98724273      -1.84857693       0.25959846      -0.70413305 
O       5.15225206       4.77077529       6.95555310      -0.99413683       0.83516881       0.97270298 
O       5.90463913       9.10211409       6.98285983      -1.09605498      -1.83377038       2.06348087 
O       6.15092483       6.76345196       9.03176333      -2.83027383       1.13682652      -0.44369963 
O       3.11501795       6.15897124       9.59397191       1.76843240      -3.31016757      -3.21927993 
O       6.98370801       5.66664004       0.61525724       0.02829027       3.99345965      -0.68355720 
O       9.55687886       6.32292437       0.86320267      -1.49626183       3.92444896       3.98881803 
O       9.47898144       2.22100760       4.27105872       0.68777912      -0.18293633      -0.29665342 
O       9.13293663       9.43137928       3.81748240       1.19501016      -0.40804769       2.77836674 
O       9.33892746       9.00102777       1.29959465      -0.94160586      -3.54126481       0.48824469 
O       6.97804381       3.75861379       4.03352884      -1.94727565       1.36046356      -1.42937173 
O       5.79014057       5.92974095       3.42371517       0.32585059       2.04487630      -1.86183286 
O       6.44430037       9.13303962       4.41242108       0.51262295      -3.14439476      -3.21766037 
O       8.85211603       1.26731762       9.27361419       0.36432105       0.86812419      -2.29526710 
O       7.93094192       7.18783188       3.01543185       0.87675966       0.39483559       1.37547113 
O      10.27450160       5.11650214       3.22917217       0.00752392       0.53736136       1.58912353 
O       4.64798018       6.79933166       1.19266745      -0.48738874       0.86591366       1.38954912 
O       4.19488394       8.75442002       8.95129667      -0.69788513      -2.24537793      -0.47165475 
O       3.87907525       0.77930697       8.94236827      -2.82264963       0.63380085      -1.86460289 
O       2.32919169       6.85564809       6.88103103       1.89769992      -0.94274789       0.28993404 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00903231443532995 -0.012193966536751002 -0.005354446019638237 -0.012193966536751002 -0.009714177536948867 0.00351457481459712 -0.005354446019638237 0.00351457481459712 -0.025285031390466787" pbc="T T T" energy=-932.72133024 free_energy=-932.72141481 config_type=crystal 
Hf       0.02553543      10.39040954      10.19815319      -1.83645482       2.13825134       1.78664246 
Hf       5.19077626       2.90288828       2.39179798       2.63691521      -1.04368120       3.96187743 
Hf       9.93660745       2.49316093       7.78981871      -1.17932376       2.05563323       3.80274136 
Hf       0.27694047       0.00304755       4.74535697      -2.83369027      -3.85837977       3.72865825 
Hf       7.40118746       4.98264300       7.25898111      -0.64546541       2.56182706       4.00409265 
Hf       8.16603182       7.68110430       4.77249384      -1.36432339       1.65286135       0.63931137 
Hf       7.60589911       2.30297878      10.43701144       0.99546343      -0.74054563      -0.00435221 
Hf       7.60869693       0.20754422       2.51749987       0.56741252      -1.13446383       2.08710593 
Hf       2.15643115       2.86297469       4.97248775       5.67784166      -2.21751652       2.60758634 
Hf       5.36217661       2.33735857       8.06032717      -4.14695292      -2.75780873      -1.95530613 
Hf       4.92214093      10.20095729       5.16385604      -0.92122054      -0.20629887       1.98403949 
Hf       2.54381588       2.17516805      10.11505805       1.73681304       2.18905238       1.31554381 
Hf       2.83804975       0.20949941       2.51978046       0.14337023      -0.16004629      -1.67857420 
Hf      10.35561256       2.85769209       2.36860070      -1.61311276      -1.20942717      -4.58444527 
Hf       2.52026870      10.32309554       7.63233286       0.52802831      -5.41315484       6.77992078 
Hf       7.71782696      10.11429757       7.86285259      -0.21167579       0.00353505      -2.66399396 
Hf       2.75224470       4.98933153       7.73365174      -0.09800687       3.17136168       2.95588968 
Hf       4.98591546       5.12032963       5.32141055      -1.45956000       1.26153355      -1.44621718 
Hf      10.46585273       5.04923869       5.23792596      -2.50716895       4.10035166      -0.63215287 
Hf       2.45849301       7.78029353       5.27362042      -1.39617358      -1.84201867       1.34356235 
Hf       5.05011294       5.38028219       0.21903046      -3.75686336      -2.20311563      -5.40013674 
Hf       5.08739553       7.51537140       2.43035389       1.14736922       1.37522534       4.93072869 
Hf       5.10421482       7.80749539       7.73615788      -0.98917581       0.47478682       1.45591918 
Hf       7.86357486       7.58548353      10.31286515       2.49151820      -2.75022120      -0.79930255 
Hf       7.55390847       5.18173712       2.40992795       2.03229821       1.92953467       2.77411588 
Hf       2.38190617       5.23543658       2.64938749       1.25288675      -1.99146654       0.62474439 
Hf      10.24353934       7.56756341       2.36635266      -0.51260873       4.18584897      -1.03707102 
Hf      10.37169785       4.99881736       9.98089225      -4.16275056      -0.22113858      -1.09573127 
Hf       7.94157359       2.60418418       5.07699788       0.13138078      -1.65531621       0.86561134 
Hf      10.37310242       7.92724264       7.80260506      -0.22969729      -0.37205012      -1.44110051 
Hf       5.35296248       9.72053589       0.03196922      -4.61134857       3.82075097       0.62126732 
Hf       1.92381661       7.82979457       0.07487247       6.51103501       0.82114420      -0.48516765 
O       1.00262617       9.25922704       1.06181650      -0.32622133       0.27547413       3.53912108 
O       1.83735795       6.85542840       1.88271427      -3.03234947       1.29789968      -0.79148518 
O      10.15833369       1.89519542       6.06407735       2.38078878      -1.09253530      -3.85930084 
O       1.27735387       1.09121763       3.49684031       1.31414466       2.59491639       0.64319671 
O       3.62762427       3.37493797       1.49573521      -2.44009515       0.87269650      -2.22074656 
O       1.05887540       1.41336925       9.02781778      -2.54062052      -0.78320419      -1.56764247 
O       3.59898278       4.04372867       4.00705061      -2.12775931      -0.23868729       1.08924856 
O       6.61311641       3.97792977       1.16326999      -1.75721278      -3.28413329      -1.54107927 
O       4.07800359       1.68348879       3.73941480      -1.55872245      -3.54726309      -0.90252358 
O       0.94868578       3.83425270       3.87267967      -1.32750234      -1.39718047      -3.09021490 
O       1.24164152       1.30148526       1.13994690       0.25303055       1.53860802       0.14769714 
O       1.60526567       6.04930786       4.33687260      -0.15319399       0.09865066       0.29146813 
O       3.75697907       0.61985923       0.64812132      -1.28727080       0.03365416       1.88950524 
O       1.35930788       4.31918105       6.42544132       0.04872295      -2.75604963      -1.35440817 
O       0.99145852       9.20567515       6.67804473       0.40636708       1.54337993      -1.06737026 
O       6.80595771       1.96199197       3.68170208      -0.55197705      -1.84407896      -1.76665215 
O       6.48876738       8.69989834       9.33488960       0.72005799      -1.05060775      -1.06812988 
O       7.74723886       1.49048170       6.75578421       0.68800514      -0.40205490       0.14183337 
O       3.98968017       3.65167372       9.27876398       1.35795193       1.14866973       0.55612854 
O       1.21086199       9.18002459       9.22175427       0.69791722       0.35819479      -3.38417596 
O       0.81891453       4.32677648       1.01726367       3.49197727      -1.97500284       6.46584827 
O       3.68037486       8.89836020       6.58022260       0.63948083       0.27079823      -1.37000223 
O       9.15604370       8.99649590       9.40363778      -0.25786385       1.71217467      -3.18205899 
O       0.63205968       6.82314049       9.64356641      -2.44302711      -1.35657401      -1.55156328 
O       0.72729383       8.58337615       4.12089241       0.93178442       0.80192432      -0.88439633 
O       4.05868937       6.79463726       4.33070246       0.77633810       0.59246220      -1.31943189 
O       3.73972408       8.26803938       1.30300035       0.02686477       3.28106212      -1.27665948 
O       3.23207507       9.21744942       4.18551052       1.31134057       3.89656266      -3.90023221 
O       1.41804011       4.08686313       8.96131743      -0.68104850      -1.22746280       0.17611024 
O       9.18361973       3.44010398       0.53128221       0.25209081      -1.83362423       2.90064724 
O       5.40438638       0.81436278       6.65671378      -1.00835568       2.07117392       1.02745659 
O       6.86170237       3.17087030       8.78646972       0.14959674       1.61053941       0.27062142 
O       2.49503491       0.68632096       6.10747701      -1.01673966       6.44497309      -8.16344601 
O       3.83458940       3.87191239       6.66195787       1.43183270      -2.74928516      -1.99376388 
O       8.89798426       4.22205409       8.80056958       2.06409593      -0.49727994      -0.67594952 
O       9.78776480       6.86539871       5.65189128      -0.29513692      -0.77560420       2.73793923 
O       9.00280022       4.16813997       6.54333009       1.90432365      -1.20681059      -3.62626889 
O       6.16661188       0.75916550       9.42786368       0.92100445       1.04285841      -3.14237607 
O       6.25865060       1.19063512       1.17334182       0.59377458       2.26335474       2.05229751 
O       8.96636612       0.89815800       1.02511866      -0.98866977       0.26370048       1.15263902 
O       6.17648339       9.33606025       1.82969323      -0.20439425      -2.17876035      -0.66148309 
O       9.08488798       9.24200616       6.32948950      -2.03786607       0.32932528       1.92164388 
O       1.62912630       6.88324589       7.11895131      -0.87130847      -1.19096339       0.60078609 
O       6.69632447       6.28768562       5.70697552       0.92864798      -0.67593444       2.42398063 
O       8.34447749       6.82881840       8.46398925       2.34034911       0.06866512      -1.11022488 
O       6.36890532       3.70851649       5.79067435       1.25734781      -0.83535215       4.43677776 
O       6.28071125       8.92961437       6.66898352       0.95726936      -0.02530771       1.40445049 
O       6.11056978       5.93697623       8.65450235      -1.85141203      -0.37404794       0.69781009 
O       3.48487284       6.64141753       9.83524555       1.57990860      -2.45373575      -0.36489888 
O       6.53246219       6.22689416       1.03206895      -0.45641460       5.07228767      -1.79071794 
O       9.09588890       5.97879833       0.89881172      -0.43376084       1.22715031       0.08299025 
O       9.12602329       0.77841912       3.87500495       0.21447565       2.54057382      -0.03882284 
O       8.83217311       8.91675267       3.41820451       0.21628855      -0.39698293       0.26614250 
O       8.86227170       8.57155238       1.16387744       0.41213173      -0.32762016       0.60618377 
O       6.02843638       4.44100427       3.74639209       0.38411728      -0.45811022      -4.63323492 
O       6.74478099       6.83334755       3.35272754       2.18136632       0.52356549       0.01943356 
O       6.54258259       9.64601247       4.42859576       0.97136177      -0.19918525      -2.44116119 
O       8.89228981       1.16323356       8.87538574       0.44164468      -0.47908170       0.99907259 
O       9.45174682       6.28246602       3.42323090      -2.11084927      -2.17707542       1.61915898 
O       8.71586997       3.91665508       3.53039568       2.85432317      -2.27781203       0.30885767 
O       4.24630469       5.84064742       2.02601623      -0.64991289      -2.25697374      -1.76055281 
O       3.92693540       9.19227946       8.87585013       1.57808914      -0.50817696       1.74497686 
O       3.41927070       1.39311088       8.59250131       1.84170755       0.14623505      -0.61840276 
O       4.02352284       6.40592249       6.78816454       0.36578482      -1.14116236      -0.03631783 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.022291121918984875 -0.02868884690568567 0.005760557001132344 -0.02868884690568567 -0.015846057007949072 -0.006606902605228679 0.005760557001132344 -0.006606902605228679 -0.02854644658786922" pbc="T T T" energy=-930.52693107 free_energy=-930.5269938 config_type=crystal 
Hf       0.04042015      10.40014687      10.16863651      -1.59071399       1.73054379       3.28664097 
Hf       5.19615421       2.83809109       2.40611219       1.42484623      -1.59244349       4.47456963 
Hf       9.95556488       2.47544061       7.87570979       0.26396240       3.28477302      -0.46767194 
Hf       0.27645452      10.45842299       4.79436401      -1.97414962      -1.88358523       1.73902026 
Hf       7.41545718       5.02600028       7.26421892       2.46084414       0.61011057       1.89349394 
Hf       8.09809142       7.67814069       4.74723168       2.86016063       1.92302998       4.89669738 
Hf       7.64492589       2.25908311       0.00015375       0.14098447      -1.01182828      -0.51692505 
Hf       7.64231102       0.26585781       2.55690815      -0.93032987      -2.58890792       3.96744258 
Hf       2.12702353       2.88580786       5.04257727       4.27812051      -2.73290777       1.53273338 
Hf       5.35358512       2.37742538       8.02939736      -4.73812325      -4.54788338      -4.27922715 
Hf       4.83485617      10.13995243       5.12937556       3.83542099       4.06746248      -0.86351901 
Hf       2.51820864       2.19725372      10.10722441       0.82518148       2.33774797       0.76500015 
Hf       2.91680853       0.26871320       2.46432111      -1.96056816       0.26114434       1.07522593 
Hf      10.32736460       2.86251543       2.30114039      -0.50402184      -1.28578725      -0.97762860 
Hf       2.51897215      10.32516869       7.66471256       0.48858305      -0.43585318      -0.71618245 
Hf       7.74343670      10.15762126       7.81979862      -0.55092338       0.81479763      -2.29172281 
Hf       2.72534029       5.01394531       7.74796752      -0.03655724       0.58595112       0.32677800 
Hf       4.95709825       5.16306207       5.30028442      -0.00953399      -1.42748584      -2.48875882 
Hf      10.44976754       5.06257378       5.21868270      -3.75741348       2.68534764      -0.77607272 
Hf       2.41525703       7.70940941       5.30168564      -1.52764619       1.02377800      -0.54292909 
Hf       5.06009905       5.35897039       0.18099116      -3.23081169      -1.44390806      -3.62430322 
Hf       5.04939757       7.52216407       2.37786297       1.36992161       2.19486177       3.53447197 
Hf       5.17340153       7.80577778       7.78174079      -0.85679032       0.57613381       0.46556164 
Hf       7.91678659       7.54673002      10.29993018       1.62923620      -0.04543074       4.18660427 
Hf       7.53175121       5.18559988       2.37679040       6.08337166       3.56914060       5.54568996 
Hf       2.40910552       5.32302046       2.64655544       0.52898408      -3.44694944       1.04206673 
Hf      10.26641018       7.47133256       2.34319944       0.18104382       2.58459315       1.81664284 
Hf      10.34215271       4.93905274       9.94852427       0.60965990      -1.57879337       3.61465383 
Hf       7.92327438       2.57887681       5.08395989       0.83688567      -2.18243395      -0.36709041 
Hf      10.29631536       7.94128231       7.80711693      -0.11913788      -0.43122587      -2.21468215 
Hf       5.35320634       9.73637806       0.07664231      -2.43043138       3.20789231       0.50281678 
Hf       2.01681811       7.83683173       0.10407987       0.13974557       1.02973490      -2.45342036 
O       1.07069655       9.31266630       1.09542923       0.25915991       0.14336618       1.20417191 
O       1.84250554       7.02345100       1.96641237      -2.17794166      -0.32143908      -1.81661495 
O      10.08443918       1.85729941       6.14671082       2.63503686      -2.55425895      -3.44625664 
O       1.39764756       1.03564619       3.62235349       0.65327001       2.17565685      -0.91876940 
O       3.56874970       3.43240452       1.62301593      -1.27874526       0.24489070      -2.86658865 
O       0.95992480       1.39748795       8.95196243       0.27458617      -0.64469203      -0.20077222 
O       3.59419523       4.01208506       4.04577356      -1.41374068       0.94684172       0.58780142 
O       6.63879282       3.98382318       1.37771468      -3.56564515      -6.58929611      -7.36732483 
O       4.13767266       1.55498887       3.90925579      -0.72607224      -2.03297390      -2.83255560 
O       0.94599010       3.83623992       3.73430164      -0.56850692      -1.52737086      -0.17117043 
O       1.38155347       1.33011733       1.10862575      -1.63079614       1.40546965       0.90995286 
O       1.43507490       6.14619986       4.16845542       1.44110788       0.38945036       2.78435861 
O       3.68939108       0.60629849       0.56097702      -0.11867057      -0.33415037       0.95365684 
O       1.15670381       4.08943059       6.48388804       2.82860343      -0.89646161      -1.18533232 
O       1.02736816       9.17467877       6.53773172       1.52855187       1.00851313      -0.22457821 
O       6.80052188       1.80235929       3.61154945      -0.62972744       0.20703683      -1.16673053 
O       6.51205227       8.63478675       9.41510476      -1.68532827       0.40324135      -1.03791165 
O       7.76130795       1.61563035       6.74253055      -0.14957563      -2.83565221       3.00866066 
O       3.65313961       3.71781277       9.18399609       4.54604919       2.27894368       1.30590813 
O       1.11814339       9.22365703       9.12699183       3.04205478      -1.35686995      -2.89877899 
O       0.85850523       4.27285797       1.30818635       1.34118403       0.61430900       0.46244668 
O       3.86163710       9.06713469       6.37368837      -2.08285333      -3.59717956       2.13043584 
O       9.27958076       8.98492070       9.40937525      -1.89963125       1.29690032      -2.29459869 
O       0.66388771       6.61511273       9.75638755       0.03891292       3.31421087      -0.95699277 
O       0.80683067       8.68241445       3.97098837       0.39002274       0.34191739       0.42313483 
O       3.91266181       6.76348765       4.03390259       0.85579829       0.78771379       1.91766714 
O       3.64379141       8.10530536       1.07004252       5.55957976       4.27567506       2.35984102 
O       3.28055650       9.40521399       4.13863199      -0.72088011      -0.34231330      -4.00825307 
O       1.45681686       4.07874366       8.88287808      -3.62192736      -1.23354278       2.41913170 
O       9.16283899       3.59761663       0.53187638      -1.15344743      -4.16593024       3.10799829 
O       5.44232572       0.68502524       6.68343943      -0.90029721       3.33506689       1.69805301 
O       6.80636976       3.15739559       8.79990037       2.51929646       2.55767335       2.47755956 
O       2.49612841       0.89859957       5.94000986      -1.21952813       1.44378458       0.24140722 
O       3.81865608       3.82976595       6.48330088       0.29318534      -0.40870474       0.49708294 
O       9.10795423       4.25099910       8.76835817      -1.96608585      -0.71366400      -2.32412388 
O       9.80902385       6.83855438       5.96043737      -1.03405512      -0.46058147       1.55217841 
O       9.16483625       4.03613712       6.51458917      -2.03861162       0.90545030      -1.81615412 
O       6.21019732       0.75257232       9.41636416       0.81130268       0.69935765      -2.55706379 
O       6.08674305       1.09106556       1.17878330       1.70822844       1.94594575       1.80258784 
O       8.91587843       0.73787516       1.06888747      -0.16377837       1.92542759      -0.91221924 
O       6.28513992       9.04794680       1.79160307      -0.60942693       0.33815563      -2.38140563 
O       9.07822729       9.19610779       6.48991782      -1.43333085       1.18104351       1.88742153 
O       1.58319088       6.77937639       7.21202230       0.45342414      -0.28565690      -0.30817226 
O       6.72053007       6.29702241       5.83799612      -0.61627168      -0.46610277       1.53642415 
O       8.19576179       6.94727391       8.60956739       4.32353335      -2.08979116      -4.96439599 
O       6.49224948       3.73491653       5.93732287      -1.97081746       1.14045450       2.31952346 
O       6.39479618       8.96016626       6.84766060       0.67441562      -1.02439573       0.03429164 
O       6.19365372       5.90607017       8.62624194      -3.37849447      -0.69845300       0.83994090 
O       3.56407005       6.59583786       9.84093508       1.57551024      -2.68806656      -1.44007024 
O       6.53304286       6.31317625       0.96638056      -2.28879109       3.17568016      -0.48625473 
O       8.86101335       6.03961752       1.03691229       2.22371490      -1.07365394      -1.03962950 
O       9.16758384       1.17549283       3.82896549       1.13766073      -0.43690978      -0.61991221 
O       8.72749363       8.88810961       3.48862393       2.28265402       2.54759560      -1.09531557 
O       9.06427051       8.36592410       1.22607074      -0.66788278       2.11302104      -1.38447552 
O       6.07470138       4.32283554       3.50697076      -2.09135331       1.06280214       1.90260557 
O       7.12976498       6.85609144       3.47441690      -5.36005139      -1.98089526      -4.52839322 
O       6.60611368       9.77024386       4.18202611      -1.95492986      -0.95638498       0.97010876 
O       8.94051659       1.19948900       8.91882288      -1.44138139      -1.18433915       2.30468765 
O       9.52546864       6.30155595       3.64894309      -1.73685076      -1.41799960       0.49839169 
O       8.63375729       3.87535274       3.82073257       3.18463989       1.66584946      -3.10755968 
O       4.23978603       5.87660143       2.01112586       0.47886153      -3.42466544      -3.78449634 
O       3.83006486       9.19342771       8.74349907       1.74061774      -0.73230135       1.90791561 
O       3.38662359       1.60993098       8.50971022       1.22527497      -3.10979389      -1.56555247 
O       4.02287707       6.40920814       6.72971689       0.60437345       0.07857324      -0.55647245 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0213841731649365 0.0055009376466867 0.01574269544477927 0.0055009376466867 -0.03398955602211219 -0.0034060060165371753 0.01574269544477927 -0.0034060060165371753 -0.027749539784072227" pbc="T T T" energy=-927.99973506 free_energy=-927.99997955 config_type=crystal 
Hf       0.04776606      10.43351814      10.15679903      -0.77293851      -1.67548079       2.33117418 
Hf       5.20948135       2.68458093       2.48983477      -1.99361562       1.24008966      -1.03667580 
Hf       9.99034846       2.47857325       8.01253149      -0.32422920      -1.07339430      -5.80376704 
Hf       0.26055887      10.42309025       4.90438785       2.92800306      -0.71384053      -3.38895385 
Hf       7.48812778       5.12050828       7.32645241       1.46341336      -0.15731017       4.14216246 
Hf       8.00290018       7.70177243       4.76224806       0.32423671       0.48948108       0.77780227 
Hf       7.70646045       2.15616845       0.04655962      -4.95181233      -1.03065336      -1.97969344 
Hf       7.70458753       0.33514740       2.68010328       0.20643575      -3.34247437      -0.70312920 
Hf       2.12550374       2.89933594       5.18344594       2.86838549      -1.00107295      -4.42108004 
Hf       5.29049643       2.40030271       7.91466227       1.09666053       0.82075436       0.56419784 
Hf       4.72317910      10.09425773       5.03931757      -0.23085922       2.09793815       0.84059804 
Hf       2.48878303       2.27953344      10.09934022       3.12604532       1.60762621       0.26557288 
Hf       3.03094726       0.39972019       2.37554481      -5.86996591       1.71143911       0.30928511 
Hf      10.26927594       2.83920647       2.16628958       5.56375482      -2.32025295       4.67932525 
Hf       2.52817236      10.32146606       7.71951610       2.60947115       0.08961867      -2.89933808 
Hf       7.77826581      10.27038493       7.72310443      -3.53737213       0.40481931       5.14944281 
Hf       2.67353951       5.06331354       7.78096839       2.48633392      -1.52883147      -0.25900529 
Hf       4.89543119       5.21735465       5.22580035      -0.33144030      -2.83712029      -0.24618118 
Hf      10.36809696       5.11119682       5.17582498      -0.92985353      -2.61971383       0.72231994 
Hf       2.30499812       7.58753208       5.35057022       0.96468527       3.73037903       1.32240044 
Hf       5.04744144       5.27938384       0.03838939       2.13328532      -4.35518812      -5.61872558 
Hf       4.99661516       7.55377555       2.31668071       2.81823854      -0.73831293       0.94218289 
Hf       5.29718548       7.80388549       7.88426601      -2.85228462      -1.82143152       0.84058759 
Hf       8.03886089       7.47472853      10.31619727      -2.58603168       2.15602213      -1.12931808 
Hf       7.55185793       5.20423862       2.36948195       0.15454777      -5.33878910       0.87913159 
Hf       2.47413317       5.43632367       2.65916763       1.40794187      -4.50393423       1.44006012 
Hf      10.31294207       7.31772590       2.34200933      -1.52279956       4.02798217       2.49087745 
Hf      10.28853489       4.80643154       9.94417996      -1.87427760       4.45858123       4.09101350 
Hf       7.90402358       2.50189540       5.09816221       2.62832385       1.77489287       0.86827623 
Hf      10.14670669       7.96307116       7.79464604       3.11184173      -0.21866481       1.19988460 
Hf       5.32514678       9.81699867       0.16636726       1.95831696       2.84476337      -3.16831802 
Hf       2.20653578       7.86961428       0.12359829       1.08539539       2.22564112      -3.70124291 
O       1.25744935       9.44571243       1.17843635       0.52054084       0.20102547      -2.92053129 
O       1.68443609       7.18891565       1.83376176       1.96255639      -2.46927269       0.40601259 
O      10.27123521       1.42589824       5.98771857      -1.70358204       1.91147587       3.24822880 
O       1.60322235       1.17582451       3.67918360      -1.42200765      -0.66713959      -1.02038755 
O       3.36805393       3.45521686       1.44808679       1.70236250      -2.75886360      -0.46191743 
O       0.93585034       1.22905822       8.82010432       1.41668418      -0.08946824       0.49082856 
O       3.43097453       4.19338277       4.10411153       0.14657249       1.09548152      -1.13655420 
O       6.37247178       3.37337903       0.88939371      -1.38916101       3.64791523       3.17380470 
O       4.23225487       1.13207548       3.74832656       1.75863708       3.47557143      -0.83580091 
O       0.87534158       3.69007661       3.73548286      -0.53117118       1.34747526       2.66190982 
O       1.31289112       1.62506489       1.11979402      -2.41143457       0.57299089      -1.19962458 
O       1.35935047       6.35367260       4.26189881      -1.05980464      -2.89339169      -0.90729421 
O       3.58098887       0.55367443       0.41961047      -0.03031623       1.25391383      -0.83839709 
O       1.13395374       3.66865942       6.53941426      -1.31108965       3.57548112       3.10430060 
O       1.32045912       9.24053158       6.22618413      -0.71898629      -0.27676300       0.46788356 
O       6.69372132       1.75561410       3.50920874       1.68647350       1.98356143       3.40976487 
O       6.34715121       8.52781214       9.45198451       1.32413769      -0.36744896       0.01386444 
O       7.82256044       1.53008193       7.02255111       1.25196090       3.20039399      -3.48089256 
O       3.68518031       4.06493225       9.22794472       0.38776755      -3.26029724       0.20790063 
O       1.33162436       9.17522176       8.69174308      -2.12610992      -1.30605817       3.66895755 
O       1.09296831       4.41749300       1.65240219      -2.90451026       1.55268775      -3.83131481 
O       3.80478114       8.76435569       6.36280603       0.72579613       1.58768927      -1.23945537 
O       9.20978827       9.17979329       9.18183273      -0.77157493       0.15865986       1.26961307 
O       0.70920238       6.67086565       9.85354424      -0.88573531      -0.90298833      -0.16923977 
O       0.97384265       8.84874006       3.76741283      -1.23883506      -2.31107848       0.28387659 
O       3.77175871       6.82603670       3.81592932       1.11592252       0.14431021       1.69926673 
O       4.16003369       8.43687666       0.89152075      -4.64538525      -0.58359387      -0.19659654 
O       3.36443493       9.50293889       3.55987666       2.18944123      -4.97694839       1.94243162 
O       1.07376273       3.82217303       9.06154501       2.91256035      -2.62750185      -0.40054031 
O       9.03414293       3.41123580       0.89490919      -0.54461926       2.27150199      -2.81356811 
O       5.34077511       0.86915742       6.84257277      -0.26001692      -1.94463705      -4.09793381 
O       6.92003092       3.43047027       9.09072959      -0.52887520      -0.42135477      -2.07088345 
O       2.41103224       1.22743983       5.85263363       1.47087297      -5.25834826       3.70839491 
O       3.86152950       3.74807715       6.33369660      -0.39481474       0.90880908       2.17458491 
O       9.19446784       4.22019896       8.42278257      -0.17080095       0.99714500       2.41802867 
O       9.64377281       6.60507794       6.56922127      -0.16807186      -2.48801054      -5.80200122 
O       9.11399459       3.87066796       6.19387403      -1.82560575      -0.83228842       0.22534373 
O       6.36459104       0.81388206       9.13379193      -0.61664961      -0.02259583       1.71483592 
O       6.02457623       1.07500297       1.37140471       1.30065429      -1.87756972      -0.43092885 
O       8.85433602       0.69444252       1.01142866       0.47047953      -0.30986175       2.21067076 
O       6.44999063       8.71101606       1.40821256       1.71508010       4.61046097       2.22775321 
O       9.02033110       9.21376448       6.84824043       2.68132213      -0.62648561      -5.67683216 
O       1.57538509       6.57546017       7.29383198      -0.51705521       1.34481102      -1.51983978 
O       6.64569905       6.40833411       6.11215666       0.17557590       1.00025265      -2.84689356 
O       8.52105380       6.87584639       8.33748712      -1.64470387      -0.54646219       4.89011773 
O       6.37251469       3.79886763       6.41941122      -0.85646520      -1.28560078      -2.24161077 
O       6.62256267       8.82711846       7.05581521       0.00226830       0.91257393      -3.37986626 
O       5.91334910       5.79670204       8.65346159       1.98932548       1.11441122      -1.69080501 
O       3.74944582       6.30258812       9.58872426      -4.05761725       4.02821477      -0.96577142 
O       6.23235249       6.75577008       0.80846350       1.47069962      -4.68793480      -0.53976212 
O       8.80639580       5.97904837       1.09700701       2.00055655      -0.21689679      -1.34198815 
O       9.34430960       1.77661463       3.59999319      -2.54009934      -3.38881196       0.45866218 
O       8.85674272       9.13606090       3.57172461      -0.46315559      -0.03667941       1.46405343 
O       9.30800350       8.36954122       1.03828943       0.73901582       0.25668884       0.71164340 
O       5.92036103       4.32751560       3.40305395       0.79938877       0.60691259       0.80561241 
O       7.05646568       6.75144482       3.17975852      -1.99275058       4.13406640       3.28789245 
O       6.35381358       9.74285925       3.95839586      -0.27622685      -1.76060382       1.40722926 
O       8.92807992       1.17681859       9.27729107       2.63104648       1.39357688      -3.16073104 
O       9.33363115       6.31581876       4.04088228      -1.23437834       3.66778605      -2.57118703 
O       8.83501468       4.07628222       3.88915096      -2.29326879       0.45715169      -2.39346929 
O       4.24726235       5.65194361       1.64131901      -2.39670806       3.26703832       4.62232233 
O       3.89827979       9.09967515       8.78107440       0.24707759       0.62051244       0.85668471 
O       3.43107354       1.59795409       8.24976267      -0.69752867       0.56113831       2.78785405 
O       4.05765929       6.40924509       6.53855206      -1.40905176      -1.00829895       0.63722071 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016059218968725576 0.0036116227417615806 0.014969585667792563 0.0036116227417615806 -0.02798659059674128 -0.0020597089029749 0.014969585667792563 -0.0020597089029749 -0.017405704020369138" pbc="T T T" energy=-929.86512481 free_energy=-929.86552641 config_type=crystal 
Hf       0.04677690      10.43758018      10.16092209      -0.32698873      -1.97787670       2.26861360 
Hf       5.20675343       2.65277174       2.50817857      -1.37246324       2.28950694      -1.89004259 
Hf       9.99612099       2.47953070       8.02534558       0.20581028      -1.61501118      -5.47463433 
Hf       0.26209793      10.41694167       4.92124837       3.29378799      -2.52927648      -4.32454026 
Hf       7.51025897       5.13965724       7.35160991      -0.02566717      -0.40014062       2.51246720 
Hf       7.98759996       7.70933782       4.77065106      -1.14876980       1.09372372       1.25198989 
Hf       7.70870064       2.13258266       0.05184432      -5.09054433      -0.93940150      -1.98558827 
Hf       7.71843954       0.33998729       2.70592988      -0.23716489      -3.12048157      -0.89213492 
Hf       2.13156775       2.90062538       5.20262473       2.91071419      -2.72395512      -2.13213207 
Hf       5.27903804       2.40278655       7.88889051       0.77649675       1.27692004       1.11976461 
Hf       4.70643025      10.09630136       5.01883658      -1.70614213       0.85209993       1.85055088 
Hf       2.48939122       2.30176616      10.09801604       3.34975339       1.08001647       0.20739564 
Hf       3.04120727       0.43146606       2.36071934      -6.07409487      -0.68082750       0.15430374 
Hf      10.26513802       2.82705741       2.14736114       6.55586303      -1.32497398       5.03930841 
Hf       2.53480908      10.32131964       7.72450324       2.82861648      -0.27842159      -2.85545077 
Hf       7.77824561      10.29886305       7.71276571      -3.01908833      -2.01662353       4.48181949 
Hf       2.66653479       5.06956699       7.78694061       3.18224016      -0.94790534      -0.09561820 
Hf       4.88171984       5.22047536       5.20832964       0.05833065      -2.11023278       0.27320231 
Hf      10.34741836       5.11629920       5.16876385      -1.45914737      -2.08513989       0.37690469 
Hf       2.28149031       7.56985812       5.36119561       2.20383545       4.47458757       1.98693456 
Hf       5.04806250       5.25248393      10.46179143       0.70626969      -3.13029347      -4.26269014 
Hf       4.99150944       7.55869718       2.30679339       2.46844285      -0.08040246       1.28326873 
Hf       5.31781091       7.80033693       7.90766132      -3.52964261      -1.72693361       0.12517570 
Hf       8.06034706       7.46459589      10.31948858      -2.98644489       2.64329766      -0.77451557 
Hf       7.55837660       5.19634396       2.37057075      -0.29364053      -3.07180053       1.91334285 
Hf       2.49024181       5.44727341       2.66528031       0.84150680      -3.72463695       1.19467685 
Hf      10.32007081       7.29381649       2.35159815      -0.75802653       4.66815702       1.49143423 
Hf      10.27635580       4.78492633       9.95477751      -1.78174116       5.57707649       3.88689539 
Hf       7.90571325       2.48718693       5.10256524       2.36440773       1.99230265       1.32359626 
Hf      10.12105581       7.96706998       7.79382025       3.84370743      -1.01738514       0.67534931 
Hf       5.32117224       9.84045845       0.17995207       3.62844483       4.23299562      -5.01865208 
Hf       2.24576854       7.88098465       0.11943567       1.08879010       2.26432542      -4.47941723 
O       1.30972541       9.47746405       1.12114521       0.52368373       0.27913193      -2.43406541 
O       1.69968901       7.15294500       1.78668249       1.13061282      -1.76985740       1.19743857 
O      10.29658236       1.34051571       6.01389160      -2.17628668       3.59780962       3.97034751 
O       1.59846871       1.19552744       3.65121781      -0.64634786      -0.53131655      -0.38945526 
O       3.36770991       3.39298756       1.37962884       1.58331723      -2.54573096       0.19084189 
O       0.99190051       1.17851872       8.81314472       0.40628184       0.19681131       0.35941246 
O       3.40350295       4.28246447       4.07816216      -0.10629026      -0.56345928      -0.06513019 
O       6.30759725       3.30818475       0.79138727      -2.01934160       3.74733505       4.35312467 
O       4.29158451       1.11180381       3.65631401       1.28849841       3.13245424       0.13731889 
O       0.85474012       3.68189487       3.85066810      -0.60933336       1.24925444       0.84316166 
O       1.22241951       1.71166108       1.10107648      -1.71404830      -0.00853736      -1.38316967 
O       1.35918940       6.35313652       4.30461346      -2.41254211      -4.01056980      -2.21630950 
O       3.57139503       0.56132565       0.35810763      -0.48761324       1.66705062       0.30338919 
O       1.13154756       3.66945098       6.61314519      -0.89224549       2.69525009       1.69840114 
O       1.38585497       9.25243845       6.16917893      -1.45346273      -0.32741715       0.75479340 
O       6.68707518       1.83787717       3.57605124       2.06369464       0.36119989       2.32029574 
O       6.31878174       8.49993207       9.45832095       2.03013199      -0.21690154      -0.08778531 
O       7.86145566       1.54380930       7.03385513       1.13802737       3.45592604      -3.60067990 
O       3.75079146       4.08693325       9.26226966      -0.56209835      -3.79604187      -0.50266672 
O       1.36843576       9.14737863       8.67119416      -3.10852224      -1.91526428       3.67290450 
O       1.09567843       4.51775386       1.58632447      -3.21829249       0.48006163      -2.34065174 
O       3.75629657       8.66404459       6.38318215       1.84472299       3.02103617      -1.32199868 
O       9.15650495       9.23800671       9.15974989      -0.49842638      -0.33602313       0.64158920 
O       0.70854667       6.70590837       9.86847155      -1.11980784      -1.62482516      -0.40152860 
O       0.98178932       8.83414651       3.74476607      -1.34758374      -2.45201690      -0.09678674 
O       3.77067211       6.85010027       3.84101638       1.14678068      -0.20690498       1.04285147 
O       4.23666323       8.54428384       0.86368003      -6.58639593      -3.40084444       1.38500815 
O       3.42295187       9.38224445       3.46476350       1.89106623      -1.88687163       0.80851890 
O       1.01480631       3.71059288       9.11384451       3.05378795      -2.24113299      -0.34154568 
O       9.00795702       3.38936479       0.93648104      -1.25099299       2.69500398      -3.33828059 
O       5.29850810       0.89994343       6.80117298       0.22536829      -2.38365818      -4.23309851 
O       6.93007470       3.48679046       9.12650421      -0.13630276      -0.33476449      -2.62880760 
O       2.42716055       1.13604562       5.96796215       0.79363592      -1.88564101       0.92633640 
O       3.87276152       3.76172183       6.37575733      -1.28806365       0.46143325       1.31247109 
O       9.17416666       4.22616166       8.37736167       0.59766871       0.80753339       2.62561485 
O       9.58226944       6.49106670       6.56776019       0.53193306      -1.24045061      -4.93767689 
O       9.03440584       3.82985805       6.12197783      -0.96762135      -0.41717973       0.52500454 
O       6.38147554       0.82438416       9.10755798      -0.27720656       0.06294822       1.45979375 
O       6.05293712       1.03604411       1.39907808       1.34008169      -1.24464429       0.20192059 
O       8.86337882       0.69944715       1.01414160       0.15197111      -0.51630837       2.88052159 
O       6.50860721       8.75954385       1.34521346       2.18423596       3.43654415       2.91266664 
O       9.07802729       9.20205531       6.80152998       1.14590386       0.47776284      -5.00415066 
O       1.57841087       6.56282401       7.27129334      -1.07602828       1.33691886      -1.50326297 
O       6.61457163       6.48095331       6.08902898       0.83968899      -0.49166006      -2.03153772 
O       8.60533089       6.83040340       8.33290010      -2.91093755      -0.38859131       6.00534739 
O       6.29124036       3.77054411       6.46460343       0.58589865      -0.18921317      -1.92213177 
O       6.64978107       8.78954093       7.01368457       0.63419598       1.96750431      -2.75345458 
O       5.86324039       5.79563606       8.63344948       2.56900358       1.11886881      -1.68483607 
O       3.69435258       6.32187273       9.49433138      -3.02359701       3.16876880       0.06658640 
O       6.17633017       6.75696187       0.77845220       2.10100774      -4.27987096      -0.56157136 
O       8.86927976       5.94442063       1.06388860       0.91524605       0.07128504      -0.62115136 
O       9.34063262       1.81363934       3.54093483      -2.95530751      -3.52885672       1.39085832 
O       8.90220664       9.19820019       3.62011184      -1.14350534       0.41988383       1.17597926 
O       9.34800857       8.42040171       0.96961807       1.03558909      -0.69158584       1.64299231 
O       5.88998132       4.36873966       3.44699221       1.15886182      -0.16921384      -0.34835077 
O       6.93979320       6.80391429       3.15465722      -0.65363800       2.17112532       2.33538444 
O       6.25175913       9.67187654       3.97846867       1.51813627      -1.20276117       0.32025498 
O       8.96809001       1.19734123       9.31561557       2.54293913       1.66404458      -3.76371888 
O       9.24331737       6.40572823       4.05472467       0.44653743       2.01386093      -2.55102586 
O       8.84707572       4.15595083       3.82419500      -2.31864989       0.30110804      -2.52846526 
O       4.20791750       5.66827277       1.64904128      -1.36334496       2.68225339       2.36427570 
O       3.93097682       9.08498187       8.82152584       0.06796521       0.91533945       0.44889093 
O       3.42181524       1.57048073       8.24963226       0.02037522       1.63949200       3.04767443 
O       4.03904714       6.39549166       6.50333246      -1.60088449      -1.39123895       1.09990820 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03550644779824265 -0.007802123609666893 0.004295747098446239 -0.007802123609666893 -0.036017622121577275 0.01240651533167098 0.004295747098446239 0.01240651533167098 -0.03727394329982224" pbc="T T T" energy=-928.21695487 free_energy=-928.21697792 config_type=crystal 
Hf       0.04304068      10.43069792      10.20548497      -0.13915996      -2.10635266       1.55260960 
Hf       5.19948131       2.55054920       2.56233958       3.00749946       6.91630790      -3.01191570 
Hf      10.03936157       2.47191570       8.01547197       3.52112063       3.25203311      -5.75704867 
Hf       0.29524261      10.35558294       4.96157904      -1.88857698      -0.71526190      -1.19639672 
Hf       7.61156823       5.22186453       7.49079038      -0.05890219      -2.83686506      -1.00811066 
Hf       7.86865683       7.78365360       4.83915391      -3.03380535       2.85902872       0.42240373 
Hf       7.66038541       2.01209932       0.05598402      -1.86173838       1.46349142      -0.10467356 
Hf       7.78369965       0.32395181       2.82580963      -1.88848717      -4.28252347       0.20582044 
Hf       2.18749598       2.87738947       5.29895333       0.88398293      -1.00085963       2.88033346 
Hf       5.22739383       2.42441590       7.77052731       0.31652656       0.85861935      -0.76313956 
Hf       4.59986549      10.10315243       4.94470082       0.45240967      -3.78119996      -0.37831156 
Hf       2.53141364       2.41522804      10.08797738       1.57055064      -1.52700445      -0.44037948 
Hf       3.02251705       0.55548613       2.27825991      -3.59536175      -3.91002519      -2.21422734 
Hf      10.29369504       2.77038901       2.11405267      -1.77596498       1.24856692       3.08525918 
Hf       2.59577156      10.29802104       7.74756112       0.50916856      -1.52711102       2.09018644 
Hf       7.74981763      10.41204453       7.69342888      -0.74602402      -1.39537671      -0.94717430 
Hf       2.66622018       5.10168472       7.81406513      -0.97362487       0.83501683      -0.27549850 
Hf       4.82231662       5.22134258       5.13160078       2.22022210       0.04812946       1.48969805 
Hf      10.22352891       5.11653196       5.13157838      -2.24698420      -1.46788226       0.25936652 
Hf       2.19622249       7.52381270       5.42904370       2.32989292       0.11893430      -1.39303544 
Hf       5.05545729       5.09380022      10.21753177       1.89530688      -0.58318766       0.56565045 
Hf       4.98553439       7.58872020       2.28138177       1.23236304       0.54961367       2.39182513 
Hf       5.37695917       7.77210488       8.00781302      -2.27040067       1.94901266      -3.15948427 
Hf       8.13279640       7.45266609      10.34233922      -1.67229300       3.95991012       6.26814695 
Hf       7.57138682       5.14739313       2.38952692      -6.80719637       4.51346183      -4.91190624 
Hf       2.55704526       5.46969965       2.69818039      -1.91353381      -0.84148829      -0.84109397 
Hf      10.36154909       7.23278201       2.40375656       2.85934422       3.40857637      -4.20818999 
Hf      10.21055145       4.74712482      10.04689619       0.38522789       4.69510116       0.44607089 
Hf       7.94245714       2.42354417       5.14556008       1.57686633       1.21879273      -0.30004981 
Hf      10.03959225       7.97188632       7.79619514       2.40131844      -1.39810730       0.41140728 
Hf       5.34496411       9.99462390       0.18400166       0.90481331      -1.60015407      -1.49876150 
Hf       2.44083674       7.95619215       0.04253254      -4.94777766      -1.31164783      -3.33777123 
O       1.62519436       9.71495793       0.68086483      -0.23996103       0.81481640       1.77065615 
O       1.80320893       6.96283276       1.69995746       0.13158494       1.83441730      -0.05447768 
O      10.26415001       1.29614980       6.47539199       1.83280227      -1.39855486      -3.33775373 
O       1.57383557       1.24040682       3.53079455       0.02897955      -0.13248312       0.29253040 
O       3.52901247       2.84865107       1.27066345      -1.08367301       0.68207168       4.20825466 
O       1.21523551       0.90603654       8.83083950      -0.38290950      -0.59217130      -0.30974689 
O       3.29032492       4.33925847       4.15115270      -0.05699732      -3.55090429       0.69730512 
O       5.85010290       3.35566593       0.82235424       2.15097724       1.17847177      -0.26855774 
O       4.51377587       1.08786499       3.42157640      -3.40271714      -3.02112073       2.51429870 
O       0.71969903       3.61241856       4.32344478      -0.37741340      -2.65073959      -2.59351418 
O       0.75323347       1.95403106       0.76479412       1.32026033      -2.82187213       0.53185148 
O       1.13533580       5.99856438       4.21401940       3.02849832       2.60486222      -1.86949310 
O       3.50995540       0.74315735       0.27484377       2.18484640      -2.06844016       2.26459419 
O       1.11239619       3.89332697       6.94907065       0.44370297      -0.03250362      -2.32613546 
O       1.45940777       9.25179363       6.02143522      -0.18813818      -0.41788484       1.78083748 
O       6.64964051       2.11974408       3.83385342      -0.83380916      -1.90969672      -1.40006702 
O       6.46864852       8.38902980       9.48939583      -0.45690141       1.13109500      -0.59100761 
O       8.07429694       1.75563409       6.88252372      -2.24534426      -2.82302496       3.29023653 
O       3.89631068       3.77947554       9.26168021      -0.76035276       1.99427444      -0.90256244 
O       1.15999427       8.81496437       8.87878663      -0.74343675       0.92831273      -1.80350942 
O       0.79970790       4.88415386       1.18763928       2.44652452      -3.85998487       5.09230666 
O       3.81626989       8.63639844       6.34234566       0.66349005       1.56388828      -0.22780218 
O       8.87006305       9.42228352       9.01489140       1.48276530      -1.38390905      -0.67257217 
O       0.56301719       6.61847217       9.83504251       0.14936776      -1.46846564      -1.67002654 
O       0.84468126       8.49793553       3.62151494       0.19934136       1.13280550       1.50255463 
O       3.86650189       6.83874434       4.05916485      -0.68511632      -1.76391096      -0.50249542 
O       3.93404091       8.61866671       0.91456659       4.49975951       1.40336465      -1.15825050 
O       3.81735806       8.98367763       3.05549165      -2.35787830       5.22016544       2.20716308 
O       0.92368077       3.16834177       9.37948776      -1.31117546       4.30149916      -1.42624856 
O       8.77967392       3.52435951       0.82673121       0.44789642      -1.54163305       0.74139275 
O       5.17087750       0.87616119       6.23552982       1.73162204       2.49806805       2.98663829 
O       6.94791633       3.70061388       9.00242291      -1.65214288      -1.25128742       0.00134208 
O       2.55578220       0.87661113       6.17750761      -0.02782871       3.05533720      -3.40399975 
O       3.67772765       3.79325743       6.63461942       0.00255036      -2.12160564      -1.06204131 
O       9.20884495       4.27686684       8.42256110      -0.16950099      -1.07897036      -1.14178753 
O       9.18918785       6.08882740       6.35070554      -1.52713449       5.39830525       2.79524715 
O       8.73252766       3.90897509       5.93205063       0.38634012       1.20125103       0.36361913 
O       6.46638070       0.87942559       9.10738560      -0.42480794      -0.31512400       0.05961276 
O       6.30723250       0.89324684       1.57222419      -2.13277051       3.62636033      -1.94708201 
O       8.91629571       0.71824172       1.25719806       0.73334844       1.34678537      -2.35643003 
O       6.99322828       9.24364025       1.34192467      -1.54328208      -1.65277623      -0.77020036 
O       9.41027408       9.19485185       6.16596769      -0.38720041      -1.58333497       3.13722538 
O       1.38656218       6.64920889       6.98157845      -2.10556458       0.20837822       0.06558255 
O       6.57116808       6.60787399       5.82488501      -0.60236471      -2.28668176       1.23553224 
O       8.70377282       6.59656254       8.84843999       0.16319277      -0.37691298      -4.84767187 
O       6.08412535       3.71612342       6.45129179       0.99542840       1.01784876      -1.01378436 
O       6.84908432       8.91537040       6.66482006      -0.17172580       0.86623802       2.23791016 
O       5.89948568       5.91186604       8.39335182      -0.68145362      -0.03656420       1.05115955 
O       3.22346882       6.61397861       9.11299235       2.28427080      -1.31812121       0.92071469 
O       6.25585099       6.40353452       0.62174524       2.12390723       0.28291625       0.52712740 
O       9.09590544       5.87817817       0.93109900      -3.35926232       2.11910982       1.79511436 
O       9.04589469       1.64223930       3.47956480       2.74002637       2.60712308       1.88257009 
O       8.93450899       9.61191851       3.96440042      -0.54699671      -0.16821574      -0.41720851 
O       9.65478942       8.50406758       0.87278961      -0.12261295      -0.63632891       0.59681227 
O       5.90672075       4.47638809       3.50638360      -0.08035652      -0.66331077      -0.89559122 
O       6.54486181       7.08907742       3.26966694       3.91623443      -2.67527159       0.36477494 
O       6.10489710       9.23439608       4.06448116       1.66340990       1.71126068       1.02737078 
O       9.24824590       1.44541550       9.26163217      -4.08313659      -2.50505648       3.94656572 
O       9.12026835       6.77683038       3.71005428      -1.89198822      -1.43184609       2.26610634 
O       8.81265647       4.48835284       3.33077605       6.57192287      -4.73100588       5.09961302 
O       4.06876518       5.94079880       1.63114408       0.95164772      -1.85508123      -2.57852723 
O       4.09736701       9.15562401       8.99767021      -0.14233889       0.96848305      -1.34681012 
O       3.50726391       1.66487863       8.53496872       1.34180742      -2.17443733      -2.60824289 
O       3.72805929       6.16100074       6.52011354      -0.03251869       1.02011142      -0.04089567 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03033972289255365 -0.0086052169536189 0.011381139771528492 -0.0086052169536189 -0.05085473592750106 0.029972062004014484 0.011381139771528492 0.029972062004014484 -0.03111098988893697" pbc="T T T" energy=-930.56197803 free_energy=-930.56201966 config_type=crystal 
Hf       0.03739039      10.39171561      10.26762050      -0.95508465      -1.33822438       0.98964032 
Hf       5.23004418       2.56525139       2.56060502       0.14882677       2.03676810       1.19965330 
Hf      10.11482790       2.49313958       7.93074254       0.68398285      -1.05783328       0.14470938 
Hf       0.30604770      10.29173441       4.96710320      -0.61019212       0.17538894      -0.71708996 
Hf       7.68481991       5.24809084       7.58966446      -1.31863318      -2.17071246      -3.11571343 
Hf       7.71798510       7.89286138       4.91490083       0.80407674      -1.01956424       1.89050996 
Hf       7.58266247       1.93637259       0.05381186      -0.92531347       3.62411454       1.14893871 
Hf       7.81003292       0.25469812       2.91459650      -2.59290800       0.96151733      -3.13209256 
Hf       2.23975968       2.83723475       5.41388539      -5.01784401       0.03593713      -0.17810509 
Hf       5.19578454       2.45427115       7.66239178       2.40500528       1.19800245      -3.36822602 
Hf       4.51845562      10.06508006       4.89626576       4.21232385       0.54058325       1.19442855 
Hf       2.59114466       2.48003684      10.07577966      -0.56745594      -4.65947233       0.67960950 
Hf       2.94112895       0.59300934       2.18916220      -4.58337053      -2.94875528       1.69065101 
Hf      10.30430191       2.74389267       2.14353857      -0.79955438      -0.79896726       3.34668159 
Hf       2.65996265      10.25190382       7.79242553       1.36591395       0.41905111      -2.41438513 
Hf       7.70992351       0.00703109       7.67916544      -0.45585023      -3.18772690       3.93320885 
Hf       2.65625405       5.13178530       7.83527310      -3.86193907      -2.40561408      -0.19880543 
Hf       4.81000230       5.21414027       5.09542792       4.64916419      -3.32693510       2.77693065 
Hf      10.09659358       5.09420976       5.09825704       0.80338266      -0.15321571      -1.34290747 
Hf       2.16394965       7.50015260       5.46769454      -0.22116025       0.73981438      -1.32289765 
Hf       5.09036594       4.95661869      10.02708922       4.71998875       1.21868258       2.94711683 
Hf       4.99921193       7.62348662       2.30345436       1.12333482      -0.15246845       2.85038410 
Hf       5.38595236       7.77678369       8.04133908      -1.06088384       4.44998800      -2.91409776 
Hf       8.16418485       7.50100842      10.43186197      -1.06186570       2.64209071       0.79498760 
Hf       7.52032589       5.15404010       2.36749337       1.30071656       1.55778218       0.24356268 
Hf       2.57909618       5.46844716       2.71029764       1.04889453      -2.79710933      -2.51977319 
Hf      10.43304768       7.23689146       2.39229712      -0.11388557      -0.03816607      -0.39583770 
Hf      10.15864569       4.79015953      10.13892632      -2.63182426       0.29735236       1.64835594 
Hf       7.99397921       2.38814926       5.18733026      -1.70373165       2.98744864       0.32207646 
Hf      10.00996798       7.95129805       7.79857777      -2.02599972      -2.63368914      -3.33956972 
Hf       5.38885317      10.11024893       0.15011796       1.84364061      -0.46186200      -1.10400880 
Hf       2.53440833       8.00742796      10.39306439      -3.27037268       0.64490095       0.22849877 
O       1.85146659       9.97109222       0.54211703      -0.64796610      -2.79731703       1.03553926 
O       1.91487219       7.06869251       1.65094854       0.37197987       0.27560463      -0.63701336 
O      10.43147085       1.17995698       6.46946467      -0.15870513       0.41194451      -1.03140408 
O       1.54216076       1.22797957       3.47259787      -1.74645820      -1.18996061      -0.74606524 
O       3.45608796       2.49094116       1.73513834      -3.13240046       3.30835240      -1.69915928 
O       1.30584935       0.65665860       8.80376156      -1.11289795       2.60525491      -0.25621333 
O       3.29879343       3.86990874       4.30244581       3.11087271       3.53393294      -4.53517450 
O       5.73376638       3.65411914       0.92660231       0.47317173       0.20272074      -0.96974501 
O       4.25832104       0.85261203       3.55685308       1.56790232       7.29884833      -1.81081386 
O       0.54357204       3.25140279       4.33014565       0.91530600       1.56644720       1.26584820 
O       0.63183057       1.71329726       0.53708143       2.85681163       1.16117657       2.22993459 
O       1.23079037       5.93596405       3.88179981      -1.43494698       1.04867808       2.78419301 
O       3.78509212       0.69627965       0.46483545       2.09935732       1.14011341      -3.25138225 
O       1.12853162       4.09240749       6.85911931      -1.41893472      -0.45098636      -0.79307376 
O       1.46008210       9.19769991       6.19476638       2.09825314       0.95596094       1.08817724 
O       6.56616576       1.98764703       3.84731295       2.55782636      -1.79467318       1.42617755 
O       6.57586291       8.45808297       9.43275559      -1.71446055      -0.05705479      -0.37626636 
O       7.98665549       1.68233626       7.04985984       1.31542218       4.41642765      -2.14890275 
O       3.83282647       3.74493195       9.10460296      -1.41061118       2.22120987       1.05544034 
O       0.86697636       8.64958972       8.92342204       4.50673634       2.13313962       1.87101982 
O       0.79751826       4.60524114       1.51840636       1.30703400      -1.25045049       0.05702100 
O       4.00202526       8.89092345       6.30718216      -1.82136383      -3.01058080       2.49392565 
O       8.86794993       9.33068093       8.81208585       1.27268990      -0.30571844       1.50635483 
O       0.48250522       6.31368973       9.56192566       2.92835305       1.50928250      -0.67282337 
O       0.74771852       8.37028515       3.77043693       1.05163998       1.89128906       1.60668603 
O       3.85854632       6.59832044       4.11808056      -1.26153807       2.08789404      -3.75189716 
O       4.11698380       8.68724575       0.86542234       2.02097866      -1.32880718      -1.26445927 
O       3.86966582       9.35094402       3.00447437      -0.32850944      -4.54744839       0.93631224 
O       0.81398034       3.31551308       9.41216836       3.46312818       0.25378961      -1.04942665 
O       8.64016920       3.51103415       0.78657638       0.60040842       0.35140064       1.39825231 
O       5.32339243       1.12956757       6.09867274       0.53533186      -0.24947083       1.87188640 
O       6.71370245       3.67381716       8.84725961      -1.70512967      -0.89404774       1.05998860 
O       2.66617831       1.09137305       5.76046168       1.13508190      -5.79213787       2.53122105 
O       3.49059377       3.54639609       6.75087075       2.72921775       0.96117373       1.93519864 
O       9.26201680       4.16033072       8.38345561      -0.98560901      -0.09717406      -0.07132109 
O       8.73614541       6.57801382       6.48096158       1.61367423       0.83346754      -1.05407874 
O       8.60564320       4.20162836       5.92036784      -0.50932115      -2.41266577       0.23393710 
O       6.45705887       0.86880439       9.14024037      -1.20306768      -0.74201897      -0.21716578 
O       6.28269324       1.24918252       1.47741089      -0.25444117      -1.33508879      -0.77425497 
O       9.01948637       0.89460295       1.26973113      -1.03747727      -0.62006855       2.01023792 
O       7.20396762       9.43178223       1.31428448      -1.71429423      -1.56373118      -0.34521356 
O       9.60060810       8.96965020       6.03521921      -0.91758703      -0.73933279       2.43183116 
O       0.89931891       6.75574873       6.71752858       0.91573862      -1.40778414      -0.62062582 
O       6.45506464       6.33961136       5.75656490      -1.67999528       1.04264306       0.76684840 
O       8.67627205       6.42586007       8.85042229      -0.65835756       2.18241671       1.60335501 
O       6.11300243       3.83943965       6.24907026      -0.79371458      -0.45903131       0.18823339 
O       6.96019056       9.15908549       6.64442186      -2.27950702      -3.26519370      -0.44657270 
O       5.89104018       6.00533925       8.33745164      -0.99397167      -1.51028634       1.55591524 
O       3.14658474       6.71075715       8.98210582       2.33345474      -0.07467039       0.62304667 
O       6.67529076       6.09841569       0.58275257      -1.62281856       0.96314233      -0.04899938 
O       8.85619618       6.09412089       1.08819604       3.62286838      -0.81307522       1.16342479 
O       9.08064771       1.73929980       3.72674934       1.04226008      -0.10812396      -1.12069697 
O       8.84417323       9.92611928       4.20498361       0.98474524      -2.12952027       0.25638299 
O       9.89763771       8.45185924       0.92625839      -0.67709131       1.05134501      -0.69141828 
O       5.94091330       4.44119151       3.38144167      -1.33859000      -0.37397671       0.62320355 
O       6.74831156       6.91564841       3.35797686      -2.72792468      -0.73447955      -3.41072714 
O       6.31438709       9.10828633       4.21932210      -2.04878294       2.42124672      -1.13923096 
O       9.05651663       1.43640986       9.49708922       3.12884672      -0.62741590      -4.82587247 
O       8.93257976       6.74837236       3.61290534       1.66085584      -0.62443546       1.66148639 
O       9.34247530       4.26118481       3.35266652      -3.67289940       1.71265824      -1.58438058 
O       4.14279931       5.96526208       1.22168049      -0.31361154       0.02038791       0.79009356 
O       4.18482833       9.36595925       8.93448115      -1.10573954      -0.93263892      -0.70993208 
O       3.73621194       1.49743053       8.54573865      -2.35334082      -1.37855469       0.24888980 
O       3.47064320       6.11927357       6.49754402       1.35878400       1.68521251      -2.20169087 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.022751365708856063 0.011975338043829232 -0.0016213114873084038 0.011975338043829232 -0.029523317813975682 0.001827267451036819 -0.0016213114873084038 0.001827267451036819 -0.01919631762236235" pbc="T T T" energy=-926.35784303 free_energy=-926.3579111 config_type=crystal 
Hf       0.05403992      10.20827337      10.24513816      -0.84600859      -0.46266984       4.35851219 
Hf       4.91824384       2.07601127       2.16673104       4.89975754       4.78199412       3.15660459 
Hf      10.39555451       2.29325745       8.01791081       0.26544933       3.41565330      -2.72405335 
Hf      10.25932321       0.01791458       5.12805912       0.70421831      -0.78871013      -0.99535300 
Hf       8.06479132       4.79897542       7.64202226      -1.36562462      -1.32296233       1.10228220 
Hf       7.58961213       7.89068023       5.02656116       1.93262817       0.71518639       1.72674965 
Hf       7.89955012       2.49073748       0.00830252      -1.78053794       1.12126720      -0.83231494 
Hf       7.63659626      10.22612693       2.38952682       1.82405814       4.80380070       1.49978281 
Hf       2.52807230       2.40678066       5.40609969       2.14641304       3.86107886      -1.67747755 
Hf       5.33228504       2.79582805       7.67793231      -3.03693603      -0.91526906      -1.04863052 
Hf       4.99474569      10.30086963       5.22969681      -2.86785906       0.37177878      -1.63569933 
Hf       2.24956547       2.62800358       0.19910187       4.14207918      -3.09175761      -0.74964645 
Hf       2.56683199      10.38288863       2.79628511       1.11251697      -0.30736130      -2.57663586 
Hf      10.24440835       2.80301477       2.28111059      -1.73710515      -3.61217518       0.59124596 
Hf       2.29110686      10.10804852       7.58079739       2.56884580       0.35160981      -0.20828995 
Hf       7.40944456      10.36304430       7.86543429       1.01516522      -1.40596489      -1.88312522 
Hf       2.76885205       4.95664684       7.81540250       1.04565593      -2.11683284      -1.57882619 
Hf       5.19349893       5.33171306       4.75248739      -2.14437829      -2.39381145       2.46308806 
Hf       9.98508804       5.06255086       5.01058388       0.47165478       1.79044393       1.96694919 
Hf       2.19470165       7.72270148       5.10427217      -1.59439869      -0.78357627       0.40336308 
Hf       5.38360490       5.63551597      10.23337279      -2.85564503      -4.40399803      -5.72586413 
Hf       5.29846027       7.89212603       2.35166639      -1.56828241       0.77264519       1.75569537 
Hf       5.00014908       7.41938473       7.36195637       0.21319215       2.53255504      -1.66523164 
Hf       7.83831699       7.93140651      10.39420699       2.72884697      -2.07838038       0.25832923 
Hf       7.71818647       5.08875655       2.29704224      -0.85978877      -0.53615952       0.34763107 
Hf       2.55042696       5.49106451       2.73395073       0.13943705      -2.29646952      -0.50574585 
Hf      10.19810693       7.91853089       2.67891139       0.58670696      -2.87558453       1.76488213 
Hf      10.42482073       5.44893272      10.33494757      -2.93804985      -2.45479451       6.54338980 
Hf       7.72270473       2.02779066       5.21470691      -1.86133222       2.25034163      -1.78162697 
Hf      10.19229044       7.42568988       7.83758373      -0.47131277      -4.46446455      -7.59716716 
Hf       4.79918098       0.22205686      10.06360883       0.22451350      -0.57804478      -0.33338144 
Hf       2.53171590       7.53206917      10.46032072       1.71137166      -1.94847049       3.83233152 
O       1.67260363       9.08777540       0.93590069      -2.08150136       1.59961040       2.38075247 
O       1.13922714       6.45913715       1.57457678       0.10067370       2.18481740      -2.52966856 
O       1.76746749       0.69043658       5.98699315      -3.51812169      -0.65706264      -0.21218257 
O       1.52477588       1.32918730       3.55876421      -0.92737003       2.24003583       1.26215446 
O       3.54689627       3.44394864       1.69407138      -0.10865944      -0.88982086      -1.43633132 
O       0.68723089       0.64759686       8.74644038       3.88633507       0.11696964      -3.17772896 
O       2.96971465       4.15898016       3.98218009      -0.03445249      -0.68374122       1.49571138 
O       6.53591740       3.51678721       1.52503858       0.25138091       1.01035011      -1.43829337 
O       4.36695936       0.97191509       3.70739681      -2.86744512       1.88914366      -0.04762846 
O       0.31822303       4.16413519       3.56722237       2.48818658      -1.81725654      -2.41643326 
O       0.80216735       1.32180057       1.00637150       0.67434728       1.59284534      -0.40098226 
O       0.81727269       6.51469833       4.08415625       2.71050922       1.71175474      -1.67202090 
O       3.78228833       0.83449661       1.29680247      -2.41233340      -1.00511557      -2.24905184 
O       1.16319348       3.44573470       6.36289814       0.37780858      -0.30236621       0.70800970 
O       0.66496478       9.01176661       6.16221482       1.27679691      -1.98639198       2.25488784 
O       6.77086370       1.07361631       3.74119803      -0.27847329       1.09529172       0.57604726 
O       6.80308840       9.24513513       9.48364696      -0.98561190       3.12940053      -1.88206432 
O       9.27082599       1.10649284       6.57727846      -0.73393194       0.38151949      -0.96028524 
O       4.69087213       4.37722513       8.63775423      -4.13703207       0.80810704       0.55898189 
O       2.19804989       8.74344506       9.18086942      -0.45931987       2.64529253      -5.37224737 
O       1.46199208       4.25621922       0.63230584      -2.14510558       0.84059082       1.02500000 
O       3.38306403       8.88256912       6.26732530       0.49679182       0.33366987       0.47965866 
O      10.22063375       8.55103559       9.23679483      -1.49034997       2.87041723       4.12562068 
O       0.90541694       5.81279173       8.83784390       4.42646092       1.95238006      -2.12600044 
O       1.23478658       9.20935015       3.67428908      -1.03978347      -1.81993977       0.78521215 
O       3.72345207       6.73764985       3.88468105      -0.29246873      -0.16365785      -0.90812950 
O       4.34659004       8.96192447       0.84386438       0.55841685      -2.02722668      -1.07327585 
O       3.89314036       9.13578888       3.58718832       0.31139093      -1.53986335       0.22616791 
O       2.10371049       3.04633739       8.70375430      -3.48804604       2.45461426      -0.62568525 
O       9.07936821       3.99657834       1.05457431       1.02381410       0.62444068       0.35264018 
O       6.11171289       1.04943980       6.14553672       5.11797650       1.85850166       1.90406111 
O       6.72524217       4.23995182       9.19461290       3.64579595      -0.84650247       0.15512200 
O       3.89032757       1.53966154       6.55196229      -0.06120863      -1.17463613      -0.73407820 
O       4.02243467       3.86837817       6.30661740      -1.75623322       0.41903736       0.50974170 
O       9.57670152       3.76381738       9.14121864      -0.42023719      -1.21446814      -0.95744059 
O       8.68995744       6.41087425       6.76241445       1.97247687       0.22982475      -0.24050013 
O       9.29886306       3.61859529       6.41407838      -2.27673208       0.59310219       1.05431127 
O       6.89337801       1.63068472       8.45065050      -2.32103649       1.60370214       1.80005756 
O       6.62824572       1.00400948       1.08234261      -5.31647177      -1.35633726      -2.59453777 
O       8.61306478       1.58428806       1.48187755       3.59850114       1.09565863       0.07566134 
O       7.22897545       8.36597318       1.78998908      -2.97710998      -1.20045833      -0.68475149 
O       8.61735571       9.13169796       6.55075481      -0.91149697      -0.41848705       0.45372011 
O       0.83012728       6.34248360       6.49891907       2.18115533       0.48697211      -0.68921038 
O       6.60086216       6.46436449       6.08952874      -3.95610605      -0.14650614      -0.90839799 
O       9.05733969       6.29262210       9.22961575      -3.05598192       1.76291575      -0.62066131 
O       6.51419951       3.59893474       6.37402392       3.75033190       1.09413082       0.14485205 
O       6.02092792       9.13404375       6.33979672       1.72822942      -4.06259847       2.70356608 
O       6.10527398       6.95581695       8.78842638       1.60320742      -0.51271784       1.59043639 
O       3.67140324       6.47835979       9.03069567      -0.94677651       1.26658696      -0.04414526 
O       6.91520401       6.28086940       0.49884013       2.11205843       0.57340170       3.26392696 
O       9.09662551       6.67667240       1.55623466       0.53602665      -0.18473471      -1.60202806 
O       9.08464726       1.11124523       3.52503762       3.08313844       0.44257817       4.23496744 
O       9.08771616       9.02629820       4.05086264       0.38785789       1.07181661      -1.63431781 
O       8.90702496       9.54385744       0.91223232       2.67608279      -0.85128665      -0.50072796 
O       5.77747563       3.80834886       3.93651229      -0.14219437      -1.91383618      -0.91658084 
O       6.18350401       6.18630791       3.20056804       0.53052892       2.30440807      -0.57189525 
O       6.46052706       9.18372324       3.74731772      -1.76166669      -2.08869759       1.69852594 
O       8.87761672       0.96727846       9.28761974       1.37669489      -0.64879858       0.33853426 
O       8.99321695       6.60122220       4.04679422      -2.17363541       1.25572388       0.05942632 
O       8.44861409       4.22633728       3.88969269      -0.89010471      -2.24459423       0.48190578 
O       4.00486432       6.01435641       1.11894751      -1.18160253       2.28633970       2.16814278 
O       4.19964700      10.45049369       8.19376966       1.20101577      -4.43104989       1.08380766 
O       3.70655962       1.77696986       9.30616658       2.69965395       0.30104581       3.77307184 
O       3.77958858       6.26943298       6.43806199      -1.40642597       0.01644668      -0.78525618 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01431843095959374 0.011100225467726413 -0.009665423985694949 0.011100225467726413 -0.02814385797084276 -0.00826391834589926 -0.009665423985694949 -0.00826391834589926 -0.02464461417511155" pbc="T T T" energy=-931.62937254 free_energy=-931.63074206 config_type=crystal 
Hf       9.99764330      10.19736184       9.98190339       2.20603287       4.04052945       2.84212026 
Hf       5.12116232       2.56683398       2.42576122      -1.33255220      -2.95317859       1.48342496 
Hf      10.24667606       3.02457952       7.95527667       1.15518975      -4.19874061      -3.56081713 
Hf      10.39901160       0.02743945       5.44538374       1.81026816       0.04538898       5.52586090 
Hf       7.68811498       5.28628379       7.95506630      -0.10528708      -1.79966154      -2.63084815 
Hf       8.24529811       7.41220983       5.38720213      -0.62100821      -0.23514915      -2.29919970 
Hf       7.76100432       2.64635146       0.01431211       0.16506466      -3.53886796      -0.12138381 
Hf       8.21981584      10.16202784       2.48996717      -2.76516026       1.37160384       1.24436240 
Hf       2.47700143       2.35688619       4.96765624       1.21165306      -1.07579914       1.19943883 
Hf       5.00451003       2.60371603       7.73301833      -1.37258916      -2.48600292       0.82723180 
Hf       5.06616851      10.25932656       4.99410935       1.09235311      -0.19978148      -1.14103308 
Hf       2.07477543       2.59194470      10.35872343       2.95221711       0.11277609       0.90500648 
Hf       2.59327778       0.00071045       2.24876532       0.12360033      -5.35754520      -0.78728044 
Hf       0.05704540       2.50715623       2.61557633       1.18771207      -1.30143985       0.78258221 
Hf       2.67122417      10.08639960       7.32817431      -0.63976686      -1.11121463       2.35286588 
Hf       7.21735180      10.13078184       7.67374541       2.88000615       2.36553097      -1.39557249 
Hf       2.50776191       5.51866577       7.47632557      -4.08065448      -2.01868373       1.94847206 
Hf       5.29505425       5.08679917       5.35676747      -2.67314439       0.54438877      -3.11718889 
Hf       0.13043701       5.14893385       5.06955139       1.22203170      -0.24904389       1.75885768 
Hf       2.64199700       7.62249180       4.46529643      -0.11287257       2.03246910       3.56179939 
Hf       5.03714395       4.91251705      10.10366988      -3.62073087      -0.37250246       1.73677546 
Hf       5.47061010       7.88842539       2.38738418      -1.44631147      -1.47854327       1.09462889 
Hf       5.11336625       7.76110281       7.28261211      -1.68221916      -2.11764921      -2.30933625 
Hf       7.23511890       7.66709320      10.25375163       1.83343165       0.18278934      -2.79179784 
Hf       7.40618549       5.03725510       2.56354529       4.45001392      -0.11247265      -3.35114049 
Hf       2.66619527       4.86235266       2.53669310       0.44984343       1.04356133       0.64619032 
Hf      10.40534648       7.89216245       2.68664371       1.44767972      -0.31019782       1.32523156 
Hf      10.24730257       5.03094399       0.07646867       1.11460321       1.21500487       0.15715426 
Hf       7.73099145       2.47899095       5.09364511      -1.15537396      -0.49731775       1.93190966 
Hf      10.05042068       7.79130962       8.13843402       2.16288570      -2.84468460      -1.16216313 
Hf       4.98269146       0.10988317      10.24279614       0.25630038      -2.16599173      -2.10500440 
Hf       2.29980009       7.53074122       0.02704560       1.61504596       0.57455527      -2.69084669 
O       1.23974986       8.57406897       1.54831384       1.01693652      -0.19773228      -3.18972655 
O       1.51095254       6.43435905       3.39132668      -1.94551592      -0.39059077      -0.47644718 
O       3.71995070       0.79277844       6.14161368      -0.07797354       1.70301758      -2.64679616 
O       0.86217751       1.34204503       4.24386827      -0.42995056       0.07607100      -0.88615207 
O       1.22488838       3.93140353       1.38389235      -1.94729933      -2.64935115       1.17360492 
O       1.29272401       0.94242636       9.81862146      -0.77887223      -1.98834993      -1.65388960 
O       4.10765989       3.65108279       4.02483258       1.18792442       0.82868769      -2.12124812 
O       3.69885315       3.70314094       1.10496195       1.20257571       1.43570499       2.99203859 
O       3.36203032       1.43959787       3.27209081       0.83856981       1.11064361       3.34312892 
O       1.60217835       4.00197785       4.15470786       1.01810343      -0.09136933      -1.93240840 
O       1.68257886       1.48993003       1.66525217      -3.13168372       2.51576445      -0.69604110 
O       4.07082200       6.86589764       1.30553087      -1.88780879      -0.68719846      -0.11194642 
O       4.30111943       1.10830778       1.19718728      -0.61489348       1.13976805       0.55206797 
O       8.17470600       1.21112689       3.79717274       2.77270411      -1.20988077      -0.36594654 
O       1.27918357       9.15794844       6.35975200      -2.12793789       0.77269629      -0.99061349 
O       5.69537782       1.37573992       4.06055874       0.34553641       1.05897008      -0.66660798 
O       5.78176730       8.91807130       8.53281708       2.66756053       2.87156528       4.60064406 
O       1.11906861       1.43195503       6.84960637       0.74456659       0.28751034      -0.62364813 
O       3.25484869       5.65421028       9.34886439       2.39179027       0.43164666       1.34647180 
O       0.78963010       8.70611432       9.44255467      -1.73843468       1.59938798      -0.37948964 
O       9.11895651       3.32047678       1.61007803      -2.73871902      -0.33078128      -2.95587775 
O       3.83166002       8.69450636       6.12413470       1.50311355       2.21766526      -2.77848446 
O       8.51113467       9.01806915       9.11154089       0.29830105       0.61213351      -0.35850579 
O       1.27976245       6.02462124       0.81459000       0.16458583       1.88951867       0.77677518 
O       1.47073345       9.19009559       3.62800692       1.15944307      -0.73807832       1.79896376 
O       4.08446741       6.28072821       4.05806590      -1.30287391       0.31903293      -0.89670506 
O       3.12970475       9.35915360       0.29148074       2.84769318       2.05158586       1.27262832 
O       3.91874320       9.08721200       3.63284921       1.87888489       0.16029499      -1.94026732 
O       1.23228191       3.86344074       9.15507464      -1.44657781      -0.72238847       1.64022007 
O       6.43941338       3.88058626       1.09761939      -0.73527895      -0.44618454       2.12723399 
O       6.26956569       1.13520885       6.53179298       0.45845205      -0.31771515       0.23511505 
O       6.26738485       3.55991633       9.19413146       1.87880952       0.48892588      -0.75324612 
O       3.12492588       3.64616044       6.37379167       2.62512100       0.70844865       2.58606397 
O       0.64492735       4.48693969       7.02007052       0.09200764      -0.94059488      -2.99206319 
O       9.00076192       4.27465847       8.91361009      -0.60030472      -1.55541720       2.40445380 
O       8.67012640       3.25238724       6.57266057       0.54982428       0.94836536       2.04930902 
O       6.14939048       4.01136687       6.77314104      -0.13701583      -0.47038069       0.60105900 
O       6.72383666       1.02639334       9.19403318      -0.32322578      -0.01634900       0.89537334 
O       6.84898687       1.03439778       1.50794801       0.61351284       1.72854839      -1.40677179 
O       9.52866983       1.83694380       9.51241959      -2.62268280      -0.28430538       1.47386742 
O       6.09249015       8.95627440       0.61047429      -0.93996588       1.29530021       2.64210035 
O       9.27870348       8.60230929       6.42468168       1.38281851       0.21982929       1.36427117 
O       0.87467268       6.33608802       8.64752799      -1.08527771       1.03003589       1.10167744 
O       8.75900558       6.43222174       9.55004328      -0.55092781       1.97110977      -2.46019072 
O       8.96390374       5.68863277       1.42791926       0.41568243       0.93015169       0.72452540 
O       9.27306597       6.02607625       6.47220577      -3.21394573       0.59404744       3.03822405 
O       6.88159788       8.64274619       6.16737633      -3.19655165       5.01792889       2.31042990 
O       5.94802132       6.13254314       8.75709780       2.05138565       1.75153289      -0.25897878 
O       4.07141554       6.26163148       6.63862965       1.40317991      -3.20535606      -1.60471687 
O       6.51439732       6.41320319       0.93923951      -0.70701097      -1.60840700       1.45532887 
O       9.22302728       6.24196737       4.03411903       0.00513450       1.43657496      -1.74701757 
O       9.61897011       0.54701207       1.49919701       1.71300883       1.46078180      -1.57159812 
O       9.73069449       9.51523008       3.97343977      -4.23739634      -3.26710324      -3.52161962 
O       9.12291096       8.62951032       1.36363031      -2.68589754      -0.71577382      -1.21555159 
O       6.89321170       3.96513546       4.17127586      -1.06569699       0.14003236      -0.62017750 
O       6.38569205       6.30102112       3.39548647      -1.18048528       2.79962903       0.96808077 
O       6.55003505       9.07231504       3.68573471       0.90931453       0.24287772      -1.48194838 
O       9.13224325       0.50733879       7.13304143      -1.26720814      -0.30192729      -0.73187699 
O       1.46475798       6.53134493       6.15958226       0.46297013       1.55776199      -3.89233048 
O       9.79514138       3.45592323       4.28614251      -2.22301781      -0.12752132      -0.46663143 
O       3.14749949       8.18576804       8.18984232       0.31978937      -0.06390624       2.29026228 
O       4.04928717       0.63220872       8.51646448       1.11938054       0.89544271       1.33765498 
O       3.89132468       3.11163611       9.39323888       1.02333957      -0.21607604      -2.54359769 
O       6.52400006       6.54486590       5.89448356       0.08648019      -2.87399114       2.06311284 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.022362923690716234 0.0029609393860904353 0.0031576403090152996 0.0029609393860904353 -0.04293038181749007 -0.00048386290870535217 0.0031576403090152996 -0.00048386290870535217 -0.04595689092207231" pbc="T T T" energy=-921.40957457 free_energy=-921.41949429 config_type=crystal 
Hf      10.21554728       9.98890653      10.37830684      -0.70332737      -0.19861644      -0.33830858 
Hf       4.87676315       2.97274953       1.97907521      -1.61591161      -0.63353983       3.67535327 
Hf      10.10217206       2.58106665       7.68914904       2.01301839      -2.41691530      -0.15029505 
Hf       0.10565053      10.06089253       5.27823570       0.10635141      -0.00796291       0.39713903 
Hf       7.91372146       5.18030838       7.62241205      -0.73346132      -0.29239257      -2.18966214 
Hf       8.07757087       8.05987179       5.34818309      -0.76021666      -1.37322785       0.43210453 
Hf       7.57471015       2.46003792      10.26922790       0.66969919      -1.59548352       1.18733988 
Hf       7.70225922       9.82325715       2.09297343       2.34497158       2.12805521       1.72221219 
Hf       2.20320585       2.33387249       4.91179875       2.98866794      -0.62530673       2.77992174 
Hf       4.97353698       2.40219176       7.62932916       1.81806560       3.59710770      -0.85769903 
Hf       4.80506832       0.25828363       4.57688308      -1.13335650      -0.58131320       5.22629804 
Hf       2.09670002       2.15934944       0.26647741      -0.91990617       2.47181263      -3.83374355 
Hf       2.25304694       0.00186591       2.69434432      -0.19946960      -1.59094322      -2.22166799 
Hf      10.24455676       2.63198566       2.98336781      -2.98316642      -1.69257980      -1.67924119 
Hf       2.95306669       0.25268892       7.80983061      -1.28287791      -2.46078165      -2.43826821 
Hf       7.55230997       0.00223223       8.11369224       4.81670732      -1.70476691      -0.47973199 
Hf       2.30380937       4.80759214       7.45383747      -0.71034877      -1.95523152       4.25923354 
Hf       4.55190235       5.19623595       4.59004683       3.29293964       0.19294259       1.06277616 
Hf      10.44998451       4.95391349       4.80121718      -1.25516516       7.25073609       2.99267969 
Hf       2.53341164       7.38071578       5.72238428      -4.29761839       5.02433596      -3.56265464 
Hf       5.44828717       5.36668116      10.28439237       0.45934331      -3.91402185       0.30177589 
Hf       5.23385064       8.22263606       2.84377005      -5.95720301      -5.73240927       4.22731454 
Hf       5.28094895       7.38650589       7.57155951      -2.40393473       3.43570130      -1.85950375 
Hf       7.69846951       7.77471421      10.30490152       1.74614031       0.83836491      -0.99756876 
Hf       7.61013311       5.25811746       2.50872595       2.98055337      -3.20799300       8.90072552 
Hf       2.56876259       5.43919382       1.96642629      -3.25745648       1.90588682       1.06410854 
Hf      10.45627721       8.00177036       2.54956308       3.73399725      -4.43317689       2.62428386 
Hf       9.84654559       4.81166935       0.19656099       3.57129679       1.91861324       0.36918527 
Hf       7.71738204       2.70583945       5.10580223      -2.29411267      -0.64138966       2.59115420 
Hf      10.42211323       7.41617652       8.12765237       0.12056124      -1.43425268      -1.47332686 
Hf       5.00741000       0.01649075       0.14017518      -1.30186591       0.52402763      -1.57928181 
Hf       3.12969104       7.67438479      10.06799155      -7.35239709       4.07782181       1.64360049 
O       0.74355872       9.58049657       1.65089851       1.26859685       0.20860244      -0.46832445 
O       1.42496842       6.99471971       1.08152760       2.04789313       0.26245666       1.33084733 
O       2.71241401       0.38923390       5.71252606       2.29249495       2.22928558      -3.09967671 
O       1.03311368       1.22566811       3.80343079      -2.94936879      -2.69131231       6.79675207 
O       3.64184418       4.08654223       0.74308670       1.79553311      -2.39246007      -0.10762988 
O       1.09636669       0.66992199       9.67127044       4.09247407       1.31366723       0.85183774 
O       3.55431210       4.13410787       3.35083347      -1.28177226      -1.49583700      -1.88599488 
O       6.38524536       4.02851228       1.34268033      -1.44663954      -1.87098786      -1.79880206 
O       3.74296902       1.35061549       3.38051781       0.53097737       3.47294337       1.20686599 
O       1.15973838       4.08061700       3.65175138       0.23695830      -3.70678220      -1.13984449 
O       1.46630813       1.86360152       2.11255244       0.76966983       2.67108811      -7.89130756 
O       3.37360499       6.65961386       3.77276587       3.42831611       0.81819269      -0.16590243 
O       3.71175295       1.39313600       1.06364610       1.63027586      -0.62630365      -0.77571940 
O       8.93599750       1.51945759       4.25424205       3.13368210      -0.44755516      -0.96900118 
O       0.73631025       8.33722264       6.28744343      -0.67738719       2.46835514       1.05473248 
O       6.52751984       1.05650229       4.78984439       0.32008614       2.42133417      -0.22220908 
O       7.12845932       9.70344438      10.17460497      -2.36738052       1.00594811       3.33450787 
O       0.88975155       0.82153641       6.56832065      -3.03644836       2.42161645       3.08384361 
O       4.26939962       4.34047967       8.22736406      -0.06839814       0.72352410       2.01763303 
O       1.00590240       8.25332233       9.43782834       1.50972091       2.30575241       1.03178699 
O       1.14454344       4.44817969       1.05703680      -0.61075991      -3.45516100      -0.67571592 
O       3.77606764       8.93754388       6.67579910      -0.07220470      -2.53115670      -1.39066561 
O       8.99266475       9.15840404       9.00495123       0.80755540      -4.56652610      -0.78978236 
O       1.06936012       5.46985978       9.24410840      -0.72435735       0.41115506      -2.83229551 
O       1.56858248       9.17951091       3.96981134      -2.54035472      -0.97971461       1.14301120 
O       3.79617280       6.11862749       6.31571420       1.33503070      -3.35719594      -0.56349753 
O       3.52189441       9.18676451       1.04566077       2.57813977      -0.35333178       1.25400050 
O       3.81026668       9.47469658       3.34965791       2.74855292      -1.17395432       1.72043786 
O       1.49620389       2.89990478       8.53202834       0.96519451       0.70446777       1.11728407 
O       8.92216306       3.28052416       1.57929369      -0.71072482       0.54013621      -2.05173229 
O       4.71907812       0.62783290       6.75120378       1.45227372       1.92050466       0.75685623 
O       6.82898147       4.07595944       9.33128431       0.06265712       0.47109069      -0.79794143 
O       3.96231441       3.21136696       5.99192964      -1.60628984      -0.11313726      -1.01735915 
O       1.16561515       3.49996855       6.23306880       0.54562578       0.59838764      -1.45404280 
O       9.26391987       3.07510520       9.52153387       1.12552930       4.85839236      -0.94326868 
O       9.34388499       4.11442136       6.38293746      -1.82109982      -0.26892405       3.27072737 
O       6.66947072       4.14874453       6.49985977       0.10543943      -1.37740259       0.38417223 
O       6.27330495       1.24693626       8.93215619       0.23390884       2.56017809       1.70664755 
O       6.44791947       1.27480577       1.27698682      -1.07581801      -0.05217977       0.52738611 
O       9.25878526       0.95166613       9.29812257      -2.80462572       0.15999325       0.52929946 
O       6.47525656       8.09939802       1.58590132       2.65506454       1.92545453      -4.84301937 
O       8.73787694       9.77476693       6.36754785       0.03511846      -2.10508639      -1.03657388 
O       0.92728973       6.11866570       6.54794369       2.14253405      -1.72311655       0.52308195 
O       8.72106979       6.83625548       6.95271236       1.60563472       0.58008722       0.79715876 
O       8.99842367       6.45358451       9.44394835       0.15543775      -1.93174653      -0.05502084 
O       8.95159234       6.55085016       4.40005830       0.00146855      -0.18501781      -0.51264702 
O       6.36664985       8.93456740       8.03637130      -0.86884435       0.10237498      -1.76874478 
O       6.21865799       6.91787143       9.26958334      -1.70433120      -2.61811267       0.67940633 
O       3.36073617       7.20316884       8.22832015      -0.87994844      -1.91179335       1.61060404 
O       7.25065828       5.98809587       0.97650483      -1.57183663       4.31164123      -8.34145177 
O       9.69083135       5.89411212       1.87900515      -2.06498477      -0.20016844       0.42083962 
O       9.21545477       0.41352637       1.64660957      -0.82740587       1.23952714      -0.97277368 
O       9.03593851       9.09928613       3.80866452       0.96189240       0.48019096      -0.77090964 
O       8.95089540       8.35240156       1.34730702      -1.29546746       0.47734544      -1.98143470 
O       5.84818340       3.97426879       3.77650262       3.09806968      -3.62140232      -0.87848244 
O       6.22632239       6.29498129       3.52223854      -2.02434588       2.16456222      -0.00450193 
O       6.47414610       9.12377065       4.00032095      -0.27978056       0.64497746       0.37609452 
O       8.43269217       1.58909602       7.16111648      -1.41283161       2.79469933      -2.39630060 
O       1.18327707       6.65148277       3.94280991      -2.37474255      -0.99571935       0.35865764 
O       8.83348400       3.95873444       4.04042711       0.68052581       1.03321299      -1.91450162 
O       3.94248022       6.36897659       0.74858941       3.05220432       0.22817784       0.85058792 
O       3.71780660       9.60827857       9.37445152       0.48955112      -0.75158166      -2.79687631 
O       3.93279229       1.53566230       9.04017617      -1.86451618       0.83613954       0.54581487 
O       6.56470175       6.79014276       6.33249916      -0.43316522      -0.78325798      -1.82511897 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.06469661045125145 -0.011738073946310327 0.016481024799135553 -0.011738073946310327 -0.07092935449479754 0.0019666624634846253 0.016481024799135553 0.0019666624634846253 -0.06812967088203813" pbc="T T T" energy=-917.72207261 free_energy=-917.72299718 config_type=crystal 
Hf      10.25682712       9.97950066      10.36737092       2.70709298      -0.67887974      -3.18899259 
Hf       4.75706813       3.09407948       2.03160737       0.34121084      -5.47811055       6.30934702 
Hf      10.14332286       2.55954825       7.56272195       1.15616662      -1.58999037       1.55129561 
Hf       0.12756184      10.11689016       5.25404433      -3.97850710      -3.12962558       6.02994647 
Hf       7.96169046       5.21890825       7.61015446      -3.32363025      -0.24634444       1.50235176 
Hf       8.03687954       7.91791338       5.26807145      -2.01542141       1.87024648       2.74959773 
Hf       7.53741363       2.34757944      10.22508984       3.61759126       3.79741080       2.30992543 
Hf       7.75904944       9.86717416       2.02311960       0.03190032       2.15795805       4.52893057 
Hf       2.20682506       2.31286703       4.86956889       5.35322564       1.50708927       0.34129372 
Hf       5.07142578       2.46821893       7.57584604       1.11090954       4.70336984       1.03315331 
Hf       4.84961351       0.23377901       4.70657646       2.27081295       3.11122955       1.46547537 
Hf       2.21448496       2.19820018       0.34295048       2.39820884       4.06685728      -8.64623395 
Hf       2.20532421      10.42880301       2.71302607       3.34865365       0.00917208       2.93251874 
Hf      10.17772065       2.58528620       2.91827401      -0.36981381       0.44680149      -6.14435252 
Hf       2.95654357       0.24720945       7.80605692      -1.46400024       2.38106627      -2.46452845 
Hf       7.59971139      10.34903351       8.07352265       3.17170343       2.98621003      -3.01428540 
Hf       2.28171062       4.75990133       7.41252853       2.07032974      -2.24411490       5.34413605 
Hf       4.56132224       5.10247753       4.66904194       2.47356825      -3.32624088      -4.61030530 
Hf      10.44120431       5.12472260       4.75777146      -0.85072224       0.21044006      -0.17470195 
Hf       2.52676790       7.52162129       5.59508525      -2.50608094       0.93179020      -1.38456282 
Hf       5.35346130       5.31160404      10.41865383      -0.76218384      -1.52704102      -5.31399346 
Hf       5.26720662       8.18536467       2.85881856      -3.06547951      -5.16653780      -1.47934537 
Hf       5.12731006       7.42951779       7.58323581       0.13711158      -1.07994017      -1.10936616 
Hf       7.60560218       7.84913224      10.26346186      -2.01569580      -4.31180007      -2.39647369 
Hf       7.70488728       5.34304618       2.68089180      -9.39409639      -0.64499459       0.01335702 
Hf       2.59354048       5.43615286       1.82689290       0.10983305      -0.41203678       1.99198557 
Hf      10.37289173       7.95470469       2.63654044       1.62281905      -2.23108021       1.91631533 
Hf       9.86595296       4.76818690       0.20551797       1.67034080      -0.10734801      -1.15511740 
Hf       7.61642978       2.80869897       5.14545185       0.39052813      -0.51284080      -0.21371394 
Hf      10.40245142       7.47711231       8.11224706       3.47565529      -2.45387322       2.28413148 
Hf       5.00117780       0.02254137       0.14759822      -0.20822850       2.64124367      -1.69795398 
Hf       3.17487614       7.67157242      10.17458446       0.90373400       4.90034043      -2.02509300 
O       0.90608248       9.37188888       1.75575435       0.03697018       0.63885778      -1.48075117 
O       2.08116985       7.19614602       1.05805485      -5.41202475      -2.38585708       3.17960911 
O       3.12194762       0.35790322       5.40923715      -4.58979441       0.73083958       4.08443100 
O       1.00831674       0.90447383       4.26243855       3.38747973       3.27085538      -4.84753207 
O       3.60098026       3.89741800       0.73536191      -0.61238157       2.55937058      -1.23347029 
O       1.46373836       0.66328894       9.87894204      -2.07166147      -0.31756851       0.95040085 
O       3.28732059       3.85681793       3.45129131       1.43966144       2.85835361      -0.34317478 
O       6.03089960       4.27432669       1.32831055       3.99191360      -2.22660405       1.76672764 
O       3.70922411       1.53668108       3.60235520       0.86892330      -0.15407251      -1.59442803 
O       0.93218048       3.96513337       3.33285003      -0.04090285       1.89048897       2.19615182 
O       1.64443992       1.93566613       2.00817585      -3.50591860      -2.55599687       5.14270958 
O       3.31778048       6.71307636       3.44190951       1.56203538      -0.90907963       3.10651695 
O       3.91765670       1.46883216       1.13283511      -0.76240037      -2.36712885      -0.57557408 
O       9.36714580       1.40195963       3.95584012      -4.42975916      -1.59098840       4.07067512 
O       0.56153643       8.47124034       6.61619347       1.96967114       0.76867630      -1.71905277 
O       6.79475092       1.16754794       4.90482774      -3.41328112      -1.21449456      -0.72871665 
O       7.05064114       9.82591713       0.34810759      -0.51799978      -0.80602207      -6.34271332 
O       0.78391807       0.74578227       7.05225241      -0.30436010       0.53392683      -1.35092012 
O       4.48592468       4.27228892       8.29889604      -1.36800830       0.96776065       0.68075786 
O       1.13914131       8.67932546       9.25652874       0.08151506      -0.77375899       1.44126953 
O       1.21589006       4.34798770       0.84542635       0.56028049      -0.54308353      -0.01235310 
O       3.83181062       8.64519894       6.77511057      -1.82046693       0.87834356      -2.38543835 
O       9.12457519       8.53151571       9.17540669      -0.82422034       4.62716795      -1.61123621 
O       1.05104249       5.47576241       8.92096877      -0.93023892       0.81746377      -1.74868841 
O       1.45621421       8.90137981       4.39910525       0.99357526       0.76821094      -2.39213905 
O       4.00109220       5.92087042       6.23889052      -1.40063415       2.00518798       1.03438668 
O       3.97355709       9.10847451       1.03106702       0.50942131      -0.12101808       1.68603917 
O       3.84599306       9.38470348       3.49875594      -0.92372073       0.52569131      -0.27600858 
O       1.76988560       2.81903444       8.31059296      -1.18547690       1.58320212      -1.12155919 
O       9.04213199       3.23494574       1.40662661      -1.60813938      -1.34408538      -1.14706281 
O       4.90508845       0.63324990       6.98913777       0.01204016      -1.33995663      -0.93492100 
O       7.03261771       4.26742685       9.30980840       0.08491213      -2.50609722      -0.64148196 
O       3.97877470       3.05907957       5.88859769      -1.37892480       0.59936646       0.36348823 
O       1.03060054       3.80805811       5.73781240       1.32575219      -4.23330283       3.30189661 
O       9.42953357       3.43559577       9.33284890      -0.34719075      -2.21167286      -2.26283778 
O       9.02654269       3.97434017       6.67235614       2.85675295       0.88181927      -1.74072471 
O       6.67668329       3.89940155       6.48626271      -1.80515922       0.65565514       0.82278670 
O       6.43211279       1.26642161       9.24288302      -2.69993480      -1.46841215      -3.39971024 
O       6.28517760       1.08706914       1.42709725       0.90693969       2.68066914       1.61586952 
O       8.77387438       0.92672643       9.39544107       2.45325276      -1.06039490       0.07824784 
O       6.37518106       7.95036656       1.28547595      -0.82037695       2.38538981       5.39649009 
O       8.65676807       9.68635276       6.10879785      -0.89981918      -1.60753509       1.63953723 
O       1.35840391       5.97094167       6.23898586      -0.27994174       2.73096345      -0.25280013 
O       8.96348592       6.84778525       6.89595060       0.07910965      -0.35183025       0.53580081 
O       8.88386023       6.20057763       9.82793679       1.58059590       1.33982758      -4.01399303 
O       8.86821922       6.40868295       4.55889932      -0.80166099       0.83074049      -2.81128102 
O       6.27697325       9.04433533       8.04724076      -0.38666967      -0.94208817       0.93982347 
O       5.77122752       6.89810224       9.34961408       0.20369509       2.52933443      -1.62019673 
O       3.29243668       6.91236997       8.42082455      -0.34360981      -1.79512469      -0.39340033 
O       7.06347071       6.07955319       0.47973293       1.17416815      -1.25961730       3.86384665 
O       9.29212304       5.51609506       1.97059372       6.80589996       4.37394773      -1.54482419 
O       9.28789197       0.27346129       1.37085754       0.28109174       2.74418103       1.46738584 
O       9.40157102       9.24977271       3.75583041      -1.84776984      -2.01841012      -0.98966750 
O       8.98655092       8.27395414       1.19212457       0.89984111       0.16945738       1.68979581 
O       6.03977818       3.58932656       3.62590646      -0.12005081       0.80696523       1.72582687 
O       6.05621828       6.29027924       3.67781912      -0.37158543       1.62026660       0.29731533 
O       6.27669694       9.33486721       4.11248459       2.67997640      -2.44675905      -0.95735429 
O       8.39776081       1.62905262       6.78564899       0.47765463      -0.07839308       1.86293077 
O       0.80951755       6.63609641       4.02712091       0.60431347       1.36215140      -3.06228282 
O       8.57026797       4.22560820       3.90440105       3.00156214      -4.33393216       2.46936916 
O       4.39522742       6.55718723       1.13187840      -2.04870427      -1.12668742      -0.26296754 
O       3.52906135       9.80550061       9.26045462       2.18072793      -3.91928630       2.07923118 
O       3.98463462       1.77421107       9.13742412      -0.93853350      -1.17643339      -0.80699211 
O       6.68278132       6.84232231       6.42153408      -0.72832497      -0.49925800      -0.09538013 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017745503979332566 -0.01842207434362782 0.0023361743526946867 -0.01842207434362782 -0.039704437378593416 0.010732836153490825 0.0023361743526946867 0.010732836153490825 -0.031880807438380517" pbc="T T T" energy=-930.31797921 free_energy=-930.31798596 config_type=crystal 
Hf      10.40258769       0.17646264      10.08270033      -1.42629502      -2.80264684       2.23737919 
Hf       5.03767114       2.53483472       2.62715488      -0.86127710       0.13928742      -1.55651747 
Hf      10.29714795       2.80514224       7.32877161       0.56016082       0.20959700       2.95074975 
Hf       0.36034896       0.04608299       5.54085673      -4.81498496      -0.05167874       0.41764612 
Hf       7.53359263       5.58538120       7.81989731       1.28527901      -0.81698014      -4.17295784 
Hf       7.85114782       7.64365614       5.27069783       0.55953377       4.55382819      -0.69363107 
Hf       7.75843979       2.61140733      10.09167750      -0.69639955       1.26003003       3.57851802 
Hf       7.80364393      10.28613185       2.49941407       0.63883621      -2.44500185      -4.92851430 
Hf       2.51142361       2.43486723       4.94849210       3.22375025       2.16838058       1.12133799 
Hf       4.93244281       2.23725366       7.40285138       1.29142130      -2.56748355      -2.29071791 
Hf       5.37181860      10.05421677       4.84096425      -4.60210218       0.42445004       5.25860061 
Hf       2.62286164       2.52205926      10.18795565      -0.97033275       1.63420440       0.53537403 
Hf       2.33635716      10.33360790       2.31346361       1.04634893       0.58908755       0.91400237 
Hf       9.93852612       2.64184210       2.70799769       3.40934581       0.50788457      -0.40160569 
Hf       2.50703838      10.01071317       7.99605665       0.17305402       1.11847804      -0.36803336 
Hf       8.01071331       0.16899993       7.76906361      -2.81852943      -1.06888275       0.93175920 
Hf       2.71367560       5.16518232       7.80972992      -2.15434301      -1.57272553      -0.76500252 
Hf       5.11903129       4.86435170       4.93838793      -1.21485747       3.47877852       1.35983964 
Hf      10.21514412       5.14662522       5.06839467      -1.32901229      -1.55607530       0.47420673 
Hf       1.97146336       7.62988848       5.04821604      -0.35494214       0.30115137      -0.37969367 
Hf       5.27424295       4.92576360       0.09878565       2.94469800       3.64314380      -1.13760837 
Hf       5.19132050       7.78653348       2.46200316       2.02224072      -3.16397029       1.16774265 
Hf       5.04073920       7.79233332       7.46939903       1.57277720       2.73189441      -2.14750398 
Hf       7.49362902       8.28751708      10.14692156       4.08444760      -1.42795231      -1.72308912 
Hf       7.58217098       5.01673905       2.20956051       0.81088012       2.33360771       4.51950802 
Hf       2.28943258       5.27952513       2.52307134      -1.99562618      -2.21278380       3.28683650 
Hf      10.15872251       7.68681738       2.35164493      -1.15550881       1.99686361       1.88341399 
Hf      10.27901452       5.00402973       0.21760067       1.58850971      -0.26271922      -1.20551530 
Hf       7.50732069       2.54512635       5.25527756       2.01269715      -0.68386874      -1.79918931 
Hf      10.40450301       7.66501420       7.83488585      -0.35025050       0.30808071       2.55369910 
Hf       5.22521539      10.38779968       0.07876150      -3.03403284       1.17665857       0.68149878 
Hf       2.99513653       7.30694184      10.40472322      -3.19434189       1.22010332      -0.21568009 
O       1.50085350       8.54121118       2.36677581       0.54993525       0.92992961      -2.15514238 
O       1.25027101       6.36889297       1.01824006       0.45340459       0.16056972      -0.38306034 
O       3.78881296       0.93749846       6.18680914      -0.01268167       1.66171888       0.70345516 
O       1.16903163       1.24851959       4.25360288      -0.58026139      -0.52534128      -3.12014693 
O       4.16169698       3.58174401       0.68476642      -1.97644875      -2.84909425       2.32498200 
O       1.82807474       0.83648916       9.56012066      -0.46236176      -0.09190972      -0.04048707 
O       3.49832013       3.95331483       3.80206506       0.47580233      -1.76497283      -4.53062877 
O       6.64504951       3.78502451       1.08527817      -1.57503203      -1.63672615       0.28716616 
O       3.81225003       1.44822704       3.64593489      -0.36680417      -0.01124327       0.18272632 
O       0.64829485       4.07118329       3.63051504       0.18706492      -3.32113559       0.60084102 
O       0.40531584       1.06719435       1.57031652       1.04010681      -1.12656745      -0.39338779 
O       1.02437189       6.10846555       4.03519914      -0.85560946       4.88483217      -4.15115399 
O       3.54004552       1.01701102       1.04098835      -0.86791765      -0.28498648      -0.13849246 
O       9.30775650       1.77411981       5.91139255       0.41855092       1.91969138      -0.08014222 
O       0.87480958       9.10257775       6.66025638       3.61665020      -1.87569391       1.52047133 
O       6.42620609       0.47702595       3.64627284      -0.37723180       1.93680208       0.63510334 
O       6.54346133       9.68737876       9.07565261       0.26829163       0.11135010       0.79438300 
O       1.19105691       1.25360951       7.10754702       1.40814886      -0.97617301      -2.01401492 
O       3.62029867       3.26307805       8.40658801      -0.46086731       1.22169584       1.72881472 
O       1.01302444       9.05551815       9.12125227       1.61473758      -0.01648313       0.52434271 
O       1.35658541       3.62032473       1.48427085       0.77670892       0.43145966      -1.86717403 
O       3.43743301       8.92883213       6.32722608       0.60139600      -1.93005273       2.04555813 
O       9.07745259       9.11406901       8.91340757      -1.63983994       1.64365825       0.47317936 
O       1.56582390       6.52823950       8.66813594       2.24405384       0.52072252       1.53744359 
O       0.10930219       8.60412204       4.30257203       1.80965134       0.47477065       1.54802747 
O       3.08961763       6.01099990       4.37910832       3.07771156       3.43304111       0.65380732 
O       4.07351433       8.83259981       1.37819748      -3.47111856       1.81483703      -2.81776946 
O       3.40161422       9.50105162       3.73981084       1.04390491      -1.33272838       1.36683243 
O       1.27291254       3.81711022       9.30525602       0.95033510       0.57551668      -0.72457580 
O       8.96402933       3.68781152       1.39055765       0.15449446       0.09360177       1.58679991 
O       6.57763557       0.97399200       6.22427897      -1.03527073       2.15725798      -0.51252366 
O       6.77263846       4.61827575       9.21770479      -1.53642819      -2.19915843       1.55250876 
O       3.97925405       3.55713138       5.86558021       0.39609768      -1.69042310       4.33855113 
O       1.16115288       3.99371478       6.33906765       1.58781590      -1.73072251      -0.21643047 
O       9.38369894       3.45250884       9.74420803       1.67594410       1.08656770      -3.98554710 
O       9.19537756       4.41095812       6.86754460      -1.59553966       1.46972854       1.14146173 
O       6.57683302       3.76496133       6.38831279      -1.76307486       1.93525295       1.71312280 
O       7.18232750       2.03601971       8.41354133      -1.99896802      -1.03305524      -2.09620504 
O       5.99855810       1.23972662       1.56250339      -0.30867537      -0.52288085      -2.58821820 
O       8.24414348       1.03911385       0.59697122       1.33276033      -2.20629442      -0.44101716 
O       6.37073188       9.10573739       1.11936229       1.74539174      -1.20191249       1.78942055 
O       9.06276631      10.05302823       6.37891540       0.78251959      -3.00415707      -3.04229864 
O       0.92354167       6.42439606       6.40807894      -0.15883399       1.67272515      -0.37257541 
O       8.34924076       7.32695740       7.39609073       2.93155410       0.10044441      -3.65355981 
O       9.64587557       6.82408674       9.47905481      -1.38211889      -3.81681347       2.06335536 
O       6.35576867       6.72110791       5.90857295      -1.95138335      -4.07158637       2.34557699 
O       6.47141463       9.16077118       6.32131352      -1.10075567      -1.47079903       1.91429086 
O       6.42960185       7.08653916       8.68753661      -0.74240507       0.25558119       1.36519689 
O       3.97798471       5.86288590       9.42014570      -1.32333174       0.93398857      -1.01356908 
O       6.64068563       6.37867865       0.79628336      -0.29787189       0.96869495       1.66566847 
O       9.31163057       5.96437078       1.74946793      -0.50046817       0.35773899      -0.83208271 
O       8.51784162       1.39027904       3.14344059       1.81033284       2.35977368       3.04368203 
O       8.43772129       8.50620132       3.23869861      -1.11782540       1.62966060       0.59268952 
O       9.16740937       8.98728941       1.00194094       0.63295019      -0.19281872      -0.35328975 
O       6.36342113       3.72467295       3.83841103      -0.99687377      -3.40163490      -1.58186437 
O       5.76969841       6.00486137       3.45963810       0.38788441       0.27200567      -3.21139029 
O       6.05968039       8.36883025       4.11254184      -0.35546035       0.31095679      -1.55227182 
O       9.65398803       1.03874712       8.58429759      -0.31200825       2.64219339      -0.78283948 
O       8.63470951       6.32798258       4.14868456       1.20622242      -0.92672526       0.89650216 
O       8.68978883       4.00834821       4.28224918       0.31606095      -2.56973230      -1.47785603 
O       3.71096579       6.30801474       1.49908984       2.55506679      -0.21845100       0.08873509 
O       3.92901734       8.90290128       9.38074161      -0.99773172      -2.10455305      -1.83365183 
O       4.48347350       0.70537468       8.83344119      -0.59813727       2.40640878      -1.16879985 
O       4.23523637       6.14843921       6.87285996      -1.58699072      -1.34176445       0.08802269 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.002143622653965018 0.0015884439187043217 -0.0017909310014567901 0.0015884439187043217 -0.02112443216347799 -0.003178633231745133 -0.0017909310014567901 -0.003178633231745133 -0.03464753744333254" pbc="T T T" energy=-929.17011437 free_energy=-929.17209219 config_type=crystal 
Hf      10.26463564       0.07108863      10.19583513       0.15985356       1.30031373       0.02944811 
Hf       5.00964757       2.60177214       2.30122129       1.51401051      -0.91694853       3.45780399 
Hf       0.06837809       2.60133173       7.62776782      -3.49132615       4.26579902      -6.21474153 
Hf       0.00670988      10.12939925       5.32933032       0.72485151       2.88179344      -2.66352952 
Hf       7.48846364       5.42202517       7.74468145       4.13937867      -2.31515115      -0.56981004 
Hf       7.61865992       7.93810959       5.08504608       2.60025670       2.33940067      -1.21482711 
Hf       7.92667568       2.68002698      10.00045389      -1.00869428      -2.92920597       0.60748406 
Hf       7.83245089       0.02093062       2.52920684      -3.20440802       2.76366592      -1.22403251 
Hf       2.67903049       2.71301246       5.05239980      -2.64386126      -3.10911182      -3.22615556 
Hf       4.99003297       2.13891261       7.31982960       1.37572941       1.11130962       2.20414571 
Hf       4.79409922      10.06619984       5.03372632       2.88079934       5.34755461      -2.97799045 
Hf       2.53596926       2.75905129       9.99441458       1.34281975      -1.75859370       1.09909006 
Hf       2.39721717      10.07622342       2.27942742      -2.16519743       0.91377735       0.30126409 
Hf       0.00830995       2.75841672       2.71766019      -1.92897129      -5.32210022       5.14958340 
Hf       2.48243664      10.13172725       7.82233835      -0.93669216      -0.84045596      -1.13753966 
Hf       7.74393133      10.25639445       7.82135442      -1.38736026       3.86153138       3.45347047 
Hf       2.57684668       5.02654316       7.90114465       3.56832865       1.09165515      -1.98062651 
Hf       5.33661229       4.95414521       5.19593515      -0.82035835       2.14708443       0.87664255 
Hf      10.29226327       5.00889872       5.13431100      -0.11713192       1.19715769       1.40642706 
Hf       2.29746790       7.82846547       4.83911801      -0.54562884      -0.44018636       2.43889796 
Hf       5.33985754       4.87220250       0.04586666      -1.64560120       2.30721044       0.17837170 
Hf       5.04997866       7.51924703       2.69562099       0.77849335       0.79409180       0.88474507 
Hf       5.45682842       7.63835846       7.57110496      -3.24728232       2.52046416      -0.56947120 
Hf       7.34865174       8.20135912       0.06508898       1.19134621       0.92861434      -0.43028551 
Hf       7.84186367       5.22953626       2.46824457       0.56513067       0.96523565       0.64800645 
Hf       2.23918132       5.33777320       2.70580806       2.75693283      -1.29406499       1.51201929 
Hf      10.01090983       7.96443962       2.52360470       4.05724414      -2.29902992       0.87296371 
Hf      10.40539829       4.83321926      10.45322223      -1.36274143       0.40203283       0.66307357 
Hf       7.88457226       2.69320026       4.89223083      -0.50774185      -1.67851033       0.92863221 
Hf      10.07562748       7.77447212       7.89820595       2.57220156      -3.77589031      -1.28814185 
Hf       4.71970170       0.01648395       0.11408388       3.73225406       0.04719190      -0.39728603 
Hf       2.73897419       7.40502604      10.18727912      -1.14151451       0.33064903       0.65887275 
O       1.27526712       8.37497663       1.45032938       2.04039302      -1.78804918      -0.19739821 
O       1.84354106       5.77196037       0.81945029      -2.31529963       0.48914706       0.49866276 
O       3.51731576       0.86199519       6.52916827      -0.12070016       1.76363956      -1.19417377 
O       0.87694270       1.19328286       4.00397899       1.45469854       0.86216985      -0.30460318 
O       4.26314795       3.31769916       0.61455172      -1.18015366      -0.20498257       0.43163625 
O       0.98485403       1.80710613       8.95791822       5.59508303      -4.77620260       6.55843371 
O       3.69303446       3.82198035       3.36713175      -1.46595974      -0.32705676      -0.73699711 
O       6.65393375       3.89637368       1.50213634      -0.90665567       0.41256876      -0.02993860 
O       3.76182587       0.93596034       3.71864128      -1.11811052       1.55984803      -0.42737930 
O       1.37755015       3.95023547       4.09806552      -1.44919496      -0.26576820      -1.73262857 
O       0.43812089       0.13243291       1.55960290       0.06032861       1.41600219       0.15510816 
O       1.14321444       6.34411769       4.18161678       1.59538954      -0.01793249      -6.26453702 
O       2.78571802       1.05511719       0.80639622       1.68173359      -0.56199734       1.19336297 
O       9.76994431       2.96038989       5.46707431      -0.08444425      -3.04981742       0.61063066 
O       1.19615677       9.04448835       6.52556193       1.09977097      -0.83968539       0.15078924 
O       6.23759302       0.39942777       3.67431650       2.25465022       1.92664624      -1.61017602 
O       6.41630056       9.62546303       9.49033392      -0.12297241      -0.05612652      -0.61943926 
O       0.64732442       0.83395372       6.71189525       1.63732179       0.77836123       0.57496045 
O       4.14311916       3.55977336       8.59421976      -2.37214549      -0.40822419       0.64936217 
O       1.35378685       9.42498244       9.42980359       0.68071336      -0.94886590      -1.18840754 
O       1.04877677       3.30975175       1.36257103       6.24604913       2.12128650      -4.19537868 
O       3.88997046       8.86238986       6.12640995      -3.35947009      -3.93999549       2.81146393 
O       9.10932311       9.25592191       9.01668018      -0.82899833      -1.23848304      -0.25226078 
O       1.59610366       6.65538792       8.19019869      -0.08858882       2.41813654       2.95701023 
O       1.12855318       9.15479048       3.78032854      -0.39290601      -1.38988144       1.32244893 
O       3.69354427       6.29553736       4.15853891      -0.64132462       1.41780272      -0.85661629 
O       4.13890568       8.92687233       1.17767221      -2.72423856      -0.06946854      -1.12698328 
O       3.68699672       8.89006794       3.45867102      -1.14334539      -1.00167075       1.76633343 
O       1.34559820       4.17408143       9.15192044       0.42887689      -0.48487795       0.93282198 
O       9.31975391       3.34150275       1.03536433      -2.96489199       1.05395537       0.75563482 
O       6.14160583       1.62089045       5.91577035       2.00864811      -1.72874155      -1.32932633 
O       6.82027149       4.41666240       9.35416740       1.56768507      -1.88104963       0.21749110 
O       3.95650263       3.67602207       5.93197757       1.09910984      -0.15659123       1.74996511 
O       1.58349095       3.72332480       6.69835628       0.53966032      -0.38247524      -1.42372779 
O       9.55868605       3.33484876       9.22695660      -1.21009882       2.31859258       0.44076295 
O       9.38152270       4.53473380       6.79774101      -3.22525074       2.55976487       2.97591020 
O       6.26031064       3.88368383       6.73181641       2.14571497       2.11656760       0.00178450 
O       6.50490490       1.61234605       8.66020496       0.35196982       0.11771091      -0.13818475 
O       6.15197919       1.46262445       1.14003994      -1.86026860      -1.95511423      -1.00236619 
O       8.54238685       0.82766280       0.52242550      -0.25981550       0.37368340       0.14756234 
O       6.46792541       9.15932266       1.59236420       0.72562954      -1.10321591       0.06416105 
O       8.71584925       9.67630615       6.25606733       1.52919665      -1.35991859      -1.84584053 
O       0.54648709       6.85163001       6.04993207      -1.82335401       0.52579086       2.48915367 
O       8.36418744       7.15758289       7.26948038       3.09288288       4.92676158       1.29804906 
O       9.34657355       5.98464255       8.95442513       1.29721724       0.68525546       2.76531214 
O       7.03754478       6.51399113       6.03772795      -7.73913813      -5.62281430       1.73847063 
O       6.27911411       9.42633394       6.74168132      -0.87997795      -1.97126340      -0.34177230 
O       6.36612340       6.85474151       9.09977929       0.21889589      -0.50339652      -0.70943625 
O       3.46820803       5.60959925       9.74413540       2.11262134       0.99847684      -1.91176715 
O       6.96546438       6.55752225       1.02816495      -0.23862925      -2.02191184       2.24487016 
O       9.72973213       5.84097302       1.76279328      -0.69647433       1.41338582      -0.29006046 
O       8.89550084       1.36650820       3.84787520      -1.97509200      -0.41067158      -1.93870111 
O       8.88404244       9.26477601       3.61267655       0.62558957      -2.23475449       1.70958016 
O       9.10893994       8.61998168       1.04896893      -1.62420786       0.75258941      -1.92885278 
O       6.01443857       3.52405578       4.08355539       3.16862538      -1.46588902      -2.06907131 
O       6.27941418       6.26016862       3.92461704       1.16702785      -0.01536687      -4.35442110 
O       6.05140780       8.73658593       4.23552713       0.39340756      -3.01882431       0.04052584 
O       9.17341958       1.31615071       8.21868026      -3.78527580      -2.80699134       0.45476614 
O       8.90345285       6.38132399       4.24486455      -0.80430857       1.98131795      -1.27741741 
O       9.18248938       3.99730333       3.60700565      -3.21661921       1.51218590      -1.35201658 
O       4.36379710       6.07055980       1.51201193      -0.39270358       0.53940258       0.58789872 
O       4.11202335       8.48371772       9.04343168      -1.23610478      -0.46150483      -1.27609776 
O       3.73184743       0.73003284       9.04579610      -0.09112312       1.40651164      -0.95296839 
O       4.45872156       6.03566904       6.84394133      -0.31268381       1.20871796       1.17387777 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.024681162093262272 0.0050472380104774036 -0.006052534766833617 0.0050472380104774036 -0.028820711131675007 -0.009222606108571174 -0.006052534766833617 -0.009222606108571174 -0.02708318845542351" pbc="T T T" energy=-930.39630534 free_energy=-930.3963569 config_type=crystal 
Hf      10.25047456       0.00044408      10.24525360      -0.68932332       0.83976705      -1.46065304 
Hf       5.02638564       2.54258076       2.27299845       1.59528344       0.03140086       0.38989053 
Hf       0.12492540       2.67239618       7.70831925      -2.34375114      -3.74923450       0.24108016 
Hf      10.35090455      10.10839307       5.13305244       2.97755785       3.74815853       1.66654901 
Hf       7.60455358       5.32825304       7.71447903      -4.47916537       1.01138340       6.08578189 
Hf       7.55692221       8.09049914       5.00616704       1.62449656      -2.02853306       1.62941668 
Hf       7.94732979       2.55951947      10.01077063       0.50348092      -0.56606401      -0.61284511 
Hf       7.76517092       0.17379502       2.47213716       0.07563685      -3.49321950      -5.76791098 
Hf       2.69697123       2.70497390       4.95078294      -0.83452674      -3.47792459      -0.29289230 
Hf       5.07903419       2.15053135       7.38550438       1.53071217       1.07664572      -0.66637190 
Hf       4.65983441      10.16429702       5.06627024       2.07146252       1.46468831      -2.40729052 
Hf       2.54333370       2.79812601       9.96997129       4.95482598      -3.68339218       3.37062402 
Hf       2.35927385      10.02772546       2.27609979       1.84973705       1.67604185      -2.32677979 
Hf       0.19822439       2.64738363       2.80335304      -3.01771042      -3.60128116      -5.06983853 
Hf       2.47054473      10.10722525       7.76727682      -0.09609151      -1.75164947      -2.64956648 
Hf       7.48077967      10.17035569       7.87663281       1.62401359       2.08834763       1.95300021 
Hf       2.58391607       5.01273500       7.91944260       3.95064561       4.06396160      -1.50235747 
Hf       5.37084524       5.07646369       5.27829378      -1.33178851      -3.59311402      -0.79401771 
Hf      10.31311424       4.96403326       5.17921623       0.08740354       1.32272880       0.38508148 
Hf       2.44985462       7.87510516       4.87236421      -4.19639781      -3.11009950       0.01913109 
Hf       5.34712768       4.94089699       0.06665085       1.02283334       1.78233064      -0.38456896 
Hf       5.03581914       7.42425224       2.79455882      -0.09233578       2.66518621      -5.14681698 
Hf       5.47021972       7.67265264       7.57104761      -3.83311844      -0.74585161       3.82905230 
Hf       7.37871831       8.11142034       0.18309780      -1.40209254       0.45087540      -2.01384905 
Hf       7.91668005       5.33090695       2.54293138      -1.67235730      -0.93186917      -2.47854665 
Hf       2.35280982       5.28956588       2.72668771       3.10220575      -2.74806901      -6.44658219 
Hf      10.07122791       8.01667213       2.56233686       2.18421819      -4.45392559      -3.33340938 
Hf      10.44868754       4.82851899      10.38419335      -2.86607515       1.08629417       3.89876814 
Hf       7.98988012       2.64032387       4.79378910      -5.07894939      -0.59303795       0.75765015 
Hf      10.13691503       7.69835323       8.00416398       0.26732126      -0.24733599      -1.26951834 
Hf       4.56888083       0.04154213       0.07083681       2.45495009      -1.16972401      -1.35944869 
Hf       2.55599393       7.43443219      10.11320637       2.75853305      -1.03153493      -2.15822691 
O       1.48463267       8.07797287       1.04164269      -2.67076826       3.19203671       4.75132345 
O       1.56462782       5.59411723       0.80387020       1.42056017       1.43944336       0.66731827 
O       3.74230159       0.85058085       6.40033521      -0.77182758       0.74989720       0.60084859 
O       1.06985884       1.45794878       4.15452523       0.42926889      -1.44340931      -0.78902093 
O       4.28833308       3.45072163       0.60057777      -0.77871398      -0.39681176       1.40481443 
O       1.22027079       1.51530073       9.46526475      -3.79673256      -1.43996773      -1.78666454 
O       3.45362202       3.51034977       3.36537406       0.40568591       2.37532785      -0.24988367 
O       6.59990408       4.00461219       1.60702085      -1.77344125      -0.95485373      -2.15871665 
O       3.69377934       1.09455415       3.78057387       0.18651846      -0.06387196       0.58154050 
O       1.03706237       3.84639831       3.91953884       3.27216631       3.10024575       2.32199387 
O       0.30613855       0.43080460       1.56980566       1.97372782      -0.47971223       1.55709861 
O       1.27459602       6.27238769       3.80872302      -3.74050240       2.67159303       2.16278280 
O       3.14139979       1.16811301       1.05321695      -0.02355450      -2.00173326       0.90923642 
O       9.73228954       2.71317909       5.58885514       0.38007516       2.24176909       1.60143875 
O       1.24785446       9.24140802       6.24590988      -1.21562721      -0.26710714      -0.37823931 
O       6.35506890       0.60843506       3.48622633      -3.92060702       0.79119658       0.98554359 
O       6.21939575       9.33894714       9.42088137       1.58617522       0.62511722      -0.27108936 
O       0.59760265       1.04237648       6.67491733       1.53745166      -0.59792233       0.97983302 
O       4.04973878       3.50891789       8.64558693      -1.32219219      -0.30799627      -0.86061961 
O       1.50511565       9.42651585       9.28705781      -3.40853276      -1.43957010       1.17041162 
O       1.67326824       3.20889118       1.13355843      -3.37037782       0.45893026       4.35329970 
O       3.42246624       8.63858357       6.18613030       5.15238357       3.20317490       3.07837064 
O       8.77571822       9.23869476       9.13147157       2.43835812      -0.55729109       1.30309789 
O       1.39502745       6.75405446       8.55220582       1.57172364      -0.41467949       1.61411011 
O       1.33161902       9.09905294       3.74051658      -4.96843780      -0.15097709      -0.69306369 
O       3.72134522       6.51220246       3.86276232      -0.87706934      -2.14508787       2.29889111 
O       4.11404835       9.03056401       1.26846754      -2.69383079      -0.44786005      -0.02281012 
O       3.56149830       9.01691766       3.56648973       1.95103287      -0.24182755       1.02842095 
O       1.39106160       4.10063215       9.19357884      -0.71135496       0.53176687      -2.42917563 
O       9.22493537       3.51029765       1.10183821       0.90464060       0.16430717      -0.41170862 
O       6.39180923       1.42889973       5.68208229      -0.19576045      -0.78665060       2.23920224 
O       6.88775096       4.05266293       9.39477605      -1.61736303       2.70521874      -1.03121382 
O       4.08870947       3.49578815       6.18137341      -1.36962980       1.58125527      -2.53518323 
O       1.47785559       3.75132042       6.75880685       0.11538237       0.92960676      -3.60790658 
O       9.42531757       3.62717778       9.09726887      -0.57315831      -2.00803375      -1.46853285 
O       8.88680353       4.86374874       6.62056154       6.77608252      -1.03020232      -5.83336197 
O       6.52669563       3.79871326       6.55063005       0.12948411       0.71820132       0.46009897 
O       6.37517384       1.54860166       8.70053448       0.85550864      -1.47452242      -0.25972016 
O       5.77614706       1.40825714       0.81085618       0.95713284      -0.33709597       1.12035738 
O       8.40862870       1.04901948       0.71413771       0.84174725      -1.65591735      -0.23157554 
O       6.49700156       9.05889999       1.66685361       0.57122435      -0.93938858       0.56507944 
O       9.05056638       9.51377789       6.43882058      -1.59839014       0.82970602      -1.83199717 
O       0.82221902       6.90126324       6.24367870      -1.95538286      -2.46985468      -1.20487641 
O       8.24795370       7.67679223       7.42743690      -1.66832631      -2.99887085      -2.46960029 
O       9.52995121       5.96117053       8.95237333      -0.98169038       2.41689293       0.19643062 
O       6.41581587       6.21862712       6.27360627       4.78074644       4.19253038       0.58186551 
O       6.15094398       9.22889348       6.67892714       0.65754531       1.97443483      -2.48931666 
O       6.46143354       6.74743763       8.96442527       0.33459230      -1.15355756       1.63907537 
O       3.73065899       5.90166704       9.24971420       0.49895113      -0.11527850       2.18901809 
O       6.82910528       6.40437391       1.16514019      -0.93958035       1.23498909      -0.98015980 
O       9.72914047       6.01114161       1.73099456      -0.93919159       1.66265780      -0.96649300 
O       8.79340274       1.26144734       3.59571450       3.54512685       3.03807743       2.02650689 
O       8.99032691       9.21163388       3.61798794      -1.97469778       1.02495550       2.77361082 
O       8.99485229       8.87150530       1.07748796       2.23763557      -0.34776106       0.94787881 
O       6.35032886       3.66159107       3.78812094      -0.35888934       0.12442924       2.62275263 
O       6.32878094       6.40353274       3.78279563       1.73198466      -3.01439189       0.31747434 
O       5.79634138       8.45604959       4.40968930      -0.17993117       2.43817277       0.50230196 
O       8.91908673       1.24017562       8.22032670       0.04643489       0.50549914       1.63689031 
O       8.73763140       6.74189902       3.75260096       1.06731244       2.12419172       3.30019491 
O       9.06572793       4.05900147       3.48172628       1.50799479      -1.47370146       3.47129198 
O       3.94776220       6.04088006       1.37592161       1.41680748       1.31924873       1.32802457 
O       4.00477745       8.64083559       8.89231796      -1.93533778      -0.90593847      -0.65354918 
O       3.57494642       0.63540551       8.94478303       1.58801131       3.77034518       0.23883953 
O       4.29322456       6.26428529       6.87911729      -3.28346697      -2.39684733      -2.04111677 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018012432321968384 -0.0002328801364069936 0.0011265003536868488 -0.0002328801364069936 -0.0281316889504321 -0.006303310882764818 0.0011265003536868488 -0.006303310882764818 -0.027763699196777094" pbc="T T T" energy=-929.97082898 free_energy=-929.9708479 config_type=crystal 
Hf      10.23702005      10.43849262      10.25375351      -1.16851149      -0.77285303       0.87692509 
Hf       5.04669750       2.51357505       2.26622483       0.33402150      -0.19459417       0.81630847 
Hf       0.13454091       2.68810500       7.74310157      -1.28917787       0.37763637      -0.20854913 
Hf      10.30770207      10.12414051       5.03559642       2.21623054       2.49487695       3.31338140 
Hf       7.64879494       5.28470977       7.72755476      -2.89619017       0.71001212       5.89333466 
Hf       7.53941435       8.14971888       4.97948346       1.02163866      -1.06872044       3.30648336 
Hf       7.95699627       2.49489843      10.01500086      -0.00416794       1.74466829      -2.51579423 
Hf       7.72887131       0.23567318       2.41414814      -0.50247128      -3.63897278      -1.52887563 
Hf       2.69946177       2.68031721       4.89619208      -1.74955640      -2.27066376       3.13039509 
Hf       5.13234734       2.16229766       7.41401714       0.05060771       1.18652703      -1.53269614 
Hf       4.61190267      10.22690572       5.06551793       3.73570671       0.24136373      -2.15958801 
Hf       2.58029780       2.79690638       9.98482901       1.10701025      -4.88623802       2.86701919 
Hf       2.34591678      10.01779837       2.25956707       1.08285439       0.26041048      -0.64110331 
Hf       0.27188571       2.57147218       2.82270253      -1.76101530      -1.28180602      -3.87777615 
Hf       2.46220547      10.08318952       7.72292588       0.19129274      -1.29840469      -0.33308703 
Hf       7.36629838      10.14949499       7.91752802       3.02614222       0.06481054      -0.25349254 
Hf       2.61461574       5.03234572       7.91843418       4.05922956       3.27984020      -3.77541294 
Hf       5.38171648       5.11724722       5.31619639      -0.87045131      -3.03781184      -0.23237754 
Hf      10.32619678       4.95510339       5.19707722       2.21693095       0.84054175       0.61189535 
Hf       2.49922924       7.88249597       4.89577730      -3.88650615      -2.21231076       1.50964779 
Hf       5.35264651       4.98768059       0.07370842       1.28618616       1.31752420      -0.13726006 
Hf       5.02801586       7.39353185       2.81585345       1.06717874       2.69055664      -4.68839562 
Hf       5.45129819       7.69338566       7.58867049      -3.03415000      -1.09853488       3.25251318 
Hf       7.38872818       8.08145561       0.22378944       0.29103459      -0.98242850      -2.15254004 
Hf       7.94714736       5.37263925       2.56628754      -0.53953534      -0.30528552      -2.16245140 
Hf       2.42173770       5.25285338       2.70735684       0.63736876      -1.01170097      -5.19269780 
Hf      10.11773007       8.01414590       2.56344335       1.09671911      -3.08439803      -2.53940870 
Hf      10.45335441       4.83219409      10.37427024      -3.38646644       1.30966955       3.61468812 
Hf       7.99936428       2.60833958       4.74873787      -3.07231440       0.70953406       2.91807711 
Hf      10.17871096       7.65931640       8.04697743      -1.04675250       0.91422839      -2.28890455 
Hf       4.51774360       0.04763000       0.04220286      -0.40408280      -4.48131008      -2.58080840 
Hf       2.48282922       7.44466667      10.07183243       6.65295766       1.97657874       4.10978076 
O       1.48311318       8.09013125       1.09871457      -2.63094600       3.39722553       4.04467645 
O       1.48494351       5.60945827       0.83800885       1.40191322       0.41092790       0.06381347 
O       3.81419528       0.94397997       6.33476384      -1.61319958       0.47889219       2.81482705 
O       1.21850452       1.53476399       4.15356317      -1.67034827      -3.10744334      -0.18681934 
O       4.21499799       3.44690304       0.71121586      -0.28678183       0.88154687      -0.99535923 
O       1.11274472       1.17765201       9.60835226       0.13022679       4.10705413      -1.00322524 
O       3.28172369       3.52246010       3.37961019       4.45112030       2.48743122      -2.93560007 
O       6.46807340       4.02370934       1.54538320      -0.85624922      -2.08997913      -1.22755930 
O       3.64932657       1.20623321       3.84034424       1.36526534      -1.61391137      -0.15812931 
O       1.09862163       3.92122306       3.92331033       0.40334731       1.16094463       0.33344602 
O       0.40284854       0.56770385       1.76399575       1.14345595      -1.00150537      -0.68344995 
O       1.20908190       6.36229727       3.56721494      -2.97290097       2.62635316       2.57739261 
O       3.34386183       1.08044529       1.25102122      -2.09644305      -0.26412638       0.33677409 
O       9.90467393       2.66319827       5.83886597      -5.12195998       2.61975151      -2.76487600 
O       1.31795969       9.16336209       6.14629992      -2.45642883       2.21399930      -0.11431817 
O       6.21659092       0.75886429       3.44098649      -0.66896857       0.70868615      -1.52345603 
O       6.22644924       9.25377184       9.36151415      -0.00925556      -0.22272225       0.43147956 
O       0.69864931       1.26153808       6.80372265       3.83359122      -6.98533354      -0.46807774 
O       3.88235044       3.44903950       8.61485565       0.09290173       1.08247777      -0.79551323 
O       1.36344412       9.32087473       9.28731737      -1.94500267      -1.14683288      -0.96127999 
O       1.84520079       3.20247593       1.22157708      -3.88361661       0.26602189       2.63292827 
O       3.42471773       8.63854935       6.38131938       3.65554665       2.20133518       0.28621397 
O       8.76985798       9.15387783       9.26685208       1.41146598      -0.24520102      -0.73725211 
O       1.38107035       6.80485562       8.86946627      -2.94594906      -3.27125627      -4.98686481 
O       1.09068647       9.03882132       3.70274804      -0.27835363       0.24661843      -0.07253380 
O       3.68493185       6.52230684       3.82218999      -0.46036192      -2.73748920       3.49378230 
O       3.87983311       9.03685974       1.28662881      -0.28458498      -0.23389151      -0.36594143 
O       3.66781134       8.97774152       3.73996375      -1.93716805       1.53791992      -1.58662052 
O       1.35662392       4.15112403       9.08242508      -0.50860008      -2.48776953       0.03908269 
O       9.19025425       3.62198320       1.12559344       0.98456087      -0.32330859      -1.27629747 
O       6.50147188       1.24529004       5.70985059      -0.03341259       0.66862308       2.25304421 
O       6.90563864       4.00782814       9.30708374      -2.60126815       1.40741353       0.22204633 
O       4.02692226       3.48058819       6.15379005       1.78945952       2.04569867      -1.07640163 
O       1.43759296       3.77652554       6.49536778       0.45246883       2.46948664       0.36251795 
O       9.31310651       3.69906572       8.94053407      -0.66161125      -1.21418070       0.38791675 
O       8.83637246       5.03998898       6.41519240       4.70494760       0.22823317      -4.36603733 
O       6.73001643       3.88968065       6.51201731      -1.94614299      -1.30957663      -0.32750073 
O       6.37657024       1.42924219       8.70240803      -0.11266820      -0.83679260      -0.06264948 
O       5.62701763       1.31079013       0.68358122       4.87444212       2.87823689       2.61518537 
O       8.39875918       1.06784985       0.77055786       0.70642126      -1.41222354       0.09258234 
O       6.57837009       8.93214395       1.74295586      -0.56814559       0.52867268       0.93398775 
O       9.05133942       9.43251015       6.43262836       0.52368874       2.30420592      -2.00420629 
O       0.79836446       6.81366219       6.33136002      -1.44134552      -2.11248641      -0.37987335 
O       8.00546137       7.77550786       7.30853438      -0.21939994      -2.63809380      -0.61496753 
O       9.57918808       6.07986686       9.01947099      -1.76568440       1.17148395      -0.17339070 
O       6.31587559       6.26071579       6.45928357       2.06440270       1.54896299      -1.23602235 
O       6.09033139       9.18661160       6.47327322       0.70936288       2.28063138       1.85368704 
O       6.56088442       6.58312792       8.99905614      -0.92077539       0.64649445       1.74919328 
O       3.90476496       6.07403594       9.12833465      -0.51293346      -1.39051559       2.37141455 
O       6.68868990       6.27267436       1.27798310      -1.06436233       3.27476989      -3.50413175 
O       9.65676952       6.21036803       1.64472241      -1.51440315       0.23160219      -0.95918787 
O       8.90306790       1.34503010       3.51609048       1.94590634       1.01345770       1.04833012 
O       8.94914127       9.17727177       3.83879985      -1.24810176       3.77621284      -0.49959000 
O       9.04340426       8.97201504       1.10718926       0.89612100      -0.08489897       1.59509998 
O       6.52284051       3.74473979       3.76612570      -1.09860472      -0.92450447       2.63792044 
O       6.45950640       6.32383754       3.60831958      -1.04979929      -0.99987048       3.43252668 
O       5.66584513       8.42840082       4.50811104       1.28483057      -0.02508609      -1.62784428 
O       8.73350311       1.18649605       8.32868944       1.74936702       0.81942534       1.87092869 
O       8.70121645       7.06725016       3.70773518       0.44133299      -3.29622989       1.26154653 
O       8.99703721       4.08372222       3.55093277       2.98565431      -1.78217767       3.52667407 
O       3.83222142       6.15780562       1.45442659       2.31648698       0.28165977      -0.57102504 
O       3.79610424       8.63271769       8.77134135      -0.58592006       0.84300895       0.39858116 
O       3.61073758       0.85931427       8.92056425      -0.09435899       1.49930610      -0.50245324 
O       4.01384715       6.21556701       6.77705059      -0.71613966      -1.03999735      -2.33402428 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0220128190813256 -0.004864866581381089 -0.015630889825052677 -0.004864866581381089 -0.0022061733045605557 0.008037944957385313 -0.015630889825052677 0.008037944957385313 -0.01687227720655553" pbc="T T T" energy=-924.38963338 free_energy=-924.39097809 config_type=crystal 
Hf      10.16510313      10.28799766      10.44269553      -0.31692111      -0.04144632      -1.09049619 
Hf       5.33900088       2.56162694       2.49497881      -2.23236276      -1.32280339       0.18275407 
Hf       9.86084588       2.50536191       7.75091920       1.20576648       1.71364768      -2.18119198 
Hf       0.15535023      10.06220416       5.04862820       2.10152896       3.75185168      -0.21966413 
Hf       7.20104137       5.64198345       8.03611414      -1.12047324      -1.69968243      -5.05435063 
Hf       8.11359134       7.45763209       4.85299504       0.18814848      -0.72328212       9.24330825 
Hf       7.68173918       2.51164906      10.36377389       2.06937119       2.60760104       3.53827816 
Hf       7.74793057      10.14722476       2.45374617      -0.10550898       0.07830342       1.57653364 
Hf       2.68303507       2.39116583       4.98056828       0.70797326      -2.84568359      -1.44196028 
Hf       5.51813189       2.96989509       7.94470759      -2.63444761      -0.21123511      -0.32519904 
Hf       5.41238779      10.25600176       5.69442613      -0.71284954       2.04141254      -1.22198392 
Hf       2.44982029       2.39941351       9.87480883       0.61377567       1.58402598      -0.05439662 
Hf       2.69733661       0.02728319       2.04948553       1.32951889       1.34559051       4.96326273 
Hf      10.37739869       2.65799155       2.50410628       0.21077586      -0.16882823      -1.03951361 
Hf       2.26435933      10.26955318       7.86896610      -2.83393250       0.93498508      -2.73385549 
Hf       7.75204473      10.28292888       8.00012517      -0.37471532       2.39079566       1.19532470 
Hf       2.39143533       4.96907964       7.68637759      -0.07134882       0.62359163       4.05145078 
Hf       4.78153570       5.07196835       5.05746387       3.55449830       1.53941028       0.80702210 
Hf       0.68611404       5.09833658       4.96928310      -3.65300891      -0.55952704       1.28936501 
Hf       2.60487862       7.80598815       5.19686675       3.08500407       0.20626995      -1.20265257 
Hf       4.97056877       5.42150542       0.06663474      -0.29390622      -1.76236068      -0.64096235 
Hf       5.29406970       7.84441449       2.98055711      -1.02464937      -1.09577582       0.31088258 
Hf       4.53505731       7.48336890       7.56517104       1.71638677      -1.33427697      -0.25705183 
Hf       7.57881374       7.75976387      10.39382570       0.46471575       3.04084186      -2.65832727 
Hf       7.66410761       5.23259616       2.35043734       0.52712609      -0.27933110       0.27450597 
Hf       2.37228501       4.78985821       2.20287501       4.61850720       2.44092430       2.30684733 
Hf       0.26090217       7.44881097       2.42771254      -1.34175399       1.93557615       2.07495851 
Hf      10.14087063       5.25159922      10.05419689       0.47090601      -0.32820050      -0.18504295 
Hf       7.79712265       2.23366385       5.08515493       0.06280278       0.48725044       1.15428831 
Hf       9.86111957       7.58717738       7.34471017      -0.49426173       0.41131430       1.34875999 
Hf       5.08247526      10.43655731      10.29622274       0.49503152       0.05626322       0.53321496 
Hf       2.49467194       7.87538147      10.33444708       2.71386781      -1.50283296       1.17471193 
O       1.14724058       9.32161836       1.56738138      -1.66605474      -1.76913854      -2.50140063 
O       1.74280483       6.71016309       1.40641635      -0.38061767       1.09450981       0.25622127 
O       1.51300371       1.22729089       6.08843177      -0.09389877       0.22541021       1.84087370 
O       1.25119779       0.69634287       3.72307560       0.80842842       1.59998955      -2.23621313 
O       3.72849248       3.87895991       1.14233936      -0.54608970       0.13526550       0.13368740 
O       0.72172770       1.08682654       8.67029752       3.14841268      -0.59497167       1.18690921 
O       4.02234434       3.78834094       3.81964775       1.43532919      -0.53566831      -2.34711887 
O       6.05295952       3.72361806       0.98425893       1.90678039      -0.09139299       3.74945427 
O       4.22893122       1.00700062       3.54890558      -1.52267670       1.49435225      -0.35127972 
O       1.63610349       3.50179093       3.49334711      -2.21415956      -1.33372137       0.36659152 
O       1.26618099       1.56558883       0.81185895      -1.21957414      -0.63567525       1.33881169 
O       2.11070589       5.96795409       4.05403694       2.55110931       2.86698905      -1.00383912 
O       3.81194222       1.33845868       1.01851281       0.86300715       0.64495222      -2.24338547 
O       0.12795589       4.31919822       6.75093700       1.61776897      -0.37458079      -1.33958439 
O       0.48489444       9.57733536       6.91860082       1.19614029      -3.65819471       0.40237956 
O       6.77504704       0.84398411       3.97599614       0.48009227       0.92181987       0.41361821 
O       6.74657678       9.34305879       9.67843267      -2.76772696       3.04186838      -0.55228130 
O       8.87672228       0.69064507       6.45573061       0.85883397       1.84685804      -1.70301643 
O       3.85698121       3.86518639       9.10415469      -0.49496560      -2.62100931      -0.95989817 
O       1.43504214       8.93256071       9.20104742      -1.13279114       2.04046490       0.37015442 
O       1.19799003       4.56029750       0.84683165      -4.46051218      -2.56293864      -3.13410324 
O       3.48281110       9.61254345       6.10887048      -0.74790477      -0.71774228       1.25687887 
O       9.20166911       9.18119346       8.97234180       2.16687784       0.98973886       0.64156113 
O       0.84483156       6.25735708       8.64141625      -2.30187015       0.50325817       1.52622378 
O       1.35889268       8.63308673       4.14440200      -1.54507945       1.64346727      -2.28645579 
O       4.62885226       7.10011528       5.15532682      -3.76843368       0.59096959      -0.94665262 
O       4.00592842       9.29054798       1.03954924      -1.77466743       0.13818908      -1.24086470 
O       3.82969520       8.98454423       3.39245661      -1.77315570      -0.06498407       1.80839328 
O       1.26860454       3.74141133       8.78465583      -0.84746614      -2.12581146       1.65957779 
O       8.92968690       3.60170714       1.35846001      -0.09557397       1.05790414       0.96189143 
O       6.20158846       1.42053211       6.78931677       1.71630972      -3.53095560      -0.98810147 
O       6.39032220       4.07358037       9.42412578       1.51359057       1.12213176      -4.04765475 
O       4.24409224       2.17805850       5.98607652       0.96526724       0.11335837       1.55191997 
O       2.99793561       4.36194856       5.93180917      -2.12704714       0.04791166      -0.76719722 
O       8.86481436       3.84458159       9.25871848       2.13293136       0.86328815      -0.61108204 
O       8.60702767       6.16563779       6.48122857       2.65560104       0.12253050       2.46095533 
O       8.06659214       3.17632749       6.80033694      -0.53426714       1.00983779       1.07277809 
O       6.48013946       1.59802191       9.34957002      -4.72831545      -3.17133574      -2.90117117 
O       6.44109049       1.14195871       1.40788172      -0.29200854      -0.74218167      -0.44508089 
O       8.91112499       1.02970966       1.35969418       2.17943701      -0.53759673      -0.70162422 
O       6.43319248       8.83013293       1.81936289       1.48438025       0.64581359      -2.47324797 
O       8.25214530       8.82358894       7.05423094       1.13394183      -5.12559855      -5.09544575 
O      10.36357012       7.19369881       5.14223580      -0.30854061      -0.92114367       1.70805062 
O       6.50517482       6.60794317       6.10969585      -0.05332266      -0.56265099       1.24314870 
O       8.54146791       6.58052769       9.05533332       3.04643965       0.46646193       0.23057325 
O       5.16129538       4.88405035       7.15810358       0.71548666      -1.50456589      -1.17381773 
O       5.72142882       9.03269692       7.25147517       0.86187690       2.87390058      -1.18144525 
O       5.75242541       6.72407006       8.96004056       3.04417284       0.08670852       0.16912635 
O       3.56944696       6.13640067       8.93435263      -1.55090234       0.69980809       2.86565525 
O       6.91800183       6.21246598       0.52013895      -2.80807281      -6.55354096       4.78675744 
O       9.36235249       6.57153482       1.28571092       1.82076265      -2.93498117      -3.18228841 
O       9.53688800       2.49581767       4.19540641      -0.43597486      -1.00909913       0.27313534 
O       9.47463943       9.51255167       3.64763052      -2.76939514      -0.83918912      -2.29619014 
O       8.88752947       8.78331092       0.66754617       4.35380795       4.94312530       5.56930545 
O       7.11139178       3.97080406       4.02282725      -0.73170576      -1.89256418      -0.53965152 
O       5.87285757       5.95566102       3.17864606       0.86628105      -1.63445477       1.04209129 
O       7.11525035       8.90561694       4.26168027      -4.92871232       2.82009021      -0.08749488 
O       8.94817032       1.32814895       8.96516805      -2.44810874      -1.22708440       3.55885890 
O       8.29456513       6.99015718       3.17889474       0.30993126      -2.69282091      -5.17192245 
O      10.04682826       5.01334078       3.43959815      -1.02660028      -0.14858452      -1.68317420 
O       4.33831390       6.72025157       1.48522443      -0.93868520      -0.64042018      -1.63769863 
O       4.02643956       8.50223568       9.27767246       0.36769534       3.16749729      -1.75110466 
O       3.57523382       1.19103524       8.60639928       0.54685411      -1.07358024       1.57417966 
O       2.56652502       6.98358870       7.05278922      -0.72339598       0.65557196      -2.24103754 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.023625858428204576 -0.004078861434600707 0.0019343552450868469 -0.004078861434600707 -0.02953180216571539 0.0074107876596472685 0.0019343552450868469 0.0074107876596472685 -0.008048520826350084" pbc="T T T" energy=-924.77524753 free_energy=-924.77537289 config_type=crystal 
Hf      10.11535811      10.27179274      10.41747659       3.16841624       0.78302005       3.23784638 
Hf       5.34818801       2.67012156       2.58341202       2.02687448      -3.39200758      -1.65376158 
Hf       9.94228537       2.51902051       7.73420917       0.02093348       2.16269330      -0.72790228 
Hf       0.24889775      10.10838019       5.11836292      -1.85282192       1.82618450      -2.51486528 
Hf       7.24389858       5.59128675       7.99512557       1.57469020      -0.48213581      -3.13517310 
Hf       8.11253153       7.49653077       4.96071380      -1.72648157      -0.36001460       0.29965135 
Hf       7.59282180       2.51708300      10.25834859       0.39851295       0.95585533       4.26059998 
Hf       7.74821243      10.01553485       2.54483350       1.36420828       2.14921354      -0.72346979 
Hf       2.60489536       2.32742395       4.93864225       4.58053944      -3.38418985       1.34744610 
Hf       5.53191932       2.77164181       7.98854694      -5.45089580      -4.04278528      -5.16220804 
Hf       5.41304224      10.24071598       5.67202563      -1.06813170       0.40352856      -3.58024618 
Hf       2.53418498       2.49102489       9.95382236      -1.16714030      -3.85718743       1.86165550 
Hf       2.65689061       0.06254088       2.07700849       0.13282062      -0.77950139       2.70723299 
Hf       0.06334982       2.63358154       2.58115352      -2.94481962      -0.09514345      -1.90047502 
Hf       2.21656376      10.33367635       7.87945585       2.94097087       0.63754516      -2.80431621 
Hf       7.77838617      10.32958741       7.99245638      -0.47023336      -2.28714899      -0.57636643 
Hf       2.35495822       4.83983808       7.67474127      -1.87345494       1.20307025       3.38946832 
Hf       4.80378035       5.09405768       5.01399869       1.72404951       1.75934250      -0.34204601 
Hf       0.69634224       5.19715834       5.02278150      -1.59773575       0.54905465      -1.70219597 
Hf       2.64699691       7.98439207       5.18883697      -3.23270517      -0.05091006      -4.15897318 
Hf       4.90142853       5.39491917       0.01008502       2.18332451      -1.34313322       0.34222527 
Hf       5.32912613       7.88404978       2.94218132      -2.13770177      -1.50563163       0.43122959 
Hf       4.54214775       7.46647635       7.48025468       1.80677231       0.86441134       0.90778695 
Hf       7.54820282       7.74580981      10.43093655       2.66558901      -0.81387107      -0.20701117 
Hf       7.59604947       5.32724148       2.39415905       2.95559604      -3.65903251      -0.48949531 
Hf       2.38546279       4.75088082       2.12205565      -2.15075523       3.41294188       2.44167031 
Hf       0.30337285       7.64691290       2.43899123      -4.09799563      -0.71764468      -0.45462915 
Hf      10.17183195       5.28183963       9.96823778      -4.07185682       1.17519957       1.33245043 
Hf       7.66220559       2.22927464       5.05351414       2.07642415       1.11303389       2.04240836 
Hf       9.81774554       7.60612466       7.30888290       4.42466180      -4.18416394       3.99565592 
Hf       5.01309524      10.32743839      10.31458673      -1.87480545      -0.10116792      -1.02956496 
Hf       2.60080203       7.84302605      10.38871872       0.82842808      -0.24264950       2.05526541 
O       1.28281838       8.95778383       1.40556848      -0.21052030       3.56450863      -1.80871014 
O       1.72010500       6.70311903       1.55534556       2.12454078      -1.78304571      -0.40758175 
O       1.82642631       1.16349396       6.33568518      -2.72310953      -0.38753329      -2.94733202 
O       1.21909523       0.58939934       3.44387454      -0.43329722       2.38866939       1.74558080 
O       3.67774586       3.97188533       1.00761509      -0.39762129      -0.66592713      -0.42227841 
O       1.29885866       1.34187789       8.64302805      -3.11493420      -0.48902950       2.08342757 
O       4.19097701       3.81608547       3.53009530      -2.07138871       1.61120060       2.09487827 
O       6.08742116       3.85612654       1.15701444       0.03162839      -2.48613931       0.87646561 
O       4.12957789       0.98151008       3.71773470      -1.55681137       1.18913884      -0.54122431 
O       1.68901087       3.33696356       3.55996856      -1.54885372       1.48746401      -2.38341203 
O       1.25233285       1.60941102       1.09290447       0.15773994      -0.12141969      -0.29704236 
O       2.41593744       5.86334808       4.09550078      -0.54937462       0.58551670      -0.89523872 
O       3.85249539       1.22433775       0.98044797      -0.05511798       0.78044405      -0.52154903 
O       0.21182008       4.09376224       6.73970112       0.96726902       0.20471235      -0.83539633 
O       0.32185156       9.26321508       6.99375556       3.13660569       2.56973933      -2.50608709 
O       6.83842125       0.85684498       4.00610949      -0.60346385       1.64826026      -1.62716556 
O       6.59851846       9.55140022       9.46837740       1.89060369      -3.69630384       2.06507332 
O       8.54442671       0.63611031       6.37200907       4.64747430       0.81608932      -1.29976158 
O       3.83873339       3.57616364       9.17103695       1.73882848       2.04532556      -3.78893581 
O       1.83781877       9.15632252       9.23596266      -3.80617014      -1.00052537       2.45919384 
O       0.94714641       4.56495014       0.67791964       3.54081503      -3.07340641       3.26308158 
O       3.51821732       9.39658126       6.20007829      -0.23224941       1.49514182       1.98203314 
O       9.31839445       9.31142532       9.11211737      -2.36587777      -2.37673983      -4.01650577 
O       0.51296154       6.22320503       8.50206414       2.65110979      -0.04461649      -0.63454319 
O       1.08796453       8.74887806       4.00463218       1.17591643      -0.54626415       1.66224373 
O       4.29263710       7.06506817       5.11822948       2.79159855      -1.33348312       0.33817322 
O       3.75017332       9.02789136       1.00169038       1.39898393       2.93237309       0.64308532 
O       3.54882321       8.85651267       3.58593551       2.34326578       0.14819928      -1.87903979 
O       1.26289387       3.52966807       8.85469825      -1.25347467       2.76228868      -0.73423351 
O       8.99495172       3.60393696       1.44743140      -0.87388226      -1.41527067      -0.22270154 
O       6.39576284       1.17282270       6.50578500      -0.58332132       1.52739211       2.59916493 
O       6.20309350       4.06956825       9.05851797       3.10266558       1.40183419       3.10537696 
O       4.23897501       2.31163820       6.11134605       0.62476376       0.98453746       0.63488266 
O       2.48047485       4.22342255       5.84937414       1.53703143      -0.10775895       0.23503691 
O       8.63318029       4.14114817       9.23327473       1.19670956      -1.75000480       0.21512795 
O       8.68065927       6.22954148       6.45131293      -0.23005993      -3.22069779       0.58113562 
O       8.22448596       3.33853213       6.95877072      -1.59293307      -1.28993006      -0.37329751 
O       6.12846038       1.21830388       9.26745849       2.44078749       4.87843638      -1.17089127 
O       6.40567224       1.29939087       1.43484862       0.93666604      -1.68210996      -1.10907301 
O       8.95320738       0.70631946       1.18278945      -0.97583322       2.60737568       1.46068931 
O       6.73424498       8.56402509       1.62543247      -2.94791534       1.35061454      -0.13529376 
O       8.24541480       8.42298896       6.99517206      -4.12830082       4.54288432      -1.77115524 
O      10.32970380       7.03058162       5.13565005       0.21173470       0.88539253       0.56577810 
O       6.44653951       6.49892127       5.92310098       0.21288774       0.05017712       0.24905003 
O       8.67943954       6.69352278       8.96137887      -1.76050079       0.59262409       0.93418042 
O       5.22917057       4.85133185       7.05886297      -1.81182800      -0.50863297      -0.55896596 
O       5.81684948       9.02856497       7.11042690       0.16905341       0.04910385      -0.36519627 
O       5.90932589       6.78016355       9.06371371       1.10076274      -0.51785294      -1.24930365 
O       3.35290138       6.28939841       9.44223262      -0.69102262      -3.10454027      -2.27162803 
O       6.93763025       5.70679686       0.62836155       0.69011234       4.68689298      -2.23394734 
O       9.44996338       6.55108219       1.14210147       0.51278028      -2.08374946      -2.27321920 
O       9.49070233       2.36969211       4.24025199       0.41455812      -1.07053468       0.04563951 
O       9.23669540       9.45009201       3.70437721       1.00160418       0.16363330       1.93542379 
O       9.14547723       8.82345853       0.98940756      -0.63013161       0.27441307       0.80587761 
O       7.10269897       3.89332906       4.05778017      -1.72960906      -0.88189605      -0.61464622 
O       5.87100746       5.93875915       3.26435168      -1.75803821       0.67552649       1.55110348 
O       6.83303094       9.17591315       4.33236784      -2.79956703      -3.41084141       0.41630663 
O       8.93259326       1.22412811       9.07203905      -0.50963166       2.10192376       0.81755599 
O       8.03423578       7.11195057       2.94579164       0.82930350       0.94304559       3.57632258 
O      10.19055964       5.13152909       3.31130264       0.55654941      -1.02716240       0.49307962 
O       4.60764397       6.80890572       1.32018459      -1.00824493      -0.53854130       0.07351135 
O       4.13104253       8.51366184       9.07139485       0.27826749       2.15514212      -0.42826732 
O       3.75403703       0.93413525       8.75435094       0.18699444      -0.39703580       1.14719967 
O       2.36720063       7.01404188       6.85352272       1.08955920      -2.73728170       2.32783900 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.029694280338608724 0.013868265677791123 0.007419924448818921 0.013868265677791123 -0.013040362029229782 -0.007994963922020051 0.007419924448818921 -0.007994963922020051 -0.04357707407135822" pbc="T T T" energy=-929.51390569 free_energy=-929.51402455 config_type=crystal 
Hf      10.30997009      10.41323841       0.17808532       0.02517188       0.09083814      -0.68643237 
Hf       5.24569555       2.36393612       2.59520900       0.61437654       2.31606736       0.18723675 
Hf      10.12463755       2.53771042       8.05544323      -0.91258368       2.09046481      -1.69010317 
Hf      10.38553626       0.53228037       5.54006716       4.07250652      -5.33805642      -5.20867424 
Hf       7.37971835       4.80628418       7.28723608       2.05370962      -1.90826784       1.12319314 
Hf       8.07978332       7.63227142       5.04073564       0.11361546       1.27694743       0.61276555 
Hf       7.39327156       2.49418725       0.22447058       4.32340791       3.42429465      -4.08609659 
Hf       7.67546323      10.07996896       2.53917150       1.20826545      -1.09166226       0.89305909 
Hf       2.71114990       2.78261144       4.80609463      -1.31435634      -2.73694777       2.56018202 
Hf       4.87814385       2.21162340       7.73000270      -1.05340014      -0.24611695       0.18985230 
Hf       5.21816913      10.23739882       4.92210723       0.87459764       4.29975084       1.18276257 
Hf       2.24987296       2.58820554       0.12226332       3.59799403      -0.05630892      -0.88297112 
Hf       2.47949145      10.46582437       2.47395368      -0.33276059       0.42873697       0.48097729 
Hf      10.09325988       2.50551189       2.34051120       1.72841970       3.19388826       3.05395674 
Hf       2.16239280      10.23054984       7.85515103       1.14161353       0.69290036       1.94569241 
Hf       7.82359994      10.23486066       8.06803312       1.09400118       1.83082858      -3.51371031 
Hf       2.40918140       4.98584178       7.81572266      -2.38562376       0.06674267      -1.03398502 
Hf       4.96996623       5.18981891       5.00373385       0.62437665      -2.16317756      -1.87512411 
Hf       0.13640326       5.59222599       4.90175277       0.41327476       0.05037392       2.50915187 
Hf       2.58733496       8.18617821       4.93274727      -2.21553071      -2.92861861       1.78338815 
Hf       5.21825736       5.00041136       9.98054414      -1.54392746      -0.79760435       0.81282184 
Hf       5.09507866       7.74870695       2.59513605      -1.07578930       0.06343131      -1.66470970 
Hf       5.10648232       7.44376626       7.63396778      -3.49120312       0.90721261      -1.28568447 
Hf       8.02818547       7.59601169      10.34248303      -0.50855244       0.92251447      -0.29335210 
Hf       7.87250127       5.34446550       2.42973848       4.80013445      -5.08360858      -5.63747860 
Hf       2.41450545       4.95378747       2.51019928      -1.56855447       1.50968540      -2.13025357 
Hf      10.43161402       7.68848664       2.33662133       3.33183821       2.72658514      -4.65222485 
Hf      10.09062083       5.21464903       9.94345538       3.16915181       0.02993231       0.07937720 
Hf       7.74942944       2.40438432       5.15659354      -4.77184297      -0.96647128       0.31766121 
Hf      10.36299134       7.93101905       7.69921575       2.80096160      -0.83528239       3.63482863 
Hf       5.47383610      10.15804514      10.17123129      -4.24866065      -2.04893348       0.27920421 
Hf       2.60745948       7.68409575       0.06577902       0.18989617      -0.24211191      -0.61859111 
O       1.36901339       9.29674501       1.04564424      -0.42191517      -0.04753907       0.77798592 
O       0.93336211       6.55716944       0.65268647       1.74903623       0.97830881       1.95273641 
O       1.74410285       2.28486116       7.00809604      -1.95754893      -0.73289272      -1.99655111 
O       1.54280590       1.08568603       4.21374204      -0.17336300       1.80898379       0.05573317 
O       3.56088069       3.98851392       1.05947637       1.17012799      -0.80159139      -2.63382716 
O       0.57098794       1.40045375       9.19733265       2.15451916      -4.16642123       3.97206579 
O       4.00026422       4.27392374       3.31173206       1.46990004      -2.68284788       3.34882701 
O       6.29976445       3.79392340       1.39104454       0.25204292      -0.02451545      -1.59405459 
O       3.76085335       1.48813989       3.51529201       0.36204763      -0.18172063      -0.71204081 
O       1.12575107       4.05510135       4.03700194       2.21493857      -0.78272813      -0.07566919 
O       1.16842375       1.46098377       1.45720568      -0.09431026      -4.08943083      -0.26877859 
O       1.23872951       6.86319799       3.50552851       0.99352272      -3.65356649       1.11279898 
O       3.82665717       1.12597975       0.75207026       1.25322195       0.41657228       1.91147112 
O       0.72583411       5.02363942       6.62119725      -0.36972426      -1.77830030      -0.87663461 
O       0.49981642       9.87185360       7.07582732      -0.58574178      -2.84734762      -0.63209490 
O       6.51593502       1.04221164       3.76692531      -0.02715018      -0.79154199      -2.49230686 
O       6.91427681       8.90981703       9.26583236       0.50882040       0.23801413      -0.68744836 
O       9.38603761       0.82105738       7.04293425      -3.46160113       2.65360673       3.18310327 
O       3.52737106       3.45031387       8.77674223       3.21319752      -0.45832313      -0.24596721 
O       1.71491481       8.62778560       9.06916932       0.60097116       1.34124487      -1.50975216 
O       1.31860880       3.64833165       1.56162026      -2.73184284       0.96279196       0.27215931 
O       2.83119439       9.59107559       6.19334988       1.90266060       0.52284732      -1.16984813 
O       9.73806238       9.17320942       9.22271674      -2.00338979       1.81311715      -0.80428426 
O       0.92880125       6.26342716       8.68913637       0.82029093      -0.83354564      -0.14941286 
O       1.41205166       9.22466231       3.75376103      -0.49348471       0.39290053      -2.13073035 
O       3.99588799       6.80284559       4.39025482       2.09742279      -0.25725113      -1.60401635 
O       3.97445876       9.02513289       1.16878913       0.80461458      -0.86033361       0.50232703 
O       4.01170032       9.15963915       3.68273468      -0.45277214       0.31354097      -0.71487813 
O       1.30371383       3.82594233       9.43350591      -3.40361749       2.02752125      -1.61334680 
O       9.12148368       3.42812437       0.88838791      -0.60657156      -0.70617989       0.73880003 
O       6.83890897       0.65660491       6.26021822       2.59475314       1.91577178      -1.51660651 
O       6.53727989       3.68117019       9.00278860      -3.01002483      -1.74240642       1.96373631 
O       4.35694813       1.73784176       5.92099717      -0.88554480      -1.00706146      -0.66785531 
O       3.56007563       4.24314108       5.97990722      -0.26120797       0.41257335       0.68977555 
O       8.74349613       3.81407167       9.19899876       2.48575686       1.65891681      -2.68534243 
O       8.69009622       5.69794539       5.40125928      -1.49177515       0.98812301       1.27143891 
O       8.78004609       3.16415634       6.56678934      -0.49695208       3.11854709       1.99656493 
O       5.95225270       0.60673221       8.45046922      -0.14042424       1.09581554       2.58824725 
O       6.76661537       0.81183467       0.98005926      -2.62083600      -0.39173481       0.72477209 
O       9.03459988       0.94536527       1.88539069       0.93742526      -0.63467538      -1.22452925 
O       6.87881439       8.69888720       1.28644523      -3.04122233       0.59731986       1.74837565 
O       8.61375126       8.42151009       6.84900121      -3.14664736       0.49118182      -0.64063008 
O       0.32350260       7.49396561       5.93440102       0.75830704      -1.10507969      -4.72384233 
O       6.28645898       6.10215568       6.14390012       0.58960113       2.88928077      -0.81587542 
O       9.18453845       6.68031496       8.95989518      -3.34424974      -0.54571548      -0.91916209 
O       6.20503560       3.48638918       6.50320152      -0.40441522       0.55839306      -0.31897310 
O       5.39631495       9.43138996       6.52321708      -0.05228635      -6.02170975       2.89793823 
O       6.04122607       5.91669629       8.41423147       1.86160851       0.19947198      -0.01362521 
O       3.67303795       6.10961986       8.81489812       1.66058071       0.10814695       3.33955818 
O       6.35576657       6.50369197       0.29126943      -0.27362348      -1.80127712       1.84089190 
O       9.20592896       6.31881848       1.04672288      -2.29122035      -1.30658287       0.88679111 
O       9.52805693       1.93406187       4.68784301      -0.23388750       1.75263936      -4.40056155 
O       9.17589002       9.59441243       4.19525758      -1.33939515      -0.09753894      -0.15558095 
O       9.16045583       8.87617060       0.91938303       1.02715650       1.48388586       3.75914511 
O       6.44891408       3.52821662       3.85697147      -0.79472474      -0.30835526       0.93418485 
O       6.69247563       6.04895285       3.44879470      -7.87439091       5.21679715       4.70845155 
O       6.54128646       8.84744141       3.76014479      -0.65777587      -1.13205033       2.01003104 
O       8.40922873       1.29543339       9.31117204       0.11320716      -0.91966922       0.92311990 
O       8.89595696       7.21705006       3.24785726      -1.97512800      -1.98952562       1.86927759 
O       9.01718967       4.01554351       3.26920999       0.42532543       0.87674626       1.22133261 
O       3.37856807       6.46059792       1.72345147       2.66593988       3.07751945      -0.86086979 
O       4.58051851       8.30225150       9.18993399      -1.00838490       2.55005489       1.99606344 
O       3.45165501       0.74876985       8.85632104       2.52316513       1.52581733       0.28207126 
O       2.78790932       6.77408489       6.68238978       2.18357218       1.19407203      -1.01575178 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0034875937068722953 0.013878990363057982 0.007760808782611841 0.013878990363057982 -0.007705624972754566 -0.0020521270360057426 0.007760808782611841 -0.0020521270360057426 -0.008205869933013568" pbc="T T T" energy=-932.36886111 free_energy=-932.37057138 config_type=crystal 
Hf      10.35592226      10.38307461       0.30938726       1.65472977       2.48316769      -1.92963165 
Hf       5.22240365       2.39275407       2.54710122      -1.30821062       0.27651287      -2.75610855 
Hf      10.13453408       2.51297785       8.10613208       1.86188961       2.11552923      -1.58221737 
Hf      10.40229453       0.55946570       5.52720817      -0.40942294      -0.94323658      -3.26039484 
Hf       7.40884600       4.78399881       7.28219828       3.56709859       1.18569570       0.22717376 
Hf       8.09183703       7.66519830       4.93973733      -4.89792728       0.04458174      -1.05104337 
Hf       7.48618452       2.44666735       0.10453065      -1.08769439       2.10537507       0.13061280 
Hf       7.65996750      10.01177549       2.45636784       0.61564780       1.73188216       2.13828310 
Hf       2.69720704       2.86615526       4.82918820       0.11737247      -1.44216240       4.38734527 
Hf       4.86304489       2.26668901       7.79323907      -1.77885301      -2.76950780      -1.63591674 
Hf       5.22272329      10.26828876       4.85619843      -2.01287181       0.04300316       4.26147758 
Hf       2.16027978       2.66882783       0.09190286       3.67454277      -1.96227542       0.08737416 
Hf       2.43868478      10.35844398       2.49709999       2.86136514      -0.78317443       0.70083136 
Hf      10.11244129       2.58164711       2.45336206       1.06394350       1.32810209      -2.08303749 
Hf       2.21478252      10.21177725       7.80012635       3.22437496       3.67897312       0.35748926 
Hf       7.81409171      10.27308343       8.01305962      -2.99323449       0.60950274      -1.49202510 
Hf       2.41087808       5.17080120       7.86834431       0.79297035      -2.41410881      -3.49212866 
Hf       5.10318327       5.14516969       4.94120040      -0.00619897       1.82804422      -0.07640141 
Hf      10.36593119       5.54667143       4.96287402       2.43896712      -3.73124606       1.03707119 
Hf       2.53695528       8.05093376       4.95665343      -1.37041124      -1.91033160       0.30395166 
Hf       5.23990774       4.97561306      10.01246459       0.69751845      -1.56541245       1.66423266 
Hf       5.12081180       7.74103492       2.58843151      -2.25502564      -1.48462296      -1.62177146 
Hf       5.04719925       7.42914823       7.75662621      -0.75194544       1.02690814      -1.30239194 
Hf       8.06184708       7.65208028      10.37962370      -3.67458582      -0.44048989      -0.76694998 
Hf       7.92059901       5.30052431       2.41436217      -6.61613455      -1.69656029       0.78247371 
Hf       2.40860241       4.98825602       2.47995405       2.03082370       2.35666334      -1.08080293 
Hf      10.42519531       7.65058821       2.25952793       2.89452793      -0.68155450       2.00218431 
Hf      10.19157309       5.21761746      10.08591324      -2.34536206       2.22109720      -0.91852471 
Hf       7.75921544       2.41807223       5.18104468       0.73311871      -0.09323030      -0.37267941 
Hf      10.45017552       8.01096973       7.74919667      -1.75872628      -3.89541452      -0.59331687 
Hf       5.48191779      10.08342773      10.16075159      -5.10010206      -1.04921042       3.38518285 
Hf       2.53149716       7.71086808      10.44208713       3.64346183      -0.13225195       1.11180497 
O       1.32041893       9.19671033       1.20075447      -1.08843858      -1.60068519      -1.95820700 
O       0.95039868       6.51397805       0.94105927      -0.05829981       0.21029427      -2.01199483 
O       1.71456587       2.75601013       6.99994925      -2.19183707      -2.71556907       0.29974365 
O       1.61891705       1.15370451       4.65748893      -1.83825830       0.43219190      -0.72776561 
O       3.59721996       3.81156428       0.96396298      -1.45576972       0.14040242      -0.02379456 
O       0.93773991       0.96239346       9.44495070      -0.81906582       1.03759853      -1.68377225 
O       4.01282073       4.13546000       3.58387671      -4.43829414      -1.55700370      -1.37790230 
O       6.14895456       3.95223776       1.09358990       1.92240778      -2.02129596       1.17072696 
O       3.79959734       1.55113176       3.55022871      -1.03105013      -0.48940039       0.40239313 
O       1.06468613       4.09901700       3.82785628       1.08295433      -1.62655570       2.43363529 
O       1.32654773       1.22207653       1.49948316      -1.00865590       0.93221207      -0.18554218 
O       1.21146286       6.50960412       3.36933457       0.21956258       0.21104652       0.40806719 
O       4.22289735       1.12965234       1.00255426       0.20260619       0.82733773       0.88946056 
O       0.76402098       4.86595732       6.65059597       0.65157622       1.08314221       0.08233466 
O       0.49338619       9.55469571       6.70292718      -0.08647731       1.79280842      -0.05470479 
O       6.41223141       0.87517391       3.56326740       0.64341248       1.44176021       0.65573155 
O       6.90258387       8.78533132       9.15806462      -0.04518256       0.13482377       0.41587487 
O       9.22782163       1.03483631       7.20604820       3.87940314      -0.34105536      -2.65772759 
O       4.05015136       3.54586054       8.88795544      -4.50019146       2.50625740       1.04478409 
O       1.85795951       8.45188195       8.53979269      -0.71927003       1.43450452       1.53138698 
O       1.15309506       3.66344662       1.63568819       0.14008916       0.42211498      -2.97182196 
O       2.85330769       9.65373077       6.01839594       0.52627295      -0.79827379       0.81912627 
O       9.31616327       9.46075686       8.90310464       3.89511076      -1.91887693       2.53353678 
O       1.12247567       6.29620751       8.76414040      -2.24316741       1.39125010       1.97510058 
O       1.06014913       9.17636268       3.69796708       0.73161342      -0.25590434      -0.73880632 
O       3.81617213       6.59967152       3.98038796      -0.04472931       0.76903744       0.15105227 
O       3.78433521       9.09093169       1.31474615      -0.32701484      -0.78514886      -0.15894398 
O       3.85718781       9.26804784       3.73980299      -0.11130044      -0.42142733       0.15358032 
O       0.89288754       3.91107189       9.41928433       3.11087141      -3.46907997      -0.17244808 
O       9.02210826       3.67290796       0.78092515      -0.21154632      -0.88025796      -0.25399312 
O       7.22866482       0.77023278       6.37809370      -2.12924175       1.11444075      -3.65498661 
O       6.24742047       3.32018237       8.98676401       3.43570797      -0.05989166       1.04331727 
O       3.86269533       1.40583788       6.10218572       2.70851208       1.20512206       0.20124223 
O       3.61622784       4.24903847       6.31384609       1.61004539       0.19928781      -1.90290638 
O       8.92564172       4.00559246       8.56626642      -0.66245164       1.94619961       1.59356624 
O       8.37317927       5.68223772       5.23658022      -0.71050596      -1.57827330       4.29851013 
O       9.19038780       3.46766683       6.26903663      -1.80567851      -1.86992919      -1.49994079 
O       5.75333116       0.53633110       8.55069282       3.08584656       1.81906446      -0.98905646 
O       6.66895557       0.73010505       1.11961735       1.12323223       2.55421087      -1.44577587 
O       9.19153134       0.95890539       1.49887612      -0.75583832       0.65956675       0.76132898 
O       6.71429567       8.75632895       1.36705307      -0.62267494      -0.41932639      -0.47175576 
O       8.56081542       8.07954469       6.66511458       1.10212679       1.60408426       2.88588197 
O       0.67898551       7.13400913       5.75608701      -0.35774064       2.88138561       0.93491147 
O       6.13419827       6.56676862       6.03745489      -0.10914962      -1.37424638       1.75573899 
O       8.90525848       6.68268628       8.83730563       1.80655433      -0.26352887       1.78531853 
O       6.48799466       3.34461278       6.37533575      -2.45727277       0.98200180       0.47031125 
O       5.43210380       9.03824003       6.62342854       0.28166845       0.82633119      -1.39955132 
O       6.34007721       5.94627262       8.45894779      -0.55391543      -0.38210072       1.04427796 
O       3.91367504       6.15052680       9.24969882      -2.87640787       1.26296699      -1.87822851 
O       6.34516515       6.52633151       0.64174866       1.27172677      -0.41644068      -0.05042777 
O       9.04733662       6.15883539       1.17699641       1.16020953       2.62464938      -3.28065603 
O       9.35561592       1.74661913       3.95501203      -0.64886611      -2.96550885       4.23298052 
O       8.82092885       9.55588342       4.39329996       0.23918771      -0.17350071      -1.71160713 
O       9.24914044       8.97443566       1.08344480      -2.22722578      -2.86152624       1.29270175 
O       6.13974337       3.73918434       3.79256918       3.61565516      -1.18159907       1.47846105 
O       6.28529147       6.47455773       3.70356461       2.02230286      -1.84952545      -3.13258766 
O       6.24224253       8.81189327       3.81672224       2.64646521       1.73668408       1.04052418 
O       8.60443037       1.51914339       9.36124611       0.27995455      -1.71685452      -0.36485237 
O       9.10172956       6.49049158       3.44155763       1.78080728       4.80861970      -0.93030090 
O       8.88594007       3.91513707       3.21006266      -0.02913476      -0.16988974       1.58951112 
O       3.49759555       6.46139146       1.21412902       0.11300926      -0.04255816       1.40390452 
O       4.34464794       8.63982099       9.35874699      -0.85736986      -0.64132002      -0.60391643 
O       3.42724898       0.92439812       9.07010835      -0.60819608       0.05788114      -1.89320190 
O       3.23674980       6.90247439       6.68533559       0.82397949      -0.23418275       0.94546016 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03724513107063309 -0.00629656536553551 0.0014103008748634464 -0.00629656536553551 -0.03652392988407287 0.015743468936280713 0.0014103008748634464 0.015743468936280713 -0.046054115309182776" pbc="T T T" energy=-926.14140485 free_energy=-926.14167629 config_type=crystal 
Hf      10.27905901       0.12476140      10.46614861      -2.74728385      -1.66293186       0.93032734 
Hf       4.73281951       2.25770817       2.54882898       3.27510124       1.99289245      -3.37031819 
Hf      10.39973387       2.58299955       7.62477134      -3.59664846      -1.13393716       0.83281721 
Hf      10.33179348      10.12279759       4.92976472       1.10404392       1.58624084      -0.70832787 
Hf       7.54411326       5.03866166       7.94317523       2.77259991       1.46437554      -1.70492695 
Hf       7.76938074       7.83041396       5.01760356      -0.07556157      -2.89886447      -1.03751154 
Hf       7.76545507       2.19926334      10.36985413      -2.23647848       2.11648715      -1.73817392 
Hf       7.60334316       0.01928826       2.40472960      -1.64103272      -0.56015131       0.71915279 
Hf       2.37345545       2.64258247       5.58181599       1.16652499      -0.42182693      -4.84076563 
Hf       5.24393922       2.91867235       7.97874336      -1.23264868      -7.64163153       1.34775158 
Hf       4.86981610      10.27994664       5.35004566       5.48362319       3.52437168      -2.89870374 
Hf       2.39374072       2.19005528      10.35856560       0.72321002       4.14073868       1.99529332 
Hf       2.77284365      10.22722379       2.67224075      -2.40811533      -2.78553759      -0.21551954 
Hf       0.14103382       2.62097678       2.50252850      -2.79084747      -1.68898852       1.70450828 
Hf       2.43326978       0.05789923       7.43656939       0.20988778      -2.49186984       1.30098906 
Hf       7.55011531       0.07991750       7.14808868       1.35851073       1.10209536       2.30344034 
Hf       2.83987338       5.30425038       7.74384216      -1.03189995       2.69517006       3.12926400 
Hf       5.08856837       4.97377823       5.16130762       3.60441740       4.40956837      -2.32648364 
Hf      10.27986783       4.94788360       5.31004290      -3.44413779       0.54130872      -2.73832485 
Hf       2.33220553       7.37002121       5.05482597       2.45878800       2.40687899       1.53180872 
Hf       5.14740234       4.95987556       0.08482573       0.25232429       1.77685260       3.01737656 
Hf       5.12497222       7.62260212       2.51267747       1.01050303       1.94822552      -2.47865767 
Hf       5.48532893       7.67253343       7.83221833      -4.63766845      -0.80605864      -2.14097621 
Hf       7.52591327       8.05424820      10.15411016       0.79985848      -2.56577885       4.57321493 
Hf       7.84432877       4.87466886       2.25507728      -6.06102849       1.33746340      -4.38117635 
Hf       2.67460287       4.95758105       2.49837143       0.00875912       4.12865525      -2.11229928 
Hf       0.09301626       7.53403651       2.59843552      -2.20634064      -3.04445707      -4.27703093 
Hf      10.40775632       5.09586603      10.27064575      -0.25223815       1.29533450       1.79371632 
Hf       7.61985265       2.42908120       4.84364380       0.84691877      -0.54606865      -1.86653295 
Hf      10.02956081       8.19712763       7.86695115       1.58060522      -5.07778342      -1.22971896 
Hf       5.05223213       0.07026232      10.32901920       0.73787393      -3.53523793       1.74650543 
Hf       2.41753447       7.96219001       9.80013940       1.21792577      -2.85061741       4.99226779 
O       1.29917453       8.92844572       2.13271097       1.78337757       4.28131155      -1.91350107 
O       1.65094592       6.54579027       0.96394947      -1.04358132      -0.42673149      -1.19231398 
O       1.13206072       1.23615357       6.10358306      -0.42418301      -1.03855909       3.72925661 
O       1.29606408       1.10156420       3.82269299       1.29521844      -1.94504748      -1.43660219 
O       3.78063227       3.65088373       1.21446143      -1.34097960       0.47589760      -2.15539660 
O       0.96123046       1.46477651       9.24059710       0.84553882      -2.14663078      -2.73281872 
O       3.70846436       3.55757389       3.57661547      -1.00722998       2.52880360       3.64106294 
O       6.09117821       3.83676585       1.44782252       1.09823206      -1.00820784       0.26001233 
O       4.17326129       1.33022901       4.20694676      -2.45219362      -1.12579055       1.16489132 
O       0.52221838       3.30838979       4.25758443       2.72941322       0.96501461       1.39690536 
O       0.92382102       1.14695810       1.33194599       0.37497339      -0.23680679      -1.68780196 
O       0.94238502       5.99016452       3.34580844       2.08604936      -2.75997554       0.60212679 
O       3.43970773       1.15427858       1.35895328       0.86605979      -1.38598221       1.28072729 
O       1.19375740       3.71607507       6.67981028      -0.30051346       0.90680448       1.64491274 
O       1.30301919       9.09599555       6.85859715      -3.90020221      -1.16771395      -0.95677021 
O       6.64001799       2.08351774       2.86883827       1.73011777      -0.79997623       4.50405623 
O       5.85399224       8.95676746       9.29673277       2.18072483       1.54796848       0.31806954 
O       9.06499938       1.14971197       6.35830651      -0.60570773      -2.82733702       0.62424277 
O       4.19090940       4.08887013       8.96394612      -2.55704385       1.60700304      -0.74339832 
O       0.69707027       8.88317825       9.31979232      -0.40118378       4.15335240       2.40165512 
O       1.30870338       3.81390788       1.46567608      -0.82912709      -0.40117867      -0.30511948 
O       3.27504594       9.51988680       5.70743248      -3.87816776      -0.91681151       1.87380093 
O       8.38924447       8.89118112       8.52590467      -1.30899162       2.25732394      -0.70085489 
O       1.51253786       6.76823083       8.67428682       0.77286480      -3.39143114      -3.58481290 
O       0.75708587       8.16894414       4.31735784      -0.41192513       5.01595760       2.90842202 
O       3.58012635       6.29516016       4.13670233       3.40700790      -4.31161738      -2.06773687 
O       4.07940146       9.01710458       1.00267515      -0.63167745       2.10013553      -0.61842176 
O       3.53934313       8.44794802       3.37873050      -0.67733335       3.05105170       1.79373576 
O       1.79177953       3.85380513       9.22436957      -1.69201119       0.87289188      -0.23410085 
O       9.02241377       3.59446997       0.54172036       0.93103331      -1.02120889       3.77531971 
O       6.22902550       1.27173132       6.17116845       0.65408990       1.18172455      -1.71309628 
O       6.66580671       3.72012675       9.21468059      -0.83655810       0.96220992       1.07512627 
O       3.55215104       1.68651970       7.18741124      -0.03145365       1.38798493      -2.88663034 
O       3.47602210       4.57010223       6.03034436      -0.56773229      -4.74638719       1.41053731 
O       9.02545933       4.16003579       8.89899111       2.90739348      -1.11992438      -3.09811269 
O       9.11072840       6.31320064       6.65596587      -0.25552329       0.08221934       0.05500186 
O       9.05520092       3.25634870       6.18951925       0.34063067       4.18626178       0.58803144 
O       6.33847850       1.34698424       8.56054518       2.12512536      -2.48321619       1.48852009 
O       6.33410478       1.09487850       0.99603570      -2.90455589      -1.30992548      -2.95526931 
O       8.59507830       0.93298951       1.01846341       4.23243685       0.72704147       1.17610726 
O       6.80090986       8.70366481       1.43431987      -2.54223328       0.70629066       1.00188688 
O       8.98884050       9.16603107       6.08313787       0.11510877      -1.34696170       1.99423962 
O       1.48761627       5.75764198       5.69276336       0.64555245       1.50805694       2.84185464 
O       6.28581426       6.63272828       6.18647893       1.56544639      -0.97587200      -0.85160961 
O       9.66601966       6.63773469       9.41204538      -1.71120474       2.17506285      -1.59351540 
O       6.04092684       4.11146079       6.87597387       1.90287741       2.90722386      -4.15802950 
O       6.36426104       9.17714387       6.17595276       0.19260712      -0.73157502       1.89354860 
O       6.70816688       6.58247483       8.83089989       2.18894583      -1.27503471      -0.13207001 
O       4.31324358       6.59802498       9.23047147      -2.02998895      -0.29767461      -0.80011285 
O       6.61940481       6.08048217       0.82882413       0.80774869       1.97305485      -1.27548149 
O       9.13204900       5.88834964       1.28746265       3.28098235       2.14192544      -0.36378738 
O       8.86427943       1.45397978       3.52240066       1.36362071       2.38576844       1.09528593 
O       8.88777793       9.69357434       3.72050876      -0.16365987      -2.69494092      -0.08195069 
O       8.90490786       9.16816189       0.76359093       2.85307125      -0.73541366      -0.93424819 
O       6.94392567       4.20148717       4.35884282      -4.05691613       0.06243173       1.40396825 
O       6.67209606       6.78761507       3.36339249       0.28014324      -0.26680900       2.48131765 
O       5.93820821      10.14111271       3.71586878       0.81756428      -2.05162788      -1.03863469 
O       9.04642658       1.19046368       9.21875194       0.36986430      -0.07367192      -2.51685088 
O       9.21491063       7.12715440       3.99401098      -2.03028769      -0.73473828       1.25292091 
O       8.97464509       4.60254902       3.59292777       5.69493090      -2.10754885       4.32731276 
O       4.16128304       6.37832772       1.49156255      -1.46160972      -3.87085904      -0.31670025 
O       3.52242619       9.03797837       8.66638662      -0.09109734       3.69199311      -2.45716743 
O       4.05062360       1.42334899       9.52005604      -2.71284147       1.74831975      -1.42187083 
O       3.92312822       6.96013959       6.61639683      -1.82502203      -0.57576138       0.94021921 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04213266062158233 0.005212575268905085 0.00046396449077432453 0.005212575268905085 -0.03248635432216638 0.006645814126711792 0.00046396449077432453 0.006645814126711792 -0.04610799540509686" pbc="T T T" energy=-925.13673203 free_energy=-925.13682035 config_type=crystal 
Hf      10.16077493       0.06457405      10.40277776       4.20850034       2.09489963      -3.45366158 
Hf       4.74956292       2.31556721       2.61314775       1.34529073       1.77305984       1.27051062 
Hf      10.29999591       2.51979145       7.52678605       1.36813097      -1.86437349       0.30503291 
Hf      10.37858535      10.00464068       4.91644596      -1.01303054       1.46171615      -0.91056888 
Hf       7.65213773       5.07595095       7.91566168       5.80037486       1.55198839      -1.08893207 
Hf       7.78008242       7.70216533       5.09076931       4.09141185       2.24344379      -0.38311212 
Hf       7.68381976       2.22256665      10.43037378       0.65261701       1.67574548      -1.77503491 
Hf       7.56171259       0.07111752       2.33958284       0.18097863      -0.52764628       2.71150150 
Hf       2.33726113       2.56944844       5.45770476       2.20797168       1.12979010      -0.41642981 
Hf       5.41719188       2.86300148       7.92850664      -2.00493378      -1.11991215       0.16818096 
Hf       4.87461371      10.25194161       5.33790026      -1.47544018       1.23544869      -3.11341250 
Hf       2.40420598       2.25545741      10.37175144      -3.23693183       2.52678573      -0.91663742 
Hf       2.61477211      10.20129022       2.60095965       3.12444712      -0.57944148       1.59985810 
Hf       0.16411106       2.46331321       2.55180944      -0.46921915       1.34197431       1.73095633 
Hf       2.24354416       0.04848907       7.37972631       2.06633528      -1.58102643       6.97174925 
Hf       7.53494801       0.09714183       7.20671824       4.78726552       3.62976775       1.45818378 
Hf       2.87834964       5.32574869       7.82763016       1.64997056      -7.13197440      -3.42223647 
Hf       5.01852615       5.10628576       5.23725990      -1.53289632       0.65499377      -0.00959960 
Hf      10.30744847       4.99101355       5.31713950       1.12715391       1.66544710      -1.21696045 
Hf       2.44790174       7.42551468       5.10295835       1.16989912       0.17795324       1.09687263 
Hf       5.11091099       5.08701079       0.10954228      -0.11091548      -0.81957919       1.46411226 
Hf       5.30490703       7.69344961       2.52924693      -3.06022364      -0.72392003      -1.44156767 
Hf       5.39817929       7.59387460       7.80340614      -0.67883460       0.82923739       0.51605778 
Hf       7.59297293       8.13148886      10.22274750      -0.62237331      -2.58881187      -0.41133145 
Hf       7.90237212       4.88026305       2.26066843       1.15918596       1.66540521       0.90239693 
Hf       2.60027202       4.86291375       2.54828955       3.57934704      -0.13052197      -0.05803401 
Hf       0.04050943       7.57692835       2.55414654      -0.28074801      -2.12867791       0.34449146 
Hf      10.42343626       5.12947886      10.26947730       1.72837854      -0.01337407      -0.69628455 
Hf       7.70672179       2.47922780       4.87989076       2.25034109       2.03886958      -2.85149721 
Hf       9.91242258       8.14533763       7.87414059      -0.47169629      -0.79069094       1.39677549 
Hf       5.02854419       0.11069702      10.23198099      -3.53988234      -4.36756508      -2.54578148 
Hf       2.41044027       7.97185953       9.83971064      -0.57291098      -2.35466687      -0.44053535 
O       1.20292338       9.22266127       2.12705043      -3.93987724      -2.95228117      -2.58850208 
O       1.35232755       6.61698503       0.67845990       1.08428328       0.81379569      -1.26550783 
O       1.00464060       1.09574238       6.62012279      -1.02147114       0.67860655      -5.48186049 
O       1.45480306       1.01028303       3.61081001      -1.06229019       0.25855791       1.86629706 
O       3.64851240       3.77082198       1.15086210      -0.23583822      -2.39402399      -1.05730129 
O       1.32823760       1.08570152       9.04786495       0.34768038      -1.32708773       1.19941217 
O       3.95034725       3.78472152       4.08926627      -1.66115003      -4.26991867      -5.94816873 
O       5.99493690       3.67680306       1.71400122       3.26603991       1.74287570      -1.54656108 
O       4.11513621       1.32119301       4.44776261      -1.49126504      -0.06114503      -1.12766531 
O       0.95730490       3.45938681       4.26696319       0.64014479       0.05723509      -0.72919679 
O       0.74467536       1.24031880       1.10462263       1.77407711       0.55309137      -0.06418346 
O       1.23918814       5.95277475       3.12451079      -2.55292392       4.23622582       2.15822913 
O       3.40810107       1.10844929       1.47190661       1.57399169       1.99747855      -0.53554735 
O       1.38699799       3.61213419       6.91439435      -2.84283837       0.13028970      -1.81687698 
O       1.11444192       8.53533713       7.14049797       2.16327460       2.65732129      -2.17892589 
O       6.70400855       1.72965981       3.32326184      -1.34361597      -0.02801509      -1.93820823 
O       6.18182074       9.12234965       9.14684705      -3.51448825      -0.12033083       2.19786499 
O       9.46152769       0.96397323       5.90398478      -5.35257028       2.80896463       1.09473082 
O       4.28951712       4.04062000       8.98974049       0.14943252      -0.24715942      -0.63921463 
O       0.65454118       8.76234095       9.62414345       0.80788170       1.62281910       0.16472327 
O       1.03239612       3.96205568       1.41619513       0.87920210      -0.86365726       0.66492772 
O       3.13910842       9.40060426       6.15094429       3.58846302      -1.14121798      -4.24960064 
O       8.06611425       9.20468809       8.33306169       4.17319896      -2.36778439       3.18756516 
O       1.64079999       6.46384013       8.22478990      -4.71628737       5.33394855       4.13860838 
O       0.67881272       8.23631109       4.60055689       0.99440542      -0.43272806      -1.11553060 
O       4.00556943       6.01846449       3.87005454      -1.11132327       4.53360188      -0.14192630 
O       4.11536730       9.10259114       1.14730547      -0.86216510       0.08993552      -1.41440753 
O       3.31458452       8.57875877       3.60386202       2.17628518       0.27873542       0.42165940 
O       1.39608255       3.71391003       9.13043898       0.72986261       0.83126281       3.53386089 
O       9.18249304       3.55064726       0.51448166      -2.34219835       0.79164354       1.96574181 
O       6.31032233       1.68302734       5.91473106      -1.26284046      -2.38193917       3.91876067 
O       6.93879022       3.71120829       9.16187589      -1.46215749       0.91295220       0.88313925 
O       3.18363383       1.88575146       7.19235087       3.48328550      -1.66685714      -1.06274540 
O       3.33863711       4.26543994       6.02729211       2.85286473       0.11522293       2.95919680 
O       9.40727478       3.86865029       8.37878046      -3.08940036       4.55786670       2.46774754 
O       9.11815899       6.65070262       6.98426680      -1.83366012      -3.23408928      -4.63680244 
O       9.06217382       3.61285353       5.94722557      -0.75979845      -0.81570280       2.34075095 
O       6.60116327       1.37789135       8.93962916      -1.10405222      -1.73269323      -3.30383307 
O       6.04099812       1.23590008       0.80678922       2.70954442       1.23803471       3.93175586 
O       8.70177420       0.95131939       0.97979132      -0.88701299       0.40231284       0.84243986 
O       6.62555936       8.77759240       1.43139843       1.17886112       1.60756198      -0.50270015 
O       9.03493846       9.20084573       6.31011929      -0.73682272      -0.73601863      -3.31409223 
O       1.63461792       5.81930454       5.73795171      -1.08118424       0.57304374       0.20116297 
O       6.54783568       6.79550208       6.08045506      -2.90123663      -1.35691446       2.80681495 
O       9.52448220       6.62933462       9.14236982      -1.08645136      -1.17923852       4.11620001 
O       6.19044645       4.50929832       6.82989579      -1.01715711      -2.76343688       2.24050402 
O       6.33026222       9.42938997       6.38196577      -2.03984843      -2.84996092      -0.83282287 
O       6.81553533       6.55945588       8.84358011      -1.23415245       1.00236513      -0.08583765 
O       4.09297193       6.41253911       8.96437252       1.86820984       2.65104503       3.38713250 
O       6.63928913       6.25906338       0.82702112       1.42701043      -0.16842504       0.67451737 
O       9.50985296       6.04794475       1.49791742      -2.27151016      -0.03923260       0.07830814 
O       9.00148828       1.65341092       3.32082301       0.41623864      -0.44329687       0.83370195 
O       9.17536012       9.35713080       3.31290407      -1.18314466       0.56761060       0.54060739 
O       9.06460710       9.14717527       0.51440264      -2.01454012      -3.64439241       1.65863789 
O       6.42892102       4.04531294       4.50239963       3.38407181      -0.83714294      -2.10723965 
O       6.87548373       6.98093489       3.47085839      -2.01573710      -0.27624086      -0.83399581 
O       5.86274408      10.07486910       3.53519559      -0.60121718      -3.22825840       1.33396484 
O       9.29865572       1.18067151       8.96180893      -1.79069410       0.47100905      -0.26192252 
O       9.10291256       6.75678143       4.11488564       2.78753812      -0.84545891       0.18464928 
O       9.32944216       4.41537925       3.70595059      -3.31146105      -1.37097184      -4.28033432 
O       4.23178399       6.02500953       1.53748227      -0.94025191       2.53455991       0.06624246 
O       3.73357027       9.28778385       8.62710519      -0.91196648      -0.81284611       1.32841012 
O       3.94739578       1.61124072       9.43775822       2.42516841      -1.37433283       0.03736467 
O       4.06589671       6.68343974       6.59428918      -0.73684424       0.76294966      -1.23672288 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016957198736575148 -0.00869284967661413 0.005416038186643349 -0.00869284967661413 -0.016381353141262864 -0.0030900914579117546 0.005416038186643349 -0.0030900914579117546 -0.02587687489117055" pbc="T T T" energy=-931.26077081 free_energy=-931.26085625 config_type=crystal 
Hf      10.13638513      10.41649832      10.20218058       2.35439831       2.18570609       1.64287017 
Hf       5.00949037       2.46589209       2.72200429      -1.87109113      -0.37851123      -0.59326940 
Hf      10.06331138       2.37489685       7.25801926       0.14478622       3.41508681       4.97173903 
Hf      10.33065947       9.92462229       4.80053729      -2.45519959       2.06693603       2.99157589 
Hf       8.04727624       5.29744128       7.82470706      -1.65436997      -5.10188047       3.30638699 
Hf       7.93740647       7.43906233       5.18041357      -2.32676209       3.76255665      -3.31145242 
Hf       7.48612486       2.45619892       0.02502521       0.67042335      -0.40739124       0.93758711 
Hf       7.50409595       0.16870290       2.44180120       1.43921183      -1.82148054       0.81293665 
Hf       2.49685623       2.37497200       5.20071088      -0.86944741       0.44748449       2.18910582 
Hf       5.57863165       2.62924623       7.87796620      -1.35045894       3.21560549       0.51455848 
Hf       4.85527070      10.28055117       5.12066276      -0.31903233      -1.04807011       0.84848310 
Hf       2.37627305       2.49441866      10.36616144      -0.11779268      -0.82650739       0.76805102 
Hf       2.41171160      10.08321840       2.38829202       3.60593128       2.35354694       2.27588084 
Hf       0.19020822       2.26892867       2.67109335      -5.10632376       3.50678771       0.58576552 
Hf       2.12414386      10.31823912       7.53342570      -3.74465630       0.14477683      -0.02713141 
Hf       7.63882169       0.19663133       7.43393651       0.94820599      -1.17895982      -0.41252427 
Hf       2.82834936       5.13393998       7.87763003      -6.12407237      -3.04590597      -0.05374624 
Hf       4.94640252       5.31078453       5.34363490       2.09590125      -4.88741325      -0.61923546 
Hf       0.00569508       5.13575848       5.20913931      -0.55797528       1.82283044       3.72108609 
Hf       2.74864401       7.59465757       5.17878879      -5.57552707       1.07494267      -0.08102394 
Hf       5.08327687       5.29662261       0.21953901      -0.52304192       1.55340062      -0.23084466 
Hf       5.47019679       7.81898759       2.48077607      -1.06429714      -1.37995906       3.25086675 
Hf       5.17598521       7.61216742       7.78651600       1.97064258       1.68113644      -0.48939956 
Hf       7.61874982       7.99953540      10.31544360      -1.67838157       0.06190108      -0.05406706 
Hf       8.03320956       5.01462425       2.30004803      -3.15331101      -0.33771763       1.31090247 
Hf       2.51034738       4.84943904       2.54850693       1.41853846       2.63604848      -0.11015654 
Hf      10.34132965       7.61576371       2.41311334       1.83096315       0.96277975       0.67522042 
Hf       0.00967307       5.24800963      10.34470218       0.31069997      -2.21020944      -1.26659730 
Hf       7.91383146       2.69635509       4.71953058      -5.60287351      -3.43700821       5.43037531 
Hf       9.81114482       7.78210334       7.89619361       7.29864705       6.62362447      -0.52411449 
Hf       4.79622658      10.41846722      10.01356636      -0.02022841      -0.39074327       0.97375292 
Hf       2.40964746       7.88579209       9.94279298      -1.27649659      -1.31193380       1.43177641 
O       0.79298546       9.34770065       1.93823976      -1.58939291      -0.25736338      -2.31081752 
O       1.29638498       6.52030727       1.04066526      -0.20697273       0.81882776      -2.35404994 
O       0.59852922       1.42532971       6.07356705       4.02656702      -5.13000510      -3.97906112 
O       1.03468100       0.95226051       3.58854107       3.16370652      -2.49511718       2.73005342 
O       3.97124490       3.91628322       1.21375265      -4.52189439      -1.43568417       1.12474484 
O       1.37507845       1.17683711       8.97583531       0.55808235      -0.41696798       0.24904893 
O       3.73639164       3.57103395       4.04843940      -0.83216939       2.48799499      -3.02881830 
O       6.09575853       3.97535958       1.26491552       5.21476286      -1.18934316       2.75162193 
O       3.65843802       1.19677972       3.98270246       0.47465805      -0.40245178       1.11066999 
O       0.96490274       3.92633569       4.29252312       3.99923700      -3.50046709      -4.22919086 
O       0.81230271       1.54732803       1.12291106       2.21094021      -2.41438477      -4.65026073 
O       2.14671977       6.59710657       3.36026687      -1.99629443      -1.74287878       0.63206682 
O       3.57703631       1.23841563       1.71320035       0.07491272       0.64530726      -2.73263135 
O       1.17060397       3.50300972       6.61376207       1.90514507       2.84403340       1.43495132 
O       0.39767321       9.38090729       6.83762770       4.72503136       0.31464335      -0.40232232 
O       6.08520808       1.04962694       3.96800101       2.38700550       1.00598116      -2.43684221 
O       5.96033041       8.83116469       9.21290447       0.02672188       1.51772943       1.69340813 
O       8.67672827       1.43153408       6.14316278      -2.48387163      -2.46298537       1.02999995 
O       4.04944636       4.53398851       9.16887285       0.72042020      -2.16933362      -0.51122141 
O       0.85216544       8.94203063       9.27298172       0.55882238       0.76866132       1.13017016 
O       0.98906542       3.87477762       1.73494827       0.82894832       1.22861859      -0.87259060 
O       3.67840910       8.88885103       6.39186701       0.50170328       0.16097472      -0.35418149 
O       9.07391344       9.41391423       9.03513962      -5.80030661      -2.50216231      -2.19298596 
O       1.19198924       6.67821345       8.47400792       0.46953095      -1.40599358       2.14522577 
O       1.02352696       8.55747147       4.20127565       0.61607079      -0.58905570       0.45613708 
O       4.23595655       6.82544117       4.48026948       3.35982859      -1.83558895      -2.92460503 
O       3.28448875       9.19761963       0.74990522       1.50399124       0.77870162       0.44218091 
O       3.57232537       9.10349176       3.73176872       0.86199820       0.23257755      -0.66789760 
O       1.34794158       3.87224773       9.51669535       2.01682686       1.39984760       0.75312909 
O       8.82343791       3.75224029       0.70394615       0.66418826       1.15103979       1.75261693 
O       5.99066710       1.23927051       6.47901089       0.56722117       1.22937567       1.20533311 
O       6.67918775       3.75953115       9.34086497      -0.32798938       0.18485310      -1.46459655 
O       3.32576399       0.80055283       6.36934343       0.27741245       2.53359413      -0.58430760 
O       3.93657143       3.83039989       6.35980883      -0.78755552      -0.71357234       2.57483955 
O       9.70169182       4.22672578       8.73154708      -2.57773871       1.78634907      -1.01931237 
O       9.09366264       6.45931214       6.72163468      -0.14433970      -0.60999936      -4.51690053 
O       8.82949188       3.67897030       6.38343094       0.72634083       3.34143772      -2.70142390 
O       6.38196148       1.20097018       9.23248422       1.15377810      -1.88868538      -2.55658558 
O       6.30996679       1.29357208       1.27501666      -1.33761544       1.79418468       1.37250234 
O       8.75185769       0.92149731       0.99069794      -0.20150863      -0.27730472       0.85645206 
O       6.49022155       9.31341003       1.01742391      -0.90569163      -0.17683168       2.94064518 
O       8.87435273       9.10546589       6.30546758      -3.30914453      -1.66667233      -0.00722100 
O       1.35989451       6.20249274       6.14659465      -0.28036853       0.12907854      -2.11137441 
O       6.30742602       6.45171797       5.98332779       2.01783559       2.60923548       2.68830899 
O       8.85091975       6.77598722       9.16044652       0.75267017      -1.61783218       3.65076471 
O       6.62524150       4.27488391       7.01605862      -3.38329513      -2.62684892      -1.23338680 
O       6.35074782       9.29852584       6.89702024      -0.98065533      -1.11620859      -0.38713668 
O       6.61031732       6.46921809       8.82862915      -1.10256367       0.30322824      -0.25558285 
O       4.05087667       6.89544142       9.39653468      -0.53794549       0.85295116      -0.62384580 
O       6.42978626       6.74405610       1.18613309       2.55442122      -0.94737782      -3.31975942 
O       9.40046118       6.04903920       1.46612728      -0.77587297       0.45265181      -0.74003797 
O       8.88206956       0.75569146       3.82074827      -0.32944757       4.35798580      -1.69508150 
O       8.77448572       9.04067080       3.82860514       0.03474194      -2.65112750      -1.30256040 
O       9.24962681       8.66092389       1.06282712      -2.47904307      -0.48816309      -1.67862351 
O       6.35800979       4.09853681       4.08918788       0.86196684      -2.12742540      -0.14269252 
O       6.96283297       6.50942598       3.46510815      -0.21347000       0.05477019      -1.00476004 
O       6.11957165       8.59388296       4.39099897      -0.34982638       2.03207895      -1.77344545 
O       9.22132662       1.36795694       8.83297963      -1.53523492      -0.18292691       0.60559662 
O       9.33352240       6.57320680       3.90369981       1.44934379      -2.82123498       2.08172363 
O       9.13136158       3.49845640       3.72940556       2.43997964       3.99731503      -5.18229537 
O       3.91405758       6.45454897       1.53678909       1.67476637      -0.22647002       0.70579022 
O       3.33724908       9.47289932       8.72833752       2.95294876      -0.50154491       2.61686216 
O       4.12398046       1.89603356       9.44014399      -0.67928571      -1.31323026      -0.79150994 
O       3.67722925       6.48046507       6.95866156       2.66482455       1.14047668      -2.91897187 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015386811547462572 -0.00761158794959243 0.008926734683507373 -0.00761158794959243 -0.004596936863504132 0.0003265097076118813 0.008926734683507373 0.0003265097076118813 -0.025466525600421494" pbc="T T T" energy=-931.25263194 free_energy=-931.25282529 config_type=crystal 
Hf      10.19226731      10.39205514      10.15727545      -2.04613904       2.18674695       1.93508429 
Hf       5.11905934       2.50194333       2.72878189      -3.52851231       1.55754808       1.63120261 
Hf       9.99334661       2.40652152       7.21238339       4.62383452       1.22341009       1.97448699 
Hf      10.22533966       9.95861337       4.77332413       2.07122063       0.89280547       0.24505610 
Hf       8.10646480       5.30265774       7.85201693      -5.45267852      -0.94143634      -2.61152916 
Hf       7.94163251       7.39426585       5.12678633      -0.97977313      -0.06580837       0.12906881 
Hf       7.41412599       2.58955924       0.07032857       1.36575649      -1.33100956       1.16661318 
Hf       7.51577518       0.16669129       2.53831809      -2.70022355      -3.31325093      -1.57978121 
Hf       2.58065397       2.30507725       5.15317675       0.44247212       1.29798416       1.53438414 
Hf       5.54586752       2.58964621       7.89829187      -4.88502923       1.08064195      -0.91952482 
Hf       4.84975219      10.28883758       5.04284154       1.42869921       0.30334768       1.31626990 
Hf       2.40935880       2.54658136      10.38240854      -0.09458924      -0.56425140      -0.43416333 
Hf       2.41488778      10.12313994       2.29167852       1.22405600       1.84263183       2.20909526 
Hf       0.11724530       2.27124369       2.69868978       0.24867469      -0.36450710      -1.81520060 
Hf       2.10497251      10.24374605       7.63387327      -0.17355941       4.05275538      -3.38130012 
Hf       7.64878374       0.13073320       7.58434156      -2.01092310      -2.14246858      -0.33017573 
Hf       2.64806436       4.99241759       7.87677860       1.17531848      -0.94669069      -2.91719311 
Hf       5.02696966       5.25179138       5.38255451       0.50308480      -3.33165404       1.37207688 
Hf       0.11468621       5.18491571       5.20120656       1.81804355      -1.60002567      -0.84262374 
Hf       2.77462803       7.67541917       5.15787398       0.99171763      -0.77033433      -1.73534712 
Hf       5.08048438       5.37504072       0.25591617      -0.20685614      -0.90052639      -0.43866666 
Hf       5.49534927       7.83287959       2.52071143       0.96792994      -1.32727747       4.91592906 
Hf       5.12868396       7.73078223       7.78287020       2.60675701       0.67423088      -1.80529012 
Hf       7.57035464       7.89819203      10.36693751      -2.04558426       1.45741311      -6.00964434 
Hf       8.02032955       5.06608457       2.34708418       1.65606641      -2.72609203      -3.61664653 
Hf       2.47527723       4.97675053       2.48135454      -0.94011839       0.37696937       0.92825836 
Hf      10.29468295       7.65779325       2.35273739      -0.08700227       0.49876737       0.79849184 
Hf       0.01379257       5.27238677      10.42166862       0.72760330      -3.12792439      -1.73981157 
Hf       7.88431332       2.75823514       4.68117175      -0.33328897       0.85011306       2.24533416 
Hf       9.97019527       7.70114069       7.88880405       0.12580201       2.68583376      -1.86211457 
Hf       4.69181744      10.32306498       9.97573733       1.28362749       5.28101793       5.88905730 
Hf       2.40955211       7.82065046      10.03848838      -1.65696032       0.23413076       0.88293297 
O       0.55284855       9.40375919       1.65613507       0.26382402      -0.04954628      -1.91123893 
O       1.45061396       6.68412821       1.34033799      -0.99914053      -0.23464904      -2.99393564 
O       1.07088128       1.15057668       5.99003369      -3.51850344       3.59690109       0.44289725 
O       1.29574403       0.70829485       3.58645788      -2.84275988       2.45010693      -0.68169403 
O       3.75585291       3.97126813       1.56071210       2.87155437      -1.28764830      -3.21886917 
O       1.37002558       1.69394306       8.58235213      -0.14224360      -2.66924019       0.43683876 
O       3.92662759       3.82060562       4.12065179      -1.35354547       1.06098741      -0.76676949 
O       6.45663206       3.91006525       1.42814250      -0.29453610       1.28426320      -1.42645496 
O       3.82871577       1.19246545       3.76615730       0.19246906       0.65780746      -0.00454224 
O       1.03483297       3.28547383       4.09596380       0.65989061       1.30378653      -0.15486405 
O       0.96090360       1.27826401       0.85157483      -0.65364026       0.18503391       0.04004432 
O       2.30111171       6.44295745       3.59831724      -1.22017657      -0.09920989       1.95858803 
O       3.54790972       1.28167923       1.27554793      -0.82639841      -0.55928204       1.07126125 
O       1.49793531       3.64371260       6.70216451      -3.19777416       1.27144192      -0.67072059 
O       0.43207634       9.72105805       6.58991640      -0.22563201      -4.54469055       1.52663211 
O       6.22681964       1.01735452       3.82300143       1.19298393       0.76501962       2.10317090 
O       5.75327380       8.95068074       9.31846887       3.22256586      -3.29147639       0.79061975 
O       8.66330306       1.38189687       6.08255595      -0.59265385      -0.49922566       2.54946301 
O       4.08259658       4.46191647       9.28127963       1.22564517      -0.01092311      -0.14650948 
O       0.79543884       9.03193833       8.87505292       0.74838329      -0.20575775       2.60795597 
O       0.94930883       3.87640281       1.53994852       0.50197110       0.17724665      -0.17990965 
O       3.69035889       8.76508571       6.66377836      -0.73216701       1.05208906      -1.21581865 
O       8.44919622       9.27552825       8.91658960       2.36294411       0.14073047       2.61537927 
O       1.13783733       6.29715564       8.69941103      -1.42798606       3.69699929       0.46258958 
O       1.23780566       8.72751707       3.93136250      -1.22910350      -0.22635127       0.70169424 
O       4.61375707       6.83398630       4.49966795      -1.27898276       0.08528877      -1.34072908 
O       3.15520774       9.26520899       0.69979232       0.52226802      -1.45523971       0.65778839 
O       3.91562992       8.99391420       3.76659981      -1.40082298       1.16013765      -2.13493115 
O       1.76671225       4.28875246       9.37313362      -2.83265072      -3.03332192       4.92085944 
O       9.02316964       3.90776959       0.60799757      -1.13665094      -1.18206692      -0.46456672 
O       5.68159917       1.21530061       6.53818176       1.38696937      -0.57063835      -0.17644344 
O       6.62993527       3.64588099       9.10247350       2.09410701       0.96453736       2.00407316 
O       3.15095449       0.56514319       5.92510107       1.75448650      -1.30701864       2.04209508 
O       3.76760562       3.65238971       6.62178661       2.30061650      -0.33081067       0.57251556 
O       9.33517941       4.08090734       8.42618785       2.89359521      -1.88816649       1.82097600 
O       9.36525550       6.36602910       6.35541700      -1.06962021       1.52783730       3.52333708 
O       9.12860425       4.10768877       6.02682134      -0.98346524      -3.37300902      -0.62122752 
O       6.31912639       1.08271499       9.31843464       1.86025108       0.28223960      -1.51860076 
O       6.12510272       1.46324959       1.55277569       3.31299447      -1.06311059      -3.47132663 
O       8.59356185       0.87757831       1.11280511       1.62025021       1.17469516      -1.27730280 
O       6.21000464       9.28711810       1.46469937       0.41384893       1.19092637      -0.67005542 
O       8.45800290       8.83745686       6.74105890       3.30181928      -2.19124496      -2.69693901 
O       1.26781497       6.58222950       5.89197209       0.40844010       0.46873305       1.88725554 
O       6.52993115       6.57945616       6.12536867      -1.28431765      -1.89829012       2.41576605 
O       9.01006659       6.58325382       9.35151453       0.73731306       0.72087202      -1.53263036 
O       6.58511053       3.79261743       6.66689080       1.23189548       0.80155535      -1.12062525 
O       6.34222163       9.29997446       6.99234629      -2.76401623       0.16740653      -0.23058591 
O       6.50321670       6.16406200       8.83036162      -0.53592275       1.34487180      -0.10177451 
O       3.91498897       7.06166404       9.28364217       0.34827611      -1.95622420       1.16651253 
O       6.42979348       6.78164295       0.80356721      -1.16690629      -2.25279823       2.29889054 
O       9.33126055       6.19408325       1.23175169      -0.25284878       1.69817662       1.93476526 
O       8.87223301       0.84736019       3.78918786       2.54947850       2.90489747      -0.12316817 
O       8.70724352       8.68903411       4.01863156       4.90923410       3.98219107      -3.98046101 
O       8.73823457       8.63215262       1.05190763       4.03557198       1.78679753       3.70951518 
O       6.45898371       3.82596515       3.95546480       0.10807529      -0.80758936      -0.07569769 
O       6.89317046       6.17591612       3.15295102      -2.68445244       4.79958261       3.14090711 
O       6.43162475       8.54430300       4.36029585      -1.51963969       1.91708261      -1.14705840 
O       9.26088007       1.46774483       9.16599884      -0.67540450      -0.60812855      -2.13366351 
O       9.60704440       6.26068858       3.84822728      -0.25976177       1.31656588      -0.78125828 
O       9.17460341       3.95817502       3.44359216       0.06281029      -4.66477830       1.06099893 
O       4.16704385       6.72656802       1.73329451      -2.29205067      -3.18240828      -2.42960472 
O       3.47003114       9.46304173       8.93344636      -4.48133452      -1.06841453      -3.29744592 
O       3.87775829       1.72979409       9.41760440       1.10542347      -0.23792659      -2.61810333 
O       3.86324240       6.40752413       6.79856700      -0.29581251      -2.25610839      -0.26062839 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03836225428087336 0.015460619284053408 0.009256700052578873 0.015460619284053408 -0.025686056653011925 -0.002780320916039671 0.009256700052578873 -0.002780320916039671 -0.04572613378506241" pbc="T T T" energy=-921.79859513 free_energy=-921.79915258 config_type=crystal 
Hf      10.02918821       0.16151565      10.22548368      -0.68465466      -0.12845601      -0.58983348 
Hf       5.16452661       2.82670031       2.60781753       1.19416750      -1.64999307      -0.16385831 
Hf      10.15262595       2.35786646       7.27988431      -4.94609481       0.35123125      -1.03004301 
Hf      10.40085198       0.07827880       4.91451473      -6.00452898      -8.73464438      -4.89720324 
Hf       7.78098597       5.18442579       7.90439137      -3.86185028       0.64276444      -3.72471144 
Hf       8.04252480       7.49256387       5.03587472       0.33715416       0.04768447       1.08215784 
Hf       7.60387955       2.70917545       0.11245461       1.25060940      -0.30942969       0.37225599 
Hf       7.46713990      10.33364191       2.52224514       3.69100588       1.90546591      -0.66318305 
Hf       2.69885306       2.12102075       5.12085869       1.43878982       2.67590805      -2.33055975 
Hf       5.12413545       2.40211849       7.91070510       3.50791039       1.44769881       0.64175529 
Hf       5.27114872       0.00062190       5.02202616      -1.46123655      -1.15095651      -0.29277185 
Hf       2.76481513       2.59557385      10.33621503      -4.24169466      -0.77834106       1.79070756 
Hf       2.55070839      10.22754856       2.19341158      -3.90996736       2.09236031       4.59165897 
Hf      10.38342523       2.31816209       2.31416275       0.28448650      -1.59457522       2.18071702 
Hf       2.10365429      10.40809961       7.60667361      -0.13675289      -1.72576785       0.11600219 
Hf       7.56082307      10.14134454       8.00380603       2.36405544       1.25059540      -2.60697575 
Hf       2.47842902       4.59569178       7.87451089      -1.17918533       4.31377854      -0.41455321 
Hf       5.24701418       4.83190407       5.42379678       2.13123493       1.67880378       0.43881827 
Hf       0.47577315       5.41254530       5.28758505      -2.41912402      -1.01352324      -1.49179426 
Hf       2.75442764       7.86564539       4.82760958      -1.03552091      -2.07242040       0.43384277 
Hf       4.80590352       5.40086691      10.43568820       0.98176061      -0.16893388       3.27229500 
Hf       5.38846467       7.83843452       3.06163395      -1.34951257      -2.05482424      -2.02984290 
Hf       4.99316781       7.83466920       7.88527349      -0.01932941      -1.10238810      -4.13958016 
Hf       7.55519560       7.63454311      10.25250134       4.50077684       1.01399782      -2.37609060 
Hf       8.01872120       5.26465319       2.33741959      -0.31865795      -0.39646612       4.99632342 
Hf       2.45363250       5.12394277       2.38933382      -2.61425494      -1.81092019      -0.66329362 
Hf      10.10177968       8.05261463       2.19285206       3.16246254      -3.46491107       3.36364683 
Hf      10.45797535       5.03705593       0.00611854      -2.79799678       4.35835341      -1.44855182 
Hf       7.81046340       2.62476565       4.85980916       3.23006500      -4.44605110       1.09322678 
Hf       0.11940574       7.71329363       7.57547177      -3.52766719      -0.39260989       0.19732048 
Hf       4.50117268      10.24452274      10.26658958       3.45316649      -0.16751527      -1.47768960 
Hf       2.29713246       7.68359505      10.38844513      -2.73868749      -0.93254748      -0.38226786 
O       1.10707581       8.98442921       1.13447611      -0.08724433       0.97149964      -2.04599131 
O       1.05631379       6.41709505       1.82066404       0.29373544       0.12741220      -4.39046681 
O       0.74804443       1.59169195       5.21617971       1.95801551       6.07849377       3.37246657 
O       0.64279674       0.40599562       2.89979353       1.10423421       1.10893985       1.11260485 
O       3.55874464       3.90565553       1.47239726       2.95780811      -5.31447005      -5.40498372 
O       1.17736712       1.73927364       8.42525730       2.09931576      -2.13834006      -0.91040415 
O       4.36901210       4.15348667       3.73662975      -1.59328109      -0.06087081       1.08221031 
O       6.22764814       4.17362552       0.72849075      -0.26100485      -1.39393693       2.11628882 
O       3.84631594       1.34954344       3.54543122      -1.22202141       0.94179531       0.33496350 
O       1.69128580       3.38315980       3.66178940      -0.33114158      -0.07572665       0.62721439 
O       1.04626415       1.56739341       0.78769511       0.09996627      -2.07566239      -3.16791427 
O       2.21429176       6.19643082       3.79503732      -1.02020710       2.40176334       7.52858561 
O       3.44405006       1.18823920       1.11013120       2.77285038      -1.19491479      -0.85341471 
O       0.80657299       3.87409271       6.58239214       4.33658270       1.58112230       1.76487977 
O       0.43967156       9.63589092       6.62222451       4.39376980       0.93304153      -0.75917263 
O       6.20362790       1.24765937       3.78083039      -0.08997786      -0.71407924       1.88462365 
O       6.18294344       9.09332856       9.21655843      -3.36484820      -2.62164287       1.01657711 
O       8.37390164       1.30493241       6.61475437      -0.01404171      -0.31897628      -2.01033001 
O       3.79315141       3.60053220       9.03236430       3.28550010      -0.07945772       1.29696707 
O       1.04007601       9.09132962       8.85853527       0.15616601       1.23789739       1.35732893 
O       0.58824429       3.85118419       1.36273493       2.12520672       0.43976013       2.41853264 
O       3.45477561       8.40195472       6.56855813       1.07198187       0.86582461       2.60497626 
O       8.44328575       9.27486804       9.47459359       3.18707137       1.39470160       1.38955157 
O       0.79942123       6.54166450       9.05532788       1.11371735       0.48539881       1.90834427 
O       0.89213659       8.59018818       3.62957235       4.83482415       0.43161870       3.84491047 
O       4.65640317       6.71317694       4.61042777      -1.75317907       2.19146094      -1.94689958 
O       3.51654869       9.06264249       1.07508702       0.94012799      -2.51646536      -0.31812963 
O       3.80687281       9.34365232       4.10167615       0.97331978      -1.50622778      -4.50516476 
O       1.43246672       4.03975026       9.73314651       3.36021428      -1.50188871      -3.42273379 
O       8.78767690       4.30808552       1.01670425       0.12016088      -2.60096028      -5.31405440 
O       4.93394157       1.49016102       6.22353126       0.42100618       0.04998690       1.01998223 
O       7.29658763       3.26105734       8.81382178      -2.54167845       0.44769231      -1.54553305 
O       2.84967110       0.21497292       5.53957818      -1.56497485       0.72452679       3.41656763 
O       3.62394467       3.44079559       6.79732205      -0.72572350      -2.41830311      -3.43817444 
O       9.33031231       4.68489520       8.71628956       4.68136376      -3.18566218       2.43932383 
O       9.30295566       6.37255498       6.21186061       2.89687733      -0.77274137      -1.37180117 
O       9.23685072       3.51158059       5.77363171       0.24226833       1.71485621       0.37320792 
O       5.99449271       1.07617372       9.59250496      -0.20323151       1.33744824      -0.85149055 
O       6.95391210       1.81375625       1.66242996      -5.47427729       0.06886784       2.04628394 
O       8.76152071       1.05913894       0.95364801       3.47422219      -0.18201183      -0.82806349 
O       5.94574126       9.47011856       1.87009999      -3.61594821      -0.92789884      -1.99271213 
O       8.89089508       9.12928602       6.89880463      -2.35357655      -1.32035184      -0.74896591 
O       1.61668325       6.50988901       6.50382479      -0.77710758       0.46153257      -0.54856339 
O       6.58505694       6.36226106       6.32172117       2.06275553       0.63639753      -0.65297941 
O       8.77042766       6.96335041       8.16558742      -2.64920171       1.08677007       4.53540467 
O       6.55272224       3.66404194       6.67656094      -1.84446174      -0.27662942      -1.35982160 
O       6.23647879       9.21145323       6.75636352      -2.70057481       0.50946664       0.40656690 
O       6.12261826       5.80101150       9.06964606       1.43784929       2.40440254      -1.83550313 
O       3.23006786       6.00540331       9.36961729       0.08291853       1.38166383       0.11310966 
O       6.20430307       6.91406895       0.82210839      -1.39371487      -0.68138927       2.36005025 
O       9.29885542       6.78163667       0.66025782      -1.92370136      -1.38905016       0.53262832 
O       8.62820759       0.98342896       3.54580172       3.30966156       1.44859809       4.38954525 
O       9.07899604       8.86595392       3.88713339      -1.94810112      -0.16750697       0.66479476 
O       8.71456285       8.94700940       1.39501499      -4.33546203       3.18157033      -1.81120523 
O       6.76985874       3.86006884       4.02410664      -3.63030517       4.30189501      -3.42260230 
O       6.90739539       6.68332043       3.41446493       2.19588052      -1.00081279      -0.21882623 
O       6.41708061       8.86959553       4.39007271       1.21773892       1.73072870      -0.43103032 
O       9.09734423       1.24270928       8.75630718       1.32246125      -0.55297898       2.77350868 
O       9.67016951       6.20628223       3.87827145      -2.33014009      -0.17702779      -2.94476937 
O       8.89592765       3.30285861       3.10426665      -0.57553575       2.46237523       1.00902740 
O       4.08217239       6.30814295       1.66302695      -1.80791269       1.23627985      -0.06372149 
O       3.39674524       8.68456766       9.11649790       3.17956778       1.23118385      -0.86147481 
O       3.53706244       0.91472840       8.89053965      -0.12964584       0.41675245      -0.28565840 
O       4.37196126       5.73301166       6.78848962      -3.70327502       1.41093367       4.75903116 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03601791195229504 0.011532021763477228 0.011960615728140826 0.011532021763477228 -0.007587576764121012 -0.006578720550008415 0.011960615728140826 -0.006578720550008415 -0.03172071362183742" pbc="T T T" energy=-926.76056932 free_energy=-926.76109161 config_type=crystal 
Hf      10.01310303       0.20374991      10.29244224       5.43943464       0.34118274      -1.74553864 
Hf       5.18194394       2.88283901       2.53567945      -0.50770691       1.24201774      -0.13770819 
Hf      10.10084474       2.28934393       7.28034806      -0.77026079       5.28082023       2.77073214 
Hf      10.41291354       0.17082272       4.87938608       1.88837160      -3.57127570       0.65586935 
Hf       7.65695554       5.16435402       7.87141499       1.50466394      -2.95920935      -1.33589852 
Hf       8.12510448       7.57284319       5.07858958      -1.95382924       0.20110695       0.91219598 
Hf       7.68919059       2.62615023       0.05864149      -3.41750812       2.07077000      -1.87429278 
Hf       7.49892314      10.30178374       2.47826607      -3.46459762       3.15615822       2.41616079 
Hf       2.68270863       2.14435326       5.03201520      -0.59045535       3.56482135       0.55421293 
Hf       5.08365983       2.31046190       7.93329681       2.78082174       1.79627789       2.35851107 
Hf       5.39538031       0.05492578       5.06648417      -5.70904133      -3.58913523       2.83365268 
Hf       2.82069962       2.51717971      10.34415469      -4.18058378      -2.25278214      -2.90957203 
Hf       2.55702045      10.20285366       2.28582666      -0.35631797       3.41153437       0.35867948 
Hf      10.36656837       2.32325693       2.23394498       1.57783760       2.60558921       3.60661166 
Hf       2.20108331      10.42231156       7.64038796       1.61908779      -2.86633978       0.63703897 
Hf       7.62448300      10.04830012       7.99541926      -1.48632732       0.15020677      -1.88220385 
Hf       2.56532873       4.65749008       7.87006663       4.69184932       3.50486732      -0.63846123 
Hf       5.24790161       4.82541702       5.41265562      -2.99201385       1.61747452       0.20131773 
Hf       0.41857547       5.40693741       5.29930583      -2.35305794      -5.20790878       1.19664567 
Hf       2.72978727       7.91345625       4.80886211      -0.62383275      -1.59881816       5.42362140 
Hf       4.72622612       5.38583744      10.34368036       1.05626603      -1.64397843       1.20334876 
Hf       5.28612868       7.84761977       3.12127381       1.12848448      -1.94469206      -3.38433994 
Hf       4.89698762       7.76681191       7.87993719       0.87680601       0.69722385      -3.33437619 
Hf       7.66648564       7.60347221      10.18756317      -1.92183291       0.92712740      -2.14747976 
Hf       7.99716648       5.30307973       2.43482003      -3.33476520      -3.72698766      -2.76708043 
Hf       2.42812972       4.99742127       2.41430659      -0.11375234      -0.12408788       3.65577723 
Hf      10.07930101       8.13698602       2.23713780       0.61360501      -1.38053715       0.00247334 
Hf      10.40406939       5.03001804      10.40787846       2.18874553       1.51154272      -2.82366026 
Hf       7.83045583       2.45412557       4.91965144       0.16329490       5.52623330      -2.52708850 
Hf       0.15289810       7.71598093       7.51507102       0.14704358       1.68633086       2.37316961 
Hf       4.57987233      10.17960258      10.31562812       3.91453462      -1.11514645      -1.11704824 
Hf       2.26740971       7.68034446      10.43670081      -2.26171097       0.41775365      -2.63260617 
O       0.77439079       9.23145005       0.80907002      -0.61407408      -1.07194192       3.23497215 
O       1.24095986       6.63541360       1.34366394      -0.63425388      -0.70751911       2.10653812 
O       0.68169542       2.00042427       5.64005862      -1.51663208      -3.61531781      -1.08940525 
O       0.78046391       0.56718253       3.16194954       0.26778127       1.04871655      -1.14394702 
O       3.70991958       3.68507126       1.00785927       0.00988337       2.79182771       4.05759861 
O       1.38563047       1.58411966       8.23617556      -3.50893099       0.86107430      -1.05555308 
O       3.84961018       4.22354165       3.94252753       0.68185105      -1.50350035      -0.68639002 
O       6.07062437       4.20339809       1.23382714       0.45005706      -0.42703602      -0.76567476 
O       3.38132413       1.42977230       3.37758456       1.46317124      -0.61684127      -0.84958467 
O       1.39946648       3.42342976       3.78437226      -0.28992400      -0.80997483      -0.63679835 
O       1.18239634       1.26661984       0.68118268      -0.76173912       2.19200131       0.98810021 
O       1.79823686       6.04529512       4.34928760       4.43305673       2.10268143      -5.71678150 
O       3.81487265       1.05934156       1.00503161      -1.05808664       0.95227118       2.77059740 
O       1.37719189       4.18258469       6.54741515      -2.92055265      -0.99023589      -1.80911535 
O       0.86372923       9.60200325       6.48201019      -3.30278135      -1.00705347      -0.24526538 
O       6.20633435       1.27093296       3.94361476       1.77213724       2.08894334       0.85118026 
O       6.11509923       9.07870602       9.10518823       3.66129208      -1.47926880       1.75029851 
O       8.15743342       1.45312292       6.46142590       1.16791429      -2.79971603       2.14777923 
O       4.17610810       3.71258815       9.08667226      -0.97127924      -1.40829819      -0.29301264 
O       1.14639774       9.08179899       8.91512685       0.54497509       0.70306417      -0.54746624 
O       0.83973379       4.03241377       1.62166045      -0.75514399      -0.79400952      -3.18815785 
O       3.47440664       8.62567090       6.73155454      -0.16349757      -0.61683631      -1.27995804 
O       8.58261149       9.68987066       9.71726552      -3.15239407      -5.16361063      -4.78383693 
O       0.60115592       6.70938807       9.32607068      -1.01749740      -0.26136258      -0.59314915 
O       1.08686882       8.71253848       4.11863003      -0.61870576       0.52037206      -2.88309933 
O       4.46309706       6.68859990       4.53943250       0.34869577       1.29347507       0.25736259 
O       3.41644535       8.97345728       1.06012108      -1.96667088      -0.46286237       1.07551924 
O       3.83799709       9.22378765       3.60588409       0.00901192       0.12261589       1.46562096 
O       1.46440548       3.88842868       9.18746459      -0.32406234      -1.04436760       4.34338557 
O       8.73047022       4.27422862       0.62834910      -1.40346310      -0.82386956       2.38929478 
O       4.74710012       1.41970068       6.27519578       2.14644865      -1.53008771      -0.08494235 
O       7.12502704       3.27774423       8.76047095      -2.10214908      -0.40364455      -0.60784649 
O       2.71470140       0.28318743       5.72722395       0.23554098       1.17123566      -1.65282559 
O       3.74650450       3.28123272       6.50938506      -0.44796343       2.92984327       0.79938122 
O       9.50678344       4.19137850       8.86959542      -0.17466932       1.01066734      -2.24163992 
O       9.76046958       6.84943368       5.86275653      -1.27188927       0.39549050       0.21070566 
O       9.22224765       3.90870611       5.91718988      -0.38917821      -1.30463449       0.29911504 
O       5.86972367       1.17094140       9.57017156       1.34122486       0.38301134      -0.93348794 
O       6.69911759       1.83618887       1.90745616       1.15584196      -1.07373335      -2.39088963 
O       8.54206082       0.99918969       0.69571919       1.19401581       2.00696266       4.83650496 
O       5.64084850       9.34485531       1.69046881       3.37299424       1.26504002       0.92565383 
O       8.88065799       8.95861967       6.80856338      -1.51342589       1.56654760      -0.24433997 
O       1.65959875       6.78132373       6.59324570      -0.58189165      -0.27968168       0.45552468 
O       6.89038582       6.56012740       6.55629708      -0.53288308       0.16824727      -3.80016883 
O       8.49192595       7.00011242       8.21429063       0.37994997       0.59073671       4.61934978 
O       6.59818574       3.84656755       6.36406145       0.08094408      -1.61180293       0.36899253 
O       5.90498106       9.38147121       6.83287563       1.77671029       1.86518681      -0.01748751 
O       6.03723332       5.50491203       8.75658632       0.98681201       1.88886286       3.51386035 
O       2.99412612       6.09778720       9.39025057       1.11505557       0.43768394       2.66032658 
O       5.94609941       6.71606624       0.56722837       3.21376890       2.74419086      -0.22312397 
O       9.03471438       6.79702481       0.84145799       0.23937102      -0.25629515       1.00593638 
O       8.91228391       0.98189974       3.83475853      -1.54557856       1.66759872      -0.80931302 
O       8.96455170       8.92798573       3.85490273       1.56126159       0.70545794      -0.98809541 
O       8.60286631       9.38025796       1.38301822       3.12887271      -5.08668271      -0.15569069 
O       6.38478045       4.04494380       3.78253555       1.13966068       0.09589397       0.81304035 
O       7.13890658       7.01271781       3.14668260      -1.21630658       0.20679617       1.30496493 
O       6.60936239       9.09345886       4.58290575       0.28336101      -1.45471423      -2.95725265 
O       9.02513038       1.75219647       8.97962784       1.53579097      -2.83548676      -0.37604597 
O       9.37774398       6.04045984       3.33588554       4.50664646       3.96799232       3.08849310 
O       9.03965171       3.73321745       3.15907804      -0.35553001      -3.90510268      -0.08620362 
O       3.81913941       6.32224260       1.89825700       0.52259401       0.65009979      -0.70892305 
O       3.91970619       8.59587206       9.31607765      -3.03948787      -0.46655498      -0.00389600 
O       3.39168399       1.01431346       9.14183510       2.23330442      -1.07103042      -2.14442222 
O       4.40202134       5.91762056       7.48668888      -2.26596488      -1.37055175      -4.20791426 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02844688499900997 0.0030596346971735813 0.00974323948891815 0.0030596346971735813 -0.03165237387790499 -0.002458512662625916 0.00974323948891815 -0.002458512662625916 -0.017874057265734385" pbc="T T T" energy=-923.13562445 free_energy=-923.13600185 config_type=crystal 
Hf       0.01996490      10.24486373      10.41939348       0.30686159       1.71009149       0.86101577 
Hf       5.09907099       2.84528639       2.72275890      -0.59540050      -2.67115946      -0.91010057 
Hf       0.15024398       2.34233116       7.92124268      -8.06100088       5.83319566      -5.00713438 
Hf       0.07237262      10.02015976       4.95444475      -3.32669464       2.12489066       1.10695883 
Hf       7.82255897       5.21016981       7.73483003      -1.31494036      -1.48324606      -0.64587468 
Hf       7.24567930       8.09048752       5.36760281       2.50001207      -1.32955386      -0.97427918 
Hf       7.81300940       2.29745451       0.03356018      -0.63853409      -1.95133950      -2.08881958 
Hf       7.75482236      10.46136660       2.83519750      -1.71324638       0.36425132       3.52903800 
Hf       2.24713302       2.58570517       5.44686282       1.51930910       1.02467800      -1.89113947 
Hf       5.24250692       2.30925567       7.12375550      -0.84409751       2.45310339       2.34407064 
Hf       4.44216707      10.15378728       4.74223836       1.82840221       0.52012631       1.41139720 
Hf       2.62163186       2.42398019       9.97984741       2.85489195       1.09061705       0.12037478 
Hf       2.25823703       0.54138178       2.10556720       3.81083853      -0.72730126      -1.16934394 
Hf      10.20706851       2.41098556       2.68112363       0.14617090       0.08201249       0.51775924 
Hf       2.71644151      10.20589964       7.74263311       1.70480039       0.54749793       0.30689905 
Hf       7.76603637       0.06865597       7.89015597       0.80461049       1.09616372      -2.98400895 
Hf       2.04159946       5.28002971       8.03605710      -0.81078983       0.49303944      -3.33076737 
Hf       4.93772583       5.14010834       5.05822822      -1.49626212       0.51858948       1.37582886 
Hf       9.91874343       5.18435095       4.59287114       0.20393797      -4.34024951       3.40698511 
Hf       1.95450288       7.30325355       5.32665987       1.23115126      -0.39521868       2.58894176 
Hf       5.59957263       4.80708453       9.96393020      -3.94835668       2.24866550      -1.42274145 
Hf       4.87783007       7.83837215       2.56172490       0.28258402      -2.66487463      -0.92402730 
Hf       5.22909322       7.95425098       7.69900841       4.05699359      -0.06694249      -1.23039418 
Hf       8.16421300       8.15717940       0.49159867      -0.53704130      -4.65292626       0.23714167 
Hf       7.37021829       5.19767966       2.03149643      -3.32694098       2.25233049       1.45338959 
Hf       2.77641147       4.96752426       2.22057001      -0.39372985       1.79839281       2.30522607 
Hf       0.54566036       7.55385509       2.57966648      -2.84570720      -1.46883941      -6.17282677 
Hf      10.04542056       4.90916577      10.38238364      -1.60810800      -0.43940528       2.11514311 
Hf       7.78213275       2.53689918       5.24389097       2.95889925      -0.46778117       1.10689405 
Hf      10.06846776       7.64239988       7.75997874      -0.84600498       0.14924762      -1.37342629 
Hf       5.69651989      10.02386406       0.03071170      -4.97315275       3.92756766      -2.98306365 
Hf       2.90179948       7.88677330      10.02692595      -1.97285809       0.01034148       2.15187890 
O       1.45178701       9.53208767       1.02055173       1.23344061      -2.41666589       2.21574009 
O       1.83709587       6.45950032       1.02605392       1.03971350       3.67037812      -0.16602571 
O       0.62401724       1.35564094       5.79985059       3.56325328      -0.58251522       1.08566997 
O       0.79602788       0.78964873       3.30343383      -1.62721079      -0.73927429       1.24661612 
O       3.67644030       3.60610451       1.24818174       0.23259482      -2.22748969      -1.79613167 
O       1.20237317       1.13442074       8.63569836       5.79243751      -4.23829723       2.76694135 
O       3.76203906       3.69660668       3.93067665      -0.29807619       3.13385048       0.06420196 
O       6.31480919       3.71589840       1.03074926       0.97026407      -1.23149906      -1.14417680 
O       3.30372584       1.69050209       3.40208813       1.94748347      -3.49090264       0.63465883 
O       1.30508605       3.25661234       3.90437101      -3.07178656       1.05864267      -1.68744297 
O       1.22934185       1.87577811       0.76090697      -2.02422249      -2.06943795       3.08865073 
O       1.07764171       6.08379734       3.89377534       0.94531162       0.56831789      -1.19273490 
O       3.72418868       0.55405938       0.76776056       1.37985738       1.54076063      -1.19347378 
O       1.15470905       3.76244620       6.67573453       1.47768829      -1.17616931       2.21205872 
O       1.12507338       9.00877757       6.37649656       2.43790560      -1.48190201       0.14151197 
O       6.48416570       1.41221148       3.89207971      -1.76924075       2.02875543      -1.50597351 
O       6.77730314       8.70855316       9.21679005       1.43006860       1.45987599       1.39299893 
O       9.11310308       1.61352800       6.83526715      -3.63100072      -0.13002160       0.26585595 
O       3.20995685       4.15597992       9.07553005       1.60290232       0.42870717       1.60519990 
O       1.80607552       9.27460565       9.21136824      -0.39057879       1.71925943      -1.10372154 
O       0.78706253       4.57065338       1.59778276      -1.42392965      -1.46621473       0.49892827 
O       3.55715043       9.01166980       6.35625775       0.84841831      -1.08130624      -2.28626184 
O       9.44471594       8.86383703       9.60420754      -0.42492752      -0.17979115      -1.09426772 
O       1.34065135       7.09375581       8.64259014      -1.05571231      -2.14512589       1.72253074 
O       1.12950069       8.59853497       3.93375330       1.05024591       2.44640531       0.89741860 
O       3.65619564       6.51879396       3.72509024      -0.89392516       0.12928735       1.35407410 
O       4.39927041       8.53994205       0.72152863      -0.53587400      -0.51013361      -0.93382464 
O       3.61100311       9.22068934       3.26367232      -1.79824841       1.89174701       0.44934030 
O       0.74106745       3.78451135       9.49163466       2.37474052      -0.89772208      -2.51978445 
O       8.95663172       3.47342010       1.05956146       1.23273489       1.86613964       1.15843176 
O       6.68339014       1.30509254       6.20331056      -1.08004037      -0.50702240       3.38167038 
O       5.99859766       3.73504726       8.36646666       0.69588733      -1.28499236       3.45981898 
O       3.96268166       1.08271908       6.11545132      -2.57869847       0.64645581       0.26439580 
O       3.89687177       3.82632079       6.22771167       1.48369242      -2.37809596       1.47095328 
O       8.72196203       3.52577266       8.91844715      -0.43996379       2.24335321       1.19414200 
O       7.85923359       7.09083375       7.03369374       1.89836946       0.86342044       1.29742076 
O       9.23829924       4.52151248       6.43889070      -1.93243930      -1.60601314      -0.77867859 
O       6.50193951       1.15442615       9.12167385       1.40500696      -1.26274101      -0.26341331 
O       6.59298174       1.32802137       1.33010174      -0.31201863      -1.83770405      -0.36453716 
O       9.14210251       0.58186588       1.69183820       1.74038051       3.79436456      -4.09954390 
O       6.56956676       9.15567246       1.46658747       3.77481222      -1.09616152       1.62964910 
O       9.56280534       9.43117843       6.93851067      -3.98528053       0.49227020       1.00677784 
O       0.40929823       6.12732700       6.51188669       0.66141649       3.03755358       0.13653895 
O       5.57902330       6.96597115       5.96554090      -0.37219419      -0.58210211      -3.36152444 
O       9.03010946       6.46797910       9.32054411       1.32960013      -1.41777668       0.08123788 
O       6.65344770       4.05174924       6.27656423      -0.70362130      -0.37743983      -3.68300553 
O       6.23870045       9.56112468       6.51475139       2.02181611      -1.82058058       2.43635526 
O       5.87527149       6.06602584       8.16143014       1.04319136      -0.76390355       2.40254340 
O       3.74621490       7.14914158       8.50713679      -2.45934726      -2.47756012       1.64499350 
O       6.83691411       6.14180866       0.20427762       2.68986145       0.22933665       0.86209461 
O       8.66135352       6.66236103       2.23127944       4.04960245      -0.27700658      -2.14793490 
O       8.95665976       1.09595767       4.05823786       0.72434288       1.47904493       0.90929134 
O       8.78915996       9.09848305       4.25041393      -0.44579330       0.43393605      -0.00714662 
O       9.66799463       8.93842618       1.74727453      -1.13903992      -2.32673211      -1.80807274 
O       5.72176217       4.66442708       3.24568793       3.25313344      -2.23229672       2.34635095 
O       6.49403177       6.94485067       2.90590317       3.08397377      -0.23361470       3.03573866 
O       6.15575948       9.30695866       4.23398347      -1.65511841       0.24669703      -3.38872489 
O       9.27311066       1.12186434       9.33577400      -1.28121922      -0.59727921       1.14968945 
O       9.03614720       6.62054395       5.03566361      -3.26179623       3.95591540      -1.96282460 
O       8.63402806       3.52351740       3.65175410       1.18842403       2.85865695      -1.03897293 
O       4.92135241       5.93000449       1.72751110      -4.33666117      -0.09553449      -4.04362800 
O       4.54966447       9.58888879       8.63087815      -2.57671910       1.34671413       1.48087349 
O       3.95174731       1.65078422       8.78900631      -0.71528433      -0.56778363      -2.23979309 
O       2.78253012       5.93100192       6.38387952       2.63944799       0.57095670      -0.94507103 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009193985219085779 -0.006054097640718738 -0.005151650575127405 -0.006054097640718738 -0.029821291179584788 0.017884874668619308 -0.005151650575127405 0.017884874668619308 -0.028186133035352307" pbc="T T T" energy=-930.36941658 free_energy=-930.36946647 config_type=crystal 
Hf      10.42030509       0.13356870      10.09542482      -1.96283423      -0.55310521       0.79706828 
Hf       5.02419580       2.47872668       2.66927715      -0.34358749       0.43373587      -4.41126451 
Hf      10.28113508       2.89516412       7.32258881       0.34989370      -0.63402584       4.12275755 
Hf       0.38790312       0.13481083       5.54907364      -5.54596021      -1.13271120       2.34726743 
Hf       7.55747849       5.60030851       7.79219873      -1.04690498      -1.78749201      -1.74004301 
Hf       7.86263615       7.65293118       5.28650138       0.32681241       3.39606537      -1.02604367 
Hf       7.72321454       2.56598151      10.15656229       0.80667026       2.42691166      -1.41719157 
Hf       7.78454301      10.28071476       2.42378499       3.30321260      -2.45307553      -3.24074869 
Hf       2.52419876       2.38864305       4.91413293      -0.09512687       2.87707981       2.41148644 
Hf       4.95713729       2.23429769       7.41630097      -0.20585712      -0.55313126      -0.65264624 
Hf       5.42487909      10.05754293       4.87922040      -3.30385976       1.22080680       2.58894071 
Hf       2.63109488       2.50287419      10.22734436      -1.52569545       1.82443691       0.47965244 
Hf       2.34487644      10.40903508       2.33338131      -1.47363640      -0.40107712      -0.28354475 
Hf       9.89142864       2.59379878       2.71028937       4.28346331       0.43146114       0.42424695 
Hf       2.53594184       9.96945709       8.03841524       0.14318084       2.00281205       0.76411679 
Hf       7.96434909       0.24221759       7.74792492       0.83124082      -2.91066521      -1.21938647 
Hf       2.68345665       5.15311667       7.80922702      -0.31600398      -2.05637019      -0.98203201 
Hf       5.05283572       4.89056336       4.89710452      -2.27580279       3.44497067       2.27089621 
Hf      10.18752194       5.13283464       5.05590294       1.12713563      -1.40781862      -2.63412042 
Hf       1.94841333       7.61057970       5.10914147       1.78150714       2.93614537      -2.97993032 
Hf       5.27821790       4.97865401       0.12215877      -0.74617151       0.63319539      -1.79894691 
Hf       5.21425310       7.78337436       2.42593266       0.18214274      -0.10682812      -1.79051294 
Hf       4.96465087       7.89077222       7.42292534       1.19023273      -1.44414551      -2.12192398 
Hf       7.59109059       8.25116389      10.06512485       2.89403755      -1.49334077      -1.13631362 
Hf       7.50924323       5.00570684       2.21462845       2.57263898       1.67779682       3.67274622 
Hf       2.30286595       5.23487423       2.49952805      -2.00792612      -1.08843150       2.34625944 
Hf      10.18939036       7.66234866       2.32652092      -0.92331228       3.54490374       2.61230543 
Hf      10.29465856       5.05753860       0.24040704       2.64877577      -2.83703069      -2.75076595 
Hf       7.46669111       2.47309953       5.29768022       2.58202889       1.78548397      -0.81048135 
Hf       0.02625677       7.64810469       7.91931470       2.36411292       1.11935696       2.83537727 
Hf       5.25522952      10.37397708       0.05974683      -3.11903201       0.02325286      -0.32448066 
Hf       2.98593381       7.29628348      10.42966961      -5.18930426       3.45127166      -1.69325647 
O       1.37766444       8.59389635       2.25511527       2.75824705       3.14034637      -2.10104199 
O       1.27853749       6.44766986       1.05221460      -0.60936590      -1.03908253      -0.82443736 
O       3.95426548       0.83661915       6.22565276      -0.63683809       1.29077548      -0.55409693 
O       1.09484249       1.15930110       4.10589790       1.43348974       0.39066932      -1.45337188 
O       4.09980950       3.56203249       0.78513623       0.56572143       0.27767471       1.93784257 
O       1.85414060       0.78384721       9.46985826      -0.60898878       0.60594616       1.23203391 
O       3.27728068       3.83429122       3.66333474       2.43300762       0.66369291      -1.48959612 
O       6.72108060       3.81160426       0.92034216      -0.86075756      -1.10306948       2.77925712 
O       3.79990274       1.57440838       3.68389601       0.21739067      -2.82719620       0.95086583 
O       0.73791493       3.85690062       3.71392364      -1.37205415      -0.08458461       0.88035640 
O       0.60615322       1.26315197       1.67498584      -0.25342296      -2.67492872      -2.02025302 
O       1.10801054       6.27401655       3.94077486      -3.53335015      -0.74345514      -3.98003195 
O       3.46922545       1.18300380       1.17700666       0.59808438      -1.32088674      -0.58212887 
O       9.22183266       1.55252691       6.16573733      -0.97806325       3.62594287      -1.74116724 
O       0.97746155       9.24096163       6.76322097       2.33451623      -2.22392290       0.27948937 
O       6.52615610       0.58684590       3.62483545      -4.41301742       1.04425497       2.85847864 
O       6.51620546       9.58271321       9.05710975       0.08787369       1.82927357       0.06662217 
O       1.26235099       1.55087722       7.11145552       1.67535333      -2.70578548      -3.19598056 
O       3.65771575       3.31116249       8.56426392       0.77124058       0.33867478       0.43312349 
O       0.94016797       9.04552398       9.16959921       1.69764194      -0.30971572       0.71418086 
O       1.32942876       3.59123989       1.41021411       1.32206763       2.28662948      -0.98086075 
O       3.41102501       8.88770394       6.47805009       1.46074534      -1.81429051       0.67273370 
O       9.03972570       9.12977333       9.07075286      -0.56847389       0.79973709      -1.52783100 
O       1.51267518       6.46640289       8.74359462       1.62720099       0.51573076       0.72085901 
O       0.00557294       8.53706918       4.17058875       2.11422740       1.03754813       3.82820162 
O       3.20856684       6.19558693       4.43735272       3.12447636       0.87180664      -1.87776263 
O       3.96927474       8.81630876       1.35550090      -0.50151485       2.58188276      -1.94549526 
O       3.41997277       9.62277342       3.66328638       2.27006725      -1.53151945       3.22024004 
O       1.35244017       3.77306437       9.32700845      -0.44923776       1.28192009      -1.59763283 
O       9.15746920       3.71097102       1.33721781      -2.38437929       0.27687992       1.03683064 
O       6.49586126       1.06058118       6.33333238      -0.87931448      -0.14683170      -1.85027182 
O       6.57476459       4.51985798       9.20212355       0.42405897       0.43196828      -1.73561686 
O       3.92260428       3.54790563       6.03108202       0.34244299      -1.59930957       0.09136707 
O       1.15322631       3.88211034       6.14669146       0.31460544      -0.05266643       0.70700651 
O       9.30643180       3.51948770       9.52850698       0.25706897       1.02713563      -2.32474513 
O       9.14362179       4.43254779       6.66791931      -1.44276666       1.16140202       1.32053683 
O       6.41521103       4.09453778       6.51672752       0.44572938      -2.74374093      -0.93177159 
O       7.22975037       2.01756665       8.28070652      -1.78699124       0.95605878       1.45648292 
O       6.04154801       1.30970018       1.33934182      -0.53885032      -0.32754150      -0.98112623 
O       8.28892353       0.99311396       0.50283204       2.24027295      -2.45165302       0.89613092 
O       6.65867305       9.17727679       1.01106831      -2.40212107      -0.69409385       2.37271953 
O       9.10838942       9.84070985       6.29358970      -1.57034057      -2.19848542      -0.60789685 
O       1.32414835       6.35060548       6.28956179      -2.80643966      -0.69235350       3.89068701 
O       8.83989245       7.17899045       7.17116466      -3.30996382      -1.40637492      -3.18459909 
O       9.56053543       6.51340900       9.44939925      -1.92406639      -0.38883248      -0.21367644 
O       6.45517653       6.39188878       6.02193592       0.55673352       0.82211751       0.71759628 
O       6.48040771       9.07266179       6.40529169      -1.82871573      -0.89011501       0.44464312 
O       6.31669792       7.24020757       8.67141479       2.21600878      -2.04523155       0.89177472 
O       4.01899757       6.00955786       9.39237709      -0.55239379      -0.22996916      -1.75286564 
O       6.44884762       6.28252274       1.03962973       1.36519369       2.85135750      -1.58770332 
O       9.35688956       6.07399355       1.60065855      -3.93857303      -1.34261712       0.64025314 
O       8.54473567       1.33344182       3.34936674       1.88194134       0.77801586       1.27873605 
O       8.27542967       8.40417774       3.30739602      -0.55404162       2.85019538      -1.34275224 
O       9.25619958       9.16451201       1.04621820       0.88462448      -0.92299381       0.38057369 
O       6.30760949       3.66876848       3.78812847      -1.56980883      -1.73651511      -0.63667220 
O       5.66979853       6.10824618       3.10530113       0.63357301      -5.54656985       3.20622380 
O       6.05336990       8.37262330       4.01628933      -0.50186953       1.57016823       2.05932128 
O       9.63314459       1.11163719       8.48803880       0.74986740      -0.29572075       2.08651994 
O       8.56924050       6.29424039       4.15637691       1.51259935      -2.54468169       0.59050398 
O       8.56154889       3.81543699       4.17560834       2.26008667      -0.25669133      -0.68567306 
O       3.61503804       6.52919831       1.48734802       3.27068789      -3.76971764       3.62997628 
O       3.78016139       8.95033420       9.52418423      -0.16431659      -0.93901761      -3.36437208 
O       4.49778173       0.64687699       8.72110454       0.01567851       1.75945232       0.56619745 
O       4.11751088       5.94675417       6.54999099      -0.21118498       2.14462413       3.74232124 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.026455639690233086 0.015304982366897861 -0.006410088829577309 0.015304982366897861 -0.03306723805740357 -0.008834868226283384 -0.006410088829577309 -0.008834868226283384 -0.03289140176298845" pbc="T T T" energy=-921.94718406 free_energy=-921.95371214 config_type=crystal 
Hf      10.05765712      10.23668879      10.36626621       2.59312538       2.29066908      -1.13549988 
Hf       5.12983566       2.41591200       2.24277227       1.09115594       2.87261074       2.32801142 
Hf       0.13735265       2.63374921       7.77431973      -4.60926025       4.88907472       4.84976586 
Hf      10.18732946      10.41559289       4.78905932      -2.43924603      -1.51976289       1.67548297 
Hf       7.77731045       5.14834293       7.92597288      -3.26437796       0.26080715      -2.12950380 
Hf       7.52135315       8.35322043       5.10447407      -0.12727896      -3.38900150       2.89428131 
Hf       7.87721891       2.35931467       9.95048386       1.12683398       0.97183872       1.52173853 
Hf       7.53811194       0.30269444       2.11878820       3.04032402      -2.48174970       3.75964443 
Hf       2.71438165       2.60854210       4.80829630       0.92344748      -0.76570291       4.63034494 
Hf       5.37931156       2.35561842       7.44364810      -4.51767732      -0.34783939       3.24526215 
Hf       4.68141728       0.03326954       5.06445205       1.99638970      -2.16260299      -0.39281291 
Hf       2.71076830       2.59058168      10.18674691      -4.15382810       3.33275383      -1.12281442 
Hf       2.26635116      10.00860068       2.25902838       1.45714782      -1.47382301      -1.67779684 
Hf       0.49836695       2.23149149       2.75433826      -2.34375803       3.88141357      -2.91730394 
Hf       2.41707794       9.96327041       7.46509261       0.27254834       5.70647818      -0.18734764 
Hf       7.16173985      10.03891048       8.01177437       2.71211263       1.85369739      -0.90285866 
Hf       2.83730456       5.28342923       7.69018112      -1.33178146      -4.71123019       4.08172641 
Hf       5.39132414       5.08384613       5.37349643       0.86069186      -3.58337880      -2.70324324 
Hf       0.16535267       4.99994237       5.26713682      -0.36486346      -1.00082502      -1.78280077 
Hf       2.49943511       7.75896111       5.14190831      -4.37436055       2.72739132      -7.64474262 
Hf       5.43673436       5.24061149       0.05009061      -0.06309188      -1.68254254       0.61106229 
Hf       5.08641464       7.33828131       2.73678267      -3.81098941       4.61004194       1.70880060 
Hf       5.28130177       7.77949171       7.83235931      -0.58507096       4.66388076       3.34452741 
Hf       7.51288714       7.89130673       0.29174532      -3.13558346       2.40553012      -1.41806788 
Hf       8.05112634       5.47281460       2.63140656      -3.69735661      -3.64326795       0.46263272 
Hf       2.68163312       5.11245800       2.40000976      -0.09312176      -0.77246513      -1.07029871 
Hf      10.27870964       7.84565034       2.47556233       0.20284942      -1.45295291      -0.99501171 
Hf      10.33249754       4.98468349      10.41351681       1.45838992      -3.11735251      -0.75767504 
Hf       7.86651775       2.51994813       4.77327640      -1.11008162      -0.80572443       2.65065685 
Hf      10.21920113       7.50242366       8.03850525      -1.33875779       0.75029958       1.44575312 
Hf       4.40757607      10.42269086      10.29585338       5.95036059      -3.67034796      -0.22407536 
Hf       2.36820445       7.55083413      10.15610481      -0.10569733      -0.61330732       0.92483317 
O       0.96637146       8.71634514       0.85867792       0.33780600      -0.15394625       3.62059198 
O       1.43614161       6.01789168       0.87944182      -2.60553108       1.26338943       1.08052983 
O       3.79428731       0.99313960       6.52133401      -0.86639802      -0.39107118       0.31162212 
O       1.28952114       1.17804313       4.54178394      -1.95673909      -0.54714752      -1.55505398 
O       3.87129520       4.24858203       0.62862886      -1.78124690      -4.12845189       0.63874648 
O       0.91613150       1.52014783       9.80479864       2.01807644      -1.88057182       0.64854609 
O       4.26129617       3.92565110       3.36669385      -1.59239430      -1.70037530      -2.40495308 
O       6.57956030       3.84858868       1.31627997      -1.46434395       0.20310877       0.08682707 
O       3.75481843       1.40445299       3.80390868       1.33834835      -2.72248708      -2.57792998 
O       1.61110152       3.75538716       3.89507619      -3.47903019       2.42111160      -2.38185854 
O       0.85032914       0.80479374       1.50556800       1.67831571      -1.33590814       2.93020438 
O       1.18268050       6.38475993       3.84903495      -1.34514700      -0.27383707      -0.26954752 
O       3.67557820       1.17812581       1.28005614      -0.51230922       0.32579157       1.29486121 
O       9.15969222       3.08927309       6.32534374       1.04941776       0.29835394      -3.35249656 
O       1.39734519       8.99389578       6.23022241      -4.62133677      -0.54419876      -0.74959804 
O       6.35325092       1.19697628       3.61187317      -1.03732812       0.67298093      -1.78367200 
O       5.78770645       8.83252927       9.55790852       1.74561340       1.07911843       0.05324815 
O       1.28707016       1.47860466       7.35832680       6.91273519      -9.52917720      -3.95093684 
O       3.77009887       3.58716822       8.31792589      -1.94074496       1.30377552      -0.07774103 
O       0.96415838       8.84223542       9.06176218      -1.35025138      -1.20311188      -2.61350861 
O       1.32172909       3.51051629       1.18858929       0.26248510      -0.94371382       4.03988610 
O       3.71790059       8.90396161       6.03535035       0.87079565       0.80649655       3.14661414 
O       8.68117253       8.83971474       9.29489291       0.28009753       0.51844744       1.48716865 
O       1.37540112       5.99514653       8.87041514      -2.44287014       3.78846994      -0.88646610 
O       0.83338625       9.07494352       3.63796676      -1.95621454       0.79576680      -0.12738852 
O       3.74943096       6.19801718       3.73273088      -0.30980927       1.59631281       3.10006269 
O       3.57867438       8.80459048       0.74578656      -0.91851531       1.93775799       3.84366473 
O       3.21908547       9.06337283       3.75828641       1.50636497       1.61424776      -2.64421955 
O       1.09462835       3.74942447       9.35280931      -0.29013576       0.82300531      -1.66418105 
O       9.06081531       3.68868168       0.81195398       0.09594210       1.58151382      -0.64973718 
O       6.78351765       1.41098097       6.48251937       1.84703428      -2.66808633      -2.33051370 
O       5.97095245       3.60133004       9.13029863       3.10777572       1.05149162       1.93758725 
O       4.15512054       3.28198220       5.69375085       4.43815447       4.17034407       3.44398642 
O       1.46325399       3.86556810       6.59609543      -0.87238737       2.33568795      -1.91865394 
O       8.91750100       3.65814130       8.61310371      -1.58465051      -0.05283891       1.96913547 
O       8.08853180       6.16552235       6.15842459       0.57925285      -2.16967744       0.73644023 
O       6.51201762       3.66137076       6.77508378       2.11477287       5.79627596      -2.96942352 
O       5.99278348       0.95999660       8.93661333       1.58994705      -0.11801687      -0.79641872 
O       6.54699943       1.00445943       0.71671721      -3.31000025       2.23383648      -0.54561681 
O       9.06967484       1.26551942       0.80847177      -2.81151142      -0.63160202       0.57959079 
O       6.53569845       9.00567350       1.95720567       0.17457843       0.01322215      -1.66123640 
O       9.05667488       9.77020890       6.31276179       1.38659889      -0.20233070      -0.34821178 
O       0.25300814       6.45529658       6.51607903       0.15774842       0.31628006      -0.62381924 
O       7.41945799       8.17527494       7.31058669      -0.88103428      -1.50526997      -0.47609930 
O       8.95973609       6.15029235       9.18619902       3.53500663       1.34093087      -1.05681929 
O       5.55487045       6.19525578       7.03022870      -0.11176324      -4.95068050      -3.33807510 
O       5.65013390       9.54601881       6.83472207       0.71954834       1.05041553       0.51663702 
O       6.53869482       6.51299611       9.34588309       0.43135535      -0.55290218      -0.54265806 
O       3.73692835       6.46546219       9.17722970       2.42632007       0.17936300      -1.64894494 
O       6.24331636       6.67575515       1.50229522       2.88853963      -3.39251297      -4.66229315 
O       8.60018487       6.53593059       1.06611560       4.45495766      -1.03090930       1.49581026 
O       9.12875455       1.49231193       3.38527031       1.14707493      -0.37326060       1.65658290 
O       7.83741135       9.93264956       4.23165243       4.06265021       1.90925598      -2.23555591 
O       9.09772467       9.30103992       1.64917965      -0.24222481      -1.20480377       0.08124200 
O       6.52427553       3.61395510       4.03212699       0.96395301       1.87329983       0.59816463 
O       6.19484969       6.16150888       3.78852326       2.53328276      -1.00639509       2.37440732 
O       5.73681968       8.83560811       4.45762345      -0.55671594      -1.93842553      -0.84334942 
O       9.47144777       0.89386529       8.83806558      -4.53443713       1.03168077      -1.96599164 
O       8.79986520       6.89097047       3.71863709       1.07619659       2.95840382      -0.06560804 
O       9.39322517       4.26739294       3.50893945       0.43581569      -0.42477395       1.51748032 
O       3.75306597       6.38499207       1.33605072       1.59754843       2.38093625      -0.23243106 
O       3.27332634       9.27182625       8.97824431       1.92439860      -2.15711035      -0.20315945 
O       3.67739890       1.23841563       9.28306339      -1.74044464       1.36018075      -3.76798975 
O       2.93482944       6.48029761       6.23351989       3.26619511      -5.34547340       3.58393875 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.030545345890494725 0.011898298765888472 0.0042792136278811945 0.011898298765888472 -0.01640298761623273 -0.0024265934101938935 0.0042792136278811945 -0.0024265934101938935 -0.04464924234400613" pbc="T T T" energy=-930.43169003 free_energy=-930.43172595 config_type=crystal 
Hf      10.30298390      10.42329162       0.14785716      -0.27865990       0.03528073       0.67603234 
Hf       5.24984529       2.36362695       2.60356689       1.32643743       2.03732478       0.35370141 
Hf      10.12299331       2.54653981       8.04157342      -1.04150123       1.71894775      -1.62893976 
Hf      10.38924999       0.51704430       5.52963183       3.50709257      -5.28670736      -4.11193114 
Hf       7.37850448       4.80727271       7.29099470       3.02691542      -2.25376369       1.41090152 
Hf       8.07439071       7.62881883       5.06162042       0.24912130       1.15052761       0.77499443 
Hf       7.38311411       2.51211888       0.24094773       4.60889397       2.76014170      -5.20323092 
Hf       7.68165158      10.09309065       2.55975935       0.43118761      -2.35452359       0.70689814 
Hf       2.71179001       2.75956926       4.81060201      -1.30057308      -3.17966721       1.85305398 
Hf       4.87919549       2.19708396       7.71418514      -0.52707656      -0.28428512       0.53047018 
Hf       5.21746496      10.24016085       4.94388184       1.41817857       3.75983114       0.81754311 
Hf       2.27875999       2.57014025       0.12629103       2.31982925       0.54215616      -0.80179310 
Hf       2.48909649       0.02310047       2.47140767      -0.63649254       0.03793236      -0.14912822 
Hf      10.09725494       2.49736018       2.32382556       1.27893823       2.00805390       3.21319823 
Hf       2.15632251      10.23877502       7.87215819       1.15875047       0.10907476       1.36079224 
Hf       7.82644350      10.23115751       8.07144898       1.06770447       1.70973074      -3.73326802 
Hf       2.40619163       4.94612799       7.80028512      -2.83639557       1.12725334      -0.67223354 
Hf       4.94183863       5.19352876       5.01262531       3.02238831      -1.00997164      -1.93147257 
Hf       0.19135552       5.59975799       4.89602336      -2.14039584       0.18212160       1.74155807 
Hf       2.59154750       8.20644517       4.93263811      -1.69870322      -3.46145475       1.20789539 
Hf       5.21015443       5.00339203       9.97632155      -1.71255103      -0.94232826       1.07505253 
Hf       5.08590619       7.74858042       2.59281025      -0.23015869       0.12580455      -1.80826185 
Hf       5.10795858       7.45220820       7.60019702      -3.04467674       0.45217835       1.08486043 
Hf       8.01806079       7.58641994      10.33318831      -0.73498175       1.77446156       0.45658621 
Hf       7.86574869       5.34173413       2.42651228       3.37130321      -3.32858388      -5.00738286 
Hf       2.41552266       4.95071083       2.51238891      -1.77642448       2.19567802      -2.94157912 
Hf      10.43973140       7.70164872       2.34361547       2.96371534       2.66221395      -4.13562248 
Hf      10.07591132       5.21487667       9.91255948       3.78568498      -0.47378823       1.55626359 
Hf       7.73767370       2.39914473       5.15255024      -3.81119738      -1.25517773       1.28112715 
Hf      10.35178402       7.90979234       7.69467342       2.06489849      -0.26077775       3.18339068 
Hf       5.45900382      10.16880607      10.17386543      -3.65676243      -2.62889820       0.69575375 
Hf       2.62560326       7.67725588       0.08323476       0.28456271       0.54618114      -0.88549771 
O       1.34840503       9.30361471       1.00446162       0.14319709      -0.18751786       1.71138498 
O       0.97256190       6.60013560       0.61695015       1.18384560       0.34760605       2.66882548 
O       1.67862264       2.14945103       6.96503265      -1.48191775      -0.29921630      -1.94716298 
O       1.51437510       1.12334876       4.12041368      -0.33970665       1.50536306       0.44193442 
O       3.57503371       4.00238875       1.01251348       0.81775383      -0.50346476      -2.06622269 
O       0.52747576       1.40800658       9.21784567       2.34812007      -3.58360862       3.67451282 
O       3.95246833       4.22271419       3.28991171       2.71114645      -2.68987079       3.81646227 
O       6.35812366       3.74510894       1.40036668      -0.58352108       0.71159631      -0.40948784 
O       3.75114354       1.46985492       3.48786565       0.64486001      -0.18436134      -0.38069368 
O       1.20175525       4.02128422       4.10538882       1.77550344      -0.33476511      -0.84679896 
O       1.13238193       1.38093942       1.44709313       0.05467469      -2.03123751      -0.44865975 
O       1.28874873       6.83387389       3.57890798       0.34522670      -2.89123503      -0.19356186 
O       3.78182374       1.14560461       0.76033384       1.18409404       0.25916798       1.55713886 
O       0.69061524       5.01410345       6.56625640       0.70048758      -2.04611071       1.10989178 
O       0.49366637       9.88013686       7.14840696      -1.44674215      -2.83902240      -1.62957380 
O       6.55922437       1.07855824       3.74909384      -0.86158150      -1.46690230      -2.58812142 
O       6.93720229       8.94449333       9.27333935       0.18158834      -0.35470684      -0.26769758 
O       9.38019098       0.84201490       7.05938984      -2.73322497       2.29737195       2.00719181 
O       3.43431314       3.47758638       8.79225638       4.45676818      -1.63739185      -0.90561506 
O       1.68928529       8.71908906       9.15932935       1.12071320       0.66476114      -2.14220686 
O       1.28124028       3.67752125       1.52704684      -2.18847064       0.36865890       0.50545630 
O       2.88408104       9.58179542       6.19744206       1.33804624       1.10890402      -0.57613577 
O       9.79017621       9.16806759       9.30128598      -2.48914606       0.09599902      -2.47539657 
O       0.86288000       6.26107101       8.71219864       2.06058661      -0.66837262      -1.60725621 
O       1.48293777       9.24393393       3.70581589      -1.10099282      -0.02728626      -1.64395759 
O       4.08426364       6.85315305       4.42663512       1.41902054      -0.31475246      -1.08613838 
O       4.03868585       8.97205659       1.14725785       0.24713967      -0.02833186       0.52560636 
O       4.00857909       9.12855580       3.64012678       0.10164561       1.29800087       0.16629934 
O       1.32367193       3.83971449       9.40368687      -3.71702593       1.57072881      -1.41053221 
O       9.11746298       3.35965993       0.90275413      -0.39786899      -0.42459923       1.42150782 
O       6.81185845       0.69397563       6.16080314       2.16798972       1.20427997      -0.48679935 
O       6.54904997       3.73242600       9.06184350      -2.89595678      -2.97438710       1.79697143 
O       4.46203097       1.78927915       5.86613879      -1.69883780      -1.29082228      -0.51208637 
O       3.56968517       4.25487599       5.89292473      -1.73128918      -0.11855195       2.15029224 
O       8.75501900       3.85005018       9.28307270       2.10591745       0.61451273      -3.39359026 
O       8.67473938       5.70221298       5.51450493      -0.04798432       1.22875536       0.35305929 
O       8.67148889       3.17067082       6.66224799      -0.23146025       2.48255176       1.60250976 
O       6.02317167       0.63587503       8.52238102      -1.15083710       1.89761252       0.99006829 
O       6.73583637       0.85582243       0.94847174      -2.98285659      -1.09715135       1.38782192 
O       8.98717188       0.87364564       1.92144779       2.93669554       2.03266713      -1.39846094 
O       6.84093669       8.70150396       1.31879123      -2.87740940       0.31401279       1.09255359 
O       8.54626164       8.51425433       6.88399024      -1.83463751      -0.24953132      -0.49051881 
O       0.26341698       7.56130221       5.86687404       0.45005793      -0.97325771      -3.32135842 
O       6.37293145       6.07260960       6.18440285      -1.70353914       3.82617536      -2.09745040 
O       9.18575986       6.63959129       8.98883224      -4.25873857       1.00925527      -2.06254220 
O       6.13180109       3.54859944       6.52269859      -0.65338187      -0.01570741      -0.22445039 
O       5.38976070       9.37191462       6.54003187       0.24083475      -5.24972416       2.46722645 
O       6.08411823       5.83662746       8.44324263       0.15052802       2.89256217      -1.16161044 
O       3.63790051       6.08667303       8.81175125       1.87683385       0.53600291       2.92640198 
O       6.35897488       6.44261793       0.25725585       0.14093145      -1.02510741       2.28249867 
O       9.18056726       6.34153191       0.99808436      -1.58480179      -1.91783436       2.04741445 
O       9.56546868       1.97313523       4.75434671      -0.39771238       2.13075314      -4.10060514 
O       9.20874520       9.58584239       4.13085298      -0.78199582       0.74212777       0.66644062 
O       9.14214092       8.85750518       0.99237222       0.99580852       1.34817358       2.98298978 
O       6.54581696       3.45563802       3.92020993      -2.14714623       0.95481764      -0.46537373 
O       6.64387699       6.06068096       3.43647493      -6.48285916       4.04098906       3.69131902 
O       6.63116934       8.84246128       3.79196591      -1.88273145      -1.06232679       2.67394789 
O       8.36304757       1.20183343       9.32451551       0.91361860       0.32043739       1.58029544 
O       8.83710384       7.37006014       3.24116905      -1.20765895      -3.13096060       1.09751070 
O       8.99506297       4.12117803       3.33564084       1.93060574      -0.23333620       0.81736493 
O       3.42240198       6.54876791       1.80304284       1.85268158       1.37798852      -0.46124871 
O       4.58671754       8.33170067       9.25230260      -0.45279087       1.07198621      -0.38059361 
O       3.48958137       0.72735045       8.79155253       3.27445723       2.35172145       0.88113376 
O       2.76013789       6.78083506       6.66214542       2.04378903       0.93922804      -0.83375529 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014627140064182368 0.014672733495675286 0.00042464285220956835 0.014672733495675286 -0.032168167573351225 0.009276045610114548 0.00042464285220956835 0.009276045610114548 -0.026246451230203846" pbc="T T T" energy=-924.26116147 free_energy=-924.26196291 config_type=crystal 
Hf      10.40132264      10.38658236       0.36938286       0.67321045      -1.38491294      -3.39027415 
Hf       5.19662006       2.41846345       2.49560196      -0.12825562       0.09854030      -0.52185932 
Hf      10.15749765       2.51842990       8.12322663       1.73916640       4.68144994      -1.40840203 
Hf      10.41367632       0.56148944       5.48132906      -2.75340576      -1.34973405      -2.66435264 
Hf       7.45638473       4.77522510       7.28172730       1.93578538       1.30527272      -0.67458240 
Hf       8.05845383       7.68935324       4.87290489      -4.85386535      -0.50352908       2.73233725 
Hf       7.54391545       2.44014534       0.02442392      -1.78056697       0.00279086       1.29204112 
Hf       7.65758152       9.98364413       2.42619620      -0.19539052       3.51684059       2.36170846 
Hf       2.68623553       2.89983372       4.88935776      -1.65863833      -3.58145297       6.17417832 
Hf       4.84023967       2.27584002       7.81492556      -2.54506336      -0.30049645       0.82951651 
Hf       5.20943058      10.29680487       4.85938402      -2.56523433      -0.45446115       1.92924712 
Hf       2.14381980       2.70098366       0.07010481       1.88420938      -3.13998964      -1.08909098 
Hf       2.43771341      10.28711453       2.52057620       3.06381552      -2.55841787       1.08157292 
Hf      10.14413305       2.64464976       2.51793338      -1.56414545       0.13236433       0.23259820 
Hf       2.27693406      10.23553155       7.77498434       2.82163662       5.16834415      -1.68587494 
Hf       7.78872374      10.30558109       7.95960968      -0.55394185       0.39887675      -1.38456654 
Hf       2.41741704       5.26418032       7.87006631       0.42522164      -1.92232905      -1.80710983 
Hf       5.18193535       5.12359759       4.89882475       0.39814940       2.17798978       0.44398844 
Hf      10.25141903       5.48741380       5.01798662       2.22559543      -5.12866362       1.92637268 
Hf       2.49007613       7.94669616       4.97902515       1.22676561       0.43138320      -0.78067753 
Hf       5.25507473       4.94950397      10.04667975       2.14862582       0.69694463       1.68119625 
Hf       5.11331120       7.72493309       2.56692619      -3.90757624       1.37914357      -3.27897671 
Hf       4.99320057       7.43726927       7.80903172       4.74307400       0.52735224       1.29766798 
Hf       8.05133755       7.68475136      10.39408202      -3.26984419      -1.34262162      -1.11498829 
Hf       7.89997829       5.25332604       2.40573739      -4.82698426       2.03391681      -2.93093837 
Hf       2.42210998       5.03038980       2.44983139       1.34721461       1.26207076      -1.36762723 
Hf      10.44864598       7.62787311       2.21841408       3.68683251      -0.61254666       2.52681774 
Hf      10.24344200       5.23556919      10.16276173      -2.46197951       1.13985994      -1.35640855 
Hf       7.76160770       2.42644519       5.19153035       1.92358258       5.02413198      -4.98051091 
Hf       0.03166988       8.02547850       7.77886719      -4.03799795      -2.31610858      -0.75055959 
Hf       5.43601000      10.02705520      10.17938509      -1.12885622       1.28966434       4.16697923 
Hf       2.51438136       7.72422390      10.39405743       2.38812553      -0.03268786       1.51678054 
O       1.16471715       8.98936256       1.10819852       0.54449877      -0.29311035      -1.33295751 
O       1.00549233       6.53793706       0.96574108       0.18929037      -1.58500053      -1.14556829 
O       1.43528495       2.76746549       6.98273622      -0.24022809      -2.71557433       1.11271808 
O       1.51222063       1.28495662       4.85556627       0.22392252      -0.27325928      -2.18048596 
O       3.53221000       3.69457812       0.85143500      -0.00019238       1.24750584       2.53227199 
O       1.10843725       0.71159223       9.51012100      -0.96469543       1.43261476      -2.04609783 
O       3.60593873       3.86984480       3.60998852       3.91545102       3.47841695      -2.88637995 
O       6.25151171       3.86343121       0.95241363       0.53260086      -0.87236965       3.48192693 
O       3.73313990       1.53639556       3.58416212      -0.58049144      -1.36286821       1.05280582 
O       1.16956854       3.95954578       3.92531032      -1.71113779      -1.91540666      -0.04437792 
O       1.33019792       1.00770028       1.50682195      -1.54233567       4.39126032      -0.45006857 
O       1.26884181       6.20281018       3.39067421      -1.63763197       2.59805934       0.76565576 
O       4.50292441       1.21131466       1.28016750      -2.90454381      -1.99264094      -2.66937514 
O       0.80029170       4.82672215       6.60210345       2.11811346       3.12120947       1.44461084 
O       0.48292052       9.44805016       6.48726506       0.36118250       1.35760127       1.16363584 
O       6.43650368       0.91054789       3.43662355      -0.90525372       1.16534906       1.97500125 
O       6.91078382       8.74475783       9.10915994      -1.57761486       1.28316301       0.32343965 
O       9.40196675       1.16739335       7.11309777      -0.41039478      -3.71566945      -2.45044500 
O       3.96070073       3.87577714       9.08299172      -3.26076944      -2.51400865      -4.58685077 
O       1.88532276       8.51166635       8.34155219      -0.30389312      -1.46665191       2.17177860 
O       0.98220671       3.75335107       1.41815712       0.53409264       0.60949360      -0.46517010 
O       2.97441764       9.61564071       5.94102550      -0.58060277      -1.48218784       1.50922860 
O       9.32302282       9.55664693       8.94421305       2.67268072      -2.52990812       1.47946583 
O       1.01299932       6.44302077       9.02528214       1.11073413      -0.52789373      -1.49444907 
O       0.91501622       9.13569186       3.54023025       1.26144840      -0.37115408       0.13587753 
O       3.75351340       6.54845957       3.69118017      -0.35904401      -0.62033862       1.81628490 
O       3.66885608       9.02045439       1.39701435      -1.00032824       0.83671771      -0.19657536 
O       3.70871022       9.26862192       3.74612803       2.41719206      -0.72203121       0.98391378 
O       0.82141501       3.73698654       9.38051721       2.46464911      -0.26327502       0.56292812 
O       8.91850806       3.74220195       0.67419660       1.13655796       0.05187230       1.77088421 
O       7.34731050       0.95002189       6.10260751      -2.88533043      -5.62802280       2.89991182 
O       6.28137963       3.09396718       9.10632883       0.33640645       0.77796351      -1.47093826 
O       3.80631664       1.29520094       6.21651033       3.08151176       2.06008057       1.06689186 
O       3.81550753       4.28316477       6.32177152      -0.15566167      -0.01058926      -0.62141848 
O       9.04988011       4.35709790       8.28712952       1.68654268      -2.44223059       2.73871368 
O       8.01431138       5.55571821       5.55824088       3.17237668       1.85869074      -1.87169077 
O       9.26706046       3.56668713       5.99576331      -0.88703845      -2.61883856      -0.54948560 
O       5.93522429       0.63032983       8.65974790       1.77508719       0.79360359      -1.93796467 
O       6.67103144       0.92905234       1.06460292       2.30867320      -0.25210043      -1.35295135 
O       9.14968109       0.90453600       1.28111102      -1.49116770       2.99505030       3.16180721 
O       6.49533523       8.78868102       1.42911052      -0.09267147       1.07461908      -1.90770750 
O       8.53044763       8.02692639       6.75314893       1.39900305       1.39450850      -0.28596533 
O       0.86071548       7.12852872       5.62844051      -2.21227911       0.28543022       1.99381485 
O       6.13556264       6.78842149       6.15673681      -0.95267803      -4.52289454      -0.03562920 
O       8.85273961       6.60936312       8.93501838       2.90358721       2.01871481       1.54595193 
O       6.44408298       3.38307858       6.33747165      -2.59453575      -0.23790433       1.49457405 
O       5.48029291       8.77190046       6.57462570       0.06913088       6.13491675      -0.94517389 
O       6.63837679       5.77087010       8.67439619      -4.36914211       1.32985603       1.90912986 
O       3.83492631       6.23713429       9.44163480      -1.43222389       1.41249053      -5.45214713 
O       6.44259134       6.43767244       0.88600622       0.59275624       0.26256287      -0.14184928 
O       8.96905311       6.24730189       0.98300874       1.35787559      -0.34480644       2.26274891 
O       9.22448689       1.38198845       3.74039967       0.88832045       0.56010692       2.22284654 
O       8.58263378       9.48602352       4.33642307       1.95600253      -0.07871718      -1.22582929 
O       9.10702431       8.80680492       1.39490918      -1.25027700       0.75117344      -1.30560854 
O       6.29272677       3.73183277       3.93502274      -0.31671251       0.26815317      -0.71311701 
O       6.15099736       6.62969706       3.62038773       5.01035917      -5.13942195       1.16974642 
O       6.32774845       8.91490852       3.95984438       0.19683855      -0.07680871      -0.55960768 
O       8.73323183       1.44932180       9.37491601       0.53893916      -0.69159392      -2.12104598 
O       9.33246542       6.46737405       3.50619573      -3.37773492       2.55850310      -0.47161482 
O       8.71083583       3.97249676       3.40079053       3.53371454      -3.51861344       0.52295893 
O       3.65388460       6.55914054       1.01081555      -0.05973343      -1.18402590       4.54531712 
O       4.05896411       8.93126301       9.55116295      -0.69062433      -1.95907041      -3.01491980 
O       3.38800565       1.03914232       9.00640875       1.54238100       1.49384203      -0.99430995 
O       3.60387699       6.98687393       6.72172385      -5.49149968      -2.31910268      -1.89588459 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.022817904789888693 0.007075624555262516 0.01008494710897232 0.007075624555262516 -0.014490994443800587 0.005161503820890108 0.01008494710897232 0.005161503820890108 -0.026564105877883" pbc="T T T" energy=-926.83482061 free_energy=-926.83487939 config_type=crystal 
Hf      10.44833127      10.38480928       0.40439785      -1.89884754       1.32161265      -3.62540393 
Hf       5.17032153       2.44488328       2.44206819       0.09106217       0.11925149       1.53209898 
Hf      10.18961371       2.55246577       8.12901130      -2.26053860       1.09812714      -0.92543744 
Hf      10.40669944       0.55195452       5.41555067      -2.15664067      -4.15623350      -6.03344375 
Hf       7.51574347       4.77448116       7.28249301      -1.33595983      -0.49067095       4.91910521 
Hf       7.99238531       7.71011514       4.82514312      -3.22951324       0.70629976       3.74862260 
Hf       7.59080046       2.43536061      10.42178134       3.67408551      -0.30658333       0.36383337 
Hf       7.65450917       9.98166424       2.41447447      -0.47179583       5.61493679       3.43197793 
Hf       2.66758068       2.90956770       4.98758890       0.47661851      -2.71605942       3.11842286 
Hf       4.80127516       2.28161653       7.84014711      -0.13029108       1.31835358       0.69967459 
Hf       5.17943142      10.32148950       4.87841754      -1.41982253       0.18385911       2.75096762 
Hf       2.14306926       2.70912092       0.04286359       2.10431781      -4.78409948      -0.14460591 
Hf       2.45714904      10.20366113       2.55052827       0.87302792       1.15133817       1.58882912 
Hf      10.16555809       2.70696122       2.57831362      -1.16474212      -1.53686927       0.11753317 
Hf       2.35626649      10.29196425       7.74072616       1.16380438       1.94483442      -0.91484176 
Hf       7.75919032      10.33993838       7.89721888       2.66721677      -0.52311091      -2.01091673 
Hf       2.42755419       5.34108743       7.85796812       1.45429998      -0.06123312      -0.74142177 
Hf       5.25993000       5.11787363       4.86123612       0.04534070       1.16182141       1.94203645 
Hf      10.15720271       5.39594465       5.08257093       2.92344352      -2.91079646       0.47050721 
Hf       2.45276862       7.84801759       4.99573904       2.35841351       0.97369621      -0.24529259 
Hf       5.28168190       4.92551848      10.09196972      -1.63908901      -1.08992751       2.70021283 
Hf       5.08122686       7.71433878       2.52700015      -2.26886839      -1.15327347      -0.14813174 
Hf       4.96923098       7.44999533       7.86275483       2.80321275       1.96843474      -3.40053931 
Hf       8.01811553       7.70769400      10.40016602      -1.71499784      -0.72102132      -1.32859738 
Hf       7.84483900       5.21889182       2.38037193      -1.78287099      -0.17899593      -1.67434725 
Hf       2.44462540       5.08098027       2.41068058       0.27187648       1.47218479      -2.25403326 
Hf       0.03001591       7.60094347       2.19611919       2.16381213      -1.55140605       1.79310999 
Hf      10.27562526       5.26162783      10.22771581      -1.43919363      -0.72621674      -1.56029319 
Hf       7.77414150       2.46114347       5.17209378      -1.82497977      -0.80507837      -3.45498296 
Hf       0.05035446       8.02240604       7.80238213      -3.65243928      -0.69413851      -0.62308275 
Hf       5.38082319       9.98081417      10.22573686      -0.31715482       3.21161997       1.06519153 
Hf       2.51494068       7.73597325      10.35799917       0.36022241      -1.14870324       0.61523299 
O       1.03976715       8.77441214       0.90884012      -0.05161903       2.31654225      -0.91443962 
O       1.07417667       6.45000015       0.91099762       0.93925445      -1.43967297       1.93791570 
O       1.15590984       2.57171793       7.02911478       3.94707709      -1.28730783      -1.90505815 
O       1.43012397       1.40231025       4.88299661       2.61666624      -0.10765910      -2.13845035 
O       3.47124114       3.67750482       0.92008992       2.00333559       1.59216349       1.80971026 
O       1.19777119       0.57873083       9.42294572      -0.88606132       0.92785766      -0.14316204 
O       3.45084011       3.82026096       3.45183649       4.48361083       0.70475418       0.21911593 
O       6.38963122       3.71542522       1.06851634      -1.74800115       1.78293136       1.98978511 
O       3.62600452       1.42720599       3.69032121       0.64599223      -0.54667860       0.21185492 
O       1.14472555       3.69308177       4.02714393      -3.10846050       0.82667134      -1.79453297 
O       1.23432763       1.10803702       1.49251497       1.05849756       1.64494823       0.97149357 
O       1.20641365       6.08819827       3.46746472      -1.88433475       1.53559092       0.55502106 
O       4.56674687       1.13744945       1.35462792      -2.87880932      -3.31019322      -3.38861150 
O       0.97914378       5.00389912       6.64831005      -0.42907047       0.37006993      -0.76930348 
O       0.50348534       9.45016485       6.36872477       1.12479323      -0.11512094       2.31092597 
O       6.40015352       1.03668496       3.45418720      -0.91725776       0.57677958       0.70934224 
O       6.80553969       8.78975035       9.09394407      -1.47671664       0.20243849       0.80619281 
O       9.55533007       1.06909114       6.88309957      -4.26910768       0.97508584       4.62870533 
O       3.63632472       4.04651006       8.97607383       0.86109163      -1.57792163      -1.25238125 
O       1.88857252       8.49319958       8.30907065       0.29448291       0.22855019       0.83452851 
O       0.86107531       3.88360429       1.17063453       0.62607089      -0.19767293       2.94682906 
O       3.05219009       9.47721642       5.98288025      -0.71666035      -0.03884983       1.35808575 
O       9.54675364       9.44790227       9.11040385      -0.48503602      -1.94344329       0.48684858 
O       0.97225901       6.55332374       9.17364157       1.84702833      -1.25887327      -3.23746218 
O       0.87561433       9.07003990       3.39258911       1.89996956       0.14051292       0.21190103 
O       3.67822783       6.46784879       3.54834647       1.20469384       0.17016182       2.49362340 
O       3.49301042       8.99719525       1.45604152       0.56692286      -0.39867904      -1.04908485 
O       3.73365316       9.21436472       3.81121733       1.71356481      -1.01230599      -0.84309637 
O       0.94087716       3.52953902       9.36412976      -0.92622853       3.07057771      -1.18628276 
O       8.89569865       3.80700898       0.69615490       0.70889790       0.55289238       1.71746833 
O       7.24871973       0.77999649       5.98763986      -1.34466758      -1.63367365       1.89256817 
O       6.35170297       2.95355703       9.11831368      -2.67373258       4.29837622      -2.05597463 
O       3.98008507       1.33431041       6.38947810       0.52396476      -0.08003727      -1.65516780 
O       3.99660932       4.31314112       6.26844853      -2.23022408      -0.55263415      -0.64182352 
O       9.26675621       4.53777361       8.21257428      -0.04955249      -2.58671869       0.83081175 
O       7.90680487       5.56190195       5.73422302       4.79146519       2.61388513      -5.43816388 
O       9.27441653       3.47678613       5.70365512       1.16872412       0.21591014       3.47734923 
O       6.23818865       0.78429035       8.62053964      -2.22073823      -1.59298197       0.68540730 
O       6.81433098       1.09749881       0.92017480      -2.19831559      -4.33899614       0.90052130 
O       9.03023391       1.05210586       1.28809345       2.19331848      -0.01061054       1.06159921 
O       6.27025542       8.89100854       1.34791866      -0.16931417       1.08634619      -1.51999683 
O       8.60446753       8.08476125       6.83854224       0.09369798       0.63253712      -1.80978343 
O       0.86300182       7.16215515       5.65915095      -3.57792787      -1.08191988       1.70268600 
O       6.06102750       6.68086339       6.29229032      -1.02199394      -2.86173119       0.65433390 
O       9.01149721       6.67705547       9.13915084       0.81414410       1.56151623      -0.71822079 
O       6.22489888       3.41252293       6.40763737       1.97988680       0.13989515       0.93628370 
O       5.52976036       8.92543605       6.46813651      -0.36458796       2.10767736       1.47098346 
O       6.62280832       5.69420016       8.99846941      -1.17831186       1.12347016      -1.79233933 
O       3.64417029       6.43153171       9.24600446       1.96155720       0.05618726      -1.78591500 
O       6.58399368       6.36870405       1.10743856      -0.60512577       0.33855100      -0.74540423 
O       9.00535795       6.32585229       0.93809011       1.36202305      -1.72154900       4.23657386 
O       9.15147855       1.05595543       3.73655188       1.50197373       3.56867920       0.77481529 
O       8.50628003       9.40715704       4.18587411       3.33872721      -0.87935420      -0.26833717 
O       8.87773122       8.66990734       1.60820175       0.75872217       0.65252458      -2.02481510 
O       6.44189796       3.73528149       4.02719051      -1.46274821       0.39389158      -1.72021970 
O       6.36398976       6.43626013       3.57395663       1.51880691      -0.48143886       0.08641147 
O       6.42911443       9.01313831       4.05555475      -2.30265149      -2.24921808      -2.44046910 
O       8.88839607       1.32565988       9.24206676      -1.04005610       0.48142848      -0.64436430 
O       9.33169061       6.64552834       3.54796330      -3.47680547      -0.79788615       1.47388712 
O       8.79227669       3.79205466       3.60547560       1.27855335       1.32784322      -3.75068325 
O       3.80522229       6.56671503       1.11859731       0.52636501      -0.95971261       0.72356452 
O       3.75917216       9.08373754       9.52063064       3.19498453       1.09493008      -1.73718315 
O       3.45034663       1.25099537       8.86878168       0.72620105       0.33404723       1.07423048 
O       3.60170305       6.91009399       6.65035546      -3.36798348      -1.20884728      -0.64014829 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02173670922286373 0.008452630212041103 0.0007442287414009431 0.008452630212041103 -0.014594901052996318 0.002084559065861511 0.0007442287414009431 0.002084559065861511 -0.01598424323980749" pbc="T T T" energy=-925.56048651 free_energy=-925.57545915 config_type=crystal 
Hf       0.03595904      10.40158262       0.41304775      -1.56421945       3.23792959      -3.99758681 
Hf       5.12253234       2.47813021       2.37119705      -2.67693799      -2.98891361       1.51212439 
Hf      10.21767485       2.61730095       8.12334563       0.58432387      -3.05220195      -4.70900714 
Hf      10.37684534       0.49425143       5.25632607       1.29108694      -1.85597244       3.05424397 
Hf       7.59730238       4.77729364       7.32330438      -1.56267413       2.55866288       0.40403284 
Hf       7.84904024       7.75288129       4.79648551      -0.36487225       2.13477113       3.20443685 
Hf       7.70006885       2.42057239      10.31866436       0.34387989      -2.97786925       1.80516708 
Hf       7.64336926      10.04517513       2.43833845      -0.18869819       2.70841316       2.76182668 
Hf       2.64139247       2.89584934       5.17561932      -0.29856136      -1.49650812      -1.43002449 
Hf       4.75181158       2.31996699       7.88772049       2.60280330       2.16406538      -1.17769715 
Hf       5.11579190      10.36638458       4.94042088      -0.44769400       0.53084046       0.97633746 
Hf       2.17019818       2.67048871       0.00220722       1.74349889      -1.83291303       0.74476752 
Hf       2.50411570      10.09231144       2.62076976       3.67853029       5.08210191       1.26680642 
Hf      10.19386665       2.78248731       2.66427367       1.84956841      -4.43093421      -5.62513560 
Hf       2.49457272      10.40233619       7.67673477      -1.36016279      -0.97802956       0.26355171 
Hf       7.74476340      10.38269480       7.76827184       0.84451038      -2.38201170      -2.41525736 
Hf       2.45598604       5.46750572       7.82611591      -1.85397905      -0.38252752      -2.16588973 
Hf       5.37976987       5.12032575       4.82427369      -2.60012757      -0.60366993       1.35251668 
Hf      10.04518821       5.22333838       5.18749835       5.40381864       1.60285458      -3.00739196 
Hf       2.41032274       7.69786749       5.02660533      -1.76898007       0.39238193       1.59160595 
Hf       5.29777892       4.86717998      10.20455285      -1.15621394      -1.01222290       2.41823346 
Hf       5.00446691       7.68993474       2.46213294       0.14889359       0.78037841       1.44106727 
Hf       4.96674641       7.49830856       7.90436185       5.59819627       5.10409852      -6.58794209 
Hf       7.94702292       7.73353107      10.39748406      -0.89647521      -0.84188724      -0.26817209 
Hf       7.74488365       5.15694594       2.32160579       2.82950633      -1.89203455      -0.15972039 
Hf       2.48210140       5.17853028       2.32685008       1.05139512      -0.63282003       1.79537524 
Hf       0.12389061       7.53478369       2.18637149      -2.21872503      -2.04780127       3.01434339 
Hf      10.30991671       5.29654066      10.31151951      -0.46855484      -0.42693398      -1.23992402 
Hf       7.77194119       2.50486455       5.09791521      -1.50437675      -2.96556891      -1.97782751 
Hf       0.04052471       8.00786671       7.82952737      -0.71159338       0.13510631      -1.97412988 
Hf       5.28098161       9.95850233      10.30438323      -2.09118552       7.27865052      -3.51089173 
Hf       2.51955240       7.74562654      10.30145500      -0.79577048       1.08710267      -2.15992593 
O       0.84369524       8.66060456       0.53875591       1.45188091      -0.98254778       2.81802185 
O       1.34906398       6.21553048       1.04489548       0.68818330       3.00377256      -0.86477702 
O       1.22800458       2.07825627       6.87279277       1.15862439       0.16467290       0.82255277 
O       1.49355468       1.41190325       4.68061107      -1.39258516      -3.69278438      -1.20256406 
O       3.57383941       3.79280854       1.12350031      -0.04812672      -1.01394717      -3.68723407 
O       1.21550763       0.52076609       9.30781407      -1.13627181       1.55104577       1.91548001 
O       3.75579116       3.81597579       3.31203098       0.68724751      -0.42007152       3.23867307 
O       6.41579892       3.67594494       1.43688377      -0.58846836       0.84127112      -2.74132250 
O       3.56901146       1.18939299       3.86244425       1.65412082      -0.15566672      -1.34331132 
O       0.83686532       3.43514185       4.00993059       3.57432632       3.43576119       2.00385247 
O       1.22075444       1.43513769       1.54919164       1.65514150      -1.79926130      -0.67703366 
O       0.93090192       6.09103263       3.60569874       1.79680061       0.27617752      -1.63910093 
O       4.32464420       0.73482395       1.13208270      -1.21547364       2.69916224       1.52981098 
O       1.10650645       5.21435650       6.54542678      -0.96284623      -4.37905034      -0.73823877 
O       0.67224151       9.50988918       6.44636744      -0.04393554       1.59282945       0.64915125 
O       6.24910459       1.29829244       3.56761140       0.87321479      -1.12463600      -0.04152211 
O       6.50464900       8.81632990       9.14420946       1.62742787      -2.54241251      -0.54991581 
O       9.29479464       0.97762200       6.92391953      -0.37845291       0.71702030      -2.49760691 
O       3.32007530       4.01989274       8.74063687       4.05841712      -1.40602077       2.28741531 
O       1.90888239       8.51316239       8.36265173      -0.88191862       0.88049228       0.41697987 
O       0.82088280       4.00320690       1.15511357       2.02347323      -1.74334932       1.72156225 
O       3.09568050       9.25061555       6.17786817       0.34377928       0.16466739      -1.40276905 
O       9.79663919       9.09510729       9.45939772      -3.42658791       2.79838548      -0.72630005 
O       1.13649703       6.51462245       9.05806374       0.30605466      -2.38755089       0.39139468 
O       1.04998373       8.99889203       3.20917953      -0.00681736       0.06969748       1.40242403 
O       3.70837320       6.38476914       3.67082979       0.49935509       0.44371254       1.43006997 
O       3.30617106       8.84591680       1.38261579       0.95260683      -1.48992284      -0.53342771 
O       3.94415670       8.97972696       3.79184628      -1.68779741      -0.13993537      -0.85218526 
O       1.02265293       3.56575124       9.21414074      -0.21712696       1.08066942       1.32700884 
O       8.89778530       3.92412157       0.87901187      -1.03198073      -1.41663311      -2.38885380 
O       6.95793897       0.37035570       6.00148581       1.88692651       4.03006812      -1.84679499 
O       6.23308952       3.29096859       9.02157428       0.54458186       2.14024824       2.97147928 
O       4.27086667       1.31168552       6.33098177      -1.32488433       0.14358109      -0.37332617 
O       3.98640655       4.26731025       6.08335776      -1.61500633      -1.47889632      -0.21772703 
O       9.52445174       4.52345605       8.20431655      -3.33975839      -0.12826105       0.53373538 
O       8.26609759       5.76871438       5.57959915      -2.69295171      -1.51534013       4.48316680 
O       9.41142066       3.34607125       5.75337428      -1.29553897      -0.22326768       3.55581273 
O       6.38328284       0.91250685       8.66800950      -2.59015072       0.90061303       0.77041962 
O       6.79861264       0.88662665       0.76008475       0.24028073       0.65744733      -0.12785595 
O       9.09621953       1.28255306       1.42430350       0.31924701      -1.43471455      -1.15120845 
O       5.98077916       9.04573414       1.20957518       2.92316428      -4.11573363       5.11265690 
O       8.69370308       8.27076248       6.77073539      -1.77981816       0.88341893       0.07194985 
O       0.48786873       7.14964019       5.86404356       0.18298060       1.23512782      -0.63802104 
O       5.85065426       6.15684210       6.60500029       1.08416265       0.32584843       0.26350625 
O       9.31988160       6.93385164       9.37688575      -1.37277956      -2.69850542      -0.62827829 
O       6.21673294       3.51164664       6.59152118       3.92917917      -0.12471097      -1.43012625 
O       5.55590984       9.33183703       6.53439101      -0.94645452      -4.50827823       2.91037648 
O       6.56279669       5.81619252       9.19882712       0.74305600       1.62088375      -2.13082245 
O       3.62562083       6.76305519       8.82955007      -0.24694922      -2.24821349       5.17269283 
O       6.67725506       6.37273291       1.26287158      -1.62281897       1.68775654      -2.98439266 
O       9.22142877       6.27802468       1.31939293       0.44520621      -0.77444097      -1.29375734 
O       9.18119293       1.01249768       3.83420330      -1.75042723       3.40325212      -0.38799709 
O       8.79492830       9.20695977       3.90578656       0.42216769       1.01356284       0.59065171 
O       8.62525529       8.53481664       1.64107797       1.07847754       1.45904001      -2.07444866 
O       6.50905705       3.75826150       3.97616213      -0.39611452      -0.91990400       0.17087166 
O       6.77987092       6.12641068       3.62152468      -4.82318592       3.36509942       3.02162421 
O       6.32643253       8.89947862       3.87228666       0.52267170      -0.51035109      -1.60016065 
O       8.99400798       1.23243880       9.03865072      -1.29509664       2.50338065       3.93691432 
O       9.02595156       6.80923091       3.69399296       3.30649163      -2.10767864      -2.54095764 
O       8.94526793       3.72358143       3.53659167      -4.90653118       3.77706082       1.45286684 
O       4.07686267       6.42881416       1.30170673      -1.31205627      -2.04714474      -3.40006655 
O       3.67595499       9.40741315       9.28184062       1.73727958      -1.00117037       0.12875883 
O       3.46072941       1.52658800       8.91358528      -1.84249544      -1.11677561       2.07115818 
O       3.23204838       6.67597703       6.43570898       1.89986362       0.91983315       0.19346260 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009938614721546186 -0.005762316651075677 0.008528088765380642 -0.005762316651075677 -0.025807332489569183 -0.0030812882898858993 0.008528088765380642 -0.0030812882898858993 -0.023924863677551422" pbc="T T T" energy=-929.05673663 free_energy=-929.05698217 config_type=crystal 
Hf      10.20036752      10.42262513      10.14018750      -2.88000661       2.62702674       1.30725802 
Hf       5.17453627       2.57933648       2.74934808      -2.27372706      -0.41328943      -5.01385783 
Hf      10.03448715       2.47231184       7.24733223       0.62214451      -5.23851272      -1.45148627 
Hf      10.16483530      10.05058563       4.76659049       4.57590615       3.42552007       1.68895626 
Hf       8.04611230       5.26438870       7.85145479      -1.92431575      -0.43367582       1.99205424 
Hf       7.92263521       7.37273049       5.04022866       0.16355312       0.05178380       0.07521688 
Hf       7.39184177       2.70608625       0.15168800       5.23393594      -1.44214137      -2.49326789 
Hf       7.49009950       0.07627630       2.59831966       1.19989618       0.36080061      -2.36711248 
Hf       2.69024230       2.22965300       5.14377402      -0.78966731      -0.52480346       1.21216081 
Hf       5.40014442       2.58113782       7.91197476       2.40654877      -1.79106591       0.58858908 
Hf       4.88805063      10.29924067       4.98250306       4.41661568       1.85582054       1.46899189 
Hf       2.45061677       2.58926535      10.38708170       2.86973415      -0.82657232      -0.35849173 
Hf       2.44207143      10.22320487       2.23159950      -0.80911421      -0.25873856       0.13012539 
Hf       0.00490184       2.26797698       2.65932641       4.85875027       0.64837205      -6.41388601 
Hf       2.05848949      10.26307607       7.66333929      -0.60902955       1.84199253      -2.70865111 
Hf       7.60874623      10.45774048       7.77576009      -0.85013344      -0.16378960      -1.63279543 
Hf       2.45335651       4.79653449       7.86111300       3.71297669       0.91443511       1.43257703 
Hf       5.15886544       5.08584465       5.44852548       0.09063218      -1.22967404      -1.92380245 
Hf       0.32949084       5.23823723       5.19205805      -1.78106335       3.54971263      -1.31525548 
Hf       2.81682901       7.77721490       5.08852808      -2.87672741      -2.37716875      -2.42069723 
Hf       5.04337647       5.43646863       0.27303417      -1.15113144      -3.46065059      -4.86674914 
Hf       5.50953767       7.80185516       2.69246836      -0.86180422       0.74691006      -0.28899707 
Hf       5.12503743       7.87107400       7.75013475      -0.20353011      -4.15508211       2.35223858 
Hf       7.49771565       7.81499725      10.33040838       2.93451457      -1.61603773       0.89165141 
Hf       8.02041537       5.10779897       2.34505771       1.77049135       0.28532715      -0.57641126 
Hf       2.44154477       5.14944366       2.40881676       2.45837481      -2.52999582      -0.45731885 
Hf      10.23833199       7.73161670       2.29142011       2.14285044       2.03471193      -1.71434076 
Hf       0.03641317       5.21767512       0.01425779      -2.00387573       0.05140931      -0.17565097 
Hf       7.84503765       2.80982011       4.73235607      -1.58692455      -4.90472980      -2.92961445 
Hf      10.22180826       7.69706903       7.82260126      -0.12540333       0.56726335      -2.35949806 
Hf       4.57850973      10.30240355      10.04201182       0.35960771       1.15684761       1.42252206 
Hf       2.35494566       7.74264703      10.17497160       0.07074787       0.28361033      -1.43325380 
O       0.62848202       9.36740746       1.07925780       1.45107334      -1.36207296       2.25005713 
O       1.30672297       6.71573928       1.04807501      -0.64708037      -1.78062773       2.50088264 
O       0.89589479       1.47429311       5.86497830       0.42822498      -0.49424460      -0.64923577 
O       1.03898658       0.75035202       3.38188261       1.08772118      -2.21353208      -0.06907770 
O       3.87659549       3.71909604       1.34171493      -0.25376669       0.02836643       0.22643590 
O       1.30419266       1.65443849       8.22790454       0.40949913      -0.36960054       1.11851342 
O       3.85771510       4.35879594       3.90799901       1.98911059      -1.77273208       1.35115183 
O       6.73763038       4.09231874       1.36268375      -3.25560042      -0.58986105      -1.64461519 
O       4.00403404       1.31749426       3.63534215      -1.70679702      -0.68104731       2.22410054 
O       1.63541356       3.08322132       3.82626228      -1.68931161       1.89717892      -1.06152361 
O       1.17502060       1.20315563       0.33085333      -1.86625587       0.43483937       0.96969551 
O       2.04676442       5.89134894       4.15041138      -1.47360005       1.38406421       0.40770933 
O       3.46386728       1.09112019       0.98229013       1.75627266      -0.63504051       0.42761734 
O       1.05508747       4.11364550       6.52557690       2.73382651      -1.69546823       3.10918040 
O       0.55302427       9.11748612       6.53791194      -0.30690856       4.68814422       0.00516113 
O       6.66761726       1.22774261       4.10064481      -1.88693273      -2.17897014      -1.67850951 
O       5.87518211       8.60411482       9.74220805      -3.22494007       1.84468350      -1.67386748 
O       8.35934965       1.01778237       6.32479112       2.84392404       1.50930150      -1.53552712 
O       4.29467738       4.18206117       9.22585064      -1.14831608      -1.19513352      -0.52249334 
O       0.86121357       9.05088634       9.08097938      -0.60063992       0.95966922      -0.88539043 
O       1.07331812       3.97415231       1.43709435      -0.80152646      -0.43676523       2.59845704 
O       3.52761010       8.65859191       6.60895703       0.55033745      -1.53644017       0.29585744 
O       8.27927652       9.19337789       9.15664718       3.37964168      -0.01262115      -0.03192484 
O       0.90527376       6.60425813       9.00971262       2.44768855      -2.16977729      -0.68218973 
O       1.28876182       8.83499479       3.79670197       1.70824318      -1.12752800       0.69823474 
O       4.72889605       6.81986227       4.31016400      -1.84809082       1.44750421       1.44063509 
O       3.31097431       9.04203340       0.83169512       1.05237865      -0.03595180       0.45718533 
O       3.92263055       9.21207199       3.30392229       0.07758837      -1.22902862       2.16778743 
O       1.78046065       4.38432917       9.97421136       0.86241754       1.00720459      -5.79433241 
O       9.02567033       3.92306563       0.46387371       0.46593615       0.76907079       0.50518961 
O       5.63649351       1.06869248       6.56500370      -0.93131732       1.76595478      -0.76144930 
O       6.94499291       3.74260961       8.98736414      -0.92560340      -0.70017261      -1.51149819 
O       3.23011193       0.25232271       5.81790248      -2.84611067       2.01369765       0.69620326 
O       3.91067083       3.34041301       7.03801566      -4.52572252       1.54907964      -4.53838786 
O       9.48577830       3.77145226       8.36534898      -0.48001281       5.46612274       1.59327187 
O       9.35521517       6.31847163       6.52602852       0.32030194      -4.59010080      -1.19961063 
O       9.08391955       3.88787481       5.47511047       5.44269411       3.46197439       4.11805083 
O       6.57476082       0.94437873       9.02119990      -3.13887957       1.73647005       2.77028726 
O       6.40296432       1.56452400       1.31499891      -2.71880899      -0.74051008       2.57504877 
O       8.80763730       1.07136859       1.10561860       1.05192918       0.06142333       0.77136282 
O       6.00787322       9.68313420       1.73509114      -1.30774632      -2.30195570      -0.94997973 
O       8.45453597       8.18815496       6.65451797      -0.86728072       5.16325742       0.34708891 
O       1.09715667       7.09111038       6.19319080       1.81880120      -3.49870568      -0.29305525 
O       6.63155105       6.30109973       6.66530684      -0.44499212       0.57034645      -4.79831229 
O       9.05842723       6.47054719       9.24308543      -2.07277449       0.16368178      -0.64851987 
O       6.64142057       3.41568309       6.03370182      -3.81510620       3.22291620       4.23148595 
O       5.87387572       9.39204971       6.94595706       1.69976643      -1.41059075      -0.10270914 
O       6.28991429       6.18224148       8.82996579       1.15476376       1.40572601       1.43659927 
O       3.88608823       6.74944609       9.36408392      -1.37241679       0.17889737      -0.03279560 
O       6.56615027       6.35715858       0.92702462       1.26802225       3.36398119       2.44008076 
O       9.12023778       6.51664295       1.34686733      -0.69083182      -2.56110547      -2.60353310 
O       9.30304410       1.57830830       3.84284210      -3.54538659      -6.54464343       4.31882425 
O       9.39526670       8.83434777       3.56914469      -4.05704538       1.42924559       5.22900817 
O       8.61756347       8.90234113       1.58284560      -2.03584789      -0.75409281      -3.02233169 
O       6.38641380       3.60029378       3.56578400       3.79363041       4.66208326       3.15414632 
O       6.83357131       6.45149264       3.40804716       2.31679780      -0.77489367       1.06747499 
O       6.63885258       9.05054336       4.13498441       0.14154610      -1.66605829       0.42933975 
O       9.07708062       1.39218703       8.89290554       1.09284354      -1.86168075      -0.98085130 
O       9.75733798       6.22671403       3.61993790      -1.24283580      -0.18983950       2.33013034 
O       9.27384036       3.59499234       3.07720409      -4.30908724       5.67220958       0.16672148 
O       3.94651599       6.36555027       1.52557309      -1.14841261       1.69722584       2.39058848 
O       3.18593818       9.26711384       8.92571613       2.58892965       0.45677481      -0.02299570 
O       3.87744158       1.36308754       8.77972101      -0.14438645      -0.72282638       1.70949423 
O       3.86578119       5.90486624       6.61036599      -1.77161166       0.83424006       1.45810166 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025477934767028157 -0.015389550683674539 -0.00658537761257039 -0.015389550683674539 -0.019044307433948547 -0.005569060804010954 -0.00658537761257039 -0.005569060804010954 -0.021387167460283043" pbc="T T T" energy=-925.44846262 free_energy=-925.4485757 config_type=crystal 
Hf       0.01932908      10.25430163      10.44251834       1.07323823      -0.06500410      -0.93279260 
Hf       5.06722329       2.82342282       2.75158449       1.25673003      -3.35268619      -3.36391052 
Hf       0.12035701       2.32096515       7.96474398      -2.90993419       0.42758928      -3.73242818 
Hf      10.37046044      10.02126216       4.94270649      -1.20486691       0.28333179       2.50925137 
Hf       7.80557568       5.18423132       7.72670177      -0.40724530       0.10398935      -0.60788955 
Hf       7.26382853       8.02932095       5.35796773       1.98960103       0.09324320      -0.32006591 
Hf       7.92011411       2.36581324       0.03610619      -0.87014742      -2.28343694      -0.17223694 
Hf       7.74046555       0.00196168       2.80123123      -2.00031435      -0.49985359       2.29178868 
Hf       2.29190909       2.59798736       5.30631327       1.74600835       1.44302599       0.95927415 
Hf       5.24688346       2.26074065       7.15890948       1.99271257       4.61114425       5.45673959 
Hf       4.42523694      10.21789862       4.73987896       3.80143663      -0.95769328      -0.72380144 
Hf       2.64382377       2.44499883       9.93592736       1.95770094      -1.75194602      -1.61125410 
Hf       2.23382577       0.47518296       2.14184849       2.51511771      -1.24189819      -0.60354225 
Hf      10.14436896       2.36349612       2.74492265       0.83698715       1.38813777      -1.05599468 
Hf       2.66519501      10.25721751       7.73406443       2.02590383      -0.58093775      -2.76146377 
Hf       7.81644650       0.11357167       7.91056621       0.93558219      -1.77726299      -2.99815832 
Hf       1.93071185       5.31337554       8.07048431       3.11391527      -0.73000335      -3.57645430 
Hf       4.89746624       5.18146437       5.07163155      -0.07881280       2.08764378       0.76969487 
Hf       9.94493530       5.20578667       4.53203834      -3.51109576       0.84649273       4.02116897 
Hf       1.97888714       7.22334338       5.30853430       2.97728746       1.78097751       3.30674992 
Hf       5.60640811       4.87696274      10.04695365      -4.46715760       4.64377442      -2.96791369 
Hf       4.85024023       7.80913743       2.63190182      -0.60380303      -1.55970297      -1.35496393 
Hf       5.22374081       7.91728405       7.60857919       1.70454903      -0.42627311      -0.27063452 
Hf       8.20750424       8.16261795       0.56387626      -4.41143856      -6.72241958      -3.70615393 
Hf       7.33635689       5.25629436       1.99152246      -0.62029131       2.16819972       2.29313317 
Hf       2.80279634       4.90308564       2.14572831       2.56125549       1.42263246       0.82777798 
Hf       0.59039018       7.62083040       2.50462278      -2.19806907       0.10377430      -3.34606293 
Hf      10.06341122       4.85516615      10.42043801      -1.52861213       0.84071386       0.29304722 
Hf       7.73594196       2.58293476       5.24988768       1.90210209      -0.90303168       1.61404613 
Hf      10.11793908       7.63956605       7.77929087      -3.67506522      -0.00511154      -0.39812908 
Hf       5.62593176       9.99867683       0.06372963      -1.05366589       3.52766877      -2.03771368 
Hf       2.89066062       7.82017708      10.05121224      -2.66289262       0.94748554       1.47843344 
O       1.09019958       9.31319976       1.38937507       4.09093045       0.59132095      -0.04647941 
O       1.91807349       6.59266032       1.17401657       0.52178721       2.55129325      -0.84604772 
O       0.99929655       1.35423198       6.14545289       0.22736936      -1.98806888       0.65375759 
O       0.82026529       1.05003387       3.60005798       0.80819715      -3.94793914       0.02824833 
O       3.55664282       3.45940303       0.75667204       1.63725042       2.12690189       4.80052257 
O       1.33560036       0.90152927       8.73495687      -1.43930466       4.29692553       0.94720033 
O       3.88906691       3.91902086       3.76612224      -5.58114705      -0.68500810       0.50930880 
O       6.32388485       3.72081888       0.87180369       2.55098327      -2.01381023       2.10995639 
O       3.46171459       1.53129622       3.28965843       0.85355747      -0.02533155       2.17375520 
O       1.32693487       3.21094277       3.81330262      -2.18409230       2.74285947       0.38425189 
O       1.21144873       1.84005100       1.02533060      -0.60003666      -0.59348586      -0.20058879 
O       1.08054242       6.22010484       3.88700057      -1.86272905      -1.11106629      -0.71529067 
O       3.71201785       0.74847355       0.57348779      -1.06429061      -0.21161596       1.21844212 
O       1.35871319       3.66840875       6.90416573       1.50277392      -0.97256066      -1.00533391 
O       1.37265385       8.78466158       6.52100411      -0.92492045       0.71141682       0.41743734 
O       6.14410128       1.16960078       3.66869103       0.35996076       3.45498496       0.22068788 
O       7.11886109       8.79252620       9.49419521      -3.27980406       2.90601874      -1.25762723 
O       8.82209918       1.54893857       6.75558860       4.45803877       1.68520485       1.47249892 
O       3.33062471       4.11207830       8.88346680      -0.13589841       1.46314954       0.46241696 
O       1.93323514       9.40602072       9.23920677      -0.34104206      -3.08958957       2.90721626 
O       0.99988915       4.57331421       1.85811232      -4.23561949      -1.43081349      -2.48972586 
O       3.61859498       8.89799452       6.01301066       1.20058192       0.20891625      -0.66585109 
O       9.49639469       8.88205156       9.45248814       0.90958688      -0.32393538       1.11886331 
O       1.16154285       7.05299739       8.80198723       2.52310940      -2.16889309       3.95461793 
O       1.14427122       8.84760364       3.89998986      -0.36858438      -0.31264525       1.16847836 
O       3.41502833       6.53001457       3.74892512       2.01430686       0.88180648      -0.87448680 
O       4.34187387       8.62898335       0.69764916      -0.39509257      -1.22341755       0.21969912 
O       3.55030899       9.36377841       3.17631262       0.14837164       0.28574980      -0.31335634 
O       0.84194268       3.90637675       9.20753468       0.27118990      -0.35742564       1.72940319 
O       8.98104538       3.83873726       1.28768516      -0.31331840      -0.98340611      -1.81341975 
O       6.84335271       1.19901248       6.40453718      -3.64347543       4.31987087      -0.95976068 
O       6.05200029       3.77764762       8.53140623       1.83472008      -2.01381283      -0.26820944 
O       4.25666613       1.14047711       6.14616658      -5.68231045      -2.23830512      -3.11942676 
O       4.05381275       3.81868821       6.12963637       0.30049783      -3.95635888       1.31971879 
O       8.89062736       3.52264023       9.22239784       0.25687848       1.39248848      -1.24490584 
O       7.99628199       7.07003919       7.09392453       0.87719023       0.39144930       0.22994210 
O       9.53077584       4.41069740       6.55174878      -2.86593227      -1.33004671      -2.16891802 
O       6.77859697       1.16329113       9.09010758      -1.16116667       0.53860894       1.07856485 
O       6.56815822       1.32436500       1.10342520       0.21085151      -2.35339550       1.21973886 
O       9.34910155       0.81201793       1.49602450      -1.76201064       1.27781618       0.09372528 
O       6.56437918       9.10555444       1.59923243       1.89678666       0.17382182       0.01334363 
O       9.53055375       9.17154058       6.85460335      -2.24831706       4.35914996      -2.33383929 
O       0.43346500       6.24082216       6.64124934       2.36692716      -0.16689596      -2.87118077 
O       5.72675999       6.95396768       5.93425491      -1.63169357      -0.99360743      -1.63323694 
O       8.83873594       6.18309332       9.20268297       4.21703161      -0.93138804       0.89695590 
O       6.74902012       4.24396498       5.99177725      -0.34623014      -1.22731985      -1.01579904 
O       6.30820973       9.71556623       6.57678697       0.90540444      -5.51160283       1.86590124 
O       6.08299385       6.12496750       8.36968418      -0.40277100       0.90615923       0.69932064 
O       3.75627690       7.03143838       8.60421624      -0.80477559      -1.52556536       0.34360305 
O       7.16738155       6.28459620       0.25968275      -1.58078897      -1.54158099       1.99380997 
O       8.83714047       6.62793435       2.18245577       2.63941615      -1.45696971      -0.95630512 
O       8.92255921       1.13453734       4.11333717      -0.25457163       0.79239695      -0.53575531 
O       8.63942799       9.01754626       4.25933072       3.09333791       3.63517848      -1.91620647 
O       9.50421095       8.76088447       1.63351520       1.73722323       3.35421076       2.82038140 
O       5.71051979       4.64486303       3.23192938       4.97075725      -1.80975878       0.11845185 
O       6.39187528       6.83961921       3.13359096       1.46032693       0.33570050       1.14673997 
O       6.32287256       9.38404484       4.13245055      -3.38153225      -0.64614177      -1.18251975 
O       9.32739235       0.99878601       9.35613965      -0.84154375       1.62248231      -0.44043726 
O       8.73676469       6.75005648       4.82843422       2.39792225      -4.04697764      -1.25959365 
O       8.65652463       3.69625272       3.51753848       0.67605382       0.69239516       2.57022881 
O       4.75673112       5.83085859       1.37922997      -2.07683907       1.14899837      -1.16164898 
O       4.43785049       9.59480271       8.38619378       0.13394863      -0.34947394       2.36770706 
O       4.06860306       1.57100247       8.74615015      -1.17111681       0.53469661      -1.86207934 
O       3.23308768       6.02549527       6.27526098      -1.57789714       0.35342970       0.54968665 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.005106905564452985 -0.007750845723737577 -0.0037416733662026984 -0.007750845723737577 0.002122365596810486 -0.0007836454381496865 -0.0037416733662026984 -0.0007836454381496865 0.01447598609847347" pbc="T T T" energy=-933.62829588 free_energy=-933.6285905 config_type=crystal 
Hf       0.09584977      10.33418009      10.31632925       1.45972656      -3.24525900       1.35075958 
Hf       5.01321320       2.25967718       2.19857728       1.75258543      -1.40717478       0.73179038 
Hf      10.35792360       2.18771410       7.92635458       3.33768519       3.16605776      -1.29997432 
Hf      10.07961018       0.04687696       5.23535850       0.26080186       1.39104776      -1.47514146 
Hf       8.23378769       4.84724491       7.85087978      -2.13707349       0.90053369      -0.92059182 
Hf       7.51392392       7.89523386       5.08389762       2.87980561       0.78941394      -1.98509226 
Hf       7.91625627       2.49108653      10.31398503      -3.64153816       0.53608916       2.07468836 
Hf       7.63887633      10.35944371       2.43465331      -2.35652649       1.38708523       2.73857903 
Hf       2.58361569       2.36423252       5.24180756      -0.83031636       1.07476580      -1.71520945 
Hf       5.19830470       2.74242720       7.71595654       3.20932506      -1.12422724       4.18612833 
Hf       4.99195226      10.36830178       5.41908301       0.07786638      -0.76971824      -6.91675725 
Hf       2.46161581       2.48385816      10.40789615      -0.14862212       3.04829305       0.65140592 
Hf       2.47005920      10.43403381       2.59500480      -0.62129171       1.97319742       2.06346058 
Hf      10.29509113       2.69356281       2.48025088       0.26474488       0.44423008       3.05597178 
Hf       2.35023754      10.05558282       7.52514850      -0.76772084      -1.44259643       0.76538850 
Hf       7.23697760      10.30695185       7.77056478       1.45012302      -1.53375490       2.28067766 
Hf       2.73184430       5.09504287       7.75776168      -1.65850063      -1.43903700       0.86583039 
Hf       5.09620357       5.10754935       4.79965960      -2.28727766      -1.20416259      -2.96330359 
Hf      10.19431220       5.17066713       5.01691624      -0.72693833      -1.70052603      -1.72118709 
Hf       2.13096427       7.65293024       5.17827972       2.85893357      -0.33020479      -2.29088281 
Hf       5.41710867       5.65777015      10.01639852       0.31737235      -0.90835080       0.88372980 
Hf       5.11185326       7.93474858       2.52082320       0.16442390       0.18327382      -0.21992353 
Hf       5.13634260       7.58636416       7.20566367      -1.84218072      -1.67843442       1.56636437 
Hf       7.95073235       7.90345935       0.01112442      -0.50035109       1.15296291       1.04193490 
Hf       7.61540137       4.89935570       2.35385215      -1.26211516      -0.24125759       1.06045477 
Hf       2.50925230       5.44967299       2.62198437       0.83366753      -2.72224872      -3.67950795 
Hf      10.28393762       7.84923198       2.71407499       2.42414873      -2.57851215      -2.20707951 
Hf      10.29296838       5.10449447      10.31897333       5.34528902       2.55342827       2.53758663 
Hf       7.74237176       2.20362439       5.23476046      -1.81227250       2.44462449      -1.51802644 
Hf      10.10729391       7.40197347       7.80480861      -1.41640528       1.15636630       1.25423344 
Hf       4.73232530       0.01074942       9.88442005       1.61481735      -0.97014842       1.87660418 
Hf       2.69867482       7.68197572       0.09539889      -1.66253563      -0.89216359      -1.77172238 
O       1.24579576       9.40287500       1.33663704      -0.73321414       0.79754555      -0.76208386 
O       1.38623165       7.00700755       1.30311380       0.37772285       0.44239273       0.34386887 
O       0.87930314       1.08950096       6.37160099       0.74633218      -2.55667445       1.23198256 
O       1.36136511       1.40221773       3.85917628      -0.47703175      -1.33017795      -1.06237175 
O       3.80578631       3.30790227       1.28720036      -2.06826574       0.99746495      -0.55679338 
O       1.53224163       0.90576044       8.95594095      -1.53042449       0.66082444      -0.38666201 
O       3.25706354       4.30490181       4.09340701       2.05443279      -0.81300035       1.59495600 
O       6.42645434       3.92846755       1.07527782      -0.18220009      -3.26642604       2.49696658 
O       3.89061486       1.39027150       3.88991708       0.87413450       1.03447063      -0.93145353 
O       0.95824330       4.17626227       3.49827209      -3.13156134      -1.97559963       0.62091626 
O       0.94120171       1.71892682       1.13318196      -0.80904648      -0.79663648      -0.76631839 
O       1.25268849       6.50860449       3.46956519      -4.39807828       3.98430125       4.60360391 
O       3.39487880       0.77324348       0.97815556       0.16291174      -0.16907451      -0.68321167 
O       1.50293826       3.39205450       6.52826148       0.53472861       1.34704536       0.99167721 
O       0.90016427       8.51049403       6.78447772       1.42332980       2.40236442      -1.91205175 
O       6.71451850       0.96350812       3.96836272       0.58855774       1.23704816       0.71651272 
O       6.55976704       9.35654511       9.49251549       2.92695078      -0.56195981      -0.15490909 
O       8.73987378       1.07274227       6.73732173       1.40437030      -0.55216408       0.42868327 
O       4.09446965       4.25999051       9.28523397      -0.43644275       1.59541592      -2.71719175 
O       1.79050694       8.87085398       9.12264491       0.45572446       2.70209623      -0.09779808 
O       1.46068694       4.63025086       0.99873986       0.32167555      -1.93691696      -1.07195037 
O       3.68113576       8.87916007       5.99559072      -1.70854941      -1.42017563       0.76890393 
O       9.19831741       9.02862211       9.22132034       2.23058645      -0.74747968      -0.97844519 
O       1.24062745       6.57628480       9.18621849      -1.38634163      -2.48583980      -2.82213346 
O       1.45621149       9.07503751       3.86923252      -1.95839561      -0.20929142       1.76816131 
O       3.74425877       6.77185014       3.66359995       1.11271031       0.99072739       2.32018447 
O       4.38964370       8.56364757       0.49090413       1.13580510       3.74988136       1.69126821 
O       4.00429214       9.57089509       3.42467042       0.38413965      -2.24999689      -1.49098520 
O       1.21736653       3.65106657       9.00985569       1.73551335      -0.71747295       0.37321194 
O       9.38726121       4.14448772       1.35872062      -1.82111462      -0.48749026      -0.10124149 
O       6.27030984       1.00575734       6.43059467      -0.92282854       3.74181524       1.76706639 
O       6.95915608       4.06038584       9.40579204      -0.06110369       0.08691869      -2.87521228 
O       3.57965119       0.83813256       6.36944380      -1.74019342       1.94250099       2.13281734 
O       3.98236471       3.48737437       6.53943090      -0.02629475       2.14704458      -1.44089773 
O       9.47282009       3.83024153       9.10664481      -3.17789273      -2.85074812      -1.15892892 
O       8.88797815       6.30600607       6.31851444       0.92576223       0.51849230       4.04688218 
O       9.53438469       3.93029432       6.47212811       0.33721822      -1.55632160       2.27234611 
O       6.52482867       1.48120478       9.08593167       1.53256078       0.17089045      -3.65739484 
O       5.97646981       0.92760643       0.62912224       1.25843272       0.87667611       5.16724376 
O       8.36073087       1.82229551       1.97562409       0.45267266       0.91500939      -2.27843798 
O       6.98820157       8.75524926       1.59599963      -2.32979806      -2.75843439      -0.11618359 
O       8.41711931       8.73830186       6.73196251       2.49491769       0.92661781       0.11024783 
O       1.29766060       6.07680916       5.89046287      -2.23990372      -0.98254123       2.87603694 
O       6.06426856       6.75853033       5.41389460      -2.10419087      -0.92029119       4.52221201 
O       8.93553259       6.36078941       9.39905348       0.27960455      -0.20816182      -3.92176883 
O       7.09391270       3.75184907       6.61297532      -3.31030996      -0.96679305       0.00749405 
O       6.22308174       9.15882300       6.45390834      -0.07970949      -1.76758730      -0.06719437 
O       6.46956661       6.37783204       8.35571442      -0.25332724       0.29366495      -0.55338819 
O       4.00531165       7.07958133       8.88512088      -0.66075530      -3.62029971       0.18756468 
O       6.92572934       6.06954478       0.84966014       0.05978466       3.71448110      -2.52933843 
O       9.41759079       6.82208738       1.15620467      -0.65148748       1.50716787       1.59987324 
O       9.43083441       1.77363438       4.31213615       1.87879224      -4.59035115       0.56120502 
O       9.18664656       9.10464084       3.84429680      -1.18361754       2.52802925       0.96111050 
O       8.93822816       9.94007543       1.17078744       4.89840022      -1.28297717      -2.93604014 
O       5.73697489       3.32749657       3.71583644       0.93144260       3.26632653       1.71225612 
O       6.45247531       6.34714002       3.31091539      -0.85644830      -1.39938425      -1.17236927 
O       6.25993208       9.16495839       3.96841976       1.36390498      -2.38148366       0.11112504 
O       9.40557821       1.26723033       9.60996081      -0.78438269       1.90105672      -1.88307021 
O       8.92373111       6.58089548       4.08774783       1.85954502       0.30934827      -2.31057613 
O       8.50411614       3.72528512       4.11895553      -0.44735157       3.51933225      -1.99527796 
O       4.07545759       6.45060636       1.33121304       0.25543082      -2.11759177      -1.65344397 
O       4.71563851       9.17595701       8.33325239      -3.30679962       4.08158048      -0.67620245 
O       3.95256587       1.96081452       9.15248990       0.81570659      -2.78867729      -1.63517914 
O       3.58763659       6.18160304       6.28841982       2.33706001       0.09666289       1.03360463 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014723822632127128 -0.0071173950374497945 0.014418382143452634 -0.0071173950374497945 -0.010953066379933535 -0.0016517596410054918 0.014418382143452634 -0.0016517596410054918 -0.009066198077929162" pbc="T T T" energy=-934.16007627 free_energy=-934.16008548 config_type=crystal 
Hf       0.07926127      10.30350282      10.30356687      -0.05334708      -1.15367598      -1.01754531 
Hf       4.98441712       2.17624147       2.17131293       0.28405177       2.99088239       1.65905885 
Hf      10.34256875       2.18662854       7.98811113       3.65681059       3.60174632      -4.39299000 
Hf      10.11389002       0.05570970       5.19333462       0.04978905      -2.05044799       0.38865415 
Hf       8.19682767       4.83325557       7.78802679      -1.19119365       1.35492694       0.96846128 
Hf       7.50422531       7.89910531       5.04248433       3.62962560       0.22509408       2.59934694 
Hf       7.94429009       2.46341327      10.36127205      -4.30555091       3.46228203       1.05175407 
Hf       7.64402036      10.31554156       2.40851188      -1.30477902      -0.17891901       1.59426678 
Hf       2.56841228       2.36839744       5.30520647      -0.20537764       0.58705163      -3.23775555 
Hf       5.22861167       2.75710070       7.69106404       2.35606947      -0.10649866       2.52035968 
Hf       4.98766405      10.34174045       5.38304904       1.90841079      -0.50189455      -3.27367407 
Hf       2.40100950       2.52895680       0.02008820      -0.78744929       1.21859614      -0.07862570 
Hf       2.51017311      10.39961131       2.65567266      -1.64539844       2.66729010      -0.19734132 
Hf      10.26522593       2.74092509       2.41072632       2.45656791      -1.27970860       1.78600711 
Hf       2.33769945      10.06842621       7.53888068      -0.52649292      -1.15739414       0.78231181 
Hf       7.26516150      10.31678306       7.81073813       3.15768102       0.38453296      -1.38612989 
Hf       2.75207735       5.05925872       7.77966304      -1.82391757       0.56082638       0.35851494 
Hf       5.14003518       5.19454221       4.80375942      -2.49501632      -2.07839167      -3.33688143 
Hf      10.14364585       5.14758340       4.99718065      -1.50989339      -1.67638841       1.11020181 
Hf       2.15316329       7.68599411       5.14385367      -0.24523917      -1.90230877       1.21347015 
Hf       5.40603773       5.66626525      10.09332101       1.58035640      -0.67780406      -0.28644626 
Hf       5.16344765       7.95044955       2.48270562       1.52034272      -2.82005521      -1.83474291 
Hf       5.12055894       7.54888438       7.21584906      -2.77398067      -1.85178092       4.46393694 
Hf       7.90408638       7.90958783       0.00102443       0.73825785       0.20040480      -1.40007796 
Hf       7.66209120       4.95023525       2.33700408      -1.58803005       0.20536665       0.11776555 
Hf       2.51197131       5.48776243       2.66077388       0.34913284      -2.85156760      -1.50571478 
Hf      10.25469244       7.87525242       2.71418123       0.14106962      -1.21630162      -2.74314379 
Hf      10.32253571       5.17428561      10.33579104       1.01232236       5.41058216      -3.21606233 
Hf       7.73582380       2.12758818       5.23315767       0.21972025       3.04147307      -1.04133043 
Hf      10.11645790       7.39544853       7.81658916      -0.39255130       0.93056862       1.01060288 
Hf       4.74063693       0.08763485       9.92408632       1.29617557      -2.17669727       1.83779083 
Hf       2.64043293       7.62233125       0.10404837       2.98068962       2.64753577      -6.24639443 
O       1.27275533       9.34631984       0.98451043       0.86513092       0.29358358       2.36708133 
O       1.41643868       6.99427961       1.18830849      -3.50184851      -2.75154728       4.83190708 
O       0.94407751       0.92153175       6.20977941       4.30636775      -0.21321812       2.68812862 
O       1.25040822       1.46134318       3.68727083       2.11569438      -1.54300807       0.44130746 
O       3.62754075       3.35675190       1.31964893       0.42294599       0.25596576       0.69748721 
O       1.30865398       0.83630736       8.86387680      -1.57659645       0.69935478       0.56896714 
O       3.16878575       4.16113505       4.09845873       0.60471852       0.88616273       0.08385443 
O       6.45515120       3.82558889       1.19959858      -0.00789047      -0.90786889       0.49128248 
O       4.14607293       1.32489187       3.93948396      -0.90782219      -0.92702195      -1.31144834 
O       0.76570876       4.01322786       3.51541300      -0.89424557       3.05172933       1.22539223 
O       1.06481476       1.46278039       1.26627341      -2.02881454       1.22893676      -1.91973557 
O       1.17144838       6.78543381       3.52734813      -0.27663433      -2.84238420       2.21057224 
O       3.42139366       0.81097937       1.06392168       1.11044304      -0.66923608       0.22688447 
O       1.44692253       3.26219931       6.44378616      -0.84073442       2.17477064       0.92389521 
O       0.78762383       8.67076714       6.73406256       1.00829609       1.06906069      -1.99297606 
O       6.85144633       0.87252073       3.86073449      -1.20523729       2.51889431       1.50676594 
O       6.73000502       9.31099318       9.25537045      -1.00184796      -1.25250665       4.17493668 
O       9.00149885       0.99240111       6.65336198      -1.08643990       0.65317348       0.90190340 
O       4.19613612       4.34471879       9.06204875       0.48811574      -0.55931100      -0.85487156 
O       1.91443847       8.84774503       9.04221959      -0.02768152       1.57337665       0.15836115 
O       1.39338708       4.61314940       0.70328029       4.24898797      -3.16328690       3.06374294 
O       3.37617068       8.83146046       6.18961962       1.43870436       0.61338317      -1.51911096 
O       9.33667001       8.90832738       9.36548032       2.94652368      -0.09173241      -2.33091025 
O       1.41516484       6.39223332       9.01612065      -2.38109639      -1.27612917      -1.41725666 
O       1.41093492       9.06850566       3.70236466      -0.39701451       0.51519722       1.57557814 
O       3.95514851       6.63006485       3.69013051      -1.56757901       0.76900853       2.26655863 
O       4.36661293       8.67799321       0.55879136       0.52083246       1.15271097       1.01250988 
O       4.11118333       9.33376700       3.28886802      -1.41269063       1.13137652       1.47576177 
O       1.42628653       3.44101789       8.83636084       1.00834374       0.05090231       0.92439475 
O       9.37798910       4.27816862       1.16394349      -3.31244068      -3.76291771       3.88399399 
O       6.47924146       1.12153308       6.51724559      -4.25678745       0.59143507      -2.10494615 
O       7.06201591       3.97592695       9.23350844      -2.20709073       1.67917696       0.59766941 
O       3.75070658       0.93519757       6.32439215      -2.00140535       1.85217199       2.75714533 
O       3.91914792       3.69307539       6.58523675       1.26346349      -0.45898598      -0.72952548 
O       9.46514596       3.92640404       9.06324231       0.20543876      -2.34551946      -0.38068957 
O       8.85969115       6.35965330       6.56245445       1.39228434       0.40475449       1.38795079 
O       9.43187988       3.82250136       6.55276285       2.03399137      -0.32416012      -1.03713644 
O       6.77882670       1.77531735       8.83704146      -1.55303915      -2.79154493      -0.20526706 
O       6.00077494       1.16501533       0.73219588       2.36120473      -1.22111991       1.41291285 
O       8.56554457       2.00806031       2.00221818      -2.79709771      -2.58759595      -3.16972886 
O       7.06869847       8.47180447       1.71703244      -2.64232575       1.17855847       1.37026458 
O       8.30693618       8.96818253       6.80292952       3.05339687      -1.43911884      -1.59243483 
O       1.16174872       6.11956558       6.15750775      -0.42155616       0.39936509      -0.20265438 
O       6.04457180       6.76313285       5.58109110       0.30691020      -1.28729902       1.44524275 
O       8.82036221       6.42334075       9.31400064       2.52064526      -0.47205446      -2.30730016 
O       7.14239779       3.61422984       6.63020467      -4.72166436      -0.44664756      -0.77856136 
O       6.11395842       9.00856374       6.54617333       0.05722850       2.34413373      -2.27973915 
O       6.55233489       6.58484657       8.47958640      -2.65333585      -0.36369130      -0.16034253 
O       3.76880169       6.99866840       8.84770118       2.14608668      -2.33122148      -0.09540592 
O       7.02803802       6.23273775       0.73266781      -2.22810431      -0.52629347      -1.37822389 
O       9.35799102       6.73550009       1.23936669       0.54721482       1.71067108       1.87748972 
O       9.32509816       1.46406407       4.26231819       0.14706202       0.95162390      -1.99488275 
O       9.26939798       8.97665837       4.04133202      -1.23364862       1.77031296      -1.10335421 
O       8.75889799       9.73506727       0.97857473       4.23305246       1.21811077      -0.92122955 
O       5.71376861       3.40290795       3.71400193       0.48401971       1.68194219       1.13262370 
O       6.39355636       6.33406428       3.15747294      -0.30293332      -1.10366245       1.44142353 
O       6.51943816       9.11064028       3.99455606      -1.77057412       0.07992531      -1.53194740 
O       9.19297861       1.44724583       9.30749725       0.96260995      -3.21577467       2.00014067 
O       8.79481443       6.59661707       4.28689199       3.10581449      -1.50504591      -3.08525563 
O       8.40483848       3.91201385       4.02671126       0.92578092       0.62729185      -0.54814011 
O       4.12209602       6.26350346       1.48043300      -0.26081096      -0.10040519      -3.50351731 
O       4.56096639       9.57835163       8.20985662      -2.11708014       1.36191532       0.32051951 
O       3.84264743       1.73141373       9.30192024       1.18922695       0.40755146      -2.71020160 
O       3.81465453       6.18829021       6.20438398      -0.89370631      -0.11504985       1.41659567 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03313584832706604 0.01123057534756408 -0.0038195128992360343 0.01123057534756408 -0.037983499577976115 -0.0036013674991206067 -0.0038195128992360343 -0.0036013674991206067 -0.030054336335251564" pbc="T T T" energy=-924.4676256 free_energy=-924.4680279 config_type=crystal 
Hf       0.05612353      10.23381844      10.26078146       1.34567207      -0.68933554       1.31110678 
Hf       4.93210810       2.08222453       2.15733857       2.26558803       5.17633860       2.48085570 
Hf      10.37530796       2.25006334       8.02608512       0.43713048       4.01382732      -3.60334442 
Hf      10.20736428       0.03559220       5.13756568       2.75733009      -1.26996151       1.12118972 
Hf       8.10450040       4.81484961       7.67909008      -1.10743473      -2.25524840       0.91164773 
Hf       7.55445606       7.89747572       5.01712421       2.73585562      -0.37971656       2.63964300 
Hf       7.92447904       2.47050276      10.45439768      -3.36130532       3.35510884      -3.85022851 
Hf       7.63462527      10.24116634       2.39154763       1.43110627       3.62921378       0.71919747 
Hf       2.53607246       2.39032235       5.38139381       1.32853919       2.02653241      -0.11161934 
Hf       5.31241579       2.78530146       7.68003727      -3.48557013      -0.52463923       0.58848400 
Hf       4.99808933      10.30077532       5.27064299      -1.97959057       3.35205521      -0.10874113 
Hf       2.28099201       2.61826091       0.15838940       4.08791603      -6.64605033      -2.16630524 
Hf       2.55576545      10.38056513       2.76496595      -0.37529381       1.27225859      -2.21402294 
Hf      10.24774278       2.79941419       2.31079389      -0.76723126      -3.75055526       1.37013159 
Hf       2.30318161      10.09225827       7.56947516       0.77138185       0.47729068       0.89814518 
Hf       7.36512250      10.34639016       7.86000641       1.14487554       0.78280449      -2.13635088 
Hf       2.76341789       4.99033126       7.81390887       1.17084441      -2.32142658      -2.22578181 
Hf       5.18467404       5.30887456       4.76455314      -1.55059532      -3.02272543       1.72228323 
Hf      10.02893860       5.08117955       4.98944215      -0.56099445       2.48862713       6.06334157 
Hf       2.18925127       7.71784088       5.10588962      -1.64243834      -0.96270995       1.81069743 
Hf       5.39913915       5.65882493      10.21609529      -4.46971926      -5.46740634      -7.10385153 
Hf       5.27065367       7.91971221       2.38533783      -3.02260990      -1.58710841       1.49671173 
Hf       5.03990640       7.45250146       7.31327703      -0.98291234       1.28566864       0.75174735 
Hf       7.84243418       7.92870100      10.41910200       3.91198064      -2.15637051      -0.28382507 
Hf       7.71391301       5.05039615       2.30807351      -2.76653933       0.23940455      -0.14954939 
Hf       2.53343246       5.50308767       2.71202582       1.94107697      -3.52978137       0.99002749 
Hf      10.20862064       7.90843362       2.68254755       1.84311221      -0.93555621       2.73056212 
Hf      10.39917676       5.37413780      10.33618489      -0.58048465      -0.34770607      -0.11480463 
Hf       7.72670920       2.04188058       5.21896477      -0.88112581       2.97192493       0.08347757 
Hf      10.15504134       7.41342904       7.84676070       4.30227702      -0.85964186      -6.71639012 
Hf       4.78116917       0.19183760      10.02598326      -0.14280134      -0.53762198      -0.64561317 
Hf       2.55866312       7.54932469       0.03154429       0.57017806       1.40289593      -0.97450651 
O       1.54412182       9.18577074       0.81713255      -0.70891375       0.03303953       2.83410644 
O       1.16159152       6.61109852       1.52315247       1.52124973       0.32859588      -2.33492577 
O       1.61140075       0.64716565       6.15252752      -3.35928680       3.30176996      -3.84279031 
O       1.40974408       1.33961080       3.51272978       0.21215353       1.47754339       2.06923286 
O       3.47188921       3.46190916       1.55265030       2.14867079      -1.38098711       0.60709559 
O       0.74825219       0.74397277       8.79472745       3.67969238      -1.41889786      -1.23545910 
O       3.06228473       4.09704684       4.05988043      -1.05252351       1.28166759      -0.93842957 
O       6.51023533       3.53738564       1.48086002       0.06644978       1.79541574      -1.13532628 
O       4.40690822       1.05482561       3.80754924      -2.75561845       1.25065145      -0.99795208 
O       0.32820423       4.15215181       3.67414549       3.82229017      -3.06369244      -5.30356984 
O       0.92546055       1.26400925       1.13975411      -0.91969767       2.17085438      -1.03335720 
O       0.88854877       6.72043515       3.97882368       0.84466371      -1.45766000      -1.66261643 
O       3.67553812       0.81729855       1.25400618      -0.37248623       0.33847143      -1.01783338 
O       1.23395608       3.37612662       6.39179521       0.50002910      -0.10081200      -0.12395296 
O       0.70497550       9.01683780       6.31581332      -0.07285898      -2.58043999       0.47567073 
O       6.86157290       1.01954101       3.79801516      -1.57368075       0.05801290      -0.38411671 
O       6.86833354       9.14667708       9.42301218      -2.17307954       4.38773192      -1.84875641 
O       9.26590531       1.01678746       6.61957918      -1.27049918       1.21480977      -1.13732831 
O       4.55464638       4.39217244       8.65726951      -1.18510683      -0.07331287       2.08101892 
O       2.13128066       8.86167450       9.09447293      -0.10958873      -1.85875955      -0.06520099 
O       1.60864636       4.22049881       0.58324605      -5.82130026       5.86071321       1.72524107 
O       3.22626089       8.83979522       6.28736922       3.24147558       0.58408287      -0.50451439 
O      10.00848712       8.59210046       9.22002578      -1.41873195       3.46824803       4.05896282 
O       1.15702522       5.91978738       8.71705286      -1.77766308       1.05655852       4.71376571 
O       1.28237660       9.17867675       3.65009929      -0.52028584      -1.22866310       0.85759232 
O       3.92897726       6.62828915       3.92407206      -2.99927912       1.63470187      -2.42566109 
O       4.36814005       8.97922646       0.80290867      -0.08216653      -2.56825047      -1.06696511 
O       3.99089770       9.15878166       3.40787678       0.32596089      -0.97985616       1.53747793 
O       1.96629766       3.09651800       8.71107572      -1.77161850       1.61803648       0.10284170 
O       9.06375652       4.06484779       1.14608700       2.88869965       0.64004223      -1.64600516 
O       6.20922397       1.20895537       6.31004487       1.69875544      -3.06940538      -1.09007737 
O       6.84201607       4.12584815       9.11601970       0.66945373       0.58602074       1.48430841 
O       3.82978960       1.38036524       6.55587655       0.46632226      -0.00463606      -2.17021195 
O       4.00368897       3.90122864       6.43960900      -1.17450938      -1.44457843      -1.13414497 
O       9.50800463       3.79258969       9.05046978       0.39814420       0.40021145       1.23122724 
O       8.83521804       6.44104182       6.91810869      -2.57130303      -0.87443204      -4.78260009 
O       9.41902665       3.62740019       6.49987066      -2.96166722       1.14051611      -0.56433178 
O       6.95991708       1.77074592       8.45134169      -2.40719762      -1.57264782       2.26481624 
O       6.48364836       1.20970705       1.06493543      -2.68116430      -3.80519278      -1.76488553 
O       8.54190414       1.81714740       1.57875343       3.94065935      -2.17818050       2.92958764 
O       7.07306947       8.27721562       1.90644973       2.30026908       1.74122648      -3.81431905 
O       8.54649075       9.13892571       6.65596827      -1.10292644      -0.81184989      -0.37966164 
O       0.85947848       6.26309915       6.51887801       2.04616903       0.40467026      -2.84314195 
O       6.33079390       6.55599597       6.02073315       1.07827122      -0.12220297      -1.28602320 
O       8.98999095       6.38712980       9.06545665      -0.75854097      -1.58493288       5.10430159 
O       6.59403087       3.47254083       6.50442105       4.30264700       3.43971240      -2.07555975 
O       5.98024455       9.11626094       6.37184412       1.96670100      -2.63317765       2.07860890 
O       6.26111350       6.88702743       8.69127409       0.02043736      -0.68590337       0.49233305 
O       3.67049791       6.55450286       8.90091197      -0.17527317       2.23941475       1.94323766 
O       6.87884789       6.32956454       0.42282046       4.33220378       0.23894924       4.68506992 
O       9.22273579       6.74571793       1.56047452      -1.58717590      -1.66307199      -2.78602396 
O       9.11438707       1.12721016       3.74503306       2.33961590       0.73108286       1.25239038 
O       9.16941354       9.00144819       4.14533077      -0.33807355       0.38305969      -2.28775793 
O       8.93906545       9.56702950       0.75150791      -1.41758165      -0.13918588       3.38243467 
O       5.75449008       3.76182042       3.88965166       0.15312009      -2.19708823      -0.64800697 
O       6.23627125       6.17434766       3.13904573       0.05235163       2.02266445       0.63035940 
O       6.59933828       9.12826735       3.78484711      -2.64576279      -0.35642250       2.31590468 
O       8.91593704       1.20402809       9.18275198       1.88054561      -1.92477356       1.87736239 
O       8.97929554       6.52019445       4.15488087      -2.11956693       2.85792998      -0.72944477 
O       8.40591524       4.25913008       3.85492816       0.25847586      -3.31478579       1.85234284 
O       4.10421954       5.98346280       1.21619505      -2.01288051       2.77953279       1.30338696 
O       4.14496770      10.39120706       8.11974756       4.35648733      -5.52930911       1.97352151 
O       3.74211550       1.60364100       9.22026483       0.67359802       3.36343683       3.85030993 
O       3.91970253       6.22381573       6.34296222      -2.46272784       0.58820559       0.02884507 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.026455616478060648 -0.004518343749383464 -0.007634467711738565 -0.004518343749383464 -0.04050034135911915 0.0021132595408297696 -0.007634467711738565 0.0021132595408297696 -0.019480339473694062" pbc="T T T" energy=-921.67719368 free_energy=-921.67858969 config_type=crystal 
Hf       0.08958324      10.08908534      10.43519838       1.40777666      -1.98256650      -5.30593826 
Hf       5.21644880       2.58346687       2.50578296       2.11743048      -2.37845347       1.01042421 
Hf       0.10952617       2.65907522       7.57339737      -0.61615016      -2.10187464       1.11542825 
Hf      10.39886235       0.02357355       5.30888743       2.61787182      -0.04106642      -1.85934757 
Hf       7.46876447       5.13059215       7.51593207      -1.69551315      -1.72415274      -0.46733805 
Hf       7.79744732       7.87077079       5.44033390      -1.20518776      -4.14342832      -7.73207367 
Hf       7.43736001       2.81821128      10.36723601       2.24833932      -2.02418273      -2.02526623 
Hf       7.88320516      10.46039963       2.42915719      -2.69180588      -0.07215086       0.96710221 
Hf       2.80086564       2.77865239       5.05724356      -2.19741989       0.83450018       0.38351300 
Hf       5.23341671       2.38349860       7.50168360       5.96097926       4.69202005       1.32566884 
Hf       4.97612475      10.25347982       4.97326633       1.68203509       1.10985762      -1.23877460 
Hf       2.62328280       2.60312281       0.33823378       0.85573332      -3.68737917      -2.91914042 
Hf       2.18551504      10.43642680       2.62902634       3.72619686       1.67879260       0.89077973 
Hf      10.21133997       2.50825728       2.20569869       0.56812058       0.04280149       0.28368639 
Hf       2.75144644      10.28947518       7.51568204      -1.54781542      -0.70291380       2.49826725 
Hf       7.94346483      10.18335649       7.64776768      -5.38834045       3.35833673      -0.13408649 
Hf       2.51078089       4.90564484       7.89571122      -0.17984306       0.17705581      -2.89275204 
Hf       4.93974393       5.16828031       4.98465041       1.47284013       0.40310780       1.40137886 
Hf       9.98751013       4.76518111       4.90530783       5.27935653       1.28707497       3.59901687 
Hf       2.36687629       7.52310780       5.18843068       2.72514045      -0.53986990      -1.34298732 
Hf       4.97358335       5.05338959      10.23243847       1.43685552       2.29105167      -0.03866914 
Hf       5.01722175       7.60767051       2.10852212       1.51798971      -1.60494969       2.43597903 
Hf       4.71436645       7.58761183       7.92726682       2.24842125      -0.58967871      -1.95041856 
Hf       7.80887724       7.91028624       9.87099778      -0.35321219      -1.04595590       3.67688630 
Hf       7.64609434       5.36721221       2.65480291      -1.32335878      -1.42894455      -2.28367605 
Hf       2.08071656       5.04086396       2.55352390       4.62994415       2.92106266       4.82051488 
Hf      10.28434109       7.78230136       2.65275300      -0.60733668      -3.01559107      -1.98412002 
Hf      10.20816055       5.65423896       0.19884712       5.15404497       5.34689893      -5.25387323 
Hf       7.97831675       2.42056988       4.94559673      -4.32890502       1.02805988       2.95789195 
Hf       0.16442976       7.46406891       7.46103424       1.59716774      -0.62413168       2.59326524 
Hf       5.15088664       0.35585541      10.43461887      -0.78663883      -1.42099435      -2.89013955 
Hf       2.57294551       7.71744326      10.42533148      -3.41757159      -3.72957398      -2.61456825 
O       1.39716067       8.94267807       0.76596853      -1.41540042       6.43863727       4.22352545 
O       1.12109664       6.71697774       1.38330352      -0.26222776      -3.44389984       0.57415675 
O       1.40299170       1.40651609       5.71306381      -2.08093252      -2.03375300       2.01499899 
O       1.11899346       1.66834807       3.47191579      -0.23051510      -4.49877385      -4.17593784 
O       3.58350129       3.54739750       2.36294864      -0.96168945       0.36430070      -2.04320015 
O       1.27807645       0.55105422       8.40780501      -4.05031099      -1.25759488      -0.04449593 
O       2.95651520       4.66841533       4.50760667       0.67973907       0.63298499      -2.09516843 
O       6.47758466       3.69663002       1.42977125       0.89041593       0.10159319      -0.62535381 
O       3.63737500       1.32264195       3.86171559       1.80488427       0.60577641       1.58063189 
O       0.94724490       3.71940385       3.82926954      -1.88253104       2.46808251      -1.64455773 
O       0.79505839       1.29811766       0.57051507       1.53929836       2.58764652       3.44815711 
O       1.79186190       6.71991655       3.50434521      -2.09047284       2.97782065       1.85386088 
O       3.74447699       0.78130790       1.42376721      -2.26249582       1.37824245       0.32568201 
O       1.40416224       3.96398764       6.37338213      -0.18321312      -0.37289138       2.10103535 
O       1.46747616       9.12378865       6.26986921      -1.59145970      -0.23973048      -2.55731314 
O       6.50343712       1.58162619       3.91968767      -0.29865264      -2.04828199      -0.35084431 
O       6.36385590       9.34700015       9.41841825       1.77472876       1.27883056      -1.98344007 
O       9.21249577       1.10338898       6.53747969      -0.99233994      -1.69070810       0.31870114 
O       4.03896446       4.05595288       8.76337909      -1.53332585      -1.02620348       0.61823350 
O       2.04268124       8.39463979       8.33712258      -0.25079935      -2.34714407       0.85597515 
O       1.56908454       3.94097895       1.17069837      -5.18148202      -2.27932965      -4.23305130 
O       4.44497086       9.08181929       6.47606173      -2.65615902       0.00792461       1.44449888 
O      10.45358812       7.62379233      10.21959466      -2.41631323       1.99073900      -4.18081215 
O       0.76588752       5.59322760       8.67633160       1.15322955       0.32727042      -0.55243784 
O       0.83222230       9.23420779       3.37133498      -0.05576704       1.47277812       2.11232175 
O       4.29643141       6.58467388       3.89385436      -0.67958587       3.47122585      -2.03440035 
O       3.71744572       8.57557977       1.07111907       3.37692797       2.41371057       2.53012791 
O       3.46263300       9.38664423       4.00896477      -2.63387146      -1.28231221      -1.01035290 
O       1.42772930       2.62152322       8.96176434       3.52722262       4.36812931       2.65273759 
O       9.16224252       4.36785987       0.77194766      -4.47637318      -7.73692312       3.56746938 
O       6.14529516       0.87928744       6.56605221       0.75250526      -1.98052953      -1.86425840 
O       6.70463767       4.02473786       8.98307059      -1.31476569       2.13797678       1.76373047 
O       3.63873917       1.59259613       7.30710993      -4.14394767      -2.32427999      -1.92832910 
O       4.14479239       3.84794542       6.19749178      -0.81193066      -3.71335764       2.31774895 
O       9.10803702       2.66284420       9.02077801       0.74959468      -0.00817496      -0.52105329 
O       8.66280728       5.88864991       6.12940203      -1.29463932       4.20602559      -0.80238228 
O       9.23143886       3.73650091       6.38280893      -0.76588722      -2.73424717       0.47226233 
O       6.69171673       1.62475436       8.77422511       0.84751536      -3.10209916       1.94442850 
O       6.33251434       0.80492425       1.39073400       0.73505261       1.12515871       1.82758657 
O       8.58760627       1.68633393       1.30103051       1.51985838       0.62530208       1.33572896 
O       6.57728767       8.61189686       1.41261820       1.25676582      -0.03570944      -0.03004325 
O       9.48124769       8.46902130       6.06197134       1.19948046       3.13547302       2.26375697 
O       0.62902459       6.46159639       5.73805877       1.26483990       1.56766956       1.92821876 
O       5.49595474       5.84794843       7.19272891       4.36720186       0.80310782      -0.61283179 
O       8.70252211       6.17051577       8.79604724      -0.40463433       1.74794091       0.53792658 
O       6.59530775       3.50875744       6.36771887       1.78780622       0.28905867      -0.31493895 
O       6.71110830       8.63847274       6.66681827       0.99931081       1.78184619       4.12820193 
O       6.10256805       6.99834761       9.45332104      -0.27449614      -1.73223332      -0.91433759 
O       3.66158971       6.53774951       9.16019460      -0.24751913      -1.76601712      -1.02972460 
O       5.90275971       5.91373457       1.27796059       1.40366794       1.87910144       2.37649266 
O       8.86608726       6.63116034       1.29406954      -2.92730655       2.70395267       0.65766946 
O       9.03311954       1.11675306       3.88810036       2.12145997      -0.35813711      -0.61061679 
O       8.76977938       9.09211971       3.73140209       0.05796871      -2.00756807       0.85787348 
O       9.13789050       9.74096267       1.14243607      -0.45084449      -1.85228197       0.82296514 
O       6.04869716       3.94741922       3.85645235      -1.27572155      -0.87684390      -1.34418843 
O       6.80477733       6.12032919       4.17379779       1.27456063       3.22166986       1.34641193 
O       6.09461489       8.97469973       4.05314501       0.82888188       0.15458370      -0.00684157 
O       9.13781263       9.31774848       8.86939803      -0.04878759       0.07810314      -0.45303729 
O       9.53347706       5.86743702       3.42887982       0.27547066       4.91621538      -1.80921480 
O       8.66928963       3.85811271       3.75402279      -1.10472953      -3.20859214      -1.69057137 
O       3.42333253       6.03468396       0.92290365       0.56740477      -1.58517804       1.08311319 
O       3.42382182      10.23567985       9.57030364       0.95226698      -0.61754258      -2.25669970 
O       4.89737298       2.39726239      10.30661013      -1.64591628       0.92603394       0.88141348 
O       3.53805914       6.38405629       6.52208642      -3.74923507       1.57058488      -0.01975365 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02326403687090926 0.016072805648070034 -0.003676245835530295 0.016072805648070034 -0.02465688458259645 0.000930919301053878 -0.003676245835530295 0.000930919301053878 -0.021280767574161325" pbc="T T T" energy=-930.21346143 free_energy=-930.22892122 config_type=crystal 
Hf      10.22964703       0.35115483      10.40556365      -0.42136680      -2.87137044      -2.45281590 
Hf       5.03087344       2.70622859       2.43045782       0.35614233      -2.63962165      -3.06528960 
Hf      10.36051514       2.45652400       7.55904392       2.82407521      -2.66981234       1.28182054 
Hf       0.12538162       9.78321640       5.12679899       1.82219361       4.63801579      -1.21967226 
Hf       7.64417965       5.25090876       7.62741636      -2.99729319      -0.36619302       2.15831278 
Hf       7.32805520       7.41893950       5.43234442      -1.48288136      -0.61076678      -3.70673417 
Hf       7.57958426       2.38041599       0.00774174       1.15651012       0.24417141       0.64460393 
Hf       8.15787352      10.12729168       2.76815992       1.86468111      -0.26396745      -3.47301016 
Hf       2.42386862       2.53339301       5.34085005      -0.40739955       1.62126676      -0.99836478 
Hf       5.14697061       2.81891837       7.57527804      -3.70583304      -3.17185790      -1.72094986 
Hf       5.60110949      10.35870156       4.76657437       0.32864594      -1.85134489       2.36218177 
Hf       2.60101345       2.92669742       0.30358500       0.13226425      -5.95305758      -3.19803279 
Hf       2.57338854      10.40073402       2.61855846      -0.97419824      -1.08830298      -0.27069789 
Hf      10.40949214       2.46317883       2.62665585       4.01864872       2.88063498      -2.37241314 
Hf       2.53786563       0.19673819       7.88842696       1.27459796       3.65241249      -3.09932598 
Hf       8.07131093      10.13087132       7.50313285      -0.58408852       2.42094596       1.10079268 
Hf       2.02283712       5.27886618       7.66139823       1.33877882      -2.70141161       2.41439082 
Hf       4.86245408       4.83959548       4.82131898       1.79815079       0.83424356       3.14532911 
Hf      10.07476726       4.70188153       4.95073930       6.17486485       3.66409757       1.11371859 
Hf       2.57210853       7.53777765       5.42420590       2.64218189       3.63183932      -3.20683320 
Hf       5.05967821       5.25310635      10.36599032       0.64097124       0.06232469      -0.96372311 
Hf       5.25535763       7.98703321       2.31035253      -2.27140201      -0.55395407       2.21868380 
Hf       4.55869345       7.93734106       8.17646798       3.91046883      -5.34687054      -5.41336437 
Hf       7.83527310       7.82136562      10.06570447       0.43296480      -1.53912975       1.92108010 
Hf       7.32608619       5.19481841       2.53631904       4.68568181       2.19776963       0.23257114 
Hf       2.29015182       5.24622242       2.55067312      -2.06270344       1.07271042      -1.79450177 
Hf      10.12719842       7.49123990       2.09458082       0.99330253      -2.16515545       0.00809884 
Hf       9.99424534       5.11356919       9.94165938       0.27630298       0.15661090       2.38200669 
Hf       7.61325371       2.59568333       4.84450025      -0.37414254      -1.17784126       1.24353039 
Hf       0.11670713       7.95677145       7.81980731      -0.48435575      -0.84236107       1.22550087 
Hf       5.49552416      10.20383487       9.91811661      -1.56480965       5.30694824       4.80523051 
Hf       2.32814350       7.78353481       0.24562790       0.61922643      -0.64562993       2.21177273 
O       1.49648595       8.76363268       1.82567568      -0.61746855      -0.78480364      -0.84825388 
O       1.17847612       6.10483398       0.88329872       0.23888282       1.26444949      -0.07819576 
O       1.27988648       1.28716949       6.23026407      -1.87603799      -0.84150330       2.00556849 
O       1.31468094       1.17039203       3.57056946       2.54321790      -0.90853918       0.73824026 
O       3.92844201       4.02330284       1.40524518       2.17836497       1.04523224       0.07765396 
O       1.28297443       1.26715581       8.86814743      -1.23446267      -0.98521433       0.48083306 
O       3.96458578       3.13396271       4.07854417       0.93262285       0.44702899      -1.07681327 
O       6.72357867       3.89803906       1.13750178      -1.35593385      -0.95261764      -0.59868920 
O       3.99503876       0.07634664       3.96538215      -1.14993578       2.81678977      -2.31331040 
O       1.25987155       3.57735271       4.03305106      -3.69433586       1.62411722      -0.60296542 
O       1.14573491       1.05538450       1.02721085      -1.17917661       1.06706917       0.78407149 
O       0.58267638       6.05746197       3.35468472       0.38554339      -0.39009019       1.33621321 
O       3.48829947       1.27832210       1.43949341       1.19079236       2.44824414       0.80980417 
O       1.28886962       3.99885034       6.40892001      -2.35902301      -1.76156644       0.00695032 
O       1.22839131       9.16868970       6.61397317       0.88654356      -1.75420668       4.49263388 
O       7.03705915       1.03941486       3.60117901      -1.47121241       1.08460965      -0.60951685 
O       6.49888736       8.95454946       8.86926741      -0.95298502      -0.37757726      -0.90517280 
O       9.56806105       0.69415114       6.69142294      -2.14452668      -0.67977667      -1.95027872 
O       3.14221500       4.01130857       9.30524587       1.45704432       3.24184119      -0.57483554 
O       3.65207468       9.32818684       8.99150823      -0.79137045       2.00552059       2.75733557 
O       1.66713138       3.52920641       1.79234324      -2.81152717       0.63553277       0.09377359 
O       4.03075017       8.99985419       6.21475630      -1.75673946      -0.79640522       2.99129299 
O       0.88642738       8.77689838       9.61664735       0.50918062       1.16329230      -1.21560729 
O       0.85421524       6.36502131       8.87854842       1.05451339       0.49954234      -0.13522668 
O       1.97861753       9.15657790       4.46585543      -3.27701600       0.34620856      -0.68539607 
O       3.17264966       5.66806072       4.19463275       0.85922812       1.19447431       3.56455448 
O       4.07392178       9.10412946       1.29896406      -1.96115778       0.57706993      -2.91799703 
O       3.96017752       8.16717023       3.86675036       2.69520255      -1.95078100      -1.24210786 
O       0.71931534       3.83776589       9.10981303       0.03250080      -2.09027520      -1.94236154 
O       9.32671058       3.32293843       1.09088732       0.09288535       0.06765601      -0.73063040 
O       6.37956901       1.38177567       5.83396800       0.79304007      -1.52545350       3.08352461 
O       5.71616987       4.33092036       8.59699330       1.53210840      -0.83323189       0.81970521 
O       3.71338777       1.48679676       6.20668612       3.02564669      -2.77721043       3.29441694 
O       3.71551377       3.95597168       6.67971723       0.35883270       1.53438003      -1.17833449 
O       8.27657467       4.14655511       9.32347443      -0.33136766      -0.07862935      -2.64148686 
O       8.58696731       5.74170520       5.82851092      -2.47357723       2.58626527       2.18633551 
O       9.13163872       3.54003422       6.40957655      -1.71411479      -1.33994281       0.11855158 
O       9.26900770       1.27428110       8.87556179      -0.89909393       2.54634707       1.58729962 
O       5.74304749       1.80544158       0.76609612       1.71252362      -1.60837612      -1.84315166 
O       8.56030069       0.80488009       1.03291451      -0.14493683       1.18309362      -0.07510464 
O       6.35583439       9.73118724       1.27043487       1.51321440      -1.56195601      -1.60594776 
O       9.16078039       8.70118924       6.29116489      -1.63328473      -1.46226006       0.82289240 
O       0.70292203       6.41503719       6.35150086       0.76167462       1.27132007      -0.26665728 
O       5.68362825       6.30187998       6.42575217       2.75995513       0.13458012      -0.30411529 
O       8.99361466       6.67955270       8.90054869      -1.60246641      -0.16760309      -5.04459483 
O       6.14937583       3.61457334       5.89603612       1.71552356       1.62451520       2.42069681 
O       6.26413080       8.93664630       6.03792660       3.56103209       0.33629618       2.58393087 
O       6.19319833       6.56974562       9.00056600       1.80785334       0.68225329      -0.00492060 
O       3.82853020       6.63134089       9.74620582      -0.87072946       2.05544043      -1.67216529 
O       6.65608057       6.20223370       1.00141062      -3.42555340       3.66198439      -0.16397387 
O       9.00709827       6.30077559       0.63433346      -0.26979457       1.29811899       2.92284684 
O       9.56652555       1.19414988       3.61295118      -5.11998328      -3.76102176       3.15919358 
O       9.82099990       8.88185825       3.59977884      -1.76874331       1.18409211      -0.72812122 
O       9.10336753       8.81416601       0.94260586      -0.53129285       0.98460352       1.26068987 
O       6.49683106       3.71892104       3.62508727      -3.05344983      -0.34787074      -0.82754566 
O       6.33174026       6.30720183       3.95713123      -2.05991440      -1.04518442      -0.64624487 
O       6.80439594       8.94895423       3.57703715      -0.43484481      -1.10218901       1.29743481 
O       8.91010046       9.37994010       9.14083056       0.26856503      -1.47557049      -2.49817008 
O       8.60713746       6.73387427       3.09935015      -1.28342648      -0.79571115       1.14000314 
O       8.81467582       3.90820122       3.82102050       0.37637690      -0.99430617      -2.77048877 
O       3.66514591       6.64030226       1.67305786       0.67252008      -1.26812468       0.45900387 
O       3.72874503       1.65866872       8.92422909       2.22632988      -1.98111063      -0.83765641 
O       6.79491692       1.01977807       8.78662065      -1.22812372       0.50872218       0.25988072 
O       3.16326797       6.86217062       7.23399797      -0.58064085      -0.72692338       0.39632855 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0237569377656968 0.0012818781483495232 0.009160144386997662 0.0012818781483495232 -0.035863955861064084 -0.0105269772327463 0.009160144386997662 -0.0105269772327463 -0.02869158981176915" pbc="T T T" energy=-931.40038287 free_energy=-931.40042663 config_type=crystal 
Hf      10.32658571       0.31456771      10.40327783       0.10018390      -1.79307671      -0.64638805 
Hf       5.18400944       2.69290951       2.31562048      -2.56662698      -5.32683337      -1.35554114 
Hf       0.02594550       2.58106341       7.59068031      -1.90386353      -8.05450435      -4.45480585 
Hf       0.00696201       9.76675819       5.07812331      -1.46566248       3.83721331       2.52013129 
Hf       7.65561911       5.29398607       7.67404171      -5.35465668      -1.61349354       0.05577910 
Hf       7.36734919       7.37748455       5.39459106      -2.30531719      -0.27947832      -1.75970793 
Hf       7.65148674       2.46767427       0.20037739       0.42692203      -1.47628052      -2.85793184 
Hf       8.08672827      10.06461557       2.76791962       1.18963082      -0.55132010      -2.84560855 
Hf       2.34613709       2.62853872       5.35246000       3.62265395      -3.61363935      -1.63549104 
Hf       5.23826612       2.71265756       7.56904846      -2.63555949      -2.78341497       0.22801306 
Hf       5.58273911      10.35164786       4.77979402       0.28709991      -0.75290973       3.01748599 
Hf       2.48545163       2.77532707       0.20423690       2.82452025      -0.40239348      -3.17311116 
Hf       2.52841099      10.40059053       2.59630879       1.64740670      -1.28289115      -1.64749369 
Hf      10.44596350       2.57790199       2.55831355       0.55017949      -1.37621356      -1.44276970 
Hf       2.45761908       0.25289615       7.87808844       2.87581445       1.67874412      -0.51537185 
Hf       7.98496321      10.21988447       7.47636052      -3.41104057       0.22365185      -0.40243313 
Hf       1.98022095       5.29487570       7.72696416       0.83562685      -3.09454010       2.83407944 
Hf       4.97020936       4.82503280       4.83357144       0.01634994       1.35099392       4.83783574 
Hf      10.08237608       4.76517242       4.81939079      -0.77466516       2.20886360       2.75832374 
Hf       2.62098223       7.55538096       5.32871397       0.71875418       1.50403522       0.88260530 
Hf       5.07341635       5.16877411      10.39641577      -3.29029401       2.78379194      -2.08657182 
Hf       5.27906106       7.95152182       2.35613828      -1.48028465       3.60036926       0.30107891 
Hf       4.66556120       7.98689663       8.18337379      -0.17611612      -4.16350291      -1.67151926 
Hf       7.88581114       7.82758537      10.12097878      -3.08026991       0.21707405      -1.17016672 
Hf       7.26987736       5.18059411       2.48264010       3.77697820       2.42805535       1.13787799 
Hf       2.51384664       5.22124431       2.46213922      -3.65442638      -1.82391161       2.08488523 
Hf      10.13024314       7.44384821       2.07174923      -1.14600207      -1.92513293       1.54449296 
Hf       9.88834864       5.10775993       9.88075950      -1.19032490      -1.45779060       4.11089446 
Hf       7.59770135       2.50570876       4.94864983      -0.14179207       0.14666678       2.21926539 
Hf       0.11163835       7.90324626       7.93513729      -1.88441649       0.38218949      -3.69229777 
Hf       5.44177740      10.29938363       9.97885103      -2.00995044       3.51260601       2.00383223 
Hf       2.30313179       7.85855046       0.29429175       4.48230286      -0.81737375      -1.25149801 
O       1.31278897       9.00911060       1.48640397      -1.28218153       0.55525218       1.38328098 
O       0.76731763       6.08221391       1.03511116       2.61652403       1.78767906      -0.59759086 
O       1.21026908       1.02436237       6.32447504      -0.73682301       2.66149158      -0.27618574 
O       1.47633601       1.11284614       3.60990154      -1.75053997       1.66294337       0.70817490 
O       3.96210362       4.01249502       1.38596142       0.14621369       1.92446629      -0.46749534 
O       1.50855872       1.45163724       9.14755938      -0.15297850      -0.71383134      -1.20301217 
O       3.99790880       3.17587953       4.02628905      -2.78569441      -0.31027130      -0.77243519 
O       6.53729318       3.69822968       1.31666261       0.22047690       3.03354602      -1.77354818 
O       3.90450477      10.46553100       3.91065104       0.43774035       1.56817802      -0.23712083 
O       1.13756751       3.63265621       3.80326720      -0.64486373      -1.35989054       3.24711839 
O       1.10538122       1.55384910       0.88802578      -2.87859463      -2.88112079       2.97279631 
O       0.52324616       5.84929480       3.65697663       3.10287567       3.48126412      -2.61745295 
O       3.68395399       1.70322888       1.42696213      -2.33495890      -2.69372456       1.17313183 
O       1.40956155       3.84642249       6.47111404      -2.22831705      -0.58898597      -0.32544832 
O       1.42731976       9.18722157       7.10450450      -2.27463319      -1.17314697      -2.73191419 
O       6.73161577       1.10888342       3.55447621      -0.36011450       0.00814286       0.10700918 
O       6.27959608       9.13371626       8.56497311      -0.21605678      -0.02791873       1.34236322 
O       9.15721016       0.86453669       6.48721147      -0.14041235       0.02407301      -1.38117972 
O       3.21096035       4.28688372       9.21067308      -2.07238287      -0.51460318       1.40809829 
O       3.50094652       9.40532347       9.16308107       1.85897626      -0.22852413      -0.58077297 
O       1.24073567       3.76178536       1.53747934       2.04753154       1.19621878      -1.42125177 
O       3.96482200       8.46885457       6.49579512       0.44940502       3.40272709      -3.12422852 
O       1.20195285       8.61712064       9.33698975      -1.46900661       1.65059610       2.78602152 
O       0.55038533       6.29896514       8.89344350       2.30182539      -1.31536726       0.56291962 
O       1.54299733       9.00543069       4.37772019       2.59786125      -0.99944933      -0.63847137 
O       3.47419700       6.07660591       4.33787055      -1.43086794      -4.15464960      -0.57820258 
O       3.92713709       9.12214179       1.12958567      -0.09485421      -0.28255281       0.01749059 
O       3.89230191       8.07833532       3.59281463      -0.61779135       1.41186324       1.91323444 
O       0.49103381       3.76030377       8.81703992       1.10449537       4.46099064       4.91081445 
O       9.19549489       3.42095984       1.20144315       0.20309872       1.40137269      -1.23586016 
O       6.33035495       1.15992122       6.25391653       0.86198238       1.84299338      -0.81293433 
O       5.60169612       4.05849816       8.97011794       2.05327129      -0.73811260      -0.89918044 
O       3.66996162       1.27263309       6.50776625       0.15167986       0.59883111       0.19114550 
O       3.94889025       3.87336154       6.38307310      -0.93579523       0.09004447       0.72766704 
O       8.12703266       4.06705532       9.35052223       1.75458338       0.62671921      -1.13106611 
O       8.19543326       5.65301776       5.83133742       2.87297954       0.49348598      -1.51491991 
O       9.14757811       3.49233252       6.44818825      -0.47041770      -0.36772668      -0.79327904 
O       9.58168731       1.11574622       8.86709840      -1.39801256       1.99494665      -0.10594399 
O       6.11727756       1.39055064       0.80480431      -0.62337139       0.37410739       2.35008901 
O       8.80181893       1.02971991       1.07652047       0.78287130      -1.75102767       1.18796493 
O       6.56279481       9.34824992       1.07701782       0.37761407      -1.06893634      -0.49987485 
O       8.78286799       8.41329077       6.46699768       3.52621357       2.22628387      -0.50857072 
O       0.72693201       6.29020807       6.28436992      -0.95284664       0.84755353      -0.53318024 
O       5.71981284       6.39798597       6.52389310       1.83894694       0.80198484      -0.73334188 
O       8.75199071       6.78179984       8.15538162       2.41316129      -0.03891744       2.74996979 
O       6.45889758       4.01350825       6.19919546       0.92113541      -3.30624982       0.33260845 
O       6.56952186       9.09715228       5.95918310      -0.47152317       1.49486968       2.29768408 
O       6.58377326       6.59631051       8.96425278      -1.54268615      -0.69136203       2.23891272 
O       3.78332616       6.64667481       9.45426174       0.99736804       0.81343670       2.48899253 
O       6.05771861       6.63004894       1.29512328       2.82626382      -5.00737941      -2.94338317 
O       8.78191619       6.29634420       0.71390808      -0.74816941      -0.04980995      -1.20075505 
O       9.25123745       0.72866658       3.95626567      -0.12592320       1.67246260      -0.25120087 
O       9.81719178       8.89652234       3.47277287      -2.41684762       0.08200152      -0.42090029 
O       9.06401639       8.76358245       0.99828636       0.95455387       1.51242698       1.22979469 
O       6.11629845       3.67171523       3.72911219       4.87856113       0.82438733       0.14276658 
O       6.31291941       6.22401794       3.79949372      -1.91848980       0.06741104       0.77586919 
O       6.89291477       8.74946846       3.73852821      -0.70169364       1.05186652      -2.10446039 
O       8.73370113       9.34087491       9.07393730       2.41121366      -1.63958574       0.42107012 
O       8.72764916       6.51454594       3.18592782      -1.43930968      -0.75397166       0.31823782 
O       8.67570446       3.67850884       3.56951279       1.02819364      -0.36209060       1.63166323 
O       3.58607754       6.45735413       1.62397013      -0.01365200       2.12023062      -1.46276414 
O       4.06865142       1.62462678       9.15040723       0.22540726      -0.57245493      -0.59799926 
O       6.55141973       1.18165711       9.00503213       2.87664359       0.94867135      -2.16607438 
O       2.83868212       6.80964181       7.29533106       1.43385216       1.44764205      -0.87646344 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.033559598000595166 0.017951929828834014 0.002509854062152097 0.017951929828834014 -0.04046488015636385 0.00038019181661497886 0.002509854062152097 0.00038019181661497886 -0.03149183160893119" pbc="T T T" energy=-926.86206019 free_energy=-926.86419014 config_type=crystal 
Hf      10.02380388      10.20903144      10.05039598      -0.48362528       3.21782235      -0.16401699 
Hf       5.12442044       2.54394241       2.44088582      -1.79026918       0.55502248      -2.73207558 
Hf      10.37224670       2.88954178       7.98976667      -2.17093174      -1.83956202       0.65535975 
Hf       0.08802932       0.04208888       5.51665155      -3.58693989       0.72734492       0.00494620 
Hf       7.75190354       5.28391204       8.00676294      -3.54667722      -3.72784569      -2.00869328 
Hf       8.27610474       7.40253258       5.41696685      -4.30422464       2.53740211      -1.91854851 
Hf       7.61548050       2.47664872      10.43629116      -0.29603454      -0.16753281      -0.73718701 
Hf       8.26412816      10.10145084       2.33305068      -1.74520159       1.05905188       0.77800138 
Hf       2.43750691       2.24618091       4.94948042       1.16339907       4.34786869       0.37957921 
Hf       5.08767634       2.54980202       7.83366257       2.55310801       2.01820258      -2.71948280 
Hf       5.03195910      10.27639735       5.06125588       5.36852628       1.69064726      -2.79675442 
Hf       2.18049085       2.54334385      10.31981617       0.73189231      -1.65042042       2.37664505 
Hf       2.61496029      10.43700652       2.07758016      -2.06227994      -0.55123451       0.47118138 
Hf       0.03016505       2.44455088       2.68183983      -6.80910039      -3.42716620       1.74757441 
Hf       2.63371792      10.01027213       7.45149074      -0.42790014       5.27227519       1.26080306 
Hf       7.23271168      10.17518752       7.59630715       1.15709667       2.65652942       3.16535008 
Hf       2.50952358       5.47537641       7.43405803      -1.05177568       0.24111787       1.71883272 
Hf       5.25257530       5.23319985       5.19515846       1.39348993      -2.01724403      -1.79558525 
Hf       0.05979539       5.17255774       5.05857768       0.67723081      -2.58671696       0.93454438 
Hf       2.65503443       7.60667748       4.50074178       1.33282479       1.83935910       1.37696106 
Hf       4.93385449       4.86942237      10.06724164      -0.04468988       3.11023870       2.83143200 
Hf       5.41428614       7.93880664       2.39751755       2.71933142      -2.52948825      -4.24198053 
Hf       5.09186543       7.77211629       7.28958564       1.76089729      -1.07316372       2.37883204 
Hf       7.17429333       7.71653783      10.16540319       1.36748303       1.68682877       1.81942986 
Hf       7.42422357       5.07336067       2.67206827      -0.02842316       2.56026815      -2.16886620 
Hf       2.57700346       4.93384874       2.58785932       1.70826257      -0.77309553      -1.39727092 
Hf       0.02896939       7.84773102       2.83714149       0.74947114       0.67701905      -4.93380843 
Hf      10.19763940       5.02692465       0.04826195      -0.12200473       1.81918241       0.93116500 
Hf       7.72861499       2.42633236       5.18961702       1.16374616       0.03549179      -0.18717640 
Hf      10.06205187       7.86969780       7.98713065       0.89903598      -0.75556297       2.34209332 
Hf       4.97704766       0.07870959      10.25880607       2.37977420       1.50455974      -2.55539116 
Hf       2.40914540       7.71163002       0.04837237       0.02427963      -3.28698467      -1.25452572 
O       1.20290088       8.79568720       1.46559172       1.00078557      -0.17592384       0.81560564 
O       1.51399266       6.55213656       3.12198928      -1.53094844       0.51012818       3.76922361 
O       3.60803845       0.96557456       5.64746764      -0.05058360      -3.33513729       2.88681282 
O       0.92532836       1.30051180       4.21593859      -0.92842186      -0.84634937      -0.82600899 
O       1.04609952       3.55144530       1.69639739       2.92514149       6.20581251      -3.90269956 
O       1.29172605       0.90753603       9.44500784       0.87219435       1.78850167      -0.43960746 
O       4.05795014       3.87230927       3.62925941       2.47223499      -0.65186899       1.14072345 
O       3.91056386       3.95110416       1.15204174      -1.91776379      -0.09203949      -0.33720062 
O       3.36735060       1.61100439       3.20002003      -1.62152223      -1.88545075       0.45492474 
O       1.58263011       3.99962243       4.18784594      -0.78308870       1.54248454      -0.08053066 
O       1.30091967       1.45157518       1.59028508       3.69747979      -3.48773374      -1.52433350 
O       4.15608479       6.76870285       0.98465089      -4.13741554       1.28520293       1.96588353 
O       3.71779268       1.11728464       0.93993091       2.16526162       2.90279094      -1.07659169 
O       8.63275380       1.29693267       3.49062548      -0.65586120      -0.68093871       2.91248973 
O       1.14917672       9.29355471       6.41608454       2.68229540      -1.51302012       2.37672209 
O       5.60989932       1.58660737       3.94784185       3.34766580      -1.34122473       3.00529079 
O       6.13862055       8.99590090       8.80702304      -2.58576258      -1.32014007      -1.37467878 
O       1.16713285       1.41256137       6.86222787      -0.79341913       0.58802886      -1.37837543 
O       3.53999591       6.08970478       9.26404892      -1.10100848      -1.55885809      -2.24947039 
O       0.81038593       8.87695180       9.57011567       0.26944244      -0.31801227      -2.51687988 
O       8.75700622       2.71330290       1.44563979       3.46461856       2.30805028       2.36432042 
O       4.28151938       8.63085648       5.56862847      -3.67588114      -2.36315965       3.39733353 
O       8.57196024       9.18393717       9.01504619       1.61590832      -0.70727655      -0.94827353 
O       1.28850330       5.89803192       1.06231878      -0.30480818       1.22289432      -2.75646665 
O       1.52474093       9.08664233       3.98737028      -1.84183323       1.56886312      -1.45871597 
O       3.71626022       6.07720929       4.12031697       0.98338426      -0.51160202      -1.45812386 
O       3.45199788       9.39047486       0.23009072      -1.74151073      -0.80018165       1.43629189 
O       4.10712663       8.82020951       3.32786247      -4.51129374       3.73264621       0.01221305 
O       1.16184993       4.05869366       9.44856321       0.82367688      -3.04606000      -1.13800095 
O       6.50579494       3.97509133       1.39257103      -2.26300771      -2.27682738       0.44731719 
O       5.99059520       1.02488610       6.56758038       1.00441451       1.02449745      -0.98604781 
O       6.37674094       3.69774562       9.20931854       0.98732149      -0.17193787       0.63289743 
O       3.23475400       3.77502877       6.51444955       0.01457869      -1.75261391       0.05110610 
O       0.61591274       4.54577575       7.08968404      -0.22451721      -0.44009096      -2.62812922 
O       8.97849718       4.03444536       9.04275504       1.12638424       1.64975001       1.26511463 
O       8.22534618       3.34013587       6.92965647       1.46239879      -0.64306534      -1.43931465 
O       5.86422672       4.41515893       7.10240173      -0.29222568      -2.49420631      -1.68290758 
O       6.77508598       0.82054181       9.36789382      -1.25359478       1.64763996      -1.88007605 
O       6.76354657       1.18387364       1.29195798      -2.06151108      -0.72577132       1.32732658 
O       9.27743372       1.79764133       9.57087290       2.04124318      -1.94794533      -1.98038640 
O       5.95996681       9.16081179       0.61559708       1.86206597      -2.20585263       4.39987213 
O       9.42110063       8.85504877       6.28709972      -2.19282258      -3.20005192       0.27849905 
O       1.05854613       6.80957975       8.75195261       0.50601793      -2.24201243      -0.76079275 
O       8.68078361       6.53331582       9.17025774       2.61847445       2.13402779       0.61968201 
O       8.67491050       5.36775080       1.18674243       1.80378841       0.66689199       0.76289382 
O       9.20800828       6.14531515       6.62359872       0.20299807       0.72268094       0.06873316 
O       6.46734066       8.99435818       6.31489051      -0.02007326      -1.01197138      -1.91368947 
O       6.20099460       6.59824153       9.00271764      -1.60926171      -3.57032531      -3.82252391 
O       4.25554614       5.95947165       6.61202865      -2.52752105       4.40710710       2.14902092 
O       6.26325960       6.44364414       0.92570881       3.07182654       0.00956655       1.33961291 
O       8.92732175       6.15382815       3.97307586       2.94853920       1.03869165       0.18451912 
O       9.81493893       0.43620118       1.31901939      -2.30489692      -1.18627416       2.40614125 
O       9.44460678       9.06085204       3.81826778      -1.71531022       1.49998774       1.22065870 
O       8.86795527       8.35506541       1.19640242      -0.12006315       0.71188091       1.11263079 
O       7.19603330       4.22949305       4.51501726      -1.89098806      -1.28870855      -0.07302090 
O       6.30287113       6.63201114       3.55334157       0.57308385      -3.82813346       1.68998141 
O       6.63181113       8.96137594       3.69582789       1.34425890       2.88075000      -0.94128893 
O       8.79552602       0.57665141       6.89708063       2.87090678       2.49932175      -2.92457648 
O       1.68269493       6.86999882       6.00624542      -1.33062659      -2.67302187       1.02443823 
O       9.69434779       3.43396650       4.43229462      -0.93663229       1.13489953       1.26316082 
O       3.37162092       8.54504432       8.28595165       1.14261847      -1.87196079      -0.08864113 
O       4.03112800       0.95036812       8.31990641      -1.17487675      -3.42271515       0.66888576 
O       4.02868937       3.13192453       9.25718812      -3.48561727       1.41431988       2.54186729 
O       6.53843013       6.51311971       6.31554695       2.92359002       1.37227117      -0.93892149 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.038175568165174915 0.014134838067161492 0.004980237819233568 0.014134838067161492 -0.035574953173102754 -0.01250407950653826 0.004980237819233568 -0.01250407950653826 -0.04241114178539885" pbc="T T T" energy=-926.99992627 free_energy=-927.00182369 config_type=crystal 
Hf      10.13011839      10.37371344      10.14559727       0.76392010      -0.01813150      -0.09403343 
Hf       5.02075901       2.43191263       2.43887600       2.39710646       0.67118027       1.93952335 
Hf       0.05676930       2.54221612       8.06200145      -4.49805253       1.13328223      -2.89880152 
Hf       0.21124392       0.05380841       5.63487983      -1.29456789      -0.89874645      -3.87545066 
Hf       7.74486764       5.11693439       7.99766373      -0.87737535      -2.59977338       0.46117486 
Hf       8.14803414       7.45063785       5.30382807       0.76444848       1.73786114      -1.60625729 
Hf       7.42285228       2.17790214      10.38246967       2.34115971       4.25228322       1.20227514 
Hf       8.11354623       9.93920433       2.18430766      -0.36129472       0.88993518       3.08373198 
Hf       2.40203026       2.24663085       4.97277327       4.44958187      -0.27430976       1.72375473 
Hf       5.28461411       2.56268256       7.92783367      -3.83979392       2.52335452      -1.28913372 
Hf       5.17496916      10.37048587       5.00891054      -2.00249253       0.92901831       2.86126118 
Hf       2.35137940       2.39856020      10.34919961       2.03084386       6.92241499      -4.39664698 
Hf       2.57696024      10.37593133       1.78914330       0.19216696       0.11109205       4.61488919 
Hf      10.23182515       2.21938963       2.80342892      -1.17022763      -1.27170134       0.25794660 
Hf       2.56459788      10.09934305       7.82657423       0.62338545       2.55254502       0.18592168 
Hf       7.38155109      10.39980630       7.53853844       1.59634446       1.15965642      -0.63816596 
Hf       2.43481815       5.38746263       7.43862537       0.64308754      -4.71164778      -0.05161738 
Hf       5.17857623       5.38189074       4.91167337       0.05424178       0.82195589       3.95424211 
Hf      10.42687807       5.15060185       5.06181237       3.10198907      -1.61964247       1.60884815 
Hf       2.68685932       7.69435095       4.65087921       0.31983946       1.77633588       3.57168145 
Hf       4.69494254       4.95505451      10.10485131       4.12571214      -1.70337778       2.50652232 
Hf       5.37590387       7.91887606       2.37005194      -1.36022035       1.83211528       1.65120217 
Hf       5.13251333       7.70391047       7.41071243      -1.43294606      -0.20175755      -0.82858333 
Hf       7.17018503       7.82489984      10.08150550      -0.01037057      -1.18861531       1.58599036 
Hf       7.47896221       5.23452466       2.78588945      -0.06310450      -0.15634131      -0.96603062 
Hf       2.44638288       5.05940535       2.54776299      -0.16858407       0.40363052       0.32333307 
Hf       0.14448955       7.89322644       2.91520762      -3.29139320      -4.08778423      -5.26680348 
Hf      10.20492074       5.13008308       0.05926360       1.15824828      -1.13817886      -0.79653046 
Hf       7.77056436       2.33901683       5.34322400      -0.18870804       0.85281467      -0.69015101 
Hf      10.22606277       7.96549116       7.78142754       0.16884900      -0.80081584       0.41549147 
Hf       5.08795003       0.06199402      10.17641834       2.90716237      -1.45662469      -0.23324450 
Hf       2.52333959       7.85536946      10.41501139      -1.74481846      -3.72437986      -1.02657805 
O       1.26073501       8.78080688       1.43296460       2.81006410       2.78984508      -0.91499887 
O       1.13652665       6.25683105       3.81582015       1.68393058       1.29226315      -3.46880907 
O       3.23485008      10.30879599       6.05551987      -0.42397458       3.45149565      -1.47557807 
O       1.17983348       1.08898100       3.95141292      -3.43849711      -2.26954589      -2.41339720 
O       1.02799173       3.90914349       1.41891393      -0.43431282      -0.08998453       0.70194122 
O       1.49979558       1.41935979       8.66211986       2.30701307      -3.08024586       1.51302013 
O       4.73195856       3.96152651       3.77693257      -3.92295475      -2.04042710      -2.49855981 
O       3.54813034       4.23861853       1.14496764       0.50193171      -1.66041186       0.22843259 
O       3.35809231       1.42259071       3.21804199       1.76944684      -0.21925724      -0.53677535 
O       1.60732877       3.70880242       4.13521488      -1.54449878       3.78091037      -2.60683764 
O       1.23188692       1.25242076       0.72676403      -0.62413054      -3.39606573       2.05581625 
O       3.72565761       6.87671561       1.73048350      -1.13987196       0.27597042      -3.92299092 
O       4.13558078       1.54216778       0.75385506      -6.01390152       0.71685752       0.08010393 
O       8.85784209       1.09236923       3.87762003       0.45093809       0.41455300      -1.49910684 
O       1.08987963       8.91701558       6.71726451       0.81357746       1.38477176      -0.24840369 
O       6.21007089       1.56825028       4.11801504      -1.29767053       0.99615475      -1.54410426 
O       6.17037752       9.18100140       8.93175722       0.79830561      -1.26852251      -0.47032449 
O       0.99572988       1.73823518       6.18593594      -1.93083738      -2.02173278       2.72677653 
O       3.82498279       6.03501124       8.97547203      -3.31347899       4.30485095      -2.00729420 
O       1.13119527       9.33520997       9.10118951      -1.71857414      -1.58881356       2.62496339 
O       8.86038705       2.45013062       1.36269411       0.28416392      -1.29928585      -0.33578057 
O       4.27873066       8.47391540       5.61044712       0.99521245      -1.42342187      -0.00777994 
O       8.82120422       9.56139952       8.56973817       2.44688741      -4.40015280       2.75285448 
O       1.07085731       6.68058205       0.73178383      -0.40062593      -2.56029022       0.31920381 
O       0.84953810       8.95830034       4.12355187       3.23687312       2.35848317       3.99920597 
O       3.69839400       6.32094971       3.89592332       0.17959734      -1.72767202      -1.89917868 
O       3.72599985       9.38370448       0.47443808      -1.76244505      -0.33261131       2.02393442 
O       3.68255455       9.08787273       3.20862566      -2.03428645       0.52086993      -0.59418153 
O       0.96256616       3.70052701       9.20222392       3.13321565       1.91963306       6.11918485 
O       6.60570079       3.75180720       1.84901803      -1.50120540      -1.17930812      -0.07446585 
O       6.19426201       1.40212248       6.54218016       0.36879425      -1.65443726      -2.28388937 
O       6.37112132       3.76229402       9.67477170       0.31127614      -0.97689327      -0.86319743 
O       3.23900778       3.02343221       6.55524198       1.92005329       0.30420425       0.31005726 
O       0.73560724       3.94549376       7.01819278       0.32545286       4.44195580      -4.10068813 
O       9.04213837       3.94268076       9.22361746      -0.32198113       2.31963394       1.55785669 
O       8.21208917       3.30199766       7.25498134      -0.77384377      -0.05981441      -2.60632601 
O       5.65679438       4.16266102       7.02851507       1.53608869       2.88006381      -1.18064937 
O       6.47413019       1.29075060       8.80319953       2.65303205      -2.01829592       3.74666062 
O       6.08655937       1.09063812       1.06934003       5.77706342       2.18882389       1.08409888 
O       9.13378429       1.21887063       9.04664062      -0.34682392       1.55913048       2.95915548 
O       6.42009090       9.33291191       0.97478053      -1.43397123      -2.50354616       0.98279179 
O       9.08942833       9.12558381       6.27263543      -0.69320410      -4.71675482      -0.80256538 
O       1.44225241       6.52283287       8.57498456      -3.10433303       3.44800726       2.39941448 
O       8.74249619       6.83781201       9.48017124       2.34887175      -1.63757646      -2.58011078 
O       8.84866083       5.11836993       1.39244355       0.94762064       0.64731104       0.41814971 
O       9.54798625       6.25000154       6.45708493      -3.71350303       2.11104761       2.07510473 
O       6.27903844       9.20785129       6.48822178       0.23279374       0.86470728      -1.49241400 
O       6.16296012       6.21241522       8.94631434       1.15907963       1.79665961       0.88167834 
O       3.89844411       6.33943469       6.23735387       0.32258998      -0.81971534       2.91708047 
O       6.46943369       6.61077376       1.42135298       0.81026636      -0.62266573      -2.75272965 
O       9.30075713       6.37400644       3.81136375      -2.47375626      -1.29583628       1.28311923 
O      10.12021809       0.10855260       1.73767419      -3.81555103      -0.50928709       0.29133600 
O       8.86839757       8.60768704       3.51832292      -2.39010667       1.93665866       0.30167454 
O       8.55771282       8.47518536       0.96928043       2.97339914       0.88596469      -0.69676241 
O       6.77050000       4.39045002       4.65008043       4.74787560      -0.60161826      -0.59351574 
O       6.44357809       6.86318773       3.78262399       0.06628997      -0.47714106       1.84134372 
O       6.05317020       9.58520291       3.62869046       3.28049338      -2.69995653      -3.50226204 
O       8.98843054       0.86760643       6.25337521      -1.96304154       1.97929925       1.88067405 
O       1.43652876       6.29925830       6.13052871       0.09946489       1.62224327      -2.42252585 
O       9.25931097       3.61824896       4.68486098       0.51826672      -1.03967555      -2.26577205 
O       3.72976831       8.76029648       8.60943353      -0.56560739      -2.13664720      -0.29412276 
O       4.16679831       0.78081819       8.73887855      -3.46212940       1.60849368      -3.10295455 
O       3.87241885       3.55585178       9.06326764      -1.53732579      -1.35121088       0.80024682 
O       6.78479547       6.83704662       6.58919235       1.08281244      -1.82653770      -0.17433145 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02431228022822489 0.0011212926631665402 -0.00469688900855543 0.0011212926631665402 -0.033532083193908005 0.0022082613202990013 -0.00469688900855543 0.0022082613202990013 -0.03600186688606061" pbc="T T T" energy=-925.92771714 free_energy=-925.92818811 config_type=crystal 
Hf      10.20708640      10.43990566      10.17264319      -5.09002198      -2.54017348       3.73572665 
Hf       4.99371184       2.38273802       2.47343162       3.04356585       3.90433802      -2.42537931 
Hf       0.05243702       2.43154704       8.05275582      -0.57312663       2.64923955      -0.29199040 
Hf       0.19953245       0.02714022       5.60585539      -3.28299522      -3.38441037      -4.21402861 
Hf       7.72526497       4.99667336       7.97613246      -0.54601584       2.45214281      -0.11824114 
Hf       8.08843656       7.48660777       5.18952743      -0.60142112       2.02692561       1.84724419 
Hf       7.42553969       2.15292916      10.39385229       6.66582777       9.38558677       1.47057917 
Hf       7.96136297       9.85699882       2.22156430       1.41155606       4.58274523      -3.12617813 
Hf       2.42124725       2.26519067       5.00945416      -0.39021527      -1.38750816      -3.35391726 
Hf       5.30723136       2.62996097       7.93799069      -2.34661955       1.69955037      -1.86222732 
Hf       5.23061114      10.43856777       4.98527870      -1.75698020      -1.59072029      -0.14574206 
Hf       2.40899563       2.42905064      10.31982151      -1.84823632       4.18156633      -1.81149744 
Hf       2.54600122      10.38499202       1.75330348      -0.34770254       2.93873209       4.46259970 
Hf      10.09071325       2.10893019       2.84391208       0.62704341       0.57236977      -3.37164178 
Hf       2.54703046      10.20095750       8.01303042       1.21249235      -1.95789237      -2.50610131 
Hf       7.49061967       0.05268811       7.51789773       1.44436147      -3.84456549       2.58851884 
Hf       2.39054194       5.30333448       7.45163643      -2.30659751      -0.38445449       2.47897369 
Hf       5.14225098       5.39929844       4.89384817       1.16324477      -2.21333077       0.44521381 
Hf      10.43603118       5.12969562       5.08610379       0.10307525      -0.88707673      -0.71424539 
Hf       2.67512587       7.76861723       4.76613186       1.28480813       0.37601357       2.20133121 
Hf       4.64852306       5.00787010      10.14295173      -0.15315454       0.13238084       0.92420702 
Hf       5.34372826       7.91794813       2.39717185      -2.57890026      -2.03549527      -1.29429521 
Hf       5.15318449       7.65574502       7.46818412      -0.27146680       1.32924407      -1.04328534 
Hf       7.20997239       7.83344257      10.08395146       6.04018013      -3.39760003       0.93775278 
Hf       7.49985892       5.29577192       2.81586308       2.55897794       0.21210133      -6.47024729 
Hf       2.38912335       5.11854755       2.49460412      -0.34875136      -2.23903719      -1.29540734 
Hf       0.13039462       7.90376308       2.85714973      -1.84721266       1.46436650      -3.30539520 
Hf      10.26332548       5.18197669       0.07325974      -0.16897050      -0.52531111      -0.55237684 
Hf       7.79162790       2.34452708       5.37853968       1.79816916       2.04461426      -4.50491674 
Hf      10.32928264       7.97721916       7.71708710      -2.97540478      -2.26209419       2.32978140 
Hf       5.17971244       0.03747894      10.12783927       1.10357563      -0.50670167       1.08720079 
Hf       2.49929873       7.81788550      10.32267512      -2.15519816      -2.00010588       1.04459212 
O       1.45515399       8.90621948       1.38706424      -0.31362041      -1.65799938       1.65586882 
O       1.12191573       6.27900181       3.55909955       0.21613881       1.20913787       0.09739895 
O       3.05500800      10.27436492       6.07229289       0.28334320       2.08377168      -0.70099400 
O       1.17314108       0.89707161       3.69752185      -0.20618515       0.55896077       1.50136582 
O       0.86595308       3.90268040       1.42829353       1.19293169       0.16342214       1.46334382 
O       1.78858619       1.34257253       8.63727645      -4.65236359       3.09650020      -0.64757832 
O       4.38369304       3.71056378       3.81897990      -0.78842706       2.64798770       1.68497866 
O       3.40285917       3.99883192       1.15678314       2.06109474       1.41528677      -1.34048938 
O       3.68124921       1.25291697       3.15697695      -3.72340866      -3.02369254       3.75552740 
O       1.57885662       3.63756633       3.79133909       0.07632799       1.20423201       1.85707642 
O       1.11212418       1.09300431       0.46559602       3.62529134       1.36630173       2.38157615 
O       3.72344139       6.96152888       1.67705187      -2.66758366      -1.14039808      -5.79449343 
O       3.75611205       1.63415960       0.89476036       3.62329219      -3.67272658       0.16566002 
O       8.79693289       0.92903496       3.66554604      -1.95635719      -0.19017573       2.96004966 
O       1.00645386       8.91210149       6.52324220       2.33775715       1.38190982       3.78490228 
O       6.03823023       1.52526821       3.77844996       2.56724722      -1.02321545       3.41804525 
O       6.37985893       9.14649476       8.85732642      -2.50492690       0.45648588      -1.08038347 
O       0.73804461       1.70862662       6.18826268       1.57321369       1.69498102       1.12370924 
O       3.56375335       6.32551946       8.94638813       1.10225395      -2.13990649       0.57677420 
O       1.20353429       9.39710404       9.48244586       1.86022295      -2.23265450      -2.70366849 
O       8.89338803       2.26384963       1.13458098       2.85438939      -0.26012983       1.93810690 
O       4.57942730       8.48714656       5.73221058      -1.99834238      -2.16580726       0.57558109 
O       9.09038473       9.23574005       8.78207873       0.14414661      -0.40048527      -1.96921652 
O       0.81890019       6.79710697       0.68640050       1.53989262      -0.66505107       1.42620133 
O       0.79744542       8.88579846       4.43698232       0.60050339      -2.17004561      -3.97320135 
O       3.92169226       6.42223940       3.67060184       0.27674497      -1.22056425       2.64477175 
O       3.78920879       9.37567513       0.58619124       0.72458404       0.65479700       0.12996921 
O       3.52946743       8.93755330       3.56537372      -1.68707674       1.29169019      -2.54003033 
O       1.27715061       3.86056661       9.57223947      -1.92509036       0.18687921      -2.87304873 
O       6.74475933       3.67422116       1.84067646      -1.43873270       0.67023005       0.52097275 
O       6.39970860       1.35088573       6.31807663      -2.86289306      -0.59405305       0.91506326 
O       6.03776113       3.60878553       9.90504966       0.27441963      -0.21766380      -2.76768012 
O       3.41877021       2.59709082       6.53115067       2.99830537       0.94458591       1.23562783 
O       0.87362533       3.96040422       6.92244526      -0.83428401       0.63291560      -0.35580202 
O       8.87566812       4.15401929       9.20428315       1.51911921      -2.19437622       0.72152999 
O       8.26368963       3.26415230       7.04143298       0.75302671       0.74642771      -0.32995347 
O       5.95740521       4.38728064       6.77618158      -1.16326163      -2.04987956       1.93049991 
O       6.61157191       1.36823439       8.88971083      -3.27382713      -2.99041649      -3.25427939 
O       6.65241416       1.09604192       1.11484246      -5.21046375      -4.62826193       2.85454015 
O       8.98644081       1.30153937       9.17094998       2.01842746       0.54200514      -0.31010649 
O       6.42565504       9.18292708       0.75574232      -1.79259478       0.61748671       3.33200522 
O       8.90186868       8.97449239       6.23388809       1.84862318      -0.31061141      -0.43487109 
O       1.15528134       6.61188213       8.67088394      -0.02604165       0.44977787      -1.50131226 
O       8.83672329       6.51566949       9.65148179      -1.05956059       1.30346469      -2.13362614 
O       9.17431507       5.15189056       1.62252391      -2.06112460       0.64631915       1.72028000 
O       9.40846458       6.35799870       6.41269956      -1.16875369      -0.79734244       1.87071150 
O       6.52548836       9.22902859       6.45243721      -1.20260043       1.29150065      -1.72050715 
O       6.15368947       6.25238187       9.41477141      -0.67025325      -0.42136523      -3.06137683 
O       3.72154167       6.13649696       6.14453825       1.56026246       0.08924840       1.73610122 
O       6.49688695       6.69584669       1.27607720       0.59666201      -0.59239472       1.06034249 
O       9.09815117       6.30913138       3.96412077       1.37886169      -0.63478955      -0.48574061 
O      10.11502299       0.00868339       1.84153626      -1.92270502       0.61003521       0.59273521 
O       8.72257713       8.71154858       3.37918735       1.69836624      -3.37202040       3.38699317 
O       8.97996454       8.87349534       0.67538933      -1.88160011      -0.34852717       0.68003214 
O       7.07332150       4.39553805       4.39484613      -2.49814847      -0.41610422       3.40119821 
O       6.67430694       7.29731220       3.77068875      -1.47003569      -3.61939154       0.75516634 
O       5.73270552       9.47790918       3.34848276       3.33235766       3.79230524       1.13480795 
O       8.96439115       0.86603472       6.70768700       2.82223160       2.44982902      -3.15171466 
O       1.37972963       6.16562272       5.98640181       0.81366195       1.37704421      -0.27194908 
O       9.25937293       3.46183286       4.26677355       1.75798907      -0.46205337       0.71579656 
O       3.52315349       8.61134770       8.73966163       1.80257503       1.32772774      -1.89995323 
O       4.00898696       0.98631177       8.77819033       2.30694910      -1.24500552      -0.25071438 
O       3.80658101       3.48718420       8.89336699      -0.59864462       2.38517913       0.59829307 
O       6.67275208       6.76407878       6.56744421       0.52759921      -1.30066651       0.07687477 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01959059044584456 -0.008855094991284996 -0.008138794956007387 -0.008855094991284996 -0.01977218481953772 0.004971685291489681 -0.008138794956007387 0.004971685291489681 -0.0058456196516733" pbc="T T T" energy=-926.98778148 free_energy=-926.99319358 config_type=crystal 
Hf      10.43735651       0.01117288      10.17846606       0.54319679       0.61501471       0.82522231 
Hf       4.94121663       2.30486751       2.63971840       1.18747069       2.22258644      -0.68940003 
Hf      10.24813107       3.13742158       7.42747562      -1.26244365      -2.22172595       2.38361602 
Hf       0.30900325       0.33407629       5.61363858      -8.86123642      -8.58009277      -2.95333317 
Hf       7.59898692       5.55363836       7.69834747      -1.31292418      -4.18081166       0.45498041 
Hf       7.92361516       7.75756178       5.28735343       1.45360379      -0.19149817      -5.08422688 
Hf       7.66685667       2.49197208      10.28452037       1.52426394       2.98082227      -0.59046889 
Hf       7.83498874      10.23525576       2.17247039       0.81667036       0.02329179       1.04235267 
Hf       2.54973430       2.34212184       4.89573638      -0.31473543       0.27483047      -0.83103871 
Hf       5.01143740       2.23943565       7.45184156      -1.22922334       0.06049050       0.57093038 
Hf       5.42931802      10.12105937       5.06021251      -3.62968219      -0.54210551      -3.73237975 
Hf       2.62087945       2.51798896      10.35597898       0.68239216       1.37281061      -0.01936871 
Hf       2.35555751       0.14120086       2.41215244       0.38085457      -2.95067880      -0.21360870 
Hf       9.88970276       2.44622976       2.73515486      -0.75414490      -2.28619787      -0.19623657 
Hf       2.63065938       9.96222840       8.18281259      -1.23025499       2.39105017      -2.16569586 
Hf       7.86129815       0.37253225       7.66882149       2.15809514      -2.57916981       1.72906178 
Hf       2.61548088       5.03674446       7.79851005       0.75129429       0.71515374      -0.58165131 
Hf       4.80978481       5.04727335       4.86364743       0.08593432      -0.43807754       2.28134542 
Hf      10.12236503       5.04894323       4.96161996      -1.98234227       0.65716914      -0.06379422 
Hf       1.94150365       7.62535128       5.19054516       3.43070481      -0.19736450       0.02582503 
Hf       5.25541279       5.12360000       0.11731616      -0.27173288      -0.19886053      -1.91092176 
Hf       5.26427263       7.75955674       2.30840016      -1.23833446       0.14863705       2.40926819 
Hf       4.84010413       8.03979469       7.32028028       0.00377910      -5.66347743       0.97670577 
Hf       7.88838666       8.08731971       9.83515157      -1.28530274       0.43884529       2.53683884 
Hf       7.38286240       5.02472989       2.35943513       4.24450170       1.10798856       2.81746065 
Hf       2.30063508       5.08558603       2.47157733       2.95594549       0.87861695       0.52833302 
Hf      10.26541474       7.71110158       2.32534860      -0.97806704       0.74370743       1.34803522 
Hf      10.39766188       5.11264262       0.22301567      -4.04503734      -1.52289051      -2.94102697 
Hf       7.41598541       2.34712060       5.34727494      -0.53034622       4.14616479      -5.03009039 
Hf       0.30466710       7.60531824       8.20498189      -3.18427302       0.35196214      -6.05952693 
Hf       5.23083815      10.32422097      10.43943740       0.30581538       0.73133820      -0.36855055 
Hf       2.83413152       7.35589289       0.02539058      -0.20245932       2.27929874       0.54076570 
O       1.37796116       9.11279307       1.43359424       1.73230037      -0.92163080       2.23672852 
O       1.08720081       6.49114509       0.91913268      -0.19202917       1.98392837       1.31608632 
O       4.01175286       0.72815562       6.24802322       0.12882436       0.08892037       2.29799576 
O       1.21583972       0.77268344       3.97174853       0.80153567       0.79034408      -2.21040089 
O       4.21708662       3.85296711       1.24315975      -1.85389408      -1.06809214      -1.00871446 
O       1.78234446       0.91121469       9.49188156       0.85178665      -0.59972535      -1.98379738 
O       3.43869241       3.68066404       3.41511897      -1.07561657       1.32666961       2.43434434 
O       6.60467311       3.75432307       1.15068501       0.20071718      -0.07893846      -1.12519740 
O       3.85641373       1.21389625       3.89873758      -1.31602656       1.69095596      -1.82793576 
O       0.65053838       3.39101887       3.82035872       2.88154602       1.06149907      -0.53064723 
O       0.85629414       1.21106818       1.18624717       0.04130136       1.70757485       2.22482321 
O       0.90679178       6.27345567       3.28210780       0.80036964      -1.41024070       3.04311267 
O       3.61921500       1.23760345       1.20388837      -0.27073616       0.44222281      -0.01304305 
O       8.97020878       1.71277019       6.38937689       2.05356129      -0.92775960       0.54828105 
O       1.12087863       9.05631044       6.72233905      -2.05450702       1.48835643       3.44685023 
O       6.25409445       1.12773703       3.70544549       2.36241213      -3.11888999      -0.87508817 
O       6.60899408       9.81466722       9.06300860       1.08608405      -1.16018849      -0.30105635 
O       1.55973885       1.33911429       6.27338062       2.72137595       3.42810789       5.66762811 
O       3.95064375       3.45927702       9.13203256      -1.60914184      -0.73378217      -1.35260794 
O       1.11921901       8.82033971       9.47705995       1.26812947       1.68578942      -0.34011358 
O       1.51507277       4.16615474       0.98359652      -0.15773022      -3.06691146      -0.75649343 
O       3.16337002       8.59924113       6.46353033       4.41349507       0.22458590       1.45149117 
O       9.12362444       9.34948252       8.75125703       0.11269919      -2.95813765       1.01957380 
O       1.57510878       6.54285209       9.10755338       0.58518413      -2.95254269      -0.60062444 
O       0.50404958       8.61560430       4.57452399      -1.72659228       1.39274570      -4.22809638 
O       3.88562343       6.98321390       4.08083449      -2.10338609      -3.38034962       0.94231492 
O       4.03676572       9.18138781       1.01962265      -1.23862349      -2.88809426       1.62372733 
O       3.83146566       9.41371736       4.09879104      -2.38649414       0.17112193      -2.16321747 
O       1.25996176       3.93727057       8.84756795      -0.77306598      -1.13089550       1.14918682 
O       9.08208482       3.73029529       1.19376682       2.02533319      -0.36299967      -0.52385528 
O       6.42486421       0.93805683       6.28375608       1.14725212       0.82836820       1.82483841 
O       6.23731054       4.47000004       9.02979192       1.90685654       1.04593363      -0.30191645 
O       3.63094216       3.27156038       6.17116939       0.78380856       2.21919418       1.64028852 
O       1.04658598       3.90789257       6.16272494       1.13159001       0.42751766      -0.37968971 
O       8.99068256       3.82717671       8.68799764      -0.98270679       0.48486557       3.11165788 
O       8.87383706       4.30684172       6.38779524      -0.33762303      -0.83987832      -0.99086202 
O       6.10156225       3.59953864       6.46394239       1.40045265       0.26567388      -0.40120986 
O       6.94361891       2.03138068       8.54907056      -0.35222159      -1.76654039      -1.50327567 
O       6.21286129       1.47285108       0.62005474      -1.33649849      -1.72818089       2.39756351 
O       8.69706336       0.86268533       0.49830928      -0.69564142       0.81280045       1.70058904 
O       6.50686710       9.01500234       1.05459943       1.71585181       2.30953039       0.62555510 
O       8.80657163       9.17073542       6.07490798       1.06444259       4.54958217       2.41172540 
O       1.41163794       6.27451474       6.59981083       1.28744722       0.53515256       0.93274825 
O       9.71530478       6.63767859       6.08844036      -1.92778473       2.00948301       1.78362886 
O       8.87556095       6.21801631       9.05245888       4.62266443       3.23081825       1.47495060 
O       6.75986729       6.48678163       6.04889298      -2.55037011      -3.33551935       2.64100613 
O       6.33695515       8.88965369       6.47116742      -0.73500477       1.30943585       0.59842327 
O       6.73880186       7.08072006       8.82146838      -2.79973095       0.49611189      -2.96383562 
O       4.01586535       6.30776000       9.18999249      -0.27857482      -1.59862280       2.04166362 
O       6.45960488       6.77514438       0.87838693      -1.84069193      -3.10272167       0.99865496 
O       8.73408451       6.36767983       1.38545454       3.81127800       0.48719469      -0.66535320 
O       8.98051642       0.88958241       4.02662512       0.48436833       0.98182614      -2.58807950 
O       8.11060104       8.70780765       3.20597844       2.05225201      -1.45310197       1.21933947 
O       9.59078359       9.20557834       1.30403525      -2.89750800       1.32101485      -2.56965289 
O       6.06962464       3.40820248       3.98661901      -0.51851531      -1.19092418       1.02610825 
O       5.68010502       5.29992093       3.21013718       0.29136966       5.42862824      -2.74038902 
O       5.91676391       8.32747212       4.11553853       2.02431579      -0.27811513      -0.83257007 
O       9.72262903       1.16370988       8.66072356      -0.08747499       0.96885886      -0.91131051 
O       8.54148811       5.93154720       4.08647358      -0.53616146       1.36042763      -1.82355092 
O       8.64017391       3.54173455       3.74285829      -0.94726500      -0.16684868       0.17894581 
O       3.77871810       6.33848405       1.66042725      -1.35074534       0.95404324      -2.43498833 
O       3.69717939       8.60544570       9.00120799       1.36722350       1.15501116       0.15634379 
O       4.42207458       0.75842282       8.90862137      -2.08631561       0.28450313      -1.33945466 
O       4.03144062       5.98056178       6.69751385       1.54240597       0.53495140      -0.91243207 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00533443691478437 0.0026140543905257816 -0.008281410025428327 0.0026140543905257816 -0.012171241333095353 0.015920984496243126 -0.008281410025428327 0.015920984496243126 0.0029700665508550156" pbc="T T T" energy=-928.99801978 free_energy=-928.99849482 config_type=crystal 
Hf      10.43004828       0.04436047      10.14229571       1.06962471       0.85183453       2.12921722 
Hf       4.97711025       2.36302954       2.67148122      -1.71857490      -0.78312497      -3.24728355 
Hf      10.25716120       3.06659325       7.37898530       0.12393284      -0.83499888       2.30365703 
Hf       0.35470758       0.28921533       5.59595551      -3.05213021      -3.11230784      -1.14710080 
Hf       7.59067602       5.59064863       7.71930510      -0.69658684      -4.61709494       2.05569601 
Hf       7.89822866       7.72221501       5.29786945       1.16977036      -0.07723345      -1.91286901 
Hf       7.67491690       2.50755248      10.25799609       1.16866991       1.29257042      -2.06924673 
Hf       7.80286546      10.24487922       2.24177746       2.77104826       0.88033727       1.66747760 
Hf       2.54498118       2.34537861       4.89015769      -0.11424268       1.62113330       1.63434867 
Hf       5.00032156       2.22927077       7.43794894      -1.07020947       1.68974009       0.41058638 
Hf       5.45669268      10.09054987       5.00214498      -5.00042349       2.15858797      -0.47351795 
Hf       2.62519048       2.50065306      10.31429106       0.17839047       2.21475109       0.30448038 
Hf       2.34845243       0.08612249       2.38077278       1.20436813      -1.32392911       1.36388826 
Hf       9.87374348       2.49938414       2.72340247       2.21548006      -1.79893716       0.78867193 
Hf       2.60294635       9.93652163       8.14043578      -1.33669838       5.84523960      -1.77166660 
Hf       7.88557910       0.34297664       7.69130571       1.20779881      -1.52408031       0.85153741 
Hf       2.62712400       5.08636953       7.79836196       1.84970282      -2.32725258       1.09670040 
Hf       4.88834547       4.99508469       4.85636903      -0.16912337      -0.16324572       3.44230144 
Hf      10.14478875       5.07936073       4.99339880      -0.84152022      -0.46474473       0.44584703 
Hf       1.93147263       7.61221902       5.17655834       2.16176735       1.46842405      -1.02877728 
Hf       5.27060113       5.08760590       0.13270011      -1.14337565      -1.87169871      -2.50089912 
Hf       5.25655748       7.76811391       2.33744816      -1.33484680      -0.22651809       2.32662659 
Hf       4.85866929       8.03450737       7.32699466       2.57164389      -7.98563861       5.58923007 
Hf       7.80817057       8.14668159       9.89604339      -2.39902903      -1.15940659       2.14183072 
Hf       7.40718773       5.01199106       2.29228985       2.54078464       1.20978121       4.17360829 
Hf       2.30011271       5.13019109       2.48072311       0.81713457       0.55106603      -0.30350511 
Hf      10.24468340       7.67604212       2.31884114      -1.33308961       3.78902441       0.45698289 
Hf      10.36768804       5.11093872       0.24248511      -1.59416925      -2.14175297      -2.60363397 
Hf       7.42715431       2.36519112       5.35456705       0.05762792       4.28659742      -4.78221186 
Hf       0.22384931       7.62240117       8.12494780      -1.45167353      -0.92885163      -2.69371345 
Hf       5.25592281      10.34265656       0.00820937      -3.07966201      -0.44461531      -1.41823523 
Hf       2.89170922       7.32502325       0.00255878      -1.18917281       2.12520825       0.65994961 
O       1.40265511       9.04465015       1.69490166      -0.55609560      -2.41233325       0.26394123 
O       1.19432372       6.45657586       0.97557627      -0.59883850       0.73251867      -0.15266170 
O       4.08873365       0.78569973       6.20638376      -1.53518639      -0.52388076       1.19540926 
O       1.15735658       0.93264779       3.83970842      -0.05779934      -0.42299906       3.03467824 
O       4.12718720       3.65641093       1.21220470       0.52155212       1.66935940      -2.85614788 
O       1.80043413       0.82665522       9.49174068       0.33518265       0.58496988      -0.59373624 
O       3.30836184       3.68606335       3.29738657       0.52864843       0.66077433       3.93826840 
O       6.68391763       3.75379253       1.05279914      -0.61853523       0.16082533      -0.58024796 
O       3.84974634       1.35328165       3.87416200      -0.68528143       0.60294747      -1.09092092 
O       0.67298964       3.45945285       3.89547202       0.69898582       1.18942264      -2.19950393 
O       0.87546853       1.23677934       1.44460605      -1.66029772       0.57102495      -1.35501764 
O       0.87535979       6.45105975       3.31629501       2.63174820      -3.55894428       4.10172875 
O       3.49295065       1.26184149       1.28248377       1.28142485      -0.26806384      -1.56624599 
O       8.96440151       1.64554756       6.35034602       2.00870579      -0.42228439       0.27558143 
O       1.30135967       9.13680923       6.82017531      -4.36813321       0.07051707      -0.82385505 
O       6.24124039       1.00143124       3.79625307       2.34616753      -1.36682842      -2.05010022 
O       6.51527020       9.70322595       9.06439516       1.38622099       0.04149687      -0.28719676 
O       1.55028421       1.56881399       6.56144038      -2.12032875      -2.66783601       0.14651474 
O       3.86522010       3.44699524       8.96185738      -0.51098836      -0.72867105      -0.08015971 
O       1.03812092       8.91574362       9.37758207       0.31085795      -0.23483645      -0.10277020 
O       1.46871986       3.95318715       1.12592742      -0.64116989      -0.17965020      -0.20072521 
O       3.33550468       8.64066750       6.65618304      -1.06648870       0.53609106      -3.29868907 
O       9.02248369       9.32731898       8.98367051       0.74130372      -1.50918543      -1.65584501 
O       1.58954648       6.50182407       9.00626631      -0.74884246      -0.05953188      -0.32983355 
O       0.22612916       8.56566305       4.46615570       2.19435205       0.19379036      -1.09924526 
O       3.77796171       6.76209585       4.22116760      -2.15292727      -0.70483969       0.35134477 
O       3.86232818       9.12655288       1.07933179       2.51677774      -1.57072875       0.75630116 
O       3.76517976       9.56482971       3.97848427      -1.92674967      -1.41069211      -1.10805516 
O       1.37678413       3.89382830       9.05335887      -1.49675177      -0.66157269      -0.52441682 
O       9.13309049       3.76447172       1.30877392       0.40541635      -0.84081206      -1.33191475 
O       6.31838842       1.07969120       6.26122727       2.61860408      -1.45333832       1.61736100 
O       6.26776593       4.40815234       9.01830464       1.28522843       1.44388384       1.77681360 
O       3.78790324       3.31365512       6.25247271      -1.38519866       1.13143843      -1.94236958 
O       1.11906892       3.77893475       6.01761119      -0.51579095       1.99778822       2.36907788 
O       9.14823487       3.76056301       8.82582232      -0.94049980      -0.61567190       2.71442578 
O       8.90052995       4.49905830       6.47843368       1.24626159      -3.10659131      -0.45396852 
O       6.14529924       4.00388699       6.58543938       1.17427581      -2.80109532      -1.98664911 
O       7.04356232       2.08805107       8.35109946       0.22471812      -1.75548689       1.45419643 
O       6.11324431       1.42038548       0.77988554       1.00521937       0.12496902       1.22163296 
O       8.64515028       0.74022336       0.44230622      -2.10318604       3.26547924       1.15619425 
O       6.71558134       9.10653282       1.07035933      -2.15965200      -0.35477788      -0.77651669 
O       8.95232257       9.21587740       6.05524136      -0.86078524       3.26340253       1.79929212 
O       1.56759216       6.19623290       6.53891942      -3.05962637       2.60304514      -1.77583946 
O       9.45686123       6.73750269       6.33399719       0.48476805       1.69856052       2.23827125 
O       9.05022874       6.06088003       9.22395385       1.55549959       4.26186083       0.07516467 
O       6.70858333       6.21471820       6.17445881      -1.31799701       3.07194562      -2.37219498 
O       6.29885923       8.83712236       6.55029231       2.35008672       2.44563458      -2.02369696 
O       6.52214367       7.18794533       8.80241529       0.90322959      -0.37870351      -0.93205127 
O       4.02078906       6.25020950       9.15732529      -0.13977894      -0.38701269       2.21351713 
O       6.40101949       6.59940840       1.04379538       0.06877437      -0.73945420      -0.46267160 
O       8.87185434       6.21077956       1.44188871       2.42611242       1.28606510      -0.36287963 
O       8.83016527       1.15197172       3.90838438       0.51160163      -1.68983685      -1.91849675 
O       8.01411901       8.62129027       3.23507814       2.67753307      -0.84356284       0.58520462 
O       9.55210187       9.27168014       1.23186808      -1.65412722      -1.07648519      -0.51277991 
O       6.07171966       3.41683971       3.75698535       1.48182832       1.23065177       3.08657766 
O       5.58596574       5.49882520       3.09703367       2.01737201       2.98915050      -0.96665802 
O       5.93295899       8.46841551       4.09216823       0.92933697      -2.76910048      -0.78571515 
O       9.69533088       1.17178372       8.61164263      -0.24196123       0.06129009      -0.92034997 
O       8.61547986       5.95794160       4.21234449      -1.75067710       2.08513769      -2.45246995 
O       8.62971420       3.51307318       3.86362348      -0.95289530       1.84258129       0.38344251 
O       3.80436427       6.43916094       1.76468986      -1.93703127      -0.11888343      -3.52798033 
O       3.55546474       8.83155466       9.20637053       3.72371360      -2.94246387       0.87163004 
O       4.49767320       0.74901308       8.72780803      -1.06828893      -0.63605347       1.90005251 
O       3.93390725       5.88564151       6.57209602       2.55763056       1.27654769       0.01436296 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016118197978138914 0.0036961706238373792 0.004265711801853301 0.0036961706238373792 -0.04981123669758145 -0.005138861279781321 0.004265711801853301 -0.005138861279781321 -0.026963407248090585" pbc="T T T" energy=-922.62320552 free_energy=-922.62986964 config_type=crystal 
Hf      10.04091475      10.21166338      10.41762302       2.70251164       2.15282535      -1.16135726 
Hf       5.23646603       2.50267042       2.27971545      -5.59562379      -0.58019493       0.60093409 
Hf       0.04330464       2.46654486       7.88986616       0.23273522      -0.59569435       0.49867581 
Hf       9.93190834       0.18082119       4.78575399       2.53551367      -0.26172944      -0.75592705 
Hf       7.67788563       5.08304337       7.99433286      -0.33495152      -1.35130008      -2.16437062 
Hf       7.60756501       8.28862451       5.47290921      -0.52692955      -3.13951200      -4.33142035 
Hf       7.72797729       2.35991229      10.02136033      -1.34298736       1.69734054      -0.62989877 
Hf       7.50001131       0.12559262       2.01348012      -3.70095864      -0.15485818      -0.38700200 
Hf       2.84687171       2.55668731       4.98033478      -2.06906734       0.22658529      -1.88040189 
Hf       5.46218806       2.70568257       7.65119703      -2.79178104       0.05381912      -0.10065633 
Hf       5.03717724       0.11184202       5.03739849      -1.65416310      -2.02462368      -0.04249548 
Hf       2.51329591       2.45575086      10.24265212       1.08854097      -0.63599737      -3.64377561 
Hf       2.33315576       9.95482021       2.39290573       2.32973633       3.63922115       0.33464389 
Hf       0.43686180       2.26775509       2.60035356      -0.30356913       3.84528910       1.91639271 
Hf       2.27866967      10.03845980       7.18058121       1.76225659       1.01982660       2.78157669 
Hf       7.41764734      10.11447770       8.00631279      -0.41511510       0.96069444      -0.14125454 
Hf       2.90299901       5.24851033       7.78254250       1.36731545      -0.20031220       0.79245879 
Hf       5.45642118       4.81417318       5.13437652      -0.66329927       3.16200656      -0.27422719 
Hf       0.39725132       4.95194207       5.20438211      -0.53323825      -4.17984163      -1.56561022 
Hf       2.12958304       7.70469836       5.03371585       7.58190893      -0.85922444      -0.91241254 
Hf       5.46605155       5.29402993      10.46251339      -2.26165742      -1.41024215       2.56179817 
Hf       5.12893190       7.56158857       2.70414267       2.26692501       1.20863605       1.00966001 
Hf       5.08277334       7.99916532       8.20572959      -1.54972272      -2.11228323      -3.58075037 
Hf       7.56150316       7.77628257       0.30539932      -0.72132063       2.25565317      -1.10786849 
Hf       7.91255458       5.28632481       2.79039327      -2.72962654       2.16474472      -1.78517781 
Hf       2.86894806       4.94778542       2.02187328       2.57604557       0.18033525       2.90094538 
Hf      10.35956292       7.50158406       2.33845720      -0.46064350       1.53759403       4.00300942 
Hf      10.26250514       5.08126391      10.45671951       1.72319268      -1.84327797      -0.61976836 
Hf       7.66315404       2.43514396       5.08142540       2.41863622       1.41983956      -1.85126467 
Hf      10.14956490       7.48812275       7.82842528       0.74768825       2.20323663       2.31514587 
Hf       4.72643806      10.31417656      10.05486882       0.05953363       5.35601482      -0.99613444 
Hf       2.22727790       7.62969977      10.38891444       3.82903013       1.16613627      -2.26925105 
O       0.92758079       8.93275957       0.99151954      -0.06215228      -2.69043135       0.26941773 
O       1.51826203       6.13582817       1.16216632      -3.33438845       2.87312952      -0.63877460 
O       3.83614939       1.33120760       6.06348601      -0.15513186      -5.40834011       4.38157868 
O       1.27125762       1.27456473       4.01023777      -1.65318960      -1.97020275       0.51431003 
O       3.90267465       3.95311535       0.53427230      -1.74829708       0.94904049       1.75978451 
O       0.90868490       1.07207631       9.51526755      -1.53622287       1.66163198      -1.22003667 
O       3.92897558       3.80854227       3.41905918       1.98056974       0.79625609      -0.27012161 
O       6.08398249       4.00660872       1.56817503       2.84435961       3.24149390      -0.91879336 
O       3.58837487       1.21874472       3.67040926       1.42292165      -0.49178075      -1.91619987 
O       1.66302810       3.64965458       3.93103596      -4.01397820       2.45838112      -1.63209153 
O       0.86971840       0.80880062       1.42394158       1.04182359       0.24521486       0.41932956 
O       1.55761338       6.34986531       3.75948186      -3.48252516       0.23369423      -1.01985775 
O       3.82853774       1.42776562       0.79242227      -0.78059310      -0.69439816       2.26713583 
O       9.60935094       3.40332932       5.80025678      -0.15386794       0.52017227       0.89686033 
O       0.98068242       8.72113594       6.05789465      -2.58214390       3.15145325       1.87911698 
O       6.16085903       1.29258407       3.50075551       1.50951220      -0.02827839       2.45193179 
O       6.43102640       8.85409551       9.40187716      -2.85777358       1.78242308       0.88005604 
O       0.72041743       1.41847121       6.43245294       0.98095880      -4.24221054      -1.72735231 
O       3.66811423       3.50176665       8.70964206       0.50361210       0.16699968      -1.58791170 
O       1.12605239       9.08943942       8.55790644      -2.18016671      -1.52094153       0.57480427 
O       1.40763022       3.78220816       1.43445907      -1.74070010      -2.70766118      -2.06117133 
O       3.69842414       9.01905150       6.21144594      -1.32802858       0.55200352       0.57739984 
O       8.79261558       9.11016846       9.39097368       0.76846519      -2.57577627      -1.77775111 
O       1.31742947       6.48773499       9.05253120      -3.56359095      -0.28263573      -1.65210708 
O       0.69882650       9.54906531       3.41000361      -1.76084004      -2.89684092       1.11955414 
O       3.98402853       6.60935506       3.81683747      -0.98295291      -2.25669850       0.24563023 
O       3.71596758       9.18731524       0.61761664      -4.34146641      -2.09815627       6.33544886 
O       3.66188402       9.25375049       3.80009804      -2.15978885      -0.96642815      -2.32103558 
O       1.00508949       3.74917317       8.96296628       0.65183932       1.68106749       3.13571176 
O       8.65286156       4.09372676       0.57476728       0.98318236      -0.67553693       0.59411138 
O       6.80137749       1.41809788       6.45614999       0.83234736      -0.74943078      -1.47800045 
O       6.36970860       3.82530232       9.27886069      -0.00333039      -0.47432471      -1.20374549 
O       4.43655352       3.28786997       5.75000217       2.90003495       2.61204040       0.91614559 
O       1.82551094       4.13447607       6.57969312      -1.68885228      -0.54715770      -2.05524653 
O       8.91520524       3.33642235       8.33254613      -3.37157201       3.61937482       1.48122690 
O       8.04729916       6.28994883       6.57747261      -0.43183842      -0.21092221      -0.65676134 
O       6.87979979       3.67307594       6.38041364      -0.90318843       3.26534234       1.79655217 
O       6.22898876       1.34014406       8.88015886      -1.16122244      -0.96189926       1.47723368 
O       6.12502056       1.41839491       0.98380909       3.87068935      -2.15454237      -2.27345402 
O       8.74052101       1.14304196       0.76329191       1.10746267      -0.14526956       1.26992780 
O       6.15929402       8.99064655       1.43067574       1.50349717       1.87431397      -0.15568237 
O       8.81568853       9.47873831       6.72136737       2.11775999       0.63990579      -2.97931571 
O      10.20735308       6.40859493       6.34461002       3.13203287      -0.37123458      -1.26475353 
O       6.83908679       8.04075842       7.16360723      -2.52766866       0.14554482       2.30711143 
O       9.16987730       5.85451817       9.06146254       1.60771442       2.66459858      -1.01990561 
O       5.00424565       5.27048809       7.09193145       1.30551785       0.14294579       0.94509416 
O       5.73423338      10.13448541       7.03147030      -2.38677770      -2.34619663      -0.24606103 
O       6.68858367       6.28494766       9.29746687      -0.23025921       2.55742515      -0.04843840 
O       3.57621828       6.57185948       9.27859149       3.46182309      -0.94640333      -2.75604746 
O       6.57627821       6.56720412       1.43205456      -0.16530954      -2.34892587       0.41896709 
O       9.14439273       6.61132689       1.05831232       1.41938052      -0.31989110       0.69589358 
O       9.22230469       2.21594384       3.71282615       0.37161368      -2.97890499      -0.68265458 
O       8.07782781      10.32773322       3.78452967       3.85392646      -0.28254199       4.58919942 
O       8.67176708       9.15878574       1.29927375       2.52041348      -1.02049874       1.39423206 
O       7.06711127       4.08621339       3.96527079      -1.84633949      -2.97920688       1.73525433 
O       6.65909777       6.60813565       3.99170444       0.22900575      -3.62564987      -0.63120498 
O       6.04782993       8.66360428       4.23431807      -0.38018014       4.06457776       1.94461515 
O       8.46897053       1.21862069       8.65773191       3.85367422      -2.33260615      -0.13975383 
O       8.92010667       7.74516436       3.97993844       3.42996236      -0.67382944      -2.48094004 
O       9.58675975       4.80570152       3.46667756       2.15479825       1.17444624       0.05254070 
O       4.15012178       6.64817210       0.92642093      -1.04040124      -0.68683617       3.34121342 
O       3.49089823       9.03780055       8.95442806       1.70223930      -0.79095811      -3.17405835 
O       3.42724019       0.94161576       8.90044549      -0.37437268       0.38849860      -0.60191372 
O       3.22888811       6.54942016       6.25041349      -2.70816980       0.14875456       0.56846953 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0291296858561675 0.00035184917984792507 -0.0013991766893219667 0.00035184917984792507 -0.03225010594911809 -0.006274092599716457 -0.0013991766893219667 -0.006274092599716457 -0.04372384770227201" pbc="T T T" energy=-925.35767468 free_energy=-925.35898492 config_type=crystal 
Hf      10.44215401      10.40642062      10.45580853      -0.59180217       0.18404363      -3.37443303 
Hf       5.13206129       2.21139858       2.25829407       2.25144692       4.48063925       1.68426611 
Hf       9.90058217       2.52071844       7.67609686       1.97133240      -0.71281180       4.02857563 
Hf       0.05320796      10.20555258       4.73781472      -2.74770351      -0.09081070       0.61550483 
Hf       7.35074121       5.67759721       7.73880457       0.60831316      -2.19981762       2.03777607 
Hf       7.95049969       7.35623283       5.08462586       1.80221838       2.45128559      -1.89091962 
Hf       7.87622630       2.60477343       0.26914189      -1.20006901      -0.07793737      -4.78946028 
Hf       7.67680416       0.00345709       2.35727679      -0.56855397      -3.16057873      -2.27065148 
Hf       2.88732347       2.32286246       4.96438659       1.04667266       0.81886544       1.18564740 
Hf       5.35148748       3.14512209       7.77071141      -0.39601912       2.00229365       1.73969040 
Hf       5.35934236      10.44874656       5.57745200       0.75648831      -0.76633575      -3.23273750 
Hf       2.15755658       2.16059963       9.74212044       2.62061183      -0.22451005       1.50096891 
Hf       2.66999513       0.01442682       2.41106385      -0.44962473      -1.67392298      -1.84876394 
Hf      10.14432740       2.73994838       2.18745150       6.02979294      -1.97025647       4.71448051 
Hf       2.18769662      10.18462887       7.60835239       0.10897020       0.38337289      -0.74918362 
Hf       7.59049705      10.18489010       7.95260130       2.94120816       2.16372554      -1.10163614 
Hf       2.32158443       5.20490165       8.05354037       4.76447956      -2.32754289      -3.65783463 
Hf       5.07193884       5.07710799       5.02524912       1.24911755       1.99512514       1.98455300 
Hf       0.37794798       4.79994333       4.77559288       2.30852186      -2.87606387       3.65060063 
Hf       2.38216238       7.63658779       4.99971619      -2.42433087       1.91644855       1.69082245 
Hf       5.17797390       5.33872206       0.28771866       1.65834978       1.20647637      -1.90254735 
Hf       5.15482182       7.71454193       2.97932608       2.88928063       2.69846301       1.21113183 
Hf       4.78182571       7.65212842       7.85053575      -2.61459722      -0.63413999      -1.68040036 
Hf       7.73503527       7.93251781      10.36234453      -0.12345729      -1.56262599       2.83234586 
Hf       7.77882554       4.90603680       2.41373483      -3.43983066       5.00583691       0.55657536 
Hf       2.64074430       4.98304595       2.32037203       1.39323459      -0.19230155       0.93683534 
Hf      10.45230413       7.15979419       2.59959601      -0.66339179       2.50265603      -3.13214422 
Hf      10.25628623       5.04745421      10.16668404      -0.77275699       0.13920543       0.30736612 
Hf       8.01740414       2.30187616       5.22490968      -1.19396151       0.34653727      -0.45193013 
Hf      10.12062251       7.59667022       7.64645009       1.13571087       0.57709256      -2.69681147 
Hf       5.19718241       0.42446752      10.16822048      -7.78560346       0.34565420       2.92492539 
Hf       2.27368284       7.92395071      10.24555335       0.90517401       1.25301132       0.05650266 
O       1.19119412       8.74734728       1.38800034      -0.69578795      -0.06512982      -0.98929391 
O       1.17405792       5.98702790       0.81096524       1.71142182       3.16824857       1.46595666 
O       2.26900758       1.73387235       6.66376716      -1.56655381      -1.73259460      -0.76996452 
O       1.19675931       0.98458108       3.37502316       1.27087813      -0.47255505       1.27647312 
O       4.13977689       3.93968711       1.05425195      -2.11966457      -0.06332593       1.36173248 
O       0.76337522       1.17790519       8.71987319       0.67107194      -1.06853717       0.38570968 
O       4.23631335       4.18127464       3.65510694      -0.10854440      -1.67636127      -1.55743099 
O       6.50890885       3.75806201       1.38789515       1.05256110      -0.66117463       0.28546335 
O       3.97586290       1.33391374       3.51884916      -1.91630992      -1.71908300       2.50069803 
O       1.99534074       3.57292142       3.85469539      -3.43779735       1.27395339      -0.96498110 
O       1.26439462       1.07639697       0.84448146       0.96318986       1.72757851       1.07618094 
O       1.43977809       6.26153142       3.57897800       3.21248126      -1.92157830      -2.04146917 
O       3.87907515       1.39269935       1.08012367      -1.20985817      -1.02421171      -0.39945261 
O       0.01545157       3.86783026       6.62593781       1.14007009       3.22184989      -4.96947834 
O       1.19700684       8.60480025       6.32923434       1.18135847       1.49992935       1.98468043 
O       6.52302890       0.72355844       3.62551230      -2.89143702       2.75020011       1.32711955 
O       6.47774720       9.70894395       9.85132833       5.65167585      -4.64214676      -3.14726761 
O       9.41813661       1.04998457       6.69204411      -0.50878662      -2.24670390      -3.02641438 
O       3.76359455       3.91092610       8.75852874      -0.86812852      -1.21784033       0.29796188 
O       0.71900826       9.26809086       8.91473698       0.24259337      -2.69166467       1.05199495 
O       1.32898332       3.89359878       1.55603507      -3.17565414      -4.42822118      -2.13125855 
O       3.57791380       9.63948323       5.95368615      -1.43232408       0.44004319       1.10829402 
O       8.64101885       8.60559903       8.51309248      -1.62076065      -0.46101165       1.55227414 
O       0.87936960       6.11229701       8.86156419      -1.69680568       3.75928817      -0.99675831 
O       1.13920505       8.84260916       3.82889516      -2.05054929      -0.09013152      -0.53389439 
O       4.03381530       6.72838674       4.94236079       4.48318342      -1.01326386      -2.17837752 
O       3.54348440       9.40162126       0.31311636      -0.26832421      -0.44632858       1.13492298 
O       3.51181839       8.96169882       3.46530931       1.25788513      -0.39598992      -0.99269771 
O       1.27184980       3.50824648       8.78781610      -1.47954296       3.23656219       0.15360185 
O       9.19951810       4.04933992       1.18835820      -2.85556311      -2.73308186      -1.14960106 
O       7.26083080       0.66695472       5.91976038      -1.10580723      -0.34813808       2.95387682 
O       6.30243553       4.20124760       9.49181122       1.84377099       1.73869424      -0.58249818 
O       4.84868558       2.09089568       6.21515328      -0.62507969      -0.04893476      -2.30234367 
O       2.49291466       4.89458227       5.90669521      -0.46862956      -2.17271335       0.69183783 
O       9.33039824       3.19966219       9.36312385      -1.90124539       2.88070148       3.75161381 
O       9.00180017       5.96173832       6.67808607      -2.35443018       1.90533426       0.52707800 
O       7.73814771       3.50785065       7.08212054      -1.08114240      -0.31157180      -1.01185767 
O       5.71251047       1.91008809       9.17360703       3.06255047      -0.75616649      -0.41314220 
O       6.49301142       1.26562607       1.18735889       0.11940431       0.10629916      -2.25735360 
O       9.03263150       1.32073721       1.37301389       0.38895777       1.57119667       0.64036894 
O       6.31653570       9.03590387       1.81688250      -0.16821361      -0.93561571       0.23771844 
O       9.52150708       9.05562648       6.22932525      -3.46025426      -1.98048113      -0.12851251 
O       0.02068812       6.56796700       5.18562396      -0.68813052       3.49758466       0.28458279 
O       6.66961620       7.11888160       6.48022183      -1.55166301      -1.41485990       2.52956644 
O       8.86673250       6.14895561       9.22821600      -2.10217454       1.48376663      -2.15645305 
O       5.31689365       5.09533822       7.27897186       0.91006370       1.09484801      -2.93369860 
O       5.95204756       9.35843719       7.14373631      -0.80316804       0.21846635       3.32897137 
O       6.07164190       7.09693356       9.23362661       2.57530878      -0.50952983       0.47300476 
O       3.67823275       6.58027378       9.58056910       0.27947973      -1.78206335       0.72650042 
O       6.71597424       6.45531897       1.45417707      -2.83753337      -0.42849242      -1.96445458 
O       9.04848696       6.22594540       1.00142465       1.89154190       1.83635010       1.05596572 
O       9.59524700       2.06364546       4.02597967      -0.33301988       0.37129658       0.36546772 
O       8.70568322      10.00346125       3.82678653       4.40851487      -1.28720673       2.55795879 
O       9.08128353       9.42385052       0.79028989      -3.85200880      -4.02579951       1.03877188 
O       6.90687051       3.42279425       3.89908066       0.13588328       0.54393846       0.99294100 
O       6.64972215       6.20178177       3.96117338      -2.02180881      -1.59864701       1.07562954 
O       6.08612304       8.78466200       4.80730547       0.70552684      -1.41019651      -2.62564002 
O       8.75953600       0.89874526       9.43884984      -2.22049817      -1.04324136      -1.27783128 
O       8.53188820       7.34169517       3.02453943       1.52212806       0.40378895       2.57595305 
O       9.31644429       4.55815025       3.48836614       3.29563972      -0.32651965       1.63952640 
O       3.88966600       6.62611208       2.02932836      -0.43321937      -1.36515790      -1.71042673 
O       3.04632504       8.57051329       8.35152292       1.20354109       2.65438804       1.97449029 
O       3.42602621       0.89371468       8.95628078       0.01838672      -1.10212231      -1.07963740 
O       2.96282412       6.82907430       7.10090632       1.15955684       0.02601504      -0.97315261 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012538792165104099 0.0010807435569340697 0.0029834481092435626 0.0010807435569340697 -0.005329316268350331 -0.002939997075758104 0.0029834481092435626 -0.002939997075758104 -0.0036785878557241275" pbc="T T T" energy=-932.35435009 free_energy=-932.35439879 config_type=crystal 
Hf       0.05590814      10.43798051       0.38395495      -1.19526608       0.26000393      -1.91581143 
Hf       5.07070749       2.47473906       2.33746176      -2.12189038      -1.81272683       2.20661061 
Hf      10.23318617       2.63897802       8.08690138       1.01850512      -1.88858502      -3.90456499 
Hf      10.36551066       0.43574517       5.16549881      -0.47699337      -3.38888006       2.79359417 
Hf       7.63785870       4.80168533       7.35889857      -1.20028848       5.26975062       3.46822437 
Hf       7.75299088       7.79493344       4.80515289       3.77786129       0.15542844      -0.28676471 
Hf       7.77836544       2.39101898      10.26565442      -3.07308409      -1.06432902       3.53926191 
Hf       7.63336660      10.11421468       2.47866179      -0.02222724      -0.69857524       0.29772905 
Hf       2.62297248       2.87348558       5.28633748      -2.77909573      -3.36727649      -2.73408577 
Hf       4.74486810       2.36981007       7.91461538       0.60067703       0.99138834       0.95415949 
Hf       5.07142034      10.39832418       4.99182573       0.32040280      -2.08383334      -0.30762701 
Hf       2.20602293       2.62580631      10.45016222       0.92376303      -0.72918665       0.44953081 
Hf       2.56280544      10.06358444       2.67858694       4.63971614       5.00458393      -0.47841001 
Hf      10.22365879       2.79933140       2.68158456       0.39462369      -1.05469425      -1.74128813 
Hf       2.57379746      10.46596137       7.63678319      -2.67143449      -2.21966913       0.17830802 
Hf       7.74571289      10.38881030       7.66298982      -2.80920890      -3.19505899      -0.67289138 
Hf       2.46653471       5.54523003       7.78882547       1.01099362      -5.90742560      -1.75134047 
Hf       5.43605103       5.11799451       4.81465703      -4.13578007      -2.00361666       2.28349943 
Hf      10.01666499       5.12148740       5.23134157       3.62473238       1.48285703      -4.14615136 
Hf       2.37045803       7.60546319       5.05741981      -1.97097387       2.44513286      -1.83797106 
Hf       5.28973732       4.81975282      10.30442499      -1.66164706       4.85596797       2.67050010 
Hf       4.95253697       7.67416773       2.43026703      -0.75595930      -2.95408199      -0.34656591 
Hf       5.00663205       7.56780465       7.87631505       5.61257202       1.85099716      -2.78076274 
Hf       7.89250030       7.74163798      10.39080809      -2.33296395      -1.55402649      -2.69916942 
Hf       7.69863728       5.10586921       2.28237774       0.31299346       2.75376856       0.32650511 
Hf       2.51414200       5.23791581       2.28385703       3.12726537      -3.10941526       3.06846197 
Hf       0.16919638       7.47468740       2.20607652      -2.42374038       1.06095447       3.30850426 
Hf      10.32692931       5.31419840      10.35326520      -0.01065544      -1.08024082      -1.49215720 
Hf       7.75344731       2.50515886       5.03182221      -1.12344312      -1.63933037      -0.52298255 
Hf       0.02432711       7.99902947       7.83171460      -0.55300955       1.36067678      -1.12986700 
Hf       5.20294855      10.00010725      10.33512832       1.55807962       2.01038209       1.53670537 
Hf       2.51605637       7.75698666      10.24864999      -1.43771384       0.34050711      -2.02207816 
O       0.81768224       8.56654880       0.52271992       0.80586868       0.78656932       2.51567832 
O       1.58900161       6.30754335       1.08971594      -2.26172932       2.28987175      -2.86464803 
O       1.48747581       1.76234345       6.76496077      -0.10722017       1.69399810       1.14955234 
O       1.44082743       1.09332311       4.42517163       0.11098534      -0.24181019      -2.22936968 
O       3.65980229       3.79106246       0.97507672      -0.27858552      -1.66643274      -0.47364289 
O       1.12445713       0.62966857       9.39064567      -0.63727735       1.54722668      -0.09982534 
O       4.06418842       3.75488971       3.51685357      -1.33184651       0.01902797      -0.32639245 
O       6.35092909       3.74465125       1.46881730      -0.60554641      -0.05159370      -2.45555396 
O       3.68073689       1.02501400       3.85845495       0.52464175      -0.22780911      -1.41379047 
O       0.86754321       3.55809071       4.10508520       1.41683458       0.16908161       0.61397053 
O       1.36105772       1.50563927       1.55125882       0.00641545      -1.86707699       0.03265897 
O       0.89048983       6.12765982       3.56524112       3.06010903       0.03380490      -0.36878912 
O       4.05222796       0.66532671       1.08494524       0.05768550       1.68075082       1.63618190 
O       1.06601125       4.97418673       6.37638446       2.44420501      -1.87904387       2.19129759 
O       0.79094769       9.68151685       6.58378164      -1.49418561       0.70527463       0.22197896 
O       6.21271581       1.37710617       3.63369059       1.17459876      -2.16060508      -0.74451771 
O       6.41684794       8.63232960       9.15982273       0.76287090       0.54701191       0.77904350 
O       9.02325306       1.01583838       6.85398124       2.77970069       1.30810930      -1.54158472 
O       3.48796068       3.86259643       8.78353375       1.66136785       2.34094490      -0.44352617 
O       1.85530790       8.61385948       8.43649318      -1.15191823      -0.17772279       0.65110106 
O       0.97814028       3.93591132       1.34579068       0.11714833       0.76447009       0.23817141 
O       3.14041073       9.13181016       6.20557880       0.44080570       0.52235720      -1.45591735 
O       9.65215833       9.07616399       9.62823040      -3.17147945       3.11534329      -2.74256811 
O       1.27136124       6.29061762       8.98085867      -2.98038383       1.17608502       2.23981430 
O       1.18688006       8.95680629       3.21530361      -1.36913838      -1.41457966       1.75087965 
O       3.79473296       6.37613265       3.90850809      -0.31585433      -0.78474587      -0.89304364 
O       3.30117334       8.61331859       1.27428706       1.83180091       1.47504113       2.16981515 
O       3.94702067       8.81135709       3.69775786      -2.51403660       2.21937850       1.32385183 
O       1.01666563       3.72365490       9.18124495       0.08300724      -1.04321697       1.50561906 
O       8.81704997       3.88790715       0.82718450       0.20568530      -0.55473268      -1.57717340 
O       6.90403553       0.43702885       5.87883858       0.69068489       1.79372711      -0.80467008 
O       6.19171213       3.72087047       9.16427620       2.90267122      -5.21032762      -2.08997491 
O       4.31069485       1.27277731       6.17943967      -1.79224620       2.71621411       4.11776919 
O       3.81265664       4.11392841       5.94691514       1.22820255       0.51494086       2.45822737 
O       9.40287835       4.46305363       8.25757883      -0.82402977      -0.58990117       2.62505218 
O       8.34900371       5.80337718       5.79624499      -2.99500112       0.60977672       2.33413254 
O       9.43419186       3.27156907       6.15806968      -1.49719975       0.52105019      -0.85302413 
O       6.19674250       1.05556023       8.77875760      -0.42742176       0.40951191      -1.05964417 
O       6.74860880       0.71884593       0.68139850       1.75112423       1.88255083       1.13116507 
O       9.21807279       1.30382341       1.43090359      -0.81079932      -0.97486180      -0.75171517 
O       6.02001642       8.87925227       1.44960983       1.08189269       3.06297180      -3.75298441 
O       8.59502859       8.47549569       6.70788575      -1.39577568       1.54873189       0.91031224 
O       0.23359407       7.22311417       5.96018367       1.69880789      -0.54219896       0.14692963 
O       5.77317131       5.82609469       6.83613836      -0.50603330       2.06824706      -1.93117903 
O       9.40604825       6.89610016       9.44978744      -0.21660772      -2.65764692      -0.60729776 
O       6.57070987       3.54152984       6.58397149      -1.44938565      -4.79521289      -2.38665823 
O       5.50443676       9.24270656       6.83193607       0.60367189      -1.28225724      -0.79371675 
O       6.64356781       6.07985849       9.07194056      -0.16174886       0.07572634       0.08510847 
O       3.68352822       6.81145655       8.96648093       0.34812372      -2.60040713       0.88367291 
O       6.59935210       6.50769613       1.10710867       1.01701736      -1.57655540       0.55907035 
O       9.39711462       6.15844144       1.50583824      -0.86395601      -2.04509370      -3.11770868 
O       9.08351503       1.32724991       3.88951445      -0.94107083       1.48528077       0.30579281 
O       9.06900825       9.15666581       3.77398278      -1.54041769       2.07450011       1.46289701 
O       8.58849046       8.57406374       1.47511010       1.16369553       2.70041334       1.64519629 
O       6.49518536       3.70600209       3.92980000      -0.20392989       0.01417122       0.58536397 
O       6.67691648       6.20665368       3.86671006      -0.94099597       1.75269149      -1.26560047 
O       6.27351365       8.75590099       3.60849541       3.26026401       1.57728129       3.65204879 
O       8.94084335       1.38423742       9.20409936       1.15152237       0.58139363      -0.65994620 
O       9.02402766       6.73346483       3.63360131      -0.54230697      -0.05061790       0.87679452 
O       8.72284810       3.97464254       3.51102275       3.03076528      -1.51716994       1.57682171 
O       4.15549366       6.18055192       1.14302166      -1.36630399       0.12780303       0.73598442 
O       3.82219962       9.55745366       9.11408523      -0.23571931      -1.38925591      -1.08655643 
O       3.28321334       1.56556266       9.15663253       2.66349512      -0.65530025      -2.83802576 
O       3.13810900       6.58624412       6.34302973       2.63253732      -0.09194811       2.24864890 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009726375798829782 0.015891734774713298 0.011057147351928205 0.015891734774713298 -0.01721455626797772 0.007277892698357867 0.011057147351928205 0.007277892698357867 -0.04219164404374263" pbc="T T T" energy=-932.42211739 free_energy=-932.42250239 config_type=crystal 
Hf      10.11763231       0.00662793      10.28004136       0.78104563      -0.48840529       1.06857586 
Hf       4.84598268       2.41949176       2.69700808       3.17563328      -1.36908169      -1.31868247 
Hf      10.18474253       2.41061119       7.39913912      -1.18651424       2.51728131      -1.38899128 
Hf      10.39571402       9.92958725       4.87496443      -2.50954126       0.79191696      -2.13683956 
Hf       7.92304318       5.18491142       7.85402403      -6.03600300       2.35116104      -0.09450615 
Hf       7.88818623       7.56406539       5.16655046      -2.60784525      -1.52655429      -1.47239211 
Hf       7.58117648       2.31267623      10.45995346      -0.35900091       2.71185612       0.67906527 
Hf       7.50594711       0.12333328       2.35062688       2.27509240       0.91823821       2.55356254 
Hf       2.39026165       2.46803106       5.29442649       1.61783095       0.06810469       0.67920185 
Hf       5.56199385       2.73926818       7.86959638      -3.71842963      -0.86039204       2.56020256 
Hf       4.86242979      10.25934079       5.22933123       1.08563593       1.12396180       0.12609866 
Hf       2.35375858       2.40961941      10.37213000       3.24838155      -1.87135390      -0.32908770 
Hf       2.47728936      10.12049325       2.52157886       0.82858653       0.49478491      -2.33151141 
Hf       0.19088549       2.32164985       2.63636220      -1.59529490       1.68125410      -1.06290595 
Hf       2.10585575      10.42311892       7.43046048       4.13944820      -0.01894005       2.22574255 
Hf       7.61743339       0.19513707       7.30511183      -1.77040094      -2.65041869      -0.13307582 
Hf       2.90468951       5.23533129       7.86950532      -2.16165579      -0.28551734      -0.35713750 
Hf       4.92547996       5.26243467       5.30076126       4.21766697      -2.23398096       0.31441904 
Hf      10.36155496       5.08633321       5.26774522       2.27671239      -2.79163510       0.04938227 
Hf       2.62666422       7.51213703       5.17557661      -0.62286447      -0.06943277      -2.59810124 
Hf       5.07893361       5.22163218       0.18071464       1.25352630      -1.27373721      -1.07353461 
Hf       5.42523850       7.76868557       2.50613871      -1.09785547      -0.20194169      -0.50692437 
Hf       5.27369232       7.53936014       7.77666741      -0.41675174       4.71907113       1.71990348 
Hf       7.64017560       8.10677314      10.25848936      -0.94373376      -2.84272575       1.92499049 
Hf       7.98548526       4.93563751       2.27056788      -0.34205334       1.77623168       1.68457822 
Hf       2.57058538       4.77937579       2.59802210      -2.26365693       5.44502094      -4.54553898 
Hf      10.41922686       7.57848039       2.49023772      -0.24405827       1.07967818      -1.13661194 
Hf       0.00783960       5.18008053      10.26733770      -2.42661927       1.43743849       2.25908424 
Hf       7.84787284       2.57838877       4.83903239      -2.18449533       2.62295504      -3.90935137 
Hf       9.78276666       7.99545484       7.88881609       4.59261698      -4.29457802      -0.59155005 
Hf       4.91395364       0.05528226      10.09134541      -0.26395353      -2.19493766       0.70714315 
Hf       2.39680899       7.92362542       9.87930700       0.75234126       1.02411622       1.04820346 
O       0.76204182       9.36453742       1.66222723       3.07664475       0.43978921       3.80403729 
O       1.19877102       6.66034702       0.25718080       0.03092795      -1.25208292       4.58928247 
O       0.67917945       1.06492120       5.90871446       1.02058961       1.67003761       4.94365865 
O       1.26661010       0.93517475       3.82805797      -0.12411353       0.25574697      -2.76853135 
O       3.51922396       3.60577859       0.95195249       2.54820445       2.15998187       1.47306361 
O       1.51960652       0.55112958       9.25416317      -0.23119271       3.52410252      -4.01830647 
O       3.62546824       3.61978530       3.58089866       2.93499307      -0.82324078       3.96309916 
O       6.54171055       3.89439107       1.56657579      -4.95828732      -1.10806839      -1.21204294 
O       3.64972512       1.20777468       4.37877298       1.44640296       0.55409364      -1.43504425 
O       1.42824308       3.94232679       3.99545981      -3.12511707      -2.53773228       3.72917481 
O       0.94471720       1.42441863       0.79484112      -2.03901284      -0.11488052       3.28008606 
O       1.51471828       6.51132026       3.37363179       1.09553824      -0.85547158      -1.19998569 
O       3.60592282       1.28732282       1.65582705      -0.79694267      -1.41287211       0.15335079 
O       1.06564462       3.79935682       6.86744329       0.64641168      -2.54681689       0.12411363 
O       1.08132194       8.79893675       6.99321446      -1.92441873       1.01358388       0.09088224 
O       6.47183087       1.30826474       3.65372394      -1.26434929      -0.05318873       0.49815974 
O       6.12455995       9.08559477       9.35542471      -0.73840374       0.10459188      -0.68043082 
O       8.48613772       1.18902678       5.88627963       4.32554578      -2.87738429       3.22084831 
O       4.19795535       4.17364687       8.94554780      -0.85408558       1.52073161       0.80533229 
O       0.85485755       9.10969895       9.95016725       0.73151861      -3.57942249      -3.21750679 
O       1.03662457       3.98249920       1.62365196      -0.63025751      -0.40418840      -0.16991612 
O       3.60264554       9.10384321       6.03748943      -2.50810650      -0.36775201       2.71170180 
O       8.69458915       9.18257238       8.81532389      -0.62669377       2.79587946      -0.87334007 
O       1.29872574       6.82116939       8.54464597       0.66501456      -1.41218052      -2.70243746 
O       0.87285230       8.32409331       4.64172631      -0.72239278       1.51657225      -1.26498104 
O       4.26651388       6.55896334       3.87167178      -0.91428392      -1.03174964       2.34541695 
O       3.77170104       9.24084441       0.93851933      -0.71732015      -0.41626137       0.31982770 
O       3.49255315       9.02766875       3.74755949      -2.17505578      -0.55018415      -1.22636597 
O       1.20697642       3.72694841       9.73082574      -0.03067363       0.75052103      -3.75144801 
O       8.79012640       3.68482520       1.00852125       2.00425942      -1.22164744      -4.00494114 
O       6.29809708       1.57224491       6.49889447      -0.73409971      -0.98119044      -2.95086661 
O       6.78741631       3.87207525       9.37329982       0.46838858      -1.21910804      -0.23661834 
O       3.49036854       1.50628001       6.86130999      -2.46875879      -1.42861564      -0.71420458 
O       3.89933624       3.90255010       6.55532205      -2.10060562       0.80388858      -2.81600325 
O       9.43742006       4.48942866       8.51175301       4.66873741      -4.43530966       1.73085395 
O       8.86177728       6.46478241       6.50254875       1.49835212       0.47004798       3.77640893 
O       8.81055549       3.83853422       6.17057962       1.44709737      -0.76387412       0.52342367 
O       6.71586267       1.02943513       8.75430018      -2.08615792       2.07398626       4.01089963 
O       6.26602121       1.43327911       1.20099561      -0.55926232      -0.84435671      -1.50357845 
O       8.85258733       1.02440748       1.02717265      -1.10485459      -0.40242991       0.26472867 
O       6.53396692       9.31358555       1.35178320      -0.85374906      -2.38627547      -0.53694154 
O       8.88181639       9.02657660       5.94837570       1.16687246       1.80514853       2.81397877 
O       1.47609832       5.93808753       6.00377403       1.18919422       1.59395456      -0.00064937 
O       6.26106913       6.63427885       6.40282815       2.02043517      -1.03632125      -4.38324828 
O       8.98140092       6.59239511       9.50676805       0.96869337       1.10718627      -2.55083769 
O       6.14196534       4.32932845       7.07567577       2.26750141       1.83568838      -2.14805172 
O       6.08567613       9.12963402       6.66839343       1.85756755       2.12817107      -0.27931388 
O       6.62176473       6.71205434       8.82242175       1.53677437      -1.71542732       0.53411258 
O       4.07623627       6.73334185       9.37532744      -0.74179714      -1.09867063      -1.27982236 
O       6.88192066       6.50218819       0.96635168      -2.61181533       0.28077342       0.44910657 
O       9.41001724       6.12040068       1.59891227       1.39498748       0.04415264      -0.41564766 
O       9.01280842       1.54365419       3.57050111       1.12911973      -2.89969671      -0.82971258 
O       9.08240634       9.12874932       3.22222303      -0.37401230       0.32398344       2.49466748 
O       9.28865192       8.62515931       0.76771806      -1.95792949       1.05962559      -0.53166763 
O       6.42998805       3.90565270       4.25884017      -1.68184106       1.83002027       0.36957096 
O       6.85237342       7.00587909       3.60225222       0.48254547      -1.63597100      -0.82122649 
O       5.70225118       9.17973834       3.89606315       3.08888909       0.42595473      -0.67498470 
O       8.99880223       1.27430161       8.56399055       2.62920841       0.70045408       1.30147016 
O       9.37423812       6.31544711       4.34361199      -2.06484901       3.45423066      -3.79060696 
O       9.23244037       3.74357742       3.27988572       0.54163342       1.24806573       3.56608769 
O       3.98975500       6.10113439       1.48331623       0.47778926       0.84751330       0.60051276 
O       3.59594591       9.44311681       8.79400978      -0.89663448       0.09283138      -1.28376726 
O       4.26797528       1.72073434       9.27965298      -1.01929099      -0.16007773       1.32820592 
O       3.88444849       6.54041849       6.53882313      -1.13427804      -0.64305567       1.75977551 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00893134281466105 0.0027454881458722135 -0.0034999064068230354 0.0027454881458722135 -0.012923394531659865 0.00036511421550260083 -0.0034999064068230354 0.00036511421550260083 -0.03073023407083285" pbc="T T T" energy=-937.15459794 free_energy=-937.15460091 config_type=crystal 
Hf      10.11730012      10.44161615      10.23026370       3.90643454      -0.41344344       1.23537585 
Hf       4.94455775       2.44792895       2.71640404      -1.14420564      -0.25998436      -1.44854339 
Hf      10.11510839       2.38391746       7.31524646      -0.44941839       1.37622267       0.07732410 
Hf      10.36682751       9.92073316       4.83058146      -2.86538175       2.24230115       0.61053024 
Hf       8.00702962       5.25827132       7.82303833      -3.05761594      -2.72496565       4.87266081 
Hf       7.92892644       7.48437564       5.18286098      -3.61224871       2.36071705      -2.48072361 
Hf       7.52381584       2.39241361       0.01287636       0.43291393       1.15369911      -0.40543786 
Hf       7.49715278       0.15237960       2.40061848       2.37995581      -0.82838549       1.00549344 
Hf       2.45185021       2.41196949       5.23727894       0.22972197       0.41773045       0.46542126 
Hf       5.57948004       2.66771077       7.86865767      -1.94150305       2.52122989       1.60428232 
Hf       4.85767489      10.27158164       5.16265190      -0.04928644      -0.29930587       0.74266554 
Hf       2.35885206       2.46631063      10.36279258       2.02586225      -1.95261106       2.05144053 
Hf       2.43033129      10.08148007       2.44954127       3.44278407       6.29760233      -1.76578868 
Hf       0.19815520       2.28499470       2.66192516      -2.32480520       1.57026577      -1.76934870 
Hf       2.11042927      10.36110062       7.48067228       1.43162382      -0.38170534       3.33130745 
Hf       7.64005775       0.21537849       7.36443016      -3.17864443      -5.92890030       5.64916119 
Hf       2.87547772       5.17761051       7.87534002      -5.36346507      -0.64777748      -0.39602450 
Hf       4.92639680       5.30030452       5.32681404       3.13617971      -2.99564327      -0.54172389 
Hf      10.42027473       5.11793339       5.23154797       2.07498146      -0.51816873       0.48414494 
Hf       2.70658130       7.56131509       5.18350518      -2.59106503      -0.18359804      -1.61192293 
Hf       5.08162206       5.26668928       0.20488958      -0.22476832      -0.11594157      -0.24377087 
Hf       5.45334150       7.80445810       2.48829248      -0.36812623      -2.10824405       0.98346192 
Hf       5.21264182       7.57005970       7.78057004       1.50756494       3.28908183       0.48947058 
Hf       7.62836784       8.04868970      10.28963971      -0.21008818      -1.31784301       0.40432145 
Hf       8.02226464       4.98352613       2.28553863      -2.88695926      -0.73725144       0.34281757 
Hf       2.53504562       4.80191778       2.57775127       0.85392069       4.57292364      -1.29042151 
Hf      10.36991588       7.59511631       2.44735467       1.20113609       1.72813412      -0.75433198 
Hf       0.01113980       5.21800313      10.29949437      -0.10833809       0.93695967       4.85933385 
Hf       7.89446941       2.65130972       4.77109137      -2.01610743      -1.39826165      -0.55500796 
Hf       9.78317882       7.86660294       7.88954569       4.83333808       1.64009097       1.47616096 
Hf       4.84474537       0.00060568      10.04504304      -0.09902794      -1.72996273       0.11679479 
Hf       2.40183685       7.90625424       9.90683645       0.99514971      -2.02455026       3.45448355 
O       0.90366720       9.45257438       1.83747297      -5.43539178      -3.64774716      -1.42865811 
O       1.18969997       6.49260230       0.66102332       2.12277423       2.92881467       1.17692935 
O       0.58988874       1.27205337       5.88422344       0.95108548      -0.06526245       2.78233373 
O       1.04794827       0.98145744       3.71940154       2.52842228      -1.19227924      -0.16194986 
O       3.80383217       3.81625262       1.08413316      -0.92717001      -1.17154606       0.51702833 
O       1.43530986       0.84353208       9.18645272      -0.11635200       1.85209337      -2.11651362 
O       3.58684503       3.64124331       3.77558055       1.55191947      -0.30938519       1.18753858 
O       6.28215130       3.95709523       1.32282877       0.76734268      -0.26339854       2.30502616 
O       3.60978170       1.17103277       4.13026102       1.18573244       0.81358486       0.85452530 
O       1.18020273       4.01949450       4.10284167       0.05675605      -1.87748533       1.13664059 
O       0.86426740       1.50017665       0.96696269       0.52382700       0.03983549       0.08495477 
O       1.93428124       6.60547859       3.39691730      -1.59868566      -1.30923869      -0.82758747 
O       3.55822416       1.23029459       1.74588901       1.13694981       1.23551226      -1.86898879 
O       1.10958832       3.66920104       6.68839005       0.42109449      -0.90189524       0.84213775 
O       0.71762118       9.17531982       6.95486243      -1.03312060      -0.98405668      -1.70945471 
O       6.22572822       1.14183667       3.88536293       0.79970354       0.45991911      -1.50272935 
O       6.12112096       8.82471468       9.29937831      -2.61798541       3.23466917      -0.82950020 
O       8.40201061       1.21367123       6.14800392       5.33489131       4.10034741      -3.40691641 
O       4.07302974       4.42741559       9.05025522       1.48453386      -1.64814523       0.87680351 
O       0.95643432       8.96342658       9.58844889      -3.66514449       2.35113608      -0.82084709 
O       1.06556372       3.96512646       1.75595237      -1.51321716      -1.35107928      -1.90912116 
O       3.69934087       8.97992131       6.23216085      -1.03647339       0.11458137      -0.09364027 
O       9.03087297       9.34774157       9.03911207      -3.55164906      -1.61617878      -2.92716612 
O       1.23702729       6.80642953       8.53748751      -0.14415875      -1.98187258      -0.52565035 
O       0.95910279       8.44467859       4.39355837       0.27071101       0.14390379      -0.24008032 
O       4.22203818       6.74699135       4.25248896       0.88823034      -0.72544795      -1.07596224 
O       3.43689097       9.20624096       0.83270312       1.62310414       0.31117067      -0.30575361 
O       3.44888178       9.19119025       3.62168146       3.49689041      -3.84681765       4.14157283 
O       1.24705579       3.76538270       9.68330762       1.68938818       1.06434045      -1.70882283 
O       8.74854618       3.71902057       0.84007572       1.45947278       0.59645516       0.59321746 
O       6.19953865       1.35344513       6.55585771      -2.30511259       0.70181955      -1.54430079 
O       6.71220128       3.82881530       9.39898461       0.22418554      -0.48439464      -1.41821856 
O       3.41536346       1.02229844       6.61197161      -0.09345172       2.44252662      -1.24213568 
O       3.99841254       3.89146681       6.45503523      -2.02071573      -1.19363768       0.06711259 
O       9.72915963       4.42729230       8.85853244      -5.08233305      -2.64860517      -7.59123434 
O       8.93794609       6.43344587       6.64043109       1.70606832       1.13264409      -1.19840124 
O       8.73175212       3.71871276       6.29315012       2.55532917       0.70462182      -0.01341894 
O       6.52068269       1.13602898       8.99673390       0.46993481      -0.59687865       0.27120805 
O       6.35561670       1.35446810       1.20922320      -1.85393145      -0.05544835       1.37663370 
O       8.87828394       0.96026265       0.92816093      -2.44893480       0.09970757       2.30488287 
O       6.55476012       9.28463792       0.99338671      -1.46374814       1.41299845       5.14445024 
O       8.89467757       9.08774787       6.07537519      -0.73111783      -0.91837182       2.16062898 
O       1.41038063       6.04802157       6.13818296      -0.46113146       1.02309883      -1.61239152 
O       6.20726752       6.44359767       6.17486950       2.21599725       3.07337448       0.35582542 
O       8.80569687       6.73448183       9.36630495       3.13821936      -1.27293944      -1.80027160 
O       6.44112660       4.34701445       7.08807717      -0.94433401      -2.05041564      -1.03373611 
O       6.21279231       9.19951517       6.82681025       0.57008216       0.50734125      -0.65199944 
O       6.55384506       6.68082885       8.83759303       1.37504869      -3.12601821      -0.71152608 
O       4.05902366       6.84923702       9.45931011       0.28129939      -0.41953950      -2.08771093 
O       6.64594029       6.65689683       1.09887324      -0.55309924      -0.36121610      -0.06727019 
O       9.38445690       6.06010312       1.51906500       0.20437040       0.45086119       0.16910702 
O       8.94031679       1.06180489       3.77326950      -0.47673326       1.17506406      -1.53828485 
O       8.90359257       9.12676430       3.58543952      -0.07571169      -1.62997660      -0.65331124 
O       9.32682937       8.64072245       0.95547426      -1.43233520       0.00585455      -0.20022435 
O       6.38887598       4.04201536       4.15475119       0.30492573      -1.02143888       0.06321857 
O       6.94054069       6.75134445       3.58875228      -0.74794866      -0.95673011      -1.90363182 
O       5.89384335       8.78806540       4.24546426       1.06169826       1.53598609      -1.48019487 
O       9.08876289       1.28527636       8.71212988       0.71324576       1.24051311       0.06322387 
O       9.30342548       6.49558642       4.10289044       1.91227348      -1.49447355       0.12178800 
O       9.22225173       3.50018217       3.52517619      -1.91898542       2.64455700       0.23351268 
O       3.88650667       6.28206066       1.45712059       1.69826612       0.68998681       1.72343747 
O       3.38415084       9.44718031       8.75240789       2.01224250       0.39172945       0.28168167 
O       4.22808011       1.87374599       9.35035048      -1.28688500      -1.40546429       0.45525186 
O       3.74445020       6.50185358       6.84252850       0.94644115       0.39987193      -2.04735261 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02764608499148061 -0.0010337169501156661 -0.000596565782817844 -0.0010337169501156661 -0.02123544228414196 -0.013998010892707692 -0.000596565782817844 -0.013998010892707692 -0.026583225049641168" pbc="T T T" energy=-927.23152609 free_energy=-927.23154875 config_type=crystal 
Hf      10.11714909       0.05315762      10.14953622      -0.01681561       0.64017951      -0.03663577 
Hf       5.18000696       2.68302042       2.68441284      -1.82595020       1.71951765       1.75032980 
Hf      10.09827989       2.44764458       7.27283972       1.02492362      -1.08608705      -0.53475340 
Hf      10.25630612      10.25160784       4.83092067       1.38898306       0.30049425       0.11422828 
Hf       7.90750066       5.22033071       7.87403332       1.57541135       0.88914806       0.47124400 
Hf       7.92601098       7.38615036       5.00075633       3.08098565       2.98678818       1.45201348 
Hf       7.50108995       2.76199250       0.17121510      -2.26347255      -2.36147735      -2.05979816 
Hf       7.48891871      10.44275027       2.57404969      -1.56556618      -0.80756735      -0.30369650 
Hf       2.75730186       2.16870538       5.17685653      -5.96529307      -1.31070736      -5.17223552 
Hf       5.26806213       2.54514561       7.92149052       0.30308412      -3.21810432      -1.80704837 
Hf       5.03683415      10.35629642       4.97952993       0.74549460       0.55047373       1.18482117 
Hf       2.57579315       2.62327872      10.36834532       0.57119606      -0.66704477      -0.94877191 
Hf       2.46289101      10.29747439       2.18993052       2.76161932      -4.94457450       1.21270692 
Hf      10.41807735       2.27847426       2.48753284       1.35802549       1.16092316       1.71275941 
Hf       2.01689315      10.34690196       7.60484150       3.65413319      -2.26942137       1.44026913 
Hf       7.53988952      10.31146623       7.91973848       2.69206567      -0.12016578      -2.75977822 
Hf       2.38001765       4.64593216       7.87115532       7.43154012       4.13310712      -0.13809662 
Hf       5.26553946       4.90942617       5.46301478      -5.69844966       5.73059089      -2.28239058 
Hf       0.47217853       5.35701363       5.20384435      -1.44874608      -2.22472720       2.26619605 
Hf       2.79354611       7.81990401       4.94253432       0.18029454      -1.41264796       2.75738576 
Hf       4.95160265       5.40622225       0.16516051      -2.71480698       2.68609738      -2.22860488 
Hf       5.48485042       7.77612505       2.87860795      -2.76478921       4.04511081       0.69126941 
Hf       5.10914827       7.89290450       7.78298554      -3.05387586      -2.21185173       2.51539025 
Hf       7.49784878       7.71369919      10.28426029       1.01522555       1.94414186       1.57661582 
Hf       8.04278300       5.17030866       2.32193066      -1.37151224       2.04798774       0.36539487 
Hf       2.44220927       5.23443800       2.37613908       0.98554454      -5.75192391      -1.19479045 
Hf      10.19826528       7.86892885       2.21824494      -1.46781383       0.46678307       1.71992787 
Hf       0.02256450       5.14338708       0.04765962       0.28253612      -1.44871165      -2.93962060 
Hf       7.82325142       2.76610875       4.78487651       0.99188668      -1.47996920       0.66653636 
Hf      10.43637928       7.70591820       7.69898172      -1.73658455       0.14832045       0.45882717 
Hf       4.49888288      10.31254090      10.15114153       2.42728002      -2.94286733      -0.85818024 
Hf       2.28917428       7.68699677      10.28549415       3.24387036       1.95452107      -0.37234756 
O       1.13882000       8.87542918       1.17308184      -1.64506954       1.58098091       0.21576775 
O       1.03302001       6.32400584       1.38453226       0.82298444       1.82533496       0.17414517 
O       0.72002286       1.82878895       5.55682155       0.19011059      -1.62892907       0.44939678 
O       0.79897977       0.48589218       2.98177454      -0.18884500       0.84259986       0.75742273 
O       3.96723969       3.41907090       1.09848703      -1.72738607       1.57854898       1.73773940 
O       1.25906083       1.45448488       8.23937173      -1.22944872       2.80806894       0.67339660 
O       4.26055558       4.35342102       3.95075616      -0.61901763      -1.93817802      -2.58491912 
O       6.16792099       4.11561221       0.83259825       4.60711041      -1.46653300       1.70052047 
O       3.95473478       1.38856363       3.83059508       1.50979354      -0.47713704      -2.60717842 
O       1.94515845       3.42456722       3.63937635      -1.41568721      -1.42082926       0.84612933 
O       0.93996126       1.45010635       0.25704265       2.47394207       1.09595827       1.90457880 
O       2.08923165       5.78280712       4.03883028      -1.64487214       4.34425414       4.46494078 
O       3.65465753       0.93782301       1.05963922      -2.07466566       1.98722877       0.34709568 
O       1.08698730       4.01552498       6.89481198      -5.41693641      -1.52898256      -4.92431568 
O       0.53716338       9.51790419       6.47836366       0.41186463      -2.45191967       1.99461598 
O       6.46491543       1.16056918       4.10166212       0.55064985       1.56520353      -1.33302519 
O       5.55231324       8.56043047       9.72855813       3.36439026       1.47578833      -0.87223799 
O       8.65350251       1.02674804       6.39560731      -2.14209644       0.90060572       0.76258521 
O       4.21336380       3.62448263       9.08389725      -2.04055928       1.57140300       1.28995477 
O       0.82859943       9.23721672       9.14758774       1.50485618      -1.31979227      -1.38376398 
O       0.92260495       3.86560619       1.66476361      -0.60292603       0.57430973      -3.10959761 
O       3.56756493       8.34618422       6.73226750      -1.51230923       0.76240146      -2.57407110 
O       8.95135131       9.18332678       9.38569892      -5.23260593      -2.01774618      -0.56158809 
O       1.15876586       6.56815476       9.10069927      -3.00387743       0.24675648      -0.96123831 
O       1.52464704       8.62080778       3.77951280      -3.69487706       0.87829794      -1.61052139 
O       4.45382474       7.08003557       4.44484788       2.67942996      -2.17764348      -0.54950614 
O       3.67904398       8.71816531       1.02850908      -2.08183388       1.93997241      -0.58478882 
O       3.89616132       9.21278788       3.51090950      -0.33673182       1.27285092       1.29960350 
O       1.81425234       4.33659137       9.62961549      -1.55618421      -2.55050963       5.33497440 
O       8.91824766       3.97512556       0.51675219      -0.28091606       0.31811910       1.11859833 
O       5.39840756       1.26035969       6.33096911      -0.00962915      -0.17759267       0.91786844 
O       6.97918546       3.51222824       8.67179419       1.32241211       0.50863373       1.43961924 
O       2.84631951       0.30308901       5.89852990       1.69377331      -1.12957212      -1.47595802 
O       3.32775006       3.18537614       6.45097278       4.48093478       3.99826137       6.85532554 
O       9.78794858       4.39106553       8.61257632      -1.92190992      -1.19508164       0.19708536 
O       9.35420267       5.73568996       6.53579945      -0.33830075       3.99276125      -0.85903266 
O       9.44849445       3.59809494       5.77190971      -2.98278538      -0.18064064      -2.08852835 
O       6.22983307       1.17909697       9.28255797       1.36174097      -1.17735282      -0.15293296 
O       6.29833843       1.63463529       1.51839380       3.07294737       0.23987930      -0.72801442 
O       9.22451201       1.30466029       1.33951148      -3.66626290      -1.55955723      -1.69436497 
O       5.76902721       9.70519349       1.67675222       2.59730419      -0.16621826       1.36431460 
O       8.49096442       8.77175289       6.66043096       0.46157703      -1.12697437       0.90084908 
O       1.33893008       6.64512895       6.51723586      -1.80398779       1.54256734      -1.59496143 
O       6.68536417       6.23417999       6.01890481      -0.27938953       0.53486964       3.82968442 
O       8.65682825       6.80999484       8.92822802       2.25206147      -0.75989431      -1.71087483 
O       6.19974484       3.64689035       6.32685799       3.97266201      -3.71601838       1.75128617 
O       5.95905730       9.25857939       6.81786490       1.37877725       1.49333110      -0.28055269 
O       6.39732555       6.53398576       9.13349228      -1.63184757      -4.23244467      -1.08378815 
O       3.65232032       6.32947820       9.44285285       0.13828931       0.31584470      -0.32899328 
O       6.56131165       6.87865154       1.67899712       1.29845605      -2.78701743      -6.72877707 
O       9.08988099       6.44014905       0.91443608      -0.22070877       1.10988952       1.29196823 
O       9.09206529       1.13670970       4.22419851      -2.27463255       3.32109437      -4.57747613 
O       9.08015925       8.91521382       3.92357387       2.12765961      -0.22679036      -1.42238132 
O       8.33191554       8.93841948       1.45648424       2.22553809      -0.13963491       0.02684610 
O       6.63583518       4.30069618       3.60497751      -0.93201518      -5.16163002       1.00886144 
O       7.16613963       6.28772926       3.69520379      -1.33321718       2.66986386      -0.44017158 
O       6.79574730       9.10155541       4.12429769      -2.67932375      -1.38153365      -0.19444415 
O       9.18498075       0.88759185       8.54080802       0.57179618       2.27662401       3.17902333 
O       9.54701436       6.42850049       3.75364360       1.77455979      -1.26162330      -0.09482651 
O       8.75796859       3.52167033       3.02156389       2.20439362      -2.18647921       1.08033123 
O       3.78037783       6.40493762       1.49484590       1.37942763      -1.13891141       0.76610211 
O       3.39529923       9.06479571       8.89743614      -1.49702881      -0.43150719       1.04467421 
O       3.83351630       0.92303856       8.51838597      -0.60343698       1.69823310       1.45588598 
O       3.53523536       5.71099590       6.77132861       4.45811450       0.63440110      -1.74713213 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0344179165668175 -0.0025448288765842417 -0.006375286580389478 -0.0025448288765842417 -0.023524873831438198 -0.00823917441973948 -0.006375286580389478 -0.00823917441973948 -0.03334365003611467" pbc="T T T" energy=-926.41111717 free_energy=-926.41123878 config_type=crystal 
Hf      10.06879587       0.10773289      10.15891027       4.01888828      -3.21093547       6.47962224 
Hf       5.17003863       2.75412338       2.65853903       0.27431123      -2.00982585      -0.72195897 
Hf      10.13132995       2.42423410       7.27424334      -1.27394833      -2.58468528       0.34469917 
Hf      10.32784448      10.37140302       4.88075433      -2.17950337       1.33991870      -2.96769747 
Hf       7.84993855       5.20209409       7.88409385       1.51402048       0.78630632       0.91004580 
Hf       7.97117336       7.42803525       5.01452430       0.25075175       0.15432022      -0.16862193 
Hf       7.54520813       2.76564081       0.15332648      -0.83570604      -6.30058167      -1.71045264 
Hf       7.47643379      10.39204195       2.55513664      -0.11357868       1.01322823      -0.49721517 
Hf       2.73475338       2.14923930       5.16766113       0.18387344       0.23021363      -2.09590844 
Hf       5.20567489       2.49652812       7.90894762      -0.14556297      -2.57585589       2.35408982 
Hf       5.12956887      10.39974256       4.99677310       0.76642813       0.52598840       0.15754700 
Hf       2.65991743       2.63823314      10.34949036      -0.51735865      -6.83739841       0.74394580 
Hf       2.49663205      10.28086443       2.18006854       0.93421009      -2.74701738       1.98573704 
Hf      10.40241060       2.29612844       2.41441324       0.26824591      -0.18349717       0.15219003 
Hf       2.03130658      10.37198410       7.58508885       5.23800806       0.64811997       5.40748663 
Hf       7.53532469      10.24214838       7.95668678       2.47827125      -0.03150697      -0.43808470 
Hf       2.40340029       4.60604735       7.86412936       3.47357641       3.29500181       1.35515404 
Hf       5.26253357       4.86752861       5.44857865      -1.47366741       1.77892178       0.13040659 
Hf       0.48716582       5.39854739       5.24598368      -2.67149729      -4.22252802      -2.06150144 
Hf       2.76437974       7.81837312       4.87668329       3.26339287       4.58148519       3.94172575 
Hf       4.88821945       5.40346807       0.08244592       1.09815235       0.06362206       0.14812802 
Hf       5.45440215       7.79878626       2.97149882      -1.06601381       0.79873584      -4.27573523 
Hf       5.07105245       7.87426001       7.82774707      -2.04239661      -0.98227885      -0.26397318 
Hf       7.51061681       7.67278650      10.27144882       1.12301637       1.96140661       0.98418317 
Hf       8.03621158       5.21519683       2.31774606      -0.86573474      -1.49482993       2.04270304 
Hf       2.44055216       5.20649408       2.37857216       1.53006358      -3.36904163       1.16801245 
Hf      10.15953134       7.94364286       2.20123088      -0.28596437       0.39853695       1.07246737 
Hf       0.01219093       5.09600670       0.03324285       0.30813954      -0.11755248       0.31481684 
Hf       7.82309589       2.72832724       4.81609080      -1.80445230      -3.35661410      -0.34111372 
Hf       0.04393763       7.70841198       7.63535612      -2.31056932       0.27406416       3.13184615 
Hf       4.48966342      10.29274670      10.20121800       1.70247785      -1.67465681      -0.46071410 
Hf       2.28491328       7.67776402      10.33433917       2.02706792       1.92616782      -1.58475354 
O       1.28897145       8.89280475       1.19800134      -3.45702352       0.35135541      -0.45659709 
O       1.00386704       6.27965689       1.63043154       0.63121381       1.81591509      -0.85580172 
O       0.78164533       1.75457690       5.34710434      -1.57408766      -1.41104303       0.98237206 
O       0.69223729       0.45108945       2.84391375       0.75075335      -0.26323061       2.07926490 
O       3.80423993       3.45841188       1.18564369       0.30014386       3.95209807       2.27837920 
O       1.18824045       1.57027675       8.36742275       0.36045197       0.20395174      -1.22047254 
O       4.49763929       4.14262652       3.76595949      -3.57629946       2.08726681       1.41074834 
O       6.26436294       3.98702364       0.66120773      -2.02812821       3.76476513       2.37161877 
O       4.07060420       1.37248168       3.66147280      -3.38094245      -0.08697568       1.23118783 
O       1.87881833       3.35229780       3.61575319      -0.66997739       1.29637599       0.50240178 
O       0.91527537       1.56749797       0.48744359       1.30369285      -1.23030641       0.12604050 
O       2.30996894       6.29223590       4.03824323      -3.20746683      -7.22885886      -2.93415376 
O       3.51543310       1.12621922       1.15667774       0.86222998      -1.89694115      -1.47974943 
O       0.96904296       3.83375692       6.88761814      -0.24681156       2.06636895      -1.76427521 
O       0.59105510       9.75272877       6.58510990      -3.28142468      -4.10966575      -1.53794707 
O       6.30786110       1.24164298       3.87652307       1.19065052      -0.88255570       1.74142814 
O       5.79119724       8.67672262       9.55903364       0.68897398       2.47615407      -0.73710855 
O       8.57345273       1.10073664       6.47817998      -0.48912831       0.87341299       0.41777159 
O       3.97171148       3.47917776       9.12922814       0.87611428       2.48285755      -1.30526313 
O       0.98079995       9.27373120       9.01161485      -1.51731384      -2.20523583       0.31806315 
O       0.71843660       3.82062655       1.40938697       1.15464914       1.26247346       1.96214454 
O       3.56592780       8.33758006       6.72290601      -1.16958621       0.51917087      -1.86686688 
O       8.79925754       9.03980483       9.49410521      -1.29798610       3.36227262      -1.19490559 
O       1.07983668       6.46841700       9.12575536      -1.53608443       1.70893206      -1.07886736 
O       1.34326236       8.54141223       3.66615841      -2.22006377       1.31549562       0.56321253 
O       4.57604055       7.06157643       4.44208062      -0.84262457      -3.09350744       2.11447232 
O       3.63512613       8.73911247       1.07398262      -0.56115508       2.74739259      -0.54564896 
O       3.91906304       9.25723898       3.86561362      -1.40047647       0.43091068      -1.72516459 
O       1.70911759       4.06126395       9.83139692      -2.37168289       4.75257008      -3.36014681 
O       8.80257229       4.01004122       0.70116329       1.85889215       2.81488869       1.12465418 
O       5.23476297       1.42908467       6.28712756      -0.58129213      -1.87357355      -0.38505321 
O       7.02920029       3.29749583       8.71272111       2.14800827       2.32896985       0.78386889 
O       2.76378515       0.19584960       5.83221386       2.11827384       1.40172984      -2.50340190 
O       3.35431673       3.35205582       6.58944019       1.55277597      -1.28238196      -0.09143458 
O       9.75435480       4.65394550       8.80580687      -3.53853886      -2.56991304      -3.69974475 
O       9.35480490       5.86799361       6.36688084      -0.91853176       2.57550452       1.03491917 
O       9.32125518       3.41204546       5.73802361       0.73348062       2.77851118       0.68955683 
O       6.13012127       1.21342893       9.45427315       0.10796682      -1.80679048      -0.80868494 
O       6.51863844       1.77654168       1.62508719       1.94667576      -1.52163581      -1.41256800 
O       9.13882732       1.29439326       1.30425933      -2.94101304      -1.83919042      -2.23951362 
O       5.86861970       9.55181541       1.78922923       0.27195513       1.71759432      -0.27417761 
O       8.56953428       9.09623816       6.82354522       2.07270319      -3.58876560      -1.37445038 
O       1.46430249       6.40606504       6.40603029       0.02799986       3.94155647       2.61496298 
O       6.59828496       6.29878481       5.95524341       0.58076895      -0.38841993       3.90291608 
O       8.68025852       7.02753491       8.79288592       0.75320617      -3.74251037      -4.53066895 
O       6.29293441       3.48723642       6.66418623       1.44817578       4.33300232      -4.67009915 
O       6.14658073       9.19625442       6.76989809      -1.22014940       0.78748391       0.56902824 
O       6.30806666       6.38863703       9.25378848      -0.90847224      -3.75579995      -2.44880942 
O       3.47435096       6.19089556       9.46947970       0.17592966      -0.09587113      -1.13407726 
O       6.39259483       7.09538216       1.37818545       1.31073308      -3.61746331      -1.82471811 
O       9.22035463       6.59542110       0.64982898      -0.72336108      -0.12250596       3.33279601 
O       8.81001135       1.14291815       3.89498251       1.75065686      -2.10944682       0.72711020 
O       8.96586583       8.83488186       3.96425379       2.68955471       1.51884798      -1.27415118 
O       8.40125349       8.85783926       1.26462603       2.31040303       1.56557976       3.84133406 
O       6.72386440       4.16338999       3.79682882       0.42695372      -1.71762335       0.26790806 
O       6.99435873       6.32905317       3.61229024       1.06110494       2.75699564      -0.67719267 
O       6.55468968       8.88069964       4.11068838       1.63461041       2.16994400       2.22749082 
O       9.30610211       0.80001780       8.79614981      -4.36040230       5.58970939      -5.66117074 
O       9.59594248       6.36698121       3.91273905       0.28044045      -0.55116974      -1.82226189 
O       8.71853906       3.25424269       3.14221814       1.90647810       3.59343513      -2.17854226 
O       4.03389474       6.48060657       1.46978699      -2.59441594      -2.59356226       1.99506895 
O       3.33516903       8.90760406       8.89442010       0.83503551      -0.15273065       2.17157916 
O       3.70629713       0.87188417       8.60346288       0.25503802       0.83893712       1.40972399 
O       3.83908997       5.71607170       6.68685351       1.40418288      -0.50669372       1.05725463 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03406827694985674 0.007092527916382888 -0.0007728515033390756 0.007092527916382888 -0.03648972218231984 -0.00039891515186438555 -0.0007728515033390756 -0.00039891515186438555 -0.026757678412879262" pbc="T T T" energy=-927.0788247 free_energy=-927.07911184 config_type=crystal 
Hf       0.11684623      10.33570878       0.01985271       0.62087748       0.88100034      -3.11166590 
Hf       5.00237890       2.64138598       2.64646407       3.43434551      -1.78640749       3.90132629 
Hf      10.46440547       2.34600951       7.91843994       3.16560821      -1.82775574      -2.70222106 
Hf       9.94188702      10.12160476       5.01200466       1.27146874       2.01089046       0.68231262 
Hf       7.78701084       5.08975346       7.68140856       1.80270651       4.23102692      -2.62283871 
Hf       7.50149332       7.85773744       5.20652642      -0.46870214       0.61020272       3.91620529 
Hf       8.09213490       2.43483395       0.00516957      -3.47645371      -1.65167407      -0.85867892 
Hf       7.52461483       0.03540464       2.74815231       2.77317039      -2.10401519       1.92698303 
Hf       2.45930100       2.64532881       4.96788576      -2.55468830       2.21192502       4.23198806 
Hf       5.18432343       2.36881630       7.55279256       2.41404847       0.56871060      -1.91243885 
Hf       4.54030779      10.36014631       4.57364368       3.74454796       0.48895205       4.68886884 
Hf       2.82781412       2.47918866       9.74531734      -2.16381544       0.92191738       5.80551479 
Hf       2.38235109       0.34906787       2.31303470      -2.61449158       1.50937347      -1.33294450 
Hf      10.10018840       2.36751734       2.91969071       1.41109774      -1.29941878       0.84689210 
Hf       2.55959692      10.34600291       7.67034892      -4.09258224      -2.31839726      -0.11296892 
Hf       7.97943664       0.18510260       7.87196132      -5.20670361      -3.45158286      -3.38745807 
Hf       1.89101794       5.31978578       8.05322502       1.84953195      -1.95306267      -1.01177575 
Hf       4.80125653       5.27564542       5.08064985       2.13645548      -2.49642782       0.76819702 
Hf       9.91836591       5.19887982       4.59301191       0.05775656       1.28528637       4.43781807 
Hf       2.24398206       7.20351925       5.31879452      -1.10295366      -0.04342386       0.08027369 
Hf       5.39925972       5.18884284      10.05648637      -0.03297167       0.83784936      -4.01344310 
Hf       4.77101696       7.77032322       2.76534190       1.06502509      -0.16364261      -1.36749603 
Hf       5.15898674       7.73275531       7.39075768       1.93963349       0.22453740       2.15733088 
Hf       8.22380367       7.96781047       0.56774865      -1.13239739       3.20338634      -4.19603075 
Hf       7.35630002       5.37258420       2.20200862      -0.87320186      -3.64557285       0.90853594 
Hf       2.77802337       4.90817546       1.91050873       7.13425244       4.61769853       5.45773515 
Hf       0.56012967       7.77271275       2.24589685      -0.62278569      -0.72947687       3.04964291 
Hf      10.17288862       4.80601520       0.12984179       1.99847183       0.43863481      -4.43491196 
Hf       7.77955189       2.77065590       5.30796766      -2.25252401      -2.10431218      -0.49956028 
Hf      10.14652102       7.65951264       7.83490867      -2.94651838       0.59946246      -1.56221589 
Hf       5.35682629      10.12238156       0.05716188       0.91085602      -2.56997896      -3.12242801 
Hf       2.78376000       7.61843950      10.18653853      -0.09713571       1.79614916       0.20083697 
O       1.34269980       9.22579161       1.16963532       2.48345954       0.87607277       3.88895580 
O       2.31616839       7.09483718       1.77487494      -0.74092481       0.01473516      -0.70107615 
O       0.86827773       0.91562713       6.71451557       2.78305411      -2.03448310       1.14143898 
O       0.96335824       1.08209529       3.99691294       0.86027869      -0.74158698      -0.25249621 
O       4.10196093       3.39738096       1.30188633      -5.85688677       2.04574400      -3.91042257 
O       1.08876404       1.51211754       9.53622883       0.42305729      -1.22445138      -1.66075053 
O       3.37434370       4.03379217       3.79989834      -0.81329923      -1.19940094      -2.39626182 
O       6.16742804       4.04890955       0.91272925       3.07397470      -1.97316322       1.13254822 
O       3.48140801       1.58024423       3.70727143       2.52119847      -3.44608083      -3.09395398 
O       0.58605518       3.65110540       4.53461742       2.73820906      -2.33189367      -1.90503506 
O       1.00052518       1.64092967       1.55295874       0.65829142      -0.98161344      -0.43888653 
O       1.05470681       6.39671861       3.74940291      -1.49729010      -2.58752779      -0.44636377 
O       3.55434193       0.91189447       0.77973200       0.87058628      -0.44189146      -0.21268531 
O       1.95318948       3.48368932       6.78496722      -0.43834409      -0.30819277       1.68137035 
O       1.46375365       8.41253448       7.43154049       1.98394240      -0.22787665      -2.81162023 
O       6.61811433       1.32330111       3.92404663      -4.77849492      -0.52809139      -1.48510489 
O       7.29468278       9.49010848       9.66308619      -1.00133448      -0.22716705       1.81414738 
O       9.04859309       1.40142701       6.47826601      -0.47397039       2.21272990       0.52921603 
O       3.92255446       3.94504245       9.09974946       1.06064136       0.32938314      -1.59064857 
O       1.65835882       9.47322849       9.49012910       2.24923335       0.23548295      -1.11153388 
O       1.34426512       4.28086210       1.19233222      -6.91444196      -2.49321084      -0.88835055 
O       4.00130079       8.44509138       5.54538838      -1.59630747       1.16192375       0.59731790 
O       9.69340970       8.56109319       9.58336023      -0.00769055      -0.00953392      -0.04104526 
O       1.11837857       6.14382560       9.82781434       2.56180354       2.50495211      -0.83023721 
O       0.76810824       8.47368043       4.57650943      -0.04453392       3.05868201      -0.73605611 
O       3.59209822       6.23404132       3.74525264       0.59191302       3.95833387      -0.54852890 
O       4.61759450       8.44325226       0.82722772      -1.79876937       0.60452599       0.16332848 
O       3.74220907       9.50077500       3.08345346      -1.91760611      -0.20623039      -0.93278859 
O       1.20074442       3.74382275       9.40221302      -0.68345829       1.65746239      -2.68448284 
O       8.63813175       3.90325856       1.22530232       2.34756933       1.21715472      -1.16368348 
O       6.61946447       0.99730557       6.27641279      -1.90117369       2.19173972       2.31892424 
O       6.69295436       3.89179765       8.54807847      -3.94408714      -2.99348792       2.90234808 
O       3.57507715       0.81193860       6.17975806       0.62063632      -0.39167922      -1.54379696 
O       4.62073237       3.34505446       5.58515481      -1.05782623      -2.61803776       2.89107369 
O       9.11381258       3.24590825       8.94630011      -1.58289726       2.23576139       3.37052651 
O       8.59434211       6.87428672       6.62489423       1.09668096      -0.28815904      -0.25598520 
O       8.88199787       4.03653996       6.27972502       3.41672966       0.54451577       0.53456081 
O       6.48438560       1.45585428       8.88997427      -0.18098538      -0.32868037       1.27928275 
O       6.46765360       0.62862446       1.29404222      -2.06491396       3.43163386      -1.15803083 
O       8.85460793       1.43663593       1.58812444      -0.78375707       1.36548417      -2.68644261 
O       6.83645297       8.55635273       1.73077655       0.27702026       1.36180155       1.45809637 
O       9.04809960       9.41678479       6.55422289       2.29213048      -1.19261633       1.25742855 
O       0.69330359       5.89222600       6.55216031       0.66271321       1.64846606      -1.06264848 
O       5.99463317       6.71564278       5.93336613      -1.52004015       0.35091847      -2.01124653 
O       9.50859765       5.95260991       8.53484919      -0.51843279      -3.05986415       3.80636843 
O       6.62950627       4.56690251       6.07391652      -0.23375017      -2.21845175      -0.73548650 
O       7.04842461       8.63307333       7.24818836      -3.81799593       1.28040786      -0.82393099 
O       6.30376484       6.46785214       8.53958724      -1.12267460      -1.20736611       0.26746733 
O       3.44659366       6.64038305       8.64896468       0.15798500      -0.18513838      -0.20214210 
O       6.80472259       6.33969457       0.49294525       3.06503465       0.90190093       1.46891223 
O       9.84619246       6.54127222       1.05568195      -1.85015276       1.04877057       2.29880978 
O       8.79593169       1.27038757       3.92007041       2.56902075      -2.02688433       1.55506750 
O       8.56017928       9.03138247       4.06922884       1.54723820       2.67019572      -2.31926331 
O       9.40742832       9.72483625       1.43859133      -1.94016931      -4.10507860       2.31980471 
O       6.30069908       3.76105210       3.44839813       0.20421636       2.66246007      -0.03673783 
O       6.19676322       6.47950301       3.17600722      -1.69228830      -0.07899331       1.30539286 
O       6.07398769       9.04386718       4.11267142      -1.68262961       0.82375908      -0.78666659 
O       9.38886149       0.76594320       8.99487374       0.48836507       1.46331036       2.19334952 
O       8.50054518       6.53406405       4.21443177       1.09596128      -2.85571265      -3.92940548 
O       8.76249982       3.64573247       3.71659304      -0.21986729       3.29162642      -0.51702458 
O       3.97456896       6.10117406       0.64952243       0.50895887      -1.77626484       0.45107822 
O       4.49121168       9.08263262       8.83068890      -1.43966841       1.57651009      -0.66917502 
O       3.61112002       1.37302896       8.46340461       2.30333725      -0.61981264      -0.36440252 
O       3.33872303       5.86180819       6.38770805       0.43201555      -0.07119252      -0.46058627 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015021293319074253 0.003829303829771625 0.0031625067637486774 0.003829303829771625 -0.014257485050926541 -0.008829809114887817 0.0031625067637486774 -0.008829809114887817 -0.007044958984836537" pbc="T T T" energy=-926.08468749 free_energy=-926.08482928 config_type=crystal 
Hf       0.04447549      10.16628319      10.24761917      -0.46252704       4.28124869       4.42724837 
Hf       4.92831107       2.09394312       2.20484454       4.98226497       1.27009447       1.88634294 
Hf      10.43620094       2.39289725       7.98439856       1.97970092       0.55884687      -3.17604574 
Hf      10.35774767      10.44763495       5.10203743      -0.32270074      -0.16068614      -1.68726069 
Hf       7.98202409       4.76417447       7.58060293      -2.01436165       1.95351247       0.61993788 
Hf       7.66509018       7.88441191       5.05576018      -0.00638270       1.33083604       2.12152516 
Hf       7.84497684       2.53112100       0.04405715       0.27756657      -1.37660329       1.67384923 
Hf       7.65212643      10.23142084       2.39833904       1.80686430       4.18416734       1.03297698 
Hf       2.52682390       2.46599371       5.43687377       0.46206178       3.84698829      -3.15927926 
Hf       5.34847887       2.81051925       7.66460476      -2.40304628       0.16976911      -2.18599188 
Hf       4.96901391      10.29826679       5.14348745      -1.31300796      -1.76553450      -0.18504811 
Hf       2.21798884       2.63124151       0.26967933       3.31121503       1.59180770      -0.41854748 
Hf       2.59313784      10.38279182       2.83782075      -1.22450381      -2.10632628      -1.18555858 
Hf      10.22618805       2.78377413       2.22889441      -1.47068366      -3.89382029      -0.11350241 
Hf       2.28965415      10.13855069       7.59809352       5.88577767      -1.02247222      -2.73154343 
Hf       7.49679410      10.38240582       7.86357852      -0.38101125      -1.24701479      -0.79264492 
Hf       2.78459949       4.88146310       7.80802802      -0.60633676      -0.49439603      -1.12285985 
Hf       5.19598539       5.35429629       4.74721033      -1.19634330      -4.00961934       2.33102753 
Hf       9.90949058       5.03876151       5.05647220       1.80886357       0.41888670      -2.21550957 
Hf       2.19491851       7.72726862       5.10444549      -0.94198555       0.04551731       1.21393931 
Hf       5.33950473       5.56738697      10.23266402      -0.46677784      -1.28268034      -1.03093386 
Hf       5.33770779       7.84903783       2.30057260      -2.24395364       2.47199199       0.13132184 
Hf       4.92910388       7.37709165       7.43871611       0.51572513       3.18957537      -1.91767537 
Hf       7.84645101       7.92368853      10.34856180       0.22132572      -1.07410712      -0.45994885 
Hf       7.72223898       5.15420327       2.28052375       0.96125603      -1.75493556       1.95343502 
Hf       2.57689263       5.45714471       2.76491466      -3.96961209      -1.51249666      -2.81957509 
Hf      10.18209751       7.91815327       2.68149371       0.20776511      -1.59976221      -0.51702616 
Hf      10.44722918       5.56692374      10.39118697      -3.16366910      -2.31475578       5.32802411 
Hf       7.70414659       2.01885557       5.19226895       0.38468251       3.76027211      -3.45168662 
Hf      10.25806998       7.42297809       7.77571101      -0.09541178      -1.39089258      -3.80915820 
Hf       4.83683617       0.27188309      10.13138846       1.75951252      -1.45262102      -0.38992173 
Hf       2.49234279       7.48968556      10.42199224       0.21963881       2.19487388       4.10120510 
O       1.75983763       9.02302594       1.29510988      -1.31251396       0.87545222      -0.92397961 
O       1.10019365       6.38444679       1.48881444       0.07995436       3.58829979      -1.69303103 
O       1.79173034       0.66763911       5.73026198      -1.77227110      -2.05991397       3.30211561 
O       1.65810826       1.46239377       3.69242826      -1.51172251       0.73183601      -2.25122259 
O       3.63870777       3.38197429       1.82593828      -2.33721073       1.61784346      -2.15274556 
O       0.82560766       0.50000533       8.45556846      -1.51808842       2.52059348       1.04945673 
O       2.82548403       4.16723705       4.00909539       1.43278845      -2.05442067       2.84673241 
O       6.60093270       3.53503692       1.49108341       0.03793566      -0.67772245      -1.40806043 
O       4.10664142       0.94590889       3.57036380       0.99947509       1.26662089       3.08741127 
O       0.45885412       4.10772750       3.27393035       0.27025038       1.84723148       2.69796448 
O       0.66490241       1.53412827       0.73143112       2.45413318      -0.35116032      -0.27513227 
O       0.88119721       6.28250589       4.14650979       1.03836828       2.38942212      -1.57169275 
O       3.77560315       0.79076296       1.23237443      -3.19339918      -0.28556244       1.11246873 
O       1.05013424       3.54986909       6.36666461      -0.35361391      -0.48337857       0.55848407 
O       0.69019722       8.86912120       6.08021099       0.72370933       0.36716617       3.49813075 
O       6.60248808       1.24358572       3.66120298       0.76466664      -0.36233184      -1.00458320 
O       6.64897204       9.58856884       9.46642504       1.90781884      -2.45105939      -1.14462805 
O       9.23383593       1.27808964       6.44456652       0.26409247      -1.23285019       0.47283522 
O       4.63475216       4.40390934       8.62401012      -1.74425316       0.04653288      -0.54074178 
O       2.29084908       8.72927613       8.94494484       0.04194326      -0.35842509      -1.05128036 
O       1.12379200       4.26401037       0.78936185       2.62264445      -4.40720752      -0.37875357 
O       3.67557674       8.97261172       6.27842439      -1.23127936      -0.69131124       0.89995508 
O       0.01140282       8.53965360       9.45698191      -1.81947565      -5.01148570      -1.87036038 
O       0.85102043       5.78959591       8.74521824       2.75334415       1.42327215      -1.19396479 
O       1.08263911       9.14944371       3.76199008      -0.17323596      -0.18292033      -0.26935804 
O       3.36964783       6.89897753       3.75454893       3.19253166      -2.20615586      -0.37508608 
O       4.34993399       8.79185103       0.83525802       0.21787933      -0.49238665      -1.16235228 
O       3.71288131       9.02262372       3.91244055      -0.80133589       2.00400074      -1.20875793 
O       2.08471361       3.12462257       8.65054592      -2.79170521       0.16216721       0.60433585 
O       9.14360494       3.91949383       0.93496721      -1.84689134       1.03197549       1.57605271 
O       6.33700497       0.92327991       6.03050125       2.47918475       0.62371485       3.29851951 
O       6.79490310       4.36452911       9.33064640       2.37192050      -1.85937625      -1.26465839 
O       4.00575133       1.70136004       6.51725732       0.39900420      -3.25128961       0.66542529 
O       3.94153973       3.87568263       6.12732386      -0.26045618       2.39078849       2.34329222 
O       9.65762535       3.61539452       9.21144308      -1.56431013      -0.46080404      -1.59484870 
O       8.66579015       6.36172446       6.49405982       5.22588969      -0.21979247       1.62675086 
O       8.95212486       3.64183151       6.35395979       1.96374717      -0.24278611       1.61237606 
O       6.61444478       1.52312934       8.58758900       0.16427652       2.21482818       1.12174984 
O       6.51426660       0.58195442       0.92409241      -1.91605203       2.47989992       0.15999064 
O       8.92642145       1.28137331       1.26879848      -2.77047747       2.93395900      -0.96699585 
O       7.23150001       8.43246537       1.58686107      -4.60808484      -0.24029694       2.59204320 
O       8.69331207       9.09129843       6.40204769       0.12820981       0.17766355       0.98737629 
O       0.91535334       6.51965900       6.44813539       0.15471814      -0.48374190       0.93343994 
O       6.71520403       6.29112345       6.13806249      -6.57089386       0.68563626      -0.61868484 
O       8.89823953       6.29155225       9.41181523      -1.86166184       2.04275884      -3.55322573 
O       6.60442559       3.87001110       6.20445389      -0.50881824      -2.13675876       3.33162748 
O       6.18925634       8.90146312       6.45552662      -0.52865510      -0.82657126       0.64029424 
O       5.95221219       7.05438490       9.08082971       1.79240983       0.39176723       0.32245780 
O       3.61010030       6.41055148       9.22156714      -0.16510432      -0.30183427      -2.58267587 
O       7.01505669       6.21734365       0.80374691      -5.51404761       0.24050518      -2.42774246 
O       8.96165895       6.56204428       1.45363890       4.20053370       1.36597924      -0.03038442 
O       9.23888148       1.12044282       3.46476371       0.66453857       0.65921863       3.91279480 
O       8.95794187       9.15038672       3.78363575      -0.47807017       0.29589171       0.74498275 
O       9.10109018       9.42009870       1.13816890       3.06724113      -2.25165810      -1.02510133 
O       5.79495796       3.77896563       3.94991489      -1.01334161       0.31179526      -1.03894800 
O       6.13799153       6.35208833       3.27790865       1.22275454      -0.78215245       0.57899186 
O       6.12316658       9.13577161       3.77562430       1.86974377      -0.83894347      -0.15968393 
O       8.88501318       0.51083377       9.45687254      -0.57275857       0.96858684      -3.29039193 
O       8.87671778       6.79470152       3.86930045      -0.22081672      -2.29517481       0.81589134 
O       8.47109308       4.02302339       3.97580272       0.08051668       0.08542348      -0.82410333 
O       3.77939391       6.21345127       1.09858719       1.80006956      -0.31595011       1.59702924 
O       4.34083332      10.26947835       8.37573229      -2.05464174      -0.79594785      -1.34561187 
O       3.86423334       2.09116173       9.69865798       2.78702556      -0.84810038      -0.44870335 
O       3.44402274       6.36460486       6.55105268       1.39988216       0.88641520      -0.88740243 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.023060244208002366 -0.00763159053206926 0.023004847618857478 -0.00763159053206926 -0.022175306291924143 -0.004903029390153988 0.023004847618857478 -0.004903029390153988 -0.01884283817905527" pbc="T T T" energy=-932.5671272 free_energy=-932.56716395 config_type=crystal 
Hf      10.37360019       0.28200558      10.39690988      -1.70817310      -2.71405294      -1.15111929 
Hf       5.23457730       2.64636276       2.24671154      -2.37741704      -3.82643041       2.57879175 
Hf       0.08168168       2.58531373       7.58614206      -5.64359308      -5.22743224      -2.12227035 
Hf      10.41806678       9.78835959       5.07110573      -3.80697044       3.09964393       2.48556355 
Hf       7.62221162       5.30633860       7.69861038      -4.34253749      -1.61025727       0.01272514 
Hf       7.37233131       7.34799677       5.35629649      -0.42111557       1.15380396       0.42799889 
Hf       7.68624582       2.49857949       0.27261144       1.84364296      -2.09527089      -4.98634826 
Hf       8.06374701      10.03279497       2.74433142       2.43055518       1.08832402      -3.90589046 
Hf       2.34057483       2.64250241       5.33337551       0.50812043      -1.31578495      -0.86009094 
Hf       5.25460176       2.63732269       7.56135549       0.76650942      -1.54598878       2.20767299 
Hf       5.56961659      10.33769254       4.80430010       1.90667612      -0.10169484       3.56578818 
Hf       2.44898980       2.69447316       0.13546057       0.96454815       1.48488979      -1.55444405 
Hf       2.52082456      10.38861898       2.56916972      -0.35618492       0.18107769       0.55324323 
Hf       0.00508752       2.62263871       2.51711660      -1.39175129      -0.52477762      -0.98466017 
Hf       2.44082229       0.29564325       7.86406259       1.08407899      -2.91237248       0.69740348 
Hf       7.92086632      10.26582439       7.46258575      -0.58117847       0.99966654       0.47254725 
Hf       1.96896811       5.27834496       7.77705047       1.10214508      -1.42262107       1.24694287 
Hf       5.01864903       4.82967446       4.87058809       0.24871593       0.37724314       3.15210702 
Hf      10.09130752       4.81821899       4.77239190      -2.12771048       3.38142907       3.58168874 
Hf       2.65342002       7.57392979       5.28429437      -0.79744838       0.64027542       1.70160935 
Hf       5.05776362       5.14889785      10.39373078      -2.60803611       4.23782005      -2.86723773 
Hf       5.27543285       7.95366289       2.38112152       1.68926247       1.58056633      -2.84072354 
Hf       4.71474177       7.97449607       8.16407903      -1.87960046      -4.17987168      -0.65627595 
Hf       7.89018455       7.82803374      10.14008891      -3.80114570       2.11542873      -0.61359018 
Hf       7.28095552       5.19806733       2.47297551       1.53452997       1.14986503       0.49661774 
Hf       2.58856432       5.20132807       2.43631105      -2.87735019       0.31701688       0.75117807 
Hf      10.12817000       7.40211225       2.07131111      -2.65627494       0.86938060       2.50467430 
Hf       9.82931990       5.09931758       9.88651517      -0.55271756      -1.58747965       3.19741619 
Hf       7.58574142       2.46525585       5.01069587       2.89634265      -0.63692234       3.40679294 
Hf       0.09874462       7.87929572       7.96610437      -3.49837862      -1.49740835      -2.49454618 
Hf       5.39284990      10.37958989      10.03471479       0.16568132       1.70775018      -1.27759546 
Hf       2.32533217       7.88332039       0.31546603       2.24657594      -0.17431038      -2.40722724 
O       1.11645007       9.14419481       1.42785175       1.49446450       0.16208494       1.11527082 
O       0.80069455       6.23630317       1.06465912       2.45216180       1.27707142      -1.52541461 
O       1.03972884       1.07540268       6.39248200       1.84490301       1.74513999       0.02611881 
O       1.38232828       1.24879276       3.72244668       0.74378130      -1.14548370      -0.91659916 
O       4.02904124       4.18093919       1.33697353      -0.82548686      -2.05090987       1.38885382 
O       1.55596223       1.47710077       9.19058404       0.47576256      -0.49905927      -0.25384731 
O       3.81832472       3.16462837       3.91696373      -0.26247878       0.89497404      -0.58603904 
O       6.38017993       3.66868611       1.14318817       1.80125748       4.18153994       0.10696896 
O       3.95726049       0.13666063       3.88073823      -1.75456056       0.62839444      -0.99296074 
O       0.94780693       3.57766345       3.97144773       1.59626774      -0.55607449       1.13150896 
O       0.85627970       1.59744260       1.02938468       2.24765341      -1.44062496       0.38210925 
O       0.71987309       5.95999695       3.66037050       1.54983017       1.63236953      -2.30495670 
O       3.60742880       1.72896653       1.54414673      -1.94446789      -2.13348402      -0.30659831 
O       1.15388453       3.88355008       6.61933469       3.17994158      -1.23042722      -4.63419502 
O       1.31966055       9.08552234       7.18431628       0.84312903       2.80218544      -5.02015533 
O       6.54933099       1.15581732       3.52428656      -0.34610502      -0.20499464       1.04306204 
O       6.20957605       9.08622630       8.42770670       1.56277904       3.08741398       4.04967649 
O       8.94484311       0.94604097       6.23582423      -0.18182181      -0.75480446       2.19991395 
O       3.09432292       4.42909928       9.27976172      -0.31227113      -2.35346337       1.25006946 
O       3.57054936       9.43040948       9.23918227       1.05249785       0.48200997      -2.17883983 
O       1.15872001       3.93330231       1.23997028       2.50800747      -0.55961881       1.42712828 
O       3.98789348       8.46969898       6.48819006       0.10651240       3.40928972      -4.35331202 
O       1.17922225       8.72301022       9.31870069      -0.47522425       1.09171649       4.50733786 
O       0.65986481       6.20264303       8.89976404      -0.20146185       1.42498670       1.40155378 
O       1.37624010       8.93096074       4.28096917       4.42939502      -1.25692053      -1.00151201 
O       3.48460585       5.98349776       4.39437819      -1.24466582      -2.42915995      -0.88292922 
O       3.83564000       9.09955071       1.00516495       0.83549295       1.19291287       2.77491693 
O       3.91989322       8.09157883       3.54424027      -3.35826833       1.64047288       3.91127045 
O       0.49477788       3.85688492       8.86801430       0.46012905       0.98305174       3.29580853 
O       9.16078144       3.55749676       1.16218140      -0.16547003       1.35790311      -0.95481622 
O       6.41370589       1.22789228       6.46676167      -1.30910580       1.76759067      -2.68458135 
O       5.75146598       3.94791846       9.15332605       0.05882428      -1.51263271      -2.83717950 
O       3.76848289       1.12092384       6.74952092       0.05842901       2.03937538      -2.28152396 
O       3.98922353       3.89257047       6.29669984      -1.32014798      -1.36297617       1.97848386 
O       8.15979103       4.07704468       9.21401253       2.47331844       0.01868986       0.87891172 
O       8.20107464       5.65611910       5.78961716       2.32342137       0.96405164      -2.34136330 
O       9.09465891       3.41699273       6.41358647       1.64026684       0.04642336      -0.83938865 
O       9.60726251       1.27432087       8.87559413      -1.11372297      -0.57219095       1.25414282 
O       6.30718268       1.24928111       0.96665708      -1.74274062      -0.23587360       1.41033243 
O       8.96535215       1.00031554       1.19668657      -0.96705920       0.29736263       0.48700123 
O       6.73877329       9.05072955       0.96570298      -2.17702870       0.82473691      -0.69676637 
O       8.86922178       8.43897608       6.52086962       2.09819876       2.48856624      -2.59174424 
O       0.66221134       6.30438077       6.21976982      -0.06269797       0.53036326      -0.24085838 
O       5.92200308       6.50690551       6.51681282       0.18841013       0.15107265      -0.36420567 
O       8.71061636       6.80218130       7.95008261       3.70714345      -0.27221617       3.40869837 
O       6.80339517       3.90738381       6.45096106      -4.01688118      -2.91094923      -1.37205515 
O       6.64273345       9.39052876       6.19895160      -0.30155357      -2.21751674      -2.71829769 
O       6.69193286       6.55909103       9.10564905      -2.60773339      -0.93096973       1.02390296 
O       3.83466245       6.74382396       9.47456627       0.66256189       0.31594002       2.14537198 
O       5.88316102       6.59911849       1.23008055       3.46678839      -4.60863245      -0.90598848 
O       8.57410121       6.35042567       0.71183368       1.94081327      -1.90046162       0.91162714 
O       9.05082270       0.60472971       4.11411586      -0.13018617       1.96330033      -2.14155259 
O       9.61676436       8.95499219       3.40323973      -0.07332549      -1.47843648       1.55837230 
O       9.09412273       8.89580970       1.11663699       0.89606131      -0.59747556      -0.45048244 
O       6.30940863       3.73691191       3.82423645       0.01972360      -0.59909342      -1.84261780 
O       6.10566741       6.19575072       3.80047953       0.25084448       1.27577578      -0.77076073 
O       6.89465237       8.73500470       3.62720301      -2.65957454      -0.05897670       1.28391564 
O       8.84528757       9.13609795       9.06956798       2.14249837       1.53963932      -1.30858216 
O       8.64554046       6.35255334       3.27117072       0.47675877      -0.01208253       0.16440355 
O       8.71129760       3.52269695       3.55760717       1.25463540       0.35760010       0.89105731 
O       3.58008428       6.51457943       1.48753536      -2.25162067       0.99950307       0.96096373 
O       4.29429128       1.52976554       9.18044523      -1.52225979       0.08274615       0.72068972 
O       6.68187452       1.38153788       8.92488951       1.67161553      -1.22995641       0.55665959 
O       2.79998387       6.85722262       7.32708446       0.91889122       0.50817046      -1.56256720 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.05558221968407842 0.005097713781344424 -0.003949093038719243 0.005097713781344424 -0.04162320819330233 0.010810203840917264 -0.003949093038719243 0.010810203840917264 -0.03794874218027287" pbc="T T T" energy=-926.82710523 free_energy=-926.82723382 config_type=crystal 
Hf      10.04987728      10.27740472      10.11375532       3.04682813       0.34832778      -1.59229090 
Hf       5.09444891       2.51072468       2.42869144      -2.54211472      -3.46294659       1.56189691 
Hf      10.46165987       2.72165985       8.02328196      -1.04481331       0.35454839       1.22883274 
Hf       0.18354324       0.05874992       5.59404711      -3.16932166      -1.56738486      -1.64592244 
Hf       7.75885582       5.22974527       8.02151798      -0.69086824      -1.60402754      -2.00196224 
Hf       8.23447888       7.43050140       5.40967379      -2.34237206      -1.51899283      -4.95394613 
Hf       7.48977756       2.31133080      10.39372460       4.15035190       2.16105635       2.47837210 
Hf       8.26259298      10.05023752       2.20761223      -7.58921816      -2.88449270       5.83924357 
Hf       2.42795337       2.21586556       4.94576304      -0.21786790       1.45950500       1.51613731 
Hf       5.19049587       2.52396976       7.88937645      -0.85222899       3.22944985      -1.38656545 
Hf       5.08001089      10.30196732       5.07291826       1.16381249       2.11961449      -4.52161499 
Hf       2.28911996       2.47515070      10.32230712      -4.61586246      -0.48877893       1.59608453 
Hf       2.61012250      10.38643542       1.92335861      -0.91599758       2.06895679       1.61132477 
Hf      10.39540788       2.34484598       2.74974401      -1.76445369       0.25639037      -2.23515880 
Hf       2.60329027      10.01450696       7.59915270       0.00692337       3.18483531       2.77582962 
Hf       7.27713913      10.25981700       7.55910138       2.28492759       1.70066520       0.89650457 
Hf       2.48642970       5.43249168       7.42870111      -1.24796714       0.86731675       0.85206789 
Hf       5.22150858       5.34036264       5.02179653      -0.33180812      -4.44667932       3.61164430 
Hf       0.00611320       5.15921899       5.06126216      -0.43107018       1.05452033      -1.83482043 
Hf       2.68720386       7.63129670       4.56218026      -1.82432245       1.20256515       0.65440584 
Hf       4.81851686       4.88287646      10.08167234      -0.77602897       2.39254924      -0.00920543 
Hf       5.39163226       7.94731754       2.36666916      -0.71449181      -2.20236021       3.25371136 
Hf       5.09265385       7.75870741       7.32869563       1.99814557      -1.62530718       1.64328460 
Hf       7.14351370       7.77727403      10.10732478       2.96348883      -1.67801752       1.39928551 
Hf       7.45074649       5.14869847       2.72909315       0.38660623      -0.32203660      -0.70969698 
Hf       2.51720912       4.99011053       2.60682753      -0.49156454      -0.16901455      -4.73483393 
Hf       0.10928869       7.83750984       2.90920348      -2.68531723       3.90959688      -3.25263526 
Hf      10.16539817       5.05454338       0.03486071       4.49157919       2.58233851       2.18405950 
Hf       7.74213847       2.37039094       5.27387087       0.67811043       0.78466237      -1.68810459 
Hf      10.10377119       7.92470218       7.87934732       4.63688231      -0.65196814       0.75134816 
Hf       5.01378559       0.06641390      10.22882543       0.51255625       0.75393019       0.14009829 
Hf       2.50413359       7.81847820       0.03828881      -5.23193398      -2.65229669      -4.47805931 
O       1.34979913       8.94936064       1.39682292      -1.71365222      -2.00003858       0.64938780 
O       1.29817229       6.54232219       3.44226306       0.30789884      -1.66783667       0.44391743 
O       3.38421259       0.58469929       5.71692626      -0.88275458      -0.63914176       1.09853758 
O       0.76713028       1.07152568       4.00844701       3.40802361       1.37432695       1.32581496 
O       1.11693622       3.78796395       1.56567507      -1.04311945      -1.48583079       0.74588032 
O       1.37674687       1.09636396       8.98639267      -0.59262631       0.87487846       0.47871872 
O       4.44063775       4.00158296       3.43577883      -0.16848841       0.23550227       3.68850414 
O       3.83401816       4.20127376       1.20022509      -0.55354098      -0.54295377      -1.01702448 
O       3.21413726       1.54484273       3.30118360       0.96415202      -0.08541487      -0.58748153 
O       1.48621579       4.20408928       4.14595916       1.21322814      -3.60608910       0.34476122 
O       1.27663484       1.14303463       1.29204988      -1.09166796       2.69180362      -0.76383526 
O       3.62443208       6.82465296       1.05420130       4.63890554      -1.26350779       3.69504202 
O       3.63649480       1.47171811       0.63734302       6.19147120      -3.76244587       2.85983458 
O       8.94486205       1.34045898       3.77248967      -2.52726789      -1.34783217      -0.18472489 
O       1.20624933       9.16377561       6.71330358      -1.78704886      -0.04995951      -1.62609751 
O       6.04756890       1.68691763       4.17095412      -1.21027661      -0.69976334      -1.29274638 
O       6.10505650       9.01466397       8.94543602       0.15808871       1.22603701      -0.59281835 
O       1.09874869       1.50692693       6.61975585       0.05205383       0.81984239      -1.03412833 
O       3.71883679       6.21072901       8.93735580       0.01754532      -2.06891456       2.60085070 
O       0.80658534       9.04849177       9.21176868       1.30333680       1.44524081       0.82405383 
O       8.82612375       2.48929911       1.50866516      -0.39340016       0.93358040      -1.04956087 
O       4.19283183       8.38327800       5.50381224       0.83474385       1.56243605       0.62469948 
O       8.83522264       9.28839654       8.76251699      -2.40560541       1.99972295       0.07713001 
O       1.27924919       6.12913859       0.92027015      -0.63597686       1.73063090       0.13741300 
O       1.34145798       9.16273370       4.15587359      -1.41035433      -1.63785211      -1.12244344 
O       3.54184403       5.91552293       3.98070247       1.68395788       3.64170698       1.66411655 
O       3.57245097       9.43918989       0.47543436       0.70457704       0.15495582      -1.54687308 
O       3.73706263       9.12099470       2.91050024       2.61092900      -2.28441953       2.93367597 
O       1.11203134       3.78304420       9.60164792      -2.28983196       1.33980842      -4.50498442 
O       6.28866619       3.72638742       1.75529111       3.97341670       2.94897959      -1.76478720 
O       5.96394009       1.13520204       6.50665349       1.20602488       1.29232381       1.50541664 
O       6.71405830       3.76120501       9.27434797      -3.57567826      -0.15679420       1.54596877 
O       3.38573794       3.61653900       6.71043930      -1.59698744      -1.56762380      -1.42664995 
O       0.59040295       4.51778484       6.67806891       1.37630384      -3.30886328       5.70040674 
O       9.10612254       3.98504061       9.38493887      -1.07302816      -0.92603404      -3.38572093 
O       8.08035069       3.34631584       7.10250503       1.43005736      -0.22774001       0.30042500 
O       5.59164993       4.36322973       7.16013256       1.45192207      -1.41961370      -0.30628432 
O       6.61113934       0.91302942       9.21701643      -0.08775577       1.00952717      -2.21126622 
O       6.31500941       1.24103176       1.22891190      -0.30601103      -1.46574293      -1.27069257 
O       9.23145539       1.46516491       9.39161976      -0.40849621       0.61013907      -0.89227306 
O       6.09922190       9.14337510       1.22530891       1.39651572       2.57472987      -5.61908290 
O       9.28443048       8.69516008       6.22508392       0.62805429       4.50189705       0.75232106 
O       1.25638515       6.90054767       8.73669143       0.30376154      -2.77793715      -1.10261142 
O       8.88312435       6.91875718       8.92267832      -3.21709326      -3.07192780       5.18339477 
O       8.66247006       5.20146800       1.17108740      -0.31936899       0.39690104       1.90850210 
O       9.15434441       6.35515535       6.81273677       2.83307705      -2.28559181      -3.01603477 
O       6.10907834       9.30541375       6.29974236       3.29256517      -2.56146137       2.24915643 
O       6.30660746       6.51983410       8.69809010      -0.74414473      -0.58126343       3.49566721 
O       4.14961752       6.22790990       6.73485087      -0.27851021      -0.88461755      -4.00518627 
O       6.48091752       6.45940069       1.14575532      -1.40781374       0.45240377       0.33245758 
O       9.12031011       6.23321564       3.82780238      -0.23973739       0.46765509       0.26207700 
O       9.73797457       0.23247743       1.51029684       3.59430840       0.79205048      -1.44015551 
O       8.89581399       8.74804359       3.74129778       3.87180566       0.17053058      -0.55511123 
O       8.56227095       8.20364493       1.15866297       0.96909368       1.86605623      -0.80384331 
O       7.09594283       4.25607531       4.84551422      -2.13925611       1.20104037      -2.64493648 
O       6.28060063       6.45672417       3.91681417       0.80123410       2.65705262      -2.69706640 
O       6.82751976       9.27891825       3.51656774      -5.39560600      -0.56617811       1.63946116 
O       8.86092952       0.97486520       6.25235486      -0.10474581      -2.46759491       2.72307656 
O       1.61109995       6.76808451       5.92627423      -0.16384223      -1.63277561       1.25757167 
O       9.40301745       3.56935622       4.72904812       1.14637628      -0.33675859      -1.48468599 
O       3.74300146       8.65396910       8.39261479      -1.88682587       0.67564403       0.38601446 
O       3.96923152       0.82397619       8.34055874       2.12721197       0.89330123       1.85853621 
O       3.71561665       3.35560742       9.36332449       3.82855380       0.82436814      -2.67574045 
O       6.94652390       6.59104549       6.57438979      -3.49130089       0.76782765      -1.57133737 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.05882572131338393 0.0010942475612486483 -0.0044368855391551595 0.0010942475612486483 -0.04188705303070168 0.00892288148784851 -0.0044368855391551595 0.00892288148784851 -0.038042983406889073" pbc="T T T" energy=-926.37277852 free_energy=-926.37304218 config_type=crystal 
Hf      10.05333238      10.28682702      10.11772651       3.53654431      -0.32915762      -1.33878975 
Hf       5.08945653       2.50507743       2.42710226      -2.75807649      -3.24876876       2.01390653 
Hf       0.00274351       2.70401509       8.02828930      -0.82213417       0.85802829       0.78778167 
Hf       0.18890947       0.06022848       5.60057864      -2.96975442      -1.73965964      -1.95500992 
Hf       7.75775676       5.22183774       8.02155765      -0.38812052      -1.55591842      -2.26446589 
Hf       8.22742069       7.43305610       5.40480167      -2.04295022      -1.69104067      -5.10761632 
Hf       7.48057306       2.29640600      10.39083101       3.84190708       2.29656035       2.42315618 
Hf       8.25814129      10.04391196       2.19859089      -9.59004657      -3.82278551       6.68229472 
Hf       2.42518924       2.21678062       4.94555717      -0.02571133       1.19607445       1.84822811 
Hf       5.20103376       2.52483668       7.89392443      -1.07571223       3.09683696      -1.46769535 
Hf       5.08722378      10.30683107       5.07001117       1.10636427       2.03990410      -4.29830911 
Hf       2.29716627       2.46639896      10.32514441      -4.31873542       0.16134570       1.17265636 
Hf       2.60822456      10.38272912       1.90859383      -0.94145865       2.65139292       1.80059138 
Hf      10.38203501       2.33396898       2.75472289      -1.52431835       0.27296950      -1.69793531 
Hf       2.59889404      10.01935396       7.61652230       0.58025170       2.92921402       2.91852522 
Hf       7.28486266      10.27094236       7.55784355       1.93063903       1.45828519       0.37136954 
Hf       2.48279427       5.42883312       7.42950942      -1.20441466       0.83022824       0.59258193 
Hf       5.21898842       5.34798549       5.00609356      -0.89664132      -4.97585756       4.34024606 
Hf       0.00026364       5.15730891       5.06017315      -0.00320632       1.38140092      -1.15898176 
Hf       2.69080560       7.63566111       4.56813700      -2.69801266       0.94105045       0.96817134 
Hf       4.80620819       4.88674414      10.08425717      -0.52440847       2.51119318      -0.42049179 
Hf       5.39099173       7.94547717       2.36434682      -0.99644895      -1.92043583       3.26405072 
Hf       5.09467498       7.75533771       7.33492375       2.15730058      -1.38109635       1.48976135 
Hf       7.14400289       7.78342638      10.10410140       2.68638155      -1.89128509       1.06822618 
Hf       7.45375343       5.15664399       2.73328246       0.24519362      -0.39564268      -0.23024531 
Hf       2.51101428       4.99540548       2.60437038      -0.42005876       0.12758056      -4.35135171 
Hf       0.11414176       7.84145821       2.91180726      -2.04079941       2.94329597      -2.54232327 
Hf      10.16535672       5.05965298       0.03486804       4.49626868       2.61286498       2.50455610 
Hf       7.74495765       2.36448664       5.28141261       0.23000629       1.63693822      -1.80552587 
Hf      10.11126478       7.92990901       7.87031949       4.55813807      -1.01623961       0.44238262 
Hf       5.02018086       0.06703130      10.22528503      -0.02474712       0.35680938       0.08308119 
Hf       2.51011942       7.82649563       0.03393540      -5.16196407      -3.09530129      -4.52250213 
O       1.36036381       8.94952820       1.40167935      -2.18346666      -2.18410815       0.44120243 
O       1.29826921       6.50613939       3.50180757      -0.70103622      -0.58121876      -0.48437707 
O       3.37759220       0.49979758       5.75630010      -1.16693046       0.20975021       0.57047556 
O       0.78655136       1.06417506       3.99473901       3.15811601       1.28728837       1.41305770 
O       1.12459256       3.81862761       1.54993757      -1.22156623      -1.77096120       0.65662939 
O       1.38428693       1.12938629       8.93968317      -0.61621449       0.76130799       0.75450785 
O       4.48959308       4.01271314       3.45734066      -0.56655926       0.14960980       3.27585884 
O       3.81367437       4.22447314       1.18787393      -0.43735913      -0.82052439      -0.51581651 
O       3.20168322       1.52773342       3.30033448       1.24723999       0.19838173      -0.40471310 
O       1.48033786       4.20245027       4.14808161       1.48543947      -4.02396010       0.17881996 
O       1.28776250       1.12087696       1.25924588      -1.79606224       3.24212028      -1.27243568 
O       3.59734336       6.82736276       1.09698294       4.60339266      -1.08739686       3.49267865 
O       3.68910462       1.48384289       0.62794929       5.12265382      -3.25251345       2.57973287 
O       8.94522366       1.32415264       3.81182479      -2.03345696      -1.07033953      -0.85399508 
O       1.22570286       9.13954039       6.75750737      -2.61600435      -0.07496459      -2.67814779 
O       6.09730659       1.68640562       4.19917791      -1.84912876      -0.77554489      -1.85995331 
O       6.08732508       9.03382748       8.93991489       0.84142460       0.80305435      -0.13347258 
O       1.08833608       1.52721765       6.58040252       0.17090043       0.70154196      -0.83994200 
O       3.73278520       6.19910807       8.91315627       0.10709798      -1.88544373       2.99490842 
O       0.84002276       9.05648523       9.16043793       0.70533929       1.93377612       1.75401909 
O       8.85038859       2.48456285       1.52308559      -1.03066686       0.69755082      -1.63012550 
O       4.17098155       8.35811903       5.51095584       1.59233147       2.12402183       0.57674485 
O       8.83964964       9.31262632       8.72780447      -2.10833426       1.91094420       0.44826667 
O       1.27523436       6.17346149       0.89637058      -0.87909937       1.51728651       0.36207125 
O       1.30371917       9.16419970       4.15534944      -1.32424929      -1.91139977      -0.95924415 
O       3.53760428       5.93716159       3.98040115       1.77743872       3.18475731       1.29713497 
O       3.55933954       9.42362508       0.50298391       1.77859208       0.67344719      -2.31408523 
O       3.69070239       9.15947211       2.88783181       3.64754757      -3.38316997       3.91683977 
O       1.08489259       3.76431619       9.56476085      -1.60329053       0.87230628      -3.79550544 
O       6.28937413       3.71819322       1.78565471       4.18435131       2.92233829      -2.07535806 
O       5.97256686       1.16686240       6.51079245       1.18157381       0.79138166       1.37758134 
O       6.70763760       3.77312277       9.29163238      -3.22493415      -0.50395673       1.77448428 
O       3.38748527       3.57971608       6.71881247      -1.67138655      -1.51524037      -1.59088511 
O       0.59799544       4.48513637       6.67776738       1.21904072      -3.22722795       5.40923042 
O       9.12277165       3.98459140       9.39341324      -1.58808113      -1.18494079      -3.41813761 
O       8.08371798       3.34243068       7.11717132       1.30785529      -0.16505247       0.39755165 
O       5.57529210       4.33254472       7.15918087       1.58333695      -0.91284021      -0.32119742 
O       6.58717991       0.92936266       9.16292931       0.14860481       1.36304671      -1.29734990 
O       6.24683939       1.22510618       1.22965845       0.66240507      -1.17541977      -1.86884732 
O       9.23724938       1.42628925       9.35199451      -0.81277151       0.94911004      -0.48078063 
O       6.13007626       9.15739813       1.25674477       1.12071826       2.31857399      -5.86745550 
O       9.26048643       8.70323287       6.21871179       0.98791878       4.77253842       1.10993510 
O       1.28755203       6.87573471       8.72325670      -0.08854566      -2.43938266      -1.00999839 
O       8.88623794       6.93776704       8.94479193      -3.10012741      -2.98733987       4.80572953 
O       8.65480692       5.19025096       1.19664052       0.28660050       0.32758290       1.28476285 
O       9.17823382       6.36216487       6.79670590       2.61014637      -2.37886932      -2.58727855 
O       6.09542089       9.30775849       6.30586886       3.34468399      -2.27007778       2.26756826 
O       6.29855424       6.48003082       8.66998489      -0.68240498       0.04785728       4.20701051 
O       4.13707943       6.27530023       6.71450824      -0.66593873      -1.99949375      -3.93724096 
O       6.49637170       6.46128952       1.17776431      -1.54705227       0.68086430       0.14489777 
O       9.15096131       6.25059780       3.81985927      -0.56495655       0.29401390       0.20772122 
O       9.72136817       0.20793409       1.56030874       5.98938584       1.63894212      -2.86937600 
O       8.86636105       8.72120983       3.73695294       3.88141788       0.31566666      -0.91033400 
O       8.53968845       8.20908516       1.15529547       1.12222120       1.81108010      -1.05567721 
O       7.05451688       4.27322742       4.85070974      -1.57004091       0.82592261      -2.50729576 
O       6.27905320       6.44184102       3.94420244       1.34289190       3.68169134      -3.45788611 
O       6.80442106       9.31542645       3.50440989      -5.44904331      -0.69094713       2.08265044 
O       8.86543574       1.00509315       6.19483001       0.33800845      -3.14202350       3.59337700 
O       1.58805599       6.72577940       5.94738769       0.29091861      -1.10071006       0.77577037 
O       9.38673738       3.58678736       4.75212316       0.89465044      -0.59439953      -1.75955669 
O       3.77458008       8.66133175       8.40560994      -2.40059839       0.82478567       0.52688725 
O       3.97323002       0.80267015       8.35603678       2.31637224       1.28590285       2.10987982 
O       3.71873192       3.39078380       9.34988128       3.14987560       0.27217880      -2.29135861 
O       6.96447689       6.61395318       6.58061111      -3.59487018       0.52973920      -1.25212686 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013698288063298147 0.008776642985202646 -0.007461348302555384 0.008776642985202646 -0.03645922422137993 0.0026584026908801593 -0.007461348302555384 0.0026584026908801593 -0.03773908425889321" pbc="T T T" energy=-922.96908319 free_energy=-922.96968881 config_type=crystal 
Hf      10.01977805      10.20103474      10.39384266       3.58851500       2.76129664      -1.64038108 
Hf       5.16839952       2.41369275       2.23796285      -0.05638784       2.99165707       2.67009393 
Hf       0.11413684       2.60730426       7.79991901       0.83705939      -1.94419909       1.36827793 
Hf      10.11979254       0.04898108       4.75928759      -1.37290398      -3.66030097       1.63499582 
Hf       7.77503772       5.12207466       7.96429927      -2.95922796       1.53183737      -3.16821378 
Hf       7.52500124       8.37076628       5.19399660       0.58107462      -4.44966390       1.45817080 
Hf       7.83235126       2.35047303       9.94914062       0.87058053       1.85029075       2.38003739 
Hf       7.50924763       0.28161959       2.03181911       4.76425710      -2.09496747       6.32845486 
Hf       2.75276393       2.60924229       4.84623272       0.50197616      -1.09043545       1.24287697 
Hf       5.42274775       2.44376078       7.46670001      -2.33996337       0.41799908       2.08534533 
Hf       4.76767834       0.08273133       5.07469616       1.09726158      -1.91899257      -2.55575222 
Hf       2.69142164       2.54367081      10.23149034      -3.57524618       2.59239014      -1.55247410 
Hf       2.26303327      10.00775448       2.24971241       1.89099053      -1.81560617       1.61976707 
Hf       0.51598575       2.16966712       2.70188355      -2.82775645       7.28002855      -0.04239987 
Hf       2.41235057       9.97559782       7.38504115      -4.31798072       1.75089187      -2.60648521 
Hf       7.19256637      10.02671871       8.02965608       2.54861994       5.56661281      -1.39808675 
Hf       2.87653784       5.32736760       7.64212974      -1.76607395     -10.07139421      11.58102268 
Hf       5.39737528       5.00439082       5.33052745       1.36413402      -1.50276436      -2.35531225 
Hf       0.25890092       5.02002837       5.28250601      -2.32389761      -1.76252115      -2.74677285 
Hf       2.44655526       7.71220545       5.17411951      -5.06820576       1.03334604      -6.06954376 
Hf       5.46392210       5.29476057       0.03814386      -1.61185713      -3.45940161       0.83249261 
Hf       5.09635324       7.36193680       2.71263683      -0.05683576       2.51961249       0.41416580 
Hf       5.22957582       7.84632907       7.95267456      -1.43558976      -0.75886221      -1.03397553 
Hf       7.53528062       7.85434472       0.28647905      -1.50435050      -0.06324514       1.33393037 
Hf       8.03263947       5.44764632       2.65844505      -1.96689083      -2.60312837       1.72692078 
Hf       2.75658776       5.07214868       2.28491998      -2.86413605      -0.24912103       0.95169969 
Hf      10.30886099       7.77072386       2.43449663       0.20842164      -5.75787211      -2.84422258 
Hf      10.30045380       5.02387982      10.40570903       0.61516277      -1.27567519       1.91690062 
Hf       7.79589047       2.49678580       4.83591493       0.70163910      -0.19253251       2.06336304 
Hf      10.17302154       7.43807359       8.01463625       3.61924310       4.90801693      -1.44270418 
Hf       4.47120826      10.36138205      10.22904648       0.96129920       1.70445927      -1.11502104 
Hf       2.34344581       7.56190297      10.22271694      -1.69410077      -0.38962611      -0.04787669 
O       0.79996610       8.63138586       0.70580923       0.71365415       2.18256733       2.14264728 
O       1.11625435       6.29939154       1.04617529       0.22387453      -0.30769611       0.82383487 
O       3.77333576       0.85817596       6.43327559      -1.00423977       2.86633873       0.83122677 
O       1.20321675       1.26086709       4.56608960       0.47956488      -0.07771770      -1.71845327 
O       3.76500110       4.32443875       0.75490754       0.94301464      -3.87791869      -1.88504839 
O       0.88264699       1.29445344       9.94885333       1.22986682       0.30422145      -1.71347457 
O       4.19155401       4.00217482       3.32721639      -0.58466415      -1.99418010      -0.45144349 
O       6.65954468       3.99846110       1.31075528      -2.54894933      -1.24648782       0.10370373 
O       3.76901719       1.36388893       3.49818867      -0.65234704      -0.19426285       2.12734546 
O       1.47843647       3.70829806       3.86145289       0.82873222      -0.35070494      -0.33240038 
O       0.97143783       0.83867388       1.54754437       0.96193066      -3.03768321       0.87445556 
O       1.27605522       6.15106863       4.03794662       0.00890162       1.20399515      -0.75261688 
O       3.67140596       1.34114054       1.25409912       0.73553530      -0.40633798      -1.91740098 
O       9.18933909       3.24007648       6.20840405       1.42056057      -0.10192129      -0.59505604 
O       1.06026730       8.77908812       6.28821709       0.80950750       0.75035081      -0.80307356 
O       6.33480979       1.34710879       3.88175052      -1.18595589      -1.30015728      -4.00557852 
O       5.78853443       8.88123122       9.62715573       1.54211779      -0.55270865      -0.02583944 
O       1.49168574       1.25336408       7.15476099      -2.53937860       1.26033115       0.01857882 
O       3.74624850       3.59261023       8.31234992      -0.72469052       0.51401465       0.41151588 
O       1.13784256       8.84205268       8.92719145      -1.42840536      -0.10626315      -1.26671269 
O       1.27567415       3.63849248       1.23265001       0.72265828      -1.11319263       3.12024141 
O       3.53467908       8.83614199       6.08319512       2.60150681       2.10214734       2.42382365 
O       8.55873484       8.86735178       9.40859499       1.19277121       1.17216997       0.46905473 
O       1.24039332       6.28422633       8.86043132       0.43008757       0.77384559      -0.33136298 
O       0.62733691       9.03693604       3.48671374       2.56740746       4.34324379       2.68623820 
O       3.74481714       6.38982097       3.60569706      -0.38530399       0.06992912       3.28473504 
O       3.46892696       8.90659030       1.13354357       0.35924846       1.76585021      -2.04897212 
O       3.36878845       9.07532732       3.70431745      -0.70237937       0.77579704      -0.62914135 
O       1.04169168       3.90359756       9.45323867       0.65875522      -2.40188933      -3.90927416 
O       8.94642947       3.76845526       0.69997464       0.38982085       0.96198035      -0.62139798 
O       6.96924163       1.40875282       6.43359836      -0.95225615      -0.21389106       0.30731694 
O       5.98536985       3.48087423       9.24180291       2.58551977       0.70217596       1.02036167 
O       4.29449296       3.26821549       5.83157971       0.87346075       1.60112956       0.18204520 
O       1.31984486       3.83147769       6.59131207       1.17109133       1.79138551      -0.80492842 
O       8.77566777       3.60782275       8.74671010       0.99056651      -0.55872777      -1.22622313 
O       7.99492473       6.23437917       6.26468122       0.02101395      -1.08657479       1.32098274 
O       6.50504441       3.99745760       6.76888141       1.55001772      -1.95311615      -1.27675736 
O       6.01967114       0.87813250       8.96141686       0.35261224       0.90958147      -1.11142296 
O       6.51906117       0.99384105       0.68607113      -3.51498867       2.85947797      -0.17925926 
O       9.06933280       1.40891463       0.97250863      -2.20717767      -2.93073936      -0.92241954 
O       6.49272224       9.09954066       1.70955288      -0.26498145      -1.79463804      -0.64132035 
O       9.17818756       9.84111395       6.27507070      -0.09619312      -0.94253449       2.36678190 
O       0.09369478       6.55140549       6.40755940       0.33658658      -1.18910480      -0.38108377 
O       7.24299430       8.31199972       7.40877022      -0.20674467      -4.80268725      -2.11844017 
O       9.22913734       6.16226632       8.99060981      -2.13272551      -1.48662717       1.92213427 
O       5.20308545       5.74561736       7.10783777      -1.10324019       3.56247142       0.28971366 
O       5.38776207       9.62153171       6.89700517       3.20360031       0.14042239       1.85078525 
O       6.50542852       6.48948703       9.24648004       1.53684139      -0.09443917       0.02125435 
O       3.74735467       6.62473064       8.98968523       1.11543649       0.69009973       1.00691726 
O       6.39612497       6.39200160       1.44228213      -1.22928364       1.75215460      -1.10023957 
O       8.75914991       6.49554759       1.22001238       2.21854380       1.37970003      -2.22921446 
O       9.23710400       1.52125704       3.49168414      -1.05690521      -0.46112874       1.32848397 
O       7.91436241       9.97461515       4.50157667       2.35463701       3.48538698      -4.96362144 
O       9.10191534       9.11456154       1.77520892      -2.95893883       2.96842610      -2.40653103 
O       6.56642941       3.71717894       4.03483450       0.98861601       1.12349411       0.32782296 
O       6.39053047       6.16052547       3.84294802      -0.46215717       1.86815042       0.84837280 
O       5.75135430       8.99710315       4.48561226       0.97970194      -4.18595664      -1.49210741 
O       9.44552414       0.87221229       8.52557928      -3.32837618       0.28505631       1.51516129 
O       8.99332872       7.16295215       3.72715804      -2.28233451      -0.13945882       1.21375032 
O       9.48381390       4.37604811       3.34802571       0.14272351      -0.40760617       1.86449903 
O       3.72175005       6.50828161       1.26143875       1.88414879       1.84544329      -1.27497599 
O       3.46755337       9.47960962       8.79164610       3.45200150      -4.59397165       3.99276812 
O       3.49876787       1.28201803       9.06587372       1.31107788      -1.01025595       0.93015716 
O       2.95472538       6.50035817       6.47049946       1.23338740       4.95766518      -7.52614700 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025741528508515358 0.02103453120116831 -0.0023575579626882548 0.02103453120116831 -0.04924997096175328 0.007837240331050524 -0.0023575579626882548 0.007837240331050524 -0.033001538165997435" pbc="T T T" energy=-919.76395036 free_energy=-919.76502416 config_type=crystal 
Hf      10.00908359      10.18860110      10.40622449       3.08351521       1.84152640      -1.01920148 
Hf       5.19709763       2.42690769       2.24754497      -0.39765617       1.28005440       0.58427342 
Hf       0.09706773       2.58281137       7.82812699       0.25551210      -1.83888594      -0.37778187 
Hf      10.06334100       0.10481742       4.74615816       0.77551547      -5.11656005       2.92054980 
Hf       7.75843288       5.10953908       7.97741404      -1.51155621       1.93964841      -1.66123199 
Hf       7.53027977       8.35949795       5.26943488       2.82125285      -0.75965749      -0.59541953 
Hf       7.80374954       2.35246527       9.95956810      -0.17273819       0.31687242       2.54574863 
Hf       7.51082624       0.25475411       1.99908355       1.84619667      -1.76558798       4.06751812 
Hf       2.78273044       2.60324170       4.88198809      -1.02034727      -1.25311025      -0.17893420 
Hf       5.44119590       2.50926266       7.49548175      -1.21810817       0.04648804       2.95852421 
Hf       4.83686715       0.10851283       5.07111473       0.07789985      -3.04147396      -1.17527303 
Hf       2.65867070       2.52254479      10.25675731      -2.03152161       0.20217510      -2.80796448 
Hf       2.26922507       9.99839906       2.25145357       0.46148976      -0.99040510       7.82100742 
Hf       0.51513328       2.15802986       2.66127689      -3.13558586       5.59663480       1.35590067 
Hf       2.39015123       9.99556429       7.31419314      -1.54245400      -3.38589519       4.07238867 
Hf       7.22804061      10.04188162       8.03535754       2.76133186       1.90010459      -2.37371264 
Hf       2.89743821       5.31816142       7.65455250      -0.92823681      -2.46070369       4.24455634 
Hf       5.40824631       4.93804453       5.28691825       0.82541155       2.65688882      -1.09985151 
Hf       0.31660590       5.02604193       5.28050393      -5.28779125      -3.03100456      -2.36117738 
Hf       2.38095008       7.68544526       5.16399210      -4.00861230       4.99485510      -5.04280424 
Hf       5.47673513       5.31794122       0.03278045      -2.31464890      -4.26456463      -1.36295592 
Hf       5.10044301       7.39407390       2.69851154       0.35363286       2.79231873       1.57869060 
Hf       5.18553133       7.89439552       8.03795567      -0.96560859       0.44742709      -2.17833693 
Hf       7.54322217       7.82849237       0.28741703      -0.70763874       0.15076923       1.45260378 
Hf       8.00833968       5.41566507       2.68632386      -0.03570986      -1.84528965       0.72763213 
Hf       2.79873985       5.04076317       2.20406973      -3.40496649       0.64882809       2.57450638 
Hf      10.33158551       7.69169683       2.39279164      -0.82455359       0.57052862       1.29558402 
Hf      10.28074051       5.04483504      10.40789563       0.65949877      -0.60116199       2.17583712 
Hf       7.74655469       2.47825623       4.89271772       2.52490878      -0.05827219       1.05064244 
Hf      10.15357073       7.41381765       7.99061077       2.92468091       8.28680240      -5.15957822 
Hf       4.52616251      10.32274754      10.17577478       1.66716912       4.57358517       2.86600467 
Hf       2.31745782       7.56842833      10.27186695      -1.92555517       1.40415178      -1.50171877 
O       0.71640521       8.67587799       0.72627149       1.50941946       2.21717192       0.12915417 
O       0.88433602       6.49130376       1.20925993       4.40203418      -3.85031510      -1.63656517 
O       3.71169099       0.89782350       6.40475121       1.47776161       3.26798608      -1.81574536 
O       1.14717904       1.31026619       4.48969440       2.46958431       0.99960533      -1.36811661 
O       3.71845791       4.16345049       0.76044698       1.71516084      -0.83054267      -2.19588544 
O       0.93274774       1.13445497       9.97602170      -0.02875883       1.45248075      -2.16580974 
O       4.10373987       3.94900245       3.26061891       0.10644835      -0.84179385       1.36124890 
O       6.58324210       4.04533262       1.31540876      -1.91794885      -2.18701453       1.01560298 
O       3.75866256       1.30482503       3.35754398      -0.81173669       0.59407808       3.79149365 
O       1.39166434       3.68157261       3.79902463       3.27723007      -1.41408353       1.34572513 
O       1.10378471       0.72805504       1.63554669      -3.89336021       3.09111514      -1.64023527 
O       1.33957449       6.04178361       4.12926013       1.91950047       3.52974130      -2.81225386 
O       3.70189211       1.44227167       1.15153361       0.62008839      -0.25545627      -1.64343268 
O       9.28389388       3.34553894       6.06792912       0.61687409      -0.93311621       0.67989398 
O       0.81721147       8.65645712       6.28655213       4.06836072       1.40218479      -1.37159895 
O       6.26014234       1.39926197       3.86821887      -1.00647118      -0.72776613      -3.33132119 
O       5.88058613       8.89587354       9.67569472       2.39575227      -1.31859418      -0.54705686 
O       1.56186778       1.09241789       6.97049171      -6.06115486       6.33822358      -0.17468458 
O       3.67553529       3.63517993       8.32789171       0.37982277      -0.45836442       1.21182578 
O       1.18319878       8.83099953       8.74946239      -0.38122551       1.40130392       1.23529931 
O       1.27966847       3.67288044       1.43994388       0.71623034      -0.09282009      -1.10020602 
O       3.54980368       8.90268536       6.25660100       0.36138609      -1.18506089      -2.43485133 
O       8.53039834       8.94812782       9.52305450       1.39874889       0.86698045      -1.36743364 
O       1.15725140       6.55054350       8.83609877       3.95636906      -3.22643730       2.08821978 
O       0.58042604       9.21035637       3.49230908       1.49572027       0.46924203      -0.12451225 
O       3.72598154       6.54424441       3.69209722       0.57146621      -1.29840641       0.50539948 
O       3.41913820       9.06805446       1.31925195       4.71376315      -2.92617006      -8.08615334 
O       3.45878249       9.13607890       3.61524893       0.32873619      -0.35584949       2.86055752 
O       1.02825412       3.90651679       9.32747430       0.10170105      -1.75626818      -1.81551307 
O       8.88238533       3.88662452       0.58583330       0.40472798       0.16409063       0.78761398 
O       7.07116075       1.37681731       6.39735266      -2.39625762       0.57418424       1.42783765 
O       6.14059207       3.43817360       9.38571106       0.13103129       1.23183555      -1.44189740 
O       4.48206925       3.36679432       5.97448134      -3.12207217      -1.78628355      -2.66339281 
O       1.27402007       3.91100543       6.54031467       3.07014719      -0.54363487       1.45453938 
O       8.71096718       3.54352166       8.79473342       2.66108262      -0.05873497      -3.49600756 
O       7.93331921       6.21781745       6.41037910       0.56951680       0.35279593      -0.09262159 
O       6.59418357       4.20025928       6.67774435       1.15275245      -4.84097049       0.05459457 
O       6.06882492       0.86350389       8.92114669       0.18843245       1.79390329      -1.04995698 
O       6.30254437       1.14348217       0.64816004      -0.07389217       0.86116018       3.55139097 
O       8.94395882       1.36518266       1.04839161      -0.62968489      -1.83847937      -1.30974121 
O       6.44954027       9.08404964       1.48914255      -0.46051586      -1.00620572       1.27482732 
O       9.26553700       9.84436004       6.35745624      -2.77375967      -1.65001030       1.90987456 
O      10.45795546       6.56647944       6.31071283      -0.07720713      -1.31221177       0.88500477 
O       7.10041828       8.18440963       7.37802367       1.25573320      -0.30434636      -1.30602332 
O       9.34712763       6.10533071       8.93896508      -4.15981473      -3.64152644       3.24796525 
O       4.89098703       5.55835611       7.15878587       0.69148609       1.84518115      -0.60573730 
O       5.35926722       9.69717335       7.03468845       3.96572987       1.36402490      -0.34361422 
O       6.55815420       6.46293669       9.17364094       0.75549426      -0.68577550       0.90392418 
O       3.81880344       6.76850085       8.89249589      -2.39763485      -1.29852014       3.36604211 
O       6.47912916       6.24993843       1.31222787      -0.39034757       4.60654360       1.86746822 
O       9.00653581       6.52216293       1.23622045      -1.77325682       0.19986542      -1.09272293 
O       9.27205535       1.52632446       3.63974214      -1.27435843       2.77608545      -1.47168932 
O       8.11127517      10.21540065       4.42514631      -2.24347857      -2.13585643      -2.41175677 
O       8.96539506       9.10953735       1.75344665      -1.45068975       1.99198914      -2.18799037 
O       6.65368371       3.85911401       4.05581242       0.83244616      -0.33369709      -0.52746127 
O       6.52952653       6.24214142       3.94319643      -1.30619958       2.21613675      -0.64119958 
O       5.80054314       8.90376296       4.42845949       1.11644242      -1.91112832      -0.56171251 
O       9.23223397       0.87669842       8.36213209      -1.47308868       1.16111250       2.65478177 
O       9.03328627       7.37623991       3.78731965      -2.73086794      -1.02065161       1.47739937 
O       9.55734722       4.43463214       3.33078421      -1.27042790       0.41526016       0.91950186 
O       3.80356172       6.70490582       1.14161332       0.79442818      -1.75798320      -0.26214390 
O       3.78512708       9.37829995       8.85328092      -3.37531427      -4.15489767      -2.46518960 
O       3.42374898       1.26322157       8.92962567       0.87477131      -0.29597429       1.98506324 
O       3.05720967       6.62914780       6.39226556       0.62234879      -2.21200891       0.23716225 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.030672444817889083 0.010937672334308476 0.0035339786178959576 0.010937672334308476 -0.05774751620941891 -0.004117359119062737 0.0035339786178959576 -0.004117359119062737 -0.027504221137615043" pbc="T T T" energy=-920.26798706 free_energy=-920.28280875 config_type=crystal 
Hf      10.02702297      10.19668635      10.41820295       2.24357904       3.23620032      -1.03761928 
Hf       5.24314577       2.47962971       2.27174669      -7.33489468       2.19294070       1.28839033 
Hf       0.05769409       2.49781138       7.87993552      -0.74192205      -1.27698154      -0.95200039 
Hf       9.95566002       0.16800669       4.76938130       1.79042006      -0.42240668       0.73751575 
Hf       7.69874498       5.09466943       7.99229039      -0.61129337      -2.69525591      -1.35898640 
Hf       7.58501831       8.31116159       5.43298903       0.45576386      -1.98630942      -3.33104333 
Hf       7.74337296       2.35883678      10.00988519       0.32922516      -0.05526757      -2.01393295 
Hf       7.51608959       0.15967455       1.99664964      -5.36620136      -0.37549531       3.55631328 
Hf       2.83553294       2.56913236       4.96070647      -0.98893323       0.16562000      -1.38600570 
Hf       5.46306795       2.66065069       7.60918393      -2.30026147      -0.04630670       0.98010702 
Hf       4.99492121       0.11916606       5.04642360      -1.87603892      -1.97941523      -0.24832102 
Hf       2.54985718       2.47318410      10.26001743      -0.04287094      -0.60631384      -4.39302350 
Hf       2.30946803       9.96088035       2.35260751       2.83943295       2.81068715       0.75312881 
Hf       0.46216060       2.22406520       2.60297597      -1.37949405       5.73387375       3.52732348 
Hf       2.30726678      10.02348508       7.20304209       0.18071984       1.89497868       2.38238200 
Hf       7.36307877      10.09818277       8.01549060       2.75282943      -0.21714874       0.03912990 
Hf       2.90934697       5.26478527       7.74779221      -0.60671734      -0.20039857       0.90582184 
Hf       5.44565544       4.83175859       5.17024963      -0.72416242       3.07970028       0.16631582 
Hf       0.38364809       4.98372981       5.23049570      -0.50633066      -4.85628155      -2.13735191 
Hf       2.17983504       7.69366071       5.06967447       5.92533548       0.57978467      -0.76900536 
Hf       5.47380847       5.30844931       0.00355872      -1.70267761      -2.25456671       1.46580781 
Hf       5.11812346       7.51521032       2.69641872       1.85564281       1.85077046       1.55722118 
Hf       5.09711915       7.98786549       8.18282630       1.71507710      -4.00893390      -4.52878641 
Hf       7.55616279       7.78074064       0.30309948       0.38930241       3.10252752      -1.04434718 
Hf       7.94184079       5.31631885       2.76538721      -3.21467455       0.86552035      -0.31022118 
Hf       2.85356474       4.97008251       2.05605527       0.94604565       0.03705144       2.55675885 
Hf      10.35820200       7.53685662       2.33843209      -0.66458330       1.60203504       3.25397859 
Hf      10.25802132       5.07829653      10.44257800       2.85931064      -2.06020379       0.47461053 
Hf       7.67433675       2.44002958       5.03820973       2.16049038       2.35749795      -0.56484505 
Hf      10.14632237       7.46045274       7.86964892       1.21598824       2.55162120       0.40929653 
Hf       4.67675229      10.30121218      10.08274920       0.98757143       5.46838019      -1.10403091 
Hf       2.24186601       7.60914960      10.36457477       3.34362919       2.02355301      -0.50750080 
O       0.82461400       8.94568051       0.88703065       1.06174979      -2.95981796       1.30396881 
O       1.26920143       6.25692954       1.21736569      -0.18233135       1.21963265       0.01212584 
O       3.77620402       1.33963749       6.09941856       0.84732712      -6.08396583       3.32937366 
O       1.27767665       1.38484373       4.12266004      -2.03226335      -3.74968498       0.37046289 
O       3.85574211       3.89038712       0.55454637      -0.63340324       3.27142287       1.52705198 
O       0.96943418       1.02953382       9.67809514      -1.87659753       1.57608720      -1.41058833 
O       3.93769016       3.79288065       3.34578950       1.29944372       1.74615891       0.62009206 
O       6.16053855       3.93746869       1.50809004       2.55981040       4.21313881      -0.96343378 
O       3.62026538       1.24620646       3.57406370       0.76949798      -0.66771363      -0.54962385 
O       1.63739983       3.56539842       3.89692002      -3.56255512       3.88993877      -1.25504870 
O       0.92360437       0.80730060       1.52657419       1.26888903      -1.48141985      -0.89425528 
O       1.59715395       6.25836518       3.90720432      -3.85353085      -0.33761575      -1.47676277 
O       3.82576210       1.50462164       0.81540688      -1.26245398      -2.16717773       2.20198453 
O       9.54769058       3.41261953       5.84192733      -0.35343162      -0.16739775       0.59805369 
O       0.90072358       8.62950142       6.09765940      -0.75266964       2.78637359       1.30753436 
O       6.09502129       1.36939007       3.50102062       3.32840649      -2.02234237       4.18009451 
O       6.35363471       8.82333712       9.54762527      -2.76506522       1.79255110      -2.09841545 
O       0.93537706       1.40219209       6.57054786       1.11620353      -4.02368479      -1.38116564 
O       3.63097461       3.56827998       8.60008753       1.00184467      -0.35088612      -0.28489732 
O       1.18200731       9.02619489       8.55822932      -1.63752574      -0.81795896       0.96196804 
O       1.39440576       3.77465450       1.56015729      -1.25679228      -1.49454516      -3.22370358 
O       3.67198076       8.96870270       6.26834962      -0.71071837       1.15759978      -0.33010883 
O       8.69497441       9.14595366       9.50038388       0.99390240      -2.88672848      -2.29022878 
O       1.35840203       6.60178130       9.03318150      -4.26543249      -2.21285241      -2.28570655 
O       0.68348692       9.55641290       3.44262718      -1.11946427      -2.74422914       0.30526427 
O       3.87862667       6.65609198       3.84060412       0.64540682      -1.86722275      -1.17151190 
O       3.73818419       9.18180070       0.74016464      -4.79597488      -1.24290753       4.82207282 
O       3.65917432       9.23566082       3.76891546      -1.96011857      -0.32676461      -1.66076481 
O       0.99623927       3.73673305       8.94162193       1.03277766       2.43320845       4.19935618 
O       8.72309657       4.09489290       0.52233151      -0.21428360      -1.48116125       1.33824016 
O       6.90517184       1.39812963       6.46864129      -0.27621565       0.07716213      -1.56461231 
O       6.37532800       3.66154146       9.38582117      -1.09660704       1.57649622      -1.91990951 
O       4.45163856       3.29888637       5.85663538       1.85280713       2.13746711      -0.61932968 
O       1.66121735       4.06635984       6.59360542      -0.21454670       0.81344018      -1.62985560 
O       8.90653671       3.34655029       8.43987157      -3.09249891       2.53896466       1.34813749 
O       7.97245809       6.26362267       6.60463324       1.06611651      -0.21674662      -1.67744127 
O       6.84654773       3.87053274       6.44029830      -0.81432582      -0.43803934       0.63104872 
O       6.19736985       1.18124757       8.82078871      -0.17848281       0.55123831       2.38629933 
O       5.99419756       1.47224309       0.97185449       6.44632034      -4.84145534      -4.46470069 
O       8.71429512       1.14104742       0.90005908       2.00676334       1.68288985      -1.41095335 
O       6.23837736       8.97377441       1.35016670       0.16892560       1.53039340       1.87703974 
O       8.97622863       9.58941900       6.69783705      -0.34696727      -0.26012912      -2.51192889 
O      10.22748461       6.44921749       6.30272387       1.90045616      -0.09001332       0.17729633 
O       6.92758249       7.99586909       7.16399396      -2.03966196       1.81810127       2.66358636 
O       9.18748113       5.79625807       9.08432909       1.46257572       4.00749229      -1.93639104 
O       4.76318635       5.34622392       7.12362928       4.60402068      -0.47629780       0.40007887 
O       5.72285327      10.05318365       7.13120691      -4.12180446      -1.58852784      -2.76678510 
O       6.69935517       6.30688555       9.21774415      -1.34173372       1.34575985       1.19838838 
O       3.61256885       6.72561445       9.18623701       2.86960351      -2.67360909      -2.04306570 
O       6.58603522       6.51543128       1.34012543      -1.32469921      -2.67096640       1.59557564 
O       9.16797820       6.59361139       1.09893666       0.13664408       0.10926394       0.53639882 
O       9.22523439       2.03728937       3.72897362       0.36030430      -1.68023966      -0.35147746 
O       8.10980268      10.36723580       3.90471284       1.68873083      -0.81354885       2.23916483 
O       8.62883274       9.22980414       1.40876570       3.97970488      -3.17808046       0.41427810 
O       6.97867241       4.08888436       3.99267664      -0.75035049      -2.00268333       0.43696114 
O       6.64601492       6.61400049       4.02598302      -0.00849619      -4.22777999      -1.29469068 
O       6.01151609       8.59576604       4.24458573      -0.82961432       4.97527461       1.64262391 
O       8.58901712       1.10806863       8.49135355       2.63061147       0.47298917       2.52022223 
O       8.87043722       7.69511300       4.00699524       3.65906865      -1.01311916      -2.93012200 
O       9.55633095       4.68239556       3.42285652       1.92469454       1.06958665       0.39828888 
O       4.08537201       6.76087686       0.90443353      -0.76096476      -2.31889175       2.88794294 
O       3.73684744       8.97256985       8.90232836      -2.66640443       3.39035232      -0.29207939 
O       3.41114485       1.06488593       8.89575904       0.03594420      -1.18681798      -0.32590569 
O       3.27958722       6.60603456       6.25498188      -3.52969772      -0.02984399       0.26784329 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013789047520222062 0.003330334247004386 -0.009336178730738848 0.003330334247004386 -0.0057673879833461126 -0.008529069518675629 -0.009336178730738848 -0.008529069518675629 -0.0347845794130814" pbc="T T T" energy=-927.78451155 free_energy=-927.78491861 config_type=crystal 
Hf      10.20181751      10.44030139      10.44209550      -0.75382547      -1.12234617       2.08546284 
Hf       5.38493327       2.44016648       2.69297105      -1.03843646       1.35448260       0.24677062 
Hf      10.10063761       2.69333486       7.81834361      -0.20071124      -3.33820122       1.85834478 
Hf      10.45559533       0.21938129       5.26703079       1.77524425       0.37148759       1.82045020 
Hf       7.42707477       4.94765166       7.40043525      -0.14802341       1.21983395       1.41580266 
Hf       8.00734853       7.59849281       5.31736013       0.31135333      -0.61363754      -2.14545893 
Hf       7.38841011       2.62119385       0.17623877      -0.23478093       0.09627242      -1.72126055 
Hf       7.79414031      10.02087659       2.81953483      -5.02159159       0.61394126      -6.93022964 
Hf       2.70699273       2.29175064       4.88793854      -3.06791778       4.51409896       0.92210339 
Hf       4.97952491       2.08471748       7.54336943       2.77326331       2.31058971       8.79221255 
Hf       5.23281637      10.32800346       5.22646024       1.23299835      -2.06189186       1.20308181 
Hf       2.60148160       2.45707860       0.08201963      -1.43882721       2.35277521      -3.24188747 
Hf       2.54138803       0.24137967       2.39610336      -0.02836765      -3.20783434       0.16635830 
Hf      10.31012405       2.41050255       2.40852622      -0.55171480       2.64974236      -0.11727414 
Hf       2.14704318      10.41893747       8.00327466       0.32263771      -3.11017375      -2.54754799 
Hf       7.84155429      10.31652214       7.99547818      -2.00898823      -1.65369908       0.27843735 
Hf       2.28299566       4.64744965       7.69019231       0.90079436       0.80065315       0.50809639 
Hf       4.84758160       5.25384882       5.01826157       0.21372673      -1.13281058      -1.52405074 
Hf       0.58355554       5.60602442       4.95262196       0.55298110      -1.48774230       1.86418148 
Hf       2.65898594       8.29778003       4.94939732      -1.78901965       0.27841862       2.23246778 
Hf       5.04682163       5.04543329      10.00016481      -0.72603786       2.54913023       2.95806683 
Hf       5.08951232       7.79588618       2.62626588       0.81263103      -0.25508729       0.86311688 
Hf       4.93470142       7.43084490       7.35790271      -1.01833159       1.82733037       0.41646110 
Hf       7.81937264       7.57539840      10.32913831      -0.67479747       0.30835163       0.35891671 
Hf       7.73266196       5.28759091       2.39413823       0.56068126       0.05802987      -0.22424027 
Hf       2.42234212       4.94689234       2.37393626      -1.51581854       0.67706168      -0.54277115 
Hf       0.14894083       7.98705791       2.33739007      -0.49902474      -3.62989845       1.05450461 
Hf      10.10318320       5.29008815       9.70813669       0.96103772      -1.62085261      -1.36790059 
Hf       7.60681846       2.32800545       5.20013733      -2.17749128      -2.40421072      -5.99440781 
Hf      10.16256109       7.64080619       7.64937194      -1.64773620       1.74566446      -1.73329071 
Hf       5.15754440      10.14643048      10.22955451      -0.81326772       0.79325296      -0.45474255 
Hf       2.88732284       7.71100247       0.22538491      -3.08790981       0.11743825      -3.56511340 
O       1.35435150       8.93522520       1.23783339      -0.54874740       2.20896914       0.51526664 
O       1.05354245       6.35030541       1.36157444       1.55625074       1.55194354       0.03827141 
O       1.60653229       1.51792732       6.42357781      -1.42662589      -1.39743936      -1.29503158 
O       1.30179360       1.45473921       3.61557621      -1.46276710      -1.94319391       0.03950617 
O       3.56152509       4.05474403       0.75159049       1.01488872      -0.13512391       1.09781180 
O       1.33323448       1.44907888       8.86337463      -3.27246194       0.30696718       2.19172625 
O       3.94989511       3.83258743       3.78979700       1.09085414      -0.15465241      -3.16909440 
O       6.38398627       3.78718568       1.55315708      -0.60869527      -0.47767139       0.01721149 
O       3.77177818       1.27029515       3.62951803       1.91809048      -0.05049459      -1.47812992 
O       1.51482315       4.02764840       3.96170548      -0.13063976      -1.18199077      -1.29580604 
O       1.21681873       1.44507096       1.04361662      -2.85763293      -3.47564592       0.80537685 
O       2.06099793       6.64958557       3.87631019      -0.47700187      -2.36962163      -0.91085973 
O       3.64382093       1.15406528       1.08810184       0.19121677       1.44143956      -0.40187998 
O       0.46418235       3.71889707       6.60001764       1.04466290       4.05564947      -2.21225409 
O       0.62438115       9.35095731       6.79287967       0.43413498      -0.63640463       0.24166374 
O       6.56231713       1.06426873       3.60555524      -0.79329795       1.00384100       0.20093862 
O       6.72695695       9.26923314       9.63747299       2.19134037      -2.01699302      -0.64275081 
O       9.27825249       0.67064950       6.87859900       3.14828876       2.75173009       0.28362051 
O       3.48044470       3.16398700       8.50103405      -1.12598914       0.41198930       0.07924370 
O       1.95426561       9.03652619       9.51267748      -2.64313451       1.84317727      -3.09056479 
O       1.09996151       3.79062058       1.24311296       0.72839668      -0.83623010       0.92468988 
O       3.17364374       9.97316422       6.14770469       1.45131356      -1.26696553      -1.08788470 
O       9.17896374       8.66618054       9.24946689       3.25952487       1.73814774      -1.74481582 
O       1.02636361       6.34808040       8.35886485      -2.06465459      -0.51315251       0.25132819 
O       1.27332585       9.00433550       3.72167480      -0.87864621       3.63401034      -0.53746606 
O       4.29103504       7.41012518       4.68276700       3.94350258      -2.21553272      -1.44764328 
O       3.80223063       9.28439804       1.02676562       1.73140580      -1.25795076       0.58232165 
O       3.96225538       9.43853963       3.58469621       0.03976475      -0.90474727      -0.30912673 
O       0.89178775       3.81705067       9.06335420       0.88233089      -0.15364593       0.03945672 
O       8.84120858       3.81731954       1.36015637      -0.02044031      -3.70251979       0.55980491 
O       7.09908196       0.67116507       6.19731741      -3.37820767       0.34805290      -1.59435871 
O       5.68785105       3.40813173       9.34947551       3.02182135      -0.72411449      -0.34469385 
O       4.35635626       1.78732585       5.89802449       1.36330535      -1.94933191      -3.18156249 
O       3.09526886       4.04218449       5.92188272      -0.60502490       1.99921433       2.31342916 
O       8.74050228       3.78046910       9.02266538      -0.12308286       0.15131967      -0.37699277 
O       9.07404144       6.01060166       6.66573303      -0.42942739      -0.55067007      -2.65006262 
O       7.74929945       2.94311198       6.84458176       1.77509471       4.88679880       6.45756815 
O       6.63978376       1.19113342       8.68959227      -3.67042120       1.83184024       0.01725767 
O       5.88148863       1.46919994       0.91210139       2.05348887      -0.87516793       0.06637475 
O       9.15318904       0.85234556       1.76490201       1.70459005       2.12542356       0.32933027 
O       6.45444756       9.12063906       1.66761973      -2.69041881      -2.41367119      -0.82641286 
O       8.36579505       8.73092675       6.86765858       1.25958640      -1.97372983      -1.26114761 
O      10.39409039       7.46816999       5.06311374      -1.48267029       1.73534638       1.89759750 
O       6.27542080       6.64460753       5.83372256       2.73374855      -0.63308886       0.85999955 
O       8.39445820       6.30708754       8.72984685       1.37283404       0.98145553       2.40856523 
O       5.50772628       4.46848328       6.75511553       0.29865143      -1.05164965       0.68264708 
O       5.89846376       9.24880008       6.95838347      -1.51994576       0.09163205      -2.04441407 
O       5.98380379       6.29797242       8.64746278       0.55079543      -1.19140728       0.02697724 
O       3.33004812       6.03835812       9.49655252       0.65049309      -1.17246266      -1.04217656 
O       6.63768403       6.21162366       0.87335865      -0.44950611       0.76320694      -1.94508425 
O       9.26711667       5.96888307       0.66782530      -3.50966467       4.20598194       3.54968744 
O       9.25572651       2.29598275       4.32947488       3.39850245      -0.18909510      -1.53252441 
O       9.08464464      10.22524139       3.96427577       6.98877068      -1.17288973       6.35043706 
O       9.04412904       9.03450433       1.09103018       1.04424139      -1.76361083       1.97257385 
O       6.46187887       3.78964168       4.35448428       0.51282460      -0.97890711      -0.53566901 
O       5.88321115       5.85656745       3.11223290      -1.60291961       1.93537191       1.95979406 
O       6.81685334       9.12225462       4.28223191      -1.61336170      -2.12813123       1.66365124 
O       8.55416927       0.95966461      10.01427357       2.51998297      -0.26620092      -2.26852337 
O       8.38544513       6.92548915       3.28212789      -1.25697055       4.24601248       0.08845417 
O       9.76618569       5.38519367       3.76649463      -1.74478308      -3.19661354      -2.34696328 
O       3.71428284       6.62950480       1.59420562       2.06783203      -0.46501544       2.49017802 
O       4.37289412       8.58321267       8.74722744      -0.62101530      -0.25583419       3.56897369 
O       3.82969896       0.45634987       8.78068610       2.94727142       3.27841254       0.33108575 
O       3.04531431       6.85512153       6.73167019       0.12703159      -0.98690774      -0.34026019 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016862765589794833 0.011901444030857751 -0.011200121033497483 0.011901444030857751 -0.0075619039765731175 -0.010045603206944512 -0.011200121033497483 -0.010045603206944512 -0.0243692730021891" pbc="T T T" energy=-928.22272945 free_energy=-928.222896 config_type=crystal 
Hf      10.20281546       0.00082704      10.44408492       6.00059098      -3.99503631       3.51614250 
Hf       5.35291224       2.40938894       2.67597436      -1.10401636       1.94425796       0.58797118 
Hf      10.09572907       2.66114773       7.88241015       1.41517611      -1.06091782      -2.95326654 
Hf      10.44749701       0.28543180       5.32611553       1.10897948       1.03085108       2.63651502 
Hf       7.41290730       4.88042025       7.36779390       1.02382518       2.39954132       1.16835197 
Hf       8.02454847       7.61290068       5.27788571      -0.36032277      -1.44909413      -2.90979238 
Hf       7.39118376       2.62753585       0.20873601      -1.08197838      -1.20013843      -0.54569559 
Hf       7.75871986      10.06728487       2.76529658       0.81095564      -1.49826105      -0.13923931 
Hf       2.71537542       2.40124289       4.87679444      -1.68381111       1.50119755      -0.50596542 
Hf       4.93451282       2.09428044       7.57349722       1.80275153       0.38670079       1.91574145 
Hf       5.24129828      10.31001468       5.17052646      -2.03358901       0.68650012      -0.67649810 
Hf       2.55389629       2.45731043       0.11531010      -3.11198610       2.47593861      -2.82317326 
Hf       2.54364863       0.21702493       2.41308498      -1.15442908      -2.83953095       0.46426794 
Hf      10.23975884       2.42025945       2.35440979       0.80507941       1.79417549       0.97371173 
Hf       2.14659732      10.36472747       8.00585992      -1.12411781      -0.04270573      -2.60877742 
Hf       7.85095660      10.28646185       8.02345078      -2.09821278      -0.27041725      -1.76369386 
Hf       2.31809804       4.68003784       7.67875223      -1.49476437       2.87065854       5.02048355 
Hf       4.84486332       5.23831227       5.03343892       0.84348667      -0.18197118      -1.89543052 
Hf       0.52898320       5.62282801       4.91723322      -0.40751384      -0.88854105       2.18669969 
Hf       2.63767435       8.28618631       4.94134348      -0.72022421       0.21644955       1.14263791 
Hf       5.08389490       5.02448760       9.97491720      -0.22203654       1.94506754       2.72862087 
Hf       5.08185294       7.78114485       2.59255498      -0.51653955      -0.27867327       2.43510823 
Hf       5.00374003       7.43399209       7.39853742      -3.09941077       3.73830134      -0.85747528 
Hf       7.87072359       7.57482402      10.31183862      -0.34075409      -0.54038758       1.19075586 
Hf       7.76956442       5.29606979       2.37986966       1.47920590       0.58534780       1.35386022 
Hf       2.42153780       4.95747513       2.43405223      -0.96706771      -1.20468545      -3.12904024 
Hf       0.10356085       7.92789918       2.33272958      -0.15401335      -2.69531735       1.13823321 
Hf      10.08134035       5.26362844       9.73017767       0.34634308      -0.13042629       2.05763597 
Hf       7.62756728       2.33691710       5.19134939      -0.22473814      -0.03242974      -0.65318796 
Hf      10.23366971       7.69790580       7.68271285      -3.35729820       1.05623557      -3.36796672 
Hf       5.23094082      10.16489862      10.22161883      -0.42686579      -0.61278044      -1.11146197 
Hf       2.84171240       7.69601236       0.20665941      -3.40305424      -1.36310836      -1.74612497 
O       1.32646484       8.96698771       1.25619634       0.32853747       2.09597886      -1.44484479 
O       1.10684084       6.50662418       1.24145669      -0.11899407       0.08168168      -1.72148452 
O       1.29333010       1.34609430       6.41462974       1.91129358       2.00685259       0.02436854 
O       1.26143153       1.53466445       3.62884955       0.61687911      -1.82529044       0.68811979 
O       3.58289194       4.07263642       0.65263633       0.67102392      -0.36788740       1.09115075 
O       1.10766244       1.48807908       9.14278240      -1.17431802      -2.25324290      -0.58581028 
O       3.97357311       3.67728681       3.72307497       0.03882513       1.85980721      -0.87860011 
O       6.44973369       3.87581346       1.72763229      -0.81455465      -2.83898299      -2.99544352 
O       3.81310679       1.21851530       3.53042907      -0.52502921       2.05420487      -0.20700905 
O       1.62652001       4.19430212       3.97504172      -1.32754388      -3.89686862       2.02921956 
O       1.13535422       1.26619889       1.18510447      -0.46577508      -0.16274207      -0.45381367 
O       2.00039748       6.43336350       3.67423748      -1.32304985       2.44234436       2.82659968 
O       3.65171987       1.26048089       1.02917169      -0.01538386      -1.24359988       0.14647401 
O       0.63035599       4.07028142       6.70536005      -1.42152670       0.20496189      -1.74814366 
O       0.42217919       9.46481513       6.95384606       1.25964656      -0.48528772       0.23572342 
O       6.53533119       1.01382144       3.36353065       0.83596655       1.09529454       2.64265900 
O       6.86161257       9.12840582       9.53042962      -0.33434820       0.63134300       0.16645843 
O       9.12301499       0.94235844       6.99424036       2.96204598      -0.88850222       0.27272653 
O       3.65274504       3.12698668       8.54321399      -3.26358710       1.94853943       0.86008413 
O       1.95842132       9.12702386       9.47875705      -1.60177621       0.04966434      -1.62701142 
O       1.01031076       3.91501974       1.32719130       0.53180584      -2.23515660      -0.26198845 
O       3.29431882       9.94651738       6.17496967      -1.69988180      -1.44995731      -0.24642294 
O       9.29350457       8.63873345       9.19109333       1.76616636       2.32816730       0.91893912 
O       0.96900413       6.39428533       8.33204344      -0.50270314      -1.58787384       1.69184739 
O       1.38357994       8.94237508       3.52477073       0.54280594       3.20395391       1.36206116 
O       4.30540220       7.39609837       4.79549970       2.64787923      -2.30844655      -3.43198740 
O       3.94051540       9.07011536       0.96901114       1.75890065       1.07454136       1.66106249 
O       4.02553318       9.51886038       3.67783252      -0.86880764      -3.32267269      -2.20321278 
O       0.81490587       3.83794131       8.93634968       2.40061623       1.29018763       3.22548030 
O       8.87627830       3.53667540       1.18142141      -0.09528776      -0.94800610       1.12359035 
O       6.98535110       0.64507586       5.96569548      -0.05705218       2.28626214       0.83787834 
O       5.87541090       3.36685492       9.46184702       1.98197833       1.14678971      -0.43058377 
O       4.48732192       1.74644874       5.65936530       0.54352424       1.28789010       2.33394376 
O       3.00116589       4.17891807       6.10296629       3.06399166      -1.23337329      -4.51935835 
O       8.86472875       3.73856202       9.01375697      -1.48677838       1.78648787       1.81193825 
O       8.96973770       5.99691438       6.51623090      -0.65340158      -0.81821184      -1.93806121 
O       8.02217735       2.89245149       7.09924764      -1.28366649       3.25818594      -2.15208148 
O       6.42482120       1.30046701       8.75002076       0.56632193      -3.01463405      -0.20200858 
O       5.88003152       1.27736151       1.10080394       3.17952853       0.10819599      -2.98197559 
O       9.20212062       0.85459276       1.74301562      -0.12964913       1.36315382       1.98292726 
O       6.44722316       9.01837560       1.65723370      -1.02699144      -1.19908304      -0.61875718 
O       8.19110622       8.70111566       6.79034141       1.96436070       1.10163975       2.09598845 
O      10.39930162       7.64223734       5.09757799       0.05492398      -0.76190260       1.42929407 
O       6.21317632       6.71458841       5.91281920       2.69283455      -2.89998883       0.15431015 
O       8.40561810       6.46861241       8.58035686       2.05981125      -0.65018600       3.94460437 
O       5.49861860       4.24152091       6.69482352       1.34483529      -0.37819290       0.18591479 
O       5.81311378       9.21732278       6.54770349      -1.74354868      -2.73837557       6.11799659 
O       6.06733966       6.25103759       8.52803423       0.23585801      -2.29611639       1.13327882 
O       3.45515616       6.03943081       9.37071321      -0.10870793      -0.30099985      -0.65991184 
O       6.64728007       6.08915143       0.81514460      -1.45950010       1.96995476      -2.57714106 
O       9.12427135       5.93933165       0.94330217      -0.09746366       1.92142884      -2.15752633 
O       9.46550841       2.35445814       4.51514265      -0.32746867      -0.88672606      -0.94298734 
O       9.29602954      10.14156066       4.03688273      -2.29294577      -2.14398781      -1.49469177 
O       9.10227454       9.01255754       1.38306835      -0.08973140      -1.35620057      -1.78747503 
O       6.42595092       3.71559478       4.04923515       1.77654342      -1.46789970       2.73789165 
O       5.99525894       5.97612484       3.22727318      -1.67377645       1.82894579       1.10046785 
O       6.62384845       9.11842755       4.54481841       3.90283597      -2.87804060      -5.44493938 
O       8.69056929       0.81099496      10.12511303      -5.62167348       3.45192112      -5.13959342 
O       8.50263151       7.09694622       3.26501922      -1.22170359       2.30528768      -0.27050541 
O       9.60972280       5.18847432       3.84210497      -1.85975848      -2.19785890      -2.06857464 
O       3.38817122       6.54175513       1.85983683       5.80069029       3.78693925      -1.35083626 
O       4.45671791       8.55034869       8.92921697      -0.01251327       0.33742498       1.53749276 
O       3.81008070       0.58918991       8.61438582       2.92023477       1.63879199       1.42152773 
O       2.97001691       6.93407426       6.54930545      -0.08580471      -1.28944900       1.90750615 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02207378737204452 -0.004028339769917082 -0.0014589663459405786 -0.004028339769917082 -0.04184264034293915 0.011178799763697064 -0.0014589663459405786 0.011178799763697064 -0.03526750172011997" pbc="T T T" energy=-929.28953105 free_energy=-929.28956278 config_type=crystal 
Hf      10.26385015      10.46606404       0.03433887      -2.75377788      -3.60513326       4.05407592 
Hf       5.28504427       2.37726504       2.64338398       2.14395763       0.61921527      -0.74452209 
Hf      10.10770617       2.59482656       7.96974923      -0.07347664       0.78184246       0.21064277 
Hf      10.42656209       0.41335147       5.45151934      -1.08932848       0.09040684      -2.30683926 
Hf       7.39697021       4.80372948       7.32179976      -1.93108035       6.66287061       0.24083210 
Hf       8.05128501       7.62204207       5.16488277       0.15369106      -0.04236647       0.67185394 
Hf       7.37871412       2.60007432       0.25710398       0.81801012      -4.51944458      -3.80814508 
Hf       7.70779730      10.11813563       2.65765579       1.42661424      -4.40430020      -0.52348933 
Hf       2.70990327       2.61832936       4.84408129       1.21850720      -4.51512158      -0.02881677 
Hf       4.88576283       2.13139966       7.64920887       2.54351584       2.57285169      -0.14186220 
Hf       5.22919307      10.27635245       5.05227326       0.34018194      -0.93146017       0.00512292 
Hf       2.42030394       2.49849493       0.13530986      -1.00475036       1.92792857      -1.40448521 
Hf       2.52609398       0.12729453       2.45106870      -1.13430591      -1.01208722      -1.27005862 
Hf      10.13444878       2.46495379       2.28924796       4.11409666      -1.60720255       6.69655243 
Hf       2.14150677      10.27963067       7.95691264       1.23103518       2.25215700      -2.29954344 
Hf       7.84332810      10.23482141       8.05540785      -0.72203784       3.60460078       0.48745844 
Hf       2.36990950       4.78903808       7.72803998      -0.15937859       3.56699444       0.69681975 
Hf       4.86064070       5.20971411       5.03404418       4.10957704       0.45975968      -0.78748717 
Hf       0.39964180       5.63026937       4.88447360      -6.39449628      -2.87496834       3.61129963 
Hf       2.60196964       8.26279435       4.93807593       1.55039750      -2.30527048      -0.29726954 
Hf       5.15494847       5.00984308       9.96656831      -0.57612493       0.65241260       0.43792185 
Hf       5.06084404       7.75280123       2.57275816       4.62727280       2.34167519       2.82026685 
Hf       5.08700357       7.47965099       7.47139871      -4.12601356      -9.72368643       6.74209915 
Hf       7.95978321       7.56744137      10.30312007      -1.66037341       1.98897224       2.63514585 
Hf       7.84026904       5.31727515       2.38687353      -2.76979139       0.39283142       2.17551964 
Hf       2.41283505       4.95524102       2.49573227       1.02163801       0.12283353      -1.31953893 
Hf       0.02709113       7.79035416       2.34291204       0.54333301       2.97647181      -0.68887337 
Hf      10.05177804       5.21887057       9.80030529       3.38215492       3.56415363       3.07987613 
Hf       7.66978731       2.36143585       5.15959923       2.67342024       1.89614708       1.11494853 
Hf      10.31270459       7.81308643       7.69529595      -1.88328458      -0.70921692      -0.11019332 
Hf       5.36165644      10.18759551      10.19420502      -1.13056264      -2.61287902       0.28756758 
Hf       2.71801552       7.66341067       0.15034361       2.34342447       3.51705854      -1.15000713 
O       1.30494193       9.25287154       1.05810435       0.30316329      -1.82929461       1.11855952 
O       1.15916022       6.73136552       0.77924292      -1.80623015      -2.33584427       2.10095571 
O       1.27463224       1.54469128       6.60904777       1.35815214       1.48557349       0.50205793 
O       1.34026620       1.39050354       3.78615308       0.34275226      -0.86960159       1.02300475 
O       3.66001789       4.04421169       0.70272589      -1.27890020       0.01481229       1.92395942 
O       0.59079407       1.30134899       9.46027604       3.09127686       3.45194379      -4.35074790 
O       3.96601703       3.79645737       3.47773782      -0.19470377       1.99719571      -0.43719412 
O       6.48470817       3.70104571       1.54925810      -0.84061725       1.69600823       1.13038599 
O       3.78964408       1.36183965       3.38472774       0.05461625      -0.53883271       1.70570417 
O       1.59218313       3.97374988       4.22518683      -2.80117112       3.36376243      -3.31525618 
O       1.00686309       1.03824024       1.36086954       1.54298214       3.83482335      -0.11027834 
O       1.60037251       6.50632705       3.74117291       1.56316430       0.96529318      -3.02199908 
O       3.68473592       1.25468732       0.90877575       0.20287219      -0.29904134      -0.58209225 
O       0.66527259       4.72389247       6.57843226       0.50956973      -1.56677384       0.68987490 
O       0.33531266       9.67650124       7.23469439       1.66016357       0.51096272      -2.18284745 
O       6.61072603       1.07651492       3.43429828      -1.06993550      -0.19715711       1.27126765 
O       7.01284696       9.01311685       9.34252564      -1.26213980      -0.04344137       0.70704105 
O       9.21543363       1.09483684       7.17059457       0.43046398      -2.00430334      -1.99211734 
O       3.47903165       3.36916293       8.73809317       0.86179066      -1.16516778      -1.10209701 
O       1.74241287       9.12214075       9.32221430       1.05931171      -2.26473837      -0.10561076 
O       1.00724783       3.82769197       1.43047448       2.20740133       0.09883837       0.11467594 
O       3.19677080       9.69622197       6.19084333      -0.94358199       0.88614274      -0.14832296 
O       9.71099805       8.97658804       9.30373350      -1.77559351      -1.20732262      -0.70931291 
O       0.81237336       6.26601430       8.57295726       0.75320081       1.44053541      -0.72852661 
O       1.60685528       9.22310106       3.43929777      -2.40195814      -2.28129383       2.19215418 
O       4.47401645       7.08197537       4.56324164      -4.12963398       0.89191298       1.60842422 
O       4.24761831       8.83744347       1.07248010      -3.56740706       2.36917848      -0.66248152 
O       4.01603563       9.21759270       3.56570550       0.34217929       1.93148366       1.80819357 
O       1.06756695       3.95860340       9.14992422       0.20575136      -2.13474525      -0.27093305 
O       9.02350895       3.12009060       1.04809741      -0.96333029       4.11439740      -1.30821706 
O       6.83889997       0.84386752       5.79256434      -0.27411519      -3.54979268       3.36012068 
O       6.36565200       3.58855929       9.43937378      -1.32656289      -0.68924888      -2.49760899 
O       4.69449804       1.84841905       5.60898510      -2.48811292      -1.61584139       1.39868546 
O       3.32203206       4.25755963       5.84424800      -0.67497486       0.39031240       3.09511530 
O       8.89861286       3.92090426       9.27719321      -1.41004397      -2.60859316      -1.97715830 
O       8.70342461       5.83838274       6.01084918       1.66830490       0.08728002      -0.09927782 
O       8.27297681       3.24829234       7.14223933       2.85579350      -5.14456552      -2.80193817 
O       6.18179446       0.99669434       8.79260239       0.20551325       0.15119584      -2.24837258 
O       6.32543113       0.98040056       0.99659376       0.03457344       1.31628207       1.19238175 
O       9.12626611       0.86780246       1.90729299      -0.93443129      -0.52275490      -0.75621056 
O       6.47632840       8.75129952       1.52194959       2.70999387       1.37321583      -0.52737218 
O       8.20640634       8.77098215       6.92712072       1.96483552      -2.97037156      -2.19297480 
O       0.02328416       7.76336298       5.40425251       0.88477102      -1.69544856       1.28049854 
O       6.45178014       6.36133658       6.11949347      -2.11397803       0.31633684      -0.50140436 
O       8.79169393       6.60438644       8.84885194       0.72658578      -0.79138756      -1.10982830 
O       5.74271665       3.82094409       6.60266402       0.96264287       0.82455852       0.07052032 
O       5.44615604       8.88098035       6.66068727       3.12812835      10.33445427      -5.72158399 
O       6.19709615       5.87454106       8.46284833      -1.37373323       1.81674889       0.48251375 
O       3.61232122       6.03193910       9.03626830      -0.99283398       0.19297616       0.34745401 
O       6.45514220       6.15890415       0.38716986       0.90674205       1.21583920       2.02018050 
O       8.99359488       6.20382404       1.03335713       1.66992564      -0.80634762      -0.19903757 
O       9.68842978       2.26789670       4.72280849      -1.79763698      -1.60088914      -0.43508495 
O       9.33844863       9.71597200       3.99537912       0.04911980       2.28883513       2.07489521 
O       9.14348018       8.86795432       1.47134928      -0.03573733       0.69242233      -3.58134336 
O       6.63397753       3.39645208       3.99237051      -2.01768450       2.34229316      -1.01087925 
O       6.11948918       6.26815652       3.50210418       3.82867465      -3.89892733      -2.52250654 
O       6.76055397       8.81844512       4.21762626      -2.79981658       3.02558469       0.21530377 
O       8.36493829       0.91214325       9.64136202       2.91220744       0.64585618       1.56512838 
O       8.58636571       7.60544142       3.23992912       1.44396165      -4.75215765       0.21079923 
O       9.14486904       4.58205683       3.66844863       1.49752479       0.96769885      -1.20566733 
O       3.58101546       6.82098225       2.06593013      -5.19054673      -5.48014169      -2.78055740 
O       4.57485284       8.49271007       9.35245681      -0.66886239      -0.77012203      -3.20714551 
O       3.88586049       0.83097264       8.57870916      -3.98054537      -2.50245847       1.25650843 
O       2.81730700       6.88116133       6.52131789       0.30758620      -0.14343299       0.67863210 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.05654664179581069 0.017458197340336577 -0.017530309932980895 0.017458197340336577 -0.037797686075185556 -0.0033063453686865835 -0.017530309932980895 -0.0033063453686865835 -0.04067821777193168" pbc="T T T" energy=-926.33745131 free_energy=-926.33758544 config_type=crystal 
Hf      10.09869362       0.22692166      10.32112444       2.25641158      -5.36085843       3.80617669 
Hf       5.17237469       2.95914808       2.46324215       1.39627061      -0.15516220       0.43879189 
Hf       9.96556670       2.35733467       7.37774820      -1.60187595       1.29669793      -1.36423298 
Hf      10.46500288       0.15318697       4.83002100      -0.12172422      -7.12615447      -3.72421921 
Hf       7.50983980       5.06997496       7.77899122       1.74494020      -1.03341250      -3.13593132 
Hf       8.19818650       7.70384013       5.11842070       0.14001813       0.39893943      -4.44409629 
Hf       7.68559263       2.55168238      10.39271398      -2.21926165      -0.24865683       1.25209418 
Hf       7.47884153      10.32068717       2.46130203       4.75039459       1.40683449       1.86832478 
Hf       2.64356713       2.29297602       4.91120459      -4.28171001       5.38637230      -0.88954323 
Hf       5.12136138       2.24333536       8.01604971       1.37841770       1.14349384       0.67863175 
Hf       5.41824321       0.01492281       5.16704331      -1.99344311      -1.29635716      -0.51127686 
Hf       2.78036131       2.36567571      10.29626732       1.75514191      -1.59976015       2.95831741 
Hf       2.52680757      10.27217738       2.42917948      -3.08072052       3.11599673       1.37402256 
Hf      10.38586386       2.38939557       2.24964344       2.32181328       3.29704379       2.26073107 
Hf       2.35402337      10.36253302       7.68890256      -1.18463238       0.10398541      -3.68961119 
Hf       7.65670246       9.96652571       7.90831787      -2.10557018       2.30739549      -0.81047901 
Hf       2.75090921       4.80971531       7.85387709      -4.18508548      -3.82431542      -0.80864140 
Hf       5.17239060       4.85731789       5.40156730      -0.70279882       1.70706720      -0.16034444 
Hf       0.29478576       5.28995313       5.30091145      -2.47356870       2.00260921      -4.28061055 
Hf       2.67567189       7.92737211       4.93260064      -3.18394512       0.49389165      -0.28109094 
Hf       4.67977911       5.34108167      10.29809430       9.31349767      -1.35747032       6.27017955 
Hf       5.20747100       7.79511168       3.07404205       1.32120546      -2.22325627      -4.00891721 
Hf       4.80914564       7.71357600       7.78847988       3.01945298       1.65604408       0.55135986 
Hf       7.75228692       7.63373093      10.14852299       2.44052116      -3.21396538       2.76133533 
Hf       7.90820054       5.27889025       2.52290776       0.33216747      -0.81150455      -0.80956565 
Hf       2.38324270       4.85896506       2.54298842      -1.31263538       2.73562972      -0.39918680 
Hf      10.07484649       8.17507985       2.31262149       0.57610145      -4.41420628       2.56988378 
Hf      10.37552754       5.06702004      10.26236018      -1.12587777       0.01495729       0.86264447 
Hf       7.88535680       2.39517480       4.95896018       3.31022831       5.15323810       1.96889924 
Hf       0.17620067       7.78022487       7.49717769      -2.91281545       1.44883942       0.64709075 
Hf       4.80148333      10.07734906      10.35867769       2.24861432       0.12037092       1.85356329 
Hf       2.14276344       7.71692163      10.42462501      -2.96040964      -0.36037276       2.13458830 
O       0.51882785       9.32560169       1.13740392       4.39283296       1.92993690      -2.70159434 
O       1.11612216       6.49336842       1.43760835       0.75875107       0.78743592      -2.01073074 
O       0.41096037       1.70283515       5.53101243       0.59591484       7.03159514       4.69234046 
O       0.96478143       1.04702598       3.21237559       0.12690714      -2.17769952      -0.36425753 
O       3.91060332       3.76703636       1.17083977      -2.92506201      -0.33409867      -0.35338225 
O       1.00090332       1.38252390       7.87221670       3.03325665      -1.97461483       2.19081781 
O       3.52314616       3.85349083       3.93723435       3.28995867       2.15776497      -1.29275716 
O       6.29287047       4.34211250       1.33205913      -0.47566916      -1.36562704      -0.00869712 
O       3.27583708       1.55492796       3.24042720       2.75058325       0.06129973       0.42534280 
O       0.96182002       3.33404318       3.73333363       2.07863863       3.66208178       0.72919550 
O       1.14921482       1.44057405       0.65936756       0.06432570      -1.03455544      -1.13771079 
O       2.04805030       6.29372461       4.08365628      -1.48618470      -1.67261124       0.82233666 
O       4.06031990       0.95307007       1.22241406      -0.93055703      -0.94488846      -3.07490186 
O       1.42457311       4.21936941       6.24820481       2.50071232      -1.73478327       3.53990289 
O       0.69248262       9.34809523       6.42712774       1.62752556       2.07943503       0.95206987 
O       6.36982320       1.59574185       4.33891162      -3.98259751      -2.42290675      -2.27389206 
O       6.47758749       8.67653674       9.25226952      -4.32410717       2.99310892      -3.10173682 
O       8.24258757       1.00358770       6.72690807       1.36700623       3.67937912      -0.92005895 
O       4.26697952       3.59395848       9.18345614      -2.09257701       1.38091662      -0.49067829 
O       1.37664577       9.25777537       8.95834859      -0.79593570      -0.99125447       1.23422883 
O       0.95200901       3.99828171       1.08496240       0.20354803      -0.70628012       2.71828778 
O       3.53990988       8.72643968       6.68272428       0.01245380       0.53358307      -0.02037766 
O       8.72925781       9.23278565       9.22993643       5.13270253       0.49145684       2.44039164 
O       0.18182448       6.85848359       9.38483494       3.00084057       0.20705431       0.35233645 
O       1.24152932       9.14864473       3.80711803       2.26494784      -1.43213944      -0.19971582 
O       4.40470561       6.89609535       4.66816582       1.67385555       0.26599397       0.62438828 
O       3.03101330       8.83255921       1.31013882       1.86135332      -0.58333888      -3.25380056 
O       3.87708563       9.24874221       3.50568948       1.37639622       0.08824507       3.63055290 
O       1.75956833       3.56864148       9.46147400      -1.40206379       3.92431558      -3.99764198 
O       8.55964676       4.18890805       0.56339398       1.59836815      -1.13421754      -0.97242183 
O       4.91710899       1.29382809       6.45047124      -1.36738579       1.16248952      -2.24672776 
O       6.60441826       3.34602237       8.50671197       4.83434246       0.21597501       2.71111796 
O       2.64120941       0.63277222       5.61190307       0.85403515      -5.55102496       3.14044045 
O       3.85716070       3.73081242       6.35286566      -1.11659200      -2.01514690       2.40215922 
O       9.88427405       3.88637260       8.57035065      -0.88277543       1.99188805       1.66817734 
O      10.11078899       7.39602867       5.49178877       0.12722171      -3.13156966       3.19098376 
O       9.10716309       4.16173372       6.19512233       0.75736077      -0.22759690      -1.09701646 
O       6.10599102       1.15258201       9.43277537       0.81367316      -2.05474838       0.75832791 
O       6.47590358       1.53300190       1.63813509       0.78505664       2.39942034      -0.42640402 
O       8.95465789       1.30531317       1.65298652      -1.80131881      -2.55537689      -5.48332521 
O       6.05859274       9.55764791       1.61712251      -4.41064387      -2.54817608      -2.81313158 
O       8.46483953       8.94703997       6.53728617       0.80884161      -0.28330998       0.56173421 
O       1.68896241       6.85440941       6.83320123       0.95419431      -2.20224534      -0.04289918 
O       6.98202222       6.56147178       6.15043564      -1.85945419      -2.01181490       1.26789375 
O       8.51881215       6.60832027       8.45437971       0.49795425       0.52748156       0.21479762 
O       6.56282820       3.70389252       6.13604587      -0.27081435       0.42801291       1.24058019 
O       5.92036250       9.84599361       7.01135312      -1.07912104      -3.36970645      -0.93725065 
O       6.20326661       5.74305324       8.95508157      -2.75163717       0.73482459      -1.41775954 
O       3.11167400       6.00295735       9.81666281      -5.87123894       1.85198287      -3.23432983 
O       6.06525040       6.90406232       0.38985276      -1.69755309      -0.11253842       2.53912693 
O       8.79024195       6.51907666       1.27224563       0.56661585       0.54483409      -2.85603847 
O       9.02844680       1.34596473       3.94287689      -0.17534020      -2.95789076       0.15380146 
O       9.21494036       9.30269714       3.70538207      -1.88979529       0.06042277       1.07070058 
O       8.70755070       9.07574429       1.31718592      -4.42675419       1.79740877      -2.82708868 
O       6.17238682       4.48925932       3.83235382       0.75093524      -1.09756850      -2.73967190 
O       7.17122286       7.16610562       3.19485873      -0.86182760      -2.03181674       0.78959320 
O       6.69194657       9.21914432       4.10305444      -1.45509985       1.31393908       1.79853274 
O       9.25095225       1.52065387       9.35030213      -3.85750477       3.23185298      -2.26414525 
O       9.87566570       6.55724113       3.41148154      -2.02242073      -3.92105828       2.22671417 
O       8.94642309       3.49051015       3.22542569      -2.84316793       3.51931570       0.20837424 
O       3.69229545       6.44890853       2.01238170       1.79764508      -1.12158852       0.01571570 
O       3.88556785       8.42556521       9.37748808       0.04206394       0.81916373      -0.64734646 
O       3.68504813       0.92267947       8.88670578      -1.30495210      -0.26509555       1.07518963 
O       4.02031421       5.96552562       7.29449073       4.17625722       3.20212989      -1.19987777 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.05519080487259099 0.016214258042929496 -0.01851938940114136 0.016214258042929496 -0.039314740636115515 -0.004032559978795567 -0.01851938940114136 -0.004032559978795567 -0.04093901429372299" pbc="T T T" energy=-925.98420682 free_energy=-925.98436781 config_type=crystal 
Hf      10.10264084       0.22592591      10.32319675       2.65484711      -5.56246258       3.97407143 
Hf       5.17153457       2.96170602       2.46068264       1.41723719      -0.07837230       0.49771756 
Hf       9.95767728       2.36301374       7.38353245      -1.18365697       0.83110634      -1.48144705 
Hf       0.00198659       0.14913090       4.82718549      -0.03814793      -7.27231589      -3.78016545 
Hf       7.50412180       5.06477859       7.77423988       1.62412633      -1.12360520      -3.60720440 
Hf       8.20177546       7.71096898       5.11735963      -0.14195362      -0.27162865      -4.35722051 
Hf       7.68253681       2.54777587      10.38631076      -2.08975396       0.06708649       1.35708691 
Hf       7.47849573      10.32177973       2.46111364       5.06148485       1.72596534       2.04394808 
Hf       2.63982421       2.30220354       4.90524231      -4.42464799       5.16186791      -0.54696809 
Hf       5.12433713       2.24104368       8.02012723       1.47835181       1.30653004       0.86316491 
Hf       5.41817224       0.01124373       5.17050804      -2.26660506      -1.19087374      -0.31012084 
Hf       2.77804409       2.35819949      10.29440266       1.92751300      -1.85190483       3.14956811 
Hf       2.52421980      10.27692369       2.43538395      -2.91234978       3.19295161       1.41146243 
Hf      10.38752798       2.39393508       2.25264818       2.94496977       4.00971794       2.12511898 
Hf       2.36058401      10.35921168       7.68978235      -1.22872734       0.12143433      -3.66935609 
Hf       7.65612232       9.96431745       7.90421480      -1.81405208       2.12621086      -0.51360311 
Hf       2.75749340       4.81480973       7.85357943      -3.81280575      -3.42648067      -0.99018783 
Hf       5.16765370       4.85894015       5.40012035      -0.55302633       2.06473444       0.08634713 
Hf       0.28855606       5.28394888       5.29942933      -2.59790531       2.13302580      -4.28200843 
Hf       2.67220580       7.92843129       4.93995388      -3.00175430       0.16004415      -0.55186772 
Hf       4.68154895       5.33886859      10.29959767       9.32609195      -1.24638895       6.22432049 
Hf       5.20609563       7.79136258       3.06813712       1.04676309      -2.25403789      -3.71445019 
Hf       4.80683575       7.71303030       7.78456499       3.15546813       1.56113585       0.54108487 
Hf       7.75556389       7.63640704      10.15167541       2.02520040      -3.26033173       2.39211984 
Hf       7.90402034       5.27749762       2.52550986       0.13804626      -1.09822361      -0.66004015 
Hf       2.38140651       4.85471913       2.54964189      -1.39207663       2.70950077      -0.59238234 
Hf      10.07462837       8.17422968       2.31660838       0.55416434      -4.26363767       2.37982999 
Hf      10.37434559       5.06895136      10.25600008      -1.12859441      -0.04204293       0.98935589 
Hf       7.88948792       2.39681621       4.96154471       2.85770302       4.80062286       1.57281276 
Hf       0.17619324       7.78510180       7.49761403      -2.92341404       0.89718486       0.66550574 
Hf       4.81328450      10.07283478      10.36162497       2.09352493       0.03791683       1.74761113 
Hf       2.13505697       7.71981941      10.42377871      -2.76653782      -0.42098628       2.16124140 
O       0.53367656       9.33329958       1.15090993       3.99837446       1.77717770      -2.62887181 
O       1.10279157       6.47873155       1.45757576       0.79337217       0.90211193      -2.27136589 
O       0.40664620       1.69650194       5.51484288       0.63651674       7.53006587       5.07785127 
O       0.96858820       1.06201505       3.20829252       0.32540640      -2.31353339      -0.22689029 
O       3.89891948       3.78181254       1.19361370      -2.65021734      -0.48209414      -0.53978893 
O       0.99510024       1.36376993       7.87159030       2.74346030      -1.71915218       2.08236330 
O       3.52814294       3.84209806       3.92948403       3.33123918       2.32474524      -1.18730378 
O       6.31472745       4.36015434       1.31471004      -0.83730733      -1.65423063       0.21013123 
O       3.28563909       1.56642843       3.25294269       2.83882348      -0.22866385      -0.06499026 
O       0.94845291       3.34209127       3.72814553       2.24508467       3.86858496       0.98809992 
O       1.14644829       1.45473607       0.65855989       0.07852780      -1.25472063      -1.21057148 
O       2.05739264       6.29089665       4.05447087      -1.36028898      -1.33479605       1.20848154 
O       4.06093824       0.94105560       1.21359430      -0.92877350      -0.77035324      -2.91198587 
O       1.41976389       4.21586208       6.23967318       2.70085077      -1.85953924       3.62864271 
O       0.67287660       9.33343658       6.44030929       1.92175980       2.62698641       0.52566161 
O       6.34892743       1.59125363       4.34993682      -3.22106402      -1.97686535      -2.19428328 
O       6.47895092       8.67906788       9.23598600      -3.89860001       2.59041214      -2.65587265 
O       8.25548884       0.98989550       6.74587293       1.38238092       3.96535490      -1.13160321 
O       4.24554286       3.60011973       9.18303708      -1.57455489       1.15071291      -0.63096315 
O       1.38007407       9.25864166       8.96311647      -0.76021202      -0.95332961       1.26261726 
O       0.94996695       3.98269262       1.06282398       0.15628819      -0.48580780       2.84179374 
O       3.54437005       8.72643832       6.67651562      -0.08749746       0.68350596      -0.03485803 
O       8.76031364       9.22034500       9.20345423       4.83457284       0.22489535       2.47476219 
O       0.17128648       6.86827849       9.37020916       3.08343778       0.09010309       0.81655511 
O       1.24661746       9.17213015       3.76928848       2.19960428      -1.72392856       0.28996961 
O       4.41659322       6.89522152       4.68951875       1.44331628       0.55394434       0.30116988 
O       3.02371836       8.84070306       1.31348978       1.94899884      -0.81028929      -3.27683798 
O       3.87854985       9.25841789       3.53469980       1.41146887      -0.04147527       3.35004071 
O       1.78216967       3.56945638       9.47104293      -1.86646204       4.19746260      -4.44608693 
O       8.56329214       4.19475709       0.57235587       1.62666541      -1.47423078      -1.24944311 
O       4.91588539       1.30613205       6.45558963      -1.30625231       0.91849925      -2.36585332 
O       6.61271461       3.35998166       8.49914407       4.42312856      -0.33603062       3.02262465 
O       2.64669454       0.63827011       5.60556987       0.80201030      -5.54108064       3.19291913 
O       3.86852700       3.74892334       6.36051289      -1.45953445      -2.30163213       2.47108037 
O       9.88812613       3.89007167       8.54794660      -0.73181427       1.98387552       2.06996830 
O      10.11527752       7.40970695       5.48991857       0.17350168      -3.18219824       3.28916008 
O       9.10564037       4.17324832       6.20742137       0.74011618      -0.36984036      -1.31068262 
O       6.12294491       1.12784001       9.43507019       0.74752107      -1.71000964       0.52575044 
O       6.47198315       1.51987100       1.61667665       0.94056108       2.62318662      -0.35433794 
O       8.99932115       1.31090285       1.68395946      -3.05729895      -3.48330906      -6.00683071 
O       6.07404494       9.56588178       1.60797464      -4.78284768      -2.82768391      -3.02715863 
O       8.45437866       8.93932931       6.52184340       0.70793513       0.08254679       0.90705511 
O       1.70157501       6.84166043       6.84905187       0.69598242      -2.02481178      -0.08806948 
O       6.96545067       6.53773203       6.14566650      -1.52911359      -1.58941922       1.01221250 
O       8.54127638       6.56000546       8.41595515       0.64127624       1.26977976       0.75080861 
O       6.55856207       3.70123735       6.13738732      -0.16753079       0.26322964       1.13059748 
O       5.92923229       9.84894696       7.01973476      -1.40557619      -3.25713368      -1.20449709 
O       6.20971389       5.75927240       8.95030092      -2.93552521       0.85380578      -1.15370224 
O       3.10725632       5.98506507       9.81813530      -5.98506637       2.08621288      -3.21577745 
O       6.04952075       6.89983722       0.39995913      -1.27294061       0.26319011       2.37681849 
O       8.78839393       6.49776046       1.28355844       0.68097602       1.02197027      -3.01036045 
O       9.03191132       1.34940361       3.93283154      -0.40544431      -2.86628208       0.62322521 
O       9.23169350       9.32795993       3.70507185      -2.20189462      -0.31081521       0.82111555 
O       8.69204063       9.06799460       1.30863211      -4.00839188       1.59551375      -2.75022387 
O       6.16882203       4.51219704       3.84275230       0.90294300      -1.30699043      -3.26299838 
O       7.16481022       7.15378250       3.20571909      -0.83026645      -1.75754324       0.76230953 
O       6.67839849       9.23715445       4.08946293      -1.20741392       1.05661007       1.76410679 
O       9.24689681       1.50525809       9.36215541      -4.07615167       3.65341284      -2.47061427 
O       9.90126770       6.56689871       3.43973756      -2.15554012      -3.75104002       1.82069299 
O       8.92902962       3.48559009       3.22466406      -2.86457821       3.58976843       0.33416835 
O       3.69797524       6.44308964       2.01695689       1.81978130      -0.99226665      -0.01203014 
O       3.87306995       8.41916608       9.37164439       0.14311444       0.85071911      -0.53504592 
O       3.69608651       0.91641419       8.87333510      -1.33065797      -0.23507419       1.22377255 
O       4.02622584       5.98308445       7.26494998       3.72040746       2.71073636      -0.88247348 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.006600623110278255 0.012885181659742267 -0.0015138109172938444 0.012885181659742267 0.005094725914752282 -0.010453208012508281 -0.0015138109172938444 -0.010453208012508281 -0.01979891361425613" pbc="T T T" energy=-930.37598996 free_energy=-930.37642129 config_type=crystal 
Hf      10.19891146       0.16447895      10.38373378       0.63123279      -1.70855008      -3.20977303 
Hf       5.16810333       3.00742228       2.42634346       1.56908401      -0.11331132       1.11540270 
Hf       9.83866810       2.45328021       7.46916250       5.88238084       0.56367537       1.60373533 
Hf       0.07490921       0.04914446       4.76495567       1.80213448       2.26297657       1.92026798 
Hf       7.41263769       4.97579695       7.64698774       1.78801404       2.38891230      -1.38368308 
Hf       8.25406522       7.79677539       5.05441570      -0.82540858      -4.07552758      -2.13598324 
Hf       7.61307191       2.49192058      10.29490640       0.27699558       0.39392520       6.25044575 
Hf       7.50821786      10.36367028       2.46715117      -0.32203363       2.14611268      -2.04110926 
Hf       2.53598088       2.48481393       4.81806137      -0.24459544      -1.42134298       3.62973488 
Hf       5.19013478       2.21846662       8.09662144       0.04624428       0.76591137      -1.59826819 
Hf       5.37356070      10.40594452       5.23801409      -4.96163181       1.90134522      -0.27091235 
Hf       2.74690244       2.22550545      10.28210498      -0.64340832       3.11570153      -1.70742351 
Hf       2.48586641      10.38692879       2.53727209       5.18043775      -1.47587458      -2.88624262 
Hf      10.44544741       2.52794346       2.31615970      -2.51603427       0.69594790      -1.74248098 
Hf       2.45960923      10.29989428       7.67444016      -1.60010872      -0.29112521      -0.50953298 
Hf       7.64353944       9.94261798       7.85207962      -0.40589685       3.33125589       4.84754110 
Hf       2.83789820       4.88813844       7.83238956      -3.55344938       0.52793712      -1.28959639 
Hf       5.08720641       4.91412340       5.38033808       0.65237906       0.92998419      -0.04608352 
Hf       0.16801045       5.19410482       5.24943209       2.14516997       0.07378109       2.33246404 
Hf       2.60125480       7.93638748       5.05644834       1.28435352      -1.21121319      -0.66501032 
Hf       4.77171118       5.30682862      10.37682315       0.70255611       2.67067068       3.12111595 
Hf       5.18046004       7.70389916       2.94051259      -0.87181764      -1.19627601      -1.60050610 
Hf       4.80430345       7.72435535       7.72730337       2.44660497       2.49092009       1.21978181 
Hf       7.80805376       7.65684962      10.21639305      -2.05356439      -2.01164387      -0.22230861 
Hf       7.82259215       5.23660544       2.56232744      -1.72644074       1.23543472      -3.67382018 
Hf       2.33390964       4.81049839       2.64568644       0.43931779       5.12963793      -3.19974432 
Hf      10.08256039       8.12290124       2.38971500       2.29710405      -3.35070555      -2.68567869 
Hf      10.34920118       5.09694123      10.15742366       1.53326992      -0.59964884       0.49173898 
Hf       7.96460561       2.46082917       5.00786591      -2.27011846       2.17065454       0.24461435 
Hf       0.15179862       7.85292205       7.52618958       0.30394676      -0.75721243       5.42886411 
Hf       5.02294457       9.98594114      10.41251415      -3.22712809      -0.74190770      -4.64566795 
Hf       1.98724973       7.76356121      10.42271126       0.89841921      -1.01538557      -0.12898989 
O       0.85158310       9.49146793       1.19249999      -2.51434760      -1.73014553       0.62726182 
O       0.94961151       6.39189035       1.50511806       0.89572077       1.44655383      -0.50919575 
O       0.31571407       2.08252858       5.64767623      -0.17599326      -2.30965607      -1.41059257 
O       1.10135069       1.14026852       3.21353179      -0.90100673       1.65561051       1.32260255 
O       3.62120138       3.86700071       1.38019956       1.13835563      -2.29959403      -2.65279746 
O       0.97876292       1.05428440       8.06064221      -1.11444015       2.14162799       1.38247029 
O       3.89085475       3.91073509       3.82989437      -1.79406142       0.70532595       2.11378965 
O       6.43321436       4.40310648       1.07305511      -2.14107705      -1.49560163      -0.06027663 
O       3.70615950       1.61702445       3.31112345      -1.55198766      -0.65500458      -0.22167936 
O       0.96088319       3.86226957       3.77358674      -0.32568854      -1.68375196      -0.30312475 
O       1.09484406       1.48271966       0.52986739      -0.00129739      -0.75330057       0.71684589 
O       2.11643854       6.29273273       3.91503377      -0.30053324       0.65892087       2.87787105 
O       3.91611942       0.83875415       0.88399702      -1.53750692       2.33556077       0.74830544 
O       1.54957178       4.03856570       6.35862186      -0.57252070       0.93424678      -1.42572203 
O       0.62985895       9.57401705       6.49124494       0.43864114      -0.57338758      -1.22319397 
O       6.07217756       1.58105892       4.28374313       3.54564929       1.38179684      -1.34349734 
O       6.39388897       8.74674191       8.95765165       1.80298782      -1.59900862       1.84062013 
O       8.53628317       1.18232894       6.85916473      -3.33327220      -0.50219486      -2.33835739 
O       4.08716225       3.68026581       9.10675679       3.75410006      -1.20227753       1.53860763 
O       1.38589129       9.21051253       9.14152373       0.46713643       0.57523739      -1.03960814 
O       0.89965749       3.75201318       1.04048220       0.45354245       0.63361589       2.79153914 
O       3.55046692       8.82931322       6.56471651      -0.60383027      -0.54693118       1.33930528 
O       9.46684002       9.02820106       8.92750669      -4.02861056       1.47328823       0.52931685 
O       0.30204836       6.96257550       9.42242712       0.35892115      -0.59398995       1.16599308 
O       1.31626092       9.14754096       3.50461911      -1.14899606      -2.37188653       3.53505180 
O       4.64310576       7.04564939       4.85858221      -0.73696378       0.63403984      -3.52085484 
O       3.15121583       8.90869202       1.16916308       1.43085551       0.79351838       1.92136617 
O       3.98687680       9.35340086       4.15705156      -1.58040185      -1.00368203      -3.35517942 
O       1.86474977       3.86205428       9.19965772      -2.12432305      -2.83433262       1.19524449 
O       8.81085199       4.02913356       0.54336376       0.29970106      -1.20527743       0.82255393 
O       4.81096037       1.55404011       6.36928388       0.69640368      -0.94616117       0.47527108 
O       6.97133152       3.28908541       8.79296117      -2.59296328       1.96427170      -3.74527683 
O       2.72850328       0.44274611       5.70159621      -1.66073933       2.97766199      -1.49049840 
O       3.90474089       3.73464337       6.67844329       1.79845087      -1.45009964      -2.14548344 
O       9.92352366       4.10667355       8.52116976      -0.89460376      -1.77211953       0.77402496 
O      10.16155257       7.33266870       5.78137503      -1.79078680      -1.37278314      -2.09271525 
O       9.11917860       4.24367004       6.16784930      -0.95368049      -1.77548957      -1.45253878 
O       6.44617884       0.71247202       9.39717835      -1.09490840       1.60156078      -1.44150967 
O       6.54909068       1.59850838       1.31057819      -0.41855549       0.06291088       2.71620799 
O       9.20289250       0.83563177       1.48886269      -0.07184483       1.91271021       0.59294086 
O       5.97937868       9.40788685       1.32698584       2.45341289      -0.88120805       5.50493882 
O       8.33902397       8.97290205       6.47669221       1.48466100      -0.86394260      -2.09935301 
O       1.82734012       6.56228364       7.06898629      -1.93334443       2.16818804      -1.27031486 
O       6.69160432       6.14229649       6.09420755       2.19022379       1.18715595       0.20432070 
O       9.06939926       6.11052058       7.92523250      -2.50058991       2.53929637       0.35437844 
O       6.52247461       3.60743089       6.22574874       0.53205508      -0.17388719       0.51489174 
O       5.88026680       9.65434398       6.92732691       0.77398525      -0.81816737      -0.29029745 
O       6.04141823       6.11827709       8.82897977       0.15325981      -1.44205240       0.00367450 
O       2.74314790       5.91706450       9.66183956       3.28398474       1.97348217       1.75188385 
O       5.83513184       6.97816134       0.73427133       2.19961738       0.50463427      -0.52839531 
O       8.86300936       6.45783013       1.13304915      -0.44474590       1.43821014      -0.64180475 
O       8.96879846       1.20462487       3.96657886      -0.14858825      -0.29063062      -0.36522189 
O       9.18087193       9.46803474       3.64520864      -0.89787242      -3.63461003       0.37381727 
O       8.31551584       9.00941559       1.02612080       2.06236269       0.58325512       1.60025899 
O       6.20720964       4.67205610       3.60287914      -1.36590311      -2.08000633       0.12581569 
O       7.02945368       6.93614583       3.45507588       1.73547539       1.52487996       0.15576859 
O       6.52081300       9.47745620       3.94349220       2.06853788      -1.86065209       0.08965842 
O       8.88324900       1.53915236       9.34581956       3.88726283      -2.43670691      -1.63169786 
O      10.01312459       6.49019465       3.80722625      -3.55716969       0.46289751      -3.25409596 
O       8.46322878       3.62733101       3.31142394       2.85582774      -2.53657180       1.34496855 
O       3.98032851       6.29771904       2.09487199      -0.40386222      -0.66144912       0.14276876 
O       3.72753901       8.40218215       9.24661192       1.35531082       0.48592879      -0.34380693 
O       3.77665490       0.85934085       8.82877599      -0.20522838       1.52012174       0.67168586 
O       4.27007291       6.19893904       6.80683855      -1.31625855      -2.87731151       1.71647480 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.028167505263849126 0.0029074109680080535 0.002112066607432049 0.0029074109680080535 -0.03723522583934087 0.014465686422529031 0.002112066607432049 0.014465686422529031 -0.03156874830363272" pbc="T T T" energy=-925.70408964 free_energy=-925.7042056 config_type=crystal 
Hf       0.15676264      10.37606980       0.00819985       1.28998712      -1.31375032      -0.93921159 
Hf       5.01498209       2.57363335       2.63150296       1.83544406       2.83145557      -1.80527252 
Hf       0.01630718       2.35542553       7.88439109       2.30648543      -0.28999111      -0.68878964 
Hf       9.87429348      10.17861980       5.03517735       4.59346813      -0.36862046       2.58710501 
Hf       7.80705916       5.09226273       7.65201957      -0.80211917       1.43105211       2.56563509 
Hf       7.58064051       7.82840539       5.17315767      -1.44325115      -1.23785203       2.19240478 
Hf       8.06781606       2.43154987      10.43868143      -4.48656313      -0.67884621       1.21616619 
Hf       7.46272317       0.03952121       2.73837290       1.41575068      -1.59106335      -0.53590203 
Hf       2.47777991       2.66439142       4.92766332      -0.27492420       0.82497609       2.39510579 
Hf       5.16635516       2.42684981       7.65812513       0.60022567       2.56648879      -4.41821611 
Hf       4.60236293      10.39338047       4.54335712       4.27553567       0.45121349       5.47272529 
Hf       2.86665754       2.50698417       9.74738369      -1.51991401      -0.10379088       5.40072395 
Hf       2.43074177       0.36336857       2.36350805      -4.16457652       1.52799199      -2.91378889 
Hf      10.12672995       2.38243220       2.97012890       1.41546110      -1.78129695      -0.50680486 
Hf       2.50752820      10.33159389       7.66899669      -1.38611238      -1.66742524      -1.42157321 
Hf       7.97586274       0.17577156       7.84291406      -6.23632144      -4.15318989      -3.76771777 
Hf       1.94210514       5.28372794       8.04794713       0.25173858       0.93708475      -2.95167056 
Hf       4.80605811       5.26188121       5.07391977       1.89961302      -5.63151801       0.84407486 
Hf       9.91671194       5.18553437       4.67496655       1.77191898       1.93808741       3.45986571 
Hf       2.32233455       7.24344372       5.31389697      -2.78326467      -0.94658152       0.60490505 
Hf       5.32628644       5.26589898       9.99144752       2.97290232      -0.53884200      -1.84707470 
Hf       4.77706004       7.78948086       2.77134028       1.59177226       0.43229346      -2.37970324 
Hf       5.12783766       7.66786351       7.37318546       0.67230376       1.91419902       1.49187658 
Hf       8.23407279       7.95007057       0.50317376      -5.29576870       3.23140154      -0.77788307 
Hf       7.38334782       5.34123081       2.31949653       1.21130673      -4.02629489      -0.59459731 
Hf       2.77189258       4.98131170       1.88639209       0.35390367       0.07575737       2.64151855 
Hf       0.52709845       7.81572298       2.22486670      -1.61973758      -4.28304062       4.47250641 
Hf      10.22774082       4.81594846       0.13755737       2.20337700       2.26135480      -4.88126196 
Hf       7.80106286       2.82662621       5.31492768      -3.51476913      -1.48073711      -0.91684899 
Hf      10.12959654       7.66942570       7.84373367      -0.43381646      -0.43802562      -2.00493855 
Hf       5.29526818      10.14898821       0.02107275       0.40271511      -2.59779890      -2.44596718 
Hf       2.76365516       7.57658485      10.21992519       1.37455548       3.99499119       1.89961136 
O       1.52120628       9.08619532       1.35353200       0.58844977       4.32930717      -1.70523759 
O       2.39051493       7.03488061       1.90343170      -1.53721149       1.03212389      -0.63037925 
O       0.50435519       0.76089431       6.76161127       4.56936031      -0.10055828       1.38111452 
O       1.02598170       1.13285824       3.94923961       1.80478093      -0.87726326       1.74526031 
O       3.84368903       3.39977468       1.09447314      -1.28511674      -1.26763457       1.02510774 
O       1.01318279       1.54548483       9.55951069       0.42870333      -0.23817789      -1.45609544 
O       3.33931490       3.95066134       3.59200717      -0.08342756      -2.28025329       0.01868144 
O       6.05139263       4.19046825       0.94017676       2.37783561      -3.45713434       1.66802143 
O       3.59469792       1.40998899       3.53664725       1.28447929       2.35068537       1.40852003 
O       0.62880249       3.50051374       4.66320568       0.14597238      -0.38184102      -1.99904950 
O       1.00484615       1.52260142       1.65983372      -1.82264701      -0.29370143      -2.76466845 
O       0.99987816       6.18271151       3.68154383      -1.03985036      -0.25697973      -0.13584260 
O       3.67570495       0.82662717       0.92229599      -0.14293041       0.07750670      -1.79264693 
O       1.88751888       3.59847025       6.89296082       0.08443598      -4.03480263      -0.78564126 
O       1.53601700       8.26349276       7.44845303      -0.02269249      -0.96022939      -3.10861964 
O       6.52610450       1.24292352       4.05491756      -2.16509468      -0.15288900      -2.15529053 
O       7.36155939       9.44302345       9.79097656      -1.78774844       0.93876978       0.08305865 
O       8.89829793       1.32037257       6.23298067      -1.54956762       2.50296867       1.98040250 
O       4.21586176       3.71505891       9.17792078      -1.28383211       1.25182045      -2.48505108 
O       1.74696745       9.53688632       9.23328949      -1.25852032       0.37089412       4.57462323 
O       1.31193419       4.06034868       1.03237341      -1.71708924       0.19539229       2.43767732 
O       3.91017672       8.54575403       5.65588560      -1.20274469      -1.16093426       0.31109451 
O       9.65489398       8.44506312       9.67753834       2.40105360       1.00627210      -3.11815438 
O       1.45894526       6.17833758       9.84116419      -2.56526599       0.07433607       1.41244473 
O       0.57444377       8.46868585       4.71757361       2.51688353       0.43635391      -1.63770835 
O       3.57212515       6.13936145       3.87696966      -0.69171411       4.97292366      -0.87781657 
O       4.58966241       8.42320739       0.76555554      -1.21136867       0.03014775       2.21362497 
O       3.60445619       9.61313719       3.13038055       1.59673354      -6.32283017       0.55394818 
O       1.32362180       3.81122392       9.22780939      -1.57780914      -0.51906505      -0.75912237 
O       8.79210682       3.94286611       1.07963333      -0.34435597      -0.11716697       0.37979671 
O       6.36228838       0.88319269       6.44909985       0.56424977       1.70320189       1.45806683 
O       6.45123088       3.91888930       8.63467549       1.83498209      -0.39297815       1.50430161 
O       3.67928994       0.55894772       6.13069408      -1.84828146       1.08963237      -0.56692697 
O       4.69754392       3.15865279       5.63958178      -2.48467291      -0.29085748      -0.09254511 
O       9.01039261       3.31955733       9.03340841       1.43025917       0.22711812      -0.56983404 
O       8.76716136       6.72590583       6.23487736       0.86873784      -0.80687057       2.00504497 
O       8.88690275       4.14650362       6.30417606       2.62197928      -2.14943137      -0.94085385 
O       6.20177570       1.51470311       8.83819327       4.92183898      -3.90682690       5.21850342 
O       6.18190530       0.86108065       1.28938194       1.28032859       2.36342663       2.52349565 
O       8.68667210       1.48855980       1.71106210      -0.43018307       1.18440267      -2.61672613 
O       6.72654845       8.49559644       1.94903565       1.27392201       2.35139015       0.07642053 
O       9.27206687       9.31690428       6.68270052      -0.94670388      -1.11881718       2.42943480 
O       0.66394318       5.77957934       6.54221722       0.56762947       2.17304763      -0.66833125 
O       5.99873770       6.55971126       5.84531241      -0.46783367       3.58757877      -0.93099329 
O       9.58134077       5.78134415       8.58141960      -0.02780246       0.46649020       1.93332128 
O       6.51312851       4.52377098       6.39697786      -0.36649171      -3.43417157      -3.78386179 
O       6.93278042       8.63905884       7.30584142      -1.23062870       0.49966104      -1.72948639 
O       6.16775594       6.36557623       8.37484988       0.09512864      -0.26675190       1.52669622 
O       3.29194247       6.77328025       8.63598398       4.02394602      -1.40081212      -2.86283531 
O       6.79303028       6.34560368       0.72544990       2.55848146       1.64846307      -2.47008798 
O       9.74290823       6.71996103       0.82880833       1.78558929      -1.88559907       3.27657177 
O       9.04760309       1.00693772       3.92852669      -2.08849108       1.96484098      -1.85420435 
O       8.63583243       8.94663817       4.09055372       0.16443519       2.56397260      -2.58880777 
O       9.23728350       9.64481765       1.31911442       0.42393203      -1.77241924       2.04532486 
O       6.30910804       3.87786463       3.49054594      -1.18097636      -1.01836002       0.55332513 
O       5.96375285       6.22023776       3.01518139      -3.74755066       2.50008569       3.24060750 
O       6.03462201       8.97080138       4.21854959      -1.29440514       0.20100738      -0.69595407 
O       9.37914687       0.68113192       9.02004653      -0.04007075       2.19891144       1.89819908 
O       8.60282967       6.33877041       3.79075392      -1.52138266       0.56265477      -1.92836416 
O       8.71927567       3.74294400       3.57457226       0.68919540       0.39155992       1.54742046 
O       3.96973442       6.00849795       0.67969711      -0.41277489       0.25792382      -0.17415507 
O       4.38212070       9.10657856       9.01373237      -0.73507187       0.13377697      -3.34851014 
O       3.70593688       1.26565915       8.47133307      -1.04765418       0.10703250       0.81936248 
O       3.24695926       5.63213957       6.41465957       1.82289950       1.80243953      -1.55442122 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0358551970639266 -0.00032051724718313906 -0.020217367017767437 -0.00032051724718313906 -0.04239269034276998 0.004602352090444384 -0.020217367017767437 0.004602352090444384 -0.03494578134715471" pbc="T T T" energy=-932.0487363 free_energy=-932.04875105 config_type=crystal 
Hf       0.25795687      10.33774456      10.34412894      -2.97590319       3.51042417       1.27479244 
Hf       5.17084924       2.45859390       2.30371947      -2.37163226       2.19136508       2.12908242 
Hf       0.06298046       2.31456632       7.75123224      -0.36214097      -2.71490380       3.12345844 
Hf      10.03848691      10.44844964       5.32524652      -1.90983184       2.81587015      -1.53236789 
Hf       8.19425790       4.87872211       7.93360755      -4.61255237       1.25648290      -6.00905923 
Hf       7.61494630       7.86103723       5.13157786       2.40371640      -0.07635306      -2.07861264 
Hf       7.68701226       2.54231586      10.27685315       3.46554387      -1.91387527       0.51767280 
Hf       7.53552438       0.04739430       2.52241867       1.27131970      -2.09061878       0.48174122 
Hf       2.60058538       2.42109602       5.04357952      -2.06288877       2.95752075      -0.04944126 
Hf       5.24069511       2.74765349       7.87233664      -0.66528840      -0.32052403      -1.94285828 
Hf       4.97133448      10.41487700       5.25767234       1.06805614      -0.08829819      -2.12856595 
Hf       2.62913801       2.46993141      10.18211698      -1.83213615       1.79962888       1.53136788 
Hf       2.37631753       0.16355667       2.51051808       2.20740461      -0.48570669      -0.82922768 
Hf      10.38856989       2.55270984       2.76701586      -3.03889322      -0.86801630      -2.78116398 
Hf       2.34354158       9.98302317       7.53780790      -3.01013910       6.80980865       0.04701143 
Hf       7.24822007      10.24341385       7.76132689       5.10469916       4.27239625      -1.57121008 
Hf       2.58106110       5.13645867       7.73454514      -3.13379534       1.56478017       0.27979567 
Hf       4.97194769       4.86349442       4.79286410       2.01980855       3.15329644       0.10095763 
Hf      10.29435578       5.18942978       5.00850330      -3.51723292      -0.62541399       1.25611683 
Hf       2.17341884       7.52479872       5.21862870       1.92503395       2.79770448       3.65766814 
Hf       5.44898945       5.56680066       9.80324462      -1.43203668       0.21557000       0.57185914 
Hf       4.97278834       7.90876906       2.62235811       2.69215672       0.54615740      -0.11142749 
Hf       5.08609427       7.60309553       7.25631453       1.78795654       0.62678579       0.47304830 
Hf       8.03649239       7.95504327       0.07304256       0.22729986       2.28838599       1.32819883 
Hf       7.41308648       4.75217497       2.46208061       3.54963778       3.92840313       1.42187981 
Hf       2.49355111       5.29455261       2.42348357       0.85533594       0.80349021      -5.30950897 
Hf       0.01792326       7.77119987       2.65123153      -1.27259298       2.39479295      -1.07508770 
Hf      10.39981049       4.95086249      10.34277503      -1.46176965       1.66681014       1.80700842 
Hf       7.69931350       2.57662720       5.21563882       0.33037888      -0.96453548       0.01713152 
Hf      10.07993536       7.50618061       7.77100875       2.51964678      -2.03836798      -2.05000051 
Hf       4.81783258      10.27174774       9.88905093       0.31919082       1.46684747       2.17234336 
Hf       2.83593516       7.83212152       0.00229178      -1.82112977      -3.73179633       0.84965487 
O       1.14652679       9.35976766       1.70630343       0.54002878       0.68412823      -0.60160403 
O       1.78242767       7.02101907       1.57451399      -2.26095112       0.53006791       0.65196663 
O       0.64268381       0.50470612       6.81567579       0.97682306       2.88246834       1.87588379 
O       1.31844857       0.99531814       3.95413538       0.05206122       2.46858997      -0.32130281 
O       3.78066942       3.40291276       1.24852242       0.16004743      -0.16675502      -0.73428223 
O       1.49888261       1.34777758       8.91959895      -0.47357501      -1.67398635       0.50180550 
O       3.02430865       4.26039157       3.86177117       3.77472159       0.12463813       3.79728792 
O       6.54823716       3.39801552       1.40374464       0.85672324       1.90928905      -4.44349347 
O       3.78337535       1.96892823       3.55850005      -1.14378444      -2.67718650       1.96518363 
O       0.74244753       3.80541183       3.89317982       1.55046784       1.54868448       1.75634184 
O       0.61903680       1.95109718       0.90763870       1.50046755      -3.29224795       1.20598218 
O       0.90708567       6.63022184       4.15414206      -0.29533261      -1.83401410      -2.87495591 
O       3.17512900       0.76293407       0.66959691      -0.22681779      -0.21289260       2.11674976 
O       1.83386538       3.53667666       6.90476031      -0.70777116      -1.85507195      -1.26594405 
O       1.37360931       8.60958948       6.86938770      -1.44637223      -4.56099804       0.27347292 
O       6.56975933       1.14662716       4.23463729       0.27504758      -0.07059491       0.15243140 
O       6.93373525       9.23103088       9.35384012      -2.69536158      -1.14056060       0.81425213 
O       8.51810892       1.16386750       6.86353374      -0.44922444      -0.05868750      -0.93765750 
O       3.74527252       4.22028509       8.97240763       3.11756866      -2.92103296       1.07123051 
O       1.79550068       9.32348019       9.65401126      -0.09768476      -0.52158786      -1.94123526 
O       1.38417913       4.18141153       1.25955023      -1.12581308       2.04490787       1.37853400 
O       3.92148147       8.82174793       5.94239259      -0.92905652       1.07081389      -0.58125592 
O       9.46715369       8.97658165       8.80033346      -0.61107441       1.47230789       2.76776506 
O       0.94150220       6.30354201       9.01808495       1.69623157       1.50478020       0.79030183 
O       0.71336143       9.16533978       4.63639305       4.75742203      -5.02240708      -3.81924997 
O       3.61179111       7.10881992       3.82179625      -1.25531391      -2.45477882       0.62008456 
O       4.07315356       8.98245487       0.93803715       1.23256768      -0.85704179      -1.67344863 
O       3.87582581       9.54552261       3.26147180      -0.48360219       1.59525221       1.55597458 
O       1.07441781       3.88943731       9.42828955       2.11572845      -3.42755431      -3.67116588 
O       9.04147513       4.01240239       1.22840617       0.18588595       0.89383446      -0.38338855 
O       5.68564980       1.27571497       6.58774791       0.88559426      -1.37157707       0.58992241 
O       6.50868655       3.89269659       9.07736572      -1.63060327      -0.56006920       1.10697052 
O       3.21900959       1.21947180       6.32344318       0.93417327      -4.00765829       0.45011696 
O       4.27049543       3.58033819       6.00374985      -1.34587781      -1.04714517       1.78216648 
O       8.86346506       3.57737961       8.99896906       2.93843097      -1.63363026       4.27353166 
O       9.05218592       6.14375381       6.56702556      -0.39502036       1.23820163      -2.00302502 
O       9.57842217       3.65245366       6.81874186      -1.23654006       2.92096002      -4.24382316 
O       6.42270410       1.14829442       8.92607837      -1.03734149       2.21107478       2.59672817 
O       5.75586168       0.81110528       1.90994073      -0.01765610      -3.93078968      -3.75707363 
O       8.26441640       1.62466927       1.47189174       0.30149497      -0.61018048       1.04272562 
O       6.76574437       8.68789570       1.67042425       0.59052562       0.67795643      -1.05739981 
O       9.23272829       8.82916020       6.04698751      -1.96982168      -3.82466052       4.11687760 
O       1.12727735       6.00804487       6.63741840      -0.51733700       1.32141867      -3.74941048 
O       6.23880815       6.68711139       5.82372127      -1.30513091      -0.95452745      -0.56379859 
O       8.98026282       6.18999871       9.05669162       0.22324663       2.33771035       2.40300834 
O       6.56220713       3.83024007       6.44534249       1.73105625      -0.12232557       0.71807709 
O       6.53514123       9.14716114       6.37190231      -2.02179717      -0.29673413       0.90848918 
O       6.41562130       6.12814075       8.04111322      -1.54912629       1.15089251       3.10077279 
O       3.89799500       6.78882956       9.01302664       1.35402725       1.22964661      -0.16307964 
O       6.84778002       6.54389453       0.45204250      -2.22601275      -3.74876356      -0.34961653 
O       9.49983095       7.20821815       1.05657357       1.92091489      -1.53345254      -0.22923228 
O       9.54081052       1.84485028       4.48182936      -1.06721845      -0.15994549      -0.33273253 
O       8.67011080       9.86350168       4.07466289      -2.85144874      -1.28175372      -1.87789001 
O       9.27361094       9.74874921       1.69373520       0.44202034      -1.05832658      -2.88875823 
O       6.35450372       3.71500825       3.76802133      -3.51224259      -1.58522992       1.66454877 
O       6.13811451       6.12688491       3.34577453      -1.15082715       0.14123434      -1.44092453 
O       6.22514086       8.73412983       4.10863973      -2.24022105       1.50319785      -1.57388972 
O       9.31548338       1.37463406       9.40305199       0.53245766      -2.05296928       0.52954454 
O       8.96424326       6.35796615       3.43873542       0.89888187       1.79382815       1.60658224 
O       8.62400165       4.05547562       3.95294527       0.83392455      -0.80806318       1.22105606 
O       3.90681414       6.13720249       0.93424106       1.51911533       0.12572098       0.98926080 
O       3.96446552       9.49527198       8.20572530       7.37282169      -3.18964196       4.01089815 
O       3.88234071       1.26498816       9.06181263       2.00542506       3.65408390      -1.87150829 
O       3.78546190       6.45793270       6.61523414      -3.23585409      -3.53988025      -2.59923825 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010478289379617442 -0.01013604702451042 -0.014056100062647976 -0.01013604702451042 -0.0035260337073069847 0.005203624988509132 -0.014056100062647976 0.005203624988509132 0.0008515689233554943" pbc="T T T" energy=-935.20172913 free_energy=-935.20176254 config_type=crystal 
Hf       0.13287511      10.33783300      10.33724051       5.83186483      -1.32305761      -3.74063005 
Hf       5.05924218       2.34098364       2.23487731       1.79657811      -1.19651831       0.04029099 
Hf      10.40414600       2.21786094       7.84827223       2.25107067       3.10064232       1.62056726 
Hf      10.04661119       0.04549741       5.26830087       2.93499136      -1.54809306      -0.87648266 
Hf       8.25298553       4.86946214       7.90925763      -4.17042779      -1.04799690      -3.75992243 
Hf       7.54748044       7.89531319       5.11403933      -0.16348305      -1.97851664      -1.87245598 
Hf       7.85331170       2.52619100      10.28161747      -2.39831496      -2.02556148       2.32992688 
Hf       7.61292067      10.41607067       2.48307016      -1.67693562      -0.31571500      -2.12690756 
Hf       2.59321770       2.37010532       5.16025975      -0.61919771       2.02392004       2.03746354 
Hf       5.19613757       2.72150736       7.77173416       4.44852256       3.22882001      -2.22064985 
Hf       4.99622896      10.38890502       5.39765860      -2.10301906      -0.47793661      -5.41360775 
Hf       2.52461783       2.46079745      10.32769366      -0.44964800       2.33258316      -0.32518321 
Hf       2.42317617       0.02373975       2.54819012       1.89197685       2.16511145       3.19664693 
Hf      10.33204498       2.64480748       2.58101463       0.38214732       0.43724350       1.18117321 
Hf       2.35551198      10.02844836       7.51799371      -1.78452673      -1.19738723       1.37411540 
Hf       7.22114705      10.28520968       7.74641779       1.57462718       0.02083844       3.29341319 
Hf       2.69412453       5.12002652       7.74187671      -2.33292775      -3.20028013       1.00676108 
Hf       5.03315612       5.00432373       4.77339320       3.98505372       2.32268145       3.41321388 
Hf      10.24110700       5.18127180       5.02383262      -1.44956718      -0.70603671      -2.20036946 
Hf       2.13040202       7.61169205       5.19760388       2.55600865      -1.30470484      -1.81325209 
Hf       5.43105875       5.63990089       9.93943846      -1.03591192      -2.03294747       0.05388659 
Hf       5.05826265       7.91809277       2.55890918       0.02699750       0.90101390      -0.15326215 
Hf       5.13553429       7.60981452       7.20988416      -2.46574468      -3.12546031       1.05505576 
Hf       7.99609862       7.90690535       0.02936826      -1.95584776       1.75833124       0.88665994 
Hf       7.55259099       4.84361711       2.38134602      -1.73910073       0.38789302       1.55463837 
Hf       2.50972150       5.39031415       2.55618211      -1.19189777       1.57014853       1.08142196 
Hf      10.33616877       7.80307175       2.69683831       3.12635750       2.25133810       0.18988617 
Hf      10.30528029       5.05226855      10.31556187       4.50339824      -0.83789134       1.21940478 
Hf       7.73564545       2.31031276       5.22467126      -1.07524948       4.00908638       0.46667746 
Hf      10.08758992       7.42102122       7.80105993       1.02550152       2.90678648      -1.04538771 
Hf       4.73951307      10.38704989       9.86068763       3.31445982       2.08964030       3.73546482 
Hf       2.75266691       7.74214182       0.06621808      -0.89966936      -0.72021711      -0.61658916 
O       1.15596939       9.50932316       1.64428293      -0.07125898      -1.97395616      -2.48332876 
O       1.36813863       7.02008842       1.49603507       2.77968924      -0.02800073      -1.72988349 
O       0.90092223       1.03108826       6.64871070      -1.33324169      -2.76906439      -2.11880819 
O       1.43445624       1.21096498       3.95146608      -1.84768153      -0.09327658      -0.80343157 
O       3.82578670       3.33532487       1.22054846      -0.58761328      -0.05192074       0.73616191 
O       1.63195584       1.05264466       9.01851909      -0.59089655       0.65691967      -0.88174134 
O       3.47021074       4.38760677       4.18477558      -5.66828062      -1.91952350      -3.11127238 
O       6.39058312       3.75216473       1.16483698       0.64698796      -1.16327959       1.30889469 
O       3.71588155       1.55346457       3.74063861       2.82969064       1.31424509      -0.35090501 
O       0.89534929       4.18291427       3.54686571      -0.70100694      -2.86133921       0.66799400 
O       0.73921881       1.93359528       0.92395195       1.12250041      -1.03540255       1.47938091 
O       1.01697491       6.50215250       3.77251918       1.53793961       0.80749539      -0.87812905 
O       3.38250105       0.72191002       0.82971313      -0.77104047       0.80629190       0.01960363 
O       1.61067837       3.65133325       6.71103440       0.90110363      -1.35910454      -0.03782494 
O       1.13445654       8.55583822       6.68492793      -0.85089837       0.96899386       1.81043905 
O       6.61112102       1.16467047       4.14058739       0.72682258      -2.11675425      -1.57418572 
O       6.62837037       9.33040201       9.73476710       1.95792394      -1.05369760      -3.56196900 
O       8.57738802       1.11765159       6.86249497       1.35917494      -0.18777072      -0.83313604 
O       3.94492942       4.29890290       9.27340800      -0.38398171       0.26037382      -1.86188052 
O       1.70651213       9.11697704       9.22183214       1.14710694      -1.14257316       1.67694543 
O       1.58173933       4.44733329       1.22056092      -2.27356503      -0.56484013      -2.99058866 
O       3.86393631       8.81365076       5.86087147      -1.37907555      -0.19721407       2.03570368 
O       9.26253676       9.07881058       8.97167259       0.42655363      -1.52083050       0.84192605 
O       0.94039697       6.54771898       9.12180018       2.11979749      -1.23188509      -0.06089230 
O       1.31513350       9.08990244       4.20379465      -2.23914861       1.41527632      -0.40139947 
O       3.60597724       6.99956493       3.82918790       1.40658569      -0.90544344      -1.58474190 
O       4.47799214       8.76138120       0.57617404      -2.77442306       0.02312018       1.10412605 
O       3.91710189       9.63286096       3.44227049       0.65312564      -1.39486256      -1.41883685 
O       1.13865882       3.81797692       9.23767252      -0.23982405      -0.22132577       0.03085979 
O       9.20682225       3.94317989       1.57072637       0.53519117       2.19967426      -3.71104085 
O       5.94872056       1.21943612       6.50014560       1.16667178       0.33710963       1.74144805 
O       6.83477650       4.15178936       9.34690532       0.53326394      -1.98789580      -1.17013969 
O       3.26417009       0.93043430       6.58442792       2.92693331       1.30260335      -3.27099349 
O       4.06994085       3.45023307       6.36553541       0.52171702       1.08600650      -0.32827592 
O       9.21363962       3.49250417       9.07682126      -0.73348421       2.18073400       1.04343683 
O       9.00364285       6.29076980       6.41501500      -0.55620177      -0.52270690       0.91031218 
O       9.67411924       3.89194774       6.58152010      -1.63001131      -1.77480218       1.47358677 
O       6.38551371       1.16908919       9.03715552       2.11890166       1.83752745      -1.20846384 
O       6.06397530       0.75622775       0.97318977      -1.28902291       1.74838827       1.97957599 
O       8.16801579       1.68818770       1.73285597       1.69934921       1.18848990       0.44266609 
O       6.71643203       8.83400438       1.50043412       2.84361620      -1.41356597       1.73299160 
O       8.76228767       8.58287827       6.63104574      -0.71110330       2.87538757      -1.90275010 
O       1.25968169       5.96247681       5.89204818       0.08057070       0.75340566       4.74482714 
O       5.93869782       6.69062563       5.63147183       2.29883231       1.44750448       0.56749569 
O       9.08304143       6.26845303       9.14989502      -2.13435229      -0.34751766       0.52335109 
O       6.74623872       3.80870387       6.58601847       1.85226789      -0.32427995      -0.21846615 
O       6.34859597       9.18465526       6.34036556       0.58599114      -0.77554487       1.01943460 
O       6.35584800       6.18926890       8.17042804       1.64875952       1.25507959      -0.04365292 
O       4.19544294       6.84798076       8.94651833      -3.09659022       0.74982946       0.15862574 
O       6.82702879       6.20838447       0.75683384       2.00573808       1.60253321      -0.37839372 
O       9.41135137       7.04488755       1.18185398      -1.39474635      -0.75648654      -2.20272018 
O       9.67639344       1.71759489       4.40928918      -2.30908008      -0.89398881       0.36791605 
O       8.98714456       9.46165653       3.71618507      -0.02945877      -0.54500978       1.99428433 
O       9.49107241      10.02985805       1.17153745      -7.77090614      -2.63949299       5.47169920 
O       5.85422428       3.52787312       3.84976518       1.48931629      -0.48903346      -1.65977960 
O       6.43481422       6.23569780       3.38632038      -0.92887221       0.10970478      -0.81588838 
O       6.10726298       9.02359697       3.95018921       2.41039847      -0.32546197       1.10341087 
O       9.51909200       1.27154774       9.74028718      -3.31112336       2.82692774      -3.38987878 
O       9.21468885       6.57307733       3.67998657      -3.55171958      -0.68566319       2.40566374 
O       8.57597958       3.81893898       4.04327402      -0.66780272       0.58841329      -0.42561687 
O       4.03873263       6.45694343       1.02032116      -0.43203420      -1.71157401       1.87425528 
O       4.57008790       9.12931156       8.40042593      -2.04037961       2.85234481      -1.75432105 
O       4.08841307       1.92878010       8.89904553      -4.49930758      -4.36447629       4.80979098 
O       3.55515819       6.20351068       6.46822851       2.34502669       1.83704037      -0.54922424 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0458188552978291 0.013254521901209858 0.023389042970361637 0.013254521901209858 -0.034569937353313804 -0.0060986659667528215 0.023389042970361637 -0.0060986659667528215 -0.018188705110082706" pbc="T T T" energy=-919.99578457 free_energy=-919.99908037 config_type=crystal 
Hf       0.11052653      10.04073798      10.13346778      -2.84254937      -0.68304282       2.66584705 
Hf       5.40515491       2.57132555       2.62488476      -1.27605517       1.48474055      -0.07265386 
Hf       0.09772699       2.39493167       7.77131437      -0.09802036       2.74025593      -3.18625055 
Hf      10.27144736      10.46466241       5.38222828      -0.40098420      -2.55335556      -2.52475939 
Hf       7.33047656       5.38855363       7.59640794       0.25946730       1.29441686      -2.04209425 
Hf       7.62986409       7.74895929       5.20832630      -0.16553948      -3.32299372      -1.00827476 
Hf       7.49391799       2.85644232      10.09454000       0.96443626      -1.50338455       6.04504042 
Hf       7.87331240      10.29974922       2.47760628       0.60227722      -1.44737057      -0.58725171 
Hf       2.78173521       2.79343799       4.81746271      -3.93068312       4.52220125       3.19827537 
Hf       5.45549220       2.14062781       7.52181921      -4.24665873       7.53915446       3.09817940 
Hf       5.16494149      10.36716275       4.95546740      -3.05795904      -0.97412873      -1.57548124 
Hf       2.77392680       2.33241277       0.05103173       2.23551899       1.57105215       0.54548020 
Hf       2.20852509       0.02705879       2.48112836       0.28563581      -0.71784094       2.37349417 
Hf      10.32023994       2.48783353       2.19552125      -1.97562612       0.35677953       1.71586652 
Hf       2.51597641      10.32397899       7.64017487       2.22791560      -2.03083682      -2.55780710 
Hf       7.72837270      10.22849627       7.59364936      -4.00246633       0.75913807       2.12100684 
Hf       2.28042945       5.08570953       7.89883706      -0.13389716      -0.74391735      -1.05321043 
Hf       4.96828881       5.24358692       5.31753094      -0.08174829       1.69919325      -3.32483705 
Hf      10.39957939       4.81088637       5.03072870       1.63118955       1.74211828       0.68457745 
Hf       2.78830746       7.46788290       4.95731521      -3.27010447       2.20362461       3.36337430 
Hf       4.95823645       4.94602637      10.35513970      -0.36999055       1.45133187      -0.61608711 
Hf       4.99587897       7.50788828       2.30670118       1.21380288       3.37130012      -2.53807027 
Hf       4.90682145       7.65425107       8.08940364      -2.35959603       2.18716571      -1.02186959 
Hf       7.76632136       7.94751839       9.89512676      -3.74850792      -3.39240831       2.69822149 
Hf       7.47402604       5.35302235       2.72790712       2.01378895      -2.45557034      -0.24055783 
Hf       1.92711712       5.04496524       2.36882373       4.06404837       2.88086325      -0.63348271 
Hf      10.30070834       7.90761244       2.42779355       3.22745993      -0.60129287      -1.68431797 
Hf       9.98631981       5.58649187      10.34997494      -3.77003391      -1.46333858       5.91732048 
Hf       7.85688078       2.49794315       5.10367424      -2.21509148       3.20112991      -1.90468676 
Hf       0.23911049       7.71710385       7.77281082       0.64520608      -2.07637088      -4.46019386 
Hf       5.41372704       0.21337023       0.07681406      -3.17037202      -3.37735872       0.20015736 
Hf       2.39574667       7.84961358      10.45369812       4.83188387      -3.86735370      -1.42684897 
O       1.28953234       8.94970749       0.98107312      -0.84297721       5.53640959       4.77254713 
O       1.14123780       6.44992218       0.71783469      -0.09449248      -0.42218911       2.74647757 
O       0.69418484       1.40284151       6.10338033       2.98293948       3.01223915       1.69594217 
O       1.03128137       1.56165134       3.63987590       1.48364317      -2.18984237      -2.29911580 
O       3.45352207       3.11394851       2.17437555      -1.16922200       1.47527375      -1.52691877 
O       0.19332903       0.17358235       8.16329574       1.91879265       0.66601293       2.11537641 
O       3.31220493       4.85382480       4.36592457      -3.00593021      -1.39517591      -1.40388502 
O       6.37273186       4.04235907       1.39792784      -1.74863256      -4.06440583      -0.37253417 
O       3.82849650       1.46072180       4.19270655       3.07950720      -4.18775627      -2.10931589 
O       1.22603798       3.77424422       3.65067692      -2.01461468       0.40595271       1.80614186 
O       1.26485032       1.19235252       0.90570664      -1.73557763       0.03811950      -0.87384101 
O       1.60442377       6.74893053       3.52812399      -2.03191583       0.30590641      -1.31495878 
O       3.77350782       0.82791975       1.46095582      -1.16461066      -0.55838946      -0.69477050 
O       1.28634088       3.83563142       6.52045181       3.65171303       0.84759444      -0.35327473 
O       1.85296619       9.36449733       5.90223242      -3.85098670      -0.03099099       1.40074759 
O       6.30381194       1.44785685       4.21255015      -0.37598240       0.20962961      -0.44801814 
O       5.88132860       9.35086636       9.12095754       2.88608576      -3.39673128      -1.05397200 
O       8.43575940       1.40005122       6.38272227       2.28940496      -5.30564345       6.32925537 
O       3.77245398       3.88989657       8.77635791       0.85555165       2.48261753       0.52220660 
O       2.31371155       8.11200006       8.51002295      -2.31970233       0.89658214      -2.58501383 
O       0.46525179       4.18712378       1.31310588       2.53886307      -2.08840086      -1.13965593 
O       3.91902128       9.02964005       6.76973765       3.11879141       0.38897816      -1.49688742 
O       0.22052922       8.03061520       9.63585429      -1.91952261       1.71703258       0.47666369 
O       0.45761754       5.62349784       8.82174741       4.41747997       0.90488146      -6.87773213 
O       0.18457636       9.62511000       3.64473703       4.46420838      -1.35068677      -2.05589232 
O       4.20789772       6.92543755       3.87742180       0.19221386      -1.25767681       2.52270940 
O       3.97765314       8.73443994       0.95554417      -1.20385135      -1.30549088       0.89830268 
O       3.27891561       9.16512020       3.91245311       0.64924421       2.50328554      -1.62368380 
O       1.58589169       3.33319144       8.77968585      -1.60384520      -3.53695220       3.23628241 
O       8.78643058       4.33903889       1.03206832      -2.14668886      -1.31209507      -0.82916839 
O       5.88603755       0.66469360       6.66028631       3.07068593      -5.06080669      -2.22312004 
O       6.66870606       4.22883012       9.21195330      -1.79561910      -0.38675564      -0.81496000 
O       3.52606111       1.44406034       6.88921110      -0.30129507      -0.09630942       0.89127746 
O       4.52196368       3.57569151       5.91013294      -0.80222418      -5.53634444       3.23471947 
O       9.00870703       2.65917559       9.03733983       2.26394903      -0.21943677      -1.12369372 
O       8.79671174       6.27643822       6.51512922       0.30457181       1.76697459      -1.18405380 
O       9.57540351       3.70546381       6.22233749      -3.37800596      -3.12104423       3.11739759 
O       6.66996022       1.12057836       9.13401329       0.63814324       2.30157545      -1.15727147 
O       6.27792253       1.09532697       1.61615512       1.78396739       0.72971807       1.00150727 
O       8.74668550       1.35385991       1.40330255       1.44072456       1.84525264      -0.19849466 
O       6.38276822       8.97930475       1.30053326       2.44164285       0.78740315      -0.91777083 
O       9.10928553       9.34011517       6.71861507       3.20482629      -3.28222958      -2.40432466 
O       1.01367209       6.51820158       6.28946759       1.06412527       0.20222748       0.27679367 
O       6.19257496       6.46417966       6.14621284       1.41380701      -0.52469152       2.20410370 
O       8.39060078       6.10368364       9.02872091       3.10281473       2.18676345       1.66245078 
O       6.98464107       3.61320750       6.79512624      -1.55855092      -2.23356309      -0.96448191 
O       6.88546252       8.22969855       7.05104796       0.86841379       4.60086181       1.04042634 
O       6.12350862       6.41959124       9.00946645      -0.12268226       0.86631377       0.80943446 
O       3.75493000       6.53144572       9.53922594       0.95082749      -0.80298832      -1.08906352 
O       6.15909589       6.22539906       1.59251093      -0.25917984       0.55932227      -4.46749661 
O       8.83140416       6.95496291       0.78442871       0.22652719       1.54712967       2.23914266 
O       8.76569578       0.62896011       4.12073290      -0.87588334       0.72467348      -0.58994318 
O       8.89427389       8.28072598       3.39625364      -7.55744893       0.74243244       4.19900281 
O       9.43941753       9.45954016       1.30254235      -0.80432957       0.54434472      -0.78594508 
O       6.09516426       4.28848107       3.94461596       1.38783357      -3.17481768      -1.51926751 
O       6.44425871       6.61872901       3.80659253       2.91190975       2.27585705       1.89507071 
O       6.41482640       9.13605326       3.88471999      -0.81837849       1.67454797       2.40676868 
O       8.51444984       9.59194701       9.39707254       2.01277859       2.23223271      -1.38008254 
O       9.31225477       5.87565403       3.86375608      -1.28364938       1.99878137      -2.48950831 
O       8.87290002       3.51513251       3.88879615       1.91782559      -0.26178918      -3.55943792 
O       3.52982506       5.74140963       1.27078350       1.10121480      -0.43297013       1.02144457 
O       3.83487481       9.97608031       9.21515020      -3.34792581       3.20474352       0.08783993 
O       4.71921105       2.41921053      10.15246111       1.22462947      -1.56144592       0.81271127 
O       3.76867296       6.32225097       6.92833417      -0.75616397      -0.89342451      -1.67078442 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03035276629846077 0.014162996311024438 0.010409934656063108 0.014162996311024438 -0.042353426662858976 -0.008346976991414604 0.010409934656063108 -0.008346976991414604 -0.012011943296482783" pbc="T T T" energy=-925.85105802 free_energy=-925.85121256 config_type=crystal 
Hf       0.02891173      10.02578879      10.04776425      -2.74801719       8.38736275       5.35931273 
Hf       5.43799460       2.55752545       2.67012355      -4.02939254      -3.97326260       2.63204964 
Hf       0.09252979       2.36059290       7.86085501      -0.63744625       1.43568429      -5.46835991 
Hf      10.22926030      10.37326601       5.33269416       3.70967716       1.42402018      -1.35270934 
Hf       7.31510453       5.51954744       7.62238254       5.18676488      -2.46760871      -2.85449303 
Hf       7.58105423       7.68567479       5.10150470       3.51533559       0.33203686       0.70041249 
Hf       7.58802368       2.83259665      10.12225230       0.79562758      -1.63804954       2.91953081 
Hf       7.87938238      10.16943163       2.48674149      -1.32089272       0.77475819       1.05214821 
Hf       2.66543657       2.84891576       4.79824331      -0.01916517      -3.77591001       1.04108516 
Hf       5.46811423       2.14919241       7.57799978      -3.43645579       1.26389901      -0.05886828 
Hf       5.11649900      10.41800503       4.94230344      -1.42289022      -0.46093145      -1.29143316 
Hf       2.87117768       2.26669591      10.41433537      -0.62734752      -1.73144145       0.48478253 
Hf       2.26639721       0.04095393       2.50122441      -0.02604873       0.91910002       2.65802476 
Hf      10.33474484       2.51520191       2.20749647      -0.23693901      -2.08790761       1.35620757 
Hf       2.38703262      10.28191293       7.62478683       3.73963231       2.45108203      -3.31545644 
Hf       7.53399035      10.25290366       7.64163773       4.12978837      -2.57843828       3.85180412 
Hf       2.17278302       5.12916561       7.86960465       7.50882127      -5.11546373      -2.98461209 
Hf       4.99484020       5.26602510       5.38518163       0.82251675      -7.05285722      -3.42152712 
Hf       0.13320155       4.89644097       5.14342455      -3.75627348       0.03680061       2.68824033 
Hf       2.84018475       7.57313645       4.92946319      -1.54091713       2.12131044       1.34821903 
Hf       4.94930773       4.93914746      10.42343647       0.51785797       1.92691890      -1.48993228 
Hf       5.07852249       7.55713551       2.36798958       0.32916566      -0.19599206      -2.33265401 
Hf       4.95379784       7.74261416       8.09556499      -1.79875635      -1.04033891      -2.51165263 
Hf       7.66526266       7.91328418      10.03846420      -2.29455180       0.15648159       1.68487375 
Hf       7.46257926       5.28090217       2.69589677       2.62176613      -2.57339372      -1.20870857 
Hf       1.97120201       5.09311887       2.27554027       4.24883330      -1.38031598       0.58477093 
Hf      10.26055623       7.98445968       2.32671235      -0.07558179      -0.88491650       2.53682220 
Hf       9.79367443       5.51566291      10.27908706       2.17464141      -0.31037356       2.86716028 
Hf       7.75735078       2.53460510       5.15333950       2.44728588       1.09514900       0.19500132 
Hf       0.27749350       7.82305444       7.81412374      -0.96286222      -2.83786582      -7.54145483 
Hf       5.47151198       0.08172438       0.10772912      -4.76957360       0.90447052      -1.68107164 
Hf       2.34246806       7.85608169      10.44876174       2.81139424       0.19429907      -0.21267250 
O       1.26799499       9.17611473       1.42437855       1.46194830      -2.28733616      -5.28220383 
O       1.13314701       6.53315422       0.78724621      -0.16255926      -1.26010771       1.02056512 
O       1.03548532       1.51752165       6.02044449      -1.56845794      -2.00462024       0.92209832 
O       1.32232305       1.42521814       3.67682295      -1.10911653       0.40931315      -2.75136261 
O       3.15949344       3.06127035       1.82789598      -0.21728616       1.09603448      -1.31614776 
O       0.62617715       0.49068005       8.25124940      -0.82980427      -2.81895149       2.66514772 
O       3.21541194       4.59736773       4.22090930       2.19629712       0.54612763      -0.68114642 
O       5.87302220       3.75138866       1.32333534       2.09745610       2.23190162      -2.39724642 
O       3.95910170       1.22298405       3.90185326       0.09865630       2.59233732      -0.15192178 
O       1.08860893       3.83332927       3.77319875      -1.14542763       0.61222145      -1.47997744 
O       1.01603745       1.20081800       0.65683024       2.11247749       0.54648794       0.43911304 
O       1.74849080       6.59629733       3.45132302      -1.50947732       2.21110828       1.67482836 
O       3.72280850       0.24727046       1.30601755       1.06753813       1.74816595      -1.16990557 
O       1.67286864       3.85405925       6.21580260      -0.19242737       1.79019589       2.68516770 
O       1.54643568       9.11015161       6.04094683      -0.79036145      -0.41659914       0.40738721 
O       6.57237463       1.39990815       4.13619661      -2.45309696       0.65034004       1.16762743 
O       5.91833970       8.84228063       9.25992806       1.69981677       3.20893401       2.24240967 
O       8.60783461       1.26254650       7.13253685       1.75835490       0.57500828      -3.67329454 
O       3.79976302       4.13611560       8.85104660       0.59652945      -1.01490751       1.59271347 
O       2.19915062       8.38361177       8.29072749       0.27309941      -2.15385942       2.56104856 
O       0.46923324       4.16452254       1.35496210      -0.73945649       0.08196616      -2.07757934 
O       4.42379397       8.87479336       6.53580437      -1.60734442       0.21426835      -1.91443179 
O       0.13398766       8.26074318       9.66476298       0.57385815      -3.60510568      -0.23589998 
O       0.69178400       5.76799064       8.60576021      -5.23000414       2.18594503       4.38611941 
O       0.71734309       9.27210486       3.53725701      -1.76195775       0.60240592       3.42400301 
O       4.44348288       6.65832788       4.19471198      -1.94413497       3.90761641      -1.86186155 
O       4.01095188       8.34775530       0.81364657      -0.58994600       0.09619557       0.96988506 
O       3.45191991       9.40570182       3.81799922       0.71301372      -3.87276189       0.95048021 
O       1.59725903       2.99738896       8.89828160       0.40225882       1.22552100       0.97004563 
O       8.34811868       4.51431006       0.71094437       0.17098146      -0.38038744       0.58588846 
O       6.10729532       0.28960635       6.63069805      -2.50468961       3.60185567      -1.45509279 
O       6.70609373       4.05479479       8.97930307      -1.79094367       0.39513567       1.19476652 
O       3.76669087       1.20441754       6.96402737      -0.78714745      -0.70597106      -0.53617586 
O       4.72159671       3.11346320       5.93944374      -2.09308607       2.10013797      -1.34829246 
O       9.05636079       2.72098928       8.94924624       0.08690853       1.65257248       2.39076680 
O       8.99580597       6.35590117       6.51535969       0.45022603       1.02562296       0.11717221 
O       9.47320965       3.74220760       6.57085012       1.54091829       0.42133293      -2.11146151 
O       6.70938619       1.35190691       9.03755899       0.13739106      -2.64990279      -0.13961445 
O       6.35817778       1.06143983       1.83105928       0.97659762       0.69253846      -2.23840334 
O       9.08607108       1.38163438       1.02437085      -1.38330643       2.30067951       1.64489305 
O       6.32460419       9.31955107       1.22025771       3.78686420      -4.59132857       2.62950900 
O       9.34195994       9.12569936       6.57987188       0.24305916      -0.51429715       0.78615516 
O       1.42796217       6.35313516       6.49068133      -0.41331385       2.31774855      -3.00070057 
O       6.50104025       6.38789812       6.00313926      -1.26584606      -2.89144786       1.01994318 
O       8.63715871       6.47586339       9.06421452      -0.50056356       0.24837973      -1.88847152 
O       6.84680321       3.43319692       6.77471328       1.29807885       0.91126599      -1.71833656 
O       7.00168810       8.35693855       7.14253490       0.08728649      -0.42359130      -0.28883632 
O       6.18756731       6.33238979       8.85208903      -0.36750135       1.64004593       1.30402604 
O       4.00587525       6.46508017       9.52687331      -4.11845191       2.89516249      -1.00157948 
O       6.27738478       6.51044162       0.91445377       1.05013206       0.46845712       1.00141010 
O       9.12792343       7.09822498       0.86890759      -1.39636345      -1.18379372      -0.16511107 
O       8.66406364       0.61522333       4.20171826       3.00376369      -0.29219902       0.46400203 
O       8.29844913       8.12284911       3.31399978       4.55640551       3.49247840      -2.66767295 
O       9.40014573       9.49754838       1.42486899      -0.51246215      -0.05767560      -1.02400035 
O       6.25673319       3.91425728       3.81764483       2.00183474       1.97150857       1.34259871 
O       6.62469213       6.64059311       3.61084099      -2.54414256       0.78015170      -0.63061529 
O       6.54439303       9.32232085       3.89368450      -3.36448090      -0.10694216       2.32839218 
O       8.49789053       9.97949637       9.54290418       0.08208671      -2.66864074      -0.47709627 
O       8.94218742       6.01202820       3.91911851       1.86876443      -1.01433611       0.03191138 
O       9.03297741       3.57030728       3.67678768      -1.09652385      -1.96500580      -0.11043377 
O       3.90533191       5.93395412       1.59641901      -0.91209474      -1.34395271       0.48062119 
O       3.56834487       0.05073260       9.17730840      -0.76611786      -0.93589046       1.20689402 
O       4.75864224       1.93636862      10.21244625       0.16674490       2.91026232      -0.65933024 
O       4.12550057       6.14327717       6.70622801      -3.82636424       1.52582434       3.61500369 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04567392786162418 0.02358476611094986 0.005660795440562205 0.02358476611094986 -0.037308735057033235 -0.009489201978498875 0.005660795440562205 -0.009489201978498875 -0.027154738338571068" pbc="T T T" energy=-926.22810079 free_energy=-926.22867783 config_type=crystal 
Hf      10.42051807      10.08663310      10.05773980      -1.92829088       0.76100472       6.07010023 
Hf       5.41792597       2.52202117       2.71856384      -0.33412897      -2.62431494      -0.71407177 
Hf       0.08316275       2.35962457       7.85154292      -0.72853769      -1.04659734      -1.40340990 
Hf      10.24599712      10.33562160       5.29052207       5.13781441      -2.37485237       3.00207114 
Hf       7.35271420       5.56764790       7.60667999       6.03753192      -2.39006232       3.92988133 
Hf       7.58525118       7.64471385       5.04493897       3.66410709       1.35466870       0.58404276 
Hf       7.64916544       2.79985743      10.17661657      -2.86635508      -2.51792975       2.69060016 
Hf       7.87329608      10.10459708       2.49997736      -0.84462023       5.04747567       1.89924459 
Hf       2.59571473       2.85473015       4.80464957       0.79618008      -3.58350234       0.34487790 
Hf       5.43727526       2.17919545       7.61220426      -2.47643981      -0.11191356       0.94198422 
Hf       5.06805828      10.44229666       4.92198205      -5.19886751       1.18565719       0.99515003 
Hf       2.92199171       2.21451249      10.36179034      -1.50360706      -3.98465228      -1.81623672 
Hf       2.29603906       0.04796994       2.53927501       3.36126632      -4.42074112      -2.02408666 
Hf      10.33948718       2.51231042       2.22918411       0.77745697      -0.73663645      -1.29207822 
Hf       2.35602912      10.27566199       7.58160204       2.09569018       0.05485492      -1.51745501 
Hf       7.46085474      10.24944615       7.70149665       5.52080493       0.46012087       2.44699429 
Hf       2.17099832       5.11299125       7.82908329       3.06752025       2.21592083       3.68792322 
Hf       5.00916131       5.21754105       5.38387650      -4.00499962      -2.38215494      -0.91594099 
Hf       0.20615075       4.94724777       5.23220022      -3.47153322       3.34437086       2.32450696 
Hf       2.84950291       7.65328410       4.93064409      -5.97004614       4.17661145       3.21739191 
Hf       4.94944264       4.95791388      10.44642014       0.72072133       4.23540441      -1.83562836 
Hf       5.12454918       7.59010561       2.37902974      -1.68605664       1.28749241      -1.72763651 
Hf       4.95456710       7.77534459       8.07199940      -1.35112862       0.30227554      -1.00084382 
Hf       7.58971491       7.89000620      10.13568201       3.88460967       0.16251157       1.17791310 
Hf       7.48210123       5.21650982       2.66718234       3.71127113      -0.87063543      -1.35677337 
Hf       2.04772721       5.11050731       2.23088445       0.55004995      -0.46958144       0.61769239 
Hf      10.24101280       8.01353593       2.29599018       1.67238966       0.63730778       1.17717360 
Hf       9.70386167       5.47199238      10.27325581       2.70260945       1.18392136       2.14394520 
Hf       7.73203859       2.56875243       5.18361717       3.65948994      -2.44676525      -3.89825124 
Hf       0.29022668       7.84923449       7.75895818      -1.91726641      -2.29113927      -4.48838314 
Hf       5.45698604       0.01083587       0.11452168      -1.73272539       3.25359886       2.01674171 
Hf       2.34447590       7.85819586      10.44155545      -2.79009985      -1.51685661      -2.32936693 
O       1.48737513       9.18118341       1.20345590      -1.95594124      -0.07971808       0.46147070 
O       1.08883500       6.40756390       0.98158345       0.88427744       0.86077572      -0.18988404 
O       1.08782145       1.37360774       6.07780272      -0.34700718       0.17901827       0.53747717 
O       1.34855951       1.36285581       3.37458641      -2.16012672       4.32840564       2.16386826 
O       2.96678778       3.18049732       1.49708483       0.55500533       3.02019518       3.47426002 
O       0.81639793       0.36406331       8.60334336      -1.29686553       2.56813358      -3.42068921 
O       3.32248661       4.46494508       4.06068873       1.72090706       0.18821392      -0.31793495 
O       5.80408511       3.72011000       1.09480607       1.63532469      -0.91098933       3.28431379 
O       4.10879955       1.25278457       3.67603798      -3.42122598       2.36079886      -0.90593177 
O       0.86766127       3.97235296       3.70663048       2.20162490      -0.34399873      -0.06219538 
O       1.06678282       1.26079446       0.56007096       1.34802056      -0.56290382       2.00498952 
O       1.62518034       6.78125601       3.58483028      -0.66935230      -2.23048050      -1.06006042 
O       3.81380792       0.12757084       1.08379961      -1.10296471       1.07022454       3.13639087 
O       1.96004191       4.03844062       6.29973326      -1.86443590      -2.19565387      -1.48639947 
O       1.25685184       8.94227669       6.20142006       2.76685931       1.44827834       0.52132527 
O       6.40358172       1.42083448       4.17875291       1.53758746       1.62412152       0.71345222 
O       6.17480650       8.97025054       9.57941991      -4.90314948       0.73785778      -5.54591590 
O       8.86157088       1.16935807       7.21608936       0.80517874       0.11691937      -2.10506157 
O       3.88603517       4.19414524       9.06407113      -2.20857842      -0.98113010      -1.27868271 
O       2.12953207       8.35022836       8.39841652       2.55972939       0.95230155       0.65859762 
O       0.35195612       4.08202691       1.10989027       0.18912797       0.73861156       0.37166797 
O       4.54936649       8.85152637       6.16420256      -1.64556482      -2.03540133       2.89865625 
O       0.10926671       8.14528352       9.67842200       0.94108673       2.39423507       1.31478355 
O       0.54370873       6.00784057       8.70139197       2.32260732      -3.63567118      -0.34931687 
O       0.88616593       9.15766889       3.79651263      -1.67984630       1.72789924      -1.03230515 
O       4.32472186       6.85195645       4.28952560       4.80981354      -3.50396189      -1.53849560 
O       3.93330901       8.13208637       0.84439774       3.50711075       1.56224975       2.69386706 
O       3.62686631       9.19535140       3.82384961      -0.85991850       0.36122344      -1.86717466 
O       1.61561894       2.91143832       9.09968991      -2.20271391       2.34410251      -3.73974243 
O       8.08331723       4.52217635       0.59659329       1.26044291       1.27027791       1.69493136 
O       6.12021187       0.33570190       6.47946450       0.95622553       3.91567960       2.07541583 
O       6.49114760       4.01655591       8.94934755       0.10358832      -0.10866665      -0.39580430 
O       3.79761692       1.00527704       6.96619419       0.55609920       0.86460399      -0.96516394 
O       4.60216303       2.95833234       5.89227865      -1.68929229       3.40400293      -1.45756718 
O       9.12372387       2.92647627       9.13076165       2.93834630       1.63458400      -1.62234115 
O       9.15079469       6.53657321       6.49300211      -0.98284488      -1.32842119      -0.76260489 
O       9.52941324       3.76774869       6.57424661       1.95275215       0.25026790      -1.69481961 
O       6.74079159       1.21751389       8.94030434      -0.60829056       0.18859524       0.22573373 
O       6.52706289       1.11644965       1.72504924      -0.96729984       1.08899264      -1.21897630 
O       9.14667781       1.65539259       0.98499711      -2.48904553       0.63751823       0.29529685 
O       6.69391777       9.11109734       1.36703989      -2.87246473      -1.57372980      -0.46664275 
O       9.49091427       8.92252268       6.55857296      -2.65143708       2.51721689      -1.03709884 
O       1.62440982       6.47776280       6.35723728      -2.27916148      -1.19643692      -0.25880895 
O       6.63545222       6.10044101       6.00097506      -1.96480983       0.86276610      -2.97090520 
O       8.81923919       6.76498317       9.00945913      -2.89054727      -2.21287994      -1.73692643 
O       6.84849727       3.39101217       6.58947253      -0.84408735       2.07895966       1.73818335 
O       7.09908960       8.47553378       7.18928124      -2.16504117      -4.51617285      -1.52522255 
O       6.20964084       6.43773544       8.89868528      -0.82744492       0.88422997      -2.40164573 
O       3.70268127       6.73818875       9.37921009       0.52276741      -0.87044039      -0.52847007 
O       6.48861844       6.63832645       0.55986488      -2.90452161      -2.69230686       5.31281926 
O       9.12455352       7.13170343       0.94765266      -0.96545846      -2.97333471       0.35746088 
O       8.90282802       0.59945234       4.27991323      -2.73459137       1.60488455      -2.25865208 
O       8.32102912       8.37920372       3.12666296       2.99099501      -2.32839934       3.77441600 
O       9.26837167       9.57380793       1.32914303       3.06243168      -0.40021938       0.43806519 
O       6.56287289       3.82358555       3.82619949      -1.22783134       2.28105253       0.53180390 
O       6.63046015       6.76804223       3.48020314      -1.36565578      -1.45728996      -0.36349767 
O       6.30522812       9.40121841       4.16083373       4.62507251      -4.88636401      -2.41084799 
O       8.51223603       9.92540182       9.54169449      -0.11484976      -0.85538405      -1.28876795 
O       8.91524491       6.01305807       3.92372804       0.53139687      -0.60703285      -0.17198679 
O       9.01165483       3.36171162       3.51071923      -2.04702931      -0.21720354       1.01023964 
O       4.00978783       5.88555119       1.83633959       0.08764020      -1.13899082      -0.74557162 
O       3.28166560       0.32421713       9.27225787      -0.02555520      -1.89434408      -0.48576425 
O       4.82423340       1.93173879      10.17512786       2.34769766       1.04187453      -1.36647569 
O       3.89605603       6.16468474       6.90598140       2.57719169      -1.20267808      -1.57105506 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.027987617125264194 0.0037002122756227902 -0.008701619458807671 0.0037002122756227902 -0.014816839755249037 -0.002370166379099869 -0.008701619458807671 -0.002370166379099869 -0.013207735898326748" pbc="T T T" energy=-931.14888813 free_energy=-931.14916294 config_type=crystal 
Hf       0.02344000      10.39872409      10.38582408      -0.77820581      -0.78619416      -1.00437106 
Hf       5.21842660       2.22746064       2.19234131       3.09258898       6.05932203       5.35175142 
Hf      10.40230322       2.49031988       7.56934099       1.88161312       2.24849708       0.13868881 
Hf      10.11874655      10.06897474       4.98888870       1.25160716      -0.74359469       3.08994946 
Hf       7.20342715       5.21193724       7.82435560       1.20766757       1.65302398      -1.11484581 
Hf       7.51301902       7.43058283       5.01599114       4.44080522       3.22119285       7.00782904 
Hf       8.03990762       2.43786371       0.21843943      -0.60069906      -2.40216783      -0.12029563 
Hf       7.98504390       9.96653995       2.35159187      -0.80692493       5.00822523       0.87781086 
Hf       2.40256823       2.62234074       5.02502629      -0.02637251       0.88393944       1.26302913 
Hf       5.30291646       2.23906881       7.73120778      -0.50730709       3.75049531      -0.60075556 
Hf       5.26018548      10.26095677       4.99165795      -0.92531711       0.31371739       0.88712422 
Hf       2.34842281       2.47991648      10.28771131       0.03570708       1.19461948      -0.24046443 
Hf       2.46203006      10.39754434       2.63183107      -2.46065810      -0.34239543       1.35525651 
Hf       0.10307763       2.82440926       2.37560552      -3.18108512      -2.67142293       3.94775513 
Hf       2.47426232       0.10931109       7.63425068       0.24891592      -0.59338978      -0.49667766 
Hf       7.57937315       0.03462648       7.64068698       7.92101548     -10.17891969       7.15682301 
Hf       2.02544686       5.14507978       8.12738517      -1.47406903       1.12800920     -10.87597374 
Hf       5.18751541       4.80722237       5.22443775      -1.29926854       1.77835122       0.13084365 
Hf      10.15692295       5.31073335       4.79800405       1.08430175      -3.46307714       3.06600768 
Hf       2.71251679       7.78682632       5.04530801      -3.71788300      -1.64746941       6.13728470 
Hf       4.84254035       5.16519791      10.15728058       2.29335790       3.49905367      -0.47644086 
Hf       5.11988701       7.90785379       2.34007036       1.61547192      -0.03357294      -1.69500587 
Hf       4.87396846       7.80321545       7.90584659      -0.33817224       0.29824414      -0.33863442 
Hf       7.74722285       7.96501578      10.12009784       1.17107126       1.58049726      -1.29035133 
Hf       7.39613030       5.20483781       2.41078555      -3.35861953      -3.97774063      -1.09547857 
Hf       2.80240826       5.05175697       2.47467250      -1.23676095      -1.62773541       3.37984181 
Hf      10.12613840       7.32915687       2.30615412       1.95602712       0.07853968      -2.75307524 
Hf       9.66735630       5.04391150      10.09734526       3.67739838       2.12449908      -1.92593999 
Hf       7.82707922       2.26888659       5.37562505       2.69896010       2.50637170      -4.69447753 
Hf       0.00327843       7.83747101       7.84622368       1.97270893       0.49267628       1.15818941 
Hf       5.12403131       0.27718108      10.35286707       0.85616387      -3.29556533      -5.26001242 
Hf       2.56884967       8.14643124       0.25593261      -2.96105459      -1.85037662      -2.21297640 
O       1.16849848       9.10097736       1.47221285       1.17908159       2.71935153       1.33456090 
O       0.80819442       6.99646442       0.58995583      -0.46612167      -1.04276198       2.34692866 
O       1.30216180       1.66395970       6.39391932      -0.41943497      -3.98702935      -0.20876557 
O       0.87752870       1.04870403       3.53207917       1.00258759       0.89176362       0.50069615 
O       4.32901845       3.94675797       1.03939905      -2.05305464      -0.86944039       1.92723152 
O       1.36105772       1.17631998       8.99273801       1.76175533       0.58540966       0.33825968 
O       3.64398703       3.38677346       3.49184626       0.65037047       0.39722908      -0.23850132 
O       6.74251380       3.44312139       1.57017365       1.04511622      -0.82230927      -3.43076817 
O       3.70334943       0.78309333       4.09414436       0.49577988      -0.78609840      -0.63329028 
O       1.16334241       3.98822913       3.83605373      -0.59878238      -2.14162457       1.48271201 
O       1.07473745       1.30192275       1.05737308       2.27953297       0.28914601      -0.13131166 
O       1.03410891       6.12968692       3.22715052      -0.87566774       2.58864663      -0.01642668 
O       3.95608053       1.34311457       1.12270132      -4.79720124       0.59611207       0.36520625 
O       1.88711709       3.76611690       6.47243111      -0.35474133       2.92699772       0.96653697 
O       1.30552532       9.44373128       6.63187728      -1.29475700      -1.01761108      -0.92182375 
O       6.29631050       2.00591578       4.04233206      -1.22683472      -3.52711799       0.14338602 
O       6.62201383       9.36766807       9.18529547      -2.64603385      -0.01816288      -0.84964757 
O       9.38251751       1.10617791       6.68136503      -3.99801654      -2.04958490      -0.37391886 
O       3.30179755       4.56227226       9.14877147       4.75844885      -3.25592345       5.44076974 
O       4.07877349       9.71109141       8.57335340       1.07232768       0.87815695       1.91460290 
O       1.53184015       3.77509910       1.52675295       2.36686869       0.79519169      -4.01653503 
O       3.98185354       8.89750083       6.25549598       1.54655817       1.74266677      -1.98829003 
O       1.69556344       9.03990991       8.99963262      -1.86876702       0.75460635       2.91035318 
O       1.31738750       6.57307231       8.92315819      -2.25965607       2.70281367       1.53046797 
O       1.15654566       9.07560520       4.22296193       1.18996586      -1.15011100      -2.25272585 
O       3.37081952       5.99078318       4.73504860       1.11972175      -1.41445807      -2.39749735 
O       4.07410263       9.62544722       1.24016139      -1.85536158      -3.82751337       1.01791622 
O       3.68967649       8.63943521       3.74101770       3.26379914       2.66506003      -3.79761673 
O       0.86270636       3.85758888       9.10310943      -1.44764494      -1.73175537       1.95106547 
O       9.25648625       3.91865779       1.23046885      -0.53482694       0.24431326      -1.85252519 
O       6.51637795       0.98234790       6.65540906      -5.59316760       3.80600125      -7.78924680 
O       5.84972967       4.09991929       8.79580243       0.32965694      -0.95119932       0.80132777 
O       3.84420177       1.42624519       6.74722705      -0.54172228      -2.63253804      -1.48745770 
O       4.48961234       3.65192491       6.57142252      -2.22432921       0.09616874      -0.00983079 
O       8.69989112       3.69015260       8.85806732      -1.26069237       1.74410382       0.97421110 
O       8.27010980       5.81912284       6.22364252       1.14868900       1.76330148      -2.63949049 
O       9.70589127       3.61093142       5.97889284      -0.41884545      -0.49911317       1.34755991 
O       9.65459465       1.56324283       9.65840466      -1.40340297      -0.17488993      -0.52988273 
O       6.52087182       0.93503545       1.03032894       0.82510541       1.15252114       2.39492850 
O       8.98122415       1.35296745       1.66513045       0.11794626      -0.68252761      -0.44963649 
O       6.55154898       8.82701390       1.05313929      -0.96217480      -0.50781595       2.68208390 
O       9.23062521       8.63900411       6.70331422      -1.01554152       2.32976838      -5.07792120 
O       0.59080276       6.60698583       6.35290899      -0.14629805      -1.29708099      -2.11808560 
O       5.80362104       6.30252920       6.73430527       1.11348287      -1.14930235      -0.08648884 
O       9.02517538       6.57244810       8.98172056       0.22630951      -0.60012078      -2.40361433 
O       6.67713470       3.65550100       6.18460202       2.81063919      -0.11989317       1.91029028 
O       6.82677885       8.73994024       6.62025634      -2.12747103       0.95702192      -2.02393829 
O       6.55943139       6.60947145       9.32488528      -1.87842060      -2.04157384      -1.69688099 
O       4.08922315       7.24707340       9.91306321       1.38871516      -1.24147384      -1.55096649 
O       5.93278243       6.26240158       1.44987316       0.11784801       0.08275538       0.30275542 
O       8.77727663       6.49469679       0.81798461      -0.76164252      -0.52292951       3.00468435 
O       8.57707727       0.50930497       4.18131116      -0.13975799       0.46941179       0.32681703 
O       8.85324984       8.49801602       3.78694360       1.63923028      -0.59073936      -1.03311303 
O       9.03563541       9.16339348       1.07058373       3.53998675      -2.03987884      -1.93222939 
O       6.17293378       4.31462522       3.61497974      -0.94022858      -0.29044030       0.27101501 
O       6.24874664       6.47954393       4.22256672      -3.45040871       0.71527154      -3.99970563 
O       6.59642533       9.38994652       3.53038972      -6.03033110      -1.45031240       3.64059191 
O       8.90122951       9.24532489       8.95377413       3.74905192       0.47315628       1.83028240 
O       8.93230502       5.79237804       3.27994663       3.06900351       4.34110452       2.58535041 
O       8.76225198       3.44164545       3.63382382       1.11227777      -0.87239033       0.94868144 
O       3.45875831       6.80596975       1.81092158      -0.32298225       0.45147321       0.06369086 
O       4.18502080       2.02763074       9.35566040      -0.98649737      -1.36703785       0.89545874 
O       6.88808336       1.24526042       9.08314002      -0.74844572       2.82441373       0.18565062 
O       3.43767593       6.67096560       7.21492238      -1.04545728       0.34842297       0.83602462 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018944583228810527 -0.0019602002545960505 -0.01618410319647076 -0.0019602002545960505 -0.03325826929954413 0.006880531638575263 -0.01618410319647076 0.006880531638575263 -0.00956656368655957" pbc="T T T" energy=-931.100729 free_energy=-931.10079886 config_type=crystal 
Hf      10.13912801      10.03023389      10.33920344       3.25210642       3.23217193      -1.92568623 
Hf       5.02122947       2.71982732       2.03305098      -0.38703742       0.10240363       1.22105436 
Hf      10.12975102       2.53159209       7.89675303      -1.17207272       2.88609305      -0.55205716 
Hf       0.03826254      10.05162995       5.33232544       0.12053194       2.22286110      -1.48145614 
Hf       7.79559187       5.10161302       7.57715913      -1.88042704      -0.60642847       0.43949697 
Hf       8.06764922       8.18836062       5.46922710      -2.20502422      -2.31430332      -1.04226650 
Hf       7.68076405       2.59305547      10.39389091      -0.32720474       1.47892630       0.10467218 
Hf       7.72389861       9.90004201       2.32705721       0.67577224       1.65735079       0.09986775 
Hf       2.31726880       2.40335759       5.08228509       0.34112570      -0.52332926       0.41804296 
Hf       4.88579642       2.50764134       7.70026038       4.29352271       5.77643824      -0.54938659 
Hf       4.71416581       0.35872859       4.62661186       1.39361190      -0.24382528       3.44028833 
Hf       1.96275631       2.25054050      10.36810073       3.43665419      -2.52618728       5.16466558 
Hf       2.33171027       0.05757812       2.57993473      -1.01988407       1.96849060      -0.67256203 
Hf      10.27368064       2.56791472       2.94072610      -2.25913072      -2.78811293      -1.30139067 
Hf       2.88651663       0.13718247       7.70040460       1.20459282      -3.34453097      -1.17646580 
Hf       7.64408651       0.16486233       8.14695424      -1.90750480      -0.71530419      -3.12494336 
Hf       2.32781360       4.79249653       7.72863980       1.99539828       1.90985117       1.77801290 
Hf       4.73941175       5.26665474       4.51442624       3.44788418       0.19702264       2.75799967 
Hf      10.44381343       4.96638239       4.97553770      -0.99929561       3.00581311       1.01308442 
Hf       2.41190491       7.31155000       5.79880313       2.60877393       0.55867077      -3.46127234 
Hf       5.56728807       5.23324663      10.07219728      -3.40732740      -1.74288005       2.19202605 
Hf       5.07041695       8.03701821       2.84757054      -0.07344867       0.48577843      -1.63614228 
Hf       5.41545072       7.41945391       7.43361729      -5.55536891       4.45642349      -5.15280439 
Hf       7.90576160       7.72366448      10.26391567      -2.12663338      -1.75642565       0.10571955 
Hf       7.50729086       5.04302052       2.44274085       1.58696671       0.01856872      -0.62575599 
Hf       2.38677170       5.48505189       2.18776203       0.96949057      -4.27923010       0.37393413 
Hf       0.21880742       7.93151065       2.51696871      -2.74234044      -0.74722454       0.25967884 
Hf       9.99855093       4.96236798       0.16936018       0.95105342       0.99054355       1.70889740 
Hf       7.76527443       2.55139414       5.15425236      -0.61065446       1.27136901      -1.69169781 
Hf       0.02583759       7.26699403       8.12603052      -0.79753608       0.86988557      -1.70518465 
Hf       4.98290130      10.46541660       0.05152845       0.12307096      -1.72259617       0.94341635 
Hf       2.81439635       7.82551693       9.96073498       2.01274273      -0.88032678       1.30567454 
O       1.04062705       9.76264403       1.39953629      -1.35674287      -3.22343979      -0.22242693 
O       1.41507273       6.79715564       1.37374726      -1.75083098       3.60452698      -2.66242716 
O       2.86403356       0.47099365       5.68161142      -2.56253159       1.66813249       1.23559116 
O       0.86551727       1.05725512       4.08750941       2.54134956       0.51373052      -0.78899225 
O       4.17427024       3.57753262       0.60138283      -2.22153449       0.77933132      -1.20171518 
O       1.42179130       0.36295170       9.39952603       0.15104589       2.52712527      -0.89104594 
O       3.86093544       4.38970315       3.02473651       0.13752292       0.05310973       0.46820664 
O       6.41504190       3.90030604       1.00151518       0.45468250      -2.78387560       0.84075444 
O       3.74068153       1.84322331       3.56480070      -0.81477549      -1.39528076       0.32071952 
O       1.21850326       3.56176079       3.88775131      -0.46886634       1.75502980       0.34819943 
O       0.87129053       1.56941360       1.65890966       2.04273019       0.88139920      -2.88164540 
O       3.83533386       7.35170253       4.13118120      -1.22486865      -5.28218400      -0.06714423 
O       3.61567334       1.29183961       1.04261448      -0.96524157      -1.64157044       0.10119462 
O       9.09873278       1.10104728       4.51238930      -1.66078216       2.33192715      -0.71906266 
O       1.01471306       8.58915653       6.51817363      -1.05610011       1.07150370       1.64100893 
O       6.26603701       1.62758526       4.42032013      -1.22461665      -2.97711482      -0.16393783 
O       6.79556990       9.88853997       9.80573160       2.31095945      -1.64408196      -0.97199449 
O      10.42142465       1.09513356       6.76106389       2.45614202      -1.26125881      -0.34745307 
O       4.08283238       4.59313049       8.86407534      -2.05071035      -1.49391007      -3.36292416 
O       0.97365803       8.50869751       9.76901868       0.67119128      -2.04397232      -1.69787920 
O       1.01666783       4.01907261       1.24579482       2.35618304       1.21150707       0.83285903 
O       3.70151669       8.66964977       6.03773235       2.02221430       1.56258119       3.27573287 
O       9.24550930       8.65407899       8.91643052      -2.34760607       2.63536893       1.05100160 
O       0.85814593       5.77787011       9.00768804       1.47470502      -0.59045006       1.49665342 
O       1.07020548       9.00544848       3.78913281       2.07286809      -0.14074553       1.39451355 
O       3.64918056       5.54877022       6.16437023      -1.12807188       3.44652796      -0.15025437 
O       3.89379565       9.04475063       1.24421442      -1.97367393       0.86074858      -1.49483063 
O       3.56805872       9.54503405       3.66781814       2.39166641       0.58763298      -0.98141943 
O       1.26152688       3.42602129       9.16674152      -1.56860492       0.46258309      -3.02032570 
O       8.86595894       3.76107753       1.31268368      -0.03822605      -3.79837373      -0.50383666 
O       4.85122227       0.90140817       6.75096830       0.31696971      -1.84537135      -0.43038330 
O       6.63507010       4.06873787       8.94781017       1.38544159      -1.26165766       0.51527213 
O       3.77294003       3.44996451       5.87683860       1.30908730      -2.84923235       0.61291510 
O       1.37297987       3.42508488       6.63784301      -1.53607760      -1.37493702      -0.74905817 
O       9.11348405       3.95845384       9.20021577      -1.27121587      -4.54212148       0.17832545 
O       9.39245454       4.28622477       6.85824915       1.79280725      -0.85128127      -2.84595075 
O       6.46436889       3.90003099       6.53175374      -0.20154581       1.32022110      -1.24695322 
O       6.24512858       1.64976722       9.03598916      -0.24370965      -0.94580106       0.41752475 
O       6.17477280       1.11173630       1.30068292       0.69383754       0.16137019       0.75159425 
O       8.93202934       1.16734040       9.30640772       2.24573242       0.13382759       0.84657817 
O       6.14163210       8.68356039       1.20807181       3.97718068       0.38076292       0.70285888 
O       8.93990003       9.66217281       6.48062457      -1.49994538      -0.47476736      -0.27254992 
O       1.09048531       6.07684130       6.55864182      -2.39034030      -1.61027634       0.95918647 
O       8.73998996       7.03809248       6.89146772       0.55949485      -1.45467300       1.71467508 
O       8.90855313       6.11457645       9.44116905      -0.38045571       4.58054826      -1.33516539 
O       9.08293886       6.53707737       4.41421562       0.95628767       0.62706089       0.85340996 
O       6.48906996       9.08127380       7.19806824       1.05133529      -0.26828577      -0.42336307 
O       6.47670686       6.59584540       8.65005945       2.11778586      -0.93628781       3.74680292 
O       3.16669544       6.85284670       8.20485619      -0.29557781       1.57137290       0.56393171 
O       7.05113493       5.94966503       0.65211355       0.26831846       4.55491536      -1.08796576 
O       9.07554742       6.01339655       1.80098340       4.87812869       3.75990758      -1.12312319 
O       8.83327185       0.98047257       1.60134095      -0.97319701      -0.98537046      -0.47638250 
O       9.11929394       9.10022400       3.65693173      -1.43691516      -0.36628590       0.09985599 
O       9.22098888       8.81449454       0.95762192      -3.40127030      -2.99676388       3.76833935 
O       6.66260374       3.77054714       3.61629116      -2.87727864      -0.80805264       1.20679258 
O       6.11456671       6.24925750       3.07349561      -2.56377525       2.25585794       1.15698472 
O       6.38971892       9.16877363       3.97079642      -0.13146647       0.81769352      -0.51886879 
O       7.87300459       2.14228399       7.03472613       1.92016625      -3.44349730       2.52214069 
O       1.34937891       6.15188416       3.96712341       0.56614568       0.50875230      -1.38825763 
O       9.01410434       4.05725331       3.90137956       1.18496203      -1.90879426       0.69501147 
O       3.95659976       6.42437680       0.63913954      -1.12912971       0.08027131       0.40131236 
O       4.19888956       9.19324560       8.82617440      -1.99340758       1.27706522       1.16978011 
O       3.51112144       1.66603023       8.80698766      -1.47829800      -0.15636001       0.83520677 
O       6.18504108       6.62602416       5.82938558       0.92083186       0.32956417       0.05196804 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012891586153395954 0.011396595782856154 0.01008359101004303 0.011396595782856154 -0.01582984515610777 0.008925978917891847 0.01008359101004303 0.008925978917891847 -0.013553659264580378" pbc="T T T" energy=-933.65106886 free_energy=-933.65107356 config_type=crystal 
Hf       0.06206676       0.02385603       0.32160330      -2.61544954       0.09314936      -0.34460098 
Hf       4.97063628       2.44457327       2.32074620      -0.32751568      -1.82231867       2.00092372 
Hf      10.27056328       2.64604721       7.99309293       1.56866318       0.12332265       0.47610223 
Hf      10.34115853       0.30650329       5.07124472      -1.36870541      -2.24686391       0.01072259 
Hf       7.65675396       4.87772070       7.46961202      -3.53469855      -2.13752185       4.17412846 
Hf       7.67192785       7.85636972       4.81832575       6.74459277      -1.67277893       2.12495645 
Hf       7.82800695       2.34539671      10.24496274      -2.56713894      -0.94105714      -0.50056294 
Hf       7.62038601      10.20640694       2.53657389       0.59000926       0.16720226      -1.39853159 
Hf       2.55901091       2.79777058       5.40576718       0.27055004       1.78533341      -1.65744519 
Hf       4.74908681       2.46111898       7.96335658       2.28771295       2.93356657      -0.07190545 
Hf       5.01291135      10.42461611       5.06523304       1.78879163      -0.40664025       1.27130721 
Hf       2.26511667       2.55016760      10.43069017      -1.40804704      -2.54639481      -0.14442322 
Hf       2.69302014      10.08770924       2.75218138      -2.31179776       1.89940497      -2.62947250 
Hf      10.27589549       2.80457424       2.67734543       1.46923215      -0.83732867      -1.57306965 
Hf       2.65180163       0.05896061       7.58340861      -1.82108715      -2.34692976       0.32756564 
Hf       7.71495681      10.36520065       7.50245318      -2.50353746       4.95130610       2.54865076 
Hf       2.49224326       5.57143174       7.72596087       1.22599849      -6.73655119       2.24661489 
Hf       5.45651873       5.08228342       4.84113537      -4.03486054      -1.41259508       3.33357433 
Hf      10.02317559       4.99682773       5.24851619       0.84204330       0.69528423      -0.16383572 
Hf       2.29319267       7.50547247       5.07648619       0.78428664       2.11118593      -2.96383455 
Hf       5.25961706       4.80651464      10.46145222      -1.16849509       1.82753333      -6.31271977 
Hf       4.87680962       7.62210989       2.38351064       2.95412653      -0.37570694       1.94754876 
Hf       5.12864691       7.66157364       7.81754922       1.14890184      -4.06234985       2.68963658 
Hf       7.79124525       7.73600591      10.34745908       0.86828046       1.04598831      -1.30546583 
Hf       7.64176960       5.06325105       2.22699542       2.11433281       0.28056454       0.86676390 
Hf       2.59436270       5.28545486       2.25576271      -0.08811939      -2.63210894       2.26050883 
Hf       0.19676215       7.40601112       2.27717509      -2.21329412       2.27185426       2.45028352 
Hf      10.35500468       5.31183785      10.38381562       0.87274012      -5.20966745      -4.31671174 
Hf       7.69752902       2.48659287       4.93883693      -2.05611223      -1.82838592      -0.24523572 
Hf      10.45561166       8.00741038       7.82882844      -2.40440659       1.92571889       1.90067117 
Hf       5.11059773      10.09398059      10.39433331       1.97363539       2.29754400      -0.03404680 
Hf       2.49493631       7.78296115      10.14490106       0.18451628       0.29654753      -0.74610214 
O       0.84925939       8.65900669       0.80134460       0.38766712       2.34113110      -0.62185571 
O       1.63805125       6.54971782       0.94102965      -1.45195813      -2.98755712       2.02723715 
O       1.79090623       1.62574604       6.74581945      -2.76549506       2.39646634       0.03978946 
O       1.34130193       0.62553871       3.80798045      -1.38871934       2.20870690       2.60977468 
O       3.76269906       3.53649141       0.76256974       1.39882252      -0.14394740       2.41589544 
O       0.95523500       1.03652472       9.42418984       1.81982260       0.04956544      -1.13225038 
O       4.23846865       3.64375782       3.71266937      -3.05464144      -0.45854043      -1.85518218 
O       6.20779889       3.80054400       1.27288302       1.80840958      -1.86192894       2.69588002 
O       3.92155232       0.81322803       3.69339262      -0.26796939       2.28290631       0.83279608 
O       1.06093713       3.71796150       4.26624511      -1.53868829      -2.06816306      -1.81484967 
O       1.51282076       1.35011238       1.54700892      -2.04370562       0.22519351      -1.27403112 
O       1.27156627       6.16722824       3.49137361      -0.09607445       0.18751259       1.08713551 
O       3.75407083       0.78097005       1.22234656       3.15645775      -0.40886283      -0.83044246 
O       1.26839972       4.40391363       6.43226434      -0.32984882       1.35988107       1.76614650 
O       0.71614482       9.98018997       6.77224995      -1.08553395      -1.83914274      -0.76272440 
O       6.30174811       1.19116796       3.54991525      -0.01952764       0.12469159      -2.37552716 
O       6.37438322       8.55575972       9.30592921      -1.68468120       3.38279173       0.08827716 
O       9.01214297       1.15493240       6.57133251       1.64217796      -1.23808182      -0.08162060 
O       3.91570119       4.00116494       8.81191013      -1.29643962       2.30172282       0.61780811 
O       1.62710078       8.73695853       8.61712399       0.41396853       0.07678325       0.08671328 
O       1.23047199       3.94722152       1.65387049      -0.38254474       0.31248905      -1.36654759 
O       3.23993707       9.07123451       6.05710748      -0.70753618       1.71574205       0.84415423 
O       9.05182704       9.43868835       9.44957602       0.65854654      -0.80122267      -1.87013545 
O       1.14679315       6.18713736       9.07478266       2.11145738       2.98637379      -2.75536455 
O       1.25006880       8.69587806       3.46646311       0.29950918      -1.15729177       0.50987793 
O       3.85504957       6.27805619       4.06880883      -0.62832468      -0.08263714      -2.33959488 
O       3.55089311       8.48386959       1.33785039      -1.18741598       1.68372141      -2.70558178 
O       3.72489431       8.79209750       3.74923587       2.98047706      -1.70133882       0.78028743 
O       1.03764178       3.75031912       9.34399980       0.62279236      -1.16870301       0.35085837 
O       8.75685865       3.80120275       0.63490868       0.62425826       0.78337543       3.37672681 
O       6.88085153       0.70528498       5.65465457      -1.33967225      -2.07441182       1.78652495 
O       6.53722588       3.68401553       9.13210269      -0.26854840      -0.27665987       0.69164902 
O       4.13735312       1.44638530       6.40538128       0.06162745      -2.98713201      -2.04619833 
O       3.79580135       4.03599426       6.14259635       0.39979282      -0.21299375       0.86690136 
O       9.15275700       4.27551104       8.73680802       0.69376234      -0.42619813      -0.11545232 
O       8.24135434       6.06933138       6.16284928       1.64684706       0.92417965      -2.30643700 
O       9.27692287       3.36248937       6.47620344       0.03252801       4.05003473      -3.91229682 
O       5.92489698       1.22629964       8.83506063       2.33817314      -2.96380451       1.02056376 
O       6.86901374       0.73853840       0.72839456      -0.93396898       1.24412795       0.36541681 
O       9.29250568       1.22331332       1.38989461      -0.07385736       0.68079019       0.74935159 
O       6.16541266       8.98515201       1.35742271      -1.70487072      -0.35860660       0.31631352 
O       8.29250663       8.91456209       6.70806996       2.65146909      -5.69186235      -2.90696915 
O       0.14888452       7.21364383       6.07051678       2.58801415      -1.53947423      -0.68023557 
O       5.60984615       5.63305620       6.84971135       1.32113312       1.22979764      -1.53779061 
O       9.39682428       6.65598450       9.42969935      -2.13663355       3.72030614      -0.79251352 
O       6.88633101       3.14242066       6.42552202      -3.48421008       3.73683526       4.88571389 
O       5.62911097       9.19852402       6.94120666       2.16720967       2.32146163      -3.62918416 
O       6.76381545       6.42650186       8.86721489       0.28710504      -1.57965020      -0.67819817 
O       3.81597516       6.53122666       9.24478556      -0.08529392       1.49680449      -1.49875416 
O       6.60256920       6.45226431       1.00797732       0.19083887      -1.69212740       1.91525286 
O       9.49064791       5.80539119       1.47943128      -1.74184993       2.57811048       3.16132488 
O       9.08213454       1.80113401       3.87605837       4.41298772      -3.93327082      -0.71780722 
O       9.22604520       9.40526810       3.84820886      -1.28953015       1.26838690       2.19723690 
O       8.69871911       8.94534046       1.43105179       0.78368622      -1.75796050      -0.32087986 
O       6.47512176       3.67890499       3.86178509       1.35130620       1.61352246      -2.00225406 
O       6.40487294       6.57666190       4.01704970      -0.61806453      -2.29422601      -1.73003335 
O       6.54613921       8.80848328       3.71512327      -2.83254165       3.79320252      -0.95105233 
O       9.19646804       1.54716005       9.17098232      -2.27132392      -0.38193036      -0.24051196 
O       8.96655189       6.63465626       3.67427014      -0.03149490       1.41009177       0.47173438 
O       8.83430779       4.16954527       3.72012246       1.83076757      -0.30570111      -0.42514074 
O       4.04823772       5.92973509       1.13642921       1.34077654       2.41378299       2.42843635 
O       4.02363001       9.53256451       8.79065746      -0.34711376      -2.16327109       1.56982442 
O       3.38240717       1.49179207       9.08504550      -0.09710703      -0.15654458      -0.89797635 
O       3.35933349       6.56928699       6.43728445      -0.05976293       2.32835987       0.45004566 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01268162558123879 0.011208065120207252 0.008979679882494014 0.011208065120207252 -0.014319591861566628 0.008921193228286559 0.008979679882494014 0.008921193228286559 -0.011491693406939521" pbc="T T T" energy=-934.15699181 free_energy=-934.15699513 config_type=crystal 
Hf       0.06118582       0.02631182       0.31802417      -2.61329550       0.45666298      -0.45493419 
Hf       4.96453940       2.44208713       2.32093386      -0.25963858      -1.91851316       1.93269467 
Hf      10.27337241       2.64621069       7.98773853       1.62825030       0.32025812       0.23737024 
Hf      10.33901913       0.29759792       5.06634758      -1.31177246      -2.05130061      -0.08462466 
Hf       7.65529759       4.88123379       7.47901151      -3.07711905      -1.80446375       3.57793170 
Hf       7.67029408       7.85936870       4.81939843       6.81564613      -1.82324171       2.34836961 
Hf       7.82783268       2.34321828      10.24522293      -1.99040284      -1.12666505      -0.85670847 
Hf       7.61987201      10.21143773       2.53921609       0.60262346       0.25572495      -1.39880233 
Hf       2.55442661       2.79282153       5.41132337       0.58608531       2.28371322      -1.65126670 
Hf       4.75021967       2.46762948       7.96643175       2.42278386       2.92883896      -0.21456965 
Hf       5.01010788      10.42587614       5.06974763       1.92666709      -0.53858582       1.35572545 
Hf       2.26810770       2.54514843      10.42969285      -1.48592790      -2.74231508      -0.11578622 
Hf       2.70015505      10.09066165       2.75544265      -2.38843998       1.66190692      -2.70161282 
Hf      10.27948655       2.80441557       2.67638914       1.61847909      -0.69986096      -1.74279429 
Hf       2.65515039       0.06104495       7.58057017      -1.82873937      -2.29817683       0.24993654 
Hf       7.71211722      10.36446236       7.49358967      -2.65355344       5.59068088       2.97267898 
Hf       2.49432498       5.56919061       7.72339487       1.38136584      -6.56396095       2.02631481 
Hf       5.45538859       5.07891655       4.84470664      -4.03389386      -1.18337804       3.09709594 
Hf      10.02420222       4.99032215       5.24901333       0.82175008       0.72461951      -0.08862012 
Hf       2.28881340       7.50095515       5.07617189       0.89004566       2.08337791      -2.98171938 
Hf       5.25734286       4.80719777       0.00232810      -1.35331295       1.79117702      -6.32245997 
Hf       4.87326953       7.61855254       2.38112581       3.15429925      -0.40462043       2.30269044 
Hf       5.13630900       7.66391692       7.81585119       1.29596710      -3.25116298       2.30658343 
Hf       7.78545514       7.73560641      10.34392422       0.88866215       1.24908501      -1.21505562 
Hf       7.63913610       5.06157008       2.22382688       2.22708414       0.09218830       1.04603555 
Hf       2.59940846       5.28697832       2.25484828      -0.32338624      -2.85718318       2.65362877 
Hf       0.19693453       7.40330843       2.28248564      -2.06227880       2.23290366       2.46778359 
Hf      10.35712503       5.30939305      10.38363288       0.65971215      -5.04255059      -4.23071758 
Hf       7.69248577       2.48508856       4.93411500      -1.46867868      -2.01459694      -0.42079746 
Hf      10.45271922       8.00892275       7.82950937      -2.52117995       1.86445045       1.73334718 
Hf       5.10625677      10.10039197      10.39818854       2.02547249       2.32067835      -0.22556517 
Hf       2.49354190       7.78486422      10.13818343       0.20507355       0.08954716      -0.49965422 
O       0.84886544       8.68252100       0.81693034       0.59880454       1.92578083      -0.59354586 
O       1.63145420       6.54574589       0.94265746      -1.41463890      -2.60235524       1.76774996 
O       1.79798013       1.63441833       6.74485227      -2.96763089       2.07774111       0.22495762 
O       1.33189261       0.60799202       3.77622788      -1.42882973       2.25324341       2.88220414 
O       3.77191790       3.51555105       0.76289513       1.51126872       0.07062179       2.33203701 
O       0.95187158       1.06628055       9.41589108       1.96792577      -0.24048599      -0.91285115 
O       4.23121128       3.63477865       3.71168188      -2.95165041      -0.40253474      -1.68681581 
O       6.20414765       3.79617112       1.26991449       1.91396324      -1.87220458       2.69674672 
O       3.93541868       0.80923371       3.68530088      -0.37601691       2.37557035       0.86472789 
O       1.06489535       3.71625415       4.26571039      -1.48321804      -2.03153167      -1.67870440 
O       1.51176378       1.33770878       1.54468260      -2.02782908       0.34815501      -1.49066070 
O       1.30249829       6.16825099       3.49258800      -0.50241964       0.28625931       1.11266360 
O       3.75128975       0.78749301       1.23023922       3.17331085      -0.42867173      -0.94848674 
O       1.28194549       4.37522923       6.44590086      -0.39129779       1.44117445       1.73724849 
O       0.70200938       9.99099234       6.77856965      -0.87561337      -1.94931190      -0.68736003 
O       6.30780919       1.17490474       3.53205259       0.00441479       0.39569156      -2.23969128 
O       6.36718991       8.57164500       9.31917481      -1.73578186       3.09350928      -0.12004018 
O       9.02371828       1.15673196       6.55576592       1.50135099      -1.06648971      -0.15493017 
O       3.93552847       4.02544140       8.81324750      -1.24595218       2.02608032       0.70301246 
O       1.61279118       8.74292552       8.62792783       0.52947132       0.16135070       0.12122811 
O       1.24335379       3.95317909       1.66847074      -0.45466875       0.12340677      -1.57856721 
O       3.24324198       9.07552932       6.04818924      -0.74084871       1.79775273       1.01908893 
O       9.01579160       9.46133208       9.42486983       0.76424439      -0.97727541      -1.70022555 
O       1.14075436       6.19829757       9.07360783       2.20503253       2.88692519      -2.80223235 
O       1.25444043       8.67341582       3.48603030       0.22215666      -1.03594365       0.44101012 
O       3.85430877       6.27104666       4.06484925      -0.55919845      -0.10581339      -2.25783143 
O       3.56873620       8.48602102       1.33780224      -1.56262618       1.77480871      -2.99825382 
O       3.72110994       8.78836850       3.75954392       3.02940701      -1.74097022       0.58234052 
O       1.04169199       3.74060209       9.35700385       0.57284730      -0.84390145       0.27551166 
O       8.75847536       3.80088771       0.63590779       0.52190587       0.65896827       3.51803942 
O       6.87334821       0.71139452       5.65016384      -1.25416565      -1.90460298       1.71717599 
O       6.56636358       3.66648653       9.12493784      -0.58581696       0.03067553       0.78686283 
O       4.12392153       1.44749336       6.41742746       0.21246997      -3.03303019      -2.18685229 
O       3.80543475       4.03937672       6.16736639       0.14890536      -0.47609276       0.60679425 
O       9.14366480       4.26016613       8.77529674       0.67658792      -0.30420537      -0.61238053 
O       8.24833163       6.10002006       6.16079089       1.31050093       0.29102046      -1.62872899 
O       9.26616864       3.38794034       6.46895078       0.13045346       3.90064367      -3.49894087 
O       5.91907495       1.22365891       8.83966303       2.33490316      -2.93380501       1.04915131 
O       6.87535490       0.74686364       0.73603415      -1.03027593       1.26130357       0.27512902 
O       9.29495812       1.22046536       1.39231429      -0.04185046       0.69279293       0.61411040 
O       6.16680038       8.99956072       1.34115844      -1.62047829      -0.63179042       0.66126155 
O       8.27990742       8.92811540       6.70275857       2.99157352      -6.35713718      -3.27308601 
O       0.15769612       7.20364411       6.07288246       2.64704347      -1.46493893      -0.57373778 
O       5.60094109       5.63021474       6.83693410       1.59681099       1.25225387      -1.29428975 
O       9.38477790       6.65861831       9.42224135      -1.92202441       3.53911682      -0.63190492 
O       6.88781731       3.12764908       6.43408808      -3.40151016       3.72829752       4.59554817 
O       5.65315884       9.22254363       6.91818164       1.78343408       1.41435409      -2.98916787 
O       6.77302382       6.43909898       8.85323790       0.18693144      -1.52357575      -0.66028403 
O       3.82780657       6.51427707       9.25028021      -0.21357677       1.78463031      -1.37889976 
O       6.60604963       6.43637515       1.01470154       0.13310995      -1.47218636       1.71270455 
O       9.48566317       5.79215008       1.48674265      -1.51868921       2.67835459       2.99936446 
O       9.11257789       1.80751860       3.86429331       3.43042772      -3.74982061       0.05339874 
O       9.22584582       9.43028295       3.86543842      -1.27537952       1.05763366       2.06615694 
O       8.70963861       8.96589179       1.43337738       0.81088410      -1.98713822      -0.50023234 
O       6.47830913       3.68528068       3.84900115       1.44619675       1.55583243      -1.90882127 
O       6.39081725       6.59610454       4.01304167      -0.73544010      -2.52060556      -1.63103144 
O       6.55837211       8.82753627       3.73166898      -3.07571823       3.92954168      -1.30157939 
O       9.22300865       1.54665390       9.14943074      -3.06652816      -0.33842438       0.35932745 
O       8.95859172       6.63506759       3.68434637       0.12425149       1.46342159       0.25862132 
O       8.86094835       4.17458192       3.73673786       1.43949838      -0.30833982      -0.66931456 
O       4.03900601       5.92959808       1.15684028       1.92595284       2.38389282       1.85389141 
O       4.03403718       9.52018750       8.77642887      -0.46092304      -2.17310540       1.61064528 
O       3.39626882       1.48236548       9.06644476      -0.38315636      -0.03082676      -0.53756961 
O       3.37789467       6.58088522       6.44450739      -0.27548591       2.19917972       0.63165662 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014287926657280556 -0.005042409454187437 -0.003348502911820794 -0.005042409454187437 -0.025189736547178057 -0.010533544879448537 -0.003348502911820794 -0.010533544879448537 -0.02268835069622307" pbc="T T T" energy=-932.13215738 free_energy=-932.13221033 config_type=crystal 
Hf       0.01509550       0.09623336       0.24074468      -1.35787641      -0.13559982      -0.29719215 
Hf       4.85257597       2.36676084       2.34356063       3.65683431      -1.44198516       1.90321552 
Hf      10.34762811       2.65555491       7.87686945      -0.14698176      -2.05990945       1.45371520 
Hf      10.30524261       0.11923880       4.98048581       2.07324286      -1.43576600       2.68577828 
Hf       7.61004812       4.94307459       7.67729408      -0.31544270      -0.16139549      -1.51395196 
Hf       7.69186251       7.90083767       4.85623485      -0.48295076      -0.33474851      -1.96807625 
Hf       7.82472673       2.28477104      10.24356331       0.84830053      -0.18733950       1.15218386 
Hf       7.62203851      10.30859379       2.56851412       1.19839854      -1.79960274      -3.09123323 
Hf       2.48314792       2.73631891       5.49608996       1.25941838       1.98520174      -0.59596836 
Hf       4.80681774       2.62000133       8.01653115       3.95855743       0.09576723      -0.96387638 
Hf       4.97514700      10.43466555       5.16782158       0.98609363      -2.82208483      -1.48902132 
Hf       2.31382469       2.41064845      10.41712744      -0.32051457      -1.35143327       1.14273770 
Hf       2.81591122      10.15689302       2.79376506      -2.19252393      -0.77638548      -2.11806426 
Hf      10.37262443       2.80486896       2.62635348      -0.82396023      -1.35775249      -1.49817836 
Hf       2.69686982       0.07698884       7.52147905      -3.70646048      -2.35168857       1.32422995 
Hf       7.63814757      10.39777146       7.34557395       0.95745426       0.99322164      -0.33728782 
Hf       2.56233320       5.47241343       7.68365356       3.37069835       0.35188725       1.58860756 
Hf       5.38956425       5.00931537       4.92499789      -2.19567981       0.63762821      -2.22200964 
Hf      10.07107594       4.89721484       5.25690077       2.97817987       5.55701401      -2.00261925 
Hf       2.22362101       7.42769887       5.04966362       4.88993137       0.37044667       1.72028547 
Hf       5.19802735       4.83260343       0.09217520       1.37478275      -0.10419456      -0.66598096 
Hf       4.84171729       7.55287671       2.37267498       4.52894513       5.65493946       3.65352576 
Hf       5.29996688       7.70059750       7.79700910      -0.43875887       0.46072579       1.23245068 
Hf       7.67180038       7.75575123      10.26423081      -1.77545411       3.84542626       0.09580279 
Hf       7.61769326       5.01468590       2.18514307       3.75973235      -1.55935130       2.42789449 
Hf       2.68622988       5.27719452       2.28474205      -0.08270237      -2.31570227       2.41351997 
Hf       0.18087969       7.37278010       2.41073657      -2.10608369       2.38975850      -0.05932713 
Hf      10.39141544       5.22218888      10.34929495      -1.84383189      -0.80048374       0.19353454 
Hf       7.59435123       2.43209317       4.84719634       1.61158206      -1.16770977       1.36948225 
Hf      10.36593694       8.05639502       7.84382912      -1.52489245       1.50524036      -2.00809058 
Hf       5.04365738      10.24970843      10.46215230       3.01935434      -0.75468606      -2.31438860 
Hf       2.47221493       7.81748192      10.01111225       1.48648176       0.60916751       0.93624462 
O       1.02595114       9.07947738       1.11584701       1.00799938      -1.58309241       0.25277995 
O       1.39339807       6.39683542       0.99948903       1.46408158       0.91552134      -0.75834319 
O       1.51970040       1.78827639       6.88046376      -0.03687466      -1.72482607      -1.51749913 
O       1.11600002       0.46701388       3.50090151       3.01638812       0.44261619       0.76391058 
O       4.05247705       3.27688956       0.85897851      -2.48438786       3.18019540      -2.76416345 
O       1.12437057       1.44124001       9.22307553      -1.50051881      -2.60339954      -0.45764708 
O       3.84052081       3.48201473       3.63079040      -0.33128978       1.19657117       0.85698401 
O       6.32946323       3.58919008       1.35651256      -0.15756652       1.19132676      -1.70181694 
O       4.06021754       0.97143752       3.63879903      -2.18454595      -0.77767966       1.63897092 
O       1.06921841       3.48395935       4.21470315       1.00459149      -0.26920197       1.99520399 
O       1.34843067       1.19619508       1.23377125       1.52301291       1.41849026      -0.06874426 
O       1.61615952       6.18927591       3.62225103      -3.66199758      -2.26023742      -1.12482631 
O       3.96537211       0.86192653       1.25590915      -1.68780819       0.24573455       0.54021175 
O       1.44317710       4.05046315       6.85310512      -2.02867339       2.06879892      -1.30783145 
O       0.45345753       9.90113175       6.89201217       0.89299993      -2.02267747      -0.52990499 
O       6.40128858       1.17895851       3.12211016       0.06273015       4.90852687       2.55647278 
O       6.15862146       8.91928455       9.43482318       2.15344050      -3.70913996      -1.48549328 
O       9.24464626       1.23258072       6.27850330      -1.98893795       1.57242869       2.25550227 
O       4.21710850       4.43585365       8.91961915      -1.28390020      -3.60121572      -0.96763560 
O       1.40865538       8.96179260       8.86777137      -0.57328122       1.50961016       0.21351937 
O       1.38194773       3.94525398       1.66563660      -0.52119852      -1.34141277      -1.16352260 
O       3.21869320       9.40430908       6.04611651      -0.13626767      -0.22523563      -1.14439126 
O       8.46438927       9.67793993       8.87696771       2.58167509      -3.47038634       2.35758764 
O       1.19916047       6.58704479       8.81432238      -0.19778137      -2.16963429      -0.09877582 
O       1.24389542       8.35543424       3.81269913      -2.23378899       4.96707021      -1.44188416 
O       3.83895255       6.08601827       3.84507297       0.23595135      -0.66044707       1.31577919 
O       3.64302550       8.73014775       0.98356774      -0.37796863      -0.05972142       0.90439496 
O       3.92349035       8.61212826       3.85128676      -1.22297858       1.71861512      -1.37053550 
O       1.11597040       3.72836647       9.57587585       0.23006999       2.60576678      -0.89266238 
O       8.81401655       3.76937524       1.08930483       1.04259598      -1.35635497       0.15721638 
O       6.70552385       0.88986751       5.63927867       0.33009584       2.68402991      -0.36248257 
O       6.84161825       3.49590359       9.04769456      -3.83085372       2.10157885       0.86705363 
O       3.97987868       1.23218604       6.41711117       0.63957303       2.67875557      -0.04505726 
O       3.91570224       3.95079028       6.58543205      -1.20281259      -0.70335723      -2.28629181 
O       9.11152854       4.04186715       9.20614906       1.29735660       1.95120168      -2.87425040 
O       8.40386836       6.43553011       6.20778926       0.08750315      -3.96397082       0.88878265 
O       8.98928500       3.98139240       6.34898782      -0.96104105      -3.72634389       3.29083320 
O       6.01675359       0.96785797       8.96930419       0.34491738       1.35585782      -1.77822655 
O       6.84092340       1.01763930       0.86659121      -1.08778971      -1.26379127      -0.80258712 
O       9.34936373       1.24191333       1.42156230      -0.30669158       0.31731041      -0.41873797 
O       6.12130799       9.08167873       1.29539645       0.68985949      -1.34050866       2.39189009 
O       8.40712785       8.66394150       6.38138699       2.52795589       3.43620703       4.40659956 
O       0.64485691       6.89443195       6.15398525       0.39821788      -0.78577818       1.17541754 
O       5.74697346       5.75573650       6.61327382       1.49368339       0.96698097       0.68741209 
O       9.15119272       6.94124768       9.28867526       2.83713025      -0.72897688       0.40643263 
O       6.66187445       3.16258170       6.76704134      -0.59606835       0.92431020      -2.72085516 
O       6.09751717       9.43576075       6.48685259      -2.28221845      -4.66044704       2.78837901 
O       6.88370787       6.58794907       8.58000896      -1.12610598       0.37358190       2.08822218 
O       3.97740960       6.55534968       9.28047782      -0.74988484       1.90427406       0.42179187 
O       6.61867553       6.18964820       1.09932265      -0.08546160       2.79929048      -3.20250082 
O       9.45047392       5.88396891       1.71541520       1.22038399       1.15272911      -2.69118328 
O       9.57040841       1.60296918       3.98225231      -3.47152322       3.23260008      -0.84747772 
O       8.88962878       9.73568174       4.17441132      -1.89107218      -2.83247993      -2.24381289 
O       9.00383218       9.04775537       1.33936118      -0.92773975      -1.55705638      -1.00864271 
O       6.69874175       3.91739965       3.58260234      -1.25678221      -0.56181252       4.58499564 
O       6.08370095       6.69552946       3.82265123       1.97578774      -0.94246922       0.64209726 
O       6.47650350       9.45926071       3.93526169      -0.73770309      -2.65254856       0.32359940 
O       9.16460495       1.46824668       8.94292351      -0.90553234       0.76406528       0.57347233 
O       8.91888871       6.82823177       3.79557151       2.05738140       0.41033076      -1.07986267 
O       9.25967195       4.13932726       3.72960588      -1.94874376      -0.32487669      -1.63610329 
O       4.29086517       6.11915939       1.40563662      -2.95213138      -4.41531350      -3.25517682 
O       4.05587951       9.09932433       8.65909000      -2.99062223       1.46357096       0.36069085 
O       3.52864008       1.36636262       8.85554288       0.04568638       1.53623807       2.49404999 
O       3.58666815       6.94653762       6.73589477      -1.98011040      -1.13304481      -0.32805180 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03080457388983516 -0.012090587122865102 0.0037991284112988103 -0.012090587122865102 -0.02593990016484455 0.003110191002232855 0.0037991284112988103 0.003110191002232855 -0.03651828294110632" pbc="T T T" energy=-927.291146 free_energy=-927.29117988 config_type=crystal 
Hf      10.38102115      10.45831487      10.33068322      -2.04329149       3.35514394      -1.52782812 
Hf       5.20429597       3.03725775       2.41504886      -2.62924187      -5.64642791      -1.13955089 
Hf       9.85105778       2.54894641       7.62564171       2.46001160      -5.61466689      -1.64058229 
Hf       0.21475533      10.44377334       4.71224506      -2.16805774       3.47176795       2.32518616 
Hf       7.35202112       4.92944812       7.39222504       4.09133402       2.77503355       2.39590829 
Hf       8.28592842       7.75809817       4.87709430      -4.83408300      -2.17658683       3.62118823 
Hf       7.55401721       2.40554199      10.34480160       1.96633714       0.07908679       1.11444886 
Hf       7.55224298       0.03427283       2.45194022      -0.42406611       0.55121298       3.43962322 
Hf       2.35183918       2.70673055       4.84329988      -1.38316762       1.16926757       1.03419054 
Hf       5.29829867       2.22268512       8.12732498      -1.29205172       3.37582638      -3.37180387 
Hf       5.15198454      10.35673527       5.28610617       0.92375642      -6.87424046      -7.23174915 
Hf       2.65951658       2.15846944      10.19557871      -0.74796607       0.80957859       0.66919602 
Hf       2.61547041       0.05552853       2.59486770       2.59076821       0.82495974      -2.64948413 
Hf      10.42925871       2.75285970       2.39174126      -1.58280910      -0.58912156      -0.36153703 
Hf       2.52775057      10.24684739       7.63550433      -2.37977722       4.93818456       0.84103340 
Hf       7.64859943      10.00218228       7.90121320       2.21404847       1.25233309      -3.03952782 
Hf       2.83161126       4.97512000       7.76563488      -2.65238358      -3.20935684       0.61102701 
Hf       5.02136145       5.02570272       5.35702536       0.77241358      -0.80560886      -0.50180992 
Hf       0.03670078       5.09984507       5.25007178       2.82387012      -0.00669456      -0.87015093 
Hf       2.53565507       7.90795103       5.19747860      -0.16275195      -2.89943622      -2.36996739 
Hf       4.93845690       5.35228919       0.13206021      -1.49119467       0.48169883      -2.42245553 
Hf       5.14002503       7.56401788       2.67657428       1.04595169       1.81910446       1.05032634 
Hf       4.91072032       7.80256518       7.68037826       2.13514336      -3.07836941       2.87215811 
Hf       7.80178106       7.63381090      10.29794369       2.93844869      -0.65469895      -0.57838708 
Hf       7.66420066       5.20388025       2.52954260       2.37828386       0.20340915      -2.64009329 
Hf       2.31434674       4.94695817       2.65671812       3.90555903       5.79182246       2.74368894 
Hf      10.16278497       7.91168871       2.41063076      -0.62630491      -5.58762878      -1.26420268 
Hf      10.36653791       5.11051432      10.05498583      -0.42956935      -3.58321271       0.90655620 
Hf       7.98844385       2.59864317       5.07403459      -1.59441361      -3.68079280      -3.78396080 
Hf       0.08686433       7.89208123       7.70953490      -3.66699075      -0.05727212      -2.50039636 
Hf       5.24184273       9.81242369      10.41156654      -3.12092861       1.00947207       2.30727094 
Hf       1.84631262       7.80971737      10.45383837       4.52060331      -1.25102221       1.50099711 
O       0.74092899       9.15298652       1.45513777       2.08777869       3.13833144      -3.52668985 
O       1.17486884       6.66889225       1.53848650       1.78272794      -0.68433644       0.06534556 
O       0.19619771       2.06409812       5.54925051      -1.68726783      -0.58642573       2.30667193 
O       1.19613542       1.50280660       3.51536235      -0.45551444      -2.88063809      -2.64094097 
O       3.46748628       3.41721723       1.02294849       1.15677969       1.41145731       2.30975411 
O       0.82870262       1.23454889       8.73506101       1.89742668      -0.13101096      -0.61074440 
O       3.61128434       4.11558395       4.05511004       1.96104171      -0.64609135      -0.38896996 
O       6.10508936       3.89534653       0.71475417       3.83464287       0.32651745       1.88270532 
O       3.80811128       1.39831237       3.23202337       1.26964566       2.24940539       1.79208938 
O       0.91561635       3.95236942       3.82246672      -0.28162078      -0.79812134      -0.44333436 
O       1.08725167       1.40755601       0.81290588      -0.46946406      -0.43894396       0.80291751 
O       1.97562095       6.10517173       4.50644293      -0.32879223       0.92976053      -1.20344082 
O       3.64523125       0.84054377       0.94472631       0.39776260       0.06749563      -2.44141771 
O       1.68855464       4.12955675       6.16261777      -0.91401201       1.36430741       2.34963478 
O       0.88086805       9.72862292       6.53215407      -0.06622941      -1.75855313       0.37374185 
O       6.65558291       1.94479956       3.72132732      -2.03454700      -0.71420035       1.75583450 
O       6.61831758       8.57140930       9.05684307      -1.91940661       1.71172695       0.04318039 
O       8.04465446       1.41294359       6.54597552       0.75297535      -1.44811022       3.12875589 
O       4.74749438       3.67318437       9.45067435      -4.13019157      -0.95947993      -2.56028193 
O       1.49201710       9.27674599       9.02104668      -1.54847862      -1.63275250       1.80026567 
O       1.24079637       4.07699947       1.56826587      -5.90917386      -2.94125828      -6.27956620 
O       3.40168947       8.80446824       6.79137076       1.21740328      -0.60340506      -1.93358398 
O       9.12816980       9.20354758       8.86572534       1.95522299      -1.57012431       1.97251024 
O       0.35675529       6.91229053       9.51969726       1.77243010       1.56152151      -0.45865774 
O       0.94230506       8.50013752       4.15128049      -0.23364162       2.04575785      -1.65983709 
O       4.56537120       7.15304129       4.54805937      -0.98267422      -1.36467756       0.58729626 
O       3.75882385       9.12690119       1.42802204      -1.45542358      -3.91235712      -1.20234752 
O       3.57553808       9.36438231       3.92822892      -0.04368588      -0.77106208       1.97094736 
O       1.40871567       3.82989625       8.98795287       0.80666562       1.67614021       0.93476771 
O       9.25025834       3.26901982       0.80310648      -1.37893437       1.72955491      -2.00629943 
O       5.00632874       1.26727345       6.31637410       0.28974196       3.40615318       4.38136371 
O       6.81988048       3.46537776       8.51153667       2.27452972      -2.85160672       4.77043963 
O       2.40715295       1.02185728       5.49872305       1.71558360      -5.89503165       4.07328367 
O       4.08187651       3.47362743       6.74258508      -1.35613793       1.99546796       0.14566709 
O       9.36979993       4.00256312       8.67272076      -1.46098264       2.76074704       1.50652162 
O       9.82996012       6.81310089       5.66775448       0.70754954       2.18867906       0.18245237 
O       8.97843919       4.02988032       5.85770000       0.73154226       2.66198003       4.07084409 
O       6.36779286       0.75156840       9.06502450      -0.15964471      -0.03190430       2.04126358 
O       6.57355092       1.72821401       1.57359987       0.12231818      -1.65528580      -3.80751603 
O       8.90063367       0.74920618       1.22919386       2.37510182       1.68712191      -2.03991393 
O       6.00836576       9.33951315       1.84848624      -0.03134392       0.24779664      -2.51024347 
O       8.64101184       9.20169360       6.29656053       0.63048628      -0.42005391       0.38511392 
O       1.55533112       6.77454519       7.03108599       1.65006296      -0.29750584       0.50540499 
O       6.86370863       6.08222270       5.96588995      -2.21726626       0.86304077      -1.26805437 
O       9.10310639       6.46902833       7.81251278      -1.73396916      -0.37799476       2.21608008 
O       6.51472962       3.48609487       6.34807433      -1.57513460       1.01238557      -3.69074734 
O       6.01865749       8.98327542       6.70421463       0.38361320       2.57378603      -1.03430086 
O       5.74950587       6.09130841       8.75925959       1.67060538      -0.00843843      -0.06797188 
O       3.24892440       6.30451024       9.75415678      -1.69862180       0.12205037      -0.29975520 
O       6.36430312       6.95958604       0.90329502      -2.38683808      -2.29626911       1.15770548 
O       9.16711527       6.47243121       0.80037313      -0.52502695      -2.26990236      -0.41591112 
O       8.89421381       0.69183047       3.98492401       1.55918457       0.66039867       0.07520232 
O       8.94311556       8.73374687       3.50666441       0.73683298       4.85054434      -1.13817424 
O       8.40512357       8.97948843       1.03739185       0.86863374      -0.81283095       0.21474261 
O       6.07794380       4.42091796       3.24847843       0.07966332       2.30264252       4.37184799 
O       7.06219101       6.77886815       3.52713243      -4.97997226       1.30630141      -1.41729339 
O       6.67853267       9.36082192       4.16781992      -1.27257673       1.22051609       1.00829451 
O       9.01028250       1.18864979       8.95146131      -2.38556076       0.89310745       1.22662141 
O       9.07151260       6.19718240       3.32366856       5.71805500       0.49974636       1.84239561 
O       8.78011622       3.65065672       3.32704830       0.28309110      -0.36925822      -0.29983420 
O       4.13719770       5.71153847       2.06150376       1.09892963       2.67778653      -0.89590808 
O       4.03778052       8.79882361       9.15343898      -0.04915670       0.88322933       0.93675408 
O       3.75324808       1.07725446       8.84273874      -0.92904306      -0.51638759      -0.93862012 
O       4.12870637       6.01995059       6.86047604       1.15052682       2.42685010      -1.53229513 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.023118853333101888 -0.003336324023584205 -0.005331361798136158 -0.003336324023584205 -0.012725268859446835 0.0020148835391119945 -0.005331361798136158 0.0020148835391119945 -0.02192267091156396" pbc="T T T" energy=-929.52332286 free_energy=-929.52341962 config_type=crystal 
Hf      10.43656056      10.40909045      10.27575922      -2.42993031       4.58153212       0.82124977 
Hf       5.20333727       3.00208723       2.40664942      -0.93836832      -3.08546557      -0.61649568 
Hf       9.88588291       2.54051348       7.67787140      -0.16397111      -2.61169127       1.63781131 
Hf       0.24636231      10.44918520       4.70724734      -1.27213456       1.69913083       2.68208789 
Hf       7.36629692       4.93875937       7.31373116       1.53674655       1.28950309       4.47175629 
Hf       8.26333514       7.71669095       4.83127296      -4.19867827       2.08735102       1.01353770 
Hf       7.55659713       2.37026535      10.38032284       3.41422517      -0.48258412      -0.03242666 
Hf       7.56229012       0.09391552       2.47038460       2.17916606       1.37615887       1.03495494 
Hf       2.27574133       2.78153572       4.88197061      -1.24575403      -2.99678040       1.48465680 
Hf       5.33062363       2.24745841       8.10169808      -1.18013814       4.14716593      -0.08903732 
Hf       5.06781442      10.31108328       5.24905541       0.01424023      -2.54277753      -2.48894292 
Hf       2.61268682       2.16121567      10.15172209      -0.00672806       0.23497322       2.61654497 
Hf       2.69987037       0.10483438       2.59078441      -0.90806126       2.30688450      -5.09042307 
Hf      10.39288134       2.81842740       2.41616665       3.13089296      -5.69325520      -5.86403660 
Hf       2.52815268      10.26950033       7.63042979      -0.77434021       2.34137434      -0.01968121 
Hf       7.67192503      10.03755134       7.90458342       0.33403140       1.81953342      -3.48507779 
Hf       2.80333546       4.98155723       7.74522297      -0.48574107      -1.22267212       0.70710423 
Hf       5.01426620       5.05930906       5.34592878      -0.51221055      -0.14498711      -0.64801437 
Hf       0.00826212       5.07440938       5.25848367       3.60459351       0.24511665      -2.82979880 
Hf       2.51584077       7.87861699       5.23367250      -1.79814157      -3.35431234      -2.00236195 
Hf       4.98723766       5.38064296       0.20131547      -0.32641291      -3.11411545      -5.92118558 
Hf       5.13623385       7.53194034       2.57405168      -1.42316780       2.06786900       1.82378630 
Hf       4.97471966       7.81242267       7.68166676       2.09442627      -1.69564200       3.67211641 
Hf       7.80436328       7.62283227      10.31903696       3.88992160      -0.77359682      -2.73332525 
Hf       7.61963893       5.19919234       2.49776972       0.37425474      -1.41675012      -3.34549563 
Hf       2.34225246       5.05343784       2.65577554      -1.28553334       0.50552922      -0.67351363 
Hf      10.19411219       7.78744079       2.39982797       0.27040644      -2.22851574      -1.35849960 
Hf      10.37819956       5.08907347      10.02829147      -1.00751926      -4.20251702       0.26252766 
Hf       7.97353328       2.62014755       5.07583111      -0.34951361      -3.65784727      -0.33845839 
Hf       0.03471890       7.89985615       7.76656753      -3.31218674       1.59090253      -4.69383254 
Hf       5.29505069       9.75020569      10.42889522      -0.50730724       5.26899288       3.84954090 
Hf       1.84353164       7.82213394       0.01672509       4.75986092      -1.00016624       0.90313188 
O       0.82680458       9.16505573       1.38111316       0.30806347       0.45265736      -2.14064914 
O       1.43588791       6.71410969       1.66453419       0.53929046       0.23660299      -0.05457637 
O       0.07622219       1.92231984       5.59245530      -1.79852609       1.34035079       3.16881917 
O       1.21336227       1.45667640       3.44842943       0.14850433      -2.72122448       0.67458338 
O       3.49184521       3.37087468       1.09054204       0.99003688       0.45256568       2.23801108 
O       0.92468071       1.32875359       8.92741563       0.50361572      -0.28329523      -1.10393149 
O       3.43542790       4.07527788       4.05675627       4.01511296       0.60043766      -0.70879191 
O       6.29121848       3.73420818       0.69764863       0.20115564       3.61221707       3.09119211 
O       3.81475595       1.46563390       3.33923630       2.48677739       1.99045362       1.86329714 
O       0.85019214       3.76473704       3.80176666       2.08527120       3.26328587       1.77686304 
O       1.07238213       1.41033992       1.08759936       1.22788910      -1.24876739      -2.82701742 
O       1.87001301       5.95423667       4.57979257      -0.41281535       2.65950482      -2.37793278 
O       3.70634318       0.68342727       0.97418270       0.10430616       1.50290141      -3.38756897 
O       1.65949063       4.30588877       6.16953143      -1.37914260      -1.20551928       2.35293469 
O       0.95470269       9.49117498       6.71423151      -0.59731721       0.40386774      -2.17113729 
O       6.74792347       2.00924424       3.63301384      -0.54080394      -0.63459000       1.77909436 
O       6.56480495       8.65443662       9.10836807      -0.42125018      -0.34254747       1.22147674 
O       7.85746082       1.31710879       6.71063847       1.10687051       2.29077620      -1.45366641 
O       4.66011804       3.67633700       9.48455700      -3.70121258      -0.28270782      -1.96478048 
O       1.44144504       9.21678419       9.02475244      -0.89814938      -0.21128072       2.09779748 
O       1.15154533       4.20638462       1.31765031      -1.86281435       0.19664448      -0.56712078 
O       3.44016270       8.72226042       6.78189686       1.11973724       1.84542055      -0.87856770 
O       8.96753216       9.20128249       9.01701719       3.47356091      -2.07443717       1.92498811 
O       0.35377745       6.97775243       9.37763649       2.80006935      -1.47934158       4.44559710 
O       0.76334999       8.49660308       4.22625617       1.70107447       0.47722782      -1.15945564 
O       4.39596361       6.97557420       4.61018464      -0.46232706       0.63611110      -2.22876424 
O       3.85558041       8.94780515       1.49963021      -1.34656583      -3.95315455      -1.54658419 
O       3.34269297       9.35495027       3.85097214       1.78281029      -2.73579051       4.91244672 
O       1.33486490       3.92177295       9.04364812       1.09631990       0.53100363      -0.83617031 
O       9.27364402       3.10992761       0.84314692      -1.63880024       4.16428141      -3.86554974 
O       5.18416329       1.15995178       6.54636246      -0.21335286      -1.46159655      -1.89564277 
O       6.87376131       3.37831499       8.68083384       0.06901407      -0.40791034      -0.98548153 
O       2.38149841       1.00203441       5.63274797       1.40441077      -3.21334283       3.11608761 
O       4.01881137       3.61437448       6.74484285      -0.99896505       1.00706241      -0.12166465 
O       8.96875723       4.09061871       8.73874626       3.22102435      -0.19403474      -0.31377660 
O       9.76796850       6.79789696       5.52660836       0.61891639       1.06945472       1.78928544 
O       8.98203507       4.17925686       6.10318483      -1.29690125      -1.53052836       1.52655539 
O       6.22645510       0.83699552       9.12581512       1.25279994      -1.90759959       2.05218350 
O       6.55029670       1.59052120       1.44253343      -1.70754335      -1.60037955      -0.78054010 
O       8.93494795       1.02306184       1.12580957      -0.21413069      -3.98200615       0.07253182 
O       6.00712594       9.49442892       1.84724097       1.23532135      -2.36768518      -0.15157622 
O       8.83213061       9.30895541       6.28964614       0.02089138      -1.79243268      -0.10179429 
O       1.58401353       6.88305143       7.03757262       0.36689748      -0.93446146       0.25493229 
O       6.79756832       6.18103682       5.80377814      -0.36893973      -0.44301144       0.82905288 
O       8.87605841       6.61237990       8.04142292      -1.51818247      -0.32781531       0.24592502 
O       6.37910494       3.54768344       6.10862704       0.85298726       1.09818982      -0.54503317 
O       6.15113185       8.88987285       6.61060755      -0.82085729       1.31148767       0.90456934 
O       5.79317012       5.98461335       8.75997171       1.95372958       0.93966697      -0.92876100 
O       3.45671845       6.42902610       9.78501344      -2.51796304       0.58466547      -0.05068563 
O       6.50387597       6.67693291       0.93369378      -2.02332205      -0.88060467       0.81261319 
O       9.31558616       6.15582876       0.76747064      -2.63870569       1.82262381       0.75349796 
O       9.01558384       0.52249071       3.94059767      -0.44566953       2.82978789       0.11931870 
O       9.00651823       8.82395683       3.36760524      -2.17889612       0.23525573       2.13869370 
O       8.54880880       8.87589199       1.09466007       0.44410730      -0.66123926      -0.35124809 
O       6.05387458       4.52327101       3.50204861      -0.78966959      -1.78348045       0.74270697 
O       6.71807240       6.73048877       3.33010014       1.14972227       2.55891003       1.10986235 
O       6.59771393       9.41515437       4.42936429      -0.17999715       1.10383515      -1.98855977 
O       8.92411156       1.09316717       8.91408755       0.42033177       1.65912353       0.03923649 
O       9.06646663       6.08868202       3.22434317       3.59007740       3.18678705       2.70430665 
O       9.03148074       3.73499043       3.16490467      -6.65023461       1.63015253       4.84422481 
O       4.16465305       5.60747074       1.95137673       0.58721542       2.99587890       1.78579884 
O       4.16992153       9.06509441       9.21125657      -4.02027051      -2.64670130      -3.93453753 
O       3.67224095       1.10326234       8.71764661      -1.31255930       1.25457273       0.41476030 
O       4.06096588       6.19568751       6.88174336       0.56117003      -0.05067857      -1.02642874 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.028979061569889063 -0.0034639203680483515 0.008285410976332728 -0.0034639203680483515 -0.043589338249817006 8.467811740521935e-05 0.008285410976332728 8.467811740521935e-05 -0.025143004714352653" pbc="T T T" energy=-930.01735118 free_energy=-930.01738452 config_type=crystal 
Hf       0.03314269      10.27043182      10.45998391       2.47432000       1.43500215       0.68300280 
Hf       5.04021139       2.75685443       2.73984403      -1.23092723       1.41603217      -3.90442280 
Hf       0.04133699       2.31178859       7.96083464       1.67751695       1.46509902      -1.45681525 
Hf      10.15554968      10.03368303       4.96239257       4.11612982       2.68426304       1.13909937 
Hf       7.78133795       5.15001648       7.70966688       1.12614942      -0.89515858       0.54519718 
Hf       7.32292425       7.95393208       5.33160798       3.10529188      -0.27331367      -3.53480095 
Hf       8.03571371       2.41523945       0.03626831      -2.23877026      -2.12928070       0.13289938 
Hf       7.69193452       0.00487798       2.78990052      -2.98378721       0.70756729      -1.00154723 
Hf       2.36558894       2.62631287       5.14790335      -0.32549560      -1.20319286       1.53149092 
Hf       5.25788836       2.26120221       7.27228815      -4.94432862       4.41928988       5.46431225 
Hf       4.45683105      10.28271150       4.71278155       0.78607624      -0.36697631      -4.17360193 
Hf       2.70036804       2.45036234       9.85772611       2.40266216       0.63151043      -0.40814872 
Hf       2.24498860       0.37876508       2.18309285       3.86875059       3.10624113       2.02836551 
Hf      10.08549271       2.32941357       2.81430906       3.46731764       3.30106613       0.12715034 
Hf       2.62167634      10.31419739       7.69324457      -0.50614968      -0.16292638       0.71267290 
Hf       7.89007203       0.14844044       7.89522831      -0.27382692       0.18915590       0.32122335 
Hf       1.84429683       5.34555670       8.06345155       5.52583905      -1.90584216      -0.16209245 
Hf       4.84513869       5.24737297       5.09406574       0.53430155      -2.78038483      -1.76220598 
Hf       9.93365107       5.23146842       4.51103111       0.47703265      -3.03738204       2.96129222 
Hf       2.04978015       7.15439101       5.32379590       3.50393704       4.92550272      -1.56682051 
Hf       5.55666822       5.01076829      10.10504524      -2.53275621      -1.45443580      -3.82555115 
Hf       4.80656540       7.75775760       2.70220245      -0.60440521       2.47877158      -0.34054706 
Hf       5.23794093       7.86739607       7.49404673      -3.75637669      -1.70738726       1.81651616 
Hf       8.20950203       8.08371306       0.60606980       0.33539181       0.33478757      -1.40133120 
Hf       7.29892703       5.34719717       1.98879465       4.71882763      -3.94258810       8.17248026 
Hf       2.84716403       4.84872483       2.05902191      -5.12366447       3.75529755      -2.48158624 
Hf       0.60670688       7.68417038       2.37572776      -1.85896083      -0.96526131       1.51162955 
Hf      10.07644792       4.80761998       0.01480925       4.18663581       2.32134773       3.11319075 
Hf       7.71295128       2.63177644       5.27653975       3.63669883       2.08654691      -0.12822170 
Hf      10.13652778       7.64059770       7.79624464       0.03752518       0.73886514       0.35341860 
Hf       5.52164256      10.02064570       0.07531048      -0.68765385       2.91285291      -0.51778434 
Hf       2.84235094       7.74763082      10.10441466       1.20567237      -1.66018349      -0.08167563 
O       1.29344795       9.35591934       1.68369100      -1.16050505       0.40250414      -4.02321842 
O       2.09609507       7.05025829       1.28741660      -0.72889075      -2.10720654       1.95633563 
O       1.51880293       1.08391243       6.62880294      -2.58801611       0.20345290      -1.61825119 
O       0.92000986       0.93050222       3.93542391      -0.29927751       1.73507005      -1.20020911 
O       3.66351852       3.56011822       0.85749043       0.79729446      -1.41582489       1.38895120 
O       1.38581290       1.08435264       9.05745409      -1.23622961       0.32305924       0.42005698 
O       3.46333654       4.10825918       3.67344530       2.57086695      -1.92884178       2.67604347 
O       6.59706994       3.55893083       0.90630206      -2.56399501       2.59057218       0.16058926 
O       3.68970129       1.35956472       3.44255998      -2.96276217       2.52259208       0.70173583 
O       1.03441547       3.48228957       3.84088775      -0.37086658      -0.68998042       2.93557449 
O       1.10197249       1.71782337       1.31741304       0.18848004       0.66800012      -1.22829060 
O       0.92561974       6.28045138       3.81832220       2.11248723       1.38888501       0.09086379 
O       3.57522755       0.94641796       0.50499080       0.21618980      -0.89829117       0.86616695 
O       1.79531020       3.41296921       6.99351641      -1.29622390       0.96276805      -1.94925738 
O       1.56767506       8.61485356       6.79709326      -1.31801245       0.52613446       1.31164970 
O       5.89877408       1.33661580       3.47033707       5.76201238      -1.90707925       3.05812984 
O       7.11988008       9.27862938       9.67578127       0.89278412      -1.66756410      -0.87848730 
O       9.00023464       1.67804972       6.84732244      -0.45136421      -1.04056566      -0.78688119 
O       3.49632789       4.23948283       8.77136689       0.27882798      -1.01494392       1.56525877 
O       1.98055576       9.30085268       9.55951602      -2.62216504       2.67690963      -1.42673537 
O       0.81062446       4.41555989       1.76935915       2.60792111       0.77497607      -2.46014089 
O       3.82781170       8.68757952       5.56362678      -0.22305302      -1.01590787       1.98918277 
O       9.66119589       8.83257407       9.40439292      -0.52654245      -0.83413459       0.39521663 
O       1.11759549       6.68822562       9.43747574      -1.65417627      -0.82503135      -1.81692526 
O       1.11990726       9.04809427       4.08423998      -0.64082062      -4.05591897       0.75652647 
O       3.43852076       6.66320220       3.64990200       1.67528791      -0.62958217      -0.29228699 
O       4.30413474       8.59344013       0.74059721       1.86653080      -0.36314395       1.13227277 
O       3.52409984       9.51442010       3.03219033       2.28220634      -2.61634030       0.66730653 
O       0.97478335       3.92258304       9.15053576      -0.43702584      -1.17497151       1.79029357 
O       8.91912002       4.09160683       1.35011405      -2.19057559      -2.67346694      -0.24116809 
O       6.66012116       1.48594084       6.50980004       4.44829254      -4.54278040      -3.38853760 
O       6.37877212       3.59644253       8.71410391       0.37655673       2.04499853      -1.34410879 
O       3.86621585       1.08388668       5.97970449      -0.23849174       0.12944575       2.35545091 
O       4.29894016       3.37554051       6.09866981      -0.82588430       3.69008476      -3.34740628 
O       9.08196770       3.60551453       9.35702038      -1.11274396      -3.46180190      -2.94359171 
O       8.29407154       7.08623344       7.18179414      -0.37251313      -0.74869312      -1.47484446 
O       9.45191857       4.09631735       6.41027789      -1.66146115       0.81818249       0.20073057 
O       6.93643219       1.24048930       9.16703719      -1.48904485      -0.00888658      -1.61740265 
O       6.57536932       0.96837877       1.02401615       0.45892304      -0.19288225       1.95810280 
O       9.31346508       1.27664970       1.23024278      -2.40240381      -1.16407020       1.37441047 
O       6.83506327       9.00070928       1.72813101      -0.61010972      -1.62336177      -1.83386875 
O       9.18383669       9.34730388       6.55223965       0.40316247      -0.90897537       2.02346516 
O       0.74129541       6.35958736       6.47207107      -2.24407193      -2.38949679       1.81510544 
O       5.74518531       6.86611094       5.71638600       1.42332259       1.50175772       2.88768956 
O       9.14500395       5.80052587       9.12388536      -0.88204468       4.08479892      -2.94545483 
O       6.79454484       4.32705467       5.54639073      -0.67713031       0.49037198       3.49428327 
O       6.54698321       9.17335909       6.91348577       1.01549730       0.50693831      -0.78286895 
O       6.28886892       6.31146503       8.70645604      -0.32561845       0.13611455      -1.77262555 
O       3.65328938       6.62826790       8.72370267       0.39575928       1.51156085      -1.15793798 
O       7.31787138       6.30957442       0.46154288      -2.71505854       1.38612120      -3.37900889 
O       9.43311625       6.42648334       1.92886215      -0.72365673       1.48603962      -1.84537424 
O       8.83601284       1.31061001       4.10542169      -0.68702065      -0.18414639      -0.54395131 
O       8.73348071       9.32037037       4.02112304      -2.78424966      -2.32762540      -0.12839425 
O       9.47834583       9.02190679       1.79973217      -0.88977513       1.33682804      -2.36063683 
O       6.21017346       4.27504750       3.31786735      -2.87047653      -1.07760981       0.06064323 
O       6.45678340       6.78061297       3.52977326      -1.66310815       0.26477756      -3.00661357 
O       6.08077533       9.36915427       3.88022507       1.24167010      -1.13650462       1.99202587 
O       9.31675398       1.03242438       9.31167850       1.09396768      -0.88350399      -1.19431194 
O       8.61358265       6.50325783       4.45602306      -1.17173343       2.89341036       1.99978469 
O       8.78698487       3.96076112       3.68965472      -0.85247361      -3.35399981      -0.36981946 
O       4.25291515       5.88449096       0.82370428       1.49771551       1.21223838       2.11679404 
O       4.35121830       9.51059418       8.42817130       1.59424829      -1.98067208       0.42134130 
O       3.99283479       1.52495433       8.46898414      -2.48896476      -0.69498263       2.04238742 
O       3.55420817       6.16153954       6.24248335      -2.35929009      -1.12075220       0.76255680 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03527514281276922 0.0032606304836675848 -0.003298144244147992 0.0032606304836675848 -0.03424452048401779 -0.0001638780684921601 -0.003298144244147992 -0.0001638780684921601 -0.02118225623155966" pbc="T T T" energy=-931.96846444 free_energy=-931.96860182 config_type=crystal 
Hf       0.06626214      10.29140253       0.00873122       1.05977633       1.17533192      -0.25909811 
Hf       5.01685292       2.71462374       2.69698442       1.16128530      -1.73963074      -0.14282845 
Hf       0.00470864       2.32047805       7.94162236       3.66683075       1.95603219       1.02882168 
Hf      10.04766127      10.06377963       4.98662455       2.58997651       1.40463523      -0.88787884 
Hf       7.77558060       5.12025259       7.70115472       1.49782264       0.10466198      -0.36670027 
Hf       7.39368058       7.90517591       5.28156175       1.74037255       1.06654275      -1.55902891 
Hf       8.08507241       2.42616438       0.03588870      -5.39956731       0.26948440      -3.25269257 
Hf       7.62784527       0.01338198       2.77610052      -2.87957795       1.76721056      -1.70629760 
Hf       2.41231603       2.63639109       5.05856596      -0.60520143      -0.63525783       1.29616296 
Hf       5.22713217       2.30062022       7.39366865      -0.30065979       1.38613111       0.07405906 
Hf       4.49148077      10.31870570       4.65340418      -0.03640741      -0.42625837      -0.68963327 
Hf       2.75694685       2.45368222       9.79611557       0.01307998       1.88860530       1.89774429 
Hf       2.29439848       0.34513393       2.23291918       2.24301430       3.52971185       1.60637723 
Hf      10.07961740       2.33827258       2.85982217       2.36233011       1.77739293       0.04879538 
Hf       2.59378172      10.34293412       7.67172198       1.33477360      -3.55537225       3.06009801 
Hf       7.93780523       0.16687069       7.88238723      -1.30561115      -0.11511597       1.02870768 
Hf       1.84420420       5.34813599       8.05305222       3.98920231      -2.75796014       1.53937940 
Hf       4.81647773       5.26876944       5.09415104       1.89402292      -1.62418622      -1.25133927 
Hf       9.92292782       5.22495562       4.52790649       0.81161410      -1.64948588       3.50667672 
Hf       2.12982083       7.15586926       5.32604174       0.94469821       4.23445580      -0.80004017 
Hf       5.49572647       5.09223018      10.10387481      -1.70781809      -0.56647730      -3.88442139 
Hf       4.77754598       7.74714634       2.74133892       3.68410017       4.14326927      -2.82768409 
Hf       5.21411369       7.81823905       7.43575334      -2.45813895      -2.22834045       2.48474293 
Hf       8.20470997       8.02104606       0.61008631       2.56596929       2.18896926      -4.08251836 
Hf       7.31735833       5.37680532       2.05942925       1.47012388      -3.45688508       4.34203702 
Hf       2.83145353       4.85143107       1.98590724      -3.99271729       4.66951501       1.46386178 
Hf       0.59378029       7.71239688       2.30572521      -1.59366269       2.61247322       2.49969371 
Hf      10.11563735       4.80008431       0.07578586      -0.10631918       1.48155705      -2.30053305 
Hf       7.73327685       2.68256346       5.29380469       2.17516545       2.74877976      -0.82960060 
Hf      10.14440151       7.64955729       7.81088131      -0.30587175      -0.38545924       0.81985052 
Hf       5.44782707      10.06445313       0.07567146       0.11043400       0.29430043      -1.51120143 
Hf       2.81144216       7.69083640      10.14442662       0.96344444       0.00413810      -0.77967323 
O       1.37939314       9.49681626       1.37622031      -1.45488811      -3.11180634       0.98135123 
O       2.17134862       7.15252656       1.51678337       0.72197174      -1.51484538      -0.52113663 
O       1.53297301       0.94224812       6.76191008      -7.11834819       2.11305254      -2.31355582 
O       0.96149976       0.95202188       4.02694193      -0.54491636       0.82768458      -1.09890718 
O       3.89961297       3.56439042       1.19767605       0.49237317      -2.22101258      -1.99726750 
O       1.24285476       1.33854252       9.32580452       0.26162923      -1.23114018      -1.00704628 
O       3.36137137       4.05704932       3.80359040       1.17999441       0.66066592      -1.51948028 
O       6.54598159       3.69202332       0.95626917      -3.18679212       1.60799206      -1.09011327 
O       3.58041868       1.49673725       3.63875644       0.17084617      -0.32402913      -1.04355728 
O       0.78912165       3.62782847       4.16369058       0.55505442      -1.07133476      -0.42482763 
O       1.04497586       1.69853103       1.38173830       0.06836996      -0.20703079       0.99713745 
O       0.97440573       6.40193340       3.79943961       0.13837617      -1.16962956      -0.08532387 
O       3.49758027       0.97149686       0.57913713       1.28973804      -0.68847671       0.94074175 
O       1.96678486       3.32521651       6.82882876      -1.97134926       2.34434654       1.43908297 
O       1.53604599       8.56197109       7.12034802      -0.56836996      -0.89254360      -0.70529269 
O       6.25403846       1.37956060       3.61522507      -0.76108203      -0.57777999       0.89533485 
O       7.12000431       9.50053763       9.66406614       1.65850011      -2.47133780      -0.13474063 
O       9.15926750       1.67651778       6.82210454      -3.07493908      -2.89762918      -3.12289918 
O       3.63774781       4.23601590       8.85909929       0.81284908      -2.64122486       1.22964276 
O       1.78349417       9.38712285       9.67943617       0.91650417      -0.60567107      -2.35563460 
O       0.91094445       4.37878282       1.43981159       3.48377149      -0.37502452       1.94690768 
O       3.95273542       8.45956372       5.47828612      -0.76544101       2.48468599       1.33358994 
O       9.73921796       8.72375406       9.44458197      -1.21655979      -0.09839675       0.72962835 
O       0.95396891       6.36407328       9.71658281       3.17897312       1.44077059      -1.80770421 
O       1.01931347       8.78414162       4.30815544      -0.99266711       0.06726908      -0.09671856 
O       3.61774554       6.65522486       3.56434217      -3.23424185      -4.75083747       3.16794826 
O       4.47351135       8.53040116       0.87815468      -0.60630973      -0.15801365      -2.21129320 
O       3.70715797       9.38284814       2.98477677      -1.78603238       2.74656563       1.46142195 
O       1.00095660       3.80903879       9.34898297       1.72929546       0.58365634      -1.62321053 
O       8.69613784       3.98426558       1.31662943       2.10400410       0.61340951      -0.28685554 
O       6.74261187       1.34390215       6.31108469      -2.52442847      -1.46259594       2.25011782 
O       6.64789496       3.64019125       8.67356046      -2.13604618       2.19242664      -1.06664638 
O       3.55556522       1.07764443       6.09155478       3.92207324      -2.28693078      -0.55298301 
O       4.42211488       3.34450038       5.81367728       0.70105988       0.41624918       1.14479968 
O       9.12481559       3.38605025       9.14244894      -0.06581250       1.29705215       0.34426340 
O       8.45540770       7.02804116       7.07474051      -0.75152589      -0.68408635      -2.61495527 
O       9.19551164       3.96272929       6.30357812      -0.24742308       2.01591002       0.82993583 
O       6.84076170       1.32508382       9.10614944      -1.88102209       0.17070196      -1.22251044 
O       6.62037911       0.69002453       1.17619103      -1.38063697       2.18966593      -0.30442611 
O       9.04636734       1.45325887       1.23984678       2.06771861      -2.60546064       3.70602542 
O       6.94432935       8.79669886       1.63729455      -2.22122294       0.20447028       1.90255025 
O       9.00259654       9.42462052       6.50946115       2.08769664      -0.70959168       0.60462257 
O       0.78583317       6.19846157       6.46544701      -1.15428987      -0.87242283       0.78036104 
O       5.85393321       6.90869895       5.82922011       0.00479117      -2.44810504      -0.38284835 
O       9.35675716       5.88606644       8.84605820      -0.83563786      -0.32147020       0.11284925 
O       6.75035257       4.41309008       5.60367559      -0.59650186       0.66220351       3.35687862 
O       6.81566794       8.78810151       7.08908297      -0.39822137       2.81316413      -0.37936371 
O       6.35844404       6.46180289       8.74617182      -1.16521480      -1.53229083      -2.24556811 
O       3.65537163       6.48767910       8.64678562      -1.91045878       2.94016704       0.92963283 
O       7.10629338       6.38376439       0.36050146      -0.46839876      -1.62478158       2.61461535 
O       9.77360267       6.39661071       1.57463257      -2.97778085       1.26960431      -0.84062731 
O       8.71943298       1.40543901       4.02602520       1.63459819      -2.05658364      -0.26187940 
O       8.61936815       9.33925882       3.88484506       1.16528104      -3.33187865       3.94037798 
O       9.46763305       9.42908833       1.76633494       0.03283203      -1.48842803      -2.82089181 
O       6.29770156       3.89900729       3.39794456      -0.86968434       2.70143598      -0.51486577 
O       6.33786979       6.77629294       3.49816345       0.22168196      -2.47475688      -2.32572602 
O       5.99844224       9.22253809       3.92105780       1.79277128       0.05527290       1.21560602 
O       9.40001260       0.99046182       9.16617467      -1.19755651      -1.71141086       0.06397730 
O       8.50012590       6.51503356       4.38649745       1.17010594       0.33092703      -0.29887086 
O       8.80965707       3.83260920       3.82254207      -0.52448770      -0.37778531      -2.32186708 
O       4.04399336       6.03705759       0.67404432       1.52907139      -1.04079483       1.20959653 
O       4.46605010       9.24462909       8.54449767      -1.07850429       1.55860574       1.20563829 
O       3.73384752       1.46417334       8.42976488       1.84545930       0.17522235       0.65002743 
O       3.50897462       6.13127318       6.30043156      -0.83600363      -1.96634915       0.04998839 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.035824553451129726 -0.011948164354340329 -0.003126085423403028 -0.011948164354340329 -0.02311910769956481 -0.00011889578060681188 -0.003126085423403028 -0.00011889578060681188 -0.031184686745118186" pbc="T T T" energy=-931.13484627 free_energy=-931.1361525 config_type=crystal 
Hf       0.32788522      10.46592254      10.38476072      -2.08703236      -3.52188331       0.55966349 
Hf       5.23469453       2.60056309       2.44159407      -4.51005807      -5.02095105       2.56229145 
Hf       0.19319674       2.40367806       7.73297950      -4.10806765      -1.92971275       1.66022114 
Hf       9.95757806      10.35241053       5.31243547      -0.64751011      -0.88722532      -2.74034522 
Hf       7.94511943       4.96321626       7.74298425       1.79929182       1.85393868       2.41123020 
Hf       7.77458725       7.78431883       5.05008112      -5.16948637       2.83224210       7.72091513 
Hf       7.65708846       2.46145546      10.30496160       2.67226602      -0.05975241       0.91359686 
Hf       7.39913001       0.08936230       2.59172041       0.88600588      -1.59207284       1.19423589 
Hf       2.54278150       2.62952212       4.91707623       1.53319801      -2.36013529       1.27961537 
Hf       5.23590672       2.68595713       7.86576659      -0.20417038       0.18359503       1.24139491 
Hf       4.94957776      10.43438851       4.87786692      -2.74664738       1.17146688       0.98683044 
Hf       2.76288464       2.51647680       9.99748515       0.79699791       0.94973996      -0.87282581 
Hf       2.40648217       0.35848849       2.44458332       1.87765700      -1.35152848       1.23458328 
Hf      10.36679161       2.41337008       2.94339121      -2.58883694       1.14775050       1.85303566 
Hf       2.29543547      10.11400494       7.59560372       1.75904274       0.81195526      -1.44915698 
Hf       7.51190970      10.40037639       7.71822122       2.99988359      -2.44721579       0.94378836 
Hf       2.25896537       5.20707736       7.78251592       2.80306886      -0.55196389       1.49306663 
Hf       4.94477922       4.88689370       4.89747743      -2.60821827       2.24212949       1.21313671 
Hf      10.17978584       5.19264447       5.02000576      -2.63153221      -0.66666653      -3.89923523 
Hf       2.32641657       7.45386479       5.34434357      -2.29294069      -3.45583857      -3.91026111 
Hf       5.32955231       5.43005630       9.69756196       1.90708279       2.35083086       3.52056229 
Hf       4.90696661       7.91610775       2.71713887      -0.58462334      -1.58302053      -1.55788470 
Hf       5.01563204       7.59979114       7.32588032       0.58513987      -0.42634766      -0.78375554 
Hf       8.11590060       8.07496081       0.19724506      -3.22117964      -4.34415402      -0.86519609 
Hf       7.35706395       4.85403883       2.61931423      -0.12161570       3.18758761      -4.40021362 
Hf       2.57147794       5.19432336       2.07078738       1.93150449      -0.40430010       3.30373761 
Hf       0.24893124       7.84141865       2.47512139       0.05764096      -1.73307338      -0.64690640 
Hf       0.03201004       4.89950024      10.42320192      -3.19283295      -0.04107772       0.62266860 
Hf       7.66744078       2.93575968       5.22161146       1.41554631      -3.93285210       0.75723418 
Hf      10.14588352       7.57880128       7.72651097      -1.77205664       0.49487529       1.38984321 
Hf       5.00647600      10.19424469      10.10478003      -0.18680738      -0.17399487      -0.00873953 
Hf       2.82087796       7.77681906      10.41665971       1.41556361      -1.86369092      -1.20334087 
O       1.23266550       9.36868099       1.58027699       1.43571014      -0.39711525      -0.94970705 
O       1.98407293       7.00831164       1.58694668      -0.14229447       1.12027956       0.32048160 
O       0.43207069       0.30462723       6.90402265       2.21692481       1.20905615       2.78335065 
O       1.18136542       1.15682584       4.01868504       1.76635087       0.32343848       0.22704512 
O       3.64003195       3.32072494       1.18675886      -1.16079168       0.94107622       0.71468044 
O       1.46060573       1.03839043       9.22639185      -1.51852346       2.78094324      -1.79307559 
O       3.45075680       4.19530562       3.90319482      -3.39632276      -2.67595116      -2.83909658 
O       6.14794615       3.66168150       1.36205232       4.09339073       1.01144915      -4.03578063 
O       3.91996533       1.44878834       3.60452317      -1.50580437       0.97721129       0.35478905 
O       0.74656619       3.49732626       4.69389017      -0.75622707       0.00929411      -2.01553290 
O       0.65086828       1.15050049       1.76356496       0.02931013       0.25589833      -4.23618679 
O       0.97176459       5.82611353       3.57396124      -1.20510522       1.84745351       0.42541653 
O       3.19114333       0.95916485       0.64081884       0.01069309      -2.38650973       1.99774811 
O       1.68934620       2.65580568       6.71275997       1.40288686       1.25403587       0.14031979 
O       1.63974803       8.28363402       7.47737470      -4.02038979      -3.15812632      -1.87249678 
O       6.52203796       1.31127336       4.10673488      -0.40431678      -1.80197219      -0.46000916 
O       6.51872081       8.75349324       9.62050351       2.70595350       2.43749345      -0.13172027 
O       8.54135310       1.11371148       6.30939817      -1.14386003       0.42660276       2.39027591 
O       3.63688571       4.00329000       8.78248378       3.13880195       0.09662015       0.77931183 
O       2.02004683       9.25487268       9.39403127      -1.31352528       0.53828135       3.88796355 
O       0.67732976       4.09336682       1.84995109       1.87688754      -0.47606838      -2.63748803 
O       3.38687205       8.57869849       6.22287336       5.54259337       2.25798122       1.10925905 
O       9.67159029       8.82825697       9.48805930       1.20578851       0.45111177      -1.58902454 
O       1.77109612       6.06568056       9.48035858      -3.05668834       0.42936283       0.87446325 
O       0.91027535       8.68000900       4.30609663      -1.12932512      -0.40228935       0.50406012 
O       3.45586503       6.59426720       3.83438887       0.87551031       1.75487619      -0.53097684 
O       4.30369997       8.84787304       0.90573469      -2.91667760      -1.57160514       1.14289690 
O       3.54882499       9.56141543       3.73807010      -0.13977280      -1.74484723      -2.60028438 
O       1.28864397       3.72185430       8.92926281      -1.31354029      -0.81074240       1.20977887 
O       8.56501435       4.45270015       1.22539201       2.88574389      -2.35653259      -3.15341435 
O       6.07304793       0.95528681       7.33404804      -2.53877537       1.53783676      -3.36626446 
O       6.80400859       3.97289186       9.32266508      -2.06606694      -0.89192836      -0.68607629 
O       3.13079334       0.45978927       5.87235394       1.25409245       1.54733715       0.88488287 
O       4.23274259       3.15706727       6.37129454      -1.29592882       0.11693712      -3.81541186 
O       9.29970820       3.61232415       8.94497687      -0.61056141       0.10790743       0.96968628 
O       8.72222484       6.36662348       6.52129423       1.29510046       0.16258822      -2.79244803 
O       9.16561242       3.76436559       6.36738981       0.60815682      -0.12292288       0.61102977 
O       6.32105395       1.11604911       9.64012900       2.59601055       2.42248407       0.62452388 
O       5.65904776       0.51370067       1.63939249       0.95863379       2.33311578       1.12484371 
O       8.48575466       1.51132996       1.64363706      -0.84736901       0.59144512      -1.01118969 
O       6.49898616       8.58002382       1.67990904       3.16930416       0.79225301       1.82573641 
O       9.13534449       8.78943061       6.50656515       0.67508636       0.31204849       0.86296445 
O       0.89880743       5.80985743       6.29076760       1.99912312       2.57194831       4.36094210 
O       6.01369630       6.17250163       5.64287967       2.75711102       4.42742375       0.35656000 
O       8.90218445       6.45830959       8.88798517       1.62563163      -0.62251284       1.36206505 
O       6.54923700       3.88771269       6.90842641       1.03436975      -1.44517090      -3.84888862 
O       6.50186384       8.82328741       6.65889410      -0.03094904       1.39027273       0.64603709 
O       6.40149131       6.43045055       8.14203764      -0.35567368      -2.20355554       1.21899627 
O       3.90917887       6.58597839       8.78582773      -0.28822714       0.51967436      -0.38117774 
O       6.85828452       6.19176781       0.55534620      -0.17365159       0.89793779      -1.20969722 
O      10.22844865       6.55185041       0.79269104      -1.18004868       1.92604552       1.30261368 
O       9.14892878       1.23890251       4.15441523       0.03835385       3.58431746      -2.81442645 
O       8.21505131       9.59289912       4.48629456      -0.09262130      -0.05568024      -2.65312625 
O       9.27897602       8.98935241       1.51290491      -0.84654567       1.40619573       1.78593988 
O       6.06936246       3.53690650       4.09032692       2.45267869      -0.61212986      -0.55377705 
O       5.63134529       5.56018581       2.82049134      -2.90816474       3.51213676       2.72141105 
O       5.79387512       8.77558760       4.22543289       1.52910901      -0.77914410       0.16719252 
O       8.95590442       0.87171075       9.16183444       0.40641471       1.08918678       0.90312834 
O       8.52867120       6.89695975       3.76219668       4.15206788      -4.63923365      -6.15284508 
O       8.65065654       4.17357915       3.86452671       1.42105747      -2.51489142       2.71685731 
O       4.07885784       5.94879027       0.82443555      -1.19730025       0.44744915      -0.29756046 
O       4.44798533       9.00699664       8.61643751      -2.12405567       1.74389977      -0.72739839 
O       3.97330025       1.49558921       8.78012773      -1.39326593      -2.08173121       0.84560044 
O       3.45181451       5.73418932       6.26861254       0.11253431       1.25865858       0.49784369 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011355502186092067 -0.00680339747097126 -0.00545763235243933 -0.00680339747097126 -0.010568496288221459 -0.006567785919099089 -0.00545763235243933 -0.006567785919099089 -0.0025890360376927555" pbc="T T T" energy=-934.51847708 free_energy=-934.51853433 config_type=crystal 
Hf       0.31769773      10.40086360      10.36415319      -2.02242139       0.21024331      -0.20289595 
Hf       5.23649555       2.56623479       2.38737779      -3.29518239      -4.70251157      -1.95035462 
Hf       0.15866812       2.37168373       7.72579864      -2.36754976      -0.94878181       1.53410039 
Hf      10.02155333      10.39099857       5.34651457      -2.49727145      -0.10256466      -2.05312649 
Hf       8.05947460       4.89035655       7.84597731       0.96767533       2.14248048      -0.74655649 
Hf       7.70872377       7.82634627       5.10003305      -1.54329245      -1.65922407      -1.98594606 
Hf       7.59877738       2.50642810      10.29039746       7.91914711      -0.58328452      -0.29241058 
Hf       7.47231241       0.09745246       2.54926688      -0.72984783      -2.86136073       0.21428074 
Hf       2.57020954       2.51939216       4.96144674       0.30759116       0.49692775       1.83933579 
Hf       5.24863697       2.76504769       7.91555242       0.18116646      -5.33256485      -4.80491978 
Hf       4.95963620      10.42984346       5.08021865       0.46216251      -0.59100577      -0.99137695 
Hf       2.69318728       2.50784281      10.07926637       0.74877455      -2.12281200       0.98517718 
Hf       2.37894727       0.27845367       2.47419597       0.42778413      -1.65007188       0.66392000 
Hf      10.38928683       2.46236519       2.88091585      -0.50555803       1.95809869      -2.61952848 
Hf       2.30401210      10.03558411       7.56752929       2.11164688       0.53574436       0.65048275 
Hf       7.36973684      10.29051060       7.74782350      -0.31508401       2.29465546      -0.01339318 
Hf       2.42605354       5.17381222       7.74702556      -0.89966938       0.12775754       1.16163372 
Hf       4.95682152       4.81916608       4.83421313      -1.07631961       4.86721498       0.97512063 
Hf      10.27044082       5.18845140       5.01405709      -2.93903808       0.51085212       0.23850231 
Hf       2.23961787       7.48720099       5.28570490       0.98862209       0.05142870      -0.74335238 
Hf       5.42845790       5.48715256       9.70722017      -5.10480874      -0.02481841       4.23537409 
Hf       4.93982630       7.91661934       2.67655712      -0.30980545      -0.00445136      -0.32182110 
Hf       5.04773083       7.59979889       7.31362043       0.21774073       0.24891946      -1.68149538 
Hf       8.06710142       8.03249546       0.13153114       1.63374512      -1.04225207       0.58084901 
Hf       7.35035470       4.74891140       2.55938069       3.35322303       4.96724226      -1.15896264 
Hf       2.50004246       5.22748499       2.23494910       3.22636432       1.59948704       1.65131159 
Hf       0.14265117       7.80252238       2.58815227      -0.85971312       0.27256604      -2.85153998 
Hf       0.00741143       4.89036628      10.38792810      -2.04400720       3.87893554      -1.06452762 
Hf       7.66767251       2.79588562       5.21515664       1.54932952      -3.47626557       0.44512105 
Hf      10.11420589       7.56436138       7.71410444      -1.29078062      -1.31503737       2.95783762 
Hf       4.90863503      10.21445094       9.96910323       0.57706508       2.20851423       3.27173713 
Hf       2.86324357       7.83924210      10.43071508      -3.52501028      -2.99420554       1.30562721 
O       1.27614753       9.30749673       1.60011787      -1.05339373       0.69892786       0.60453877 
O       1.84847473       7.04477755       1.69281774       0.70635157      -0.72256253      -1.12542995 
O       0.48104581       0.39450185       7.06589468       0.00979559      -0.69534560      -3.08469514 
O       1.15504230       1.26405531       3.89802483       0.37709638      -2.02492435       0.62833259 
O       3.79643644       3.39200531       1.22353164      -0.64327690      -0.45286076      -0.04581136 
O       1.32996662       1.18447964       8.97119030       1.36059704      -0.41004121       1.21254308 
O       3.12736744       4.22965705       3.98226539       2.04829169       1.07597037      -1.01044539 
O       6.66500322       3.51883388       1.06053659      -3.85976943       0.84622601       4.81194198 
O       3.84528617       1.83504900       3.62091240       0.31772592      -1.02466548      -0.49980049 
O       0.87636392       3.61682954       4.46490248      -1.06007411       0.05279638      -1.44969878 
O       0.78334169       1.38371830       1.25369659      -1.54841002       1.92474495       1.45737938 
O       0.98344528       6.38186666       3.93917144      -0.00779026      -1.59966014      -0.33276024 
O       2.97457170       0.85010830       0.80514802       2.44659576       0.79448782      -2.68064530 
O       1.81507195       2.95271158       6.79733283      -0.80976843       1.17715307       0.25244235 
O       1.43712805       8.18979470       7.24557861       1.91209478       4.21274095      -0.41315994 
O       6.59092094       1.09789109       4.25279039      -0.58027804       1.65807057      -0.71810629 
O       6.62221101       8.90116054       9.17036575       0.99652092       1.85156242       1.47670382 
O       8.46092255       1.19563053       6.61037625       0.83479124      -0.67429000      -0.44518271 
O       3.93644321       3.70856023       8.82499717      -4.22235591       4.32584548       0.97732811 
O       1.89095860       9.37056815       9.63340551       0.58091491      -0.66500548      -1.91147608 
O       0.93494115       4.27725053       1.50064983       1.08636190      -1.64783961       1.16950877 
O       3.71222100       8.97489586       6.02896618      -1.05694463      -2.88711191       0.66433159 
O       9.55531332       9.03493260       9.18153769      -0.05845150      -1.78465712      -0.65239503 
O       1.40462506       6.26316729       9.15794771      -0.11256767      -1.18591700       0.44294212 
O       0.80188717       8.63644952       4.40057512      -0.57974964       3.85533078       1.39148453 
O       3.48862665       6.73135422       3.80779310       0.52989423       1.08388024       0.20428305 
O       3.93948867       8.96024119       1.06047254       2.49012060      -0.35995702      -1.57130611 
O       3.77087704       9.68190013       3.38814736      -0.42884576      -1.33619479       1.40161857 
O       1.27251597       3.51615579       9.02087179      -0.78331023       3.34704628       1.69055751 
O       8.93029781       4.27698762       0.88461202      -1.85058324      -0.12346947       4.34238893 
O       5.80206911       0.89395687       6.71874517       1.17832577       1.46372596       2.38952020 
O       6.22767630       3.74857796       9.24360540       4.06628539       1.78515222      -0.89009608 
O       3.37660701       0.79822484       5.98540815      -2.67948575       1.02879144       0.82866139 
O       4.22485485       3.47329147       6.07764887       0.73024079      -0.55969740       1.01336131 
O       9.15269274       3.78992437       9.26737885      -1.21363176      -1.53806583      -4.73007039 
O       8.92438169       6.20932151       6.37917025      -0.47117625       0.51532796       2.09804757 
O       9.27360466       3.84031902       6.39589639       0.97322777      -1.59374833       2.52980542 
O       6.32861118       1.46015662       9.32730548      -0.19070209      -4.15069530      -1.16037631 
O       5.30799006       0.49062029       2.04784642       3.76971541       2.45800254      -2.38137602 
O       8.51477607       1.51944566       1.53180038      -1.20067931       0.46108648       0.46106120 
O       6.91948207       8.58277591       1.70651988      -3.67548149       0.23431680      -0.11481791 
O       9.28051654       8.53534173       6.18279294       0.22940303       3.13532493       0.81656221 
O       0.98142081       6.17936589       6.68632789      -0.00676388      -3.55764346      -2.43484722 
O       6.36009005       6.41117987       5.70938568      -1.97714466       0.28901859      -0.02009513 
O       8.85026121       6.48071594       9.40960665       0.74468164      -1.88809133      -4.65828164 
O       6.74671263       3.92745516       6.54389076      -1.52141756      -0.02944096       1.95565857 
O       6.33887371       9.00676523       6.57501180       1.79517592      -0.56815576      -0.48063037 
O       6.32168528       6.35256842       8.34414896       1.21556948       0.13436248      -3.90699712 
O       3.81847396       7.02539269       8.84647789       0.87863485      -2.91631878       0.26812440 
O       6.67647679       6.28747901       0.26215256       2.52049383       1.24972852       3.28353156 
O       9.97092152       6.96738827       0.90684338      -0.80096850      -0.81079610       0.51156197 
O       9.22838011       1.99690491       4.29667307       0.91662342      -4.63969934       0.44852064 
O       8.16047050       9.86952047       4.33447521       3.71286604      -1.60608334       0.65282589 
O       8.99076702       9.26909059       1.63514395       2.66491666       0.99161554      -0.51679062 
O       6.25748560       3.50944748       3.80764490      -0.16079177       1.78773603       0.64086341 
O       5.71646627       6.01212585       3.05766108       2.28282939      -2.41238164       0.06104891 
O       6.01436834       8.72720225       4.06677252       0.03053938      -0.06711767       1.10992693 
O       9.23373200       0.95224010       9.17979496      -1.05976462       1.70907419       0.74221424 
O       8.60383914       6.42962853       3.65007605       0.40226030       2.63326870       0.39807117 
O       8.72899752       4.16382214       4.04011082      -1.45950399      -0.19671384      -2.04222913 
O       4.03216122       5.88755766       1.09940147      -0.47984832       1.43841573      -2.06858577 
O       4.34918263       9.30261990       8.47445597      -2.12234756      -0.62898934      -1.61029302 
O       3.96580551       1.29708883       9.00136666      -0.37311184       0.38318586      -0.50271477 
O       3.58522842       6.19636038       6.33697252       0.82901964      -0.80590636       1.23953620 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.028084641915154328 -0.006607823677213404 -0.012493468772503513 -0.006607823677213404 -0.0417165121949082 0.00549398236481869 -0.012493468772503513 0.00549398236481869 -0.03489704668894891" pbc="T T T" energy=-932.1054037 free_energy=-932.10548535 config_type=crystal 
Hf       0.28247143      10.35144419      10.34901728      -2.63603218       3.12740874       0.79579845 
Hf       5.19653214       2.49057348       2.32721263      -2.10634909       2.89903505       1.89071682 
Hf       0.09842812       2.33404183       7.74065321      -2.22290549      -0.99779969       1.20886823 
Hf      10.03675936      10.42395099       5.33988371      -1.21498075       4.41776759      -3.72256223 
Hf       8.15609751       4.87706939       7.91649228      -2.85900426       2.91658640      -5.63049008 
Hf       7.63951885       7.84809357       5.12855041       3.07370216       1.34733578      -2.96799576 
Hf       7.64516547       2.53520607      10.28323104       5.40105470      -1.67418180      -0.48981730 
Hf       7.51511634       0.06774143       2.52625966       0.56309389      -1.89365091       2.27169728 
Hf       2.59780284       2.44564648       5.01514358      -3.40960017       3.26743896       0.61158447 
Hf       5.24945553       2.76335970       7.89860419      -2.41505483      -3.35022881      -4.58082496 
Hf       4.96585825      10.42022397       5.20835926       0.94603023      -0.18933433      -2.87804824 
Hf       2.65172198       2.48171332      10.14713161      -1.59194712       0.68953870       1.32733003 
Hf       2.37388969       0.20314664       2.49988903       1.76368097      -1.38278990      -0.69315403 
Hf      10.39217717       2.52261115       2.80556769      -1.83469217       0.60081710      -1.28128049 
Hf       2.33500242       9.99182367       7.54856432      -3.26440952       4.33900836      -1.15769281 
Hf       7.27779682      10.24158478       7.76630859       4.61835639       8.34461312      -5.16710883 
Hf       2.53932661       5.14863536       7.73561960      -3.30621597      -0.24535449       1.08932645 
Hf       4.96406738       4.83876415       4.80826721       2.04660354       4.67380479      -1.45451310 
Hf      10.29660015       5.19044364       5.00794985      -4.38048730      -0.83107057       1.16697630 
Hf       2.19169198       7.50831718       5.23642103       1.35004875       2.59898968       2.26641638 
Hf       5.45158936       5.54331555       9.76766750      -2.96677703      -0.12437820       1.83652612 
Hf       4.95927668       7.91042618       2.63812377       1.89461685       0.25204626       0.51308533 
Hf       5.07211739       7.59996226       7.27707727       1.22492334       0.92073402      -1.08545227 
Hf       8.04222871       7.97893489       0.08676103       1.49814025       0.44342113       2.23220302 
Hf       7.38247703       4.73778834       2.49021899       5.01369775       5.99487892       1.30221143 
Hf       2.48992824       5.26964671       2.37031307       2.07639307       1.73555139      -3.93396907 
Hf       0.05800473       7.77669724       2.63324474      -0.55445014       2.19735421      -0.44849326 
Hf      10.42391090       4.92767493      10.35815721      -0.27272584       1.29885875      -0.10481161 
Hf       7.68793758       2.65267869       5.21534095       0.68514481      -2.86016581      -0.07736207 
Hf      10.08898455       7.52851674       7.75430658       1.57179908      -2.14598781      -1.20957176 
Hf       4.84644602      10.25098489       9.90853407      -0.22259000       1.02894294       2.27024648 
Hf       2.85464401       7.84575438      10.45246238      -4.16406194      -5.18542667       1.71589479 
O       1.20879366       9.30641557       1.66331854      -0.63392282       1.45245348       0.19885213 
O       1.85495990       7.02028016       1.60405641      -2.58213483       0.65017606       0.56036446 
O       0.55909488       0.43483366       6.88000294       1.64907619       2.17854762       1.75210992 
O       1.29251866       1.05031132       3.93814073      -0.92695506       1.77141807      -0.16533427 
O       3.78904092       3.41605548       1.26019056      -0.09848070      -0.58982361      -0.97506561 
O       1.38837565       1.36473356       8.87876518       2.07756208      -2.67302240       2.10964148 
O       2.95033051       4.22837138       3.83005209       4.47541131       0.40819862       3.85469506 
O       6.66013340       3.41619562       1.30788963      -2.14552711       0.28241466      -2.46236627 
O       3.76760980       1.98795076       3.60638291       1.06184748      -2.58485953      -0.67243047 
O       0.78133155       3.76172665       4.07911803       0.38884258      -0.36894422       0.10597294 
O       0.65734215       1.81003991       0.98946429       1.00473563      -2.29331259       0.90921826 
O       0.93158547       6.59975913       4.13474369      -0.24265398      -1.87932956      -2.33988596 
O       3.08900871       0.77671209       0.71648696       0.43818045       0.27847091       0.78660549 
O       1.84205444       3.32261806       6.87678186      -0.40224838       1.05149936      -0.41512949 
O       1.36959950       8.44678428       6.97288858       0.28959992      -0.47834426       0.73988634 
O       6.57343255       1.10455136       4.25910821       0.26442446       0.74854486      -0.59242402 
O       6.90052433       9.20918834       9.16573404      -3.08327461      -4.37309715       6.14818234 
O       8.49699996       1.17606596       6.80184470      -0.08921456       0.05344744      -0.70826190 
O       3.81060830       4.05552408       8.92894056       1.19354354      -0.92155704      -0.23500235 
O       1.84094377       9.32078839       9.73134444      -0.79615700       0.73477800      -3.20766727 
O       1.27059846       4.21426860       1.32723494      -1.44966497       0.48084800       0.21615820 
O       3.89944405       8.90987690       5.95920749      -1.60249643      -1.04931893       0.12873590 
O       9.50385824       8.99545577       8.88112792      -0.44215860       0.57134702       2.09658345 
O       1.07205862       6.28442131       9.03274297       0.70864944       0.73209796       1.27018906 
O       0.66230804       9.02483094       4.61211220       4.25467525      -2.74395772      -3.01728640 
O       3.59397952       7.01410039       3.79279033      -1.14907192      -1.45308033       1.09538657 
O       3.92712369       8.95208509       1.00120925       3.96165761       0.90014463      -1.07815846 
O       3.85851932       9.57444543       3.25602456      -0.61967722       1.06679063       1.80243668 
O       1.13568579       3.76293633       9.31293968       0.36265953      -0.67571834      -1.19293232 
O       9.03691626       4.09436959       1.06442133      -0.77093695       0.19587919       1.24656139 
O       5.67935532       1.11209508       6.52464216       1.51398013       1.53605883       3.93740598 
O       6.32698306       3.76270398       9.05466160       2.29963435       2.30478142       2.49063652 
O       3.27889949       1.17893831       6.18415355       0.33200250      -4.60513409       1.58296776 
O       4.28435048       3.59020698       5.95946496      -1.53562023      -1.96578511       2.93473949 
O       8.92401893       3.70384626       9.03837494       2.10061767      -3.11178682       4.10447035 
O       9.02420726       6.11565028       6.48720069      -0.37313107       2.00446185       0.19279004 
O       9.48049716       3.69680418       6.70871216      -0.17504415       1.19390086      -1.97376882 
O       6.39418611       1.28650771       9.03322410      -0.11323675      -0.48977238       1.23961492 
O       5.57065662       0.77316248       2.04691158       1.39075369      -4.44190207      -3.99545554 
O       8.36067886       1.58843006       1.47785141      -0.57210357      -0.02703401       0.46832781 
O       6.85511065       8.65260242       1.72934216      -0.87576999       0.25161012      -2.09112556 
O       9.27994551       8.84033465       5.94199718      -2.12529999      -5.92170170       6.71789170 
O       1.07574409       6.11089172       6.75958616       0.16795256      -0.88359734      -4.37582783 
O       6.36645445       6.64694505       5.74654623      -3.70017602      -2.15138251       1.83784874 
O       8.93540898       6.27353709       9.20951227       0.05529465       0.88869496      -0.71654936 
O       6.63643499       3.82708702       6.40370187      -0.14119851       1.05639446       2.46370643 
O       6.49613380       9.15305403       6.43183387      -1.44392714      -1.89477447       0.26240746 
O       6.40777186       6.17259164       8.15191103      -1.55324710       1.03001337       0.85198053 
O       3.79286684       6.90694586       9.00617755       3.15719207      -1.17807342      -1.62310612 
O       6.77384825       6.47025278       0.35449072      -0.17482689      -1.08292642       0.54106880 
O       9.66935670       7.15987027       1.04678505      -0.73236773      -1.07418667      -1.80250391 
O       9.38291554       2.00699307       4.44560731       1.74881392      -3.77047803      -0.65222907 
O       8.53657182       9.87269424       4.21925260      -2.58371735      -0.11345466      -3.47271820 
O       9.12746375       9.62056244       1.73791345       2.01081930      -1.21259705      -2.75340319 
O       6.42146856       3.67428803       3.74429885      -4.50848474      -1.61023343       1.97303346 
O       5.99202949       6.13491772       3.29012920      -0.06259663      -1.25419181      -1.62948093 
O       6.21332264       8.71146506       4.12523389      -2.56349393       1.16094637      -1.66727559 
O       9.29553983       1.24398940       9.30350796      -0.02888162      -0.48829066       1.17973969 
O       8.82255760       6.31205198       3.47967857       1.37495688       2.63964377       1.18610407 
O       8.66430730       4.06795374       4.00473506       0.14387913       0.58622921      -0.41273560 
O       3.90479918       6.03903497       1.01331174       1.99377962       0.58399268      -0.70775156 
O       3.97447739       9.50937675       8.23140130       6.47428403      -3.48159523       3.54506525 
O       3.90386172       1.17752338       9.07819778       0.49077745       4.45235548      -1.68821320 
O       3.74257748       6.42944736       6.54984341      -1.46885513      -2.58277311      -1.51933602 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.054635072334467065 0.009189816883389641 0.013347629619836732 0.009189816883389641 -0.028579776059356167 0.010660691142448107 0.013347629619836732 0.010660691142448107 -0.02094625917287633" pbc="T T T" energy=-925.71061866 free_energy=-925.71110839 config_type=crystal 
Hf      10.22475795      10.26079800      10.38579813       0.75663704       0.70572093      -2.19280327 
Hf       4.91409828       2.16626446       2.54034863       2.30268144       4.49358796      -3.72043300 
Hf      10.17012889       2.20164628       7.72987502      -1.07060510       0.26549412       0.91876328 
Hf       0.18981909       0.08212921       5.16350040      -0.69924869       0.28276245       0.56997471 
Hf       7.46608418       4.65954408       7.44110659       1.36082587       0.37406483       0.57512132 
Hf       7.34500772       7.58247858       4.83801225      -0.61647388      -1.22745526       4.09065905 
Hf       7.29392095       2.59937423       9.83260064       1.06780877      -1.81050929       0.04139778 
Hf       8.07318867       0.02218384       2.31243530      -1.15652637      -2.23869122       2.33017388 
Hf       2.68704258       2.23962917       4.60831360      -1.94076635       1.23912005       6.21412520 
Hf       4.59075498       2.77488100       7.78469101       0.15108812       3.59439825      -4.81012798 
Hf       5.47914728      10.31719072       5.12349293      -1.22262410       0.64408525      -0.05257482 
Hf       2.96056154       3.14773529      10.45360644      -3.14473997      -1.52062610       2.78573663 
Hf       2.14660747      10.15410545       2.44271500       1.67588960      -0.23510786      -1.37890236 
Hf      10.41214919       2.57776781       2.50878906       2.25099292       1.01066430       1.34573107 
Hf       2.97531302       0.06282473       7.66165653      -2.71612186      -1.15104755       0.77459218 
Hf       7.63080239      10.20791051       7.25446944       3.98525758       0.89655449       3.94006084 
Hf       2.25933933       5.06816891       7.92932321      -0.22489881       0.08682359      -0.39902675 
Hf       4.78873990       5.19200185       5.00155898       0.60116602      -2.89868815       0.17862700 
Hf      10.19369605       5.08559084       5.69831212       0.51149234      -1.50052020      -1.38555143 
Hf       2.93980330       8.03317408       5.42925019      -2.90196694      -1.83682484       1.77341868 
Hf       5.51122116       5.23256172      10.45508866      -4.05202013       4.67042421      -1.35610441 
Hf       5.05415791       7.76066710       2.41507460      -1.46724180       0.64560880      -2.59383130 
Hf       5.44209494       7.69779569       7.70277928      -3.00703875      -2.21228624       3.77360315 
Hf       7.85123825       7.61478219      10.20367746       0.99163075       1.32864347      -1.07960152 
Hf       7.72105609       5.38915921       2.17544656      -1.76860490      -2.11891685       4.30571343 
Hf       1.97377670       5.21995728       2.98542996      -1.19078311      -0.59064792      -2.59690458 
Hf      10.07882815       7.78624241       2.82182117      -2.49394642       2.09854096      -3.42646162 
Hf      10.21836017       4.84640395      10.42145668       1.44373171       0.29621702      -1.74717896 
Hf       7.51348508       2.55294858       4.51338600       2.96871941       3.39975719       3.27020683 
Hf      10.36085341       7.68881287       8.01579067       0.75657599      -0.22724740       0.19080005 
Hf       5.11285100       0.07350590       0.00067088      -2.65541029      -2.37708160      -0.64418213 
Hf       2.47622254       7.62047246       0.18463863       0.67103184      -0.15477293      -1.46999981 
O       1.27329455       8.20981591       1.92457687       2.08397986       4.61677056       0.82416233 
O       1.14596360       6.09853406       1.38932421      -0.41532135      -1.19045362      -1.74990177 
O       1.49296481       1.19384270       6.47987686      -0.84909491       0.81635414      -1.16236528 
O       1.31151115       1.21949221       3.65096505      -0.99641009      -0.31018672       0.18404330 
O       4.74500657       3.93750909       1.08112151      -3.07204488      -3.68790344       1.89245568 
O       0.16649641       1.58588436       9.51266115       0.65029829      -2.48141082      -1.82349845 
O       3.71320210       3.59053028       3.66772583       0.71932103       1.60360360      -0.52440260 
O       7.17541049       4.36422884       0.60658599       1.36688728      -1.62553013      -0.63357258 
O       3.86645375       1.10114848       3.65587788      -0.83755085      -4.31811782       1.86558792 
O       0.94651404       3.67075370       4.21714963       1.30015799       1.52814278      -0.56495950 
O       1.02995980       0.75345682       1.19963166      -1.24387641      -1.58624340       1.46860965 
O       0.48558144       6.57164827       3.85056919       1.25869055      -4.31283138       2.38487523 
O       3.40489642       1.36762013       1.30682742       1.68738676       1.39851813      -1.13495902 
O       0.58082983       3.93838700       7.11658793       1.60960381       1.46023937      -2.38373462 
O       1.06630106       9.11608741       7.30688574       2.87367685       1.99100773      -1.45958105 
O       6.34455193       1.15096226       3.75252571      -0.34709939       0.82324798      -2.73096748 
O       6.18673922       9.13239291       9.57851008       1.52179231      -1.18015033      -2.77081155 
O       9.45752908       0.34228085       6.73754016       0.01439914       0.54269775      -0.37249812 
O       3.72340403       4.53973194       9.37086905      -2.62973098      -2.70250469      -2.08564748 
O       3.55764600       9.45869167       9.34397908      -0.37741983       1.72618418      -2.25359444 
O       1.64825182       3.71351462       1.44222530       1.35410249      -0.54855230       1.67907438 
O       4.40195478       9.41498199       6.74978729      -1.87664180      -2.08974710      -0.59309568 
O       0.87182452       8.57325596       9.89817107      -0.33561389       0.71830155       0.24885362 
O       1.55569157       6.61338078       8.72625851       0.39142571       0.99970754       2.06822306 
O       1.68487755       9.44727116       4.63505359       0.08930579      -1.47476226      -0.90224764 
O       3.29173440       6.23546378       4.06966559       0.47652269       1.90633441       1.80647396 
O       3.56837197       9.36795338       1.19530085      -2.42703782      -2.29074876       1.13783340 
O       3.99510752       8.97656124       4.10433948       2.78819539      -1.04766111      -1.26935455 
O       1.06239905       3.91140702       9.31554367       4.66090255       0.11667139       0.78425119 
O       9.74478619       3.25279040       0.95436872      -2.45029678       0.82829780      -2.24707576 
O       6.89928471       1.10728743       6.13421188      -0.90431183      -0.93027129      -1.18688263 
O       5.79565752       4.01433393       8.89456547       4.84398805       0.10680248      -1.38099588 
O       4.10596174       1.28344195       6.29861055      -0.03597282       0.71204625      -1.18679423 
O       3.60273377       4.03456687       6.43446716      -0.67398057       0.99739262      -1.51765051 
O       9.14278355       3.56384880       8.95021185      -4.65548898      -0.29281438      -0.37690153 
O       8.35698083       5.65093373       6.12003342       0.91132501       2.02058694      -2.38559953 
O       8.78547648       3.18545631       6.19183877       0.62784055      -0.39146030       0.56187939 
O       8.01080321       1.08512494       8.79851779       1.20004484      -0.48098228      -1.08638666 
O       5.98523724       1.76490568       0.81012606       1.50854440      -0.84669186       0.01861961 
O       8.66886009       0.80100351       0.73251332      -1.32807950       3.55848209       0.56664166 
O       5.71440056       9.46818283       1.48945329       3.82341395       0.35702496       2.30550459 
O       8.49101622       8.12067978       6.20674641       5.84093267       0.56511610       1.18586292 
O       0.72008503       6.69458332       6.26791235       0.03801019      -1.11583252       0.70880000 
O       5.77311709       6.09250815       6.42584469       1.22531361       2.58965223      -0.39777742 
O       9.59050299       5.92371221       8.73627037      -0.69658565       1.31911813       0.62095281 
O       6.39285826       3.86221577       6.05235625      -2.35219529      -2.09201607      -0.98259111 
O       6.60001251       8.81369210       6.29080643      -5.90140291       1.48497906       1.17183123 
O       7.12325930       6.69208179       8.60601119      -1.80952377      -0.80113138      -0.59707096 
O       4.22853068       6.56250636       9.30525707       2.18143317       4.32552678      -0.36721030 
O       6.57997414       6.83486410       0.99414331      -3.04553214       0.11839939       0.88656767 
O       8.88715823       6.16468024       0.87341831       2.66916229       1.91702259      -0.17588783 
O       9.17817364       1.58269992       3.66575316      -1.89537229      -3.49279807       0.62053811 
O       9.42189701       9.49006201       3.71470023       1.44714467       0.66087111       0.09898288 
O       8.99375177       9.09458377       1.07515473      -0.66640886      -2.89213567       3.07531680 
O       6.61744219       3.87293798       3.42188243      -2.77946050      -0.83835121      -0.53276312 
O       5.90129047       6.15727676       3.17752691      -0.41734594      -0.00125506       3.92060181 
O       6.77009622       9.33986063       3.96283489      -0.38110510      -1.25187468      -0.73472613 
O       8.93567723       8.86763929       9.17398120       0.99337217       1.11748730      -3.32591428 
O       7.97482324       7.41792082       3.11847347       3.89630106      -2.18121132      -3.46122337 
O       8.95645505       3.89521790       3.26412101       0.27996461       2.36960032       0.23863989 
O       3.89397085       6.30769919       1.39798614      -0.43926468       2.64741610       0.87840786 
O       3.19814972       1.85503190       8.60817340      -2.76637384      -0.65193550       3.42867095 
O       5.79053054       1.67958396       8.56341428       2.20998454      -4.11189215       3.25459489 
O       3.41030870       6.71758080       6.88717029       0.90292794       1.27637102      -1.75199041 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.06871708949605465 0.0005375334272260029 -0.019150570737126064 0.0005375334272260029 -0.02459162454906295 -0.004160550299798758 -0.019150570737126064 -0.004160550299798758 -0.03369309917469993" pbc="T T T" energy=-926.49499629 free_energy=-926.49510838 config_type=crystal 
Hf      10.16654087      10.29476616      10.36389352      -3.36327889       4.55117666      -1.21326268 
Hf       4.86195651       2.16686741       2.52555016       0.83883990       4.15873334      -1.14769545 
Hf      10.16599882       2.12864328       7.70414679      -3.06184461       1.23159593      -1.48199976 
Hf       0.26468214       0.03360634       5.22813389      -1.44175782      -3.98839151      -3.56778154 
Hf       7.43761842       4.79487016       7.55901095       2.77700738       3.63889174      -4.04676604 
Hf       7.23554048       7.50495544       4.86542773       4.56756297       1.77025733       3.13054067 
Hf       7.26728687       2.59248810       9.81761890       2.71878687      -4.81667437       2.79957737 
Hf       8.17147665      10.41670168       2.39168694      -1.39837207       0.14371812      -1.24002813 
Hf       2.73468326       2.17580858       4.71405079      -1.01367120       1.28325716       1.91817146 
Hf       4.56835249       2.79613168       7.70858300       3.34946758       0.26603811       0.50088129 
Hf       5.55000419      10.30543980       5.10983433      -2.89477751       2.47770840      -3.58036432 
Hf       2.96153950       3.19502954      10.40809333      -3.85432440      -1.63720542       5.99773027 
Hf       2.25895009      10.13940306       2.51637863       1.58542955       1.11012967      -0.08497871 
Hf      10.43915890       2.44504383       2.59215151       0.93186870       2.90311369      -2.02193473 
Hf       3.00425248       0.14314674       7.68670990      -2.66918938      -2.16496047      -1.37491128 
Hf       7.72775205      10.17942685       7.32826965       1.71226307      -1.68454662       0.21199100 
Hf       2.19904428       4.93655058       7.89487686       0.23910783       7.54623731      -2.23768957 
Hf       4.79971528       5.18732430       5.01192585       0.33927504      -2.17004213      -0.33961219 
Hf      10.21608116       5.09152528       5.73604319      -0.11790145       1.63751194      -5.62257951 
Hf       2.91361728       7.99764050       5.44528085      -4.19785495      -0.81153729      -1.19420685 
Hf       5.46564630       5.31233049      10.39616396      -3.16939960       0.63535708      -0.72276241 
Hf       5.06786602       7.81566395       2.39005557      -2.27672772       2.74345987       1.22718354 
Hf       5.26672612       7.69567127       7.68113413      -3.76193962       0.25570439       4.68877338 
Hf       7.73480878       7.60290117      10.18886339       3.06911783       0.18030726      -2.05219205 
Hf       7.72144543       5.45348656       2.30875371      -2.17059380      -2.17182867      -1.78861403 
Hf       1.85635379       5.24470293       2.94580671       1.68532343       3.08744501      -1.02069147 
Hf      10.05938090       7.78776608       2.70951288       3.36092419      -2.14591976      -1.54135403 
Hf      10.25497911       4.77536420      10.33021319       0.69231932       3.17570162      -0.32237954 
Hf       7.53737617       2.51622823       4.47437115      -2.06791702       4.27995201       3.27608671 
Hf      10.37472949       7.77190110       7.94277626       1.97197942      -1.83337139      -2.04352022 
Hf       5.22652618       0.04159990      10.33484752      -0.41789403      -1.81921476       1.71587448 
Hf       2.44374069       7.69175188       0.20384306       1.32800070      -1.59893296       0.12397492 
O       1.60717565       8.41157054       2.15111160      -1.15217363      -1.13130106      -0.49037534 
O       1.15746700       6.14991118       1.30400950      -0.59245750       0.56445081      -1.63572548 
O       1.45828809       1.07222545       6.22038031       2.59213473       3.84898111       2.26646227 
O       1.41950328       1.26314119       3.54921705      -1.69179033       1.00518345       1.87354732 
O       4.50887465       3.75346473       0.83356030       3.94844287       4.91076795       1.68251745 
O       0.56545707       1.56355996       9.19052104       0.68562824      -3.05998798       0.93244269 
O       3.66818289       3.57489346       3.80897568      -0.38632618      -0.37122358      -0.52148485 
O       7.24294354       4.20078154       0.62792249      -1.58815211       2.47950146       0.77383356 
O       3.82236143       0.68091548       3.98078421      -0.95213111       3.40871064      -0.45671451 
O       1.04045876       4.11176462       4.20725310      -1.33399299      -5.63328244       2.93169385 
O       0.77841567       0.78623288       1.30697007      -0.67943358      -0.80862985       1.29316045 
O       0.04859216       6.07790477       3.80773805       1.48892671       2.56331598      -1.40675932 
O       3.62248453       1.72593300       1.21094018      -3.65478807      -3.89244374       0.36844843 
O       0.69347283       4.11804246       7.11390021      -1.86163254      -4.16610088       0.31448160 
O       1.57810714       8.89832902       7.10541872      -1.00750200       2.47837512       0.21027275 
O       6.14228435       1.25142511       3.64443812       3.03050704      -1.59001594       0.29405143 
O       6.23109812       8.66061492       9.43421290      -0.32011464       3.57359532      -0.88212057 
O       9.43207832       0.46081224       6.59182972       0.65486531       0.23120659       0.17869448 
O       3.54043047       4.57219568       9.12842602       6.65903920      -0.58610781       0.04630209 
O       3.58041794       9.48235585       8.95730815       1.64033901      -0.25499534       3.51416497 
O       1.76953278       3.73358712       1.73188722       0.11571357      -2.13473224      -0.49170162 
O       4.08255063       8.98810620       6.56603190      -0.44531468       3.06816784       0.96158097 
O       0.92488899       8.95973076      10.24614302       1.27661002      -1.18885848      -1.27377323 
O       1.57074731       6.79149018       9.17229405      -1.18555446      -1.92206776      -2.37364112 
O       1.57049779       9.24682930       4.42008851      -0.07848814       0.29678344       0.17681843 
O       3.39464436       6.25247721       4.15215693      -1.19970688       0.86666768      -0.75679042 
O       3.67996982       9.60301669       1.20636781       1.63188377      -1.63381149      -0.60808754 
O       4.16834982       9.02592989       4.07914347       1.60314526      -3.54069409      -1.79485646 
O       1.44967305       3.85864052       9.42797986      -4.98194884       1.92638411      -0.13135030 
O       9.88544584       3.32633555       0.98950364      -0.45778104      -0.30495062      -0.12339913 
O       6.93257016       1.09897089       6.08518223       0.92334569      -0.35516995      -1.14181467 
O       6.25015864       3.99722515       8.81083912      -4.69190325      -1.10536772       0.29873996 
O       4.61551330       0.97347696       6.73475312      -2.53911966       2.24187114      -0.84509505 
O       3.45193341       3.93687986       6.44010311      -0.56787369      -1.83630131       0.17472543 
O       8.78553185       3.84977000       9.05860516       0.63496344      -1.65014805      -2.40421199 
O       8.47532613       5.92983923       5.91852495      -2.52914552      -0.90623236       0.27954188 
O       8.84913076       3.22941404       5.94130442       0.11819052       0.14190294       1.15431449 
O       8.42605357       0.98817224       8.63515359       0.36089939       2.12451372       0.26652457 
O       5.80635073       1.81605117       0.50852304       1.56843783      -0.13300796       3.82688611 
O       8.51528127       1.25969163       0.55484634       0.12209019      -1.27354424       2.74981223 
O       6.54935464       9.81144049       1.61896373      -4.90476093      -0.34902493      -3.40360343 
O       8.69854935       8.23054987       6.34440761       0.00284453       2.30200780       0.04111894 
O       0.83349928       6.70644351       6.10645070      -1.04366916      -0.71365087       2.25206706 
O       5.70391636       6.21721973       6.60646346       1.35670009      -0.35369068      -4.03644630 
O       9.34561903       6.21987762       8.87046255       0.82032767       0.21790559      -0.09963507 
O       6.05386097       4.02284128       6.14391143       1.18466599      -3.34368520       1.91288403 
O       6.20631133       8.93274429       6.15862020       4.10852227      -2.96200905       2.81242124 
O       6.84956649       6.52023579       8.52608846       0.54914408      -0.93171267       2.63991732 
O       4.24923963       7.02088626       9.47487471       1.02983189      -1.02927921      -0.12342573 
O       6.20207388       6.99107758       1.05336515       3.11616593      -2.13697382      -1.69802354 
O       9.10950417       6.37911269       1.03000784      -0.95051832      -0.79946068      -0.82729703 
O       8.97732863       1.48669744       3.73517683       1.79165922      -0.79844028      -1.24207336 
O       9.49681061       9.50070383       3.65583110       1.59587918      -0.37614889      -0.41607014 
O       8.76108615       8.99866544       0.97932390       2.33992829       0.17740174       0.84808926 
O       5.95862776       3.77637577       3.62992746       2.20457346       0.38579076      -0.76583401 
O       6.07698050       6.46730131       3.63184414      -1.67103119      -1.18185100       0.38624554 
O       7.05438877       9.23122116       3.72150619      -1.26295989      -1.33377361       3.08496074 
O       8.91188766       8.73775396       8.76572519      -0.73456911       2.58134300       1.68234470 
O       8.42024765       6.97543626       3.16829928      -2.72829178       2.68288276       3.83433471 
O       8.80635822       4.21063473       3.07992258       0.92221373      -3.65926448       2.43047006 
O       3.80285023       6.62436590       1.50959749       0.01425751       0.04653363       0.49847250 
O       3.25805574       1.86275973       9.10278571       1.36595917      -2.39912702      -5.24320555 
O       5.80830623       1.30338121       8.87736040       0.77076929      -0.07080288      -3.13794461 
O       3.24966101       6.61410180       6.69813513       1.65295339      -2.35485226       2.38094814 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0302170259829571 -0.002834402138343823 0.012120808884543175 -0.002834402138343823 -0.01585951046852275 -0.009531165666601145 0.012120808884543175 -0.009531165666601145 -0.02204202176060114" pbc="T T T" energy=-927.10056671 free_energy=-927.10115916 config_type=crystal 
Hf      10.44868356       0.15911712      10.37092576      -1.95052935      -0.20231231       2.22195936 
Hf       5.29953954       2.48997502       2.13670267      -4.37671505      -0.36423874       4.35348372 
Hf       0.10066402       2.53230954       7.55899033      -4.75931963       2.67414741       2.04952960 
Hf      10.25387136       9.87410676       5.08235019       4.84176615       2.90350176      -4.68158139 
Hf       7.48942579       5.30888523       7.74993642      -0.88921216      -2.61924907      -0.11398533 
Hf       7.39549845       7.31327965       5.25941757       1.43753795       3.82959497      -3.16377092 
Hf       7.78845413       2.53114769       0.34571784       1.01017964      -2.44369544      -4.37287701 
Hf       8.04526359       9.99080405       2.62672901       0.09449433       0.45172994      -1.56526869 
Hf       2.33624266       2.65080221       5.26695565       1.63260565      -1.73369318      -3.03501012 
Hf       5.30220821       2.45688812       7.58833881      -1.55671429       1.51641337       2.89264085 
Hf       5.54299905      10.30693154       4.90508186      -6.28738180       1.30686878      -1.58228325 
Hf       2.38648942       2.55809230      10.44531920       1.12442408       3.28680800       4.50099600 
Hf       2.49305763      10.36240345       2.52395710      -0.27650146       0.58033443       3.72430378 
Hf       0.03723633       2.72444585       2.42918367       1.29168992      -1.49640104       1.49472327 
Hf       2.42317324       0.32535104       7.83378387       2.18799068      -5.44940561      -3.47834148 
Hf       7.78627528      10.39437591       7.46021191      -0.60637714      -0.83116322       3.85026382 
Hf       1.96072524       5.22048080       7.89906271       0.41234720      -0.65036345      -0.23269396 
Hf       5.12151220       4.83736366       4.99587227      -2.87311911      -1.13636391      -1.03429036 
Hf      10.08694144       4.99483936       4.72753586       2.34642495       0.55894684       1.89993013 
Hf       2.70222569       7.62252666       5.20628068      -1.82080038       1.87262866      -1.37828939 
Hf       4.98143488       5.15703626      10.32567661      -0.55434035      -1.20286876      -0.82031961 
Hf       5.26121650       7.96439022       2.39279929      -4.81737564      -1.62566041      -2.09226244 
Hf       4.78965778       7.89696131       8.10171398      -1.27341052       2.06168095      -1.46838676 
Hf       7.85961885       7.85605416      10.15749619      -0.19698478       0.97699684      -0.51502300 
Hf       7.31777101       5.24512242       2.44406388       0.05610576      -1.74797219      -0.35329228 
Hf       2.69915019       5.16624317       2.39683160      -2.77093964      -0.99694901       2.18244789 
Hf      10.09420121       7.32573788       2.11197345       2.10830711       1.80940408       2.62472061 
Hf       9.69713577       5.06990703       9.95907043       4.98867285       1.43041173       0.62350907 
Hf       7.61600705       2.36560862       5.19357366       3.37303651       1.15201415      -2.40653285 
Hf       0.04126561       7.82091672       7.99182506       3.36736415       2.43771518      -4.48426398 
Hf       5.29158847       0.10146060      10.14210124       1.18702075      -3.99424660       1.81630257 
Hf       2.40291550       7.94202437       0.32190169       2.14298214       4.54494123      -2.15423993 
O       1.04446857       9.44167959       1.53757207       0.64828298      -2.03420216       0.10337841 
O       1.13404919       6.79908351       0.90548999      -5.40212460      -2.28110410       1.31584395 
O       1.07800604       1.34129010       6.50095161       2.06818821      -1.62730704      -0.67394538 
O       1.28307626       1.27866131       3.79938937      -0.36505971      -1.06489355      -0.90956184 
O       4.07335126       4.10649866       1.43963408       1.59402396      -0.92057391      -2.15443237 
O       1.64422108       1.39125648       9.17500940      -1.80655993      -0.83173674      -1.06631553 
O       3.47449948       3.30307390       3.60883127       1.72510043      -0.33111960       1.00265756 
O       6.42136526       3.94876957       0.96413054       1.69052574      -4.23704038       1.57529068 
O       3.91373700       0.50379253       3.79212196       0.07745469      -0.72594279       1.55471604 
O       0.80162834       3.42705651       4.36349704      -0.25986142       1.89296828      -4.09649502 
O       0.89789404       1.39183034       1.17533814       1.05839673       1.59494627      -1.49745139 
O       1.23963473       6.35252969       3.31893145      -3.21541391      -1.56325449       0.36106513 
O       3.23976804       1.52750976       1.62021863       2.92363639       2.03221359      -3.11028079 
O       1.23873035       3.90499134       6.39974554       1.63782642       1.23276794       4.48009170 
O       1.19622135       9.31188374       6.65307803       1.09087049      -0.26508209       2.14182673 
O       6.14705704       1.26650659       3.69992949       2.07065310       2.14151757       0.43412782 
O       6.27779401       9.39363481       8.81531091       1.12629529      -1.73123410      -0.48952702 
O       8.58681084       0.96694197       6.21267488       4.14742728       0.64602665       0.25395358 
O       2.91404075       4.33546479       9.56714138       3.29932256       1.12305111      -2.33191696 
O       3.84049579       9.51563627       8.98392432      -1.34432132      -0.60584683      -0.89919199 
O       1.38513689       4.11938161       0.98008940      -0.78709210      -1.28215554       4.02964780 
O       4.17397195       8.99124553       5.97152118      -0.37700212      -1.56012742       2.52816320 
O       1.01717021       9.16190603       9.71859347       2.57899943      -1.77956618      -3.83933277 
O       0.85340202       6.40086825       9.11095699       0.24744579      -0.10992024      -0.91969792 
O       1.48037565       8.76374572       4.03063587      -1.67668224       1.73778810       1.83260213 
O       3.34531245       5.47410445       4.41558606       1.33361505       2.37432852       1.42055410 
O       3.87016328       9.30752813       1.24036318       1.19867265       0.06803182      -0.63284397 
O       3.79322729       8.34560177       3.75998287       2.47968869      -1.13374769      -2.77790491 
O       0.68028081       3.87798164       9.20465899      -1.00270195      -1.11441863      -3.02767152 
O       9.07097066       3.99724168       0.99352413       0.27947742      -2.84136411       2.11014405 
O       6.33327858       1.44305213       6.37457182      -0.95496292      -5.08998977      -2.01961734 
O       5.97019574       3.63260461       9.09709513      -1.88331250       3.60390960       0.60595488 
O       3.92487377       1.12465662       6.87132080      -2.21300955       0.10470147      -0.52434320 
O       3.92186725       3.72446038       6.43011793       1.69353264       0.68141373       0.12424792 
O       8.52236521       4.07515218       8.97597011      -2.01903333      -1.07971706      -1.20645294 
O       8.45542675       5.76280537       5.54537090      -3.10142165      -0.27918336       4.61279077 
O       9.31081012       3.31222460       6.19611380      -0.12835173       0.89712734       0.06514914 
O       9.52665990       1.50761152       9.12617704       1.35951117      -0.55567675      -0.17314219 
O       6.43556025       1.00587016       1.40458759      -0.40629470       0.85286469      -3.21040083 
O       9.02511510       1.06565467       1.50625280      -1.17829490       1.86996365      -1.34414612 
O       6.56881036       8.67278063       0.82644360      -0.62448600       1.13880564       1.29249268 
O       9.32506383       8.86941457       6.20521468      -5.10601333      -4.24506721       4.51135915 
O       0.52286309       6.39016834       6.07842881       0.54411958      -0.04402444       1.10356670 
O       6.20891982       6.66869025       6.60564218      -1.93783188      -1.23479179       1.25172839 
O       8.97538882       6.59454298       8.08393128      -1.83717382      -1.19250102       1.76151325 
O       6.85295807       3.48321646       6.78562597      -0.06969222       4.98207984      -1.84905161 
O       6.64851738       9.45887388       6.13716879       3.66529775      -4.14003214       2.55352010 
O       6.53043646       6.32232853       9.38086228       0.95902831       1.01097705      -2.46413294 
O       4.07353275       7.02364986       9.72012729      -0.00382860      -0.69662144      -1.27623314 
O       6.06632894       6.08604757       1.28692971      -2.01772585       3.68677882       0.84013165 
O       8.50933804       6.25485534       0.88502868       1.93119235       2.88376101      -1.07018473 
O       8.62882991       0.60941459       4.00660014       1.06502797       0.57426750       1.04120958 
O       9.29144807       8.70284803       3.64846562      -0.38434650      -0.94761193      -0.71812909 
O       9.21671647       9.00944636       1.15586211      -1.70444633      -1.67135485      -1.88282475 
O       6.56888949       3.84239101       3.75703863      -2.44654657       0.15645730       0.77334212 
O       5.77586907       6.37875715       3.68128249       2.28126336      -1.16640088       2.33277355 
O       6.48280280       8.76118590       3.63976213       2.30040269       2.01712184       1.18076037 
O       9.30305875       8.98419330       8.93108069      -4.54424736       1.64128375       1.05669229 
O       8.72026902       6.13426766       3.47115751       1.86554816       1.47997923      -2.20599265 
O       9.00220260       3.27025368       3.62580724      -1.04201685       1.07022015      -0.75530826 
O       3.37075013       6.72541653       1.51365188       3.32502193      -0.50981668       1.82393541 
O       4.44716656       1.49433117       9.36096310      -2.46044127       3.52746010      -0.37569278 
O       7.21861538       1.53632596       8.92265477      -1.97113154      -2.00107104       1.02628000 
O       2.92850252       6.95749259       7.22297089       1.40351395      -1.05186254       1.09633179 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.021925992155883044 -0.0017028745424070041 0.012297450258737418 -0.0017028745424070041 -0.01230993515568343 -0.009097216268654718 0.012297450258737418 -0.009097216268654718 -0.014894960618064713" pbc="T T T" energy=-929.78658903 free_energy=-929.79000968 config_type=crystal 
Hf       0.00254287       0.08877766      10.37032982      -2.62622422       2.77665954       2.92926616 
Hf       5.29909483       2.40617320       2.11448691      -4.28295015       0.16842772       5.75761010 
Hf       0.06487171       2.51906488       7.56075494      -2.02444961       0.29488787       0.76078697 
Hf      10.19506618       9.93185172       5.06451882       3.88445828       0.72553424      -3.32066005 
Hf       7.41393466       5.29315704       7.77291412      -1.42154831      -2.40227255      -0.73812666 
Hf       7.42259565       7.32577692       5.18896571      -0.86652061       4.59153821      -1.54908187 
Hf       7.84793312       2.52753633       0.34277569       1.95441648      -3.82024243      -4.25013716 
Hf       8.03962545       9.98099743       2.54965392      -1.44508104      -0.13210589      -0.35463059 
Hf       2.34214978       2.64355960       5.21170562       2.11921002      -0.87745553      -2.92604619 
Hf       5.32092837       2.37747447       7.62581461      -2.13358951       1.19718295       0.55226677 
Hf       5.49234516      10.29857690       4.95103371      -3.52951558       0.15263142      -3.10789104 
Hf       2.36427753       2.52049498      10.39708268       1.72518887       1.77727874       1.73380944 
Hf       2.47506885      10.35419041       2.52667538       2.60267451       3.64742425       5.02965385 
Hf       0.05486267       2.77103237       2.39995806       1.98088801      -2.52604843       1.18683780 
Hf       2.42859819       0.29381700       7.79805561       2.49330359      -4.99467797      -4.10867891 
Hf       7.72372550      10.45970478       7.48992932      -1.72974971      -4.22123192       3.36230744 
Hf       1.96194006       5.18709613       7.95624898       2.01053920       0.13355840       0.68763078 
Hf       5.15454499       4.83166586       5.05578384      -2.44153962      -0.96186207      -0.61868125 
Hf      10.09519320       5.09610571       4.72527118       1.53573409      -0.81237253       2.48850040 
Hf       2.70987470       7.65616764       5.16190859      -0.49367726       3.01999810      -2.18664567 
Hf       4.93467965       5.15798335      10.27290331       0.27129059      -2.22349431       0.64232060 
Hf       5.22179179       7.95436402       2.38043389      -1.97063450      -1.69897783      -0.28125827 
Hf       4.81302765       7.86638891       8.05760125      -0.21689068       1.25939101      -2.12922977 
Hf       7.84351900       7.87780010      10.15490015      -1.78427592       1.90804402       0.20607168 
Hf       7.33531016       5.25539866       2.42358572       2.97054437      -3.75432243       2.66771659 
Hf       2.72962934       5.14685809       2.39282294      -0.76150893      -2.67179895       3.27137291 
Hf      10.08705772       7.30223927       2.15317857       2.08377292       2.81204806       3.21858309 
Hf       9.65937027       5.06478582      10.00793063       3.88876430      -0.03613816      -2.16357270 
Hf       7.66101087       2.32068413       5.27555258       1.65332785       1.84344771      -4.02414129 
Hf       0.03166674       7.80875594       7.97496150      -0.02393463       2.51183809      -4.37516888 
Hf       5.25021977       0.17033971      10.20128227      -0.84385596      -2.09984266       1.42109159 
Hf       2.45190223       7.99557751       0.30809897       0.91413727       1.99966508       0.10134736 
O       1.13148152       9.44929291       1.62874910      -2.36483224      -3.55587853      -2.58900429 
O       1.00112018       6.98593553       0.86695648      -0.90769876      -1.63459262      -0.38963423 
O       1.30188340       1.36255209       6.49852230      -1.59866673       1.53460090      -0.32420335 
O       1.23262970       1.16096700       3.75010529      -1.05540853       0.46883601      -0.40679908 
O       4.17259816       3.91692281       1.39617789       0.50343838       2.61394299      -2.66827633 
O       1.55465437       1.27518789       9.08649099      -1.22355602       1.15013864       0.98231786 
O       3.45550510       3.38140357       3.51870044       0.89549806      -1.26454128       1.30778938 
O       6.61479456       3.79444943       1.06388274      -1.20493768      -0.52459015       1.05056981 
O       3.90306807       0.63313864       3.87375256      -0.79929179      -0.47938046       0.45223166 
O       0.77921895       3.48430620       4.26969184       1.78802010       1.77894824      -1.85997051 
O       1.14070632       1.32901398       1.05232638      -3.49649740       1.23492823       0.16306875 
O       1.25693201       6.41584287       3.15020238      -2.11541565      -1.90687585       1.70519254 
O       3.25302673       1.53497729       1.41831422       4.21320526      -0.10099238      -0.11749501 
O       1.51693984       4.01518693       6.51295738      -0.98533806      -0.95699039       1.22609974 
O       1.22423874       9.48010928       6.45444557       0.99857002      -1.81490061       3.22283016 
O       6.08688654       1.45758717       3.86256032       2.11678598       2.18552028      -1.45643198 
O       6.40563519       9.48179674       9.08400265       1.05079045      -2.10096181      -1.76817619 
O       8.71263989       0.98682566       6.35416399       3.79287768       1.97303172      -1.14178667 
O       3.06982563       4.29241909       9.56822024       1.54599273       2.71762283      -2.09887163 
O       3.89073585       9.51776447       8.73083099      -0.55702845       0.24458808       1.07504226 
O       1.49822973       4.06690754       1.19108632      -2.08023011      -1.03744771       1.20115323 
O       4.28112899       9.19666512       5.87322661      -3.64781683      -4.23582155       3.82548758 
O       1.07934142       9.28779683       9.65312551       4.27629853      -4.30820138      -3.90210820 
O       0.94055877       6.61205178       9.17655662       0.85976499      -2.30843967      -1.54225261 
O       1.42113319       8.84312965       4.04721580      -0.49310471       0.34025373       1.55012391 
O       3.34418241       5.37205995       4.50489268       0.57379094       3.70361514       1.07606053 
O       4.01835724       9.47396698       1.40751771      -0.31193050      -0.50723273      -3.09892572 
O       3.92769682       8.42113937       3.67386217      -2.84067324      -1.00717891       1.54096763 
O       0.76426474       3.66235196       9.10583064      -1.00986894       2.54399404      -0.54166544 
O       9.04847157       4.04295585       1.04395332       1.11594193      -2.06260406       1.29508810 
O       6.19377753       1.21707484       6.12585796       2.39257878       0.57633912       4.74075540 
O       5.90627939       3.72808451       9.03864413      -0.99584976       2.68625137       1.06120567 
O       3.85151670       1.18714559       6.82688833      -0.53651439       0.50665637       0.40276524 
O       3.98591296       3.65136214       6.54728181       1.94502144       0.91316396      -0.76829521 
O       8.59750604       3.99879497       8.80023560       0.01887737      -0.77235286       1.82721535 
O       8.39687746       5.78678584       5.73018181      -0.98498258      -1.24514614       2.16198021 
O       9.48461833       3.33989546       6.07758084      -0.93316669       0.73829167       0.71129979 
O       9.56636019       1.55392142       9.28432802       1.40500975      -0.30655115      -0.55535520 
O       6.43346607       0.96916614       1.38845426       0.01356210      -0.49028662      -2.91422950 
O       8.89875248       1.25415773       1.57072899       1.00187472       0.15688573      -1.27952236 
O       6.31150543       8.65261634       0.91172199       3.94015770       0.88356605      -1.58697703 
O       9.27086576       8.88498304       6.23103710      -2.42159323      -2.81834109       3.86117290 
O       0.49781308       6.42698414       6.09045876       0.80219962       0.55543045       1.41069343 
O       6.14497940       6.63011215       6.78374017      -0.72437735      -0.39300786      -1.57076438 
O       8.98005214       6.34046719       8.33777640       1.23809329       2.91260153       1.81102623 
O       6.73785184       3.61024421       6.79779680       0.53572693       0.24966215      -3.51312497 
O       6.78758252       9.11423940       6.09130234       1.60774121      -0.13313867       2.76551672 
O       6.46097888       6.24689412       9.30489201       1.34861370       1.98829914       0.18926397 
O       4.20250312       7.12932969       9.74798790      -1.46693316      -1.14555212       0.56476782 
O       6.09682849       6.10972400       1.49798283      -4.00396741       2.83756916      -4.14380043 
O       8.66880965       6.36002171       0.95078341      -0.20030969       1.29506684      -2.15759261 
O       8.50036087       0.66060467       3.91560616       1.44101504      -0.40984037       2.51536096 
O       9.18181829       8.43636173       3.83741391      -0.87268775       2.31904868      -2.06053748 
O       9.15608630       8.91684414       0.98889692      -1.18282013       0.38891224       0.37666643 
O       6.45488180       3.91367410       3.73292932      -0.71835007       0.48403243       0.99908916 
O       5.80517967       6.45315697       3.74155137       2.73094505      -1.33850966       3.63132497 
O       6.35887022       8.90563243       3.76079222       3.42274840       0.64325084      -2.37352797 
O       9.25529070       9.06657412       8.91927732      -2.98895425      -0.19928474       0.08810852 
O       8.95464753       6.16801613       3.44687028      -1.24140486      -1.39542917      -1.11800154 
O       9.10561273       3.23528223       3.60936473      -2.99181082       1.25666365      -0.16537330 
O       3.46860177       6.78237642       1.72750837       1.15492693       0.74326300      -1.74648427 
O       4.30889822       1.73607485       9.45219132       0.11035867      -0.50225338      -0.18418666 
O       7.37567317       1.42592043       9.03971063      -3.74596404      -0.86230460      -0.63637750 
O       3.11302278       6.91120571       7.23300253       0.40088175      -0.42105641       0.11368303 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01804648373009139 -0.0017588085442121564 -0.0025103893526992604 -0.0017588085442121564 -0.03926272107165678 0.0077100994544733285 -0.0025103893526992604 0.0077100994544733285 -0.047916055354538356" pbc="T T T" energy=-921.69648654 free_energy=-921.6975301 config_type=crystal 
Hf       0.07655115       0.12219173      10.45770668      -0.53094784      -0.99715802       4.80685375 
Hf       5.41945467       2.63810169       2.31928396      -0.75927387      -4.35192841       4.73516906 
Hf      10.33819900       2.50422632       7.41429229      -2.30509058       3.10076719       2.55981416 
Hf       0.06448540      10.39353056       5.19379785      -2.07316775       2.13291894      -3.42124903 
Hf       7.94281540       5.12519086       7.43133660      -0.97049623      -2.17890537       1.24228900 
Hf       7.56075766       7.81465019       5.13927491      -1.82067550      -6.56527599      -1.29871474 
Hf       7.59238861       2.68348145      10.33489587       2.57205004       0.89684065       0.11025645 
Hf       7.17474714       9.97388827       2.86969755       2.41660946       1.50388521      -2.02114945 
Hf       2.44470745       2.40498048       5.27430512       3.21443989      -0.22371072      -2.72193694 
Hf       5.31311996       2.47801278       7.63030294      -0.20259894      -0.13630985       1.93983891 
Hf       5.20349730      10.34568568       5.50709946      -2.83160054       4.35667862       0.43870473 
Hf       2.22277524       2.70019974      10.20284874       1.11457582      -0.16955716      -2.21618086 
Hf       2.85737904       0.02186295       2.39336854      -1.29245636       1.10696044       1.80488833 
Hf      10.18385343       1.83354689       2.48961687      -4.58690957       0.20832126       1.77948977 
Hf       2.76065544       0.31911632       7.84756137      -1.16209715      -1.96636364       2.20955880 
Hf       8.10593971      10.09544073       7.85265369      -2.51190407       3.24232027      -0.54061672 
Hf       2.29208911       5.25974140       7.73893278      -2.82670344      -1.43320039      -0.10959761 
Hf       4.97374087       4.99352627       5.35864981       0.71345388       0.79701219      -1.38659464 
Hf      10.32769805       4.96186665       4.79473305      -2.30268619       0.69687622       2.75001222 
Hf       2.39501289       8.00269368       5.16453446       0.11913682       1.83255619      -0.16932665 
Hf       5.30325483       5.23698212      10.26172646      -2.36368794       2.92145236      -3.42393065 
Hf       4.37508522       7.42573300       2.60688478       0.28032892       2.22864005       2.05106139 
Hf       4.98152458       7.65555286       7.82326450       1.63504701       0.70030923       1.72636279 
Hf       7.88888726       7.36594012      10.13407702       1.87315763       0.83394292      -1.57164558 
Hf       7.55629979       5.68492669       2.60193008       1.25903211      -4.48324199       2.41019923 
Hf       2.37455911       5.03255777       2.74698585      -3.27996712      -2.52397449      -0.98267136 
Hf      10.12397619       7.64844892       2.03467701       2.85371551       1.67304429       1.12174339 
Hf       0.11262175       5.07666202       0.05669991      -1.79642983       1.44391872      -2.11951723 
Hf       7.50758496       2.64068830       5.02386915       3.24893026      -1.69236294      -1.34545768 
Hf       0.01477911       7.84858580       7.33365043       1.10129400      -1.37463422       2.61954920 
Hf       5.42982730      10.19354492      10.25269224      -1.82541525       1.26776700      -0.47612063 
Hf       2.28945017       8.21808159      10.38491980      -0.69376196      -0.27266904      -0.96772460 
O       1.36429617       9.03353076       1.77721142       1.45830964       1.01664696      -2.97315875 
O       0.13013213       6.08380634       3.22412379       1.07827939       0.46237553      -0.87037470 
O       3.89850041       1.46605767       6.72811566      -2.31179790      -3.50407133      -2.30275823 
O       1.50028707       0.80574993       4.00844764      -1.06497346       1.46507114      -0.07472240 
O       1.70778074       4.13738170       0.95939647      -0.70142450      -0.24001254       0.41004504 
O       1.04946838       1.49566760       9.26185018       2.70208900      -2.19612955      -1.23180514 
O       3.60200249       3.50116013       3.47632729       0.67225981       1.75930045       0.06007937 
O       5.49373664       3.71901241       0.87968694      -0.22429142       0.06688546      -2.55922269 
O       3.92526709       1.23039684       4.30818830      -0.93330985      -0.77586535       0.73304034 
O       1.00848985       3.92783770       3.77312455       3.22560679      -4.52585576      -1.39574403 
O       1.25986778       1.31970263       1.49041179       5.35979905      -0.00371548      -2.71553627 
O       3.93675521       5.73022242       1.91449122       2.33429500      -1.38538053      -3.53139289 
O       4.45848712       0.93761107       1.60692006      -2.15515644      -0.04206902      -1.14610860 
O       9.06580046       0.44388996       3.85054292      -1.32831982      -0.46799195       2.04714411 
O       0.96869401       9.23867194       6.32637549       0.28886217      -1.98638339       2.77429931 
O       6.18718466       0.97408725       3.76274909       2.28741130       0.56758366       0.54222399 
O       6.00929223       8.20183187       9.64045952       0.54295149       0.59699047      -2.18595669 
O       1.34407527       1.39756948       6.59886332      -0.03505209      -1.44758406      -0.49335213 
O       3.54447304       6.88870705       9.99650677       2.30721880      -3.46523445      -3.35053497 
O       1.14588709       9.15164633       8.60494835       1.64336230      -0.68932670       3.11424583 
O       9.55785483       2.06066939       0.43836245       0.15287982       0.92063404      -0.17243859 
O       3.29286130       9.28151994       6.56022149       3.25353401      -0.67415631      -0.89302574 
O       8.68560999       8.19758176       8.33241614      -1.12165546       1.88767860      -0.26966076 
O       1.08829630       6.60142315       0.86626194       0.40772304       0.19858203       0.46050210 
O       0.99242476       8.62791716       4.16418940      -2.99571427       1.06030463      -2.01708848 
O       2.50904622       6.65047310       3.70182346       3.58440918       1.39859146       0.49905879 
O       4.09713633       8.56082421       1.14285472      -2.97814912       1.95327129      -1.66895994 
O       3.62894364       9.19080300       3.52098332       0.19608118      -2.57268955       3.06188843 
O       0.77694758       3.65333952       8.95400125       0.47931693       3.21856446       1.38828204 
O       8.09442260       3.83502092       1.49394602      -0.30165767      -0.09249177      -1.27536712 
O       6.51591890       1.26768655       6.72925250       0.96826174      -0.75812902      -5.21580468 
O       6.37232253       3.66823250       8.73994359      -1.27767997       1.88852778       3.59265631 
O       4.10062817       3.56479588       6.36358535      -2.68945379       1.84027688      -1.21715670 
O       1.10315904       3.95274348       6.28567621       1.86465637      -0.24587286       1.72729337 
O       8.45243122       2.95938995       8.47946196       2.81230235       0.62145298      -0.35401200 
O       9.13217009       3.69290071       6.12980937      -1.30723789       1.42548411       2.10605330 
O       6.33081233       3.79111375       6.07378454       1.87910385       1.49495977       1.68965886 
O       6.49284993       0.64831589       8.86767624       2.75254878      -0.78477179       1.05738543 
O       6.71064684       1.22791154       0.82902393      -0.14273140       0.41541758       1.97109414 
O       9.61274063       0.07577822       8.92419926      -3.95735477       0.51084532      -3.21737467 
O       6.26230571       9.25301399       1.22567146       4.21878881      -1.00005126       4.93770738 
O       8.94428139       8.92792931       5.41224168       2.05585175       3.32334572       3.21722833 
O       0.91341092       6.38407890       8.94745527       0.70477618      -0.40513854      -2.38874153 
O       8.76945817       5.74291478       9.18050017      -0.05368094      -0.59245014       0.15209932 
O       8.89696391       6.07768623       1.26026916       4.82384832       2.64134170      -2.40234356 
O       8.98556218       6.64921391       6.64501225      -0.00404101      -1.62544555      -1.42006875 
O       5.95023670       9.38472933       7.19916876       0.38851498      -2.84050742      -1.32938662 
O       6.08230005       6.03381265       8.49900068      -0.02414103       0.31550911       0.72195762 
O       3.68229405       6.00960423       6.48126803       2.32193986       1.86699683       1.44987454 
O       6.79642039       6.08545937       0.75293435      -4.27215859       0.34644646      -0.83969960 
O       8.46023879       5.45406482       4.42959915      -2.52837248       1.06550864      -0.09515457 
O       9.44551587       0.16799674       1.79473424      -0.80713791      -2.40445705      -2.33952743 
O       8.55732525       7.69284728       3.27621637      -3.34402190       1.85509304      -0.01445761 
O       9.66863066       8.57729686       0.18307069      -1.72299425      -1.69067726       1.06856931 
O       6.65185003       3.78215269       3.46504724      -1.63436467      -0.38677533       1.31428294 
O       5.99623450       6.58341992       3.45633256      -0.70512309      -0.10026370       0.91224346 
O       5.89413598       8.92839621       4.39292967       3.62403598      -0.70496079      -1.02678981 
O       9.13240317       1.17787818       6.71966264      -0.56897637      -3.71652233      -2.24013236 
O       1.59698607       6.46511513       6.08077544      -4.80114151       0.66832235       1.85038429 
O       9.16660546       2.84073381       3.96194620       0.27914066       0.85124516      -0.55618490 
O       3.72368358       9.52200778       9.19788380      -0.94439104      -1.92156196       0.19157203 
O       4.08588757       1.33079491       9.04164594      -1.15402950       2.35795755       2.12459714 
O       3.35931999       4.07022658       8.92234455       0.67608799      -0.21707849       1.70093056 
O       6.14388139       6.53671545       6.22134760       0.52715010       0.86297269      -0.65007977 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0032017644206033848 -0.0056407103578177496 -0.003489673259124367 -0.0056407103578177496 -0.0170014659035524 -0.0008570588986090391 -0.003489673259124367 -0.0008570588986090391 -0.045295129418230995" pbc="T T T" energy=-924.83094794 free_energy=-924.83130217 config_type=crystal 
Hf       0.16502309       0.15012696      10.24853486      -5.25793273      -1.95015882       4.33547414 
Hf       5.45412228       2.47152782       2.26184849       1.41639048       1.33272249       1.51197941 
Hf      10.46131710       2.53704362       7.50302055      -5.11642377       0.66007906       0.39198318 
Hf       0.00959803      10.36434284       5.16683639      -2.54468427       1.94391815       1.82864462 
Hf       7.88792217       5.06825473       7.34484497      -0.90564854      -0.08338343      -1.67305245 
Hf       7.60756711       7.68586119       5.09066705       0.71381258      -3.20750013       1.38529354 
Hf       7.58435726       2.59152019      10.28021615       3.41061025       0.10255442       0.23724423 
Hf       7.26600790      10.12037394       2.92553138       0.02352175       2.67231684       0.56349290 
Hf       2.40677574       2.45122936       5.27754388       1.19102919      -0.26342206      -1.64422415 
Hf       5.35549520       2.39411834       7.70602820      -1.63403452       1.48463772      -0.65990834 
Hf       5.13047912      10.30223431       5.63968989       0.05340014       1.22233523      -3.15693173 
Hf       2.21705431       2.60696411      10.07520475       3.04647211       3.65217980       1.08379988 
Hf       2.88888932       0.05175965       2.47522249       1.67057241      -0.82553123       3.98031671 
Hf      10.21803394       2.02875115       2.42362413      -0.70113358      -3.15320917      -2.32288596 
Hf       2.72776018       0.31913192       7.87124679      -4.25114285      -2.82484626       1.59702739 
Hf       7.96283431      10.07942430       7.91589812      -1.25636377       0.66537517      -6.35401172 
Hf       2.35466380       5.21448555       7.68266659       0.37467384       0.54293264       0.94234649 
Hf       4.95019537       5.06573144       5.38470845       1.60859403       1.24884533      -0.92823627 
Hf      10.23839667       4.98695015       4.71842189      -3.36463688      -0.58676722       2.97901328 
Hf       2.33125468       7.98756992       5.10679055      -1.86747753       1.44251429       2.34493749 
Hf       5.31025369       5.24328654      10.19365010      -3.84714966       1.07547684      -1.65268765 
Hf       4.38844992       7.43367611       2.66382080       4.10665500      -3.96925390      -2.99811466 
Hf       4.99390191       7.79757521       7.83532460      -0.29710748      -2.80345985       2.06797086 
Hf       7.92832830       7.37249877      10.11823538      -0.59879014       0.40084002      -0.63463903 
Hf       7.52534244       5.69166640       2.54174106      -1.76961474      -4.75471285       1.43910611 
Hf       2.25465874       4.89678426       2.77074633       3.47879378       0.08146952       0.09755659 
Hf      10.17634456       7.69240309       2.05984947       1.49887700       3.69231550      -0.12056339 
Hf       0.15057408       5.12722863       0.08241693       1.09551099       0.61682622      -2.76298649 
Hf       7.55241892       2.50683178       5.00588361       2.09722756       0.65186236      -3.39832958 
Hf       0.01354567       7.83245089       7.44410736      -3.80156423       3.57249911       2.08217405 
Hf       5.35612610      10.26871924      10.31410047       0.61571262      -2.70130095       2.70599684 
Hf       2.35375785       8.35873957      10.44254555       0.91862524      -5.60377012      -1.10033196 
O       1.66395824       9.06393109       1.74973209      -1.37338814      -1.30026640      -1.20776078 
O       0.29053313       6.09101923       3.10899853       0.56883843      -2.31929989       1.21607918 
O       3.54638050       1.38331336       6.62019888       4.93714327       0.20003652       1.48552956 
O       1.37594589       1.25470260       4.01423168      -1.80322832      -1.65266949      -0.39961012 
O       1.82990947       4.14645087       0.95534155      -1.48607464      -0.80797400       0.66156690 
O       1.13058990       1.40882755       9.06296150       2.07990109      -0.55888874      -1.45334635 
O       3.48447073       3.45446832       3.87276738       1.29501573       2.11431191      -0.70873393 
O       5.82207462       3.69831320       0.74128620      -0.65223431      -1.84619247       0.10649912 
O       3.87573287       1.06535910       4.51881482      -0.61370292      -2.04829990      -2.37869241 
O       1.12690486       3.66459738       3.86711061      -1.68781646       0.95090648      -0.34472870 
O       1.52842995       0.90300458       1.59509231      -2.53524368       4.61074948      -4.69902468 
O       4.30537415       5.15518008       2.16088504      -2.44077167       2.20403344      -0.16361335 
O       4.19716892       1.04834609       1.35069964       0.03029702       0.07453177       0.00529012 
O       8.46020928       0.37002559       4.10938984       4.80515840       2.16725735       2.72963690 
O       1.06945076       9.49700361       6.79643922       0.94530772      -2.03423604      -1.73085691 
O       6.21146237       1.35230452       3.75814292       0.01385005      -1.84518264      -0.97789466 
O       6.14632493       8.27546829       9.58017871      -0.95960584       1.55487757      -0.77548820 
O       1.28859331       1.30167815       6.70799816      -0.39745652       0.54251858      -2.29462792 
O       3.56972546       6.70244919       9.61773342       0.49532843      -0.26951487      -1.24633144 
O       1.10171544       9.11554924       9.20046592      -1.15957854       1.59106506      -0.45740257 
O       9.75700861       2.05740499       0.25697923       1.45483393       1.28544499       1.65410210 
O       3.78261802       8.84926169       6.19745002       0.04049514       1.89567824       1.04405396 
O       8.50481685       8.34565494       8.51560991       1.49208608      -2.03883562      -1.06565350 
O       1.15819493       6.78529010       0.77394409       0.05503772      -0.99650727       0.07689890 
O       0.68585312       8.87657083       4.04313796       0.90491701      -1.71589478       0.23272999 
O       2.79396360       6.61821690       3.90921163       1.02550765      -3.13554993      -3.08814705 
O       4.00407873       8.62152984       0.92736152       2.23497475       1.02317985       2.65851400 
O       3.65182202       8.82792362       3.55541053      -1.84563769       3.19930578       2.44776146 
O       0.84210647       3.94398108       9.04497450       1.15706092      -1.00297968      -0.74524970 
O       8.03078266       3.64443487       1.36593298       2.21832688       2.57415544      -0.41678089 
O       6.57057737       1.45502745       6.33392487      -3.35784618      -2.27191861       2.75419516 
O       6.43208914       3.44856172       8.87240549      -1.62616540       0.99684468      -0.97487027 
O       3.93341963       3.82046024       6.63691518       0.24463311      -0.05688190      -0.03632814 
O       1.18558874       3.95710674       6.41439927       0.23095340       0.70527977       0.07360097 
O       8.72401425       2.90400429       8.37886744      -0.19930484       0.70961847       1.42268367 
O       8.96103788       3.49626593       6.08808367       2.92167972       1.94145217       0.44677985 
O       6.53265571       4.02575151       5.98513499      -1.74406065      -0.85120839       2.09322763 
O       6.67136039       0.51230521       9.04935283      -1.84324465       2.87937352       0.42660366 
O       6.76562485       1.19462703       0.98411899      -1.49991253       0.64771201       1.27159209 
O       9.32121321       0.30557002       8.84722277       3.34275550       1.17807280       4.03796309 
O       6.41906573       9.36873185       1.50935593      -3.04882086      -2.89881876      -4.55125441 
O       8.94343677       9.13684126       5.72034253      -0.80840426      -3.00491480       1.07877828 
O       0.94991723       6.49707011       8.47450129       0.52699332      -2.32567165       4.55194626 
O       8.54912614       5.54223272       9.11537927       0.68671295       1.16168843       0.74742610 
O       9.17882904       6.12511643       0.83586736      -2.24995621       1.06670507       3.93457367 
O       8.99620724       6.68080080       6.41639047       0.36446510      -1.15838184       1.95638385 
O       5.94947382       9.38976640       7.28200999       0.78747982       0.77385024      -1.40997767 
O       5.95636706       5.95204547       8.43269741       0.32063812      -0.35268791       1.37977672 
O       3.60349204       6.46474473       6.27845851       0.03859422      -1.65145155       1.78176968 
O       6.26451303       6.50964808       0.96422474       1.90448945      -0.36688340       1.05405803 
O       8.21607658       5.46225577       4.65022026       2.66146536       0.18105593      -2.64890075 
O       9.41819323       0.11950653       1.74910538       0.65781740       1.04158759       1.21438472 
O       8.29007869       7.44694453       3.16365888       1.74772328       2.48020727      -1.59445222 
O       9.42681958       8.58359876       0.42747687      -0.61755352      -0.92170811      -0.21054581 
O       6.84363540       3.72847092       3.46673251      -3.33378732       0.67749992      -0.80104848 
O       6.14299344       6.43976798       3.97419626      -3.28972189       0.32780799      -2.97167932 
O       6.11349466       9.00135567       4.44841539       1.07889613       1.18130120      -0.29568216 
O       9.16835070       0.79409843       6.57984352       1.18324715       2.11689227      -0.32874106 
O       0.98883862       6.72420172       6.38140866       3.84765776      -2.35678857      -7.50665748 
O       9.01757368       2.86186412       3.56748559       1.46568408       0.67230662       1.28553349 
O       3.63352124       9.38675622       8.98412004       1.79212207      -0.35210459       0.03376894 
O       3.85850864       1.52000958       9.23985598       0.48032058      -0.79101965      -0.61751336 
O       3.54365039       3.99903235       9.17077571      -1.20271960       0.36063374       0.03260999 
O       6.35449671       6.49846923       6.30656078      -0.40963211       1.54940307       0.04930187 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0035968062791495205 -0.006020402135929108 0.00861974738035074 -0.006020402135929108 -0.013297977022883795 0.006814635601503342 0.00861974738035074 0.006814635601503342 -0.0347532886494108" pbc="T T T" energy=-927.89013232 free_energy=-927.89026966 config_type=crystal 
Hf       0.17154657       0.14953625      10.19564214      -4.62250147       2.89293160       7.23794908 
Hf       5.47802394       2.40341023       2.25382333      -0.86028328       3.03229034      -0.24241458 
Hf       0.01175825       2.55770337       7.54632089      -1.45148042       0.69164062      -1.33321381 
Hf      10.42974759      10.37008575       5.15271875      -2.13061274       2.19891409       1.95256350 
Hf       7.85613768       5.04048278       7.29822036       1.68770249       1.82838104       0.78661642 
Hf       7.63134307       7.59703654       5.07501035       1.46633580      -0.69815538       0.86298078 
Hf       7.60957955       2.55900861      10.25588987       1.95068382       0.37802607       0.64539562 
Hf       7.31304206      10.20654352       2.95069892       0.17640049       0.49727352      -2.43699773 
Hf       2.40264892       2.47008474       5.26240327       0.37880543      -0.78458355      -0.60158233 
Hf       5.35761502       2.36581826       7.73740021      -1.57738890       1.29162288      -0.60249120 
Hf       5.09298019      10.30255500       5.68037096       2.32257628       1.66509546      -5.12898292 
Hf       2.24369675       2.59701337      10.03043893       0.26183394       2.08497584       1.35803891 
Hf       2.90301314       0.06533463       2.53640790       0.26642433      -0.53580264       1.29157133 
Hf      10.21749452       2.09607718       2.38006579      -0.24899453      -2.42925392      -1.43669252 
Hf       2.68565214       0.29815556       7.89198567      -0.79043177      -3.51855005      -0.62158983 
Hf       7.88949043      10.08432970       7.90640297       2.02213767       0.10356834      -4.05654767 
Hf       2.38198341       5.19600999       7.66222276       1.61331852       1.54451404       2.51096948 
Hf       4.94190541       5.11209984       5.38163223       0.80401426       1.20505356      -0.24699803 
Hf      10.17312704       4.99662689       4.70675072      -1.85956291      -2.32755643       6.16689458 
Hf       2.28282391       7.98190844       5.08619998       0.27706306       0.44268894       3.28394613 
Hf       5.28428799       5.25716200      10.14748987      -4.28498912      -1.60749283       2.49471480 
Hf       4.41993665       7.41222271       2.67013464       3.97608469      -1.86398713      -1.28763360 
Hf       5.00098386       7.84354716       7.85591978      -1.11458204      -3.80251820       1.03150755 
Hf       7.94670318       7.37836141      10.10655081      -2.96812936      -0.68697087      -0.23672605 
Hf       7.50766378       5.65626982       2.52485876      -2.33768300      -2.96148588       0.23594739 
Hf       2.21331746       4.82330934       2.77800506       4.19565101      -0.11878979       0.18977299 
Hf      10.21067736       7.74403924       2.06914775       0.64799320       1.74444802      -0.21060890 
Hf       0.17068739       5.15724632       0.07519829       0.20671831       0.07528013      -2.70232652 
Hf       7.58821699       2.45006154       4.97440097       1.78797541       0.80557887      -1.98213821 
Hf      10.46246189       7.83911587       7.50622028      -1.67030315      -1.06492854      -0.15684652 
Hf       5.32329541      10.28548253      10.35871056       1.05284475      -3.08442177       3.16350160 
Hf       2.38609945       8.38681453      10.45939875       4.24486912      -7.38067580      -2.54202007 
O       1.73945533       9.02472649       1.59609383      -3.04655615       0.84564819       3.76581855 
O       0.43141771       5.83979003       3.20642713       0.66036306       2.49968289      -3.19416208 
O       3.73314973       1.30353486       6.66074672       2.10886767       0.70383055       0.90277498 
O       1.18052247       1.35569536       4.02824163      -0.54597047      -3.33313032      -1.58981122 
O       1.72719931       4.05873992       0.91981477      -0.56900289       0.28463831       3.05972102 
O       1.25743805       1.18000146       8.79319499      -0.37604492       3.00976303       3.23128722 
O       3.52907443       3.60470549       4.00325389       0.83618617       1.14754715       0.25808023 
O       5.92297193       3.53539800       0.66747761      -1.04714214      -0.27005463       0.56002470 
O       3.80106302       0.80434872       4.46019541      -2.18149568       0.93682268      -3.24960017 
O       1.09839483       3.52023175       3.87749297      -0.64235902       2.63808832      -0.59921419 
O       1.73355574       0.95187598       1.23292757      -2.51600581       2.60288306      -1.61807894 
O       4.46590305       5.11013272       2.16803754      -3.82644372       1.69118984      -0.60757450 
O       4.05388549       1.10008135       1.21279165       1.49555628      -0.33644716       2.06153090 
O       8.42991675       0.44694431       4.38628447       2.56004200       0.89862210      -1.01586960 
O       1.23130311       9.36402175       7.00158857       0.76432975      -0.89470283      -2.28538548 
O       6.28752287       1.37423498       3.69591267      -0.12268359      -2.08308329       0.66603063 
O       6.12736761       8.43444149       9.44402381       0.69951371       0.57104356       0.91664062 
O       1.20707606       1.28923374       6.59631303       2.13475476      -0.32088356      -3.36314044 
O       3.66898031       6.51740301       9.29670461      -0.31400288       1.43776766       0.40922414 
O       1.04949726       9.18987998       9.47974715      -0.38300721      -2.00727049      -4.30037069 
O       9.94250495       2.17420516       0.28382252       1.16320001       1.06832966       1.37644440 
O       4.10552792       8.83473963       6.17886498      -5.03358375      -1.56342609       1.11704531 
O       8.52663312       8.29883230       8.48504599       1.58410851      -0.06988424      -0.71792210 
O       1.20245512       6.78604168       0.71015532      -0.08022449      -0.62230572       0.96731458 
O       0.59105562       8.87725134       4.02555234       1.00052987      -2.27590067      -0.67521796 
O       3.06538399       6.63633923       3.95302220      -1.39242751      -4.60108852      -2.33171346 
O       4.04846672       8.72771101       1.02055644       0.67237000       0.75499957       1.27486127 
O       3.54960011       8.81303765       3.78348588       0.22649423       2.64593397      -2.25081897 
O       0.95460253       4.10302880       9.06263496       0.50257706      -3.50844506      -1.62455020 
O       8.15328870       3.74853735       1.23926695       1.79360789       2.09624839       0.24757492 
O       6.40570207       1.37121841       6.22952358      -0.66474369       0.09669212       3.06096039 
O       6.30994576       3.48811171       8.93736051       0.66681593      -0.09923330      -1.43562733 
O       3.81789895       3.95017372       6.75584010       2.15062627      -1.12547918      -1.18129490 
O       1.25455294       4.00580482       6.51354380      -0.43582870      -0.91991537      -1.58420232 
O       8.91662979       2.93804320       8.40530370      -4.39125730       1.11642118       3.16013200 
O       9.08545138       3.57356447       6.14063456       1.32141385       0.77015002      -0.82706294 
O       6.67945013       3.96479605       6.15583839      -4.61600830      -1.01203220      -0.49847344 
O       6.70465840       0.64450975       9.12320631      -1.96458210       2.52419746      -0.00812193 
O       6.63711729       1.15885440       1.22182932       1.26822076       0.57801671      -1.20087102 
O       9.29585581       0.48354378       8.98233754      -1.79640053      -0.60633921      -0.50539407 
O       6.38733745       9.24510007       1.47768855      -0.58926772       0.28399416      -0.70595161 
O       8.90592894       9.07055431       5.99269954      -0.11048451      -2.85996688      -0.00593185 
O       0.98681582       6.38865420       8.51303177      -1.29050060       1.55077603       1.40804026 
O       8.50586201       5.52869584       9.12691909       0.69837025       1.22285173       1.05758899 
O       9.22277295       6.23712204       0.88895633      -1.93835795      -0.70271881       3.41697118 
O       9.02854623       6.58929251       6.45243281      -0.23723303      -1.30704218       1.43942514 
O       5.99836363       9.37915263       7.19126710       3.36412698       1.79858082       0.54432978 
O       5.91944263       5.88399287       8.55780900       2.55560817       1.73375735      -3.07003009 
O       3.58667254       6.60296775       6.35121482       0.18872411      -2.77041079       0.96333888 
O       6.09834913       6.67768250       1.12805803       2.54364127      -1.71731557      -0.42519839 
O       8.27842478       5.49891333       4.56458759      -0.05469815       0.56246386      -3.10900146 
O       9.42109174       0.11643208       1.77659695       0.59250682       1.53783000       1.65569761 
O       8.23098024       7.55892461       3.01445368       1.64358617       0.41464057      -0.05471895 
O       9.24653813       8.50477928       0.51901572       1.40534382       1.54123531       0.11902773 
O       6.64410421       3.72148913       3.42635956      -1.01388792       1.16376137       0.57032692 
O       5.89661511       6.44797903       4.02507633      -0.53762763       0.27132380      -2.31016483 
O       6.37172868       9.06078119       4.40618448      -0.52908041       1.26778424       0.09618228 
O       9.27505497       0.72067187       6.47528880      -0.76477623       3.42923716       3.77711425 
O       0.86038779       6.76748239       6.08753001       1.86853093      -0.61919258      -2.82898258 
O       9.00262198       2.97781434       3.55909432       1.22645352       0.26560568       0.42775359 
O       3.72287486       9.24790889       8.91372218      -0.23763614       1.55357175       0.11126758 
O       3.78026710       1.59470213       9.31820125       2.04303339      -2.64797934      -2.43426486 
O       3.54241842       4.00728338       9.30810011      -0.48403568       0.09488326      -0.00421423 
O       6.43707858       6.63948746       6.30463835      -1.40881022      -0.88815298       1.63100323 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017769934875085155 0.0026582263932133894 -0.018432886541094137 0.0026582263932133894 -0.038715041609474976 0.0041797185298186575 -0.018432886541094137 0.0041797185298186575 -0.016350209752105754" pbc="T T T" energy=-931.22229494 free_energy=-931.22240177 config_type=crystal 
Hf      10.14431621      10.02070055      10.34648174       2.40207671       2.30352064      -1.10147402 
Hf       5.00837122       2.74671583       2.02420505      -0.06013293      -0.25142274       1.33121440 
Hf      10.12433278       2.53388314       7.87668660      -0.93451342       3.33408854       0.32100583 
Hf       0.04988337      10.03947743       5.33124428      -0.71409248       3.08658418      -1.75119429 
Hf       7.80979052       5.11025287       7.58289513      -2.01590334      -0.35451455       0.46700873 
Hf       8.07723794       8.18938892       5.46448508      -2.63476190      -3.53097817      -2.04674653 
Hf       7.66882002       2.58077580      10.37916245      -0.12158343       1.37388338       0.58638764 
Hf       7.71363409       9.88203438       2.29671601       1.18851673       1.89804241       0.54026938 
Hf       2.30510101       2.39293210       5.06315414       0.48634715      -0.29927574       0.48834589 
Hf       4.88971800       2.47827339       7.69228126       3.28450362       7.03481551       0.43151027 
Hf       4.71806405       0.33904198       4.60273438       2.03888326       1.63126617       4.26125326 
Hf       1.96537056       2.23505460      10.40623359       3.23063431      -1.57625235       5.04443909 
Hf       2.32557750       0.04849493       2.59518242      -0.46335721       1.66884763      -0.04241047 
Hf      10.27727525       2.59007219       2.95465567      -2.84161942      -3.43388440      -1.49049246 
Hf       2.89482166       0.15921267       7.71746242       0.77017062      -3.20852827      -1.36444028 
Hf       7.63179217       0.15087875       8.14669520      -1.42047867      -0.81886648      -1.99922454 
Hf       2.32304185       4.79696570       7.69034324       2.02310354       1.01133838       2.58716001 
Hf       4.70647546       5.26416776       4.51531858       3.67083645      -0.09028882       1.97873546 
Hf      10.44506539       4.94954458       4.95268570      -0.74466755       3.53883100       1.16695724 
Hf       2.42342736       7.31540784       5.79956486       1.80801619      -0.39002023      -3.23182035 
Hf       5.56441258       5.26263991      10.08821790      -3.36012861      -3.00643191       2.05816856 
Hf       5.08319911       8.05956136       2.85574663       0.75273079       1.20525280      -2.58191293 
Hf       5.41574503       7.41205431       7.46007532      -6.23356746       2.86469822      -5.54753833 
Hf       7.88490707       7.72284183      10.27568638      -1.89166308      -1.51695771      -0.54582569 
Hf       7.51273266       5.06467498       2.44263054       1.56586714       0.00785882       0.45944237 
Hf       2.41124303       5.48531051       2.17079370       0.47203580      -4.21634419      -0.22000379 
Hf       0.20044814       7.94371654       2.51607804      -2.88493318      -1.40911268       0.74557874 
Hf       9.97300461       4.94074638       0.16478488       2.10764673       1.51919010       3.45262998 
Hf       7.76418353       2.56419964       5.14765959       0.13619289       1.14878994      -1.58814167 
Hf       0.01778511       7.28332852       8.12656880      -0.50203503      -0.45884264      -0.87784508 
Hf       4.98599134       0.00548921       0.06223328      -0.41880890      -1.39988112       0.99364867 
Hf       2.84806391       7.80841631       9.96739190       2.14298992      -0.95397725       1.10127542 
O       1.02088675       9.81905905       1.42438189      -1.71989567      -3.14499356      -0.83212288 
O       1.36090251       6.74837791       1.39980098      -1.73270517       4.14655612      -2.93395457 
O       2.82294535       0.55972714       5.64627219      -1.48388859      -0.28899772       1.72181251 
O       0.74325227       1.05246485       4.09627109       4.39379983       0.79297652      -1.27293009 
O       4.14669326       3.64799171       0.64738136      -2.11561258       0.82732884      -1.72690317 
O       1.40081327       0.45475963       9.47373976      -0.24725500       0.95933832      -1.24584639 
O       3.80795313       4.34921392       2.98778371       1.01017051       0.64819890       2.00666180 
O       6.46650703       3.82088548       1.02773092      -0.28874307      -0.37945886       0.38594646 
O       3.78720944       1.84028859       3.49857582      -1.27731638      -1.95812581       1.15148466 
O       1.25939806       3.53896478       3.89156645      -1.14648959       2.95078359      -0.23703353 
O       0.89061239       1.68788711       1.67714460       3.03855069      -1.09553471      -2.87917892 
O       3.89333356       7.33656945       4.08953630      -2.95429001      -5.83358535       1.56422361 
O       3.67157520       1.26157084       0.99446127      -1.31533004      -0.81356771       0.56096164 
O       9.12173152       1.11656949       4.49877644      -2.98972043       2.46289424      -0.06433375 
O       0.98442890       8.59045109       6.39390059      -0.77976719       0.46462336       2.43004433 
O       6.29518308       1.61410595       4.46928384      -1.74939822      -3.51990433      -0.31797439 
O       6.75310633       9.86571088       9.88973803       3.66655558      -0.82698442      -2.52502156 
O       0.04347011       1.17132174       6.73307047       2.20352858      -3.18608678      -1.07247430 
O       4.08549666       4.60530059       8.81867558      -1.31991492      -1.38025661      -2.54487359 
O       1.02743483       8.45989833       9.79904956      -0.71231884      -0.87147058      -1.79880818 
O       0.97786460       3.98878227       1.21154962       2.60792383       1.86079644       0.96746857 
O       3.66540129       8.67663271       6.05301363       2.19124832       2.09622185       3.01456294 
O       9.21363219       8.72724914       8.83889314      -1.74243450       2.19472409       2.19637082 
O       0.86762234       5.72539970       8.99202893       1.11817476       0.18255749       1.51741117 
O       1.08947040       9.06623366       3.76583170       2.02039469      -0.35349389       1.01883103 
O       3.68364702       5.56210981       6.20423075      -1.15970211       3.61530353      -0.68059515 
O       3.83766939       9.07982873       1.29180371      -1.03274136       0.36488329      -1.78135876 
O       3.68522218       9.53925158       3.67352777       0.34200319       0.31275737      -1.91584131 
O       1.30191469       3.35508003       9.14705815      -1.58444472       0.90900420      -3.57199788 
O       8.80977125       3.69220324       1.32888881       0.59007313      -2.02790866      -0.25997445 
O       4.83320952       0.92306431       6.73586264       0.09265957      -3.03924192      -0.88772985 
O       6.61904593       4.04172283       8.99229351       1.90323194      -0.71982104       0.30739323 
O       3.71446202       3.45739488       5.87497049       2.11949994      -2.44674055       0.45266459 
O       1.40851168       3.38094368       6.61890966      -2.08855719      -0.57921402      -0.38947173 
O       9.18252434       3.91112056       9.27784871      -2.44853892      -5.16283447      -1.46959420 
O       9.37806079       4.27957716       6.83093059       1.88583757      -0.71467185      -2.53291913 
O       6.50967885       3.94548005       6.55292958      -0.52230054       0.78782397      -1.14131564 
O       6.22288770       1.66492845       8.98610924       0.46755061      -1.85420896       0.66731526 
O       6.22828229       1.20695716       1.30216640       0.43863771      -0.88771465       0.07561621 
O       8.99889653       1.13530807       9.30226353       0.99502602      -0.17300922       0.40670993 
O       6.23364412       8.65788890       1.21962765       2.67955486      -0.02560006       1.09786999 
O       8.91573525       9.60293767       6.47496864      -0.91877069       1.06810919       0.09543247 
O       1.06585541       6.08590597       6.64943391      -1.55625548      -0.81782725      -0.82526609 
O       8.73564104       7.03474999       6.92710942       0.54568122      -1.48533101       1.06082257 
O       8.97809601       6.09148696       9.37491800      -1.35419913       5.34160300      -1.14847930 
O       9.05564532       6.55925315       4.31609164       0.96959246       0.23420805       1.91645983 
O       6.42894928       9.01123262       7.32874995       2.10339942       1.68833665      -0.64608332 
O       6.42394089       6.61274726       8.73100315       2.64079487      -1.04620217       3.67413871 
O       3.19028092       6.88184509       8.20928234      -0.40003430       1.44122575       0.46463699 
O       7.10255768       5.99622759       0.65387271      -0.02465941       3.05935606      -0.55691617 
O       9.18176386       6.07104313       1.88923639       2.61953964       1.80073955      -1.52684173 
O       8.89527247       0.96903846       1.65053450      -1.05682775      -1.52357952      -0.90176299 
O       9.05967302       9.07449180       3.66118697      -0.42679912      -0.16119410       0.15934135 
O       9.15925473       8.75255348       1.00366242      -1.69755556      -1.25054275       2.00621122 
O       6.57387109       3.75834648       3.66937489      -1.76708347       1.14820256      -0.09304177 
O       6.10642464       6.35016653       3.14047374      -0.99697396      -0.20741928       0.22100858 
O       6.45115290       9.10723102       3.96007788      -0.47807882       1.34152864      -0.09061111 
O       7.92470636       2.15697413       7.02619691       1.74386388      -3.72089268       2.89373219 
O       1.29573702       6.22784449       3.95424287       0.86559115      -0.03627583      -0.78831140 
O       9.06140832       4.00582020       3.89553743       0.02198854      -0.89679414       0.81399694 
O       3.96858910       6.37648588       0.60856243      -1.26650841       0.64208377       0.75682751 
O       4.17696696       9.18967495       8.85252652      -1.94028409       1.53763071       1.13461147 
O       3.51815850       1.60812472       8.87174225      -0.33638198       0.29040433      -0.13328864 
O       6.22371275       6.61648275       5.84823029       0.69868631       0.47342019       0.44305331 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018801177179179573 0.004278197179395517 -0.014023446334388056 0.004278197179395517 -0.055909045567818096 -0.0007991980992461628 -0.014023446334388056 -0.0007991980992461628 -0.030381750780818787" pbc="T T T" energy=-927.41821666 free_energy=-927.4186765 config_type=crystal 
Hf      10.16139673      10.00571431      10.35974263       0.77578369       1.60181026      -0.60926471 
Hf       4.98006496       2.80455341       2.00813284      -0.40916988      -0.49676399       0.53835639 
Hf      10.11057757       2.54710457       7.83365566       0.77393171       1.02823836      -0.33512372 
Hf       0.07237555      10.02243584       5.32395740      -2.54884438       5.53448925      -2.02033669 
Hf       7.83593059       5.12828697       7.59643746      -0.46340149      -0.06061533      -0.11893321 
Hf       8.09060778       8.18098729       5.44786287      -3.33420331      -5.66949086      -3.43539104 
Hf       7.64282899       2.55702924      10.34847053       0.75531242      -0.36374493       0.07335793 
Hf       7.69506862       9.84827513       2.23259055       2.77346394       3.08087799       2.12571860 
Hf       2.27957886       2.37055871       5.02258620      -0.28737454       2.51805968      -0.12926842 
Hf       4.90620781       2.43349124       7.67634438       1.18048836       6.77324973       0.61500121 
Hf       4.73272500       0.30253462       4.56364396       3.05251156       5.52882296       7.29019579 
Hf       1.97972611       2.19918767       0.03520715       3.55156275       3.26614491       0.60156420 
Hf       2.31077515       0.03283833       2.62815691      -0.94198538       0.84404155      -0.64548469 
Hf      10.27776988       2.62779876       2.98026280      -1.66184071      -6.31368423      -3.43529820 
Hf       2.91451759       0.19866240       7.75086132      -0.41746098      -3.12956996      -1.75647594 
Hf       7.60216623       0.11812436       8.14143719       0.89169400      -1.03482237      -0.49166087 
Hf       2.31772377       4.80827579       7.61434868       0.99601118      -1.51509462       3.53082428 
Hf       4.64468249       5.25824976       4.52239708       3.97249824      -0.95356734       1.53815143 
Hf      10.44618203       4.92284353       4.90621912       0.23160347       4.61397019       1.63493289 
Hf       2.45282901       7.32282231       5.79294227       0.62620806       0.18454556      -2.29671551 
Hf       5.54908504       5.31748217      10.12836446      -3.30471771      -5.62523397       1.65235056 
Hf       5.11302150       8.11235183       2.86621220       0.53541277       1.03357230      -3.06340346 
Hf       5.39992610       7.40155901       7.50359546      -4.95953966      -0.72347262      -3.80571139 
Hf       7.83468888       7.71835613      10.29895672      -0.46985202       2.42316274      -3.07283423 
Hf       7.52904099       5.11213103       2.44409277       1.82966907       0.46370546       1.55199817 
Hf       2.46447779       5.47601747       2.13197530      -2.49332955      -1.05312468      -2.74389007 
Hf       0.15278266       7.96617690       2.51644729      -2.22841674      -1.79889888       1.37782675 
Hf       9.92368170       4.89844880       0.16425100       3.41791800       2.53571194       2.68752533 
Hf       7.76219590       2.59478187       5.12976846      -0.10763581       0.01595158       0.19062200 
Hf      10.46501156       7.31725115       8.12617956      -0.30642266      -0.99196590       0.66038927 
Hf       4.99157747       0.01532880       0.08762501      -0.05937042      -1.73766188      -0.65247502 
Hf       2.92681935       7.76887019       9.98490666       0.58282777       0.00135003       1.26885082 
O       0.92962976       9.85182066       1.45447546      -0.65430765      -2.18025880      -0.33686532 
O       1.20781968       6.75342879       1.37503261       2.01405384       1.49992744      -1.64852003 
O       2.70256793       0.71501970       5.62555319       1.19512854      -5.80139337       2.49839660 
O       0.61803842       1.06762242       4.07141742       5.43858870       1.05904728      -2.14765668 
O       4.02878817       3.82155207       0.69700308      -0.79186760      -0.34242200      -1.16552988 
O       1.34086350       0.66200327       9.59452138      -1.44795820      -3.36745812      -1.95869689 
O       3.72560444       4.28308219       2.97676280       1.32190349       0.99987750       3.41509055 
O       6.55968562       3.66095577       1.09774676      -2.34134400       4.30726746       0.66786251 
O       3.84770449       1.77223934       3.39284396      -1.62944267      -2.21441527       1.75000174 
O       1.30609698       3.58493160       3.88563798      -2.30561094       3.74052965      -1.28790388 
O       1.02243502       1.89758946       1.64294075       1.80515708      -3.85823167       0.78027669 
O       3.92520199       7.13710535       4.04767998      -3.48472275      -2.90628368       1.11622944 
O       3.75022241       1.18516339       0.91357053      -1.98078440       1.96195867       2.01475482 
O       9.07586099       1.22414831       4.47173816      -3.26340693       2.11365390       0.59455632 
O       0.90380786       8.59334845       6.20329895       0.88993024      -2.18443254       3.66913026 
O       6.31170753       1.48484377       4.56641604      -0.24678490      -1.78468189      -0.33734959 
O       6.77196203       9.79775939       9.99184021       3.17349502       0.47861346      -2.86611878 
O       0.29722710       1.23442727       6.64234505       0.80688282      -4.09781984      -0.11607671 
O       4.06242183       4.59164973       8.65350869       0.84461702      -1.13636127      -0.41630407 
O       1.11204160       8.33805020       9.80847406      -2.48711422       1.07414837      -2.07017617 
O       0.96813972       3.98795147       1.16329730       1.62530268       3.49479933       0.38947650 
O       3.64895606       8.75177752       6.17063750       1.27118951       1.08587137       1.55602418 
O       9.10149062       8.94344556       8.74121251       0.20060818      -0.01660550       3.05134927 
O       0.91787140       5.62157070       9.00545926       0.28479283       0.98661224       1.78056633 
O       1.19025415       9.18506710       3.74361457       1.47096795      -1.00323436       0.72308537 
O       3.72445902       5.69352897       6.26560989      -0.99615069       2.00488229      -1.43838279 
O       3.69322170       9.16109375       1.34017755       0.73369969      -0.85072660      -2.06490565 
O       3.92962773       9.51997169       3.62082930      -3.64065473      -2.33013563      -2.85559703 
O       1.34712742       3.22356532       9.00607404      -0.56604164       0.21524654      -1.41850736 
O       8.71458587       3.49960171       1.36256737       2.48903566       1.48952256       0.92592251 
O       4.79472531       0.87861446       6.67937174      -0.22144017      -2.30673490       0.20232489 
O       6.64003861       3.96821535       9.09811464       1.39856240       0.81091921       0.08691962 
O       3.65824105       3.41114411       5.88504808       3.27217939      -0.32896272       0.52335017 
O       1.42196106       3.28024994       6.56944189      -2.05471268       2.09282128       0.05152200 
O       9.25498393       3.66233469       9.39691796      -2.61851277      -2.15834009      -1.77129034 
O       9.39743718       4.24696846       6.70141576       0.49953976      -0.06872847      -1.08534533 
O       6.59134493       4.06009676       6.56571624      -0.85142811      -0.84997232      -0.89417965 
O       6.19355167       1.63624615       8.90056941       1.28156162      -2.67791183       1.23276691 
O       6.35330157       1.37766884       1.30397852      -0.71273909      -2.91795323      -0.45928219 
O       9.16254625       1.06027358       9.30251943      -1.31112255       0.04107599      -0.13144981 
O       6.49419609       8.59467315       1.28258686      -2.07754541      -1.37614813       1.59792097 
O       8.84291677       9.51957250       6.46793106       0.48424952       3.39749469       0.40302144 
O       0.97493961       6.09039262       6.80417573       0.35389048       0.67311581      -4.04250388 
O       8.74009933       6.98609420       7.02713102      -0.04179911      -0.60674843      -1.07518141 
O       9.08928745       6.18614160       9.20799457      -1.45350449       1.78244816       1.81482309 
O       9.02307534       6.60978784       4.16934463       0.39415688      -0.79939660       3.61420433 
O       6.36817750       8.92440765       7.59262389       2.78888577       3.60666935      -0.99152634 
O       6.37893392       6.62999807       8.99404200       0.84475802       1.40506387      -1.48396776 
O       3.23000507       6.98354735       8.22946547      -0.21881300       0.31278212      -0.28616110 
O       7.20852178       6.16189623       0.65581910      -1.17459655      -3.09095654       2.71040512 
O       9.46832706       6.22901984       2.02934040      -2.00284255      -2.62420786      -2.78011787 
O       9.00043203       0.89563052       1.72744034      -0.62306845      -1.78172457      -1.49915333 
O       8.92838993       9.01749926       3.67742999       1.88027897       0.70577528       0.55985862 
O       8.99116588       8.59503466       1.15067287       1.75005029       1.32332086      -0.51312412 
O       6.33571815       3.77451331       3.77494766      -0.01108233       2.23424729      -1.35069841 
O       6.07488433       6.53801629       3.28618208       1.93450373      -4.82961729      -0.96436088 
O       6.56460211       9.01683372       3.93729652      -1.78249119       1.87463117       0.53526478 
O       8.08395473       2.08170897       7.08561771       0.31338309      -2.51106632       0.81559981 
O       1.20749858       6.38732227       3.90908289       1.33911377      -0.97063160       0.55383070 
O       9.14950536       3.88023072       3.90923403      -3.07862523       1.82928555       1.16235555 
O       3.95764030       6.29570189       0.56847877      -0.87791212       1.45232672       1.44232179 
O       4.07471951       9.22984171       8.94346838      -0.95999396       1.73262434       0.98261268 
O       3.53479504       1.49572129       8.99935181       1.75777016       1.26577210      -1.83923614 
O       6.32624624       6.61229429       5.90709942       0.06805655       0.93054183       1.27763704 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025182725435010916 0.006526789839673587 0.0015814274388393325 0.006526789839673587 -0.046645571436864146 0.003614588575826509 0.0015814274388393325 0.003614588575826509 -0.04698847369424803" pbc="T T T" energy=-920.74943934 free_energy=-920.75953532 config_type=crystal 
Hf      10.20973739       9.98982777      10.37799442      -0.99099234       0.04394239      -0.70790095 
Hf       4.89300952       2.95099030       1.97946843      -1.63603764      -0.53688331       3.17919806 
Hf      10.09910421       2.57994101       7.70988332       2.18084177      -2.35976843      -0.48972679 
Hf       0.10224075      10.05171566       5.28434084       0.01432216       0.47318105       0.40390693 
Hf       7.90303390       5.17377601       7.62195552      -0.26407370      -0.28890066      -2.28358744 
Hf       8.08209457       8.08166912       5.36310151      -0.94062385      -2.13569286       0.02200778 
Hf       7.58335387       2.47679944      10.27692181       0.24503138      -2.14033831       1.91693248 
Hf       7.69572642       9.82000697       2.10653637       2.72866230       2.60666662       2.20596234 
Hf       2.21167374       2.33853633       4.92321780       2.15079067      -0.77498406       2.74935890 
Hf       4.96349686       2.40055893       7.63656748       1.15869375       3.19460866      -0.77208270 
Hf       4.79641434       0.26328972       4.56515036      -1.17502345      -0.80522218       5.47951517 
Hf       2.07776510       2.15909521       0.24526608      -0.43463099       2.39215479      -4.19284372 
Hf       2.26093144       0.00531411       2.69062432       0.10583218      -0.64346691      -3.00270964 
Hf      10.25311215       2.63771192       2.98880385      -3.39343748      -2.00371836      -2.27779388 
Hf       2.95097031       0.25114411       7.80627796      -1.67551614      -3.03151776      -2.52800361 
Hf       7.55239045       0.01882304       8.11862454       4.83019574      -1.16425345      -0.78182292 
Hf       2.30726950       4.81122360       7.46882182      -1.01254302      -1.97802834       4.15044926 
Hf       4.55532532       5.20850077       4.57579145       4.31103478      -0.12698755       2.51588049 
Hf      10.45069485       4.93743268       4.81127928      -1.56469014       8.01861597       2.93274873 
Hf       2.52717859       7.36572797       5.73715837      -4.24798998       5.47856013      -3.87642751 
Hf       5.46398605       5.36967020      10.26129703      -0.11190417      -4.64316686       0.76262559 
Hf       5.21605035       8.21896912       2.84823232      -2.66685318      -6.70661561       2.14965767 
Hf       5.30006819       7.38400154       7.56639601      -1.91669927       3.60324429      -2.00767269 
Hf       7.71270762       7.76097711      10.30830502       2.46270400       2.07684906      -1.12057750 
Hf       7.59602592       5.24109764       2.48859139       3.10596269      -3.56470127      10.64490147 
Hf       2.56091294       5.44258120       1.99066988      -3.64701991       1.64238192       0.33968252 
Hf       0.00938829       8.00141451       2.54191940       3.07680423      -4.19397226       2.17505529 
Hf       9.85020740       4.81986606       0.19083598       3.83273249       2.25869148       1.01820084 
Hf       7.73057552       2.68791023       5.10311283      -3.85618160       0.86936171       3.52218548 
Hf      10.42521928       7.40287848       8.12857088       0.88624398      -0.81415892      -1.23465776 
Hf       5.00626741       0.01737536       0.13629902      -1.28497752       0.20421914      -1.72674139 
Hf       3.11194256       7.68145691      10.05408961      -7.29940075       4.23052416       1.59839546 
O       0.73805664       9.63210823       1.60507487       1.56849446      -0.30143121       0.35723067 
O       1.32326825       6.95565357       1.11239640       2.90329826       0.39784787       1.33312543 
O       2.66037344       0.43882641       5.74313760       2.94012461       1.81305680      -3.68056258 
O       0.96671946       1.21930487       3.79769877      -1.63906251      -2.09847122       5.63514575 
O       3.67485049       4.09552809       0.73176060       1.60424027      -2.68271397       0.18420168 
O       1.08850615       0.69061346       9.66255733       4.08789172       0.87098042       0.71638828 
O       3.59968894       4.17466251       3.31584298      -1.89813590      -1.87236702      -2.26820599 
O       6.43983318       3.94020843       1.32777552      -1.45690204      -0.62546886      -1.80378011 
O       3.76917303       1.38209468       3.36253489      -0.00996557       3.00680292       1.08099065 
O       1.17640706       4.04896774       3.70204063       0.82279800      -3.78669111      -1.38705257 
O       1.41576811       1.88603582       2.03463713       0.88936029       1.53450434      -5.53484123 
O       3.46811656       6.65261762       3.85235661       1.67492920       2.15915469      -1.38906659 
O       3.71345842       1.33798038       1.02612718       1.30329384       0.21194849      -0.23558563 
O       8.87450815       1.53611475       4.32456790       4.73013990      -2.41786709      -2.13617381 
O       0.76794623       8.35727766       6.23971557      -0.97728298       2.35421944       1.30879841 
O       6.46679244       1.07594870       4.76525060       1.15902700       2.53673457      -0.23596278 
O       7.10393430       9.70475883      10.09951082      -2.30156525       0.67825403       3.92523830 
O       0.87032513       0.87801946       6.53124016      -3.83700052       1.95729944       3.22324353 
O       4.21546666       4.38134610       8.25572715       0.61320870       0.23194222       1.91641019 
O       1.02550894       8.23069137       9.50611423       0.80289336       2.11129847       0.04352302 
O       1.12147081       4.39872334       1.07523166      -0.38237959      -2.85871726      -0.48929155 
O       3.75581021       8.95117715       6.62088369       0.04157671      -2.73128923      -1.17942928 
O       8.96813470       9.21983812       8.94368524       1.77074057      -5.44361780       0.12158383 
O       1.05822796       5.48149307       9.22868520      -0.67775191       0.34803874      -2.30455967 
O       1.54780048       9.22400273       3.90120896      -2.53238909      -1.89021638       1.92839920 
O       3.76328810       6.11601838       6.30300918       2.01219905      -4.04701212       0.25631748 
O       3.50600577       9.20251886       1.11109420       2.47745005      -0.65097002      -0.21063313 
O       3.88189704       9.44740690       3.34883464       0.34839931       0.36287612       2.03563981 
O       1.45701844       2.93469223       8.56738557       1.29459186       0.56662844       1.67474865 
O       8.86953336       3.27790845       1.55962613       0.04232685       1.02762550      -1.61678811 
O       4.71223103       0.62657675       6.70570292       1.40990311       2.49848957       1.47963383 
O       6.81225596       4.02167147       9.31910249      -0.44567191       1.53989877      -1.02447242 
O       3.91746548       3.24076139       5.97947999      -1.13139302      -0.26800434      -0.59558247 
O       1.20368815       3.42826881       6.31458071       0.40984579       1.28188254      -2.10579126 
O       9.23963441       3.06824503       9.51650088       1.74892021       5.40155260      -0.84947136 
O       9.38689615       4.13810941       6.37573357      -2.24227250      -0.45844026       3.63256063 
O       6.66827276       4.16590062       6.50434255      -0.11923659      -1.46353264       0.52486408 
O       6.26156481       1.28215074       8.89812995      -0.16641314       2.39407794       1.81147352 
O       6.47028658       1.32760314       1.27639830      -1.59967554      -0.82163743       0.39096732 
O       9.29559582       0.94789213       9.29550278      -2.89787260       0.67419894       0.39400434 
O       6.54610792       8.17110510       1.57174379      -0.03665547       1.48849037      -3.29012800 
O       8.74139274       9.73543223       6.40509419       0.31329564      -1.42651111      -1.43225703 
O       0.89579588       6.13225627       6.61449156       2.23856235      -1.71721952      -0.08485341 
O       8.71902647       6.84315301       6.99384589       1.17408420       0.72013207      -0.15339402 
O       9.04650686       6.45946327       9.33721216      -0.86464993      -2.07863479       1.81410396 
O       8.96356442       6.57574181       4.33541256      -0.05264648      -0.42246751       0.42582530 
O       6.39621582       8.95831751       8.02217044      -1.93740245      -1.41999016      -2.38479779 
O       6.27165203       6.88639736       9.27891469      -2.17367788      -2.24448902      -0.51478294 
O       3.34053724       7.20037112       8.22407066      -0.28751905      -1.76174320       1.20674527 
O       7.27400586       6.01698824       0.99986550      -1.95674347       4.31877639      -9.45339032 
O       9.72808893       6.01281327       1.93545848      -2.58918368      -1.93460247      -0.88013544 
O       9.19557663       0.47984167       1.68114468      -0.77556022       0.70113713      -1.11364718 
O       8.97560683       9.05882819       3.79306057       1.68650714       1.22372535      -0.58245013 
O       8.92591530       8.36850653       1.36077723      -0.38648257       0.64663867      -2.32030778 
O       5.86028369       3.98387049       3.80601866       3.50950863      -3.60574807      -1.38988198 
O       6.21311875       6.35234978       3.50622420      -1.73584474       1.17858644      -0.42787084 
O       6.51918477       9.08338839       3.97958897      -0.91346114       1.01465324       0.55208917 
O       8.41769620       1.63525196       7.19396654      -1.64660651       2.38604013      -2.71255044 
O       1.18425482       6.63528256       3.92108176      -1.36025743      -0.94584046       0.60040473 
O       8.89993757       3.90676180       4.04318181       0.30748692       1.67590901      -2.03955270 
O       3.91050535       6.33725909       0.70215716       2.95544384       0.60156660       0.98592239 
O       3.75142539       9.55632321       9.32137690       0.81206346      -0.65585738      -1.53885207 
O       3.86564764       1.49027437       9.05246506      -0.71511657       1.70341221      -0.13668745 
O       6.54929435       6.75785150       6.26912925      -0.88612351      -0.24266174      -0.88979280 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013200887340023282 -0.007603246534653216 -0.0015169347489207851 -0.007603246534653216 -0.015134784052642195 -0.0025464308597655454 -0.0015169347489207851 -0.0025464308597655454 -0.014303922815049481" pbc="T T T" energy=-934.86697606 free_energy=-934.86725067 config_type=crystal 
Hf      10.20057360      10.38474125      10.27700271      -1.90528052      -1.79156776       1.33274049 
Hf       5.07641230       2.47227521       2.26515278      -1.48334999       1.58035046       0.61190774 
Hf       0.13988809       2.70527365       7.78154466      -0.00152525      -3.07213934      -4.01348405 
Hf      10.26790842      10.17279044       4.92602483       2.40946838       4.00812339       2.93331165 
Hf       7.69304833       5.23072794       7.78789283       0.69809301       1.19295031      -0.23040396 
Hf       7.52283861       8.22461103       4.97440578       0.94660563      -0.98804533       4.04185362 
Hf       7.96696260       2.41950306       9.99928199      -2.72296416       3.22846960      -1.11801648 
Hf       7.67313471       0.29075459       2.32518345      -0.40288509      -3.62642430       2.66271244 
Hf       2.68921913       2.63380447       4.84181850       0.04214298       2.17537311       1.47469876 
Hf       5.20797338       2.19043782       7.43985096      -0.36383132       2.06253415      -2.06478241 
Hf       4.57802745      10.32022456       5.05049234       4.10999212      -0.14810979       1.12653442 
Hf       2.64133679       2.75582854      10.03509356      -0.82966295      -1.99919710       2.50356702 
Hf       2.32753520      10.00588522       2.23761338      -2.77754103       0.13535380       3.69790011 
Hf       0.36408833       2.45735753       2.81816198      -0.53814015       2.03148715      -1.76773368 
Hf       2.44710233      10.04222711       7.65308461      -2.10387863       1.98297045      -1.81868081 
Hf       7.23447722      10.11978553       7.96769126       5.28154922      -0.80818293      -3.47613324 
Hf       2.68953824       5.08786379       7.88269922      -0.08824710       1.83793224      -3.47041075 
Hf       5.38987928       5.14895248       5.36803904      -0.40587833      -2.59078421      -1.32756932 
Hf      10.38672815       4.95030495       5.21538962       3.74932870       1.53782816       0.25328585 
Hf       2.53317008       7.87226840       4.94558417      -3.58664642      -2.29130926       2.80648963 
Hf       5.37081750       5.06568779       0.08026361       0.56427420       0.19398243      -1.48260496 
Hf       5.02596563       7.36928910       2.80935091       1.63716827       0.25741445      -1.43214986 
Hf       5.39987461       7.71678693       7.64052863      -0.24008496      -0.20035967       1.17720061 
Hf       7.40926632       8.02983882       0.26330510       2.05378236      -1.16567535      -1.39519589 
Hf       7.98978928       5.42518627       2.58240067       0.20342336      -1.22912000       0.28958692 
Hf       2.51557357       5.19837681       2.63811079      -3.19226248       1.74024451      -1.86546489 
Hf      10.18998599       7.98300718       2.54449241      -2.55905009      -2.18524662      -0.29586744 
Hf      10.43244420       4.85198191      10.38983609      -1.67710493       2.75760877       0.64843301 
Hf       7.98666627       2.56979654       4.71234480      -1.90275318       1.18334434       3.88240519 
Hf      10.23008630       7.61718335       8.08345465      -1.61181918       2.22182721      -3.70229578 
Hf       4.44536952       0.02624012      10.44929541       1.82566875       0.53361541      -0.05490835 
Hf       2.43000401       7.47805741      10.05158630       0.79753873       0.70166292       3.36301919 
O       1.29647687       8.40023314       1.44638949       1.66952704       0.50785367      -3.65878180 
O       1.49198789       5.67127908       0.86484388       0.46715594       0.37465496      -0.93009941 
O       3.78261300       1.09535419       6.47987383      -0.02729129      -1.08779456      -0.13673530 
O       1.26997007       1.36166664       4.15601833      -0.48381179      -0.61656852       1.46172041 
O       4.06071395       3.52163181       0.73353409      -0.73290894       0.62523074      -2.09629676 
O       1.05343329       1.14885792       9.68481831       1.19078215       3.16085606      -0.46090551 
O       3.48786722       3.67071058       3.21965044       3.52022323      -2.09112163       1.57447191 
O       6.26007306       3.86474106       1.39036141       2.36877211      -0.00609123       1.13899857 
O       3.72065948       1.21508511       3.90762118       0.31814297      -0.15130344       0.05383503 
O       1.25161445       4.06608489       3.89854626       0.49676796      -1.77341493      -1.28456049 
O       0.63774628       0.65970677       1.93608844      -0.28621350      -1.19702521      -2.92676912 
O       0.92893888       6.65927580       3.45178845       2.66546618      -2.77414003       1.76502739 
O       3.47528099       0.96075498       1.50610764       0.44855158       1.53031131      -2.86553297 
O       9.70156256       2.78959156       5.98304729      -1.17393396      -0.32992533       0.41923160 
O       1.26506330       9.21753409       6.02300808       1.82439600      -0.78697738       1.49860421 
O       6.00982025       1.02140389       3.24963265       3.16733441      -1.47303340       0.65330557 
O       6.19922414       9.09836855       9.34443384      -1.55275988      -0.40588437       1.13470434 
O       1.16046620       1.04330818       6.99852763      -0.80863798       1.36108729       1.02104620 
O       3.67435397       3.49123870       8.49173044       1.22629736       1.36640591      -0.20075153 
O       0.99515728       9.05767806       9.18695248       0.31258347      -0.29692324      -0.75570816 
O       1.72397572       3.20490021       1.52226577      -1.46584977       0.03993943      -2.12414323 
O       3.72294781       8.82962417       6.58514831      -0.44566600       0.06309445      -3.95999171 
O       8.86260369       9.00513973       9.36707631      -0.85670368       0.16478996      -1.29618877 
O       1.17613357       6.55541949       8.90529427       4.09304734      -1.46820594       0.24419195 
O       0.81059421       9.03757971       3.69888559       3.31653965       2.01055446       1.62787634 
O       3.64007455       6.32106400       4.05244273       1.10597802       0.39762712      -0.78289285 
O       3.59861919       8.99773049       1.20532318       2.96276359      -0.92279416      -3.41263138 
O       3.60154303       9.04598732       3.80479045      -2.37921342       0.32621675      -1.97659691 
O       1.24911208       3.98957174       8.95407765       0.06539137      -1.08935298       1.53201195 
O       9.21844946       3.74225114       1.03860551      -0.34119612      -0.88257915      -0.38100127 
O       6.64086701       1.07065563       5.95098765      -0.65807050       2.08252828       0.57083923 
O       6.69697767       4.02699102       9.21157328      -1.15465925      -1.68675138       0.57945730 
O       4.12866325       3.63708750       6.01548456       1.14215034      -0.62688806      -0.50164826 
O       1.43500812       4.00206325       6.22607643       0.89101176      -1.22708030       3.73145141 
O       9.10281386       3.70776616       8.75718121       0.77482769       0.00820770       0.50006554 
O       8.82253991       5.35432748       6.01808635      -3.82024001       1.21658458       3.60297709 
O       6.83462243       3.90799619       6.44520454      -1.74589454      -1.14861587       1.02877787 
O       6.33614548       1.20544061       8.71102276      -1.37823615       0.87817192       0.72461116 
O       5.81802410       1.35777594       0.69868897       0.78978701      -1.62565544      -0.49395909 
O       8.46991595       1.00625930       0.81096995       1.60024125       0.94954126      -1.60408264 
O       6.63252995       8.81918529       1.92872191      -0.66293450       1.23329452      -0.41780691 
O       9.07308755       9.50603113       6.30211568      -0.60788265       0.20907592       1.85562381 
O       0.64782345       6.53705905       6.43908506       0.15723386       1.22409929       0.25493031 
O       7.67924645       7.72412489       7.11519258       2.14984571       1.60958906       1.83602336 
O       9.43501241       6.27368603       9.13255336      -2.59315036      -2.12758676       0.67526222 
O       6.29766399       6.36445101       6.56055138      -2.86829934      -2.63997326      -1.33861821 
O       6.06273945       9.33011042       6.41522024      -0.05775734       0.18176891       3.12461506 
O       6.62398807       6.42801234       9.19685717      -0.42189928       1.74527489      -0.15278502 
O       4.07390137       6.20352784       9.15904603      -2.23489912      -0.18215624       0.25602702 
O       6.42789669       6.37905606       1.16928679       1.33028825       1.43743904       1.32371721 
O       9.38625614       6.45500153       1.40312829      -1.66685310      -1.86152283      -1.02645373 
O       9.16855070       1.50151099       3.48018974      -2.92986435      -2.06062450      -0.14229505 
O       8.73276849       9.48791361       4.02055347      -2.85220389       1.36190829      -4.20743499 
O       9.14364900       9.12912756       1.28254228      -1.77535680       1.07507254      -0.29981500 
O       6.64310228       3.77331765       3.94296198      -1.47148965      -0.85559647      -0.67117883 
O       6.48237619       6.15879792       3.68652082      -2.33838404       0.91152092       0.96508858 
O       5.60464173       8.37610153       4.47363412       0.85075906       0.64767374      -0.72410863 
O       8.66773990       1.18007399       8.66061534       2.86461858      -0.78471987       0.01638537 
O       8.68506679       7.18191931       3.73889233      -0.16593709      -2.93293490      -0.32529669 
O       9.13487780       4.01791777       3.87058078      -0.01336146       1.29605008      -3.18394621 
O       3.87812115       6.35039302       1.50177641       0.04841394      -0.61494523      -0.96806825 
O       3.46355256       8.69491203       8.72761116       1.26020121      -0.07439082       3.97778124 
O       3.65669509       1.25352777       8.89908625       0.08519372      -2.94596455       2.34677825 
O       3.57933019       6.08233479       6.42534639       0.92905132       1.47828549       0.46971482 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011724401876879516 0.003965225667085206 -0.0032401914262160728 0.003965225667085206 -0.01962987468528663 -0.01661424063640912 -0.0032401914262160728 -0.01661424063640912 -0.03824425632887128" pbc="T T T" energy=-926.38343509 free_energy=-926.40032227 config_type=crystal 
Hf      10.09503495      10.27123971      10.34232624       1.82100607       1.31698742      -0.38449972 
Hf       5.10786114       2.42974947       2.25611281       2.18700915       0.51590864      -0.67939145 
Hf       0.14032055       2.66401328       7.77438169       0.25420812      -1.29677273       1.71241537 
Hf      10.22310231      10.34081942       4.81655811      -3.27580294       0.03238169       1.92807825 
Hf       7.76467859       5.16800955       7.89014614      -2.88275546       0.46420312      -0.75785685 
Hf       7.51809292       8.32238041       5.05699907       0.63540003      -0.70585951       1.88876197 
Hf       7.91215477       2.37023573       9.95837956      -0.54176803      -0.10405332       1.31345584 
Hf       7.57282550       0.30625608       2.19508984       1.39531198      -1.22570035      -4.73082061 
Hf       2.69266063       2.60478463       4.80004371       3.05072139       2.26135776       4.85503076 
Hf       5.33290924       2.29564364       7.44045130      -1.10296993       2.58664024       1.59803269 
Hf       4.63165574      10.45714286       5.05400427       3.79563044      -1.14407489       0.73844503 
Hf       2.70611765       2.63640585      10.15166473      -2.88796535       1.23495786      -1.38094857 
Hf       2.27534696      10.00272014       2.25947853       1.28743946       0.33091156      -3.25405304 
Hf       0.47610545       2.29219409       2.77920542      -2.79875058       1.30338675      -2.80771880 
Hf       2.41633390       9.97844755       7.51325398       1.51919046       4.22957492       1.94960667 
Hf       7.15317808      10.05838860       7.99609108       5.47148762       1.02115035       1.37790989 
Hf       2.80478367       5.23063845       7.74450038      -1.22083178      -2.44190683       1.47522341 
Hf       5.39133000       5.12266579       5.39090800       0.26707304      -4.07031800      -2.40542539 
Hf       0.09981814       4.98195934       5.24849651      -0.40052594      -0.07087128      -0.00654142 
Hf       2.51512792       7.79824997       5.08827302      -0.85846825      -1.08802078      -1.57427150 
Hf       5.41707957       5.19564534       0.06124517       0.00219301      -0.85205453      -0.11485900 
Hf       5.06693861       7.33995799       2.75883433      -0.85571556       2.48101860       0.10101043 
Hf       5.31324650       7.74972102       7.76263244      -0.89332643       5.41929470       5.28240180 
Hf       7.48571699       7.92459207       0.29114477      -1.78391144       2.13635382      -1.64068830 
Hf       8.04838712       5.47469370       2.61634528      -3.63306333      -4.15061338      -0.63495158 
Hf       2.62895339       5.13630911       2.47423072       1.56547807      -0.09982727      -1.60264146 
Hf      10.25863767       7.88632650       2.49754083       0.09016253       0.01138283      -0.57931821 
Hf      10.35976063       4.94624375      10.41708013       0.79818725      -1.38648189      -1.97621174 
Hf       7.91025610       2.53267816       4.74218038      -1.69572023      -0.21111645       2.66544584 
Hf      10.24699905       7.55020909       8.05935874      -4.67772328      -2.22946809      -0.31839726 
Hf       4.38674257      10.45219664      10.33887271       8.17745995      -4.26585309       0.64844048 
Hf       2.38347495       7.54008231      10.11500268       0.51337940      -1.75903352       1.85723130 
O       1.09429166       8.77892317       1.12409018      -0.31959367      -2.19798458       0.44791856 
O       1.54501856       5.88055672       0.81970776      -2.55101579       0.89503437       1.22773404 
O       3.76271591       1.08921607       6.60396790       0.14673899      -1.41939578      -1.34304072 
O       1.26937810       1.10038707       4.44931485      -0.19033689       2.20878567      -1.18032012 
O       3.88053319       4.00258813       0.55880591      -0.45426308      -0.68989451       1.66498010 
O       1.02625340       1.59306847       9.72252175      -0.28241623      -3.76321558       1.19992156 
O       4.23374829       3.79334692       3.29345243      -3.44025809       0.59227488      -0.69764484 
O       6.44797850       3.75057491       1.32332257      -0.07607510       1.39768017       0.24817574 
O       3.78869731       1.32665898       3.92047368       0.09652498      -0.99993778      -2.17179346 
O       1.56461087       3.87979449       3.82347074      -1.56944557      -0.25828273       0.62600988 
O       0.84541181       0.70087159       1.60101765      -0.26747833       1.21871884       2.05719506 
O       1.06273973       6.53421842       3.70857960      -0.32378912      -0.27357583      -0.09442398 
O       3.66269536       1.07601171       1.33494110      -1.34861048       0.82402536       1.74361372 
O       9.19666156       2.99953076       6.26579367       1.90275093       0.28074351      -2.09868399 
O       1.44008716       9.12136353       6.15901677      -3.04919651      -0.93746588      -0.53132888 
O       6.31117658       1.11466830       3.33708246      -2.94657896       2.29728227       2.63540619 
O       5.86555645       8.84193849       9.51185986       1.51475009       1.46632220      -0.33236954 
O       1.37300332       1.28791248       7.35000366       0.46022555      -2.82231707      -2.07930758 
O       3.70272334       3.63808493       8.32118967      -0.09300483      -0.87746315       0.64099511 
O       0.78723166       8.79609674       9.03765026       2.45910228       0.87329187       0.06208654 
O       1.37047950       3.37744002       1.34892457       0.39890590       0.13011134       1.11028011 
O       3.90930917       9.01317327       6.16639293      -3.82790777      -2.76400882       1.44193962 
O       8.78249027       8.85127267       9.28484892      -0.54646069       0.41713583       0.92170770 
O       1.36457478       5.96751974       8.83776541      -2.54870062       4.25987705       0.50861183 
O       0.91638269       9.16815027       3.75845083      -3.04292161      -1.74755736      -1.71673668 
O       3.73710271       6.13745148       3.96547289      -0.48595590       1.73528682      -0.66520184 
O       3.61418965       8.83286587       0.63971183      -0.94063057       0.27693347       7.10939082 
O       3.17592265       9.12267076       3.68363153       3.60314126      -0.95375806       1.46211600 
O       1.12324703       3.66381011       9.18609949      -0.21453762       3.26824358       0.39617926 
O       9.14310099       3.70574577       0.85529713      -0.38616918       0.68815333       0.02464565 
O       6.72396707       1.30742692       6.42279620       1.05235679      -1.27600843      -2.22058524 
O       6.10856812       3.72949441       9.14369463       2.01459045       0.48928383       0.41276147 
O       4.24952546       3.47127861       5.74556147      -0.67239429       0.61085289       0.72969854 
O       1.52904452       3.99644332       6.51218194      -2.01027921      -0.66141689      -1.45287151 
O       8.95772721       3.68099101       8.59647376      -0.59862615      -0.03322071       1.62051098 
O       8.17801635       6.02002207       6.12785900       1.55571002      -1.85206086      -0.21195362 
O       6.60474449       3.65332068       6.65256602       0.38740959       3.08808911      -0.49673031 
O       6.04076860       1.01637624       8.88204811       1.57972352      -0.13310301      -0.70759693 
O       6.39529961       1.12935625       0.69531184      -1.25548642       0.43628564       1.01496598 
O       8.93828070       1.12238723       0.71737554      -2.03588113       1.63669748       2.31959126 
O       6.56896704       8.92709003       2.04958893      -0.02409828       0.34328273      -1.92876776 
O       9.03386526       9.70941681       6.33960362       0.94721690      -0.20139619      -1.20544190 
O       0.36928260       6.39681888       6.55902604      -0.09930452       1.12389483      -1.21165644 
O       7.49975143       7.98046724       7.20843271      -0.55544935       0.82717241       0.39250082 
O       8.91595158       6.19497759       9.28006890       4.33966476       0.13804058      -2.35841065 
O       5.78129810       6.33778250       6.85288166       0.39663498      -5.99971216      -2.87687464 
O       5.87019225       9.53093461       6.82576520      -1.99645042      -0.14278064      -2.52780525 
O       6.58965286       6.50707653       9.38752800      -0.56335920      -0.97215608      -1.29955597 
O       3.83902780       6.37313868       9.24036495       0.99308066       0.30798153      -1.52812768 
O       6.23731054       6.74031988       1.35497477       1.35486110      -3.60643921      -0.70786801 
O       8.69330505       6.53915617       1.00220291       3.62335174      -0.91705545       3.61211365 
O       9.09638060       1.45311036       3.39355106       2.26845513       1.17410356       0.65242826 
O       7.97909638      10.04104726       3.91947520       2.87829676      -4.64127285       5.62515343 
O       9.06430997       9.39798331       1.54836555       1.31488547      -3.52647479       0.36349969 
O       6.54240268       3.62973583       4.05615875       0.68080929       1.15176933      -0.28300119 
O       6.16165488       6.13853379       3.84933450       2.85516628      -0.18703784      -0.50769301 
O       5.70804067       8.61799352       4.39411538      -0.38655235       0.59523433       0.61146115 
O       9.27994666       0.95079880       8.97840633      -2.86050841       1.98234348      -3.90951798 
O       8.69987521       6.82917436       3.71640141       1.80127484       3.93677293       0.61225121 
O       9.35267408       4.17275128       3.69178135      -0.27912764       0.10128062      -0.09661781 
O       3.85208083       6.41891627       1.36485182      -0.40243476      -0.11778740       0.88758393 
O       3.27145729       9.00869164       9.14778566       0.03952950       1.92925071      -6.89038614 
O       3.74336987       1.24546032       9.28411953      -2.79343471       2.40451911      -4.49631556 
O       3.05865725       6.29763531       6.16105276       1.49406644       0.65596350       0.98405750 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018140155949528135 0.00740914257884545 -0.0026955559667594924 0.00740914257884545 -0.01699556881962461 0.0057915578217380016 -0.0026955559667594924 0.0057915578217380016 -0.00885203004205515" pbc="T T T" energy=-927.77998834 free_energy=-927.78003813 config_type=crystal 
Hf       0.12051672      10.07745404      10.33232652      -0.77042675      -0.01339651      -1.64745581 
Hf       5.31289410       2.60049181       2.55701825      -1.83566069      -1.57901964       0.00805119 
Hf       0.09312971       2.54753996       7.60877501       1.77360346      -1.27930314       2.08525511 
Hf      10.33211479       0.04993916       5.37700324       1.32853841      -1.43386139      -3.12794997 
Hf       7.39900819       5.23449954       7.53002314       0.79927920      -0.56547422       0.74893781 
Hf       7.72764425       7.80274049       5.35267288      -1.52000577       0.77641091       0.13093373 
Hf       7.42131428       2.84469652      10.22501019       2.97029662      -0.23876470       1.90775976 
Hf       7.88830576      10.42395758       2.44720667      -0.95098702      -1.65912771       0.03869023 
Hf       2.85094379       2.77628912       4.92646368      -4.78950722       0.89742843       2.67906832 
Hf       5.33160777       2.26815354       7.49734211      -0.35058645       0.62415940       0.67546968 
Hf       5.09409400      10.29253487       4.96347938      -1.25409186      -0.17376902      -0.73871245 
Hf       2.68266143       2.48109403       0.21378239      -0.49876918       1.05027256       1.75460972 
Hf       2.14021524      10.45260273       2.54294205       5.05580381       1.33640437       1.62271260 
Hf      10.24378645       2.47343602       2.20827474       2.57831320       1.82195879      -0.49721120 
Hf       2.71327307      10.33043120       7.58290393      -4.34694431      -1.73972654      -1.47866115 
Hf       7.90703680      10.20120775       7.59935512      -3.23695933      -0.68166071       1.17758978 
Hf       2.43834243       4.97582186       7.92597288      -2.11017569       0.79323004      -3.59466095 
Hf       4.93636481       5.19375630       5.12869829       0.49896368       1.12129427      -1.31064872 
Hf      10.14186910       4.74094348       4.92713530      -0.19334984       3.29827646       1.75831483 
Hf       2.57423139       7.43196667       5.10629330      -1.44080838       4.28309185      -3.62767735 
Hf       4.95180591       4.99329769      10.26131325       2.24152696       1.15132754       1.64258481 
Hf       4.94252051       7.54546110       2.16197447       4.63699825       0.57343837       3.68109423 
Hf       4.77680278       7.57979358       8.02684193       1.69559126       2.18020044      -2.64996517 
Hf       7.80167451       7.92893921       9.80251617       0.17024739       0.18477444       5.45735853 
Hf       7.55936398       5.38227307       2.73458885       0.69870003      -0.67555187      -3.27341906 
Hf       1.99196204       5.02973043       2.47170983       1.77334841       0.01725676       0.84998973 
Hf      10.34208144       7.81545337       2.57052311      -2.56653573       1.15082011      -0.42903189 
Hf      10.15818162       5.62973434       0.07525983      -2.78813759      -0.09387450       0.45170181 
Hf       7.96216165       2.47800431       5.01767693      -2.16531802      -2.39478556      -1.71646366 
Hf       0.19395187       7.54047835       7.59371049      -0.51311251       2.03079748      -0.90428023 
Hf       5.25426140       0.31179563       0.02299550       0.58950297      -0.00640871      -0.20791141 
Hf       2.54352816       7.77572116      10.43786371      -2.87767225       0.48897589       0.66112295 
O       1.49067533       9.39107530       1.15951545      -1.41614139      -5.21675356      -5.60340143 
O       1.11246559       6.52158017       1.36023121      -0.21398802       0.12534236      -3.09007697 
O       1.10933944       1.53364599       6.17099199      -1.61830053      -0.24969362      -1.24347489 
O       1.15215007       1.38131756       3.27813441      -2.01823427       3.19198956       2.19024780 
O       3.39909480       3.63894336       2.27668172       1.58011822      -2.98486926       0.05566796 
O       0.50630201       0.00113747       8.34971206       2.00311724       2.17630706       0.88014465 
O       3.01547727       4.82586864       4.40542108       0.85236006      -0.54104040       0.65232794 
O       6.49729733       3.55472646       1.41595859       0.33414764       3.38365096       0.00256954 
O       3.69369289       1.32606409       4.06785933       2.27862348      -0.41384949      -0.05030798 
O       0.86267999       3.75566054       3.93754091       2.61327213      -0.40515434      -2.34717971 
O       1.14116349       1.27113967       0.76336329      -0.87036839      -0.85211680      -0.07223432 
O       1.29802514       7.06680786       3.59960636       2.63433780      -2.02111311      -0.41289582 
O       3.79358492       1.17237799       1.38754087       0.14832638      -2.00006299       0.19616885 
O       1.47006414       3.93025183       6.49302534      -0.76064900       0.47968100       0.91601800 
O       1.30998528       9.53575943       6.11416021       4.40177616      -2.60713512       0.40128356 
O       6.26743572       1.73410951       4.12534452      -0.63863115      -2.31798973      -0.15647241 
O       6.44640533       9.31795561       9.25251412      -2.07781327       1.78441255       0.23017832 
O       8.81200212       0.86420617       6.34693069       0.11785276       2.48975840       0.58864805 
O       3.91834381       4.24781036       8.78189244       0.73314683      -3.33527263       0.39507057 
O       1.91158738       8.15972792       8.28155219       2.75771038       0.46818090       1.70969457 
O       1.18999040       3.74286446       0.94323027      -1.13675117       2.80935701       2.90935531 
O       4.19393078       9.17509198       6.47898347      -1.12074074      -0.07294822       1.22852133 
O      10.44849967       7.85192022       9.92898251       1.45230487      -0.80589883       0.26288682 
O       0.65990563       5.75556328       8.34357970       0.19434004      -1.91968981       2.83138150 
O       0.64858570       9.48864572       3.28329372      -3.25661936      -0.33630538       3.04952308 
O       4.23836671       6.72464936       3.82992639      -0.95147471       0.44602208       1.26140921 
O       3.76744454       8.72139968       1.31701313      -0.89956184      -0.00704458      -3.43118316 
O       3.22754530       9.35750643       3.78996131       1.99912215      -1.49843506       2.19989791 
O       1.34731434       2.88729657       9.34322530       0.73067397       0.70758159      -5.13979585 
O       8.92368966       4.07250947       1.10885161       1.44284296       2.67272021      -1.94994786 
O       6.15497347       0.67205888       6.62889755      -1.46484121       1.00955797      -0.80251353 
O       6.53730375       4.22457236       9.01012896       0.18483756      -0.12868930       1.45032376 
O       3.27103268       1.64713895       7.05458438       2.80039267      -0.76394988       0.71511340 
O       4.23410728       3.56862923       6.24171252       0.35290222       1.65363516      -1.59448559 
O       9.18355379       2.64177867       9.10848288      -0.96366198       0.18027326      -0.43250557 
O       8.61780074       6.31047744       6.33062760       0.70487517      -2.46311701       0.09797198 
O       9.19461824       3.31653595       6.27778218       1.93898913       3.57957378       0.24031842 
O       6.69778754       1.56473259       8.92700640      -0.42073028      -2.95447241      -0.49496443 
O       6.45144596       1.15037113       1.42097033      -1.16181752      -2.14670055      -0.08872464 
O       8.65293922       1.73115312       1.69669588      -1.15758205      -2.11358751      -2.62327154 
O       6.89498247       8.63647432       1.31977003      -2.80866214       0.69444318       0.35490686 
O       9.56975260       8.75346310       6.33070588      -2.95933566       0.92843248       0.71083483 
O       0.81099580       6.69252273       5.76312114      -0.81754778      -1.33404424       2.36733403 
O       5.80007425       6.25118882       6.87898332       0.17183512      -1.17133116      -1.25165194 
O       8.68805782       6.10149924       9.05293708      -0.82209999       0.08299982      -0.53051794 
O       6.68838042       3.40413731       6.57322804       1.10057486       1.54286679      -0.35345965 
O       6.76144883       8.73517865       6.90713509       1.00507293      -1.26514307      -0.51591655 
O       6.05615140       6.85408789       9.39553045       0.62561790      -0.98746869      -0.57706503 
O       3.73382470       6.45099235       9.28208218      -1.92926480       1.97720877       0.23732939 
O       5.87285275       6.06781985       1.39841797       1.79821173      -1.45343341       0.06308825 
O       8.72114640       6.89630404       1.32464089       0.38405553      -0.91087030      -2.75005020 
O       8.78924473       0.95689358       3.96712635       1.30275418      -0.55494157       0.61642830 
O       8.53154250       8.69083828       3.97189077       3.66342279       1.64084436      -3.99248164 
O       9.06874732       9.65974967       1.11802523       1.75783335       0.04024277       0.04740125 
O       6.17795557       4.10705128       3.92354718      -0.65874038       0.62923113      -0.14064355 
O       6.68455994       6.55779584       4.05382971       0.81120771      -1.16139270       0.76243371 
O       6.23785646       8.96580764       4.16104588      -2.08585178       2.07034809      -0.31898327 
O       8.97500796       9.42786599       9.00146578      -1.10582242      -0.52930328       0.52867126 
O       9.49427141       6.02079479       3.23658967      -0.19399261      -2.05547104       3.55659983 
O       8.99012973       3.47695317       3.52526431      -2.40895413       1.96140872       3.18996736 
O       3.44608039       5.56634308       1.06150744      -0.80098866       2.58105850      -0.34769538 
O       3.47630584      10.06744082       9.42859757       1.11306437      -0.10272355       0.04283712 
O       4.98112780       2.53889666      10.31397247      -1.75069815      -0.02872911      -1.22197326 
O       3.29954826       6.59299681       6.64835150       2.00326918      -2.77899187       2.65934663 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04178407912766368 0.007986444093542475 0.018612198575903724 0.007986444093542475 -0.022661808853427504 -0.001999910776628404 0.018612198575903724 -0.001999910776628404 -0.013433377494457072" pbc="T T T" energy=-922.74473083 free_energy=-922.74682592 config_type=crystal 
Hf       0.13191933      10.06077625      10.21732810      -3.37103574      -0.71665625       1.17714769 
Hf       5.36684893       2.58772347       2.60397497      -0.21822344      -0.65123932      -1.72067833 
Hf       0.09846046       2.44388512       7.68015921      -0.78662793       4.15108389       3.51971015 
Hf      10.30380487       0.04231935       5.38889054      -1.12478746      -3.93848377      -1.06912830 
Hf       7.34901324       5.31331672       7.55554245       2.31479760       1.56550330       2.31080001 
Hf       7.66460696       7.76044208       5.26536771       2.48640369       2.23149065       1.30319680 
Hf       7.45218967       2.85641573      10.12993031       1.35223633      -0.95202236       4.34173017 
Hf       7.87440895      10.36700366       2.46751770       1.23703411      -2.11848425      -0.48874937 
Hf       2.82504570       2.78707988       4.85644355      -1.58071202      -0.57127432       1.55947354 
Hf       5.41067572       2.19200838       7.50541438      -2.18636174       0.76208002       0.71603684 
Hf       5.16413392      10.32998649       4.94994910      -6.62710696       0.62104309       2.33557185 
Hf       2.73093018       2.38359018       0.11955017       0.68707539       2.90199756       0.39331531 
Hf       2.16867116       0.01341233       2.49596336       0.67626620      -1.01364052       2.14373087 
Hf      10.29541548       2.47183877       2.20453024      -2.96745539       1.80036214      -0.67679857 
Hf       2.61625684      10.33868087       7.62430926      -2.01958728      -2.02718264      -1.40931157 
Hf       7.82336142      10.21531755       7.58142798      -2.39763629       0.55834630       1.99214396 
Hf       2.35284195       5.04269449       7.90357615      -0.33962822      -1.74651531       2.36587426 
Hf       4.95163322       5.22228339       5.24186827       0.38752493      -0.66335078      -1.37558231 
Hf      10.27972214       4.76885003       4.97511497       0.97944664       1.53237975       1.85681762 
Hf       2.72744211       7.42414245       5.00424084      -7.64960694       5.37118115       5.26800789 
Hf       4.96108158       4.96326922      10.30884299      -1.68382120       0.57479875       0.68197181 
Hf       4.95457453       7.50417487       2.25000808       2.88991717       3.64831180      -1.71549101 
Hf       4.85293737       7.60642870       8.07000736      -1.20239267       2.66448187      -1.30214607 
Hf       7.79499854       7.94331056       9.83087738      -2.78074426      -1.02403742       3.76990854 
Hf       7.49949993       5.37469387       2.74341385       2.61813297      -1.80001132      -1.95256258 
Hf       1.94762093       5.03254919       2.42247850       1.21897878       1.46802479      -1.69360237 
Hf      10.33804463       7.85175988       2.49006890      -3.36846362       2.51904937       1.22690886 
Hf      10.08015076       5.61537126      10.43342175      -3.08578294      -1.92213465      -0.28659169 
Hf       7.91384098       2.50059926       5.07077719      -1.38727235      -2.28406169      -0.06944274 
Hf       0.21989088       7.63131397       7.70020229       0.07326649       1.02100060      -1.11358632 
Hf       5.34619870       0.26703599       0.05577082      -0.93814520      -2.01082121      -0.68617017 
Hf       2.46897354       7.82287317      10.44956994      -1.65432593      -1.13961623      -0.47224565 
O       1.40599498       9.21009754       0.95121933       0.32597557      -0.07178823       3.45738421 
O       1.10994930       6.32303856       0.94111024       0.68940678       3.00715199       1.87242302 
O       0.68784264       1.46356107       6.27661646       3.67227535      -0.06345146      -2.45972388 
O       0.96278438       1.41988970       3.34001393       3.19142527      -0.17255497       2.10424336 
O       3.51848305       3.28132995       2.19642857      -1.86077350       1.82889025       0.46960338 
O       0.12141566      10.38053782       8.35453865       3.34876169       3.06297137      -2.31899957 
O       3.17175480       4.87506040       4.35574336       0.04335090      -0.60259118       0.36840156 
O       6.58366127       3.93375727       1.35418834      -2.72041417      -2.67914529       0.74825530 
O       3.98232557       1.31899459       4.20642376      -5.17563695       1.92839147      -1.37182291 
O       1.07824006       3.81588599       3.68855807      -0.89370812      -0.99191486       2.23128522 
O       1.31091740       1.21367322       0.96991113      -1.78741768       0.26906498      -2.19928447 
O       1.31651232       6.99637033       3.55587669       1.53783672      -1.31640505      -0.68759695 
O       3.78431804       1.17482551       1.41837524      -0.20708022      -3.23902347       0.04673879 
O       1.37313205       3.92981382       6.70416041      -0.17587668      -1.09314376      -3.90168538 
O       1.68748709       9.49832580       5.94837235      -2.43597935      -0.58116483       0.67215522 
O       6.01723629       1.49439167       4.20560468       5.69548739       2.27115493      -0.90785705 
O       6.20460963       9.55307816       9.12836751      -1.04838791      -4.54697267       0.65480190 
O       8.48627169       1.09695551       6.28859283       1.32761524       0.53147561       1.83570633 
O       3.85135583       3.92763549       8.81831837      -0.50887359       2.93030991      -1.05288746 
O       2.15647804       7.99216678       8.48889745      -1.17092213       2.63492298      -1.99432620 
O       0.58479327       3.98370659       1.09934348       4.02969896      -0.34656107       0.33562883 
O       3.83373672       9.19629869       6.67247724       4.33423264      -2.11767062      -0.85160490 
O       0.12454213       7.96065242       9.65871896      -0.47952097      -0.03732025       2.02781604 
O       0.58583843       5.66488967       8.51461300      -0.99216650       0.78625103       1.77390950 
O       0.20512894       9.74034161       3.63113956       4.34731800      -3.19295066      -3.53695628 
O       3.99949527       7.07339905       3.83467543       5.56455964      -4.51214977      -1.44875752 
O       3.79554179       8.83959270       1.10403265       1.92137379      -1.87486086       1.04096118 
O       3.24915622       9.14368019       3.87212004      -0.36467712       2.59533581      -0.81450025 
O       1.50326533       3.27431184       9.04107333      -0.45801480      -2.74203950       0.94019402 
O       8.86371269       4.09135292       1.16140700      -0.56106328       1.86511482      -1.32064838 
O       6.00043113       0.57289341       6.54604397       0.50987102       1.84431976       2.57090201 
O       6.46702175       4.31823041       9.28993822       2.85720146      -1.95483762      -3.27322160 
O       3.32385862       1.55796713       6.91434003       1.28535048      -0.06762359       0.70037858 
O       4.32047394       3.46359924       6.13010452       1.38608002       1.92698512      -1.08161926 
O       9.08733069       2.64537559       9.11511489       0.07185399       0.07835718      -0.77325286 
O       8.71414640       6.40134583       6.41998498      -0.26210663      -1.27541167      -0.06117542 
O       9.41292193       3.47559278       6.18669715      -0.38746159       0.55877833       0.89083283 
O       6.69644787       1.11035016       9.08266549      -0.02130998       4.88693338      -0.59546110 
O       6.39772557       1.16170414       1.50520786      -0.62519117      -0.35706752       0.51130654 
O       8.64890649       1.53525485       1.64617752       1.55589842       0.42001882      -1.58502434 
O       6.71330526       8.76384138       1.31162774      -1.56890058       0.92359639      -0.02867777 
O       9.21589938       9.17246632       6.64621461       2.24132373      -1.89039432      -2.14848348 
O       0.85847404       6.68037692       6.13652428       1.17596291      -1.50799163      -1.86743822 
O       6.15076773       6.41484597       6.42822721      -2.48232636      -0.81911111       1.12846450 
O       8.53104536       6.09993088       9.16142961      -0.17584228      -0.06966944      -2.40612607 
O       6.94482985       3.54834459       6.68963186      -1.84981563      -0.77924551       0.17807396 
O       6.91049726       8.57535307       7.08584127      -1.50583202      -1.70844623      -1.45345394 
O       6.09660253       6.55827729       9.21782662      -0.22803933       1.25176165      -0.68055320 
O       3.57007870       6.59428039       9.41744343       4.04093008      -2.55474895       0.07421028 
O       6.13028213       6.08610796       1.60301136      -2.57535901       2.06120354      -1.61827586 
O       8.64440404       7.02027419       0.93560931       2.58642935      -1.56477831       2.20532173 
O       8.86319074       0.69131418       4.05177414      -1.94355261       1.62603479      -0.43426626 
O       8.80810870       8.49844419       3.67881917      -1.88711116      -1.33843849       0.16398658 
O       9.29166912       9.53674513       1.11594518      -0.52598310       0.08397529       2.04440353 
O       6.15463949       4.25917802       3.91441553      -0.43834824      -1.06524422       0.45775297 
O       6.62061879       6.79251356       4.05069958      -1.38431046      -3.23364432      -2.51571838 
O       6.19088719       9.14979810       4.12401615       3.47040235      -2.51854650      -2.53689774 
O       8.67688987       9.45533160       9.18766638       1.10474380       1.52620313       0.27001809 
O       9.48018861       5.92901166       3.63516507      -1.36775894       0.64692535      -1.52738969 
O       8.90859133       3.39142506       3.72706824       0.96412202       1.57748499      -1.00538962 
O       3.36175202       5.56996836       1.16895313       2.66694718       1.30158613       0.23380207 
O       3.71012891       9.92347562       9.27925223      -0.72515096       1.70728496       0.48671524 
O       4.77770235       2.62337752      10.17747878       1.51427187      -2.94960538       1.30692155 
O       3.36225744       6.42894509       7.01576514       3.77096944       1.01262184      -4.37922775 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.021213829055269164 0.017003345983414315 -0.0032064161674228322 0.017003345983414315 -0.02884346579525373 -0.009268095893563548 -0.0032064161674228322 -0.009268095893563548 -0.025390867712005" pbc="T T T" energy=-922.2386385 free_energy=-922.25359983 config_type=crystal 
Hf      10.26361466      10.22339756      10.17858317       4.64009575       0.64342850      -1.09027742 
Hf       5.38533873       2.43527887       2.78901445      -0.93158326       4.59239438      -1.04410825 
Hf       0.05496137       2.34806633       7.80302643      -0.56793337       1.55368153      -1.06423722 
Hf      10.35516555      10.23701272       5.26607198      -2.48920370       2.98655897       1.63169185 
Hf       7.52499653       5.62017336       7.62503122      -1.92984155      -1.67755585      -3.54558615 
Hf       7.66084195       7.57939367       4.95403207       2.17812252      -4.61356457       2.31560213 
Hf       7.71131666       2.71166316      10.31644218      -8.20866761       5.59413222      -6.04757781 
Hf       7.84595533      10.07927055       2.55912437       1.25760653       1.59096529       3.79070722 
Hf       2.48494413       2.80927565       4.81016065       0.01089756      -1.00685621      -4.51321174 
Hf       5.33473434       2.24523298       7.69185487       0.23704296       4.10901076       0.44711573 
Hf       4.91216109       0.02404023       4.90157233       1.30225819      -1.13018030       2.55543720 
Hf       2.98171226       2.07520977      10.24034045      -2.18896790       4.26495461       0.21033434 
Hf       2.39211658       0.00287548       2.57574260      -3.72253717       0.75786260      -0.34341215 
Hf      10.35643196       2.51724816       2.24278651      -0.00459336       4.13511662      -0.60268316 
Hf       2.33385312      10.27234839       7.48176778       1.95844088       5.47440274       1.82637333 
Hf       7.43740763      10.22006177       7.83344832       1.84831263      -2.18060381      -6.25286417 
Hf       2.23691036       5.11655049       7.83243415       3.65641730      -1.25817627       2.67827235 
Hf       4.95136528       5.07214261       5.35304014       0.31203434      -0.91032919      -0.69304504 
Hf       0.27668101       5.11621494       5.41791540      -2.44230460       3.88309151      -6.47445036 
Hf       2.77722344       7.84887288       4.97565325      -0.87785346      -3.13255423      -1.77422686 
Hf       4.96797368       5.06004253       0.00029860       0.26982623      -1.68135467      -0.07092396 
Hf       5.18383717       7.66113176       2.39081291      -0.24347950      -5.01125011       4.16880376 
Hf       4.91920914       7.84258594       7.99639910      -2.84213897      -1.11317901      -4.16561699 
Hf       7.50714298       7.84515853      10.32509846      -0.08336079      -4.38036078      -2.36554482 
Hf       7.58975939       5.09034689       2.58803578       2.25162982       0.23707997       0.88887927 
Hf       2.20660747       5.13206653       2.17475506      -0.62755288       1.93348867       4.62635544 
Hf      10.25101713       8.05679734       2.25734238       4.61583544      -4.65016929       0.51024912 
Hf       9.60037848       5.40067799      10.30274203       3.87665313      -1.37719581      -0.44921370 
Hf       7.76133903       2.59300785       5.16996181       0.90090376       0.85439595      -0.11854712 
Hf       0.26886150       7.83854986       7.58964071      -2.74686863      -3.14025490       0.04154766 
Hf       5.39005176      10.42762755       0.16405214      -1.73150842       3.85450144      -0.46259904 
Hf       2.30854533       7.82131140      10.40334859      -0.85162288      -0.57396449       0.21820637 
O       1.47004865       9.36475030       1.09085717      -0.40896298      -1.32813936       1.49295523 
O       1.12350628       6.49450212       1.17261735       0.32339589       2.06830951      -2.16752789 
O       1.18900459       1.11909844       6.23143827       1.01497186       0.98150271      -1.75658704 
O       1.28108632       1.71345938       3.26327000       1.16048014      -2.88524793       2.50846414 
O       2.78683623       3.70798302       1.27502210       1.84179147      -5.14318328      -3.29935546 
O       0.80650036       0.56805928       8.59483119      -3.13121556      -0.71510417       1.10405885 
O       3.76177730       4.17909589       3.73397761      -1.37023944      -0.85545684      -0.63249286 
O       5.94321398       3.58592002       1.25225132      -0.70049032       0.58222687       0.18447924 
O       3.63867511       1.51363231       3.28663872       2.28910552      -1.46435575       2.78373163 
O       0.86521197       4.14777547       3.62122618       0.90088317      -0.79582563       0.48403763 
O       1.36218870       1.25559537       0.82937078      -1.78741524       0.56933159       0.28682185 
O       1.32708810       6.79747172       3.68273991       1.56106016       1.08121261       0.01024052 
O       3.77616310       0.18130494       1.28063670       3.65680812       1.32462419      -2.47590670 
O       2.03215528       3.96851238       6.16169371      -3.04329205       2.82750547       2.91957930 
O       1.38367005       9.02036888       6.44564318      -1.55788393      -2.05330257      -3.90511823 
O       6.24235431       1.60121420       4.30456092      -0.79025619      -3.26415145      -1.52418433 
O       5.90826786       9.14433192       9.11800723       0.37351106       1.33380578       2.15860892 
O       9.28832297       0.98040778       6.94704606      -3.59679705       0.24154687       0.32293841 
O       3.58493777       4.10638814       9.19888447       0.51419212       0.32997637      -0.34442869 
O       2.29537550       8.64353262       8.51231588      -0.81433806      -1.46594845       0.58720002 
O       0.14114079       4.05519115       0.80150620       0.74951683      -0.26090249       3.35264870 
O       4.40703402       8.58503211       6.05346012      -1.49208093       2.71611050       0.46926670 
O       0.22203593       8.32808345       9.84135760      -0.62571794      -0.18026679      -1.95895815 
O       0.67622767       5.84712233       8.78811742      -0.11583885       1.82594798      -0.95094677 
O       0.95883381       9.31237995       3.99671963       2.69199214      -0.13811032      -3.14340899 
O       4.60419462       6.70773295       4.33101058      -3.45516363       1.98830932      -0.38502993 
O       4.07504501       8.13997140       0.97085329      -1.71958600       1.70035477      -3.56956126 
O       3.78342004       9.04366497       3.44653316      -0.54612557       1.91343812       1.64784639 
O       1.44638656       3.16110628       8.85006665       2.20331409      -0.68596105      -0.22955238 
O       7.90149641       4.66232222       0.62299072       1.49909173      -1.98891232      -2.01508837 
O       6.31207071       1.08863530       6.48990317       2.02341399      -3.00021330      -0.91541536 
O       6.19074411       3.97635575       8.83121639       1.25876048       1.13696399       1.30234430 
O       3.95265996       0.77830776       6.73843209       0.44476252      -0.47252892      -1.54017408 
O       4.15862421       3.22748271       5.66757216       3.19527994      -2.63139194       3.80432020 
O       9.52082395       3.61612925       9.23548205      -3.78129376      -1.72801884      -2.13347400 
O       9.27653907       6.54398611       6.31270549       1.06354277      -0.83747292       1.22172022 
O       9.92942408       3.74686538       6.31320671      -2.63927154      -3.61284870       1.91215264 
O       6.71475032       1.11937150       8.89662533       2.70305231       0.55799976       0.91995452 
O       6.64687178       1.25326685       1.33885064      -1.02238418      -4.09320043       1.58218704 
O       8.83593906       2.12616520       0.96732367       6.56534223      -5.47035719       4.45058296 
O       6.87404160       8.54476822       1.59377724      -0.24775061       4.29221171      -0.34239742 
O       9.22637677       9.04688479       6.33549281       0.30394588      -0.90957814       0.88890541 
O       1.49559695       6.47360060       6.14001308       1.04303691       1.91530898       3.36508923 
O       6.76884948       5.81567653       5.68250753       1.07602021       2.01470112       2.06403547 
O       8.56003087       6.85547560       8.67515321       2.25275703       0.61977287       4.02949105 
O       6.69715706       3.67287981       6.60040353       0.59689679      -1.93612009      -0.41745715 
O       6.86403926       8.04874371       6.97792481       0.01796627       2.19567064      -0.98567501 
O       6.16214480       6.65617833       8.67935989       0.82741550      -3.01394683       3.40764802 
O       3.48163502       6.86036290       9.05340869       0.62550564      -2.18921097       2.92829504 
O       6.28665721       6.36733193       0.83493807       0.13460817       2.05089429      -1.64428635 
O       8.91295532       6.74679029       1.17914941      -0.27198521       3.35524479      -0.06007028 
O       8.89985478       0.77579650       4.02525436      -0.19888082      -2.82972394      -0.08208857 
O       8.94317323       8.47333934       3.56247207      -1.43473381       1.79281458       0.18931152 
O       9.44111023       9.67979307       1.39190235      -2.76504297       0.83301164       1.97965150 
O       6.71192644       4.03522321       4.01506960      -3.19617810      -1.81388778       0.05003810 
O       6.69460006       6.60786677       3.27089431       0.24479991       1.79887417       0.47315126 
O       6.49411079       8.96294043       4.31244762      -2.47642480       5.26796940      -2.05758581 
O       8.49187173       9.63577391       9.30537565       0.90043186      -0.56316780       2.55595056 
O       8.97810312       5.87982910       3.89151716       0.58596451      -0.71175071      -0.31903177 
O       8.66296113       2.93096040       3.38558785       1.39139661       1.78699872      -0.68786896 
O       4.22744544       5.64377276       1.99018079      -0.55499655       2.39898114      -2.70500719 
O       2.91600630       0.41834814       9.32255498       3.41603163      -0.81862670      -0.44117013 
O       5.17306012       2.03710370       9.84864114      -5.00382368      -1.64157424       2.06784685 
O       3.98787130       5.99495155       6.95715212       0.56184976      -0.57705434      -1.68330644 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014158845126995378 -0.010619916399419227 0.01596650347277368 -0.010619916399419227 -0.02113365859944522 -0.01214849330424083 0.01596650347277368 -0.01214849330424083 -0.013965110886980683" pbc="T T T" energy=-930.31684111 free_energy=-930.31689149 config_type=crystal 
Hf      10.18992770      10.35093229      10.29981976       1.10101969      -2.14994594       2.54674734 
Hf       5.34132480       2.43356587       2.83240302      -1.84485971       0.63779707       0.17249909 
Hf       0.01758363       2.36591936       7.73873371      -2.40100635       0.57449310      -1.24189339 
Hf      10.42268573      10.18261726       5.27014836      -4.74795173       1.87257024      -1.99020727 
Hf       7.65979523       5.63562409       7.59638073      -2.45671493      -1.61800627       1.53464567 
Hf       7.76546993       7.46822944       4.90346347       0.77207743       3.21816260       0.51836065 
Hf       7.66151388       2.69304254      10.38762793      -2.23077229      -2.12172521      -0.10114536 
Hf       7.82106880      10.11156945       2.67848039      -4.77780987       1.61707310       1.05523550 
Hf       2.39238430       2.75968743       4.75312237      -0.16715986       0.31205409      -0.60375267 
Hf       5.25188243       2.37218129       7.76072613       3.57464682       2.63033202      -1.80359653 
Hf       4.79039146       0.04271989       4.90558382       3.11298470      -3.52757638      -5.58572072 
Hf       2.98724313       2.01914129      10.13387533      -5.99936485       3.26483672       1.56241610 
Hf       2.42473637      10.43889871       2.58819309      -0.33642221       4.71265827      -4.02487025 
Hf      10.38962143       2.58705039       2.25255461       1.62320526      -2.35393477       2.70274430 
Hf       2.34866897      10.35784678       7.42003007       2.05438278      -0.44489146       1.99116805 
Hf       7.46923304      10.15486697       7.84846994       2.10748730       0.32796910      -3.07540008 
Hf       2.37370465       5.10807214       7.89618199       1.88563236      -0.81731995       1.91867181 
Hf       4.89017988       4.91214927       5.29733117       2.44160824      -1.07585352      -1.69140142 
Hf       0.28889203       5.32124560       5.48300502      -0.56861048      -1.46922042      -5.90312175 
Hf       2.68450589       7.97592648       4.98344324      -0.38661053      -3.06282215      -5.31632615 
Hf       4.98641857       5.13212974       0.00173927      -0.45318737      -1.47883577      -3.80602223 
Hf       5.22331201       7.65302045       2.46740498      -0.54144785      -0.88920880       0.78206725 
Hf       4.83979758       7.86775244       7.85926645       0.87297739      -2.50044772       0.12211098 
Hf       7.44523928       7.73684498      10.45686415      -0.59630438      -1.26199679      -1.60032957 
Hf       7.73087203       4.97655722       2.52996574      -0.53163700       0.53466324       1.97383400 
Hf       2.35151829       5.15437659       2.18637484      -0.77702352      -2.26773184       0.01453267 
Hf      10.33875821       8.03043194       2.24112468       1.38937836       0.48867594       2.13826346 
Hf       9.58701136       5.32723217      10.32825601       4.15232588       1.83804804      -2.22381687 
Hf       7.81422338       2.61473579       5.14361284      -0.36830673      -1.31802039       2.13608425 
Hf       0.19871713       7.76739132       7.44334521      -2.10546269       0.76863170       4.65908560 
Hf       5.30160316      10.45696808       0.20147016       2.35423087      -3.23200740      -5.18995208 
Hf       2.26156716       7.77454905      10.35833451       1.89587428       2.95921808      -3.58412095 
O       1.19323336       9.36921016       1.31963983       0.97646733      -1.54933591      -1.56426636 
O       1.15834941       6.83370246       1.05825852      -1.68260510      -4.66531743       2.92333648 
O       1.42894296       1.11000205       6.08486290      -0.58832407       0.94770229       0.93510963 
O       1.26434333       1.58001167       3.64759588      -2.06867831      -0.17554348      -0.59325794 
O       2.88540679       3.63980369       0.83259511      -0.46720106       2.39197725       3.88045939 
O       0.36452341       0.60781849       8.62049599       1.49287010      -0.08566768      -0.57295912 
O       3.88410782       3.76240915       3.43510250      -1.89329483       2.23690562       1.73977136 
O       6.06593646       3.58181801       1.43195105       0.53918222       0.44019691      -1.70826591 
O       3.58541137       1.44745505       3.54678209       1.79744039      -1.64875645       2.42831544 
O       1.13031747       4.16762085       3.65371368       0.92030410      -0.43473681       0.19605313 
O       1.33683695       1.35168409       1.14296650      -0.18800910       0.26177106      -1.49410357 
O       1.33381023       6.88399548       3.72837013       0.40056413      -0.85666496       0.02988259 
O       4.09781088       0.56375569       1.31428427      -5.61835198       3.25471401       4.00621795 
O       1.62450904       4.15107797       6.23388861       2.34360711      -0.41330382      -0.75525357 
O       1.38724227       8.92708511       6.06361924      -3.14531136       2.81698399       3.31001247 
O       6.09086810       1.23682016       4.17945655       2.53697066       1.94279686      -1.03429784 
O       5.69612793       9.45799891       8.82684487       0.30348895      -0.84993646      -0.54787536 
O       9.06952800       0.88160518       6.71819988       1.78341165       1.17277671       0.07121090 
O       3.45042104       4.02676474       9.17841238       3.46236743      -0.72548664      -0.94074342 
O       2.26607318       8.65038003       8.56710895       0.36477928      -0.69185450      -3.30568570 
O       0.08206861       4.07125426       1.09749714       0.62846072       2.66845640      -0.78831795 
O       3.98048310       8.76265723       6.20105321       0.41855962       0.31710963       1.31245023 
O       0.26465629       8.55039778       9.67169474       0.23000921      -0.78850440      -0.37930413 
O       0.75722172       5.95230430       8.73453058      -0.78724651       0.57070755       0.79589933 
O       1.35843175       9.49649338       3.72255166      -2.15465389      -2.65208809       4.20154153 
O       4.29697335       6.79816688       4.30314820      -0.14554499      -0.91752259      -0.54095858 
O       4.00093479       8.51376870       0.50822360       1.51544011       0.36656872       1.60667311 
O       3.89018439       9.25715818       3.31814889       0.44624405      -1.46480983       1.64284667 
O       1.52996932       3.23776534       8.46570152      -0.16223833      -1.53049035       0.87519920 
O       7.96610814       4.50869034       0.44024636       0.10602235       2.44500173       2.29739312 
O       6.79831424       1.34269666       6.54072808      -2.67756619      -1.78898852       1.11013646 
O       6.20251252       4.04636647       8.97458240       0.28426207      -1.84143731       1.41189055 
O       4.10061027       0.61449457       6.42974136      -2.66638075       2.84479233       6.33846538 
O       4.16584788       3.09637106       6.09825661      -0.86570459       0.60998024       0.01793598 
O       9.22120762       3.91256270       8.91168336      -0.56232691      -1.40295131      -0.51478236 
O       9.45339420       6.39063744       6.39891107      -1.88143988       1.08036896       2.15816553 
O       9.84812358       3.32560072       6.16161385      -2.61719216       2.03385516      -2.70618686 
O       7.10582596       1.27714350       9.07810798       0.40539460       0.08088108      -0.21308410 
O       6.63108771       0.78335530       1.29191089       2.01939957       2.23761730       2.13041036 
O       9.07977671       1.69907401       1.11737204      -1.09629156       0.32354276      -3.78336585 
O       6.77814609       8.72150225       1.61327556      -1.79662799       0.21523088      -2.08363060 
O       8.93722717       9.07101525       6.29858773       1.47344118      -1.67838191       2.22549645 
O       1.49987334       6.72686244       6.52735647       2.47611506      -2.29620442      -2.17417203 
O       7.10346070       5.87259612       5.74923521      -1.46555914      -1.76692769       0.16693788 
O       8.62687085       6.92782531       9.03312551       1.40487703      -2.75680853      -0.86020710 
O       6.60090654       3.71834749       6.65971590       0.66499765       0.42263939      -0.33505126 
O       6.56003854       7.99632385       6.66557719      -0.30590210       1.08128239       1.51272043 
O       6.17516810       6.45430846       8.94476974       0.03211274       1.74117508      -0.48151059 
O       3.60555995       6.47335307       9.21225033      -0.38913273       0.82132728       0.90586300 
O       6.15488796       6.43231636       0.98247287       1.35570783       0.57057343      -0.81240217 
O       8.70901178       6.87073145       1.34097905       1.95871234      -0.50753643      -0.67075629 
O       8.83073348       0.59714213       3.83643208       3.28864534       2.97175586       4.86813712 
O       9.43404764       8.61130520       4.08432486      -0.33781441      -1.82380138      -2.40610361 
O       9.36480305       9.81521178       1.69185401       1.88566393      -3.16551337      -2.14611051 
O       6.28706539       3.93010541       4.11922190       2.12261181      -0.94213594      -1.71316645 
O       6.89083325       6.69559603       3.25994698      -1.02714291      -0.24890861       0.52702023 
O       6.45618547       9.23544176       4.08436076       0.26231821      -1.90596414       0.68771090 
O       8.51474006       9.32873736       9.43465457      -1.89015157       2.16541911       0.11616742 
O       9.14861186       5.61688697       3.81137966       0.02925996      -0.07324176       0.36231364 
O       8.51508974       2.94075405       3.22971725       0.01240225       2.36476467      -0.17208660 
O       4.15251687       5.81246477       1.72421299      -2.18737676       1.52476325       1.21851449 
O       3.17149430       0.29969597       9.17274514      -1.07819891      -0.11120678      -1.81215202 
O       4.77316535       1.82189204       9.79855315       5.16762448       0.73855881      -1.38502119 
O       4.24018689       5.81172910       6.79297690      -1.42728286       1.93316151       2.39608791 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.019121708613312954 -0.0036866777940191505 0.01834473104177754 -0.0036866777940191505 -0.023992923539731634 0.002222310052322541 0.01834473104177754 0.002222310052322541 -0.03678455441483871" pbc="T T T" energy=-930.79317232 free_energy=-930.79341484 config_type=crystal 
Hf      10.43445057       0.05934963       0.26802075       1.62272138      -0.49298469      -5.71601818 
Hf       5.35702881       2.72555150       2.44183301      -1.50922074      -4.98099911      -0.92292856 
Hf      10.15393129       2.52459669       7.37340441       1.53817094       0.59990507       1.51594419 
Hf       0.08694555      10.44604953       5.17839935       1.16956157      -2.85751273       0.35521203 
Hf       7.97162885       5.14501206       7.56486857      -2.59072371       1.18803263       4.43876672 
Hf       7.50230592       7.84026988       5.18058103       2.40845988      -1.43404565       1.52310787 
Hf       7.65219792       2.80572112      10.39336550      -1.00414394      -1.43771727       0.85561354 
Hf       7.15348715       9.84037828       2.77784241       3.76638704       3.59931570      -2.39155549 
Hf       2.54194347       2.34757557       5.20317975      -2.16942453      -1.10460108      -3.68904326 
Hf       5.24782709       2.55802458       7.59376219      -0.57014156      -1.85053001       3.01852352 
Hf       5.22626149      10.46540530       5.36057832      -2.21881185      -3.27938163      -1.08399758 
Hf       2.28464325       2.82296513      10.28327458       0.65893211      -0.37081459      -4.01088956 
Hf       2.80711846      10.46574545       2.35225804      -0.58233433      -0.35188717       1.79690474 
Hf      10.07305206       1.63112242       2.58184691       2.89472907       4.44278102       0.48344233 
Hf       2.75116114       0.29761718       7.90241755       0.74316262      -2.56344299       2.72045102 
Hf       8.18314280      10.16995159       7.73331076      -2.57778769       1.11407172      -1.35282836 
Hf       2.17371671       5.27957443       7.80213439       2.15797266      -2.58563601      -0.46662586 
Hf       5.00413031       4.95311115       5.29501867       2.00244151       2.95330630      -0.31113727 
Hf      10.38882862       4.93153916       4.93194828       0.34833012       0.04418063      -0.94966613 
Hf       2.44970370       8.05539707       5.22218386       0.74347330      -0.31482374      -2.83831725 
Hf       5.21986696       5.29186782      10.25969319      -1.95143888       0.51326062      -2.11696446 
Hf       4.34783458       7.47779816       2.55614705       5.99250696       3.55677415      -4.34076045 
Hf       4.99841064       7.50248646       7.85050624       0.36172746       1.96065214       0.20570796 
Hf       7.87478678       7.36898987      10.11705688      -1.31241402       0.34205728      -1.10479208 
Hf       7.60211422       5.58752478       2.67481094       1.17810588      -1.65009458      -4.63983208 
Hf       2.43538301       5.12851911       2.68303507      -5.34330166      -2.06245292      -3.63289199 
Hf      10.13318038       7.67451908       2.03940616       4.32100402       4.64417225       3.77250823 
Hf       0.03256433       5.05522306      10.44791000      -0.29690470       2.50138070       0.88196680 
Hf       7.51631524       2.74264521       5.01022217       0.72781833      -3.36308165       0.99838320 
Hf       0.00883996       7.82155872       7.28754808      -2.42705782      -1.16270121       2.45894897 
Hf       5.47739388      10.12249125      10.19581598      -1.17312773       1.18510657       1.13091833 
Hf       2.22199027       8.03667785      10.28947654       1.91354230      -0.95313933      -1.97958143 
O       1.27899549       9.25131166       1.13622239      -0.58154219       0.37169874       0.90994322 
O       0.32622999       5.96729838       3.28667933       0.79578390      -1.01471286       1.35689858 
O       4.10749127       1.14125685       6.53122090      -1.63332492       2.81926885       2.41630017 
O       1.43633890       0.68888361       3.85658056      -1.21980782       1.39098749      -1.41060047 
O       1.40247509       4.08050324       1.12022931       1.05679592      -0.54087086      -0.25374505 
O       1.34576545       1.10681007       9.06442824       0.32544142       2.65964046       0.52657941 
O       3.89437307       3.96375759       3.10589634       0.82918572       0.17911522       1.72658750 
O       5.06884429       3.48205063       0.74327028      -0.35143352       0.40759565       0.85662826 
O       3.81440659       1.24593423       4.13672756       0.91037203       0.89184483      -0.66799843 
O       1.35475916       3.43293443       3.59790843       0.63547519       0.82666289       2.29913770 
O       1.88136528       1.43373219       1.06497834      -2.32931250      -2.47513984       2.79043530 
O       3.91487803       6.01151515       1.14439325      -1.29722093       0.68072660       5.47218248 
O       4.31369593       0.84315822       1.65144882       2.18078734       1.56503442      -0.51684493 
O       9.35611893       0.55018281       3.83499538      -4.03869835      -1.01875705       1.01724680 
O       1.13119422       8.87166166       6.20378835      -1.70446239       3.42097454       2.09879010 
O       6.50201267       0.95727424       3.96700829       0.48931157       2.66354704      -1.86784253 
O       6.05763174       8.42899635       9.39164718       1.65415127       1.34026668       0.81380672 
O       1.29453895       1.25933296       6.37918616       0.10561191      -0.41784676       0.90416442 
O       3.82319862       6.59997075       9.50020867      -1.26533914       2.37577594      -2.79047603 
O       1.45629418       9.01571237       8.67959988      -1.36669258      -1.57678860      -0.17061314 
O       9.50269984       2.18808104       0.68780925       0.93487577      -1.13015871      -0.40801437 
O       3.60105509       9.32792361       6.58902447      -0.89810646      -2.28782770      -0.11688268 
O       8.62102841       8.32020679       8.10412613       0.09179293      -1.44372328       1.46829197 
O       1.17582273       6.50302402       1.09108377       0.63951644       1.29145937      -1.09112030 
O       0.76992894       8.54928753       3.91475243       0.57776448       0.27109219      -0.40158674 
O       2.97045775       6.82382226       3.48423974      -2.84613069      -1.68929681       4.47778419 
O       3.65162557       8.95450048       1.19411607       0.95256111      -2.62594838       2.14244364 
O       3.61709705       9.21077512       4.08374556       1.05825704      -0.75463676      -2.45763975 
O       0.78066904       3.84779471       9.06696210       0.04804149      -1.77670536      -0.48349386 
O       8.13440265       4.05497377       1.41829622      -0.86115187      -1.80944665       0.45450342 
O       6.56730867       1.05360849       6.22107642       1.45274011       3.75836770       2.93680806 
O       6.07531804       3.95776496       9.10817308       2.28962033      -4.20174039      -2.35325521 
O       3.86000353       3.55638158       5.92753802       2.08350726       0.44242009       1.95200453 
O       1.32658635       3.87287350       6.45930450      -1.34032564      -1.22543511      -0.01694775 
O       8.68690068       3.14687214       8.60366917      -0.75653323      -0.36853214       0.96581679 
O       9.17751825       4.14639393       6.53511736       2.18795714      -4.22860399      -2.62642212 
O       6.60770873       3.77396247       6.58036965      -1.17243628       0.92603719      -1.87483225 
O       6.79264533       0.74233523       8.88685157      -0.65764521       0.07389144       0.61712666 
O       6.63322156       1.33240242       1.13425621       1.48397059       0.79348714      -0.25277870 
O       9.60572095       0.08787296       8.94377231      -0.87121245       0.98260207      -0.25963659 
O       6.57853901       8.80463497       1.33081469      -1.65812217      -0.27455167      -2.36121391 
O       9.11307043       9.10295306       5.83110832      -0.96442514      -1.26333929       1.02783054 
O       1.06473103       6.25444235       9.02145130      -0.90404328       2.72059535      -0.16987273 
O       8.95700766       5.84711595       9.27663201      -0.60040824      -1.05532983      -0.76915286 
O       9.10793016       6.32862384       1.37353950      -3.03426710      -3.14207611      -0.80345003 
O       9.08580660       6.37947963       6.55814049       1.27023623       2.45741167      -0.66687344 
O       6.05275459       8.87948316       6.71854443       2.25412189       1.95813184      -0.78308585 
O       6.31635631       6.28186275       8.62444269       2.04186580      -0.88502615      -1.09090569 
O       4.11336501       5.89621426       6.98508515      -2.60292416      -0.92096407      -1.62033221 
O       6.85844183       5.86977067       0.60307333      -0.67861286       1.94621163       1.01947177 
O       8.43467238       5.63586177       4.32146216       1.12272212       0.21538144       2.68608769 
O       9.21489075      10.32001408       1.65810910      -1.14923007       0.39398945       1.53326661 
O       8.32972685       8.35811432       3.27225356       2.58893596      -2.66550014       0.06922506 
O       9.56757856       8.29260899       0.11782681       0.61007961       1.53721955       0.40252017 
O       6.23578540       3.91296627       3.91668847       1.93328686      -0.97398642       0.15316305 
O       6.02982011       6.42063838       3.24496786      -3.90213081       1.33811997       0.97402397 
O       6.28878928       8.83923863       4.14047509      -4.47778634       1.64173174       0.95082538 
O       9.10018653       1.02889444       6.36253841       0.90430119       2.35520071       1.14406903 
O       1.43061567       6.27351721       5.97539169      -0.32069572       1.29995480       0.90586886 
O       9.36591351       3.04575327       4.34761113      -0.53847339      -0.12321255      -1.47607694 
O       3.70310033       9.33508030       9.41604829       0.82283933       1.80822392      -1.97644976 
O       4.12447949       1.57080382       9.17641448      -0.26863647      -0.43740638      -1.39194935 
O       3.32316429       4.09277548       8.94848231       0.56175149      -0.69025742      -0.15653187 
O       6.03393155       6.67819984       5.92269018       0.47916261      -2.73071847      -0.31874669 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.028903517276938663 -0.009130569963438579 7.504980314839457e-05 -0.009130569963438579 -0.04880637085501529 -0.0012151972976786056 7.504980314839457e-05 -0.0012151972976786056 -0.05715949934051116" pbc="T T T" energy=-922.91011517 free_energy=-922.91091456 config_type=crystal 
Hf       0.01484651       0.09343648       0.15263990       1.36886364      -1.27756575      -4.93623032 
Hf       5.39630752       2.70714292       2.38648429      -3.22694151      -7.00458285      -1.49513749 
Hf      10.23870521       2.50561801       7.38139577       0.89408355       2.85826050       3.51849714 
Hf       0.07474876      10.42980672       5.18054586       0.40285012      -2.70711188       1.96275388 
Hf       7.96399617       5.14229787       7.48810705      -1.48750573      -2.35584014       3.78738738 
Hf       7.52525662       7.83673481       5.16068656       1.46805388      -2.08035808      -0.00636105 
Hf       7.62430717       2.74965913      10.36537292      -0.25845543      -0.54440586      -0.06169155 
Hf       7.14465409       9.90498132       2.82570884       5.88522546      -1.41896395      -1.27948583 
Hf       2.49174894       2.37684922       5.24701984       1.44622710      -0.47454797      -2.66304918 
Hf       5.27766299       2.52680035       7.59926082       0.44171044      -2.04637854       3.48204066 
Hf       5.22319395      10.40784507       5.43040608      -1.99110678       0.50181320       0.06844029 
Hf       2.25070168       2.76811983      10.26898937       1.46471373      -1.45748740      -7.21538578 
Hf       2.82702842       0.01323859       2.36454976       1.59773862      -1.09901472       2.09416575 
Hf      10.12579312       1.71890788       2.53376497      -0.14356714       2.17381464       1.30066423 
Hf       2.76218675       0.30414955       7.85460554      -2.62106218       2.50191992       7.55145979 
Hf       8.16554870      10.13089770       7.80098238      -6.24562208       0.74925701      -3.78560310 
Hf       2.23679356       5.27633001       7.77051757      -2.50019321      -1.65248590       0.60489987 
Hf       4.98502877       4.96659057       5.32472666       1.16626619       1.49647788       0.31982565 
Hf      10.35780513       4.95132834       4.86073636       0.87986771      -2.07568410       2.13448221 
Hf       2.42021047       8.01824646       5.19236032       0.98581776       4.24015295       1.63862775 
Hf       5.27303598       5.25752738      10.27090071      -4.31476491       2.49160197      -2.97901851 
Hf       4.37008624       7.43122828       2.57905589      -5.26674751       7.26090986       0.61945434 
Hf       4.98706308       7.57332369       7.83242546       0.97387412       0.25935532       1.59978509 
Hf       7.88100401       7.36776836      10.13217730       0.21161193      -0.19101815      -2.12423395 
Hf       7.58516567       5.63956409       2.65000657      -1.62122229      -1.44633187      -2.86070679 
Hf       2.41848386       5.08147951       2.72160972      -3.08703989       0.88358259      -2.23491691 
Hf      10.11453317       7.65011389       2.02603548       3.76343780       3.00776569       3.01029352 
Hf       0.07826467       5.06047406       0.02369579      -2.56363470       1.15623873      -2.17911432 
Hf       7.50545195       2.70676823       5.01787871       1.92908711      -3.66678351      -0.48229656 
Hf       0.01873680       7.84783150       7.29156668      -2.38200250      -4.66345735       5.81563096 
Hf       5.45921597      10.15262783      10.22038622      -1.14852321       0.96427859       0.76574892 
Hf       2.24731220       8.12711482      10.34258769       2.15032681      -1.39384957      -2.26868718 
O       1.30377485       9.08521610       1.49548580       0.50658959       1.70817794      -1.57070547 
O       0.15691503       5.94856587       3.34113811       2.18678270       2.49761819      -2.87931629 
O       4.07661536       1.26575784       6.66544489      -1.47626731       0.77371813      -1.49303421 
O       1.46188197       0.64685742       4.02499124       0.43495245       2.67335254      -2.73991843 
O       1.51086233       4.06912742       0.91851193       0.97771764       1.35760430       3.89641552 
O       1.14500071       1.23443721       9.16097391       1.47153090       1.55164525      -0.03424495 
O       3.74179314       3.70323210       3.24211959       0.25454843       1.09575048       0.97615172 
O       5.28100097       3.64471610       0.80327133      -0.26049750      -1.70374164       0.29009662 
O       3.88829545       1.18672558       4.20862261      -0.67098890       1.51018433       0.32813725 
O       1.12548219       3.72528742       3.64275599       1.58038526      -1.44983049       1.01317430 
O       1.64471016       1.52484109       1.10351447      -1.86474466      -3.86783486       4.58956571 
O       4.00012774       6.03527824       1.45237636      -2.12212109      -4.80908853       0.84582137 
O       4.43507151       0.87297601       1.65010339      -1.80007409       0.20479931      -0.41034405 
O       9.32756190       0.47496620       3.85347440      -2.61525189       0.93925063      -0.63375536 
O       1.02351524       8.85749189       6.30078072       1.54553650       5.70748940      -2.04483673 
O       6.36055454       0.78179112       3.79910417      -0.74576592       5.45719290       2.57135480 
O       5.93745663       8.25870259       9.47696178       2.70703372       1.61915789       1.03230079 
O       1.31446241       1.37421750       6.47736801       0.08291784      -1.32196819       0.07752588 
O       3.72245108       6.70332992       9.89718159      -0.95248702       0.89138497      -4.10037628 
O       1.29591149       9.14911392       8.52820096       0.41118216      -1.79324627       3.31124381 
O       9.48389187       2.16107228       0.56006415       1.25476872      -0.95514727       0.37149952 
O       3.36316601       9.54061710       6.76254465       3.02284411      -7.50832600      -6.25579390 
O       8.73214177       8.21082244       8.16083640      -2.46870965       1.67522218       1.45859304 
O       1.09268625       6.48740489       0.92692718       1.16744787       1.77643657       1.97345456 
O       0.96955569       8.53998726       4.13288071      -2.77181146       1.30842401      -2.83327367 
O       2.67746705       6.95116661       3.70148969       2.57088718      -6.41152828      -4.50972652 
O       3.94192279       8.69037044       1.21659255      -2.31728173       2.67891222      -1.75102212 
O       3.59751971       9.23487208       3.79887161       0.60895909      -0.63238700       0.59453706 
O       0.78929173       3.76817247       9.00391330      -0.36807184      -0.39792508       0.24553240 
O       8.14698260       3.99357380       1.44437746      -0.83854398      -1.02745786       0.38079060 
O       6.51153147       1.06583312       6.56166666       0.51899772       2.19567606      -3.09083633 
O       6.18484829       3.97072305       8.93251068       0.61908291      -4.08365559       0.25332377 
O       3.97564395       3.54234076       6.14328147      -0.13935447       0.23710650      -0.45215335 
O       1.19141988       3.95038053       6.36115489       0.96404019      -1.00319985       0.34437542 
O       8.57402837       3.04845480       8.50588262      -0.08130937       0.31226199       1.07514122 
O       9.20255183       3.96132954       6.33728954      -1.79849860      -0.29719858       0.49829714 
O       6.50457207       3.63183650       6.35256632      -0.83945115       4.34565762      -0.18242078 
O       6.60790842       0.72462432       8.80491724       1.16874044      -0.75993240       2.06460455 
O       6.58932820       1.21805049       0.97749923       2.30054548       1.85265351       0.23561577 
O       9.54631438       0.01678998       8.81353950       2.72638265       1.91050244       4.24706354 
O       6.44293714       9.07719878       1.36807322      -0.60164149      -1.57844145      -2.69946874 
O       9.04929411       8.99323673       5.52434829      -0.58561055       0.67458757       2.87520078 
O       0.94816749       6.24235765       9.09868306       1.46029537       1.91298813      -3.25056322 
O       8.90583087       5.83523294       9.22699993      -1.07642450      -0.95213217       0.23506376 
O       9.03199945       6.24525648       1.40363830      -0.52206610      -0.50546826      -2.03737116 
O       8.99897158       6.49199212       6.71446156       0.99284814       0.16296872      -3.28691289 
O       5.96320348       9.14849349       6.99673320       0.85417523      -0.95710171      -1.32089851 
O       6.15084089       6.09171021       8.67197002       1.39510368       2.46167252      -3.28353654 
O       3.87993285       5.89841090       6.75608867       1.09005448       1.59400040      -0.20536288 
O       6.83846280       5.88410172       0.62426257       0.20608071       2.38475092       1.50315957 
O       8.49814025       5.53384385       4.26953526      -1.64126884       0.35175817       2.55342688 
O       9.38536024       0.02003587       1.68135526      -1.52736244      -0.31787364       1.19582956 
O       8.48196254       8.05002247       3.30513647      -1.43694374      -0.07737054      -0.95977812 
O       9.64902161       8.42823786       0.10089563      -0.96973357      -0.10662871       1.35052012 
O       6.34311744       3.78923695       3.56451853       2.82024959       2.26906679       4.28252992 
O       5.79312093       6.66525587       3.22671146       8.38638188      -5.82188749       3.90842433 
O       6.09899531       8.81847819       4.24921336       0.52578548       1.70988067       0.34833754 
O       9.12195728       1.15373277       6.60377051      -0.28445677      -1.71017343      -2.21442523 
O       1.61679785       6.38048146       5.95362241      -2.80873125      -0.78248839       1.94849107 
O       9.24610336       2.95658229       4.25875183       0.87146636      -0.29750725      -2.64080239 
O       3.76292984       9.41521654       9.35234346      -1.58958055       0.14319471      -0.91203462 
O       4.13540505       1.41081236       9.08819426      -0.73328761       1.28882607       0.77603225 
O       3.27842841       4.11696706       8.90653504       1.77224559      -0.95705774       0.81942952 
O       6.07300637       6.69240488       6.07439514       0.30869022      -2.13436691      -0.21245146 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02558676768078827 -0.012865617405968331 0.004199592275064111 -0.012865617405968331 -0.03747098008459468 -0.0018988140074600196 0.004199592275064111 -0.0018988140074600196 -0.040382070041500386" pbc="T T T" energy=-925.49296096 free_energy=-925.493711 config_type=crystal 
Hf      10.08336221      10.41626838       0.12843744       3.66775036      -2.08384796      -1.67189360 
Hf       5.26715817       2.30999123       2.59701159      -2.22804287       0.14796732      -1.76328070 
Hf      10.41045022       2.46651064       7.90247302      -3.02775485       0.75170012      -0.08028931 
Hf       0.03316456       0.18599243       4.98190816      -3.05334760      -0.27061197      -0.55729562 
Hf       7.92259795       4.94067741       7.64522052      -0.80556060      -0.79678716       2.62623145 
Hf       7.46350677       7.32166538       5.32226135       3.14887333       2.66850050      -0.22971389 
Hf       7.40517184       2.43100531      10.31310702       2.37007445       4.54328860      -2.73198370 
Hf       7.70039121      10.34569332       2.27764795       2.47157833      -4.10916006       0.28267518 
Hf       2.96827576       2.39231606       4.96937887      -4.28553188      -2.15532523       4.92931630 
Hf       4.48038429       2.52105848       7.73931856       2.03931233       5.49817752       6.07538989 
Hf       5.30457253      10.37675858       5.13680144       2.22635140      -4.59252529       0.19383729 
Hf       2.07392327       2.44236114      10.36584620       1.47629741       0.75218514      -1.47534752 
Hf       2.57301867      10.33067380       2.49805336       0.57095091       0.39114363       0.80094637 
Hf      10.26293865       2.51356322       2.37125231      -0.52395652       1.86253943      -0.37860105 
Hf       2.46531550       9.99585462       7.66118472      -1.75675475       0.68110766       3.93662628 
Hf       7.63328403       0.20348585       7.76670380      -0.58828026       1.01769142      -2.57680142 
Hf       1.88745891       5.10163448       7.42665193       0.02422525      -1.67024490       0.12755519 
Hf       5.11285540       5.15927415       5.10188944       1.33472219      -1.01357348       1.11526182 
Hf       9.65059237       4.79612035       4.91522172       2.08805044       3.36492534      -0.52247679 
Hf       2.66094584       8.15751526       5.06486358      -5.35475318      -7.44718522      -6.61799065 
Hf       4.95688641       5.11332010       0.36428059       1.01429179      -3.86565072      -3.59116949 
Hf       5.31245923       7.52061936       2.46759944      -0.44781659       4.45606382      -1.51636468 
Hf       5.23557463       7.45128864       7.88443515      -0.96462102       4.34030696       1.55627142 
Hf       7.70273595       7.87735623      10.05955317       1.25497338      -3.01943216       2.08775552 
Hf       7.90419010       5.06285281       2.24315126       3.54819982       3.78410191      -2.67129473 
Hf       2.18861649       5.46499844       2.86385563      -0.53047643      -2.40569548      -2.78534856 
Hf       0.10104331       8.27124696       2.55944348       0.70230358      -4.20762380      -0.85457481 
Hf       0.46053321       5.28030842      10.23183949      -6.85925644       1.80746207       3.36061686 
Hf       7.69684986       2.57496768       4.98767954      -0.80414676      -2.19198653       2.54736439 
Hf      10.35960332       8.03763457       7.47526649      -2.09986748      -4.59860984       0.94384943 
Hf       5.22159524      10.29866680      10.40776218      -4.37347128      -1.86848980       0.23718947 
Hf       2.88890282       7.47121743      10.12759499      -1.42044472       2.07116835       2.64621078 
O       1.32497696       9.30528041       1.43661625      -0.31744573       0.43413080      -1.20100658 
O       1.18912202       6.84835964       0.92281427      -0.51012998      -0.12616235       2.30652836 
O       3.71747336       1.01766044       6.91238965      -0.25188306      -0.46807740      -3.37407256 
O       1.50040732       1.47641974       4.07828084      -1.31294467       1.82714302       0.20720912 
O       3.98927000       3.25495806       1.33008478       1.74951805      -0.56508730       0.47060353 
O       0.02940835       1.87767783       9.72010427      -1.65682676      -0.68525581       3.94171259 
O       3.50104752       3.73601109       3.98336455       1.59314926       5.39276584      -4.79010860 
O       6.55514705       3.99459510       1.44105204      -3.35021152      -3.57303665       1.47883879 
O       3.84924794       0.89657101       4.12546226       2.40527330       1.65961364      -0.29083025 
O       0.39750868       4.26731674       3.14065899       1.09299210       1.08878990       1.67536219 
O       1.15715793       1.29329148       1.43168762       0.31758773       0.11500655       0.24199272 
O       1.61911915       7.10421008       3.58368560      -2.51098615       0.64411708      -0.78359241 
O       4.19018095       0.48487885       1.72625725       3.02882384       2.75288800      -0.52847214 
O       9.61536670       0.72733277       6.69548048      -1.58022892       2.01206398       1.53217056 
O       0.74173551       9.44582525       6.50980999       5.63679791       1.41360121      -0.67353544 
O       6.71294941       0.85028393       3.57349958      -2.34073503       2.72686976      -1.05757408 
O       5.83000141       8.77786734       9.25391450       2.42741503       1.57338755       2.46561742 
O       1.40775414       1.16925550       8.29014536       1.63834058       0.59374110      -4.19730870 
O       3.68273405       3.84450079       9.15125604       0.79164866      -2.06963658       0.09759519 
O       0.85784398       9.00417401       9.04589584       0.40800945       1.28537184      -0.17889016 
O       1.59308751       4.18889194       1.14495393      -0.09197484      -1.31575295      -0.98638898 
O       3.49242023       9.25621110       6.03444523       6.12450216       7.03007763       6.27620644 
O       8.21979752       9.84915105       9.49793343       1.67302297      -0.14060854      -0.71315852 
O       1.71829320       6.21343096       9.23337573       2.16599284       0.26816546      -4.79387344 
O       1.41928915       9.67410448       4.08342310       2.60686228      -4.33213946      -0.84658711 
O       3.72886550       6.47617811       4.61554543      -0.13818823      -1.64732440      -2.20409469 
O       4.09877460       8.55510830       0.98966440      -0.01483820       0.37399670      -0.34045697 
O       4.13892672       9.03368430       3.61701176      -0.48906628      -1.37344725      -0.05856095 
O       1.26044562       3.90793172       9.05310067       0.71252192      -2.99158475      -2.55277089 
O       9.00894388       3.61826718       1.14805087       0.07136442      -0.63236300      -0.16069644 
O       6.96049492       0.86258674       5.78143552       0.21026551       2.06954739       2.02781569 
O       6.67671678       4.13028697       9.54883558      -0.35558804      -0.22395854      -0.24235242 
O       3.19235825       3.99221383       6.50711368       2.71007652      -2.13490582      -0.30706901 
O       0.90585442       4.34035229       5.69091702       1.84567278      -0.24007132       1.86455179 
O       9.46749426       4.39782377       8.70239149       0.35459371      -0.68026297       0.54908973 
O       9.20190188       3.66075168       6.42351439      -3.88824139      -3.82550585      -0.67322325 
O       5.83647214       3.77997593       7.08188149       0.79145051       0.23147402      -1.92662583 
O       5.80540396       1.16328265       8.98280883       0.71822377       0.93881426      -1.56532864 
O       6.65076521       0.88314308       0.82296139      -2.45925178       0.75859171       2.15127206 
O       8.83083783       1.13528232       0.99103422       0.81683399      -0.03093534       2.45952448 
O       6.74484975       8.68613780       1.34379613      -0.16867507       3.01674098       1.57201363 
O       9.07542193       8.64441094       5.91904857      -1.45471447      -0.40080753       1.12073015 
O       1.94671446       6.77014101       6.52096884      -0.90406650       2.98842175       0.07043796 
O       9.15293650       6.14999009       6.62382155       0.90989450       1.65912158      -0.97761240 
O       9.75266943       6.83651137       9.01284578      -1.38940204       2.38418251      -0.27409099 
O       7.24920212       5.36206483       5.49121428      -0.30505788      -3.14382219       0.74791273 
O       6.24013641       9.38552351       6.85166664      -0.46663166      -0.31083594       0.31204033 
O       6.87417515       6.74460799       8.51263939       3.94614667      -1.93154857      -0.16832813 
O       4.39714189       6.42744602       9.26427415      -0.51217038      -3.46610018       2.11219941 
O       6.32030060       6.53640659       0.86114973      -1.01908985      -1.43927635       0.58769260 
O       8.92785710       6.27381078       0.81854685      -1.59020697      -1.24766826       1.71614269 
O       9.40069092       1.44550604       3.84381337      -1.60171606       1.43180625       0.95191247 
O       9.56848357       9.71602475       3.29420641      -2.03388780       0.56081461       1.17396358 
O       9.28270189       8.80114375       1.11879387      -1.11421823       1.12922090      -1.72922645 
O       5.86422180       3.25351058       4.37744848       0.30626816      -0.53853439      -0.92909109 
O       6.18620021       6.08734203       3.53536744      -0.01915239      -0.94761568      -0.63507680 
O       6.73936683       8.85624223       4.21609872      -1.02956123      -0.42426936      -1.46092063 
O       8.19697221       2.18894157       8.39241614      -0.28597330      -2.06827717       0.55771183 
O       9.20696145       6.43173130       3.86932044      -1.69090101       1.48060953      -1.17740614 
O       8.58631443       3.57287956       3.61589480      -0.97417269       2.16469847      -1.09862081 
O       3.48941538       6.14405848       1.21067329       1.42653110      -1.04350759       3.32332497 
O       3.60420437       8.47818665       8.55100723      -2.64174064       2.83525300      -1.22311608 
O       3.10331329       0.75376243       9.81469035       2.46049155      -0.60619326       0.11381600 
O       5.51337322       7.00993160       6.10167696       0.76954183      -2.08438294      -3.46905586 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03284998421317621 0.002881907081938616 0.003909424802911217 0.002881907081938616 -0.028807822184394215 0.005566711181659005 0.003909424802911217 0.005566711181659005 -0.059059224183880946" pbc="T T T" energy=-924.53513116 free_energy=-924.53667209 config_type=crystal 
Hf      10.11072776      10.46153595       0.01989258       2.07719983      -1.20069739       1.06510413 
Hf       5.08420909       2.32521118       2.78695732       4.06431184       5.37860352      -7.29031666 
Hf      10.43613082       2.49387222       8.03013585      -5.16227104       2.10764574      -2.42217809 
Hf       0.02008118       0.26778757       5.30051709      -1.30172270      -1.64488256      -4.23664894 
Hf       7.84201428       4.86845906       7.70002719      -0.19798637      -0.19625566      -0.44699917 
Hf       7.54461783       7.28558095       5.25848462       1.75462972      -0.80986738      -0.97944454 
Hf       7.37200581       2.53970465      10.26098555       1.04253771      -0.19407190       5.55749303 
Hf       7.74173081      10.27384181       2.28193324      -0.13513773       0.07537159       3.10076398 
Hf       3.03081643       2.39892683       4.91230595      -2.02947524       5.65568529      -2.36642123 
Hf       4.67183433       2.65694346       7.76535816       1.14776409       1.22742126      -0.74108732 
Hf       5.58743770      10.13564873       5.08121314      -0.24264637       0.74160340      -0.54423233 
Hf       2.02865831       2.32766278      10.14453066       4.28379224       1.51196259       2.55531356 
Hf       2.59336402      10.43240935       2.42570795      -0.76263251      -0.79311718       1.46773505 
Hf      10.12390513       2.49132977       2.40539933       1.68866363       3.11772952       0.79575132 
Hf       2.37859435      10.05191180       7.78523200       1.17408031       4.09127735       0.80942237 
Hf       7.69747700       0.42886081       7.80393060      -1.09609454      -0.32164487      -0.00288988 
Hf       1.88579594       5.09616830       7.29025631       2.42264371      -2.17226747      -3.29613355 
Hf       5.06542917       5.10205135       5.26156001       1.71121438      -2.79560644      -1.80252040 
Hf       9.76357417       4.79529728       4.89970579       0.53711905       1.61447674      -0.51645433 
Hf       2.61367389       8.08717936       5.01027638       0.17467227      -0.75017788      -0.28964661 
Hf       4.97195795       4.84839504       0.29527128      -4.18575931      -1.25271668       3.93350927 
Hf       5.25500712       7.43734044       2.41695768       0.94182129       0.66687411      -0.33093651 
Hf       5.06663948       7.58488005       7.81728642       4.79639493       1.15880429       2.86832110 
Hf       7.75073980       7.96033467      10.06726258      -0.73067670      -1.81631889       3.43898347 
Hf       7.96508591       5.26192381       2.34881246      -4.65348675       1.75942149      -2.92987609 
Hf       2.27504836       5.33011937       2.91351566      -1.60000890       0.76134871       0.15836546 
Hf       0.06328880       8.18607333       2.37035295      -0.98310778      -2.83756662       1.57477285 
Hf       0.31593324       5.39627151      10.09579302      -0.88241546      -0.06922546       2.23213995 
Hf       7.74515462       2.44425385       5.14580687      -2.43023044       0.58692189      -2.38787773 
Hf      10.29712911       7.74574649       7.48321442      -0.35328189       1.21512484      -1.34465394 
Hf       5.15699367      10.12868337      10.38150897      -1.95272021       6.17818168       3.10771843 
Hf       3.01910057       7.66004013      10.16175520      -6.90621422      -5.56882183       1.61612547 
O       1.52138797       9.04681048       1.38429991       0.85107707       3.32995724      -0.10278339 
O       1.02006945       7.09304767       0.55418707       0.67474027      -2.71180559      -0.84603469 
O       3.44876759       1.55724957       6.39043994       2.91289610      -2.96637548       6.29695726 
O       1.51748241       1.68721602       3.93735199      -0.92641213      -1.52372364      -0.06329668 
O       3.95532330       3.04283843       1.29627634      -1.01565458       1.23597316      -2.25357893 
O      10.45720849       2.09752172       9.98394964       0.59617122      -3.10485456      -0.54355130 
O       3.71335679       4.26414433       3.68843551       0.07814937      -5.43340582       1.07688831 
O       6.05180217       4.08252981       2.26907572       1.45399666       0.93862223      -2.87212668 
O       4.46114166       1.30811141       4.14341023      -4.32886362      -5.16935338       4.58976840 
O       0.34657178       4.54617692       2.99332933       0.62775906      -2.23707180       1.15294690 
O       1.37111877       1.26788478       1.47872261      -1.44310229       0.37739813      -1.36481280 
O       0.82716378       6.83792410       3.66636355       3.30225464       0.29128228       0.17291316 
O       4.23675209       0.71930362       1.68652064      -0.80452910      -2.93359104      -0.02138434 
O       9.39117526       1.28463185       6.71368612      -0.87975282      -3.37861420       0.71623742 
O       1.04566590       9.68282419       6.54174226      -0.11456429      -2.31600286       0.13398626 
O       6.61031157       1.03397725       3.38728421       2.16630493      -0.60939259       0.78095608 
O       6.12428636       8.89174745       9.41140506       0.81094295      -2.02700735      -2.86869109 
O       1.47051743       1.49536691       7.43854939       0.15688905      -1.88508524       1.80996218 
O       3.76337413       3.48875591       9.16135865      -0.85601327      -0.55258742       1.28561250 
O       0.62886487       9.47418060       9.05114527       1.67111696      -0.08318443      -0.49419577 
O       1.49609117       3.97110340       0.67628900      -1.08694112       1.78853616      -0.28507413 
O       3.97896885       9.66805596       6.09557988      -3.69704347      -3.04171185       0.04849313 
O       8.67898813       9.80494119       9.33454390      -2.49234158       1.35201414      -1.61082967 
O       1.53973449       6.52520221       8.50408003      -2.10666588      -1.07998535       4.46780241 
O       1.67765064       9.48748094       4.13582548      -2.04877233       2.43891383      -1.10698690 
O       3.48378781       6.20974864       4.44156725      -0.83215930       2.74198575       2.07512342 
O       4.26436936       8.53477698       0.65644341       1.66179334       0.96425711       2.82977279 
O       3.52755107       8.31495517       3.24009270       2.52236995       1.40498163      -1.35891736 
O       1.45185850       3.68643458       8.55817636       0.36181861       2.36207862       0.98776537 
O       8.91329432       3.63252685       0.91111453      -0.61085563       0.56874666       0.76771031 
O       6.99298630       0.69874099       5.94345125       1.28656827       2.94399886       0.24491445 
O       6.31125895       4.00512483       9.86329078       2.76824299      -0.10814977      -2.33084849 
O       3.80183292       3.97252230       6.38128243      -2.54689251       2.08194497       0.04473559 
O       0.91372365       3.79246033       5.92328644      -0.10074358       2.35707939       0.30130933 
O       9.43646428       4.36128888       8.85180142       1.65724835       1.66193492       0.26028133 
O       8.71577892       3.52149135       6.42508055       2.53234261       0.12338734      -0.70823865 
O       6.04335113       4.15409768       7.42061178      -2.67718344      -2.54419351       0.21190518 
O       6.00935492       1.47603385       8.73767285       0.03373250      -2.52688840      -0.25034315 
O       6.46869959       1.00556267       0.81991478       0.96398968      -0.59970168      -1.10850489 
O       8.92227631       1.27535723       1.57478768       0.08065454      -2.09966371      -2.36208912 
O       6.64139691       8.88228684       1.54898504      -2.07481363      -1.39440656      -2.39013107 
O       9.37702066       8.60667705       5.86005992      -1.58616148       0.97480304       1.93085284 
O       1.49645173       7.18454298       6.48363863       1.01670345      -1.24001200      -2.35504207 
O       9.32368522       6.11303321       6.42675577       0.50180808       0.31670854       2.11727158 
O       9.20277978       7.25831839       9.15973168       4.52728758      -1.04639660      -1.50026738 
O       7.12712478       5.03689601       5.71217272       1.34172878       4.13404562      -1.82910897 
O       6.17907524       9.32206526       7.00471064       1.33491742      -1.10891954       0.37608397 
O       7.18845273       6.53861988       8.36043656      -3.55155480       3.25206385       0.45743198 
O       4.17151679       6.13515383       9.27093045       0.06005826       1.91340107      -0.55791818 
O       6.19616152       6.40541393       0.80717668       0.62243098       0.89977863       0.23302622 
O       9.12728175       6.43610575       1.47185082       2.00586607       1.65089490      -2.65293495 
O       9.47749419       1.82783873       4.36290559       0.18711799       0.79844170      -2.08688684 
O       9.47319102       9.80863848       3.49342278       0.64024743      -0.10133724      -0.06547170 
O       9.08119865       8.90322270       1.13290911       0.39426203       1.99165685      -1.69201336 
O       5.91996217       3.23253642       4.50575143       0.34714994       0.35681886       2.59580958 
O       6.59451357       6.33170331       3.55442660      -2.65171279       0.82606630       0.32857682 
O       6.52320526       8.89801922       3.88562228       0.08329633      -1.46765636       1.78836981 
O       8.24555976       2.27199495       8.65341449       1.79944376      -2.11224315      -2.73358356 
O       8.94193100       6.74675617       4.02969988      -0.62438906      -1.90535837      -0.47257247 
O       8.53662594       3.94203667       3.44531071       1.50874917      -4.73180219       5.22875077 
O       3.56808834       5.93822087       1.61667184       1.56665496       2.35140081      -1.86615811 
O       3.45437046       8.49658320       8.50379786      -0.19546604       0.95281941      -1.42616247 
O       3.12645793       0.37846868       9.67545567       0.46990274       0.73555297      -0.82989931 
O       5.44438003       7.02024813       6.10919410      -0.51767195      -1.45859848      -2.69697381 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03721798945001807 0.0039651845542645935 -0.0014260662465909327 0.0039651845542645935 -0.05725849416289274 0.012578832763105067 -0.0014260662465909327 0.012578832763105067 -0.04263365141721583" pbc="T T T" energy=-920.05542955 free_energy=-920.05597403 config_type=crystal 
Hf      10.06328908      10.44389600       0.11269418       6.34394000      -1.63133233      -5.52944399 
Hf       5.20416891       2.29864755       2.67743482      -1.22429049       2.32402522      -1.58825948 
Hf      10.45206404       2.47177357       7.94586243      -5.31838188       0.71269828       1.04035390 
Hf       0.04350381       0.23030559       5.10513710      -2.81003037      -2.58669077      -0.49179522 
Hf       7.90779832       4.92785254       7.65122613      -3.04437600      -3.23215385       3.71241616 
Hf       7.48419887       7.30800343       5.29563146       2.13835075      -0.49595173       0.84771547 
Hf       7.37812958       2.46994209      10.29649454       2.67951669       0.35241156      -1.60429802 
Hf       7.71460064      10.33646465       2.26157365       0.62909471      -3.53876342       2.21593150 
Hf       3.01611309       2.37730198       4.92938197      -4.74042028       2.31877591       3.58713884 
Hf       4.54348543       2.54790345       7.71930384       1.47533208       4.33765180       6.64622777 
Hf       5.37621660      10.31710961       5.09992054       7.00395519      -6.37340394       3.74307884 
Hf       2.04354973       2.40070357      10.28471567       1.76057248       0.07557980      -0.36871188 
Hf       2.56688422      10.35955800       2.46738802       3.12980135       2.40608543       1.11906452 
Hf      10.21304021       2.50177001       2.39219539      -0.23164812      -0.03160012      -1.84536333 
Hf       2.44041401       9.99674791       7.68858669      -2.14138890       2.03103316       3.40650751 
Hf       7.66446922       0.27926815       7.79593600      -1.35871849       1.59883417      -3.43897002 
Hf       1.88396268       5.09476604       7.37984740      -1.30676122       2.33733336       0.82428119 
Hf       5.09036155       5.14676526       5.15779914       1.01731503      -0.33309967       0.83158298 
Hf       9.68607708       4.78301101       4.91044642       1.21082907       2.46320873       0.06632873 
Hf       2.65177598       8.14126910       5.05560978      -1.99073586      -0.71302026      -1.87768890 
Hf       4.97096188       5.03156641       0.34796567      -1.01766253      -2.61479864      -2.99795464 
Hf       5.28094697       7.47563375       2.45433175       1.56179254       2.59156597      -1.34615668 
Hf       5.15817363       7.48623036       7.86205810       2.15919372       2.90896260      -0.86156930 
Hf       7.70441776       7.92705896      10.04531014       2.17690026      -2.84583024       2.57934279 
Hf       7.92425569       5.12351166       2.29714607       1.46714669       2.32418032      -2.80585952 
Hf       2.22002964       5.43179432       2.89052005       0.73461740      -3.75419545      -2.71470298 
Hf       0.08962825       8.25195765       2.49353562      -0.35691447      -1.76511828      -1.05719296 
Hf       0.42237083       5.31253406      10.16864845      -2.70698930       2.09515103       2.12907517 
Hf       7.73061738       2.53137324       5.04903795      -1.51092292      -0.16679241       2.04363393 
Hf      10.32795688       7.92966127       7.48662483       1.43501301      -0.25835215      -1.53791839 
Hf       5.21761609      10.23285105      10.39677885      -3.18495682      -0.80055823      -0.83137776 
Hf       2.95473898       7.54143297      10.12669500      -2.35834366       0.57419223       2.41180989 
O       1.55954659       9.28959775       1.46868720      -3.66858124      -3.05849680      -1.61357144 
O       1.14227311       7.05220238       0.68624644      -0.52864070      -0.89825794       2.51440217 
O       3.63756078       1.20283861       6.74043888      -0.91925850       0.05149867      -2.09728997 
O       1.48718548       1.45138480       3.99746085       0.94094459       2.65980220       0.63473180 
O       3.97214635       3.16206959       1.41536788       0.96555870      -0.25930211      -0.62033066 
O      10.36042848       1.76766143      10.03566784       2.15776664       4.61000504      -4.11367073 
O       3.65868900       3.91452898       3.96122299      -1.15715319       0.84665849      -1.48244885 
O       6.32446876       4.18005229       1.55552819       0.60421972      -3.01162436       4.20847375 
O       4.14938768       0.98307740       4.40951671      -1.68073241       2.44663941      -5.29442189 
O       0.24940976       4.28821712       2.95350460       2.02023049       2.20310597       2.35285566 
O       1.34449936       1.20559090       1.37262486      -1.51099133       1.32972341       1.75393591 
O       1.37205717       6.89143077       3.58746934      -1.82793356       2.69160731       0.69262593 
O       4.17646353       0.47865941       1.40728975       0.91477257       2.39040209       5.25702147 
O       9.38431184       1.08374570       6.75574046       2.53640300      -1.57890250      -0.98334289 
O       0.75903530       9.49010743       6.68383338       3.11703011       1.89054500      -2.04614610 
O       6.56782487       1.02978564       3.50052818       0.43443310      -0.88453870      -0.27941937 
O       6.12211881       8.74235595       9.33918294      -2.98562295       1.82429992       0.60631945 
O       1.38888787       1.18046825       7.98744736       0.38959469       2.34840484      -0.42562273 
O       3.68619533       3.86769232       9.06120255       0.70186119      -2.52731294       1.39091385 
O       0.75485667       9.14856257       9.03242124       0.32271010       0.51569604       0.18907818 
O       1.65604118       4.00908450       0.96794275      -1.42957692       1.07535314       0.01042050 
O       3.50693203       9.44628828       6.15974700       2.94532234      -0.38066062      -2.26243766 
O       8.24889168       9.87196894       9.36553139       2.80342410      -1.15951625       1.90441514 
O       1.66066808       6.42915400       9.04025697       0.47769039      -1.73389652      -2.54041818 
O       1.59336393       9.69989864       4.13438826      -0.72097329      -3.01231325       0.10740035 
O       3.70522979       6.59165787       4.73926910      -0.62561145      -4.51014506      -3.58372179 
O       4.16578989       8.57173229       1.05329189      -0.34666956      -0.54388484      -3.68443823 
O       3.96251776       8.59468153       3.35987386      -1.34678898       3.01448380       2.68740121 
O       1.27831414       3.94210375       8.87674290       1.05974942      -2.84347853      -0.43403958 
O       9.04304767       3.64354870       0.94554466      -1.21595020      -0.48986657       1.92103525 
O       7.20668224       0.90674970       5.85886813      -3.89320798      -2.15406097      -0.00740917 
O       6.50367146       4.03430218       9.79308414      -0.14151580       1.12188261      -1.86238954 
O       3.18299864       4.11277001       6.62474676       5.86908812      -3.70490410      -3.37081115 
O       0.98323209       4.10108512       5.74895283      -1.32430977       0.15316599       0.22075292 
O       9.60126905       4.31019184       8.82832081      -2.99052970       0.76415771      -1.27347401 
O       8.93546131       3.54951984       6.30167735      -0.26252203      -1.13232768       0.53668762 
O       5.83160441       3.87529842       7.33063962       1.75766779       1.29698351      -2.53059398 
O       5.99510812       1.41898029       8.89898598      -1.79352964      -1.86687329      -0.03489410 
O       6.59310043       0.75375657       0.84445195      -0.45001094       3.12368981       0.13166300 
O       8.83182584       1.04600888       1.09380027      -0.91944618       2.24314273       3.26448725 
O       6.72275592       8.73160130       1.46570549       0.66920101       1.62920785       0.13589114 
O       9.25863810       8.63660075       5.72354467      -1.25373190      -0.48971347       2.32918198 
O       1.90646333       6.92263501       6.47492028      -2.14683333       0.39601206       0.86926682 
O       8.98264849       5.89309627       6.56738905       4.68442897       4.97224434      -1.52123560 
O       9.69807093       7.00323187       8.98245780      -3.24232764      -0.26214967       1.80405014 
O       7.13472188       5.18900265       5.48631568       0.40894051      -0.18872433       1.49696227 
O       6.25975803       9.37132988       6.96540995      -0.96225431       0.14632963      -1.22536551 
O       6.86425507       6.82282629       8.52965681       3.33587222      -3.56321448      -1.33066029 
O       4.30831117       6.35826883       9.17613828       0.04995293      -1.78647638       2.07295478 
O       6.30462223       6.51308141       0.84356641      -0.69131284      -0.89537939      -0.15350444 
O       9.04609512       6.37772717       1.00134615      -1.21564660      -1.12691314       1.65143169 
O       9.41599972       1.58900727       4.06672982      -0.06426486      -0.36151959       0.13606931 
O       9.44673058       9.78633731       3.33983182       1.17169728      -0.75669021       0.23881008 
O       9.36300454       9.04377926       1.01436704      -3.05496335      -4.95843360       3.01443112 
O       5.91228552       3.40097390       4.50881981      -0.23343464      -2.87251187      -1.89041799 
O       6.40936168       6.35949830       3.64273119      -0.58481452      -3.04797237      -1.36318874 
O       6.82885032       8.59427293       4.12027574      -2.85875899       5.04714546      -1.71894550 
O       8.13743753       2.14760259       8.34750432       0.90677695       1.42005999       2.69735063 
O       9.03701370       6.72253665       4.07445513       0.72110081      -2.54439734      -1.81011533 
O       8.60102164       3.53895902       3.69264878      -0.48048423       4.48966126      -4.13046186 
O       3.38492796       6.00998122       1.31916079       1.89989818       0.39186760       1.48830377 
O       3.52931672       8.49834256       8.39804999      -0.55516452       1.00272084       1.99371049 
O       3.02942641       0.63270565       9.97234032       1.40102815      -0.34449876      -3.41730032 
O       5.38273641       6.97512070       5.96564755       2.20437681       0.41357563       2.42649814 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.022467220887311554 0.01881925175324591 -0.0027567616969685848 0.01881925175324591 -0.027153416274591044 -0.007875250391370584 -0.0027567616969685848 -0.007875250391370584 -0.02451521105731017" pbc="T T T" energy=-922.82689788 free_energy=-922.83966657 config_type=crystal 
Hf      10.26996273      10.21671709      10.17197910       4.58274590       0.61024498      -1.08646282 
Hf       5.38608926       2.43767793       2.78645023      -0.43794513       4.60902093      -1.14578731 
Hf       0.05647310       2.34830328       7.80578343      -0.50680581       1.46431349      -0.97627135 
Hf      10.34976750      10.24149037       5.26590923      -2.35024995       2.84108654       1.79974000 
Hf       7.51583516       5.61786902       7.62427807      -1.46919095      -1.33240146      -3.12094311 
Hf       7.65599463       7.58388702       4.95791492       2.19739732      -4.50819716       2.14692810 
Hf       7.71046911       2.71473688      10.31048775      -7.84749333       5.41467422      -5.70426946 
Hf       7.84705543      10.07874923       2.55514093       1.25836442       1.56293074       3.54474142 
Hf       2.48993295       2.81170339       4.81123814       0.10795997      -0.84455178      -4.34684957 
Hf       5.34016567       2.24072226       7.68761512       0.08944153       3.99291621       0.58438711 
Hf       4.91988588       0.02223209       4.90165994       1.27700963      -1.22678644       2.57370944 
Hf       2.97984750       2.08088486      10.24651268      -2.17928104       4.15943622       0.15722988 
Hf       2.38794381       0.00548534       2.57492425      -3.32987528       0.64492315      -0.66611778 
Hf      10.35582052       2.51490980       2.24307014      -0.34179080       4.39014850      -0.95637495 
Hf       2.33470371      10.27174104       7.48605599       1.56632050       4.56768018       1.75921081 
Hf       7.43646159      10.22305249       7.82905137       2.14655265      -2.47602690      -6.07666744 
Hf       2.23228849       5.11563114       7.82983466       3.39728546      -0.90805625       2.94623917 
Hf       4.95617492       5.08016108       5.35532428      -0.37598684      -0.97115454      -0.77606300 
Hf       0.27419424       5.10527494       5.41056531      -2.09441019       4.45452471      -6.25637848 
Hf       2.78173657       7.84018029       4.97363516      -0.91677786      -3.09983715      -1.65263454 
Hf       4.96655739       5.05465935      10.46528180       0.42808284      -1.39431948       0.15712393 
Hf       5.18104635       7.65882522       2.38828165       0.05935357      -4.81352269       4.54758839 
Hf       4.92246622       7.83921656       8.00165240      -2.93723909      -0.67881922      -4.03587090 
Hf       7.51033977       7.84851515      10.31659718      -0.00579928      -4.23112458      -2.26530444 
Hf       7.58302094       5.09588090       2.59215842       2.28322076       0.62903563       0.69785616 
Hf       2.19874830       5.13069640       2.17574034      -0.61979517       2.05934332       4.73703895 
Hf      10.24829686       8.05647582       2.25934916       4.81320863      -4.73944694       0.20205503 
Hf       9.60354597       5.40470737      10.30098015       3.86817993      -1.53396122      -0.34845686 
Hf       7.75826511       2.59216805       5.17178440       1.24115891       0.77390750      -0.31565098 
Hf       0.27143640       7.84094390       7.59773485      -2.89275383      -3.27940426       0.19187181 
Hf       5.39408889      10.42728918       0.16088119      -1.67631513       4.07633590      -0.22513385 
Hf       2.31111332       7.82439956      10.40491318      -0.96949251      -0.88809710       0.45337803 
O       1.47899599       9.34382240       1.07368790      -0.39633454      -0.76499348       1.96746953 
O       1.12191929       6.47353361       1.17661795       0.21072763       2.35625323      -2.34103177 
O       1.17672627       1.12855978       6.22958910       1.16837682       0.86347061      -1.67116939 
O       1.27001225       1.70937160       3.25142456       1.76099159      -3.10252423       2.72869356 
O       2.78599914       3.70000181       1.29535039       1.97859409      -5.39587215      -3.42703331 
O       0.82124012       0.55202109       8.60718340      -3.26965019      -0.45608300       0.73686893 
O       3.74604378       4.20010270       3.74915873      -1.40474044      -0.91583299      -0.54929183 
O       5.93811129       3.59196258       1.23381291      -0.78832007       0.54363543       0.44102894 
O       3.67326350       1.51442251       3.29296795       1.56214676      -1.76110575       2.69890726 
O       0.85734945       4.14283741       3.61996574       0.92139644      -0.80611918       0.58588883 
O       1.35310330       1.25798439       0.80642469      -1.73851965       0.40085038       0.53009300 
O       1.33620897       6.79711796       3.67951538       1.52533320       1.03479766       0.01620994 
O       3.77524280       0.17173517       1.26452168       3.23167724       1.29591883      -1.97671001 
O       2.04423547       3.97509364       6.17136312      -3.06095763       2.49180960       2.62945003 
O       1.36283656       9.00770007       6.44668185      -0.84724001      -1.33565429      -3.62042211 
O       6.25339144       1.60386718       4.30678321      -0.94559760      -3.22445292      -1.66452664 
O       5.92706736       9.14360577       9.15404131       0.15868626       0.79681895       1.57403445 
O       9.28601527       0.99330654       6.96201357      -3.72605295       0.03732300       0.26215195 
O       3.60852953       4.11195364       9.19927664       0.17403316       0.29796703      -0.43106273 
O       2.29269877       8.61374550       8.52002319      -0.93002215      -0.46854594      -0.06091590 
O       0.15154660       4.05672058       0.80349959       0.60015366      -0.24913004       3.22468913 
O       4.42272474       8.58971542       6.04650575      -1.49113804       2.69100372       0.67137621 
O       0.21704952       8.31101925       9.83929827      -0.60666896       0.00811934      -1.92277131 
O       0.65757690       5.86095603       8.79439159       0.32076102       1.46070107      -1.20780403 
O       0.94798800       9.29848607       4.00465646       2.62987361      -0.00263660      -3.27178336 
O       4.60211112       6.71823191       4.32334597      -3.46917333       1.66212688      -0.04422077 
O       4.08397854       8.12544295       0.99189046      -2.32936574       1.94305159      -4.28399173 
O       3.78061521       9.03171644       3.47053729      -0.66495793       2.26029331       1.30284643 
O       1.44474483       3.14646930       8.86905757       2.38714740      -0.52754890      -0.23883149 
O       7.90054389       4.66169174       0.62601074       1.62706788      -1.95319054      -1.94852677 
O       6.29090575       1.05609421       6.48683762       2.05362484      -2.86486456      -0.89671913 
O       6.19660853       3.97390488       8.83715188       1.32752903       1.17105734       1.07795628 
O       3.94230994       0.78824312       6.75703273       0.43473549      -0.41839869      -1.55169241 
O       4.17060351       3.21800567       5.66540702       3.16175854      -2.48654687       3.70307939 
O       9.51597904       3.58208196       9.23688295      -3.73203631      -1.44071447      -1.96243405 
O       9.27039656       6.55440228       6.32193008       0.96691496      -1.04159485       1.01741863 
O       9.91579405       3.76181488       6.32047109      -2.57898015      -3.75314227       2.04934206 
O       6.71188928       1.11260636       8.89126988       2.41164637       0.83303502       1.04198252 
O       6.64721078       1.26185824       1.35305160      -1.05103624      -4.07659282       1.55047332 
O       8.84145045       2.12261486       0.96125087       6.25117093      -5.36573773       4.28183825 
O       6.87608983       8.55649225       1.58505125      -0.35610725       4.30520909      -0.24374632 
O       9.24868391       9.03345875       6.34812970       0.11992654      -0.61615580       0.74573215 
O       1.50995627       6.47832462       6.13690022       0.63084419       1.42164816       3.24228106 
O       6.74908333       5.81397986       5.69226308       1.42219114       2.24059659       2.03041717 
O       8.57951349       6.85858679       8.68101470       1.69221675       0.23262974       3.72981676 
O       6.70772834       3.66050457       6.59212435       0.49945433      -1.83198907      -0.24045431 
O       6.88160489       8.06524325       6.99447019      -0.09986588       2.14049840      -1.03465729 
O       6.15983711       6.65979943       8.68412871       1.01615695      -3.19082904       3.25299894 
O       3.47187769       6.87638215       9.06164318       1.10992967      -2.53378645       2.81520768 
O       6.30841874       6.38534541       0.81566770      -0.21811092       1.70565179      -1.49897840 
O       8.92611092       6.75935947       1.16521408      -0.32418773       3.18864067       0.04137467 
O       8.90810455       0.77259720       4.04384506      -0.29141637      -2.67610818      -0.19163726 
O       8.91493730       8.47194974       3.52188938      -1.64508057       1.76395858       0.71543366 
O       9.43897397       9.67089460       1.37366792      -2.77868691       0.85358933       2.28107687 
O       6.72736492       4.02825167       4.00202704      -3.46940706      -1.71591128       0.26116178 
O       6.67189950       6.62442963       3.27519655       0.91547639       1.15679524       0.51320888 
O       6.48311835       8.97144149       4.31346096      -2.26267070       5.15484897      -1.92756946 
O       8.49322794       9.65132365       9.31533236       0.79204401      -0.51161476       2.27287359 
O       8.97470056       5.88892088       3.89475153       0.48165559      -0.67346633      -0.32485629 
O       8.67735488       2.94812183       3.39064177       1.37263334       1.55975773      -0.60052476 
O       4.21526697       5.64904374       1.99889370      -0.31327023       2.32156594      -2.88399915 
O       2.91756074       0.42168885       9.32583006       3.49174503      -0.91499090      -0.51688751 
O       5.17026889       2.04083207       9.86405931      -4.78935708      -1.72238687       1.81362964 
O       3.96994081       6.00784612       6.96661231       0.82236205      -0.63696293      -1.82099439 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009223861163709225 0.00416840568218083 -0.010224784638175643 0.00416840568218083 -0.01743150884704259 0.02597615825851901 -0.010224784638175643 0.02597615825851901 -0.0010217417472878907" pbc="T T T" energy=-930.6049295 free_energy=-930.60528385 config_type=crystal 
Hf      10.15379952      10.42372732      10.43789919       0.79068700      -4.48778641      -2.20055054 
Hf       5.26827156       2.45028164       2.85903260       0.20174100      -0.80314513      -3.22244349 
Hf      10.40025300       2.39249032       7.65160438      -2.80280233      -0.92919672      -2.36085877 
Hf      10.39356007      10.18802986       5.24307523      -3.06422207       4.13803564      -0.78104990 
Hf       7.72965376       5.60573157       7.59218253      -2.42902369      -3.79782263       3.40793856 
Hf       7.87158873       7.41044063       4.88208511       0.14571881       1.95415603       2.02129989 
Hf       7.56627596       2.66620008      10.44161845      -1.79546610      -0.53334056      -0.26346647 
Hf       7.75083997      10.17484172       2.81854421      -0.02244715       1.23018098       0.43121912 
Hf       2.30864109       2.71536893       4.69243599       0.11201352      -1.20151702       4.21299350 
Hf       5.24669476       2.52568538       7.79901149       2.96650278      -0.67252119      -0.33361883 
Hf       4.74575427       0.00674117       4.87227807       7.65268842      -4.98662443       6.83640419 
Hf       2.91065838       2.03845436      10.06758295       0.73705187       2.40815218      -0.17252056 
Hf       2.42400102       0.01061231       2.54886571      -1.12462861       0.62577434      -1.32285598 
Hf      10.44629978       2.62300314       2.30105875      -0.83184469      -0.32347447      -0.15415940 
Hf       2.39565363      10.44901052       7.39113300      -1.55686901      -2.54944649      -0.31745010 
Hf       7.53170139      10.10455626       7.79722282       0.67099824       1.28078680       0.04841375 
Hf       2.53581488       5.08095128       7.98188301      -0.62205464       0.38801343       0.34317640 
Hf       4.88500528       4.75788125       5.23251620       0.90260423       0.40235032       2.20959894 
Hf       0.27346768       5.47561546       5.42584198       0.82624989      -0.98954540      -4.42763113 
Hf       2.58918800       8.03397977       4.91592631       0.47245975      -3.77990702       1.24090946 
Hf       4.99452004       5.16099427      10.40900483       0.99750810      -1.12045013      -0.38145485 
Hf       5.24123726       7.62119452       2.54777943      -1.44299623       1.14798723      -0.69751821 
Hf       4.77446421       7.84040897       7.73085308      -0.57263428       0.20693616       1.39706410 
Hf       7.39801285       7.62317504       0.06116301       2.48249902       2.15553742      -1.63342582 
Hf       7.84866628       4.88488209       2.50989838      -2.60962151       5.64766353       0.51773156 
Hf       2.44898802       5.13702730       2.20626701      -2.83920545       1.61071225       1.07626752 
Hf      10.43968242       7.99073165       2.27054915       1.16627690      -4.32411556       1.37454009 
Hf       9.65673886       5.29862396      10.31387409       6.40324593       0.61679385      -0.78347384 
Hf       7.85144935       2.60788786       5.15664797      -3.99564944      -4.48939091       0.68793787 
Hf       0.11259255       7.71792680       7.39684911       2.58519818       1.87700032       7.90627869 
Hf       5.24237326      10.45084996       0.17608471       1.93458108      -0.84892930      -0.94449935 
Hf       2.23580158       7.77559211      10.26774442      -1.18206839       0.42687608      -2.03065391 
O       1.24967558       9.11617564       1.19894256       3.04788849       2.46963510       0.71193067 
O       1.06712527       6.46407719       1.25524768       1.14420552       1.90370919      -1.69040077 
O       1.50246822       1.32084323       6.08445901      -1.50816179      -0.15269277       1.28481656 
O       0.89648697       1.41817136       3.83072570       2.28516758       0.36618924      -2.83480275 
O       2.93012949       3.83770383       0.95066368       0.89223794      -1.47778108      -2.17743733 
O       0.21361755       0.62414901       8.58015392       1.11054322       1.49178324       0.48604995 
O       3.68870313       3.73961617       3.47451172       2.40979609       0.77337724       1.51740763 
O       6.18170937       3.64334241       1.35112142      -2.06933313      -0.94099094       2.09358756 
O       3.84538319       1.31203530       4.17089572      -5.33381357       5.06682578      -3.74286343 
O       1.44546773       4.07793169       3.72318623      -3.75534385       0.58964980      -0.94765153 
O       1.26542962       1.49759527       1.12758778       0.97079074      -1.15678707      -0.63220728 
O       1.42273431       6.81026424       3.80484258      -1.53539526      -1.20713492       0.96341922 
O       3.87780947       1.32999917       1.60180764      -0.25327402      -1.82392354      -0.95424822 
O       1.57965174       4.29447119       6.25777960      -0.04462725      -1.35483378      -0.62879709 
O       0.95879696       8.94394930       6.16354089       3.48593083      -0.75283446       2.02499176 
O       6.36361120       1.13642052       3.92549358      -0.53489630       0.95324981       0.78759527 
O       5.65430992       9.72444670       8.68041698       0.53692787      -1.69513478       0.49443365 
O       9.13086621       1.00565927       6.58526888       1.47230941      -0.28530327       0.94034308 
O       3.92897883       3.81785803       9.00412775      -1.30474305       0.00923273      -0.27953469 
O       2.35194950       8.29110385       8.28940110       2.04529130       0.62389887       1.77033717 
O       0.18480881       4.38401466       1.40775906      -0.20335189      -3.26145579       0.55560893 
O       3.62937579       9.02617030       6.45021670       1.30126589      -0.47994115      -2.75625715 
O       0.31923124       8.59725642       9.41730842       0.07268287       0.30614135       0.53080876 
O       0.67836058       6.16518241       8.84606646       3.06461796      -2.94615451      -0.36316921 
O       1.55334400       9.33685254       3.95366901      -0.81572315       3.26286394      -2.43347188 
O       3.98780693       6.77487906       4.14080770       2.22580441      -1.81479966       0.93786300 
O       4.14264682       8.89270417       0.38308584      -3.22651725      -1.45139284       1.09215849 
O       4.00004956       9.22442420       3.51558109      -1.94827774       0.46856449      -1.55889925 
O       1.66367293       3.02703750       8.34362596       0.58304515      -0.12612878       2.63749981 
O       8.07045249       4.65599980       0.58760858      -0.30736552      -1.29512852      -0.28383290 
O       6.75309754       1.19232730       6.72897441      -2.03446610      -0.09165311      -0.96539779 
O       6.28891089       3.84916181       9.37155008       0.28098915       0.76747294      -1.37111887 
O       4.00017034       0.83980004       6.84291742       2.60770528       0.77979459      -2.08634715 
O       4.01935300       3.11983690       6.40491564      -0.83212250       3.73360644      -3.94641252 
O       8.81726055       3.84147323       8.46924203       2.08855311       0.74291534       1.01560843 
O       9.35718481       6.31197829       6.76112532       0.74522260      -1.77051398      -2.78891503 
O       9.39312281       3.30490915       5.68087837       5.19801970       3.64113766       2.04666169 
O       7.60767114       1.32183407       9.13824572      -0.42258397      -0.72103026      -1.17078669 
O       6.77219762       0.74078413       1.51843462      -1.40673073       3.82111432      -1.68584374 
O       9.19003991       1.39166089       0.71736308      -0.52562741       4.98737813       2.32948686 
O       6.42371084       9.00101646       1.30891762       0.69267046      -1.61719607       0.63250441 
O       8.93821529       8.77253848       6.65162354      -0.77244212       0.75368857      -0.33866037 
O       1.92329037       6.74894382       6.61778014      -2.80131805      -1.32950571      -2.47515759 
O       7.10811795       5.75690798       5.75495300      -0.71182420       1.64843050      -1.29722723 
O       8.94485724       6.68454257       9.34737902      -4.57218328       2.19143227      -3.07687660 
O       6.61765110       3.74985546       6.62364383      -0.82239605      -0.15647090       0.42702993 
O       6.29508156       8.17519079       6.60231529       1.23458075      -0.15120547      -0.55039592 
O       6.17854816       6.52892399       9.13028125       0.68229107       0.58902219      -2.16628034 
O       3.57056559       6.27810465       9.57041626      -1.26480958       0.55858059      -1.30019149 
O       6.17178040       6.54591084       1.07632747      -1.00688881      -2.60145128       0.94871257 
O       8.86083333       6.98855114       1.39216902      -0.07555060      -1.24120762       0.15800576 
O       9.10109448       0.72925991       4.22754748      -4.13984514       0.70303856      -3.96490244 
O       9.69900441       8.45494614       4.09701660      -2.84355015      -0.59717226       0.98024009 
O       9.39209377       9.48419120       1.70415504      -2.03273613       1.95720154       0.12298070 
O       6.21265720       3.72443882       3.98136425       1.10830038       2.53160758       1.77793500 
O       6.82778173       6.84330122       3.38062844       0.80712477      -2.25212850       0.12987023 
O       6.40509545       9.23199367       3.95333932       1.23968595      -1.93465493       1.03666258 
O       8.27592964       9.39748533       9.65010057      -0.05178808      -0.08714409      -0.30581254 
O       9.33361273       5.42514912       3.84765310      -0.43759643       2.41003961       1.47224347 
O       8.48104152       3.29654027       3.04017185       2.62931078      -6.09607899       0.69746425 
O       3.83535343       6.36415209       1.60647127       0.75939974       0.25740746       0.06567361 
O       3.28839317       0.25430040       8.97392073      -1.73674626       2.08078547       5.72640300 
O       4.95965755       1.71914986       9.68104996      -0.35389571       0.58198623       1.11670192 
O       4.24545463       5.91813812       6.93454084       0.87498257      -0.39225166      -0.57871476 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02725042388160655 0.00918510181646011 -0.010762624698261981 0.00918510181646011 -0.03689782033548945 0.009694627445159136 -0.010762624698261981 0.009694627445159136 -0.047004389049439814" pbc="T T T" energy=-928.02327406 free_energy=-928.02333679 config_type=crystal 
Hf      10.46271350      10.21805006      10.38538325       1.30831355       1.64386317       1.40731780 
Hf       5.11564966       2.26419596       2.49009476      -0.58377863       2.05064310       2.53299812 
Hf      10.06026111       3.02354200       7.59415227       1.49286778      -3.86069393       2.52328799 
Hf       0.00387993      10.23900863       5.26417174       0.97371477      -1.37652955      -1.76661208 
Hf       7.59094490       5.11315306       7.91632713      -0.56749197      -2.35264557      -2.92262262 
Hf       7.95619592       7.49213403       5.23771078       0.50605862      -0.56705804       1.05842605 
Hf       7.79364421       2.75999838       0.46559644       0.43232181      -1.43054207      -5.16279099 
Hf       7.98986579       9.99004463       2.59253216       0.49651367      -0.31030723      -0.81624489 
Hf       2.65522240       2.01305206       5.50404428      -3.91028451       6.01148987      -3.29515286 
Hf       5.28560819       2.48149395       7.91118550      -2.31158081       2.36855238      -0.09923479 
Hf       5.64673197       9.86816740       5.09861195      -2.88418965      -1.25828435       1.00617069 
Hf       2.13369919       2.64244045      10.29983787       3.78344663      -6.89629540      -6.16609059 
Hf       2.28384729       0.25125484       2.76138965      -0.97652939       0.03873585      -2.05259298 
Hf      10.22655312       2.69126454       2.47301277      -0.13882505      -4.75634575      -2.33348405 
Hf       2.44262436       0.10261397       7.77158408       0.47331581      -0.83874961       3.26782120 
Hf       7.47715480       0.27117129       8.09040086       1.64381603       0.94183358      -1.13286458 
Hf       2.28334732       5.08844822       6.98306601      -2.63609473       0.94039249      -1.14518685 
Hf       5.32187766       4.97888448       5.02347384      -2.61540791       2.81790452       1.36521337 
Hf       9.88530580       5.00177416       4.98591881      -1.90339818       1.45018989       0.20964571 
Hf       2.37574252       8.02771429       4.67997975       1.39885438      -2.17596483       3.86041169 
Hf       4.65095562       4.58461980       0.14103215       3.00475013      -1.26776863       1.15132919 
Hf       5.15127159       7.71311926       2.12375358       0.26043985      -1.82015843       2.02624070 
Hf       5.23929055       8.04938455       7.70069033      -1.09226935      -0.25296678      -0.19636752 
Hf       7.67887207       8.04782321      10.11702747       3.89194791      -2.87211548       1.59787789 
Hf       7.65087384       5.43171614       2.31810264      -1.30376142       1.56685935       1.81433455 
Hf       2.36800360       5.04510350       2.63554699      -0.55448370       0.15367469       1.35154126 
Hf       0.14455455       7.74091110       2.24957038      -5.68230440       5.88811054      -4.50189295 
Hf      10.29067356       5.59408447      10.22167712      -0.46533820       0.16724812      -0.08258816 
Hf       7.75374339       2.26666431       4.94845463      -1.02795380      -0.10125939      -0.25207783 
Hf       0.15937961       7.71131991       7.48893629      -1.64427925      -2.57750744      -0.08653140 
Hf       5.08516414       0.13999652       0.13177605      -1.59841421      -1.72703312      -0.04167389 
Hf       2.59644296       7.42264202      10.04935533      -0.53072491       2.26930151       0.86304656 
O       1.39573371       9.06601345       1.06518317      -0.38480201       0.61953259       0.46703765 
O       1.24229084       6.57100000       1.04818480       0.47386361      -2.72076132      -2.53766824 
O       3.63450852       1.58461261       6.97291307       2.32041157      -1.07000091       3.19141146 
O       0.81069008       1.29505765       3.78599599       1.13247243      -0.13219610       2.08739730 
O       3.81756236       3.09626357       1.09651981      -0.35815234      -0.74441831      -3.34063060 
O       0.93308057       1.43201887       8.73466214      -0.67343976      -1.47604263       5.09576259 
O       3.49713996       3.52008292       3.10941278       0.16031166      -0.23959114       4.03993901 
O       6.22478930       4.00443291       2.03685303       0.58559853      -1.31255630      -3.76095955 
O       3.68128469       0.87421625       4.43108608       0.20528640      -1.68868063      -2.62645198 
O       0.81097298       3.99969172       3.22784662       1.00339062       2.91107542       2.09912824 
O       1.18452244       1.28617928       1.38592866       0.87029619       0.16970219      -1.12627015 
O       1.18457017       6.96781802       3.42516306       5.37978150      -6.07906778       5.61225959 
O       3.92535626       0.79385436       1.59146756       0.46459600      -0.80545925       2.02438579 
O       8.99696165       0.61910849       6.03338448      -2.21511017       2.08031767       1.22068084 
O       1.65042387       9.18156145       6.39546319      -1.85777856      -0.48280728      -0.88380070 
O       6.17762002       0.61312884       3.75501174       1.57741364       2.16209651      -1.42126137 
O       6.50638649       9.37422033       9.33221779      -3.09460216      -2.05249612      -1.57555129 
O       1.13606132       1.36437927       6.72870009      -0.23732563      -1.22996206      -5.26792604 
O       3.75538361       3.40684292       9.05254188      -0.91269132       0.81002958      -0.56831593 
O       0.53969672       8.81409432       8.98335402       2.39869269       2.82032904       1.46301336 
O       1.19274186       3.76318794       0.76824661      -4.47255539       6.25759448       4.07223142 
O       4.13651227       9.48580917       6.48673714       2.25054994      -0.81743539       0.25598430 
O       8.80184666      10.05512744       9.36213532      -0.67323613      -2.79135787      -1.30338453 
O       1.46674656       6.35628549       8.69306548      -0.42626772      -0.56013360      -0.31719302 
O       1.22250240       9.24711084       3.68343413       1.03123127       2.31509793      -0.48286367 
O       3.24935571       6.26987884       5.06622408      -0.20493857      -0.88816623       0.04951646 
O       3.88114505       8.44498200       0.79047242       1.87462865       0.46149774       0.81273368 
O       4.10919486       8.58081978       3.98123572       0.95512963       0.88633111      -2.59140583 
O       0.98963615       3.81001058       8.64593493       1.60916022       2.39179458      -0.59421521 
O       8.91490172       4.12742844       1.32560671       1.32186384       0.06243432      -0.01439262 
O       6.40953186       1.27238127       6.48847841       0.24598984      -1.12927864      -0.89726024 
O       6.20472047       3.82339706       9.61712429       2.26418513      -0.44739928      -0.89056634 
O       3.33807989       3.99114460       5.79221529       1.08098360      -2.01468726       1.05929475 
O       0.72842010       3.93552815       5.80065440       2.95185791      -2.29322816       3.73873978 
O       8.96735580       4.31013292       9.05583622       0.88929803      -0.05540812       0.78243202 
O       8.70387508       3.57907555       6.25390072      -0.43524698       0.61451801      -0.01536182 
O       6.15977264       3.63707703       6.67858270       0.78111592       3.27127443       1.20789030 
O       5.88771696       1.08015067       9.05828950       0.40372655      -0.02208618       0.68513161 
O       6.57474889       1.54136219       1.22723050      -3.34038206      -1.86952407       0.09200868 
O       9.08796840       1.07886846       0.96239074      -0.07849667       3.11820231      -1.30260899 
O       6.26356783       9.46935808       1.45584894       0.38546375      -2.41003913       0.15764348 
O       9.64538052       8.33643683       5.83382063       1.48495659       2.17819147       1.91207704 
O       0.82200823       6.36819142       6.16094454       2.99274177      -0.84078109      -1.04905697 
O       9.14717454       6.20411269       7.16644389      -2.06534260      -1.41523519      -3.20818073 
O       9.34629242       7.01281315       9.20125444      -0.17312688       1.28234203       1.65768672 
O       7.18619298       5.70278883       4.91377896       1.39678855      -0.57916330       4.07820933 
O       6.94658733       9.14969344       6.48889705      -0.54683878      -1.75814247       1.65133778 
O       6.84961370       6.62504934       8.66271078      -1.52917066       4.65236652       2.10661948 
O       3.96419508       6.06324371       9.72524851      -0.92353535       2.64476081      -2.86154860 
O       6.74161518       6.53097725       0.84418736      -1.87414285       1.76686218       0.73227279 
O       9.11006118       6.76452956       1.20456637       0.40831310      -2.65618761      -0.42152982 
O       8.69994983       1.16423581       3.18139941      -0.03461101       3.24317545       3.78498650 
O       9.40219020       8.98844917       3.62847915      -1.98317921       1.10436907       0.76120577 
O       9.24807268       9.13706879       1.25056887      -1.31969510      -0.19406530      -2.00876712 
O       6.36722601       3.61549238       4.27425426       1.21177316      -6.25986095      -1.28581043 
O       5.66792121       6.00508293       3.36023987      -0.87977091       2.01087965      -2.48495799 
O       6.70443923       8.20110719       4.05373384      -2.14362922       3.91539246      -2.66703412 
O       8.29918595       1.92171248       8.93634403       0.16147901       1.29102903      -1.35690775 
O       8.84113636       6.38751391       3.75560926       3.62822624       0.41992533      -1.74435226 
O       9.11659136       3.57324546       3.83200362      -3.07195192      -0.43462144       1.19707927 
O       3.83582619       5.78846734       1.74178982       1.75749100       2.18482809      -1.55426891 
O       3.38717662       8.70859963       8.67036262       1.11752950      -1.54557375      -0.63599891 
O       3.27083120       0.63723521       9.57799808       0.63337770      -0.13040406       0.06924262 
O       5.35722212       6.36661908       6.68122918      -0.72664361       1.54862685       0.61707337 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00022867615545223664 -0.009938477077545433 -0.011205390558648701 -0.009938477077545433 -0.014573377096428544 0.002772376710741228 -0.011205390558648701 0.002772376710741228 -0.01821962319324339" pbc="T T T" energy=-933.34160049 free_energy=-933.34170641 config_type=crystal 
Hf      10.38143257      10.29021953      10.37285468       1.19497802       0.73016566       0.48377607 
Hf       5.10569830       2.43853009       2.53278911      -0.40836683      -2.89732138       3.99523126 
Hf      10.09534266       2.94658759       7.67711532       1.11166307      -0.40093690       1.85130219 
Hf       0.02501349      10.40127638       5.36499537      -2.54288276      -0.43331642      -1.96084517 
Hf       7.55947021       5.00978709       7.85326817       0.68786336       0.71855128       0.95038109 
Hf       7.86355832       7.38386611       5.22429698       0.07162859       2.72028485      -1.18071228 
Hf       7.69931978       2.77616112       0.34770977      -0.81766120      -2.50055685      -2.14342107 
Hf       7.95026483       9.95027589       2.54559848      -3.34226823       4.39416133      -1.26819144 
Hf       2.72263279       2.20503775       5.34535073       2.05215047       1.41068325      -1.15083016 
Hf       5.22118046       2.62012808       7.88854596      -0.59872731       1.56323482      -0.76724471 
Hf       5.77961116       9.82674595       5.12826897      -2.82510842       1.53046603      -0.07661321 
Hf       2.25858607       2.54197728      10.21806733      -5.18473421      -1.16485137      -2.85553691 
Hf       2.37418735       0.17810783       2.67811093      -1.32990048       0.46515178      -0.64083325 
Hf      10.15240867       2.69756425       2.49515809       0.27855220      -0.39850152      -0.01559891 
Hf       2.40661854       0.14126345       7.75639019       1.13075530      -3.06469742       2.20714847 
Hf       7.55630575       0.39080194       8.02189822      -0.35213163       0.05715532      -1.70201695 
Hf       2.14875660       5.12435074       6.93910358       3.56064154      -2.63610073       2.60415846 
Hf       5.30695798       4.95777122       5.14921320      -2.07140465       1.29259439      -1.42356241 
Hf       9.94467648       4.96056444       4.91022830      -0.40129319      -1.37686050       2.59202908 
Hf       2.35620076       8.07141570       4.63444864       2.42375563      -3.48645929       3.24927019 
Hf       4.64266712       4.44692458       0.25281420       2.80433568       5.84887188      -3.14458009 
Hf       5.17650633       7.65098541       2.14661417      -0.43743406      -0.61760179       2.35318964 
Hf       5.24715401       7.95573111       7.69527575      -1.31096488       1.06269329       1.56186688 
Hf       7.72584626       7.98115780      10.16926930      -1.85098341       2.92342821       2.26927507 
Hf       7.71653679       5.51567484       2.29949646      -2.10734266      -1.13543813       1.48039570 
Hf       2.32604858       5.14023215       2.74111432       3.95689932      -3.85829116      -2.38959183 
Hf       0.10783588       7.81487563       2.17140043      -1.00217039      -0.20259661       1.72319269 
Hf      10.30052016       5.64182018      10.17663311       1.18969767      -2.78291334      -0.61749988 
Hf       7.74469453       2.36187522       5.01513029       0.83046259      -2.96913321       1.85596600 
Hf       0.00318162       7.63328664       7.43449562       0.49712839       0.51587322       1.01604096 
Hf       5.10046614       0.04659249       0.04181959      -1.93016596      -3.10156654       1.58642770 
Hf       2.61392204       7.45725458      10.20224369       2.41382204       1.25480960      -2.47508424 
O       1.42288167       9.09591454       1.37505438      -0.39278966       0.43905826      -1.77550897 
O       1.25761734       6.37686361       0.80257281       1.75497108       3.37528421       3.11299845 
O       3.71704456       1.54537734       7.22270023      -1.75772867      -2.54860184      -1.73529764 
O       1.04125555       1.08122764       4.06726935       1.71297231       1.98269045      -3.49716875 
O       3.61751581       2.99311906       0.97128262       2.44647605       0.57722637       3.11624708 
O       0.74315567       1.31683844       9.21910674      -0.81041350       1.24157063      -1.91960268 
O       3.42526166       3.39095073       3.63050101      -0.37864646       0.29125471      -0.76957594 
O       6.41481122       3.84492802       1.67092977      -1.60375710       0.07710497      -0.64598421 
O       3.80222174       0.77598636       4.33264948      -1.30983693       0.06880263       0.84155375 
O       0.63350496       4.34965266       3.45441913       0.19256129      -3.87881580      -0.62102322 
O       1.38448275       1.44845583       1.32074851      -0.44278502      -0.93077148       1.75450349 
O       1.46264538       6.38429189       3.66844381      -2.00379899       7.83076137       0.99078377 
O       4.09699127       0.62041875       1.89060840      -0.11353941       0.21025658      -0.89574444 
O       8.81176370       0.79106648       6.23212789       1.63392100       0.53892593       2.15045928 
O       1.43559235       9.22942914       6.36034533       0.07934650      -1.08434350       0.15981623 
O       6.43664727       0.58535133       3.62773752       0.53067919      -0.10370681       0.46561229 
O       6.09029350       9.11985849       9.20556369       1.46512152       0.58663674       0.84870921 
O       1.26052432       1.26134948       6.25583645      -0.72450288      -0.67066751       4.69890940 
O       3.56318828       3.28456108       8.85328186       2.89681518       0.70848877       3.16049708 
O       0.67363551       9.07528640       9.02824711       0.75415321      -0.67805518      -1.24271512 
O       0.91771336       4.10708728       1.01215051       1.23391269      -2.42586059      -1.14614446 
O       4.17978959       9.20331471       6.34008873       1.27538839       0.22839068      -1.32506629 
O       8.61049805      10.01614095       9.40834234       0.52507640      -1.05027297      -0.29089703 
O       1.55590278       6.24562677       8.78604856      -1.48460766       1.16102935      -1.29129349 
O       0.98528734       9.10062475       3.66246207       2.08030976      -0.30739418       1.10935426 
O       3.56912805       5.99904875       4.73255472      -0.96611560      -0.76232481       0.85214773 
O       4.04286804       8.43937390       0.72002851      -0.39990999       1.27775162       0.12526197 
O       4.13347738       8.22799549       3.86239747      -1.87485770       2.28182858      -1.03249960 
O       1.41932054       3.84888738       8.26048655      -2.78464542      -1.76599845       2.97601306 
O       8.82311827       3.95929396       1.38154060       0.67408243      -0.59198270       0.42310782 
O       6.40910882       1.05124930       6.35026805      -1.30828965       0.57009025       0.55650094 
O       6.35294980       3.76498948       9.49733078      -0.89693726       1.18367054       0.57452657 
O       3.71173076       3.82207203       6.35470928      -0.27721836      -0.08704872      -1.42128604 
O       0.96193358       3.73013212       6.09260245      -1.59007058       0.38158415      -2.70365284 
O       9.22560636       4.18355585       9.21015950      -0.23150369       0.62300507      -0.92223781 
O       8.48702075       3.65425615       6.56668384       0.83766508      -2.49957340      -1.16623735 
O       5.91546641       4.37164812       7.04884388       1.55943664      -4.68469027       0.84930501 
O       5.98377668       1.15121355       9.10211734      -1.04872731       0.52574007      -0.50385113 
O       6.19606523       1.39580833       1.21071212       2.10808398       0.89969621      -2.28980711 
O       9.11815030       1.23789650       1.19692866      -0.58705346       0.60240297      -0.53425673 
O       6.36029791       9.11512745       1.44343436       1.78475882       1.77264192      -1.94419151 
O       9.41522983       8.68226091       5.85140353       0.65854084      -2.87436082       3.12696763 
O       1.00812657       6.41103648       6.22139281      -0.41980368       3.17607625      -2.65624021 
O       9.32297635       5.68231307       6.82849720      -0.64015123       4.14881924       1.20738659 
O       9.45422972       7.14918638       9.20679619       0.34906834       0.59228064      -0.17531725 
O       7.35404926       5.54256764       5.05698703       0.68344281      -0.16353173       0.93147104 
O       6.93508184       8.75960644       6.67307863      -0.31373877       0.16994403      -1.71220290 
O       7.15648142       6.86002987       8.86996635      -2.14371012      -4.35851806      -4.45097062 
O       4.05726095       6.14260859       9.68972466       0.09358374      -1.34666501      -0.35485528 
O       6.45103736       6.60318346       1.03268028       4.44339966      -0.47829828      -2.52323999 
O       9.33680418       6.33064434       1.37630540      -0.99072754       1.47441699      -1.57779256 
O       8.92737188       1.36922418       3.82186910       1.33513943      -1.33719337      -2.09844363 
O       9.16852245       9.15898114       3.60418061       1.56261165      -2.30819551       0.64669205 
O       9.07656861       8.93555080       0.97204885       2.15692897      -0.59708482       2.26727764 
O       6.09091603       3.02807167       4.39102063      -2.91770587       1.91083134      -1.40244492 
O       5.91288241       5.88306651       3.15125392       0.81838306      -0.45457555       2.48580412 
O       6.55449491       8.41165009       3.80335156       2.70945412      -0.42462096       2.03624839 
O       8.16007194       2.19523971       8.69786717       1.08784122      -1.66948802      -0.31028267 
O       9.46873911       6.39142104       3.75894023      -2.77346661       3.09549513      -0.33374766 
O       8.80150871       3.67169032       3.89835368       0.11277015       1.39124316      -0.87076640 
O       4.07029702       5.96524973       1.73654311      -3.27330125      -2.92326447      -0.74499740 
O       3.56556766       8.69442379       8.54186783      -2.04496775      -1.05783249       0.58736529 
O       2.99813174       0.30977660       9.74687346       1.57799347       2.59991597       0.11311442 
O       5.44989540       6.33312996       6.67749997      -0.34606133       2.61778143      -1.16439032 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008206159127097407 -0.00762828283182498 -0.0022422691938958545 -0.00762828283182498 -0.011237319148378376 3.635674072619697e-05 -0.0022422691938958545 3.635674072619697e-05 -0.025838156132455284" pbc="T T T" energy=-933.1508799 free_energy=-933.15109573 config_type=crystal 
Hf      10.35832634      10.32989051      10.37379361       0.90998818      -2.33413607       0.02471927 
Hf       5.09624376       2.50004403       2.58009016      -0.88226538      -5.90018117      -0.00197343 
Hf      10.12192743       2.90472342       7.72942068      -0.20009799      -0.85169867       1.15017022 
Hf       0.02185625       0.00207618       5.39439743      -2.68380355      -1.88535884      -3.27913636 
Hf       7.55237601       4.96558330       7.83135833       4.67120064       2.02085184       2.35832089 
Hf       7.82303330       7.35418072       5.21059715       1.50877339       2.13221933      -0.58599316 
Hf       7.64942008       2.76178004       0.27537849       1.14353799      -2.42013091      -1.91937604 
Hf       7.90916803       9.96876506       2.51329351      -0.52738700       0.68638165       1.56361357 
Hf       2.76196518       2.30584589       5.26755745       0.13062380      -3.97427018       1.33305517 
Hf       5.18555027       2.68822201       7.87874771      -0.49337386       0.38667447      -0.71815247 
Hf       5.81579365       9.81708889       5.14391992      -2.06337684       2.01929618      -0.91858612 
Hf       2.28237575       2.48787655      10.16196735      -3.84673555      -1.53708616       0.41844124 
Hf       2.40230772       0.14838968       2.63440691      -0.49816375      -0.26605693       0.22712723 
Hf      10.12306030       2.69148988       2.50284897       0.77165668      -0.42968622      -0.43038740 
Hf       2.39863105       0.13728755       7.76766637      -2.18984901      -6.33143341       2.51368413 
Hf       7.59046178       0.44259121       7.98172245      -1.76374649      -0.31304536      -0.64134700 
Hf       2.10305259       5.12500561       6.93540765       2.72232047      -0.61356306       2.14197663 
Hf       5.28460312       4.95874071       5.19350741      -0.29109107      -2.23065985      -2.89957103 
Hf       9.97071314       4.93185074       4.89936878      -3.83108487       2.80971109       2.48250453 
Hf       2.35498145       8.06264648       4.64546275       2.97590985      -1.08483953       3.89265997 
Hf       4.66929680       4.41869400       0.28476113       1.22119469       3.83544046      -3.75992462 
Hf       5.18606511       7.61377283       2.17190208       1.07990233      -0.28282706      -0.25195800 
Hf       5.23943833       7.94612126       7.71662564      -1.61242115      -2.39591227       0.11610775 
Hf       7.73862706       7.96737288      10.20573522      -2.94193884      -0.06203199      -2.25803935 
Hf       7.73066249       5.54783852       2.30407197       0.65461441      -2.80894425       0.07096947 
Hf       2.33225556       5.16558924       2.77563990       0.37323809      -1.26643964       0.58553358 
Hf       0.08707878       7.85106262       2.14926536      -0.96137094      -0.79235406       2.73813300 
Hf      10.31348956       5.64393530      10.15316171       2.64705924      -1.66480701       0.14721196 
Hf       7.75180474       2.37849147       5.05501625      -1.64790162      -2.15902023       0.41802749 
Hf      10.40164029       7.60181823       7.41893018       2.24790315       0.64537105       0.66070485 
Hf       5.09332578      10.45035208       0.01186794      -1.92464848      -2.03051754       1.70958466 
Hf       2.63655865       7.48241616      10.25303522       3.48255903       2.44422157      -4.01957250 
O       1.39781010       9.14889968       1.39846507      -0.45470893       0.73572927      -2.26684929 
O       1.39529413       6.50691043       0.89313653      -1.68405981       0.28952130       2.48855680 
O       3.63240408       1.33816689       7.20182927       2.42133194       2.08038850      -1.17383507 
O       1.28812893       1.14235779       3.98462018      -1.13848965       1.45693075      -0.05638104 
O       3.61065689       2.88900497       1.12137253       1.50349752       2.79026950       0.26180126 
O       0.58923806       1.32684152       9.34721544       0.30321057       2.98164028      -2.71764841 
O       3.37781921       3.35533813       3.85252773      -0.32250055       2.54449122      -4.29174007 
O       6.39916844       3.74889310       1.41974432      -2.85325013       2.30584716       2.66370628 
O       3.77330739       0.69694332       4.29647945      -0.60529588       0.60795120       1.94912708 
O       0.53184058       4.25379839       3.55919437       4.08424447      -2.31703100      -3.18833744 
O       1.46504507       1.45057565       1.40986507      -1.41935715       0.22848143      -0.19285398 
O       1.49478739       6.55778223       3.79479900      -0.47698193       0.34085764      -3.67044020 
O       4.15753886       0.54709706       1.99257661       1.49416609       0.69777544      -1.96631918 
O       8.80360834       0.94085717       6.49421880       2.84883991      -0.09016208      -0.98612737 
O       1.28795707       9.16168634       6.33211055       1.98676484      -0.28879572       0.39557530 
O       6.60283671       0.59911784       3.59384430       0.57342008       0.38901085       0.14455448 
O       6.00675208       8.99555687       9.19266619       1.63462361       1.39337558       1.13482178 
O       1.22961470       1.14249542       6.31583300       0.33925517       1.84296705       3.76106326 
O       3.66643975       3.29761609       8.99245396       2.09468662       0.90303806       2.69053591 
O       0.82510968       9.15180468       8.95371395      -0.68568168       0.45603113       0.59154736 
O       0.86932393       4.12348551       1.02861929       1.77328814      -1.47603772      -0.80416035 
O       4.34400814       9.09416742       6.15537286      -1.06933548      -0.79830023       0.93987671 
O       8.49898686       9.88588396       9.35249229       1.58079819      -0.20996334       1.03183653 
O       1.48734948       6.27455619       8.72710648      -1.27166084       0.28925758      -0.73415399 
O       1.04296321       9.06844098       3.70872518       1.20900690       0.93230817       0.20166353 
O       3.62730641       5.79795537       4.65416246      -2.53636805       0.44355670      -0.41376149 
O       4.14691850       8.53968405       0.73619146      -1.25727299      -0.22050731      -0.02994471 
O       4.16759908       8.28970912       3.63031178      -3.37942287       1.31393030       1.37119082 
O       1.44837754       3.79499325       8.25658768      -1.65808255      -1.70974587       3.37152372 
O       8.87000319       3.87004606       1.44752235      -1.44870824      -0.13143247      -0.40513183 
O       6.32580530       0.99959222       6.31439326      -0.24137871       0.83088784       0.57113384 
O       6.40204581       3.81472079       9.47276693      -1.30705414       0.87282727       0.22490007 
O       3.87975796       3.71861595       6.50691744      -1.86472770       0.64490095      -1.60781995 
O       1.01049099       3.64482788       6.10936574      -1.72956871       1.24075062      -2.90899842 
O       9.30835653       4.19024846       9.20945377      -0.22410396       0.18837831      -0.87625781 
O       8.43604596       3.54336498       6.61240041       1.95766537      -1.84127840      -1.78211258 
O       5.94821923       4.50567524       7.23494422      -3.09279552      -6.81316996      -1.08639716 
O       5.94414422       1.23284709       9.10112263      -0.45851568      -0.68103321      -1.53279449 
O       6.17640490       1.37105252       1.00310227       1.87783438       1.25068144       0.60733477 
O       9.07766285       1.41573776       1.24373675      -0.32741005      -2.45348156      -0.86978832 
O       6.50051307       9.02704789       1.29479307       1.27312549       1.94065426      -0.11295443 
O       9.40026787       8.65292666       6.12082665      -1.17307947      -0.75115624       0.43009803 
O       1.17569650       6.60442088       6.03949444      -0.09312109      -0.10858916       0.62848493 
O       9.27654190       5.70436473       6.72239745       1.89610307       3.59899075       1.92677650 
O       9.51084704       7.27561410       9.22271967      -0.34161348      -0.80116053       0.72785004 
O       7.48174999       5.44693336       5.25935111      -0.26048165       0.49768428      -0.37467177 
O       6.89380649       8.57121662       6.64828294       0.06500929       1.46783534      -1.86256267 
O       7.13586364       6.72146439       8.68892097      -0.61373886      -0.07406562      -0.23441783 
O       4.02076269       6.25579489       9.53057039       0.97178803      -2.42053723       0.83653027 
O       6.60632562       6.65752983       0.96678194       2.14868250      -1.49111471      -0.78457832 
O       9.32868943       6.18227895       1.32239275       0.46968242       2.65548754      -1.65595069 
O       9.08491729       1.41959026       4.01207522       1.72079211      -0.92801009      -0.99434201 
O       9.22017817       9.02560188       3.70480779      -1.68180950       1.80881372      -2.17261196 
O       9.12308501       8.76439002       0.95357307       1.85008680       1.42312111       2.13578096 
O       5.71393062       2.88299266       4.31883044       3.20104845       1.93656049       2.58760295 
O       6.05692171       5.83057119       3.20691464      -1.22152300       0.43333697       1.75566016 
O       6.65816607       8.51688302       3.81329184       1.48582594      -1.43403609       0.46061799 
O       8.18167544       2.21105299       8.55495079       0.82590841      -0.85008361       2.04347432 
O       9.55006881       6.68067562       3.66260734      -2.94364461      -2.44822416       2.19456472 
O       8.61737099       3.77692723       3.88759547       0.25598986       0.70388116      -0.89446674 
O       3.95066552       5.88615592       1.69221070      -0.63382644      -1.67967828      -0.34791089 
O       3.50061704       8.55266926       8.55419345      -1.23214381       1.02720718      -0.92125957 
O       3.01406758       0.36663852       9.86549266       0.87581582       2.54253397      -1.16113947 
O       5.48204485       6.23196870       6.44088211      -1.22317722       8.53737568       2.11474160 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04028976720916586 -0.013104384171775327 0.006417050421611046 -0.013104384171775327 -0.020156569675741958 -0.012431894905603157 0.006417050421611046 -0.012431894905603157 -0.04729440505889075" pbc="T T T" energy=-920.61386965 free_energy=-920.61403102 config_type=crystal 
Hf      10.37271172      10.39339324      10.45809927      -1.08406517      -1.93587116      -0.56711058 
Hf       5.17779859       2.23193526       2.29492032       2.32400546       5.70306900       1.19859644 
Hf       9.82461503       2.49616337       7.68844749       3.93954691       3.61889182       1.93527561 
Hf       0.06781794      10.15959455       4.80889926      -1.89545440       0.77196018       1.10977572 
Hf       7.27167943       5.66719077       7.81127390       0.20837359       0.07383934       3.08053039 
Hf       8.02353409       7.35153947       4.96287203      -2.00210060       3.74344264       6.53448458 
Hf       7.89181853       2.58103096       0.25113595      -4.43492548       1.22228465      -5.02221558 
Hf       7.71827501      10.46143715       2.33657988      -2.12693624      -5.82151957       3.39079058 
Hf       2.88210942       2.32858559       4.99133235      -1.48047181       3.42033691      -0.75544709 
Hf       5.37475248       3.16920241       7.78877921       1.07985967      -0.25136850       2.43527810 
Hf       5.35240400      10.42573275       5.62658778       3.77486023      -2.22218802      -1.70318790 
Hf       2.20527983       2.21825175       9.75004765       2.54943166      -0.63685579       0.78712331 
Hf       2.72961154       0.03132869       2.29810854      -3.03137870      -2.28257875       0.64614966 
Hf      10.10708082       2.73332715       2.22636462       5.07266317      -2.58297633       3.57949505 
Hf       2.23492995      10.19399727       7.69477525      -1.27148459       0.92160492      -2.30558349 
Hf       7.62372242      10.20813135       8.01147838       2.22882484      -0.41112760      -3.74520372 
Hf       2.34898892       5.19925304       7.97334929       1.04233059      -2.69335528      -2.57512073 
Hf       4.98787693       5.08754896       5.06123348       0.61589222      -1.92909095       0.95911803 
Hf       0.45044337       4.88380460       4.77543223       1.52115497      -4.99679070       5.29972960 
Hf       2.48689932       7.59128756       5.05512269      -2.86467160       2.68853913       1.80290543 
Hf       5.12007163       5.34795786       0.23520105       2.56849332       3.16942530      -1.05330825 
Hf       5.17813591       7.73203074       3.00776107       1.10873802       0.22499361      -0.67506790 
Hf       4.69388473       7.59891491       7.78314483       0.98692360      -2.95748195       0.70690924 
Hf       7.71867650       7.92047446      10.34180178      -2.81676368      -6.64536634      -0.73714328 
Hf       7.80199603       4.93167511       2.35706988      -3.47855430       4.09399969       0.54906701 
Hf       2.55310002       4.96391949       2.35255842       1.69340655      -1.47284596      -2.06404640 
Hf       0.04631063       7.14821417       2.54792930       0.00915226       3.16502917      -1.99934829 
Hf      10.19903015       5.07955143      10.15261779       0.07943110       3.14114385       0.42840844 
Hf       8.03360791       2.26922298       5.20427368      -3.37158963       1.92499230      -1.65570589 
Hf      10.03998745       7.59274812       7.58465367       1.86689024      -2.13040239      -2.37842461 
Hf       5.20891701       0.34224809      10.21235446      -1.62077346      -2.80717766      -0.63588918 
Hf       2.31288807       7.92717869      10.23911685      -1.16598856      -1.94126369       0.89285943 
O       1.22012824       9.01196965       1.43933066      -1.80503023      -0.08158198      -0.75170826 
O       1.27586568       6.36876067       0.97874136      -0.24519687      -0.69482536       1.63975400 
O       1.88411590       1.84977829       6.46980378      -1.18905664      -3.30421136       0.35350323 
O       1.33476118       1.20746791       3.44320355       0.39184288      -1.77226858       0.17036302 
O       4.09854142       4.03960154       1.09323625      -2.77066895      -2.02556143       1.64569553 
O       0.84882096       1.07044065       8.63035201      -2.06422271      -0.91525443       1.51771557 
O       4.07418961       4.01910641       3.71685794       1.20906489      -0.23048489      -0.77957539 
O       6.51654708       3.74399795       1.35516263       0.73774290      -0.15252832       0.70180741 
O       3.78828118       1.49234950       3.38265920       0.63844301      -2.81449377       0.59079864 
O       1.81362280       3.70078092       3.87791978      -1.98897971      -0.53404908      -2.80531649 
O       1.19938999       1.16592903       0.79817083       0.03907316       0.49312473       0.38118216 
O       1.61565568       6.28778756       3.67455168       1.46040750       0.10295570      -2.45297524 
O       4.07687513       1.63422648       0.78028054      -2.31688467      -2.00993360       1.07877681 
O       0.43669089       4.07802086       6.81077876      -3.65235094      -0.28628508      -2.01296989 
O       1.00679056       8.55128730       6.36080908       1.60689505       2.94915515       1.26605614 
O       6.69617669       0.89283384       3.88465510      -0.88523612      -0.11791861      -2.01383508 
O       6.74670238       9.54410036       9.51696265      -2.83708988       1.66221502       2.91574576 
O       9.26024603       1.20954650       6.43845813       3.67783177      -0.81477650       0.15369241 
O       3.71268570       3.74831955       8.70891748       1.02119663       0.77393989       0.60250147 
O       0.80011817       9.00626976       9.34283994       0.69965886       0.00023043      -1.69050113 
O       1.04523647       3.80727168       1.38210452       1.88372377       1.02374799      -1.39315787 
O       3.70109532       9.64123946       6.06982863      -3.54600531       0.40833058       0.55870083 
O       8.90046234       8.68420427       8.54599214      -2.71591185       3.22974746       0.91793427 
O       1.06702637       6.23945810       9.04314512      -2.14678894       0.46305688      -0.85698865 
O       1.13909767       9.05281306       3.78685432       1.37244883      -3.00470119       0.06859200 
O       4.26337329       6.80505720       5.02635142      -1.69033324       2.10775837      -0.83036531 
O       3.46107867       9.20745106       0.48293642       3.10382032       4.38528484       1.70211661 
O       3.63614292       9.08558608       3.61997578       0.00237817      -0.60133165      -1.96920296 
O       1.45824005       3.44409276       8.59948625      -3.00415491       1.54052790       2.22666669 
O       9.15816928       3.92048278       1.03740315      -3.33437202       0.55522108       4.07319501 
O       7.22663458       0.83505613       6.16693037      -5.18552020      -2.78205449       3.35151271 
O       6.68720737       4.20481301       9.45007359      -0.96533920       1.53847967      -0.69634692 
O       4.61103784       2.14831628       6.31329787       0.04380841      -0.86361471      -2.45854861 
O       2.46056960       4.71701482       5.79250499       2.69976375       0.69492966       2.14568721 
O       9.25634475       3.30416846       9.55962655       2.70387612       0.32058778      -4.84481015 
O       8.92669315       5.81415391       7.00281563       2.14163250       2.52267597      -2.92778119 
O       7.69746381       3.53974692       7.21060162       0.29127606      -1.64300025      -1.95544219 
O       5.70102130       1.87642649       9.26174510       2.11476817      -0.78648289      -1.34843272 
O       6.55327884       1.34155500       1.10057755      -1.81572601      -3.71287776       0.81075579 
O       8.85240396       1.19309541       1.37462244       4.56036286       2.41160434       0.79220238 
O       6.24483773       8.83257375       1.74608347       0.41436864       3.13656347       0.16490006 
O       9.12380100       9.04792304       5.94318865      -1.35163591      -3.20366414       2.75804864 
O       0.08116360       6.60315740       5.27591524      -1.88554722       4.33158223       0.97753641 
O       6.48450837       7.13573616       6.35347332       1.65040809      -3.16892494       1.85342154 
O       8.76713614       6.49199453       9.27191071       0.80518742      -2.15067435      -0.77648997 
O       5.47927685       5.07326553       7.17948299      -2.75366302      -0.42820437      -1.71862913 
O       5.83015872       9.04004053       7.32962670       1.96799928       6.19278108      -1.16293932 
O       6.11796676       7.24064694       9.43809104      -2.05079661      -2.62863170      -3.69220691 
O       3.76196685       6.67102725       9.55641018       0.00066593      -2.76973703      -1.25885046 
O       6.65855091       6.49186736       1.39059292      -0.40466744      -2.21260489      -0.50900826 
O       9.19540687       6.34293218       1.05520092       1.51470576      -0.87368805       1.73231624 
O       9.60837612       2.27367164       4.04804943      -0.22761877      -1.08087583       0.44979522 
O       8.96304907       9.53854343       3.82141570      -0.66160096       2.95826135      -3.57840235 
O       8.66692238       9.06506657       0.82291576       5.70112612       6.83541277       4.42279041 
O       6.87606367       3.35624586       3.86505316       0.43431825       1.51944902       0.27481052 
O       6.16451739       6.03219720       3.86380067       2.64785208       0.15785244      -1.38507941 
O       6.09844761       8.67752181       4.62213390       0.70726124       1.18248496      -1.21479487 
O       8.55514001       0.84321348       9.44972873       1.08230988       0.81175802      -1.13662277 
O       8.56909251       7.24700725       3.27235989       1.81947482      -2.03259281      -4.70834534 
O       9.40635271       4.66673017       3.51798183       0.73171181       0.11772033      -0.96126993 
O       3.90223224       6.47550869       1.51294353      -0.05578432       0.70282029       3.17191323 
O       3.34278308       8.83661297       8.35852481      -0.35841194       0.94585741       3.13445175 
O       3.36063025       0.94939392       8.74059773       1.26684805      -0.38851705       1.18051190 
O       2.77424204       6.94835078       7.21229861       0.75596467      -0.05700711      -3.26731606 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.019076314398308317 -0.0005056811337038828 0.0016453191213611298 -0.0005056811337038828 -0.0038934580925823483 -0.01183284521436452 0.0016453191213611298 -0.01183284521436452 -0.03609500222960687" pbc="T T T" energy=-925.66821431 free_energy=-925.66825601 config_type=crystal 
Hf      10.31451127      10.37299085      10.45547947       1.18891902      -1.98558443       0.27623613 
Hf       5.22559856       2.28093581       2.32897368      -0.95699261       3.99486706       0.86540330 
Hf       9.79146450       2.49766213       7.71091393       4.34097143       1.67323173      -0.29361685 
Hf       0.06749401      10.12919160       4.86600997       0.38120439      -0.65318700      -0.35717983 
Hf       7.21580322       5.65841602       7.88062880       2.35570865       1.25636944       0.17546528 
Hf       8.06743854       7.36856567       4.90343480      -2.85597605       1.93305308       5.08279607 
Hf       7.87904045       2.56889886       0.20737153      -4.69523175      -1.12593740      -5.38399163 
Hf       7.73805425      10.42272382       2.33695143      -1.06140197      -4.95280040       2.37367154 
Hf       2.87039837       2.35053614       5.00742330      -4.00734802       1.41122422      -0.97783470 
Hf       5.39746152       3.18607235       7.81628491       0.78306622      -3.68879599       0.59097584 
Hf       5.36688975      10.39586117       5.65241501       0.89364194      -2.79554538      -0.35519219 
Hf       2.25576303       2.25645421       9.76197095       1.34704650      -0.94345509       0.21248015 
Hf       2.75687296       0.03032812       2.21713605      -3.36145374      -2.58716518       1.24931998 
Hf      10.11124364       2.71354813       2.27669658       5.92416679      -1.02018356       2.37521095 
Hf       2.26258479      10.20550632       7.74548200      -2.23431820      -0.40324873      -3.46452300 
Hf       7.66110455      10.22445297       8.03344757       0.26827622      -0.60237363      -5.24717435 
Hf       2.37850287       5.17864331       7.89792891      -1.11756589      -2.07947017      -0.76660960 
Hf       4.92976461       5.08756906       5.09313844      -0.71463569      -1.36105854      -1.63365894 
Hf       0.51326067       4.91522884       4.80556766      -0.43118428       1.37535556       6.00272694 
Hf       2.54611551       7.57473987       5.10562974      -3.44323849       4.56796642      -0.22128699 
Hf       5.09211976       5.37179180       0.19010031       0.69482452       0.76792097       0.97669938 
Hf       5.20231964       7.74771895       3.02481103      -0.55569160       0.29081188      -1.99807490 
Hf       4.63391047       7.54679962       7.73597545       2.24376299       2.04499304       0.30710408 
Hf       7.69424043       7.88154323      10.32874059      -1.62577058      -0.50031777       1.86720623 
Hf       7.79785717       4.97586184       2.31910279      -2.55129132       3.87323287       2.97066905 
Hf       2.49885633       4.94159142       2.36523006       2.09324389      -2.58583582      -4.41639629 
Hf       0.09031724       7.15933754       2.49866615       1.25771118       5.75173406       2.56492971 
Hf      10.15740073       5.11944220      10.14496113       1.38049451       2.21411001       1.13252952 
Hf       8.02702791       2.25691682       5.18028923      -5.31660626       0.60224418      -0.40296891 
Hf       9.99143893       7.57995759       7.52531073       0.64605668      -0.09124981      -0.76353053 
Hf       5.20312093       0.26718534      10.24336780      -1.71140721      -2.89247622      -1.68612678 
Hf       2.33851487       7.92099536      10.24082326       3.09259778      -1.48196451       3.71935932 
O       1.13263113       9.20238364       1.42400710      -1.33249200       0.35495227      -0.72942762 
O       1.36082349       6.63060553       1.19382114       1.64142319      -2.36739310      -1.75069482 
O       1.52691737       1.72986578       6.34326742       0.74303528      -1.55296049      -0.57738386 
O       1.46258656       1.26275415       3.51284397      -2.03244588      -1.67161937       0.30885978 
O       3.89449845       3.99525478       1.22478120       0.55611368      -0.71111740      -0.65255111 
O       0.79602767       0.92805836       8.65633791      -2.00467951       0.54658066       1.82664591 
O       4.02329153       3.87558739       3.70820763       0.69853293       0.36297865       0.54332690 
O       6.56795538       3.71616738       1.37038164      -1.68289275      -0.94577590      -0.37978373 
O       3.67528232       1.43056710       3.35143130       4.12087296      -0.49383488      -0.28881201 
O       1.54377476       3.76864564       3.72496538       0.55921058      -2.04403539      -1.82397287 
O       1.16587513       1.27568503       0.79680353      -0.28902795      -0.39152839      -0.49503487 
O       1.85809871       6.30557706       3.59323464      -1.04559422       1.44734557       2.44534171 
O       4.07109308       1.68083268       0.61580494      -1.06038697      -1.30161552       2.45182356 
O       0.54773298       4.24443554       6.78751606      -3.50791021      -0.01633770      -1.86567184 
O       0.96841509       8.69737170       6.47723007       0.36745335       3.24476138       0.90506880 
O       6.74536385       1.02848856       3.97324939      -0.38082280      -1.58083667      -1.31065983 
O       6.82019917       9.46872163       9.43062226      -4.38554623       0.28340994       6.26512879 
O       9.32621668       1.23614080       6.23033115       1.37826367      -1.18484043       2.20075619 
O       3.72572093       3.66857244       8.71102046       0.87801672       1.63290193       0.58185784 
O       0.89120604       8.80227484       9.55017348      -2.84019476       3.19214102      -3.54618830 
O       0.91197066       3.76784142       1.15709514       1.64769524       2.80892539      -1.18427813 
O       3.58173417       9.67129410       6.19144964      -0.83279558       0.44124974      -0.90479594 
O       8.93350309       8.90901396       8.63180849       2.49580181      -1.08811110      -0.07580700 
O       1.05689195       6.38980412       9.12122820      -0.99188705      -2.13538184      -1.50437727 
O       1.19879625       9.03582945       3.76698863       1.07149439      -1.68174588       1.71447768 
O       4.38419562       6.95710293       5.02502818      -2.31315393       0.43416448       0.26661423 
O       3.56562700       9.30362664       0.70333900       1.14882501       1.75317195      -0.23186397 
O       3.73849566       9.13785596       3.61088191      -0.22069756      -0.73513488      -1.30622811 
O       1.40495453       3.52403297       8.58724822      -1.68982905      -0.17401510       3.08290118 
O       8.92625179       3.83583959       1.13894465       1.09304478       1.91798412       1.85360967 
O       6.90163406       0.79659975       6.54970494      -1.04046422       2.38101155      -1.72539182 
O       6.92400860       4.30925836       9.37841863      -2.55749457       0.06530010       0.37126079 
O       4.43966062       2.13419937       6.22295154       1.91002309       0.08693761       0.20147235 
O       2.58949372       4.61021991       5.83277391       2.82089360       0.76127014       0.55460976 
O       9.33000115       3.42272946       9.48308241       0.68712192      -0.58086466      -2.07620281 
O       8.96369043       5.86804427       7.07744434      -0.08220118       0.89068769      -1.98246057 
O       7.67622109       3.46756164       7.18086924       0.89593751      -1.35590860      -1.98222415 
O       5.83950859       1.80241863       9.24619002       1.47961369       0.49525938      -1.51514275 
O       6.50797003       1.19137006       1.06568272       0.05474051      -1.29505549       1.92262007 
O       8.97683651       1.25312912       1.43236813       1.04834225       0.62603660       0.01977485 
O       6.21650918       8.85749325       1.70641166       0.72753067       2.58659001      -0.18875894 
O       8.73081707       8.85385258       5.89325452       1.21169378       0.77226840       3.17038546 
O      10.46293988       6.92816713       5.41624134       0.32255232      -2.06780363      -1.58251413 
O       6.43511753       6.95755507       6.39013182       1.83849153      -0.45290068       0.73649853 
O       8.72492418       6.63323767       9.23928442       1.31898055      -2.79394990       0.12205015 
O       5.45432407       5.04388324       6.99676711      -1.99653528      -2.05110323       1.93626756 
O       5.83645047       9.14941001       7.42159058      -0.44054022       1.77822018      -2.71083642 
O       6.07262781       7.19396068       9.38025650      -0.68745213      -2.69697284      -2.83608958 
O       3.82016112       6.56212403       9.46586918      -1.53707030      -1.77239214      -2.85876065 
O       6.57369337       6.39285973       1.29280303       1.21582671      -1.20374594      -0.57330939 
O       9.39425358       6.38653343       1.18603481      -1.49753121      -2.83446548      -2.97661568 
O       9.60069445       2.36882572       4.09093982      -0.37562510      -0.72675451       0.36649120 
O       9.15181127       9.35942175       3.64415480      -1.13570220       3.35086505      -1.38247398 
O       8.62784128       9.11053164       1.05060406       2.70808912       2.41017390      -0.30447483 
O       6.87954870       3.40128485       3.86517216       0.53232542       1.72591031       0.09355888 
O       5.94616964       5.90594112       3.72428497       3.24140324       0.45496086      -2.00155518 
O       6.16179816       8.66184648       4.40334542       2.29375011       1.52373374       1.51816344 
O       8.45421246       0.85132270       9.39002460       2.80674312       3.66569118       1.41759155 
O       8.70282019       7.06118761       3.23421824      -1.36963426      -1.91334003      -2.41281211 
O       9.54730218       4.74731269       3.50224516      -0.66314091      -0.11514015      -1.51448809 
O       3.90826569       6.40287640       1.30957009      -0.48713351       1.55701581       3.55411199 
O       3.55227779       9.09900124       8.56314352       0.73356108      -3.63866446       2.63094656 
O       3.38887110       0.96525000       8.64428326       0.96764749       2.48369918       2.23559640 
O       2.69028333       7.02198269       7.09919918       1.02535630      -0.43704757      -0.86246337 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003986863325224724 0.01775410472273445 0.011098271613226627 0.01775410472273445 -0.013177154669413587 0.0037388309142901708 0.011098271613226627 0.0037388309142901708 -0.031157985125930505" pbc="T T T" energy=-923.16952722 free_energy=-923.1700134 config_type=crystal 
Hf      10.22502913      10.31558793      10.45663536       1.19815654       2.19917134      -1.17973590 
Hf       5.29808579       2.42069548       2.40351741      -1.43622334      -0.46120835       0.92574207 
Hf       9.79646064       2.51297774       7.74056394       2.82845118      -1.68781489      -0.74351978 
Hf       0.08358119      10.07137213       4.96213123       2.90597412       2.82961231      -0.39069135 
Hf       7.15973107       5.66252630       7.99604828       5.85168697      -2.16821941      -3.83380846 
Hf       8.10739148       7.41135003       4.84607259      -1.65389628       1.17736560       3.22704466 
Hf       7.79490570       2.53627048       0.06029819      -1.61975764       0.71313664      -0.40288698 
Hf       7.75125767      10.29373942       2.37819737      -0.52284256      -0.77002095       1.34748298 
Hf       2.79099738       2.39792877       5.01253666      -0.87736454      -3.29740045      -1.83066739 
Hf       5.45308655       3.14466168       7.87497171       0.77554671      -8.24852513       0.70001101 
Hf       5.39912669      10.30916995       5.68914321      -1.03225728       2.73279742      -2.07047295 
Hf       2.36146872       2.31649535       9.79757655      -1.45000032       1.53641449       2.59509370 
Hf       2.75074029       0.00795274       2.10034749      -2.42529986       2.81681172       3.26575384 
Hf      10.21285160       2.67919753       2.39900689       2.37967370       0.41049243      -1.54262437 
Hf       2.28415563      10.22717230       7.80571509      -1.87274248       1.53608122       1.00221687 
Hf       7.71891261      10.24815588       8.02138255      -1.16934482       0.63563904      -0.58080784 
Hf       2.41171715       5.10494934       7.76277604      -2.82113829      -3.23427629       3.70954736 
Hf       4.82213576       5.07433643       5.10751795       4.11178408       0.37310196      -3.17596424 
Hf       0.61797521       4.99104777       4.91547501      -1.69784867       1.88277256      -5.16363368 
Hf       2.59425720       7.63095603       5.17385827      -2.09660862       6.98371127      -2.30436368 
Hf       5.04323779       5.41877269       0.12265717      -1.64883344      -2.61545854       0.45997219 
Hf       5.24071918       7.78723921       3.02366079       1.07950526       1.33433722      -2.01718583 
Hf       4.55941321       7.48833836       7.65255418       2.41074054       2.81004962      -0.25649747 
Hf       7.62598092       7.80546338      10.33613789       1.08761723       1.29162526       2.75881312 
Hf       7.74810640       5.11146716       2.30637401      -1.66238692      -2.55915177       2.30916500 
Hf       2.42386946       4.86894793       2.32311533       0.88045339      -0.35533804      -3.86918035 
Hf       0.18214139       7.26724658       2.44871213      -0.81174410       3.00769449       0.58008080 
Hf      10.11385130       5.21067051      10.13611521       4.74461159      -4.60066531      -6.70593868 
Hf       7.94079051       2.24449846       5.13338579      -2.77639555      -0.02589683       0.04000891 
Hf       9.91871789       7.56503090       7.41464867       0.80550357       2.16987061       2.51596403 
Hf       5.15973790       0.09928729      10.27720513      -2.10752456       3.39143466      -0.54945014 
Hf       2.41669205       7.89438903      10.28820992      -0.96396417       0.87327863      -1.05607479 
O       0.88709638       9.51233691       1.35693938       3.71510125      -2.95730385       2.37201590 
O       1.74456786       6.76054194       1.28393167      -3.08483821      -0.57337287       1.09670016 
O       1.14344250       1.33574898       6.09119255       4.04545702       1.66172457       1.26721148 
O       1.40295183       1.09349487       3.69201286      -0.05457987      -1.18360774      -0.66526018 
O       3.67900609       3.83164913       1.30403891       1.16450358       1.35584942      -1.02293330 
O       0.51491286       0.80749862       8.85309536       2.69382688       2.41971997      -2.85209095 
O       4.02483561       3.72781993       3.80560389      -0.23801793       1.28229083      -0.30077733 
O       6.35495848       3.55921897       1.28498844       0.16643549       2.32165158      -1.64102965 
O       4.01483913       1.25210489       3.32964308      -1.70220620      -0.87120347       1.45958025 
O       1.22570767       3.65322523       3.32583475       4.68373896       0.66171264       3.22688628 
O       1.12575619       1.43426513       0.73651466       1.24676021       0.07873601       0.75093886 
O       2.12310687       6.40266561       3.79898266      -1.64943867      -3.91030296      -0.84210019 
O       3.93730249       1.57743270       0.69688544       0.10100330      -0.55502540       1.16564562 
O       0.32627457       4.46877811       6.59490742       0.27067731      -2.28518135       3.09280117 
O       0.86572816       9.34762184       6.77710365      -1.85762074      -2.57136057      -1.34527716 
O       6.76940660       1.03431154       3.97779559      -0.05170326      -0.83934266      -0.03293656 
O       6.59376283       9.39327854       9.84699334       3.48071774      -1.23607408      -3.89739690 
O       9.43102113       1.06171906       6.19468464      -3.89854438      -1.05777596       1.37393187 
O       3.82837646       3.79611021       8.82221965      -0.54189459      -0.27253459       0.89843879 
O       0.85369894       8.81479388       9.43958300       4.42392520      -0.47035148      -0.00020271 
O       0.88487765       4.10951020       0.68237259       2.26113432       0.07334823       4.00040570 
O       3.35979045       9.74218575       6.23558770       2.01771234      -1.12027977      -0.91132288 
O       9.23090142       9.13721752       8.80986325      -3.19179320      -0.55530477      -0.30154178 
O       0.94324880       6.35753515       9.00418971       0.66607931       0.09011577      -1.33858072 
O       1.42299073       8.76167613       3.99495880      -1.31633217       0.51679745      -0.30407340 
O       4.46446426       7.17293774       5.06526077       0.99290411      -1.52642406       0.37748872 
O       3.93453847       9.56919203       0.94322179      -1.71164408      -3.04950588      -0.26343706 
O       3.89707952       9.09654283       3.43755829      -0.88570528      -0.40342196       0.64065427 
O       1.17141070       3.70562750       8.85426045       2.35575777      -0.67609658      -2.67100155 
O       8.80344255       3.74050151       1.37600011       0.31718223      -0.09916990      -1.14376454 
O       6.28571022       1.14101194       6.94865304       2.54702617      -0.83220827      -2.64806769 
O       6.91094228       4.34814836       9.41135304      -2.45153659      -1.74513158       0.08215719 
O       4.41217554       2.11407360       6.10834445      -1.34948879       0.48914625      -0.42700441 
O       3.12105517       4.51423669       5.94456841      -4.02138254      -0.41835942      -0.62248302 
O       9.37350235       3.59957297       9.22685477      -3.39537555       0.26392595       1.52644657 
O       8.90388301       6.02134615       6.88872934      -1.39971052      -0.13449760      -1.16879351 
O       7.78534221       3.18249291       6.86426407       0.83214889       1.56970567       1.46044825 
O       6.27866668       1.74168421       9.12719215      -0.80002335      -0.19765805       2.83578888 
O       6.46025714       0.89994573       1.25671452      -0.04844182       3.27024597      -0.67086122 
O       9.15565771       1.32268643       1.45805208      -2.37346877      -1.77928526      -0.42552845 
O       6.27380764       9.11772778       1.65870452       0.33479054      -3.65453068       1.53912178 
O       8.26529075       8.78168332       6.39659208       2.01255895       0.11320307       0.35589724 
O      10.37030020       7.22227709       5.39660936       0.40562677      -1.18152420      -1.25399171 
O       6.53702504       6.65796774       6.44033441      -1.14093145       1.37625703      -2.65829960 
O       8.73872261       6.56856859       9.20158716      -1.91985766       1.03203603      -0.80634230 
O       5.18831084       4.78013637       7.03267653       1.35293695       3.33515439      -0.62354253 
O       5.77806122       9.39106578       7.26240648       0.44302988      -3.71517731       1.76868392 
O       5.98202715       6.77378179       8.95129071      -1.42478135       2.73766322       3.12253778 
O       3.63779260       6.13564156       8.93738406       0.99412496       2.30686975       2.84556786 
O       6.64403722       6.18224807       0.94905869       1.45384992       2.38030022      -1.08048921 
O       9.52592067       6.16951667       1.00513355      -2.32365208       5.92838529       6.33352494 
O       9.54518518       2.45280881       4.18052243       0.43846977      -0.02858680      -0.45842522 
O       9.36754226       9.46217995       3.37469536       0.02956649      -0.76057719       3.29120585 
O       8.96825694       9.31765250       1.10631324      -3.54841653      -4.06664930      -2.12976171 
O       6.97400040       3.71151735       3.91212102       0.21878642      -0.38957322       0.41951421 
O       5.91946596       5.79597056       3.32750201      -0.63503233       1.72697516       1.46558249 
O       6.63723241       8.81040278       4.25240471       0.06208416      -1.18313521       0.40780112 
O       8.63416590       1.25027488       9.34371282       0.76091110      -2.71344142      -2.64693899 
O       8.61902109       6.66916060       3.04066648      -0.40116254       5.09247353       2.35226483 
O       9.77105750       4.85268419       3.37111058       0.46599772       0.43095873       1.42758865 
O       3.93707370       6.50100530       1.38757604       2.44959342       0.37102501      -0.27814159 
O       3.91903238       9.03421713       9.18313221      -1.56691385      -2.34149013      -3.04820559 
O       3.50887843       1.23980355       8.69385003      -0.26768487      -2.25905301      -1.34093216 
O       2.67379415       7.00670885       6.99357868      -0.56019724      -0.09852054       1.02957710 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015164732454945084 0.0003188412771526569 0.0066276726748751725 0.0003188412771526569 -0.03087704188649212 -5.298120001127906e-05 0.0066276726748751725 -5.298120001127906e-05 -0.022911811034710114" pbc="T T T" energy=-928.03412914 free_energy=-928.03417661 config_type=crystal 
Hf      10.35296765       0.14465534       0.05150417      -3.04264844       0.37138590       2.78870292 
Hf       4.75337440       2.24631885       2.48036056       0.88115047       2.50132236       0.11744079 
Hf      10.43240569       2.61526559       7.70377849      -3.87826762      -0.79180691      -0.77611642 
Hf      10.31015000      10.22142761       4.93271043       1.76924210       2.48260502       0.27447811 
Hf       7.52201314       5.03809135       7.94398835       4.10182609      -3.11515181      -5.93227166 
Hf       7.76171508       7.88906801       4.96238629      -1.79855946      -2.15671282      -0.89761461 
Hf       7.80192319       2.20823298      10.31024326      -1.27880280       0.36624593       1.92987530 
Hf       7.62110514      10.44711834       2.46040591      -0.37736810      -0.81704601       0.19033037 
Hf       2.41534704       2.68385185       5.60585654      -1.30527288      -0.32212595      -4.51782635 
Hf       5.11709055       2.88673202       8.01784864      -0.64686190      -3.87097129      -1.14982079 
Hf       4.91195972      10.33301813       5.32315715       0.16388002      -0.77226903      -2.80198449 
Hf       2.38127234       2.19752888      10.37365755      -0.26868369       2.97050374       1.42634309 
Hf       2.85433296      10.21898166       2.72192046      -4.54358839      -0.14171902       0.24271525 
Hf       0.09371917       2.71107559       2.49106340      -2.37786437      -2.64344683       3.78001515 
Hf       2.55948849       0.03895195       7.49393495      -3.39390800       2.19804325      -4.40973144 
Hf       7.57542844       0.06753724       7.14544283      -4.27193835      -6.75029035       5.50961589 
Hf       2.80210338       5.31018890       7.71218777      -4.16270650       3.90799096      -0.08045975 
Hf       5.16719727       4.93040274       5.08542820       1.17006714       5.12810558      -1.84880211 
Hf      10.22847722       4.92484979       5.27731519       0.00765227       0.38874438       0.21547271 
Hf       2.28139852       7.35336959       5.03575425       1.35905735       2.64960140       0.61385662 
Hf       5.17097442       4.89289669       0.10136797      -2.32225151       3.07750852       1.13052688 
Hf       5.00711737       7.58740774       2.47324438       2.68968912       1.11219295      -0.02009214 
Hf       5.50211358       7.72065586       7.83257230      -4.12567282      -2.01832509      -2.40130451 
Hf       7.50699038       7.96164608      10.12887396       3.25210882      -0.27559302       5.66780083 
Hf       7.76102431       4.88911368       2.22240306       0.73494948       2.17431327       1.04456996 
Hf       2.73268704       5.06169337       2.44356559      -2.31889702       1.83819721      -1.08419259 
Hf       0.11034441       7.47033482       2.59070791       0.16308326       0.55677795      -1.86496118 
Hf      10.39825573       5.09035181      10.28401705      -0.13225643       2.55208766       0.71533031 
Hf       7.57347179       2.39290656       4.79548808       1.13806273       1.63184969       0.92782121 
Hf      10.11357446       8.17680374       7.85284795       1.52956164      -1.78630649      -0.38466970 
Hf       5.05964063       0.00485203      10.40068912      -1.82154269       1.37480891      -0.52506016 
Hf       2.43243970       7.92286745       9.81758133       1.16144646      -0.75604193       3.86175951 
O       1.44750791       9.09931554       1.88996913      -1.60560424      -1.11171504      -0.62205835 
O       1.73389485       6.49810585       0.97780672      -2.61892847      -0.17794366      -0.40614836 
O       1.24779847       1.22172445       6.08572689      -1.09809669       2.29322228       3.85020636 
O       1.32483598       0.91842621       3.83873799      -0.11844171      -1.07153814      -1.99628551 
O       3.72871636       3.54709147       1.00546544       1.73434936       0.76859485      -0.62465897 
O       0.83057408       1.41072654       9.04840731       2.86855840      -0.52625412       1.53896702 
O       3.45793807       3.51565896       3.44935412       1.34144847       0.34045322       2.39812778 
O       6.36939534       3.86017978       1.27061374      -1.54539346      -1.83349590       1.20156193 
O       3.91694018       1.24292897       4.11914602       1.09384885      -0.33843163      -0.45007010 
O       0.60818858       3.28039846       4.41223269       2.75995503      -0.84126466      -1.14165488 
O       1.13459134       1.10250574       1.32408378      -0.54101380       1.29534572      -2.32727635 
O       0.86946920       5.90107580       3.60593799       2.42620042       0.86509191      -1.85586151 
O       3.61504662       1.07264044       1.41435527       0.53857650       0.06110008      -0.88631778 
O       0.89450299       3.96216275       6.79983132       4.50361387      -0.67146359       0.48144909 
O       1.13441499       9.46025322       6.49471459      -3.46428593      -2.25392519       4.51614504 
O       6.69788645       2.21020774       2.95188202       0.04796328      -1.80134245       2.66036869 
O       5.77281713       9.02881124       9.43964643       3.94917396      -4.04236571      -2.89040448 
O       8.74262953       1.17766499       6.66594361       7.46996297       4.86569027      -5.03468790 
O       3.90969663       4.26624814       8.85664894       4.90977346      -2.06308316       0.79450906 
O       0.78475295       9.38833651       9.43226692       1.73415311      -3.90166678      -2.63967273 
O       1.40557623       3.64635218       1.46830320      -0.68771303       1.50157475      -0.58371659 
O       3.08247540       9.53119459       5.55862624       2.84648338       0.94482867       2.02003806 
O       8.54359423       8.94561499       8.59805635      -2.08484892       1.18182883       0.20246656 
O       1.46184911       6.73229042       8.69601078      -0.53373518      -0.16859851      -1.56140348 
O       0.77414996       8.62810764       4.37203338       0.46009082      -1.95510215      -2.51472836 
O       3.63122894       6.18256467       4.12645561       0.85394741      -1.58340186      -1.69504224 
O       3.97210041       9.16888918       0.82028508      -1.60908088      -1.93066401       0.95940820 
O       3.69652180       8.64096913       3.45777365       0.22913108      -0.65710005       0.78275475 
O       1.84044914       4.06716658       9.31755245      -3.86475238      -1.59512724       0.92012780 
O       8.94833830       3.50782982       1.01405913       1.56862224       0.18288769       0.00845073 
O       6.19445323       1.07870204       6.21645193       0.47336592       2.44010414      -3.85452463 
O       6.35688269       3.79596975       9.40711695       2.37628630      -1.15578636      -2.99767791 
O       3.86498534       1.64506256       6.85045832      -1.87877783      -0.56638666      -0.42583339 
O       3.61535234       4.26809428       6.25663931      -0.65609372      -1.63966638      -0.70051727 
O       9.10969727       4.22760787       8.91538264       0.38182104      -0.81468936       0.42273246 
O       9.01813163       6.05276652       6.35254110      -2.12075577       2.21676554       3.01365219 
O       9.10063972       3.45124002       6.49599628      -2.70565650       0.85446063      -1.84849116 
O       6.34570091       1.03160038       8.44589623      -0.98124108       1.95059900       3.35255041 
O       6.35453062       0.93746957       0.96328948       0.73878891       1.72682886      -0.60994990 
O       8.85058985       1.07221970       1.26903188       1.11211696       0.59020444      -1.63464276 
O       6.50364843       8.86152766       1.83595370       0.39897526      -1.44006540      -3.70647960 
O       8.96595522       8.99963137       6.07770340       1.42327946      -0.29987048       3.90730979 
O       1.43528422       5.94432005       5.97534563      -0.47878716       0.96894355       1.14449442 
O       6.27658014       6.43631633       6.18331175      -0.50075091      -0.61203256       1.66662748 
O       9.56998400       6.81970412       9.52483638      -0.46867531       0.78215736      -2.44949706 
O       5.94480736       3.92273396       6.51842022       2.71959972      -2.02738076       4.33484811 
O       6.34067410       8.87098617       6.22953959      -1.76309718       1.60609152       2.19361335 
O       6.84693048       6.47334439       8.82414899      -1.61196025       3.66741358       0.15000382 
O       4.23581296       6.70744586       9.39651040      -0.47425170       0.68178827      -1.73984323 
O       6.74300969       6.16095019       0.73078316      -1.10192282       1.54391223      -0.09760980 
O       9.16059336       5.99316675       1.17240729       1.92540942       0.01875786       2.51587528 
O       8.97316999       1.53850691       3.77169487       0.86826873       0.45003640       0.56953524 
O       8.62893635       9.65490194       3.96712143      -0.49123238      -0.77263285      -1.25799437 
O       9.00316277       8.93974628       0.89751370      -0.08706194       0.62275534      -0.41409564 
O       6.88468216       4.33133566       4.34432683      -1.38731867      -1.84447056      -0.94316807 
O       6.49173214       6.64063728       3.52170047      -0.90649060       0.40336805      -0.09448664 
O       6.07318263       9.88847539       3.74457987      -1.07402928       1.35661571       2.29480684 
O       8.78718645       1.32695539       8.96240225       1.83970562      -0.48892875       1.66467451 
O       9.20619804       7.26543645       3.99106506       0.90205447      -1.73394114      -2.06705695 
O       9.11385445       4.49667462       3.72352659      -0.67208634      -1.45473673      -2.83708396 
O       3.96359432       6.28501202       1.46174037       2.03456751      -2.14874965      -0.13834122 
O       3.33118140       9.21892149       8.50216084       2.47919730      -2.86700660       1.98748268 
O       3.99251096       1.38449709       9.39518193      -2.14832264       1.27908020      -0.40402727 
O       3.53350509       7.04017190       6.63344302       2.15969334      -0.14411789       2.18081507 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0028412158877508947 -0.01146845125653203 0.008731689483157386 -0.01146845125653203 -0.017218418882073854 -0.013126785647077146 0.008731689483157386 -0.013126785647077146 -0.019638450699829363" pbc="T T T" energy=-932.28071667 free_energy=-932.28102839 config_type=crystal 
Hf      10.40878138       0.15808599       0.14993794       1.78006011      -4.82958355      -1.43189946 
Hf       4.79472635       2.27499980       2.39784567       0.52965399       3.45849995       1.86668143 
Hf      10.41454417       2.64238843       7.78863184      -1.87296053      -0.72533733      -0.20463294 
Hf      10.30423807      10.39188244       4.94312807       1.00227828       0.44759199       1.11618137 
Hf       7.55359783       5.00045197       7.85264982       1.00522128      -0.85480723      -4.14481609 
Hf       7.73058149       7.92244912       4.88882911      -0.12085799      -3.80269862       3.08941836 
Hf       7.82673844       2.22909347      10.26064718      -1.85008240       1.97079453       1.85427982 
Hf       7.63364647      10.38313615       2.53282605      -1.48797139      -0.16227616      -2.10020322 
Hf       2.44684015       2.72411260       5.56350831       0.69834161      -2.23932233      -0.41616325 
Hf       4.94644805       2.77842318       8.04357717       1.94347884      -2.80199371      -3.27289944 
Hf       4.96125888      10.39202426       5.24979819      -2.77821770       0.07026653       0.95880140 
Hf       2.35396560       2.26110529      10.41077582      -0.27383162       5.15163702      -2.59200846 
Hf       2.87909044      10.20299098       2.78045551      -4.24272592      -2.08584997      -2.69326511 
Hf       0.00247850       2.78276864       2.53725043       0.74984338      -2.61732986       2.56737687 
Hf       2.66429178       0.05152050       7.50255083      -2.83230845      -0.57854498       1.07877140 
Hf       7.58170450      10.46141935       7.21550116       2.92070596       0.68388433       3.45113618 
Hf       2.69358196       5.37045286       7.68031086      -1.05902935       1.48806938       2.07490203 
Hf       5.27915107       4.95128166       4.98369192       0.26335162       1.22257351       3.44839389 
Hf      10.15965756       4.90222731       5.24822439      -1.21510922       0.61423685       2.21691561 
Hf       2.23779350       7.37405153       5.03225069       0.80124727       1.59754007       1.35726048 
Hf       5.16900363       4.85540635       0.13176925       2.21151782       0.61720029      -4.82955432 
Hf       4.89892585       7.56096803       2.42262335       2.30577729       0.23579642      -0.20055009 
Hf       5.44858587       7.73959089       7.80480244      -5.82642779      -4.13983819       1.91068296 
Hf       7.54450166       7.84553322      10.18072822       5.86518399       1.32893153       1.18431813 
Hf       7.66502016       4.94110851       2.19146298       2.55919263       0.74195410       1.23758583 
Hf       2.75170088       5.20165933       2.36596112      -4.58822358      -3.79243059      -0.64091692 
Hf       0.13546141       7.39857018       2.53657243       1.68390007       2.36574130      -4.33343010 
Hf      10.39166768       5.12515402      10.31125419       0.80634865       3.37797638       0.46950776 
Hf       7.54396872       2.37778604       4.78035249       3.96682716       3.54327609       4.69738510 
Hf      10.24068625       8.12440115       7.83446543       0.11286977      -1.13517170       2.74019860 
Hf       5.04420686      10.38544238       0.00471042       0.74144638      -2.36554242      -3.81655448 
Hf       2.46438171       7.86197008       9.90092336      -2.06805842       1.28086005       1.11198631 
O       1.39124486       9.17445762       1.48215029      -1.49224977      -0.53387673       0.43613666 
O       1.45848088       6.41291192       0.94621848       1.30368007       0.15254448       0.73205282 
O       1.22071310       1.52800429       6.66841907       1.47836984      -0.31157769      -1.94794180 
O       1.30947118       0.55557614       3.57977050      -1.65978442       1.84765428       1.31186201 
O       3.93078466       3.50682538       0.71477510      -0.55554021      -1.76542665       2.95266044 
O       1.07653638       1.33460032       9.01535254      -1.17354568       1.46844892       1.15960007 
O       3.39854993       3.53077990       3.62979925       2.56907070      -0.43098848      -1.55167254 
O       6.47345030       3.62450001       1.25091405      -0.98341248       1.26731879       0.78542039 
O       3.81350807       1.09849080       3.91429810       2.22233163       0.53506870      -0.62535584 
O       1.05753457       3.21717685       4.42735886      -3.68527584       2.12757106      -1.87090614 
O       1.31734051       1.22795435       1.00300379      -1.53566884      -1.79064673       3.57211956 
O       1.19899552       5.92628166       3.67000108       0.67402454       1.33157143      -0.09568355 
O       3.92008099       0.96126081       1.34668449      -1.19477425      -0.33359289      -0.31642824 
O       1.16902357       4.11000253       6.99750696      -0.26974766      -1.14931665      -1.78999015 
O       0.50612931       9.54352461       6.74058446       4.02745513       2.48386532      -1.69829567 
O       6.63066969       1.97108437       3.20040163      -1.00350896      -3.42828173      -2.31417492 
O       6.14110575       8.76279727       9.32256712      -3.15137553       3.96273760       1.65597420 
O       9.09850880       1.47520963       6.42910931      -1.40655215      -3.20738071       0.59561197 
O       4.15371483       4.28196471       8.86041228      -1.98053934       2.30063177       0.58627372 
O       1.11959202       9.42836240       9.20020866      -0.86547539      -2.01927919       0.10541186 
O       1.40265469       3.68610992       1.43069511       0.00556558       1.15597988       1.76004699 
O       3.14440516       9.63808652       5.78469491      -0.59821304      -1.32125146       0.79959404 
O       8.43073918       9.26152384       8.69161298       0.52961859       1.23621808       0.00550466 
O       1.31531164       6.65368036       8.53628421       0.26105769       0.38422935       2.79598257 
O       0.92033389       8.78744036       4.06250933       0.46618377      -3.10142892       1.18705402 
O       3.83464791       5.87124630       3.85555613      -0.98047685       3.17992921       1.44554370 
O       3.65031782       9.06634659       0.72388017       2.14751378      -0.75874260       1.49603677 
O       3.93025539       8.71885922       3.67594965      -1.29313549      -1.03763470      -0.44210860 
O       1.36697939       4.08674580       9.54171626       1.63864787      -1.90960240      -1.09888815 
O       9.00802850       3.51127100       1.52793479      -2.52577841       1.89549669      -5.61572910 
O       6.40736912       1.19844249       5.77532221       0.72444182      -2.27415972       1.65686534 
O       6.40701275       3.71424652       9.21354626       2.39204495      -0.59903060       0.59739426 
O       3.98482940       1.44240930       6.41675720      -0.49180593      -1.01789272       2.31031088 
O       3.75128588       3.78357170       6.50802602       0.54847341       3.94817934      -0.32137441 
O       9.25537307       4.16257666       9.01055745      -1.78403589      -0.57733350       0.68956310 
O       8.63249047       6.09391313       6.36379498       1.45820058       1.93212969      -1.53658934 
O       8.82048456       3.87704167       6.61023380       2.38290687      -1.69226009      -1.62586678 
O       6.23708332       0.88326648       8.76508497      -0.36711293       0.68890474      -0.86080201 
O       6.52965202       1.02290987       0.85350804       0.18936308      -0.77856868       0.61906483 
O       9.29806606       1.28846322       1.36371697      -2.11007471      -1.64860682      -0.11377233 
O       6.20131079       8.90364281       1.73828249       1.22468290       1.23890059      -1.53047924 
O       8.97271628       8.73397964       6.47850318      -4.66437675       0.77226809      -4.75433706 
O       1.23673350       6.38520538       6.35901486      -1.93733949       0.24044759      -3.97347513 
O       6.17491775       6.09734500       6.42674844      -1.80599882       0.08604829      -0.51960827 
O       9.35560943       7.10122052       9.32063548      -0.39580115      -2.60650338       1.49051975 
O       6.24957672       3.50033445       6.61693667       0.37771157       1.11607167      -0.21707696 
O       6.15215262       8.86051934       6.50965603       1.88497426       4.28384242      -3.15358463 
O       6.83788443       6.69515100       8.71247809       0.84934226      -2.91094490      -0.58828329 
O       4.04094288       6.87872721       9.35303475       1.09825919      -3.05259391       0.02349985 
O       6.69456563       6.36656738       0.71138071      -0.57105676      -2.94474412       2.80894557 
O       9.48320361       6.13151170       1.43220203      -1.99664836      -1.78878570       0.28383786 
O       9.29857524       1.66502715       4.10361271      -0.07631113      -1.84816323      -2.05752182 
O       8.35313356       9.53369758       4.09943481       4.59301778       2.23126699      -0.10180392 
O       9.13068159       8.81358692       1.04225591      -1.12256655       2.15549187       0.98041311 
O       6.73087895       4.16481423       4.06286968       0.74495337       0.19621577      -1.54738591 
O       6.16365078       6.56547855       3.70808999       1.22507556       1.23715424      -0.53484300 
O       6.17317911       9.73733132       4.02049423       1.75147498      -0.78687782      -2.86127261 
O       8.77276685       1.41833191       8.90534901       2.01554496      -0.47612133      -0.06222012 
O       9.19146373       7.15353153       3.77980921      -2.42885736      -0.96231018       2.09550446 
O       9.26159648       4.13739436       3.53495633      -0.05214668       2.33656978       3.12038710 
O       4.16970676       5.96530394       1.29276472      -0.64282102       3.10734249       2.36731480 
O       3.55533004       9.02088989       8.59014705       1.19837618       2.97135194      -1.52935634 
O       3.63621608       1.48239227       9.12524502       1.53825781      -1.67036422      -0.38526807 
O       3.41704234       7.10937013       6.90643156       1.68846598      -1.12168403      -2.62187894 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006965190800517266 0.004055400644128535 0.002244315354074102 0.004055400644128535 -0.026861942591891303 -0.0025895270322496525 0.002244315354074102 -0.0025895270322496525 -0.020296911468950577" pbc="T T T" energy=-929.15609137 free_energy=-929.15613979 config_type=crystal 
Hf      10.36678659       0.14942280       0.06943853      -2.61519828       0.34342305       2.97935951 
Hf       4.76214968       2.24725872       2.46007236       0.10812737       2.93509947       1.30211104 
Hf      10.43333550       2.62176730       7.72476134      -3.43819500      -0.43786348      -1.80687179 
Hf      10.30794143      10.25124550       4.93312939       0.71830765       4.07188839       0.95109538 
Hf       7.52325485       5.03330129       7.93476198       3.90938432      -2.56892502      -6.31035770 
Hf       7.75687478       7.89995202       4.94528369      -1.48380549      -1.86352789       0.04872018 
Hf       7.80811059       2.21184664      10.29688242      -0.54399499       0.24844435       1.91246365 
Hf       7.62389407      10.43480642       2.47613337       0.11962470      -0.70563017       0.03998603 
Hf       2.42483580       2.69448310       5.60389905      -1.77414086      -0.73264732      -4.70794228 
Hf       5.08192652       2.86877286       8.02839197      -0.87440534      -3.13452093      -2.50058682 
Hf       4.92587087      10.34717293       5.31067935      -1.25709094      -1.19479259      -2.63818233 
Hf       2.37841977       2.20548675      10.38067189      -1.31890843       2.98354624       1.11191323 
Hf       2.86872053      10.21473217       2.73541380      -5.49309684       0.85154674      -0.07849797 
Hf       0.07627882       2.73030891       2.49449318      -1.83856214      -2.61204007       3.91667554 
Hf       2.58965270       0.03490028       7.50479478      -5.38783803       5.10693698      -6.80614299 
Hf       7.57479587       0.05353817       7.15515714      -0.30914853      -2.52840147       3.45429609 
Hf       2.78567437       5.31894074       7.70572928      -4.57222904       3.27404199      -0.75341226 
Hf       5.19234734       4.92848784       5.06119926      -0.37250637       4.66089116      -0.14341212 
Hf      10.21283381       4.91976814       5.26722054       0.96815904       0.18944537       1.87082775 
Hf       2.27030194       7.35503843       5.03279943       1.35211415       1.87087954       0.89491931 
Hf       5.17433302       4.87999972       0.10854977      -2.92328747       3.46913724       0.65198607 
Hf       4.98121310       7.58127926       2.46161172       2.12355942       0.50860164       0.49537404 
Hf       5.49804201       7.73010109       7.82833401      -3.86087724      -2.53166606      -2.06940332 
Hf       7.50656849       7.93581791      10.13370484       4.23646059       0.26334262       4.65892418 
Hf       7.73678417       4.89662109       2.21296946       1.98567115       2.34779504       1.74373924 
Hf       2.74494400       5.09468440       2.42593444      -3.89328569      -0.49488361       0.16597593 
Hf       0.11471008       7.45343913       2.58411441       0.22939025       0.82703568      -2.17290215 
Hf      10.39505412       5.09300573      10.28978519       0.59199796       2.78869525       0.17689202 
Hf       7.56322276       2.38549210       4.78263622       1.56440752       2.09051551       3.54858412 
Hf      10.14018268       8.16633304       7.84814245       0.37066617      -0.72439372      -0.17921429 
Hf       5.05992155      10.45434954      10.42184383      -2.50110264       0.19475820      -3.21466479 
Hf       2.43941113       7.91086073       9.83140990       0.43069392      -0.95226296       2.82212042 
O       1.46682820       9.14721609       1.80696609      -1.80596729      -1.85802726      -0.42386790 
O       1.70697160       6.47577506       0.97203964      -2.47386080       0.20740293      -0.34056122 
O       1.25675785       1.25169629       6.17086838      -1.12370913       2.43762459       2.98184017 
O       1.33801544       0.84254072       3.79678716      -0.53721653      -0.65463548      -1.36478539 
O       3.73631482       3.53802282       0.92281741       2.20672227       0.48108710       0.39510565 
O       0.85134154       1.37804332       9.01216914       2.50763890       0.24390694       1.77820656 
O       3.40011776       3.53318472       3.48449512       2.21165011      -0.58990775       1.08805440 
O       6.42074535       3.82857793       1.24505497      -1.73131833      -1.56269208       1.25109353 
O       3.85219627       1.20408147       4.09841917       2.00179245       0.19129279      -1.06678916 
O       0.69029833       3.26159645       4.43672255       2.07210610      -0.43792789      -1.09501784 
O       1.18082358       1.11044174       1.27233365      -0.38899897       1.48889661      -1.89751357 
O       0.90210941       5.86989040       3.64833479       2.33466492       1.86866509      -2.02933801 
O       3.67083534       1.04381579       1.41932777       0.70894964       0.40738761      -1.11046844 
O       0.90093479       4.02277387       6.83923300       3.82192775      -1.43031304       0.57941465 
O       0.99637408       9.50988112       6.46319050      -1.34838211      -2.39982022       5.54574553 
O       6.73195676       2.21391989       3.05408646      -1.56842098      -2.38019173      -0.17400144 
O       5.83920445       8.96926662       9.41876406       2.29826459      -1.91812946      -1.40148640 
O       8.79923472       1.26705387       6.65733558       2.96264567       0.49147443      -3.42229452 
O       3.90425525       4.28827081       8.82870252       4.85846263      -2.19659467       1.64622660 
O       0.82470684       9.48874965       9.43163403       2.48158749      -5.61195355      -3.46140662 
O       1.41678783       3.62640182       1.45680231      -0.73052328       1.61244263      -0.30770629 
O       3.07230717       9.55223333       5.55492142       2.20682275       0.50300368       2.73285432 
O       8.53542316       8.99119456       8.62132502      -1.38942837       1.03170030      -0.09063176 
O       1.43359121       6.68998279       8.64364388      -0.22280717       1.18901073       0.03571175 
O       0.77609814       8.75844689       4.35983900       1.56231251      -4.91710880      -3.57282212 
O       3.69138384       6.08403178       4.07195099      -0.56740160       0.65214454      -0.73798667 
O       3.91351920       9.19112682       0.78630928      -1.34679476      -2.64735133       0.84105569 
O       3.72997042       8.70897139       3.50355783       1.03449528      -2.50976682       0.33180923 
O       1.77747380       4.09916583       9.35680467      -3.13914670      -1.59401782       0.81756569 
O       8.96468724       3.48272978       1.16037964       0.86091647       0.78539239      -1.04748371 
O       6.18638871       1.07832170       6.14365218       2.21065889       2.05083706      -2.28123398 
O       6.30745407       3.80617346       9.41473698       3.16882139      -1.70439606      -3.45541626 
O       3.91267374       1.63335821       6.73436252      -1.58297388      -1.24093576       0.70749169 
O       3.63582527       4.12848459       6.30783860      -0.14404407       0.44300380      -0.33420952 
O       9.15208120       4.22682165       8.91037038      -0.19269153      -0.70838608       1.20752680 
O       8.95795192       6.01891402       6.32452130      -2.00367178       2.46909655       2.70856258 
O       9.06563426       3.53568394       6.54487490      -2.27395231       0.61686315      -1.61268544 
O       6.34233498       0.97344190       8.48174725      -1.26829025       1.85019782       2.65203429 
O       6.34611140       0.91314309       0.91658741       2.44594406       2.64952761       0.97379139 
O       8.97436156       1.13151909       1.29957089      -0.85418404      -0.22645757      -0.92917832 
O       6.42265208       8.87880401       1.87941166       0.74449040      -1.14625384      -3.95746950 
O       8.98977671       8.94478220       6.16007291       0.34935826      -0.29938049       2.31283955 
O       1.41559112       6.00966389       6.09196935      -0.79870564       1.53671761      -0.56679532 
O       6.27098334       6.36656089       6.20754257      -0.67278967      -0.26968808       1.82667607 
O       9.52684421       6.89793813       9.50253395      -0.15405038      -0.21020773      -1.97298526 
O       5.97723614       3.85967270       6.46774392       2.32643113      -2.32777513       5.05772281 
O       6.30187203       8.81340836       6.29028877      -1.12310388       2.20238932       1.49585934 
O       6.86416862       6.50762569       8.82529619      -1.55022338       2.46214238      -0.71864641 
O       4.20084120       6.74833050       9.40351072      -0.52793548       0.44690579      -1.32657145 
O       6.75994892       6.22536013       0.69045480      -1.36824324       0.18944635       1.05176675 
O       9.22154610       6.03454005       1.17916438       1.11169330      -0.44984939       2.91478021 
O       9.02104186       1.58768601       3.85777716       1.14659646      -0.63826072      -0.28705931 
O       8.55239033       9.61314138       4.01272695      -0.08374574       0.16823396      -1.23108404 
O       9.04171397       8.88524135       0.91732946      -0.48386221       1.12626914       0.18546904 
O       6.81450598       4.33166367       4.34170348       0.93298989      -2.01802203      -2.51022165 
O       6.43109066       6.60358055       3.57852325      -0.88946215       0.89139702      -0.79841097 
O       6.09067238       9.83487777       3.78868967      -0.58613631       1.65443354       2.01639047 
O       8.75767511       1.34635627       8.90878789       1.51418098      -0.03927016       2.53125190 
O       9.20429173       7.27117611       3.96280517       0.90812942      -1.80469523      -1.92989973 
O       9.18275627       4.43433500       3.74105465      -2.33555682      -1.35123141      -4.15484563 
O       3.92679296       6.18990336       1.44657254       4.01522671       0.17372818      -0.78307381 
O       3.31525635       9.25605641       8.46204578       3.96545837      -5.90268596       4.31677388 
O       3.91276940       1.41772895       9.34280781      -0.66607951       0.04551134      -0.09794128 
O       3.46035776       7.05737603       6.68762832       2.63450077      -0.03781765       1.23304885 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016005318313280434 0.004975022420449489 -0.004011137315679398 0.004975022420449489 -0.022635568406866122 0.0036458250633337416 -0.004011137315679398 0.0036458250633337416 -0.011143426035692157" pbc="T T T" energy=-930.41151815 free_energy=-930.41183843 config_type=crystal 
Hf      10.45414671      10.16360259      10.39912003       0.11128106       2.09339132      -0.19749238 
Hf       5.18478771       2.62853621       2.70827169       4.40952920       2.59889865      -1.58692559 
Hf      10.10157894       2.13091790       8.17850617       2.45235899       3.56422040      -3.70430181 
Hf      10.34438180       0.12441025       5.17662941      -0.77564012      -2.93505493      -1.18908696 
Hf       7.71412789       4.77650344       7.97942251      -2.10113838       2.76875459      -3.91747193 
Hf       7.67334288       7.57849399       4.89654730      -1.50701825       3.72380519       1.91363551 
Hf       7.52210839       2.35053782      10.27211154       0.62521904      -0.56393397       0.79656888 
Hf       7.68879874       0.07041617       2.65544072       0.90055319      -0.81230606      -1.50311509 
Hf       2.06831736       2.64089784       5.41549740       1.08433559       1.77621865       1.35097282 
Hf       5.00864627       2.49305418       7.57131470      -1.34564838       0.98085837      -1.28300074 
Hf       4.97423068       0.15290291       5.06385631      -0.36536249      -2.80727181      -3.32318154 
Hf       2.72057377       2.40318563       0.00190757      -1.49170042       1.91390710      -1.70499161 
Hf       2.80002552      10.33803280       2.17446431      -2.91504438       0.31613876       2.14134472 
Hf      10.15312414       2.65336559       2.43154495       1.00144765      -1.33884694      -0.88651492 
Hf       1.90917125      10.28257293       7.65195332       3.82709441      -4.48732569      -0.23357740 
Hf       7.37653202      10.28345104       7.70012034      -1.34018019       0.51943704      -2.68069021 
Hf       2.64548894       5.62083409       7.54540604       0.10135184      -3.50527572       0.39230627 
Hf       5.05694161       5.33305682       5.18016489       1.45759799      -3.94021009       2.63739804 
Hf      10.20174069       4.95289523       5.01578349      -0.66081094       0.55109978       3.54974209 
Hf       2.69899875       8.04566968       4.67454894       0.81507410      -1.29386412       0.30782674 
Hf       5.27656540       4.74185488      10.41400077      -1.81396123       2.29513900      -1.26730593 
Hf       5.23653480       7.83524349       2.39232025       2.96404253      -1.34543781       3.96933387 
Hf       4.68898790       8.12747549       7.54195105       2.66048722       1.93151977      -3.05630265 
Hf       7.81343025       7.48963145       0.05443314       0.56467155      -0.48231498       1.00426112 
Hf       8.12486836       4.98936460       2.37200159      -3.75017698       0.71139885       2.44766950 
Hf       2.66905495       4.88680170       2.54061552      -0.22789977       1.73433499       1.16497951 
Hf       0.09264691       7.86949454       2.39079595      -2.17180777      -0.37511083      -0.12356435 
Hf       0.39062130       5.01190304      10.17644566      -2.64786311       0.88314824       1.13245759 
Hf       7.43733248       2.57186906       5.12101694       1.04942418       2.52017383       1.42956423 
Hf       9.54068566       7.82874418       7.78885781       1.47949488       0.89569629      -2.82964031 
Hf       5.34137263      10.27530823      10.43686795      -0.54357362       3.30160025       2.33934119 
Hf       2.66204940       7.66888083      10.29937578      -0.88082412      -2.15720082      -0.87394683 
O       1.58277559       9.28503648       0.54099338       1.65753789      -1.56172091       3.47680012 
O       1.03073524       6.64159211       0.77456819       0.56130130       1.60185831       3.29820962 
O       0.69197731       0.94726070       6.65561033       0.67091574       4.63552741       2.81477101 
O       1.45370651       1.37728546       4.14965782      -0.68752290      -1.24297403       0.49342381 
O       3.72927410       3.51180625       1.66531633      -0.19465427      -1.52409292      -3.88556275 
O       1.34860326       0.80287141       9.22156714      -0.40962948       4.72330276       0.21479960 
O       3.94394486       3.99270815       4.04530352      -1.94070504       0.12231222      -1.17979075 
O       6.69519549       3.68972076       1.02370038      -0.95054742       1.95621890       0.44032037 
O       4.13466488       1.35906632       3.43881968      -3.71655819      -3.87076180       1.42567553 
O       1.16836493       3.81682072       3.72888570      -0.43229880       1.19564342       2.51541290 
O       0.95453659       1.30199863       1.35195799       0.61158193      -0.21829459      -0.60424883 
O       1.25380879       6.86984538       3.76773780       0.05442374       0.74158401      -1.47358798 
O       3.51627521       0.64352038       0.54353625      -0.44504902      -0.02376843       1.78749490 
O       0.46405540       3.34908436       6.62586424       2.21631925      -0.06956261      -1.81063109 
O       0.97311054       9.23727450       6.25950296       0.69851411      -3.95876305      -2.20498004 
O       6.57242549       1.23874311       3.74584136      -0.23586540       0.18499551       2.26691691 
O       5.62387871       9.42925841       8.82298023       1.35831227      -2.54007837      -2.78713666 
O       8.65297397       1.70390490       6.46305611       0.61016314      -2.10273994       2.53316542 
O       3.63150493       4.48677632       9.26935633       1.84691269      -2.26010765       1.25507034 
O       3.28101994       8.95617413       8.86910822      -0.40449820       1.12151200      -0.67758117 
O       1.03701726       3.92226936       1.46137656       3.47308116       0.87411698      -2.09079569 
O       3.57389865       9.43918215       6.10066603      -0.42820863      -2.73956554       1.16892003 
O       0.78868825       8.99875074       8.80605334      -3.71989946      -0.72001754      -1.05726146 
O       1.43683636       6.40474577       9.01980172       0.76639856       0.21086894      -1.45005810 
O       0.90096462       9.62788281       3.13515419       1.32892053      -2.20366331       0.37279586 
O       3.90598689       6.71259261       3.30230223      -2.76020483      -0.24796105       1.60632616 
O       3.97282613       8.83805354       1.30939070      -0.53892269      -0.09657319      -2.79821291 
O       4.05385106       9.39299407       3.61851324      -5.18207611      -1.99289161      -0.95577168 
O       1.41365760       3.80867289       9.10995799      -0.86338308      -3.32538746      -0.01770866 
O       9.33540998       4.22899098       1.19202147       0.89852597      -2.57791503       0.10131042 
O       5.93283570       0.89745959       6.47034153       5.29733691       3.06944003       3.72257590 
O       6.42901438       3.37793831       8.84256039       0.19762097       2.30136379      -0.42129829 
O       3.84001801       1.29389821       6.25781414      -5.39854943       3.18087592       0.92911993 
O       3.70734218       3.95361783       6.62793696      -2.02260826      -0.37307082       0.76140587 
O       9.00064575       3.88620797       9.37677021       0.60308588      -2.13141604      -2.32834934 
O       8.72996637       6.45073289       6.32606695       1.34705167       2.80580423       3.85175921 
O       8.68628715       4.09067659       6.11462679      -1.04296338       0.78382689       1.70452305 
O       9.01874631       0.98333361       9.23673067      -0.37866596      -1.15349636       0.22340323 
O       6.24062435       1.38347067       1.24871531      -1.87917321      -2.39375007      -0.22299843 
O       8.60350548       1.58956595       1.28076240       2.69528332      -0.99161749       2.54427288 
O       6.73032937       9.07439018       1.09323478      -1.98737171      -0.40624556      -0.35542179 
O       8.74211805       9.46025772       6.38392787       2.67310809      -0.52088717      -0.26564660 
O       1.22295998       5.89102689       6.10104512      -0.19732758       0.04236893       0.44519551 
O       6.18027990       5.97393270       6.82506480       0.46827787       0.91120737       0.68899271 
O       9.13522392       6.49807445       9.15047212      -0.33436339      -0.86837959       0.44263719 
O       6.10817835       3.73907852       6.29881872       1.34228221      -3.05652826      -0.71929194 
O       6.44898242       8.97594688       6.31223618      -1.66178821      -1.15359395       2.74174204 
O       6.47320864       5.91109813       9.33192359       1.27618697       1.25028425       2.49130024 
O       4.05665129       6.65375509       8.46065043      -0.95328248      -0.32916934       2.46637246 
O       6.60786269       6.20955930       1.98857099      -2.26363865       2.39649996      -2.64357335 
O       8.97068207       6.54049092       1.36245077       0.66372895       2.04672378      -0.08775834 
O       9.28812966       0.85348889       3.80300994      -2.39189520       2.61004575      -2.75475843 
O       8.66536323       8.91226832       3.24635798       0.82523900      -2.04263716       1.45787957 
O       9.13237690       9.04929422       0.78113092       1.06817812      -0.97712577      -0.02232286 
O       6.54596506       3.72595161       3.63807498      -1.11918677       1.57689999       0.34782277 
O       6.10792528       6.60141865       4.35500571       2.37713151       1.82520422      -2.32616183 
O       6.11911804       9.09984209       4.11244451       2.81270176      -0.53927057      -3.69403678 
O       8.13294031       8.85465011       8.80461979       0.94119874      -2.20273675       1.50124741 
O       9.04054416       6.43319269       4.14018716       1.91145056      -2.47702307      -4.45082686 
O       8.80701728       3.61918736       3.86060649       3.20878633      -0.51909535      -2.34758849 
O       3.76945510       6.01466296       0.93846857       0.37763630       0.88571010      -0.67047912 
O       4.32234268       1.89112104       9.41689898      -1.66450490       1.05085631      -1.38852365 
O       6.43440939       1.08838589       9.21000450       1.89036939      -1.66835170      -0.83157845 
O       3.84088440       6.58054350       5.99192692      -3.43302573       3.92886089       0.16252635 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.028878992109432237 0.003734059030903068 -0.01338815102001019 0.003734059030903068 -0.03110151121486144 -0.004137808256551486 -0.01338815102001019 -0.004137808256551486 -0.017774083974450166" pbc="T T T" energy=-926.83306678 free_energy=-926.8340799 config_type=crystal 
Hf       0.01465582      10.19879738      10.35584449      -0.03462193       0.49112262       0.16693900 
Hf       5.17964221       2.62765066       2.55982508      -0.04959003      -1.00451610       3.29345661 
Hf      10.11351878       2.14664201       8.14957382      -1.24703480       3.18280029      -2.62817572 
Hf      10.44673057       0.07124740       5.22020334      -0.28680142      -1.08656549      -2.25490762 
Hf       7.68033242       5.00654748       7.96033477      -1.83385889       1.19841131      -3.12747528 
Hf       7.70219359       7.58537625       4.94275380      -0.04610820       2.53696809       2.02163506 
Hf       7.37767608       2.39485160      10.28386393       4.15213878      -1.42383050      -2.46919113 
Hf       7.83368549       0.16799716       2.65565622       0.35034803      -3.15716610       0.42475567 
Hf       2.05983356       2.64751237       5.39997414       0.04572755       1.87614372      -1.53707082 
Hf       4.95109609       2.40184104       7.50836752      -2.69106438       2.54761250       1.99158588 
Hf       4.94077945       0.12424081       5.06094483      -1.61216137      -1.84849733      -1.90286716 
Hf       2.84485916       2.37102791       0.01400325      -3.70387410       0.92735520      -4.15870128 
Hf       2.71381470      10.26068434       2.17520332      -3.48093135       0.82081106       1.31710367 
Hf      10.12473520       2.54031849       2.43474980       4.70116461      -1.37441270       1.58788257 
Hf       1.95153519      10.22880795       7.56737648       0.69153453      -1.77888317       0.15275063 
Hf       7.43119782      10.37735484       7.68484628       4.24333999      -5.05528790      -0.42027150 
Hf       2.65542963       5.60746509       7.52636028       0.24766243      -0.83162429       1.35859830 
Hf       5.07325454       5.27569053       5.18905090       0.08154650      -0.45938548       1.95732005 
Hf      10.23920947       4.98838266       4.93101156       0.77265192      -1.64547888       3.84067920 
Hf       2.67277307       8.14040616       4.75903473      -4.29293081      -1.16745103      -0.02143541 
Hf       5.35456140       4.73700788      10.42120455      -2.18136776       5.02872338       0.92400674 
Hf       5.20276027       7.87770235       2.42179464       1.31023361      -1.98936440       1.10002322 
Hf       4.59295937       8.24698557       7.54332965       0.02021449      -2.96675269       2.73610335 
Hf       7.79201410       7.52061748      10.45736234      -0.00052094      -0.79571499       3.68311476 
Hf       8.02535897       4.95963264       2.50030307      -3.17302889      -1.37007042      -5.18847449 
Hf       2.67181865       4.93845428       2.55418746      -0.13339179       2.27974943      -1.06320333 
Hf       0.12194410       7.89013054       2.37057536      -2.02453498       0.25681585      -3.96600519 
Hf       0.36326066       5.00819277      10.12836582       0.19503175       0.51427066       1.67657384 
Hf       7.42914394       2.47886839       5.17857099       4.29660759       2.13624690       1.96553463 
Hf       9.57408006       7.79820057       7.84755927       1.18461417      -0.18273133      -0.75222084 
Hf       5.36174969      10.25013430      10.33419191      -3.29728191      -0.95326077      -2.70949468 
Hf       2.73173472       7.66005248      10.38534327      -2.33042411      -4.95581643      -1.30494436 
O       1.53239946       9.04717251       0.74524305      -2.60426709       1.02084746       1.41945020 
O       1.31037128       6.44436609       1.16742109      -0.83408758       1.34291427       0.22679718 
O       0.83141075       1.23977791       6.76247934      -0.15774167      -4.45117370      -0.92476449 
O       1.23244361       1.32558903       4.22432264      -1.21978403       0.38421476      -0.36985895 
O       3.94267092       3.42894377       1.24401347       1.36678588      -0.14956414       1.55759287 
O       0.94336204       1.22253463       9.21264596       1.95496954      -3.49298663       1.38672663 
O       3.66600132       3.82711067       4.01074601       1.60558515       0.47027430      -0.49758467 
O       6.78423427       3.68867006       1.20756012      -2.05629534      -0.64627612       0.10459054 
O       3.89930307       1.15917488       3.51758882       1.85291398       1.23246034      -1.30507145 
O       1.14022875       4.03997999       3.84152117       0.01884971       0.86708804      -0.43583177 
O       1.22487352       1.21251597       1.38608743      -1.26339169       0.92104389       0.73348818 
O       0.98762862       7.44979919       3.86344335      -1.12363555      -5.02495007       3.08176768 
O       3.15488894       0.52743107       0.45944598       4.66531079      -0.14541445      -1.05199635 
O       0.38590648       3.17426700       6.09125231      -2.69272532       3.93090709       0.15238567 
O       1.25468575       8.87907707       6.03313685      -1.58918870       3.22576610       2.38970256 
O       6.49835452       1.33166183       3.71712776      -1.11141637      -0.55558690       0.04573679 
O       5.94157717       9.29408733       8.70376581      -1.75042592       0.44009741       2.87824670 
O       8.54281125       1.47502888       6.72086415      -0.41159652       0.53003630      -2.73409832 
O       4.08617320       3.95998923       9.23427509      -2.40388614      -0.05395737      -0.23841862 
O       3.00976806       9.19612035       8.88526155       1.05358273       0.51789604      -0.47176715 
O       1.40402765       4.10495197       1.31892174       0.77315829      -2.80417380      -3.18653414 
O       3.71852374       9.30323270       6.13982835       0.28566856       3.50158453       0.40604610 
O       0.37578399       8.96208408       8.61643490       3.57737039       3.90063313       1.43625180 
O       1.53195350       6.34142694       9.10655626      -1.94374258      -1.56821770      -0.17060631 
O       1.43375469       9.51675605       3.56174792      -3.08732973       1.81764191      -1.58172516 
O       3.21435203       6.71491873       3.51096591       2.58279691      -2.10927421      -1.16501171 
O       3.94533519       8.60957367       1.01992805       3.00551386       2.99357560       1.96135715 
O       3.60922993       9.29837523       3.61342928       7.11103600      -0.30670480      -0.38619621 
O       1.32509261       3.35406983       8.55948757      -0.08775714       3.60631468       2.52581685 
O       9.61356976       4.09243847       1.50261716      -2.17018282       1.10304528      -2.46592001 
O       6.07059768       0.90222203       6.76523467      -3.36409340       1.08035900      -6.17115931 
O       6.36825830       3.65798609       9.04055620       2.06494132      -0.70883614       0.18153995 
O       3.25522631       1.27019467       6.17267966       3.53330231      -0.71933494       1.70547634 
O       3.61437134       4.01151873       6.66887959      -0.22859455       0.07376242      -1.06090358 
O       8.96883321       3.62451623       9.38598036       0.49787200      -0.24510530      -0.83267368 
O       8.91577209       6.50495032       6.58006195      -1.03693488      -1.54616631      -3.09804508 
O       8.21970333       4.08364707       6.12729278       2.57472211       1.27864301       0.09321449 
O       8.81435241       0.75504831       8.86872348       3.59706959      -0.12403751       3.74678046 
O       6.34253248       0.99135396       0.96602063       0.47935116       3.69552011       3.31803649 
O       9.04860282       1.24647638       1.41708978      -1.75309192      -0.41970755      -2.03334650 
O       6.55264459       9.12205074       1.09883650      -0.67753133      -1.82630997       0.95725384 
O       8.94761833       9.21607542       6.38728145      -0.54717171       0.28024735      -0.57212099 
O       1.21877779       5.84175433       6.30048170      -1.08107425      -0.18818336      -0.94594728 
O       6.32248761       6.27946776       7.10484255      -0.46169945      -3.11745158      -1.12545640 
O       9.19889431       6.44547457       9.43877532       0.85011254      -3.03882825      -2.06719062 
O       6.11987381       3.77048958       6.67033397      -1.05862923      -0.87125873      -2.28209786 
O       6.20370074       8.42988912       6.68344226       4.65720716       2.67431676      -5.22792813 
O       6.33357226       6.40416479       9.67014638       0.37819437      -2.24543402       0.45824594 
O       3.82109857       6.85034298       8.91558453       1.35358761      -0.51133290      -2.40782127 
O       6.38920807       6.31743882       2.09927219       0.43501010       0.05686003      -2.56509889 
O       9.01305437       6.62558960       1.43360722      -0.88084968       0.11563682      -0.18517104 
O       8.97274883       1.28093341       3.93351603       0.28503099      -2.54225125       0.95153368 
O       9.05530548       8.93708870       3.57352093      -1.19986563       0.23279686       0.06939926 
O       9.12561176       8.99540522       0.59490844       1.87357089       1.84957124       2.92260716 
O       6.23682135       3.79609692       3.77695319       0.19147326       1.65684463       1.12323824 
O       6.04016051       6.79228927       4.19326346      -0.28425532      -1.38944868       3.07054015 
O       6.40172010       9.19959890       3.95073565      -0.30449387       0.82899477      -0.32645538 
O       8.36956110       8.63128015       9.02193515      -2.73088789       2.33107157      -3.31048961 
O       9.02493518       5.87859933       3.61064831       2.55403113       6.39840110       7.26377903 
O       8.96373544       3.53443721       3.71483012      -1.81222145       0.05570674       1.90926615 
O       3.83302031       5.98443783       1.09051200       1.08157636      -0.19811033      -0.53703608 
O       4.16155778       1.52228001       9.07273589      -0.58214412      -0.78689052       0.70318137 
O       6.64549893       1.10683812       8.94722731      -3.26751765       2.42969247       3.42113959 
O       3.70756553       7.01178338       6.00282088       1.69085711      -4.80860400       2.77209082 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.027997653659183892 0.0014990552282561432 -0.00505277402310226 0.0014990552282561432 -0.03256057624530281 -0.0006716327001842618 -0.00505277402310226 -0.0006716327001842618 -0.01403496693065714" pbc="T T T" energy=-928.29518337 free_energy=-928.29562844 config_type=crystal 
Hf       0.02595293      10.22436610      10.33503371      -1.17282323       0.33423220       0.98443915 
Hf       5.18457346       2.62031574       2.51814679      -0.68107476      -0.64249301       3.69000026 
Hf      10.11793301       2.16983395       8.12406895      -2.56941869       3.26995904      -2.95750890 
Hf       0.01925561       0.04249277       5.22577062      -1.70607994      -2.32521633      -2.21325225 
Hf       7.65408518       5.10602369       7.93222643       0.17072485      -0.77923562      -2.54968907 
Hf       7.71143315       7.60158724       4.97271361       1.56786023       2.96490007       1.62297502 
Hf       7.34485649       2.40033589      10.27520661       4.96264064       0.80231609      -0.25922124 
Hf       7.89355320       0.19191494       2.65524019      -1.21140224      -4.12095430       1.54389378 
Hf       2.05915682       2.66016213       5.38872999      -2.68691527       2.88447810      -1.88854861 
Hf       4.91529112       2.37876045       7.49099876      -4.64829854       2.46362336       3.33431606 
Hf       4.92072663       0.10163455       5.04890011      -0.69222776      -1.06010400      -4.29992789 
Hf       2.87383662       2.36889501      10.46242976      -4.30402453      -1.45319681      -4.87302019 
Hf       2.65763329      10.23487176       2.18600915      -0.81134552       1.01400105       0.30273055 
Hf      10.13533328       2.48959290       2.44095145       4.39760567      -2.32380488       2.04675656 
Hf       1.98396167      10.18409237       7.54431714      -0.88876815       1.72252830      -1.10383850 
Hf       7.47636576      10.38768027       7.67655381       1.50778625      -3.04308072       0.55719241 
Hf       2.66383148       5.59324226       7.52860256      -2.18340785      -0.23111328      -0.23080546 
Hf       5.08038925       5.24683615       5.20716224       0.18300804      -0.64531085       1.54882448 
Hf      10.25448950       4.99473439       4.92015068      -0.31186496       0.84837482       6.24484673 
Hf       2.64620001       8.17329285       4.79418986      -3.39944858      -3.69032396      -2.13499394 
Hf       5.37312363       4.75995355      10.42536916      -3.31159750       4.88385968       1.72126934 
Hf       5.20084893       7.87952315       2.44906610       0.37849708       0.87645106       0.03492585 
Hf       4.55987655       8.28386417       7.54991237       4.15833343      -3.88895999       3.49796233 
Hf       7.78594653       7.52892994      10.44995070       1.36891267       1.07581318       4.51455463 
Hf       7.96632594       4.94247508       2.53448358       2.01790058       2.26247422      -0.65431335 
Hf       2.67355562       4.96979333       2.55512879      -1.43875942       1.61870571      -1.86871851 
Hf       0.12141263       7.89912886       2.34555517      -1.28646177      -0.71463377      -0.40288920 
Hf       0.35210013       5.00799464      10.11756188       0.38564547      -2.08792549       1.37340530 
Hf       7.44759061       2.45652191       5.21174309       3.26525994       2.50694630       1.78623563 
Hf       9.60489757       7.78619950       7.85727567      -0.60395255      -0.22823845      -0.40818791 
Hf       5.35491568      10.24309986      10.28344361      -3.84389461      -0.57200885       0.15245205 
Hf       2.74828293       7.63181091      10.41110236      -2.38103089      -3.01000162       2.43271721 
O       1.48345836       8.91800568       0.99054315      -2.16446903       2.02328784      -0.71877144 
O       1.38063831       6.47112189       1.40536711      -0.68516773      -0.03635299      -1.08312227 
O       0.74516623       1.33327561       6.67727505       0.93752787      -5.12398622      -0.22530793 
O       1.06218450       1.31673923       4.25774791       0.42470904       1.92349684      -1.89353744 
O       4.02468668       3.40862385       1.04133143       3.22620942      -0.11402989       5.06214541 
O       0.89288523       1.32054777       9.20813461       2.90244710      -5.34826980       3.26409612 
O       3.61017544       3.80452618       3.96152525       1.80344605      -0.24327881      -0.35536761 
O       6.67060745       3.73704306       1.32872815      -0.46606600      -1.25892381      -0.47977449 
O       3.86206119       1.10184731       3.47984833       1.41271069       1.48114704      -0.77924160 
O       1.11300679       4.18812571       3.94765377       3.79083756      -1.02248897      -5.07258483 
O       1.27051672       1.24019164       1.44991963      -0.26804197       0.24166193       0.20903159 
O       0.78419982       7.41124495       4.01476922       0.45191541      -2.84692951       1.44461074 
O       3.30138434       0.42550619       0.39679604       1.90300672       1.29635231       1.42888429 
O       0.26705368       3.28152295       5.84816205      -1.08618379       0.48537324       2.34704605 
O       1.29262636       8.84798900       5.99618646      -1.99812225       3.81632243       4.41426169 
O       6.41953106       1.31315748       3.74314286      -0.72397486       1.03735479      -0.13293365 
O       5.98143194       9.20243063       8.78017357      -2.11833407       0.83324593      -0.00756882 
O       8.50161733       1.36207231       6.73251775      -0.81742573       1.39936790      -2.66724204 
O       4.17900975       3.72408046       9.24694244      -2.27034121       0.87273885      -1.29595900 
O       2.99258979       9.33503529       8.86824350       1.47035939      -2.21119494       0.60337554 
O       1.64530872       4.03900423       1.04097265      -0.08977185      -1.66978204      -1.50576362 
O       3.78647084       9.34577874       6.21753727      -1.31592475       3.47776616      -1.22814113 
O       0.30610254       9.11836371       8.57366603       3.47461127       2.36318336       1.16480682 
O       1.48907316       6.22551953       9.09236441      -0.90145705       0.32589273       0.30590376 
O       1.51003424       9.51290574       3.64444921      -2.72624030       1.53475218      -0.91154893 
O       3.06683659       6.62931672       3.54753492       2.55267670      -0.61220423       0.38608986 
O       4.02113696       8.69777716       0.91763424       1.16503147       0.91349808       1.49118945 
O       3.72823994       9.19900494       3.58889881       5.06695839      -0.22905076      -0.24716568 
O       1.24011262       3.32963220       8.50867836       1.02184335       4.80478638       1.66728321 
O       9.68141743       3.99521166       1.46276438      -2.71117512       2.56903310      -1.96123588 
O       5.93410316       1.02928023       6.52558988       1.20874825      -1.67532343      -2.01514490 
O       6.42909989       3.77991062       9.12777303       3.04694900      -0.59706380      -0.61130676 
O       3.13870505       1.32335648       6.24118220       4.01325740      -1.99180073       1.62814742 
O       3.51657894       4.03472450       6.63630302       0.73596662      -0.43616852      -1.06841349 
O       9.00479162       3.48894356       9.30573904      -0.53663535      -0.03600396       0.35171952 
O       8.96481063       6.49650640       6.54998429      -1.21217884      -0.21529999      -1.13168920 
O       8.16918654       4.17995129       6.16960689       2.14328649      -0.26455847      -0.50433668 
O       8.91337303       0.65136312       8.89853949       1.35644973      -0.09480303       2.93048970 
O       6.33980405       0.95472603       1.02050327       0.90997940       3.77239456       2.83874548 
O       9.16334492       1.09949964       1.39163012      -1.09915004       0.56416458      -1.46740494 
O       6.41628444       9.03590428       1.14900058       0.88735204      -0.82813608      -0.16892097 
O       9.04287352       9.12701758       6.33523649      -1.21316148       0.56527657       1.03941466 
O       1.12419872       5.81121866       6.30096932       1.56527096       0.27251606       1.37480782 
O       6.35439152       6.26084996       7.14344221      -1.72178211      -2.45234191      -0.73744691 
O       9.27298622       6.18350339       9.48261625      -1.63645966       0.99304603      -2.68796934 
O       6.10819876       3.68684674       6.66993228      -1.46206857       0.08471481      -1.74372068 
O       6.32537995       8.33522401       6.59840250       1.19868756       3.51471150      -2.74762782 
O       6.33987909       6.50375948       9.88600066      -1.75250750      -3.63351478      -1.94343068 
O       3.75731933       6.88096122       9.02884755       2.82341347      -0.94487024      -4.78176422 
O       6.24408091       6.43679390       1.95000963       3.31323381      -3.06529757      -0.52182677 
O       9.00247922       6.75946758       1.40608802      -0.85746878      -2.40050083       1.42191671 
O       8.85688370       1.35162286       4.02232278       0.63200106      -3.85571439      -0.06493088 
O       9.16790567       8.91616447       3.72276444      -1.55173965       1.39413176      -0.72640158 
O       9.13608759       8.96064425       0.72301860       2.41002636       3.19850196       1.10660914 
O       6.12145651       3.95730486       3.91818231       1.01585260       0.03800446      -0.57228304 
O       6.04035016       6.83709528       4.26148225      -0.91180336      -2.01467570       1.74226521 
O       6.53421696       9.27355955       3.80936125      -0.71468776       0.06478021       0.66102878 
O       8.21789393       8.73024101       9.01725100       1.19226271      -0.39813580      -3.97524602 
O       9.13308672       5.98616141       3.75859076      -4.70385267       2.66560490      -0.80550782 
O       8.99645142       3.45276882       3.73725112      -3.12215163       2.93652436       0.59834336 
O       3.93165378       5.97264850       1.09701214      -0.44374468       0.02159022      -0.39095290 
O       4.03453370       1.33422406       8.98402951       0.36057478       0.07117354      -1.10579081 
O       6.56631732       1.24166622       9.05424557      -2.08708889      -1.39743237      -2.20717942 
O       3.70121506       6.98596117       6.14501132       0.69557268      -3.24488507       1.48544610 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03747140200437008 0.012187678834216079 0.0021375016621388463 0.012187678834216079 -0.021134204631629586 -0.005283048479245417 0.0021375016621388463 -0.005283048479245417 -0.03063104769653621" pbc="T T T" energy=-924.12583991 free_energy=-924.12631908 config_type=crystal 
Hf       0.03534258      10.12161774      10.39875152       0.61397495       0.45666068      -0.84465772 
Hf       5.12302635       2.32701775       2.39117692      -3.31409988       3.36238239       1.58375538 
Hf       0.13499556       2.70992274       7.66567378      -2.31854667      -3.86553989       1.78458048 
Hf       0.09373079      10.37475315       5.06982278      -3.63193763       3.32303127       4.18484808 
Hf       7.63609682       4.86199555       7.50507412       0.54569037       2.00310553      -1.04397760 
Hf       7.83870769       7.91599880       5.30958845      -1.08374625      -2.79261479      -0.95984637 
Hf       7.61826294       2.66275053       0.08160601      -0.75445821       1.92049810      -0.92345977 
Hf       7.78266360       0.00304043       2.41439074      -2.08734132      -4.74098568       2.22292851 
Hf       2.56499737       2.75464649       5.35033170       6.56705664      -2.29749219      -4.15054049 
Hf       5.23435228       2.73437492       7.57959786       2.80845949      -2.21411505      -2.90838090 
Hf       4.83624347      10.21035133       4.94771153       3.58499900       2.80089405       2.21253365 
Hf       2.44797259       2.68625029       0.42821861      -0.68892365      -0.42503673      -2.22826459 
Hf       2.43612579      10.38212365       2.85066257      -0.69347298       2.67751620      -3.13563985 
Hf      10.17664201       2.59995553       2.16723708       0.67445608       1.12877279       1.00381878 
Hf       2.62420655      10.16896965       7.52053511      -1.94357393       3.82946211      -0.73103607 
Hf       7.78448189      10.31153939       7.77838617      -0.32203637      -1.58352111      -1.59199875 
Hf       2.65903775       4.76228302       7.77133132       1.37571201       1.89838330       1.31016156 
Hf       5.03758123       5.21532756       4.78128493       2.48628328      -1.33657716       4.11999335 
Hf       9.85736817       4.88904325       5.01114277       0.54739928       0.21565076       0.29919171 
Hf       2.16721531       7.67366503       5.20363231       1.29277040      -1.06999690      -2.16080586 
Hf       5.10990320       5.27774933      10.16891167       1.96151135      -1.39646773       3.65381474 
Hf       5.22050602       7.69910753       2.12877045      -0.38342258       1.24852685       2.52138754 
Hf       4.71023785       7.51066548       7.67454807       2.70092195      -2.57193716      -0.69244941 
Hf       7.81899743       7.87717495      10.14814035       1.54598459       0.06900710      -1.70979293 
Hf       7.75200308       5.30535257       2.36784253      -1.08694827      -2.74625658       4.44289295 
Hf       2.40112127       5.16246791       2.74850052      -2.10423504       2.64965040      -0.89407571 
Hf      10.19896317       7.77628026       2.69990575      -1.72809583       0.37313337       0.43648002 
Hf      10.36675341       5.75522324       0.21816208      -1.23199393      -2.41760750      -0.23501188 
Hf       7.80976834       2.23287564       4.94426930       2.19840853       3.36251837       5.60128132 
Hf       0.08403532       7.38357012       7.42754606      -3.79241674       0.45883571       2.64261709 
Hf       4.94528452       0.35514747      10.24447910       2.20026878       0.71565920       3.44023206 
Hf       2.48397611       7.55821290      10.38434238       0.73711537      -1.02477460       2.17317712 
O       1.57938883       9.28642942       1.51798154      -1.40775096      -1.52732821      -2.30952217 
O       1.14831766       6.56304862       1.53658531      -0.42904417       0.44155466      -4.60617087 
O       1.89206163       1.04656338       5.77513550      -3.78050913      -4.18151327      -0.12148115 
O       1.27065822       1.49917420       2.97429288       1.06626468      -0.84817267       1.87864943 
O       3.21643156       3.77855002       1.77227503       1.82785466      -2.05901862       0.80359109 
O       0.93064571       0.87720352       8.47069809       1.04951243       0.09758220      -0.24310470 
O       3.23353908       4.34865827       4.24681293      -2.45222586      -0.02633748       0.05581310 
O       6.38793936       3.63533776       1.46883457       2.51554674       0.87195767      -1.90643781 
O       4.17172402       1.61647916       4.17717084      -0.98403772      -2.88847801      -1.75493634 
O       0.31506036       4.26202608       3.40799996       3.52738291      -1.57909669      -1.53054179 
O       0.82356790       1.51223758       0.54551519      -2.87069135      -1.06072816       0.41457933 
O       1.30120267       6.95542133       3.51972162       2.90795381      -2.39258288       3.57798630 
O       3.20994858       0.96243428       1.10072533       0.02685252      -3.91913445       2.83183825 
O       1.26104261       3.76553980       6.11691543      -3.16294000       1.35402214       4.34662749 
O       1.08391086       9.16968671       6.83372318       0.22462764      -2.53260016      -3.27488140 
O       6.98135343       1.21184414       3.78021906      -4.43474863      -3.02948226      -5.79579899 
O       6.78387675       9.25735746       9.31250083      -1.62358800       3.04262137      -0.90510658 
O       9.39711169       1.02731635       6.59977545      -0.43514827       1.45513280       0.30378544 
O       4.54706738       3.99525478       8.84351177      -3.74527335      -1.75486186      -1.68109377 
O       2.18511534       8.13127420       8.58344020       0.61230267       0.91284134      -0.22355975 
O       0.82641293       4.05963771       0.84298197       1.36005251      -0.87120803       0.91237870 
O       4.06670669       9.09957625       6.49463494       0.37357082      -0.79854457       0.94311901 
O      10.26538942       7.59445725       9.76660612       0.82255499       1.09665305       0.26805687 
O       1.10285500       5.71800093       9.14486392       0.97649436       0.21588295      -2.86330020 
O       0.87038625       8.94099521       4.12759632      -0.77188917       2.36210877      -1.31565848 
O       4.27248160       6.70181253       3.94389536      -3.62580772       3.74153405      -3.79436335 
O       4.15154456       8.77670225       0.63410854      -0.14514599      -1.08865726       0.88343123 
O       3.19345103       9.27385052       4.33133409       0.80465919       0.20519001      -1.77567331 
O       1.96680328       3.45353829       9.05701607      -0.24359080      -1.28704375      -2.71205161 
O       8.92466177       3.96556018       1.22766475      -0.83091715       0.36047737      -1.74867865 
O       6.47952258       0.91560013       6.02648945       0.67195218      -1.63640113       2.76350491 
O       6.74458433       4.30992862       9.18937174       1.83104354      -1.07484446       1.04395478 
O       4.05805261       1.34493412       6.72102083      -0.84067835      -0.52748335       1.83895363 
O       3.97498060       3.73873324       6.37917810      -1.04427603       1.53577682       1.41411417 
O       9.07652748       3.03621730       8.93979924       0.60369004      -0.01849795       0.37689457 
O       8.76537667       6.29175037       6.25692535       0.78488741      -0.12960699      -2.80964540 
O       9.14748821       3.73965270       6.44965843       0.09600339      -0.83377808       1.32643883 
O       6.65466052       1.49725470       9.13512239      -0.71477354      -1.09241540      -1.15626550 
O       5.94132965       0.93057098       1.48974823       5.24840348      -5.63081410      -0.07821547 
O       8.67408859       1.13212948       1.24697855       1.92002304       3.85609144      -3.19629883 
O       7.13178758       8.89160783       1.31751289      -3.72229558      -0.70023350       1.51709149 
O       9.35787537       9.03165501       6.32997482      -1.05711467      -1.50644248      -1.03282330 
O       0.90649035       6.06274898       5.91605660      -0.48383342       3.30716636       2.28487290 
O       5.66850920       5.86898288       6.85823889       0.91869483       0.71469767       0.46037746 
O       8.43949259       6.61743382       8.25533352       0.79372838      -0.13264959       4.99878450 
O       6.66138495       3.55778332       6.05503256      -1.37175981       0.69463665       3.01504718 
O       6.95164920       8.34035862       6.97603859      -2.04199376       2.32079400       0.22549027 
O       5.92078701       6.82260117       9.46802343       1.79619730       2.75571412      -0.43877755 
O       3.73664377       6.10576945       9.02069281      -3.01711854       2.53602826      -0.92719754 
O       6.19577375       6.23524116       1.64952681       0.31014181      -0.98671266      -2.74059427 
O       8.60075548       6.72294902       1.31141978       2.90991551      -0.28751272      -1.23785888 
O       9.39096112       1.51396744       3.93805072       2.60434350      -2.39242096      -0.91738072 
O       8.76818778       8.90191024       3.86664852       1.19150464       2.18009642      -2.30959016 
O       9.36387543       9.10488094       1.16371386       1.68369407       0.96066750       0.81736231 
O       5.45949196       3.75672422       3.64646406       1.67062408       0.27754028       0.43659292 
O       6.61854303       6.25065379       4.11955148       2.06513606       0.59833940       0.12674906 
O       6.13811838       9.00080170       3.99793947      -1.29308747       0.40796222      -0.50105965 
O       9.31865831       9.52369818       8.79735897      -0.55107910       1.60841779       1.55591579 
O       9.12842005       6.18198014       3.80810437       0.19100114       4.14982437      -3.35043191 
O       8.38221620       3.82906262       3.74785998      -0.48211197      -0.50560933       0.80548413 
O       3.87029851       6.00865547       1.21525497      -2.12569738       2.67216333      -0.17903749 
O       3.84476307      10.11239461       8.94828262      -0.19463557      -0.52152498      -0.29422204 
O       4.67715147       2.34289309       0.39317787      -0.84896845       1.63077797      -4.85793738 
O       3.32661060       6.55163952       6.31961789       0.67774500      -0.55499178       2.79629957 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03866911618587014 0.005922522153183076 -0.009782264793112628 0.005922522153183076 -0.031068310711677566 0.008168854525829317 -0.009782264793112628 0.008168854525829317 -0.03249186091231721" pbc="T T T" energy=-922.49735986 free_energy=-922.50097478 config_type=crystal 
Hf       0.06809278      10.09391768      10.44655693      -1.15617557       0.93803293      -2.16501815 
Hf       5.15308548       2.49011244       2.46590318      -0.04487847      -4.31358194      -2.68158887 
Hf       0.12753588       2.73360147       7.57619509      -0.16989324      -4.96260785       5.09011625 
Hf       0.04708827      10.44365287       5.18669789      -3.85289916      -2.88682347      -0.98073362 
Hf       7.53253021       4.98645112       7.49777541       3.73019572       0.04768349       1.94242503 
Hf       7.84117583       7.88374407       5.40970739      -1.27746389       2.87486065      -2.60139427 
Hf       7.50774656       2.75108002       0.02752318       2.52253094      -1.63137461      -3.43180086 
Hf       7.83086903       0.02752747       2.42945903       0.71644292      -2.82372723      -1.10633357 
Hf       2.68796863       2.79336316       5.21922915      -1.76478141      -3.18074804      -0.31518315 
Hf       5.20353654       2.57827176       7.53057743       2.08697798      -1.60848430       1.75296172 
Hf       4.87518317      10.22588108       4.96057575       2.21152831      -0.21359557      -0.46987648 
Hf       2.56245817       2.67464484       0.42487141      -3.55664509      -2.22229692      -3.02819172 
Hf       2.29683564      10.44253634       2.74425030       1.21406492      -4.83329985       0.97310123 
Hf      10.18870817       2.55434895       2.19851647       0.05009864       0.42375273      -1.33569836 
Hf       2.73872740      10.22388957       7.49108249      -5.63673961      -0.84276494       3.45975542 
Hf       7.88462835      10.22365325       7.70596383      -1.56858270       3.09544554       1.74543663 
Hf       2.58157081       4.82708711       7.81495664       0.40799547      -0.38320463       2.80419032 
Hf       4.97569396       5.15280855       4.84983163       1.42630026       3.64583901       1.82122222 
Hf       9.89748124       4.81726217       4.93996173       1.29469411       2.02449034       1.90999111 
Hf       2.20495727       7.61454649       5.22745600       5.72075521      -0.26176936      -2.39932836 
Hf       5.03707257       5.16105309      10.20350372       0.86823171       1.24357151      -0.91613144 
Hf       5.13113284       7.64195946       2.10419372       0.11690485       2.04578832       0.52257859 
Hf       4.68877230       7.58471782       7.78467468       2.01945169      -3.72644897       1.64343988 
Hf       7.81433139       7.87387569      10.01966774      -0.06274691       2.10888600      -0.32119849 
Hf       7.72020236       5.32829647       2.51040902      -1.79839781       1.37944246      -1.57812617 
Hf       2.25094407       5.08819619       2.69073652      -0.79440485       2.11111781      -4.49011622 
Hf      10.20890166       7.71235324       2.70902495       4.85561761      10.96861665      -5.46560698 
Hf      10.30501591       5.73512656       0.25864011      -2.54539340      -3.22199612      -5.40469199 
Hf       7.91685923       2.35980731       4.91659049      -2.89234731      -4.86728487       2.55004885 
Hf       0.14976211       7.38660700       7.37799174      -3.00698398       4.62463832       7.35701116 
Hf       5.03068066       0.37841258      10.33437266       1.28585134      -2.55049376       0.14550370 
Hf       2.53783465       7.62193835      10.38817521      -0.87280740       1.65505893       1.83319836 
O       1.34930167       9.18904625       1.02098618       1.58303032      -0.73974851       1.13457640 
O       1.09360099       6.40807905       1.38841354       1.23682891       2.89257326       1.74555529 
O       1.46932292       1.05538754       5.56287887       3.81198799       3.45019330       1.84180479 
O       1.14023555       1.31403350       3.03813775       0.80996556       3.17681876       2.14764820 
O       3.45656376       3.53633138       2.02880149       0.69006298       0.18909611       0.07331940 
O       1.40545524       0.90368415       8.48759242      -2.78662313      -1.28318208      -0.30235120 
O       3.08542592       4.52582644       4.34745937       0.86209459      -0.46855748       1.07406292 
O       6.64705997       3.93671429       1.31896193      -2.53757564      -2.51851742       1.63785497 
O       3.98149822       1.39482639       3.93259940      -0.76811947       1.20211606       0.98017555 
O       0.69957588       4.02060905       3.43996300      -1.23397012       0.12597011       2.41094541 
O       0.67933687       1.59753324       0.87606888       1.97532407      -2.30036648      -4.22893384 
O       1.84876077       6.87160548       3.57265139      -3.15592362      -1.62241400      -2.24587782 
O       3.37527948       0.64533480       1.39550659       1.80740857       3.22444526      -2.62553991 
O       1.28557580       3.95929156       6.51607746       0.69791477      -0.71299089      -3.97143289 
O       1.34359780       8.86088011       6.28909269      -0.95105292       2.72701281       3.27255786 
O       6.68696801       1.06527098       3.67912384       0.98795086       4.09670014       2.70086944 
O       6.53766191       9.59481674       9.25162366       0.22541434      -3.64718863       1.41405469 
O       9.38385970       1.09496170       6.83182880      -0.57133770      -0.27919515      -2.61861436 
O       4.00446158       3.68607455       8.83315536       4.46539848       3.83040767      -0.37794222 
O       2.18493375       8.27082381       8.52757874      -0.67831284       0.04373273      -0.66932484 
O       1.08358997       4.03571544       0.97146892       1.46366444       0.14523897       0.83776964 
O       4.21387580       9.04606738       6.68650289       0.43780948       0.89358787      -2.34165540 
O      10.17339738       7.64994224       9.88184055       2.13572372      -0.72893833       1.60657073 
O       1.06901683       5.44604719       9.02265292      -1.41309725       1.80897964      -0.58122092 
O       0.92862835       9.20446045       3.93771570      -0.23657078      -1.59184236      -1.79952200 
O       4.22046574       6.98991248       3.70701909       0.92861638      -4.08220336       2.81062911 
O       3.99243529       8.78700256       0.92792502      -0.86781768      -1.32484901      -1.32939346 
O       3.29504109       9.19298216       4.15852802       0.62857198       1.52650657       0.81121280 
O       2.06374426       3.17588246       8.82399262      -4.33351417      -1.23812824       1.02886198 
O       9.00103844       3.86757447       0.87723251       1.24710999       3.87749435       1.30564521 
O       6.26133811       0.80941739       6.16875923       0.46049548       1.29994691       0.88549314 
O       6.58217779       4.18239065       9.28975600       1.07793946      -0.39845325      -1.68480983 
O       3.71418477       1.31177657       7.21610559       2.72769178       2.88452964      -2.42219479 
O       3.93521333       3.58402177       6.43356435       1.07947367       2.08404206      -2.04000933 
O       9.12751064       2.73135814       8.82864045      -0.52893812       1.29417835       1.52093494 
O       8.54995443       6.17223977       5.83092401       3.02396185      -1.82392759       4.01829648 
O       9.19546161       3.84846067       6.55352521       0.08727217      -0.05774299      -2.30069364 
O       6.80032805       1.18478284       8.93110287      -1.22526923       4.76654119       0.23989275 
O       6.18286704       0.62197277       1.53095649      -1.60426569       2.98095208      -1.78372842 
O       8.74414786       1.59415810       1.11333271      -1.82357312      -2.80119250       1.67059024 
O       6.62435846       8.71807960       1.42929159       2.30208389      -0.08359684      -0.56838080 
O       9.51931776       8.76418645       6.19001200      -1.59480469      -0.48982846      -0.16188288 
O       0.62344882       6.28714357       6.03317254       1.54657455      -2.00739081      -3.29047554 
O       5.80023020       5.56938413       7.28640914      -3.58583696       2.84178134      -2.85434021 
O       8.60984150       6.52615317       8.55869999      -0.66548187      -1.49033114      -1.21907527 
O       6.80403444       3.64794639       6.05508855      -1.71266224      -1.37435270       0.88733166 
O       6.92418893       8.72451756       7.01584364      -1.10585275      -3.54999237      -2.68806976 
O       6.08413352       6.81754013       9.37896528      -1.16448779       0.36642144       1.11091920 
O       3.50849390       6.36976187       8.92381275       2.24294477      -0.76850826       1.99781886 
O       6.17638365       6.07789556       1.54500987      -1.30995345      -0.04594870      -0.47840692 
O       8.55849851       6.75263504       1.20887185       1.76878087      -1.16633386       0.85061279 
O       9.56686570       1.19995914       3.72937656      -4.19515363       1.51424043       1.97438487 
O       9.06549569       9.13819025       3.58741250      -3.26874366      -1.23761369       2.26015089 
O       9.19416642       9.44925136       1.26420256       0.75727786      -0.29036016      -1.99281700 
O       5.68363694       3.77909238       3.68866231       0.21846921       1.80469394       1.63213137 
O       7.01685876       6.22282511       4.50471088      -4.34929961      -0.94987074      -4.30805448 
O       6.03819988       9.04667735       3.96077535       0.75248389      -0.69593256       0.82879208 
O       9.27158741       9.23168345       8.66085251      -0.45924794       1.82422031       1.37785349 
O       9.61845999       6.37274934       3.55059723      -4.24084958      -8.73189796       4.66940664 
O       8.23686758       3.84773034       3.80901890       3.07900558       0.71741916      -0.56978832 
O       3.53170616       6.21426763       1.00388221       1.31214670      -1.79700426       0.34483575 
O       3.55653481      10.26959191       9.27286115       0.50179640      -0.92875701      -0.62352382 
O       4.52617496       2.36478535       0.02183406       2.75262515      -0.67939946       1.61866676 
O       3.32766696       6.31227867       6.49094424       1.31756592       1.44709586      -1.46123592 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.034052187337971676 -0.0008737227667827421 0.012443978036606738 -0.0008737227667827421 -0.00373111318839187 -0.007446913333464116 0.012443978036606738 -0.007446913333464116 -0.03259630949671639" pbc="T T T" energy=-925.07352505 free_energy=-925.0737449 config_type=crystal 
Hf       0.02013969      10.14767784      10.34606749       2.14279710      -2.63113513      -0.11332672 
Hf       5.05478840       2.20882568       2.32895735       0.62724293       2.50743442      -0.79252275 
Hf       0.10880086       2.61799392       7.78465019      -3.80698981      -1.56373540       1.54732255 
Hf       0.07359968      10.36390043       5.03163884      -4.48494672       4.33079792       4.99922728 
Hf       7.74605053       4.78572291       7.50458514       1.83086647       2.46073540       1.86868376 
Hf       7.80987823       7.91593213       5.20167293      -2.69079122      -1.55946970       0.34398249 
Hf       7.71269915       2.60470865       0.10598304      -1.34195467       1.03263372      -2.38026358 
Hf       7.72265878      10.37409629       2.41541528       3.33598919      -0.70935295       0.41524841 
Hf       2.53055039       2.67521891       5.41517943       1.77997101      -2.13569582      -2.55419995 
Hf       5.30150447       2.82783735       7.59325960      -3.75428194      -8.79850112       4.06986558 
Hf       4.86250829      10.23475830       4.97266023       2.72500549       1.22295781       4.05041587 
Hf       2.32176016       2.67474814       0.38735092       1.21725297      -1.33852090      -0.41965315 
Hf       2.55961827      10.34403318       2.89067736      -5.61853484       4.36277587      -5.23215598 
Hf      10.17787922       2.65754045       2.15244551       1.14011063       1.20478923       2.87742987 
Hf       2.47728161      10.17419438       7.54325943       0.59443624      -1.78759023       1.92713237 
Hf       7.68592650      10.37175259       7.82267253      -0.53486966      -2.67417763      -0.79982670 
Hf       2.74641953       4.74667865       7.75198413      -3.01071797       5.26750497       4.70728371 
Hf       5.12595730       5.28693960       4.78133087      -2.13927657      -0.17170662      -1.84617542 
Hf       9.83323091       4.96381504       5.07469323       2.75912942      -1.41213146      -3.86212031 
Hf       2.16632390       7.71785500       5.15781013       1.68534524      -2.15100348       0.37454172 
Hf       5.19789474       5.37438177      10.18314780       0.23319830       1.53591913       1.41152136 
Hf       5.29641590       7.77399403       2.18876480      -0.46994105      -1.72605151      -0.28476854 
Hf       4.77319895       7.40942153       7.57500362       1.87393647       4.84523690       2.56035142 
Hf       7.84181479       7.89095988      10.23580607      -0.75409589       0.32846485      -1.88036639 
Hf       7.75701534       5.25690569       2.30208863      -2.30081466       0.45444406       2.94936417 
Hf       2.50024006       5.27814757       2.77279802      -1.37229499       1.09662540      -1.58680547 
Hf      10.18081446       7.85598278       2.68760985       0.41898215      -2.26232483      -0.08952797 
Hf      10.40152715       5.72825215       0.15532793       0.69467569      -2.39852342      -4.10860388 
Hf       7.73184381       2.13365418       5.03600188       2.64964177       0.03041000       0.01184412 
Hf      10.43373814       7.39573698       7.52803456       0.92873985      -0.33110593       3.73691592 
Hf       4.90156993       0.33443151      10.20999705       1.78269723      -0.53397766       0.98593849 
Hf       2.44832206       7.49249909      10.41377920       3.34761993       2.44579931      -2.13351283 
O       1.58847380       9.14939976       1.60482745       1.08207736       0.51569944      -0.08946499 
O       1.17405875       6.82950990       1.16032061      -1.14989686      -3.53249429       4.10199213 
O       1.77033941       0.60339391       5.89939493      -0.11952889       2.51578929      -2.28410235 
O       1.42744483       1.74449962       3.31260024       0.35321882      -1.87320655      -0.09103097 
O       3.37615477       3.69237907       1.76587684      -0.29787773      -0.85286308      -0.10553559 
O       0.64322617       0.85153192       8.39456894       3.14127055      -1.39701194      -0.82810730 
O       2.96860010       4.12644368       4.22288867       0.77367501       0.29588164       0.91292514 
O       6.46324701       3.44583329       1.37138786       0.71161275       1.19031913       0.36910821 
O       4.14080383       1.41476210       4.09437493      -1.35017707      -0.57013637      -2.13608784 
O       0.48526390       4.26691819       3.26330381      -0.44630079      -0.38893435       0.67394010 
O       0.65838238       1.36812366       0.23530833       2.41848048       4.81421181       3.72717567 
O       1.11830185       6.58545518       3.77264111       0.55152065       0.78967433      -0.46542890 
O       3.12484571       0.79320787       1.22873282       2.80160010       1.06767460      -1.13083438 
O       0.93842105       3.67002002       6.24336597       2.89196066      -0.18757223      -0.09198047 
O       0.97562693       9.02160442       6.82576238      -0.36620310      -0.82729552      -3.16785598 
O       6.70814437       1.25800553       3.39324597       0.62618433       1.60444273       4.80801127 
O       6.76521876       9.34381654       9.31097643       0.15642864       2.12813717      -0.00248570 
O       9.32352247       1.20128636       6.38479855      -0.28123331      -0.30802620       1.23304994 
O       4.64978748       4.18990402       8.65787404      -2.60524072       1.39529460       1.21701892 
O       2.26739631       8.19668920       8.59099533       0.23290478       3.17037610      -0.37573087 
O       0.85843542       3.95494494       0.89448164       0.69143830       0.16004349      -0.30548351 
O       4.03510965       9.02146564       6.38719835      -0.98186317       0.64555047       0.46248434 
O       0.06843136       7.70343070       9.77203012      -1.76273915       2.13405089      -1.67327785 
O       1.17263640       6.01789021       8.82291868      -0.83223312      -2.89285957      -0.55020223 
O       0.74530386       8.97328595       3.99429817       2.18776047      -0.17054727      -0.17922837 
O       3.84364214       6.76802611       3.70005184      -0.56293227      -0.58086770       1.37679152 
O       4.26229506       8.56751661       0.50810041       0.16233243       1.46147528       2.35677263 
O       3.29308527       9.38619847       4.24362064       0.69820148      -3.35331929       0.58946209 
O       1.66055337       3.29473464       8.96090234       2.64461263       0.68269748      -1.26832789 
O       8.83585700       4.13184769       1.23748079       2.52903985      -3.06484893      -2.27197785 
O       6.79260504       0.80331246       6.32248165      -1.53120108       0.93013167      -1.94694532 
O       7.18863464       4.20372840       9.21976559      -3.99392826       1.87384659       0.58950815 
O       4.24455412       1.35805267       6.51730295      -1.97649840       1.51310995       1.31873818 
O       3.88735653       4.14287823       6.43768489       0.45806853      -3.45536390      -3.03757196 
O       9.13070681       3.32195859       9.15834742       3.27460907      -1.45113893      -1.69661185 
O       9.14600054       6.24062832       6.38660063      -3.06741210       0.60075900      -0.53249504 
O       9.07761795       3.57899548       6.43984658      -2.11824100       1.71711132      -0.20446608 
O       6.38996132       1.75176023       9.12632011       1.46356969      -2.51695194      -1.76188612 
O       6.32213982       0.63109082       1.40656947      -5.53263449       1.54986615      -4.89579166 
O       8.79193884       1.16301932       1.00002887       0.73556132      -0.07382578       1.83859448 
O       7.01736626       8.83949474       1.43259723      -0.87558518      -2.98262250       0.15897871 
O       8.95147795       9.03394637       6.29505434       1.74123467       0.50652508       0.82699893 
O       1.05546802       6.36072745       6.14522295      -1.10456236      -0.16071394       0.77617981 
O       5.70584098       6.21130067       6.42116148       3.34961547      -3.45736695      -0.01438032 
O       8.38872482       6.59033013       8.65976664       1.08771732      -0.43829328       0.60803108 
O       6.35696882       3.59754672       6.47229295       6.52707835       3.69656703      -6.15424733 
O       6.63759538       8.26419682       6.84736681       0.39732761       2.21952091      -0.61026283 
O       5.97207934       7.17199945       9.53584054      -0.56652770      -2.92229860      -0.94972195 
O       3.62794402       6.23620175       9.09107162       0.63747199      -0.80939639       0.52731892 
O       6.25230588       6.20109644       1.28365463       2.12724129       0.12244383      -0.08247051 
O       9.11824711       6.58688172       1.24706992      -3.53631504       0.79053402       1.15369262 
O       9.46517454       1.46039923       4.03323557      -0.78663924      -1.35211626      -2.07027532 
O       8.61045985       9.07246502       3.78227096       1.74707077       0.34499401      -0.71706119 
O       9.74340067       8.93244182       1.18321134      -3.69589120       1.76378875       1.01767308 
O       5.55783175       3.69191291       3.61869064       0.24591322       0.61034884       1.72433953 
O       6.42227990       6.33375678       3.71344554      -0.72400308       0.36262552       0.81359604 
O       6.03321482       8.99961671       3.96191051       0.03512379      -0.24294154      -0.89403345 
O       9.14546509      10.08927436       9.10132913      -2.02459319      -0.63556134      -1.41012471 
O       8.72958530       6.42440286       3.69744743       2.79592821       0.72721733       1.65411494 
O       8.52098661       3.78404843       3.81285037      -1.09964897       0.52806352       0.85090272 
O       3.83961757       6.21785502       1.34599592      -0.61653388      -0.28175489      -1.62658080 
O       4.13654545       9.90355038       8.69399781      -0.41453858       2.10728754       0.46430252 
O       4.76218317       2.49133940       0.07243479      -3.66284195      -2.36718604       0.12121971 
O       3.40071434       6.69108970       6.50532878      -2.69538894      -2.25386739      -1.46108378 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03559026733365251 0.008574176337151056 0.005781452456455668 0.008574176337151056 -0.01804608066591506 -0.006723034970153024 0.005781452456455668 -0.006723034970153024 -0.03517000098395145" pbc="T T T" energy=-923.77447313 free_energy=-923.77595079 config_type=crystal 
Hf       0.02642046      10.13110430      10.38170836       1.88365310       0.29970681      -0.78260864 
Hf       5.10416489       2.28274991       2.36818393      -3.39761757       2.39930818       1.54607972 
Hf       0.13129157       2.68425909       7.70271743      -2.88798807      -3.50833623       2.05543948 
Hf       0.09452444      10.36268394       5.04759058      -4.31726761       4.68610903       5.15920413 
Hf       7.67110479       4.83182432       7.50596856       1.32499587       2.22855655      -1.03318930 
Hf       7.83335004       7.92334649       5.27155564      -2.46673062      -4.57558701       0.71441213 
Hf       7.65291297       2.63978643       0.09093296      -1.33763663       1.97681257      -0.32335738 
Hf       7.76280430      10.44181061       2.41232105      -1.27410626      -3.26653972       1.74942547 
Hf       2.54300883       2.73264789       5.37916985       6.73717877      -3.15607285      -4.10311739 
Hf       5.25397473       2.77463358       7.58805476       2.78876694      -3.87564152      -3.17720812 
Hf       4.83749889      10.21289127       4.95087829       4.56548173       3.62870700       2.80233977 
Hf       2.40425737       2.68326627       0.41440804       0.22268077      -0.31261172      -0.05576231 
Hf       2.48326263      10.36197748       2.87224795      -2.30429109       4.01425094      -4.19337811 
Hf      10.17586939       2.61694970       2.15870702       0.58585924       1.58114212       1.79189083 
Hf       2.57307477      10.16665380       7.52715121       0.53981995       3.08123650       0.40395708 
Hf       7.75123318      10.33573840       7.79670736      -0.11851457      -2.00344419      -1.92680259 
Hf       2.68860905       4.75124882       7.76014892       0.66589977       2.82478118       2.26887231 
Hf       5.06651933       5.24293708       4.77972190       1.30284767      -2.40297387       1.53195897 
Hf       9.84758813       4.91417845       5.03673012       0.58460376       0.50439902      -1.89410157 
Hf       2.16360531       7.69237504       5.19026163       1.83658336      -2.01446354      -1.60494993 
Hf       5.13581374       5.31030141      10.16695114       2.77915307      -0.07710516       4.35033602 
Hf       5.24667100       7.72539402       2.14676959      -0.11160866      -0.11225587       1.75379394 
Hf       4.72724312       7.47428487       7.63981609       2.65223828       0.08209884      -0.14939587 
Hf       7.82429521       7.88347393      10.18046876       1.85884792      -1.19506647      -1.22550313 
Hf       7.75750087       5.29059084       2.33784723      -1.93844765      -1.50211215       4.43682753 
Hf       2.43867463       5.19702259       2.76046182      -2.27141728       3.01384866      -2.04239199 
Hf      10.19539482       7.80498005       2.69699583      -1.90475599      -0.57316293      -0.70358133 
Hf      10.38052421       5.74955589       0.19804887      -1.39829726      -2.04349910      -0.12355423 
Hf       7.78119205       2.19586402       4.97099673       0.83395042       2.24269614       3.29191901 
Hf       0.04840000       7.38842110       7.45602867      -2.97562621      -0.36094443       3.16779014 
Hf       4.92600191       0.34580691      10.22547803       2.66203234       1.65165491       4.67410050 
Hf       2.46991707       7.53621536      10.39205168       0.75860891      -0.69679626       1.88382084 
O       1.58477065       9.25187191       1.56827969      -0.39457750      -0.86639101      -1.31551355 
O       1.15849761       6.67188851       1.43895943       0.02573975      -0.44198050      -2.72783577 
O       1.89757020       0.91446643       5.84129863      -2.79596268      -1.74103835      -0.91277029 
O       1.30492948       1.61657136       3.07446498       1.11760421      -1.70599984       0.94716339 
O       3.26216058       3.79685990       1.78295527       0.61529279      -2.72376711      -0.73567018 
O       0.79021673       0.86447285       8.46512483       1.95819111       0.38544322      -0.96679278 
O       3.15024498       4.28684374       4.19389980      -0.56678069      -0.74907886       2.34279353 
O       6.33995016       3.52841904       1.47560923       4.24121422       2.38698521      -2.45288716 
O       4.19029545       1.59386777       4.18645603      -1.46512436      -2.70518223      -1.84213954 
O       0.33129354       4.28109968       3.36526260       2.60949684      -1.00798348      -0.58408069 
O       0.77612996       1.41538651       0.38777658      -1.19196836       1.52297288       2.29911600 
O       1.19156169       6.85329173       3.55843861       2.82130403      -1.70072978       3.13179529 
O       3.15022112       0.94706163       1.11460289       1.35773466      -2.81616289       1.95985661 
O       1.17686233       3.71569714       6.09558186      -2.36823982       1.27659890       3.97220401 
O       1.08089806       9.17469405       6.91356385      -1.94372575      -3.11552432      -4.33800714 
O       6.92825055       1.22851282       3.65005439      -2.56336921      -0.66007707      -1.48431636 
O       6.80132600       9.20095416       9.34634685      -1.60628291       4.71090573      -2.03861304 
O       9.38006999       1.07178702       6.50557568      -0.41585626       0.95448315       0.99867082 
O       4.66240334       4.06982091       8.78981284      -4.30416343      -1.03637407      -1.01809890 
O       2.19945592       8.11503296       8.59862603       0.76477872       1.69753795      -0.65719128 
O       0.81608133       4.04347215       0.84855125       1.14667067      -1.16356078       0.75984864 
O       4.06746643       9.07959146       6.41965561      -0.50428611      -0.52609097       2.20468698 
O      10.37248795       7.58218427       9.78732271      -0.54528412       2.55638639      -0.81127542 
O       1.10392726       5.86159269       9.08925992       1.55189075      -1.82913242      -3.14516144 
O       0.81047877       8.92671325       4.09664400       0.56509800       1.66465697      -0.79028743 
O       4.19050038       6.67906152       3.90187346      -3.85831447       3.10242352      -2.86329246 
O       4.18931655       8.70612688       0.55466747      -0.03831840      -0.32155259       1.71356980 
O       3.24732464       9.34945950       4.33963107      -1.21998870      -1.58893170      -2.34464777 
O       1.84230678       3.39411027       9.09958232       0.78584621       0.23830947      -4.27403816 
O       8.86986242       4.06594496       1.28880127       0.79532940      -1.79046092      -2.83741402 
O       6.57495873       0.90475212       6.09353928       0.83285302      -1.71916841       2.23829273 
O       6.92516061       4.26590789       9.15961100      -0.89807903       0.08817153       2.24289723 
O       4.15083275       1.33480661       6.60792789      -1.32764795       0.56547290       2.34945805 
O       3.98080787       3.89325151       6.39321935      -2.13217427      -0.33631805       0.87427986 
O       9.04949140       3.15085778       9.03337293       2.02214131      -0.70840680      -0.80082142 
O       8.89016904       6.26926479       6.36596724       0.85660880       0.20434419      -3.91463210 
O       9.13898222       3.68375628       6.43083340      -0.47065973      -0.29444793       1.01936710 
O       6.56852129       1.63162124       9.17026413      -0.49614220      -2.39166120      -1.94003804 
O       6.04042143       0.90771374       1.50685754       3.26396345      -5.36619317      -1.80606716 
O       8.67950464       1.08869674       1.19257754       2.03912148       3.33162186      -2.24590242 
O       7.14777271       8.90910742       1.33583240      -3.10496613      -1.45878474       1.30084559 
O       9.19703290       9.03710078       6.31031794       0.93974015      -0.46953943       0.21800979 
O       0.97260931       6.12722024       5.95590195      -0.69172942       2.27230612       2.11394470 
O       5.63461703       6.01497496       6.69938626       2.04845915      -0.87787332       0.75550598 
O       8.40747721       6.60270191       8.30593833       0.69336542       0.44741623       5.29682832 
O       6.53483907       3.55271789       6.19372122       0.13569292       0.48342343       1.39950945 
O       6.87713206       8.26091525       6.92050556      -2.04882664       2.82703287       0.86480962 
O       5.92426639       6.95100145       9.49837029       1.00485940       0.16489678      -0.32646694 
O       3.75049976       6.12659688       9.06216032      -3.29143228       1.67482872      -1.23419739 
O       6.19375733       6.22977331       1.57384875       0.92059216      -0.40704070      -2.81475404 
O       8.76472284       6.67200458       1.30593654       1.38028036       0.17037085      -1.13271558 
O       9.37348288       1.54796438       4.00387443       2.82027525      -2.87778984      -1.67238373 
O       8.65859934       8.89862353       3.91912971       3.06029827       3.51579802      -4.64239883 
O       9.51912780       9.04162009       1.11914166      -0.78601060       0.16217346       2.58314237 
O       5.47256634       3.69212652       3.58126811       1.20207636       2.47618407       3.03722869 
O       6.52897758       6.26919184       3.96459195       1.61286682       0.53150101       0.74611211 
O       6.12128884       8.99956250       4.00253967      -1.14022893       0.13036837      -0.82457782 
O       9.30758098       9.71292760       8.92552439      -2.02152811       0.42368464      -0.73854573 
O       8.95325741       6.21379759       3.77236753       1.71641123       2.91022180      -0.56269134 
O       8.45185034       3.82186648       3.74346669      -1.14324860      -0.59688008       1.39196819 
O       3.89409948       6.04269469       1.28020654      -1.92860625       2.28126034      -0.90271394 
O       3.96609071      10.04105102       8.89507957      -1.33215356      -0.40088699      -2.15323055 
O       4.76488450       2.40763774       0.35810815      -2.88223585      -0.32881218      -4.65541853 
O       3.38537978       6.62228563       6.36410625      -1.28251093      -0.92379179       1.54134004 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.06227065228313186 0.007307188519674098 0.00586199485629144 0.007307188519674098 -0.03200330035049279 -0.010920502935103122 0.00586199485629144 -0.010920502935103122 -0.026857920588376622" pbc="T T T" energy=-925.55034544 free_energy=-925.55078866 config_type=crystal 
Hf      10.28574105      10.21008476      10.38206264      -3.03333933      -1.83017754      -1.82969904 
Hf       5.06772577       2.27925525       2.50233874       1.47977569      -0.88218623       0.17312220 
Hf      10.16151458       2.28477261       7.76015509       0.29672381       0.28611056      -4.43841441 
Hf       0.06557964       0.12277062       5.08726941       0.12971057      -1.02738543       3.04910359 
Hf       7.54891149       4.48798558       7.28334935       0.56092381       3.90462658      -3.01517606 
Hf       7.51709298       7.66769061       4.92707616       2.08996550      -1.66539177       3.28258156 
Hf       7.36342865       2.52545816       9.87727593       0.04621311      -5.27154922       1.20807941 
Hf       7.88257101       0.03860583       2.30479738       0.27575278       0.52631141      -2.00536492 
Hf       2.56195673       2.35771993       4.61819055      -0.86901286      -0.49715048       2.95736290 
Hf       4.62556294       2.79412865       7.77951694      -0.71572313      -1.24988716      -1.81854473 
Hf       5.31626003      10.36235719       5.11542872      -1.73987295      -2.40941445      -2.57505650 
Hf       2.86058212       3.00813513       0.13284256      -1.09871124      -1.26491642      -3.55472557 
Hf       2.08390551      10.17180798       2.36401734       0.12286559       0.54409787       1.25174741 
Hf      10.40835342       2.76472031       2.42530521      -3.34125816      -3.71843916       1.92818613 
Hf       2.82217723      10.39816991       7.65411218       4.14261257       6.66736135       1.58957584 
Hf       7.62509705      10.26506193       7.28369526       1.82018108      -2.47153978       1.31534028 
Hf       2.34663037       5.23783177       7.92580301      -0.62281244      -3.12671340      -3.71377402 
Hf       4.78953742       5.13708737       4.99337964       0.45414087       2.21621931       1.71450727 
Hf      10.19805365       5.03567429       5.57503337       1.29334119      -0.05916346      -3.79142605 
Hf       2.90156064       8.03900784       5.43626600       1.09422463      -0.65598411      -1.03636581 
Hf       5.43470853       5.23504609       0.03150159      -3.21906008       0.95535215      -2.70691938 
Hf       4.98623699       7.69118294       2.40197647       0.68472715      -0.24936603       0.52612941 
Hf       5.57990685       7.63604041       7.84335008       0.61262097       1.01979682      -1.70214923 
Hf       8.03890872       7.67673372      10.18525988      -1.70622560       2.01695598      -1.06584251 
Hf       7.67598382       5.24277025       2.11112653       0.17411656       1.28125831       2.57703739 
Hf       2.13169104       5.20264221       2.97631987       0.90117214       0.83446739      -0.44603042 
Hf      10.08717421       7.81963315       2.90557956       0.00445077      -4.61123244      -0.08800690 
Hf      10.22871721       4.94725269       0.01176851       0.99168718      -0.06510484      -2.83039229 
Hf       7.55076683       2.68868357       4.64489757       1.12716281      -1.90979905      -0.72860074 
Hf      10.36257771       7.58619283       8.09398940       0.63068286       1.63966805      -2.31550283 
Hf       4.90198470       0.03964429       0.15332198       3.53074226      -0.95659711      -3.95622452 
Hf       2.52651169       7.50953545       0.11366534      -2.22288485      -2.65120437      -2.79651676 
O       0.91109537       8.66634925       1.86539072       3.04232954       0.85525374      -1.34698424 
O       1.12511671       5.89938290       1.07316521       1.78458856       1.01582208       1.76772677 
O       1.33454558       1.78667977       6.56422690       0.14206232      -2.06133332      -2.72143972 
O       1.05803465       1.18658763       3.68999916       1.69505980       0.81305523      -0.97892289 
O       4.39519204       3.69019352       1.24054225       1.11736852       0.72321812      -2.33527489 
O       0.00104997       1.28009015       9.22799391       2.38521124      -1.29775945       2.36777571 
O       3.79247519       3.96406059       3.57711753      -0.75229016      -2.57971052       0.61315263 
O       7.15818919       4.34914474       0.40296921      -1.66407278       0.62269586       1.08874116 
O       3.76478456       0.78653744       3.50124700       0.29421841       1.84384864      -0.30294403 
O       1.01149972       3.60283445       4.15535467       1.30206359       1.74920550      -0.66639163 
O       0.64784396       0.70199985       1.26600463       4.21127405       1.89550382       3.49523916 
O       1.02845036       6.25941861       4.13615841      -3.93372919       0.83775554      -1.02554066 
O       3.43804926       1.14764091       0.84234699      -0.34977658       1.01994496       2.49671948 
O       0.84179019       4.01013343       6.70289317       0.30379539      -0.19563159       3.72651592 
O       1.27561062       9.77232182       7.18179675      -4.96022449      -4.84224029      -1.63709357 
O       6.58044250       1.21106473       3.37784715      -2.01682129       0.27320141       3.74684904 
O       6.42418245       9.46806813       9.04774470      -1.22093867      -2.61411075       0.97614551 
O       9.43255024       0.51569929       6.78705711       1.60182246       0.94316320      -2.97035627 
O       3.83751282       4.08346894       9.04425390       1.02681979       2.83278688       1.79452897 
O       3.48037080       9.86220491       9.41950297      -0.56765365      -2.56353413       0.39105858 
O       1.59416899       3.46472509       1.75882011       1.31324253       0.14167549      -1.53953143 
O       4.20667202       9.45673899       6.53635415      -3.08161350       0.73240956      -0.18627325 
O       0.83435636       8.40517235       9.74365646      -0.85780011       3.14358780       1.97885516 
O       1.70728045       6.74137519       8.82838769       1.72625511      -0.79466518      -0.18041353 
O       1.76305682       9.38674261       4.58540183      -1.14818253       1.31875486      -1.59447599 
O       3.28144047       6.46118559       4.31412693       0.97119235      -2.77536611      -1.04027641 
O       3.22939520       8.53559093       1.43961838       2.37051260       6.05276163       3.25765889 
O       4.34882950       8.55490767       3.99420847      -2.63853733       1.57576424       2.05026434 
O       1.53903849       4.06297413       9.44585613      -2.87300726       0.77888948       0.75370206 
O       9.15556979       3.40371489       0.69555152       3.10639062       1.70429685       2.45843703 
O       6.70643022       0.89285258       5.86371859       2.26699031       2.06138443       0.48766507 
O       6.34238878       4.11942034       8.64326301      -6.04860181      -0.93323819       1.92157062 
O       3.87495816       1.77439486       5.94951181       1.77338382      -1.71032060       1.41562621 
O       3.57457864       4.31031733       6.26075525      -1.33555133      -0.65216155       2.70957894 
O       8.39931421       3.44605276       8.63328611       6.02429684       0.49110456       0.41750813 
O       8.34869924       5.81590888       5.65366426       0.89287707      -2.20208959       1.05739881 
O       8.76596728       3.15313470       6.41590619       0.06894142       0.43341178      -3.73749584 
O       8.06332250       0.93469823       8.61430659      -0.33812029       4.92354387       3.89616443 
O       6.51946537       1.40031016       1.20608365      -3.06145462       0.73685874      -2.84216818 
O       8.84855543       1.14488925       0.74528439      -1.63864619      -2.70494661       1.17272649 
O       5.72417243       9.43163099       1.57110944       0.87420683      -0.71455879      -0.10472825 
O       9.25917408       8.26951082       6.15911599      -1.49331131       0.38212187       0.29435460 
O       0.66143035       6.37473614       6.66589944       1.88293456       1.78743946       0.01375240 
O       6.15580825       6.58089443       5.93002814      -1.69105329      -1.73470189       1.88002303 
O       9.60699877       5.86477965       8.78474824      -0.29087724       0.56419820       0.29845110 
O       6.14610629       3.25577693       5.99515302       0.25874000       2.98592560      -0.08407500 
O       6.33563976       8.93480173       6.51435787       1.71877822      -0.05465227      -1.75069774 
O       7.13021618       6.61743999       8.71850693       0.55231462       0.06268599      -0.17003252 
O       4.70478580       6.80726630       9.34459386      -2.86878985      -0.96040969       2.73243607 
O       6.41506524       6.66428409       1.01201508       0.99815430       0.58751438       0.36682543 
O       9.07303888       6.41774573       0.77315808       0.02252208      -2.20114391       1.24067391 
O       9.04589385       1.11405844       3.51708686       0.26482153       2.68047843       1.64942213 
O       9.71365395       9.32359186       3.82179761      -1.63023220       1.75157058       1.85801759 
O       9.07087563       8.80141828       1.48574418      -2.83126069       3.16793838      -3.88329302 
O       6.72855514       3.62982573       3.00850511      -0.83170446      -0.29998437       0.76299902 
O       5.72897097       5.96189238       3.55548861       2.61767018       1.82640170      -4.06419097 
O       6.51661836       8.99656226       4.05228374       1.12125487       2.98369097      -2.26786753 
O       9.03774131       9.11600703       8.93800868      -0.51255177      -2.82888638       0.67917393 
O       8.14313983       7.23010674       2.89954778      -0.44050361      -2.72578198       2.72303943 
O       9.26704361       4.08208834       3.63481518      -1.94297032      -0.03003715      -1.44785022 
O       3.80933383       6.37521026       1.35473917      -0.10782249      -3.15365521      -0.04466100 
O       2.91112622       1.94111347       8.71227703       1.16540153      -0.87373240      -0.26758672 
O       5.63253823       1.42996729       8.82366461      -0.68895613       1.46013147       1.69799290 
O       3.84930708       7.03980454       6.83414047      -1.10534953      -1.68566231       1.74800941 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.060344517960650546 0.009776518466596265 0.019304199554826013 0.009776518466596265 -0.03783763127796104 0.0036492931017059567 0.019304199554826013 0.0036492931017059567 -0.023035927912598838" pbc="T T T" energy=-923.16749736 free_energy=-923.17051769 config_type=crystal 
Hf      10.26378442      10.24889898      10.37789238      -1.11089110      -4.54431229       2.47357218 
Hf       4.99092113       2.22742778       2.52279242       1.61085624      -0.52815318      -0.07277623 
Hf      10.15808188       2.25953661       7.75402295       2.00990915      -2.72396439      -1.53886772 
Hf       0.11640811       0.10762038       5.11211293       1.21256265      -0.76889655       1.97437201 
Hf       7.50643023       4.56800460       7.35166475       1.36355984      -0.86705649       0.06430262 
Hf       7.43604148       7.63430563       4.86723786       1.09020327      -0.77064555       4.16505001 
Hf       7.33193523       2.57316875       9.85290674       0.09589351      -3.00840295       1.01196241 
Hf       7.97173613       0.04026316       2.28644312      -0.44568958      -1.40539082       3.96001369 
Hf       2.62921190       2.30253135       4.60409247      -2.75275000       0.77604690       0.59790077 
Hf       4.61924575       2.78866457       7.79433394      -1.91417169      -1.08666929      -2.03953583 
Hf       5.40261832      10.33957164       5.12454625      -3.10789626       0.76129003      -1.25711286 
Hf       2.91436928       3.08998835       0.06720483      -1.75998096      -4.67910199       0.15857124 
Hf       2.09118151      10.15766218       2.38094129       5.38502267       2.14819481       4.90068168 
Hf      10.41431727       2.69432056       2.45562035      -1.11749581      -3.04444742       1.32587159 
Hf       2.91317142      10.44544416       7.65463591      -5.82877770       2.24962545       0.56273824 
Hf       7.60557518      10.23379206       7.24869765       4.65176885       1.38832601       4.84270694 
Hf       2.30435833       5.18070599       7.94197654       0.84363650      -3.96887909      -3.22324480 
Hf       4.78914421       5.15954773       4.99420982      -0.10386534       0.86842937       0.44698428 
Hf      10.19647200       5.06398421       5.63790446      -0.11393397      -1.20378003      -1.59547030 
Hf       2.92064879       8.03789905       5.43636480      -0.18926937      -0.07608832      -0.98577555 
Hf       5.48943315       5.22739247       0.01908857      -4.09110758       1.02613794      -1.27132376 
Hf       5.02357421       7.72655765       2.40504683      -1.56664581      -1.36184687       1.17279698 
Hf       5.53137749       7.66963440       7.77493609      -2.86422339      -1.39205738       1.25248266 
Hf       7.95629440       7.63931329      10.19793005      -0.18042653       2.01362774      -0.91676935 
Hf       7.70005388       5.30953958       2.12243881      -0.68283009      -0.25446639       3.36954952 
Hf       2.05902432       5.20700797       2.98524356       0.77678300       0.87825958      -0.66456460 
Hf      10.07764986       7.79922019       2.86960628       1.80184348       1.48223078       0.17491606 
Hf      10.21486551       4.91176463       0.00184896       2.03357258      -2.33716140      -3.32014604 
Hf       7.51730754       2.63030007       4.58680796       3.68637978      -0.95730408      -0.77287621 
Hf      10.35765410       7.61937361       8.06948248       0.65889397       2.89279304      -2.44268398 
Hf       4.99950310       0.06116625       0.09540318      -0.65406273      -1.38565141      -2.10879327 
Hf       2.50853798       7.56008478       0.15138019      -0.92569062       0.03167202      -0.85527575 
O       1.22519828       8.62858103       1.88720982      -4.58797687      -5.12382504      -0.03850456 
O       1.05822702       5.95645509       1.14532631       1.65292978       0.80955544       1.61126462 
O       1.52367013       1.53970163       6.64790208      -2.51516622      -0.26635379      -2.17809579 
O       1.04010113       1.18106043       3.73276835       2.87341947       0.44658977      -1.38766578 
O       4.58520684       3.75058517       1.42504922      -0.42285784       1.75569592      -5.96668793 
O      10.45041551       1.27815882       9.50533983       1.79222267       4.33482757      -3.76677703 
O       3.84403954       3.80994401       3.49780708      -1.97661676      -0.23193697       2.81748961 
O       7.22021577       4.35468115       0.51720444      -1.35012077       0.32541811      -0.51259956 
O       3.79010470       0.99881909       3.58259408       0.68384876      -0.94394947      -0.69983136 
O       0.94291241       3.38312400       4.25642593       0.38415958       5.14540301      -1.49890265 
O       0.99480320       0.60702683       1.31028053      -4.22547807       2.80052395      -2.30083425 
O       0.89634033       6.49829759       4.08172422      -2.29858913      -1.70627625      -1.84143472 
O       3.22488552       1.14394676       1.08718615       4.01850679       1.85638695      -0.97601721 
O       0.63783032       3.87120006       6.83342814       1.53003857       1.91940123       1.35182449 
O       1.11630438       9.61068517       7.25924611       1.72185559      -2.60195941      -0.12715380 
O       6.55408170       1.13150591       3.53451999      -1.43619352       0.97081020       0.39490056 
O       6.28834247       9.43781945       9.32121834       0.36027692      -2.09177568      -0.37276208 
O       9.54978518       0.35688109       6.76863765      -2.42384602       1.71759399       0.20462689 
O       3.75999501       4.21340252       9.27919853       1.20453730       1.82148305      -2.00520642 
O       3.50909487       9.70030274       9.39462795       0.25039237      -0.41238222       0.16346509 
O       1.70089178       3.54538820       1.45052646      -2.22844378       0.73803612       3.69380854 
O       4.29776093       9.52909497       6.76068156       0.38303800      -1.67034318      -2.81848391 
O       0.88200959       8.31234657       9.65942449      -0.39782269       3.35768491       3.30550444 
O       1.56468235       6.61207575       8.66129010       1.66643303       1.20896615       2.32713732 
O       1.75458527       9.42569718       4.65915128      -0.56804144      -0.10503911      -0.86798220 
O       3.24376760       6.47013304       4.20683341       0.81756792      -2.56860021      -0.28003993 
O       3.26630520       8.86957658       1.29926632       2.99600659       0.42195034      -0.10054271 
O       4.24097593       8.73240657       3.93822236      -1.33090175       0.32611166       2.34792979 
O       1.28539243       3.99713953       9.37251852       0.40073051      -0.10468733       0.20013486 
O       9.34704400       3.25332502       0.72713621       1.73047948       1.61015362       1.99082784 
O       6.77242432       0.99278825       5.98289176       0.34711992      -0.11275340       0.11078475 
O       5.99609697       4.02580133       8.72725018       1.85431805       0.93904350       0.40388745 
O       3.69947243       1.66614002       5.89998052       6.39167013      -2.62499665       5.30620518 
O       3.62135052       4.17232017       6.27718488      -0.52028993       0.19885020       1.43075374 
O       8.76421377       3.25852829       8.74782925      -0.47573419       5.08619859       0.62482733 
O       8.18774301       5.72673131       5.98945606       3.01500419      -0.22793275      -2.04628572 
O       8.80723163       3.12675318       6.46104105      -0.91033043       0.98589213      -3.03520694 
O       7.90372373       1.11794255       8.76224623       2.93311332      -2.96307384      -1.70121772 
O       6.38419476       1.61911120       1.08904045      -2.28086081      -1.12932127      -1.01140392 
O       8.68092930       0.92877436       0.90270839       1.78350656       0.40490538      -2.47758978 
O       5.51525734       9.33546472       1.55856559       3.77301200       2.82137830      -1.12247988 
O       8.91818957       8.17577763       6.20661767      -0.92461059       0.52276532      -0.79661643 
O       0.62760014       6.52675215       6.51836066       1.19261960      -0.22588141      -0.82435116 
O       5.99218952       6.37377336       6.17031399      -0.23317942      -0.45990404      -0.58983743 
O       9.69234068       5.88913251       8.70821907      -1.95646807      -0.26673912       1.12443481 
O       6.40961161       3.40132169       5.96278745      -3.10135808       2.95538327       1.73346682 
O       6.42580931       8.80927746       6.51114213       1.70136774       1.63270364      -2.40510769 
O       7.12825618       6.67054277       8.64117783       0.26599376      -0.38428880       0.73201446 
O       4.52480065       6.70867825       9.16612024      -0.83406724      -0.86351394       3.45327206 
O       6.52027901       6.68887631       1.03364861      -0.31535692       0.98854655      -0.76585147 
O       9.00655413       6.24261104       0.73999362      -0.91270246       1.32555226       1.67900113 
O       9.22205235       1.20288989       3.57425251      -2.38234685       3.10758248      -0.09696111 
O       9.57505519       9.53152470       3.75229901      -0.01334840      -3.33744685       0.27395081 
O       9.11156162       8.87447288       1.52914385      -1.39471429       1.71606305      -5.19090332 
O       6.78903167       3.82589586       3.18264917      -1.87934885      -1.82111828       0.20913198 
O       5.68231433       5.94864123       3.38777644       2.48003986       2.07999712      -0.24742251 
O       6.52319416       9.20172312       4.11306243       2.39636063      -1.21561201      -1.86410935 
O       9.06617808       9.12216158       9.05954795      -1.72520229      -2.51658555      -0.00848048 
O       8.06371111       7.52793440       2.88629998      -0.52936781      -4.25528562       2.96961367 
O       9.12359607       3.88828498       3.48089663       0.20920634       2.05717767      -0.14369270 
O       3.92491323       6.40085475       1.42516194      -1.71557939      -1.47133146      -1.34544719 
O       2.92656764       1.76963724       8.52733488       2.76827090       3.01869202       2.51920468 
O       5.88881852       1.55019336       8.62792228      -4.67457788       0.43638544       1.10319194 
O       3.68534558       6.89978866       6.87118673      -0.75316059      -0.19440012      -0.09377258 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012923599377989375 0.0020917755049543662 -0.003290913911455823 0.0020917755049543662 -0.00401174815969453 -0.0005282254646665732 -0.003290913911455823 -0.0005282254646665732 -0.006974845098176582" pbc="T T T" energy=-1063.43063871 free_energy=-1063.43063965 config_type=crystal 
Hf       1.94984261       1.61238948       2.24631150       0.54158435       2.27610944       3.88986899 
Hf       3.23109948       7.29175780      10.61018189       2.57998060       0.60182644      -1.44921094 
Hf       5.08674919       5.37435909       2.24306869       0.98860141       1.75589422       0.32084632 
Hf       8.92657137       5.12065954       7.82478452       2.02572249       1.93369672       3.03449690 
Hf       0.25927210       7.01337559       5.33054182      -0.16431961       4.96644004      -1.81017943 
Hf      10.73659876      10.88009278      10.61532133       0.36492564       1.24004512       0.53079333 
Hf       7.18817824       3.54803990       5.14190502      -0.79062330      -2.42618093       0.32148338 
Hf       7.26800728       7.10696569       5.45053387      -1.59844240       0.07752105      -0.93518836 
Hf       1.64942646       5.28336830       2.64337724      -0.92217553      -0.19980373      -0.81104237 
Hf      10.72839491       3.26465781       5.31220764       3.63481932       2.84647508      -3.00750924 
Hf      10.82357417       3.63519751       0.19366229      -0.16523037       0.69256985      -2.33698464 
Hf       1.93542484       5.15198768       7.79336753       0.10430421       2.35745922      -0.81213776 
Hf       8.94616278       9.04734089       8.00784906       0.50957885      -0.59150576      -0.02988332 
Hf       1.70980716       1.68940446       7.93035472       0.23323937       0.57698395       2.18947945 
Hf       7.38937072       7.28701101      10.47585790      -2.09105033      -0.37959206       1.19521015 
Hf       8.73077713       9.03934487       2.95133838       0.98344647      -1.00260999      -2.71800793 
Hf       5.07899464       8.98612533       2.41938403       1.82806472      -0.65810749       0.54448052 
Hf       5.44260588       9.30715246       7.98392233      -5.13501386      -4.83313301       0.49820907 
Hf      10.95075733      10.75165307       5.30046738      -1.71253050       0.02596491      -2.47047341 
Hf       3.52767522       3.47355959       5.18167683      -0.76727250      -0.06865915      -1.36594364 
Hf      10.95380387       7.29407401      10.32589174      -3.59196321      -2.58261004      -0.73716256 
Hf       1.64562790       9.09872343       7.93184842       1.60208875      -1.24383825      -0.64734419 
Hf       7.24064138       3.78252712       0.07484708       0.48459595      -3.01366046      -1.55341277 
Hf       8.94995563       5.40803707       2.68726566       1.16689971       0.70750301      -0.44893024 
Hf       3.82368037       6.99041072       4.81316461      -1.95135058       0.30351714       2.99104695 
Hf       3.77373318       0.04667398       0.02207463      -2.59697767      -2.77008457      -0.41446109 
Hf       7.19996263       0.07284546       5.24267815       2.31767061      -2.01206961      -1.58285205 
Hf       5.66962581       1.62424387       2.62567369      -1.37327120      -1.47929148       1.07274455 
Hf       5.34946793       1.72504302       7.58139827       1.93677279       0.67785019       2.00507920 
Hf       1.42560228       8.98663873       2.57960101      -1.83634786       3.03669207      -0.92891116 
Hf       3.32998877      10.93412624       5.25066552       3.72426914      -1.77773537      -1.14513351 
Hf       3.73577480       3.61060272      10.21659310      -2.05219805      -0.75642585      -2.08597695 
Hf       7.18171826      10.95356382      10.54728574       3.68058845       1.87050700      -2.25969900 
Hf       9.03633350       1.79145248       2.52222152       0.76151005      -0.31681121       2.45400516 
Hf       5.44280516       5.47586939       7.88384009      -1.67419725       0.12790843      -1.44675429 
Hf       9.04976545       1.70016764       7.77138463      -1.65993954      -0.65523775       3.13468881 
O      10.50577490       9.58454808       1.64764232       1.04954600      -0.26969983      -0.97180103 
O       5.06986479       7.10863911       3.36524397       2.91173324      -0.16846145      -2.39757310 
O      10.82499834       5.57216660       4.05771556       0.64334331      -3.03519936      -0.83909237 
O      10.52012661       1.73166110       4.22947914       1.28779965      -1.98233404      -0.06205146 
O       1.76298134      10.86955826       3.88480480       0.12118444       1.53790084      -1.72384015 
O       1.70241855       0.08467903       1.16872349      -0.74139173      -0.68837009      -2.81434234 
O       2.12260306       3.98106090       0.67408735      -2.09054047      -1.30662691       1.27065633 
O       0.44950638       1.93558644       9.72575162      -0.40850140      -0.71003120      -0.29197150 
O       1.74410405      10.82852135       8.97391781      -0.26874918       0.39466548      -0.20175160 
O       1.75748757      10.47563988       6.27226548      -4.02411276       1.65532954       1.09467395 
O      10.95422940       1.81000723       6.74982454       0.90530222      -0.94316444       1.59973201 
O       1.88432365       3.38710448       3.32379034      -1.28625792      -0.36733461       0.94941578 
O       1.47196500       7.53325839       0.95970570      -0.26948951       0.98871095      -0.00676066 
O       1.80630531       7.19285909       8.94302132      -0.20062129       1.59810065      -0.09935557 
O      10.72862915       2.28671342       1.62396335       4.17885211      -0.53888127       0.36541557 
O       3.74783911       5.10825625       6.45535330      -2.06229201       2.65932695       2.46155098 
O       3.51042062       1.65287771       6.73409606      -1.38123869       0.16054552       0.44337036 
O       5.39097123       3.50573955       8.69785791      -0.42293035       0.74446976      -0.44267737 
O      10.83287099       5.28440452       1.48013225      -0.04901592      -0.06007326       0.04173481 
O       2.36221527       7.51958289       5.95042871      -3.99078847       0.09709771       1.33430523 
O      10.85298358       8.61502348       6.89466156      -0.02162902       1.70932976       0.58084145 
O       3.87622206       1.66307489       4.10441067      -1.33968349      -0.66529071       1.04995614 
O       5.86738676      10.67162705       3.37631205       0.91291138       0.67259538       0.26885076 
O       5.51165771      10.65401451       0.75221614      -1.95518381      -0.94052396       2.11602821 
O       3.90028889       1.67405664       1.64056351      -2.03515602      -0.50406342      -2.37911333 
O       3.61481300       1.62116436       9.54065279       0.59187416       1.13927965      -1.00022567 
O       5.78887047       0.01075770       8.84019787      -1.09769390       1.76823930       0.14990812 
O      10.89686335       9.15639110       9.64415683       0.50225362      -1.30863571      -1.54484451 
O       3.48441885       5.08344858       3.79303773       0.95009341       0.69690082       1.01529987 
O       5.59253457       3.36978228       3.37122416       0.10292016       3.79035378       0.09473869 
O       5.32538161       4.15509017       0.54255263       0.14866508       1.30232792       1.90417816 
O       8.98403307       7.09924390       6.24061667       1.30111714      -0.52855067       1.81983894 
O       3.51417315       5.48870500       9.19119444       2.15012651       0.41542664       1.11062498 
O       5.30051072       3.74541958       6.02356176       3.15791690      -3.61709898       0.07527880 
O      10.94288085       5.45874856       9.19188979      -0.05713105      -0.85029793       0.65338320 
O       9.15988103       0.08371151       6.43824720      -0.29479571      -1.83932243      -1.25397181 
O       1.73471399       3.59668367       6.29462549      -0.21447697      -1.35957807      -1.24571535 
O       6.62018688       1.93791284       0.95690612       1.12098522      -0.15519631       1.13882757 
O       9.01927709       0.75708951       0.85525983      -1.20812091      -2.16373491      -1.63743263 
O       7.32587654       8.71710404       4.38396708      -0.58751251       2.94624689      -0.15497774 
O       7.50080201       1.90780926       3.90868253      -2.14203081      -2.67007393       1.53768521 
O       3.51143635       9.56879697       7.25676544       3.05765401       0.40885549      -0.44552298 
O       8.94512820       7.26050822       9.05730380       1.31413868      -0.52686954      -4.47668084 
O       7.34845784       1.72181834       9.31338808       0.86157048       0.61293905      -0.29902174 
O       7.71425633       9.09409869       9.64502978      -1.76520542       2.72120561      -0.97422990 
O       5.84485640       7.27829080       8.69649751       0.55379803      -0.73111919      -0.06018338 
O       9.05719132       7.20969188       3.64272836      -0.17477106      -1.18171363      -0.29714563 
O       5.14913484       7.41120877       6.17159918       2.71647272      -1.48620905       0.64965640 
O       7.30065922       8.94266113       1.43841279      -0.56501000       0.82341851       1.46619917 
O       9.08910768       7.30077251       0.66778903       3.86645956      -0.73324323       2.63086459 
O       7.63622540       5.24741805       9.46630719      -1.23087579       1.12912853      -0.71975450 
O       4.03454086       8.97851321       9.63972761      -1.19009233       0.86518614       1.66415970 
O       9.32387285      10.89998230       9.03115231       0.08039540       0.79663987      -1.38937230 
O       7.22969119       5.18159254       6.83251911      -0.84351128       0.26139458       1.64082412 
O       5.48109419       0.41635627       5.90708280      -2.61612205      -0.44633287       0.91275594 
O       0.41584101       5.61380532       6.49243969      -1.07137097      -2.45596994       3.14499300 
O      10.86136361       9.20708024       4.03671627       0.08406699      -1.12565039       2.22413348 
O       1.58101511       7.32364305       3.45135269       0.99231301      -2.84117028       1.46683861 
O       3.95749071       9.06381444       4.21126199      -0.88335227       1.32750317       0.27301824 
O       3.23604491       5.99707611       1.54886925       0.88218263      -0.84369391       0.04590587 
O       5.25454504       7.17417111       0.84393527      -0.90683303       0.67125873      -0.63364051 
O       9.14598652      10.86765049       3.59992538      -2.21512164       0.48386733       0.64664070 
O       9.19623950       3.38349536       9.05092438       0.99218355       0.77180661      -0.90500723 
O       7.19618401       5.90438473       1.61301771      -0.40202087      -2.46102366       0.61097696 
O       8.75333487       3.68485087       1.31867817       0.20112026       0.20401667      -2.33891177 
O       9.04947588       3.56599997       3.55882942       0.66796211       2.75414758       2.51313214 
O       7.13676217       5.26133360       4.54140436       0.61525580       4.34856833      -3.52315015 
O       3.24188117       9.30513119       1.63297409       1.83363391      -0.54130838      -0.63892519 
O       9.11555437       3.48678896       6.24570084      -2.47635309       1.10219272       2.47604666 
O       7.29343878       1.70935928       6.76067579      -0.48730226       0.81974749      -1.23493885 
O       2.12779292       3.52788689       8.78646179      -0.04140095      -1.78845676      -0.58381714 
O       6.92596567       9.28391862       6.82491491       4.88575745       0.26968179      -1.06594395 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014536738164591747 0.005983163020574766 -0.004172060235570253 0.005983163020574766 0.01047625859851768 -0.004241097468147503 -0.004172060235570253 -0.004241097468147503 0.007832838931162114" pbc="T T T" energy=-1064.0785896 free_energy=-1064.07881764 config_type=crystal 
Hf       1.93613687       1.64292648       2.41367477       0.64264385       0.41548988       0.67510443 
Hf       3.16885855       7.28631924       0.01288341       3.22569433      -0.73206789      -0.67406722 
Hf       5.06203388       5.40452819       2.16589663       1.96043519       2.06544673       2.22744714 
Hf       8.95423362       5.19222720       7.74772182       3.84157779       0.81194795       3.37048141 
Hf       0.23332752       7.04788173       5.25625212      -1.39907074      -1.18025802      -0.29644350 
Hf      10.74897783       0.07346206      10.57507823       1.37354437      -1.30334874      -1.54535377 
Hf       7.26548323       3.56758431       5.23436467      -0.22785210       0.93133087      -1.76037697 
Hf       7.24905581       7.13988376       5.40693818       2.94699158       0.92996818      -1.75154467 
Hf       1.72014579       5.20777815       2.69596124      -1.48415943      -1.55965023      -1.43559800 
Hf      10.86194559       3.25504425       5.22380848      -1.44544274       1.00822109      -1.15923577 
Hf       0.04468963       3.48182600       0.16952617      -0.39390628       1.66235222      -2.96260922 
Hf       1.99777237       5.30537759       7.83747034      -4.76302182       1.61307937       1.72607517 
Hf       8.99894451       8.97132246       7.89475905       3.88991634      -1.12969629       3.20652808 
Hf       1.69586368       1.70075641       7.89989796       0.00668678       0.26059328       0.08866396 
Hf       7.31955690       7.20730906      10.57480772      -1.09401347       0.09702995      -0.53658801 
Hf       8.76853326       9.06386144       2.82518777       0.92221121      -1.85951570       0.76802262 
Hf       5.16769913       9.22070228       2.39723575       2.31402832      -2.01192789       2.62004126 
Hf       5.27782643       9.20270420       8.02795031       2.59955011      -0.45227748       1.04618601 
Hf      10.78653862      10.63518038       5.36106597       1.11155742       0.37536276      -3.65507400 
Hf       3.44429338       3.50554640       5.18151760       1.35899666      -3.00336444      -0.00962863 
Hf      10.82136566       7.28137250      10.40144161      -1.11382057      -3.31920292      -2.53640638 
Hf       1.66562238       9.17442008       7.88340951      -0.83430091      -0.30185083       0.79984175 
Hf       7.21682479       3.72202086       0.04565963      -0.23903249      -1.02916033      -1.34567578 
Hf       8.99981266       5.44314535       2.66099205      -1.01800489       1.65937226       0.91609618 
Hf       3.90377136       6.95610168       4.86726442      -2.03202224       3.05033967      -1.08872829 
Hf       3.68910837       0.00547756       0.10086273      -1.84542397       1.42055802      -0.92359527 
Hf       7.25198928       0.13557009       5.27955291      -1.12851603      -3.56640404      -1.23662290 
Hf       5.67004005       1.66555610       2.70554743      -3.33908547       1.21410509       1.30970135 
Hf       5.24377299       1.69316412       7.67113616       0.78785464       2.74678029      -1.69404125 
Hf       1.49977988       8.95826707       2.44582006      -0.75123949       3.66710573       3.86855198 
Hf       3.27056441      10.80292288       5.20589585       1.06869446       1.55343055       0.91898268 
Hf       3.60645982       3.52219481      10.26070164       0.53969561       0.04322437      -0.47089534 
Hf       7.24121657      10.85708134      10.47707938      -2.35644073       2.92519608       0.23153294 
Hf       9.05684818       1.83337375       2.50747846       2.37308622      -0.34582928       2.43095762 
Hf       5.50431335       5.41115931       7.80448036      -0.27537309       1.25090266       4.20874933 
Hf       8.96981371       1.63390893       7.82611495       0.31491883       3.22064963       0.29433644 
O      10.60001874       9.79251520       1.64031947      -0.50463656      -1.60566930       0.90980063 
O       5.34553561       7.27766510       3.24118494      -1.82013457      -0.31570889       1.89524415 
O      10.95505055       5.16927975       3.80057560      -0.17169760       1.93864803       1.03628395 
O      10.43465655       1.64414720       4.05886838      -0.13216852       0.51897809       1.41909079 
O       1.59901724       0.40096100       4.10302890       0.40110566      -1.61213989      -1.21739942 
O       1.54885224       0.09676449       0.95587097       2.63866561       0.00690654       0.41693641 
O       1.90397301       3.46774360       0.95223691       2.57735374      -0.43358721       0.08788322 
O       0.58892740       1.94683234       9.58986719      -1.60911911      -1.14411015       2.13926066 
O       1.58718290      10.89056759       8.87140950       1.16750578      -1.30046918       1.71507817 
O       1.35618638      10.82227074       6.59009288       2.78114947      -0.28418443      -1.62286850 
O      10.90196873       1.91391876       6.98077028      -1.03265254       0.09188101      -1.86605706 
O       1.61602041       3.26987232       3.55670117       1.05534952       0.98805272       0.61948516 
O       1.45167077       7.84186634       1.01758964      -0.30384013      -1.74746816      -2.32424815 
O       1.70840611       7.29456111       9.12436514       1.80523388       0.22230200      -1.29531174 
O       0.11123671       2.01839989       1.67107374      -3.89554458      -0.10281539      -0.85646594 
O       3.72925280       5.02537028       7.12798937       0.37231862       0.61817612      -4.12819757 
O       3.34242799       2.18853901       6.73960496       1.18798614      -2.41496897       1.29315737 
O       5.28556662       3.65323646       8.69967855      -0.14191217      -1.07185410       0.70565083 
O       0.50542482       5.41989694       0.97865455      -0.72390256       0.25589243       0.44545504 
O       2.05748224       7.42543809       6.00196905       2.44374202       0.56895176       1.48239506 
O      10.85169877       8.80070007       6.98349109       0.20079797       0.29561256      -1.78060747 
O       3.72020665       1.71689942       4.21234221       0.49854765      -0.55763088      -1.41609328 
O       5.81812825      10.80675047       3.56781825      -1.04774295      -0.29743263      -0.57484884 
O       5.48396456      10.69089066       1.05616345       0.01583592       0.98648728      -1.88709073 
O       3.71716833       1.70558604       1.29408118       0.88724256       0.67272212       1.03210265 
O       3.92164443       1.50486478       9.13776193      -2.51033886       0.12887979       2.87430077 
O       5.94209419       0.18324710       8.86406390       0.36302085      -2.57487905      -0.10692826 
O      10.90426610       9.11953370       9.56484472      -0.23398522       0.02067503       0.74030924 
O       3.73758900       5.13707952       3.93799199      -1.35648587       1.71994135       1.30853530 
O       5.47300549       3.72280629       3.41484877       1.36560554      -2.28743375      -1.17966389 
O       5.29451790       4.35372486       0.58368888      -0.23297817      -3.05995314      -1.15153880 
O       9.27899981       6.80522047       6.21846244      -1.53327164       0.66368145      -0.06574737 
O       3.73796282       5.56438894       9.81035485      -1.69399912      -0.55643456      -2.73937889 
O       5.55520047       3.23871653       6.11076037      -1.27429285       1.56436231      -0.35639844 
O      10.69320719       5.69697067       8.85414354       1.53539091       0.59698934       2.44618089 
O       9.10986130       0.07597274       6.11419067      -0.63229948      -0.26475089       2.21747384 
O       1.64541590       3.52852880       6.02459277       1.03718458       0.52981004       0.50575417 
O       6.69231724       1.87926263       1.08769012       1.61726446       1.07377883       0.66303962 
O       8.85999208       0.55117127       0.70585297       1.92086592       0.95772371       1.64900385 
O       7.27569729       8.95889332       4.34486480       0.44994040      -0.44902875       1.11406362 
O       7.26543963       1.70601847       4.04854348       0.99935563       2.77796754      -1.58796447 
O       3.70910044       9.77170778       7.07100454      -2.38714092      -1.18005436      -0.11772757 
O       8.88663609       7.16970796       8.78619670      -1.54743929       1.07750766       2.06519489 
O       7.65813992       2.24027466       9.31766976      -0.97670963      -1.44288729       0.35866521 
O       7.69566498       9.19715126       9.76832672       0.27996038      -3.21247597      -0.67518982 
O       5.71488022       7.37982640       8.82048468       0.76874733      -0.64874529      -0.28188551 
O       9.05953240       7.18040058       3.69147785       0.64678731       1.07435086      -0.41380479 
O       5.32097171       7.33623412       6.32802968      -0.73772426      -0.25884866      -1.48323244 
O       7.18151667       9.01494717       1.59937497       0.57447484      -0.60526590      -0.59868942 
O       9.34819955       6.98175888       1.18124446      -1.29866555       1.07169671      -1.93187561 
O       7.50019439       5.10972359       9.30301716      -0.92073139       1.69445984       0.57842440 
O       3.98318757       9.27983236       9.80057074      -0.13543181      -2.02627783      -2.46859883 
O       9.35786756      10.85033420       8.66754145       0.00791195       0.90727724       1.72174535 
O       7.11061163       5.49454170       6.79659851       0.68681753      -0.50594772      -1.71484595 
O       5.23163703       0.44016924       6.05621947       0.42833806      -1.48860587      -0.33525749 
O       0.51572795       5.48772148       6.53349749      -0.66465563       0.12398396      -0.80265653 
O       0.08423049       8.90283267       4.18683485       0.40273896       0.74085424       0.00363363 
O       1.93602402       7.00860283       3.57173026      -0.44985329       1.37286671      -0.25465321 
O       3.56313694       9.13753134       4.12912384       0.27634547      -0.31193818       0.42920466 
O       3.20623637       5.85207871       1.49311143      -0.05871395       0.18299385       0.62148091 
O       5.15117715       7.20492044       0.65875024       1.58522277       1.12341343       0.67967794 
O       9.02070422      10.78853447       3.77367679      -1.26525779       0.23339714      -2.09796112 
O       9.67406923       3.45499936       8.73293584       0.02754740       0.10478810       0.28507682 
O       7.10774159       5.58524182       1.62981770       1.60809266       0.23458478      -1.51542030 
O       9.08770005       3.78757301       0.87944282      -0.48562141      -0.79463129       2.13919909 
O       9.12819759       3.74105066       3.76743438      -1.95494095      -2.22504265      -1.22864896 
O       7.30672063       5.61337157       4.19403939      -0.27610639      -2.06470643       0.87747960 
O       3.39163917       9.53066987       1.61415045      -1.48436295      -0.95112120       0.49471195 
O       8.90982118       3.66328399       6.40350674       0.82163456      -0.70564171      -1.85905472 
O       7.33669482       1.64647195       6.55435531       0.05838945       1.18067252       1.88880270 
O       2.14446159       3.57870147       8.81840586       0.09283072       0.83162397      -0.06330644 
O       7.41977548       9.27930417       7.06843221      -5.58768696       0.24134925      -2.41504322 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.006628452295538578 0.007750320912684236 0.009507494668343122 0.007750320912684236 0.003795388049641924 -0.010171028798225241 0.009507494668343122 -0.010171028798225241 0.009311481122818292" pbc="T T T" energy=-1063.16188792 free_energy=-1063.16189144 config_type=crystal 
Hf       1.94991470       1.69690034       2.60049008       0.60772699      -2.64845058      -1.45356814 
Hf       3.21267609       7.27104318       0.01291721       0.96752147       0.68007488      -2.33409024 
Hf       5.11964688       5.48398439       2.14076032       4.41135550      -1.79225547       1.32957256 
Hf       9.10642747       5.29557405       7.77292733       2.49400249       0.12796095      -0.12358380 
Hf       0.17837540       7.05409894       5.17275665       1.22322521      -0.49781736       1.34377246 
Hf      10.79921701       0.15701000      10.51400230      -0.86052056      -6.27427014       2.86417297 
Hf       7.33248454       3.60869944       5.26273985      -0.85069721       0.27954825      -1.75561016 
Hf       7.31058109       7.20017485       5.31081918       0.30283569       0.87025409      -0.43164065 
Hf       1.74716340       5.10117550       2.70329387      -0.78025751       2.66905793      -0.66150273 
Hf       0.00081162       3.29417525       5.09956759      -2.54718071       0.73166354       3.21937090 
Hf       0.20658929       3.39086348       0.06054342      -2.82122585       4.12123079       0.92334363 
Hf       1.93320373       5.52654330       7.92202743       0.08836377       2.17882963      -2.22105097 
Hf       9.10531610       8.87916870       7.85372059      -2.57947182       1.16090278       1.65053769 
Hf       1.67364886       1.72089047       7.88694185      -1.91126995      -0.00219955      -0.20519289 
Hf       7.21298164       7.12568139       0.02537908       0.20849946       0.44439278      -2.79647900 
Hf       8.84111446       9.03711993       2.70123822       0.81228120       1.74259483      -0.12504775 
Hf       5.32323445       9.38710935       2.44812581       0.08176171      -3.04108266      -0.46629127 
Hf       5.16147459       9.06230448       8.09372766       1.99008497      -1.13502311      -3.16163450 
Hf      10.64483207      10.54639504       5.31035341       3.96248223       4.15978337      -2.43229043 
Hf       3.43386250       3.45450185       5.18030781       0.76859750      -1.58523179       3.61041973 
Hf      10.64647985       7.16981665      10.40974775       1.50928483       3.60868956       2.60759604 
Hf       1.68034122       9.22854130       7.86293965       0.33741806      -1.53919634      -0.55295524 
Hf       7.18522889       3.62722100      10.60671237      -0.58472821       0.50231553       2.18361998 
Hf       9.01630254       5.53253798       2.65370757      -1.06260400      -1.77113521       0.54303497 
Hf       3.91355628       7.05134920       4.91860674      -4.64874139       1.02782818       2.43691206 
Hf       3.53016168      10.94468092       0.13770188       2.89089581      -0.76604324      -2.53338874 
Hf       7.27148613       0.10698052       5.27299673      -2.20225482      -1.29846415      -0.44510160 
Hf       5.56757045       1.74770704       2.80937278       0.59709175       1.02069657      -2.64760064 
Hf       5.16684215       1.73451974       7.72769073       1.61511616      -0.50926970      -1.07612829 
Hf       1.54166182       9.01853921       2.40119739      -0.51477006       0.33148799       3.12827289 
Hf       3.26226064      10.71743978       5.20621653       0.76001952       0.32645423       0.52855060 
Hf       3.49324687       3.41910991      10.28597687       2.10370898      -0.16276152      -0.21797904 
Hf       7.26521689      10.83031277      10.40725111       1.76479046      -0.52610037       0.78227932 
Hf       9.12906805       1.86251430       2.56908308      -2.93018203      -1.89997550      -0.29878260 
Hf       5.54823366       5.38815861       7.84139339      -1.21823040       1.21030770       0.04312367 
Hf       8.89868791       1.67595312       7.89462874       3.63054820       1.26392977      -1.84435114 
O      10.64478825       9.51547368       1.82632729      -0.43151842       0.06352646      -0.29577917 
O       5.21230166       7.32374801       3.52407418       1.32751086      -0.37922797      -2.38591460 
O       0.01282718       5.33185649       3.93441746      -0.76321748      -0.54950522      -1.38752513 
O      10.36858267       1.56573335       4.34132640      -0.03318668       0.15883715      -0.51712238 
O       1.37262640       0.19557347       3.86297719       1.74424579      -0.12779617      -1.39781063 
O       1.87908481       0.11624152       0.87171033      -5.26244314       0.79622523       3.71207506 
O       2.02397342       3.15328734       1.08142454      -1.65963602       1.72593614       0.28087012 
O       0.31644850       1.75629939       9.79808781       1.89963240       1.40787087      -4.57437980 
O       1.75337753      10.75187230       9.13535382      -0.35829314       1.20426697      -1.50757066 
O       1.61695945       0.10722539       6.41516781      -1.09346415      -0.59347694       0.01255243 
O      10.73565939       1.86531981       6.80043324       0.90632992      -0.64571490       0.95850493 
O       1.64734690       3.34454174       3.79776179       0.30637040      -0.29762716      -2.10711616 
O       1.40228682       7.91215697       0.69701676       1.38972206      -0.07607639       1.09589461 
O       2.17156619       7.50002851       8.84253550      -0.71903859      -1.57621176       1.04799490 
O      10.75527107       1.69760415       1.56241623       5.04821223       1.00261920      -0.10850411 
O       3.69116646       5.20667937       6.63542078      -0.02340898       0.30726101       2.38473296 
O       3.40178267       1.97862566       7.02154355      -0.54841439      -0.26628853      -1.70483496 
O       5.14727024       3.50223013       8.79990248       0.92944267       0.13134610      -1.02255893 
O       0.82017317       5.46750733       0.74607693      -0.61394294      -1.30557506       2.14827640 
O       2.11074133       7.43384156       6.47110048      -1.64334310      -1.12119906      -2.23711091 
O      10.79698692       9.08952028       6.59734218       0.00236606      -2.35744928       3.95149368 
O       3.64862409       1.60597178       3.92368876      -0.39969894       0.99111299       0.78737867 
O       5.52325989      10.83554075       3.65640810       0.21868012       0.58271353       0.44866095 
O       5.58420724      10.88733502       0.94068946      -0.12711183      -0.91736471       0.41118152 
O       3.87598706       1.74017106       1.26963533       0.13441727      -0.55091348       2.20868219 
O       3.59021733       1.51971892       9.46364356       0.52566947       0.76683248      -1.69142202 
O       6.05171751      10.68962042       8.78128802      -0.90049542       3.01941848       0.25888607 
O      10.77663954       9.04216462       9.55045549      -0.80161262      -0.74188085      -1.44280626 
O       3.55306860       5.14831818       4.31617362       0.18510584       1.04437563      -3.94625434 
O       5.65712972       3.70869200       3.07896929      -1.80627128       1.56909773       1.11070593 
O       5.18696679       3.88735358       0.60729706       1.11882853       1.71792952       0.73851657 
O       9.20650166       6.83792369       6.22856339      -0.01403795       1.64494885       0.40691905 
O       3.52307228       5.51212630       9.59548812      -0.02503214       0.36325280       0.14161771 
O       5.32710466       3.18124968       6.05710720       0.68811570       0.63123603      -0.61910233 
O      10.83197019       5.98026237       9.10145284       0.53520507      -3.43221733      -4.92397646 
O       9.00217861      10.78890533       6.33809747      -1.52017228       0.59161655       0.05614280 
O       1.67011895       3.52428697       6.15879835       1.22405157      -1.78671369       0.39059822 
O       7.29769464       2.12725936       1.49571617      -1.98125586       0.06111469      -0.73442760 
O       9.01920895       0.39509034       0.80655616      -1.81565716      -1.30560614      -1.24861933 
O       7.29631013       9.12793257       4.50542392       0.69431316      -1.88205667      -1.31699450 
O       7.23806639       1.95917865       4.00679819      -2.42626136      -2.98546699       2.74880169 
O       3.44749461       9.49668381       6.91610812       1.18883224      -0.26528660       0.37470619 
O       8.53471710       7.16069183       8.86936618       2.83203814      -0.88445782      -1.17883085 
O       7.71706118       2.17386125       9.37382139      -0.92857349      -0.71975630       0.79334273 
O       7.63972989       8.92857829       9.79109350       0.01340705       2.98604451       0.81305141 
O       5.79899765       7.20871264       8.78078866      -1.59601732       0.81627463      -0.63068253 
O       9.28026808       7.37306973       3.66321034       0.15996287      -1.07481027       0.89703723 
O       5.44425870       7.16399561       6.17471028      -0.02515040       0.30690930       0.21281669 
O       7.21229788       8.94419322       1.65716750      -0.33539624      -0.24987653      -0.16846185 
O       9.26434769       6.96877087       1.16094562      -1.75079562       0.31423951       0.11052788 
O       7.05824994       5.41233149       9.35257795       1.25526744      -3.73215386       0.34243794 
O       3.78647950       9.13945477       9.46515330      -0.08929962       0.39560807       2.89438402 
O       9.37378608      10.94393580       8.86512202      -0.91257342      -0.27873847      -0.29600861 
O       7.17153904       5.42832889       6.53287325      -0.79091159      -1.13759380       1.78194757 
O       5.12738006       0.17109821       6.14727056       1.24765864       0.88727232      -0.00652724 
O       0.35156982       5.34837025       6.52494870      -1.05076303       1.74907369       0.53609646 
O       0.41015714       8.92734990       4.34937224      -0.72629633      -0.49714255      -1.49782222 
O       2.03364461       7.02252265       3.57313360      -1.80296089      -0.92482374      -1.10756963 
O       3.22511027       9.08160523       4.11523418       1.33528527       0.17730310       0.90769203 
O       3.32523332       5.73026080       1.58943653      -0.41536425       0.53339004      -0.68210587 
O       5.38285536       7.54550249       0.70834026      -2.14371704      -1.79754474       1.17543761 
O       8.50738571      10.93027213       3.37870305       1.16569541      -0.58073563       1.23304367 
O      10.17362941       3.64061986       8.53421829      -2.48837006       0.17284268       1.75798814 
O       7.36312080       5.29285171       1.28645997      -1.32616877       1.41048244       0.81667350 
O       9.34810029       3.68171209       1.00038447       0.26726153       1.00671633      -0.40834172 
O       8.77250853       3.39941420       3.69861969       2.59294408       4.88629923      -0.22567133 
O       7.47384093       5.55197831       3.93786604      -0.47089297       0.85644870       1.22153165 
O       3.38134086       9.38457917       1.69293993       2.46619468      -0.61779377      -1.17137148 
O       9.00761553       3.77173787       6.25833160       0.92319846       0.05635201       0.24890177 
O       7.26625399       1.85420911       6.78299137      -0.58955444      -0.80200893      -0.73225658 
O       2.09117939       3.69532130       8.77421006      -1.41313735      -1.59060480       0.97326850 
O       7.05031944       9.22411332       6.87359010       1.89710745      -1.22353436       1.52888036 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00759886825955612 -0.0008207137421237798 0.0004140080696401584 -0.0008207137421237798 -0.011155465625928075 -0.006151353722212547 0.0004140080696401584 -0.006151353722212547 -0.0031462942503074133" pbc="T T T" energy=-1064.06377008 free_energy=-1064.06377323 config_type=crystal 
Hf       1.98457137       1.67830100       2.72153940       1.70246569      -1.89359088      -4.28973867 
Hf       3.30268751       7.27007588      10.59247865       0.94685451      -0.68859838       1.38441124 
Hf       5.29046549       5.54190635       2.15321655      -1.93395348      -0.72747472       1.24715532 
Hf       9.34226534       5.39508959       7.79979914       0.46885703      -1.78781671      -2.20163351 
Hf       0.15157812       7.03351984       5.12876832      -1.16799245      -0.68478854      -1.66935932 
Hf      10.83426931       0.11035968      10.50830547      -1.23107047      -0.71418080       0.68228396 
Hf       7.37521261       3.66275897       5.23691149      -0.55482187      -0.02703244      -0.79186720 
Hf       7.38903393       7.27972713       5.20668325      -0.62608577       1.50539073       1.94065437 
Hf       1.75865909       5.07277799       2.67357965      -0.38333177       2.32548618      -1.98176589 
Hf       0.03066847       3.36181792       5.06661865      -2.12714863       0.70215297       3.09738751 
Hf       0.28815847       3.40205241      10.58661899      -2.21396743       1.09531905       1.46673279 
Hf       1.85807559       5.79399942       7.93837632       1.90564198      -2.79600937      -3.19986293 
Hf       9.14131433       8.82889950       7.85754575      -4.63690492       1.21348436       0.24034677 
Hf       1.59734974       1.74965775       7.86729170       0.32947669       0.25472169      -2.08600350 
Hf       7.09359685       7.06448599       0.02295418      -0.31735533       1.46381805      -1.81290508 
Hf       8.91535878       9.03800375       2.58997566      -1.68362752       0.06291590       0.59000828 
Hf       5.49032024       9.44566259       2.48788411      -1.03482067      -2.18240687      -0.64854136 
Hf       5.12048709       8.91216390       8.08822067       2.39241590       4.55119823      -2.26673416 
Hf      10.61271916      10.55532582       5.21237200       1.58217153       1.55541757       2.52029631 
Hf       3.46980135       3.37001115       5.25552723      -0.31060464       2.90979570       0.57817372 
Hf      10.51924629       7.09627066      10.43159502       2.34995775      -0.40242587       0.39994234 
Hf       1.68044169       9.23051009       7.84641071       0.86032485      -1.77084142      -0.19126956 
Hf       7.14142669       3.54262939      10.59801200      -0.02007368      -1.53128294       2.89811683 
Hf       9.00041952       5.57780368       2.66847996      -0.05330337       0.02428629      -0.56717302 
Hf       3.80403988       7.20563904       5.02368928      -0.23302533      -3.08395033       0.04553245 
Hf       3.40417842      10.91366919       0.13390669       1.15867254      -1.67414191       1.21247815 
Hf       7.20864504       0.02777160       5.25679856      -1.84728695      -3.07785164       1.82887015 
Hf       5.47072105       1.87149022       2.84764111       1.95574640       1.10760710      -0.18484416 
Hf       5.15140383       1.75205164       7.74036932       3.32188303      -3.53936938      -1.56543812 
Hf       1.58516568       9.09753284       2.44841970       1.03998312      -2.14354575       0.93807258 
Hf       3.29280542      10.65944212       5.21839705       2.66734915       2.08294453       0.38441680 
Hf       3.44144394       3.34154034      10.31108810       1.98880077       4.07144955       0.93141905 
Hf       7.31643082      10.81472008      10.35467454      -0.57182885       1.14973907      -0.73515683 
Hf       9.15601006       1.85857354       2.62017849      -0.80238320       0.84499491      -2.57382692 
Hf       5.56745574       5.39367802       7.89750229      -2.57540783      -1.43430276      -0.32756365 
Hf       8.91750396       1.77277152       7.91603831       1.27991883      -0.73472188       0.11895330 
O      10.66834606       9.18396801       1.83378927       1.00679418       0.69460275      -1.94746978 
O       5.24465604       7.23678059       3.37326759      -0.66476884       0.67326492       1.79669341 
O      10.70882826       5.30381253       3.84197109       2.57348718      -0.79991603       1.05638578 
O      10.21498459       1.52370537       4.41459933       0.85963917       0.34275275      -1.31472431 
O       1.64295957      10.86283697       3.53450293       0.50603613       0.79409397       3.52395320 
O       1.60637354       0.10029210       1.37784917       2.52576259      -2.67870764      -5.32056881 
O       2.00603560       3.35782391       1.18784719       1.23352019      -1.30737269      -0.61563279 
O       0.25651951       1.62699131       9.23985634      -3.25366492      -0.39079498       4.75452099 
O       1.85077747      10.80148326       9.07775612      -1.23072280      -1.90079676      -0.22460833 
O       1.50812495       0.02625770       6.15915474       0.19646832      -1.52725359       0.80493154 
O      10.75920811       1.64412857       6.83301995      -1.36940921       0.07392048       0.24381269 
O       1.59989767       3.27991087       3.69925881      -2.09327087       1.14328674       2.21108501 
O       1.54123716       7.92725237       0.61210997      -0.82509334       0.17575288      -0.12360312 
O       2.38501745       7.43381549       8.76841162      -1.18067245       2.57928060      -0.81501859 
O       0.13368380       1.70122380       1.45637580      -2.98568306       0.99911359      -0.14623885 
O       3.44019276       5.42858669       6.49133873       1.02610877      -0.67049264       0.35082549 
O       3.44077946       1.58302061       6.82677743      -0.45788006       0.17097866      -0.47573104 
O       5.19542570       3.40085831       8.74020927      -0.93709521       1.27533339       0.11060464 
O       0.72929151       5.34379711       0.95181802      -2.37358429       1.37137813      -1.98084785 
O       1.72936834       7.19553991       6.28879581       1.75404858       1.46887831      -0.16857255 
O      10.88279595       9.01850218       6.91403515       0.62476440       1.40482106      -1.57869681 
O       3.56470453       1.78064483       4.00645009       0.05547012      -0.34774021       1.71834496 
O       5.21021706      10.94731003       3.87046000       0.79434515      -1.70599895      -2.73520998 
O       5.58141105      10.85671793       0.80838849       0.26665304      -0.80261658       1.19561207 
O       3.99145289       1.52035766       1.61783637      -3.36257034      -0.28397758      -1.50271798 
O       3.30095614       1.57769599       9.57829316       1.33956732      -0.37353632      -1.01578713 
O       5.77909969      10.94381408       8.70525400      -0.79756359      -0.52050541       0.79775963 
O      10.51353076       8.71861312       9.28456043       2.59421290       1.03014739       2.28488538 
O       3.41693296       4.99559439       3.73409642       1.33194917       0.30467035       3.01743294 
O       5.47773629       3.79892233       3.20966400       0.93370589      -0.78012832       0.89709389 
O       5.24917200       3.78513015       0.69825292      -0.57204701       0.00784379      -0.82923894 
O       9.10419705       7.37801954       6.33668370       0.01152786      -1.08303725      -0.23243821 
O       3.38107255       5.35789627       9.34869932       0.89511582      -0.25239879       0.82264271 
O       5.32057641       3.43318268       5.76534200      -0.13285401      -0.39177725       1.45847422 
O       0.13652261       5.93594568       8.81275581      -1.35538614       0.84440492       3.13548506 
O       8.79615037      10.68640943       6.52515862       1.68539732       0.05515854      -1.76977885 
O       1.64731677       3.19842671       6.42994287       0.08835477       1.64164047      -2.51407640 
O       7.33568128       2.36888967       1.74755300      -0.28010522      -1.51765215       0.78273797 
O       8.99761533       0.05786006       0.81496263       1.14724629       0.74113788       1.43442408 
O       7.48987964       8.98535315       4.26085977      -1.17872286       0.53611427       0.42646412 
O       6.92623091       1.73187868       4.53698812       0.91681807       3.72303051      -2.86112194 
O       3.54591564       9.11797696       6.77537187      -0.57822735       0.62199730       0.64016964 
O       8.80970481       6.88593222       8.97600757      -0.70643604       0.92163623       1.12146319 
O       7.53959183       1.83226643       9.59853206       0.57076170       0.87037188      -0.35837485 
O       7.60243271       8.99177151       9.92087668      -0.32951100      -1.90217855      -1.85292015 
O       5.56510031       7.20629235       8.72016563       0.49226895      -2.15358108       2.42125661 
O       9.46365738       7.40840984       3.73729755      -1.81798137      -0.76951387      -1.34144156 
O       5.52107571       7.07407512       6.06457035      -1.14761406      -0.39380015      -0.10424333 
O       7.19936695       8.76452763       1.67420908      -0.69019937       0.36184939       0.01431214 
O       8.88701615       7.16502920       0.99428768       2.40924150      -0.35103281       0.95841048 
O       6.94661225       4.99456398       9.42568878       0.07223988       3.72250641      -2.03334029 
O       3.72098310       9.14093942       9.72375496       1.58116497       1.16512952      -1.27060096 
O       9.20793196      10.90467465       9.01901580       0.30522705       0.60912058      -1.25625251 
O       7.07664386       4.95029681       6.79787165       2.05666518       1.14580090      -0.12965534 
O       5.43065233       0.16684082       6.16571858      -1.39924538      -0.72900700       0.45787383 
O      10.91948431       5.55594076       6.53751058       0.84815256      -1.18264751      -0.83495890 
O       0.35456486       8.93890037       4.28885688      -0.93614994       1.63471806       0.74965085 
O       1.59031281       6.97515592       3.30856600       0.24761413       1.48229097       1.04953100 
O       3.29212188       8.97705464       4.27801094      -0.02914530      -0.32872968      -1.01446623 
O       3.35465434       5.78068218       1.44862354       0.43657326      -0.06333672      -0.69531578 
O       5.28188749       7.31318204       0.95795467       1.23577838      -1.24489917      -2.84879944 
O       8.39316700      10.93061648       3.31407915       1.58008979       0.69603665       0.56791246 
O       9.80215275       3.78654589       8.83484914      -1.48449032      -1.66232982       0.40121050 
O       7.27553142       5.38795154       1.20441514      -0.59896829      -0.20252194       2.11488650 
O       9.60680092       3.81513130       1.09002298      -1.38596915       0.06907255      -0.69486640 
O       9.00647019       3.82628516       3.49506796      -1.19607006      -4.96545975       1.48094930 
O       7.43035745       5.63481903       4.07585607       0.25485304      -0.71471586      -0.15996136 
O       3.75394960       9.10896631       1.53778023      -2.06625375       1.24319905       1.18649817 
O       9.27726811       3.79901458       6.10249197      -1.68603821      -0.84243393       0.28540895 
O       7.16087962       1.92078477       6.91724372       1.54675026       0.71306912       0.67478583 
O       1.69820454       3.49350072       9.05560242       0.97516416       1.30235176      -0.35736129 
O       7.00220234       8.80819124       7.03070553       0.46187060       0.18561631       0.71809590 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013020863635860141 -0.004898703044412818 -0.0008189276905968444 -0.004898703044412818 -0.007981400579678213 -0.0011365595255601424 -0.0008189276905968444 -0.0011365595255601424 -0.01924837814360398" pbc="T T T" energy=-1061.77265739 free_energy=-1061.77265965 config_type=crystal 
Hf       1.94780830       1.55914617       2.70270949      -0.87962196       1.35484874      -0.11515135 
Hf       3.55238648       7.20430624      10.46863103      -2.75677276       1.08443009      -0.56453596 
Hf       5.33653711       5.55490772       2.60494193       2.15378056      -1.78664775      -0.68258109 
Hf       9.60124623       5.33092315       7.74155753      -0.65870663       3.08601614       0.56083678 
Hf      10.83363846       7.09741512       4.73194247      -0.60482573       1.79794220       1.63207526 
Hf      10.75693682      10.60800972      10.61863258       3.04017030       2.53221188      -2.32160481 
Hf       7.29061443       3.78404321       5.25722340      -0.05475605      -0.53056554       1.47102090 
Hf       7.38894355       7.41335242       5.24508232      -0.41801151      -3.08162218       0.26656179 
Hf       1.76786454       5.28682196       2.42974667       0.28580785      -1.23684158      -0.11815189 
Hf      10.78350654       3.57034205       5.23654054       3.59952327       0.38657249      -2.97063206 
Hf      10.95095553       3.62455376       0.00453072       0.03884162      -0.75909066      -0.78218279 
Hf       1.99144703       6.03642151       7.66380651      -3.11337914       0.13141344       2.58778804 
Hf       8.88102936       8.92328862       8.02580484       2.71538856       1.61935490      -2.12540168 
Hf       1.48470157       1.78100626       7.76378926       0.41815172      -1.82241227      -1.45719274 
Hf       6.99518567       7.08452134      10.38979489       3.75468340      -2.95214957       0.44139189 
Hf       9.05380537       9.15050938       2.34807195       1.11968302       0.24570448       0.56687044 
Hf       5.57916529       9.21314165       2.47759577       0.04028344      -0.21086731       0.93159523 
Hf       5.43380021       8.91187192       7.91331314      -0.84255177      -0.27112333      -0.89739546 
Hf      10.63994328      10.86152466       5.20638946       1.05327625      -1.06218669      -0.54347780 
Hf       3.57305410       3.63448329       5.53515942      -0.14242187      -1.04443230      -3.27772166 
Hf      10.66031509       7.12909812       0.01357100      -3.14157788       0.74347899      -0.17305943 
Hf       1.52358003       9.26006751       7.69233198       0.32899235       1.27907557      -1.73215477 
Hf       7.16644285       3.42063127       0.18594851      -0.65647479       1.22790959      -0.07645330 
Hf       8.99912035       5.36388132       2.58118229      -1.52032461      -0.00140556      -0.94239824 
Hf       3.64849098       7.17226991       5.29408329       0.93279474       4.95844311       0.33197343 
Hf       3.45976599      10.70527325       0.01956629       0.16535846       2.22461963       2.67608896 
Hf       6.92792197      10.80363535       5.19880514       2.32262685       2.07743278       1.54730206 
Hf       5.41389907       2.12049852       2.86237227      -1.26977436      -1.77945940       1.50579751 
Hf       5.36072818       1.54495881       7.71469157       2.29058644       1.46931154       0.20371668 
Hf       1.79838029       8.96483432       2.55468993      -0.35472667       1.88383165       0.10440160 
Hf       3.70111538      10.71612211       5.28903047      -3.35323115       1.73905787      -1.38847611 
Hf       3.53818871       3.57343547      10.24341644      -0.54027773      -1.15634688       2.16721347 
Hf       7.28676055      10.73114431      10.21503457       0.09697722       1.10882054      -1.66593033 
Hf       9.10668812       1.79828366       2.44720108       1.33632241       0.87692406       0.88710322 
Hf       5.45727037       5.18969122       7.88432180       2.63267332      -0.45260014      -1.03605533 
Hf       9.02695210       2.01804415       8.10740166      -1.37535314      -1.76599534      -1.21460366 
O      10.77748535       9.01698882       1.19918004      -1.22835331      -0.06445137       3.63765393 
O       5.43352971       7.29260010       3.42846069      -1.92317502      -1.46195566      -0.30325333 
O      10.41722895       5.23177935       3.93310637       3.14779911       1.69686863       2.82883276 
O       0.50248828       1.97629653       4.35140078      -1.55743649      -2.43444349      -1.06105923 
O       1.44279947      10.77835262       3.50325781       0.99384673      -0.65218954       0.49537452 
O       1.78235254      10.73536610       1.14227535      -0.69573344      -1.14304969      -2.05466920 
O       1.80160146       3.32471696       0.61881995       0.48844865       1.24819047       3.18165679 
O      10.36176946       1.46737028       9.45670027       0.63095175       2.67696383       1.07644221 
O       1.37135386      10.93758242       8.85255312       1.06852521      -0.84426120       0.89516474 
O       1.77998385      10.70999551       6.11514601       0.48997311      -0.11789022       0.50808625 
O      10.63992740       1.14201498       6.78587013      -0.13949153       2.68753439       1.60203541 
O       2.10909552       3.70998492       3.49149470      -0.27241889      -0.56488898      -1.43620751 
O       1.44071849       7.42859013       0.76012890       5.20327948      -0.23249341       0.50906899 
O       2.26579645       7.74651375       8.69283029      -0.88875927      -2.06306782       1.46266350 
O      10.92250214       1.59449001       1.54221539       0.67270519       0.39936471      -0.05162608 
O       3.54113686       5.21405637       7.02867975       1.50906140      -0.74610553      -0.61982442 
O       3.64577060       1.74596010       6.68168882       0.03150865      -0.83698603       2.62047338 
O       5.13287581       3.43816941       9.10942512      -0.94684620      -2.71269707      -2.54512846 
O      10.85762794       5.17591076       1.54119586       2.01892575       0.21656238      -0.95829017 
O       1.29916522       7.49520579       6.23918293       2.40747069      -0.84298116      -0.46106934 
O      10.70671112       9.19928154       6.97743713      -1.30812406       0.19897946      -0.51143883 
O       3.69679543       1.91963604       4.27138142      -0.00890949      -1.22419291      -0.52052086 
O       5.31349117      10.92205963       3.80518274       0.16208800       0.22658218      -1.16634808 
O       6.03425650      10.55464863       1.03308757      -1.24976961       0.94375295      -0.53097376 
O       3.78973419       1.36931473       1.73561462      -0.07581904      -0.73746537       0.69598808 
O       3.28936097       1.57150925       9.92160232       1.01984821       0.46995283      -2.46857703 
O       5.76733109      10.74088343       8.68443093      -0.32467226       2.24413569       1.98043303 
O      10.44927415       8.90588052       9.48591663       1.76009235       1.74549968       0.71457772 
O       2.87000221       5.61216564       4.73444358       0.15415839      -2.94829943      -1.58700495 
O       5.46518115       3.92499423       4.02173512      -0.44871329       1.36225203      -2.29861369 
O       5.24908632       3.44185523       1.35378544       0.07642378       1.47702780      -2.35724924 
O       9.40442300       6.64099244       6.28194371      -0.88124697       3.09756480      -2.75311778 
O       3.11093188       5.48370753       9.55997472       0.07603643      -1.03483187      -0.45004270 
O       5.54285733       3.53416501       6.31755905      -1.23129895      -0.48072042       2.41182883 
O      10.93297619       5.51741432       9.57748865       0.99823960      -1.94987538      -1.59216977 
O       8.81533269      10.19613084       5.95144856      -0.61702741       1.28733326      -2.05566747 
O       1.77765439       3.12035524       6.01383994      -1.59929630       0.03062225       2.54269163 
O       7.21080622       1.90274813       1.81889783      -0.19464962       0.66200822      -1.26727835 
O       9.02260092      10.89262381       0.82315111      -2.70521335      -0.65702648       0.11795880 
O       6.60540582       8.97041070       4.28155369       2.19928418       1.89744393       0.48839586 
O       7.04296611       1.89122768       4.52998988      -1.01260943      -1.47544273      -2.02391880 
O       3.69974303       8.82213253       6.97366926      -1.93654714      -0.13467039      -1.52300402 
O       9.13931169       7.17884275       9.07563192      -2.33514653      -2.54111316      -1.08083137 
O       7.32672168       1.83898684       9.47276569      -0.35343415       0.02629395       1.83349317 
O       6.97452419       8.72424396       9.30018230       2.29783755       2.16795050       1.82353456 
O       5.33358951       7.02562166       8.58520412      -0.50598486       0.23800923       1.58286894 
O       8.87727364       7.55055309       3.47643915       0.27462822      -1.89475270       2.82240359 
O       5.37522713       6.80793230       6.01202270       1.21698494       0.39431258      -0.36951681 
O       7.24828012       8.44204895       1.55195772       0.86139154       1.43418773      -0.22717508 
O       8.95962682       6.82635404       1.19322695       2.01883098       1.14569607      -2.71966867 
O       6.52969898       5.00767503       9.63258450       2.12989791       2.13117630       2.20980109 
O       3.99573274       9.08884200       9.74393178       0.57584340      -0.25509509      -1.42589325 
O       8.78462598      10.87719305       8.55949799      -1.33796838      -1.97309162       1.31516019 
O       7.17028173       5.41999883       6.89259061       1.67169598      -0.91950887       0.27026236 
O       5.23089991      10.59030636       6.43440917       2.72079735       1.13327340      -0.33717003 
O       0.42299955       5.20792737       6.82363210      -0.23249798      -1.39350402      -0.60738808 
O      10.74320917       9.06057935       3.98249317       0.87469387      -1.65348915       0.09047064 
O       1.47139146       7.03528935       3.27883955      -0.83877689       1.83993293       1.06919499 
O       3.31721451       9.01179294       4.33674350      -0.40363365      -1.18618330      -1.58435914 
O       3.64772197       5.65526666       1.58602611      -1.98747688      -0.08673641      -0.13962235 
O       5.33490850       7.13511472       0.53693021      -1.33594361      -0.05549078       2.45467343 
O       9.21655455       0.09116575       3.40899697      -0.65670759      -1.90397103       0.99551358 
O       8.80175634       4.01810248       8.80956424      -0.53855619      -4.11514943       3.45692394 
O       7.14126608       5.43400629       1.61230695      -1.61844889      -1.64591109       0.21328291 
O       9.23843730       3.51987718       1.20179403      -3.10195251       0.38474659      -1.77061836 
O       9.16103393       3.28432953       3.87884969      -1.44209742      -0.54158216      -0.69575483 
O       7.65061665       5.52522529       4.37952214      -0.14671216      -0.22976393      -1.63933351 
O       3.82266574       9.20207226       1.58965177      -2.80445430      -1.05518587       0.71373764 
O       9.36244016       3.55526265       6.45895398      -2.88906468      -0.31647137       1.90973680 
O       7.25901678       1.52625034       6.82527683      -0.65205248      -0.13586560       1.62581470 
O       1.37085109       3.26477943       8.95986797       0.02390601       0.72497071      -1.06072144 
O       7.25690918       8.69736659       6.80811684      -1.90438058      -0.84465178       0.35939464 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02659203912782498 0.0002793887229339853 0.0019305261853437726 0.0002793887229339853 -0.012018842897847883 0.0007915114997538729 0.0019305261853437726 0.0007915114997538729 -0.03929918713241531" pbc="T T T" energy=-1058.60693874 free_energy=-1058.60695592 config_type=crystal 
Hf       1.84235373       1.60707264       2.67249539       0.02219055       0.15503828       0.29430564 
Hf       3.53730313       7.16567889      10.40551295       2.87611761       3.36836054       0.08815873 
Hf       5.29938302       5.44025285       2.81386948       1.43513798       3.20632345      -5.16422900 
Hf       9.50623404       5.33102975       7.71022526      -2.22620978       1.60858618       2.63581976 
Hf      10.69731777       7.24414642       4.66422373       1.39165404       0.24235648       1.56171642 
Hf      10.78633703      10.51708555      10.58606320       1.83191463       5.47381551       0.43452388 
Hf       7.20244219       3.78330215       5.36243275      -0.76604154      -1.53099199      -2.22761198 
Hf       7.33977149       7.24714782       5.30650136       2.64135399       1.42677151      -3.11130154 
Hf       1.77831766       5.34847335       2.37150517       1.52245679      -1.26711426       2.70262154 
Hf      10.83184442       3.62300392       5.20174098       0.31679556      -3.67182785       1.65219914 
Hf      10.79025369       3.69886798       0.00022895       2.51924652      -3.66471216      -0.37635173 
Hf       1.99473701       5.93833025       7.62926683      -3.42770974      -1.19476620       1.89183988 
Hf       8.85697009       9.01807412       7.98931867       0.10652282      -1.71701181      -0.58225047 
Hf       1.53917294       1.74846738       7.73480238       1.65718557      -0.74360755       1.76243751 
Hf       7.09912481       7.04585257      10.33800402       0.20155487       1.49566729       1.96492443 
Hf       9.11238907       9.22574993       2.36787409      -1.88267904      -1.19325437       1.86202964 
Hf       5.50800476       9.09064042       2.45497620       0.79919745      -0.31568464      -0.19573220 
Hf       5.53951969       8.99788934       7.83389835      -3.27007820      -0.62602063       2.32821597 
Hf      10.67775803      10.93014132       5.17380935       1.01161709      -1.19626429      -2.03489487 
Hf       3.55846399       3.76064174       5.50875943      -0.30163658      -6.24464379      -1.15199313 
Hf      10.82374454       7.21864458       0.05199197       1.19432716      -1.32653962      -1.02792429 
Hf       1.40211996       9.34494584       7.54591740       3.22922085      -0.87716949       0.59563470 
Hf       7.16841997       3.44270344       0.27492780      -0.76030376       0.28231941      -1.85795680 
Hf       8.95801377       5.21154022       2.52427398      -0.28296692       0.81846345       0.59687929 
Hf       3.67809770       7.21367592       5.37101067      -1.38305348       2.54151171      -3.37949497 
Hf       3.59613269      10.74271955      10.62600783       1.05452370      -0.30165504       0.52813420 
Hf       6.92667101      10.91585327       5.16749062       4.41401038       0.67488530      -2.76346644 
Hf       5.39806656       2.08962287       2.84628762      -1.17187106      -1.01966169      -0.43947486 
Hf       5.49910115       1.51226358       7.80813876       0.67194697       1.67802767      -2.02003840 
Hf       1.85846201       8.89722714       2.55855899      -2.81136547       1.15768042       3.07029878 
Hf       3.78745710      10.79812174       5.26339311      -3.21469390       1.50093483      -1.99423138 
Hf       3.56649255       3.63781074      10.23877221      -0.10486002      -5.70253829       3.40373533 
Hf       7.16418340      10.74060800      10.14529015       0.08136731       2.44917402       5.51592353 
Hf       9.08493640       1.75042840       2.38134157       1.11425773      -2.63956271       0.04807360 
Hf       5.52825397       5.03883257       7.83430056       3.93888675      -0.15085862       3.39907012 
Hf       8.95161514       2.01974791       8.20562510      -0.66486400      -2.77274898       1.88338325 
O      10.87344895       8.80104004       1.57164582       1.19614784       0.01287109      -2.31885345 
O       5.01926987       7.24541776       3.56828752       0.16253954      -0.69403205      -0.16367059 
O      10.49341982       5.26536288       4.35223729       0.45812281       0.09369774      -1.85533512 
O       0.18681426       1.74328903       4.33332139      -0.13779727       1.51914452       0.54762998 
O       1.48188380      10.71373457       3.51112519       1.55887074       2.35205685      -0.85663712 
O       1.82214035      10.83597001       0.80382344      -1.36856995      -1.22947447       1.32023674 
O       2.06436129       3.48427018       1.01568301      -0.83414860       0.45207873      -2.60392816 
O      10.48127192       1.45360680       9.75313362      -0.97194130      -0.19237123      -0.12957381 
O       1.59745065      10.54762562       9.06624226      -0.67423467       0.19618468      -1.76919478 
O       1.65444343       0.04826710       6.12886433       0.67268870      -1.59452176       1.85971858 
O      10.56454464       1.65718243       7.17529639       0.14632080      -0.42882069      -2.53235762 
O       2.37160949       3.62231863       3.28300219      -1.48603902      -0.61285531       2.45006884 
O       2.10555695       7.07609354       0.99985674      -5.13099943       0.57237214      -0.38191042 
O       1.59711605       7.36681495       8.99514562       0.52773061       0.93623735      -0.91921158 
O       0.09760437       1.49951124       1.65585907      -2.29647365       1.02596375      -0.09025735 
O       3.75826243       5.20519045       7.11745901      -0.75754947       0.32977338      -0.56986728 
O       3.76004847       1.72615527       7.01270585      -2.99050253      -1.26732789       0.09821210 
O       5.23242148       3.01299762       8.89884359      -0.95199978       6.41977435       2.78211349 
O      10.93255887       5.17128251       1.67177121      -2.30587498       0.01165571      -1.09057522 
O       1.65237735       7.21538035       6.17384328      -1.37848395       0.61809540       1.33896909 
O      10.52791424       9.56876432       7.05270320       0.79738655      -0.50278961      -0.90096260 
O       3.74158509       1.83078354       4.51301303       0.57802937      -0.45966073       0.47062311 
O       5.23209050      10.78189820       3.67440693       0.42562225       0.87515478       1.22479257 
O       5.60084733      10.58769313       0.97646699      -0.84534158       0.29850579      -1.09934736 
O       3.76756056       1.39317581       2.14975118      -0.80762125      -0.97419671      -2.55834197 
O       3.55048550       1.51310259       9.77514947      -0.55559764       0.71236387      -0.07865820 
O       5.76823540      10.90780280       8.82288312      -1.55560783      -3.72266471       0.07899955 
O      10.40129257       8.88039040       9.61146638      -0.32210567      -1.37035677      -0.88959516 
O       2.75869188       5.36429743       4.96168990       0.56998110       2.45550661      -0.68986371 
O       5.32437990       4.11135513       4.08106046      -0.77474555      -3.31778545       2.25533724 
O       5.27960623       3.57416295       1.03806874      -1.98701393      -0.53664284       0.72521210 
O       9.15923386       7.02064380       6.09033091       1.93321194      -0.46722524       2.38116738 
O       3.12754808       5.35739120       9.59487589       0.56500440       1.76112330      -1.58082741 
O       5.55628982       3.31099567       6.58450001       0.82931212       2.07432066      -2.45669098 
O      10.89147924       5.35116348       9.71285067      -0.10370163       2.68944226      -1.28881484 
O       8.81094974      10.42255324       5.54268730       0.65505654       0.37239224       2.33996636 
O       1.68305426       3.00836816       6.26952362       0.66882434       1.93010410      -2.29099493 
O       7.13953065       1.86026350       1.64328209      -0.04236614       0.11581050       0.35845326 
O       8.81658835      10.67681220       0.80993012       2.21759710       0.20298567       0.46931690 
O       7.09629783       9.05687863       4.28758395      -0.87685311      -1.18194484      -1.13635915 
O       6.90831785       1.89579962       4.21383134       0.10774601      -0.21549444       1.57779544 
O       3.47854819       8.70528361       6.82145475       1.94108843       0.76283482       0.57521431 
O       8.77897958       6.83806272       8.84950759      -0.13236910       1.26030344      -1.13240838 
O       7.33790743       1.89455786       9.58926357      -0.09723516      -1.70170541      -0.35836511 
O       7.27071768       8.93418118       9.46317302      -1.04852473      -2.74299815      -1.30079658 
O       5.46855582       7.04366981       8.83572465      -0.48247656       0.57794334      -1.72623971 
O       9.07581553       7.29219889       3.53021328       0.15490892       0.33648249      -1.72144956 
O       5.59611532       6.93364758       5.85722280      -3.90072381      -0.41535687       3.03021831 
O       7.42077905       8.73763504       1.60983720      -1.18226778      -0.67101989       0.01548444 
O       9.05125426       6.88051273       0.70603494      -0.95725940      -0.95543469       1.40401231 
O       6.64544726       5.24976165       9.79321792      -0.45925695      -2.64108232      -1.41339992 
O       3.99543572       9.11859619       9.32478099      -0.80389134      -0.32555222       1.57284751 
O       8.66769577      10.71812881       8.85171588       1.82058224       2.08004447      -1.98308600 
O       7.17579501       5.28396080       6.71238941      -1.21169004       1.67612986       1.68951059 
O       5.47075929      10.79075164       6.37182318      -3.31928810      -2.20264371       1.26095803 
O       0.31955343       4.86058349       7.10266152       0.34430034       1.41111921      -1.10419348 
O       0.31208549       8.96342855       4.06854385      -3.15977151       1.28934051       2.24188146 
O       1.55457029       7.04965945       3.54209161      -0.35754372      -1.07439945      -1.10636045 
O       3.22701607       9.02394950       4.31485658       0.81955905      -0.33864581       1.08854804 
O       3.59173758       5.59078260       1.84548872       3.74422369      -0.28770960      -1.07510291 
O       5.33123507       7.90275858       0.81642816       0.44699452      -4.43117677      -2.76838833 
O       9.17055436      10.86341008       3.39565078       0.61700955       2.17849820      -0.98552969 
O       9.02343939       3.64103136       9.45009892       0.30542887       1.69877619      -3.33402663 
O       7.08152586       5.10357848       1.59176258       0.78863770       1.66652306       1.74662864 
O       9.02967346       3.46471394       1.15061455       0.70564754       0.90497932       1.02048922 
O       9.16759131       3.14491969       3.72436727      -0.36570083       2.66331598       1.15819882 
O       7.56367268       5.43638550       4.08869378      -0.83554306      -0.68367311       0.88535247 
O       3.51812345       8.88693300       1.79759115       3.44415303       1.96985504      -2.12875335 
O       8.86993421       3.96572711       6.40359485       3.82949561      -3.41254728      -0.19081222 
O       7.39916823       1.18977701       6.86306441       0.71614343       2.53395498       0.83028769 
O       1.21260022       3.22753144       8.97419926       1.37674683       0.23793043       0.71667543 
O       7.20047778       8.83146693       6.76652705       0.49102886      -0.62379007       1.13497408 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010428343781260101 -0.00012095828105595087 -0.012660985397397207 -0.00012095828105595087 -0.02404926022498106 0.012125000270132516 -0.012660985397397207 0.012125000270132516 -0.04022337701933342" pbc="T T T" energy=-1059.15854972 free_energy=-1059.15859634 config_type=crystal 
Hf       1.77115649       1.64323413       2.65803984       0.57019129       3.46660947      -3.30084989 
Hf       3.55808469       7.19030601      10.36989825       1.13717427       3.18065722       0.74956987 
Hf       5.31207741       5.39950486       2.87394555       1.39594972       0.57110561      -0.71543886 
Hf       9.41972470       5.35605106       7.72940359       0.07213702      -1.03570973       1.26781207 
Hf      10.64022540       7.32480132       4.65963009       2.33364981      -1.45700651       2.13242459 
Hf      10.83559301      10.54060523      10.56407010       1.12990012       2.19501150      -1.46067019 
Hf       7.15319322       3.76889150       5.39945515       2.41122826      -0.32710985      -2.14939481 
Hf       7.33638290       7.15595292       5.31059831      -0.21081212       1.54493321       0.04262333 
Hf       1.80780880       5.36862746       2.36856859       0.53108711      -2.30165543       0.34126905 
Hf      10.86690318       3.61504691       5.20345650      -0.53873013      -3.54777826       2.80794887 
Hf      10.74905639       3.69781051      10.61394477       3.82399016      -0.42472607      -0.96922070 
Hf       1.94247590       5.86286182       7.63730543      -2.33563425      -2.44499195       4.09855077 
Hf       8.85186898       9.05439250       7.95857174       2.20904312      -2.98951660      -0.00083850 
Hf       1.58822712       1.71669816       7.73295782      -0.78825609       1.65765526       2.21005685 
Hf       7.16141405       7.03135976      10.33255549       0.34899341      -0.93648908       0.66311818 
Hf       9.12217124       9.25095442       2.40431806      -2.02991773      -1.28318400       0.84849823 
Hf       5.47820532       9.00994236       2.43875560       0.61009644       0.46264328      -0.25212107 
Hf       5.53534885       9.02889668       7.82008491      -3.29661661      -3.91197257       0.88887774 
Hf      10.71895149      10.95305744       5.13411226      -1.19492518      -0.08618776       2.00478885 
Hf       3.54161377       3.75418679       5.46939408      -2.64042045      -2.76583844       0.76309273 
Hf      10.92370040       7.25592982       0.06348989       1.29483609      -3.57523039      -0.91132795 
Hf       1.37953920       9.36921776       7.45997566       3.85317845      -3.31271867       3.31675068 
Hf       7.14966527       3.46742741       0.29529041      -2.74908727       0.48738183      -1.69356129 
Hf       8.93094215       5.14087785       2.50065124       1.34884394       0.69536453       1.75211514 
Hf       3.66519340       7.27959259       5.37008021      -0.19647209       0.23827212       0.12790480 
Hf       3.67760446      10.76359993      10.62162082      -6.02081985       0.00142828      -2.03237434 
Hf       6.98685725       0.03784400       5.12500140       0.70978553      -2.39931533      -0.27652996 
Hf       5.36296419       2.05949781       2.83667932      -2.48915626      -1.74814763      -1.67065517 
Hf       5.59008985       1.52513469       7.84766280      -4.00945256       1.59339027       1.47232957 
Hf       1.86335364       8.87526014       2.60136027       2.11233510       1.32544550       0.97861123 
Hf       3.78060752      10.87211407       5.22470376      -3.17822228      -2.11667355      -0.44387372 
Hf       3.58334441       3.60487667      10.28066779      -2.81699342      -2.32594914       0.29034947 
Hf       7.10631852      10.77158543      10.15736417       1.40526047      -2.25186471       5.13974432 
Hf       9.09228141       1.69306903       2.34887359      -2.66378829       1.87937380       1.97333193 
Hf       5.61812395       4.95445165       7.85896387      -0.51800811       4.93817667       1.92388278 
Hf       8.90528506       1.97674605       8.28094846       4.59981064      -1.42565371       0.53133369 
O       0.11962572       8.70527879       1.58062775      -2.71068856       1.39708388       0.05634212 
O       4.79952658       7.21087590       3.62346787       2.88207722      -1.07698021      -1.34975815 
O      10.64089876       5.25776249       4.32482605       0.57415508       2.14312341      -0.90910201 
O      10.93924335       1.66398720       4.28690816       0.91476661       3.78206858      -0.46737375 
O       1.72173529       0.01746058       3.41848293       0.89771788      -4.85420332       2.53669402 
O       1.69305303      10.63612632       0.70899288      -0.12006099       0.16018019       2.50828463 
O       1.98924696       3.69536918       1.02063431      -0.65035879      -0.20522028      -1.17098963 
O      10.42631246       1.54093795       9.92309016      -0.55203572      -0.79645811      -0.92095181 
O       1.67052081      10.46755150       9.05090142      -2.23085838       1.17043156      -2.00283301 
O       1.68955062      10.95232711       6.41575103       0.27854762       0.80823968      -3.17262246 
O      10.55686251       1.93736832       7.03725215      -0.19558611      -1.57243213       0.00679421 
O       2.29345421       3.39920757       3.45502554      -0.67207719       1.71355641       1.75540582 
O       1.87809812       6.95410692       1.04403193       0.26568261       0.78275341      -1.22583809 
O       1.27711671       7.36085959       9.08688537       3.35321653       0.36702902      -2.34761366 
O      10.81631199       1.63105292       1.72956799       3.44540141       0.66560640      -1.48981837 
O       3.77689979       5.18715008       7.01328322       0.83521758      -0.44753518       1.49056190 
O       3.47105067       1.53964153       7.31736764       3.57427463      -0.11552154      -2.02164333 
O       5.16290851       3.42619615       8.96200164       0.79249147      -1.77290669      -0.40108787 
O      10.80165768       5.19919566       1.57871750       0.85063833      -0.44895157       0.46009933 
O       1.71729000       7.16268506       6.32165493      -2.03320573       2.94739089      -0.97770082 
O      10.54827454       9.69078392       6.94277245      -1.25620595      -0.80465413       0.20592479 
O       3.87749898       1.69606341       4.65971310       0.25955141       1.59466689      -0.47455724 
O       5.31584605      10.82756884       3.67509941      -0.01828805      -1.20001674       0.56679160 
O       5.18569852      10.63240972       0.93109137       8.47611864      -0.87943583       1.87113573 
O       3.78501599       1.25350554       2.00933581      -2.03224989       1.14478837      -0.31684126 
O       3.66528630       1.50583668       9.61949181       0.09990870       2.04571286       1.71039933 
O       5.54994104      10.76391634       8.95864850       0.64313251      -0.12081766      -1.26344552 
O      10.37550598       8.74592478       9.60120908      -1.55201341       2.88827114      -0.87239774 
O       2.87569757       5.49914672       5.02841515      -0.39290018      -0.94152421      -3.50977499 
O       5.12579845       3.82415422       4.23937527       2.16157451       1.31187601      -3.66589789 
O       5.08190499       3.55614592       0.93879601       1.53523033      -0.96735778       2.02536445 
O       9.18149842       7.24397671       6.26832754       2.29982475      -1.15730773      -1.80922799 
O       3.22303707       5.48127562       9.40407004       0.86697798      -0.46324298       0.86195147 
O       5.49164033       3.33706777       6.56317186       1.59124925      -0.54643736      -0.58737469 
O      10.87434548       5.45870396       9.56803501      -0.90564978      -0.49475722       0.09415280 
O       8.77739798      10.61857766       5.57271295       1.31277382       0.70923217       0.89232087 
O       1.70143744       3.19132481       6.23751471       1.04958301      -0.68083433      -1.10139150 
O       7.10276987       1.86597432       1.55323044      -1.32304134      -1.37954092       1.55690826 
O       8.88556010      10.57214624       0.88077666       1.35574572       1.06393825      -1.10776252 
O       7.29334850       9.01798593       4.10901250      -0.90616032      -0.70964276       0.66352408 
O       6.80732632       1.74596558       4.14161334       2.18063328       1.68840465       2.51367806 
O       3.56179133       8.75646303       6.75988255       1.13784772       1.58815027       1.91553332 
O       8.48739923       6.77786487       8.55203898      -0.29648747       2.22740498       1.47930475 
O       7.25852168       1.68815121       9.70244541      -0.61925148       2.44085095      -1.90590018 
O       7.43137833       8.80530477       9.55322095      -0.84380462       2.86569797      -1.83748492 
O       5.46654353       7.12818472       8.76126914      -0.10139323      -0.46580660      -0.04883996 
O       9.19931671       7.13284058       3.44285470      -0.90916745       1.44936189      -1.30939674 
O       5.48409592       6.97768894       6.17707311       1.18370943       0.73496880      -0.76902272 
O       7.34984246       8.91025953       1.65518870      -0.27883817      -0.53155618      -0.59727699 
O       9.06870301       6.75928985       0.53105960      -2.29371596       0.11574787       1.49439221 
O       6.75871236       5.11182594       9.84944735      -0.28890158       0.28041395      -1.84256132 
O       3.79578859       9.12748217       9.41063291       0.50571537      -2.45515994       0.40170081 
O       8.75437526      10.80879420       8.78431547      -0.49845652       1.32709884       0.18319408 
O       7.29733649       5.43421007       6.72976049      -0.52811072      -1.69995094      -0.14154841 
O       5.31095705      10.65153013       6.49415468       1.95824776       1.44997105      -0.90750163 
O       0.28630438       4.83134642       7.10408507      -0.71979084       1.72757780      -1.43766198 
O       0.20872988       9.26997470       4.29707405      -0.59763479      -3.15897998      -1.35501866 
O       1.54379813       7.00540236       3.52054184      -1.53947707       1.68697280       0.30863681 
O       3.25040515       8.86248337       4.33123683      -1.01082409       3.59394068      -1.46840656 
O       3.79689427       5.54129172       1.75725324      -1.22913503       0.38646342      -0.68252219 
O       5.46754633       7.74786145       0.70960256      -0.44655083      -2.52231455      -0.23098409 
O       9.20581099       0.04037428       3.29073298       0.21598934      -1.83660612       1.36698041 
O       9.20594849       3.65465855       9.40255774      -3.21950380       0.70696994      -3.02545476 
O       7.08227667       5.05969937       1.77456544      -2.20782234       0.86069904      -0.99299878 
O       8.79390352       3.50362001       1.27049904       3.90488885       0.48518752      -0.99020775 
O       9.07507743       3.41395095       3.73749164      -0.46254437      -0.80667915      -0.34265810 
O       7.39925588       5.35481917       4.01825338      -1.28259304       0.73764856       3.14400712 
O       3.65096736       8.98059398       1.64144263      -3.00359782      -0.52128496       0.10635701 
O       8.96575670       3.71231745       6.35919986      -0.23022819      -0.12958448       0.22584808 
O       7.51109561       1.33147731       7.04979054      -3.32199884       0.78829856      -1.57589011 
O       1.31282878       3.27358936       9.05941908       1.17783002      -0.80361183       0.42982445 
O       7.39984060       8.76409367       6.68470427      -3.36860043       0.98455566       1.29709180 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009940550325873286 0.0013450917470783758 -0.0002771827863636244 0.0013450917470783758 -0.011024085223001651 -0.001464175315970258 -0.0002771827863636244 -0.001464175315970258 0.002313404996603481" pbc="T T T" energy=-1060.33310727 free_energy=-1060.33313246 config_type=crystal 
Hf       1.80492540       1.65197647       2.45934674      -2.64448459      -1.64935545       0.33029097 
Hf       3.70435463       7.11727857      10.47303388      -0.66358469       2.54622095      -0.25871803 
Hf       5.54007155       5.51837932       2.64589589       0.92277485      -1.48605390       0.83064321 
Hf       9.00467899       5.23502112       7.65785629       0.79315550       0.47282212       2.74564446 
Hf      10.94791754       7.19049741       5.24173440      -0.04229116       0.86787759      -0.07536082 
Hf      10.90898813       0.16781360      10.05635465      -0.93252858      -2.77915881       3.26808151 
Hf       7.15665400       3.47079802       5.31159839      -1.80021558      -1.03391283      -0.12419070 
Hf       7.25258145       7.03301477       5.09082279      -4.74453342       3.06492276       0.87044541 
Hf       2.13568200       5.46995150       2.45333465      -3.21371279      -2.13391348      -0.51287499 
Hf       0.27217991       3.52998814       5.07257004      -1.02143959       0.12875378       1.11192999 
Hf      10.75615949       3.63534290       0.11315803       2.20364082      -1.22502411      -1.82682878 
Hf       1.74428822       5.19286703       7.62974216       0.63159972       0.19344702       1.80862582 
Hf       8.90170015       9.40162090       7.82236132      -1.12696969      -4.86585114      -1.13199290 
Hf       1.81318415       1.69986197       8.20912671       1.15698978       2.49018254      -3.77560567 
Hf       7.17580793       7.12783303      10.49607883       4.15841917       1.72940350      -3.80220943 
Hf       9.05773572       9.23196625       2.55770516       0.40018009       0.13672218      -0.69408650 
Hf       5.64418696       9.23988536       2.45065434      -1.58129962       1.17915603       1.15788362 
Hf       5.48079170       8.82088223       7.99517036       0.27623751       1.28231850      -0.88177815 
Hf      10.78164315       0.12490684       4.99216250      -1.42733206      -2.39325387       2.00467591 
Hf       3.65422228       3.67741032       5.42249595       0.02003832      -2.25933758      -3.53804500 
Hf      10.93651990       6.82215001      10.39570589       0.45475731       4.15572312       1.49586549 
Hf       1.61389703       8.77760976       7.81928996       0.43035503       2.31237756       1.51928701 
Hf       7.07988914       3.49507608       0.00227971       1.04566551       0.41947219      -0.12760655 
Hf       8.98696303       5.43467877       2.40432434       1.82852713       0.75671752      -1.99873624 
Hf       3.57689910       7.32844276       5.01143267       2.44399068      -0.88435329       3.42779716 
Hf       3.71479066      10.91952627       0.07190040      -1.25707271      -3.17841333      -3.05080037 
Hf       7.10801385      10.86192905       5.20801623      -1.17490209       0.44886027       1.29413672 
Hf       4.92389877       1.76467624       2.55240841       3.06751740       0.33189272       1.80109092 
Hf       5.22879954       1.41737104       7.80149117       1.60576726      -1.22704601       1.25555836 
Hf       1.66361535       8.91173672       2.79418702      -0.17338883       2.98098831      -3.01905647 
Hf       3.23118997      10.73061021       5.66004645       1.39959024      -1.02010475      -1.10385781 
Hf       3.66833284       3.74865259      10.49282816       0.13843904      -1.67517922      -0.17804721 
Hf       7.25901952       0.19515517      10.61646713      -2.81410396      -1.58974652      -1.22565971 
Hf       8.90695848       2.06257042       2.77477124       0.16699331      -2.30847066      -2.80139269 
Hf       5.41757667       5.05684950       8.05247927       0.25495746       0.88730226      -0.64101345 
Hf       9.12721506       1.89831446       7.67756575      -4.53791558       0.11937096       2.44865241 
O      10.79508912       8.54348245       1.74191421       1.34581954       0.74366454       1.30903841 
O       5.61243724       7.44246361       3.48266211      -0.52312469      -1.60039797      -0.86524038 
O       0.15870478       5.28303513       4.25260242      -0.63088801       2.23806468      -0.86965060 
O      10.79624432       1.83554436       4.07075681      -0.47549020       1.06317421       0.11120811 
O       1.56914034      10.68188526       4.00637324       0.47134325      -0.07708599      -1.63909031 
O       1.17867770       0.22444998       1.06081470       0.94962231      -0.90708462      -0.14314441 
O       1.86182802       3.91917287       0.49967046       0.17548733      -0.42818436       2.35357633 
O       0.03426993       2.08957368       9.25279758      -0.51825990      -2.55404306       1.36222471 
O       1.73286341      10.93275991       9.00085541      -0.64099663      -1.44938965       1.67275453 
O       1.40195660      10.46039285       6.58598467       0.46800488       1.38449282      -2.00364346 
O      10.71414663       1.89513021       6.83040150       4.89735014      -0.66746272      -3.30552355 
O       1.50428608       3.36191368       3.37129453       1.50149680       2.83172211       0.08617431 
O       1.89232580       6.88081161       0.98113429       0.46892461       0.39746018      -1.03217908 
O       1.39365776       7.04785686       8.52159200       0.32324034      -4.12170422       2.83761066 
O      10.78898465       2.14770884       1.52304472       0.15722732       0.15854837       0.86862329 
O       3.76744991       5.17861832       6.66201922      -1.45144302       1.60645139       1.60943631 
O       3.59274225       1.40013933       6.78087514      -4.36709703       0.03306712      -0.10017725 
O       5.38612364       3.50645082       9.34482782       0.81366218       0.98503468      -1.65215530 
O       0.14148425       5.10064545       1.53294403      -2.52032208       2.38860974       0.69873888 
O       1.86699410       7.20212622       6.17024238       0.00046923      -0.02987092      -0.41328833 
O      10.64094620       8.48215755       7.02524722      -0.02426592      -0.02701966      -1.05976642 
O       3.35537842       1.66088468       4.05376072      -1.06240790      -0.33420505      -1.02580486 
O       5.31281529       0.13238387       3.61775149       1.89543507      -1.77922188       1.10711001 
O       5.34603093      10.93894085       1.18459642       0.28707764      -0.01205886      -0.85941823 
O       3.41721518       1.64027951       1.13492689      -0.44131482       2.09651756       2.67459290 
O       3.65821881       1.91939687       9.35677662      -1.12872020      -1.38131654      -0.13992369 
O       5.12747713      10.77332930       9.18620190      -1.49337789       1.29029071      -0.57266119 
O      10.92914246       8.91363551       9.57664981      -0.00819452       0.95766702      -0.01160434 
O       3.53640222       5.37259145       4.02615976       0.43573508       0.65544150      -0.08188237 
O       5.21657461       3.30079728       3.98908719       0.35004292       0.36432718      -1.35797217 
O       5.54023676       3.55082492       1.30421646      -1.68449156      -0.14957153       0.36758866 
O       9.04658547       7.03777285       5.54213821       1.49445762      -1.74260358       5.43739791 
O       3.62352893       5.45022610       9.39210221      -0.95399691      -1.08794328      -0.27953002 
O       5.07926317       3.12281311       6.54788246       3.56072979       1.48165906       1.46137957 
O      10.74686563       5.21583848       9.31386267      -0.02853904       1.20463250       0.29957629 
O       9.10692860      10.92566558       6.28156681      -0.62707322      -0.73734752      -0.86435099 
O       1.82321842       3.27355891       6.33666521       0.88073564       0.90376340      -1.62681148 
O       7.11939341       1.69442735       1.38176819       0.87307116       1.56666720       2.98674235 
O       8.92365959       0.02623206       0.72293898       5.43955791      -1.11957996       2.12070066 
O       7.42522763       9.31198033       3.99033238      -0.89315719      -0.97681774      -0.11786817 
O       7.39550597       1.77352507       4.17860906       0.38428358      -0.47504121       0.26225201 
O       3.65150289       8.89758004       7.12131212      -3.85411700       0.46902765      -1.01880904 
O       8.29673711       7.50890375       8.55469421       1.00535650      -0.93599060      -0.16919862 
O       7.27899297       1.86981812       9.54864952      -0.13884983      -0.86101577      -2.14429130 
O       6.92892499       9.44418868       9.53596062       0.99106935      -2.32329373      -1.15543392 
O       5.33003988       6.90988478       8.73465955       0.42200762       1.71997716       1.83795914 
O       8.59626013       6.99152933       3.52468003      -0.40255412      -0.56302992      -4.63950786 
O       5.39817590       7.40474856       6.28411947       0.18949126      -0.86849203      -2.29806346 
O       7.24017246       9.12206190       1.36884184       1.62943642      -0.24879409       1.22260184 
O       9.07665345       7.04522797       0.72954299       0.98775431      -1.06443976      -0.34273357 
O       7.34371806       5.32154733       9.62640278      -0.93333231      -0.78444992      -1.98750093 
O       3.20561056       8.94734044       9.75754221       0.56099579      -1.41551366      -0.16218162 
O       9.08844298       0.01813842       8.83547041       1.27384629       2.86278575       1.12341127 
O       7.14915286       5.15510192       7.02824099      -1.49393975       0.18721371      -1.47162510 
O       5.12102372      10.59392502       6.56770619       0.76709884       2.06352434      -1.57225844 
O       0.01020343       5.04860587       6.70369191      -0.87517894       1.11037820       0.05946434 
O      10.27685980       9.07457597       4.29856615       2.30969826      -1.41284410       0.57055905 
O       1.79504024       7.17436623       3.66760554      -0.24840021      -0.19018086      -0.18157780 
O       3.62277253       9.03478082       4.14940100      -0.87697959       0.80026994       1.16706644 
O       3.97946768       5.31111372       1.45642384      -1.93228564       1.49376335      -0.38331406 
O       5.48554288       7.58963117       0.64463822      -3.48212019      -0.06898962       2.19763963 
O       9.30508572       0.14009174       3.53075461      -1.06452934      -0.24326644      -1.56243322 
O       9.05036244       3.62159115       8.79803921      -0.31249782      -0.77067375       0.01156689 
O       7.20183457       5.54598516       1.20407874      -1.29819277      -0.81269790       5.50717744 
O       9.01302056       3.64605787       0.85921966      -3.48033799       0.83813594       2.43303069 
O       8.68100150       3.80279857       3.76785731       0.22762364       1.74973337      -1.23652157 
O       6.38644654       5.32377228       4.58943479       1.26761340      -0.87739997      -1.10690976 
O       3.32914067       9.37592130       1.68936593       0.12996856      -0.08063488       0.06920071 
O       8.84905328       3.60553688       6.37062337       0.83915376      -0.75800581      -1.60539562 
O       7.07082195       1.51879500       6.65741612       0.25679485       0.99373328       1.15426754 
O       1.87022963       3.54737663       8.78238408       1.01307608       2.63172563      -0.20888382 
O       6.93793751       9.31115655       6.72972127       4.60547197      -0.08733570      -0.32598926 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01665159076948628 -0.0014412433872908503 0.006604975252176642 -0.0014412433872908503 -0.017256591221631187 0.0016182100190086609 0.006604975252176642 0.0016182100190086609 -0.016571260712032482" pbc="T T T" energy=-1058.82634214 free_energy=-1058.82638978 config_type=crystal 
Hf       1.82994102       1.76001030       2.42113718      -3.25001540      -2.49966014      -0.42038740 
Hf       3.72212121       7.09039463      10.50670581      -0.27030227       1.09094606      -0.04394371 
Hf       5.58897113       5.55026819       2.79101118      -8.46777104      -2.54133093       3.16530015 
Hf       9.03270093       5.28831921       7.78674758      -0.96958323       1.64494423      -0.75756093 
Hf       0.05466836       7.23470695       5.23435617      -2.07703514      -2.04268238       0.20080270 
Hf      10.91119358       0.11344653      10.18726365      -1.56824129      -4.81275802       3.36473916 
Hf       7.19572802       3.31137705       5.34221076       0.46106987       1.82491726       0.04444213 
Hf       7.18239863       7.06673887       5.06193445       0.77561947       1.19539654      -0.04854266 
Hf       2.04687694       5.43058769       2.41895303      -1.37758027      -1.16985916      -1.21419798 
Hf       0.22854731       3.61573297       5.04257021      -1.86518134       2.90471818       0.43263340 
Hf      10.72326673       3.61404454       0.04295583      -0.78535623       0.05693496       1.50536954 
Hf       1.82027783       5.25853883       7.55431431      -0.39161413       1.59705037       2.06068234 
Hf       8.93174873       9.25384987       7.87837062       5.39707378      -1.07147072       2.33504289 
Hf       1.82282302       1.63617638       8.17371418      -5.25747886       0.04462465      -0.46360768 
Hf       7.18280137       7.09773110      10.40039232       1.46509150       2.95397950      -0.66419918 
Hf       9.12194971       9.18306097       2.55780571       2.17597877      -0.33103016       0.54312010 
Hf       5.66833377       9.34759883       2.46537200      -2.52471111      -3.31561667       0.03152644 
Hf       5.51933830       8.96130331       7.95201896      -0.35463423      -1.26682005      -0.68166703 
Hf      10.62173803       0.07640243       4.87908365       2.61548078      -0.86286314       2.51185608 
Hf       3.65715235       3.59052300       5.33948219       5.09591197       1.67992589      -3.37921044 
Hf      10.95292454       6.85060460      10.43343150      -0.40590461       3.74356536       1.66017060 
Hf       1.64541306       8.75626747       7.80826950      -3.01704763       1.44795120       1.63417614 
Hf       7.02852018       3.69982093       0.12516742       0.55692331      -2.94755946       0.59338429 
Hf       8.99154351       5.38395161       2.41213686       1.72936963       3.24500764       1.56226980 
Hf       3.58677068       7.25798056       4.95395071       4.58977099      -0.53572687       0.80029542 
Hf       3.57192256       0.01246223      10.60955988      -3.90947210      -3.17352787       2.07061085 
Hf       7.15927073      10.85631201       5.36273398       0.52244256      -0.89089286      -0.79097266 
Hf       5.05759834       1.71812989       2.59332964       0.34940040       1.21043774       0.86325607 
Hf       5.19046909       1.42904487       7.93476523       1.78622163       2.31174782      -2.35703350 
Hf       1.73928888       8.89001152       2.82315455      -0.51675286       4.43803075      -4.54699268 
Hf       3.31164799      10.64009042       5.65232863      -0.72289616      -0.81489659      -2.93174678 
Hf       3.61606330       3.73748229      10.29393140      -1.18319420      -1.72076080       2.12419879 
Hf       7.12993571       0.13812383       0.00708093       3.47926553      -0.23552207      -0.47100929 
Hf       8.85879317       2.04934051       2.76807412       1.76927260      -0.20788075      -0.58101260 
Hf       5.45921769       5.06860824       8.04271271      -3.00841502       3.74075084      -2.14550549 
Hf       9.08688361       1.91959747       7.67802396       0.52708703      -3.31640061      -0.64889041 
O      10.90172157       8.79250005       1.76212834       0.50935732      -0.83400098      -0.33058856 
O       5.67403965       7.35614413       3.56807696      -1.26238543       1.40807731      -0.12604428 
O      10.92141016       5.48727152       4.08661666      -1.37585071      -0.18729391      -0.11126074 
O      10.57757012       2.00246942       4.26341148      -1.13555782      -2.08348852      -1.62489446 
O       1.65403729      10.73326266       3.69102601      -1.35663453       2.52155863       0.66218976 
O       1.55863277      10.88241939       1.13350377       0.32085235       2.22717302      -2.02347856 
O       1.81672885       4.03533561       0.76781611      -0.71196145      -0.80421880      -1.67132153 
O      10.89405401       1.90475111       9.46050673       1.94547891       2.43883495      -0.45350511 
O       1.81544853      10.63551750       9.11903544       0.00282582       2.37488932      -0.55804104 
O       1.51827339      10.48890584       6.26891575      -1.96306261      -1.50256818       0.38351525 
O       0.15035510       1.46938519       6.62932611      -1.14894555       1.51755432       1.96743386 
O       1.29452207       3.66783193       3.30094235       1.96435009      -0.38534212      -0.08557173 
O       1.80057949       7.16659887       0.79513466      -0.44423290      -1.10500731       0.10428948 
O       1.32440949       6.80368378       8.88994711       1.77883869       1.28085604      -3.26811880 
O      10.82363322       2.08227194       1.66692726      -0.49005110       1.19759201      -1.50539908 
O       3.66571414       5.28444988       6.80770029       0.75704541      -0.77630635      -1.91223779 
O       3.16613883       1.18643521       7.03157647       5.47011164       0.97457975      -2.93336908 
O       5.50241183       3.63604606       9.27593935      -0.62242663      -2.01837381       1.05266628 
O      10.60180216       5.51635060       1.26638349       2.73514120      -2.43228638      -0.07038480 
O       1.99608021       7.42943879       5.89435128      -3.22589166      -0.93701844       3.93481391 
O      10.62602719       8.47706553       6.72520193       0.47197626       0.25818956       2.43128853 
O       3.20626157       1.89715214       3.77262771       1.92181732      -0.38088954       2.71522421 
O       5.32778458      10.82234830       3.77890297       0.50035569       2.09785226      -0.10630276 
O       5.33404331      10.88333312       1.01396908       1.65871621       1.65055059       0.17761567 
O       3.42445765       1.95586435       1.22334699       1.25971746      -1.50917447      -0.38371132 
O       3.49347387       1.78910549       9.33271852       1.21607009       0.91235252       1.86322748 
O       5.09764986       0.00305519       9.14502844       0.74480988      -3.24760714       0.33667250 
O      10.56244832       9.32209294       9.09753276       2.54505926      -0.99787608       1.88133889 
O       3.63550362       5.48410797       4.07441563      -0.95768628      -2.42338034      -0.19579689 
O       5.07854654       3.40145333       3.64977093       0.53282711      -0.19344307       1.65664927 
O       5.32007233       3.63729931       1.35240144       0.39056213       0.14906544      -3.15278971 
O       8.94551363       6.74519956       5.97449043      -0.29989990      -0.58946197      -0.71288279 
O       3.54169748       5.32105070       9.23058903       0.42651936       1.83981092       1.55018298 
O       5.47965742       3.28880670       6.46173155      -4.47872604       0.12301467       0.31449451 
O      10.49119882       5.33552522       9.22338426       0.26367384      -2.15233737       1.46454194 
O       9.06806712      10.67769887       6.21237074       0.95033595       1.72327596      -0.57148882 
O       1.96100469       3.32882612       6.01671775      -2.31122209       0.63092380       0.95498720 
O       7.27978278       1.79513468       1.55970541      -2.30210874      -1.68456023      -0.95101379 
O       9.35730618      10.69870908       0.90970178      -1.75566569       0.59550626      -0.70208233 
O       7.60225040       9.15131333       4.37324465      -1.23864031      -0.43334959       0.05643126 
O       7.23729399       1.70062834       4.21469409       0.16887216      -0.21098186      -0.23179442 
O       3.35883296       9.26168867       7.12592320       4.24418141      -0.28999332      -0.22183898 
O       8.36220962       7.31268486       8.60086212       0.79461930      -0.23969819      -0.99044050 
O       7.17702745       1.78911162       9.49218721      -2.01145048      -0.04713492       1.40050996 
O       6.86382817       9.08096595       9.47004403       0.39184698       1.58923874       0.84050905 
O       5.32633675       6.97913283       9.01064005       1.64992444      -0.05148169      -0.84106560 
O       8.30661526       7.23618711       2.94781933       1.97465852      -1.40392128       2.73482431 
O       5.30800298       7.37594173       6.18633714       0.74003495       1.04275748       0.40459404 
O       7.44361519       9.05521836       1.68261130      -2.72276981       1.88694827      -2.88919157 
O       9.00727206       7.03880392       0.45865400      -0.56811947       0.79027571       0.19146619 
O       7.73068233       5.25774759       9.65195235      -2.84951528      -0.73341339       1.17496804 
O       3.21384608       8.63500997       9.54562387      -0.05229776       2.78630242      -1.35628870 
O       9.06182034       0.30603450       8.97334118      -0.98253851      -1.49020437      -0.86568484 
O       7.00101503       5.14566683       7.04710098       3.45760953       0.34401733      -1.34422688 
O       5.36070780      10.85108852       6.42787787      -0.76336936      -0.27443937       1.26353815 
O       0.03574954       5.24739899       6.63500019       0.44721327      -0.52646980       0.24537607 
O      10.85274452       8.88272556       4.27128374      -0.76411266       1.88529882      -1.35024171 
O       1.71906290       7.04029679       3.35338775       0.67181145       1.06127335       2.82616017 
O       3.41771029       9.06033744       4.33330300       0.13530915      -0.16523720      -0.47758231 
O       3.76444490       5.85236499       1.43678241       1.33308126      -2.75699810       1.80496784 
O       5.24075637       7.97423432       0.90014429       1.74056504      -2.02949728      -1.03027328 
O       9.04758126       0.10850888       3.52278594       0.89802647      -0.51471533       0.25765330 
O       8.99426367       3.42479915       8.77944899       0.56358087       1.44328241       1.72650195 
O       7.06494976       5.48756174       1.89257763       5.05660540      -0.67758946      -7.46441919 
O       8.77846772       3.62102396       1.28441686       1.50134871       0.40395162      -3.46078859 
O       8.68863509       3.89190766       3.64267575       0.30456751      -2.15753405       1.56857845 
O       6.75220427       5.08710592       4.38956113      -0.29302513       2.28156143       1.16509617 
O       3.54319198       9.46354870       1.75642705      -0.44868095       0.34837310       0.13787882 
O       8.99926585       3.42488942       6.27789311       0.49417670       0.88547633      -0.96612016 
O       7.07204245       1.66988996       6.81727351       1.74162201      -0.98271630       0.84214759 
O       2.16597534       3.64722917       8.54802069      -1.58576936      -2.20721213       1.26366078 
O       7.39354331       9.29604833       6.90656030      -7.84948342      -0.61559325      -1.79137626 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.005098814496444811 0.00729917352317915 0.0073773316353212895 0.00729917352317915 0.008394561876258281 -0.002572799275988537 0.0073773316353212895 -0.002572799275988537 0.02013204049494516" pbc="T T T" energy=-1062.03217548 free_energy=-1062.0322904 config_type=crystal 
Hf       1.61429363       1.68222905       2.50018176      -0.71028703       0.97981017       0.76373113 
Hf       3.64665431       7.02298751      10.17277080      -0.24467597       0.90999433      -0.06741895 
Hf       5.33288515       5.13580314       2.13861581       0.53098040       1.54515584       2.94388944 
Hf       9.30205069       5.43190942       8.25526646      -2.50431853       1.51696963      -5.52591532 
Hf       0.12737248       7.44106672       5.33433180      -2.84115060      -2.88758503      -0.53005428 
Hf      10.76381171      10.79399078       0.13036341      -1.00861681       2.11572504       1.61553325 
Hf       7.29098935       3.82275788       5.48176974       1.11482967      -0.36576019      -2.40226703 
Hf       7.27780117       7.15122366       4.85980647      -0.12690898       1.09671756       0.23457518 
Hf       1.88214735       5.21215321       2.21562642      -0.59663434       1.83255533       2.41161918 
Hf      10.68103486       3.72002095       4.76383787       2.16831158       1.91212470       0.14458131 
Hf      10.74880681       3.51348391       0.00006303      -0.34831285      -1.33324174       0.95778313 
Hf       1.76439434       5.19720057       7.77570819      -1.32856377       0.75119742      -3.33585114 
Hf       8.84957906       9.19629395       7.89405360      -1.57287914      -1.15176069      -2.18258310 
Hf       1.93853349       1.47210929       8.14651680      -0.79807836       2.63842123      -1.90520638 
Hf       7.13951388       7.21483408      10.45785609      -0.38431002      -1.15238839       0.13237654 
Hf       8.98192929       8.91832347       2.42650940       0.40989394       0.14092288       1.33174713 
Hf       5.38428073       9.07272539       2.45938298       1.13523360      -1.30572459       1.05095914 
Hf       5.57335500       9.35177504       8.03197051      -2.22466880      -1.46369740      -3.38669658 
Hf       0.11320725      10.83129212       5.66759740      -2.61819774       0.20163463      -3.23454189 
Hf       3.29555001       3.57146964       5.07460421       1.12654755      -1.94546911       0.83094982 
Hf      10.81646537       7.19927667      10.46179074       1.02026360       1.40137705       2.49731876 
Hf       1.37617374       9.02016847       8.29427999       2.29058260       4.26395558      -1.43834065 
Hf       7.47745850       3.60133876      10.38179359      -3.99191882      -0.57354655      -0.92814795 
Hf       9.02839128       5.40230675       2.17191020      -1.08104116       2.85875427       4.82163942 
Hf       3.58233076       7.16457398       4.96035075       0.75528129      -0.48728455       1.60034194 
Hf       3.36984692      10.81034929       0.20285617       1.06904083      -0.14815507       0.51991037 
Hf       7.05207273      10.93665598       5.26752397       1.75394595      -0.51641343      -2.61655861 
Hf       5.66247669       1.79897104       2.60100473      -3.16418514      -1.05540403       1.89626639 
Hf       5.35462668       2.02906840       7.78321344      -0.86421005      -0.82368055       0.06324165 
Hf       1.75491356       9.06924774       3.12263077      -0.92131331      -0.30075321      -2.10672275 
Hf       3.45789448      10.53831817       5.51689954       1.64907616       0.54129241       0.63915844 
Hf       3.51876985       3.51643349      10.18919324       1.76112270      -0.73667602       0.47111959 
Hf       7.24856980      10.74825748      10.52864173      -0.41203699       1.74060939       1.16199995 
Hf       9.06188257       1.79334064       2.80045409      -1.80918367      -2.20894141       1.30562770 
Hf       5.31074242       5.30328171       7.31841067      -0.25072747       3.20807718      -0.08120095 
Hf       9.10463354       1.76430954       8.10031190      -1.53819230      -3.14796260      -0.79509163 
O      10.86132493       8.87791325       1.47165722       1.10078236      -0.18655202       0.36967904 
O       5.79505349       7.06434269       3.11583661      -0.60158816       2.10836591       0.35239818 
O      10.93384127       5.64966069       3.88480873      -0.87202299      -1.00187753       0.68883943 
O      10.95410275       1.75281385       3.81874386       0.16804110       0.65165429       1.10114738 
O       1.72231771      10.84434565       4.32345193       0.08987180      -1.22759493      -0.85114138 
O       1.63188108       0.05739761       1.32796919      -1.48673774      -0.10801116       0.45203266 
O       1.62842567       3.09442820       1.05205279       0.81516872       2.29921492      -1.75740606 
O      10.73226216       1.75364749       9.60378193       0.99332448      -0.10723021      -0.87501614 
O       1.62328500       0.04378291       9.42389950      -0.67497019      -1.22808970       1.06994010 
O       1.91409811      10.70364979       6.95805440       1.64650344       0.73140036      -1.39616747 
O      10.74498185       1.27475098       6.90089823       0.43644616       1.94501383       1.31998204 
O       1.65628809       3.60060997       3.74603704       1.86918169       0.05533719      -2.26945087 
O       1.69145630       6.92554561       0.78582270       0.69842823      -0.69543140      -0.41050080 
O       1.56157555       7.29438746       8.88083381      -0.17788451      -4.43578422       0.23220828 
O      10.52232756       1.81480300       1.43724583       1.35201281       0.30780821      -0.51947508 
O       3.40090389       5.50512037       6.36708200      -2.26241140      -1.09758850       0.62415729 
O       3.54636637       2.49454611       6.99285067      -1.42228081      -0.97471335       0.02116576 
O       5.37178728       3.91904731       8.78595117       0.16724359      -2.42331305       1.26709089 
O       0.00005303       5.10244574       1.36728087      -0.83372826       0.13857161      -0.53470449 
O       2.01928382       8.07249726       6.14584256      -4.10039032      -0.24581365       0.03982461 
O      10.71269211       9.52009919       7.15389564       0.57514576      -0.90969207      -1.05191770 
O       3.65624958       1.55243277       4.68139988      -0.92342870       0.23446350      -1.11453607 
O       5.77655845      10.75234812       3.50645066      -2.61291919       2.51081193       0.15173288 
O       5.30333649      10.53706513       0.98058584      -0.28560224       0.00246765      -1.97230598 
O       3.68500678       1.62752355       1.19535371      -0.00430606       0.84017261       1.49327381 
O       3.67731019       1.55812310       9.23391346      -1.36463802       1.10621382       1.59478055 
O       5.59102418       0.33179950       8.94980698       1.59158574      -2.88571914       0.64718419 
O      10.70891656       9.16614633       9.70468569       0.88520141      -2.55981955      -2.19484078 
O       3.64208226       5.51220956       3.33797580      -0.92573672      -0.00646247       2.54331139 
O       5.16114733       3.54995709       3.46590198      -0.53292362       0.42561795      -1.11762029 
O       5.74012679       3.44939120       0.82429479      -1.04058844       0.53655264       0.11260379 
O       9.25683834       7.51260655       6.22245341       0.05694323       1.13432720      -0.51470099 
O       3.47053365       5.29623109       8.98710957      -0.62822706       1.77650946       1.55775287 
O       5.30936766       3.71279536       6.01323005       0.43298711       0.77037004       0.54491745 
O      10.88017506       5.35362146       9.41824657       1.30949940      -0.50823294       0.58783929 
O       8.41136492      10.94403342       6.87942446      -0.72647199       0.16496186      -0.08897175 
O       1.25885010       3.58152396       6.20554236       1.48037296       0.56433287       0.25206932 
O       7.26538047       1.43693330       1.73986792       2.50803214       0.02730552      -1.34892887 
O       9.03665419      10.70247443       1.28218817       0.67493588       0.82113260      -0.98876453 
O       7.27635389       9.22980759       3.91633828       0.96889960      -1.33437940       1.80776135 
O       6.90624081       1.93339831       4.35413849       0.00881723       0.17947829       0.82254361 
O       4.18302666       8.54953629       6.71182331       1.12444376       2.49453269       0.81481884 
O       8.94160869       7.32403746       8.92692753       1.92717795      -0.16048955       0.44887288 
O       7.50396479       1.70888303       9.75046000       0.05971154       1.49660430       0.09919324 
O       7.21790625       8.98938168       9.22837532      -0.85918816       1.39806461       2.57547582 
O       5.39837848       6.97720491       8.83323598      -0.06553355       1.01428401       0.61762184 
O       8.82032786       7.32950100       3.49318301       0.47788328      -2.64139044      -0.74409165 
O       5.34542396       6.67898072       5.45077090       2.30766287      -1.24108520       1.83907930 
O       7.24680939       9.08208094       1.35749889      -0.88291553      -1.61974077      -1.80455266 
O       9.01566227       7.02465962       0.87552752       1.87244305       1.60546299      -1.13964671 
O       7.71268732       5.41305820       9.55019508      -0.86827269       0.04423957      -0.03257782 
O       3.22507773       9.18380543       9.37811200       1.93527477      -1.38733539       1.05752866 
O       8.94238898       0.00626793       9.21648424       1.47304091      -1.95009932       0.71529594 
O       7.26434600       5.53842037       6.78689976      -0.01776213      -0.96529091       0.10920163 
O       5.21693473       0.12114980       6.53015807       0.63175037      -0.01079990      -0.69452998 
O      10.86769563       5.69890024       6.61634895       2.46733383       1.19010346       2.21161906 
O      10.45000393       9.21013927       4.02835486       3.11564188      -0.08713350       1.99596276 
O       1.92196780       7.11450627       3.74180829      -2.04629470       1.97896482      -1.25936899 
O       3.71122503       9.03166658       4.22127897      -0.21690496       1.08214204      -1.50527400 
O       3.53219172       5.11779597       1.10121170       0.54178318      -1.38338711      -4.02998652 
O       5.18717353       7.23949385       0.82363983      -0.92208686       0.60156887      -2.06943862 
O       8.93705505       0.49128643       4.50112056       0.61157616       0.03448683      -1.04989739 
O       9.15847198       3.53560857       8.99133183       0.76519548       1.18352574       0.42409205 
O       7.14050880       5.79536355       1.37921968      -0.16737620      -1.63875861      -0.40276561 
O       8.85916008       3.79035036       1.03311871       2.11434710      -1.54771786      -1.64255829 
O       8.81357041       3.71673426       3.34706285       2.66964730      -2.72263023       1.77746792 
O       7.39245856       5.31366471       3.99978262      -0.54778394      -0.31828029       1.36984208 
O       3.19194668       9.18164293       1.76928846       1.11219849       0.25387398      -0.84807369 
O       9.31498863       3.88254521       6.10528697      -2.03767064      -1.19065357       1.33902260 
O       7.18989373       2.47764484       7.22903725       1.94176209      -0.23297385      -0.65855299 
O       1.98934698       3.54173001       8.75370172      -1.66426861      -2.20021332       2.55824747 
O       7.05993695       8.67665164       6.73996561      -0.63275763       1.52774698       0.40008114 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.027004212537065128 -0.005132715022326209 -0.003654750727217702 -0.005132715022326209 -0.04532559200229718 -0.009492888026543347 -0.003654750727217702 -0.009492888026543347 -0.026576373851179343" pbc="T T T" energy=-1052.94706459 free_energy=-1052.94707425 config_type=crystal 
Hf       1.52977269       1.66265265       2.46533533       3.08525483       3.60484631       2.65121358 
Hf       3.62501895       6.99041379      10.24856343      -1.41239545       1.25651736      -2.95153842 
Hf       5.38205721       5.07056093       2.20965420      -2.58344326       2.82363136      -2.96871404 
Hf       9.26191261       5.60656088       8.14250892       0.37206124      -3.35779046      -2.48010065 
Hf       0.13133560       7.43124379       5.26593525      -4.84217994      -5.46372480      -1.57497003 
Hf      10.80305249       0.03926554       0.16526905      -1.81765086      -2.70587387      -0.95363485 
Hf       7.32448370       3.74320187       5.55508593       0.41843448      -4.33048521       1.97088973 
Hf       7.16231847       6.92938788       4.80604308       1.33216554       2.45734523       0.93604441 
Hf       1.83874132       5.36923376       2.06754213      -0.07153017      -1.37906395       0.88944079 
Hf      10.64358144       3.77592503       4.75911796       4.52529576      -3.24447355       5.83532075 
Hf      10.76273704       3.38320875      10.49502751       2.60975290       1.90343947       0.47015071 
Hf       1.66533106       5.30702570       7.70105711       1.49463154      -5.51102530       1.67130114 
Hf       8.84280157       9.25496574       7.74564066      -0.52954306       0.37392022       3.02535625 
Hf       1.93747339       1.50517187       8.23604965      -1.66896651       0.57943384      -1.56433534 
Hf       7.04493457       7.06944577      10.33418024      -1.87370238       2.41790037      -0.60882873 
Hf       9.02355640       8.99485661       2.51777329       0.21186010       0.75048070      -1.58215608 
Hf       5.43504722       9.00725529       2.44372072      -1.50742512       2.91670661      -1.57889678 
Hf       5.51739843       9.37769244       8.13502292      -0.49099203      -0.37689872       0.60897068 
Hf      10.93759502      10.76300031       5.62632701       0.68923331       4.59814946      -3.78176688 
Hf       3.19612847       3.60690156       5.24945307      -0.83822598      -4.31063299      -1.80870461 
Hf      10.79314257       7.20760455      10.47222650       6.23214873      -0.75128049      -3.06771600 
Hf       1.45676432       9.05527500       8.25277853       3.05004664      -0.97678799      -1.64386380 
Hf       7.40569100       3.65577924      10.38938397      -0.17402371      -1.38803345      -0.01123634 
Hf       9.10819172       5.59616298       2.26410476       1.00844738      -4.65947769      -1.69502128 
Hf       3.69681647       7.10370847       5.01985966      -0.54626338       1.15169905      -0.16084510 
Hf       3.26931784      10.77705237       0.20120155       2.09903736      -0.48403256       1.48083668 
Hf       7.23126370      10.89538692       5.25571515      -1.57180402      -0.38370519      -0.46528067 
Hf       5.68972952       1.73831413       2.49139997      -2.61480846       1.19292497       0.72299002 
Hf       5.25064295       1.98611135       7.74621038       2.40272933      -1.61546768      -0.57384064 
Hf       1.72935837       9.05714234       3.07552230       1.37306149       0.28975471      -4.06153895 
Hf       3.45411412      10.52504125       5.51727198       3.46179912       1.77544102      -1.53572367 
Hf       3.49693794       3.54908007      10.12427173      -0.41675980      -1.08773412      -0.64208553 
Hf       7.21749869      10.71897549      10.61839757       1.60099966       1.04298203       1.09943456 
Hf       9.12320122       1.90001581       2.88972451       1.90940334      -5.61146345      -1.57317587 
Hf       5.31904367       5.32578084       7.42597083       0.15560101       0.30075196       6.31680353 
Hf       9.08171534       1.69541854       8.04304189      -0.52830556       1.31064298       1.79560624 
O      10.92171692       9.28044787       1.54522010       0.17422039      -2.38314354       1.20181166 
O       5.65166673       7.32075603       3.46808167      -0.38568132      -3.06736948       1.17239923 
O      10.54514047       5.42131125       3.97643581       0.95877138       3.20276253      -0.87885674 
O       0.06056970       1.50939004       4.04646487       0.37009691       2.09246422       0.00804163 
O       1.76121776      10.57364897       4.30473777      -0.44364337       1.97608065       0.87137006 
O       1.49622904       0.08264319       1.33039654       1.39271496       0.05557095      -0.21565502 
O       1.60520410       3.29312742       0.88145234       2.30231242       1.31081165       0.83038881 
O       0.52120026       1.59684335       9.65759337      -3.79767138       0.52482269       1.33610688 
O       1.71441800      10.65723404       9.44856112       0.12931722       0.23511658      -0.24099352 
O       2.13720215      10.78337387       6.87563129      -1.37465657       0.10692792       1.76916083 
O      10.81898032       1.42571578       7.01098906       1.18257893      -0.92864635      -0.23190751 
O       1.89259203       3.61504768       3.51122584      -0.67659635       0.44344245       0.16850752 
O       1.60274656       6.98610918       0.84387744       2.72397742       0.27545696      -0.73340225 
O       1.63802356       6.94547403       8.54579295       0.82339468       6.33141064       2.35928379 
O      10.71393332       2.00762937       1.65453469      -1.17531338      -1.77841070      -1.93240865 
O       3.09130223       5.38914465       6.16425634       1.42055305       2.10909955      -0.18258341 
O       3.40866490       2.50574008       7.00389144       0.54847894      -1.12761682       1.95343848 
O       5.46714589       3.37319803       9.14055608      -0.58396072       1.51776971      -1.04028731 
O      10.83306908       5.20616893       1.28400712       1.08669246       0.78264664       1.06219647 
O       1.68865946       7.92583323       5.94131806       5.67435890       1.63167148       2.96250322 
O      10.83186622       9.70002224       7.18527011      -0.47973280      -0.91493142       0.05303564 
O       3.75729260       1.42733475       4.69072831      -0.89546949       0.51135473       0.19415053 
O       5.75561189      10.91829076       3.27152595       0.41947469      -2.85043028       0.96559562 
O       5.23190545      10.47245913       0.83026255       2.17237082       0.52305118       0.41800137 
O       3.61532826       1.87015250       1.80807953       0.37325936      -1.51011089      -0.48820055 
O       3.54903252       1.65733713       9.57425701       0.27476448      -3.32534037      -0.84586345 
O       5.99493322       0.07979090       9.23256496      -3.20798731       3.02332420      -4.11048607 
O      10.92165732       8.91665421       9.40154203      -0.04452035       0.71732308       2.83185181 
O       3.53405698       5.68454930       3.25687504       1.35057720       0.33736701       0.77729399 
O       5.41263530       3.67189036       3.30068119       0.44472459      -3.11192897       3.84081493 
O       5.65642087       3.37793168       0.86416257       0.70483219       0.56050950       0.96675011 
O       9.34805920       7.95773776       6.33428070      -0.48712501      -1.54931286      -1.89012249 
O       3.58582255       5.48354746       8.76143857       0.93834349      -1.84348337       0.32149994 
O       5.40029665       3.71133525       6.40487437      -0.87612963      -1.19527500      -1.25421602 
O       0.20287718       5.17576515       9.34170810      -2.04291039       1.97582527       0.36546870 
O       8.40613211       0.35178598       6.82263967       1.03074528      -3.85792333      -1.46414544 
O       1.42341776       3.48357863       6.09095121      -1.03486463       0.82746151      -0.30613261 
O       7.65190793       1.51854214       1.72836936      -3.66926520       0.04932077       1.23733316 
O       9.02544510      10.58388899       1.07666913      -0.14924627      -0.31212578       2.40943242 
O       7.35842999       8.96328426       3.90506813       0.56671037       1.07611019       0.23393381 
O       6.51423711       1.78042702       4.82903764       2.40001855       0.58426631      -1.36960983 
O       4.27632971       8.67466126       6.72588537      -1.72482508      -1.05148177      -2.21089097 
O       9.32861493       7.36221934       8.91608457      -1.73098046      -0.61423407      -0.59186128 
O       7.79749027       1.82509003       9.97935223      -0.20618282      -0.32981373      -0.95660832 
O       7.22568721       9.11721048       9.41790634       0.84281564      -3.27559449      -2.62829584 
O       5.25752836       7.33073870       8.91513721       2.09321759      -1.43321637      -0.40119273 
O       8.89598309       7.03303635       3.37747561      -0.69589020       5.16619483       1.69607304 
O       5.51629275       6.22470859       5.85669688      -1.75820936       4.13468189      -4.86098737 
O       7.40097499       8.52709128       0.91353066       0.05036018       3.08743610       6.26875069 
O       9.26112170       7.09207188       0.71231104      -5.46541654      -1.08109693       4.22921752 
O       7.37661191       5.46253418       9.15135472       0.45333908      -0.92084517       1.59815268 
O       3.65971715       9.17614981       9.51393181      -0.97684358      -0.61851678       0.10824827 
O       9.12680487      10.85039468       9.33452693       1.23203631       0.38727180      -1.99789355 
O       7.38529389       5.34323046       6.82213809       1.05172129       1.45669547       0.45475412 
O       5.33953500       0.01603663       6.64979257      -0.66670487       1.21980049      -0.12839923 
O       0.17361042       5.86002115       6.74839834      -4.43544761       0.40538284      -1.83067965 
O       0.10857648       9.00256163       4.17846865      -5.36176440       2.25125817       0.35445780 
O       1.55263217       7.16020736       3.56120659       0.66601466      -1.82528981       0.03461252 
O       3.64443090       9.01736998       4.14585495       0.93265154      -2.04168175      -0.08673026 
O       3.69927258       5.08652021       0.59707993      -0.19139201       3.18054686       4.02511481 
O       5.07127997       7.43503916       0.74047024       1.91689191      -0.41367830       2.26020762 
O       9.15342838       0.10056633       4.35503930      -1.55855853      -0.69396127      -0.83067777 
O       9.33733350       3.65761513       9.07794904      -1.52863682       0.05276109      -1.82907453 
O       7.14834179       5.61060518       1.38431639       0.78069584      -0.03614609      -0.74234466 
O       9.14198988       3.60091630       0.93737002      -3.79007769       1.18093812       1.39326894 
O       9.07783976       3.53130056       3.69946905      -2.35027237       0.99681668      -0.66070641 
O       7.65931331       5.14197915       4.29866394      -1.29583180       2.49426838      -2.85903892 
O       3.33739634       9.43868504       1.80111817       0.10846285      -0.97325236      -0.51745946 
O       9.15847768       3.60167182       6.36260507       2.10200782       0.43458256      -1.37052224 
O       7.32399572       2.26800364       7.29335960      -2.71300415       1.50423977       0.52265817 
O       1.75442613       3.38729577       9.03969357       1.50560901       2.13160801      -1.86722409 
O       7.07909549       9.16207486       6.85373098       0.03421236      -0.83365022      -1.83843159 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007950736220105005 0.0047556951094414575 0.014578348695624658 0.0047556951094414575 -0.004826710862962556 -0.0046542849853074076 0.014578348695624658 -0.0046542849853074076 -0.010049078728886168" pbc="T T T" energy=-1061.56587154 free_energy=-1061.56587573 config_type=crystal 
Hf       2.03327123       1.61665071       2.72757593      -3.88321391      -0.53762543       1.67635708 
Hf       3.41724477       7.26559991      10.55595347      -0.94460644       0.02701835      -0.82678099 
Hf       5.41551870       5.58871443       2.22482178      -4.77611321      -0.44655602       4.08213692 
Hf       9.57300396       5.43290302       7.79277316      -6.17185584      -2.63598481       0.44139831 
Hf       0.07652536       7.00541595       5.01456514       0.32731841       1.81677551      -1.78363727 
Hf      10.83508027      10.94705662      10.55189149      -0.63398327      -2.64590018      -0.33410088 
Hf       7.39831148       3.72582127       5.19257974      -2.17329342      -0.01733667       1.85660860 
Hf       7.43809457       7.39557642       5.16495210      -3.10602725      -2.60019560       1.71577165 
Hf       1.76512313       5.14261559       2.57940554       1.32797595       0.44241187      -0.28474650 
Hf      10.92278754       3.45979962       5.14802711      -1.24376202      -1.12903558      -1.14264283 
Hf       0.25286810       3.46405066      10.54800096      -3.96864446      -0.14349273       2.15632261 
Hf       1.84293286       6.00593984       7.86250344       4.26893148      -3.29481293      -1.95354250 
Hf       9.06296721       8.83020162       7.90819081      -0.52821829       1.21709466       1.36938719 
Hf       1.50183500       1.78232011       7.80023163       1.71700517      -1.83404872       0.59684964 
Hf       6.99150676       7.04077019      10.57747093       3.63869170       0.38013897      -2.47356510 
Hf       8.95883843       9.05301095       2.48015906       1.00438657       0.81200057      -0.84542709 
Hf       5.60998825       9.40852526       2.49809497      -3.37002354      -3.55893628      -0.04948261 
Hf       5.17184258       8.85528659       8.02899535       2.53999058       0.80201961       0.25746618 
Hf      10.62567233      10.64520370       5.18002614       0.70141940       1.98733217       2.39724377 
Hf       3.50705340       3.38643627       5.37406757       1.24115892       2.62630073      -0.82588707 
Hf      10.47338645       7.04047110      10.49033864       2.06469592       4.49884217       1.14425778 
Hf       1.67619942       9.18557274       7.82372204      -2.22918159       3.17750800      -2.39577575 
Hf       7.10889559       3.44611832       0.03243811       2.44565415       3.37863494       0.20789036 
Hf       8.98830941       5.58299847       2.66356607       0.03569485      -4.68427413      -2.56081504 
Hf       3.66298215       7.26194423       5.13898492       4.00215557      -2.56326558      -0.74861701 
Hf       3.32503151      10.83619921       0.14679053       5.33786229      -1.22624239      -3.55607713 
Hf       7.08966781      10.84665309       5.27300492       0.74236935       2.28673214      -1.75928228 
Hf       5.42378763       2.00979537       2.86666011       0.24049258      -0.80538916       1.23183548 
Hf       5.22803886       1.68929633       7.69762352      -0.17993079      -0.43591140      -0.01921018 
Hf       1.66268157       9.11549510       2.52408829       0.53524603      -2.72001243      -1.13123986 
Hf       3.40942076      10.65877062       5.23836479       1.65374445       0.41484540       1.71741683 
Hf       3.45804184       3.37907965      10.34474036       1.46894007       2.31076202      -3.51872734 
Hf       7.36893395      10.81294630      10.29028980      -1.26912267      -2.46046583       0.29984525 
Hf       9.15571457       1.86538061       2.59260665       0.19183250      -1.80748479      -1.63135403 
Hf       5.51623414       5.35623951       7.93141454       0.40086656      -0.82845560      -1.29719864 
Hf       8.99073408       1.86305148       7.94284932      -0.38668738       0.79216177       2.22779765 
O      10.79228110       9.13289903       1.43199203      -1.75491218       0.31385289       2.30477193 
O       5.21872286       7.28617189       3.46847420       0.85572322      -0.78702748      -1.50366119 
O       0.06534586       5.07020333       3.88728497      -1.74449579       2.19034643       0.16739085 
O      10.47678598       1.46220847       4.14405121       1.97175532       0.89924671       0.89595235 
O       2.10855122      10.77974436       3.83652108      -4.32523226       0.83202313      -4.58708739 
O       1.65419078      10.52705211       0.86382850      -2.85148606       1.55758099       2.38850363 
O       2.28541798       3.30369437       1.29801167      -2.76328743       0.96328392      -0.17279605 
O      10.66634626       1.67821324       9.46538523       1.55540162       0.94817472       0.77018647 
O       1.55991944      10.65986326       9.03264803       0.49980853       2.61670707       0.70867720 
O       1.49985832      10.62628126       6.24617267       1.78995965       0.87922689      -0.46821478 
O      10.65740419       1.42738690       7.02752236       1.34505343       0.43413405      -2.01181735 
O       1.39376896       3.17358639       3.70473285       1.48851274       1.59884276      -0.76890149 
O       1.64133556       7.88544000       0.51584153       0.27697487      -0.92798955       0.56581126 
O       2.29932630       7.65066113       8.69014083       1.83673766      -2.36450988       1.45184586 
O       0.04727306       1.89343290       1.36312206       0.32918169      -0.99826135       0.37683537 
O       3.42202870       5.45093495       6.65501492       0.18786140      -1.47939920       0.10770619 
O       3.37330704       1.31669329       6.65760393       0.26673250       2.03108735       2.25373318 
O       5.01746585       3.50565311       8.63050853       0.35889752      -1.19422413       0.47015854 
O       0.12154192       5.53667694       0.87911619       2.77666536      -2.57355382       2.12338414 
O       1.95374645       7.25153416       6.06291914      -4.64806470       0.40176235       0.81211807 
O      10.87523872       9.11903925       6.95180423      -1.31731563      -1.39449189      -0.42373232 
O       3.46500591       1.68925820       4.32072113       1.10179785       1.44556905      -2.08506680 
O       5.19596802      10.90342544       3.60327564       0.93801157       1.76639719       1.75001415 
O       5.73471124      10.63287995       0.98115799       0.27753193       1.50124920      -1.09767810 
O       3.48046012       1.24213453       1.63564632       4.51051820       0.22258748      -1.58361282 
O       3.36003341       1.61704600       9.30315778      -0.67712859      -0.07601959       1.68010766 
O       5.34290178       0.11660580       8.91657722       2.77276733       0.02185337      -0.75354136 
O      10.83039921       8.81482115       9.40876667      -1.61016833       0.57829236      -0.26639528 
O       3.48404821       5.13083416       3.73183988      -1.92875239       0.30046466       1.28367669 
O       5.48888752       3.77713929       3.69204490      -0.43352736       0.18531261      -2.26528689 
O       5.16550880       3.76762827       0.64090213       0.95325870      -0.55776336       1.87518234 
O       9.08232898       7.44874238       6.25584909       1.65111923      -1.19634017       0.17868977 
O       3.41412351       5.28489557       9.35567375      -1.37647007       1.12398222      -0.23142281 
O       5.32655236       3.55004332       6.07060593      -0.30526594      -0.45726568       1.18116112 
O       0.25165318       5.85043936       8.96965069      -1.12672359      -1.41705099       0.04261417 
O       8.90902873      10.56321195       6.14970152      -2.08594439      -0.55160471       0.71127881 
O       1.64338893       3.12744662       6.22329821      -0.46650572       0.55531143       1.27952744 
O       7.10930271       2.23474637       1.94438625       1.48428391       0.15075363      -1.96667927 
O       9.03995457      10.82958310       1.04005785      -1.25409294       0.66411987      -1.66538214 
O       7.27220759       9.05108039       4.13274929      -0.71078028       1.04069482       0.58656576 
O       6.82308236       1.91442241       4.46138117       0.42038333      -3.10855587       0.31968106 
O       3.80806720       9.00455716       6.59845397      -1.71608493      -0.18261136       1.07825593 
O       8.95235094       6.83479948       9.11270906      -0.03049206       0.41245114      -1.23373854 
O       7.38062652       1.75537777       9.86197341      -0.20557572      -0.37800289      -0.84406530 
O       7.46333030       8.77353971       9.57501050      -0.10171139       1.92363899       1.77095817 
O       5.27853747       7.04094012       9.14373426       0.00635825       1.65959292      -4.24949824 
O       9.14913429       7.22011827       3.55466922       0.66778409       2.67130222       3.03556870 
O       5.46084290       6.93117952       6.06735494       0.90067942       0.08780536       0.49136247 
O       7.17744136       8.60393601       1.59719358       0.41856896       0.32789019      -0.05973096 
O       8.94288748       7.21967017       1.18717012       0.65575904      -1.35655120      -1.11471523 
O       6.94552476       5.19036391       9.38694055      -0.51536429       0.01402921       3.06005722 
O       4.19340440       9.27903180       9.67499995      -2.55875606      -1.30764582       1.46870510 
O       8.92146949      10.90403306       8.78699175      -0.27447949      -1.23870668       0.42180894 
O       7.50455444       4.94047958       7.05214306      -0.89889891       1.72995215      -0.96504109 
O       5.40531757      10.90329594       6.27008696       1.13182581      -0.09255322      -0.14508926 
O      10.88507622       5.49622355       6.32466974       1.75343644      -0.85560541       1.24650327 
O      10.85606013       8.97704873       4.31171220      -0.06863008      -0.39163212      -1.79971996 
O       1.18967227       7.16454900       3.26859851       1.34524627      -0.63334347      -0.12203789 
O       3.37945204       8.89318307       4.16913554      -0.66357994       0.12813605      -0.47339200 
O       3.17278847       5.72833244       1.22149637      -0.15724390      -0.26565064       1.66765774 
O       5.25953331       6.70751694       0.58887519      -0.39965570       0.46183956       4.00992221 
O       8.74936343       0.01338714       3.52744283      -0.66387832      -1.14842218      -0.38753514 
O       8.94390792       3.58550132       9.14563313       2.47179528       1.14442160      -1.91521015 
O       7.23629053       5.42409999       1.65490192       0.35530327      -0.29641793      -1.51210040 
O       9.35488205       3.99709643       1.00635223      -1.42734234      -1.81357196       0.26494244 
O       9.01347545       3.42321841       3.65197655      -0.64077712       2.73616076       0.83642548 
O       7.41344719       5.50903966       4.21247210       1.04077216       0.99465068       0.02953249 
O       3.60022684       9.12862466       1.67744667       0.69773647       0.33321886      -0.65787916 
O       9.17243178       3.56816454       6.12308513       1.94197942      -0.82943738       1.41555780 
O       7.28220121       2.06365266       7.09809701      -2.19248216      -1.39469405      -0.85171184 
O       1.61438260       3.48948381       9.02636576      -0.78145337      -0.10465412      -0.06603357 
O       7.07367194       8.45679792       7.37479485       0.46628662       0.99984508      -3.14050066 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0006730931945951911 -0.0004392830171548588 0.011748788938513515 -0.0004392830171548588 -0.004122423311046732 -0.005628395866553891 0.011748788938513515 -0.005628395866553891 -0.0026470402170032715" pbc="T T T" energy=-1062.75630029 free_energy=-1062.75630428 config_type=crystal 
Hf       2.01364630       1.57115449       2.72664802      -1.67524861       1.39337660      -0.63699311 
Hf       3.49521632       7.26289740      10.51919393      -0.65663540      -2.06766177       0.04099402 
Hf       5.41376453       5.60611410       2.36452851      -2.13381600      -2.76546812       3.08285203 
Hf       9.63204475       5.40503928       7.79335914      -3.34421632      -2.03152687      -2.41160287 
Hf      10.94943330       7.01105533       4.87269637       0.35845123       2.45895283       1.25970172 
Hf      10.81097795      10.78857380      10.59717752      -1.79848649       0.74281000      -1.23856023 
Hf       7.37070729       3.76588879       5.19304763      -1.54255521      -1.21583496       2.23928716 
Hf       7.42735145       7.46115027       5.18062902      -0.43066143      -3.75764038       2.26296428 
Hf       1.77557658       5.20908520       2.49767619      -1.45766254      -0.28303976       1.94496487 
Hf      10.83053846       3.52017660       5.21065510       2.11934239      -0.60632280      -1.58583971 
Hf       0.14479636       3.52110589      10.58348216       1.70294188       1.97868950       1.36056104 
Hf       1.90331773       6.09043996       7.76541337       0.22378506      -6.08620423       0.67201706 
Hf       8.97513077       8.86643914       7.98554878      -0.08224447       0.15768421      -1.51053232 
Hf       1.46145995       1.77562347       7.76254056       2.69746372       0.79672368       2.53542711 
Hf       6.97545063       7.04539538      10.47538842       0.49176650       3.66914910       2.10504715 
Hf       9.00768115       9.08367832       2.38078078      -1.76473145       0.85655203       4.03267015 
Hf       5.62840243       9.32566284       2.50468994      -2.28793741       0.11656346      -1.45772591 
Hf       5.27599470       8.84578829       7.98463564       0.58883300       2.59148397       0.13366711 
Hf      10.63400645      10.75810013       5.20499983      -0.63770829      -1.45201474      -1.13282914 
Hf       3.55725719       3.47152364       5.46008063      -1.66835882       2.49120106      -0.40731997 
Hf      10.49170707       7.06660411      10.57382869       4.96696369       0.59483968      -0.76239025 
Hf       1.63849193       9.19824226       7.77383122      -1.97444793       0.72064176       0.00603321 
Hf       7.13527599       3.42285391       0.09260431      -0.20574692       1.07528233       0.34625345 
Hf       8.99458567       5.51213813       2.62538330      -0.01501817      -1.56933308       0.44500310 
Hf       3.62744910       7.23970508       5.21541838       1.24929427      -1.88508056      -1.22713693 
Hf       3.34930858      10.75783981       0.10493480       2.73407618       0.44757057      -1.84354217 
Hf       7.00847969      10.77834441       5.25568921       0.60375049       4.16980356      -1.73383233 
Hf       5.40178754       2.08461609       2.88856914       1.67576212      -1.43926237      -2.11130201 
Hf       5.29235277       1.62638873       7.65955023      -1.20143094      -0.47481302       3.90350523 
Hf       1.72364339       9.07060628       2.55460787      -0.46520773      -2.69210441      -1.47740318 
Hf       3.53239791      10.69013393       5.27511690       0.64265398      -0.71224415      -1.52895833 
Hf       3.50325901       3.45846157      10.31346921      -0.65502109       0.85764761      -1.41810025 
Hf       7.38228077      10.76875407      10.24837594      -3.95451480       0.71250997       1.08094891 
Hf       9.14964856       1.84272295       2.52983380      -1.22691283      -0.75608952      -0.24885549 
Hf       5.47708156       5.30227496       7.92829493       0.22331103      -1.15385555      -1.02801088 
Hf       9.03583106       1.94332926       8.00074836      -1.86091854      -0.65208129       1.08488974 
O      10.59306125       9.16721147       1.52605697       3.19558867      -0.60908955      -3.09555698 
O       5.30022915       7.24032256       3.38547850       0.44740494       0.93836846       0.77326930 
O       0.01405337       5.26915914       3.97955415      -2.29601349      -1.82086907      -1.20349872 
O       0.17296697       1.57013767       4.17931292      -1.15150325       0.59349577       0.09233811 
O       1.80657045      10.66438524       3.66558210       0.27454279       2.54689222       0.56631779 
O       1.47160105      10.38782546       0.82075065       3.27144288       1.54030005       2.11240441 
O       1.97766581       3.46816168       1.16227690      -0.68755898      -1.67192613      -2.95791473 
O      10.50017529       2.06693847       9.58394418      -0.72076723      -5.06573403      -2.37766139 
O       1.41566015       0.00504798       9.04320666       0.45948789      -0.64822967      -1.24844325 
O       1.91804293      10.47565982       6.27360920      -2.98991179       1.32295493      -0.27662663 
O      10.73220672       1.36233445       6.79714761      -0.79472122      -1.55060100       0.38875003 
O       1.71639358       3.38911063       3.39876242      -0.13396479      -0.36210850       2.47302826 
O       1.73967749       7.69138097       0.55476386      -2.81912943       0.11862976       0.56373592 
O       2.48601544       7.61710838       8.75762839      -1.82673759       2.11102867      -1.38703200 
O      10.88569491       1.84297033       1.39790333       0.03620959      -0.56824069       0.73830810 
O       3.44705232       5.25302709       6.79637063       0.22732260       0.53038921      -0.47760147 
O       3.34550630       1.48138946       6.91772979       1.44126118       0.20289874      -2.63903412 
O       4.88553962       3.42072099       8.69550210       1.46352886       1.15151310       2.13523614 
O       0.12869476       5.31609530       1.13989084      -1.21470044       0.87845505       0.05396681 
O       1.77153283       7.44734516       6.22839003      -1.02618663      -0.37269567      -0.90067486 
O      10.68450670       9.01719502       6.80575029       1.81638327       0.99314832       1.29539557 
O       3.57384610       1.67551795       4.08303118       0.26494149       1.06276963       1.77430737 
O       5.35986890       0.04964832       3.57607252      -0.52295304      -1.00711163       0.91100999 
O       5.91441615      10.69675102       1.00505103      -0.70714407      -1.33202540       0.83529412 
O       3.82523163       1.15163139       1.47515735      -1.78908916       1.30801471       1.47352980 
O       3.32410967       1.66186130       9.40937146      -0.22646348      -1.08464166       1.98190779 
O       5.50876971       0.05678013       9.01256549       0.05032159      -0.50558372      -1.92699249 
O      10.87435183       9.08782418       9.49565088      -1.86600269      -2.49164707      -0.46896396 
O       3.24571062       5.31007520       4.15103797       0.00603835       0.81878550       1.08664851 
O       5.45928880       3.96578649       3.71214711       0.07112069      -2.06342380       1.17868567 
O       5.10765630       3.62662510       0.98459435       0.64479680      -0.54830541       0.23848701 
O       9.35286483       7.04977844       6.06082182      -1.71935682      -0.18615027       2.74853104 
O       3.18639867       5.42325210       9.33269237       1.00646634      -0.50664677       1.30980872 
O       5.26042841       3.57467514       6.53532993       0.77465753      -0.12298266      -3.80018479 
O       0.23857435       5.46063540       9.07257682      -0.78294700       2.08024891       1.38959409 
O       8.74725440      10.35555116       5.93291520       1.22082433      -0.00996411       1.60548663 
O       1.54746926       3.22667336       6.29104990       1.84624025      -0.81422047      -1.79233632 
O       7.20863934       2.09863758       1.79331861      -0.33309061       0.02903793       1.01832003 
O       8.83804086      10.85594181       0.95467212       1.85240748       0.29924171       0.26213615 
O       6.81593554       9.13262743       4.28719248       0.64518750      -1.52641015      -1.22046520 
O       6.89168149       1.70835078       4.33433146       0.14881083       1.50445808       1.47699222 
O       3.59857654       8.90437276       6.67726131       2.04340376       0.16956114       0.98904371 
O       8.94321419       6.88769450       9.00634912       1.15095135       1.54989638       1.01290730 
O       7.25413621       1.72383950       9.84888890       0.71699888       0.65480958      -1.56869999 
O       7.27093954       8.92584060       9.54870936      -0.42719116      -2.91533312      -0.94116410 
O       5.11388227       7.09195476       8.87110519       1.81366290      -0.99583096      -0.25386869 
O       8.92670328       7.32937961       3.80245130       0.25679662       0.00320906      -3.04876488 
O       5.45950868       6.82320803       6.11833853      -0.27204717       0.24373057      -0.26582559 
O       7.28741561       8.49893162       1.46480215      -1.35163617       0.21219234       1.20238671 
O       9.10777594       6.98502968       1.22026777      -0.61643157       0.44985335      -0.45378741 
O       6.87703058       5.37096361       9.81848943      -0.87140769      -4.70241583      -3.12271004 
O       4.16749521       9.06291539       9.71975346      -0.88349186       1.83344406       0.76742645 
O       8.66935538      10.69386159       8.64025840       2.06561498       1.93498061      -0.49132806 
O       7.66589633       5.30641458       7.04618380      -2.38966858      -0.92095974      -0.66260440 
O       5.43354362      10.65156256       6.38400369      -1.64319022       0.52700375       0.22021516 
O       0.31266671       5.26056536       6.37513794      -1.30219957       1.51157628       1.66086398 
O      10.55516904       9.01612922       3.98336719       1.55303028       0.97749517       1.79155116 
O       1.21613473       7.25206312       3.24535799       1.05173732      -0.96784517      -0.35681478 
O       3.30924260       8.77921667       3.96449487       0.74504944       0.56609681       3.16444976 
O       3.12387935       5.62338459       1.33466163       3.07269208       1.11392863      -0.72273976 
O       5.21354604       6.47258283       0.73957634       0.85304832       3.81622011      -3.23887312 
O       9.04320544       0.00929967       3.55845124      -0.29780322       0.85327624      -0.87402945 
O       8.74036374       3.63762460       8.97482361       0.93217652       2.10853535      -0.48763149 
O       7.25654336       5.38456022       1.74467786      -0.94826599       0.79112298      -0.58508106 
O       8.80800345       3.77931394       1.01406060       4.14924187      -0.31847317       1.00588175 
O       8.86105832       3.45657396       3.88566011       2.44575225      -1.15808454      -1.41686394 
O       7.61670980       5.40661169       4.22102419      -0.86852610       1.80422335       1.01119155 
O       3.59199527       9.21678145       1.72968438       1.55255927       0.38229419      -2.06406260 
O       9.33568878       3.24303626       6.47214659      -0.92083403       2.15724815      -1.05148102 
O       7.13449308       1.92565318       7.13862889       1.70974396      -0.68436208      -1.25804464 
O       1.57873254       3.48940942       8.81957155      -0.50363494      -0.92350012       1.62798835 
O       7.15704874       8.43938171       7.08923912       0.53523265       0.50501598      -1.01444301 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00963862942419488 -0.0023435681255448266 0.00794159895657866 -0.0023435681255448266 -0.013314444333452104 -0.002703861455572177 0.00794159895657866 -0.002703861455572177 -0.017481784889617585" pbc="T T T" energy=-1060.31810348 free_energy=-1060.31812226 config_type=crystal 
Hf       1.81937242       1.77501881       2.41122638      -1.73102900      -2.35146316      -0.32001435 
Hf       3.72507385       7.08807075      10.51745651      -0.46489658       2.49261024      -0.91837599 
Hf       5.57492948       5.54744647       2.83637607      -3.90650954      -2.81374162       0.73880715 
Hf       9.04164618       5.30994055       7.82395365      -1.76925244       1.13677608      -1.82528635 
Hf       0.05754573       7.23648938       5.22479581      -1.37669746      -0.65601846       1.09135000 
Hf      10.90350520       0.07668072      10.24085730      -1.00832125      -3.06501897       1.67715302 
Hf       7.19784012       3.27222907       5.34376153       1.50398064       3.17921688       1.56517647 
Hf       7.16118354       7.08445472       5.05216831       1.54163345       0.56066839       1.36455081 
Hf       2.01336243       5.40979496       2.40142496      -0.49852998       1.55567849      -1.03108773 
Hf       0.20928425       3.64503567       5.03713795      -2.74524940       2.46869924       0.50891758 
Hf      10.71035476       3.60817520       0.03263645      -0.58611544      -0.30192279       0.37086976 
Hf       1.84184406       5.28459592       7.54452138      -0.98489122       0.06676734       2.22628953 
Hf       8.95632720       9.20757414       7.90061542       2.08700513      -0.82166300       0.53421334 
Hf       1.80855359       1.61992294       8.15628273      -3.79652377      -0.51667999      -1.24792768 
Hf       7.19697734       7.10188090      10.37094861      -0.69119744       3.06855825      -0.07406294 
Hf       9.14473524       9.17236342       2.56266391       1.29633295      -1.02005398      -1.26049201 
Hf       5.66349078       9.36363469       2.47333950      -3.13133967      -3.33606474      -0.52482501 
Hf       5.52817169       8.99553906       7.93573183      -0.71177249      -1.35600194       0.11913156 
Hf      10.58746426       0.05338771       4.86201656       4.26537830       0.13235031       2.51658188 
Hf       3.67366523       3.57089554       5.29866407       4.54828520       1.26125657      -2.39762887 
Hf      10.95573706       6.87657832      10.45441251      -0.47778855       3.44019378      -1.05412949 
Hf       1.64011802       8.75841342       7.81393369      -0.83701458       2.04550004       0.70426217 
Hf       7.02444192       3.74080492       0.16454404      -0.69743359      -2.80497557      -0.20675413 
Hf       9.00780035       5.37730329       2.41225782       0.60383579       2.92343219       2.82856019 
Hf       3.60744410       7.23806727       4.94852684       3.20509286      -0.76141766       0.67243729 
Hf       3.51855161       0.00869797      10.59092405      -2.78056591      -2.89939018       1.88769201 
Hf       7.17214830      10.85225906       5.40077570       0.33873944      -1.28414119      -0.82602357 
Hf       5.09763376       1.70787431       2.60646389      -0.02032068       1.92285118       0.62928499 
Hf       5.19016638       1.43582982       7.96277732       1.96333010       2.75221195      -1.92442801 
Hf       1.75672689       8.90515107       2.80625625       0.49595475       4.70616043      -3.11773824 
Hf       3.33154496      10.61049739       5.63956171      -0.88142505       0.92425622      -3.31292092 
Hf       3.59657520       3.72154274      10.25520379      -0.85861895      -0.79627036       1.69929058 
Hf       7.11059399       0.12058163       0.01259909       4.64167052      -0.23714190      -2.11843768 
Hf       8.85187643       2.04333048       2.75505051       2.01135829       0.01654339       0.28035148 
Hf       5.46203897       5.08361621       8.03207765      -2.44599099       4.55186430      -2.73675457 
Hf       9.07503941       1.91528563       7.68062690       1.30148861      -3.98807837      -1.93930238 
O       0.10053751       8.81794679       1.75480251      -2.12130348      -0.74271900      -1.19309347 
O       5.62354137       7.37205980       3.57018119      -1.18758800       0.81166840      -0.13597868 
O      10.80971604       5.59585205       4.01724671      -1.35969646      -0.63473199      -0.12269650 
O      10.47969173       2.04105306       4.24537683      -0.34109673      -2.31755231      -1.17844967 
O       1.61363540      10.88137288       3.65934340      -1.19923679       1.59423268      -0.61175264 
O       1.67869870      10.86677269       1.04812920      -0.49178385       2.72751419      -1.29057796 
O       1.81797433       4.01632761       0.79301417      -0.92317297      -0.53530434      -1.85575980 
O       0.00879679       1.89834667       9.47899651       1.63605953       1.63412165       0.26128113 
O       1.82916062      10.69348690       9.14587632      -0.15848321       1.60048496      -0.98845982 
O       1.48870566      10.47591235       6.16261087      -1.49802365      -2.18007061       0.77547801 
O       0.23673111       1.41004355       6.64472063      -1.22924780       1.83315791       1.67566863 
O       1.36353665       3.80683224       3.27676318       0.40348639      -2.36999400       1.04196704 
O       1.75511209       7.19084417       0.72219314       0.64867517      -1.06682331       0.80647779 
O       1.41114102       6.73599027       8.86796166      -0.14982609       1.95266340      -2.11047306 
O      10.82598559       2.12504318       1.63416910      -0.53089353       0.75802741      -0.94309914 
O       3.62835659       5.31545887       6.81456205       1.81979155      -0.78154862      -2.41782996 
O       3.18173897       1.16209229       6.94920895       3.81594134       2.60442141      -0.31052654 
O       5.44711175       3.64062829       9.19031553      -0.19684466      -2.76942510       2.06859399 
O      10.54310736       5.61306655       1.20194953       2.73916568      -3.79987108       1.54438578 
O       2.05060614       7.45125876       6.00715069      -3.67684749      -1.17788882       3.00467066 
O      10.63130010       8.54723400       6.86433915       0.69529468      -1.60310064      -1.11379946 
O       3.18243490       1.91978559       3.80601999       2.38239359       0.06180393       2.03266392 
O       5.39042880      10.79250887       3.86000181       0.11872533       2.16617407      -0.94722219 
O       5.44724563       0.03078494       0.89526972      -2.12583160       0.41297528       2.81606128 
O       3.51523589       2.01048670       1.22933632      -0.02794539      -2.14770984       0.94869584 
O       3.50156433       1.79362714       9.44893462       0.70009440       0.20212054      -0.11524405 
O       5.07294967      10.94150948       9.13816328       0.87569745      -3.67593780      -0.34712398 
O      10.53505635       9.39903922       9.01106350       3.78882439      -0.66911576       3.80702612 
O       3.63289434       5.39707712       4.06870084      -0.93786460      -0.69185209       0.15788776 
O       5.07558426       3.50573419       3.67299816       1.22247983      -1.63505066       0.24954841 
O       5.23307106       3.68141562       1.22183204       1.16395152       0.37630253      -1.73015081 
O       8.88677994       6.58821782       6.12460178       0.18394614       1.23000232      -2.23974414 
O       3.53334385       5.41709527       9.20054329       0.47932348       0.10802804       2.20226637 
O       5.49604004       3.34442681       6.50084903      -4.31755808      -0.65813121      -0.47344890 
O      10.42518870       5.26916582       9.25743894       1.68642088      -0.93685861       2.10894839 
O       9.09084212      10.68103190       6.16162769      -0.03913021       0.93807425       0.40541511 
O       1.94565358       3.38017459       5.93905760      -2.20076946       0.72404508       1.25456077 
O       7.24444804       1.76347403       1.64041003      -2.22692512      -1.17055424      -1.18256495 
O       9.43906314      10.63341669       0.94075185      -1.84810545       0.63551079      -0.41887034 
O       7.57436749       9.06330915       4.48402828      -0.88418153       0.50250528      -0.53767796 
O       7.20371561       1.70599524       4.22822715       0.25322436      -1.15706478      -0.53365609 
O       3.41960063       9.36152643       7.07759951       2.62989887      -1.77191567       1.53786223 
O       8.42148377       7.24942765       8.56405655       0.87814814       0.15190716      -0.68679318 
O       7.07665186       1.74828869       9.46340770      -1.89687610       0.13954091       2.08734168 
O       6.89658507       8.97794000       9.47899726       0.42550949       2.97995105       0.40481121 
O       5.40305154       7.02603383       9.09812479       0.71322977      -0.80586875      -1.78609152 
O       8.27184552       7.34175978       2.93891053       2.31732940      -2.90973805       2.09113856 
O       5.31834555       7.39372321       6.12864675       0.41539392       0.82389116       0.69977905 
O       7.36232091       9.09625855       1.63261780       0.35569641       2.27308082      -1.66459131 
O       8.96207757       7.03673718       0.36086295       1.63350063       1.49568604       1.41428935 
O       7.67766954       5.26504089       9.71480152      -2.22968755      -1.57398452      -0.25202429 
O       3.22130525       8.68042686       9.42544814       0.31090718       0.86160875       0.14695096 
O       9.01956721       0.35387201       8.93197057      -0.38084462      -2.40482932       0.31811016 
O       6.97468908       5.16224841       6.95880141       3.08256499       0.13511873      -0.04217224 
O       5.38189419      10.94665212       6.40178006      -0.26728859      -0.36509636       1.48797662 
O      10.94286233       5.28456809       6.61013886       1.85975108      -0.34606789       0.21839064 
O       0.04665229       8.92365641       4.15610588      -2.00444074       0.51062943       1.14635511 
O       1.71538421       7.07707422       3.43103567       1.16013024      -0.54004481       1.88687726 
O       3.35335343       9.06060028       4.39724653       0.29341591      -0.95434534      -1.54435611 
O       3.75814728       5.89493825       1.48642590       1.02300812      -2.31221702       1.56628048 
O       5.22857746       7.96903263       0.93648665       1.38429463      -1.77672181      -1.00143452 
O       9.02047283      10.94321928       3.52890602       0.37442265       1.15437892       0.06032183 
O       9.02473340       3.33039381       8.79575143      -0.01418384       3.61202151       3.25059770 
O       7.11993595       5.45558490       1.81092725       0.48831910      -0.51395002      -4.27580415 
O       8.75168611       3.63371232       1.25569390       2.18834956      -0.05271461      -2.21986650 
O       8.68238185       3.84935697       3.72432667       0.84905015      -1.59326147      -0.75560441 
O       6.88623242       5.08966600       4.42021527      -1.61744324       2.80687332      -0.50483780 
O       3.54232273       9.47406449       1.78319077       0.58321745       0.68161257       0.03059626 
O       9.16911902       3.39818078       6.24643722      -0.86021044       0.74492112      -1.04321453 
O       7.15449106       1.70242008       6.94015655       0.61988252      -0.83476545      -0.83177097 
O       2.18461522       3.58052685       8.57241924      -1.40364646      -0.22549381       0.32351652 
O       7.32013899       9.23244075       6.93307296      -5.13079705       0.26018790      -0.99100940 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.002553950386541554 1.651101985671916e-05 0.0003829508133089843 1.651101985671916e-05 -0.01724529643692077 -0.010051560958341005 0.0003829508133089843 -0.010051560958341005 -0.011085256493838859" pbc="T T T" energy=-1067.23078333 free_energy=-1067.23078354 config_type=crystal 
Hf       1.76991605       1.81275763       2.36850004       0.18773306       3.47753980      -0.98780876 
Hf       3.73160900       7.13256909      10.54280965       0.96460508       1.34956395       0.12609256 
Hf       5.48253315       5.48727929       2.97933835      -1.30335205      -1.30381027      -3.83393874 
Hf       9.04798499       5.38444442       7.92502821      -0.71520772      -1.21482442      -2.38202883 
Hf       0.05233846       7.23161857       5.21620173      -0.35386137      -0.40680875       1.97371327 
Hf      10.87442371      10.88721571      10.44897610      -0.49843763       1.80638325       0.00342988 
Hf       7.22644295       3.20378551       5.37864655      -0.42558968       2.60972619       0.11058340 
Hf       7.11646586       7.15041149       5.06229923       2.32435337       1.80796606       2.04838092 
Hf       1.89259532       5.38033515       2.30899581       0.53089649      -0.10272118       0.07783954 
Hf       0.08239602       3.78049160       5.01955599      -0.70001655      -0.13355358      -0.27074253 
Hf      10.65764062       3.57379932      10.62157692       1.50409705      -1.15229704      -0.25874620 
Hf       1.91149902       5.36046502       7.53551001       1.11787016      -0.29239657      -0.05041537 
Hf       9.05226890       9.04167160       7.98495675      -0.62958580       3.87761347      -1.09921638 
Hf       1.71645713       1.56411417       8.05811966       1.28835298       3.85526679      -1.71019049 
Hf       7.22258775       7.16814476      10.27925711      -0.76325423       1.29142875       1.27081132 
Hf       9.23940592       9.11183349       2.53919657      -1.00927077      -0.42329709      -1.70802585 
Hf       5.59182046       9.36811055       2.48800667       0.07389496      -0.18271514      -0.70506537 
Hf       5.51016649       9.08557700       7.91310013       1.61232670      -4.39267428      -0.47904877 
Hf      10.55604837      10.94343511       4.84140172       1.87775423       0.85133377       2.09919001 
Hf       3.77587672       3.50833218       5.13310517      -2.21603583       0.58023314       1.07478716 
Hf       0.00120801       7.00918810      10.49688918       3.16827857       0.35413588      -0.50830941 
Hf       1.62714940       8.80591392       7.84610927       0.25378827       0.99644019       0.12078669 
Hf       6.98997938       3.81522837       0.28908967       0.59339287      -2.67648773      -3.72705283 
Hf       9.06482108       5.39317164       2.45616452      -1.17485394      -0.09591791      -0.26737840 
Hf       3.71138181       7.14454565       4.96053017      -1.21207069      -1.47995260       2.39169167 
Hf       3.33095520      10.90577901      10.53447386       2.15988009      -1.01427781       0.66998971 
Hf       7.20650478      10.81182496       5.51617124      -0.51465069      -0.17072806      -2.01867430 
Hf       5.23777918       1.69518781       2.66200308      -0.85603650      -1.05560834       1.47351651 
Hf       5.21826479       1.50017977       8.05207856       0.48923657       1.34886391      -0.07323924 
Hf       1.83665672       9.02430623       2.70641189      -1.13124533       0.03813042      -0.20129860 
Hf       3.38545495      10.54325867       5.55616605      -0.04816248       2.53024371       0.39887537 
Hf       3.51292395       3.65365443      10.15247196      -0.39652101      -0.85036818       1.40770239 
Hf       7.11762632       0.04571008      10.61582886       0.46613529      -0.81623132      -0.32534040 
Hf       8.85885616       2.01709700       2.70103702       1.52095821      -2.59283060      -1.29785187 
Hf       5.44416448       5.19276032       7.95179235      -0.41196984      -0.74953324      -1.24050743 
Hf       9.09071854       1.86051111       7.68550518       2.39220132      -1.02757417       1.47008781 
O       0.12889515       8.78203324       1.43806055       0.70399102       0.22119295       1.22361695 
O       5.25531820       7.46700001       3.56146551       0.61878780      -0.51321913      -0.19533058 
O      10.30745892       5.83272077       3.84571590       3.27987826      -1.58207508       2.70889987 
O      10.28522394       1.79965666       4.14186929       0.99891640       1.82382901       1.36475240 
O       1.25742319       0.42170981       3.44179180       0.07513399      -5.07114300       2.12935108 
O       1.59216065       0.31662632       0.86688934       0.52553681      -1.11053190       0.39892252 
O       1.74474278       3.92869363       0.64849283       1.37688251       0.15960064       0.75262837 
O       0.40748267       1.91266243       9.63854078      -1.46580782      -0.99327134      -0.01185254 
O       1.84415621      10.91483743       9.01960327       0.48874863      -3.23605926       0.06047968 
O       1.38156979      10.09043338       5.96619758       2.03670987       1.39451733       1.03068169 
O       0.18956575       1.49023567       6.89457260      -2.02740692      -0.19576579      -0.65205568 
O       1.48246151       3.66405825       3.45190423      -0.71157468       0.65683929      -1.30186838 
O       1.91013905       7.08747551       0.74987106      -0.63649858      -0.07785184       1.60043823 
O       1.41999346       7.01229292       8.71067532      -1.30079709      -0.72485902       2.28395513 
O      10.78837539       2.20573894       1.56800092      -0.07205002      -1.06345839       0.91269045 
O       3.79845090       5.36730189       6.52904777      -0.70416188       1.06171352       1.67350419 
O       3.54634841       1.56256203       6.78982167      -3.17129705      -1.49480757       0.86096361 
O       5.23197568       3.45957218       8.95827118      -0.11626267       1.66698996      -1.20137228 
O      10.83226984       5.36756473       1.38273192       0.23524099       1.20937063       0.22832005 
O       1.85189860       7.25267326       6.50175197       1.79210902       0.43378114      -3.43467147 
O      10.65099208       8.40584331       6.93287760      -0.74321204       0.15942413      -0.53793631 
O       3.46678999       1.92628677       4.10576310      -0.13516502      -2.51206287      -1.10290648 
O       5.52940139      10.92204440       3.84480394      -1.42268695      -1.31369362      -0.87498838 
O       5.17891117       0.27240637       1.10795442       1.77221548      -3.00492471      -1.39838161 
O       3.62256492       1.83602061       1.55642286      -2.23181549       1.02577015      -0.84091551 
O       3.64145131       1.68165638       9.60356382      -0.40097861      -0.17098597      -0.98444934 
O       5.12796960      10.51266206       9.00164579      -0.83306244       4.31967444       2.84877138 
O      10.93806481       9.34763466       9.28269834      -0.72285782      -2.88571258      -0.88420239 
O       3.52884477       5.26842016       4.06998419       1.28676120       0.53598879      -0.06129022 
O       5.46641600       3.54242232       3.69677874       0.28440856      -0.13356543       0.05507544 
O       5.15001779       3.94934076       0.74078093      -0.48962880      -0.54818201       1.93743713 
O       8.84288111       6.53965174       5.98871915       0.93551639       1.23991486      -0.07568782 
O       3.63179195       5.55683653       9.38038342      -0.21402013      -0.90861953      -0.73194464 
O       5.13436002       3.32974314       6.46659580       3.91949597      -0.38297162      -0.09122060 
O      10.56185166       5.26370667       9.53797630      -0.49940892       1.50580942      -2.11916480 
O       9.07136400      10.76754606       6.25933169       1.18832337       0.47532959       0.70111104 
O       1.78521501       3.70292268       5.93410671       0.90403850      -0.09723898       0.58021109 
O       7.00954516       1.62886939       1.75932654       2.72117510       1.61236702      -1.32483263 
O       9.35186871      10.56019401       1.01205565      -0.13879098       1.64248716      -0.80666741 
O       7.39326931       9.08603211       4.58996220      -0.34976603      -0.90843347      -3.49609201 
O       7.19343329       1.58321464       4.28870711       1.05960096       1.27520397       0.63344736 
O       3.79671514       9.37065508       7.04539842      -3.29509739      -0.11643648      -1.89466119 
O       8.74104925       7.21941413       8.49171281      -0.73036734      -1.13617566       1.80298645 
O       6.51440232       1.63628276       9.70297133       1.24992377       0.94154238      -0.01839690 
O       7.21099214       9.19528118       9.51910451       0.32120072      -1.74059181      -0.38186642 
O       5.62758238       7.00498450       8.93414664      -0.32691285       2.02546664      -0.77989008 
O       8.51793919       7.20872392       3.16577675      -0.53565054       1.80947627      -0.78568875 
O       5.34852846       7.49686453       6.06569182       0.42173460      -0.64186808       0.81903391 
O       7.31446652       9.56796541       1.41380793      -1.23338049      -1.78667118       3.28208919 
O       9.18969263       7.35193681       0.39360824      -3.33176292       0.15382962       1.20529115 
O       7.22326878       5.24545178       9.47795540       0.90394797       0.03055072      -0.22008886 
O       3.27807661       8.78254335       9.33591349       0.02458807      -0.42810176       2.34969354 
O       8.86680277       0.06908996       8.89397880       0.85072817       1.14078886       0.44882245 
O       7.14326105       5.07502276       6.91047932       0.34358413      -0.91656409       0.41689922 
O       5.52247446       0.21140917       6.48547769      -1.04343637      -1.78130092      -0.16218000 
O       0.16663528       5.42033583       6.53524352      -1.84081198      -0.13016861      -0.08842422 
O       0.00891643       9.06185682       4.09528312      -1.09816857      -1.42001095      -1.12228196 
O       1.84060636       7.06813806       3.86016964      -1.88796971      -0.04323151      -2.36615412 
O       3.18738624       8.95338629       4.29370136       0.56571902       2.08731620       0.32436107 
O       3.80166484       5.77344530       1.79529645      -1.30831036       0.49113761      -1.92610393 
O       5.44457390       7.66741110       0.89272259       0.86038497       0.26399395      -0.75997073 
O       8.94856225      10.80297207       3.55990018       0.61720302       0.12949167      -0.25398998 
O       9.04553129       3.34077430       9.15063747      -0.26751397      -0.82394778      -2.26272918 
O       7.11144253       5.46238880       1.34199596       0.29627196       1.61524896       2.31123832 
O       8.97903176       3.59946090       1.03321480      -3.12310136       0.46011410       1.85281371 
O       8.71721612       3.62864933       3.70004397      -0.52299048       2.53988497      -0.11356457 
O       6.99603301       5.38226779       4.22691649      -0.02175304      -0.79374713       0.12738229 
O       3.62634616       9.58706544       1.87301134      -2.19028500      -1.13916940      -0.83642651 
O       9.39567486       3.33693027       6.16760990      -2.33755253       0.06058755       1.42711778 
O       7.25693142       1.77413696       6.96113713       0.44445904       1.16200957      -0.24933098 
O       2.05941652       3.59223268       8.60191928       0.26504338       0.43385206      -0.32362646 
O       7.14798846       9.17005828       6.81765839       1.92617936      -0.55159389       2.71283155 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017637966022678343 -0.005030213994744118 -0.003017054572664003 -0.005030213994744118 -0.011072894092750953 -0.012279520968279006 -0.003017054572664003 -0.012279520968279006 0.013001297004071226" pbc="T T T" energy=-1059.52758707 free_energy=-1059.52758819 config_type=crystal 
Hf       1.54454335       1.79917613       2.94210933       0.73290611       0.41263434       1.31609325 
Hf       3.39287939       7.28831411      10.60760999      -1.23354810      -1.06974185      -0.99250048 
Hf       5.40094579       5.58713622       2.61614160      -0.17255145      -0.37286541       1.20370744 
Hf       9.14092288       5.38452878       7.69220443      -1.54165164      -1.03596276       1.69735827 
Hf      10.82439565       7.04912119       5.21464969      -1.83530080       1.10824310      -1.31025193 
Hf      10.63319406      10.57100857      10.37989015       3.71501176       0.76579048       1.24121686 
Hf       7.31485908       3.29619630       5.15161291       0.46542895       3.53655444      -0.31257831 
Hf       7.13791639       7.27114179       5.39089913       0.14829706       0.41079891      -2.19453852 
Hf       1.76739387       5.37754937       2.94709390       1.14037846       0.83947141      -1.55992322 
Hf       0.09361727       3.67217423       5.52571896      -0.01067563      -0.20024351       0.05912667 
Hf       0.09305183       3.21099642       0.02425804      -3.55488301       2.23402841       4.15164848 
Hf       1.51489521       5.16788889       8.38144544       1.45227058       2.69985870      -2.36772208 
Hf       9.23091130       8.84501731       7.84333042      -1.73227378      -0.87051886      -0.96799709 
Hf       1.95060076       1.83480910       7.49494783      -1.36701389      -1.18363921       0.30459688 
Hf       7.47579384       7.45611128       0.22615674      -2.62181857      -3.38115051      -2.25089616 
Hf       9.00513520       8.66649915       2.79144995      -0.02591081       2.32082057       1.47066350 
Hf       5.18927730       9.21944124       2.23028520       1.19653489       0.25062209       1.52108547 
Hf       5.34279168       8.86807936       8.11131876       1.38888567       0.19995378      -2.53269689 
Hf      10.89316329      10.67964794       5.00390627      -1.18956910       2.22330540       2.71561081 
Hf       3.76074078       3.91644822       5.32853060       1.28584898       0.71427417      -0.58447638 
Hf      10.68314005       6.91142278      10.57056250       1.27540772       1.64404170      -1.25938906 
Hf       1.71825610       9.16671133       7.73387819       0.22885973       0.41592679      -0.99599991 
Hf       7.11863350       3.77923802      10.13940775       3.59213299      -0.28151739       2.01034598 
Hf       8.82371611       5.20690496       2.38147549       1.72211829       0.58206716       0.49518896 
Hf       3.52029066       7.62204121       5.52451427      -1.51895353      -1.52550872      -2.59673333 
Hf       3.34290107       0.17123636      10.09488287      -1.14502199      -2.38602588       3.22522521 
Hf       7.58795940       0.00099393       5.02031819      -0.52091562       3.83417584       2.21122166 
Hf       5.51994362       1.79593677       2.31987162      -2.97682934      -0.79490972       2.34389400 
Hf       5.39560113       1.65373545       7.94628844       0.67207210      -1.09576640      -3.52135557 
Hf       1.66363201       9.16558976       2.27336241      -0.96433820      -1.50322987      -2.04826689 
Hf       4.01338198       0.03227210       5.03089734       0.48882020      -0.14245363       0.77918685 
Hf       3.42980264       3.60593721       0.29553201       1.36685067       1.16141923       1.06690152 
Hf       7.31141802      10.58382862      10.48599754      -2.66188151       2.42535544       0.51187067 
Hf       9.00040297       2.02792920       2.15534331      -0.27002955      -4.04276149      -0.26188110 
Hf       5.33738938       5.14223322       7.89557525      -0.07573724       3.40399860      -0.02380177 
Hf       8.93477171       1.59908681       8.08199601       1.23932971      -0.44313704      -2.60480963 
O      10.67804387       9.03370209       1.43910516       0.93915761       0.37719601      -0.21645451 
O       6.27128123       7.35221027       3.42792308      -1.48480904      -1.02689221      -0.50424002 
O       0.01732330       5.23156516       3.85384741       0.23200415      -0.63566485       2.55420722 
O       0.19086196       1.87662837       4.58343876       1.06520573       0.09140455      -1.17940516 
O       1.27796689      10.64530318       3.50139136       1.49633513       1.66025033      -0.82445097 
O       1.47645696      10.77334354       0.80032203       0.20672124      -0.88619057      -1.48450731 
O       1.47190025       3.60977642       1.78111567       1.31068861      -0.37577345      -2.46568415 
O      10.46954045       1.67875260       9.70232073      -0.97209886      -3.41981180      -0.73450097 
O       1.93112012       0.07798119       8.66837583      -1.21567530       0.72362793       0.13637251 
O       1.67124500      10.88849285       6.21207834      -0.88294141       0.73781656       0.15593439 
O      10.73214186       2.24941766       7.19849875       2.27646196       1.16322110      -1.07140381 
O       2.13501237       3.64922284       4.24841800      -2.50833194       0.68258406      -1.09459174 
O       1.56216170       7.25383963       1.09142834       2.90964136       1.21502778      -2.29448106 
O       1.16856860       6.92916175       9.07303238       0.79206026       1.57020406       0.14194508 
O       0.00653821       1.69412102       1.59326127      -2.00598754       0.35521486      -0.36165255 
O       3.64751929       5.70650447       6.96750879       1.08623883      -0.39891732      -1.18635449 
O       3.60591114       1.91776366       6.45593492       0.61786969      -1.45198318      -1.02908598 
O       5.44448078       3.44555025       9.07685149       0.11555949       0.23304446      -0.83568301 
O      10.79227869       5.68742043       1.29576810      -0.04740786      -3.57839428       2.67075738 
O       1.49490851       7.46183918       6.15236611       3.60931690       0.75111675       1.09862875 
O      10.57707063       8.86198005       6.42326297       1.25700972       0.80978447       0.69942679 
O       3.36969792       1.56723805       3.69393729       0.76016520      -1.72878025       0.58546368 
O       5.45854477       0.00624119       3.65803721      -0.50474352      -1.31114724      -1.68208714 
O       5.39925594      10.91646363       1.02595200       1.32648705       0.34461102      -0.54036753 
O       3.42312222       1.56887608       0.94021434      -0.36407132       2.70955325       0.03795235 
O       3.65435057       1.81027511       8.91406888      -1.55678839       2.42305480       0.93149746 
O       4.77636724      10.72457543       8.77037480       3.10044692       0.18996850      -0.16205751 
O       0.14384045       9.17201447       8.95663973      -2.19384814       0.94512772       1.65605579 
O       3.86407065       5.81256885       4.29921133      -0.82146142       1.32630032      -0.34775472 
O       4.83462785       3.80031024       3.52550495       0.53769850      -1.47171663       0.83400947 
O       5.37027842       3.49625363       1.17720767      -0.36195977       1.40408791      -2.75342539 
O       8.87592528       7.05213135       6.38904981       1.74890078      -0.10695069       0.67788906 
O       3.33210536       5.38226614       9.50703826      -0.15309158      -1.92191767       1.29786992 
O       5.59437540       3.21103006       6.18206385      -2.89331645       1.21340470       1.61494892 
O      10.32726047       5.15924022       9.41212267       2.16938522      -0.04520083       0.01839023 
O       9.30115733       0.24450439       6.28476040      -0.63453560      -0.78514589      -0.02115053 
O       2.08568506       3.96155659       6.75876331      -1.27084394      -2.86847351      -0.34595157 
O       7.13176229       1.75942612       1.35525054       3.59918802       0.10736321      -1.22036359 
O       8.99185357      10.62200535       0.70260379      -0.20935006       1.01407611       1.79867083 
O       7.38512385       9.31234166       4.24635671       1.58033767      -4.11652323      -0.60264904 
O       6.87800107       1.83176388       3.94967220       0.63079313      -0.64380289      -0.20468341 
O       3.60994755       9.49048490       6.62972268       0.09610976      -2.31371377       0.46408355 
O       8.95855094       7.25472674       9.18595211       1.05562413       1.69000345       0.28235545 
O       7.42377081       1.42322012       9.43790671      -3.05189027       2.00324869      -0.16673731 
O       6.88398151       8.87244182       9.64996302      -2.32028335       0.57577366      -1.67014671 
O       5.05468810       7.07016416       8.82867677       0.64373202      -0.35465553      -0.27665828 
O       9.07185494       6.77703134       3.73139856      -0.22358905       2.19452713       0.92085298 
O       5.37051233       7.59439944       5.99775093      -0.22002353       1.15427539       2.24559027 
O       7.16058633       9.00818371       1.45356762      -0.03322551       1.01528157       1.37858865 
O       9.01751066       7.36889648       1.35909260       0.89030038      -0.99847582      -1.25973954 
O       7.41116812       5.46741771       9.27665309      -2.61894040       0.05022727      -2.61838493 
O       3.13209405       8.79866270       9.21534385       0.10412114      -0.06993391      -0.79351209 
O       8.56586709      10.45260412       8.74598772       2.40701977       1.73487989       1.58921037 
O       6.70841752       5.40552179       6.47123005       0.90703797       0.89612195      -0.15758558 
O       5.78672441       0.00759119       6.22151349      -1.59030428       1.50855234       0.20900963 
O       0.12048982       5.37068280       6.88482602      -1.39074639       1.13170573      -1.26063705 
O      10.51784425       9.02926031       4.12657734      -0.65525941      -4.31719647      -1.75079048 
O       1.71041007       7.35206412       3.41555528      -0.51421018       0.13849094       2.04607768 
O       3.81816217       9.00206960       3.97577075      -0.39855025       0.59893792      -0.63121647 
O       3.54037279       5.26262005       1.48132727      -1.07573113      -0.22969408       0.39415691 
O       5.13044708       7.14519829       0.97390413       1.25198064       0.77654807       0.96496369 
O       9.21238240       0.20029781       3.63386654      -0.69599705       0.69444022      -1.21795225 
O       8.77309095       3.57428906       8.59172139      -1.90692002      -1.49939482      -0.37307993 
O       7.55917097       5.56365697       0.87365990      -2.52456725      -1.86524866       2.01184015 
O       9.15645213       3.74961694       0.67110496      -0.81825234      -2.59922615       1.74374338 
O       8.88667356       3.31551491       3.46167749       1.42186067       1.38411366       0.27990232 
O       7.17315154       4.93793154       3.45800017      -1.26432950      -0.05875616       0.63257634 
O       3.65120368       9.35041956       0.93139791      -1.66585933      -1.75209728       1.82411694 
O       9.10913010       4.36705579       5.76170125       0.11679438      -1.17677363       0.98833412 
O       7.48346304       1.99963565       6.61244014       1.47884867      -1.08832987       1.70402213 
O       1.34782520       3.54103256       9.30981674       3.71591941      -3.27652716       0.14401774 
O       7.31448329       9.11643435       7.17506128      -1.06751495      -2.10878321      -1.46676975 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.032215169975597244 -0.004475460225115276 -0.010566252659177487 -0.004475460225115276 -0.014252375820212692 -0.0008044066323702032 -0.010566252659177487 -0.0008044066323702032 0.005400755420884494" pbc="T T T" energy=-1061.7953645 free_energy=-1061.79536669 config_type=crystal 
Hf       1.52887825       1.83207733       2.84596790       1.83843553      -0.81688446      -1.03926767 
Hf       3.41442666       7.22572128      10.49708040       1.92377096       0.22521788      -1.60837507 
Hf       5.37575587       5.72322913       2.78307833      -1.36843637      -4.39546785      -2.62080789 
Hf       9.05340953       5.46350105       7.72101582      -1.66639533      -3.28152870      -1.93287379 
Hf      10.72466088       7.14557036       5.18362959       3.03709541      -2.37151637      -0.03968742 
Hf      10.73954154      10.63167359      10.36835311      -0.20393738      -0.08120342       1.50656403 
Hf       7.34322361       3.22340343       5.21554252       0.74863068       5.73135050      -0.05686151 
Hf       7.14252229       7.38691329       5.29476949      -0.00280455      -0.70394097       0.47013773 
Hf       1.93796006       5.51159723       2.90580172      -4.72714825       0.05489681       2.27571413 
Hf       0.24537463       3.63156023       5.49730222      -1.36257540       0.57595629      -0.58419313 
Hf       0.06126694       3.30716545      10.60045678       0.29570419      -2.22503248       2.48756760 
Hf       1.53860542       5.20095968       8.43172933       1.78633815      -1.07079047      -2.17193466 
Hf       9.06160560       8.82566628       7.83833904       1.17741387       0.79433170      -2.05913262 
Hf       1.89839827       1.79301382       7.51975975      -0.33538650      -1.60988429       1.85254786 
Hf       7.52597221       7.31063795       0.13821601      -6.14567718      -0.19141399      -2.40817080 
Hf       9.13444755       8.54777501       2.72951604      -4.68379245       2.77644919      -2.02767409 
Hf       5.14652249       9.21059482       2.26464578      -0.21868903       1.53617265       0.91545977 
Hf       5.34104463       8.90126870       8.01211320      -0.71204444      -1.17892850      -0.41786850 
Hf      10.77219908      10.61901448       5.09891104       2.55996492       0.94178196      -0.68817569 
Hf       3.77186857       3.91801767       5.29800974      -0.74929936      -1.12310240      -0.28716164 
Hf      10.80025060       6.79650398      10.56258735       2.76734532       1.87932441       1.77420554 
Hf       1.72159560       9.16773637       7.65715860      -0.17113551       1.39289628       0.62584765 
Hf       7.03674584       3.99205580      10.08876439       1.75137345      -2.22818912       0.72923237 
Hf       8.81540182       5.22127353       2.49432476      -0.33779760      -2.63669731       1.21442390 
Hf       3.49243174       7.56815818       5.53429284      -1.54630613      -0.83248453      -4.08626050 
Hf       3.25906324       0.15558429      10.14291468       2.15359375      -0.40503556      -0.10455427 
Hf       7.68340423       0.05654742       5.07528490      -1.74831347      -0.78140744      -1.84192077 
Hf       5.52579489       1.81436038       2.29727128       0.07013349      -2.44588984      -0.22612066 
Hf       5.43314493       1.51824315       7.85388342      -0.84367728       3.72269313       2.77807666 
Hf       1.62148033       9.13535734       2.29355527       2.57258965      -0.42218528       1.56760856 
Hf       3.95728375       0.11706256       5.19992714      -0.03362232      -2.38248716      -1.08716313 
Hf       3.48830374       3.57044821       0.32143669      -0.14289766       2.12019614      -3.44380242 
Hf       7.24857407      10.62684078      10.48888140      -1.91225134       2.11769688       1.41600857 
Hf       8.93740258       1.96089633       2.15827298       1.49504452      -2.79745928       2.93542465 
Hf       5.36853444       5.22904550       7.86627694       0.47723803       2.39489756      -2.38456883 
Hf       8.99107273       1.40300290       8.12624251      -0.66541753       3.75025027      -1.77483527 
O      10.73329257       8.98009285       1.68998315      -0.09992126       0.11372115      -1.75479746 
O       6.27206009       7.18289548       3.36046836       0.71915086       3.53142180       2.33705308 
O       0.14542096       5.10561356       4.11652295      -0.98820160       3.65576356       0.55066066 
O       0.31188949       1.94156864       4.20592070      -2.37777891      -0.02176977       2.60868515 
O       1.22584493      10.56204799       3.64423194      -0.29234019       0.77099129      -1.18371099 
O       1.58406888      10.90068053       0.56522822      -0.35046692      -0.77597190       2.45479660 
O       1.66734335       3.36678658       1.30892372      -0.98403704      -1.05390467       0.33649144 
O      10.33703979       1.45744151       9.60844966       0.83049162       2.24407096      -0.00950391 
O       1.68993517       0.01210309       8.82777055      -0.04433251       0.27587810      -0.50468115 
O       1.63521642      10.94507555       6.37465145      -0.96040147      -1.13780292      -1.12866926 
O      10.88446904       2.18083519       6.84315545      -0.58521740      -0.96704819       1.96933416 
O       1.98491353       3.75953650       4.13099986       2.30520786      -0.20076979      -0.63728393 
O       1.77879797       7.71463826       0.70838448      -3.49464425      -1.77036877       2.16513541 
O       1.39757179       7.06012309       9.26582459       0.25300157      -1.77175148      -2.69946376 
O      10.78858849       1.56794570       1.50415635       1.04187764       0.82678440      -0.19141859 
O       3.65121551       5.92616175       6.88893933      -0.25376870      -2.31768468      -1.41483581 
O       3.56740420       1.69709360       6.49053763       0.42106603       0.10797663      -0.34899139 
O       5.47625734       3.65127391       8.96018875      -0.49829030      -0.69492391      -0.08025832 
O       0.12053178       5.39278829       1.58155460      -0.49574168       1.57125496      -2.07691737 
O       1.73920912       7.63558261       6.35624946      -2.46424245      -0.66748965       0.56546068 
O      10.66499012       9.07256248       6.51916907       0.98661040      -0.06873642       1.43625218 
O       3.25065703       1.42539554       4.00395408      -0.87813998       1.11866151      -2.44718557 
O       5.45234806      10.94358521       3.56522605       0.62949046       0.69017417      -0.17683007 
O       5.40364393      10.87647292       0.97516239      -1.06024319      -0.49125984      -0.16257098 
O       3.68779913       1.77481810       0.80001996       0.42805792      -3.17018175       3.07563312 
O       3.50975920       1.93228507       8.97372861       1.80189525      -2.00287047      -0.03227320 
O       5.21002468      10.76994597       8.89560567      -0.66430272      -0.10975168       0.15527069 
O      10.78934850       9.02201631       9.09201365       0.64782617       0.36194290       0.96422818 
O       3.63667515       5.97923821       3.97213712       1.68518066      -0.67230651       1.63911417 
O       4.91656372       3.53389998       3.68998011      -0.69531541      -0.48482705      -0.44947554 
O       5.52602913       3.59141515       0.78546599      -1.11744999      -1.01778533       2.53420314 
O       9.14758270       7.10942433       6.34622716      -2.44588994       0.19431339       1.62925813 
O       3.27040457       5.20905617       9.57841370      -0.11285132       0.60915955      -0.08228503 
O       5.35962513       3.29351942       6.45843645       0.61751964       1.55206791      -0.99037883 
O      10.65879549       5.09156369       9.48924914      -0.32039552      -0.31458469       0.08501942 
O       9.28218790       0.21888401       6.28687568      -0.88752561      -1.03622343       0.31052405 
O       1.99255797       3.67332702       6.76337917       0.45251110       2.07778382      -0.86241609 
O       7.33147429       1.27330961       1.35287857      -3.22642339       2.32044387       0.68637226 
O       8.98211566      10.74690638       0.81019499       1.83843105      -1.21180918      -1.63948828 
O       7.70557074       8.97884387       4.26794496      -0.26690824       3.31255208       0.72415473 
O       7.10997234       1.68195427       4.08399651      -1.05303225       0.86597709      -1.34623975 
O       3.66823095       9.22581785       6.61107283      -1.12363153       2.51694470       1.67969947 
O       8.92210921       7.35055066       9.12232639       0.77412235      -1.83611549       1.39488156 
O       7.08091627       1.62112306       9.35334133       0.62710108      -0.99468470      -0.57633208 
O       6.57849985       8.82747982       9.66144755       1.85828067      -0.23273428       0.64093289 
O       5.10456332       6.96807418       8.79657624      -0.93684654       1.43554705       0.38120990 
O       8.97901401       6.83601504       3.76922356       0.16238376      -1.82573105      -0.42502569 
O       5.31090939       7.76394354       5.97233391       2.81919072      -0.44683695       0.41670246 
O       7.16415305       9.13645973       1.52395392       1.40181870      -2.51490871      -0.38185686 
O       9.10526855       7.04514449       1.11759439       1.66832803       0.40123345       1.51652625 
O       7.13869218       5.68280522       8.99674167       0.84624217       0.13434489       1.09588367 
O       3.43764747       8.90442798       9.09507969      -1.21478424      -0.08644329       1.24611279 
O       8.73053478      10.55042312       8.80231388      -0.85379098      -1.00398161       0.80145804 
O       6.88202137       5.57326165       6.28961668      -0.14513508      -0.67029421       1.54804855 
O       5.62524130       0.33890666       6.41114208       1.80096678      -2.49825786      -3.24355452 
O       0.01672072       5.47617966       6.96859221       1.03382053       0.34354195       0.30019647 
O      10.09884967       8.76399221       4.32483923       2.98967336       2.83080686       0.75912088 
O       1.61777928       7.47925068       3.73892623      -0.96451754      -0.13153753      -1.22146779 
O       3.69699297       9.37414029       3.94452330      -0.18539777      -2.31186026      -0.03375491 
O       3.15406751       5.18872435       1.51749308       3.28876939       1.00641624      -1.38582263 
O       5.05347089       7.18930901       1.26031614      -0.50348035       0.29505388      -1.37450281 
O       9.01235487       0.29946517       3.43237525       0.98888261      -2.16212584       3.17991698 
O       8.46175090       3.58025317       8.62422031       1.91004919       0.56515333      -0.19690533 
O       7.15636103       5.42682661       1.07425156       1.00658345       1.42876963      -0.20051999 
O       9.15115994       3.52089871       1.02335204      -0.46612974       2.73299080      -3.13173405 
O       8.99103209       3.49303235       3.51295858      -0.01877693      -0.75618462      -0.24074585 
O       6.95752223       4.76918471       3.57477706       1.28049887       0.65423616      -0.18228909 
O       3.35274219       9.18663788       1.28203235       2.45288101       0.86686936      -0.35102539 
O       9.15628538       4.18337845       5.88408441      -0.58193773       0.09843687       1.36306242 
O       7.76211784       1.95900401       6.61279961      -1.58909038      -0.89115254       0.20026628 
O       1.67645622       3.12308438       9.29201455      -2.99307250       2.46461932       0.69413297 
O       7.17995292       8.88917558       6.96637553       1.46079264       0.33943186       0.06466516 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017034938879817163 0.0007269008890034105 0.0009576183861888495 0.0007269008890034105 0.005294223015041015 -0.0007174173091017057 0.0009576183861888495 -0.0007174173091017057 -0.008223977044066976" pbc="T T T" energy=-1059.37858 free_energy=-1059.37859701 config_type=crystal 
Hf       1.84762061       1.89965569       2.19179716      -5.86141457      -5.88629877      -1.28031981 
Hf       3.56970189       7.33551300       0.08051095       1.51777051      -2.16902502      -1.25669316 
Hf       5.29157555       5.30802905       2.56986368       1.95989795       1.17861477       0.05704316 
Hf       8.78972939       5.45495044       8.05592318       0.28723738      -3.41456840      -0.45665342 
Hf      10.70644379       7.38276173       5.35814650       3.90955170      -0.90928884      -2.90173972 
Hf      10.79773280      10.84376224       0.03737114      -0.36735498      -1.53428252      -0.99049954 
Hf       6.89318751       3.46873380       4.98559357       2.65613586      -0.37813263       0.14949221 
Hf       7.36492350       6.99475335       5.42129424      -2.04105719       3.35395920      -1.15876037 
Hf       1.58218751       5.34327933       2.38801584      -0.47585989      -2.15097498       1.57456863 
Hf      10.80800164       3.73266614       5.59399242      -3.23953503      -1.53990333      -3.97252159 
Hf      10.62842327       3.39768677       0.21405360      -0.21561854      -0.59442886      -3.91680013 
Hf       1.51703087       5.22051088       7.60714139       2.97133993       2.06381980       0.64245915 
Hf       9.27998563       9.27051077       7.79236681      -3.39950713      -1.55599053       1.99858179 
Hf       1.79934266       1.64266923       8.16037680       0.50190727      -0.38963936      -2.14090436 
Hf       7.33667466       7.50366032      10.62628344       0.01319037      -0.46709565      -3.41802598 
Hf       9.03706536       8.71463609       2.57006233      -1.04090205       1.54844765       0.61887195 
Hf       5.30039700       8.77430652       2.50322846       0.99935902       1.86270050      -1.62701258 
Hf       5.41013930       9.15130292       7.87074750       3.90441943      -1.27465622       1.56268435 
Hf       0.03700959       0.18975332       5.19878197       0.07953037      -1.90733466      -0.30280365 
Hf       3.46429728       3.58522479       4.81418245       1.51791981      -0.58939888       2.21339125 
Hf       0.03554094       6.98608891      10.23820781      -2.84277083       2.42118274      -1.07324907 
Hf       1.97725748       8.80680618       7.68832548      -3.56816540       2.68363845       2.11961806 
Hf       7.09943300       3.71445782       0.00375926       3.44835221       0.11058701      -1.81097049 
Hf       8.80835941       5.31722859       2.68231244       0.48623902      -3.22310798      -1.97994193 
Hf       3.30995967       7.42816888       5.35333071       5.36456226      -2.29469936      -5.36242399 
Hf       3.49385350      10.83250901      10.20237277       0.26542522      -0.42675632       3.39959764 
Hf       7.39351899      10.64366087       5.03350527       3.14620692       1.14906144      -0.36653529 
Hf       5.19926238       1.22227601       2.55845185       2.36773573       2.56743556       0.51397453 
Hf       5.70816956       1.82373138       7.73703160       0.52950672      -0.17179642      -0.59595842 
Hf       1.47709066       9.13652076       2.68181139       0.40164888       1.85943411       0.26910394 
Hf       3.99075784      10.74941684       5.51675148      -2.23285948       3.42603179      -0.65816344 
Hf       3.64882831       3.73234995      10.22752853       0.03080419       1.41731699      -1.09633807 
Hf       7.22462535       0.42022691      10.58218616      -0.56383788      -4.02162247      -0.48587131 
Hf       9.12353987       1.64819643       2.67554889      -2.06829500      -0.13961159       0.91142883 
Hf       5.42242832       5.73282659       7.76408676      -4.11644622       0.12005426       3.98775705 
Hf       9.21229333       1.80375881       7.91663491      -1.75641661       0.03660613      -1.55905832 
O      10.77385004       8.93745648       1.56682652       0.38935455       0.18831210       0.20335344 
O       5.52241902       7.28200521       3.66924995      -1.06451873      -0.27919904      -0.01802407 
O       0.01785017       4.86752226       4.00634911       1.37593562       1.90939318       0.48591895 
O      10.50566819       1.74589656       4.17990102      -1.69079011       3.24047784       0.67607043 
O       1.01029286       0.32217422       3.32916797       2.62428131      -3.16051470      -0.50184891 
O       1.69140919      10.37052593       0.89880875      -0.49923284       2.58498318      -1.07846859 
O       1.81014506       3.71114746       0.65933590      -0.79321109      -0.99453847      -0.03162797 
O       0.23987691       1.63014368       9.52733040      -0.61266235       0.21327769       0.52752704 
O       1.76907091      10.73352308       8.92023455       1.15848429      -1.18057483       0.15347686 
O       1.78726893      10.48000201       6.36668405       0.02033251       0.95694876      -1.13534013 
O      10.95392263       1.77382099       6.72210113       1.35326504      -0.09784186       1.22847160 
O       1.96891448       3.26324581       3.24469389       1.30007695       7.69422313       4.96074352 
O       1.60846647       6.77415374       0.95248914       0.03275425       0.90611971      -1.11997861 
O       1.94011675       6.74903448       8.91576644      -1.30906255       3.18549706       0.28690644 
O      10.76807995       1.82825544       1.45879571       1.28800456      -0.85197530      -0.57020972 
O       3.80194389       5.25028316       6.88152901      -3.67088949       1.09682421      -0.32562299 
O       3.79527914       1.30317051       6.98540048      -0.56198432      -1.04565150      -0.30355685 
O       5.12982292       3.39215257       8.66561920      -0.25826800       2.11787093       0.69275820 
O      10.69073651       4.51775437       1.74334009       1.35480589       4.54914296       0.77884541 
O       1.74295498       7.22179410       6.29508669      -1.77903623      -0.63945688       1.43158695 
O       0.01704096       8.70084928       6.90124421       1.34822198       0.61868071       0.67779168 
O       3.52836589       1.56423874       4.27005885       1.63263838      -1.92431327       0.33702567 
O       5.75718276      10.57633998       3.57674311      -0.84402533      -1.38447293       1.85817072 
O       5.31596602      10.76521474       1.15072201      -0.48506233       0.02361999      -2.40341251 
O       3.56408398       1.83993903       1.68698769       3.95131291      -1.00679352      -3.59235414 
O       3.43948216       1.65467142       9.42900163      -0.93561587       1.55839847       1.33607369 
O       5.69642605       0.11165183       9.04943813      -2.77116810      -1.71119617      -1.00250398 
O      10.68695679       9.12505892       9.42372146       1.17992564      -1.51742562       1.09112156 
O       3.75440887       5.53568323       4.39774269       0.04935096      -0.91615997      -2.17017840 
O       5.48304305       3.28644930       3.36869489      -1.30301784       1.34122526       0.17441854 
O       5.34149372       3.47606249       0.49467122      -1.99026059      -0.08316660       2.56763375 
O       9.19232700       7.27395310       6.36889903      -5.25220064      -0.87026134       0.89671794 
O       4.04299682       5.72641821       9.45169944      -0.18143262      -1.28196544       2.00555533 
O       5.31727077       3.51639142       6.21356034       0.14766404      -1.41468082      -1.87355766 
O      10.59498369       5.48973979       9.04088157       3.81708227      -2.21230987       2.09318054 
O       9.20504867      10.73172608       6.28758112       0.31717188      -0.91213881      -0.81282383 
O       1.83950057       3.64084807       5.94914972       0.00844680       0.44918519       1.25814642 
O       7.02756800       1.67765361       1.60837688      -0.00637630       0.05069250       0.04986910 
O       8.98974092       0.10402415       1.01130354       1.11600892       0.43008028      -0.74324070 
O       7.63952085       8.82054687       4.28242601      -0.40920691      -2.00417545       0.37199618 
O       7.33945847       1.66634647       4.40448956      -0.09242198      -1.78754158      -2.35982993 
O       3.67514857       8.94666237       6.70826887      -0.27333436       1.81257177       1.39006921 
O       9.03780577       7.02843385       8.99954943      -0.72443270       5.07244964       0.41199441 
O       7.15759183       1.89684975       9.28652722       1.34008403       1.62846390       1.43563637 
O       7.61486427       9.38285228       9.74849088      -0.83090397      -1.60749737       0.27487058 
O       5.73968055       7.55748408       9.12140762      -0.17856643      -0.16335507      -1.43617432 
O       9.24698463       6.93043791       3.70589704       0.08231271       1.48056336       0.83131461 
O       5.20608687       7.45181203       6.36440530       1.53221806      -2.14831785      -0.32051479 
O       7.25573743       8.84739367       1.46074156      -0.38630878      -0.07002066       3.40333185 
O       9.17859968       7.07639199       0.81306174       1.50310431      -0.19115650       1.68550485 
O       7.27467521       5.37904760       9.51300528      -0.56282968      -0.45367048      -1.93797950 
O       3.76161825       9.08627862       9.38534440      -1.22423014      -1.99201073      -0.99930724 
O       9.00500449      10.92481879       8.84954086       1.71105319       2.97915806       0.37287428 
O       7.05419491       5.55235158       6.84626400       3.42624489      -0.24112935      -2.58600802 
O       5.89882566      10.61865380       6.27697211      -3.51960992       0.50157851       1.06697567 
O      10.76481835       5.54079946       6.62888108       0.79615962      -0.91206746      -0.26121502 
O      10.82894250       9.13816076       4.26983745       1.04685089      -1.08083136      -0.13557073 
O       1.71979761       7.06671455       3.59084481      -0.06658383       1.42166126      -0.15442382 
O       3.32192077       9.35700806       4.24856446      -0.42936594      -2.01384311      -1.07559260 
O       3.66815809       5.20198692       1.48483537      -2.11629516       0.61038474       0.22821211 
O       5.48597728       6.99580940       0.99714359      -2.42675145       1.72139090       0.82501354 
O       8.99127980      10.59922849       3.47072415      -0.23625254       2.12946257      -0.33939412 
O       9.16648848       3.42719917       9.03333742       0.66608013       1.15762786       1.24746641 
O       7.27985246       5.35802786       1.26007050      -1.14400733       0.01850319       2.78902321 
O       8.83070779       3.42956194       1.09403138      -0.85692989      -1.35563012      -0.01161232 
O       8.72150068       3.77559011       3.83658836       0.20320430      -1.94724822      -0.86680662 
O       6.93093191       5.33877203       3.88664808       0.82138293       1.14300754       2.39554013 
O       3.44648271       9.10750938       1.45283177       1.21146229      -3.45084652       0.87065926 
O       8.98238780       3.62753774       6.40407571       0.38846397       1.31682399       0.75509181 
O       7.61846430       1.75756404       6.71258987      -2.66240493      -0.37437908       1.72402061 
O       1.85644347       3.67078205       8.64978560       0.39444144      -1.59405025       0.76689684 
O       7.19213544       8.67684008       6.98384599       2.00624958      -0.04373945       0.05680976 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025164259106382786 0.00547831319971287 -0.008776342987066511 0.00547831319971287 -0.010400283329362136 0.019199884857039103 -0.008776342987066511 0.019199884857039103 -0.015686240114682868" pbc="T T T" energy=-1062.62214819 free_energy=-1062.62215002 config_type=crystal 
Hf       1.92149319       1.88914505       2.17766378       0.46989280      -2.40379594      -1.26742881 
Hf       3.57331945       7.37377497       0.00753649      -2.13088413      -2.89002305      -2.88462489 
Hf       5.36334108       5.39310995       2.50084522      -6.91876750      -2.61583234       0.47778109 
Hf       8.88287205       5.33925617       8.15843489       0.22250959       0.19046885      -3.40513005 
Hf      10.90709362       7.39624594       5.41875316      -1.26728675      -4.92547730      -0.77049830 
Hf      10.79453573      10.74541472       0.00037159       1.39870339       0.88267800       0.34165339 
Hf       6.92166281       3.55356699       4.97213598       2.78731649      -1.81466854      -0.62380803 
Hf       7.34246502       7.01687494       5.40216969       2.01741601       0.83849727       0.51613404 
Hf       1.58954282       5.27712130       2.39482860      -1.99135880       3.39426074       1.72622137 
Hf      10.75540276       3.56985166       5.47753292      -0.29484282       2.88533407       0.00204697 
Hf      10.57032864       3.63119485       0.15745854       0.39906516      -1.11295501       0.20261416 
Hf       1.59366173       5.13925231       7.63227281       0.36124892       1.06880663      -0.25023179 
Hf       9.18812308       9.23325238       7.87795226      -1.54832934       2.12019350      -0.12725701 
Hf       1.78388287       1.60194129       8.22709653       0.39393656      -0.29677894      -2.12711491 
Hf       7.39783620       7.52073820      10.53086074      -1.05342638      -2.00024429      -0.07833388 
Hf       8.87007084       8.82442430       2.76934312       2.13590452      -0.40302490      -1.34165785 
Hf       5.27607457       8.64669476       2.47321918      -3.98396330       2.61329712      -0.42481378 
Hf       5.44389167       9.15455225       7.87232570       2.12347305       0.38612690       0.78399362 
Hf       0.03778133       0.09631639       5.14747175       0.89153122       1.04254998       1.52566187 
Hf       3.45056043       3.55509261       4.80941959       3.57050498      -0.12968882       5.97645420 
Hf       0.06522008       7.01605948      10.12952139      -1.55225375       1.05451553       1.57049686 
Hf       1.85337722       8.84555635       7.73980077       0.85220336       1.13164959       3.05547335 
Hf       7.19207464       3.70293342      10.59121943      -2.07278229       1.54817770       1.68141899 
Hf       8.73513290       5.34572986       2.76110043       2.41405161      -0.64582331      -1.41089367 
Hf       3.38507291       7.33626272       5.18736398       0.45205035      -2.69373329       0.87861620 
Hf       3.56143164      10.88019544      10.23492079      -0.36449871      -0.33320305       1.99681586 
Hf       7.29962016      10.66519873       5.02284407       1.23616854      -1.24474674       1.46071936 
Hf       5.30216529       1.32283040       2.56719261      -0.19661593       0.72019509      -1.14418673 
Hf       5.77999666       1.82291505       7.64028665      -8.20704818       0.29688093       3.85313548 
Hf       1.31493025       9.08837385       2.71417765       2.46897585       2.43070899      -1.77490949 
Hf       3.93202185      10.81544854       5.50556180      -5.11173862       0.75247969      -2.31074887 
Hf       3.69479388       3.77202711      10.12496612       0.94596340      -1.77750741       2.12384175 
Hf       7.23457099       0.41678026      10.60949940      -2.00996727      -1.38892966      -2.02423731 
Hf       9.15374074       1.66901732       2.71303822      -1.32026688       1.18918108      -1.66200410 
Hf       5.32756262       5.75731040       7.80141018       0.19055609      -2.33239429       0.03822013 
Hf       9.11069637       1.76339701       7.91257060       2.16431557       1.88236979      -1.36781493 
O      10.64594476       9.35729182       1.71002424      -1.02143608      -0.61410908      -0.80949876 
O       5.56043853       7.06554752       3.37512033      -0.35268870       1.08237208       3.46895042 
O       0.54277678       5.37320192       4.36604797      -1.50025089      -0.25615045      -0.62581281 
O      10.35134910       1.97116682       4.38767905       2.03699477      -3.25312605      -1.25851562 
O       1.31709745       0.07579931       3.27683014      -0.27594248       1.35624851       2.09208536 
O       1.90768403      10.77929769       0.84104428      -1.07384904       0.08552800       0.28013186 
O       1.53922783       3.57314415       0.81757301       1.28936219      -0.52131033       0.98884306 
O       0.01838198       1.70594112       9.42359476       0.10653151       0.42961927       0.63719206 
O       1.87761068      10.59633172       9.01215287      -0.70988507       0.86790940      -2.50868836 
O       1.87978808       0.02453848       6.15048052      -0.74228003      -1.86899262      -0.51931657 
O       0.02079734       1.58818647       6.82683175      -0.03704432       0.79092919       0.31322810 
O       2.27691744       3.75835687       3.44800328      -2.49808086      -4.35670887      -3.27961163 
O       1.25538614       6.87318371       0.94749181       1.62273783       0.49507208       0.68391317 
O       1.74897782       7.22553481       9.06569476       1.14313725      -1.07795458      -1.68182933 
O      10.93486840       1.46663524       1.37409469      -0.78752927       2.19078399       1.77106534 
O       3.42115409       5.07263282       6.93614219       3.99573332       2.33008229       0.85262166 
O       3.59542307       1.58394004       6.87835285       1.29479658      -0.83984327       0.14771295 
O       5.11774185       3.41325689       8.72971643       1.22528179       0.44761223      -0.82917583 
O      10.68583742       5.06596138       1.83840215      -2.34896366      -1.52104742      -1.35748803 
O       1.73357270       7.06536181       6.45580216       1.05070785       2.03140642      -0.86664912 
O       0.05849551       9.01179382       6.92067657      -0.78329247      -0.60915949      -0.09820609 
O       3.82454173       1.26390969       4.04745358      -0.81831891       2.24346231      -0.11038814 
O       5.39547218      10.33965740       3.75109027       2.10314912       1.21618945      -0.91708716 
O       5.19236864      10.94809043       0.81076864       3.21186116      -1.37636438       2.02406195 
O       3.68743682       1.65856683       1.26295681      -1.85829996       0.78643220       3.31430154 
O       3.27765842       1.76322698       9.65628813      -0.11846709      -0.82019948      -1.67155808 
O       5.57367031      10.87467569       8.94885898      -0.20001496       1.35987175      -0.79843945 
O       0.06104705       8.93947951       9.63995837      -1.48455463       1.68211562      -0.58588948 
O       3.82180657       5.49077393       4.52111094       0.51964988      -0.13984949      -1.46443836 
O       5.30606125       3.45892796       3.36947304       0.43086384      -0.55418284       1.71064923 
O       5.32127234       3.45703104       0.80173527       0.44431992       1.33294377      -1.16758532 
O       9.05641169       6.87664745       6.41853423       0.92326391       1.30666013      -1.12654001 
O       4.33300257       5.52338216       9.52861821      -1.87706590       1.86766719       0.54764909 
O       5.50215535       3.19662434       6.10187400      -2.41129533      -0.03109584       0.25566920 
O      10.93927764       5.15785352       9.32997602      -0.13935974       0.78052177       0.40564439 
O       9.09496892      10.80059692       6.39372264       0.38100462       0.54332060      -2.13344232 
O       1.70917215       3.80850368       6.02646783      -0.04369530      -2.22528983       0.02742735 
O       7.11881953       1.75431581       1.55375891       0.05671068      -1.01596107       0.07261456 
O       8.92305832       0.08994536       0.80541184       0.91359681      -0.28328847       1.25184510 
O       7.59307684       8.70736251       4.27428792      -0.89622938       2.16318384       1.52517282 
O       7.21442159       1.46933918       4.08065092      -0.90275791       1.09385338       0.53012207 
O       3.73304960       8.91081050       6.88416574      -1.61267777       0.11288037      -1.24041935 
O       8.88913669       7.55274933       8.76815397       0.67005127      -4.98042460       2.68957168 
O       7.29661975       2.15892812       9.44772929      -0.69166790      -3.37308112      -1.24379589 
O       7.46666826       9.21653363       9.75106543      -0.36952139       2.26652068       0.58022454 
O       5.65715536       7.51361614       8.85584503       1.06299336      -2.10057238      -0.11347595 
O       9.31845631       7.08845706       3.75023964      -0.04018149      -1.01284836      -0.07791453 
O       5.57071570       7.27183848       6.09321742      -3.15536199      -0.80780875       1.77994042 
O       7.08633981       8.58933221       1.93795602       2.35140219       0.65944814      -3.39198457 
O       9.02426569       6.94971389       1.07232144      -0.29164573       0.86353449      -1.05236413 
O       7.18014344       5.44837432       9.41096932       0.41528829       0.56677084       0.66967797 
O       3.71436535       8.92424453       9.34338068       0.16141864       0.94788221       0.27073056 
O       8.96074149       0.17747909       8.95418613       0.26202446      -3.33180010       0.93370937 
O       7.29411225       5.12694642       6.78418161      -2.09005990       0.88571837       0.61739317 
O       5.61559564      10.63202253       6.32640769       2.84118078       0.95607689       0.58878465 
O      10.82601791       5.45742397       6.70055583      -0.51726294      -0.82139741       1.60052105 
O      10.84418734       9.13380641       4.44078302       0.08281906       0.31477413      -1.42495690 
O       1.72733885       7.44287862       3.57432076       0.32339086      -2.73394648       1.81494788 
O       3.48386886       8.99372584       4.33465267       0.18268355       2.20182157      -1.21932386 
O       3.37825236       5.33613065       1.64528555       2.42238539       0.62059981      -1.66213574 
O       5.22403357       7.09276452       0.94345087       3.40170417       0.13936410      -0.42141936 
O       9.02309132      10.81061837       3.44103427      -0.45201151      -1.42880654       1.38258420 
O       9.07798723       3.69706035       9.37669632      -0.24539643      -0.42080723      -1.34156461 
O       6.98747090       5.26467649       1.76271655       5.41898138      -0.19737757      -3.34723039 
O       8.78245242       3.53324580       1.18359495       1.39016478      -0.23922753       0.69202323 
O       8.90034029       3.50700673       3.77158479      -1.22768882       2.18776242      -0.28154828 
O       7.10209629       5.35057427       4.22951730       0.39568019       0.72985337      -0.81568493 
O       3.33963575       8.55193599       1.40476754      -0.46246343       2.95157267       3.62813215 
O       9.16846023       3.52968674       6.71141462       0.03268752       0.31342816       0.16287793 
O       7.35988977       1.67088378       6.85409492       4.95437474      -0.58661001      -2.88139082 
O       2.09591293       3.58718668       8.76975215      -0.99184208       0.16025207      -0.18290485 
O       7.51582915       8.87123557       6.79457188      -1.51540785       0.68945980       0.97306820 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017981982089848754 -0.003753739651373148 0.00463783650537213 -0.003753739651373148 0.012355517496014634 0.005411095778985417 0.00463783650537213 0.005411095778985417 -0.003574700732519889" pbc="T T T" energy=-1061.06969429 free_energy=-1061.06970949 config_type=crystal 
Hf       1.68845272       1.79221458       2.53477437      -0.43343834      -1.73751540      -1.09443441 
Hf       3.50349489       7.07828124       0.17043888       3.41431678       0.67947630      -1.06519036 
Hf       5.37476030       5.16927263       2.65676340      -4.03173987       1.42007527      -0.89239718 
Hf       8.89053566       5.39258428       7.63874566      -1.46917540       0.88503108      -0.50293342 
Hf      10.75819183       7.18600238       5.05032662       0.55891048       0.72585187       2.32289516 
Hf      10.78224902      10.83464017      10.41066705      -0.55905710       1.94865817       1.17441884 
Hf       7.19633093       3.35421402       5.28714914      -1.54770579       0.42373197      -1.18468694 
Hf       6.89129803       7.16029347       4.84893630       2.99786921      -0.18449894       3.39795309 
Hf       1.73598839       5.52634905       2.56134995       0.31802041      -0.40617374       0.20822727 
Hf       0.04881906       3.72864858       5.11759661       0.09739298       1.17327695      -0.74913805 
Hf      10.91485211       3.50764842      10.30042445      -2.45540657      -1.81025805       2.06842260 
Hf       1.68169089       5.55907528       8.14030543       2.31295776       1.38173505      -6.55014676 
Hf       9.16854887       9.13280656       8.11545727       0.41557028      -1.52037173      -0.97454460 
Hf       1.97471678       1.81200364       7.84550969      -2.36841702       0.90199535       0.31972824 
Hf       7.09982523       7.26172642      10.61330915      -0.07177861      -1.26884908       0.27160594 
Hf       9.41705648       8.87378525       2.56840548       2.16721929      -0.29443433      -1.56535234 
Hf       5.65455923       8.98632265       2.50325769      -5.91175998       0.97231592       3.63268300 
Hf       5.67531646       9.04823051       8.00838221      -1.39690116      -1.18004804      -2.57093378 
Hf       0.04727437       0.23669156       5.09076986      -0.84503071      -1.75675703       0.36443864 
Hf       3.58257968       3.53641438       5.27746219      -2.18030775       2.46758228      -2.37722449 
Hf      10.93087723       7.07160224      10.35924544      -2.60449210       2.06980893       1.25157496 
Hf       1.67866714       9.24832969       7.73634550       0.50115119      -1.92171564      -0.06985801 
Hf       7.02227866       3.65378338       0.04261028      -0.24371604      -0.91192200      -2.64383743 
Hf       9.10227986       5.14297122       2.29489474       1.61520247       0.67270595       1.04374459 
Hf       3.79507809       7.18646122       5.18746187      -7.51140765      -0.67051996      -1.00748668 
Hf       3.45960592      10.65648465      10.62587550      -1.12247855      -0.39078142      -0.33559567 
Hf       7.63947319      10.71864166       5.40360907      -4.21247537       0.27356447      -0.02390421 
Hf       5.24693927       1.64025968       2.71063894      -1.86599911       1.20295133      -2.18502305 
Hf       5.24704347       1.79627794       7.99883025       3.78453767      -1.46938077      -1.61572550 
Hf       1.97906346       9.26411159       2.63513009      -1.12152491      -1.79221247       2.66204863 
Hf       3.65266061       0.08901629       5.28325595      -0.64501963      -2.95521625      -1.57500222 
Hf       3.28758796       3.56088209      10.50378262       5.28709580       0.17402437       1.70523458 
Hf       7.00557645      10.77341837      10.54802998       1.59742098       2.78564766      -1.13671273 
Hf       8.62267975       1.54516533       2.51856345       3.70170157      -0.96058571       0.24495200 
Hf       5.26568839       5.38204889       8.13684569      -0.38559878       1.02067393      -0.58884866 
Hf       9.09239207       1.93934128       7.62982081      -0.05352366       1.66169838       2.68784123 
O       0.30422719       8.90327781       1.55068649      -4.22184379       0.40893644      -0.30225355 
O       5.24601284       7.28671366       3.65154905       0.79676665      -1.02228972      -1.62534489 
O       0.06575956       5.51116655       4.10170963      -0.12538364      -2.31325937      -1.69229095 
O      10.95378031       1.73809567       3.89425600      -1.74159903       2.15418273      -0.67173925 
O       1.47560075      10.86127311       3.68686879       2.52892808       1.59986359      -1.71439751 
O       1.75552600      10.69518245       1.21824082       1.94995921       1.62922406      -3.17359243 
O       1.71648178       3.19228346       0.73811496      -2.53186816       0.63209747       0.04368323 
O      10.92228631       1.72663558       9.08444028       0.28514318       1.14771600       0.19783941 
O       1.58286711      10.82055174       9.05584997       1.40735013       0.69701614      -0.31069789 
O       1.68702887      10.82980945       6.07528641       1.76327094       1.15380125       3.64988092 
O      10.94188243       2.31012869       6.38951004       1.11956906      -4.28737383       3.94304943 
O       1.72465747       3.51793095       3.36259841      -1.22643049       2.70070627       0.96380324 
O       1.67387685       7.15141352       0.62259973      -0.12539553      -1.75763567       2.58390522 
O       1.37554333       7.61330282       8.96040686       1.13309679      -2.26864623      -2.82074942 
O      10.88251887       1.73268165       1.18136509      -1.25474741      -1.05732711      -0.06494401 
O       3.91105152       5.36791203       6.68710132       0.05928753       0.49777349       0.30399801 
O       3.62082105       1.95246580       6.73040014      -2.07649837      -2.01141059       0.60142187 
O       5.70575377       3.52168021       8.68389842      -1.31912661       3.23070757       1.54682458 
O      10.95581134       4.99300527       1.35415224      -0.07233088       0.88521537       0.03263080 
O       1.66870233       6.61850503       6.19295305       0.50433284       2.37953718       0.12439523 
O      10.77581828       9.18459327       6.86065014      -0.12285701      -0.26273786       0.34159334 
O       3.12433567       1.75168089       4.21971332       1.56410871       0.24489430       0.23564168 
O       4.68348600      10.81486196       3.42556493       1.49018342       1.13222137      -0.14899363 
O       5.13618222      10.80513446       1.02742593       3.32852583      -0.62087400      -0.92283038 
O       3.62105211       1.87055754       1.39381638      -0.77263168      -1.46114856       1.17071706 
O       3.70879422       1.81538400       9.34703280      -1.41425430      -2.53422257       0.58784291 
O       5.50424882      10.80116981       8.89447783      -0.19207770      -0.53299093       1.13495993 
O      10.61003012       8.96161293       9.63339273      -1.35185872       2.42337045       0.54885952 
O       3.43891573       5.35913945       3.77755457       0.20058539       1.33520159       2.53262149 
O       5.04642727       3.50204421       3.56546489       0.07691593      -3.86126381       0.61995306 
O       5.18896056       3.58555566       1.05490093       2.41386370       1.22345148      -1.46632902 
O       8.80047799       7.14535453       5.83849493      -0.43804023      -0.56048727       0.20110077 
O       3.42229975       5.40014995       9.42101659       0.22436679       2.05728356       0.12363814 
O       5.28720520       3.35139636       6.02078004       3.70285254      -0.96661342       1.63725880 
O       0.24897335       5.35269699       9.39838894      -0.97351244      -2.09974893       0.61610416 
O       9.17072539       0.48213543       6.34641891       2.41183461      -2.67644347      -2.25352134 
O       1.80850309       3.96572064       6.25203169       0.00308420      -1.01409457      -0.34564636 
O       7.10741467       1.81233944       1.38423072      -1.54256723      -0.37969237       0.61339027 
O       8.83044287      10.83755063       1.08623576       0.40686225      -0.17100402      -0.96988051 
O       6.83368591       9.26979907       4.20608609      -0.50913109      -2.33417056      -0.73435136 
O       7.17897740       1.60208043       3.96914325      -0.50578887      -0.54027183       1.35954292 
O       3.46432719       8.91015139       6.97247190       0.51072023       0.46516011       1.40680544 
O       9.27562887       7.05258350       8.62691465       0.37353564       1.78353367       0.73034504 
O       6.96439986       1.90373702       9.50626054       0.58113146      -2.41616723       2.16278794 
O       7.40036562       8.98678631       9.31330518      -1.44801287       0.30288313       2.06483545 
O       5.50072296       7.25240516       9.20780098      -0.38696033       0.75673504      -1.76380805 
O       9.29175961       7.12527065       3.52674418      -1.42844395      -0.11915546      -2.03015274 
O       5.32099537       7.48950385       6.06780529       5.87352299       1.09265286       3.81563037 
O       7.12925655       8.87389130       1.42083806       2.81827139       0.91891032      -2.17566921 
O       9.01399301       7.12575676       0.92327352       0.76939463      -0.12517749      -0.34445409 
O       7.39133130       5.57683068       9.70382697      -1.07021000      -2.19113420       1.13362767 
O       3.52219821       8.79210060       9.69596448       0.38611485       3.55894597       0.25383654 
O       8.98195789       0.07164797       9.02004416       0.67250839      -0.59399537       0.17607595 
O       6.87093423       5.41962172       7.12885755       2.28461954       0.04110727      -1.80209935 
O       5.35226631      10.90249922       6.22124266       1.14454223      -0.45281423       0.48967439 
O      10.58318156       5.38000033       6.62852798       0.57354294      -0.60901006       0.05447153 
O      10.81078666       9.39164075       4.18393313      -1.29546702      -3.82743940       0.12479878 
O       1.34621204       7.32564865       3.26442302       1.06847698       0.79454590       0.83114229 
O       3.48761482       9.09228185       4.53485913      -1.47287809      -0.95706172      -0.99560188 
O       3.54246527       5.40951185       1.30904436      -2.60802695      -1.85733214       1.09892924 
O       5.39384773       6.76111128       1.15396778       1.48734816       2.46223563      -1.31470919 
O       8.80641385      10.45441175       3.56220370      -0.88472242       4.30979017       1.32710394 
O       8.95848345       3.76616740       8.77448928       1.47184270      -1.46943842      -0.36257419 
O       7.15643017       5.31533616       2.01617143       3.44746207      -0.79618719      -2.44832267 
O       9.00666389       3.63261025       0.57471545      -0.40461215       0.30892033       2.34868084 
O       8.84342869       3.62870597       3.77784825       0.52860169      -0.04714630      -3.01491432 
O       6.69674467       5.13370014       4.41215168       0.18275338       1.93063699       0.56787045 
O       3.70245344       8.73751474       1.71670510      -0.04510427       0.15251885      -0.84884828 
O       8.93063396       3.45043991       6.15444960      -0.65493520       0.60999907       1.13094952 
O       7.11231901       1.53357815       6.98396302       0.99445271       1.08268482      -1.33530588 
O       2.27126360       3.59055883       8.75382417      -3.22104660      -0.92479800      -1.07354962 
O       7.49718335       9.13098699       6.77905195      -0.73728316       1.37510206       0.68984341 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002604365802015328 -0.005338930046132402 0.017713701499294777 -0.005338930046132402 -0.018656820485293654 0.002606256511167286 0.017713701499294777 0.002606256511167286 -0.02236116613167846" pbc="T T T" energy=-1064.98736707 free_energy=-1064.98736736 config_type=crystal 
Hf       1.70673653       1.72011950       2.48985420      -0.49876875       4.77442898      -2.92840375 
Hf       3.53201018       6.99909675       0.13235645       1.36984480       5.40930034       3.52572229 
Hf       5.30817422       5.15647427       2.66954680       0.82559519      -0.11531705      -0.53654370 
Hf       8.80899639       5.47118219       7.71473993       1.91053257      -0.35417421       1.24057548 
Hf      10.66515666       7.23225270       5.03600404       1.40996531      -4.06654140       2.73635906 
Hf      10.78436308      10.76281428      10.45096266      -0.53900008       2.90387061       1.07837402 
Hf       7.16725272       3.29829580       5.15976334       0.91009217       0.56708808      -0.85555170 
Hf       6.95801734       7.20175832       5.03889311       0.92992943       0.33094012       0.50576669 
Hf       1.65872821       5.51362376       2.51131914       0.06025909      -1.21968143       1.70287751 
Hf      10.83831865       3.84263743       5.24439420       2.39403961      -2.61938866       1.11498255 
Hf      10.89230193       3.31536843      10.37474252      -3.03584839       1.41131829       2.77569616 
Hf       1.65327618       5.61870298       8.06039310      -1.00202926      -5.11358898      -4.79398976 
Hf       9.21472151       9.10968370       8.06342257      -0.84636500       2.92152808      -1.90181196 
Hf       1.99951108       1.79070254       7.83500430      -3.91705856      -1.38099140       2.47072902 
Hf       7.13144117       7.36867396       0.02343110       2.07120861      -0.64175492      -2.57236719 
Hf       9.48947596       8.70631917       2.46614015      -3.97924595       2.73920672      -0.66764835 
Hf       5.55290091       9.04947303       2.54992707      -0.02764997      -0.25319106      -1.75620049 
Hf       5.66816592       9.02761351       8.03009981      -1.77229276       1.62748127      -2.71920817 
Hf       0.06897317       0.24956683       5.09316277       1.84551532       1.41861572       0.13919921 
Hf       3.57057716       3.52796709       5.13122458      -0.33948015       1.85910862       0.58251278 
Hf      10.84072173       7.11727682      10.42463675       1.20646212      -1.25358890      -2.91143392 
Hf       1.75210324       9.09469557       7.80784965       1.38076312       1.47559304      -1.41808165 
Hf       7.02479426       3.68217213       0.03495325       1.44920326      -0.79172910      -0.39248205 
Hf       9.09949693       5.14952937       2.35431797       1.41520937      -1.93654301      -0.60954249 
Hf       3.68322884       7.33189675       5.21092465      -0.50077623      -3.23847565       3.13441466 
Hf       3.40066910      10.67120415      10.50928929       2.82308604       1.46526453      -0.78334171 
Hf       7.72782709      10.69164739       5.23795579      -3.52722360       1.27973424       0.91233877 
Hf       5.26319644       1.45202454       2.66910389      -1.50544824       0.20562342      -1.30541682 
Hf       5.27044493       1.78870351       7.99397492       3.22309312       0.30945646       0.04285671 
Hf       1.96450327       9.30241892       2.68195658      -0.02043579      -1.57016130      -2.20269748 
Hf       3.75675444       0.00672041       5.32478792       0.25412353      -0.95020288       0.27208348 
Hf       3.37326497       3.65099398      10.49262600       1.79232630      -1.89348585      -0.87000752 
Hf       7.01031920      10.86037329      10.60018871       5.33494295       3.06607312      -3.55551037 
Hf       8.64230896       1.57990899       2.60071297       1.81647622       2.48353467      -2.00431223 
Hf       5.26541251       5.46349239       8.10728952       1.80151643       2.62522143      -3.49511807 
Hf       9.14200193       2.01846014       7.71813898       0.36662244      -2.79242907      -0.32894304 
O      10.93860330       9.32772421       1.48324921       3.26644859      -0.36308579      -0.04171499 
O       5.32864847       7.14945875       3.35062240      -0.32628289       2.35586385       1.37589897 
O      10.70826457       5.25814989       3.97262266       0.33102308       2.01874306       0.89876508 
O      10.27768512       1.91771184       4.00828625       3.07173056      -0.61376370       1.87980732 
O       1.59436817       0.13621759       3.47687504      -1.42142103      -2.55945368       2.69604700 
O       1.77908568      10.77581828       0.79559277      -3.38090062      -0.23348477       2.88823054 
O       1.67120490       3.48395300       0.78029647       2.31672826      -0.89036538      -0.30023517 
O       0.14928174       1.76240517       9.28495880       0.57136070      -1.25270416       0.20807155 
O       1.84267671      10.73192646       9.06948687      -1.05341020      -0.13399471      -1.45546951 
O       1.91124758       0.05623342       6.57241675       0.05630600      -1.10243875      -2.94195535 
O       0.16715208       1.81711406       6.90730189      -0.63262040       0.76517367      -2.53499192 
O       1.71001631       3.61905538       3.66653158       0.37359155      -1.61514649      -1.43814713 
O       1.58841874       6.97768598       0.70006048       2.01954763       0.41461969      -0.23404774 
O       1.29172478       7.34165033       8.58558899      -0.88723316       2.49039665       2.30861354 
O      10.73191989       1.81917401       1.27354967       0.85427252      -1.52813184       1.21615451 
O       4.12261593       5.40244600       6.52262552      -0.62080356       0.30441988       1.48254278 
O       3.56593270       2.00866953       6.79292800       2.41738756      -1.07750519      -1.38774639 
O       5.29772099       3.80952073       8.96396449      -0.97791916      -2.69886892       0.66220542 
O       0.09316007       4.98901674       1.57643014      -2.46459412       0.90263997      -0.82518033 
O       1.80592010       7.14551952       6.05981536      -0.87759093      -0.58352483      -0.61290224 
O      10.78094229       9.07079823       6.77509828       1.04796488      -0.73277196       0.84386817 
O       3.47179129       1.63815788       4.13610858      -0.30121794       0.88763931       1.07674169 
O       4.74623517      10.65337863       3.45004011       0.33551621      -0.42083123       0.34879812 
O       5.50068451      10.69913329       0.94502970      -4.83656958      -1.74958467       2.67647638 
O       3.44071317       1.40879380       1.51028311       0.81721294       1.44684400       0.63988470 
O       3.59944765       1.62334866       9.54537547       0.19666228       1.20536075      -0.56327165 
O       5.47571469      10.89939111       8.82533385      -0.53794978       0.50948134      -0.06482890 
O      10.48464889       8.95510265       9.63027673       1.70040689       1.66515214       0.37166956 
O       3.52972377       5.49197263       4.14590767       0.17775423      -0.51433381      -1.00020630 
O       5.30950296       3.24102945       3.47882121      -0.36235608       2.60060805       0.40101613 
O       5.28558503       3.72365133       0.94318387      -2.90660880       0.15538810      -0.01081460 
O       8.86460653       7.18350179       5.85660791      -0.43646649      -0.60699049       0.86266024 
O       3.30972499       5.88577805       9.34870134       0.87830056      -3.48728268      -2.52685156 
O       5.52193750       3.19977090       5.97848545      -3.87713734       0.11758687       1.65339709 
O       0.15164528       5.21914456       9.57404199       1.24534924       1.54791884      -1.00333665 
O       9.50711754       0.12821533       6.06202928      -3.83437137       0.07168283       1.90703965 
O       1.85521377       3.95338331       6.15448064      -0.66255058      -0.48415965      -0.29556887 
O       6.86937563       1.57135367       1.51274341       2.43172772       0.83802460       0.24699421 
O       8.97191891      10.67821347       0.76407598      -0.04504173       1.56882451       0.61246670 
O       6.73979233       9.21533176       4.14717071       1.93673630      -1.26332237       0.70499460 
O       6.96000629       1.35306578       4.04533660       0.97129133       0.57492018       1.19649135 
O       3.55585153       8.79886943       6.99954173       0.57744743       0.52070044      -0.57039034 
O       9.11605035       7.31145833       8.76280503      -1.10161657      -3.40351213       0.00020959 
O       6.85687100       1.93187192       9.70280743       0.05502525      -1.03896152      -1.09261236 
O       7.10144989       9.19057317       9.45474741       1.48554099      -1.96166810       0.57503574 
O       5.62464168       7.31180619       8.97628818       0.02959819      -1.78258853       1.59302944 
O       9.16663683       6.94477175       3.28416479      -1.02763811       1.11740463       2.35204204 
O       5.66272451       7.58667031       6.45322612      -0.45288271      -0.31328489      -1.73799855 
O       7.47316955       8.95638001       1.32519449      -1.94493175      -1.35574961       2.12200418 
O       9.40579327       7.20659681       0.99767982      -3.07324125      -0.61807961      -0.06709735 
O       7.31685909       5.37665886       9.67307940       0.57888555       1.65496427      -1.60253815 
O       3.63660142       9.01715448       9.48334250       0.05850505      -2.71692253       0.56201755 
O       8.99044167       0.25972458       8.87864041       1.09297719      -1.53956487      -0.68981659 
O       7.16443013       5.22630617       6.81269624      -1.66241096       0.21686267       0.94858343 
O       5.54793270      10.87145726       6.10754882      -1.14491110       0.11313208       0.09244256 
O      10.76540997       5.21759659       6.82888697      -0.78325271       1.52365235       0.03965813 
O      10.74305064       8.82511935       4.15760648       0.01011493       5.29009023      -1.79444871 
O       1.52134600       7.41097387       3.07728278      -0.03984613      -0.44238978       1.41642465 
O       3.23850376       9.00279007       4.41075843      -0.91909214       2.36165736      -1.46486130 
O       3.42569075       5.39504873       1.53713197       1.04743863      -0.06767461      -1.45884716 
O       5.59480542       6.81977321       0.95567539      -2.90951722       0.58735827       0.11120129 
O       8.92709638      10.90552154       3.53577703       0.94341648      -4.40001986       0.70025632 
O       9.38242642       3.67683163       8.63898516      -1.01301165       0.93481108       1.17559920 
O       7.25405908       5.01636061       1.59104449      -1.33572504       2.30239349       2.29997745 
O       9.04506346       3.68912327       0.83546895      -0.09828581      -1.27505171      -1.87064500 
O       8.56863282       3.53103893       3.42994503      -1.00466353      -0.10366282       0.51516884 
O       6.54485770       5.42000518       4.44790891       0.59307660      -2.15792013      -1.31923115 
O       3.63514536       9.06056960       1.49935299      -0.60683021      -1.30340445       0.85505318 
O       8.98714128       3.43041267       6.09945622       0.53298462       0.28605697      -0.16777894 
O       7.19188860       1.79200806       6.91790155       1.57210654      -0.41281793       0.09134145 
O       2.42856853       3.64395881       8.55178197      -0.62578712       1.35029125       2.56507344 
O       7.59811408       9.41773257       6.84375769      -0.63115654      -0.54766510       0.30372571 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015761342814621104 -0.0024364706545591855 -0.002515885837846823 -0.0024364706545591855 -0.00043003028570968397 0.01229833021166002 -0.002515885837846823 0.01229833021166002 -0.013145067770046443" pbc="T T T" energy=-1059.33662579 free_energy=-1059.33663229 config_type=crystal 
Hf       1.77175085       1.86719876       2.19571002       1.29580071       0.10546078       4.07557462 
Hf       3.57732463       7.29266660       0.09798673       1.89739344      -0.75200593      -0.51608113 
Hf       5.26938779       5.27431175       2.59803903       1.36115836       1.13559829       0.88185766 
Hf       8.75269198       5.48673533       8.00329793       2.34120891      -1.34634715       0.45936635 
Hf      10.63775548       7.34919167       5.30878202       3.86020669      -0.11412372      -2.51852530 
Hf      10.80240280      10.87766745       0.04206990      -3.14270996      -2.70617870      -2.72355902 
Hf       6.90788991       3.42278368       4.99214635       3.83575484       0.37802121      -0.28759782 
Hf       7.34672712       7.01685325       5.41243072      -1.94132985       5.26663340      -4.99553204 
Hf       1.56629638       5.36408148       2.40490032       1.44252375      -0.35855547       2.04004908 
Hf      10.80573627       3.79863978       5.60281311      -2.61084565      -2.47885334      -4.82537844 
Hf      10.65906304       3.27753090       0.19643168      -0.93156756       5.66985290      -4.63033994 
Hf       1.52054599       5.27766297       7.60556384       2.15574574       1.97853891       1.34715597 
Hf       9.29015641       9.26844929       7.77862064      -2.89962193      -1.85600444       1.80490464 
Hf       1.81353134       1.65642405       8.10523770       1.10148422       0.25585765      -1.74178093 
Hf       7.30504995       7.49333747       0.00848332       0.16879068      -0.60853660      -1.97178383 
Hf       9.11328133       8.67564971       2.47482830      -0.39160444       1.94179587       2.06711759 
Hf       5.31783971       8.85201831       2.50232233       3.11383469       0.06963740       0.85050640 
Hf       5.43550529       9.13638501       7.88753335       1.99993677      -0.39091115       0.83489972 
Hf       0.04200739       0.22025844       5.22474564       2.21975708      -0.89559981      -2.80319954 
Hf       3.48638162       3.59623754       4.84858937       1.54438579      -0.43689686       0.75245660 
Hf      10.94836411       7.00717724      10.28211408      -0.63096116       1.41441388      -1.94384290 
Hf       2.00389710       8.81566422       7.70501631      -2.52195909       1.68139238       1.62729027 
Hf       7.07868551       3.72258597       0.01279296       1.32687806       0.11498080      -1.80945009 
Hf       8.85783726       5.27591417       2.62152423       0.34945369      -2.73556673       1.43762587 
Hf       3.32221527       7.44492137       5.38923983       3.97759786      -1.83506750      -4.64799268 
Hf       3.46163026      10.80729421      10.22106791       1.29394748      -1.75234402       1.76952962 
Hf       7.47054427      10.63572380       5.03844266      -0.98457472       1.87161159       0.49950286 
Hf       5.17218583       1.19784238       2.55765797       4.55536303       1.24083912       1.57483291 
Hf       5.66322203       1.82542452       7.78850328       0.02891023      -0.47813815      -1.17430659 
Hf       1.56254154       9.18175315       2.66090064       0.82596445      -0.02935952       1.74168835 
Hf       3.98037572      10.75398199       5.50793483      -1.27143158       1.54639967      -3.05592941 
Hf       3.62396246       3.72670663      10.26723518       2.09691375       2.06208856      -0.57915368 
Hf       7.21451833       0.38095853      10.55978321      -0.80158276      -6.07849893       2.77509663 
Hf       9.08808527       1.64626302       2.65815995      -3.21824237       0.09115945       2.56621451 
Hf       5.43240277       5.71492208       7.77536913      -1.59404183       0.01962397       3.11006267 
Hf       9.25470981       1.82874090       7.90918579      -2.47531575       1.02632941      -2.97714285 
O      10.90454909       8.72914392       1.55519245      -0.13488859       1.32510133      -0.45069713 
O       5.32932237       7.43606278       3.85025757      -0.50549589      -0.64910030       0.14591227 
O      10.78939277       4.84121690       3.89887175       1.32813718       1.65033080       2.68085408 
O      10.47863766       1.95629722       4.14251383       0.30650328      -0.72634709       1.38665312 
O       1.11113046       0.11368209       3.40868065       1.50183618       1.49053975      -1.70105114 
O       1.51970446      10.48140098       0.86196322       3.39672771       1.64776457       0.38185423 
O       1.94683365       3.60584683       0.61116006      -3.82912417      -1.14866993       1.70145807 
O       0.25389511       1.62616786       9.65036416       0.36549273       0.36287097      -0.33016505 
O       1.86833019      10.74316381       8.79885733      -0.20023381      -1.34746120       1.04302695 
O       1.73315813      10.30720825       6.31342309      -1.07241773       2.07209055      -1.34895400 
O       0.14185544       1.86943729       6.79349219      -0.96272629      -1.23688726       0.58370858 
O       1.94622340       3.42884180       3.43948158       0.18711359       0.04835264      -2.09740197 
O       1.83274367       6.84370254       0.88585509      -2.35748826      -0.11090630       0.20532281 
O       1.94798578       6.83514689       8.81963766      -1.56024171       3.15757158      -0.01622617 
O      10.85380802       2.04310183       1.52790653       0.27900491      -4.09135495       2.10606446 
O       3.71941596       5.52489836       6.93598339      -4.26972372      -0.95540052      -1.04703239 
O       3.89299767       1.02105779       6.99703063      -2.37016022       2.88655350       2.03411624 
O       5.17214770       3.61458566       8.66869162       0.21135749      -0.33035461      -0.31624832 
O      10.71220632       4.71966194       1.76537337       0.19788126       0.97352542      -3.99406552 
O       1.62210844       7.26982816       6.29092830       1.23719402      -0.73134424      -0.23094052 
O      10.86439886       8.58320671       6.86502472       1.88292144       2.56316553       1.81537476 
O       3.54541024       1.55946291       4.40543341       0.99048932      -0.88588785      -1.15600130 
O       5.88563354      10.58260188       3.65843686      -2.66953419      -0.20334717       0.14091756 
O       5.42023712      10.62551160       1.11830186      -1.20228314       1.91452419      -1.84537187 
O       3.65688404       1.84540070       1.62220574      -2.46383989      -0.96511939      -2.04373331 
O       3.41435096       1.58340472       9.46952257      -0.44300252       3.46882566       0.47927275 
O       5.45996851       0.07304080       8.93555222      -0.61599172      -1.03712277       1.29385093 
O      10.59619116       9.01564408       9.41097187       1.68249591       0.54080419       1.21676509 
O       3.75903778       5.43058999       4.00784312      -0.68675645      -0.40348363       0.84933164 
O       5.46156940       3.35816103       3.47012797      -1.28265278      -0.26050673      -1.49367698 
O       5.34123746       3.53277403       0.63200162      -1.11489596      -0.37149614       1.08022936 
O       9.12144552       7.37472452       6.42541396      -3.91584005      -1.59452133       0.56406527 
O       3.80755687       5.71760816       9.64859018       1.45953473      -2.54437367      -1.18690356 
O       5.27639207       3.54498482       5.98415272      -1.98695659      -0.71922531       2.24084729 
O      10.73100222       5.37663728       9.09239598       1.35680955      -0.08059687       1.26207531 
O       9.29987263      10.66546496       5.94957882      -0.51996342      -0.66623276       4.03395829 
O       1.89784554       3.53541947       6.06929824      -0.74671053       1.26873419       0.51142356 
O       6.99703461       1.61422998       1.63607584      -0.54119821      -0.24374797      -0.39168034 
O       9.00212383       0.15652377       1.02823692       2.00886260       0.44299257      -0.69819312 
O       7.56379353       8.84902447       4.39490709       0.09068926      -3.09160296      -0.35221734 
O       7.34718092       1.66504807       4.36193635       0.39205909      -2.47184118      -2.45167866 
O       3.77238931       9.13347696       6.66107611      -1.85332502      -1.66265057       1.32774912 
O       9.05695412       7.04449721       9.18534945      -0.77671832       1.85332303      -1.58718905 
O       7.16389646       1.77796707       9.34708542       0.40015644       3.93828917      -1.12175327 
O       7.57446511       9.27770678       9.84694826       0.11862608       1.59344859      -1.80136510 
O       5.81454082       7.48002132       9.08640611      -0.56377493      -0.82078823      -0.38949134 
O       9.27632534       6.96165166       3.77499022      -1.37458349       0.09528860      -1.19427844 
O       5.05871114       7.30959384       6.51555914       2.34312271       0.30106687      -0.46392333 
O       7.29398275       8.97580697       1.45708305       0.81728986      -2.09616222       3.09217907 
O       9.42134948       7.13667321       0.85489345      -3.11407612      -1.06646575       2.79880311 
O       7.27675071       5.35287196       9.38441755      -0.64961502      -1.22831478      -1.29065476 
O       3.65493332       9.01971774       9.31370302      -0.75863716      -1.04563779       0.18761330 
O       9.21179384       0.17212994       8.92762649       0.35602719      -1.14249411      -0.42623574 
O       7.12677074       5.70555130       6.66589211      -0.29864780      -3.57849347       3.84762096 
O       5.77302174      10.69292332       6.39244801       0.82637318      -0.42465874      -0.87764110 
O      10.70733222       5.48487423       6.58546618       1.52486582       1.11550560       0.59028722 
O      10.92625742       9.13656809       4.09644158      -0.21147887      -1.85158833       1.64640567 
O       1.71258210       7.02726616       3.62608324      -0.35478500       0.46778932      -0.38826795 
O       3.20541576       9.39275004       4.04973031       0.52006877      -1.20329764       1.75416672 
O       3.78247124       5.23692933       1.39242260      -3.06591538      -0.08649099       0.16867241 
O       5.41318233       7.14595634       1.08718971       0.01063592       0.94205035       0.26225297 
O       8.92664872      10.52738386       3.54515202       0.86176415       2.72349073      -2.41573373 
O       9.30997407       3.43578900       8.91555099      -0.23085778       0.69762692       2.18943379 
O       7.24919747       5.37437749       1.18700846       0.45204817       0.48167636       2.66498853 
O       8.69222220       3.22858036       1.12195791       2.42429883       0.14836581      -0.73375168 
O       8.63863607       3.65254097       3.82292063       0.49132757       0.34056565      -3.24441054 
O       6.92025387       5.36950887       4.04787715       0.96529009       1.64599373       0.24399938 
O       3.63976123       9.03767912       1.66806934      -4.09230908      -0.81609527      -2.67940765 
O       8.87448008       3.84008567       6.37863456       0.74271878      -0.43897867       0.57849271 
O       7.44881776       1.74780991       6.68518852      -0.22959539       0.13994853       2.76755809 
O       1.68968811       3.64073051       8.59300612       1.32259929      -1.63392687       1.46865116 
O       7.17419291       8.68668635       7.12488921       2.63173283       0.59919220      -0.58366339 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.010631264517825126 -0.0007510643236069371 0.004728676377899622 -0.0007510643236069371 0.006547177604403102 0.006009267458410788 0.004728676377899622 0.006009267458410788 0.001528395052211712" pbc="T T T" energy=-1066.88130008 free_energy=-1066.88130058 config_type=crystal 
Hf       1.63284039       1.84807221       2.47434138      -0.00930170      -3.31327775      -0.34885078 
Hf       3.61851525       7.27154223       0.12935652       0.55366978      -0.77857663      -3.52953211 
Hf       5.35581726       5.22942468       2.57305960       0.56277134       1.16326392       0.44733069 
Hf       8.98967168       5.35578231       7.52120816       1.63217629      -0.02096864       0.33221687 
Hf      10.94492874       7.06940085       5.21087427      -0.42682997       1.41736620       0.98133134 
Hf      10.74033322       0.21333151      10.39916850       1.18926860      -4.84802430       3.56685226 
Hf       7.16598829       3.48739242       5.42919201      -1.07889770       0.70867937       0.43596948 
Hf       7.12315373       7.03908461       4.79188940       1.70856469       0.28942132      -1.11797991 
Hf       1.81089336       5.62237170       2.66108399      -2.26280092      -0.95635926      -0.56999352 
Hf       0.30473818       3.56659137       4.87156502      -5.17487463       0.61100547       1.11414657 
Hf      10.71543429       3.71503410      10.29183675       0.59521649       0.48401564      -0.23582268 
Hf       1.81905996       5.50509244       7.82735695      -0.26502851       0.00676819       1.32726306 
Hf       9.10437815       9.04564205       8.14250148       2.74644936       4.05638985      -1.52652882 
Hf       1.67430490       1.80563930       7.89664867       1.75352741       0.33352879       0.17994357 
Hf       7.11280020       7.04198927      10.57231863       1.92009465       0.29239348       0.29514931 
Hf       9.24000938       9.23910376       2.68675632      -0.72101951      -2.07719301      -0.60192824 
Hf       5.57314946       8.97302218       2.52031989       1.62107611       0.76023456       1.75509889 
Hf       5.51846347       9.01609547       7.80091997       0.16591396       0.26889538       0.45262331 
Hf       0.01371845       0.10876952       5.12472293      -2.69480146      -4.34037018       3.31943594 
Hf       3.59924321       3.66887582       5.46057541       0.81805398      -3.89129802       0.57191887 
Hf      10.90553283       7.12958479      10.32064591       0.99664197       1.55916015       0.49646127 
Hf       1.64290402       9.41360851       7.66261850       0.16299659      -3.32662776       2.11915958 
Hf       7.09850799       3.49474926      10.52385102      -1.37127543      -0.00893909      -0.48896037 
Hf       9.26539049       5.17055043       2.23054019      -1.40658661       0.90450798       1.83660685 
Hf       3.64605524       7.00569960       5.27465400      -0.02544576       2.26873990      -1.20762962 
Hf       3.63794396      10.75254281       0.12262263      -1.43912833      -0.36921118      -0.89286976 
Hf       7.20818872      10.82921761       5.63503684       2.07482608       0.58296600      -4.39053065 
Hf       5.16942196       2.02504623       2.62959228       1.28256245      -2.27169211       2.57267775 
Hf       5.43870894       1.67323768       7.94653259      -1.34360453       0.57516775       1.71318228 
Hf       1.86382924       9.04372376       2.68840115      -0.47009544       1.32734624      -0.14914895 
Hf       3.46542673       0.02791972       5.13364438       2.73097462      -0.56425822      -0.28257238 
Hf       3.38239252       3.38044225      10.61716238       0.56732963       2.23667156      -1.41707418 
Hf       7.14118314      10.66619079      10.42402760      -0.50151043       0.24972332      -0.55041374 
Hf       8.84363773       1.50019993       2.42035340      -0.75897030       4.32182834       0.59435266 
Hf       5.33411803       5.38552906       8.12408929      -2.03301777      -2.02814298       0.96533532 
Hf       9.09168683       1.83525479       7.67216579      -0.68541382      -1.20753879       1.70950631 
O      10.93699342       8.76800112       1.56842002      -0.77647954       0.17618943       2.37068018 
O       5.20161255       7.13890155       3.52646050      -0.24562890      -1.08216437       0.03022651 
O      10.74637239       5.54793193       3.84529606       1.30605426      -0.74855423      -0.01892446 
O      10.80478408       1.65087889       4.20125223       2.17586984       3.29697303      -0.46437890 
O       2.11894880       0.01145406       3.53775317      -2.13526325      -1.63075417       0.10478591 
O       1.79055792      10.88099194       1.08148959       0.64564805      -0.27972022      -1.06986360 
O       1.44288931       2.92323873       0.70802469      -1.47016074       0.66840898      -0.68007518 
O      10.58775339       1.77947900       9.45603894       1.01919135       3.89907900      -1.81108504 
O       1.46474084      10.91863631       9.01563727       0.27930275       1.64461474      -1.52186773 
O       1.68974629      10.81217774       6.25856353       0.34332276       0.51961275       0.02097413 
O      10.89229250       1.54707912       6.80517463       1.39852947       1.02917264       0.60394301 
O       1.52648600       3.53622912       3.42586243       0.08023218       2.80991804      -0.69873270 
O       1.99291886       7.04264301       1.10049647      -2.35194952      -0.30015314       1.74931735 
O       1.91607731       7.10265089       8.97444809      -1.52519710      -0.05889733      -0.37903537 
O      10.71297094       1.27795418       1.91249521       0.10230897      -0.93227440      -2.96587083 
O       3.70329694       5.40980021       6.78157984      -1.06741391       1.07422078       0.13773506 
O       3.62158501       1.67694640       7.00761361      -2.15985935      -0.78638270      -0.13803113 
O       5.29859462       3.30246434       9.28829844       0.19045323       0.81240648      -1.30254944 
O      10.93960270       5.37256241       1.13889682       1.74826797      -0.85493487       0.36317605 
O       1.85987654       7.28395921       6.23693957      -0.65693376      -1.05370917       1.07132677 
O      10.77039890       8.87054972       6.76289023       0.87984277      -0.39846758       1.59758137 
O       3.08239654       1.91873830       4.41536196       1.24038147       0.85446546      -0.05715204 
O       5.12756401      10.94589605       3.86148605      -0.26422677       1.74520071      -1.48301160 
O       5.42455565      10.58790820       1.24044331       0.32174014       1.17478672      -2.31927796 
O       3.47958353       2.00250602       1.58930505       1.81926770      -1.36911493       0.59198584 
O       3.60055618       1.65255396       9.62344473      -0.86260291      -2.59766552       0.26235642 
O       5.29413575      10.60808652       9.17006346       0.80225973       0.79715825      -0.01591001 
O      10.91679987       9.16907848       9.84597252      -1.53630322      -0.98089158      -2.27417739 
O       3.30314252       5.13452228       4.27920776      -0.87282629       4.43608825      -1.41114940 
O       5.18433110       3.64180442       3.79659228      -1.69516869      -1.95106677      -0.43294035 
O       5.23573414       4.05966692       1.01436395       1.27046577      -2.93276816      -1.16832601 
O       8.80192605       6.74852043       6.01963137       0.35164320       0.45432685      -1.36612720 
O       3.53598425       5.16555372       9.50931659       0.28577494       1.40771518       0.20137022 
O       5.23765921       3.45280871       6.59644764       2.38913783      -0.38701457      -0.42334618 
O      10.82724377       5.46941926       9.12879010       0.32576019      -2.04606892      -0.26338418 
O       9.16260305      10.79726958       6.28979642       1.37121325       2.28955405      -0.92025787 
O       1.75906315       3.56147634       6.32747782       0.66341040      -0.83367263      -0.15837036 
O       6.84052475       1.98890447       1.52904075       0.92061607      -0.08128096      -0.97132442 
O       8.75642534      10.81271393       0.97916325       1.34496044       0.98786391       0.33262569 
O       6.93512543       9.13340673       4.04689715       1.36043367      -1.03889383       2.37147264 
O       7.06330800       2.02218025       4.26509075       0.15180947      -1.73592308      -0.88440656 
O       3.64388321       9.29997902       7.34831249      -1.27410205      -0.57325861      -0.91975289 
O       9.40043195       7.24760479       8.44653755      -0.54212833      -3.51864114       1.36096373 
O       7.20045685       1.88833387       9.23196378      -0.10964643      -2.39305992       2.46660569 
O       7.24270242       8.92470633       9.34067103       0.25356900      -0.85568517       2.32811248 
O       5.19254646       7.20931555       8.98546196       0.36220173       1.55525522      -0.98631711 
O       8.71465998       7.03523840       3.23194621       0.25928601       1.23230862       0.67811319 
O       5.55975707       7.33384769       6.01241396      -0.94881493       0.88892945       2.18667723 
O       7.48336816       8.81569686       1.60982242      -0.99075702      -0.06226084      -1.56815708 
O       9.10167454       6.74993967       0.39755287      -1.21276788       0.05848909       0.10885051 
O       6.70886332       5.36493627       9.54808629       2.77378211      -0.54698077       2.07806094 
O       3.16357831       8.89583781       9.88775416       0.97934533       3.21948649       0.87384745 
O       9.01257443       0.05065846       8.96702735      -0.15713599      -1.04867635       1.15964224 
O       6.99683269       5.26488027       7.08685195       1.96826008      -0.55180557      -1.12035670 
O       5.47677216      10.74009394       6.44251729      -2.14080330      -0.04760045       1.10576359 
O       0.00241437       5.17710683       6.40552954      -0.16495323       2.16460298       0.75681102 
O      10.65700999       9.15589173       4.30814299       0.12428472      -0.51290804      -1.47978625 
O       1.64928261       7.31374617       3.84102033       0.38036441      -0.57530556      -1.19488873 
O       3.41356322       8.99647744       4.47385303      -0.38144757      -0.64562689       0.82587643 
O       3.18848590       4.70619275       1.69765984       0.57665350       1.61539337       0.29080608 
O       5.51436012       7.24382596       0.96704013      -2.79912141       0.56429146       1.26807415 
O       8.81659964       0.15512600       3.72822347       0.13889910      -3.24700101       0.47396843 
O       8.93135191       3.50514169       8.91293817       0.58737948       2.47049936      -0.08012260 
O       7.13511790       5.50575374       1.57653165       1.76887302      -0.87612606      -0.05505709 
O       9.06083397       3.45139111       0.97374650      -0.32955269       0.36451842      -1.79989284 
O       9.49456744       3.36662958       3.41693269      -1.28705060       1.69746490      -0.47657721 
O       6.81856071       5.08875786       4.19705293       1.60806496       1.77390896       0.72710775 
O       3.67496801       8.86810993       1.89972755      -1.36432568      -0.16444963      -1.54052238 
O       9.04379761       3.46754814       6.29555096      -0.67687498       0.39743556      -0.31137734 
O       7.18407073       1.57469996       6.89911033       0.54571854       0.71528622      -1.42910541 
O       1.73353786       3.62575191       8.90288845      -1.00135914      -1.18135748      -0.45326737 
O       7.56218300       9.56054765       7.12736662      -4.37812624      -2.36315301      -1.33456399 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.005197250828589797 -0.0036934506116093743 0.0074887033078843935 -0.0036934506116093743 -0.008741693723508864 -0.00332047088375539 0.0074887033078843935 -0.00332047088375539 -0.0025433046376406093" pbc="T T T" energy=-1066.49225882 free_energy=-1066.49225934 config_type=crystal 
Hf       1.65256897       1.85648127       2.50586477      -0.50989714      -2.35060918      -0.78231454 
Hf       3.58895278       7.23728293       0.15397116       1.09355377      -2.29780844      -0.57863491 
Hf       5.35871973       5.21718387       2.59843921       0.95333626      -0.68567487      -0.23366850 
Hf       8.95273243       5.34043931       7.54544919       1.65878016       1.95050637      -0.18091516 
Hf      10.90413693       7.09806996       5.16101820      -0.61092157       0.80147133       0.70374154 
Hf      10.75081001       0.13502766      10.40842178       0.26625489      -0.78985196      -0.15835855 
Hf       7.18797797       3.45493702       5.39745648      -1.96745104      -0.44571331       0.28149577 
Hf       7.02131354       7.07637807       4.76649119       2.59424907      -0.15022846       0.73494110 
Hf       1.81401888       5.56995415       2.63521948      -1.93800038       1.18475321       0.51292856 
Hf       0.26751123       3.58928837       4.92832196      -2.59632897       2.09082398       0.86914402 
Hf      10.78604812       3.67293633      10.29421392      -0.60479745       0.10805973      -0.82731257 
Hf       1.78510710       5.51521994       7.93743895      -0.70352553      -0.99990199      -1.85218487 
Hf       9.10233869       9.08640407       8.13318655       2.56067591      -0.25206210       0.60627282 
Hf       1.76468215       1.82558776       7.88416300       0.21117899      -1.59208579       0.05785790 
Hf       7.09898216       7.07955191      10.55425305       1.33650332       2.64416045       3.74971337 
Hf       9.31343189       9.14876792       2.65911953      -2.04114227      -1.71549085      -0.74426822 
Hf       5.60572373       8.96686907       2.51998731      -0.20974512       0.85594700      -1.05769196 
Hf       5.58443885       9.02778750       7.86055876      -1.63723485       0.34472436      -0.37241471 
Hf       0.01775179       0.15958718       5.10330283      -0.51382814      -2.16155698       2.10842969 
Hf       3.55841359       3.64629254       5.41555128       5.44660748      -1.93574879      -0.93321969 
Hf      10.93013135       7.09874683      10.31997607      -1.24774419       1.78597490       1.09828710 
Hf       1.63643801       9.39302482       7.65893417       0.54614454      -2.07342369       1.77480781 
Hf       7.06585089       3.56450710      10.57076615       0.18217199      -2.13413257       0.48877127 
Hf       9.22073011       5.14196064       2.23963266      -1.74614911       2.78946978       1.59336891 
Hf       3.70743897       7.00397721       5.22498256      -1.35621735       4.21367235       1.46831298 
Hf       3.56778064      10.70522702       0.11453640       2.08930656      -0.18172611      -2.36389173 
Hf       7.32285564      10.78670471       5.61235700       0.16127151       2.16167257      -4.71784186 
Hf       5.18108867       1.94765349       2.63348228       0.10199547      -3.67018431       5.21384171 
Hf       5.38163146       1.73132026       7.95329667       0.31068174      -1.89026985       0.98018247 
Hf       1.91509806       9.11105781       2.65726658      -1.05548618      -0.05630188       1.17116769 
Hf       3.49977719       0.05984660       5.17469729       2.17322534      -0.66760565      -0.22761250 
Hf       3.34808666       3.42070500      10.58832356       1.45600783       0.61775702      -1.12624792 
Hf       7.09567652      10.71641792      10.44486756       0.55569614      -0.81570833       0.45551380 
Hf       8.77229851       1.48627036       2.43871946       0.32559538       2.95875374      -0.10001550 
Hf       5.31011212       5.37693649       8.11922536      -0.46992833      -0.59287323       1.33045751 
Hf       9.07025153       1.86555394       7.63289270       0.96979951      -1.91107996       1.81163286 
O      10.81853594       8.68023392       1.48197479       0.85161990       0.82030248       2.43851871 
O       5.22379012       7.00576128       3.51503358      -0.25663522       1.23349270       2.15343885 
O       0.04002172       5.44689986       3.99839129       0.06793200      -0.01613204      -2.04451084 
O      10.92450238       1.82449983       4.08817232       0.68553036      -1.28457315      -0.83379115 
O       2.07713489       0.07563573       3.61222228      -2.32140164      -1.92317521      -0.39630965 
O       1.93163450      10.91379957       1.10993534      -0.75107954      -0.65363228       0.00473414 
O       1.49336821       3.01828542       0.68069721      -1.02166866      -0.45643436       0.40339599 
O      10.65219100       1.81006486       9.19470807       1.20626422       0.57183483       1.43398646 
O       1.59389290       0.03684897       8.90541762      -0.68268521      -0.64251742       0.84118288 
O       1.74776784      10.92420580       6.39393001      -0.45480655      -0.94142071      -2.32856215 
O       0.11918813       1.60388916       6.69456139      -1.29624361       2.38101586      -0.16134851 
O       1.47162197       3.63404341       3.32535206       0.67270939       1.15454594       0.18634225 
O       1.85164529       6.95749835       1.14502688      -0.55702736       0.81545668      -0.73060543 
O       1.80090280       7.13982306       8.80623141      -0.37751690       3.12912535       2.12575582 
O      10.71911101       1.21393466       1.50338585       0.55799736       1.54137135       1.68623541 
O       3.60115328       5.45149283       6.87418490       2.42529559      -0.01938008      -0.43859663 
O       3.57549805       1.52507936       6.85132160      -0.27908534       1.00807465       0.39378828 
O       5.53196805       3.42478578       9.16239315      -1.00096388       0.05885548      -1.14473084 
O      10.82839503       5.39533862       1.13353226       2.51359472      -1.17260903       0.22120377 
O       1.75651161       7.00881384       6.25138268       0.25789947       0.29557615      -0.01949982 
O      10.72556245       9.07294112       6.84393498       1.04448828      -1.19276870       0.91740284 
O       3.08089710       1.95647373       4.38396177       0.25778403       0.33242204       0.07898340 
O       5.06900934      10.95272777       3.69534765      -0.58057768       1.28913241      -0.43134768 
O       5.51453256      10.54872943       1.17517094      -1.98261344       1.28284766      -1.36652224 
O       3.58803434       2.06935646       1.67751480      -2.28927234      -0.68575231      -2.35080777 
O       3.54777915       1.51415941       9.40630776       0.30744701       1.08960666       1.56033308 
O       5.33386210      10.58469316       9.24452800       0.56328329       0.14995123      -1.05492785 
O      10.69582206       9.14173143       9.82846294       0.54808834      -0.93948535      -2.13555883 
O       3.47170649       5.34961452       4.23864633      -1.46260153      -0.45421198      -1.52834117 
O       5.01499473       3.48090351       3.82404879       0.43513909       0.76220350      -0.58074994 
O       5.32443577       4.03498119       0.94376379      -0.43083843      -1.60059680      -0.11100775 
O       8.69645461       6.82661863       5.98088069       0.85539449       0.25390714      -0.14721278 
O       3.67471942       5.24834274       9.55481243      -1.19314484      -0.15195740      -0.17105854 
O       5.39799852       3.24170510       6.65526066      -0.46856620       2.36223594      -2.23782048 
O       0.04185959       5.45698552       9.14373713      -0.43834281      -3.12264006       0.70409763 
O       9.30757010      10.90193795       6.17507380      -0.98987584       1.58256257       1.13845628 
O       1.92717037       3.68511491       6.25057626      -4.46421860      -0.52658930       1.23020804 
O       6.69348833       2.01069869       1.60127384       5.39825257      -0.30829711      -2.65812363 
O       8.84942009      10.86545710       1.06256954      -0.69489420       0.47768905      -0.00256495 
O       6.88463350       9.00455387       3.96218158       1.62202729      -0.12084717       3.21318944 
O       7.25430559       1.88240667       4.38521078      -0.94560808       0.12752053      -2.14279591 
O       3.60798018       9.23137024       7.34260769       0.08440692      -0.51975843      -0.94066621 
O       9.52034559       7.10070937       8.60473172      -1.63482089       1.11746142      -1.15299434 
O       7.20625959       1.55706091       9.33559961      -0.76905295       0.06623870       1.30749886 
O       7.31059610       8.83537428       9.55649245       0.20171065       0.91593984      -2.29310540 
O       5.14528370       7.25263809       8.98764909       1.28877215      -0.00911739      -0.09774577 
O       8.87700883       7.24560850       3.44970753       0.26513410      -0.06997563      -0.71297162 
O       5.66077424       7.46593443       6.26473324      -1.71852190       0.17597969      -0.84628428 
O       7.37340904       8.93220417       1.40427212       0.04507149      -0.61816379       0.89548613 
O       9.05908134       6.88721649       0.41654222      -0.80843223      -0.32291741       0.46068032 
O       6.95003326       5.34814774       9.84427230      -0.06818930      -0.76527092      -3.14136681 
O       3.34602814       8.86271881       9.94516947      -0.71297353       3.54200830      -0.22774510 
O       9.15976446      10.94079428       9.14586654      -1.73040143      -1.15587424      -1.88354468 
O       6.99966449       5.49607630       7.11118619       0.44118517      -1.63503448       0.29137691 
O       5.48821329      10.80273191       6.38399179      -1.62643092      -0.47759664       0.58908551 
O      10.79790426       5.32725990       6.30522813      -0.39748297      -0.76451994       2.55030139 
O      10.61706036       9.17591733       4.29233437       0.42513289       1.06668429      -0.90592498 
O       1.58970475       7.47994967       3.87087283      -0.53260045      -2.48114928      -2.23241308 
O       3.27390369       8.91440791       4.32879662       1.44463936       0.98372451       2.03444563 
O       3.14410183       4.78187756       1.39759254       0.30658327       1.85545608       2.47768102 
O       5.46725151       7.21204041       1.19596041      -1.54847766      -0.63807511      -2.07472103 
O       8.64060355       0.20454699       3.82358356       1.84293515      -3.30478538      -1.06850251 
O       8.91625487       3.44934595       8.85982644      -0.06834822       2.79323905       0.97658892 
O       7.15210101       5.51095116       1.72269719       1.67272730      -0.69480702       0.47452948 
O       9.00964973       3.56250171       1.07062611      -0.64922389      -1.41648073      -4.13109530 
O       9.35152042       3.50165351       3.31487314      -0.17341968      -0.37526358       2.36550672 
O       6.78355848       5.04131772       4.26039369       0.50331961       1.78353795      -0.03025481 
O       3.61360499       8.63226954       1.86688234      -0.04431768       0.93955363      -1.08307114 
O       8.88219529       3.53859802       6.41680128       1.25459851      -0.12512362      -1.19432092 
O       7.22911939       1.54937254       6.72428252       0.50743904       0.49060703       2.20260336 
O       1.51105240       3.54699689       8.93592105       1.93075969       0.31585306      -0.81276335 
O       7.49094369       9.46893412       6.99347193      -0.78685110      -2.44004334       1.69092022 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.026780690632332065 -0.003405502201920534 0.007675796600913677 -0.003405502201920534 4.685769285692975e-05 -0.0010840859662105988 0.007675796600913677 -0.0010840859662105988 -0.003080709783129548" pbc="T T T" energy=-1062.88402989 free_energy=-1062.88405764 config_type=crystal 
Hf       1.67958986       1.82150490       2.54029189       0.01810166      -2.22774326      -2.59473353 
Hf       3.53505847       7.12695349       0.17415850      -1.06553419      -0.31095937      -1.15053059 
Hf       5.38190109       5.18222163       2.64297515      -3.28443727       0.41856580      -0.46904948 
Hf       8.91385244       5.36403580       7.60418058      -2.23876483       1.70138003       1.24509331 
Hf      10.80333680       7.16438882       5.07553244      -0.12613111      -0.71047048       1.64421553 
Hf      10.77602809      10.90462009      10.41329316      -0.61761669       1.58941750       0.38227389 
Hf       7.19545347       3.38239220       5.32798863       0.16476931       0.47921419      -1.54335957 
Hf       6.89965133       7.14002104       4.78332263       4.88106297      -0.24786195       6.86011860 
Hf       1.76808772       5.52314124       2.58744149      -1.09007324       1.03331860      -1.13069217 
Hf       0.12317414       3.68202006       5.06550940      -1.49191239       0.42552250      -1.34797826 
Hf      10.89388572       3.57226406      10.29054065      -2.35616377      -3.04977776       1.79884170 
Hf       1.70576539       5.53622632       8.10803238       1.60556106       1.76276425      -4.96935637 
Hf       9.14782231       9.14217022       8.12444366      -0.00827403      -3.99393589      -1.28885626 
Hf       1.93238543       1.82472815       7.85783943      -3.51266741      -1.10498065      -0.18343776 
Hf       7.09905962       7.20747822      10.59269357      -0.18963983      -0.68849283      -0.67747679 
Hf       9.39438610       8.94752088       2.59644596       0.71633711       0.94956848      -0.79861795 
Hf       5.66570948       8.97684560       2.49800377      -6.53209017       0.32000303       3.70010043 
Hf       5.66461727       9.05292417       7.97571366      -1.99584663      -2.75877410      -2.78797462 
Hf       0.03267496       0.21547549       5.09736165       0.32311612       0.34015948      -0.87004637 
Hf       3.57191851       3.56339529       5.31835344      -0.11776175       1.15038496      -0.27057387 
Hf      10.94413684       7.07378621      10.34363441      -2.13304816       0.87535788       0.42375305 
Hf       1.65370905       9.30024514       7.70383713       1.82008942      -1.56677737       1.08286128 
Hf       7.02534448       3.64025787       0.03032209       0.73635342      -0.97055924      -3.70464530 
Hf       9.11958782       5.13995032       2.27868488       3.27521866      -0.32589727       0.40792211 
Hf       3.79104135       7.11542372       5.18054654      -3.77641172       1.47778193       2.52992122 
Hf       3.48765087      10.65250017       0.04208786      -1.68061685       1.06734329      -1.84367186 
Hf       7.55762990      10.73725601       5.47077723      -2.24450854      -0.03783018      -0.39800869 
Hf       5.22526458       1.71960106       2.70495316      -0.36043729       3.90198229      -3.42114749 
Hf       5.27436247       1.79379849       7.98835664       2.69775163      -2.24226232      -1.00116448 
Hf       1.97831758       9.23284153       2.62794691      -3.14502921      -2.31820139       2.39944805 
Hf       3.61124211       0.09529912       5.25506114      -1.23459528      -2.55323167      -0.97307937 
Hf       3.30117340       3.51949909      10.51867746       0.72153189      -0.16256933       2.01867641 
Hf       7.02273848      10.76435151      10.51584824       1.57774512       1.23880531      -1.32223675 
Hf       8.64074959       1.52574122       2.48256611       6.70259987      -0.55902370       3.28829684 
Hf       5.26745964       5.36619457       8.13163386       1.94996996       2.46700785       0.16229584 
Hf       9.07060782       1.90499970       7.61090289       1.90533752       2.99569769       3.33505547 
O       0.12622649       8.73652958       1.59572507      -1.25819768       1.94910434      -0.38732449 
O       5.23839140       7.12724568       3.77704916      -0.15689030       0.48746579      -3.69933818 
O       0.24479517       5.46097722       4.05127045      -2.36190421      -0.74065502       0.02727719 
O       0.19496794       1.82372930       3.80970953      -3.94678836      -0.08762354       2.92479613 
O       1.54743300      10.84559978       3.70501919       2.65417660       1.25844515      -1.00155784 
O       1.83790406      10.78469187       1.26198755       0.95645699      -0.18709879      -2.55552394 
O       1.58276336       3.11089298       0.74710518       0.59898887       1.11020338      -1.29874354 
O      10.89608098       1.84530133       9.03474481      -0.58645431      -0.85302686       0.77701046 
O       1.61527441      10.90644283       8.94063873       0.13549506       0.26364993       0.77176493 
O       1.68792836      10.87702718       6.11182561       1.13627437       0.38466726       2.50166485 
O       0.10703442       2.22108775       6.39341068      -0.80699943      -3.38686708       2.43888879 
O       1.61214209       3.59109326       3.25745454       0.05529932       2.66147070       1.62130856 
O       1.57361696       7.09325360       0.86088725       2.79350610      -1.20752228      -0.23108076 
O       1.46070224       7.63045695       8.92369302       0.99212248      -3.36231638      -0.94253098 
O      10.87945437       1.56273426       1.20326657      -1.50306717      -1.13301944      -0.31832221 
O       3.85896110       5.44655880       6.85391763      -1.67598622      -0.66473634      -1.96489247 
O       3.56626937       1.69525102       6.71102103      -0.12467741       1.16656005       0.49198144 
O       5.71884673       3.53609425       8.72549023      -0.67640474      -0.14451056       2.18533540 
O       0.04524718       5.13227838       1.24666499      -1.72061212       0.05948084       0.55531909 
O       1.64536868       6.61350811       6.23090251       0.73532514       1.91117904      -0.01978910 
O      10.79617256       9.18718623       6.99598112      -0.65257801      -0.22236928      -2.20928834 
O       3.08242732       1.91643415       4.27491003       1.18365511      -1.34281670       0.26553852 
O       4.80626759       0.08335675       3.38291064      -0.11189722      -3.49972719       2.19017871 
O       5.17770196      10.73380728       0.97429623       3.01932022      -0.19159598       1.05903457 
O       3.53764595       2.00666218       1.44233436       1.70503385      -1.58903920       1.17961975 
O       3.62104915       1.64945209       9.32515800       0.07495727       0.07693093       0.28818466 
O       5.48167892      10.66350372       9.03238613      -0.37126722       1.40625947       0.42033043 
O      10.54459694       8.89651972       9.54065152       0.64075782       3.01136242       2.68089613 
O       3.44741036       5.45211064       3.80537417       0.70787328       0.07330044       2.81048467 
O       4.92524164       3.48117390       3.68487160       1.26467420      -1.19676907      -0.56383473 
O       5.21564006       3.68222702       0.96048778       1.97858503       0.57271688       0.15335243 
O       8.73282064       7.05674339       5.86364176       0.24893429      -0.23414206       0.30421907 
O       3.59093100       5.35907065       9.53886032      -1.24533416       0.21271550      -1.47300080 
O       5.44371627       3.31584216       6.22571811      -1.72293642      -0.72620059       0.56558062 
O       0.23018370       5.18557165       9.32161801      -0.37190970       2.78372762      -0.14174932 
O       9.22071641       0.45982113       6.31997587       1.45739285      -3.33165564      -2.06470352 
O       1.67656107       3.86157499       6.26495719       3.71871454       0.46741761      -0.25172833 
O       7.22635399       1.88617773       1.45625474      -6.21363869       0.55104589      -1.60638893 
O       8.86013396      10.95269107       1.17593516      -0.00215832      -1.91257482      -2.00444707 
O       6.94682249       9.07212150       4.24271107      -1.61212681       0.39696410      -1.78668328 
O       7.30975709       1.67925307       4.10802198      -1.53341430      -0.61619214       0.50987993 
O       3.50425020       8.98514696       7.08131562       0.16083081       0.53442355       0.41448505 
O       9.38305617       6.99327254       8.64435206      -0.21874689       1.19036616       0.23161255 
O       7.05699636       1.57667851       9.49719931      -0.39800968       0.57176920       1.25920918 
O       7.45810648       8.89741208       9.38759764      -1.91442515       0.33255226       1.83896429 
O       5.35253704       7.27233259       9.09948871       0.60005678       0.18020059       0.20552367 
O       9.22003988       7.34444389       3.64500945      -0.89054581      -2.22039760      -2.55661222 
O       5.39827538       7.56882354       6.27459737       1.10285449      -0.74991346      -1.19176871 
O       7.08528179       8.92702834       1.41098870       3.44761253       0.01653739      -2.16992884 
O       8.93877547       7.07063329       0.67945500       1.23145167      -0.04758666       1.47231257 
O       7.37895047       5.46315331       9.74619331      -2.22466793      -0.39965327       1.46650074 
O       3.50307133       8.92940031       9.83946587      -0.06829524       0.99388746      -0.20914883 
O       9.04746677      10.83320734       9.06842684       0.46418804       2.62387820       0.77201565 
O       6.94690653       5.51223312       7.18619313       0.17773724      -0.56458346      -1.52766756 
O       5.28568813      10.86994084       6.30291569       1.89908708      -0.07543393      -0.20454121 
O      10.49536221       5.42747213       6.58519355       3.30429781      -0.65874209      -1.76052446 
O      10.73999534       9.44573161       4.17218224      -0.54383550      -3.33844493       0.36023047 
O       1.37944925       7.32222074       3.44140129       1.02113895       1.69335793       0.53888801 
O       3.38306259       9.00171999       4.48025105      -0.01817676       0.30549889      -0.74095397 
O       3.37201478       5.26441760       1.27109936      -0.41484442      -0.74083550       1.13616709 
O       5.23035321       6.90793034       1.21202838       3.29116493       0.53296626      -0.10056639 
O       8.74793904      10.53986373       3.66083285      -0.84559728       3.45365991       0.84271933 
O       8.90001819       3.78697832       8.85017775       1.06132135      -2.36384678      -0.82200437 
O       7.23762771       5.37972095       2.04439653      -0.29483985      -0.09932570      -2.39324865 
O       8.91701521       3.57656659       0.58195848       1.47335239       0.88111335       3.18267953 
O       8.98413791       3.61455334       3.66493660       0.31930767       0.41286450      -1.65946280 
O       6.76212910       5.14872235       4.36710099      -0.49596505      -0.17608584       0.28537343 
O       3.57009850       8.56231658       1.69842811       1.86992110       1.81879795       0.80866068 
O       8.87107462       3.53276078       6.28140663       0.32393704      -0.50681213      -0.09854581 
O       7.27803859       1.54269168       6.87898464      -2.53258436       0.21056301      -0.43657384 
O       1.87106951       3.52007921       8.79712044       1.14807065       0.80560515       0.82061205 
O       7.38665046       9.05537569       6.88292853       0.72147371       2.85157690      -0.50216585 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00446670954193966 0.001327057755304377 -0.0036032939159462737 0.001327057755304377 -0.018973374068347912 -0.004270704684595532 -0.0036032939159462737 -0.004270704684595532 -0.0001276920767311199" pbc="T T T" energy=-1067.73623966 free_energy=-1067.73624099 config_type=crystal 
Hf       1.77583722       1.72664139       2.61238510      -3.47572697      -0.43827453      -0.88330657 
Hf       3.54402946       7.18336418      10.08450673       0.22890284      -1.02385194       2.08659871 
Hf       5.38637388       5.56146861       2.39581051      -1.60659508      -1.09881617      -1.01457015 
Hf       9.07146951       5.31196467       7.84927788      -0.67199651      -1.33183778       0.74897408 
Hf      10.89749529       7.17135936       5.42571824      -1.95347479       0.77630964      -0.10705349 
Hf      10.78203910      10.63886719       0.08987362       0.95774711       1.50738031      -1.35826071 
Hf       7.43156754       3.84896386       5.18408068       1.17807046      -3.13089499       2.11701562 
Hf       7.36047887       7.63568527       5.08389375       1.34902015      -0.30018487      -0.99201473 
Hf       1.86628722       5.40490650       2.55646104       0.67511632       0.43879949      -0.30335914 
Hf       0.11373347       3.66273564       5.08825770      -1.79800831       0.63059369       2.94480893 
Hf      10.89805306       3.52486906       0.21178527      -2.70576053      -1.25591719      -1.80610399 
Hf       1.72892155       4.98863656       7.83779835       3.62242579       1.97465170       2.70290488 
Hf       8.77576214       8.86248742       8.01337763       0.62465403       2.38610111      -1.56481083 
Hf       1.74598431       1.64050805       7.85801035      -1.87395321      -1.07771103       2.26874507 
Hf       7.26556562       7.29159061      10.57564710      -1.86044118      -3.13201186      -0.51349403 
Hf       9.09160346       8.69118357       2.49186542      -1.03991177       0.44936209      -1.15259294 
Hf       5.16685048       9.20681127       2.45459058       0.69069482      -2.13332382       0.39997315 
Hf       5.39549738       8.96928498       7.71173054       0.27944445       1.66405091       1.29389113 
Hf       0.09048024       0.04941594       5.33405236      -1.63727392      -1.22510638       1.95347197 
Hf       3.61133732       3.34442451       4.89698831      -1.79873201       4.84938273       2.84529589 
Hf       0.29182840       7.04809220       0.06416557      -3.47405622       0.64337507      -1.20484351 
Hf       1.58596920       9.07971313       8.09497104      -0.84729657       3.23646201      -0.20359673 
Hf       7.12800833       3.61271920      10.34768183       0.36305214       5.37225242       0.27934566 
Hf       8.74879854       5.10415279       2.57914396       0.44548792       0.06300022      -2.22516239 
Hf       3.37811815       7.28591069       5.14594851       0.45209181       0.86914798      -1.19444628 
Hf       3.57085139      10.84710645       0.18397385      -3.09251649      -0.67346315      -2.37376081 
Hf       7.11246593       0.16943158       5.05447618       2.31778487      -2.21892200       1.41028793 
Hf       5.27182265       1.87133323       2.72811471       3.11956873      -4.35677203      -2.71666971 
Hf       5.60769242       1.79482824       7.79976906      -1.13864460       1.11400669      -0.92914264 
Hf       1.65796644       9.21762879       2.77574815       0.17038244      -1.47215725      -1.65225019 
Hf       3.63694752      10.88550022       5.29106869      -0.46477574      -3.43550998       2.16242603 
Hf       3.71123270       3.42555708      10.51505478      -0.77845100       2.21246962      -0.91842149 
Hf       7.20802953       0.14605772      10.46377496      -1.66911501      -2.56052073       1.33024029 
Hf       8.87160281       1.38407301       2.56914590      -0.22610219       2.01114092       1.75407012 
Hf       5.35456390       5.70672195       7.23934281       0.12033402      -3.86877979       2.86531394 
Hf       8.99145784       1.52690102       8.04058064       0.85511050       0.82955515       0.39162390 
O      10.91386246       8.76768811       1.62094790       0.09209770       0.02356791      -1.07930654 
O       5.17884839       7.13019756       3.42623360       0.48088234       2.99046584       1.14674080 
O       0.11970241       5.55099183       4.39950530       0.88567672       0.20999946      -1.19163092 
O       0.42800184       1.83865005       4.57565631       0.20361117      -3.69752925      -0.18960778 
O       1.81649823      10.56910080       4.20956209      -1.76671283       2.84273109      -1.20596156 
O       1.56958702      10.89205892       1.08500779      -0.55382790       0.44742260       2.02311745 
O       1.73413661       3.37182645       1.06524444       0.73177874      -0.89592931      -0.21660957 
O      10.25875885       1.61848606       9.99367395       1.10291211      -0.33080373       0.16422260 
O       1.72743405       0.08155285       9.23632943      -1.06043469      -0.67826169      -0.54486149 
O       1.86637859      10.73569818       6.67339777       0.84187462       0.91406431      -1.35307944 
O      10.73017821       1.63271834       7.02664270       1.23632361      -0.67701450      -0.31272671 
O       1.56074180       3.39551935       3.61426720       3.31553647       3.79110525      -1.22215331 
O       1.99307170       7.27160884       0.88348641      -0.23911919      -2.22260470       0.56342041 
O       1.82444998       7.34527720       9.00030993      -0.92882289      -2.08482207      -0.70424478 
O      10.72277568       1.90703631       2.07467377       1.59862631       0.02005525      -0.83646326 
O       3.36549476       5.97803743       6.99082244       0.54052990       0.13609173      -3.17030208 
O       3.36719568       1.88136837       6.92433783       4.23662388      -0.11925378      -2.08560013 
O       5.39557078       3.74840575       8.78208041      -0.04946440      -1.80196408       0.08682342 
O      10.64309489       5.46307070       1.74261924       2.27012491      -0.86181726       0.19594164 
O       1.60037513       7.81521138       6.24708931       0.58379041       0.19098536      -0.94683456 
O      10.66085621       9.75477890       7.21147793      -0.77566343      -1.99142008      -0.36146285 
O       3.84367770       1.58630313       4.24729472      -1.27082262      -0.78272619      -1.68819391 
O       5.56068767      10.74646584       3.63448143      -1.79806129       1.27597805      -0.58996213 
O       5.35342491      10.63416301       0.97395823       0.35583144      -0.48546517      -1.77958807 
O       3.51540362       1.31393676       1.71232775       0.23170732       0.95180503       0.25940804 
O       3.61505589       1.68649915       9.52849779       0.43297146      -0.21991938       0.66409630 
O       5.82103466      10.90531754       8.59033984       0.18540077       0.27631305       1.63441746 
O       0.17877080       8.93877273       9.71114759      -0.76126106       0.10626741      -0.46098404 
O       3.42960664       5.39301453       4.01107445      -1.42036258      -0.02233632       1.35875228 
O       4.96290432       3.58429791       3.34215714      -0.35215802       2.56062028       0.17086322 
O       5.34929450       3.03190636       0.94626862       1.17239828       0.80196693      -1.22914136 
O       8.87229961       7.12104229       6.38300053       2.04165085       0.95894972      -1.86775909 
O       3.29067514       5.14944074       9.43214303      -0.47345727      -0.15431140       0.43447569 
O       5.20045362       3.90690138       5.77384541       0.72800869       0.87020152       1.75338435 
O      10.71485340       5.24039997       9.78804606       0.78466282       0.80894991      -0.04569504 
O       8.33898038       0.24192228       6.71482494       0.61147397      -0.24076987      -0.05312091 
O       1.84351956       3.67967493       6.36743903      -0.18135702      -0.49423738      -2.54205602 
O       7.04732572       1.13697994       1.68283058       1.23700281       0.78358369      -1.19126691 
O       9.23889154      10.74720417       1.41085275      -0.96488569      -1.27097433      -0.47924122 
O       7.34222859       9.28518305       3.94127072       1.19213539      -1.29243450       0.26629858 
O       7.00352900       1.81130925       4.08627632      -0.07478516       3.04180637      -1.23333021 
O       3.91864041       9.06743770       6.36636572       0.11091867      -1.03555976       1.53612710 
O       9.14436098       7.15403080       8.75614788       0.43612350      -0.06909929       1.02518206 
O       7.30974262       1.89204248       9.58554225      -1.13985594      -3.54572912      -1.91929868 
O       7.03608629       8.71529740       9.23095413      -0.23482344       0.85283989      -0.86083349 
O       4.89249372       7.16042779       8.62419193       2.46413594       0.25693774      -1.77822142 
O       8.78082184       7.06037442       3.55991060       0.20981277      -0.79090814       0.15472116 
O       5.70173763       7.15414716       5.95957422      -2.80933233       0.00825735       0.72481583 
O       7.13119565       8.71380278       1.34441852      -0.03262250       1.42752209       1.80681417 
O       8.99815677       7.13852828       0.67153639       2.93401182       1.09694228       2.32090431 
O       7.22742023       5.43301576       9.45184027       0.53224045       0.68714200      -1.07864674 
O       3.68339099       9.23731431       9.29330278      -0.07367168      -0.06548671       0.12358490 
O       8.74387656      10.65232378       9.26000404       1.22365255      -0.64225334       0.23429500 
O       7.25095952       5.12977285       6.67568482       0.12394403       1.46836329       1.09460888 
O       5.46074693       0.21166619       6.14984969      -1.07831779       1.03078788       1.36232472 
O       0.21092261       5.65484934       7.05052830      -4.06605061       2.49162316      -1.48487586 
O      10.67071354       8.93530889       4.02058559       0.17239355      -0.05465485       2.10681816 
O       1.91332451       7.35317670       3.32840683       0.27505030      -1.43692816       2.49172019 
O       3.64904316       9.19358333       4.03406221       0.15050058      -1.21060065      -0.42102668 
O       3.45815951       5.14070497       1.34352622       0.61178371      -0.76793321       1.57862395 
O       5.09766432       6.95172213       0.83485704       0.99343590       0.93208636      -1.07044686 
O       9.17199858       0.21555799       4.23026494       0.59791575       0.68881859      -0.98062520 
O       8.88381514       3.47619867       8.74133158      -0.25503044       1.22462117       0.13375838 
O       7.10284799       5.34779188       1.25922401      -0.13489108      -0.14748487       1.66941197 
O       8.75558228       3.45304119       0.99036696       0.94280076       0.11372289       0.91195534 
O       9.08356833       3.47217081       3.81654887       0.19170085       0.36543499      -1.20495316 
O       7.08929246       5.23217793       3.84302262      -0.79509512       0.98442056      -0.55833775 
O       3.28387343       9.13153424       1.51563024       1.98261840       1.54186898      -0.31862418 
O       9.42316708       4.01102052       6.20700863      -0.83414996       0.18522237      -0.43955378 
O       7.19078774       2.37632320       6.62578421      -1.08352035      -0.93626036       2.15812717 
O       1.19405007       3.44380288       8.82071820       0.11300561      -3.27682071       2.10397193 
O       7.26307368       9.09170885       6.60445691      -1.32446066      -1.30233951       0.02796713 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009443499370528326 0.0006641813743784721 -0.008237572467765722 0.0006641813743784721 -0.023274370375833166 -0.002540368981272305 -0.008237572467765722 -0.002540368981272305 -0.0027627005116263896" pbc="T T T" energy=-1062.90521346 free_energy=-1062.90521798 config_type=crystal 
Hf       1.76915779       1.75508963       2.59516282      -2.56739865      -1.84787609       0.35476935 
Hf       3.56581711       7.16581738      10.07843704       1.05389356      -0.84448009       0.74368728 
Hf       5.35049254       5.44140137       2.30524122      -2.98647671       3.39496744       1.32685164 
Hf       9.14907830       5.30467783       7.93829501      -1.35883348       0.44376769       0.43971419 
Hf      10.87339811       7.20051021       5.41098315       1.94771879       1.65306720       0.69903769 
Hf      10.73275967      10.62786429       0.09875733       1.69515266       0.36433476       2.00204424 
Hf       7.38555409       3.86971102       5.19436063       0.83286857      -1.90806118       1.48149222 
Hf       7.39630412       7.60479625       5.05723590      -1.38292877      -1.88368327      -1.21763900 
Hf       1.88595006       5.27204572       2.51842644      -0.47839773       3.09743845      -0.56289256 
Hf       0.02743185       3.72603338       5.00865743       2.44402013      -3.09762659      -1.93707310 
Hf      10.88452054       3.56783619       0.21407082      -3.78330330      -1.11001781      -2.40529119 
Hf       1.76111565       4.98407416       7.81865286      -1.24031671       2.17158547       1.14758076 
Hf       8.77964144       8.90864242       8.01090841       1.50542708       1.19886834      -0.24124841 
Hf       1.78722489       1.64026757       7.89354139      -0.29219300      -2.46433056       0.79470764 
Hf       7.25336239       7.31848507      10.59604117      -0.20378299      -1.22899895      -0.75260451 
Hf       9.04962905       8.73516227       2.44636065      -0.30747278       0.65077226      -0.46864855 
Hf       5.21970134       9.21420011       2.46002359      -0.90310781      -3.44719628       0.50486418 
Hf       5.43807798       9.04507913       7.71563138       1.21629804       1.61799385       2.20893387 
Hf       0.12703756       0.05569274       5.40232488      -1.62586323      -3.03367235       1.75393979 
Hf       3.56231678       3.34656542       4.86846528      -0.73316085       3.79820041       3.23639353 
Hf       0.21510605       7.11105162       0.01633401      -2.32911072      -0.70424657      -0.74723419 
Hf       1.52526748       9.06377806       8.18189405       0.24789500       1.61667902      -0.77394726 
Hf       7.20037096       3.55466631      10.35463819       0.84346245       2.74406643      -0.38472896 
Hf       8.79857636       5.15294983       2.48260192      -0.58174575       0.43389359      -0.72175076 
Hf       3.42805669       7.26140738       5.08432667      -0.18371112       0.16460723      -0.86185665 
Hf       3.59112941      10.85064163       0.22211198      -3.58577648      -1.34450085      -2.57835871 
Hf       7.01284215       0.10859160       5.07626638       3.26437744       0.81230096       0.77708626 
Hf       5.34355739       1.87817032       2.78612790       1.72562884      -2.75901064      -3.66481409 
Hf       5.56723377       1.86880973       7.82117289      -0.77117465       0.64504787      -1.11914024 
Hf       1.68341613       9.22837016       2.83934762       0.32611966      -3.53287638       0.66745685 
Hf       3.62565396      10.81986239       5.35347676      -1.11069817      -3.96375894       1.35743745 
Hf       3.67754662       3.40993098      10.44482834      -0.45079404       3.27944036      -0.87675867 
Hf       7.24472260       0.09294106      10.46708929      -2.61625360      -2.13917223       1.48975659 
Hf       8.89123991       1.40237326       2.62519612      -0.12326729       3.90157365      -1.11792125 
Hf       5.32891459       5.63629733       7.22002779       0.02491833      -1.77529925       1.55705627 
Hf       9.00169896       1.59977792       8.06573651       1.53064749      -1.18840343       0.41264829 
O      10.81971952       8.54105503       1.56065947       2.64992918       1.74271544       2.26605158 
O       5.30976854       7.18210720       3.48688990       0.11496071       0.46941679      -1.44512722 
O       0.21707736       5.56284535       4.46885060      -0.58254991      -0.92604028      -1.50614642 
O       0.35549108       1.64777933       4.43052689       0.99845307       2.51831974      -1.60552919 
O       1.86541896      10.54158010       4.33689677      -1.97493376       1.06746593      -1.91151608 
O       1.62435343      10.63707084       1.34787348      -1.51433389       1.83575726       0.18594883 
O       1.59223679       3.71821091       1.01099742       2.13102805      -1.97617397       0.64675162 
O      10.34759042       1.29413499       9.93804315       0.19435396       5.05819915      -1.58473016 
O       1.64869558      10.90283689       9.32401900      -0.53495961      -0.00941047      -0.44234168 
O       1.70249305      10.74940424       6.78653976       2.02427881       0.42323344      -0.84100348 
O      10.79027735       1.59838212       6.96125086       0.79612833      -0.07413322       0.62360954 
O       1.85985999       3.45578469       3.50091199      -0.13434935       0.53921596       0.31711250 
O       1.95433851       6.94553221       0.73591901       1.11184285       0.05312953       2.63494224 
O       1.91876306       7.23907938       9.05032820      -3.26507215       0.69187486      -2.53770272 
O      10.82419494       1.93559981       1.89041378       1.04540263      -0.28467556      -0.44032244 
O       3.27130986       5.95247105       6.99343983       2.39089371      -0.99966370      -2.53145314 
O       3.48291645       1.87874047       6.78121367       0.10359010       0.52397499       1.05660984 
O       5.14867239       3.82323381       8.97172196       2.49824292      -1.95500592      -1.84440487 
O      10.66797542       5.47892107       1.77474858       0.65870892      -1.06736390      -0.47580676 
O       1.95051202       7.82334172       6.27727333      -4.19054821       0.80860442       0.45715671 
O      10.45206388       9.70572604       7.11428572       0.63817587      -1.82283095       0.28996154 
O       3.39793547       1.50453478       4.32296831       0.65385619       1.61340164      -3.24901113 
O       5.30869671      10.73398137       3.70914718       0.63246823       3.34440215       0.73372296 
O       5.39108934      10.67734937       0.72902090       0.89605989      -0.24109627       0.07577751 
O       3.58036416       1.32088450       1.70880328      -0.16479014       1.67151420       0.40568247 
O       3.57637552       1.62890225       9.62543916       0.02191450      -0.61821281      -0.89768534 
O       5.89297340       0.07312670       8.55398802      -0.70257889      -1.38667686       1.06405081 
O      10.91566417       8.94191053       9.86315972       1.10116963      -1.07471945      -4.17201722 
O       3.23200795       5.32508481       3.99977986       1.51122884       0.54785433       1.89844063 
O       4.76742747       3.66756318       3.13066513       0.06871727      -1.17251566       1.57372493 
O       5.41624870       3.27544071       0.72041141       0.71261960      -0.79328190       1.67678496 
O       9.02945544       7.12307057       6.29314073      -0.25368329       0.75016112      -1.95947590 
O       3.23557982       5.04925754       9.22781486      -0.60897518       0.87208560       1.53625599 
O       5.34854752       3.81536302       5.87862918      -1.80921323       0.74379274      -0.67324376 
O      10.67118673       5.35596199       9.66943971       0.63956343      -1.90103713       0.91218195 
O       8.22956434       0.31950753       6.86934860      -0.48844030      -2.57201186      -2.13317089 
O       1.78420498       3.76093942       6.14574456       0.03310196      -0.25238300       0.54065756 
O       7.06028119       1.33776266       1.56962514       0.00131797      -0.08364175       0.16301411 
O       9.18215567      10.73534463       1.55066141       0.02473477      -1.76557953      -1.74393260 
O       7.50457372       9.38636226       3.87430738      -0.77735991      -0.82915520       2.80141452 
O       7.04163890       2.02239554       3.97866365      -0.73733827      -0.77267504       0.79888379 
O       3.97274859       8.99813399       6.58936894      -1.03805000       1.45105972      -2.23666326 
O       9.15655369       7.16775275       8.75972379      -0.26313677       1.38323661       0.65469438 
O       7.32209365       1.73589461       9.44071883      -1.35009909       1.82004668      -0.15615452 
O       7.09052610       8.85881541       9.32609048      -0.37046685      -0.15052528       0.90634117 
O       5.19196941       7.24758902       8.42500755      -0.24552431      -1.86054438       2.25232340 
O       8.68038128       7.13490108       3.59131398       1.70475754      -1.61358410      -1.44003629 
O       5.57436657       7.09100586       5.92836004      -0.23593521      -0.59409018      -0.21424571 
O       6.92045020       8.97891333       1.58969237       4.38921811      -1.96552737      -2.54450454 
O       9.16239094       7.37033128       0.68885816      -4.21147565      -0.38561810       1.34682763 
O       7.51386101       5.50293564       9.41715976      -1.20243546      -0.32180085       1.47951896 
O       3.63839513       9.22874201       9.16225646       0.00005294      -0.56636737       1.19215047 
O       8.78742217      10.66440047       9.38696808       1.90701370      -1.79366627      -1.32826461 
O       7.39246010       5.09380661       6.70982155      -0.91488627       1.51733376       1.04124722 
O       5.31675671       0.43363848       6.17747276       2.16286268      -0.36477795       0.11016257 
O      10.87776857       5.92539812       7.17844714       3.85790792      -0.34082343      -0.43303639 
O      10.89034157       8.89024094       4.16001469      -1.59227138       1.57299908       0.29834049 
O       1.73566705       7.24058758       3.73146372       1.14181234       0.57046716      -1.65703350 
O       3.66492366       9.03120522       4.03455412      -0.54400124       0.28983375       0.26883910 
O       3.39056285       5.13888638       1.20697248       3.19611991      -0.45665034       1.44646838 
O       5.11025989       7.14123967       0.80540567       1.84129912      -0.68695361      -0.82069429 
O       9.09401662       0.27097628       4.12084714       0.21921218      -0.41029969       2.52650669 
O       8.84682582       3.44232305       8.81876651       0.62798971       1.35137056       0.23787652 
O       6.98585018       5.28519423       1.35612913       3.15281525       0.23966748      -1.34033136 
O       8.75707317       3.22353929       1.10131778       0.14051180       2.20190854      -1.93294761 
O       9.21514024       3.49853653       3.41044677       0.27823832       0.45827403       2.95511403 
O       6.97097357       5.31885621       3.89652933       0.69291659      -0.91065454      -0.25877432 
O       3.51602603       9.16550168       1.46627034      -1.07952717      -0.25907595      -0.04080882 
O       9.60258012       3.94942480       6.12084326      -4.61531796       0.18641139       2.43023225 
O       7.13812203       2.31611133       6.63356581       0.03461901       0.64503098       1.24673551 
O       1.31207676       3.25846165       8.99096991      -0.17971374       0.05092652      -0.04983505 
O       7.35474560       8.78910030       6.60398413      -2.44180811       2.52569569       0.84452032 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02102929386972116 0.0035926771588552196 0.002350342865519861 0.0035926771588552196 -0.024805306770832643 -0.0037263285598431325 0.002350342865519861 -0.0037263285598431325 -0.027511330890592413" pbc="T T T" energy=-1058.28811321 free_energy=-1058.28869194 config_type=crystal 
Hf       1.53517838       1.61632783       2.81823896       1.38291193       0.25483920       1.75644261 
Hf       3.43545145       7.38333484       9.85641934      -1.29620288      -1.38568036       1.19839960 
Hf       5.38543166       5.42493089       2.49758722      -1.07747040      -3.47896183       0.42359415 
Hf       9.20357553       5.35798973       7.85345061      -1.62817265      -0.79993516       0.45581580 
Hf      10.84653652       7.03205141       5.04272678       3.05787267       2.71059629       0.20382000 
Hf       0.14953362       0.01205533      10.52419519      -3.38670825      -1.58471318       0.05717936 
Hf       7.18193212       3.32704248       5.22372855      -3.61941272       3.44308368       1.97083513 
Hf       7.22404950       6.95782473       5.14282645       0.59733121       1.21625882       0.41967092 
Hf       1.73185359       5.47006282       2.27828533       1.48416776      -2.32564551       3.56481825 
Hf      10.30305286       3.52425410       5.46159994       8.27711073      -0.28489743      -1.64812977 
Hf      10.93866618       3.26285720      10.61006571       0.71384911       2.25809316      -0.36959952 
Hf       1.52819240       5.48563535       8.07167153      -0.00676793      -0.98172265      -3.13244941 
Hf       9.10671649       9.15088473       8.40337296       1.44433811      -1.57638586      -4.16792583 
Hf       1.72640277       1.62412653       7.82027835      -1.92390679       2.00682727       0.24225291 
Hf       7.18712351       7.09489985      10.21619260       2.07270516       0.45898944       0.95080411 
Hf       9.11423538       9.11290762       2.61581880      -0.50979418      -1.18907833       1.44731330 
Hf       5.63602135       8.59274928       2.42400233       1.23206054       4.12011245      -1.04244727 
Hf       5.33978896       9.18463381       7.97721182       2.13503698       0.47174823      -3.95981567 
Hf      10.72684113      10.83488383       5.38398486       4.83175241      -2.53875668      -1.47135431 
Hf       3.38180616       3.94231096       4.99353885       0.12095134      -5.17589847       3.68461578 
Hf      10.81930418       7.23445825       0.20876546       4.97115936       1.26051658      -3.25465853 
Hf       1.78860732       9.27321767       7.57883700      -1.45018113      -3.53046929      -0.57321368 
Hf       7.44819250       3.51382585       0.02762637      -0.35663720       0.34253667       0.37663700 
Hf       8.99992003       5.27519929       2.59915635       0.49548828       0.20495841       1.02834006 
Hf       3.63892540       7.43846949       5.21889385      -2.03003447      -4.12716056       1.56245212 
Hf       3.65358091       0.06853274       0.16618537      -0.13711381       1.64417434       0.32182124 
Hf       7.21937206      10.70029540       5.51712477       0.52554212       0.08196267      -2.82905892 
Hf       5.23829488       1.75754739       2.47127077      -1.04478828       2.51662619       1.66224190 
Hf       5.18909236       1.81796896       7.94678375       1.47033492      -1.25823594       0.03623619 
Hf       2.24775312       8.89693517       2.25356419      -4.29060975      -0.47451751       1.58141884 
Hf       3.77578140       0.01236757       5.03166933      -0.82171743      -1.18192773       0.54676865 
Hf       3.56244923       3.62067062      10.17982335      -0.90325482       0.30203298       2.71908554 
Hf       7.42995131       0.10736727      10.60531944       1.08846248      -0.24434649      -0.39031460 
Hf       8.81034442       1.67576446       2.94156937       2.74626750      -1.13529075       1.28005816 
Hf       5.40153610       5.31666030       7.73601387      -2.05655418      -1.86910351      -2.11273505 
Hf       8.97460346       1.85864837       7.93841767      -1.74785238      -1.78805808       0.99352931 
O      10.93860187       8.58038346       1.82462771       0.46640713       0.20633500      -0.17785434 
O       5.50864075       7.16952741       3.69494237      -0.56523892      -1.70518211      -1.19214099 
O      10.42906033       5.31865999       4.25464181       0.43229116      -1.62534434      -0.59980460 
O      10.72371187       1.64696059       4.25109884      -0.60486950       0.51911458       0.28894024 
O       1.24726730      10.68992291       3.59416096       2.16901340      -0.87424853      -0.91094440 
O       1.78290812      10.22342739       0.70608893       2.42213679       0.04089238       1.20322103 
O       1.75069463       3.74928848       0.73175701      -0.46617058       0.70441581      -2.48201240 
O       0.23022577       1.67216399       9.50913037       0.15693678       1.34890519       0.31902445 
O       1.28254573      10.62433931       8.84512228       1.98593319       1.78852189       0.65093315 
O       1.82385584      10.77671788       6.35625477       0.02951242       3.52169504      -2.16812343 
O      10.75176888       2.05003906       7.25104003       1.69531291       0.04501440      -3.23735867 
O       1.42403031       3.52494268       3.08100378       0.42829692       2.41262558       1.78193067 
O       2.18057816       7.11536007       0.96245436       0.52260834       1.12946532      -1.08193078 
O       1.56664226       7.41667494       8.86597053       2.58529505       0.20303999       2.32816312 
O       0.21732464       1.48552886       1.42879025      -1.71788707       0.66926744      -1.74189375 
O       3.71348876       5.62951885       6.58665610       0.30194576      -0.48505986      -0.10383986 
O       3.49657409       2.01177600       7.18902874       0.09008934      -1.80630327      -2.25683026 
O       5.24030191       3.52103238       8.88892290       1.28720008       0.99218616      -0.01676711 
O      10.84058599       5.66866256       1.65503989      -0.00667022       0.57945756      -0.59440640 
O       1.58599724       7.13923604       6.36088402      -0.72025023       0.60482314      -0.11566003 
O      10.76457688       9.56487209       7.15741682      -1.18713392      -0.77655930      -1.00552815 
O       3.18283731       1.73570145       4.29989371       1.04738114      -0.70279473       0.23120557 
O       5.28879700      10.82496964       3.69304307      -0.12242340       0.04004588      -0.07151906 
O       5.39664173       0.40049976       1.15647687       2.04803843      -2.74189607      -4.15461863 
O       3.28922697       1.61172872       1.58426265      -0.41208840      -1.85952550       0.03107432 
O       3.37767805       1.71107981       9.62524518       0.37751954      -1.72839459      -0.64398230 
O       5.76742619      10.85676351       8.92299533      -1.97943406       1.01903241       1.24593143 
O      10.31589219       9.13466897       9.85458541       2.74180685      -2.51103650       2.78040675 
O       3.38435858       5.53837808       4.13918727       0.21740347       4.00141177      -2.81916649 
O       4.82738692       3.53810687       3.31137886       0.55253171       1.67310077       1.01754083 
O       5.40829946       3.21093912       0.77824528       0.99273998      -0.16634068      -0.74585348 
O       9.10766057       6.86075347       5.78195534      -1.53712085      -0.06470277       3.18384015 
O       3.62197888       5.21344382       8.91936978      -1.88891734       3.96994047       3.63664085 
O       5.25332071       3.46559929       6.11092651       1.06325816       0.47778738      -0.46272252 
O      10.85947709       5.44150545       9.27649993       1.74600514      -0.88609141       3.17691263 
O       9.12149767       0.50462481       6.09440064      -4.70726666       1.22374296       1.36379302 
O       1.76078916       3.38077049       6.11750118      -0.65343621       0.29060339      -1.99141372 
O       7.72582817       1.89606103       1.48650083      -3.48307093      -0.28947985      -4.22362480 
O       9.21614403      10.85638706       0.87408368      -0.57888703      -0.85357569       2.53418768 
O       7.41396387       8.95586891       4.44289266      -2.08525291      -1.72692456      -1.14978650 
O       6.86828134       2.17935382       3.72359624       1.23813397      -2.43432540       1.03782298 
O       3.53659198       9.05688795       6.44241919       0.93992169       0.91767505       1.10326974 
O       9.50198005       7.07156685       8.54719651      -2.11744610       4.41388248       0.55553958 
O       7.57090178       1.86346408       9.43778469      -1.55522405      -0.48964066       3.68862747 
O       7.39941694       9.20039687       9.42793926      -2.23421023      -3.07623201       0.95459133 
O       5.43579990       6.99064058       8.90100244      -0.47062926       3.66163638       0.91366871 
O       8.66278704       7.14968072       3.39828358       0.54555130       0.32662540      -2.49538195 
O       5.40528043       7.45036869       6.07649269       1.34398003       0.79397909       1.56340837 
O       7.27879795       8.99905615       1.29384670       0.17215732       0.70905720       1.68423419 
O       9.13393404       6.95326484       0.52646149      -8.39806226      -0.79472350       1.19432390 
O       7.44286328       5.29194072       9.31542226      -0.72727941       0.14789861       1.42394254 
O       3.50121275       9.16691325       8.95481601       1.33324786      -0.08817515       1.27449213 
O       9.18865872      10.93054428       9.16134226      -1.32956543       4.18762626      -1.76153706 
O       7.04122848       5.56689808       6.77406812       1.60836352       0.33249188      -0.28397773 
O       5.39461684      10.93894129       6.37762448      -2.40056959       0.30233804       0.03421636 
O      10.89218470       4.89953043       6.94832175       0.06510749       0.79658945      -1.87497445 
O      10.48422588       9.09491765       4.45130010      -1.54214641      -1.01396826      -0.33910763 
O       1.60074227       7.15549135       3.77548043      -0.23074044       0.37720568      -2.93158977 
O       3.43908314       8.86935015       3.87511540       1.29566368       2.48508860      -2.01984263 
O       3.57889123       4.93007959       1.72560040       2.05139986       1.78054511      -2.59401359 
O       5.79577111       7.06126788       0.97228671      -2.51882714      -0.28879777       1.04285443 
O       8.36688148      10.70383123       3.64731754       1.87206006       4.11871903      -1.47916553 
O       9.27883766       3.56552557       8.95178876       0.02001154      -0.12047481       1.75235147 
O       7.16229075       5.07104957       1.49937638       0.71795886      -0.30921349       0.15962795 
O       9.40828959       3.66286492       1.25811158      -1.08311470      -0.34925930      -1.15368847 
O       9.01625565       3.47396913       3.91926699      -1.42484118      -1.06028524      -0.92267853 
O       7.22869244       5.15885873       4.18452059      -1.16852686      -0.83952182      -0.79824795 
O       4.05033964       9.17792468       1.01227248       0.04500299      -2.22608887       1.50616743 
O       8.73260908       3.77137555       6.45765352      -1.84926568      -1.71388716       0.86741288 
O       7.00657981       1.85200936       7.22101884       2.28157878       0.20363613      -3.96951482 
O       1.89586974       3.61134499       8.56496023      -0.10393114      -1.50983496       2.30788716 
O       7.28421909       9.35916640       6.77459149       0.52421232      -2.11314563       4.17087560 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018074048487576086 -0.007027987297915763 0.01329134129380001 -0.007027987297915763 -0.007421447770260711 -0.0019387595972090719 0.01329134129380001 -0.0019387595972090719 -0.008559095259518095" pbc="T T T" energy=-1061.96512471 free_energy=-1061.96513036 config_type=crystal 
Hf       1.99482214       1.87764355       2.68613208      -2.94254613       1.58667437       0.99437319 
Hf       3.43426053       7.19420295       0.62570159      -0.92261675       2.48408953      -6.22340531 
Hf       5.72965099       5.51269206       2.56790380      -0.99805296      -0.53484867      -0.41653455 
Hf       9.34396484       5.50643246       7.52477047      -1.27108401      -2.83719474      -0.40835101 
Hf      10.53911237       7.36198982       5.37565533       4.24895572       0.55165133      -2.75480023 
Hf      10.59528257      10.47590972      10.49809069      -2.97885832       2.70939068      -0.74778773 
Hf       7.24851020       3.64099389       5.33536005       2.81832896      -1.68974471      -1.34481732 
Hf       6.96150069       7.39642485       5.37909658      -0.63288311       0.71776530      -0.24525622 
Hf       1.54838727       5.45255776       2.37170787      -0.70588479      -0.20286429       2.10805600 
Hf       0.06921157       3.74144376       4.97480800      -0.41596522      -1.48244271      -0.05208413 
Hf      10.95316524       3.43661859      10.58915294       1.54156974       0.09987251       1.52201653 
Hf       1.93492842       4.93654593       7.76837397       0.53096683       3.36785376       0.48966056 
Hf       8.89489275       8.97301144       7.96544116       0.37038215       0.95075105      -1.74437405 
Hf       1.78334581       1.49962408       7.88549184      -1.56692259       1.55175104      -0.56402049 
Hf       7.12360511       7.12971823      10.62616843      -0.37876182       1.16866519      -1.10252571 
Hf       8.81465725       9.09389195       2.63917326      -0.53182087       2.76760542      -0.80236667 
Hf       5.24197171       9.28145790       2.44812900      -0.34223369       1.02259036       2.70293036 
Hf       5.44728650       8.92803476       8.05513684      -4.93711505      -0.97357853       0.98988478 
Hf       0.02327230       0.09085296       4.69063106      -1.77356935       0.39027969       2.68436182 
Hf       3.87276599       3.65050611       5.54141586      -0.67971615      -1.14653741      -1.24171443 
Hf      10.67794329       6.75812281      10.32803689      -1.35193209       0.04702730      -2.09556568 
Hf       1.74688063       8.80299755       7.84747679       0.52828099      -3.26524935      -1.33828095 
Hf       7.28148239       3.58684737      10.26980878       1.79921913      -2.73375932       2.31841558 
Hf       9.13446037       5.64928578       2.81720295       0.44264812      -0.94765943      -1.74082816 
Hf       3.85280657       7.28661703       4.74236187      -4.80826961       3.98359913       3.62944519 
Hf       3.21079724      10.81377710      10.46237948       1.76278113      -0.66512533      -1.64266855 
Hf       7.33511091      10.92074940       5.12814429      -1.03033747       2.47208483       0.49732070 
Hf       5.36331117       1.92868986       2.61700446       0.00790884      -0.90621484       0.31439477 
Hf       5.60340906       1.58073245       7.72339544       1.16862795      -4.09802135       1.63235386 
Hf       1.42355866       9.17210015       2.55178981      -2.89300630       0.37984898       0.43996513 
Hf       3.38978246       0.03208826       5.58918131       5.01076525      -3.00213373      -4.22637574 
Hf       3.75055828       3.54744225      10.49955324      -2.04219693       0.47715132      -0.96357725 
Hf       6.77399872      10.78872949      10.48494708       3.83610791       1.17429582      -0.03049175 
Hf       8.98997976       1.81261695       2.27493486       0.14262842       0.04468523      -0.01526350 
Hf       5.72875129       5.18205401       7.98385675      -0.05064116       3.88150352       1.68097594 
Hf       9.08182621       1.86325986       7.98981388       2.15371635      -5.31133025      -0.82350398 
O      10.38874532       9.35998788       1.50171975       1.44761812      -1.11002328       2.04774423 
O       5.38426802       7.35700999       3.56747834       1.42497094      -0.08995657      -0.89656061 
O       0.01072691       5.57299466       3.91282497      -0.38253801       2.07096867      -0.85769605 
O       0.23348386       1.95084881       4.10667359       0.22966017      -0.91611399      -0.17539916 
O       1.76059272      10.95252684       3.43658093      -2.11058272       0.13395569      -0.46877576 
O       1.45114258      10.37315044       0.58219508       0.73883901       0.60115526       1.42869770 
O       1.85785680       4.10431273       1.03837900       1.87558574      -3.43537061      -2.34988422 
O      10.49990095       1.77966689       9.74910406       1.00922806      -2.92983446      -3.10665075 
O       1.66534761      10.67297782       8.77265727      -0.32297480       1.07397989       0.29171038 
O       1.60799514      10.75308414       6.02722196      -4.32824813       0.81391219       1.68165553 
O      10.83840553       2.05591389       6.65895084      -0.44465066      -1.24941718       2.11115149 
O       1.84851538       3.77531445       3.72871421       1.19283231       1.09609677      -1.96331592 
O       1.24340718       7.22978650       0.78689431       2.44228282      -0.29862552       2.68792211 
O       1.19505528       6.81803460       8.77012055      -0.43227253      -0.91529117       0.17220692 
O       0.05445515       1.87629838       1.67041825       0.84284946       0.12707674      -0.52281390 
O       3.99115543       4.68879495       7.35748372      -3.86280465      -0.80796212      -2.07891133 
O       3.46975644       1.57585867       6.83087045       1.60342384       1.69457822       0.51553604 
O       5.51518696       3.45267570       9.24899675      -0.79220864      -0.62281054      -1.17426709 
O      10.77740066       5.07690796       1.36766787      -2.28573981       2.08891933      -0.22742576 
O       2.28196148       7.28681128       6.55912114       0.38040711      -0.57557412      -1.11571666 
O      10.83498331       8.66208597       6.78374880       0.10531724       0.36536876       2.61815852 
O       3.69489741       1.59621963       3.81055985      -0.21494713       1.51863848       2.29920289 
O       5.79125099       0.09493692       3.23940065       1.01916547       1.18698115      -0.60439911 
O       5.11962508      10.42687877       0.75554312      -1.73869446       0.15473869       1.14126155 
O       3.33348899       1.51434544       1.30013917       1.54426001       0.45674017      -0.83376220 
O       3.46820846       1.74664748       9.40063102      -0.19052750      -1.02280298       0.24745767 
O       5.17802877      10.78035878       8.96276916       1.43398090       1.21346613      -0.32146371 
O      10.47476646       8.72957153       9.56123287       0.56723061       0.14247304      -0.16285878 
O       4.25045503       5.46924254       4.88608678      -0.19418701      -3.28898604      -1.37877192 
O       5.67028887       3.35892773       4.11242940      -1.21380603       1.02104756      -2.64933562 
O       5.11578829       3.80513252       1.32875680       0.33865293      -0.63906099       0.64170251 
O       8.83961217       7.02204935       6.10489965       0.79532819       1.22728680       1.34942004 
O       3.50417296       5.37347154       9.64606080      -0.69689604      -0.76334984       1.28994766 
O       5.67176464       3.11217002       6.52356331      -0.07961367       2.53834411      -0.17295603 
O      10.23959187       4.86074718       9.27677618       2.81646694       1.89720570       1.47873718 
O       8.83218039      10.18499265       6.02266722       2.83638997      -0.88849172       1.57288469 
O       1.92878901       3.39412870       6.10828265       0.52670011       1.96630359       1.77859989 
O       6.96167839       1.68861771       1.28937933      -1.47848713       1.82546911       0.39266944 
O       8.71783722       0.17389604       1.01216948       1.26015607      -0.91231518      -1.41799506 
O       6.95502350       9.17072254       4.30544705       0.59319499      -2.42199562      -2.07180705 
O       7.82021816       1.79650659       4.39427583      -2.00341330       3.96230099      -0.93313240 
O       3.48915239       9.54140839       6.98571776       0.77740584      -0.69757364       1.03675431 
O       8.95575771       7.00841778       8.78486212      -0.57562474       0.49776311       0.43849195 
O       7.29098891       1.58867675       9.25553423      -1.28584034       0.57182023       0.58560355 
O       7.16012311       9.01816659       9.42126255       0.04402833      -0.50792557       0.61072927 
O       5.29487364       7.12847319       9.05562718       1.99510218      -0.76701533      -0.91697176 
O       9.10166391       7.51766713       3.78278691       0.17494131      -1.04557800      -0.59489337 
O       5.15306038       7.34356544       6.34330823       0.18937862      -0.05948264      -0.50991373 
O       7.25473069       9.04696685       1.35425928      -1.27551760      -0.16940313       0.88169907 
O       8.92744631       7.18788254       1.02044597       0.73300793      -0.88909488       0.23884996 
O       7.00493049       5.36294589       9.53668137       1.02667737       0.87790948      -0.40057432 
O       3.60192107       8.88443897       9.72877685      -1.65626978      -0.21765716       0.01441271 
O       9.06383515      10.71646821       8.81649551       0.87593077       0.53968483       0.00320559 
O       7.29545074       5.67427641       6.71084257      -2.90935734      -3.12424809       1.31506850 
O       5.50527759      10.94887466       6.23691927      -0.27873260       1.55709010       0.35019144 
O       0.09847023       5.33243705       6.29133539       1.02804745       2.04258500       3.72821451 
O       0.01275169       9.09915937       4.24845275       0.07397280      -0.29237192      -1.61110633 
O       2.12848873       7.66487380       3.65164684      -0.53805377      -2.94081441       0.00564004 
O       3.79012653       9.74123060       3.91498095       1.50079447      -1.92894689       1.35807197 
O       3.57177312       5.75848971       1.84077603      -0.22652073      -1.22596628       3.09062942 
O       5.36084453       7.24632754       1.15455822       2.08073627      -0.15596687      -0.14659672 
O       9.04983601       0.22952327       3.65568235       2.18304887      -3.84495549      -1.64277434 
O       8.74530676       3.62404595       8.27268324      -3.47968327       2.91754020       0.72120168 
O       7.25708162       5.26515954       1.25791164       0.03086841       0.18649796       1.88929838 
O       9.09942089       3.07617057       0.49294645      -2.95370087       1.28808560       0.72134646 
O       9.34075177       3.75564986       3.27652860      -0.81186569      -0.55019498      -0.72140893 
O       7.34285615       5.69368004       4.01319631      -1.22087416      -1.38749896      -0.52926923 
O       3.06734486       8.90117306       1.73368397       5.60816417      -0.96812106      -2.61995473 
O       9.12988361       4.01978631       5.73364420      -0.41853456       0.28051798       0.91074093 
O       7.55952617       1.40556967       6.75898131      -1.05493654       1.19646258       0.84907601 
O       1.76833905       3.32099740       8.92056852      -1.34552106       0.96227704       0.08094448 
O       6.91186256       8.82212716       6.91324031       4.36463926      -0.48658747      -0.84997918 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017669045860789535 -0.001455064965831263 0.011301438078005939 -0.001455064965831263 -0.01485307679007171 -0.011251450911197816 0.011301438078005939 -0.011251450911197816 -0.012673592084910793" pbc="T T T" energy=-1062.07251877 free_energy=-1062.07252477 config_type=crystal 
Hf       1.94929273       1.86384436       2.86863105      -0.29133039       2.42650338      -3.01273588 
Hf       3.45105082       7.30908384       0.44756668      -1.79020500      -2.71003870      -1.94036064 
Hf       5.56347784       5.58004791       2.39527927      -0.22362604      -2.03890393       2.42806477 
Hf       9.27019940       5.44948208       7.43744324      -0.83490661      -1.01486712       3.35586338 
Hf      10.58869539       7.42689360       5.33733779       0.71085237      -0.63233346      -0.18547505 
Hf      10.67381814      10.53097633      10.44042134      -0.25874672       1.59486663      -0.10652015 
Hf       7.30165677       3.56745547       5.26958131      -2.46927484       0.52552648      -1.94982808 
Hf       7.03371979       7.34200662       5.41760321      -2.40695585      -0.57949781      -2.83521840 
Hf       1.56069809       5.53048055       2.40399611       1.70763845      -1.36099673      -1.03002714 
Hf       0.06836095       3.85391904       4.97505226       1.93093490       0.06029851       1.88674344 
Hf      10.95316667       3.37610761      10.59131924       3.75608595      -1.26312127       0.85799194 
Hf       1.99709507       5.10505349       7.77413255      -3.10283926       2.19569848       5.20694922 
Hf       8.92483867       8.95286960       7.88988172       3.97497741       2.36137050       2.80746249 
Hf       1.77906771       1.50115179       7.89378756      -1.50263992       0.89197755       1.48397537 
Hf       6.99291187       7.13115040      10.56700487       5.95780428      -1.07807437      -2.08954815 
Hf       8.86763948       9.13588191       2.58978487      -1.02079688      -1.69483365      -1.40105391 
Hf       5.21051550       9.34391663       2.51333727       2.97546600      -2.87253706       1.29296123 
Hf       5.33337214       9.02041159       8.15739643       1.81865416      -3.05738047      -1.43020145 
Hf       0.07044587       0.01873060       4.75223812      -2.77562150       0.73264064       4.20575487 
Hf       3.79509606       3.79401733       5.58997466       0.59209746      -2.41175161      -4.73347879 
Hf      10.64317235       6.66920469      10.26933675      -0.23795772       5.07406582       1.54460281 
Hf       1.81276869       8.66803212       7.75145090      -0.38305917      -1.35948058       2.84889643 
Hf       7.39712910       3.48212685      10.35867147      -2.61746931       0.37648256      -0.91866878 
Hf       9.18606335       5.62496619       2.76142982      -4.00853796       0.93945186      -2.55776370 
Hf       3.78398547       7.31036854       4.80869640      -0.09374543      -0.86028420      -0.18765471 
Hf       3.16606619      10.85200061      10.46771651      -0.71193143      -1.19186895       0.11571837 
Hf       7.35962442       0.00776101       5.07818374       0.86750880       0.40551178      -0.06481114 
Hf       5.24200458       1.83713506       2.74212012       0.69249606       4.58563121      -0.70657067 
Hf       5.52676921       1.61094077       7.71894168       0.70933392       0.54200984      -0.21592886 
Hf       1.40637439       9.15324783       2.62389928       4.54565908      -2.80761754      -0.94279159 
Hf       3.42922636      10.87251780       5.52440000       0.72372458       0.42932834       0.00941378 
Hf       3.83334499       3.45855075      10.41667828      -2.83150026      -1.58339134       1.90505312 
Hf       6.83849943      10.82169160      10.56741696       2.02751587       1.10642764       0.25600974 
Hf       8.86511226       1.88633473       2.28142663       0.38270996      -2.36955844      -1.40028017 
Hf       5.74623827       5.14876705       7.95379273      -1.55246965       1.29616485       2.49651220 
Hf       9.12370081       1.81645999       8.01381087       0.21393494      -1.82182168       0.09458135 
O      10.72920653       9.30426709       1.84392976      -3.56404133      -0.70610895      -3.06112387 
O       5.27504678       7.35409941       3.33121097      -0.07326591       1.37931437       0.99209835 
O       0.08361751       5.80135768       3.93653975      -0.82948722      -2.08567741       1.18848958 
O       0.25182355       1.98733952       4.30452721      -0.26592714       0.59424553       0.50790733 
O       1.76271062      10.82817470       3.68943782       1.06878469       0.65844805       0.36741345 
O       1.56658190      10.64728304       0.96503253       0.57809871      -0.79630905      -0.32913998 
O       1.84178796       3.81401718       1.02006098      -2.38572378       1.06776146       0.11524546 
O      10.70915135       1.51343818       9.52484694       0.77403283       1.47659564       1.68170802 
O       1.88368853      10.64006873       8.72910164      -1.52408141      -0.41208328       0.75996306 
O       1.37509293       0.03506030       6.37576250       2.33808645      -1.70579558      -2.33444298 
O      10.82408494       1.76621687       7.06930932       0.69577262       1.32605210      -1.20605552 
O       2.15914307       3.79063828       3.62933455      -1.71400481      -0.13379273       0.75948727 
O       1.43412988       7.19013915       1.08565850      -0.69105137      -0.19122890      -0.57711865 
O       1.26569015       6.71543210       8.83063538       0.43874328       3.22310749      -0.28240047 
O       0.27166136       1.56630997       1.85881578      -1.96735351       1.79300142      -0.46689274 
O       3.75920136       4.75389430       7.22927045       3.00926915       1.16284620       1.13179413 
O       3.56858876       1.71780077       6.75724092      -0.11087919       0.28727639       0.85982761 
O       5.52891932       2.93748010       9.27856195      -0.91241895       3.04249006       0.47395399 
O      10.51035867       5.15337712       1.48753323       3.40097477      -0.31806825      -1.96205208 
O       2.48093766       7.16395584       6.53795519      -0.87501065       0.51078643      -0.51108323 
O      10.75845839       8.54510087       7.14083505       2.29886381      -0.93022149      -2.74406673 
O       3.75495645       1.59448595       4.25333859      -0.98636950      -1.18856181      -1.08421106 
O       6.07373272       0.09261666       3.07157161      -0.10006214      -0.08736984       1.57500345 
O       4.92881001      10.45090309       0.73179060       2.26175985       1.09549139       0.22195664 
O       3.34779238       2.04388321       1.22594163       0.48194480      -4.03520796       3.24151841 
O       3.38010601       1.46564635       9.42010186       0.61534755       2.40362775      -1.22457654 
O       5.48856301       0.02137143       8.93519285       0.20529281      -1.72676362       0.12512943 
O      10.36395737       8.80312376       9.57954430       1.19928382      -0.48228154       1.51766456 
O       4.18233698       5.33360748       4.47856593      -0.79344431       1.25624496       1.00767070 
O       5.53426782       3.39357378       4.11748296       0.08502104      -1.26847869       0.43892197 
O       5.05113507       3.69309000       1.56254909       0.28010104       0.39344817      -1.70597097 
O       8.79078687       6.94846918       6.19753819       3.35739420       0.67889192      -0.80091329 
O       3.08753600       5.13081192       9.77857605       2.21887013       1.96801957      -0.11903181 
O       5.78804341       3.57810448       6.72784196      -0.76782836      -3.99800837      -1.54585401 
O      10.74760581       5.01338420       9.50775933      -1.02073782      -3.55971926      -2.05136288 
O       9.16856399      10.40114204       6.13891660      -1.45923962      -0.04718871      -1.90038257 
O       1.73962688       3.91743262       6.23378329      -0.37304311      -2.44377152      -2.41979507 
O       6.91298894       1.77248129       1.31943251       0.17001484      -0.34836054      -0.60264783 
O       9.09380265       0.09401398       0.85414740      -2.49124724      -0.29878294       0.64969948 
O       7.00806664       9.00427526       4.17853370       1.54876200       1.85238937       0.90035841 
O       7.52677551       2.01261632       3.81060736       0.19560288      -2.35157139       2.84257542 
O       3.72274034       9.42748429       7.14084164      -1.60165391       1.18619345      -1.13436777 
O       9.04928547       6.97620210       8.79459063       0.10694988      -0.75173016      -0.33566490 
O       7.50469369       1.59353946       9.41455140      -0.28936049      -0.49202386       0.15356778 
O       7.08618128       8.99313170       9.58657985      -0.69477310      -0.00073866      -0.27334801 
O       5.17508533       6.96390761       8.60348408       0.34237644       2.21553860       2.11840374 
O       9.14690080       7.38081277       3.67696033      -0.30729498       1.82106308       1.15388294 
O       5.23066030       7.42800815       6.16513026      -0.01909988       0.92036334       0.22525549 
O       7.17705166       8.98485225       1.40019643       0.02670404       1.39132981       1.00594579 
O       8.88475494       6.94319945       0.91997333       0.27771729       1.34135957       0.27797148 
O       7.24089348       5.26908792       9.30234073      -2.42232202       1.31294435       1.41017416 
O       3.03547670       8.84320289       9.76140947       1.33320896      -0.96624334      -1.35394485 
O       9.17702454      10.80314178       8.70030705      -0.53225419      -1.05397900       0.15707157 
O       6.88186656       5.53461853       6.51823999       3.22286158       0.06263654      -0.61166983 
O       5.49896573       0.23508081       6.22329906       0.65271101      -1.85013097      -2.04721617 
O       0.14560590       5.59820726       6.64906852      -1.36988886       0.65179998      -0.99345030 
O      10.90496619       9.03043918       4.17494525       1.76646578      -0.56402140       1.47194909 
O       2.10997561       7.38671072       3.63328971      -1.45685478       0.44896497       0.01907238 
O       4.03129844       9.36880001       4.26982820      -0.60948468       1.27925211       0.55299598 
O       3.51091429       5.82039417       2.01840140      -0.01648777       0.59199955      -1.65299774 
O       5.47097173       7.26122946       0.94814772      -3.15812071      -0.94544616       0.45466348 
O       9.37318427      10.74736851       3.52810587      -2.44457018       3.39986087       0.49855996 
O       8.70616305       3.79221551       8.50948333       0.56003465      -2.39963859       0.28653278 
O       7.21581212       5.22250959       1.28417909      -0.31560562       0.07087670      -0.45449410 
O       8.99526516       3.14284375       0.61618821       3.20645089      -0.97814212       0.40650506 
O       8.88711180       3.71846815       2.94339342       1.55315557       0.44645456       2.83740331 
O       7.02441135       5.59173873       3.99678078       1.66867731      -0.32798186       0.34221729 
O       3.55990076       8.76800397       1.65403364      -3.07017522       1.11829820       1.47253015 
O       9.19825935       3.81859427       5.98517821       0.80318391       0.61922048      -1.58367960 
O       7.55281803       1.59937813       6.58407059      -0.65995029       0.73562279      -0.36217322 
O       1.72942114       3.27149272       9.05950368      -0.71894739       0.16984164      -1.79677308 
O       7.24944146       8.54306919       7.17771257      -4.66581493       0.75805964      -1.90439262 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0029801576730135245 0.003369799696180912 -0.0035957635351858957 0.003369799696180912 -0.017554893258869355 0.0022650142954825972 -0.0035957635351858957 0.0022650142954825972 -0.012148595502711258" pbc="T T T" energy=-1064.2246169 free_energy=-1064.22461792 config_type=crystal 
Hf       1.74678257       1.69346695       2.62170981      -1.55402149       1.17139448       1.16551957 
Hf       3.52961936       7.19018473      10.11178383       0.06186813       0.07161819       2.13581553 
Hf       5.39998693       5.66598623       2.47430514      -1.35312317      -1.85677679       0.72266513 
Hf       8.99174675       5.30972548       7.77580874      -0.88034151       1.14335771       1.41961171 
Hf      10.89386184       7.14955451       5.43339642      -5.85284652      -1.52209010      -3.73907070 
Hf      10.83757495      10.66318304       0.07138713      -0.31300946      -0.38621877      -2.24696415 
Hf       7.48046899       3.79913313       5.19641255      -3.94285539      -0.98792483       2.69898214 
Hf       7.33576159       7.65384812       5.10151078      -0.70759648      -3.92208389       2.16252571 
Hf       1.85301425       5.53215299       2.58890149       0.43431347      -1.80331423       0.60923039 
Hf       0.18203953       3.60689926       5.18145394      -1.28745113       2.41800469      -0.44683013 
Hf      10.88184694       3.47414946       0.19282313       0.74924393       1.24428805       1.75277248 
Hf       1.72475630       5.01258781       7.88100566       0.60809708       1.31093102       1.18088936 
Hf       8.78010553       8.84283049       7.99992216       0.08332790       1.44018582      -1.98130451 
Hf       1.69636262       1.62916366       7.84466851       3.22617335       0.39984294      -0.29067705 
Hf       7.26278247       7.23543377      10.55059412       0.78506811      -2.19329879      -0.20688737 
Hf       9.12037347       8.65423347       2.52149599      -0.65943544      -1.07255089      -1.86116260 
Hf       5.12299010       9.17608660       2.45416861       0.53749327       0.49748309       1.84045228 
Hf       5.36054708       8.91822070       7.72206278       0.15470552       2.47972238       0.53189168 
Hf       0.04019976       0.02623118       5.29236734      -0.90096736      -2.68502512       2.08775238 
Hf       3.63947079       3.38933359       4.95134820      -0.03588608       3.03556964       0.55170292 
Hf       0.32393134       6.99517998       0.09509554      -3.32635812       0.50805068      -0.95004301 
Hf       1.63501198       9.12554087       8.01140839      -0.82392242       1.05167432      -0.73236129 
Hf       7.06722346       3.71497812      10.34139829       1.20736293       1.28952459      -1.03282981 
Hf       8.70980395       5.06103874       2.64512486       3.30988623       1.17953655      -2.79661750 
Hf       3.33810541       7.31651277       5.18841296       1.39838861       0.21343216      -2.44823080 
Hf       3.51970199      10.83737829       0.12395423      -0.68031280       1.44597672      -0.80819201 
Hf       7.22550490       0.20585305       5.04705363      -1.57359042      -2.08166334       0.83107725 
Hf       5.24272154       1.82284493       2.64436733       4.61992504       0.02915376      -1.30714184 
Hf       5.63039917       1.73514795       7.77155555      -3.68610948      -1.91377016       0.99548650 
Hf       1.63875181       9.19092244       2.70506126       1.66230001      -0.25291929       0.59216689 
Hf       3.64435421      10.90742614       5.25584057       2.33412411      -1.14573187       0.36841372 
Hf       3.73338617       3.46207003      10.57169598      -1.08104451      -1.10303902       1.39120696 
Hf       7.15467589       0.16509213      10.47582059      -0.70171741      -5.10955412       0.74215764 
Hf       8.85289303       1.39132008       2.53286593       1.95742298       0.87214710       1.59764914 
Hf       5.37872210       5.73162724       7.28613220      -0.75149161      -4.67190988       1.61623729 
Hf       8.99202711       1.46697235       8.02240505      -0.50414374       1.18589815       0.14230176 
O       0.06343513       8.99256615       1.58830529      -1.65892252      -0.81940653      -1.53263245 
O       5.11993174       7.36534016       3.45085631       1.30905290      -0.09499319      -0.00249685 
O       0.11909829       5.54441429       4.21314120       0.65400602       0.06442171       1.30186254 
O       0.53930439       1.74953472       4.65754096       0.02055491       2.14885005      -0.29119223 
O       1.57572041      10.86627113       3.92057808       1.11999400      -1.41897066      -1.40029024 
O       1.46180342       0.22391522       1.05676175       1.33005760      -1.04550315       0.69654016 
O       1.96809267       2.97707048       1.08107516      -1.53374109       2.72606972      -2.88417969 
O      10.27223900       1.90162142      10.01565345      -0.84270945      -4.95216199      -1.41952067 
O       1.68114441       0.12573445       9.09856196      -0.66500980      -1.17455333       0.35522032 
O       2.09811136      10.81918465       6.44277760      -2.69868184       0.32131563       1.11294934 
O      10.79872706       1.59244485       7.06405561      -0.65527569      -0.41260439      -0.25453915 
O       1.61127547       3.70952148       3.62449665       1.12765865      -1.76851299       0.07036701 
O       2.03762613       7.32380881       1.08196162      -1.00972208      -2.30857210      -3.52857909 
O       1.60304116       7.22553974       8.82410513       2.08851585      -2.39124733       0.38437880 
O      10.78037521       1.88287691       2.14775452      -1.77238801       0.38615887      -0.98095894 
O       3.49791971       6.00094522       6.65584217      -3.36686593      -1.03251277       1.94646195 
O       3.65326199       1.87565526       6.87204092      -0.18448636      -0.07309249      -0.81761977 
O       5.64096677       3.49838402       8.61806962      -1.40582742       2.03975654       2.25864347 
O      10.87134869       5.34900767       1.72491600       1.68507865      -0.11710713      -0.25444389 
O       1.38786587       7.88387811       6.17817661       5.67623072       1.62047153       0.94954259 
O      10.76856223       9.58143734       7.25404453      -1.01441560       0.12186278      -1.65233832 
O       4.04079323       1.64735457       4.04408727      -5.52340218      -0.96499209       4.79637898 
O       5.63187549      10.91468624       3.53658143      -0.55000030      -2.31819447      -0.26662111 
O       5.37406777      10.55211550       0.99774752      -0.37968955       0.49501963      -2.67554765 
O       3.49309841       1.40593067       1.73452982       1.57642479      -1.82724585      -1.36800842 
O       3.68903815       1.71027301       9.50323117      -0.26075562       0.16597201       1.22650621 
O       5.76515271      10.80683296       8.80228178      -0.09391479       0.58588067       0.37507540 
O       0.30116926       8.92852614       9.50350454      -1.44603474       1.25827864       3.64844829 
O       3.48074782       5.46041255       4.18442026      -1.28173120       0.36342690       0.24046415 
O       5.10836187       3.74250178       3.53371149       0.20052472      -1.00932454      -2.48583898 
O       5.43042434       2.91674401       1.00318288       0.89311797       2.85809571      -3.73376752 
O       8.94321605       7.23103341       6.26267791       1.01722282       1.15498356       0.33612842 
O       3.27302579       5.22252405       9.66474456      -0.91106470      -1.08395501      -1.66989812 
O       5.12682284       4.09539794       5.87208055       1.62931774       0.29856969       2.24872052 
O      10.85131290       5.21006806       9.88004888       1.02702353       1.57097974      -1.81274793 
O       8.50839279       0.10935951       6.55285737       1.86069810       1.29850089       1.94617169 
O       1.87553452       3.56972292       6.34541011      -0.39154514       0.82522961       0.36619523 
O       7.15505431       1.04191922       1.66451490       0.07037315       1.34098793      -0.81067488 
O       9.18902377      10.60531181       1.21351240      -0.85939632       1.21442593       0.92633821 
O       7.30831528       9.11418257       4.03287803       1.37778299       3.34540625      -2.69812789 
O       6.96600492       1.90930902       4.08600305       1.54259051       1.32224948      -0.00574356 
O       3.86120873       9.04540135       6.30602456      -0.29928458      -0.30785978       2.67338715 
O       9.16791999       7.15910047       8.86556865      -0.15948094      -0.17903306       0.36373698 
O       7.17383761       1.77029546       9.53150951       1.23644652       1.54586103      -0.85640369 
O       6.96855547       8.64828634       9.08732732       0.82900848      -0.73575813       0.77475423 
O       4.85602087       7.08575016       8.66137982       0.85646384       1.26475016      -0.67775177 
O       8.91324887       6.91167970       3.53086122      -0.51709799       1.43675578       0.69653683 
O       5.55349604       7.22358628       6.04313708       0.17245847       1.00714397      -0.68581434 
O       7.36641275       8.61709636       1.28947467      -1.77887733       2.31235531       2.20380072 
O       9.07537532       7.03770240       0.89604426       2.40874202       0.99405837       0.15448051 
O       7.00238870       5.43945088       9.39933822       0.52529376       1.07256097      -0.31210929 
O       3.70501068       9.22423844       9.43454944      -1.12178301      -0.71011419      -0.63040885 
O       8.86070324      10.56526894       9.14978067       0.23139267       1.32786569       0.89176454 
O       7.16231091       5.32783816       6.75934047       2.69766500       0.11671833      -1.09040653 
O       5.52598114       0.12047481       6.24806771      -1.00865941       0.95050290      -0.95495831 
O       0.17110467       5.61719335       6.81506821      -0.65434630      -0.68766748       1.39985143 
O      10.47857488       8.98666722       4.11106241       1.55954883      -0.46418419       1.20342447 
O       2.11131027       7.34670127       3.23532166      -0.77463378       1.33339162       4.58581644 
O       3.63064299       9.23359683       3.99590601      -0.61125214       1.04586251      -0.41386045 
O       3.61739829       5.05526833       1.63243137      -0.25274870      -0.65609976      -0.77841988 
O       5.21074361       6.87344282       0.74113817      -0.13759998       1.62186147      -0.80764838 
O       9.28243638       0.23606488       4.24558632      -1.55510796       1.38735069      -2.89900050 
O       8.89121635       3.63663582       8.70533956      -0.77829559      -1.66683436       1.21857331 
O       7.21765416       5.38914520       1.30627338      -2.36125378      -0.19658278       0.29248285 
O       8.84466354       3.68766919       0.95343820       0.33117603      -1.65693160       0.65553816 
O       9.01866071       3.48449587       4.06629688       2.31138345      -0.80291290      -4.01065527 
O       7.11411700       5.23944526       3.76270161      -1.11223436       0.53300064       2.01974380 
O       3.26463141       9.26094794       1.51976163       1.16102406       1.22751757      -0.72809234 
O       9.12300511       4.07739394       6.27570513       2.88826264      -1.01401433      -1.41082906 
O       7.16234827       2.34568584       6.82700936       2.54789351      -0.49209680      -1.33655042 
O       1.12084887       3.31870398       8.84955851       1.59810372       0.29362948      -0.03778227 
O       7.02820498       9.25139726       6.61901046       1.57061050      -2.95617252      -0.36841389 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025339277376128847 -0.0006654630058623809 0.006587887766537056 -0.0006654630058623809 -0.006257381252382834 -0.0015096129968444488 0.006587887766537056 -0.0015096129968444488 -0.016178820008656065" pbc="T T T" energy=-1062.10905448 free_energy=-1062.10906704 config_type=crystal 
Hf       1.33578806       1.53660256       2.47694634       4.09469178       0.97557410       1.79510641 
Hf       3.54946112       7.09140543       0.30639177       0.52189277       1.92167806      -5.04199886 
Hf       5.33122126       5.49930986       2.48019531      -2.10890840      -1.24625247       1.28522414 
Hf       9.14384331       5.36957318       8.13900263       1.22426226      -0.04987149      -2.19593276 
Hf      10.82282116       7.26084808       5.10089175      -0.59404338      -2.25422218       2.66327405 
Hf      10.62239835       0.04483995      10.44338301      -0.55541322       1.78955243      -0.85705671 
Hf       7.32756113       3.92713733       5.09011214       0.75811000      -4.03431081       1.67060552 
Hf       6.98092644       7.39555856       5.15109177       1.96094848       1.48811179       1.21337208 
Hf       1.77876193       5.18854018       2.98749962      -3.30061287       0.60680390       1.75123254 
Hf      10.69396020       3.36291560       5.27253618       3.16103235       4.14714667      -2.94826472 
Hf       0.05349015       3.62527401      10.57715684      -0.40615781       0.35066338      -1.59546907 
Hf       1.85530745       5.31065707       7.94088455      -1.65343117       0.14100997       0.46956303 
Hf       8.94445901       9.07330431       7.71236488       2.03523323      -1.44275559      -1.56351780 
Hf       1.75472863       1.78802227       7.55233657      -0.78980897       0.19154728       1.19224180 
Hf       7.11000247       7.44897070      10.27642246       1.93754493      -1.13924523      -0.26606258 
Hf       9.09420036       9.19124707       2.39833107      -1.43419944      -0.52200558       1.74187674 
Hf       5.53564609       8.85623505       2.49501320      -1.55553314       2.58817183       0.85025597 
Hf       5.23934534       9.17115574       7.89181609      -2.00386946      -0.05422674       0.19624275 
Hf      10.88684398      10.78616042       4.89871542       0.30733120       1.62691838       3.22650518 
Hf       3.60920298       3.41582717       5.40837873       0.12290772       0.33772397       0.53570303 
Hf       0.13375720       7.25973517       0.17401905      -2.10025287      -1.18829289      -4.48709552 
Hf       1.67606597       9.15934912       8.14726136      -0.28957005      -1.90492677       0.85396024 
Hf       7.10938554       3.59649610      10.46432352       0.39241449      -2.48179062       0.31680408 
Hf       8.85120855       5.47119961       2.21049963       3.50197696       0.47900539       2.32245562 
Hf       3.46366808       7.11955917       5.59742612       0.84398685      -1.36294283      -0.06566645 
Hf       3.53011764      10.93737874      10.43586565       0.31734223      -1.05683222      -0.21505761 
Hf       7.67907968      10.93996184       5.13480772      -4.13589048      -1.73213777       0.10571916 
Hf       5.32257358       1.68486704       2.56477685      -0.37322318      -0.43498637       0.41727774 
Hf       5.59599656       1.84629657       7.72000989      -0.61938800      -0.80252864       1.38126064 
Hf       1.96531084       8.96612822       2.48092148      -1.96703209      -1.25834998       1.21751877 
Hf       3.61570865      10.49742183       5.01928686      -3.45102437       5.11843068       3.08094812 
Hf       3.58555259       3.28488730      10.56946857      -3.42353648       2.34593204      -0.78118641 
Hf       6.94506066      10.71318655      10.38570729       0.54315846       4.76696649       0.06129204 
Hf       8.91883227       1.95669745       2.62081772      -1.16121538       0.48643304      -1.38506403 
Hf       5.71859639       5.43164001       8.04064643      -5.39291400       0.77756036       0.74592966 
Hf       9.38344237       1.70290609       7.68119693      -4.73766480      -0.28638220       4.31489995 
O      10.68528261       8.91359891       1.41864785       0.56784412       0.24955649       2.01775769 
O       5.42360390       7.06398651       3.75595527       0.09114195      -0.00648313       0.53168441 
O      10.73263707       5.35566574       4.40175663       1.17229596       0.86992744       0.27907304 
O      10.62709069       1.65770963       3.95715449      -0.22941994      -0.83671487       0.74644113 
O       1.46492402      10.51348070       3.72355713       1.73821322       1.24232001      -3.82692621 
O       1.56875414       0.00706804       0.80608859       0.89536215      -0.11692648       0.91722028 
O       1.75006104       3.32285861       0.92506547       0.81212503      -0.56225690       2.22203647 
O       0.00017803       1.85169744       9.12545535      -0.33428738      -1.55143998       1.53617587 
O       1.97803229       0.09917273       8.63032029       1.26611760       0.63585435       2.17391229 
O       1.46114705      10.95111636       6.12962100       1.63599410       0.38142609       0.84079423 
O      10.89405456       1.87870223       6.61488598       1.34526342      -0.84831445      -1.55412336 
O       1.35341626       3.27256377       3.67308224       1.68315176       0.91644401      -1.47218917 
O       1.77974052       7.56779598       0.97727076       0.02076000       0.97403488       1.40885034 
O       1.76954662       7.33839048       9.10800647      -1.40785189      -1.64171920      -0.12696079 
O      10.72122705       1.76095733       1.54641395      -2.16481378       0.23317649      -2.71375563 
O       3.77417689       5.01894108       6.82011507       1.43812443       1.27460617       3.65593620 
O       3.62301466       2.19715229       7.23093697      -0.18755809       0.70004240      -0.76460377 
O       5.73046546       3.62229671       8.84375114      -0.49172526      -0.44251338      -0.48946391 
O       0.04925774       5.38553465       1.71866019       0.04879877       0.37169943      -0.99005755 
O       1.77449106       6.47327076       6.29065312      -1.54764499       1.95085947      -0.81351243 
O       0.19602234       8.80082420       6.97755065      -2.47030507      -0.52112845      -1.22047013 
O       3.24631342       1.51749058       4.66125633       0.27975325       2.04690972      -1.02316589 
O       4.84566942      10.85005296       3.62187395       2.82837166       1.18918522      -3.13446411 
O       5.17943377      10.65948287       0.91603273       2.52769199       0.17351405       0.39642150 
O       3.65201103       1.49241843       1.51848424      -1.26389569       1.56003236       0.83998343 
O       4.20224797       1.73886697       9.71518841      -0.87852923      -1.00782040      -1.15921731 
O       5.37184381      10.86916658       9.05949571      -1.02447402      -2.23940535      -1.25777503 
O      10.95413496       9.22444342       9.86639614       1.05450725      -2.01789992      -2.61093342 
O       3.29250786       5.34120086       4.59751847      -0.86101906      -0.78660681      -3.60362500 
O       5.31948366       3.88177424       3.63529189       0.07339538      -2.57299153      -0.17631448 
O       5.24728373       3.74220378       0.75517398       0.97426165       0.60393470       1.94522678 
O       9.01028748       7.24679241       6.30427864       0.20861522       0.15289761      -2.03839283 
O       3.42501323       5.39003614      10.01248516       0.53239776      -1.54101123      -1.37130651 
O       5.67878623       3.17782779       6.03431448      -0.70262150       0.39732557       0.44362943 
O       0.20225981       5.37558024       9.60729779      -1.44533039       0.42884043       1.08634059 
O       9.22854283      10.77039440       6.19581671       2.42236772       0.55974753       1.14205992 
O       1.60242160       3.74527409       6.22758169       1.10401836      -1.66238573       0.62972907 
O       6.99728594       1.84240369       1.45152600      -0.43641352       0.42587336       0.49405297 
O       8.82202669       0.23927992       0.69993549       0.55342982      -0.99055218       0.84316281 
O       6.60314899       9.24463336       4.12235349       2.00707527      -0.08666546       0.27272380 
O       7.49282429       1.66948109       4.12761091      -1.68486103       2.92955184      -0.45773696 
O       3.17324150       8.54069173       7.02586285       1.94784670       0.57162452      -0.38647379 
O       9.04349117       7.31629245       8.74306996      -1.32507196       0.82176569       1.10644895 
O       7.12227681       1.53906163       9.09921703       0.81340135       1.10094853       3.02587137 
O       7.30362074       9.34738464       8.97373382      -1.68731759      -3.44842227       1.53386926 
O       5.40698748       7.19496330       9.22628683       1.28185166       0.62673469      -0.58369986 
O       8.79206576       7.37218153       3.25327266      -0.32417276       0.29441575      -1.32857269 
O       5.45618649       7.31474743       6.53889777      -0.61307573      -0.11588454      -0.33449770 
O       7.16859264       9.28186765       1.35753312       1.41841958      -2.30073494      -1.07327444 
O       8.89724424       6.59218554       0.37099621      -0.28303543       1.01208373       2.52694594 
O       7.07067832       5.43933496       9.65590612       1.05530657       1.09297588       0.30052848 
O       3.60830864       8.79871616       9.58359363       0.82598944       3.59973489       0.11364826 
O       9.18246277      10.82283026       8.87016537       1.33498762       0.84277580      -1.74287303 
O       7.19280321       5.30859449       6.99797289       3.45193773      -0.60799451      -2.01706228 
O       4.55685787      10.71430396       6.66249210       2.56459639      -0.75628664       1.40162026 
O      10.77963206       5.22253325       7.14148756       0.37976861       0.21085628       0.70699716 
O      10.32654789       9.07559499       4.25909408      -0.52628580      -1.68677944      -1.07339557 
O       1.31034133       7.25898271       3.53721067       0.66276111       0.51951316      -0.02741407 
O       3.33814332       8.79490314       4.36268092      -0.72344592      -4.46040463      -2.60019309 
O       3.22995534       5.98948513       1.89564505       1.95338836      -2.74508650       2.10577342 
O       5.37986842       7.21049025       1.35524097       2.19569227      -0.13868292      -3.52716416 
O       8.87744510      10.94691583       3.37789471       0.73812236      -1.27770796       0.03905297 
O       9.10552207       3.40546203       8.85642835      -1.03281511       1.57678786       1.16862579 
O       7.04951560       5.01776452       1.74365854      -0.34149064       0.26904227      -0.83582620 
O       8.98397620       3.71271461       0.98280230       0.57592426      -0.93472650      -0.90132395 
O       9.07202158       3.77301337       3.67335604      -1.08628873      -1.80864826      -1.23489374 
O       7.62714375       5.62073586       4.46872985      -0.96477103       1.79917055      -1.64867424 
O       3.67465861       9.00917610       1.61551946      -0.42006094      -0.07462603       0.70834551 
O       9.10734953       3.59466743       6.30497442      -4.02265139      -1.10229306       0.41012442 
O       7.11559540       1.18039407       6.69039886       1.78897343      -0.91492279      -1.20299798 
O       1.76745534       3.51857308       9.11745756       1.24121695      -0.97104089      -1.66098707 
O       7.36017375       9.07056629       6.38630519      -0.86903523       1.24792328       1.45485445 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00047939866930306416 -0.0020068097912916446 0.0036974742379164297 -0.0020068097912916446 -0.015264019954172585 0.008025758442024572 0.0036974742379164297 0.008025758442024572 -0.009663010150697114" pbc="T T T" energy=-1061.04274984 free_energy=-1061.0427541 config_type=crystal 
Hf       1.41575941       1.64055747       2.51994809       1.49239598       0.08452378      -0.42728404 
Hf       3.49285333       6.99169849       0.30215558       1.60092173       0.45496896      -1.28329300 
Hf       5.32993897       5.42130730       2.50633531       3.83049970      -1.20913956       1.44215389 
Hf       9.18723466       5.37208221       8.21850404      -0.65024208       0.84140270       0.21623844 
Hf      10.79770311       7.22534154       5.03096292       0.37539737      -0.13962982       0.98895985 
Hf      10.68357358       0.23865060      10.37231050       1.45275803      -3.08420701       2.00993504 
Hf       7.32737565       3.98350475       5.08366374      -1.16889679      -3.16595670      -0.43105039 
Hf       6.92587353       7.37014404       5.09782613       1.42973450      -0.38894235       1.26535388 
Hf       1.71708786       5.10488739       3.02489446      -1.05604599       1.94553222      -0.66701342 
Hf      10.63895593       3.34277333       5.07506785       1.73159041       0.77895402       1.74089454 
Hf       0.18010032       3.62415135      10.59672377      -2.15716546      -1.21720962      -0.27929193 
Hf       1.81698643       5.34141210       7.87661035       1.06277154      -0.94859719       0.41077143 
Hf       8.94447895       9.09856260       7.69758993       1.11268134      -1.27253443      -0.01509769 
Hf       1.71223008       1.66433199       7.56993309       1.75904375       2.70024377       0.50035330 
Hf       7.12498502       7.47935443      10.21143793       0.49973962      -2.75909806       5.76117250 
Hf       9.03945465       9.14493179       2.49468200      -0.76056092      -1.67181279       0.08712461 
Hf       5.52958271       8.96286706       2.53952096      -1.73564131       0.68763532      -1.63312419 
Hf       5.21299222       9.11354142       7.89642462       1.64278244      -1.01382419      -0.13230826 
Hf      10.88399520      10.64955783       4.89421276       1.78277374       0.13198456       1.32047156 
Hf       3.66670379       3.31472717       5.31572404      -1.63379884      -0.95552701      -0.80862103 
Hf       0.07577290       7.31854051       0.11799604      -1.22315092       0.63478339      -0.39999084 
Hf       1.67555761       9.21687414       8.19708767      -0.60276162      -1.19969299      -0.41511142 
Hf       7.17561292       3.61704134      10.58332634      -0.07195825      -0.07978435      -0.13714750 
Hf       9.02503349       5.46921296       2.32159266      -0.56039335       1.22732434       0.58577548 
Hf       3.37961814       7.03216371       5.56553625       1.41528816      -0.08338108      -2.15939331 
Hf       3.50728172      10.81558944      10.38823402       1.08540910       5.71962534       4.17936062 
Hf       7.66554628      10.87195105       5.05583659      -0.78583965       1.81480242       0.80683329 
Hf       5.50708380       1.69347100       2.58033271      -2.31668307       1.52291728      -2.18344494 
Hf       5.69344667       1.88389187       7.66156644      -1.59729748      -0.94273877       1.32008283 
Hf       1.84949375       8.99906448       2.57627934      -0.01731762      -0.50219064       0.08565678 
Hf       3.53728856      10.58610419       5.25817502       1.27971829       1.16831774      -1.63728722 
Hf       3.54031209       3.28347190       0.00192364       1.62656325      -1.24109512      -1.37212092 
Hf       6.97933662      10.80727011      10.43377014       0.54514560       1.43870153      -1.97001374 
Hf       8.87794678       2.02254235       2.53292439      -0.21083120      -1.95263764      -1.63785457 
Hf       5.68846191       5.58363786       8.04412679      -1.22727132      -0.64067665       0.51329712 
Hf       9.28875328       1.63022322       7.66233418      -3.30979458       3.60368302       0.29739628 
O      10.47499840       8.89061158       1.36102442       3.19854575       0.22259446      -1.65502521 
O       5.12049827       7.18626587       3.86355115       1.41897849      -0.07400906      -1.37249479 
O       0.08496499       5.22030885       4.39297622      -0.63216112      -0.58127318       0.40014357 
O      10.67994934       1.58769652       4.05463761       0.37260033       2.57620699      -1.01897261 
O       1.19464432      10.80307736       3.30178512       1.16453078      -2.40817904       2.10691934 
O       1.53078974       0.20376024       1.11367420       0.66589414      -1.88784726      -3.46469349 
O       1.80248747       3.21611507       1.05717001      -1.41567912       1.99854018      -0.78191895 
O       0.04044670       1.76857318       9.31356378      -1.19117911       3.27511301      -1.99363117 
O       1.77083296       0.14242143       9.21406008      -0.16555946      -0.04414024      -3.47588387 
O       1.86550551       0.09614909       6.11237237      -1.93535715      -1.17130231       1.99155543 
O      10.86481606       1.62422327       6.47065247       0.80277573       1.60216244       1.25533300 
O       1.89322868       3.26502177       3.68693151      -2.07137227       0.44557167      -0.44774098 
O       1.76792743       7.37197490       1.32765936      -0.79490100       0.13600154      -3.59268184 
O       1.62262359       7.15765165       9.03424153       0.14968579       0.18357107       0.24436793 
O      10.48662875       1.69077506       1.29860998       2.08773796       1.44672843       0.78215586 
O       3.84410093       5.14948741       7.21544244      -1.33505734       0.92620555      -1.67963813 
O       3.70529466       2.08843261       6.95281314      -0.80703778      -0.12751407       0.51466486 
O       5.62648163       3.61622950       8.71354291       0.80816855       0.57039477       0.46972452 
O       0.13170536       5.32705601       1.80115229      -0.96893118      -0.60506586      -1.09350657 
O       1.57580104       6.59407030       6.11490420       0.86377065       0.03902151       1.43236839 
O       0.12585354       8.84682790       6.55731751       0.13567014       0.29533461       1.02820366 
O       3.09880205       1.49792557       4.48240852       1.72045604      -0.78925830      -0.27165286 
O       5.19794229       0.08979779       3.56207891      -0.45237661      -2.75968221       1.25026961 
O       5.39597593      10.54020194       0.85028928      -0.18659413       1.03827930       1.54760488 
O       3.55003872       1.79264099       1.47628084       1.49789875      -1.22566748       1.21930333 
O       3.91617542       1.70088186       9.40606021      -0.21348415       0.51405760       1.41399437 
O       5.39602107      10.68931650       8.97108869       0.49847516       1.79311986       2.00299423 
O       0.10954488       9.20801622       9.43283115      -0.93762549      -0.90707549       1.02945376 
O       3.25063041       5.15594279       4.22822502       2.96428120       1.28246521       4.31337909 
O       5.41508440       3.29518013       3.59713059      -1.15381233       3.61599855       1.45199389 
O       5.34786956       3.58175108       1.16891864      -0.84783517       1.03927298      -2.69405779 
O       8.99981716       7.11712694       5.82455244      -1.67076479       1.30207802       1.52186665 
O       3.53318653       5.28628698       9.79906865      -0.24779062       0.70977672       1.73726433 
O       5.70583276       3.15208261       5.99226105       0.29106893       1.49474563       0.81758261 
O      10.78220223       5.45134109      10.05157415      -0.36949896      -0.00062593      -2.20599129 
O       9.40697104      10.76050771       6.20299958      -3.30841321      -0.89309799      -1.45229273 
O       1.69682409       3.49221415       6.28923383      -0.39126040      -0.14456225      -0.38273997 
O       7.13080364       1.82958747       1.43908816       0.54059991      -0.42389978      -0.79258113 
O       8.81845789       0.16756063       0.42684693       0.56125225      -1.49566242       0.82992835 
O       6.58645259       9.25183309       4.33458772       1.47867746      -0.78035252      -1.00316195 
O       7.46833763       1.96849443       4.08735389      -0.09119218      -1.91870086       0.00741778 
O       3.46080768       8.65129957       7.00238786      -2.45267541      -0.96139353      -1.05133124 
O       8.80843282       7.47462308       9.16753843       3.62912034      -1.55793039      -3.46283162 
O       7.40705875       1.70785393       9.23196272      -1.57812498      -0.65414876       0.38956430 
O       7.19144006       9.06524069       9.20740388       0.39834421       4.37196324      -1.04428525 
O       5.27738282       7.42063389       9.18930365      -0.44435371      -1.00253839      -1.21096080 
O       8.88851296       7.37132466       3.32879447      -0.43312332      -0.90522190       0.85630484 
O       5.32088800       7.09617786       6.40334178       1.52172039      -0.03559514       0.24527276 
O       7.28787489       9.00970374       1.49591781      -0.79238730       0.61697762      -0.45928832 
O       8.83191832       6.81798191       0.97073211       1.86797679       1.70676241      -3.07432551 
O       6.95938453       5.52441608       9.77890055       0.38650459      -0.93608522      -1.74480675 
O       3.23910064       9.25380200       9.54994498       0.20117353      -5.89499160      -2.57724320 
O       9.40308922      10.91678552       8.42836514       0.02388185      -3.08890143       3.24093308 
O       7.50530711       5.57099168       7.04789528      -2.48006906      -0.26733144      -0.29874501 
O       4.67375422      10.71221717       6.84186009       0.68221448       1.31169590      -2.98129386 
O      10.86425961       5.17616341       7.33414509      -0.61103080      -0.15319965      -0.34032093 
O      10.46963906       8.94273048       3.99314056       1.29370406       0.94936430       0.98391705 
O       1.31217689       7.29535751       3.61480045       0.54868570      -0.77253132      -0.24451037 
O       3.14559414       8.72256122       4.19686022       0.67129193       2.32448783       1.01301034 
O       3.53404241       5.81206608       2.03640873      -2.08841204       0.21666155      -3.52799592 
O       5.62021414       7.17596373       1.03431299      -3.08256299       0.17178181       1.88557704 
O       9.17731290      10.89665880       3.54524704      -2.67391209       0.23552845      -0.30134711 
O       8.97937074       3.61338675       8.99729757       0.39837249      -0.35649595       0.04047567 
O       7.15023137       5.33038620       1.63803678      -1.31078768      -2.34708138      -0.06783406 
O       8.95091801       3.70261877       1.00050437       0.82896140      -0.46511122      -0.39308661 
O       9.15165954       3.62284583       3.53082987       0.38799192       2.39845722       2.05854164 
O       7.27531942       5.65184017       4.01233685      -1.14636685      -0.59084589       1.44028040 
O       3.64155309       9.17648145       1.43676891      -1.15059814      -1.31620928       1.94396527 
O       8.76753276       3.57712162       6.30136641       3.12286307      -1.32365301      -0.45695535 
O       7.29521420       1.22075630       6.48916181       0.26857999      -0.23922848       1.92840786 
O       1.82631480       3.49175192       8.85020082      -0.74594547       0.18645017       1.68851984 
O       7.20189307       9.22137673       6.71359729      -0.00575246      -0.27498703      -0.38157967 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0015570018920600644 0.008543451222728015 0.0008896213323149747 0.008543451222728015 -0.009331230549684976 -0.001445727799250633 0.0008896213323149747 -0.001445727799250633 -0.005201121968587398" pbc="T T T" energy=-1064.07387587 free_energy=-1064.07387965 config_type=crystal 
Hf       1.51354795       1.72419404       2.54554580       2.20854171      -1.00560095      -1.85206026 
Hf       3.47717551       6.94029874       0.25746393       1.92917140      -0.43782911      -2.96522918 
Hf       5.36638652       5.33631328       2.56414581      -2.02438339      -0.09395837      -1.84370732 
Hf       9.21361353       5.39319190       8.27418555      -3.04638807      -0.22179491       0.84030499 
Hf      10.77811455       7.18296593       5.00815521       0.40108904       1.41301666       2.63745446 
Hf      10.75697681       0.35283075      10.34128115       1.13699125      -2.08775018       0.16298439 
Hf       7.31693151       3.96487276       5.08009579      -1.24629461      -2.68383179       1.74804877 
Hf       6.91502753       7.35284145       5.08769755      -0.13635040      -2.32209906       1.06662708 
Hf       1.64729300       5.09086788       3.04126950       2.25343474       3.87180387      -4.37261653 
Hf      10.63629143       3.35833939       4.95993644       1.25233321      -1.25738573       6.46027931 
Hf       0.22832666       3.61097292      10.59116841      -3.56670813       1.31024551      -2.22350053 
Hf       1.79678652       5.34773404       7.83636343       0.99417915       0.18022064       1.94395766 
Hf       8.96961344       9.08570212       7.67962023       1.09947276      -1.29184897      -0.72954898 
Hf       1.71328624       1.62388232       7.59751641       0.76428651       3.67412864       1.02999836 
Hf       7.18183056       7.46249402      10.26109555       0.93799202       0.28767231       3.69473089 
Hf       8.99032608       9.05938482       2.56122347       1.79608949      -1.19587304      -3.84434003 
Hf       5.47826251       9.05960547       2.55749333      -0.49888041      -0.27230235      -1.38754738 
Hf       5.21122041       9.06122334       7.89569143      -0.39504448       3.07233661      -1.46981571 
Hf      10.91044495      10.55762921       4.93276191       0.13879341       2.54590911       3.74653320 
Hf       3.68147237       3.22368468       5.23354922      -0.98543105      -0.58664192      -0.25494755 
Hf      10.94117018       7.36593102       0.03428841       0.66253485       0.52799600      -1.82652844 
Hf       1.66636071       9.23185801       8.21733878      -1.34444532      -2.39037533      -3.53746593 
Hf       7.22747303       3.62446688       0.04057100       0.21197296       0.27378378      -3.37886530 
Hf       9.15398725       5.50186085       2.41942878      -1.98301594       0.62301068      -2.98912727 
Hf       3.34758071       6.95996411       5.50111314       1.03476556       1.12599805      -0.01980297 
Hf       3.49848077      10.79024843      10.40686378      -0.31841624       0.04838806       0.62417053 
Hf       7.61510617      10.84294252       5.00560213      -5.03172102       2.38220534       1.59215338 
Hf       5.60137749       1.73068667       2.56311777      -2.73331487      -1.60063960       0.32558447 
Hf       5.74270036       1.89223727       7.64245858      -2.35189444      -0.57846076       1.62146473 
Hf       1.73652074       8.99864914       2.65562461       0.77417324      -1.16354943      -2.30068300 
Hf       3.49835762      10.68620477       5.40722314       1.09335745      -0.05659824      -1.86907852 
Hf       3.52694818       3.27816328       0.02705208      -0.56582176       0.22500711      -1.68673401 
Hf       7.01298326      10.91812215      10.43649882       1.36998186       1.59144626       0.55845275 
Hf       8.83761215       2.05293101       2.44522962       3.25247287      -0.50703517       0.10200420 
Hf       5.63114888       5.69486230       8.04923328      -1.66924012      -3.69575946      -0.94605170 
Hf       9.15372157       1.62487110       7.67314483       0.57431842       1.87536990       1.93800493 
O      10.75670499       9.03503347       1.27532673       0.25172345       0.11503639       2.18235202 
O       5.14008037       7.25529832       3.65085966       0.54960493       0.41174739      -0.36202134 
O       0.28182360       5.15233027       4.49359544      -1.95711045       1.09687173       0.11749999 
O      10.72966723       1.81318919       3.88757801       0.43148890      -1.22703472      -1.91316155 
O       1.17448276      10.88863824       3.36059548       1.41393899      -1.24581607       0.16113713 
O       1.64309005      10.94153074       0.77741750       0.85608512       0.52505227       1.61902483 
O       1.71391073       3.42816330       1.20300053       2.08638817       0.10673777      -0.92723748 
O      10.63360590       2.10514314       9.22370728       1.12725002      -2.08145669       0.14932695 
O       1.69029091       0.06056126       9.10439909      -0.60390138       1.12727546      -1.32178488 
O       1.87016729      10.84909595       6.54623794      -1.40868224      -0.43719177      -0.95373860 
O      10.76014770       1.72185131       6.54167895       1.66789184      -1.04619083      -0.12066714 
O       2.05102346       3.35503561       3.58073717      -0.16997160      -1.74980641       2.29770165 
O       1.81910411       7.26126977       1.10790648      -3.44607982       1.91887485       0.77466681 
O       1.46612776       6.98614194       8.98630282       1.22263998      -0.58997596       0.56907828 
O      10.80546478       1.87400835       1.16342472      -0.04579488      -1.05479815       1.74103346 
O       3.71433599       5.48131474       7.32039882      -0.51183112       0.07575019      -2.33929416 
O       3.61275590       2.00013667       6.82449294       1.55413458      -0.89508776       1.03488728 
O       5.64514222       3.53597680       8.71789847       0.21417523       1.15709868       0.88662302 
O       0.02976252       5.16994861       1.66873472       0.18734809       0.26979998       1.97418521 
O       1.48618195       6.78147728       6.21793949       0.40750716      -0.90596092       0.02634570 
O       0.03681085       8.91769284       6.39679346      -0.39755972      -0.03830638      -0.03407016 
O       3.33586513       1.36781979       4.25722540      -0.13242547       0.31288755       0.56891613 
O       5.43042949      10.77281689       3.66283928      -0.02507426       2.18680177      -0.22644337 
O       5.62194804      10.65482230       1.13788069      -1.12301068       1.76909145      -0.25423381 
O       3.70056868       1.86481901       1.72296069      -0.73718352      -1.37593904      -0.65826927 
O       3.65479933       1.63615250       9.35304807      -0.31321212       0.52034381       2.19906093 
O       5.34338001      10.79536455       9.11630697      -0.86439288      -0.41462776      -0.49359211 
O       0.04271164       8.88216188       9.18739638      -1.03008722       0.43939000       2.04440153 
O       3.64524636       5.21686144       4.53342432      -0.97714501      -0.24959132      -0.65138071 
O       5.28357384       3.37311827       3.70252340       0.09287460       0.62403816      -0.97194322 
O       5.20632549       3.61829547       1.02176779       3.06259469       0.27061231       0.21283118 
O       8.79269376       7.31838033       5.72430960       1.93588341       0.66067309       1.88245657 
O       3.60626348       5.14968692       9.84964537       0.21091990       1.00916982       0.55318647 
O       5.74552350       3.40606954       6.18986607      -0.13236230      -0.41824632      -0.65513873 
O      10.40084513       5.46517020       9.98946572       0.79676269      -0.00452236       0.33735169 
O       9.20025433      10.62082945       6.02272717       0.64912083      -0.76379220       1.07109074 
O       1.76692879       3.23863260       6.27999829      -1.09149334       1.80343133      -1.79043385 
O       7.30581599       1.73606004       1.31250655      -2.28840933       0.38824493       0.88404161 
O       9.03890170      10.78060342       0.48470185      -1.25648311       0.52325426       1.00070764 
O       6.93586923       9.11539901       4.23893905       1.93445699      -0.32678890      -0.95022653 
O       7.38568326       1.96220437       3.98741833      -0.33977508      -0.44842389      -0.05048752 
O       3.31912151       8.59815102       6.79946026       1.39532691       1.41056162       0.47417499 
O       9.06551733       7.38964638       8.82058492      -1.82466357       0.30993320       0.47580181 
O       7.32341473       1.76698795       9.50081796      -0.56501920      -1.40131829      -1.28924763 
O       7.13969597       9.28309746       9.37942022       1.16746085      -3.20869827      -0.79992600 
O       4.94860487       7.40443172       8.82176420       2.10151606      -0.95737860       2.54063942 
O       8.86320789       7.22967015       3.44563567       0.85863939      -0.95067075       0.18270414 
O       5.42333044       6.95447756       6.36656947      -0.78516552       1.88747352      -1.25252789 
O       7.38280643       8.86478752       1.42185100      -1.49589496       0.42958921       0.82502923 
O       9.10128714       7.22056539       1.09539657      -0.28924661      -1.29178737      -1.82101367 
O       7.03179723       5.56901149       9.60154835       0.15819187       0.86959463       0.33871016 
O       3.19085250       9.00663880       9.32889930       2.49295403       1.13721842       2.66959337 
O       9.64702949      10.69804229       8.52525060      -0.99901847       2.56826251      -0.03690309 
O       7.33832650       5.66278401       6.97594663       1.32150466      -1.63792907      -1.15348867 
O       5.03701563      10.93266898       6.50204299       0.88600911      -1.02541539       0.48704238 
O      10.84558762       5.14217395       7.46959299      -0.01846244      -0.80783643      -3.07745569 
O      10.77023050       9.00667934       3.88613990      -0.60386236      -2.88323762      -1.00215289 
O       1.43882749       7.06736205       3.71977841       0.76762039       1.39767393      -1.23279647 
O       3.10858368       8.99104797       4.19281493      -0.22152147       0.54435758       0.16710331 
O       3.42682217       5.53113967       1.70268087       0.46076632      -0.58620550       2.45716705 
O       5.38907826       7.30514812       0.91891893       1.50158779      -1.05249858      -0.26518279 
O       8.98809555       0.04315579       3.62997686       0.97206531      -1.44418741      -2.74264463 
O       8.89703213       3.68314601       9.17229172      -1.73232576      -0.22296336      -1.88034658 
O       7.24216613       5.17512532       1.49446248       0.28825307      -0.17474901       1.03700977 
O       9.08066214       3.47633124       0.87281139      -0.19439407       0.50810659       2.57813774 
O       9.11662510       3.74617544       3.68033228      -1.28420389       1.72478799      -1.71320456 
O       6.78817863       5.44686787       3.88756632       2.89180696       1.22291664       3.17566129 
O       3.76725106       9.11056939       1.46163386      -2.81283829       0.24380070       0.57084192 
O       8.93296934       3.23521028       6.12116000      -0.28229338       1.42942434      -0.00381739 
O       7.45511932       1.23501729       6.75515222      -1.57221353      -0.27935883      -0.41131710 
O       1.83283176       3.55095803       8.90638380      -1.16841961      -0.45054907       1.82925718 
O       7.04169127       9.29631358       6.94615981       0.74428639      -0.97106520      -1.30559755 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018975233158014637 -0.0033654289483438207 0.003667963627546649 -0.0033654289483438207 0.007973708431484311 0.003676683302904928 0.003667963627546649 0.003676683302904928 0.017990170381844584" pbc="T T T" energy=-1061.79019086 free_energy=-1061.79020316 config_type=crystal 
Hf       1.43759713       1.65121787       2.74705548       4.22750478      -0.37868065      -0.68990536 
Hf       3.59487286       7.30324298      10.10634327      -0.42999952      -0.85498112       0.13394079 
Hf       5.22730141       5.29375843       2.21160026       1.18453792       1.36380680       3.08548864 
Hf       9.03114036       5.21589370       7.95667925      -1.20004786       0.66687464      -1.00598223 
Hf      10.79421866       6.99789509       5.11976195       1.06887987      -1.68186946       1.27845033 
Hf       0.16745917      10.90827358      10.48094547       0.68354958       0.50360866      -2.48351666 
Hf       6.87094606       3.58766973       5.19668317       2.72546484      -0.89486382      -0.15261196 
Hf       7.21696305       7.06326900       5.23720719       1.33537864       0.25589430      -1.20370030 
Hf       1.81477189       5.46506129       2.57782395      -1.20894645       0.27188459       0.34864162 
Hf      10.68802095       3.53089979       5.44041772      -0.85157935       0.33670395       0.18358734 
Hf      10.95284489       3.35852838      10.42016885      -0.62267591       0.40673451      -1.08552810 
Hf       1.56366234       5.40495109       8.00901166       1.84917970       0.56943438      -2.61476279 
Hf       8.93509798       8.96188025       8.31047816       1.10316732       1.58721090      -2.05654896 
Hf       1.76622016       1.79651032       7.52746864       0.11326889      -2.24897722       0.89579795 
Hf       7.09803545       6.98349398      10.24033935       1.30497848      -0.65255828      -0.79790213 
Hf       9.22771949       9.25073081       2.67574669       0.36493493      -1.24087546      -1.05278605 
Hf       5.72820568       8.69073963       2.50859844      -1.61847132       3.06186625       1.44437836 
Hf       5.40299555       9.44717792       7.67483122      -1.42040749      -2.93279123      -1.02831751 
Hf      10.84152908      10.58127204       5.19824616      -0.32697282       1.23927262       3.88556984 
Hf       3.44027088       3.77425600       5.07317164       0.14150129      -0.27800089       0.54937859 
Hf      10.81733834       7.26400056       0.22493621       1.92344039      -0.79317183      -1.57180974 
Hf       1.74167620       9.18692997       7.76724538       2.53221935       1.17106371      -0.55325037 
Hf       7.40007210       3.44281695       0.36351063      -1.86835782      -0.51672330      -4.44690661 
Hf       9.03986364       5.43607478       2.41699867      -0.15741370      -0.19293647       2.55272345 
Hf       3.76559911       7.27134754       5.17104017      -1.82318107       0.12118474       0.02758640 
Hf       3.82134828      10.90373867      10.61071738      -1.60546971       1.28465655      -0.22606427 
Hf       7.19922310      10.82540119       5.21015723       0.44419989       0.44522872       2.12396145 
Hf       5.04621769       1.97745677       2.47676352      -0.35042118      -4.01074375       1.80692750 
Hf       5.51516023       1.87866421       8.07166419      -2.14660903      -0.39283544      -2.71827913 
Hf       2.18872318       8.84135549       2.35041001      -0.76946246       1.25904413       0.42190942 
Hf       3.57672468      10.86330216       5.00323760       2.47980437       0.13446959       0.58491523 
Hf       3.38423313       3.54866001      10.48618950       1.30449624      -0.04062574      -1.73607165 
Hf       7.23413121       0.02872652      10.57236359       0.37816314      -0.99043210       0.86598107 
Hf       8.76042593       1.76318611       2.95501910       0.92239809       1.43493507       1.52785891 
Hf       5.48319172       5.32357715       7.86936074      -2.43146244      -4.10998530      -0.11010393 
Hf       8.86367209       1.66905884       7.91149218       0.84842694      -0.67339795      -1.19738787 
O       0.13916738       8.61997044       1.55318176      -1.76524949       2.42279125       2.91269147 
O       5.67838787       7.08384031       3.52947244      -1.20071810      -2.35658441      -0.92779006 
O       0.00361559       5.06061814       4.14885913       0.19037753       1.82018579      -0.32703180 
O      10.73523693       1.49238743       3.86485767       1.76493692       1.44272266       0.13656969 
O       2.14289675      10.59789832       3.63671501      -3.99354433       0.32961685      -2.67920643 
O       1.76347447      10.65389060       1.00491721       2.14959182      -1.25581812       0.28526235 
O       1.50141418       4.25672712       1.08645822       2.57383001      -2.94234787      -3.93562779 
O      10.62072701       1.47963563       9.21697859       0.54270800       0.72452916       0.34022698 
O       1.99158541       0.06595567       8.75406885      -0.58929288      -0.27444476       0.42743332 
O       1.86833665       0.15578961       6.04134865      -3.02629242      -0.75161454       0.45947412 
O       0.00142998       1.82642929       6.57009697      -0.38517964       0.50116250      -0.51246573 
O       2.11070693       3.56567830       3.42920483      -1.46326186       0.01126141       0.13182326 
O       1.97168942       7.37847312       0.83929103       0.15486725      -0.56195472      -0.98186721 
O       2.07628931       7.43965372       8.56496076       0.21480603      -2.37698030       1.95372128 
O       0.42874915       1.86847601       0.99219982       0.78034050      -0.45277378       1.50934724 
O       3.68208930       5.65787462       6.32258795       1.13132361      -2.12367764       0.98483164 
O       3.54600143       1.97207573       6.83471039       1.46965844       0.37077887      -0.56019661 
O       5.14596210       3.41671198       9.07202571       0.24070498       4.95900946      -0.69799745 
O      10.81692804       5.55757902       1.62883983      -1.49297732       2.15559841      -0.49208098 
O       1.61132784       7.30003451       6.02684548      -0.11375802      -0.02290966       0.61644581 
O      10.90951731       9.24733270       7.13645558      -2.54637622       1.03973749      -2.32729955 
O       3.41525253       1.85009820       4.19317388       0.75588991      -0.00114096       0.08833016 
O       4.93876934       0.02558434       3.26874392       1.31866782       0.81900035       0.88692921 
O       5.48046861       0.43652933       0.98104214      -0.01360154      -0.25617714      -2.23634076 
O       3.33821333       1.67457387       1.50786448      -1.15168399       1.23931496      -0.58861121 
O       3.82626720       1.87294715       9.55910282      -2.08457512      -3.87630619       1.57541150 
O       5.71391642      10.91693233       9.00601048      -0.64343036       0.48001625       1.12437710 
O      10.84660040       9.06499933       9.53916888      -0.92040376      -1.41788101       0.50520881 
O       3.53668795       5.58482078       3.66852665       0.54384055       0.26149861       1.26049693 
O       5.32270856       3.67398164       3.72502042      -1.09761486      -0.38233816      -0.77443224 
O       5.17246641       3.57427317       0.89184687       0.01608459      -0.64804546       1.98596026 
O       9.13501683       7.18688796       6.48684734      -1.32723132       1.91312561      -1.01856989 
O       3.46216217       5.23505957       8.84676372      -1.04732119       0.29417246       2.75976318 
O       5.47029968       3.62637202       6.51934732      -1.11555369       0.43471668      -0.06047104 
O       0.25426696       5.52809894       9.44164504      -1.41920330       0.36129068       1.00142127 
O       9.03982989       0.11343820       6.45085914       2.30863434       0.01172127      -0.85128517 
O       1.71041511       3.93312654       6.20757611      -0.64292571      -0.64470348       0.25186786 
O       7.35449986       1.83382273       1.63849893      -2.07110501      -0.99255807      -1.38761036 
O       9.64120134      10.88543985       0.99512482      -3.52334083      -0.66672660       4.26285085 
O       6.85863940       8.95170958       4.28019711       2.00325722       1.80487767       0.96201642 
O       7.03046224       1.78475650       4.23840240       1.12103068      -1.23498142      -1.55583814 
O       3.53297508       9.22627757       6.61269981      -0.46293799      -0.45693002       1.56420402 
O       8.66400480       7.00083963       9.02051811       2.20824976       0.37859762      -1.87523659 
O       7.21981994       2.10916005       9.08220532       1.57417573      -0.95010014       3.61970361 
O       7.27314904       9.01934995      10.00526275      -0.17898237      -0.88492383      -1.06970784 
O       5.34920652       7.08572102       8.59065190       0.68482499       2.99212199       2.82515237 
O       8.80707362       7.06862133       3.64116452       0.66968063       0.02850461      -1.25036275 
O       5.48254006       7.58870605       6.00161915       0.47518076       0.50730597       1.95363841 
O       7.38079908       9.71976363       1.99879365       1.02949094       0.12750611      -1.74584057 
O       8.99568959       7.17513600       0.85724554      -3.15610392      -0.62879347       1.36340599 
O       6.93477035       4.89694723       9.66351840       0.64566875       3.36223002      -1.74463546 
O       3.74906004       9.14994372       9.40030354       0.72746198       0.93797454       0.13312455 
O       8.77107604      10.84097920       9.28156858      -0.15686428      -0.13358814      -2.26449545 
O       7.15423217       5.73836386       6.86142234       1.10281972      -1.68688838       1.34134125 
O       5.45479070      10.71095285       6.22172331      -3.25963513       1.96874963      -1.98203645 
O      10.60635065       5.47078328       6.81720049       1.95919075      -2.22346004      -0.03282119 
O      10.41685623       8.76015060       4.31911955       0.08391879       3.79220146       0.05434586 
O       1.33157920       7.33351397       3.58500365       1.95212433      -0.10087075      -2.22682911 
O       3.88242097       9.02571002       4.21239366      -0.42255364      -1.93134653      -2.88155565 
O       3.78319554       5.80185355       1.12105519      -2.73792728      -1.32431678      -1.53499036 
O       5.69435164       7.03042214       0.82885070      -1.12018281       1.32804746       2.61417714 
O       9.11812476      10.91260339       4.06857989      -1.94074952      -1.42436718      -3.10965347 
O       9.24025994       3.55362352       9.20161448       0.28225446       1.55585086      -1.08425163 
O       7.15003931       4.93653761       1.61295149       1.73410072       1.53380377       0.89754821 
O       9.15458019       3.33690409       1.06094798       3.02775643       0.80521200       1.85017680 
O       8.90755416       3.58910135       3.87418483       0.54368370      -1.06589924      -1.26887110 
O       7.06831150       5.29581662       4.29491296       0.71378076       0.44138108       0.39481846 
O       4.04838881       8.96924017       1.33829016      -1.35654814       0.21976088      -0.10867128 
O       8.92582515       3.43955009       6.45957631      -0.81283362       0.98551366       1.03294674 
O       7.07030417       1.55189428       6.70689060       0.31275144       0.77965292       0.41514691 
O       1.51249903       3.27991755       8.87773832       0.43181816       2.08434269       1.60261969 
O       7.26782267       9.76429649       6.96501087       1.74227468      -4.35702763       3.05229297 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0183621548012043 0.00040700425379718534 -0.0019022120660319153 0.00040700425379718534 -0.011450556032230427 -0.004632932133470812 -0.0019022120660319153 -0.004632932133470812 -0.00046130553298858877" pbc="T T T" energy=-1061.37003162 free_energy=-1061.37003785 config_type=crystal 
Hf       1.59719186       1.69350518       2.69832747       0.85246782      -1.36389872      -1.21186758 
Hf       3.63521756       7.30139054      10.33581094       0.53541980      -0.50054617      -1.84381228 
Hf       5.19075713       5.29562117       2.19328033       0.55339688       2.74405606       3.33317162 
Hf       8.91048237       5.23065767       8.00032224       4.60617487       0.41506943      -0.41492246 
Hf      10.80096132       6.99886097       5.21453670      -0.15720259       1.47132725      -0.69958574 
Hf       0.17133267      10.89733862      10.45407143      -0.99920349       1.79244683       1.29916924 
Hf       6.82320134       3.65094227       5.22550306       3.94145627      -1.46124460       0.17085082 
Hf       7.25953084       7.14663079       5.24759087      -0.36538057       0.87536212      -0.80539040 
Hf       1.79946230       5.43362568       2.66758511      -0.77778452      -2.16875538      -3.03829127 
Hf      10.87537041       3.55035951       5.38536737      -3.70616947       0.25506116      -2.33230310 
Hf      10.88307402       3.43388989      10.27643511       0.78742040      -0.62588376       1.32978097 
Hf       1.57315703       5.40574135       7.90999976       2.48586886      -0.38984278       1.94076499 
Hf       8.94607885       8.90997587       8.14846818       0.11723347       1.37184059      -1.43407211 
Hf       1.74161539       1.84011158       7.44378068       1.94797656      -0.20974243       3.29314112 
Hf       7.07915805       6.94333399      10.32071170       0.74992693       4.62211008       2.40582605 
Hf       9.24443944       9.22298814       2.64240745      -3.08097700       0.85093755       0.77010647 
Hf       5.67688054       8.87828926       2.58886068      -1.80917961       0.76916280      -0.14004868 
Hf       5.38249490       9.45389581       7.50727631      -0.94040752      -2.33057259       2.65626372 
Hf      10.83209827      10.55104992       5.25216889       0.10114390       3.16394590       0.55165793 
Hf       3.46580088       3.69083953       5.12579688       1.22691248       0.73349114       0.63338359 
Hf      10.86856455       7.26658968       0.19405759      -2.66940265      -0.58049636      -1.21361694 
Hf       1.70597892       9.16631779       7.86449967       0.57645278      -2.39749872      -2.37850858 
Hf       7.36805626       3.41957500       0.37262394       0.97251749       1.74610064      -0.99511153 
Hf       9.04970804       5.51671051       2.43588747       2.04813312      -1.22218901       1.71894923 
Hf       3.78591986       7.19333644       5.17134980      -2.28839494      -1.33010792      -0.53202943 
Hf       3.84104279      10.83046780      10.48841436      -2.35077479      -0.31891462       1.26619065 
Hf       7.21552300      10.90430817       5.15501111       2.50210820       0.44062416       0.72190742 
Hf       4.96007340       1.86737504       2.53941117       0.91227628      -1.18683413      -2.39650537 
Hf       5.55653162       1.91415530       8.04301734      -4.17469295       1.57367002       2.47831545 
Hf       2.08805419       8.88076915       2.36975978      -1.08830406       2.27982638      -0.31116845 
Hf       3.56244113      10.81042445       4.97669210      -3.85352960      -0.16455397      -3.09070184 
Hf       3.34781057       3.48444087      10.59758695       4.26073655      -2.57447244      -5.45151376 
Hf       7.16030793      10.88695901       0.01594010       3.18559935      -0.65165585       0.62482273 
Hf       8.77109696       1.81622181       2.89653547       2.96170638      -0.15817550      -2.66479915 
Hf       5.45475509       5.27423374       7.87861806      -3.22475158       1.45637873       2.60847990 
Hf       8.86964213       1.59004066       7.83925303       2.70528947       0.37153136       0.22239161 
O      10.81708942       8.90567269       1.76842730       2.95449570      -1.13671532      -3.37910828 
O       5.51984239       6.92413974       3.24062065       1.61039251       2.55883409       5.02760007 
O       0.27555972       5.26479076       4.14139545      -0.14258904       0.43469795       1.54332122 
O       0.03313839       1.82034981       3.95177462      -0.42899433      -0.19694284       1.39671665 
O       1.64405802      10.65359424       3.55746699       1.11458861       0.65139002       0.55994657 
O       1.74822986      10.51592443       0.96762047       0.28964671      -0.25229959      -1.51370611 
O       1.91045864       4.03645082       0.83428552      -5.47214667       2.74875902       3.40717385 
O      10.64829800       1.63272502       9.23855217       0.36012467      -0.27339752       0.34322689 
O       1.90574208      10.78989345       8.84574982      -1.93984081       0.87118664       1.27708831 
O       1.65272202       0.08525521       6.31436046       0.86467910       0.02778108      -0.78812338 
O      10.90607241       2.19053848       6.83441107      -0.55528070      -1.55851321       0.08005131 
O       2.04792444       3.58183369       3.44102013       0.05127661      -0.23401272       1.68201870 
O       1.75969564       7.49622985       0.56679865       1.92854556       1.44071784      -0.16291652 
O       2.35807401       7.18974495       8.49554574      -2.16539706       2.71921008      -0.37057362 
O       0.62953055       1.80298170       0.93020469      -1.12079678      -0.21674742      -0.43906498 
O       3.65326911       5.31876922       6.54518419      -1.01963746       1.72326889       0.13915202 
O       3.83703563       2.06026956       6.60835945      -1.43300778      -2.00991450       0.50383954 
O       5.09021753       3.66330612       9.10570635       1.80093215      -2.62458343      -1.95162504 
O      10.87668974       5.94594095       1.63511147       0.67388150      -2.27639097       1.36515885 
O       1.74467431       7.38543708       5.70121151      -0.36976644      -0.66952427       1.60620479 
O      10.78500270       9.13620051       6.79207513       1.75225728      -0.56298207       1.70531807 
O       3.49162067       1.75846912       3.87101165      -1.98240806      -0.54540443       3.00557904 
O       5.05504778       0.06939136       3.37205982       0.46531517      -1.53183847      -0.46459680 
O       5.45047250       0.46599429       0.79443941      -0.83303533      -0.86833890       1.10357218 
O       3.31008654       1.77961913       1.25981200       0.23540633       0.18956266       2.36930046 
O       3.64351783       1.53213240       9.56744095      -0.13210523       2.92269552      -2.92736211 
O       5.60607608       0.05669708       9.05981788       0.77086935      -0.50781511      -3.12606473 
O      10.55467109       8.68516073       9.41660800       2.66443497       3.74589352       0.47606737 
O       3.83550781       5.44651454       4.02672660      -2.10655568      -0.26088096      -0.45410655 
O       5.28789357       3.56455925       3.84201329       0.52609372      -0.43219668      -0.88209071 
O       5.06427876       3.69722830       1.10944205       0.65782499      -1.73784453      -0.99761408 
O       8.78214017       7.74928584       6.22778566       2.83060853      -1.99878956       0.26410030 
O       3.57614851       5.40735637       9.17456240      -0.34541145       0.01420938       2.13422525 
O       5.35240589       3.80611309       6.49817286       1.58369939      -1.25826857      -0.50078836 
O       0.10192586       5.60247627       9.50106434       1.21548511      -0.88176560      -0.46510415 
O       9.23094055       0.05371891       6.44156578      -1.79911379       1.04793715      -0.01471810 
O       1.80971416       3.73159202       6.49862555      -0.30640684      -0.83866220      -2.14732037 
O       6.94638787       1.97129402       1.59882003       2.13816831       0.55822408       1.79487248 
O       9.22163091       0.10043376       1.50513113       1.75235218       1.05663518      -2.97845534 
O       6.82473781       9.18048269       4.32997538       0.87126410      -2.74049491      -0.57546814 
O       7.34103384       1.82488340       4.15883615      -2.41175433      -0.63392975       2.38587069 
O       3.58411746       9.13352100       6.70509600      -1.70608098       0.69211241      -0.46348752 
O       9.15876374       7.03174541       8.72682800      -2.75238847      -0.36217433       0.81774613 
O       7.43690585       1.90902625       9.70100401      -0.76486753      -0.34751768      -2.25119067 
O       7.37484789       8.98018981      10.06658613       0.78406298       0.45000510      -2.29850189 
O       5.58028806       7.31060223       9.01177969      -0.86994076      -0.55666384      -1.90099919 
O       9.16583320       6.95682182       3.83734599      -0.46745263       1.65705066      -0.75786842 
O       5.41958316       7.37400986       6.20325223       1.58995391      -0.30024115       0.62273075 
O       7.36047208       9.76874890       1.90757632      -1.74127394      -1.13561277      -0.41509317 
O       8.71736983       7.07768687       0.93385724       1.62684819       0.17726543       0.79042603 
O       6.88089181       5.21120705       9.63744546       1.01461721      -3.54273700      -0.92882656 
O       3.97172902       9.17462660       9.40767529      -0.76011371      -0.88095080      -0.77289922 
O       8.87973096      10.89744226       9.10371756      -0.31997800      -1.44430078      -0.53769601 
O       7.36603269       5.29486717       7.06012618      -4.82476712       1.29436710      -2.38619112 
O       5.25223299      10.67452152       5.65008102       3.62928185      -0.03053753       4.62809620 
O      10.70625108       5.20571634       6.73735948      -0.18180107       2.05460044       0.22771415 
O      10.71658522       9.05487336       4.20318108      -0.56018098      -3.97714660      -0.39909903 
O       1.73746307       7.17807933       3.24992889      -0.47615672       1.95779936       1.25335402 
O       3.58155792       8.76524580       3.90012129       0.96153191       1.80937114       1.36266608 
O       3.53515729       6.04220672       1.41307644       0.44387557      -0.85785602      -0.26637587 
O       5.80776245       7.43306829       1.16235683      -0.19530810      -1.35829999      -3.52660319 
O       9.05932138      10.88000907       3.82204650      -0.63609221       0.29924242       2.52499584 
O       9.13867887       3.77906491       9.16861079       0.05410383      -2.42940877       1.50260448 
O       7.30336338       5.09283536       1.76763926      -2.80418004      -1.03664352      -1.28380963 
O       9.41957844       3.44803025       1.24181402      -1.85914115      -0.01115824      -2.02816869 
O       9.25208508       3.59193095       3.59980336       0.05562660       1.03615466       1.21314840 
O       7.54800626       5.26901627       4.57080375      -1.01963382       1.34338609      -0.79192540 
O       3.82042524       9.09356250       1.42662109       1.22354050      -0.14875212      -0.75670566 
O       8.84002181       3.35816191       6.35217632      -0.04261979      -0.20758325      -0.03553688 
O       7.05248413       1.47537144       6.81567034      -0.57753610      -0.16901640       0.15353578 
O       1.61110051       3.43752103       9.05924869       0.67199402      -0.01306333      -1.81551390 
O       7.19176787       9.16545216       6.82575758      -0.76210504       2.36465006       1.36362042 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0034402856079923144 -0.002886445195842918 0.001653565203489955 -0.002886445195842918 -0.01460641893420893 -0.0027917599857165513 0.001653565203489955 -0.0027917599857165513 -0.003858727614507955" pbc="T T T" energy=-1063.5865837 free_energy=-1063.58658796 config_type=crystal 
Hf       1.70249535       1.69733255       2.65537324      -3.71464306       0.52486656       0.90204635 
Hf       3.66600206       7.28391780      10.44547129       0.38835575       1.51546209      -1.28430560 
Hf       5.17892596       5.33849123       2.23060290       0.92971850       0.57854458       3.73836854 
Hf       8.87290756       5.23891072       8.01641784       0.14861217      -2.95007312      -2.15903925 
Hf      10.79571043       7.01727472       5.25910952       1.31930493       4.24226850       1.26047040 
Hf       0.15307844      10.91350880      10.45473212      -0.75440545      -0.07442534      -0.31682898 
Hf       6.85992268       3.67751704       5.24611355       3.53611170      -2.75276708       0.88340485 
Hf       7.29549577       7.21114366       5.24533306      -2.02722195       0.51332764       0.43112139 
Hf       1.77900197       5.39562392       2.68618671      -1.08834978      -1.83382413      -1.51311170 
Hf      10.92725869       3.56576189       5.32979970      -3.20014786       0.34538932      -1.04897722 
Hf      10.85074921       3.47004940      10.21233565       2.21826413      -0.94202080       2.09780604 
Hf       1.61470777       5.40086921       7.87170486       1.59932906       0.94769277       0.70067983 
Hf       8.95652748       8.90278863       8.03263079       0.99554860       0.44216658      -0.02215205 
Hf       1.76213225       1.85687251       7.44154285       0.75021921      -2.29994349       3.66251254 
Hf       7.08821121       6.96967737      10.37957585       0.67636793       1.61220896      -1.03768223 
Hf       9.23104693       9.21540461       2.62131027      -0.35559428      -0.49240847       0.74033955 
Hf       5.61832938       9.00136820       2.63357507      -2.27729513      -2.43267227       1.61002238 
Hf       5.35759970       9.42538216       7.43925474      -2.99849098      -3.21462646       1.79110970 
Hf      10.82443531      10.56435915       5.29372158       0.57396063      -0.20895204      -0.17408325 
Hf       3.49977829       3.65029674       5.16738189      -0.31723258      -1.09764383       1.31106388 
Hf      10.87298748       7.25911813       0.16406117      -1.89842791       0.43646669      -1.67719389 
Hf       1.69549479       9.13114015       7.89100340      -1.77275150       2.51737200      -1.92822416 
Hf       7.36301760       3.42610620       0.35097404       1.00782246       1.31501145      -0.98326668 
Hf       9.07696328       5.54706312       2.47678319       0.38863067      -1.22677689       1.71288395 
Hf       3.76976776       7.13390474       5.16686659      -1.56645911      -0.11386298       1.33175764 
Hf       3.81876770      10.77993752      10.43747318      -4.39692539      -0.77108932      -1.87159235 
Hf       7.25347513      10.94827985       5.13860185       1.25067485      -2.47607061       3.46203185 
Hf       4.92187278       1.77692417       2.55451242       2.11404666       0.23629173      -0.68683097 
Hf       5.51366386       1.95628057       8.06237976      -2.12483871      -3.98520877      -3.56174004 
Hf       2.01975076       8.93509020       2.37443229      -1.20730923       1.57421204      -1.06536224 
Hf       3.52633399      10.77838034       4.92687621       0.25952176      -1.62862361       2.15423428 
Hf       3.36678077       3.42077282      10.59884840      -1.39872880       0.82436430      -3.04414207 
Hf       7.16075768      10.82573382       0.06677584       3.45288909      -1.30487997      -2.18623229 
Hf       8.81050482       1.85080563       2.83601139       0.13368457       0.00106319      -0.15416575 
Hf       5.39304444       5.25020833       7.91145179      -1.46418829       3.50113703      -0.12826135 
Hf       8.90427163       1.55025702       7.80247531       2.17025867       0.57877470       0.13848595 
O      10.83606313       8.98919553       1.54238450      -0.52297053      -0.22446976       0.07191586 
O       5.61993991       7.05566312       3.68006273      -0.07742459      -0.59438872      -0.45348832 
O       0.47453799       5.53840076       4.29291312      -0.65623337      -3.18100282      -0.57094050 
O       0.28230303       2.04162299       4.17197976      -1.42185031      -2.78095258      -0.46260330 
O       1.34676882      10.85346784       3.56190481       2.18932409      -1.41831115      -0.57959839 
O       1.81571980      10.40270261       0.73062237       2.49301034       0.27273557       1.79955446 
O       1.71676773       4.07619382       0.82501671      -0.53184629       0.20141831       1.08963471 
O      10.80500780       1.68758456       9.32972964      -1.38846099      -0.02831967      -1.08844778 
O       1.56167843      10.72099216       9.03787537       1.03907376       1.80748262      -0.95106229 
O       1.52645336       0.01787855       6.37040155       1.66435180       1.64984847      -1.04060079 
O      10.76449405       2.18013762       6.94599772       0.74704457      -0.38943745      -0.37793597 
O       1.94458493       3.66148490       3.68970110       0.99656352      -1.63084236      -0.26573636 
O       1.72839698       7.74968847       0.34712061       2.87180166      -0.37901707       1.34182071 
O       2.16794808       7.44181030       8.42049564       0.69596902      -6.01942466       2.20787837 
O       0.64609066       1.70182199       0.88854008      -0.45448667       0.80970707       2.04090597 
O       3.56297019       5.37040189       6.62360580      -0.95571251      -0.43307689       1.96029844 
O       3.78207288       1.85071951       6.53438693      -0.57858973      -0.60072469       0.77852080 
O       5.26147438       3.58303742       8.87552781      -0.85212693       0.51308247       3.28507592 
O      10.95511333       5.96564488       1.77489260      -0.53789727      -0.65931884      -0.80987405 
O       1.82999799       7.35381083       5.81371851      -0.50367337      -1.18444225      -0.00383491 
O       0.01073359       9.06609252       6.73587493      -1.06255567      -0.22295148       1.08144514 
O       3.36033459       1.59187371       4.08313715       0.50533055       0.70894548      -1.11232608 
O       5.23364954      10.91296067       3.41464193      -0.88276922      -0.03743770      -0.01266680 
O       5.39856002       0.35022180       0.79475414      -0.49729485       0.85577953       0.42064685 
O       3.23285901       1.96235995       1.43502767       1.72283916      -1.47825629      -0.10894458 
O       3.45168561       1.77494825       9.18305050       1.36183795      -1.26633552       1.53143361 
O       5.60002760      10.91566340       8.65034894       0.85506724       2.97373295       2.21834702 
O      10.77084700       8.93759376       9.47835771      -0.84541565      -0.79061530       0.19562855 
O       3.67207892       5.33031279       4.20036684       0.56710904       1.98401676      -2.04261599 
O       5.21625963       3.46555065       3.67709362       0.69722711       0.45523742       1.08852808 
O       5.06245820       3.50928503       1.16733503       0.51045297       1.44973216      -1.29990916 
O       8.92040270       7.88127858       6.07670825       1.46432438      -2.39203928       0.47000400 
O       3.50985868       5.41582437       9.76853664       1.15902439       0.30309197      -1.27573581 
O       5.36963497       3.74015676       6.47921083      -0.91096112      -1.12407692      -0.82713001 
O       0.13078287       5.54924785       9.49952685       0.38821324      -0.20858659      -0.40387999 
O       9.19266927       0.15526361       6.38862507      -0.33360455      -1.11464528      -1.26377204 
O       1.73346292       3.47836380       6.37042142       1.55735271       1.84802742      -1.48647338 
O       6.96048693       2.08859531       1.80038668       1.50756472      -0.48861488       1.16696935 
O       9.21088318       0.29421111       1.48892424      -0.04407797      -0.42527076      -1.61523127 
O       7.00968211       9.04120191       4.32525249       0.22462869      -0.80972759      -0.64978878 
O       7.27842205       1.64619016       4.31660069       0.16694069       4.89874649      -2.40247149 
O       3.33410757       9.13357491       6.78494796       2.87947720       1.55948002      -2.76924676 
O       9.07639291       6.95196809       8.72184161      -1.05918817       2.05370168       1.58574696 
O       7.45673522       1.75568136       9.86962374      -0.84783709       0.16990283      -1.78127557 
O       7.51834311       8.99331028       9.75672665       0.43161935      -0.64733928       1.43631297 
O       5.68777870       7.54647176       9.12028360      -1.66391495      -3.00005255      -1.10005856 
O       9.39451527       7.13301467       3.71617305      -2.61246378      -0.18697076      -1.35340749 
O       5.38512292       7.24686285       6.49485045       0.27472677      -0.16516109      -1.80902378 
O       7.14833434       9.66931301       1.74810869       2.80449651       0.05527956      -0.28818220 
O       8.66534647       7.01849040       1.11751361       1.35868174       1.39747537      -0.85828413 
O       7.02465414       5.01535792       9.48451403       0.27768839       2.07561493       1.21990963 
O       4.02733061       9.26122052       9.24349019      -1.60510706      -0.71638676       1.52099024 
O       8.85908898      10.69157256       8.87364967       0.37937407       2.64573996       0.67587147 
O       7.12406077       5.18195080       6.99424084       1.47698046       1.62565006      -0.66419486 
O       5.38187512      10.73558796       5.84958204      -2.18748640      -0.87077822       0.49157870 
O      10.89370999       5.27637443       6.65130348      -1.59004151       1.32729716       2.50872749 
O      10.86917929       8.87863536       4.22658018      -0.60180813       1.17403252      -0.92230783 
O       1.92190623       7.19643030       3.19285041      -0.26196747       1.59847888      -0.11134192 
O       3.54062379       8.72276501       3.83635654       1.19763692       3.53755878       1.77973195 
O       3.47679884       5.93735627       1.57564349       0.88438808       0.66496315      -0.98743319 
O       5.74079259       7.52599215       1.06997232      -1.27241100      -2.24301872       0.44467157 
O       8.83460342      10.78539974       3.86026924       2.53823211       0.29604663      -0.46617920 
O       9.06714901       3.74359914       9.22370505       0.46717626      -1.23744632      -0.09259619 
O       7.12630862       5.08778333       1.71331763       0.13758835       0.00679748      -0.53741714 
O       9.30716539       3.52937625       1.16060963      -1.10768811      -0.37945649      -1.27063684 
O       9.47047782       3.69279003       3.52933904      -0.60871313      -0.41968467       0.68846018 
O       7.65480042       5.22166367       4.56169289      -0.10520710       3.04162050      -1.69931283 
O       3.89044668       9.14319110       1.38704177      -0.52873911       0.16703574      -0.44040281 
O       8.77447130       3.30684072       6.33303094      -0.27783769       1.06579118      -0.36843482 
O       7.15819211       1.38958476       6.75443614      -2.15832718       1.37962640       2.46258329 
O       1.82676816       3.58870858       8.96238704      -1.25771071       0.29980797      -1.38201157 
O       7.16393612       8.97648712       7.04968468       0.95830258       0.89448556      -0.59745535 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008426306622336654 0.008895542005152695 -0.004834831191165513 0.008895542005152695 0.007231028932512557 -0.006418480557321587 -0.004834831191165513 -0.006418480557321587 -0.0052487159910004355" pbc="T T T" energy=-1063.48840638 free_energy=-1063.48840848 config_type=crystal 
Hf       1.77586111       1.71839042       2.62782383      -1.98993862       0.63767697       3.33683642 
Hf       3.74380960       7.29310725      10.60084909      -0.50457015      -2.25969036      -0.75810793 
Hf       5.17895664       5.41957866       2.38880802       0.90909561      -1.68115131       0.79513804 
Hf       8.81796684       5.19334066       8.00838179      -0.42701993      -0.12931557      -0.04519922 
Hf      10.84447920       7.13539684       5.34562469       3.05910521      -0.16918598      -2.05999123 
Hf       0.09882093      10.94725711      10.47204432      -0.22055923       0.87176288       0.24860600 
Hf       7.01582689       3.68099425       5.29455915      -0.54724907       2.23478169      -0.05488173 
Hf       7.31388980       7.31306361       5.26856997      -1.88139733      -0.88190766      -0.44637290 
Hf       1.72800004       5.28911987       2.69145274       0.35103034       0.45857191      -0.83225656 
Hf      10.93921114       3.60188054       5.20710724      -1.51096165      -4.01396324       0.14138357 
Hf      10.84595290       3.51348884      10.15857034       0.18573831       0.67771056       2.54900070 
Hf       1.70846560       5.42860082       7.81419006      -4.04401808      -0.20805253      -0.51302008 
Hf       9.00500252       8.90000416       7.84457433       0.48541333      -0.82083887       4.12355735 
Hf       1.81876327       1.83829081       7.51919970       0.04517968      -0.91428301       1.31761717 
Hf       7.12465295       7.05731956      10.45033841       1.51415776      -0.50596318      -0.19060407 
Hf       9.19798129       9.17761627       2.59866710      -0.56475215      -0.28914018      -0.81731647 
Hf       5.46961384       9.14191155       2.73262385       1.56886622      -2.26248452      -0.07252263 
Hf       5.24363407       9.29631391       7.39270610      -0.06133002       0.11137696       2.04624045 
Hf      10.84056802      10.59158898       5.34742280       1.61346340       2.18969217      -3.80170420 
Hf       3.55740016       3.55381448       5.25797158       0.79809908      -1.04674510      -3.47073429 
Hf      10.84834930       7.26119001       0.07032093      -0.30086062      -0.43521747      -0.12700225 
Hf       1.66532734       9.10021608       7.90910469       1.30377681      -0.21264102       1.11896732 
Hf       7.35156584       3.45685750       0.27353200      -3.16358073      -0.16989587      -2.37963130 
Hf       9.12450038       5.57081836       2.58872441      -1.85097127      -0.42278136      -2.07711523 
Hf       3.70112601       7.04005805       5.19487220      -0.10038864       1.77024045      -0.32011716 
Hf       3.68523335      10.68504738      10.31272496       2.50159842       2.74193549      -0.31933308 
Hf       7.33321421       0.04282854       5.18495152      -2.83602314       0.72492022      -1.91719355 
Hf       4.93531623       1.63726639       2.57084261       3.82698984       3.98059190      -0.30260015 
Hf       5.38027927       1.93310699       8.00377305      -1.93002855       0.57905153       1.04751063 
Hf       1.87450608       9.08427148       2.34729114      -0.44097198      -1.96310672      -0.82315644 
Hf       3.46059360      10.69080991       4.92072106      -1.27088136       7.97713834       4.63349179 
Hf       3.38624739       3.33633482      10.51969179       0.98540925       1.86138866      -0.53248003 
Hf       7.24430386      10.70328496       0.08486906       1.32628731       1.82551582      -1.79892085 
Hf       8.90000011       1.91116431       2.72625166       2.52757058      -0.79475865       0.03935135 
Hf       5.25554981       5.29550985       7.96964376       2.25072880       1.72570506       1.75530303 
Hf       9.00734437       1.50937076       7.75269938      -0.03195141       5.10155392       0.24217844 
O      10.76862852       9.08939801       1.30758234       1.07458619       1.00078961       1.19708311 
O       5.53149092       7.15944909       4.10303623      -0.30033027       0.65776046      -3.01667555 
O       0.54072155       5.31377811       4.42024450      -1.57665653       2.97575341       0.43962682 
O       0.23516057       1.62421813       4.41515958      -1.39547164       1.20480713      -0.65264485 
O       1.43987532      10.74813598       3.40082944       2.31303203       0.55527898      -0.08254103 
O       2.18569242      10.49025474       0.74454519      -4.36432399       1.54504941       0.55221666 
O       1.30332105       4.10814656       1.07974697       1.85346235      -1.61701850      -1.44680340 
O      10.75219967       1.73826461       9.30391308       0.37756653      -1.48726291       0.97020239 
O       1.54108575       0.04338697       8.75564438       0.46613005      -1.91900355       0.73227249 
O       1.60626135       0.18293069       6.19050413      -0.74052501      -1.84257671      -0.54785530 
O      10.77545126       2.10536664       6.92545335      -0.05315001       0.11987579      -0.83450236 
O       1.99039679       3.48923062       3.72201433      -0.77604216       0.38890672      -1.85773013 
O       1.95439866       7.99534336       0.43496313      -1.65819618      -1.21993119       1.08300248 
O       1.95147341       7.00462723       8.73741916       0.95555478       4.68311705       0.71145976 
O       0.51727636       1.69016755       1.21996654      -2.01961338      -1.23137331      -2.29876367 
O       3.48244063       5.30727156       7.07889274       2.23851183      -0.47246536      -2.21263031 
O       3.56777681       1.44155652       6.62021770       1.53822591       1.62821289       0.34057712 
O       5.35043217       3.73942457       9.29860995       0.13882385      -1.91408986      -3.76030801 
O      10.91134488       5.95992913       1.76225036       0.74117741       0.89716530       0.19832536 
O       1.85130358       7.07666764       6.01065305      -0.96520778       0.60707489       0.82534315 
O       0.00180971       8.98216825       6.83929000      -0.32536545       0.50620547      -0.45559974 
O       3.37069174       1.62167633       4.02917500       1.88749971      -0.65229920      -0.02725226 
O       5.39760235      10.92121010       3.58064810       0.94671685       0.46913757      -0.24422231 
O       5.33686108       0.37188247       0.89372618       0.63217841      -0.94947945      -0.86072903 
O       3.40097171       1.98606862       1.45697134      -2.37981710      -1.02166528      -0.76323382 
O       3.45819490       1.86151851       9.09133924       0.47277858      -1.82873584       1.84250330 
O       5.69534513       0.09852807       8.62501780      -1.63172966      -3.62088435       1.02741049 
O      10.88877880       8.97534759       9.51456582       0.30164231       0.52587146      -1.83092473 
O       3.55812797       5.45807202       4.10630848       0.52126572      -2.10326067       1.79189891 
O       5.21554332       3.48438478       3.68098532      -0.04273116       0.92248905       0.16722790 
O       5.15733661       3.49018642       0.95006743       0.42762967       0.18699666       2.06020045 
O       9.15742371       7.56279182       6.12281026      -2.08658659      -0.04267203       0.97259924 
O       3.67303943       5.22201799      10.22889861      -0.50034985       2.77048017      -2.62188994 
O       5.20619785       3.41509224       6.34075886       2.00981617       1.03542743       1.51088931 
O       0.11295746       5.45325686       9.51424472      -1.29679681      -0.03509743       0.80653671 
O       9.00525330       0.05367191       6.06809249       1.49329994      -0.11943800       3.28142119 
O       1.85656509       3.39637380       6.08658216      -2.00759493       0.77690699       2.06210715 
O       7.17674029       2.21935615       2.13034847      -1.86275966       0.05070685      -2.99820570 
O       9.12824876       0.46250546       1.04792353      -0.35818223      -1.06811476      -0.64542950 
O       7.40921522       9.00992922       4.08580737      -1.36598387       0.73423176       2.12315694 
O       7.28342270       2.04299446       4.34328639       1.81207703      -3.81839617       1.05139687 
O       3.43162594       9.40907196       6.41260070      -1.27446909      -3.21279481       3.62793135 
O       8.75583953       7.06068864       8.97941566       2.06509038       0.19038763      -2.36609219 
O       7.25239070       1.64603054       9.80359448       0.00608816       0.86646643       0.72831181 
O       7.73721868       8.93618241       9.75720804      -1.52112886       1.76491286       0.18698379 
O       5.47708934       7.12302302       9.06623195      -0.66223043      -0.18987186       0.39639362 
O       9.20972305       7.39390388       3.34494981       1.03600709      -1.33569323       3.11402109 
O       5.32064796       7.08743651       6.50582925      -0.74335546       1.85288573      -0.34250754 
O       7.34314878       9.36577451       1.63304774      -1.66935083       0.46242493       0.46282675 
O       8.89239500       7.24402076       1.03510091      -0.08669690      -0.85821983      -1.57811034 
O       7.33067910       5.25254667       9.49405196      -0.30551440      -0.52856690       0.47158915 
O       3.74526160       9.15255355       9.14922860      -0.19771256      -1.15952020      -1.14993096 
O       8.98981411      10.87634396       8.66592786       0.74055327      -4.01260033       1.53718935 
O       7.07259299       5.38724061       6.76247836      -0.02844162       0.16322140       1.02037557 
O       5.36336069      10.70323423       5.97813596       1.92424773      -0.82876419      -0.31746115 
O      10.66898490       5.61048861       7.02242065       0.30210309      -0.51323615      -1.66534144 
O       0.04150275       8.98134413       4.08499393      -0.51654062      -0.99743063       1.52105620 
O       2.14980845       7.29627912       3.17233889      -1.02423498       1.27327124       0.97729839 
O       3.76592998       9.21663913       4.01005874       0.28449053      -7.16578222      -4.19071195 
O       3.46736178       5.92783901       1.75502498      -0.95234300      -0.35127152      -0.47462984 
O       5.40281576       7.11579086       1.12312615       2.26074114       0.97568872       0.35529213 
O       9.05679986      10.81627791       3.74408215      -0.25378737       2.39397720      -0.71387486 
O       9.03155263       3.47196889       9.05277043       0.13966338       0.44299541      -1.32017110 
O       7.02392261       5.16326458       1.46297365       1.49655218       1.13266208       1.07832651 
O       9.15045986       3.60343914       0.95255174       2.38192271      -0.12584922       1.05419264 
O       9.65773482       3.72778240       3.51939923      -0.61718334      -0.56940764      -0.09395100 
O       7.75080445       5.63162810       4.17979335      -0.93027728      -1.66832706       1.19340085 
O       4.02977972       9.19756737       1.35367288      -0.10609366      -0.54981366      -0.27167365 
O       8.67587354       3.52681890       6.24541429       2.58106499       0.27066086       0.57954620 
O       6.99966032       1.56225384       7.04256420       2.59147580      -0.10490722      -2.04874662 
O       1.89138917       3.68251089       8.68015042      -1.12195386      -1.66994908       1.79371644 
O       7.25234819       8.89255660       7.06477084      -1.88046140       0.55009624      -1.87777743 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013824635831310715 -0.007250554133163894 0.0013551812152369663 -0.007250554133163894 -0.0007797103538910909 0.003093423862049155 0.0013551812152369663 0.003093423862049155 -0.02215735552443283" pbc="T T T" energy=-1063.16924128 free_energy=-1063.16924214 config_type=crystal 
Hf       1.59452715       1.73554894       2.38031980      -0.27498315      -1.11131484       1.51495023 
Hf       3.60645982       7.36225396      10.54722504      -0.80513648       0.93954535      -1.04998765 
Hf       5.39124108       5.29963599       2.50904688       5.98341006       1.72254785       1.28640522 
Hf       9.16834980       5.36429304       7.47812287       1.34592542       1.51351938       0.76533567 
Hf       0.08957899       7.05965878       5.36273855       1.74102912       4.97050216      -1.43633572 
Hf      10.78832631       0.27872469      10.48538531      -0.95516611      -2.16913755      -0.61484204 
Hf       7.10769426       3.57709061       5.47948865       2.40791501      -1.67258503      -3.46649010 
Hf       7.43936963       6.99578431       4.83923628      -2.58505871       0.66863479      -0.08753068 
Hf       1.71151236       5.68167598       2.67117378       1.50662364      -0.85908746       0.80639226 
Hf       0.21911693       3.55411150       4.77951947      -1.75550246      -0.34949949       1.51792713 
Hf      10.57990408       3.87398792      10.28636749       2.17509529      -0.75328317      -1.73130159 
Hf       1.88813841       5.47130490       7.63444315      -4.12048216       0.38545912       5.84648478 
Hf       9.17338298       9.04353839       8.09030278      -4.43656134      -0.88177370      -1.69300407 
Hf       1.52293045       1.80160628       7.94826693       3.57169463       2.43838235      -1.44653836 
Hf       7.20247133       6.95029544       0.00376373       0.48852242       0.42214967       0.12682871 
Hf       9.04096351       9.32704702       2.71163200      -1.14046408      -0.56232534       0.61106668 
Hf       5.51183859       9.02647080       2.57564447      -0.58988669       0.54509483      -0.24961578 
Hf       5.32491937       8.98915861       7.67160596       1.02581835      -0.86897404       0.00885405 
Hf      10.84342075      10.81367148       5.24829068      -1.46156763       0.83563329      -0.79325119 
Hf       3.68663944       3.61643186       5.55246110      -1.24467251      -1.83126218      -1.51027319 
Hf      10.90152710       7.21872642      10.33033339       1.80523036       0.10205947      -1.34036832 
Hf       1.67140704       9.34546931       7.76962947      -2.03958487      -1.78971466       2.06167198 
Hf       7.15115365       3.34387462      10.41664321       0.33938344       0.00307042       1.20463623 
Hf       9.33243332       5.27428304       2.25181562      -2.62605756       1.31510303       0.39412457 
Hf       3.48289279       7.10148254       5.34563776       3.03980389       3.07540514       1.94531878 
Hf       3.75664817      10.86426716       0.14253712      -0.50409016      -1.59400179       1.35642108 
Hf       6.95284413      10.93675853       5.55694186       2.19564032      -0.16322876      -2.20990892 
Hf       5.20440140       2.11871576       2.69744792       2.52398389      -2.30771493       3.78926536 
Hf       5.50195157       1.53464417       8.00562781      -2.01791129       2.76977755      -2.25119643 
Hf       1.71253609       8.90015075       2.74517362      -0.99522124       3.95969302      -1.67561885 
Hf       3.46963044      10.88808814       5.02694548       0.05128634       2.08615741       0.69075483 
Hf       3.47231861       3.33989026       0.00716852      -0.84300468       0.41366460      -1.66738100 
Hf       7.22362331      10.56984603      10.35939541       2.21768728       1.09958769       0.74343881 
Hf       8.97130636       1.68497802       2.41861258      -2.12231964       0.07748999       0.25998086 
Hf       5.32636677       5.33832984       8.15202974       1.29558504       0.15260552      -0.24852768 
Hf       9.11333008       1.74877886       7.83742017      -1.61431888      -0.34372376      -1.54746385 
O      10.75377470       8.95270449       1.94650897       1.07054180      -1.30500073      -1.88285048 
O       5.19981116       7.15186907       3.36298265       0.26111130      -0.18003500       1.85080594 
O      10.81724095       5.70694315       3.82889742       0.55762572      -1.23621679      -1.31391271 
O       0.37525790       1.66705247       4.44686493      -0.59263187       0.84918763      -1.55093628 
O       1.65219098      10.77835284       3.64536531       1.63583529      -0.70479525      -0.97946769 
O       1.48450316      10.90099507       0.69503499       4.51633732      -0.75440927       1.00268851 
O       1.30136825       2.85286165       0.75268424       1.55069745       1.25469000      -1.45503775 
O      10.59777090       1.93372348       9.35484650      -0.55323096       2.19977898       1.13804959 
O       1.09621354       0.13081409       8.72667239       0.63841232      -3.51241296       0.98544134 
O       1.65292142      10.67833519       6.17885453       0.25562130      -0.16117909       0.78420504 
O      10.83031397       1.53399393       6.98851053      -0.34545918       0.14564647      -1.69011118 
O       1.58787116       3.71781320       3.26234366      -0.91183358      -0.57674861      -0.05795004 
O       1.91296833       7.32392549       1.26817533       0.02193950      -0.64690792      -0.21515643 
O       1.57717580       7.03076496       9.15508390       1.93735866       0.77236965      -0.45605247 
O      10.76509794       1.07799908       1.71987892      -0.31840271       2.66904232       1.63920568 
O       3.55966915       5.48356893       6.83416214       3.69006383      -0.89477235       0.33982101 
O       3.48872839       1.81576439       7.22609876       0.55164623      -0.08584332      -0.80612609 
O       4.96414640       3.40866096       8.91501019       1.06046354       0.40416228       1.63965392 
O       0.34761197       5.17247682       1.19696071      -1.60194915       0.80760392       0.18306298 
O       1.85207838       7.38946023       6.52862601       0.85440498      -0.64363571      -0.08437452 
O      10.74318551       8.46721521       7.07208848       0.55029846       1.22652525      -2.25903919 
O       3.50248869       2.00132080       4.33840205      -0.34867561      -0.97565036      -0.01053318 
O       5.19007336       0.24309655       3.72139795      -0.34683968      -3.51881535      -0.00473659 
O       5.80415431      10.81570557       0.95978595      -4.54056499      -0.39894491       1.78314452 
O       3.55731679       1.52165616       1.76151919      -1.13620489      -0.05215187      -1.55325695 
O       3.36584381       1.55142591       9.82205323       0.38202946       0.48909109      -0.41480287 
O       5.56593209      10.86762748       9.00006175      -2.01989657      -4.06560477       0.77867267 
O      10.63226554       8.98201661       9.30786568       1.86529303       0.37974725       4.72589494 
O       2.98219176       5.48015318       4.58747661      -1.15111920      -3.53554004      -2.60474534 
O       5.02025558       3.83249185       3.86018112       0.26987698      -0.13627898      -0.37137453 
O       5.43300141       3.28335949       1.07171431      -1.54792201       1.40331586      -1.73087889 
O       9.16456362       6.77659803       5.62257955      -1.77471090      -0.69335519       2.15036010 
O       3.64852593       5.56508256       9.60842712       0.61377132      -1.36491925       0.61360529 
O       5.44943606       3.66242372       6.45010417      -2.64600864       0.08169065       1.35281557 
O      10.82772135       5.50231356       9.03297147      -0.65706138      -1.39546243       1.22936538 
O       9.05706379       0.13843498       6.30966117      -0.75618555      -1.32734073       0.70523450 
O       1.68420529       3.21788555       6.16239776      -0.17283478       2.38753649      -0.28734653 
O       7.36967928       1.80455378       1.24770015      -0.73201748       0.04158154       0.78520177 
O       9.06665829      10.83055851       0.94121698      -2.52291203      -2.08849116       0.64165394 
O       7.38094326       9.09938222       4.66430356      -0.23441416       0.05098287      -4.27532969 
O       6.94172313       1.85641389       3.95396132       0.95573008       0.75408924       0.84486935 
O       3.42264618       9.22183644       7.14012439       2.66881964      -0.13926622      -0.08296169 
O       8.76080237       7.06093581       8.61164227       0.55168482       0.13604395      -1.48013582 
O       7.14095624       1.52198561       9.32812923       0.36963506       3.69098933       0.14438193 
O       7.34667179       8.71591203       9.74128580       0.16963925       1.39391777      -1.68406148 
O       5.28680772       7.31828535       8.79350414      -0.79634030      -0.12886239       1.55493654 
O       8.42282237       7.07236686       3.10106666       1.62557394       0.33300469      -0.67915465 
O       5.49887523       7.27291929       6.27545099      -0.72315229      -0.64401093      -0.82568912 
O       7.17240314       8.68608563       1.53975924       2.34417075       1.77573392       1.89206435 
O       9.20114538       6.54859874       0.41019617      -0.33058122      -0.49101768       1.86247764 
O       7.00667227       5.31937235       9.58045946      -3.13149190      -1.20179228      -1.61263716 
O       3.07495161       9.22990335       9.73599691       1.00423282      -0.49436595      -0.12125707 
O       8.77634620      10.85905518       8.98025471       2.20759167       0.41876843      -1.18218363 
O       7.36905830       4.89033002       6.92310508      -1.73117888       2.82994929       0.87615096 
O       5.13976045       0.07048236       6.44548045       0.87057585      -0.52440170      -0.44212002 
O       0.20763910       5.60918572       6.58474586      -0.91539820      -4.25649377       0.68982343 
O      10.82842593       8.86994769       4.35858705      -1.49755561       1.98572089       0.30271423 
O       1.77936506       7.49376858       4.00444726       0.63148990      -2.91179555      -0.78472837 
O       3.66779271       8.99075753       4.74776129       0.56878518       0.79803421      -2.75815774 
O       3.69172500       5.00182529       1.96640932      -6.14787048      -0.03548826      -2.92855922 
O       5.35007972       7.35237746       1.01245721      -1.44706633      -1.26700440      -1.83494107 
O       9.18670899       0.16397352       3.83652224      -0.39930871      -1.32734811      -1.98484087 
O       8.81218744       3.94738139       8.77381391       0.95850056      -3.71034916       1.36927324 
O       7.22479944       5.16812521       1.33550473      -0.23771274       0.07701596       1.69845939 
O       9.01280506       3.33514938       0.68857914       1.48337396       1.53259347       0.27209670 
O       9.27314832       3.52871078       3.22253328       1.50469870       0.05933898       0.31760679 
O       7.14773538       5.08993421       4.14182114      -0.23155832       1.19479076      -0.13698480 
O       3.65003205       9.30480185       1.69812507      -0.28047120      -0.12208398       0.84552133 
O       9.15759101       3.38917319       5.98850030       1.46507125       0.77257746       0.29876562 
O       7.18877732       1.81825305       6.66534216      -0.68905414      -1.42909747       1.82174484 
O       1.97340557       3.56077965       8.79466993      -0.40751595       2.16357282       1.18697999 
O       7.11614233       9.19407909       6.85155916       0.55255031       1.70189407       2.34598114 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004462846341141667 -0.005648733986319819 -0.002124472305868764 -0.005648733986319819 -0.01388916745576319 -0.011496268476819357 -0.002124472305868764 -0.011496268476819357 -0.015509762561378652" pbc="T T T" energy=-1062.48342888 free_energy=-1062.48343085 config_type=crystal 
Hf       1.60700778       1.79389392       2.42318475       0.95466162      -0.71884092      -0.22461050 
Hf       3.64687869       7.31185571       0.04106535      -6.50766741       1.50806819      -4.12498564 
Hf       5.35994811       5.26066057       2.53890650       1.67202496       0.76262987      -0.40572749 
Hf       9.07129289       5.37224305       7.49373443       2.49006577      -2.49224752       0.48721952 
Hf       0.04175364       7.04986170       5.29456776       0.26657627       1.97670067      -0.21427183 
Hf      10.74830579       0.26614929      10.43099268       3.28007472      -1.96738549       2.22855114 
Hf       7.12269314       3.54163371       5.47558696       2.04871195      -0.98236665      -3.15499576 
Hf       7.29408781       6.99834265       4.81722340       0.29604657       3.33732693       0.34396316 
Hf       1.76673344       5.67362376       2.68001285      -1.00555697      -3.14174059      -2.44078969 
Hf       0.28370715       3.54775581       4.80846171      -3.42923834       2.41590503       2.09874143 
Hf      10.62696437       3.78956197      10.28758345       2.47206334       2.48892807       0.58476171 
Hf       1.86277045       5.48711408       7.69272589      -0.67594818      -0.09996537       4.63669686 
Hf       9.14151428       9.03757087       8.12966739      -0.04624746       0.16823090      -2.28692545 
Hf       1.57123272       1.78641097       7.92015290       3.16205994       2.64141227       1.10045263 
Hf       7.15723346       6.99371779      10.60665784       0.43641640      -0.32458311      -0.17360280 
Hf       9.12802591       9.32491652       2.71307680       0.74735497      -7.83593573      -3.23250815 
Hf       5.54189999       8.99498753       2.54367828      -0.74233416       1.11916435       0.76365523 
Hf       5.42090872       9.00152235       7.72379552      -1.99850334      -0.00732272       1.22970785 
Hf      10.92100336      10.93658235       5.19394216      -2.93942838      -0.86519274      -0.85561051 
Hf       3.66356293       3.65273413       5.52145609      -2.75806279      -1.61600740      -1.73880520 
Hf      10.88736132       7.18788594      10.32886393       2.59457990      -2.03032123      -0.44991764 
Hf       1.65845639       9.39412480       7.70226403       0.19438119      -2.47175430       2.89362399 
Hf       7.12913833       3.40021607      10.45675663      -0.09648613       2.47579290       1.68948499 
Hf       9.31014761       5.22537896       2.24008907      -1.15040100       0.11957973       0.05447649 
Hf       3.55399219       7.04271729       5.32492556       0.16368843       2.11574661      -2.18089422 
Hf       3.71505295      10.81824221       0.12210850      -1.77993075      -0.67310484       2.57356461 
Hf       7.06590041      10.89492797       5.60656100      -0.03715384      -1.28128746      -1.79444601 
Hf       5.17146865       2.09623142       2.66171960       2.56003265      -3.29677958       0.17391194 
Hf       5.49416536       1.59413525       7.96650905      -3.33947718       0.16337159       2.11019158 
Hf       1.78231901       8.96117458       2.72881261       0.18287820      -0.09432674      -1.59776689 
Hf       3.45575050      10.93029920       5.07234226       1.76566288       0.18557680       0.55242301 
Hf       3.43649720       3.35303833       0.00859440      -0.86930167       0.26399699      -1.53502757 
Hf       7.19528869      10.60041699      10.38678199      -1.75146913       2.32249754       0.59286606 
Hf       8.93069542       1.58182695       2.40785274      -2.94105048       2.91909977       1.76894633 
Hf       5.33682197       5.36921119       8.13956544      -0.59307270      -1.36209055       0.31591454 
Hf       9.11161240       1.78035515       7.75585120      -1.13224548       1.60728622       0.89986612 
O      10.95202100       8.91418133       1.95435327      -1.93066587      -0.66742574      -3.34838386 
O       5.15871225       7.19153374       3.51072075       0.69824770      -0.52729384      -1.20589530 
O      10.63397599       5.61657565       3.69472001       2.24731685       0.51509194       2.37910379 
O       0.03067439       1.74785407       4.34265099       1.22130035      -2.48441124      -0.16193978 
O       1.86686581      10.72172029       3.49950089       0.18827677       2.86524952       1.72826245 
O       1.63214676      10.82998475       0.89063006      -0.73616408       1.13695695      -0.22992982 
O       1.23254080       2.86131519       0.70219202       2.41961631       0.07296770       0.84970743 
O      10.63398114       2.04676650       9.55336550      -0.73551411      -4.31123974      -2.44267757 
O       1.28845365       0.09965128       8.92822512      -0.58047273      -0.78697939      -0.87136625 
O       1.65505959      10.71535321       6.09985236       0.07401919       0.29266113       1.68356206 
O      10.84951195       1.59456144       7.00476429      -0.41767511      -1.03338726      -1.58931329 
O       1.60429070       3.71866065       3.42660370      -0.74605828      -1.75458663      -1.16727522 
O       1.92439576       7.16795292       1.22143844       0.77728951       0.58132519      -0.82517560 
O       1.82689810       7.08240913       9.15502789      -1.44398612      -0.18369463      -1.16684591 
O      10.73420794       1.22239686       2.01541507       0.09629057      -0.90097311      -2.79869823 
O       3.67592820       5.48780025       6.70287157      -0.73124219      -0.95338490       1.85765250 
O       3.44817213       1.79179803       7.19568770       2.18873625      -0.50499077      -1.10595663 
O       5.02353537       3.27099257       9.20229697       1.32761508       1.22727833      -1.83100980 
O       0.32757706       5.23374266       1.18565698      -2.51723689       0.51111646      -0.40168900 
O       1.89127183       7.48597525       6.36792350      -0.40421041      -2.17512522       0.23127850 
O      10.89550294       8.55039053       6.89104536      -2.59651928       1.63414248       0.60589634 
O       3.27134536       1.97566645       4.42231418       0.46176872      -0.21879487      -0.73085623 
O       5.17705676       0.21270822       3.85948811      -0.25194366      -1.46655381      -0.86823731 
O       5.45378538      10.77750627       1.05081695       3.38243640      -1.21539089       0.82075830 
O       3.53065295       1.72993881       1.57962565      -0.60137344       0.54724029       1.64541367 
O       3.54030168       1.49376208       9.91520664      -0.96584140       3.02595976      -3.17487655 
O       5.38785524      10.77006375       9.05437997       0.99711326      -0.11696448       0.22302382 
O      10.94270128       9.06504589       9.54008021      -2.79283699       0.27569870       0.13504685 
O       3.02850759       5.37532924       4.30410715       1.91487395      -1.17326266       2.90523212 
O       5.17813998       3.68589859       3.74017642      -1.01648249       1.54993876       1.68515484 
O       5.30423368       3.68307019       1.01620276       0.53935287      -0.44735902       0.75016192 
O       9.01728233       6.72717715       5.84607755      -0.10381241       0.54484325      -0.48761065 
O       3.43854016       5.28962462       9.49345504       2.48864075       1.21900219       1.08185981 
O       5.38430615       3.67353026       6.45247125      -1.05473310      -1.55828488       0.78517824 
O      10.68556626       5.30432209       9.06724829       2.49332689       3.47090232       0.01175433 
O       9.10830226       0.00379779       6.32997733      -0.22234717      -0.31913959      -0.35081351 
O       1.59766615       3.27913387       6.38624131       1.54888814       1.70103420      -2.55153594 
O       7.22054479       1.92644892       1.28220082      -1.33289781      -0.66707912       1.61260953 
O       8.85227128      10.86554190       0.92136679       1.09041057      -0.73681124       0.41036405 
O       7.19706849       9.15773376       4.49372458      -0.46345980      -0.44081659      -1.75350314 
O       6.85770672       1.97878047       4.00225588       2.25372336      -0.59823470       1.54763920 
O       3.48909651       9.29800157       7.23040882       0.71804839      -0.55508098       0.30544530 
O       9.10279118       7.06042142       8.43403561      -0.83618881       2.90156004       1.56055609 
O       7.16843257       1.89785945       9.35485245      -0.06653510      -3.52857836      -1.76860981 
O       7.22136452       8.90659387       9.41609250       1.27446661      -1.49289162       1.67489045 
O       5.30067648       7.33147385       8.85041063      -0.88584314      -1.55644781       0.60906977 
O       8.51718531       6.94917420       3.06189582       0.51578012       1.48343608       1.51412005 
O       5.38520421       7.28027361       6.00756947       2.46914152       0.23773499       2.06847272 
O       7.42074827       8.65803937       1.64888825      -1.67275409       1.36640822      -1.07203493 
O       9.05065190       6.58727375       0.38059643       2.02825862       0.94625793       0.21239473 
O       6.82413874       5.31231778       9.46649107      -0.21206587       0.69469818       0.54612711 
O       3.05231366       9.31220898       9.88175526       0.42888026      -4.62151223      -1.91803153 
O       8.78868715      10.94762173       8.89728059       1.32448723      -0.35500536       0.98879076 
O       7.22483187       4.88037737       6.91641487      -0.63991986       2.92152057       1.61794963 
O       5.21966223      10.74156194       6.58453625       1.29619130       2.65474239      -2.45589307 
O       0.18365576       5.31057665       6.62615293      -1.06530476       1.45193053      -2.22139583 
O      10.75450207       9.04000387       4.19556933      -0.00549561      -0.64010584       2.73127267 
O       1.75326732       7.19588667       3.77728002      -0.77472822       3.65022124       2.45054237 
O       3.57084263       9.01322171       4.76151108      -0.22235031      -0.18349324      -2.17291970 
O       3.47402500       4.82248006       2.07463795       0.16137237       0.94130807      -3.12722527 
O       5.31613047       7.33990394       0.85782971       2.69315079      -0.62083160       2.15416874 
O       9.07523191      10.78622593       3.68499607      -0.85643190       7.19892525       2.76483947 
O       8.95919833       3.89836545       8.91721252      -1.86965348      -2.62887829      -1.37614101 
O       7.28835180       5.35992719       1.38087695      -1.98326800      -0.51234846       0.99731999 
O       9.05141082       3.32825466       0.64926673      -0.51478223       0.67140598       3.03077021 
O       9.46041704       3.40865614       3.45509941      -1.20069557       0.34753305      -2.20422926 
O       7.04607728       5.28283935       4.18176928      -1.16456427      -3.91388091      -0.51807439 
O       3.62534413       9.16910379       1.74611129       0.85762521      -0.99964188       0.97538328 
O       9.15199906       3.41604223       6.08544539      -0.62771225      -0.00542333       0.73428040 
O       7.20011152       1.71765812       6.90271218      -0.32382442      -0.12390242      -1.85279309 
O       1.91598243       3.56683996       8.78941952      -0.51623114       0.54765173       0.94313892 
O       7.18093501       9.34875896       7.09460347       3.48667468       0.43727702      -1.69686556 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01494941923945967 -0.0030233436920214986 0.007824639822630972 -0.0030233436920214986 0.004715955945123726 0.0006123171673233792 0.007824639822630972 0.0006123171673233792 -0.008319994335795517" pbc="T T T" energy=-1065.33004511 free_energy=-1065.33005997 config_type=crystal 
Hf       1.69455915       1.74728183       2.40011100      -0.05166732      -0.16727123      -0.04870669 
Hf       3.60420748       7.04887654       0.13645276      -2.72429810       1.72791249      -2.20391788 
Hf       5.25868301       5.16036913       2.65942724       1.25537078       2.63251710       0.67292405 
Hf       8.77097086       5.52829713       7.80443136      -0.29144039      -2.27365309      -1.89059920 
Hf      10.61465125       7.22356218       5.07485878       0.25053310       2.67482445       0.73719387 
Hf      10.78273491      10.80147778      10.52345169      -0.66605181      -0.13919066      -0.34909087 
Hf       7.12898111       3.27135544       5.03856670      -2.03779855       3.29641889       3.06453236 
Hf       7.06525762       7.22437314       5.20300764       1.53202622      -4.13168310      -3.19509310 
Hf       1.60293642       5.47206042       2.50530175       0.82207177      -0.37317338      -0.94656215 
Hf      10.75142858       3.88445276       5.38107400       3.19801213      -1.36928194      -1.28690895 
Hf      10.79937587       3.18071897      10.51581050       1.57226723       3.39721036      -0.07405389 
Hf       1.60727566       5.57243097       7.86261632       0.37472260      -2.10267712       1.02054925 
Hf       9.23806305       9.15016854       7.96400401      -0.12882409      -0.10185595      -2.01391931 
Hf       1.94470928       1.74878609       7.88285245       0.75061528      -0.86206503      -0.68408843 
Hf       7.21130209       7.44146168       0.00330541      -2.37363867      -3.51639262       0.77746801 
Hf       9.47161779       8.63022449       2.35404428      -4.51179282       2.54872107       3.63351307 
Hf       5.46812667       9.09580267       2.55235899       1.44628477      -5.01227880       0.01321849 
Hf       5.61774597       9.04756297       7.99482290      -0.17041897      -0.25425019      -0.75939696 
Hf       0.10821679       0.27403553       5.11616190      -2.50924401      -1.06431190       2.81940502 
Hf       3.54639366       3.57367431       5.00533045       0.71627876       0.10696643       2.23370331 
Hf      10.80415641       7.13858503      10.41850945       1.69077955      -2.58010164      -1.52154464 
Hf       1.85622523       8.98622909       7.82877698       0.50214461       0.28307639      -2.49758249 
Hf       7.05025447       3.70930762       0.01719687      -1.49192687       1.41467406      -0.08638687 
Hf       9.12284745       5.11998323       2.40548279      -7.05421258       1.97677136       2.79754740 
Hf       3.55329418       7.39984575       5.28953588       1.23230226      -1.29322060      -0.57435163 
Hf       3.39612598      10.70409713      10.39513851       0.23292676      -0.73329550       0.84337362 
Hf       7.70675048      10.68340749       5.11215615      -2.06053727      -2.63011106       2.02355424 
Hf       5.23185670       1.29065920       2.59441252      -0.86185881       2.55441922       2.07358857 
Hf       5.37355645       1.79813981       7.97679017       0.24852485       1.09223484      -1.89106072 
Hf       1.92260840       9.29764988       2.66596652      -3.44175624      -1.03293750       0.31265067 
Hf       3.84442030      10.85903688       5.36496894      -1.19110065       1.40126303      -0.01541526 
Hf       3.50453396       3.69477504      10.46045520      -2.94617830      -0.04617790      -1.25068999 
Hf       7.10950474       0.04174718      10.59158783      -1.42030671      -2.42053108       0.45687349 
Hf       8.73864890       1.63411096       2.64231360       3.26001961      -1.84711226       0.16461122 
Hf       5.31277497       5.58173623       8.01236925       1.57719171      -1.90960005      -1.47880476 
Hf       9.20435275       2.01842487       7.79571027       1.56582567      -2.64915248      -1.67107757 
O       0.07859933       9.38549202       1.48694162      -0.73570076      -2.51815856      -0.81353454 
O       5.27456823       7.35753872       3.53694197      -1.41670346      -0.38435873       1.04784077 
O      10.58357324       5.39544150       4.04351670       0.73188018      -0.95310877       0.11928568 
O      10.33451005       2.03934239       4.45629116      -0.05888802      -0.18424212      -1.58061810 
O       1.42072116       0.08898091       3.75173843       1.96861387       1.50831317      -3.44305963 
O       1.51004872       0.00639129       0.92330403       3.61199799       0.74404515      -0.47708948 
O       1.75564838       3.46525812       0.89399669      -1.75836462      -1.44833241       0.13220771 
O       0.46804525       1.60037721       9.48883599      -1.45212857       0.86468640       0.56345769 
O       1.95829396      10.68764746       8.81635298      -0.14167548       0.28192453       1.29501795 
O       2.10879258      10.94563288       6.35349899      -3.13402826      -0.80577361       0.00311278 
O       0.15700594       1.51577367       6.81132467      -0.38606023       1.74227192       1.42199956 
O       1.70670508       3.37554513       3.54688869       0.36715971       1.74196295      -0.13013105 
O       1.60414838       6.89833935       0.82797391      -1.00805353       0.38252886      -0.73257112 
O       1.09483878       7.34649014       8.68951053       1.69460343      -0.32826234       0.43829980 
O      10.73808154       1.59822567       1.65341918      -1.08572255       1.56493032      -0.73124550 
O       4.01493313       5.63965370       6.58831390      -2.13833759       0.42104961      -0.14109655 
O       3.77150538       1.60323388       6.71967655      -2.26427495       0.34599099       2.74044895 
O       4.90584109       3.53972989       9.10588396       3.56523641       0.54091356      -2.95947643 
O      10.66631306       5.24025677       1.49370644       4.42633223      -0.14289943      -2.14061841 
O       1.67598731       7.52626868       5.85249289      -0.01756290      -2.07511274       1.34650613 
O       0.00191883       8.80766261       6.93464882      -1.18212256       0.86625084      -0.42231242 
O       3.77009436       1.76097234       4.19638107      -0.52110728      -1.43625042      -0.38190246 
O       4.97064385      10.61182142       3.59819137       0.51909479       0.54439635       0.62827648 
O       5.23487464      10.36901137       1.06144223       1.49058785       3.21909704      -2.69287010 
O       3.53125586       1.26603482       1.67653800      -0.39614116       0.52161485      -1.44286590 
O       3.46498499       1.63675267       9.62127950      -0.30258055       0.59299963      -0.26671541 
O       5.31313838      10.91303813       8.85850876      -0.40372934      -1.14823657       0.65450473 
O      10.60444234       8.99942975       9.55691027      -0.26788842       0.58865511       1.34947951 
O       3.62542421       5.50150292       4.27436636      -0.94393208      -1.42460853      -2.15544152 
O       5.43049029       3.41150831       3.56028941      -0.93791013      -1.74440922      -0.67351556 
O       5.08986738       3.92463509       0.91235308       3.16569749      -1.79257408       0.61183578 
O       8.88881896       7.04471183       6.15343305       0.47233118       0.49561628       1.26439856 
O       3.54609916       5.78448555       9.05390741      -0.98624610       0.51669967       3.01179510 
O       5.36949112       3.11789715       6.27448439       0.64988455       1.32645366      -1.28281461 
O       0.33069010       5.26243062       9.54942331      -0.88973304       0.44706375       1.07326317 
O       9.27656506      10.76210203       6.17543678       1.99513777      -0.00705714      -0.02464377 
O       1.66917804       3.77082688       6.07710949       1.69680223       0.09720587       1.14643270 
O       7.04811444       1.43263998       1.66557227      -1.33452744      -0.02681746      -1.24772919 
O       8.91767137       0.00825250       0.67841867       0.78545842       0.05079098       0.63338189 
O       7.14771346       8.90140993       4.26931525      -0.38592106       3.10046578      -0.20256864 
O       7.02965150       1.39969408       4.33621556       0.49104247       0.33388549      -2.41418031 
O       3.75945543       8.83935218       6.91435200      -0.85678375       0.23963037      -0.34596093 
O       8.80791339       7.04786519       8.96856249       1.31623116       3.24805246       0.92016304 
O       6.87670278       1.66868820       9.62337192       1.01560024       3.43509585      -0.39606561 
O       7.15548379       9.05263077       9.72712063       0.30735015       3.97413614      -1.59205174 
O       5.70027620       7.18185685       9.04735718       0.61532090       1.13261914      -0.13918197 
O       8.82737015       7.10024802       3.68371400       2.27946204      -0.59147371      -2.07727160 
O       5.77503370       7.55192205       6.48962236      -2.50261187      -0.00529351       1.51754464 
O       7.29696355       8.81983560       1.73295046       0.72796821       0.39277312      -0.90437421 
O       8.90069461       7.12571590       0.97652343       3.92801437      -0.61456987       0.23395782 
O       7.33848898       5.24728691       9.38385421      -1.18147794      -1.93777280       1.44429356 
O       3.74299918       8.77299684       9.51519187      -1.09535224       0.76607423      -0.13073435 
O       9.25728173       0.03481948       8.63250434       0.12854978       1.95645443       1.93132562 
O       7.10074082       5.12011821       6.72248398      -0.07820699       0.81348468       1.59663166 
O       5.58170106      10.80190200       6.11513166       1.47349648      -0.25497372       1.14140369 
O      10.72411253       5.43565539       6.96773009       0.56857107       0.15874233      -1.63954576 
O      10.69385393       9.08792454       3.98282735       1.24469997      -3.25697444       1.60229682 
O       1.65867486       7.24615597       3.31162821      -0.62214623      -0.18121626       0.00907964 
O       2.97883232       9.17354371       4.29250932       2.32621738      -0.19096066       1.01832177 
O       3.38744642       5.33460864       1.49258604      -0.53101660       0.54388775       0.35458737 
O       5.26983041       7.08624680       0.93515430       3.23011564       0.47611879       1.41525113 
O       9.18491242      10.63811889       3.55644788      -2.15267207       2.58825916      -1.29774909 
O       9.52266114       3.70103124       8.79363689      -0.48587534      -1.21158307       0.31716084 
O       7.07059308       5.19219663       1.59149314       1.55794246      -0.07887891      -1.11268866 
O       8.92125289       3.41588250       0.70119768       0.21864939      -0.45859724       0.78225181 
O       8.16530159       3.46620921       3.18399709       2.04507664      -0.31139186       0.91250396 
O       6.66380918       5.32075960       4.23620432       0.74606557       0.78514623       0.71889648 
O       3.28614231       8.97723574       1.35010121       1.07715942      -0.39353028       0.34571455 
O       9.06956984       3.56071928       6.10612145      -1.36141889       0.61958516       0.90843816 
O       7.60810770       1.97911605       6.80210476      -2.97277162      -1.17590838       0.83236363 
O       2.13237954       3.81862878       8.77148361      -0.43285284      -2.42173789      -1.02377112 
O       7.43563671       9.47310825       7.09789165      -0.32959482      -1.02625529       0.35157076 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009275190797990704 0.009000850232603769 0.010540947571415219 0.009000850232603769 -0.008218896318325307 0.005332222396138962 0.010540947571415219 0.005332222396138962 -0.005958831489647463" pbc="T T T" energy=-1063.28752591 free_energy=-1063.28752778 config_type=crystal 
Hf       1.66972091       1.78631740       2.29862945       2.15722570       2.04892851      -0.55708332 
Hf       3.62002751       7.16699219       0.12203856      -2.22291794      -0.77983825       0.02889166 
Hf       5.24453914       5.21815677       2.65270355       0.61889634      -1.10703504      -1.30531547 
Hf       8.74022405       5.53398615       7.88497166       0.66133387      -1.82819598       0.87457534 
Hf      10.58321224       7.27493070       5.15040992       2.29070578      -1.14246814       2.05767767 
Hf      10.77480102      10.86315250      10.60324880       1.26734440      -1.38415365      -0.47224094 
Hf       7.02988639       3.32305943       4.99694470      -0.13153867       0.07560915       0.81895222 
Hf       7.21694213       7.15528132       5.30837674      -1.39194329      -1.07595635       0.27761651 
Hf       1.57347695       5.41511859       2.48215179       0.17648203       0.62421716      -1.62034778 
Hf      10.75234867       3.87882565       5.50478886       1.28733897      -1.41936722      -0.57154986 
Hf      10.72714351       3.14499649       0.05223208      -0.05645373       3.61560017      -1.24282708 
Hf       1.56597066       5.45069359       7.67602890       0.43805954      -0.31488947       3.73888383 
Hf       9.25639145       9.20806113       7.81952805       0.98115324       0.14944175       4.49382305 
Hf       1.89737871       1.69129196       7.94946503      -3.06356548       1.80211562       3.13881058 
Hf       7.24548985       7.46068607      10.61944464       1.04560387       0.39500992       1.34577023 
Hf       9.31793645       8.62976840       2.32837152      -0.18739183       0.84269153       3.75987764 
Hf       5.40554940       9.02486235       2.53068688      -0.44916757      -2.25468681      -0.27800677 
Hf       5.54212317       9.08573608       7.94320369      -0.71638113       0.22828758       0.25645797 
Hf       0.11044316       0.26894066       5.19807865      -4.31420457      -0.16881987      -2.46069309 
Hf       3.53650433       3.61085931       4.93163088      -0.77419287      -1.37271407       0.25148045 
Hf      10.84460925       7.08833654      10.35233935       1.61214639      -0.46387559       0.48126582 
Hf       1.97862709       8.89174202       7.78076653      -3.17096326       0.33475554      -0.00428858 
Hf       7.05109239       3.74124370       0.00159637       1.81501166      -1.64207110       0.88419317 
Hf       9.00885465       5.14085561       2.50330509       0.76436561       2.94949650      -0.97101684 
Hf       3.44077409       7.43805174       5.36111050      -0.37414939      -1.05240450      -0.35577403 
Hf       3.40729529      10.73070235      10.30041350       0.90501428       1.21066891       0.97839088 
Hf       7.62461083      10.63983602       5.05109988      -0.69547837       2.30289614       1.82485117 
Hf       5.19300278       1.19782419       2.57381809      -0.46553190       2.83909145      -0.96721605 
Hf       5.51571910       1.81736090       7.90209200       0.04883322       0.31900946      -0.19115839 
Hf       1.78115439       9.26470355       2.63968887      -1.18880639      -0.63903298       1.32022107 
Hf       3.91181285      10.79660433       5.42378302      -0.30412649       0.35331749       0.48644394 
Hf       3.58284295       3.72871420      10.37437114      -1.40580646      -0.48394073      -0.38228112 
Hf       7.17592527       0.16656089      10.56756810      -0.05016707       3.73373943       0.74116551 
Hf       8.92748762       1.64539509       2.67349324      -2.04687734       0.10462476      -2.46684578 
Hf       5.40600056       5.66051020       7.88590414      -3.70168201      -0.96972639       1.64275761 
Hf       9.28750134       1.93627524       7.83911709      -4.41224087      -0.10597641       1.87738880 
O       0.16249260       8.80032943       1.39323773      -0.88068509       1.55927782       1.43462715 
O       4.90950466       7.65298808       4.06513949       3.56840417      -1.04943918      -3.41988598 
O      10.62007666       5.27794256       4.12775164       0.06410535      -0.66045677      -0.96711441 
O      10.48987764       2.13923328       4.49880057      -0.54651434      -0.30817808      -0.92213079 
O       1.49754003       0.27092063       3.42747485      -1.56356550      -3.49384422       2.34998800 
O       1.87523575       0.16496000       0.90561790      -3.98709801      -2.81104629      -0.00037624 
O       1.52197947       3.18426236       0.90746129       2.86408347       2.57867342      -0.95526380 
O       0.43279301       1.56746342       9.73980677      -0.18036760      -0.00180336      -1.00823071 
O       1.98622847      10.64310727       8.81880466      -0.39325154       0.37880512      -0.51089134 
O       1.57574878      10.55178945       5.93938476       4.77385265      -0.34557224       2.98105789 
O      10.88931072       1.71114106       6.90065047       2.99371101      -0.23936103      -1.43043511 
O       1.85770867       3.61041548       3.43885936      -0.20373296      -1.62135706       0.62421535 
O       1.63798839       6.94665783       0.77645695       1.55585305      -0.42747662       0.23777062 
O       1.44370751       7.34999223       8.80304473       0.01796170      -1.58033793      -0.36732843 
O      10.65974362       1.74433686       1.84592291       3.39689769       0.50796158      -1.26479094 
O       3.22497047       5.88457782       6.67819549       3.36490384      -1.95065753       0.71299803 
O       3.52382846       1.19286835       7.23409687       4.03903313      -0.56602280      -3.66248366 
O       5.22972050       3.67835013       8.66304071      -1.45502636      -0.93968755       1.18943407 
O      10.68847705       5.32760074       1.12430883      -0.55009197      -2.04263595       4.19969136 
O       1.56217222       7.32403319       6.04184098      -0.28166219       1.08538689       0.31497366 
O      10.89580620       8.73066023       7.01459973       0.75076399      -0.55632152      -0.85967024 
O       3.82960100       1.54409504       4.29767693      -0.85072618       0.46378961       0.47964528 
O       5.42732456      10.56419887       3.83349585       0.02042604       0.21194671      -0.81417038 
O       5.31402023      10.63851429       0.77156517       0.00205516      -1.59828101       2.56999650 
O       3.57801574       1.40980000       1.33847202       2.28546824       1.43475940       2.88448136 
O       3.32493126       1.90534887       9.61663579       0.92987902      -1.76118969      -0.47960162 
O       5.04204520      10.80078065       9.00017813       2.01141111       1.18520421      -1.62744365 
O      10.73786473       9.11502070       9.68111152      -1.11524940      -0.48592143      -1.16610933 
O       3.54763234       5.20918654       3.78672591       1.61573364       1.44979887       1.92442646 
O       5.33074260       3.31803008       3.47374342       0.74069669       0.91386637       0.67528623 
O       5.40140058       3.67363346       1.03491586      -2.25788182       0.85264428      -0.91146593 
O       8.85742728       7.12669032       6.65562183      -0.93757653       0.83167601      -2.79522694 
O       3.59773292       5.52945014       9.39181661       0.42724367       0.49162603       0.34801976 
O       5.22593969       3.37903276       6.15655404      -0.09411783      -0.47402515      -0.95809933 
O       0.33160865       5.32916285       9.58500453      -1.03886026      -0.15651790      -2.48681712 
O       9.29059444      10.44768247       6.23472396      -0.06204230       2.26275600      -2.33103905 
O       1.84805457       3.61146254       6.26861537      -0.53780121       0.01502766      -1.18547689 
O       6.87890800       1.38841959       1.53935460       0.79844906       0.76178420       0.99801722 
O       9.08414428       0.31559613       0.88184328      -1.98338111      -1.73228405      -0.92053470 
O       7.43792662       8.91581696       4.38816245      -0.70529046      -2.53549803       0.19564920 
O       7.28580475       1.45370913       4.04372982      -1.09493395       0.76481073       2.47443386 
O       3.71068468       9.01983727       6.77617266       0.60971318       0.73324923      -0.05200691 
O       8.81547774       7.30261038       9.22542524       0.52385388      -1.55907969      -0.41776475 
O       7.15726962       2.08787254       9.46317089      -1.09581633      -3.07657896      -0.04979178 
O       7.39039664       9.43176052       9.79433715      -0.17544029      -3.72970257      -0.00118258 
O       5.86087780       7.20526851       9.10984359      -0.26515169       1.08652137       0.20972635 
O       8.98180199       7.01661923       3.68394752      -0.04636402       0.41447761       1.31380726 
O       5.34639565       7.27500422       6.52102532       1.68776573       0.24532641      -0.30963902 
O       7.33551618       8.77019594       1.92749942      -0.37343258       1.04271329      -1.69245211 
O       8.99524083       6.95821005       1.34153764       0.56824978       2.14861120      -3.49170932 
O       7.16476199       4.99362428       9.18797566       1.34987447       2.40501575       0.80529544 
O       3.54707008       8.67027634       9.41782173       0.69686710       0.89087607      -0.30209089 
O       9.56459238       0.21506025       8.84621547      -1.83544980      -0.66455942      -0.75478532 
O       6.95159887       5.28837421       6.92519613       2.83886104       0.78580325      -2.97440042 
O       5.81386177      10.72556037       6.37676991      -1.83243208       0.35669500      -0.62003608 
O      10.81714815       5.66571791       6.69884041      -0.95844181      -1.77386720       0.67962802 
O      10.92259724       8.83094707       4.13913168      -0.43048700       3.24808196      -1.75089164 
O       1.62765371       7.01530297       3.60667341       0.45201497       0.81477756      -0.93704514 
O       3.23760986       9.25408094       4.30261899      -1.71864033       1.13819974      -1.43538861 
O       3.42249017       5.33969913       1.41695922       1.35129569      -0.33398188      -0.43753219 
O       5.46536916       7.45962804       1.17543475      -1.37005507      -1.88927965      -1.07467549 
O       9.00758080      10.77506308       3.31768961       0.56849363      -2.51273702       2.29770751 
O       9.48000144       3.48434501       9.02377143      -0.20345959       0.77412880      -1.63435894 
O       7.22701420       5.44726218       1.50411872      -1.12528686      -0.91570724      -0.57836467 
O       8.85327890       3.03149836       0.82062109      -1.05370941       1.62266027       0.73255873 
O       8.32806130       3.46782007       3.23275774      -0.28653744       0.82493811       2.16662525 
O       7.00187015       5.40246298       4.24469965      -1.28249448       0.08354136       0.12131399 
O       3.29367106       8.79170969       1.45825990       1.52749070       1.24802149       0.90068806 
O       8.88506062       3.90428235       6.30531561       0.49739683      -0.73788147      -0.47596359 
O       7.33681446       1.83317107       6.92139955       0.58518531       0.32080489      -1.01333141 
O       1.73754677       3.49918710       8.78519725       0.87014100       1.76613489      -0.70460092 
O       7.35973934       9.15763209       7.32276601      -0.51238702      -0.98620222      -1.61941492 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01718310168965861 0.003835093996648088 -0.0058791940150123055 0.003835093996648088 -0.003939110400230851 0.00872173880743723 -0.0058791940150123055 0.00872173880743723 -0.008232670654883145" pbc="T T T" energy=-1061.30323116 free_energy=-1061.30323386 config_type=crystal 
Hf       1.68979932       1.81936629       2.23833943       5.93466420       0.53642606       2.35526558 
Hf       3.60499489       7.22825058       0.11317036      -1.16014647      -0.61238471      -0.41088905 
Hf       5.25482464       5.24260125       2.63755574       0.16946036       0.38612845      -2.27418821 
Hf       8.72978484       5.51277270       7.93771966       3.31271108       0.20927928       0.34627798 
Hf      10.59316401       7.30659014       5.21965913       2.89736691       0.81957756       0.75249246 
Hf      10.78202507      10.89002395       0.01947158       1.83686108      -3.99781068      -2.56687807 
Hf       6.96417154       3.36700964       4.99717174       1.51039084       0.55281008      -0.58565214 
Hf       7.29596271       7.09160680       5.35725462      -3.94702941      -1.29026439       1.02245405 
Hf       1.56160261       5.38690897       2.44653773       1.61288697       0.90773869      -0.14727348 
Hf      10.77740088       3.85612931       5.56433029       0.11437390      -2.66162553      -2.37997321 
Hf      10.69270650       3.17728919       0.12924258       0.90763286       5.30718774      -1.44641030 
Hf       1.54761684       5.37092351       7.62100884      -1.07864016      -0.27110092       4.27220003 
Hf       9.27374389       9.24487494       7.78238225      -0.21773755      -1.69559751       3.19514122 
Hf       1.84760724       1.67515465       8.01792758       2.86501828      -0.38521964       0.68671988 
Hf       7.26725537       7.47464237       0.00161858       1.18466991       0.33791969      -0.57161514 
Hf       9.21133095       8.64453292       2.37574221       2.80745288       1.02469273       3.92861321 
Hf       5.36640865       8.95279039       2.50959204      -1.04926678      -1.45106872       1.57637398 
Hf       5.48998970       9.11146855       7.91737352       0.44343422      -0.47988044      -0.09975418 
Hf       0.07345472       0.24866406       5.22871270       1.80514880      -0.64730019      -3.13373573 
Hf       3.52493501       3.60591421       4.89904821      -2.97092147      -0.24398876      -1.55117876 
Hf      10.88613589       7.04951812      10.32056789       1.18814213       0.18161009       0.20039454 
Hf       2.00853686       8.84588054       7.74394162      -3.45000319       2.16267428       0.08656164 
Hf       7.06527942       3.73420217       0.00740055      -0.58070069      -0.23964725      -0.02994606 
Hf       8.92850893       5.19712574       2.55518439       2.18596410       1.46972623       0.47621530 
Hf       3.37969636       7.44692632       5.38626499       1.03097232      -0.84946973      -2.24334278 
Hf       3.43135029      10.76158074      10.26251941      -0.08321805       1.15904636      -0.00811295 
Hf       7.56150252      10.64028248       5.04714292      -1.56778768      -0.94472494      -0.69993963 
Hf       5.17871955       1.18389068       2.56926898       0.41037107       2.64705660      -0.78899243 
Hf       5.59991223       1.82217102       7.84561406      -3.77691089      -0.23703847       1.15458103 
Hf       1.68074079       9.23662606       2.64774544      -0.23219327      -2.30237410      -0.11852223 
Hf       3.95131021      10.77685045       5.46789146      -1.56164262      -0.24840167      -0.48551394 
Hf       3.60694593       3.73580186      10.31578803      -1.34589472      -2.44398726       2.24795219 
Hf       7.19388347       0.27249435      10.55566830       0.03372140      -1.09435497       1.31246449 
Hf       9.01028770       1.64406525       2.66222118      -1.17880449       0.21306927       0.99180172 
Hf       5.42616793       5.69111721       7.82414954      -0.88830409      -1.10655560       1.86634169 
Hf       9.28386482       1.87488932       7.87180743      -1.67453255       2.41443899       0.13560626 
O       0.10223296       8.63369371       1.48410378      -0.67138497       2.24718082      -0.52230815 
O       5.02424992       7.57073207       4.07803183       1.05896948      -0.16731250      -1.71452880 
O      10.69355329       5.00758672       4.01686970      -0.08234148       1.21822660      -0.22879546 
O      10.46443090       2.15360394       4.26275301       0.36285356      -1.81171769       1.34437990 
O       1.38468293       0.04616475       3.36443234      -1.35639587       3.39689206       1.04393636 
O       1.66075255      10.82144082       0.85088738       0.86785841       0.25582497       0.45868226 
O       1.73408413       3.35081810       0.72247853      -0.12115475       0.44078259       0.72299879 
O       0.31287170       1.64664057       9.76682781       0.69694954      -1.10005726      -1.19043130 
O       1.97559129      10.63396284       8.76236053      -0.79134396       1.28766368       0.86074403 
O       1.55832688      10.33955945       6.09057984       0.95797490       1.99130379       0.05205969 
O       0.17229373       1.85058486       6.92476480      -3.22459570      -1.11368877      -1.40111227 
O       1.93454858       3.69741456       3.52432407      -0.68305787      -3.05591408      -1.35627695 
O       1.83407066       6.92407828       0.81927482      -1.85867011      -0.37758844       0.00014856 
O       1.77177846       7.25539287       8.71937101      -1.64214819      -3.15641979       1.88294119 
O      10.90071033       1.93076788       1.75648487      -4.01099558      -0.45862861      -1.44075359 
O       3.20877126       5.77885483       6.88068772       5.19343894      -0.77372425      -1.63316007 
O       3.74618475       0.97387555       7.19132163      -1.20927673       2.34252132      -1.35300345 
O       5.23715107       3.83634529       8.65235708      -0.56282330      -3.57779777       0.25169461 
O      10.74799464       5.10524401       1.41198421      -0.89077983      -0.99944312       0.32056001 
O       1.57554763       7.25721003       6.24571020       0.14728134       0.79075926      -1.74526567 
O      10.89418033       8.67360094       6.98361194      -0.60690231      -0.46173454      -0.84607593 
O       3.68426363       1.48029145       4.43667172       0.26222633       1.49550988      -1.70102153 
O       5.74908135      10.55826192       3.78540706      -1.76676586       0.23928920      -0.55160079 
O       5.41731373      10.63287031       0.88220158      -0.87571657      -0.13328453       0.92526258 
O       3.60271626       1.70145234       1.34529478       0.40948542      -1.88426440       2.40617007 
O       3.33706164       1.81328472       9.57984861       0.51864202      -1.43085759      -0.68202156 
O       5.10461141      10.87277483       8.93250382       2.38368597       0.61422206       0.81784827 
O      10.66130233       8.95515250       9.53164960       0.14597142       2.18737657       0.44317825 
O       3.66966531       5.26173152       3.65176727      -0.70456323       0.91417811       4.36380432 
O       5.32650646       3.40679110       3.46168110       1.39982715      -1.51142342       0.36930438 
O       5.26597620       3.57588425       0.91595174       2.42750685       0.58932540      -1.33831586 
O       8.72211729       7.32087973       6.59421948       5.72854247      -1.58346059      -0.33987485 
O       3.65176846       5.49034040       9.72574694       0.57590734       3.30183033      -4.22998482 
O       5.11163881       3.48769371       5.93529759       3.31250288      -0.50495331       2.74921049 
O       0.11537862       5.23911275       9.32790241      -0.81661242       2.19919688       0.79609979 
O       9.35168936      10.50492811       5.95890247      -1.01904954       0.62192741       2.59016580 
O       1.89676692       3.53975903       6.25867598      -0.32594532       0.55542909      -1.57687540 
O       6.91010686       1.50225330       1.61807797       0.48113608      -0.22611775      -0.74454898 
O       9.18322618       0.26835626       0.97103695      -2.79137698      -0.34133622      -0.12529070 
O       7.48127327       8.67351264       4.47544174       0.37860980       5.32867373      -1.98719460 
O       7.38030376       1.45476200       4.08115304      -1.18115595       2.14841786       2.15932917 
O       3.71313839       9.18125728       6.74777388       0.67588274      -1.85364539      -0.72069953 
O       8.97835567       7.27443812       9.26255075      -0.97089088      -1.78683807      -0.80211987 
O       7.21292467       1.99334954       9.36787585      -0.92287826      -1.15455042       1.08017595 
O       7.51129775       9.31263944       9.81116956      -0.74777317       1.15769688       0.46408519 
O       5.84997943       7.30242917       9.01594009      -0.11918355       0.59600541       1.66444696 
O       9.16759460       7.01643111       3.74218424      -0.74337254      -0.55718912      -0.33337419 
O       5.13272385       7.17546950       6.62134745       0.94852749       2.21051779      -2.07902441 
O       7.40054277       8.91904536       1.76346929      -1.89442816      -0.85491338      -1.33048605 
O       9.37849092       7.08453383       1.18792755      -3.14490307      -0.98055108      -1.53517304 
O       7.20411988       5.18154017       9.12543218       0.09991202      -0.54374597       3.10840646 
O       3.47449370       8.81828730       9.26495885       2.57073801       0.31760204       2.14848540 
O       9.50170615       0.31115413       8.96758781      -1.82014877      -1.98557181      -1.55899015 
O       7.17838588       5.54227589       6.78657781      -3.38925830      -0.44642584      -0.22725256 
O       5.70607532      10.73983976       6.44859836       1.75045909      -0.52773595      -1.08668767 
O      10.78787218       5.53996155       6.60130180      -0.51402044       0.81682470       0.68238698 
O       0.05042861       8.94174564       4.06278464      -1.54979901       0.40691114       1.14465289 
O       1.66674242       7.02751519       3.63254259       0.00975771      -0.29935103      -0.16756888 
O       3.14674726       9.30224899       4.02441671       1.79012131       0.22784086       3.18259692 
O       3.60727461       5.28339383       1.33311384      -0.13769798       0.24829237       1.53134191 
O       5.34317601       7.41489831       1.21522367       2.09024778      -1.93147780      -1.52947013 
O       8.93038822      10.71902994       3.40181560       0.58084822      -1.03881027       0.48814154 
O       9.45942651       3.50059790       8.98846274      -1.09040243      -0.96338483      -0.37231531 
O       7.24713138       5.43343121       1.36999562      -0.12326923      -0.35378168      -0.51671170 
O       8.75272616       3.00819703       1.04815577       0.31351708       2.05644750      -1.77312609 
O       8.54755172       3.51790334       3.48254902      -1.49913695       0.47726364       0.69781206 
O       6.99866289       5.52175980       4.25942900      -0.69745482      -3.12805690      -2.27062949 
O       3.49537584       8.85095809       1.65944890      -0.14235934       1.03122434      -1.67457070 
O       8.82596099       4.02901345       6.39058357       1.00350581      -3.03835065      -1.10797196 
O       7.23679034       1.75773758       6.89824587       3.21208505       0.64148448      -2.12657024 
O       1.63312448       3.46297270       8.67753930       1.35898374       2.01510211       0.31115273 
O       7.38350422       8.81715894       7.26086994      -2.39573082       2.63495887      -0.22969121 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011683185946536565 0.004645137910128716 0.01237394743040305 0.004645137910128716 -0.01374780338449937 0.0011891727199518504 0.01237394743040305 0.0011891727199518504 -0.024467186108624063" pbc="T T T" energy=-1063.78488492 free_energy=-1063.78489291 config_type=crystal 
Hf       1.68961635       1.90245725       2.34439548      -0.56665071      -1.26821641       0.66101063 
Hf       3.76667291       7.19739345      10.58687345      -0.20702658      -2.04019872       2.27785882 
Hf       5.35318300       5.38349628       2.98459610       3.56712752       0.41212592      -5.70113910 
Hf       9.03093450       5.40838525       7.95133552       0.86695200      -3.41479511      -1.20789506 
Hf       0.04101576       7.21206495       5.24833139      -0.37402554      -0.63850733      -0.76179137 
Hf      10.82107138      10.76991530       0.00640397      -1.51124420      -0.24682942      -2.11249309 
Hf       7.25555929       3.25259559       5.42667804       2.73672182       1.77045836      -1.43389371 
Hf       7.15241917       7.25805046       5.12173926       1.41189999       2.89109923      -2.47910629 
Hf       1.81569756       5.38030557       2.23267821       1.26310040       0.77425665       1.52362660 
Hf      10.86995366       3.91508530       5.00264493       1.66503534      -7.82656933       6.39903396 
Hf      10.63274881       3.50805500      10.57930517      -0.88815795       0.36341218      -0.57888900 
Hf       1.99415272       5.42490854       7.51826467      -1.80653824      -0.59987009      -0.02553018 
Hf       9.13854521       8.97955940       8.04788170      -0.13520435       2.26667006       2.08824612 
Hf       1.64000408       1.59219198       7.91520999      -0.85701352       0.61481074       4.34952624 
Hf       7.23110889       7.27131566      10.23117056       1.98269915      -2.19394640       1.66822853 
Hf       9.29965680       9.02878022       2.45425087      -3.31788401       0.49964595      -1.48219453 
Hf       5.50015380       9.33991528       2.48456191      -1.81350294      -1.95035271       0.68950157 
Hf       5.47772840       9.08207448       7.91005493      -0.61904692       5.57713918      -2.23275651 
Hf      10.60257040      10.90145139       4.88294698      -0.09189316       1.07857884      -0.02664038 
Hf       3.82873427       3.44496969       5.01529801      -1.97901370      -2.92082275       3.30463218 
Hf       0.05631077       7.17849741      10.52598299      -0.55999320      -1.19046844       1.20347480 
Hf       1.62776776       8.88230222       7.87578714       0.31374753      -2.02597977      -1.36160573 
Hf       6.95409322       3.79608122       0.31598773       0.04693842      -0.16285856      -1.82645303 
Hf       9.08769293       5.43377983       2.51672750      -2.82136105       1.81297921      -0.11060183 
Hf       3.76616565       7.02959935       5.05010564      -1.04241709       2.78206976       1.25905944 
Hf       3.23227155      10.80341907      10.49476827       3.02317301       0.09208599       1.30878044 
Hf       7.23659511      10.75509895       5.56095250       0.47773303       0.05669519      -2.02339314 
Hf       5.35146587       1.65191763       2.73655616      -0.56207365      -2.06820642      -2.32203697 
Hf       5.26946459       1.60947201       8.13036391       0.17370144      -0.56284605       0.10075458 
Hf       1.87244011       9.14959345       2.61216890      -3.05100422      -3.92308728       1.94435833 
Hf       3.42802481      10.56876511       5.46410700       1.17494652       1.83775851       1.44020832 
Hf       3.42894610       3.56566800      10.10052644       1.82423487      -0.41706348       0.60721749 
Hf       7.16562609      10.90189073      10.57719223      -0.79237205       0.42901733       1.96034143 
Hf       8.91988339       1.93270118       2.63226228      -0.26846801      -0.14172743       1.70444361 
Hf       5.41998097       5.30126405       7.82025412       2.95117589       0.47074009       0.64227957 
Hf       9.16910543       1.77398785       7.73014422      -1.54719969       0.43498378       1.03091905 
O       0.16549728       8.91585530       1.38196951      -0.42794256       1.11454640       0.38883606 
O       5.05849476       7.38814486       3.47883524      -0.00955845      -0.74636214       0.18818087 
O      10.56999799       5.40403604       4.21027243      -1.58503883       7.71367446      -5.45344251 
O      10.43632613       2.00875488       4.41961877      -0.08459888      -2.62717903      -0.82699168 
O       1.15029356      10.75060162       3.42499287       0.36069480       3.55270707       0.64108223 
O       1.48949110       0.39898147       0.92908302       1.60127460      -1.32477614      -0.30391974 
O       1.88354489       3.80297967       0.66217575      -2.01831161      -0.41265115       1.69760301 
O       0.39814728       1.72310764       9.75272494      -1.08401680       0.38666805      -0.25311308 
O       1.90439317      10.55625807       8.75585856      -0.64094767       3.32710409       1.11548137 
O       1.62669177      10.07847644       6.11605404      -2.62032237       1.70846857      -0.35387829 
O      10.93133136       1.60341509       7.01716897       1.45854749      -0.04182361      -1.85332594 
O       1.37608302       3.48348485       3.50549947       1.73810728       1.37230380      -0.84855478 
O       1.91397836       7.06817838       1.10154492      -1.79434562       0.82657687      -2.74039671 
O       1.25496236       7.10587447       8.92527759       3.29574045      -1.73870565      -2.18451801 
O      10.64531720       2.09651650       1.66760475       1.72383630       0.68061422      -0.88283196 
O       3.88478878       5.57403065       6.60662544      -0.43430357      -0.89857651      -0.03005799 
O       3.17546611       1.71010331       6.93977667       4.27130855      -0.79237952      -3.32990651 
O       4.94207587       3.55031875       8.55349281       0.04999736      -0.11181483       0.41693766 
O      10.86713161       5.22838123       1.55837020      -0.25104883       0.77149953      -1.57833535 
O       2.06763856       7.15863495       6.19912329      -1.99972754       0.26582256       0.82279129 
O      10.54764709       8.35739084       6.88151519       2.82614419       1.13295271       0.56982170 
O       3.80259752       1.49125699       4.25475554      -1.76545551       2.75983532       0.76266733 
O       5.31438321      10.87367979       3.65734058       0.72587454       0.36122559       1.83066057 
O       5.10571337      10.81889410       1.13760338       1.38501881       1.68038586      -1.50405778 
O       3.53659538       1.80675100       1.65240634       0.31326392       0.78358628       0.11051192 
O       3.54334800       1.58414086       9.42444264      -1.00926957       1.29669955       0.76842990 
O       5.12744383      10.72577401       9.27269847       1.34920978      -1.27114506      -1.99273783 
O       0.10262507       8.86732537       9.57505259      -1.99125385       4.33212471      -1.42343782 
O       3.75082933       5.21236696       4.09997902      -1.10910427      -0.52385669       0.51755836 
O       5.88306600       3.40613056       3.62602808      -2.48766530       0.88205459      -0.18396333 
O       5.07772276       3.99894515       0.82552573       0.41367091      -1.37883547       0.17901840 
O       8.96108189       7.02625777       5.64071177       0.65045751      -1.03835817       2.23473784 
O       3.72550278       5.52408784       9.40159592      -0.25960914       1.16457475      -1.00269584 
O       5.46499939       3.19145826       6.11386149      -3.90256610       0.58825612       0.57905601 
O      10.60366534       5.39186152       9.35609817      -0.27297417      -1.84065038       2.16958470 
O       9.17476990       0.00076823       6.52964289      -0.75234140      -1.43697780      -2.47412202 
O       1.93283879       3.96624971       6.02959924       0.45502806      -0.20031984      -1.25629767 
O       7.22671893       1.92369513       1.53333880      -1.74687494      -0.79081869       1.31819330 
O       9.11059196       0.02611100       0.88247358      -0.00582641      -0.03036212       0.96326588 
O       7.03933353       9.11369119       3.98461897       0.26401397      -0.33824145       4.69394520 
O       7.47421267       1.51875501       4.38566326      -0.72284979      -0.65095453       0.03140040 
O       3.60849478       9.07318116       6.92170248       0.87761825      -0.03319585       1.43017749 
O       8.87501889       7.07931472       8.90264919       0.56935840       2.14795492      -1.53129553 
O       6.33314319       1.83372007       9.97925943       1.11311249      -0.02501271      -2.16726480 
O       7.47677134       9.10416999       9.49885871      -1.50453416       1.66149795       0.43037938 
O       5.63122755       7.43385362       8.50256130       0.04339556      -7.04239396       4.29453461 
O       8.73714881       7.33533354       3.19241345      -0.13406745      -1.95330204       0.09014823 
O       5.49517912       7.47025284       6.22469050      -0.67507154      -0.47614182      -1.54650228 
O       7.18598244       9.73232403       1.83821806       3.32469169       0.64904954      -3.91074799 
O       8.89955968       7.69181395       0.78942986       1.34198743      -0.81570540      -1.48584403 
O       7.09611092       5.34328305       9.28721003      -0.30988349      -0.34372395       1.82326556 
O       3.31721451       8.91474656       9.85867056      -0.22706235      -0.61309415      -2.30025176 
O       9.04877152       0.04077637       9.06676680       0.46193307       0.05830211      -0.45924284 
O       7.32869650       4.76048312       6.95972114      -2.53095855       2.44220597      -0.12840612 
O       5.42538195      10.83802765       6.59545308       0.56751322       0.57494906      -1.19434115 
O      10.92391590       5.43970670       6.59103844       0.18214594       0.39809699       1.86945452 
O      10.43935163       8.84509280       4.03924937       2.47306077       0.68943810       2.79486578 
O       1.64317014       7.02983468       3.64029028       0.40733691       0.22174117       0.03134352 
O       3.25450434       9.20629448       4.18521392       0.51768044      -2.25243212      -0.52060871 
O       3.70674041       5.71213717       1.60871764       0.24055908       0.48661177       0.53320728 
O       5.65194074       7.50507912       0.62161432      -3.54490485       1.64717104       0.96195715 
O       9.07630548      10.88997805       3.54815460       1.16124085      -0.03690048       0.09304427 
O       9.03858989       3.29107810       9.10523931       0.70464715       0.52799245       0.56150975 
O       7.09922407       5.70092305       1.49045461       0.52285933      -1.98745937      -0.11055429 
O       8.77980194       3.69487988       1.14142631       2.22945727       0.75364036      -1.16964320 
O       8.67173119       3.85226655       3.54417851       0.23793447      -2.54265194       1.81534003 
O       7.03875780       5.62762094       4.12440106      -1.53544777      -1.29455699       0.53796074 
O       3.32977809       9.40423752       1.56352569       2.15294301      -0.14968542      -1.20502450 
O       9.06570336       3.41169205       6.37549146       2.67805186      -0.03419891      -0.79626239 
O       7.24875200       1.84140954       6.96324008      -0.74493842      -2.17253787       1.33737213 
O       1.94171873       3.65399615       8.62129914      -0.02117934      -0.06014431      -0.07376520 
O       7.56315468       9.03825124       6.98089389      -3.20541589       0.49513294      -2.07154567 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017911094075053428 -0.0021752101202549266 0.0005392926527467153 -0.0021752101202549266 -0.003902960022520883 0.00010039652177653347 0.0005392926527467153 0.00010039652177653347 -0.02275106718995759" pbc="T T T" energy=-1061.5710183 free_energy=-1061.57102001 config_type=crystal 
Hf       1.57030672       1.97724543       2.35845669       3.76169835      -0.88784976       2.50068827 
Hf       3.77874171       7.20047701       0.04357305      -0.41890495       0.33719670      -2.63368720 
Hf       5.29132630       5.27701481       2.80676878       2.11994509       0.20445345      -1.63007248 
Hf       9.03050152       5.33590386       7.94764353       1.43350253      -1.57588240       1.39560618 
Hf       0.02514073       7.17961920       5.26497428      -1.21526362       0.73722957      -0.16586379 
Hf      10.71499418      10.67554513       0.14095659      -0.31308171       7.19875034      -3.45726609 
Hf       7.34001734       3.38052310       5.43435016      -0.36028654       1.47688020      -2.15631396 
Hf       7.25003319       7.44644184       5.12644185       1.40862500      -4.00440542       1.23978404 
Hf       1.77860405       5.40000314       2.20978069      -2.47356873       0.62169238       1.06840219 
Hf      10.72094088       3.92078263       5.10950230       2.21447494      -2.44885718      -0.71576066 
Hf      10.59320937       3.44619128      10.52835634       0.30782736       0.44477443      -0.07664050 
Hf       2.04371394       5.47315230       7.49484686      -1.52148827      -2.13226946       1.18853514 
Hf       9.21936159       8.99904103       8.13775351      -1.61662572       2.36717389      -4.06673106 
Hf       1.59131485       1.65529844       7.86228756       0.63499318      -0.09759821      -1.02783857 
Hf       7.26385331       7.31263293      10.24035848      -1.15537672      -0.99845196       1.35219187 
Hf       9.26970682       8.95665030       2.34293570      -3.32191349       1.25257077       3.96674516 
Hf       5.38244571       9.26937529       2.48936537       0.18618974      -1.81180927       0.73637880 
Hf       5.44117601       9.13552606       7.86947096      -0.47016367      -1.71800789      -0.53923937 
Hf      10.67211952      10.87790026       4.95569036       2.69193951       1.29103193       1.20880422 
Hf       3.79621883       3.29601432       4.98988354      -1.65690682       1.65682627       2.19507982 
Hf       0.09540200       7.34155556      10.56921804      -6.51081243      -4.04203748      -4.66526737 
Hf       1.65725036       8.92740687       7.87419640       5.07926809       0.65486368       1.03044523 
Hf       6.92558297       3.76606441       0.28645293       1.36602228      -1.43080180       0.66871638 
Hf       9.03326944       5.50291088       2.58003701      -0.16571101      -3.28966651      -1.81668348 
Hf       3.78573920       6.97866293       5.18166832      -0.91384791       2.39277121      -2.44668588 
Hf       3.23847045      10.70907641      10.47318045       1.85852799      -0.50806008      -1.44786681 
Hf       7.27967038      10.69035819       5.54387935      -2.99152161       0.27980019      -0.09698286 
Hf       5.44600377       1.55514679       2.75384678      -2.48194637       0.84869550      -1.20628109 
Hf       5.32832504       1.71907506       8.20338652      -0.24966093      -1.04209137      -3.00354414 
Hf       1.85342827       9.16833851       2.55607425       0.46967203      -0.80783125       2.95418966 
Hf       3.49223464      10.66825819       5.39204695      -0.58302032       1.32842553      -0.18165085 
Hf       3.38264550       3.47493610      10.07976949       0.20554471       3.01345456       1.94768550 
Hf       7.19900781      10.81314384      10.58998094       0.32260914       3.58765104       0.39223533 
Hf       8.98852349       1.82664995       2.59859971       0.02227736      -0.45336657       1.33751728 
Hf       5.45423194       5.43271809       7.69799617      -2.57687437       0.36057698       2.73492952 
Hf       9.22274754       1.68322451       7.81168895       0.24654222      -0.60808988       0.08664362 
O       0.03813970       9.34666943       1.52809519       0.59134401      -2.78119689       0.52782883 
O       4.96005948       7.18905615       3.37988435       1.27569460       1.37355987      -0.45214667 
O      10.75693792       5.88093878       3.73250759      -0.93605354      -4.13272345       2.64550684 
O      10.61403125       1.91266419       4.44508277      -0.00908258       2.40873315      -2.56225109 
O       1.33753006       0.07348978       3.58266580       1.44681229      -1.20371762      -1.41557594 
O       1.69060152       0.04569309       1.01710719      -0.13926145       0.27009695      -0.68333407 
O       1.66611409       3.52024880       1.00168132       1.34788379       1.69461904      -3.81603651 
O       0.09136022       1.60359455       9.68535706       1.22795166       0.88913895      -0.74854577 
O       1.78931080      10.84935068       8.75690573       0.25606610      -2.12267760       1.37010683 
O       1.41446036      10.58488785       6.19007153       2.54775880      -0.92514823       0.09748401 
O      10.89321116       1.69933980       6.61926683       1.13270552       0.28937551       3.42592894 
O       1.63172189       3.75671500       3.35292921      -0.36720925      -0.62742274       1.06356639 
O       1.55712391       7.26871460       0.86947845       6.17406765       0.35396345       1.86385456 
O       1.73007752       6.86511615       8.79195507      -3.45023236       3.34153162       1.29101315 
O      10.81469970       2.13844204       1.63349926      -2.82661302      -0.69906748       0.15356572 
O       3.80273721       5.61334144       6.66125850       0.19909893      -0.53265627      -0.69269466 
O       3.43665606       1.46362070       6.59482162      -1.34793355       0.68257186       3.53869536 
O       4.65570816       3.60614746       8.36373668       0.41455169      -0.26304265       1.41106041 
O      10.67903791       5.50461607       1.17081018       1.35238580       1.45627117       1.98719935 
O       1.81870290       7.23304942       6.03390080       1.47038685      -0.95235604       0.93589110 
O       0.00181979       8.73248911       7.13789677      -4.86825132      -1.08305121      -1.77836222 
O       3.65779930       1.54762396       4.37399315      -0.57919177      -1.71067491      -3.49954233 
O       5.27077504      10.80720207       3.85483537       0.00711417       0.52505219      -2.16131932 
O       5.47480753      10.70699105       0.84780528      -3.27803786       0.48444843       2.09956439 
O       3.73068793       1.92979554       1.63822024      -1.23163554      -1.95451543       0.38001872 
O       3.19520861       1.68407327       9.46754409       1.77734301      -1.96087992       0.18524439 
O       5.42018256      10.73739723       9.01255571      -1.52497757       1.04323398       0.37504660 
O      10.60024301       9.17310821       9.52606013       2.90046503      -2.26706855       2.03274456 
O       3.78418290       5.20104284       4.14869332      -0.66697937      -0.16097103      -0.24609608 
O       5.58689125       3.40106681       3.53655433      -0.36214945      -0.83584348       1.10153254 
O       5.09847046       3.71579839       1.00086288      -0.01196933       1.97519936      -1.35280862 
O       9.10505304       7.24622357       6.07943490      -1.95590922      -0.61729337       0.52840151 
O       3.71634663       5.69740190       9.17700356      -0.67554174      -1.77896088       1.97572405 
O       5.44981240       3.18795760       6.01146000       0.90078007      -0.39108062       1.45130242 
O      10.46708521       5.08921966       9.50437474      -0.07625982       3.11577281      -1.65343918 
O       9.09415357      10.83625114       6.21949802       0.29914719      -0.71313954       1.55546771 
O       2.00952092       4.11329873       5.79395091      -2.31017829      -0.76171298       0.96539513 
O       7.07571852       2.02146691       1.70673679       1.06812301      -0.37086072       0.17677376 
O       9.02623152       0.54659221       0.91831403       0.48424492      -1.03391465      -1.26533100 
O       6.71534161       9.04604501       4.33601956       1.12364635       1.92048386      -2.21448507 
O       7.55942395       1.34871866       4.42333573      -0.79422391       2.12013700      -0.23321033 
O       3.56765235       8.70791502       7.21139928       0.51717481       1.03392227      -3.09885649 
O       9.08601732       7.25795306       8.94393978      -1.52448574      -2.13680355      -0.31545117 
O       6.52496489       2.09838033       9.65099637       0.65714923       0.21611097       2.19162235 
O       7.29680446       9.26838651       9.45621750       1.00732989      -2.70622027      -0.94701101 
O       5.63604512       6.99584041       8.91241544       0.81285593       3.77030971      -0.63841547 
O       8.77683035       7.26085487       3.25117875      -1.76765908       2.03671488       1.41181881 
O       5.48314286       7.28419674       6.13073163       1.01803473      -0.26101654       0.89062189 
O       7.50807175       9.77775911       1.65283512      -0.99350975      -1.62079591       1.53141904 
O       8.88023548       7.76645269       0.79108224       1.62126206      -0.69234297      -0.87207019 
O       7.12913307       5.33396903       9.73291790       1.00445864       0.09843252      -1.99141941 
O       3.23968569       8.81995864       9.44611623       0.19567858       1.53075238       2.74206920 
O       9.36081834       0.11311719       9.05298534      -2.29009734      -1.68733975      -0.87238563 
O       7.08816026       5.02150960       6.85292509       3.82613121      -0.65617212       0.21913441 
O       5.31674499      10.56436715       6.35707788      -0.09620872       0.00798304       0.35690449 
O      10.71149320       5.46044969       6.93839416       2.43189215       0.01586865      -2.31542742 
O      10.47363854       8.85585564       4.42826238       0.48930654       1.10188118      -1.68971739 
O       1.57499106       7.18184984       3.26938091       1.36356411       1.71468661       0.36566212 
O       3.48473153       8.97626789       4.06895562      -1.17103398       1.20439061       0.43176322 
O       3.59452106       5.76765955       1.46356717       0.17524403      -0.31556697       0.05655223 
O       5.52455391       7.95034159       0.68570953       1.43243642      -0.92442073       0.26233851 
O       9.47395285      10.90464167       3.36097356      -1.41017378      -0.82177267      -1.55187364 
O       9.10542938       3.26737348       8.96502272      -1.08021222       0.24694086      -0.45961894 
O       7.17935121       5.44042673       1.67846450      -1.43802343       0.62353937       0.15244367 
O       8.95360694       3.87597862       0.99398210      -1.15056165      -1.90323824       0.88337678 
O       8.77095519       3.60641216       3.85756384       0.96542572       2.02207363      -1.24625551 
O       6.86007278       5.52073651       4.36164363       0.43060076      -0.25822399      -0.02308774 
O       3.38589724       9.02095117       1.33350647       1.02897440       1.22582969       0.78699605 
O       9.24422152       3.55352327       6.37167171      -2.52128578      -0.09553505       0.60332411 
O       7.17175071       1.32562264       7.39411115       1.19934231       0.48342401      -2.30228739 
O       1.79015441       3.61585809       8.67275987       0.24024272       0.43781447      -0.39334130 
O       7.24519447       8.98076916       6.86171240       1.26895776      -0.16084930       0.79620174 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.026361494801310236 0.0009135359803647436 0.012267951900450052 0.0009135359803647436 -0.009484515560096232 0.003436109152092803 0.012267951900450052 0.003436109152092803 -0.01434713200253933" pbc="T T T" energy=-1059.38376003 free_energy=-1059.38378295 config_type=crystal 
Hf       1.56162365       2.02368813       2.43365102       2.12841891      -2.01547951       0.30212792 
Hf       3.74414146       7.20412153       0.05658954       4.27817327      -1.65953072      -1.82350375 
Hf       5.28650249       5.17859870       2.57406915      -2.98352877       0.43360748       3.73990300 
Hf       9.08014293       5.21468952       7.97615232       1.20008917       1.99528079       0.78480569 
Hf      10.91206732       7.17463783       5.28181838       0.11598202       0.08473969       1.69939434 
Hf      10.62041498      10.77446039       0.17918676       4.22519642       1.20894463      -1.54397318 
Hf       7.41701720       3.55763122       5.36955907      -4.06062457       0.36082854      -0.19652070 
Hf       7.38176649       7.55406942       5.16292419      -2.50506455      -3.17256566       5.26183436 
Hf       1.68071778       5.45855704       2.21612237       3.76369694       0.91502168       2.83187612 
Hf      10.63875565       3.83666466       5.23001635       1.74374805      -0.35834515      -0.92041358 
Hf      10.55826740       3.41261618      10.45928793      -0.21795378       1.87411018      -1.13719351 
Hf       2.03038564       5.46116293       7.51677300      -2.63223119      -1.36720863       1.43950368 
Hf       9.23318379       9.06616034       8.12246422      -1.93440415      -4.80822282      -2.29988811 
Hf       1.59361637       1.70571115       7.82828380       2.51371850      -1.04505186       1.43112324 
Hf       7.27934181       7.30634539      10.30338707       2.60920120      -1.89019499      -2.71160007 
Hf       9.13143651       8.91006900       2.34604447       0.42120239      -1.29310877       1.59371185 
Hf       5.27058649       9.14314727       2.52296428       4.38566457      -0.86072393       1.43927624 
Hf       5.39359213       9.15000036       7.81203099       0.58685693      -0.97751370       0.38289479 
Hf      10.82850700      10.91091376       5.05752309       2.72267943       0.58378455      -1.16301610 
Hf       3.68683051       3.14160408       5.03039948      -1.74346543       2.65002362       1.56715614 
Hf       0.02549111       7.37375064      10.49936733       2.45640137      -4.66074947      -0.44299780 
Hf       1.79075458       8.98321695       7.87352699      -0.26887577       0.54101238      -0.82062896 
Hf       6.94584226       3.70471509       0.26048427       2.30797560       1.21765790      -0.04914452 
Hf       8.94801401       5.49519358       2.60843366       1.03107850      -1.23194935      -0.46569960 
Hf       3.78825754       7.02096142       5.23153236      -0.30324373       0.67739447      -2.96113328 
Hf       3.32247438      10.62406234      10.42272140       0.01866343       2.22368272       2.20347470 
Hf       7.23837371      10.65987805       5.52312856      -0.32441295       3.26679165       1.54304278 
Hf       5.44642799       1.47294907       2.72065007      -3.04911030       4.27016035      -3.58913166 
Hf       5.39011502       1.80708516       8.18947284       0.57324863       1.56085429      -2.10286549 
Hf       1.86997490       9.14792014       2.56240967       0.68073117       1.87570259       0.32443828 
Hf       3.54011269      10.81135582       5.31073181      -1.27243704      -0.31373228      -1.96473715 
Hf       3.34807494       3.46451541      10.12094911       1.19845570       0.55356048       1.30048083 
Hf       7.21189733      10.80471309      10.62814553      -2.67697688      -0.08521691      -1.04640643 
Hf       9.04803594       1.71515621       2.61617986       0.29436940       1.84819676       0.29652350 
Hf       5.46152919       5.57675629       7.66097356       2.23601464      -1.91201150       2.56752446 
Hf       9.27350012       1.57289146       7.90010342      -2.71270434       1.45920627       0.02486659 
O       0.04437574       9.09710852       1.54389849      -1.27603969      -0.18115903       0.52047730 
O       5.24570179       7.25583385       3.22045010       0.03464890      -1.26251417       1.38292100 
O      10.64208091       5.57446112       3.88650395       1.02194926       1.73900836       1.92736591 
O      10.77529886       2.10251710       3.86680926      -0.52317953      -1.07295740       2.96595642 
O       1.64097259       0.29019990       3.59800206      -2.46523987      -3.50287480      -0.02710586 
O       1.61948031      10.82785468       0.96016699       0.22876749       0.23772550      -0.21144188 
O       1.63265436       3.67150844       0.46404237      -2.32124633       0.43151332       2.34718700 
O       0.03058269       1.72048981       9.38171417      -0.63689720      -0.62004303       0.26852202 
O       1.65443992      10.70415651       9.07408338       0.27941336       0.35816889      -2.28305171 
O       1.75067929      10.85376211       6.25708939      -1.99360124      -0.60728126       0.29283740 
O      10.89984261       1.86403291       6.77244645      -0.48758411      -0.75721519      -1.63176233 
O       1.85196981       3.77705076       3.34087879      -0.70796537      -0.53062525      -1.25289633 
O       2.13369228       7.54432943       0.71770037      -6.71403869       0.26220434       1.01190055 
O       1.24021712       7.42856088       8.88096391       1.74830262      -2.21105792      -2.11759935 
O      10.63711182       2.04456983       1.48373974       3.18719044      -0.24448143      -1.78453364 
O       3.75825531       5.35527220       6.57632662       0.60488655       0.16353437       0.31471580 
O       3.53641898       1.47510138       6.97923917      -0.21993891       0.82606816      -1.53378486 
O       4.58404310       3.61169065       8.59238815       1.76597758       0.21280758      -0.28877929 
O       0.06425398       6.02638100       1.43312295      -3.05560980      -1.32205727       0.24234965 
O       1.85645794       7.05840935       6.19221572      -0.02547648       0.81440481      -1.23435156 
O      10.78827985       8.86436243       6.95942778       3.43341107      -0.38765337       0.26568839 
O       3.34297065       1.55744065       3.93914024       1.79795905       0.60303568       4.32109177 
O       5.28229023      10.86229991       3.56961998      -0.37259714      -2.33282778       3.42053586 
O       5.24345461      10.88142174       1.01475754       2.23013967       0.35871315      -1.24626182 
O       3.48268123       1.59319128       1.68923955      -0.09228589       1.28033955      -1.27438166 
O       3.46115444       1.47461526       9.55403151      -0.00474910       1.57775325      -0.45031015 
O       5.35715401      10.88559050       8.79164821      -0.20778993      -2.25139766       1.43945917 
O      10.81099756       9.11134726       9.77841204      -2.39399607       3.06364251      -2.64730327 
O       3.54736458       5.35808581       4.04630607       0.99808828       0.26176781       0.84565578 
O       5.08664379       3.29147142       3.74030535       1.96793053       0.69856771      -2.09784931 
O       5.06134748       3.92504945       0.80859129       0.31397363      -0.87778732       0.35958067 
O       8.90624130       7.16776787       6.50955408       1.70646876       0.45919051      -4.12879635 
O       3.47181255       5.46012386       9.42535843      -0.87461226       2.77257047      -0.63016653 
O       5.65732310       3.06391125       6.50799225       0.17604021       0.51561330      -2.00177252 
O      10.44000636       5.47578086       9.50246524       1.57582983      -2.33925718       1.93415876 
O       9.21462707      10.48593633       6.17365302      -0.54310332       1.59984624      -0.83185222 
O       1.55325228       3.97446123       5.85164799       3.33906069      -1.89965569       0.47594145 
O       7.23809992       1.97529854       1.93807230      -2.65249404       0.23879931      -1.22434031 
O       8.92230609       0.68058979       0.57257435      -1.07469957      -0.27122278       0.60180506 
O       6.87303657       9.21619509       4.25293745       1.03403213      -0.19681444      -0.65151381 
O       7.37314401       1.72446761       4.50209035       0.73487243      -2.00552354      -0.53118691 
O       3.60388483       8.71372269       6.66432869      -0.18378318       0.68382818       2.53516937 
O       8.88549809       7.07708112       8.84126406      -0.09449401       3.13597648       0.46174436 
O       6.85487985       2.23396521       9.71597528      -1.45751456      -3.48293243      -1.15685882 
O       7.31409698       9.14748092       9.32078608      -0.04218770       0.99359394       1.89736362 
O       5.65315324       7.24384787       9.05234920      -1.78072352      -0.80864759      -2.22635685 
O       8.41992035       7.36242367       3.62542340       3.95218763      -1.44974434      -4.62534830 
O       5.66121544       6.98777986       6.26139169      -1.68752362       1.25921104      -1.05492181 
O       7.51415233       9.57906099       1.57320531       0.63507372       2.01778810       0.04646799 
O       9.22635338       7.62528945       0.62656010      -4.68416226       0.22976376       3.12014284 
O       7.37562215       5.23598251       9.61760558      -1.40865449       0.14872118       1.01944992 
O       3.42428893       8.86671983       9.45939239       1.06844318       0.24264543      -1.42081016 
O       9.08211950      10.79712025       8.88415356       0.64266925       2.78431874       1.80524485 
O       7.40699005       5.28727872       7.01577615      -4.17272841      -0.76009371      -0.36399486 
O       5.28121906      10.41269875       6.15338894       0.94960383       0.81168140       0.41250605 
O       0.08816742       5.48854230       6.62798165      -3.07948881       0.39271839       0.97521271 
O      10.82592675       9.04503684       4.41425080      -0.06604429      -0.75876105      -1.06235920 
O       1.71979137       7.39365485       3.25697953      -0.91273339      -2.97460397       0.99094796 
O       3.41725802       9.02778969       4.17052178       0.25831351       0.91043485       0.14469772 
O       3.61273213       5.66550723       1.45466963      -0.38181276       0.61560053       0.27221095 
O       6.09687793       8.10567389       0.86905308      -4.04436064      -1.39395166       1.04864746 
O       9.53127179      10.77278939       2.92259958       0.01677925       0.68443317       2.00392292 
O       8.91234423       3.37230008       8.82674176       2.24092923      -1.91906259       1.44397102 
O       7.06225568       5.36146333       1.82730367       1.78616165       0.61798982      -1.11688632 
O       8.90536570       3.61143088       1.09040466       0.60207737       1.93128703      -0.05101882 
O       9.10466016       3.91549078       3.77861885      -2.54667337      -1.41059023      -0.25662054 
O       6.72843425       5.14164532       4.47988275       0.37304389       1.70389422      -1.26016027 
O       3.71914622       8.98704356       1.57401789      -4.18247982       0.60150323      -2.58342130 
O       8.98922511       3.58601493       6.46461041       3.00672305      -0.90519378      -0.52437112 
O       7.32981226       1.00206534       7.19573245       0.29234183       1.30450687       0.66844738 
O       1.70570940       3.67422432       8.55816957       0.50220223      -1.49818717      -0.60250481 
O       7.23598639       8.96909007       6.90314435       0.08357187       0.82010286      -0.93215093 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.002414004754400171 0.004361099737250642 -0.0034110979020971622 0.004361099737250642 0.0036531064765365977 0.0048386302729402555 -0.0034110979020971622 0.0048386302729402555 -0.00021186018794264508" pbc="T T T" energy=-1062.71515031 free_energy=-1062.71520078 config_type=crystal 
Hf       1.58290020       1.64627036       2.58741588       0.79147735      -2.42777043      -0.46061540 
Hf       3.52197755       7.08487686      10.37590735       1.64149910       3.61670250      -0.24221422 
Hf       5.38715449       5.35632080       2.28485119      -0.86343400       0.65908633       2.10178488 
Hf       9.17927797       5.54431426       7.69930290      -1.80987468      -2.29712574      -0.75797284 
Hf       0.23594239       7.08847875       5.10128226      -0.30289272       2.34643648       1.54722987 
Hf      10.93281327      10.83176367      10.54503239       1.16510382       1.03828095      -0.17650142 
Hf       7.30108158       3.54849414       5.12030998      -1.12054069      -1.93051505       0.48781471 
Hf       7.03909195       6.96165637       5.26839607      -2.37260948       3.27740094      -1.70872551 
Hf       1.81071959       5.49101584       2.33069938       1.34989216       0.72069218      -0.74203887 
Hf       0.05972094       3.60552888       4.97539972      -4.78410035      -1.39091960       1.64969497 
Hf       0.00946094       3.95543099       0.02359893      -1.07196222      -4.51099164      -0.19979745 
Hf       1.98589749       4.97516047       7.65036645       1.02530667       3.49055636      -0.98659619 
Hf       8.81837626       9.02221845       7.77929835       0.77075061       1.01494290       0.23940098 
Hf       1.31425875       1.71598799       7.93509270       0.62741404      -1.03271949       1.08163604 
Hf       7.12265643       7.21029687      10.48496610      -2.50128289      -1.19161722      -1.31779582 
Hf       9.18732910       8.80390952       2.28085798      -0.02894390       3.83233368       0.95524628 
Hf       5.45646697       9.08929152       2.56767548      -2.02549784      -0.43082272       1.17334753 
Hf       5.29373334       9.30949989       7.91922265       1.11846076      -2.17954233       2.12379154 
Hf      10.62003820       0.01177945       5.26932186       1.49286703      -3.19819279      -1.59704972 
Hf       3.49923980       3.47536645       4.95240388       1.52444609       0.34543571       2.71234884 
Hf      10.86453603       7.22490812      10.53601676       0.23391369       0.05440568       0.10713272 
Hf       1.49956985       8.90699770       7.89672988       2.13385511       0.96695244      -0.83297526 
Hf       7.40714486       3.55831269       0.19935285       0.36805257       1.44965461      -0.48131681 
Hf       9.01378945       5.52694812       2.77601983      -1.08684785      -2.58467188      -1.99825513 
Hf       3.75650103       6.99096740       4.83240130      -2.22724565       1.41302723       3.45588381 
Hf       3.80551653       0.12709431      10.51582209      -1.37664187      -6.42430041       1.75853699 
Hf       7.17949320      10.75620036       5.24296470      -1.05875945       0.03308437      -2.94699551 
Hf       5.23646501       1.89455523       2.62445231       1.04635727      -2.71315533       1.03573511 
Hf       5.28993719       1.82655233       7.83116564       0.69903038      -0.91462135      -3.44309407 
Hf       1.93481569       9.23686873       2.94134170       1.10748098      -0.96332353      -4.84103625 
Hf       3.61306376       0.09099966       5.41367165      -0.45967208      -3.25631841       0.97602339 
Hf       3.70377429       3.58869466      10.44217928      -0.93472686      -0.59142559       0.89013981 
Hf       7.30137586      10.92227612       0.17262963      -2.00759862      -0.37811310      -1.93328064 
Hf       9.11256831       1.57491558       2.50966633      -1.14598070       0.59779741       1.80997125 
Hf       5.47910491       5.31262422       7.92358469      -0.72722166       0.00304968       0.11078213 
Hf       8.74152058       1.89441719       8.29841010       0.97981677      -0.63200448      -0.96112721 
O       0.01125039       9.12288086       1.22739334      -0.38618362      -2.15765255       0.28268417 
O       5.14086635       7.08922102       3.49387517       1.77247855       0.34518900       0.68989649 
O      10.48986175       5.38229408       4.20268800       3.01750299       2.40743506       0.19126378 
O      10.78708477       1.66949270       4.12018198      -0.15148730       0.30102690       0.68250005 
O       1.69134411      10.87543407       3.77544206      -1.18703583       4.08000668       1.50087966 
O       2.18095932      10.66633289       1.21298903      -2.30456724       2.02506532      -0.65663279 
O       1.88833431       3.93775622       1.03018351      -1.34873583      -1.18424378      -1.38497151 
O      10.75243675       1.74473500       9.66180702       0.29382396       0.48677006      -1.02914284 
O       1.36303717      10.82349978       8.99570970      -0.02890824      -1.45262426      -0.41667845 
O       1.55745336      10.91664638       6.42891589      -1.89094231       0.99233724      -0.64257803 
O      10.59571687       2.40706837       7.17389751      -1.22364072      -2.17604749      -1.38933888 
O       1.53263440       3.42124677       3.66399550       1.34370407       1.28454537      -1.17425327 
O       1.64378850       6.95992313       0.73449164       0.94080141      -0.23413155       0.43125192 
O       2.14235717       7.24660692       8.98998205      -2.73777274       0.48305754      -1.82141613 
O      10.82335242       1.48470289       1.35502276       2.71970882      -0.85556237       2.38740152 
O       3.74207110       4.91797212       6.65663170      -0.27161744      -1.29165068      -1.06957708 
O       3.41251944       1.62713746       6.83730992       0.62513010       0.76037470       0.95108337 
O       5.15710424       3.33499654       9.01131722       0.45783952       0.56640320      -0.14674004 
O      10.85280489       5.59710936       1.43093231      -1.62774272      -1.55428247       1.23035292 
O       2.30791164       7.13208944       6.35151052      -2.39229515       0.64440798      -1.25521338 
O      10.81717652       8.87090700       6.64904514      -0.38961375      -1.14197615      -0.43457348 
O       3.54760637       1.56897797       4.11725518       0.23599841       2.38319893       0.81776957 
O       5.33737174      10.77686535       3.75494031      -0.69297464       0.80035675      -0.85386432 
O       5.22966659       0.20748626       1.18790108       0.72562824       0.21950423      -0.50021791 
O       3.40602604       1.95984029       1.84984799       0.04767708       1.01342095      -1.77513790 
O       3.17416542       1.72351969       9.79449436      -0.72977960       3.57794296      -1.96192063 
O       5.35162002       0.08681381       8.93447157       0.33274814       1.58559999       0.59328762 
O      10.55542246       8.66342643       9.12838003       0.72856634      -0.30427571       0.69489145 
O       3.38665397       5.26518069       3.89338006      -2.76285626       0.24407198      -0.29326084 
O       5.04435078       3.81609477       3.69775704       2.08556043      -2.54479485      -1.30064407 
O       5.39853317       3.47281086       1.09727706      -0.11623818       0.02004699      -0.61048288 
O       8.83807198       6.82346779       5.66861300       4.34359444       0.06911309       4.17127352 
O       3.56502159       5.07798636       9.07948631      -0.67633914       0.93276319       2.27125120 
O       5.56702177       3.13507200       6.08399432      -2.39549345       0.38289674       0.16654282 
O      10.56525338       5.37218838       9.47067964      -0.29777903       4.01585209      -1.30899273 
O       8.91511774      10.58116643       6.10724536       1.64886060      -0.31017913       4.13107410 
O       1.60308236       3.49179092       6.24132478       1.53198820       0.12422959       0.05445432 
O       7.26358061       1.37901879       1.65383956       0.05458314       1.46546788       1.19164591 
O       9.12183610      10.67583032       0.82754110      -0.20350481      -0.02480081       1.33054745 
O       6.85117771       8.86780919       4.37213690      -0.21006203      -0.75926883      -0.83393561 
O       7.18666741       1.62414297       4.17798939       0.08657612       2.05604437       0.08797194 
O       3.56092975       9.58048450       7.34293677      -3.53236600      -0.21493788      -2.08583008 
O       8.13482847       7.06584815       8.63156356       3.03404042       0.72316844      -1.78890944 
O       7.21116875       1.86239433       9.87181236       0.44446152      -1.57283434      -2.37808806 
O       6.90099245       9.05522165       9.77633631       0.67860096       0.74008589      -1.96732635 
O       5.21761149       7.02188446       8.90753386       0.54184263       0.69205541       0.99035934 
O       8.69374782       7.32782200       3.39196910       0.27921486       0.49619297      -0.27648687 
O       5.18667843       6.94144036       6.31394795       1.41400931      -0.50152901      -0.82440874 
O       7.01404314       9.39772713       1.46563037       2.64003210      -1.59374340       2.01681181 
O       8.87966325       7.12167741       0.78637806       1.95627494       1.41033040       0.72824993 
O       7.02909252       5.11985263       9.60096525      -1.42915303       1.08961244       1.97870172 
O       3.92160839       9.09162833       9.70067217       0.02933920       0.28580979       0.63787846 
O       9.01541949      10.83087087       8.85688710      -0.71383733      -0.24853989      -0.10779454 
O       7.26209268       4.83881820       7.15468378      -1.47161741       2.18545101      -0.71330998 
O       5.49561056      10.79388659       6.24546541      -2.36432452       0.23904809       1.80472875 
O       0.27002694       5.78656752       6.76100114      -2.13556669      -0.44317176       0.36698537 
O      10.80433324       8.96567859       3.91852955       0.46847939      -0.69176793       0.59964209 
O       1.78118353       7.30454817       3.31081658      -1.23122899      -3.12122077       2.43855780 
O       3.26344893       9.03262139       4.51554475       0.75506778       0.07540364      -0.13751397 
O       3.65773751       5.69161439       1.25629391      -0.52965510      -2.11011392       0.11433572 
O       5.62469197       7.06985914       1.29141170       1.28777936       1.75408169      -3.59551074 
O       8.94864782      10.73888232       3.87888838       0.89154502       0.10556816      -3.81825260 
O       8.94473433       3.63146480       9.18284154       0.24026956       0.70245384      -0.35216737 
O       7.22119163       5.21710006       1.75540327       2.66197513      -1.42202303      -2.44051120 
O       9.13592913       3.12696204       1.16166679       0.30272474       2.38764424      -2.74507290 
O       9.26594869       3.57762242       3.40932094      -0.55110432      -1.65533636       1.29652501 
O       7.32034803       5.29551708       4.06337487      -1.20580918       0.14199999       1.63728026 
O       3.59349098       8.83425819       1.56467978       1.10146516      -1.00266216       2.20660541 
O       8.90024892       3.98765039       6.04513023       4.67555227      -0.50110646       0.36211756 
O       7.17236622       1.61326859       6.86589417       2.09676057      -0.04015081       2.54114349 
O       1.39880171       3.65444885       8.97235322       0.37522041      -1.27075543       0.54272118 
O       7.10516660       8.83370141       6.78352793       0.15175379       0.22382641       1.35092180 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016747147250596058 0.0008459589613305135 -0.008407900012467839 0.0008459589613305135 -0.003833514170824181 -0.009359419701501115 -0.008407900012467839 -0.009359419701501115 -0.006043263136098809" pbc="T T T" energy=-1058.3518096 free_energy=-1058.35191513 config_type=crystal 
Hf       1.59111326       1.59201362       2.43903525       3.42315405       1.55964982       4.04508119 
Hf       3.50352425       7.17071624      10.52186765      -0.57439481       1.23173455      -0.87724768 
Hf       5.40306918       5.32387976       2.26999673       2.53862073      -0.63478572       1.21672820 
Hf       9.17751493       5.56465626       7.60042939       1.37111040      -0.42216110       0.50505255 
Hf       0.41106945       7.13198832       5.05015220      -5.78719740       0.59581935       1.58686173 
Hf      10.93504490      10.75100590      10.57311782      -0.38045861      -1.23392236       1.16057055 
Hf       7.15841134       3.46914761       5.05426307       2.32874618       2.39275025       1.99131952 
Hf       7.04313308       6.90388977       5.27911404       3.51084249       4.25172466      -0.33345332 
Hf       1.86800238       5.34839983       2.31679048      -2.77071544      -0.29015516       1.77017365 
Hf       0.01885791       3.66087520       4.96046927      -1.28121381       0.45152764       2.06506468 
Hf       0.03913133       3.86128213      10.56400824      -4.47666707       1.50361370      -2.88373349 
Hf       1.94711895       4.99765072       7.68000372      -1.18380169       2.55943623      -1.02090678 
Hf       8.79590529       9.03392768       7.72085766       2.50665069      -0.90795929       1.46154148 
Hf       1.33281416       1.63350180       8.03148966      -0.08343771       0.69682910      -0.44908477 
Hf       7.00401851       7.22418229      10.48638454       4.59720177       2.56035806      -3.14921121 
Hf       9.18439322       8.79062110       2.26434816       5.52106947       1.64569381       3.01025676 
Hf       5.46168443       9.08694475       2.53009772       3.13003334       0.55173448       2.65558400 
Hf       5.27535037       9.24736754       7.98203515      -0.57952944       0.22460801       1.65911271 
Hf      10.58691537       0.02388014       5.23647357       2.82408120      -0.98519455      -0.27088816 
Hf       3.52923656       3.52404495       5.03714241      -0.34658267       2.45842322       0.11224363 
Hf      10.84190706       7.15146962      10.53909227       0.12500953       1.61743014       1.92997241 
Hf       1.48809651       8.97620358       7.96660546      -2.26025934      -1.20357948      -1.14067499 
Hf       7.39731875       3.57836031       0.14915038       0.20444340       0.44330333      -2.29580013 
Hf       9.00499419       5.57424068       2.70114745      -0.75622522      -1.86037217       1.80300727 
Hf       3.80032383       7.04275641       4.84463251      -3.17605611      -1.53725389       1.40200361 
Hf       3.84068978      10.93253553      10.57420804      -3.55281203       0.34205702      -1.99969459 
Hf       7.21254044      10.89252817       5.25696894      -1.33604345      -2.04346076       0.49349266 
Hf       5.29488076       1.86377139       2.65718368      -1.81558284      -2.35188016      -0.43512910 
Hf       5.34467644       1.83782375       7.70768493       0.67874767      -0.02068904       0.02787097 
Hf       1.94151572       9.20982100       2.94415583      -1.86910842      -0.51572054      -1.14227677 
Hf       3.58911986       0.16243355       5.50636355      -2.26710994      -1.50988000       0.18717050 
Hf       3.76714829       3.55862110      10.40306764      -0.52238143      -1.44449805       2.41840877 
Hf       7.27527264      10.87436498       0.16009081       1.77175561      -0.43205673      -1.97610341 
Hf       9.04005854       1.58129559       2.51365806       2.34652983       2.50872250      -1.34022469 
Hf       5.39180630       5.32139768       7.87501218      -0.77255338       1.19355300       2.24151835 
Hf       8.75085707       1.93778367       8.26527759       5.56201248      -0.61659663      -1.28066124 
O      10.94313327       9.13314806       1.25705293       0.45492263      -0.86690101       0.43055028 
O       5.36721216       6.99225111       3.60213940      -1.07421672       0.91594948      -1.08826536 
O      10.79139048       5.49880774       4.09061030      -0.90395767      -2.22620803      -1.70204073 
O      10.91296450       1.82555314       4.08681914      -1.46983656      -0.65363601       1.09893692 
O       1.60141288       0.18115045       3.99769594       1.30067518      -3.17238811      -2.11318462 
O       1.99067781      10.47226214       1.07585601       1.68399689       2.00437572       0.90024698 
O       1.72549791       3.62762374       0.72190382       1.28400675       1.50552050       2.48211558 
O      10.86631550       2.15946397       9.73829628      -0.08642771      -4.90742001      -0.59104850 
O       1.43024653      10.90177043       9.19291964       0.26478970      -1.24530097      -1.56147525 
O       1.37911115       0.15042402       6.53752185      -1.35045770      -0.03997789      -0.94345247 
O      10.50322993       2.28352019       7.17815931       2.40757155      -1.44321671      -0.53766743 
O       1.74582107       3.53266765       3.67437196      -2.17018170      -1.22836750      -2.16628113 
O       1.57812076       7.06995599       1.17706258       0.73155373      -0.34825775      -2.82532662 
O       2.02082982       7.07760777       8.92692615       0.29266612       1.00932564       0.48155706 
O       0.00651772       0.99516262       1.68730868      -1.85046633       1.07111777      -1.56775252 
O       3.88615642       4.81051961       6.61880819      -1.90675477       2.25934344       2.45975259 
O       3.45779446       1.60094243       7.14050342      -0.33139715      -0.18815404      -1.38338044 
O       5.50933942       3.35741898       9.00891071      -0.82230593       0.93616611      -0.25840621 
O      10.42195307       5.41787347       1.47064980       4.00157558      -0.32456491      -2.11324746 
O       1.84444139       7.28470400       6.18056910       4.76012847       0.00044402       2.96326508 
O      10.54608663       8.74736703       6.77900359       3.93138230       2.08757028       0.75863235 
O       3.37226907       1.79682257       4.30975785       1.51279653      -2.44547184      -0.09634293 
O       4.90197921      10.79291457       3.80930425       0.98331807       0.84707122      -1.12790579 
O       5.37592065       0.15531171       1.06946745       0.08192209      -1.18089439       1.18453268 
O       3.43441052       2.38610538       1.73399380       0.55481749      -2.35100695       0.26987451 
O       3.24511012       1.83642818       9.76218698       0.72735220      -2.44860526      -0.23456951 
O       5.27176689       0.21552315       8.82463329      -0.96016747      -1.20139493       2.49694546 
O      10.68995304       8.64407080       9.30648753       1.10120873       1.74420192       0.06143496 
O       2.99376162       5.26986142       3.96596805       5.01853427       0.49695036       2.06779739 
O       5.25959400       3.56159686       3.56978430       0.14839204       3.19558316       0.51321723 
O       5.45375141       3.38251709       1.07808129       1.06048796       1.09499932      -0.73897192 
O       9.25372059       7.30230942       5.84992992      -4.70606474      -2.89800162       1.16129100 
O       3.89316004       5.39602819       9.59225669      -0.73105590      -0.96760678      -1.44860413 
O       5.44459044       3.22624772       6.11452655       0.94234432      -0.26527268      -0.42749528 
O      10.69992804       5.70007670       9.29843096       0.55254746      -2.09289363      -0.29875877 
O       9.19668366      10.94605524       6.68641936      -1.45645605      -0.14635108      -3.97419319 
O       1.93477997       3.57942873       6.28891538      -2.96044753      -0.70585882      -0.99703243 
O       7.15643093       1.45889899       1.93107768       0.65454839       0.48941405      -2.28832697 
O       9.14702712      10.76308829       0.85090289      -2.43171592       1.11051693       0.68183048 
O       6.83518261       8.99650056       4.17379965      -0.37900792       1.34259303       2.51634683 
O       6.89363769       1.77883435       4.24664582       0.41515185      -3.34483174       0.49693086 
O       3.19195654       9.55124962       7.23688252       3.19178104      -0.10684736      -0.51220758 
O       8.40704814       7.23150320       8.76193006       0.34640541       0.15699213      -0.67074974 
O       7.46753696       1.65273802       9.62726182      -2.47468845       0.40497440       3.99982045 
O       6.66089226       9.28426154       9.67901272       0.18067904      -0.98149690       0.35741059 
O       5.17947113       7.26075418       8.74554832       0.74725295      -0.01235870       0.23870123 
O       8.61015464       7.32287295       3.44306419       0.06655931      -0.75397493       0.46804908 
O       5.31276687       6.72714133       6.26922814      -0.77371658       1.56376506      -1.28919188 
O       7.51284079       9.21469927       1.84379584      -8.17141875       2.48561265      -3.21773574 
O       8.93883847       7.37691287       0.90261521      -0.03245210      -1.31971413      -1.91491923 
O       6.76933409       5.42560676      10.10869950      -1.33209707      -2.50191647      -3.14249712 
O       3.85783417       9.07907483       9.83377446      -0.51522080       0.57957501      -0.04706285 
O       8.88758849      10.59747947       8.99838959       0.38921605       1.23594171       1.05353527 
O       7.21082846       5.37377459       7.24847397       0.24063839      -0.10260074      -2.29719024 
O       5.42387353      10.91246896       6.47930129       0.43882736       0.39835553      -2.51216442 
O      10.93291801       5.48932456       6.61633960       2.94405068      -0.99559392       0.90326783 
O      10.93793268       8.82358475       4.08550965       0.45529864       2.98692256      -1.06067751 
O       1.75533931       6.99416764       3.57679009       1.01251155       3.00494229      -1.21440665 
O       3.30050804       8.86055982       4.44952537       0.27413030       1.97952106       0.52204548 
O       3.59369443       5.55730292       1.41232327       1.94654537      -0.42683284      -0.51715461 
O       5.53308458       7.46708470       0.98204573      -2.45577562      -1.13324988       2.08542594 
O       9.10641443      10.92252087       3.51065868      -0.65031753      -2.39257453       3.82324101 
O       9.04508034       3.82279009       9.07444157      -2.21199687       0.67809665      -1.21963952 
O       7.41821502       5.13370671       1.53547023      -1.42304778       0.19369221       2.55405093 
O       9.20308733       3.30368177       0.84439943      -0.03839933      -1.79208314       1.38655214 
O       9.06240878       3.41335440       3.44308651      -0.95566534       1.06408299       0.71179750 
O       6.97127640       5.43185957       4.05499996       1.01076804      -3.58983320       0.64414803 
O       3.72646351       8.71470807       1.93235167      -3.09211461      -0.09853901      -0.80137230 
O       9.10934429       3.90824437       6.03856151      -2.58665133       0.47314857      -0.94231791 
O       7.41611136       1.72676694       6.94040123      -2.86938544       0.23272595      -2.30394638 
O       1.70702270       3.49842993       8.88952461       0.71915407       2.57210860      -0.45719141 
O       7.00985773       9.05098190       6.81676066      -0.30864252       0.10140818      -0.35197419 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.024374642016995785 -0.004121140649713817 -0.003670104608731537 -0.004121140649713817 -0.024900559022063097 0.0018820932916211984 -0.003670104608731537 0.0018820932916211984 -0.0011487330273743563" pbc="T T T" energy=-1059.4571315 free_energy=-1059.45720575 config_type=crystal 
Hf       1.55814928       1.81797279       2.71313229       0.93759753      -1.98670306       1.72371887 
Hf       3.46434757       7.16842732      10.27940911      -0.98200972       1.60921010       4.17270702 
Hf       5.33330696       5.77638042       2.87802198       2.01398475       0.71010324      -5.76023437 
Hf       8.87745474       5.42233465       7.68345389       2.71095371      -1.43254568       2.26993466 
Hf      10.69716538       7.16451120       5.21861792       2.49174060      -2.24243522       0.84131728 
Hf      10.89791545      10.70493450      10.42063589      -1.90275595       0.35463889       3.63973780 
Hf       7.40343549       3.40018299       5.30411143      -0.35629677       1.04714512      -0.24428739 
Hf       7.20933647       7.51801432       5.18516782      -1.41965567      -0.89844377       1.74139867 
Hf       1.96914774       5.71141155       2.89432262      -1.78389182      -0.92680386      -2.70812320 
Hf       0.35962960       3.60476339       5.43373814      -2.15181942       1.38885180       2.10736802 
Hf      10.94115320       3.32868095       0.04085160       0.09738596       1.03600535       0.21517407 
Hf       1.63555167       5.17509180       8.34693212      -0.56474575      -0.45576794      -4.60507306 
Hf       8.92798809       8.82636856       7.79066681      -0.94691814       0.47529682       3.87093737 
Hf       1.78685918       1.67140649       7.65913559       0.51009780       2.64123846      -0.55061800 
Hf       7.39428712       7.09826772      10.57508472       1.59619772       3.67500103       2.97674425 
Hf       9.12096521       8.53750233       2.59553707       4.96858491       0.68899188       0.53814365 
Hf       5.11060949       9.25885249       2.38029493      -1.86610394      -3.21023882      -1.44988254 
Hf       5.30324753       8.91067903       7.86656637       0.92534374       0.85697767       1.82405545 
Hf      10.71881158      10.65555120       5.23180223       2.74136295       1.26596987      -1.97479473 
Hf       3.75851233       3.85340652       5.23475731      -1.88475162      -2.90368148      -0.60426964 
Hf       0.09258938       6.77154348      10.58656648      -2.44163545       3.68962246       2.95357617 
Hf       1.69699303       9.23535428       7.63394677       1.05079203      -1.69398374       2.29475778 
Hf       7.02338313       4.14341009      10.08700965       0.25448943      -5.51572573       3.04669456 
Hf       8.79887502       5.12513803       2.67238782      -0.71879059       0.03152213      -2.98279960 
Hf       3.39842773       7.51099317       5.38535058       0.07019502      -3.14860080       2.41028472 
Hf       3.26600507       0.05463812      10.24942045       0.64149441      -0.50139188       3.38663750 
Hf       7.67238633       0.12697642       5.07856065      -2.28328043      -0.11352694       0.32088897 
Hf       5.47586413       1.73670064       2.30919914      -1.04429589       1.96673299       1.15682967 
Hf       5.49044656       1.46365104       7.81040210       0.23541577       1.53945220       0.06467173 
Hf       1.66912184       9.10119850       2.37678917      -2.24905438       0.73253886       0.21032368 
Hf       3.87089909       0.08377045       5.27755859      -1.59640055       0.53830312      -1.78175579 
Hf       3.58299853       3.54661825       0.23912710       1.56473068       0.76763130      -0.52922747 
Hf       7.07548045      10.78826945      10.55754591       3.05977030       1.15290569      -3.29879246 
Hf       8.90911035       1.72635938       2.28205842       0.15733156      -0.90383737      -0.06437074 
Hf       5.43140731       5.46480153       7.70343737      -2.87293255      -1.05100123      -0.77602841 
Hf       9.04588527       1.30441840       8.09179977      -1.67070987       3.33460829       0.76321841 
O      10.75929368       9.02634569       1.46693295      -1.37337123      -0.69082494       2.13091536 
O       5.83893074       7.73278698       3.69663344       1.00506258      -1.30990979      -0.17266892 
O       0.32086618       5.32048121       4.51139827      -0.55037139       2.57653091      -1.38711850 
O       0.01961803       2.08264017       4.44839689       2.11190743      -3.20198889      -1.82600911 
O       1.04726695      10.82585138       3.24163710      -0.08547651       0.40550744       2.81525831 
O       1.53690987      10.75514716       1.04743098       1.49509310       1.88922975      -3.82063476 
O       1.91844315       2.80495118       0.98244527      -1.65393989       2.09351199      -1.69995605 
O      10.41502153       1.79340758       9.55165838      -0.97902679      -1.65433824      -0.03323578 
O       1.46935320       0.17871920       8.93016534       1.00755291      -0.96292317       0.07621521 
O       1.63620300      10.83576360       6.18706884      -0.15178523       0.29942940       0.16108687 
O      10.84148000       1.99576468       7.04124929       0.26781529      -0.94675314      -0.31048828 
O       2.19750025       3.86647495       3.67244577      -0.73509411      -0.96496961       0.40739025 
O       1.65178298       7.41097048       1.01656362       1.28492189      -1.73971016      -0.93692464 
O       1.94066630       7.05241522       8.73924671      -0.98543404       2.74879189       2.08028439 
O      10.70144709       1.83956565       1.46378294       0.28036557       0.75605390       0.80309616 
O       3.66448772       5.40835665       6.30157845       0.68049637       4.21110556       4.02782756 
O       3.65629504       1.79203326       6.66635436       0.40244119      -1.24074646      -1.42071001 
O       5.32768237       3.76550642       8.79428409       0.78846797       0.52033389       0.25082335 
O       0.47885543       5.16989252       1.53454274       0.26016047      -0.78619097      -0.19901572 
O       1.65887020       7.44009152       6.40067241      -0.12982721       2.79293080      -1.25065002 
O      10.72894917       9.33884959       7.23531825       1.74596621      -1.02735820      -2.00019083 
O       3.11497431       1.31495391       3.92550302       0.02483192      -0.32712762       1.50902418 
O       5.46455841       0.00203354       3.41000099       0.25677115      -0.79541030       0.48843964 
O       5.33247890      10.40482479       0.69642664      -0.98219712       0.76023544       1.09639062 
O       3.66613945       1.49663989       1.53464212       0.89325512      -0.50167624      -1.84084363 
O       3.85791130       1.62411481       9.10943543      -2.10393579       0.53878959       2.01334645 
O       5.43267152      10.71325065       8.68729354      -0.35669388      -0.35460180       0.21549768 
O      10.92773889       8.93886466       9.82380032       0.46070389      -2.37765137      -3.18788388 
O       3.88778415       6.00101358       4.06164680      -2.81421952      -0.09723317       0.68112809 
O       4.85692671       3.24621251       3.77380891       2.61560657      -0.16310028      -2.75312590 
O       5.43832087       3.45264590       1.00104974      -0.18634557      -0.42549526      -0.87931971 
O       9.01528966       7.15857053       6.56920934       0.44866157       2.27325371      -2.06004085 
O       3.30108454       5.29426624       9.56028849       0.44759561      -2.57933444       1.07833324 
O       5.50803007       3.88056831       6.20060827       3.01833429      -1.29361584       0.15737246 
O      10.95065862       5.19369563       9.52506132       0.15383905      -1.88482172       0.56412752 
O       9.06538553      10.68028689       6.70792672      -0.79489702       1.90341560      -4.33564976 
O       2.06389873       3.69942191       6.45969939      -1.63074866      -1.34437615       1.17389105 
O       7.21872489       1.46654058       1.19365456      -1.29112091       0.21356222       1.55362289 
O       9.03893917      10.83269110       0.76286416      -0.67972886       0.42073643       1.37408850 
O       7.98815173       9.10821746       4.46906721      -0.38105984       2.11377256      -0.59019778 
O       7.33736369       1.90083313       3.76862940      -0.31330820      -0.70738185       2.51082618 
O       3.67439468       9.68785954       6.85058565      -1.40292885      -1.85361198       0.59927267 
O       9.11788022       6.89987297       9.29003564       0.11646296       1.98974470      -0.51547737 
O       6.97365593       1.58086260       9.20221491       1.06004526       0.35039128       1.15588563 
O       6.83761035       8.88403305       9.67972008       0.25039517      -1.98707407      -0.82727297 
O       4.71913167       7.21410836       8.80013940       2.15948350      -0.70164379      -1.80787346 
O       8.96185352       6.80544496       3.90299729       0.16373270       0.54293122       1.06132523 
O       5.22718199       7.70729007       6.24025741       0.35875930      -1.73784386      -0.80360899 
O       7.68467875       8.34495019       1.54083830      -4.79944138       2.11725694      -1.41890070 
O       9.33578312       6.58046865       1.37033564       1.11781571       1.63074138      -1.45971746 
O       7.02602769       5.81871955       9.19194326      -2.19334769      -0.39823470      -2.98863581 
O       3.26779627       9.20520173       9.53732209      -0.40571070      -0.62420065      -1.90296310 
O       8.61943579      10.59716788       9.03573150       1.28129114      -0.99367058      -0.76117565 
O       7.11880200       5.67316799       6.75257447       0.08096599       0.58022476      -2.24724302 
O       5.72373519       0.07573083       5.90573154       0.41369934       0.28795803       0.37817028 
O       0.02349427       5.67882885       7.11451233      -1.01746134      -0.61363155      -0.93859085 
O      10.52833791       8.94480927       4.20322136       0.17358947      -0.21721171       2.85992218 
O       1.35931333       7.49510763       3.65645519       0.74012206      -1.76046295       0.93232936 
O       3.49589909       8.85831932       4.16353523       0.64988217       5.06765751      -3.03076498 
O       3.70694321       5.45781149       1.51007447      -1.89762920      -2.11735556       0.26976212 
O       5.06267480       7.37113282       1.22649328       1.21605295       0.29447709      -0.51760086 
O       9.45092870       0.19071942       3.70971604      -3.12759863       0.91496185       0.56068654 
O       8.54705312       3.72559744       8.80952640      -0.31201201       0.08157135      -0.66992531 
O       6.92080046       5.60066612       1.19345951       0.00564072      -0.91560875       0.21700427 
O       8.68169611       3.85109459       0.68215795       2.18120054      -0.98397015       2.13415390 
O       9.26982405       3.44700082       3.53088312      -0.85455955       0.14536966      -0.39114362 
O       7.05402454       5.04361717       3.72293799      -0.13381638      -0.48032161       2.08091494 
O       3.33053942       9.01812496       1.40338577       2.19705940       1.63582253       1.02104222 
O       9.12904252       3.89796830       6.33911254      -0.95752914      -0.51965601      -2.69476899 
O       7.31020486       1.63098904       6.72209592       2.19953707       1.86038874      -2.37219547 
O       1.44857263       3.32407001       9.02617560       0.96108921      -2.30463190       0.89308327 
O       7.11949453       8.99496310       6.91700446       1.02952778      -0.87856611      -0.46783879 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0017524345216060214 -0.0007406656573277593 0.006351302014954481 -0.0007406656573277593 -0.032574850689020864 0.006166705244435933 0.006351302014954481 0.006166705244435933 -0.027288286673518788" pbc="T T T" energy=-1064.12089683 free_energy=-1064.12089871 config_type=crystal 
Hf       1.86677115       1.45848759       2.86065898      -0.40628155       5.85665410      -2.66851049 
Hf       3.55504320       7.50380417      10.43388632      -0.23579547      -1.72778194      -0.02336830 
Hf       5.46129681       5.33961696       2.69126992       1.32245425       1.79007182      -1.69612001 
Hf       8.73395141       5.74717851       7.71805852       2.49405877      -2.38537198       2.02762227 
Hf      10.80782919       7.07259080       5.04258425       3.31333603       0.36203915      -0.56717176 
Hf       0.05287114      10.92904035      10.60663573      -0.48779516      -0.12297994      -1.29697256 
Hf       7.12305567       3.41006124       5.17288484      -1.08211725       1.60474786       3.46552956 
Hf       7.25655880       7.10264607       5.23365083      -1.21394307      -0.21300443      -0.55720020 
Hf       2.16013076       5.24400602       2.23042784      -2.27065711       4.59353801       2.59677104 
Hf      10.91044550       3.64218591       5.28716498       1.49804565      -2.66748968       0.42123510 
Hf      10.91159862       3.82319656       0.18199697       1.90611209      -2.64014973      -1.07907355 
Hf       1.74373779       5.46801865       7.85214580      -0.64302170      -0.81062409       1.00586276 
Hf       9.12900636       9.34049135       8.00568117       1.73258989      -0.22142559      -0.61845232 
Hf       1.57203623       1.70199378       8.20813567       0.10280988       3.11574369      -1.11462393 
Hf       7.29996823       7.49568797       0.09089985      -3.46232319      -1.59326146      -0.69295432 
Hf       9.03054052       8.80290891       2.89388523       0.90889719       3.63338933      -2.24787092 
Hf       5.21341895       8.97554699       2.60688799      -0.51879205      -0.96576778      -1.57967330 
Hf       5.59130761       8.91634427       7.92880884      -1.95337348       2.43493113      -1.71478301 
Hf      10.78788774      10.86044637       5.21066254       2.96787631       0.40491235       0.74091142 
Hf       3.49919400       3.62436554       4.97993001      -0.53368633       0.94802653       1.20389511 
Hf      10.70163762       7.12205736      10.35186551       2.97693028       2.33071986       0.00543133 
Hf       1.84376267       9.18426832       7.66170048       0.04820620      -2.43812922       2.30531793 
Hf       7.21596452       3.72476643      10.36729691       1.98912332       0.46039948      -0.19027213 
Hf       9.04569398       5.02755304       2.64408439       0.62364002       0.69105801      -1.61788558 
Hf       3.58441174       7.20527486       5.10240298      -0.79772482      -1.05048748       0.24567511 
Hf       3.71359525      10.81838201      10.46015568      -1.25490913       1.37660850       1.19159067 
Hf       7.32873616      10.72101998       5.14107267      -0.65947954       2.52043433       2.14713118 
Hf       5.46072140       1.54240661       2.45927201       0.36285542       4.37630507       0.54720952 
Hf       5.14924890       1.56067606       7.93309647      -1.02535776       1.50614214      -0.92574653 
Hf       1.47492181       9.07217518       2.48299679       0.93085401      -1.80803060      -0.21199224 
Hf       3.60402704      10.57911491       5.23714437       0.82894075       4.50480383       1.88196954 
Hf       3.74530991       3.75316690      10.34485632      -1.68606238      -0.73992264       2.19179170 
Hf       7.21429384      10.88329555       0.00019015       1.93006224       1.83022364       1.06046283 
Hf       9.22663462       1.63311166       2.54381912      -0.73286614      -1.23391423      -1.10583331 
Hf       4.97554535       5.46712880       7.62088065       1.10028922      -2.22998896       1.51080208 
Hf       8.84274701       2.02717553       7.83737053       0.09081946      -2.83867262       0.10776474 
O      10.67030751       8.81566071       1.73022210      -0.63984314      -0.18997775      -2.92527589 
O       5.40510831       7.18583114       3.75626819       1.88647052      -0.19221422       0.07353088 
O      10.53691547       5.15262619       4.20038342       0.93781160       2.63378876       1.35965160 
O       0.28403572       1.70267514       4.11840045      -2.62590636       1.29917123       4.12526610 
O       1.41321203      10.77308344       3.51474330       0.64387817      -4.66663505       2.89412758 
O       1.82286848      10.63534363       1.04301580      -1.31387256       1.55338025      -1.65317981 
O       1.88671370       4.10039574       0.84565536       0.93954882      -4.01340767      -4.14013104 
O      10.83766468       1.81684126       9.80935668       0.79880697       1.21788733      -1.33996824 
O       1.46877593      10.83622200       8.81106293       0.30450182      -0.91933268       1.74170877 
O       1.85541021      10.44809814       6.23677217      -1.10959598       1.85618321      -3.80133145 
O      10.74538711       1.32692356       7.08432097       1.16961816       1.61136573      -0.48679447 
O       1.88727464       3.60135618       3.28395869       0.51187910      -1.09369972       2.50854286 
O       1.85693879       7.01236359       0.66860821      -1.62747667      -0.13652692       1.00470534 
O       1.90508220       7.39209581       8.87521160      -0.50312736      -1.97772670      -1.39926515 
O      10.89805339       1.92608770       1.67747037       3.14680110      -0.23149121      -0.85904391 
O       3.33015278       5.25229599       6.47996921       2.50144501       1.95953474       1.17491488 
O       3.26556738       1.39150250       7.22262892       0.57685250      -0.06772642      -0.02424442 
O       4.86677813       3.63305036       8.77423142       3.22597457      -1.55161849      -2.68031744 
O      10.95164872       5.03248664       1.74895157      -1.72179539       1.71131232       0.34568435 
O       1.89508167       7.12700706       6.23871642      -1.70015183       1.23277146      -1.16580408 
O      10.88930272       9.09290832       6.92243684      -0.65979943      -0.30375791      -0.64458465 
O       3.35867322       1.74321727       4.66455631      -0.87625649      -2.32330892      -1.66129306 
O       5.20156851      10.89050963       3.38171903       0.34325886      -3.43006320       3.47694725 
O       5.34510525       0.16967798       1.03257823       0.10182234      -1.97247736      -3.36589505 
O       3.55425108       1.54093741       1.91231016       0.11642057       0.84054564      -1.45218778 
O       3.44264636       1.80676853       9.62272504       0.70019281      -3.48643956       1.60540481 
O       5.56372336      10.56455242       9.09205691      -2.51501970       3.80544634      -0.25938604 
O      10.74199656       9.08111506       9.58042396      -0.23400587      -0.12689960       0.74062579 
O       3.56754410       5.51802786       3.71827292       0.26978633       0.78618601       3.44586914 
O       5.25530254       3.66424406       3.66838071       0.94570616      -1.58877563      -0.26094047 
O       5.59876032       3.22846554       0.60331022      -1.76288184      -0.04356018       1.79434547 
O       9.10850922       7.14444397       6.03898401      -1.45205058      -0.45140374       1.80884798 
O       3.89505291       5.49487564       9.48053910      -1.51249915       3.38033479      -1.48200638 
O       5.11956515       3.50238132       6.32598827       0.53705213       1.26511699      -1.65584320 
O       0.02998537       5.35591346       9.48568024      -0.98258783       0.49898627       0.90857637 
O       9.13143126      10.77983103       6.23358591      -4.55780153      -0.60869766       1.12283869 
O       1.77280537       3.72771578       6.29634665      -1.86605719      -1.75302331      -1.22545143 
O       7.31945578       1.54114174       1.80635508       1.05381400      -0.75203586      -0.42446254 
O       9.26894428       0.01724507       0.80935902      -2.23746498      -0.29566775       2.35131198 
O       7.36267884       9.03684800       4.23399636      -0.10580268      -1.63258076      -2.19581954 
O       6.97195622       1.75120814       4.43939211       0.09727774      -4.12225757      -1.68817606 
O       3.91848450       9.16250937       6.61340206      -0.81825475      -0.71293697       1.70244490 
O       9.35571438       7.38279855       8.63277538      -1.33359557      -0.76996991       0.99793850 
O       7.30402458       1.67238267       9.73299135      -0.26493671       2.02344972      -1.03056829 
O       7.23327851       9.23661433       9.49461466       1.77372460      -4.90369691      -0.47300740 
O       5.12432312       7.47665739       8.99154526       1.42411116      -2.63127759       0.27969203 
O       9.19014008       7.12084311       3.70822490      -1.62482770      -1.72823263      -1.35614785 
O       5.14933183       7.16149107       6.35148150       1.60595896      -1.05719435      -0.37464697 
O       6.97192861       9.15984181       1.54065112       3.20720518       0.01437416       0.13943723 
O       9.01753925       6.91211334       0.74826566       0.74837620       1.12528920       0.93659286 
O       7.17122066       5.63192895       9.45459584       0.45146501       1.28454621      -0.20328371 
O       3.42334452       9.16330872       9.27167170       0.32638964       2.05037873       1.17621631 
O       8.94630542      10.87233012       9.09190725       0.21360411       2.01991008      -1.65005981 
O       7.10718481       5.58989922       6.68063602      -1.52235995       0.15606257      -0.21992220 
O       5.31269467       0.33742826       6.17950503       1.95127215      -1.19526133      -0.21935344 
O      10.90323831       5.24195484       7.09087088      -2.63358439       0.57952301      -2.31572363 
O      10.78117938       8.99477071       4.01632900      -0.70724400      -0.06874204       3.52437432 
O       1.40509692       7.24240135       3.32162861       0.79321082      -1.44325687       1.48247954 
O       3.70246549       8.98286176       4.12528996      -0.92866102      -1.23784443      -1.33843502 
O       4.02337407       5.33760434       1.40302471      -0.25974239      -1.06714507      -1.64396115 
O       5.48008482       7.33214764       1.11662630      -0.29334958       0.41538029      -0.89206208 
O       9.20841490      10.93544249       3.83056373      -1.63247859      -0.38971233      -1.30345184 
O       8.49574343       3.76556164       8.45031201       1.07055456       2.23809191       1.73792406 
O       7.37241467       5.31573682       1.51671217      -2.56058415      -0.24658543       0.69903432 
O       9.00632765       3.51389345       0.80289925      -0.67261530       0.46506712       0.01007602 
O       9.07004709       3.30754869       3.52695953      -0.43379667      -0.72472176       0.10452898 
O       7.58413915       5.13996927       4.19557922      -1.68270959       2.39714790       0.15014838 
O       3.42415230       9.07976440       1.51809755       2.47956559      -1.08368739      -0.58619332 
O       9.07434644       3.24385916       5.95504319      -0.68105293      -0.35297735       1.67358031 
O       6.91213646       2.21649806       7.17763062       2.20184249      -1.27090856      -0.96240192 
O       1.92713465       3.68837388       9.08175773      -0.63991539       0.00846897      -1.83150305 
O       7.04000996       8.99590641       6.53348304       1.48733141      -0.21226878       1.45251415 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005405601690577359 0.0033362471406747918 0.0049177303473981636 0.0033362471406747918 -0.010558380200026448 0.0019228703440084553 0.0049177303473981636 0.0019228703440084553 -0.01928605453908768" pbc="T T T" energy=-1065.16546995 free_energy=-1065.16549392 config_type=crystal 
Hf       1.84680077       1.51035976       2.93277791      -0.25436493       2.44288568      -2.67895268 
Hf       3.52937778       7.53176903      10.41990280      -1.76987893      -1.59114973      -1.54954860 
Hf       5.44501850       5.31345545       2.69595125       1.21408467       0.92102096      -1.49814618 
Hf       8.76392911       5.73825649       7.72958322       2.18553436      -1.34464565       0.24682641 
Hf      10.83262164       7.15890863       4.98077183       1.34402539      -2.49173152       2.49539082 
Hf      10.95117947      10.92323860       0.02441577      -0.86936347       0.62902639      -3.23484136 
Hf       7.11015158       3.40760929       5.19808194      -1.22980965      -1.53226750       3.76259808 
Hf       7.25733394       7.08719909       5.19407513       0.76927226      -0.74148195       1.37941364 
Hf       2.16055793       5.22942348       2.23107344      -2.78193704       2.22933195      -1.42600097 
Hf      10.93515533       3.60530703       5.25280312      -1.95708157      -0.21444714       1.00226453 
Hf      10.89785706       3.81495140       0.19666690       1.06301097      -2.49518009      -3.76068469 
Hf       1.73077925       5.46132804       7.87000294      -1.75552776      -0.59017973       0.90592982 
Hf       9.17371955       9.37498555       8.01420223       0.44903181      -2.54011496      -0.28242956 
Hf       1.60776835       1.67503435       8.19579614      -1.96059290       4.74807294      -0.91799564 
Hf       7.29368168       7.48961177       0.06237044      -1.10650320      -3.58548019      -0.83840218 
Hf       8.99139112       8.82822889       2.87835510       1.68953401       0.05651799      -1.30769764 
Hf       5.26708966       8.98699305       2.57029883      -0.21376887      -1.26279901      -1.15046586 
Hf       5.56936285       8.92792783       7.92754410      -0.88744822       1.83372135      -1.53991205 
Hf      10.76343636      10.88008434       5.21169748       2.43947507      -0.25515237       2.92467231 
Hf       3.44748847       3.65877274       4.97734855       0.74448057      -0.27657640       2.34816401 
Hf      10.71073077       7.08700342      10.39682129       5.83349541       3.31727575      -2.90249703 
Hf       1.83030925       9.20571370       7.62098003      -0.79429793      -2.27225074       1.16173695 
Hf       7.24506837       3.71892798      10.37036157       1.05297775       0.33670196      -0.97937117 
Hf       9.03481938       5.02421837       2.65927068       0.71262264       1.19461285      -0.47412951 
Hf       3.56085284       7.20438841       5.11822361      -0.26679640      -0.61206723       2.46603963 
Hf       3.75461835      10.85266849      10.46075026      -4.16418002       1.80052051       0.60086344 
Hf       7.32796114      10.68876541       5.19698684      -1.06417704       1.93228356       1.90525180 
Hf       5.45821511       1.55276649       2.46202248      -0.22707402       2.04594486       3.18087720 
Hf       5.13034618       1.51858081       7.89839502      -1.55706357       3.33849750      -0.64791451 
Hf       1.51871831       9.06060576       2.49252835      -0.15872080      -2.39713911      -0.77358966 
Hf       3.66333154      10.64150660       5.18733039      -0.08477584       2.37688013       1.88986995 
Hf       3.73292832       3.77765926      10.38897114      -2.54329110      -0.42553750      -3.99545450 
Hf       7.22527756      10.88253082       0.06163215       3.04997032       2.44751041      -2.32189721 
Hf       9.18720244       1.60694194       2.54042900      -0.47653857      -0.90243100      -0.79369768 
Hf       5.00896509       5.47659215       7.56231933       1.44133646      -3.05100704       1.64143022 
Hf       8.81627140       2.03046178       7.83754612       2.00682509      -0.42700372       1.30085789 
O      10.65939259       8.79259745       1.81906417       1.27569444       1.31703576      -3.18460040 
O       5.48016995       7.06190717       3.98245108       1.87857486       0.68415425      -2.57499144 
O      10.53960374       5.22841870       4.09095308       1.18289911      -1.22207649       2.27235062 
O       0.25762607       1.64349192       4.20348773      -1.51072969       2.14025993       2.31555906 
O       1.42145762      10.70435470       3.54344691       0.83246308      -2.63215991       1.73070462 
O       1.79800877      10.70811962       1.01523053      -0.66881192       0.02035123      -0.30369525 
O       1.81480487       3.98970322       0.64693164       3.12913359      -0.76253456       2.10077070 
O      10.91282317       1.84236206       9.68078776      -0.19898269      -0.22307222       1.00051704 
O       1.44910301      10.84915019       8.69000978      -0.81080049      -3.24037343       2.75355669 
O       1.81309354      10.53891198       6.16055565      -0.82748342       0.21908615      -2.89599664 
O      10.76837434       1.51517623       6.95767718       0.37242946       0.20490666      -0.71901947 
O       2.09498901       3.54369881       3.29731297      -0.28525497      -0.16167495       1.24980462 
O       1.67665475       6.81781757       0.77214838       1.74989741       1.38448891       0.51586990 
O       1.92026513       7.46257291       8.95317893       0.57523516      -0.48076395      -0.98825675 
O      10.93089619       1.95301601       1.73760671       2.26383835      -0.23582697      -0.44430973 
O       3.37741719       5.29963402       6.44266376       0.72501650       2.00140547       0.23631100 
O       3.15797749       1.45864185       7.15308348       3.60262976      -0.56719206      -0.36324675 
O       4.82971540       3.59036238       8.51784028       0.61154010       0.39354258       2.36939735 
O       0.00902380       5.03957747       1.71518749      -1.58122332       0.51594192       0.79139051 
O       1.72208862       7.18645552       6.37537379       0.70230565       0.73979831      -2.17518477 
O      10.76375167       8.97765656       6.91386806       1.79124282       1.01026526      -0.74534788 
O       3.33168794       1.68876124       4.74938519      -0.70471335      -0.98174985      -2.22758881 
O       5.30398377      10.81567774       3.51829413       0.18842109      -1.62661856       0.76541392 
O       5.35196327      10.91793141       0.79059565       1.90220694       0.12520365       3.06088055 
O       3.64483255       1.47338961       2.05517242      -3.01557337       0.13829218      -1.96633079 
O       3.35954872       1.68052473       9.72757545       1.02923737      -0.84962992       0.57138329 
O       5.52395943      10.78712389       8.95093727       0.05546648      -0.07901976      -0.08044964 
O      10.72612855       8.99120399       9.60028425       0.49076895       1.22018811       1.34441169 
O       3.64870944       5.61604987       3.71031222      -1.78104401      -0.26662819       1.31388427 
O       5.33479741       3.58602468       3.78813680       0.17460868      -0.74710107      -2.28983240 
O       5.44307633       3.19535147       0.44646232       1.33309742      -1.27311943       2.04525836 
O       9.12229077       7.11173308       6.03197961      -1.98439223      -0.75270398       1.95104958 
O       3.67961106       5.67733828       9.41853419       0.00961153      -0.49371159      -1.44359102 
O       5.08925483       3.56225860       6.32221264       1.29476869       0.63646980      -2.95835717 
O       0.16482590       5.46955643       9.39111499      -1.07436842      -1.56405792       1.13078389 
O       8.99595801      10.74661682       6.28257922      -1.27858848       0.63876123       0.77834998 
O       1.72397853       3.70600516       6.16377198      -0.12180576      -0.66929553      -0.85876597 
O       7.16937665       1.50155760       1.79842723       4.21541013      -0.65248507      -1.82042691 
O       9.17947978       0.22189877       0.85482616      -0.78279090      -0.41457246       2.95549130 
O       7.51616188       9.06309310       4.17047735      -2.35419427      -1.65728989      -0.37868765 
O       7.09681375       1.59359917       4.46259617       0.24665216      -1.04417942      -1.05023888 
O       3.78978854       9.09334809       6.48779641       0.16846587      -0.48256754       2.12433041 
O       9.22274864       7.39367523       8.69056535      -0.97485742      -0.41882277       1.03162153 
O       7.39733858       1.75513060       9.67293357      -0.16272903       0.11842183       0.68365016 
O       7.29059121       9.08196623       9.54263914      -0.26309810      -0.38988595      -0.57110451 
O       5.32182759       7.48477776       9.11893064       0.16514911      -1.02562153       0.36026849 
O       9.06612265       6.95653663       3.76517923      -2.54727473       1.46191387      -3.59260679 
O       5.25487931       7.19254870       6.35021166      -0.28063808      -0.35052629       0.44754994 
O       7.16754810       9.31956144       1.50955960       1.00575440      -2.20568867       1.13238998 
O       9.29717165       6.85964056       0.86091286      -6.99868432       0.05420912       3.03647755 
O       7.35060357       5.62972592       9.43749048      -0.68687098       1.63762023       0.96129772 
O       3.48709222       9.41277465       9.24031732       0.23646124      -2.86305948      -0.62870716 
O       9.06860396      10.77317285       9.27587675      -0.27015642       2.28706716      -1.79548351 
O       7.07673622       5.51218173       6.69897806      -1.13912647       0.36573036      -0.03760765 
O       5.37459399       0.37353956       6.24842006       0.68737103      -2.49176175      -1.59823430 
O      10.87542497       5.26179703       6.94865667      -1.09317862      -0.17082239      -1.00643621 
O      10.62479563       8.85815093       4.09777212       0.65896989       2.48793108       2.29392072 
O       1.15909605       7.10032044       3.38744997       3.42524196       0.11309828      -0.35261855 
O       3.74089224       8.87331885       4.02774805      -1.21169186       0.57553840      -1.15168883 
O       4.03590237       5.17890175       1.21362932      -0.86971631       0.19326468       2.35260051 
O       5.41841010       7.18234746       1.12285925       1.24333435       2.19650782       0.32647016 
O       9.35233402      10.80963222       3.80883317      -2.63910962       1.24654270      -2.50756912 
O       8.59492339       3.85401009       8.52536093       1.00146284      -0.57992576       1.31318824 
O       7.08417217       5.17628184       1.40268862       0.63572611      -0.08893081       1.82698359 
O       9.00130279       3.37786101       0.73123598      -1.04072711       0.86075324       1.49405507 
O       9.01621336       3.28701649       3.58405256       0.09403725      -0.88025805      -0.98203124 
O       7.55184908       5.02507195       4.30447694      -1.04052851       3.91364055      -2.36849843 
O       3.55221589       9.01568079       1.42647355       0.24075126      -0.53874987       0.10647343 
O       9.01880368       3.28607712       6.05481942       0.04437505      -0.15859038       0.40280049 
O       6.98616998       2.10177877       7.30580372      -0.32107502      -0.49010756      -2.46361227 
O       1.91002116       3.55088463       9.03492051      -0.01116390       1.72035163      -2.49979732 
O       7.17713317       8.89520346       6.59025922      -0.62120954       0.50441726       1.63067486 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007814681850586645 -0.0014847985104240015 -0.007574272344543752 -0.0014847985104240015 -0.005611963233810284 -0.006400800115832024 -0.007574272344543752 -0.006400800115832024 -0.016982095560983984" pbc="T T T" energy=-1061.36547922 free_energy=-1061.36548124 config_type=crystal 
Hf       1.78047095       1.65966824       3.05023485       0.26112686      -3.53962427      -3.69483670 
Hf       3.44345962       7.56614458      10.33845565       0.89527883      -0.57725297      -2.34470328 
Hf       5.44061900       5.28268662       2.69259440       1.03675989       0.93653929       1.19770115 
Hf       8.87735734       5.68645335       7.76135724       0.30193511      -1.36617894       1.92249445 
Hf      10.91300986       7.27485182       4.91896738       0.44412131      -2.71357167       2.18630336 
Hf      10.78810850      10.91898559       0.07014747       4.28353561      -0.76642528      -2.28685679 
Hf       7.06884582       3.38052705       5.32530034       2.87923219      -1.23074650      -3.19375647 
Hf       7.28138773       7.03413184       5.13501456      -2.04711280      -0.25094505      -0.75347029 
Hf       2.09052006       5.24524022       2.21463123      -2.61944543       0.30576236       1.71517136 
Hf      10.90829155       3.52501269       5.20692325      -2.72774980       1.52063281       3.86317921 
Hf      10.88518020       3.72352029       0.15352772      -0.33681451      -3.41711051      -1.32063082 
Hf       1.65444770       5.44173564       7.92169698      -1.57432592       2.98753005      -1.89337688 
Hf       9.28045159       9.38668129       8.04209464      -2.34431428      -1.22610192       3.02680219 
Hf       1.64251344       1.68157826       8.13884500      -2.58143806      -0.62805989       0.54232662 
Hf       7.25633201       7.37422208      10.61563329       0.05643395       1.76480473      -0.29243459 
Hf       8.94890002       8.88035074       2.79678485       2.66472871      -0.99963131      -0.05580253 
Hf       5.40154969       8.97093780       2.45640846      -1.08684045      -2.09593158       0.90399303 
Hf       5.50529589       8.97493214       7.89924555       0.25782900      -0.93136106       1.52951109 
Hf      10.74787873      10.91743751       5.27783463       0.69730064       0.49591567       1.65993065 
Hf       3.36188136       3.73870651       5.03222001       4.80992788       0.57846097      -3.60763164 
Hf      10.80967353       7.08680566      10.48502679      -1.15065023       2.37606079       1.42313019 
Hf       1.78065348       9.19822133       7.53427024      -0.28062468      -0.04133642       1.21978061 
Hf       7.33794622       3.72093501      10.35812004       0.27271029       0.00408760       1.99863944 
Hf       9.01690096       5.05296812       2.69532202      -0.68185867       0.95319795      -0.66209361 
Hf       3.50478080       7.21075681       5.21377811       0.43783169       2.92792175      -1.75878549 
Hf       3.77002895      10.92338859      10.50684186      -1.71047705      -0.51226685       2.41365327 
Hf       7.27900064      10.62087897       5.35526827       0.22938675       0.62011430      -1.45336915 
Hf       5.46409530       1.62372532       2.52847839      -1.28996469      -4.81081553      -3.21061087 
Hf       5.06920009       1.53096219       7.77634657       4.94450103       1.09920076       3.39321059 
Hf       1.63422764       8.97200787       2.48007988       2.61511274       0.08506119      -2.29528570 
Hf       3.80583272      10.81934351       5.11151246      -1.99378247      -3.04235609       0.12522269 
Hf       3.66435745       3.81037486      10.37752073       1.26876558      -2.08994319      -0.86787487 
Hf       7.34940312      10.93653743       0.15080340       0.85684348      -0.40445809      -2.92589887 
Hf       9.08655920       1.53860575       2.53875100      -1.07281344       3.46671387      -0.02939256 
Hf       5.13745235       5.43225837       7.46750503      -1.49618483       0.01625639       1.68423292 
Hf       8.81157500       2.03333094       7.87532010       1.08921849      -1.21843775       1.45771568 
O      10.87953862       9.04259037       1.48999310      -1.99478869      -1.27209778       3.01555186 
O       5.70499736       6.97212143       3.70347491      -1.63989304       1.65076191       1.13390811 
O      10.65424810       5.15821583       4.19366525      -1.14239330       2.00098658      -1.73374307 
O       0.03095344       1.76890821       4.44538325       0.62134161      -1.53028313      -3.18367613 
O       1.57207458      10.34928280       3.76946654      -0.90319205       2.12734126      -2.23463208 
O       1.71876830      10.76041732       0.92392636       1.17044263      -1.16131297      -0.32829426 
O       1.96286326       3.58788457       0.74552019      -0.61893245       1.90527237      -0.92349185 
O       0.12175173       1.89713636       9.66563740       0.67368005       0.64186177       0.09779910 
O       1.24341408      10.61278544       8.93564788       1.70546891       1.86549289      -2.31042963 
O       1.63891648      10.71716544       5.81838167       1.48947633      -0.02662133       4.44832375 
O      10.94388518       1.91636973       6.80317723      -0.37546282      -0.67375607       2.22962687 
O       2.35204734       3.51187481       3.32269576      -1.59279867       0.56001486      -0.47436108 
O       1.74515484       6.78500270       0.96353926       0.36167129       1.74553521      -2.68338740 
O       1.88306853       7.62367924       8.89310499      -1.55187589      -0.91848841       0.22728626 
O       0.37024191       1.99441764       1.78903193      -4.04271577       0.18994485      -1.03941840 
O       3.38961176       5.67671204       6.39475397      -0.17774194      -3.15090054       1.80508297 
O       3.44429009       1.42693179       6.95515683      -2.76543840      -0.74109665      -1.32302866 
O       4.91052664       3.59735319       8.53530606       0.83471135      -0.05323812      -0.11601072 
O      10.81892280       5.02469386       1.63628544       0.84217843       1.03498960       0.19078418 
O       1.55519971       7.41750617       6.10892847       0.71518084      -0.29167620      -0.55750864 
O      10.84060352       9.05923428       6.84294797      -0.78964269       0.34642469       0.98233698 
O       3.18034285       1.54280738       4.42569080       2.86841515       1.11444522       2.38850928 
O       5.48121745      10.48955290       3.85703515      -1.39806672       2.21146912      -1.03379702 
O       5.53478407      10.41919632       1.01851128      -1.05810542       1.47207717      -0.95637107 
O       3.48792192       1.27995815       1.91654199       1.35834228      -0.56744294      -0.32017780 
O       3.20863584       1.79954239       9.76251659       0.54635815      -1.31183015      -1.40748399 
O       5.53417711      10.86919857       8.96083776      -1.16778240       2.11232488      -0.02356284 
O      10.73114903       8.96657501       9.90774571      -1.31875264      -0.40759652      -2.09514965 
O       3.40814734       5.59300754       3.87036094       1.17019338      -0.76949060       0.66968180 
O       5.48867355       3.16492995       3.39394897      -0.61232608       5.75971013       2.85502220 
O       5.36903896       2.74330122       0.58781899      -1.33383913       1.19336986      -1.02001943 
O       8.92839576       6.91423924       6.26191432       1.24470477       1.33783495      -1.94665812 
O       3.32782792       5.72004214       9.01389199       2.46934654      -1.02404676       2.40516134 
O       5.26576727       3.85312955       5.73839398      -2.40293736       0.49352465       2.72002356 
O       0.21775576       5.35535645       9.45620730      -0.15193693       0.69960065       0.27369162 
O       8.84179986      10.93414048       6.72191342       0.92781568       0.66802023      -2.38614800 
O       1.84040761       3.58207044       5.88593258      -4.85378395      -0.01870063       2.68085925 
O       7.16320076       1.37689245       1.59257921       1.48871545       0.29595274       0.90612617 
O       9.17297805       0.22494333       1.04140455      -0.60519952      -0.05585574      -0.16472476 
O       7.22934969       8.88604008       4.19621526       1.33010921       1.45414250       0.97064867 
O       7.38489542       1.39028737       4.20119154      -0.92229604       0.30934813       1.52628373 
O       3.55030078       8.96547875       6.61114925       1.17553394       1.20493274      -1.48232042 
O       8.98879159       7.36193241       9.04190578       2.40087163      -0.82014719      -1.38798688 
O       7.54848953       1.87179393       9.64276262      -0.60564346      -0.73756788      -1.27204429 
O       7.35298716       9.17390471       9.41932573      -0.25787507       0.39640045       2.42271865 
O       5.54832678       7.36173706       9.29668089      -2.06794591      -0.18828919      -1.50678307 
O       8.44157105       7.00233589       3.34151239       1.99665149      -0.12598382       4.12619200 
O       5.32674015       7.30599490       6.46046436      -0.13225951      -0.65175323      -0.94562817 
O       7.66940049       9.21740803       1.51971901      -3.37905153       0.56247806      -2.24769947 
O       8.81446136       6.84810313       1.29576481       2.21469681      -0.02646663      -3.98431454 
O       7.50489385       5.70255845       9.66309271      -0.93488727      -3.51566169      -1.29165964 
O       3.70652666       9.26002095       9.07568315      -0.84518458       0.42934519       2.20970742 
O       9.24597974       0.10059602       9.21800705      -0.04313937      -0.40664471      -1.41037356 
O       6.94709475       5.31213087       6.81454728       2.64491965      -0.07686085       0.27667602 
O       5.53377163      10.83792828       6.17168857      -1.88788140       0.27987890       2.81479768 
O      10.73205290       5.26045306       6.61742408       1.01203658       0.26251325       2.41898174 
O      10.30445457       9.16845673       4.55452055      -0.20741990      -4.45143426      -1.77185389 
O       1.44960775       6.96054861       3.42866073      -1.97247863       2.20247931       1.10538744 
O       3.53557000       8.70345297       3.63748348       0.96118612       0.20026792       1.53636381 
O       3.86472571       5.08162025       1.46498710       0.97414257      -0.03335353      -2.84210491 
O       5.57181546       7.30627636       1.28827593       0.88923787      -0.87974291      -1.14657684 
O       9.21917468      10.84400711       3.42817084       0.25329297      -1.53506117       2.71177221 
O       9.08473919       3.80020210       8.99891551      -0.31492757      -0.01155150      -1.16012720 
O       6.75315438       4.73329975       1.43962875       2.04549714       0.34362075      -0.48398997 
O       8.96699013       3.35203389       0.96950500       0.39972107       0.75117130      -0.02402434 
O       8.85188738       3.28947261       3.58818778       0.52093070       0.40661718       0.75232260 
O       7.16278969       5.19135247       4.12719670       0.74149318      -2.03930549       1.28506065 
O       3.66630280       8.86206310       1.18620044      -1.88603495       1.05071439      -0.11001829 
O       8.82487997       3.38280798       6.31209213       0.79838341       0.49358775      -0.11269333 
O       6.93619616       1.78360240       6.92265696      -0.14208978       1.36671337       0.00125332 
O       1.93953093       3.68569678       8.36215721       0.59516815      -2.82243366       1.53615266 
O       7.29285910       8.84837346       7.10436546       1.41809560       0.83524862      -2.63162430 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.026216728333625677 -0.0029080911489480646 -0.0012056549914175355 -0.0029080911489480646 -0.028453789737137077 0.008876164147807293 -0.0012056549914175355 0.008876164147807293 -0.004430793395584168" pbc="T T T" energy=-1058.1945329 free_energy=-1058.19458062 config_type=crystal 
Hf       1.56563858       1.80182913       2.69615682       1.25737578      -0.99536359       1.83090139 
Hf       3.47126935       7.16688318      10.25665593      -0.15197771       1.35516891       4.04627674 
Hf       5.33695026       5.78729555       2.86402827       1.69665822       0.77266005      -4.91644873 
Hf       8.85532921       5.40402334       7.68021885       3.28532479      -0.99398571       1.73145309 
Hf      10.70486186       7.16122616       5.24421999       2.40277645      -2.78987219      -0.06585405 
Hf      10.92004044      10.71615749      10.44518898      -3.54262563      -0.85406609       2.01668189 
Hf       7.41266657       3.44702920       5.31841445      -0.07502688       0.13369414      -1.18041869 
Hf       7.22249003       7.53799292       5.17890276      -2.28599600      -2.36160776       1.71453210 
Hf       1.95688655       5.74527052       2.88236170      -0.94788772      -2.46047613      -3.38235561 
Hf       0.36140557       3.60631081       5.42622174      -2.94344360      -0.26107054       2.27811204 
Hf      10.92762648       3.32742156       0.05963602       0.23597847       1.50471465       0.27322064 
Hf       1.64953459       5.15747356       8.30560519       0.18065913       1.90959754      -3.68538708 
Hf       8.91794198       8.83175288       7.80217281      -2.70536837       0.30163768       3.35670049 
Hf       1.76208416       1.65657623       7.69222558       1.41935867       2.83945619      -1.63464744 
Hf       7.37598381       7.07578930      10.55345428       0.79961028       3.54443642       2.27806822 
Hf       9.13290626       8.54486203       2.57716867       1.33390008      -0.38543776      -0.49170689 
Hf       5.10222596       9.25746579       2.40080688      -1.31949602      -3.65140052      -1.67367593 
Hf       5.30070300       8.91720585       7.85313631      -0.54141884      -1.24327976       0.84841924 
Hf      10.72619702      10.68234092       5.25068646       2.97754516       1.21433675      -2.93458461 
Hf       3.75091610       3.82354047       5.21434442      -0.87015351      -0.60304015       1.01192712 
Hf       0.12313175       6.78546757      10.59649035      -1.39640465       3.39277959       3.77099551 
Hf       1.69136493       9.24372576       7.64801266       1.86380712      -1.73575039       2.25646698 
Hf       7.02598792       4.13892832      10.10301713      -0.86595693      -5.07740948       2.82485671 
Hf       8.79035969       5.10431034       2.68743976      -1.08248148      -0.61468419      -1.90903461 
Hf       3.38125606       7.49989770       5.36144967       0.62761021      -3.27076949       1.80387852 
Hf       3.27767365       0.02683212      10.28743315       0.82873588       2.43838201       3.67248859 
Hf       7.65274672       0.14279546       5.07689328      -3.25998221       0.12547874       0.60439528 
Hf       5.45557756       1.72762217       2.32476818      -0.97764874       1.94267028       0.59562942 
Hf       5.50400604       1.46219894       7.80912449       0.38998001       2.20201246      -0.38626551 
Hf       1.67063618       9.10158766       2.39751338      -1.37128520       0.62768665      -0.10370921 
Hf       3.84788437       0.06712522       5.26465403      -0.15242115      -1.17711646      -0.11217770 
Hf       3.60480732       3.53855015       0.22259964       2.00212060       1.29688613      -1.07840167 
Hf       7.05052673      10.82255844      10.56133929       4.40987147       0.65457948      -3.80680365 
Hf       8.90672786       1.68034812       2.31153030      -0.58740394      -0.05003385      -0.78723432 
Hf       5.43295923       5.50502221       7.66505307      -2.86573094      -1.02194254      -0.40272981 
Hf       9.04649300       1.30788565       8.08232157      -2.33561952       3.11739700       0.64444093 
O      10.75349707       9.01360189       1.52961184      -0.62038039      -0.43782250       1.06769907 
O       5.73179399       7.74005179       3.70878505       1.60562811      -1.43129977      -0.13607622 
O       0.38012839       5.20328323       4.47797177      -0.98028038       5.52521750      -1.88267643 
O       0.08426610       2.06070736       4.45681495       2.07546396      -3.45089464      -1.50807976 
O       0.95632262      10.85960714       3.27176032       1.06506206      -0.29019194       1.67138983 
O       1.49433442      10.81689364       0.94990895       2.35063666       0.91071365      -0.94006219 
O       1.96899676       2.81463036       0.92917676      -3.35326810       1.60646142      -1.33534593 
O      10.38733496       1.75907641       9.56684052      -0.34450532      -1.16764981       0.40121963 
O       1.50769964       0.17233459       8.95112636       0.06423531      -1.00111101      -0.12749745 
O       1.76130015      10.85468910       6.17135609      -2.58028433       0.35587433       0.18969867 
O      10.78753277       1.95220812       7.05586512       0.95737334      -1.37354505      -0.27696864 
O       2.16829692       3.82990360       3.61941461       0.22487842      -1.50918060       0.75409363 
O       1.79014883       7.30005106       1.13451810      -0.45737517      -1.21115721      -1.64735682 
O       2.01069059       7.19063995       8.76256004      -1.92258459       0.23124379       0.53297383 
O      10.68448874       1.89503631       1.51294334       1.38689070       0.82507230       0.15197879 
O       3.74423075       5.52574899       6.45704459      -0.88477610      -0.47170931       1.21886715 
O       3.78994619       1.84904270       6.69700223      -1.16767504      -0.66934863      -1.47303047 
O       5.31067087       3.82735414       8.76726656       1.04020292      -0.42228205       0.51067995 
O       0.54829105       5.13066982       1.49798685      -0.34650150      -0.87912503      -0.54084224 
O       1.61974413       7.48061612       6.25699065      -0.61084184       2.38042652       0.42547493 
O      10.71681858       9.29220124       7.23313548       2.14885848      -0.22689703      -1.84360459 
O       3.16075889       1.26350716       4.05488750      -1.95194669       2.61176530      -2.11663103 
O       5.46939253      10.93107083       3.42987509       0.61705726      -0.04448503       0.01071255 
O       5.37768270      10.32278428       0.66453709      -2.01186603       1.08625474       1.18047211 
O       3.56785405       1.46073751       1.51891471       2.64662417      -0.88684104      -0.35058901 
O       3.90806874       1.61813075       9.12854722      -2.30470535       0.25509734       2.51862969 
O       5.42228545      10.68323504       8.50670268       0.00095246       0.88864823       2.59571017 
O       0.09639264       8.85076943       9.89557583      -0.02805570      -0.44300783      -2.81119519 
O       3.86550140       5.96438077       4.08104760      -2.40951395      -0.57916838       0.73355710 
O       4.89332999       3.27197248       3.75278900       1.87349994      -0.41608184      -2.53819908 
O       5.43515536       3.41663769       0.99584525      -0.09037737      -0.75355880      -0.57833959 
O       9.06556663       7.21804145       6.47422031      -0.49895234       1.96500029      -0.36288479 
O       3.35349761       5.27566492       9.53386501      -0.99063652      -2.11852194       1.12669703 
O       5.61936143       3.85215031       6.11551834       0.82232028      -0.12628591       0.45450448 
O       0.00565998       5.23351522       9.54423880       0.91968766      -2.45499059       0.03833282 
O       9.02815770      10.67880827       6.68976261      -0.25528594       1.45286997      -4.40331885 
O       2.03511984       3.64091786       6.44745829      -0.25981361      -0.47777265       1.04827916 
O       7.25638252       1.48412682       1.11223280      -2.86166544       0.96651348       3.10651406 
O       8.97386908      10.92854656       0.85893767       1.01581610      -1.11561289       0.39647172 
O       7.97539303       9.06119935       4.42576020       0.14085775       4.19460629      -0.74972099 
O       7.39683296       1.90067252       3.79110527      -1.36798320      -0.90177883       2.24709477 
O       3.69685755       9.79362318       6.83905850      -1.96878790      -3.92990570       2.33631548 
O       9.11034862       6.80713525       9.24440566       0.33841846       2.84363469       0.20350841 
O       7.08230560       1.55246761       9.26077443      -0.09898088       0.77174084      -0.14082695 
O       6.88112583       8.86526488       9.55105954       0.38176936      -2.06397368      -0.03479529 
O       4.66976744       7.17089581       8.72151169       2.10559985       0.31852692      -0.77516816 
O       8.95818348       6.87607774       3.94280406       0.20481901      -0.53593872       0.34619988 
O       5.14432965       7.57458245       6.24120191       1.90162795      -0.08241720      -0.14281438 
O       7.54607483       8.30190593       1.50355836      -0.85652051       2.52988043       0.87848267 
O       9.36870403       6.52611593       1.49756307       1.73334048       3.24753421      -2.67968911 
O       7.00686181       5.78708815       9.14600185      -2.07971238       0.43881662      -1.35499194 
O       3.19413426       9.29475136       9.61072107       0.09073550      -3.57376188      -3.15744035 
O       8.58919449      10.60936169       8.99257011       2.00724608      -1.74075115       0.08445313 
O       7.16589374       5.73902517       6.79114392      -0.27439114       0.64071430      -3.25257284 
O       5.65321438       0.03942659       5.94167360       2.64008816       0.76440179      -0.39534694 
O      10.92223876       5.65627494       7.13284459      -0.00495861      -0.53849024      -1.03764553 
O      10.60790082       8.84212372       4.14456565      -0.63832840       2.12532117       3.12462094 
O       1.38505051       7.45730143       3.60257742       0.68238511      -0.63456986       1.45379058 
O       3.49554007       8.89145136       4.18059871       0.23526189       5.20937809      -3.27922333 
O       3.73127769       5.40139444       1.55287692      -1.29924005      -1.78479376      -0.02129005 
O       5.06533547       7.42928014       1.14110563       1.31988601      -0.79220393      -0.53998510 
O       9.48540888       0.29930850       3.66609750      -2.65361193      -1.35557227       2.32002843 
O       8.53463285       3.83345641       8.87159359       0.77483957      -1.10278263      -1.47927587 
O       6.95602280       5.56602445       1.23130928      -0.60791475      -0.28604740       0.06281432 
O       8.62332616       3.89027072       0.71397565       3.06695645      -1.15887624       2.07430154 
O       9.31288902       3.40344010       3.50472610      -0.88205633       0.84414014      -0.51062231 
O       7.08965641       5.14169189       3.81790491      -0.60390348      -0.51989382       1.61340682 
O       3.37111146       8.98707401       1.37512220       0.21358786       2.63903790       1.94836730 
O       9.15204081       3.82176691       6.25296789      -0.87596062       0.49582297      -0.97903271 
O       7.26863396       1.64454578       6.68989303       2.76738605       1.43177399      -2.02918214 
O       1.45342570       3.34104184       8.91742478       0.25515698      -2.67945724       1.67413025 
O       7.00303028       9.07375219       6.98142449       4.06672120      -1.64176054      -2.24130539 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003837284847490892 -0.00018263550734743064 -0.005724495415131202 -0.00018263550734743064 -0.008443307113822043 0.010125383019195284 -0.005724495415131202 0.010125383019195284 0.008511914325145045" pbc="T T T" energy=-1063.7338588 free_energy=-1063.73387764 config_type=crystal 
Hf       1.74115031       1.76271566       2.58186977       0.43630539      -0.80324525       0.94138937 
Hf       3.59271420       7.14310482      10.08134439      -0.75532559      -0.52036183       0.36431097 
Hf       5.29814466       5.36645116       2.23793638       1.17477481       2.02959990       1.19613514 
Hf       9.20318615       5.30140769       8.01611290      -1.74449796       2.16486498      -0.52387559 
Hf      10.87100478       7.23889521       5.40382176       6.12983579       0.94045929      -0.91507715 
Hf      10.70552448      10.62644878       0.11732822       1.45356271       1.00833388      -1.49982430 
Hf       7.35587012       3.86814377       5.21737390       0.12065270       0.06452566       3.09172479 
Hf       7.41785106       7.56425861       5.02427643      -1.91651647      -2.69641196      -0.30953173 
Hf       1.89955983       5.18912282       2.48162618      -0.63781683       5.91528883      -0.12040354 
Hf      10.92482229       3.75440339       4.93420373      -0.74211772      -3.20916812       0.63833507 
Hf      10.84087238       3.59310248       0.19478918      -0.68186677      -1.75451969      -0.76726317 
Hf       1.78094184       5.00133117       7.81334155      -1.20151090       3.09727729      -1.42756744 
Hf       8.79381017       8.95932356       8.00560305      -1.07669586       0.80491430      -0.12661718 
Hf       1.81572670       1.61895826       7.93284106       0.92606002      -2.52603041      -0.17009362 
Hf       7.23917141       7.32799357      10.60687829      -0.71889621      -1.05892495      -2.41663952 
Hf       9.01096489       8.77703292       2.40500023       0.62141658      -0.87259442       2.15616270 
Hf       5.26000770       9.19008201       2.46750258       0.81334992      -2.42177329       1.25209128 
Hf       5.48221017       9.12132215       7.73831569       0.54781914       0.21925973       2.75297428 
Hf       0.14266991       0.03772217       5.47320139      -1.44857393      -1.67389776      -0.81250858 
Hf       3.51490282       3.38306467       4.87415711       0.00550214       1.36367024       2.56194102 
Hf       0.12725416       7.15783341      10.59877134       0.00944355      -1.88189337       0.99437872 
Hf       1.47550686       9.06602229       8.24686073       0.35000979      -0.04207326      -3.21989120 
Hf       7.26752094       3.53524647      10.35794541       0.57511999       2.38974990      -0.42317867 
Hf       8.83576738       5.19727485       2.39487175       0.01523844       1.17639042       0.81894293 
Hf       3.46696780       7.24258716       5.02728284      -1.85128351      -1.82187354       1.88503286 
Hf       3.57681650      10.84249924       0.23054429      -1.72106180       0.02064493      -1.41151234 
Hf       6.95943920       0.06291132       5.10291084       3.98006865       1.41833316       1.96745275 
Hf       5.41934804       1.85482933       2.80088265      -1.33897682       0.73305269      -3.62846091 
Hf       5.52637140       1.93630406       7.82969894      -0.60289067      -0.88712382      -0.26985183 
Hf       1.70683053       9.20639013       2.89682681      -0.61783199      -4.31247553       2.94927584 
Hf       3.60598761      10.72943584       5.41983509      -1.60319208       0.20818957      -0.33211650 
Hf       3.64546822       3.42495297      10.37831503       0.68983905       1.33122475       1.01928009 
Hf       7.25414859       0.02998909      10.48152146      -0.06265474      -1.12826930      -1.37244576 
Hf       8.90622837       1.45039604       2.66643888       1.05430916       2.35582948      -1.06351161 
Hf       5.30836146       5.55964214       7.21940270       1.37643231      -0.75656603       0.76069931 
Hf       9.02279178       1.65227436       8.09082669      -0.23251269      -1.52758549      -0.79966483 
O       0.01159430       8.49634502       1.67491410       0.93231361       0.79951920      -0.02865000 
O       5.43393464       7.30514516       3.42291894      -0.14783104       0.48495046      -1.80810452 
O       0.25302608       5.50341661       4.37643059      -1.43868298      -0.12113196      -0.60768580 
O       0.36965391       1.64091145       4.19284873      -0.90897020       1.83535518       0.73370547 
O       1.72118716      10.64569792       4.26843952       1.39530154      -0.47600755      -0.29923850 
O       1.52694835      10.60488102       1.58818135      -0.36821708       2.92077379      -2.71354077 
O       1.66818368       3.80982344       1.01051157       0.37567475      -2.36612592      -1.37078336 
O      10.45419482       1.42382609       9.78155504      -0.82965119       1.51710139       0.10925115 
O       1.52562169      10.78899430       9.35643235       0.28692033       1.02861491       0.66287148 
O       1.75781285      10.80581964       6.78547665       1.58674621      -0.49512955      -0.49851712 
O      10.92233473       1.55666869       6.95501855      -0.95596490       0.48798294       0.67438130 
O       2.12136010       3.58857864       3.42500595      -3.45128447      -3.70034884      -0.20879492 
O       2.02675263       6.67588609       0.84425329      -0.81025983       2.56167057      -1.65766979 
O       1.70529285       7.18471812       8.87703979       0.56418047      -0.48608744       1.64358403 
O       0.04734460       1.93552202       1.67882419      -3.22658294      -0.51412020      -0.99270366 
O       3.40316587       5.84552220       6.74440778      -1.70496775      -1.53111453       0.90206326 
O       3.64306578       1.92284144       6.71752619      -2.91253928       0.54910009       1.74268478 
O       5.15365047       3.69419546       8.96712662       1.08619447      -0.36890357      -1.85855173 
O      10.77001105       5.38951759       1.75701824      -0.80564721      -0.38098981      -1.29507566 
O       1.88213014       7.89289512       6.31729162      -2.04946414       0.50765064       0.44182145 
O      10.34523707       9.48997468       7.04479842       3.35596271       0.66974585      -1.09330482 
O       3.09631449       1.59187273       4.08913818       2.94375757      -0.57921559       2.54336096 
O       5.13966996       0.06389923       3.82021098       1.45769054      -1.23269506      -1.47846129 
O       5.48550103      10.67889625       0.52471589      -2.33553456      -0.39970339       1.72411790 
O       3.62403149       1.48221872       1.73626405       0.15631991      -0.65685460      -2.38365559 
O       3.55242318       1.53003630       9.63364124      -0.07561576       0.42456920      -0.93354839 
O       5.88849086       0.05412615       8.63145143      -1.38193217      -1.63239135      -0.26340677 
O      10.82879569       8.86286847       9.63429513       1.35461063       1.38313842       0.24726823 
O       3.18604698       5.32699477       4.16354277       2.20780013       2.17251374       0.11319199 
O       4.60814005       3.70225535       3.11099701       2.43249944      -2.66120516       1.01645321 
O       5.53753983       3.41598285       0.67502228      -1.63861872      -0.52495751       1.67525354 
O       9.13106489       7.19996723       6.03574631      -4.31431931       0.50368218       0.71171525 
O       3.14325252       5.04581396       9.20462525       0.76651058       1.31115163       1.46463101 
O       5.32139932       3.81176309       5.91926076      -0.02894332       0.69539062      -0.73743794 
O      10.70122457       5.29948009       9.65318127       0.62242890      -0.61794738       0.70791551 
O       8.10198490       0.15655839       6.80459641       1.28921993       0.00327600       0.09016026 
O       1.73124992       3.79405162       5.97518748      -0.37712097      -0.15366166       2.76826475 
O       7.09000449       1.49909787       1.47772819       0.43188458      -1.47529729       0.94255451 
O       9.13277599      10.57136267       1.50200546       0.46899527       2.79358804      -0.90554797 
O       7.58525973       9.36708156       4.05866962      -1.44877758      -0.96075771       0.61602335 
O       7.01462184       2.15846621       3.94989870       0.91443875      -1.05075141       1.17596958 
O       3.94517913       9.05675132       6.60487495       0.24057631       1.89193314      -1.63380354 
O       9.15172998       7.28148250       8.83328296      -0.20427573      -0.98045747       0.30673172 
O       7.21242738       1.69988475       9.29329226       1.35219947       1.60481579       1.73060624 
O       7.09871166       8.98037891       9.46688530      -0.45022529      -0.21608835       0.35372668 
O       5.44539944       7.17795827       8.43147487      -1.33615207      -0.20041928       2.25596993 
O       8.73998444       7.04481493       3.50123990       0.68420122      -0.37065012      -0.92805407 
O       5.41340824       6.98667779       5.89284281       1.75115682       0.15213935      -1.08272485 
O       7.09225069       9.04267615       1.60510974       0.36447507      -0.63877314      -0.74395589 
O       8.99855722       7.54410363       0.84309504       0.21768747      -1.74004088      -0.45997772 
O       7.65579062       5.53918784       9.50190318      -1.36725433      -0.70249605       1.54804748 
O       3.60051509       9.16729375       9.16218982      -0.38935590      -1.11058884       1.66534417 
O       8.99775140      10.52137789       9.38521079      -0.09735814       1.05728076      -0.04804811 
O       7.42143313       5.22192300       6.84663655      -1.46777687       0.41235155      -0.73838205 
O       5.36505394       0.58072256       6.22239485       0.13534833      -2.82894416      -1.20641016 
O      10.91002128       6.14135107       7.23818021       2.55106273      -2.43146289      -0.36273804 
O      10.93312727       8.99051387       4.32636896      -1.60738765       1.46126453      -0.66771775 
O       1.69328234       7.18137238       3.93903927       0.95429344       1.65097576      -3.11339789 
O       3.64186775       8.92385296       4.04033364       0.08054452       3.57595605      -1.18342820 
O       3.61567447       5.09076128       1.24082659       1.50071095      -0.05139897      -0.11510348 
O       5.28404254       7.24695434       0.69875269      -0.41895961      -0.79855265      -0.55921022 
O       9.05679690       0.30240543       4.22225514      -0.21091937       1.06431151       0.12976695 
O       8.87458142       3.54049648       8.90017147       1.13365524      -1.92877472      -0.23144636 
O       7.13600555       5.25830141       1.35375323      -0.00719716       0.84727923      -0.68029898 
O       8.79151653       3.22637503       1.04397538       1.12815495       1.51662258      -1.38308605 
O       9.34496852       3.55923726       3.32040468      -0.08510837      -1.07266229       3.02935126 
O       6.92419551       5.32661470       3.90509205       1.00910702      -1.41030263       0.46223061 
O       3.63389452       9.18573544       1.42380748      -1.75981005      -0.59461298       0.20461663 
O       9.37853397       3.91023179       6.21906840       0.51241152      -0.51546881      -1.00926314 
O       7.09178571       2.31326912       6.77674811       2.09320247       1.46260523      -0.26097653 
O       1.39565646       3.07135278       9.15834860      -0.03917614       2.26862305      -0.83666120 
O       7.20311105       8.73586367       6.66581090      -1.10707658       0.92196244       0.17844749 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0011530457603841227 0.003132364287961029 0.005591369592902251 0.003132364287961029 -0.03297013375068718 -0.001210533860512565 0.005591369592902251 -0.001210533860512565 -0.001385587101434254" pbc="T T T" energy=-1061.48945138 free_energy=-1061.48945564 config_type=crystal 
Hf       1.68021183       1.74036991       2.54881475      -0.07022188      -1.74461540      -0.48159989 
Hf       3.63831329       7.08288331      10.10182424      -1.14179715      -1.00183195       2.46279157 
Hf       5.27739202       5.24169409       2.15396706       1.41426325      -0.39397876       0.01991316 
Hf       9.27481232       5.33631898       8.17731443      -0.90181119       1.33643479      -1.37725903 
Hf       0.02976953       7.35187283       5.37420554      -1.12260455      -0.52822059      -0.51786728 
Hf      10.70343922      10.66904319       0.13028433       2.70975069       2.81339601      -0.47994586 
Hf       7.29778842       3.85447703       5.34299188       1.85782323      -0.93538479       0.91012300 
Hf       7.38006546       7.39437641       4.93627076      -1.37165488      -3.37208525       1.09253729 
Hf       1.90613857       5.13657423       2.38387754      -1.06554147       4.70447131      -4.36530495 
Hf      10.78571286       3.73124197       4.80399955       0.97219274       1.35388778       3.64992035 
Hf      10.74959729       3.58845790       0.12716780       4.66109454      -2.20510703      -3.57438401 
Hf       1.79855635       5.09882719       7.77670753      -1.26440961      -1.03031357       3.45929486 
Hf       8.81349504       9.09312185       7.97423676       0.99973736      -0.47535114      -1.97381020 
Hf       1.89577781       1.52663095       8.02814779      -1.66813092       1.36010280       2.02270101 
Hf       7.19569439       7.31259611      10.55907723      -0.64486296      -2.96265190      -1.62413225 
Hf       8.96120701       8.85557999       2.38464751       2.18536085      -0.95053661       1.20641536 
Hf       5.35031648       9.11049598       2.48855725      -2.67319679       2.79023532      -2.53297961 
Hf       5.55643773       9.27979675       7.86576782      -1.25967759      -3.82664108       1.77304529 
Hf       0.14876911      10.91682014       5.60120208      -1.03665094      -0.21896005      -1.45654853 
Hf       3.40537504       3.48318444       4.94924738      -0.47977109      -0.04745661       2.12333896 
Hf      10.90045100       7.21114673      10.51254240       3.05224864      -2.81836826       1.16764550 
Hf       1.39302341       9.06141036       8.30220072       2.04656302      -2.07238851      -1.39125059 
Hf       7.41312300       3.55319120      10.36204469      -2.40789786       1.18789366       0.90035949 
Hf       8.93167938       5.30158222       2.23599680       0.36015465      -0.83013092       2.08867419 
Hf       3.51954236       7.19188937       4.95614847       0.70543379       0.75246797       2.36980107 
Hf       3.49285946      10.83011983       0.22109553      -1.77219008      -0.16326658      -0.32074571 
Hf       6.94582572       0.00296864       5.19587781       4.05640172       1.40019706      -0.23312525 
Hf       5.55615780       1.82295350       2.73599580      -0.29730892      -0.22289904      -2.90026628 
Hf       5.43569264       2.02861340       7.81947544       0.46165520      -2.81461317      -0.59460583 
Hf       1.74554914       9.09596635       3.06595652      -1.10335789       4.51622026      -4.96837015 
Hf       3.52480179      10.57975650       5.51954882       1.22461388       2.84078992      -3.72934933 
Hf       3.58242049       3.47370925      10.26181344      -0.46156353      -0.19064320       0.92700851 
Hf       7.26252073      10.83377475      10.49092833      -0.97185864       2.79408487       1.41366342 
Hf       8.97175665       1.61524856       2.73988197       1.22630099       1.20728845      -0.66053522 
Hf       5.29832379       5.38948122       7.24381953       0.59187885       2.46664924       2.33996122 
Hf       9.06920643       1.73692589       8.12257572      -0.15286205      -1.85192085      -2.18077693 
O       0.24510018       8.51336583       1.67705212      -2.01320366       1.29449031      -0.73597375 
O       5.66406005       7.38327897       3.02499607      -0.08955276      -2.86825526       1.81873142 
O       0.10056359       5.57246033       4.02526639       0.47020745      -0.44183349       0.86676327 
O       0.09926191       1.98162717       3.96828528       1.37246449      -2.75395084      -0.41839071 
O       1.67848637      10.78817117       4.17152292      -0.08146943       0.15571597       1.13199780 
O       1.34012631       0.00594900       1.52747382       1.83942324      -1.31611130      -0.11764424 
O       1.94522126       3.55076148       0.85328624      -3.02770096      -0.91879138       2.16222658 
O      10.41312691       1.87143939       9.46775656       1.72868966      -2.28717532       1.87335808 
O       1.41366112      10.85066255       9.51047749       1.34525540       0.12999307      -1.45264583 
O       2.05828422      10.80275985       6.74083516      -2.56034358      -0.40073330       1.57723938 
O      10.92639996       1.51179521       7.02244776      -0.39768850      -1.26184807      -1.12798893 
O       1.93581148       3.54585363       3.35657336      -0.12650239      -0.31121752       2.62252693 
O       2.01942219       6.68792827       0.73583717      -1.51292765       0.62023346       1.24439199 
O       1.45723696       7.07248354       8.97721237       0.96869993       2.16462709      -1.24006330 
O      10.71578126       1.76616286       1.19075592       0.52987800       0.47980456       2.91843079 
O       3.26578968       5.40387247       6.58204407       2.49612110       2.49224836      -1.02768660 
O       3.39588747       2.15492808       6.96931796       2.44209163       0.65612756      -1.16046050 
O       5.29721866       3.71326361       8.76494593      -0.11993305       0.92970111       0.05274592 
O      10.83760705       5.15606002       1.45969067       0.37539002       0.83832108       1.32171296 
O       1.47048814       8.11579965       6.38214160       4.92548223      -1.10480063      -0.94360616 
O      10.66292722       9.22112945       6.83998577      -2.06083549       2.47629352       2.61117320 
O       3.24248769       1.65505587       4.29107557       0.05373695      -0.34005766      -0.21459834 
O       5.20527328       0.16803447       3.74508712       2.22588502      -1.92513540      -0.57253396 
O       5.36391057      10.60333502       0.59581157       1.12529027      -0.01991837       1.23519121 
O       3.72132197       1.62697203       1.28436978      -0.60641743      -0.62909629       1.72504726 
O       3.53072384       1.46443473       9.37500620       0.99947539      -0.15666754       0.11377722 
O       5.63468110      10.90770310       8.76106847       0.54759748       3.40698151       0.62169597 
O      10.82109505       8.88658755       9.49866197      -0.63922547       1.51223456       1.33310716 
O       3.52065812       5.46734792       4.09762937      -0.42711713      -0.14837884      -2.83369117 
O       4.81674722       3.46635953       3.33194342      -0.13352813       2.20360562      -0.02839447 
O       5.56804101       3.58571923       0.84999411       1.10997102      -0.83766639      -0.52569046 
O       9.05577591       7.40524991       5.90188543       0.38425154      -0.44073897       1.05988716 
O       3.22409081       5.32202984       9.40524794       0.31550489      -2.13600688      -3.53377096 
O       5.29897250       3.88342969       5.86508252      -0.13637935      -1.11706139       0.66730275 
O      10.84216278       5.32130225       9.60147863      -1.16681129      -0.15399650      -0.61981158 
O       8.22273360      10.77747790       6.84016976       0.38012159       1.09960052       0.45305366 
O       1.51587074       3.80215709       6.20015569      -0.57386879      -1.19309316      -1.57427500 
O       7.28469819       1.47404621       1.52113341      -0.87261619       0.17052210       0.68907225 
O       9.10857101      10.81627605       1.28614089      -0.75303749      -1.90530382       1.34749604 
O       7.46127725       9.22628381       4.32188171      -0.18780249       0.99271836      -2.88342541 
O       7.15007404       2.15752641       4.11989138      -1.59678310      -0.76529041      -0.16708769 
O       4.09705240       9.08558434       6.62427628      -1.23640213      -1.69188148      -0.81259782 
O       9.07041094       7.26752335       9.00235187      -0.47021705       0.50809296      -1.19641625 
O       7.28134336       1.75820332       9.42968380       0.04115030      -1.28417523       0.24536001 
O       7.11662680       9.11191774       9.64611022       0.62669170      -1.76202197      -2.76237756 
O       5.57570670       6.96939876       8.82102581      -0.81617441       0.47034191      -1.91476119 
O       8.96682218       6.98543692       3.25637761      -1.34984514       2.44031911       2.00699617 
O       5.43790586       6.81444027       5.61174902      -1.30597696       0.14955478       0.22823079 
O       7.17206887       9.16450216       1.50208730       0.91266574      -0.62156180       0.35253055 
O       9.05677959       7.36997060       0.93193520      -0.68263331       0.34595090      -0.60038016 
O       7.75198091       5.38717005       9.77752165       0.23181062       0.76375396      -2.53986662 
O       3.38886588       8.84637038       9.43574839      -0.45589937       3.83847580      -2.19651541 
O       9.22786816      10.58669701       9.28620569      -2.13460865       1.19966634      -0.44317297 
O       7.23747696       5.56714130       6.98463870       0.95381148      -1.20454382      -0.98102809 
O       5.33782883       0.33664600       6.24602216      -0.42432157       0.60224696       1.21463804 
O       0.23384443       5.96116343       7.09642485      -3.47037092       0.37955947      -1.86201110 
O      10.63550753       9.30433666       4.42067380      -0.09538171      -1.63896638      -2.29450318 
O       1.75877807       7.39438320       3.73166737       0.73864952      -3.53162940       2.07906362 
O       3.67802857       9.26948157       3.91570681       0.09295711      -2.62433935       2.02171413 
O       3.65616193       5.00295398       0.98360851       1.83067132       1.74986016       4.38899809 
O       5.29665300       7.26052783       0.55041734       0.87296290      -0.19953431       2.25912509 
O       8.95369042       0.59757344       4.36731038       0.26698817      -1.78303820       0.32269279 
O       9.13882404       3.53005169       8.94218461      -1.40624943       1.96323903      -0.23057392 
O       7.20375779       5.42282219       1.28326978      -1.26423662       0.64484192       1.78774759 
O       9.01358019       3.56983971       0.83804765      -3.03815617       0.14136453       2.64027895 
O       9.32608355       3.50925040       3.52451326      -2.68515846       1.61104353      -2.38971891 
O       7.06848986       5.18117457       3.92470808       0.48856530       1.27907821      -0.55815724 
O       3.48904195       9.07349713       1.47286053      -0.41729470       0.93009237       0.98253074 
O       9.18372709       3.81117761       6.22245586       1.85351132       1.08551863      -0.75742853 
O       7.32463402       2.54306629       7.04485635      -2.32983803      -1.35702607       0.05073900 
O       1.68138204       3.24760414       9.13629013       0.26938820       0.83158573      -2.14642902 
O       6.95841624       8.70272418       6.69357204       1.17700617      -0.28746399       0.20569088 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.010311623597247788 0.005998316143947568 0.007335594276822942 0.005998316143947568 0.0033029181560255607 -0.002620258257110127 0.007335594276822942 -0.002620258257110127 0.022777097516114248" pbc="T T T" energy=-1063.35707275 free_energy=-1063.35709699 config_type=crystal 
Hf       1.63691799       1.69574853       2.51310067      -1.19800994       1.27285442       0.49582313 
Hf       3.64981019       7.03696956      10.14717818      -1.42786272       1.01261045       1.05679201 
Hf       5.32064445       5.16213008       2.13300391      -1.25160082       1.28054100       3.23378226 
Hf       9.29901598       5.39144935       8.25375076      -1.61773009       3.64143880      -6.56323414 
Hf       0.11046661       7.42414704       5.34694619      -3.13398667      -2.63996171      -0.17092548 
Hf      10.74765764      10.74903009       0.12761581      -0.77711794       2.62148873       1.13782038 
Hf       7.28518376       3.83186714       5.44894898       1.97959748       0.15018160      -2.38486764 
Hf       7.30533141       7.22326188       4.88068651       0.52078588      -0.11973556      -0.00831270 
Hf       1.89127446       5.17999811       2.26635216      -0.68357135       2.41600744       0.57835042 
Hf      10.70392216       3.71350015       4.77243439       2.45201333       2.48234911       0.04783700 
Hf      10.74536542       3.54023507       0.04011491       0.33900746      -1.29875842      -0.21283377 
Hf       1.78408895       5.16541886       7.77899808      -2.42457339       1.55120283      -2.39615024 
Hf       8.83787630       9.17534236       7.92262074       0.08514516      -2.56314169      -1.48625659 
Hf       1.93207022       1.47895427       8.11484993      -1.29377877       2.63197596      -1.40056948 
Hf       7.15789991       7.25415550      10.48808954      -0.48721322      -2.91512556      -0.05133647 
Hf       8.96998320       8.89841193       2.41112955       1.47378919       0.96704040       0.78424266 
Hf       5.37782622       9.08799937       2.46887361      -0.36662363      -1.67804708       0.08840760 
Hf       5.57143167       9.33770896       7.98891413      -1.24310815      -1.64831421      -2.21047524 
Hf       0.13281367      10.85717863       5.65598288      -2.79115517      -0.32318083      -2.31112231 
Hf       3.32599564       3.54705507       5.03477374       0.54212389      -0.62692200       0.78553026 
Hf      10.82758429       7.20392125      10.47077267       3.27410358       0.45421216       1.71066175 
Hf       1.37497712       9.03031658       8.29888320       1.68818864       1.32820686      -0.86413259 
Hf       7.47185384       3.58921748      10.37577173      -3.61064876      -0.68920764      -0.09808309 
Hf       9.00466289       5.36335565       2.17487558      -1.31916902       3.52835026       4.77700740 
Hf       3.55976436       7.17375675       4.95344934       1.09612675      -0.21965365       1.63732761 
Hf       3.40579147      10.82063599       0.20822647       0.07795204      -1.29846102       0.09375258 
Hf       7.01029685      10.94364371       5.25427215       2.89891853      -0.43613258      -2.42624028 
Hf       5.63463103       1.80755364       2.63955973      -0.91667235      -0.53998866       0.66721065 
Hf       5.38218474       2.03211033       7.79292260      -1.45533776      -0.59704342       0.09506667 
Hf       1.75567785       9.07004818       3.12263609      -0.79273254       0.78819855      -3.91972482 
Hf       3.47322237      10.54621372       5.51975173       0.96290439       0.95126324       0.00094442 
Hf       3.53554711       3.50253646      10.20702434       0.61850260       0.37954426       0.86051685 
Hf       7.25400430      10.76597442      10.51098728      -0.26627631       1.61899312       1.87920688 
Hf       9.03764866       1.74598147       2.78196399      -0.87649333      -1.55426938       0.73254183 
Hf       5.30735241       5.31519143       7.29298217      -0.16395634       3.79931945       0.54247898 
Hf       9.09726606       1.76564058       8.11176199      -0.75914812      -2.61096614      -1.04277001 
O       0.00839953       8.70041038       1.47356832       0.10846947       1.57612485       1.54336795 
O       5.77964497       7.04948054       3.02891180      -0.56488276       3.30029617       1.51530856 
O       0.03226860       5.67829715       3.88865143      -0.70726016      -1.25173966       0.88328685 
O      10.93667405       1.88026620       3.88527470       0.91408131      -0.84863453      -0.38677621 
O       1.70716041      10.85864005       4.29515445       0.12221033      -0.97699222      -0.70380569 
O       1.51218240       0.06847073       1.36817455       0.54112549      -0.55385437       0.39877699 
O       1.77896407       3.22339982       0.99632398      -0.83091907       0.50900620      -0.65150125 
O      10.54530645       1.81315949       9.52793020       2.08208212      -0.35971507       0.32570802 
O       1.56003339       0.02946386       9.45068043      -0.21147474      -0.82446699       0.36746356 
O       1.94155472      10.72301233       6.90248663       0.98082269       0.43613396      -0.57980108 
O      10.79337560       1.33037744       6.92704281       0.09341485       0.84950781       0.66583128 
O       1.68336289       3.60388417       3.65316572       1.72519900      -0.19762039      -1.23404317 
O       1.80343648       6.88096696       0.73600022      -0.10326219      -0.80497947       0.53520370 
O       1.52501801       7.26850457       8.99892614      -0.07366105      -1.91085342      -1.82412503 
O      10.50086442       1.72273349       1.30429851       2.06567618       1.92971065       1.16060794 
O       3.33905837       5.43262616       6.49270445      -0.54248365       0.61388717      -1.13034606 
O       3.44258665       2.40454958       7.03635230       0.89005630      -0.48633736      -0.94592321 
O       5.33606677       3.98826130       8.74220295       0.45533217      -3.77270810       1.41591766 
O      10.90873154       5.11258190       1.37895937       0.22840147      -0.03799045       0.00019019 
O       1.83048455       8.11553298       6.24179671      -0.61749542      -0.69171976      -0.71671161 
O      10.69746689       9.40844002       7.04837136       0.51799477       0.06701836      -0.16312774 
O       3.55160181       1.60492001       4.61032673      -0.42845638      -0.40741091      -1.09431844 
O       5.61916203      10.78960181       3.56959553      -0.88013994       2.40276301       0.35185211 
O       5.35988950      10.54778119       0.90980499      -1.22565429       0.26171582      -1.47040293 
O       3.70421155       1.59543617       1.12916491      -0.11514473       1.02693726       2.16208540 
O       3.64878493       1.49246291       9.19953895      -0.82069483       1.28463807       2.07544496 
O       5.54573262       0.30238177       8.88938420       1.66650739      -2.98663559       0.23156888 
O      10.72693151       9.09254775       9.73723944       0.46049907      -1.15511041      -2.79839341 
O       3.68442918       5.45533193       3.49997080      -2.19104731       0.96046258       2.07514335 
O       5.06493196       3.56280246       3.48093404      -0.09511556      -1.25949815      -1.46449600 
O       5.69840602       3.53298603       0.86952788      -0.43648137      -0.96571656      -0.96686770 
O       9.24488995       7.46504392       6.15613536      -0.96150451       0.66137275      -0.80959017 
O       3.41557365       5.30729204       9.13998360      -0.45652915       0.88365718       0.26710629 
O       5.31005854       3.77637576       5.92360303       0.05066788      -0.15739859       1.15107186 
O      10.82525219       5.42265347       9.43701398       1.75771551      -1.85734872       1.15278192 
O       8.42065517      10.80213470       6.95292177      -1.79513303       2.34169651      -2.38871336 
O       1.30338898       3.65411918       6.25216710       1.07473786       0.07813770      -0.85027454 
O       7.30826313       1.41119536       1.68414741      -0.62610629       0.90082664      -0.38603952 
O       9.03741223      10.82623385       1.30282076       0.70919040      -1.87712643      -0.78290644 
O       7.31789027       9.25935395       4.02165498       0.44499371      -1.06441491       1.00417190 
O       7.05179226       1.99947121       4.25992612      -1.60118138       0.05780607       0.80707418 
O       4.18157444       8.65289881       6.72086986       0.09701539       1.77270038      -0.31936907 
O       8.95381269       7.26219336       8.95464807       0.94867133       1.09935048       0.11544432 
O       7.42786353       1.63981005       9.66474998       0.34752241       2.72781323      -0.14596607 
O       7.21936800       8.98931857       9.34585883      -1.08933993       1.37550650       0.77900146 
O       5.44752161       6.92559809       8.85348295       0.11378295       1.35084481      -0.16755482 
O       8.90995604       7.29885707       3.39580585      -1.05150526      -2.66907523       0.63631154 
O       5.36839968       6.73697204       5.45360396       0.76502242      -0.62908636       1.24979092 
O       7.13716437       9.19049713       1.45248059       1.87345103      -2.26554638      -1.64130045 
O       9.16163246       7.10975465       0.86196131      -2.96777529       0.30658181       0.61835972 
O       7.79133376       5.34661291       9.60663295      -2.02973349       1.31125707       0.78185087 
O       3.20495101       9.04440490       9.39429741       2.16510122       0.25351519       0.61822573 
O       9.00955134      10.89252466       9.18165598       0.81661189      -1.43838899       1.59683281 
O       7.22909485       5.61067037       6.89198390       0.57700285      -1.60802776      -1.18825810 
O       5.19907021       0.16464315       6.45165377       1.42523986       0.32767965      -0.29555046 
O      10.90810946       5.72761712       6.71280479       2.13965223       1.26986843       1.56836325 
O      10.41210822       9.24462514       4.13375915       2.72978676       0.03787157       0.75752032 
O       1.88594382       7.20854742       3.72219087      -0.66749590       0.98278471      -0.26460639 
O       3.73513212       9.18400855       4.09757048      -0.83187461      -1.79265784       0.44472603 
O       3.49497200       5.11900683       1.08104073       1.59700950      -1.34194682      -1.85224731 
O       5.20211948       7.21693095       0.78105134      -0.14431505       0.86021682      -1.72335964 
O       8.92733511       0.59275378       4.43722464       0.33199802      -1.38040615       0.37058516 
O       9.16918695       3.62410412       8.92782781      -0.11842750      -2.68894386       1.35607132 
O       7.03592677       5.67682686       1.40744977       3.60700969       0.16756920      -1.97206169 
O       8.87472987       3.80321533       1.03455341       1.25871112      -2.47565592      -2.46219700 
O       8.89787059       3.65466359       3.36519348       2.22799233      -0.79792442       1.39344100 
O       7.28346192       5.26389412       3.89892011       0.26588039       0.21968128       2.35851383 
O       3.27307849       9.09928186       1.68194784       0.18235282       1.18503696      -0.16819066 
O       9.37248462       3.88184665       6.09795296      -3.25696412      -0.80745445       1.58623351 
O       7.23444357       2.53157739       7.19554719       0.57652685      -0.71610716      -0.59439498 
O       1.94245859       3.54938903       8.78868304      -1.24587490      -3.21578326       2.78686494 
O       7.07771558       8.62405046       6.67124806      -1.36789905       1.72063880       1.36340358 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.01687910152283755 0.00600328188860812 -0.004650801530407652 0.00600328188860812 -0.0009922453488343899 -0.006201962262461695 -0.004650801530407652 -0.006201962262461695 0.007046596894144369" pbc="T T T" energy=-1068.61706184 free_energy=-1068.61706499 config_type=crystal 
Hf       1.75810877       1.73638149       2.65182007      -2.62625560      -1.95026510      -3.22945437 
Hf       3.80301067       7.27331469       0.08940477      -3.09963078      -1.08307477      -0.58699999 
Hf       5.19830143       5.45344289       2.56313669       0.84137121      -0.70426802      -0.38455068 
Hf       8.76030749       5.15193870       7.99361151       2.10911998       3.60490621      -1.98666373 
Hf      10.94238662       7.25222921       5.38779036      -1.88378236      -0.34203784       0.13510254 
Hf       0.03063144       0.03367140      10.50980342      -2.40172273      -0.76511428       0.42626877 
Hf       7.16871831       3.71672242       5.33416673       0.04814796       0.44869901      -0.38931260 
Hf       7.29139614       7.37650027       5.29470009       0.06307353      -0.15037231      -0.49180967 
Hf       1.68550807       5.21892489       2.67663740      -1.13933929       4.36095596      -1.37951228 
Hf      10.89860590       3.56219549       5.10955800      -1.24506952      -1.86851969       2.07498735 
Hf      10.85578339       3.55008177      10.17753121       0.16773307      -1.95333986       2.34958737 
Hf       1.72404887       5.47657287       7.77142981      -2.90753840       1.34910562       2.51644326 
Hf       9.05522417       8.88257875       7.76200167      -1.01257208       0.08334167       1.60597023 
Hf       1.85864059       1.80093643       7.61914919      -2.68587369      -0.44275704      -0.24148443 
Hf       7.19336449       7.13500341      10.50094287       0.90473115      -0.66536090       0.77035248 
Hf       9.16000538       9.13603497       2.57015300      -1.27238789       0.64487083       0.86017242 
Hf       5.38032036       9.20009568       2.81155428       2.03935858      -1.03297158      -1.98110083 
Hf       5.13674558       9.16798770       7.41036619       0.99811195       0.52564313       1.23341640 
Hf      10.87602065      10.64684074       5.32276447      -1.59366605       1.66474505      -1.81124403 
Hf       3.62286632       3.44816304       5.27807994       0.95546504      -0.21760389      -1.01247609 
Hf      10.83393427       7.26460664      10.60328218       2.34507628      -0.09600766      -1.71553884 
Hf       1.66119265       9.06497008       7.94859292      -0.11322966      -4.34271377       0.16204291 
Hf       7.27901827       3.47972300       0.15947560      -1.15337806      -0.00316762       0.58022476 
Hf       9.12866936       5.57509613       2.65055107      -1.09053598      -0.78510059      -1.77688768 
Hf       3.62554582       7.00278333       5.20985920      -2.16500774       1.98012069      -2.53148199 
Hf       3.58833114      10.64370941      10.20303783       1.77598324      -1.49268355       1.39170799 
Hf       7.35305805       0.09393181       5.20965533      -0.86500073      -1.13424872       0.95583959 
Hf       5.05083476       1.59989318       2.55634284       2.32486159       3.63662981      -4.49517964 
Hf       5.24130274       1.88575548       7.94624603       4.03316032      -1.13319881       2.11745330 
Hf       1.73757701       9.17297279       2.28875883       0.44710173      -2.61385166       0.42484781 
Hf       3.39804514      10.69946668       5.00628727       2.50416712      -0.33968829       0.43048022 
Hf       3.41330356       3.31753837      10.43999618       0.82379901       2.14714565       1.94462839 
Hf       7.34355722      10.64502008       0.05070756      -3.57658454       2.86438000      -0.69077426 
Hf       9.01947003       1.94732349       2.62552871       0.75655724       0.26913310      -2.19494363 
Hf       5.19676408       5.36640547       8.04905865       0.78315384      -0.44970396       0.37026953 
Hf       9.10437125       1.55101002       7.73055705       1.04910352      -1.84685402       1.42103397 
O      10.83156197       9.36892786       1.43534452      -0.71184385      -0.39728372       0.40092870 
O       5.31518124       7.22255653       3.72538691       1.45847962      -0.94674437       0.60230509 
O       0.27637069       5.52502414       4.47347208       0.13659750      -1.60863469      -1.28141901 
O      10.88587809       1.46587763       4.33103349       2.01869358       3.19515322      -0.87096369 
O       2.09887598      10.87318316       3.42720849      -0.30126798      -1.07635455      -0.42277697 
O       1.84256748      10.89418723       0.78163498       1.41005607      -2.30612823      -1.21535886 
O       1.45623898       3.78330686       0.97026858       1.02913250       0.48015882      -1.02503125 
O      10.74353380       1.58717052       9.36965163       1.03459728       1.74024682      -1.32933123 
O       1.89386994      10.87935599       8.42374302      -0.19172643       2.05865450       2.31293224 
O       1.72586285       0.07402465       5.91710084      -0.60803420       0.63963464       1.49490602 
O      10.86353728       2.05654178       6.74237276       0.23283904      -0.96973172       1.00290997 
O       1.94142840       3.46544788       3.43659634      -0.53388453       0.12343668       3.35059895 
O       1.77204952       7.86024700       0.76696600       0.71175602      -0.14501799      -0.50483123 
O       1.92163617       7.13955639       9.00265915      -0.86889538      -1.85021529      -1.82406368 
O       0.08815296       1.51339085       1.33733504       0.20169760       0.68215392       2.06491582 
O       3.52003483       5.09246044       6.95215074       1.32923006       0.74303077      -0.02654567 
O       3.68286455       1.44627286       6.74867193      -0.85176382       0.98256816      -0.50533536 
O       5.39012017       3.63518962       9.12564519      -0.92323391      -0.92465600      -1.53548797 
O       0.01387019       6.10615788       1.76688014       0.05379256      -1.03152870       0.69777463 
O       1.74317322       6.92125261       6.32335887       1.54375651       0.98959643      -0.77524808 
O      10.85300692       9.00850581       6.77065939       1.25328824      -0.23316314      -1.35891697 
O       3.63269451       1.67574167       3.96074730      -0.81984259       0.50490771       2.08888060 
O       5.65360375       0.13028119       3.67774731      -0.08313018      -1.23786574      -1.12066656 
O       5.41760845       0.28293070       0.88932779      -0.59447507      -0.13760965       1.23271498 
O       3.22882063       1.80764961       1.26964819       1.56912681       0.92876063       1.58611762 
O       3.64865608       1.49539014       9.44881271       0.15613077       2.96695188      -1.96529226 
O       5.42788068      10.54710970       8.94874812      -0.25932883       0.80793471      -1.14778539 
O       0.01039308       8.90558142       9.19655157       0.30430966       0.33502338       1.90534593 
O       3.57592314       5.20539500       4.34374822      -0.62930364       1.43528734      -0.14253623 
O       5.27178058       3.68699058       3.84038429       1.67102676      -1.05597076       0.08489899 
O       5.24004390       3.59742265       1.08778610      -1.23776015       0.67712471      -0.23195202 
O       8.95303788       7.25844641       6.32537073       1.04982839       1.10818820      -2.47816489 
O       3.69379995       5.34630461       9.91519218      -1.55374433      -2.45020217      -0.67939967 
O       5.33666870       3.32101384       6.46453080       0.43233855       1.21420705      -0.73906408 
O      10.76414313       5.40711227       9.66371185      -0.08356001       0.58216156      -0.58141080 
O       9.10336582      10.81101750       6.31172033      -0.58825257       0.53223251      -1.23720289 
O       1.76109286       3.56788604       6.22530528       0.64267484      -0.48722494      -0.83051919 
O       7.12676198       2.30439454       1.85565557       1.24161300      -0.77631268       1.22729416 
O       9.00708865       0.34720495       0.58863668       1.52276668      -0.02467309       1.93489427 
O       7.51536439       9.33922922       4.23105988      -0.01167884      -2.23984071      -0.61624929 
O       7.67396991       1.88607781       4.51128188       0.10152588       2.38517339      -1.19630638 
O       3.33532916       9.15581329       6.53395231      -0.76096237       0.11279784      -1.41685184 
O       8.86521601       7.22079754       8.77095843      -0.06502204      -1.36421052       0.43917882 
O       7.02578754       1.78175587       9.80213172       0.31815414      -0.69868519      -0.56454845 
O       7.57954815       8.99007881       9.85874454      -0.91967699      -1.57789910      -2.35731899 
O       5.19510644       6.86873295       9.23438135       2.69880947       3.20265609      -0.63341963 
O       9.16219702       7.35147742       3.60561221       0.19372914       0.72047332      -0.01720704 
O       5.15013447       7.32046669       6.38858809       0.98971358      -1.04796319       0.53770605 
O       7.29463583       9.14036522       1.70832604      -0.33500337       0.69602344       0.02190933 
O       9.04296451       7.37419896       0.65198499      -0.68113329       0.29576393       2.64114581 
O       7.49053580       5.36102312       9.59703092      -0.98557014      -1.89235765      -0.55308157 
O       3.45525573       8.89520258       8.97807768       1.45964435       1.31733993       2.42633840 
O       9.26799341      10.64436677       8.73329755      -0.95866194       1.88302480       0.03735646 
O       7.11442158       5.60264039       6.75307329      -1.80991153      -1.74512177       0.86392837 
O       5.49505805      10.52117301       5.91269130      -2.09252029       0.88280547       1.25941435 
O      10.59662885       5.76398677       7.08944447       2.50933472      -1.13776855       0.08878347 
O       0.05738074       9.04540332       4.17703384      -0.00448328      -0.09462782      -0.82931333 
O       2.07386880       7.35034742       3.43628842      -1.03640288      -0.39543678       0.97551697 
O       3.78007210       8.90409404       3.89080189      -1.10123074       2.75918245       2.04163568 
O       3.32717363       5.85277616       1.81408172       1.62851552      -0.63077280      -0.65903298 
O       5.48250116       6.96665724       1.20110325       0.58073392       0.98709433      -1.34911901 
O       9.28390525       0.21448189       3.36482540      -1.33714250      -4.86453696       0.25359074 
O       9.05371421       3.31374595       8.61833343       0.26729538       1.20258242       2.49390636 
O       7.38566102       5.45415942       1.46851189       0.30025718      -0.50320862       1.15199649 
O       9.44542737       3.62250805       0.99136311      -2.05795330      -0.15385931      -0.87306998 
O       9.65742115       3.64462756       3.50378034      -0.40994273       1.46562881      -0.15949911 
O       7.56066274       5.56987428       4.10068574      -0.84090620      -2.06156004       1.45427888 
O       4.06101878       9.12552981       1.19428464      -0.87811301       0.31590796       0.11496484 
O       9.03993825       3.84797826       6.17312412      -0.62238079      -0.25113620      -1.17878824 
O       7.19875363       1.75573055       7.00141254      -0.72325409      -0.68093413       0.06993949 
O       1.71171899       3.44527810       8.83826062       1.02509936       0.29788287       0.32612645 
O       7.07718399       8.94403939       6.66516997       1.25290579      -0.30192094       2.18221967 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0026547061695833727 0.005261274325542824 -0.007292533443763506 0.005261274325542824 -0.000821246860625767 0.006593999520929722 -0.007292533443763506 0.006593999520929722 0.011231863863432555" pbc="T T T" energy=-1067.00578778 free_energy=-1067.0057911 config_type=crystal 
Hf       1.55123692       1.78016813       2.37027731       3.82523641      -1.02453794       1.04378665 
Hf       3.54696852       7.24833841      10.50759758       0.18639349      -1.19117445      -1.03387695 
Hf       5.28116900       5.52610966       2.58533036      -3.74584920      -1.85007163      -0.01465647 
Hf       9.17310109       5.34548444       8.30737800       1.07537235       1.81427108      -4.17262843 
Hf      10.95146871       7.24662270       5.23652587       0.05560263      -1.27468122      -0.55003215 
Hf      10.80283194      10.71704219       0.03116030      -0.33660558      -0.25942418      -0.65232346 
Hf       7.43648163       3.26795294       5.53203280       1.99811753       3.19725904      -1.57710120 
Hf       7.24522679       7.17555233       5.05054111      -1.77530317      -0.96701318      -0.17873979 
Hf       1.88279112       5.70875188       2.52205369      -1.10869446      -1.89529793       2.33993837 
Hf       0.04543771       3.41836228       5.10468577      -1.50774814       0.43490893      -0.70464094 
Hf      10.86095681       3.60819897       0.13723761      -1.67131210      -1.86944564      -1.28656631 
Hf       1.88097144       5.50037237       7.79348605      -1.87596076      -0.98938549      -1.14994768 
Hf       8.65162255       8.94792855       7.64092695       0.34120665       0.46843846       0.68225436 
Hf       1.96388886       1.69551703       7.88325677      -2.50589018      -0.60923488      -2.88952818 
Hf       7.16039755       6.97402515       0.14092502      -1.18416880      -0.40257039      -2.98615603 
Hf       8.95113110       9.07563169       2.64091386       2.62485348      -0.84824556       0.93612289 
Hf       5.62948226       9.17303831       2.27861250      -1.10446322      -1.02172762       2.67305362 
Hf       5.29882108       9.17848947       7.88974216      -0.17424151      -0.82090362       0.16646560 
Hf       0.04873426      10.87726175       5.35405944      -1.14713436      -3.05737149      -0.47284688 
Hf       3.49332706       3.64179478       5.04503104      -0.40630097       0.01359722       0.40074611 
Hf      10.93152693       7.16425264      10.51402961      -1.45768442       0.73028072      -2.11261597 
Hf       1.53476523       9.04683483       7.91275320       0.38821952       0.97237511      -0.67476152 
Hf       7.11989914       3.62142352      10.58531938      -1.32639014      -1.47458050       0.41906996 
Hf       9.00573756       5.35029007       2.60312224       0.71977132      -0.80784015       0.95851819 
Hf       3.73819586       7.22765753       5.34794968      -4.07713755       1.35556611      -0.60430821 
Hf       3.63960840      10.93130989      10.50178713      -2.30816588       1.12336756      -1.35504818 
Hf       7.29628219       0.00450861       5.12373188      -3.98775501      -1.52851889      -0.11641428 
Hf       5.22336021       1.96221215       2.57568550      -0.11736404      -3.11593644      -2.16883178 
Hf       5.29158519       1.77668960       8.02718396      -0.09363566      -1.79010144      -3.53276376 
Hf       1.87418343       9.10112597       2.47579703      -4.31350723       1.59130505       3.70106316 
Hf       3.61519624       0.00759393       5.17801822       0.66259099      -1.77256246       2.44942233 
Hf       3.54312449       3.66666293      10.19590173      -0.51936182      -0.03266256       1.34367423 
Hf       7.19766811       0.08100998      10.50789232      -0.61079243      -0.72553480      -2.27296297 
Hf       8.64167220       1.67799434       2.68266500       3.08820970       3.80369568      -2.44518594 
Hf       5.50226502       5.14361401       7.50730575       0.42932795       3.13822999       0.44646037 
Hf       9.04999870       1.42006117       8.09334353       3.07489042       1.92841680      -1.73199861 
O      10.59282131       9.09741967       1.46263745       0.42969275      -0.45558987      -0.88001610 
O       5.52324357       7.16142501       3.58767780      -0.40868206       2.15690667      -0.98921800 
O      10.94049332       5.14068108       4.07078859       0.45201704       2.10581758       0.65032826 
O      10.37904948       1.41725195       4.40215862      -0.13970290       3.61231134      -0.59025269 
O       1.24406717       0.01144080       3.39742582       1.72670941      -0.11953068       0.44713143 
O       1.73419500      10.86199379       0.95163680      -0.10874315      -0.94260113      -0.73448698 
O       1.79786777       3.14217204       0.44549678      -0.00419010      -0.43543339       1.09168410 
O      10.81753610       1.41198967       9.63248438      -0.92933188       2.74537615       0.19021943 
O       1.89118867      10.92880732       8.87898022       0.21770181      -2.74599040       1.02182923 
O       1.69879890      10.61661675       6.32436448       3.57796422       0.80539892      -0.76703551 
O      10.89289048       1.28184827       7.07210145      -0.93624440       0.07891479       0.30853942 
O       1.92218309       3.53207548       3.56137570      -0.54263034       0.29712047      -1.74592242 
O       1.57738396       7.26019795       1.04585055       1.66741562       0.59019727      -0.29557897 
O       1.47185720       7.23655808       8.86253120       0.57672496       0.23402832       2.10958769 
O      10.73745618       1.89130864       1.83499385      -1.91456924       0.36326940      -1.46774546 
O       3.60784685       5.21622424       6.48996908      -1.22512299      -0.49133445       2.28401875 
O       3.63089378       1.80628252       6.73167424       1.12149378      -0.61659728      -0.97188480 
O       5.13602391       3.64030630       8.88480916       0.96046825       0.09817295      -0.96372599 
O       0.22674034       5.07988745       1.49130014      -1.14187520       0.36255971      -0.09474183 
O       1.86064806       6.98312301       6.44099076       0.63127422       2.21584539      -2.89043831 
O      10.75860060       9.01872502       6.80353712      -0.55364704      -0.72661636      -0.06760214 
O       3.30703179       1.65505193       4.24410422       1.41584886      -0.20050908      -1.58113104 
O       5.63617451      10.77100761       3.70574484      -2.29949085       0.00008967      -1.38511272 
O       5.35443736      10.79110782       0.94492384       2.19242802      -1.58261600       0.20502649 
O       3.57445756       1.51386239       1.40753501       0.41728348       0.39822737       0.40542774 
O       3.62158983       1.67616238       9.11549513      -0.07201120       0.47587661       4.43358358 
O       5.32220634      10.95282561       8.89269545      -1.19527200       0.02558468       2.75369160 
O      10.80343869       9.04828157       9.46172067       1.83142477      -0.27490916       1.14505097 
O       3.59871940       5.60210190       4.07841171      -1.40894823      -1.02211139      -1.70253524 
O       5.03742287       3.56287696       3.43976623      -0.38622478       2.89140642       1.83220907 
O       5.24167568       3.75279998       1.00172001       0.15335465      -1.79237327      -2.00967829 
O       9.00936191       7.04787472       5.82518742       0.42283979       2.19221176       1.01045283 
O       3.30801684       5.42275974       9.28893288       0.69560707       1.96066864       1.45310704 
O       5.51588552       3.74875350       5.96059259       0.26113355      -0.85599945       1.14929718 
O       0.05263514       5.21165646       9.49654744      -0.04528491       1.31973078       0.67275281 
O       8.69363541      10.73286693       6.37526718       3.49526598      -0.69243740       1.48537478 
O       1.77866639       3.27944546       6.11697462      -1.35070627       0.21116009      -0.92246862 
O       6.98049346       1.89197039       1.47286010      -1.18363754      -0.84809302      -0.18469296 
O       8.81733643       0.22768376       0.98925634       0.78345662      -0.73687258      -0.09647744 
O       7.13784474       8.85965278       3.87571084       1.91229509       0.47376658      -0.60670882 
O       6.98849748       1.76931084       4.08876170       0.93731900       1.84975411       0.65433106 
O       3.50315898       8.74408790       6.91004863       0.70094055       0.55265224       0.34996330 
O       9.07026939       7.32834032       8.76168612      -0.55149230      -0.09528226       0.45503901 
O       6.91635145       1.84895680       9.25163848       2.93524913      -0.26301200       2.86897052 
O       7.01808755       9.33334047       9.12753109       0.77558196      -1.40315218       0.77023622 
O       5.22729506       7.17164279       8.50017499       0.33043416      -1.03985137       0.87191618 
O       9.55995821       7.17439735       3.21501528      -1.71803476       0.10136408      -0.29833771 
O       5.37770374       6.51614772       5.85256241       4.62718318       0.44051368       1.80833754 
O       7.38221733       8.71124718       1.20627607      -0.18453100       1.83648770       1.06559609 
O       8.95945865       6.53666535       0.55684980       2.92998111      -0.45142887       1.49716194 
O       7.09346001       5.29173463       9.57322834       0.28005582       1.16062029      -0.22914418 
O       3.61871750       9.05512304       9.64198681       0.04717088      -0.30488855       0.28055916 
O       8.99910074      10.65405735       9.08243777      -0.96417565       0.81409567      -0.42187239 
O       7.58570279       5.17990652       7.08754953      -2.37036645      -0.88021103      -1.02416695 
O       5.43466771      10.74623905       6.57014310      -1.35790847       2.20141559      -3.27002974 
O      10.94988600       5.72696688       6.80755765      -1.59118893      -1.75972545       1.68095678 
O      10.79654418       9.06524551       4.04827935      -1.32732738       1.12542236       2.05271468 
O       1.61336796       7.35237253       3.68264451       0.46107798      -0.73220309      -0.95850870 
O       3.28113279       9.19149785       4.28321075       0.41528489      -0.02749319      -0.70350620 
O       3.52407902       5.40906025       1.24818186      -1.39249573       0.91660568       1.14186307 
O       5.29565579       7.13025289       0.94694027      -0.30214212       0.98267135      -0.42291578 
O       8.58946971      10.90161453       3.46144705      -0.13185396      -2.70318340       1.71528898 
O       9.12474733       3.58922723       8.93063886      -0.32509200      -4.22899527       1.31355632 
O       6.91563986       5.38517321       1.66229833       5.05141668       0.36584143      -1.80128510 
O       8.83261337       3.31531354       0.81722533       1.34512645       1.39109880       0.82070468 
O       9.22140171       3.54923520       3.41803481      -0.90108916      -2.04911257       0.31285505 
O       7.66025202       5.28761299       4.23246036      -1.20677226       0.64799566      -0.21309568 
O       3.55112150       8.86263368       1.66366787       3.07457866      -0.05091667      -1.28261851 
O       9.33714670       3.30675120       6.20424105      -0.47322134       0.15450405       0.30729243 
O       7.30908515       1.69838367       6.71288451      -0.77383326      -0.08406193       0.92547626 
O       2.01611326       3.50866875       8.45650861      -0.06550473       1.54407923       2.22004076 
O       6.88847445       8.94473148       6.42633655       1.48834223      -2.27726286       0.93091352 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004826543802729294 0.003991191019131865 0.00656357859893695 0.003991191019131865 0.002929330860948736 -0.0024894645248339903 0.00656357859893695 -0.0024894645248339903 -0.001808543747538374" pbc="T T T" energy=-1065.15622374 free_energy=-1065.15623381 config_type=crystal 
Hf       1.63458020       1.69937409       2.39448071       0.86889702       0.55030610       0.26646779 
Hf       3.44957439       7.25894754      10.62143321       1.91760184       0.83806232      -2.83126764 
Hf       5.23022130       5.41424397       2.50494748       0.71992015       1.33507379       0.09215003 
Hf       9.41810179       5.43458597       8.29979623      -3.13783092      -2.26749103      -0.80803904 
Hf      10.86407817       7.26386700       5.06859777      -0.00452926       2.57505646       1.75102956 
Hf      10.66129971      10.54670926       0.06100196       1.11369758       3.49839959      -0.13672782 
Hf       7.48205925       3.19978712       5.52402012      -2.93062683       5.92216930      -1.08676891 
Hf       7.23800547       7.10809295       5.05733879       1.40960359      -2.89014357      -0.05724950 
Hf       1.83313349       5.76017616       2.62908846      -2.06061613      -3.40099021      -0.44541629 
Hf      10.94048762       3.40805279       4.99772189      -1.45592206       0.79895936      -1.50936416 
Hf      10.81459617       3.51837160       0.07324922       0.57549548      -2.17813132      -0.13454210 
Hf       1.92578739       5.54228411       7.69353752      -2.16526877       0.58908819       3.34157407 
Hf       8.62918674       8.92447406       7.74540523       2.57113128       0.29058262       0.44832033 
Hf       1.98394732       1.75312478       7.88895647      -2.13515984      -0.25001862       0.48368356 
Hf       7.08790992       7.03248636       0.04757211       2.10427253       1.33106306      -2.33720586 
Hf       9.00027282       9.13990046       2.56019437      -0.03622640       0.15928983       2.09681879 
Hf       5.80558363       9.15990272       2.28433249      -4.27263472      -2.61724425       3.72114680 
Hf       5.35775911       9.16390090       7.99897161      -1.41943878      -3.36710761       2.82620102 
Hf      10.80432974      10.83803576       5.28071774       2.35680353       0.64901294       1.29417633 
Hf       3.45378565       3.69628214       5.07980807       0.15691024      -1.50287472       0.07766116 
Hf      10.91691348       7.25671219      10.58967631       0.68526482      -2.64728585       0.09487973 
Hf       1.58329451       9.07617248       7.91073029       1.53773730      -0.23911586       0.28554325 
Hf       7.20598470       3.64711545      10.57197329      -1.07833098       0.99833335       0.03607888 
Hf       9.09696204       5.39774062       2.54643417       0.00506761      -1.67056577      -0.59745715 
Hf       3.81030606       7.24374335       5.27943982      -0.27943782       2.80201564      -2.32699043 
Hf       3.58115222      10.83134471      10.58556821      -1.36067082      -1.55085073       0.60959477 
Hf       7.01759584       0.04066144       5.18990750       1.58378824      -1.50096569      -0.98868363 
Hf       5.25583018       1.87403388       2.54359602      -1.73230251      -0.98562954       0.64410491 
Hf       5.31455839       1.71423788       7.97594431       0.72831868       2.13686959       0.58973711 
Hf       1.81865557       9.12934797       2.48335116       1.83342574       2.99558656       0.97365851 
Hf       3.63225506       0.02497672       5.28113738      -1.68138766      -1.53612027      -5.25760245 
Hf       3.60544595       3.70346818      10.10554832      -0.91075595       0.08062447       3.06996712 
Hf       7.09105473       0.09153727      10.46812084       2.16955070      -0.57732595       0.04897358 
Hf       8.71643737       1.64801390       2.62168855       1.81527485       0.11577809      -2.08347053 
Hf       5.49438207       5.30473185       7.52342399       4.62440334       1.12387029       2.85608380 
Hf       9.02397360       1.48560884       8.09013984       2.50395263       1.62996702       1.03454469 
O      10.77269166       9.00811589       1.51061548      -0.61346279      -1.20293037       0.59148320 
O       5.30985750       7.13196126       3.61270835      -0.55244411      -1.15535260       0.28603665 
O      10.94181713       5.53724326       4.33425047       0.28330210      -3.57793588      -1.66807301 
O      10.34241251       1.57531810       4.20633768       0.92767951      -0.44839303       2.00979425 
O       1.55904220      10.93545191       3.53188554      -0.63078928       0.25201518      -0.59497646 
O       1.67934773      10.40978643       0.87076733      -0.34122283       2.07487783      -0.32974102 
O       1.92516159       2.98330467       0.61629089      -0.82332751       1.01496624       0.14377497 
O      10.74440524       1.59415892       9.93980554       0.69773224      -2.73821078      -0.44635994 
O       2.00716308      10.55667922       9.11645004      -0.66726595       3.35027073      -2.28206904 
O       1.93628313      10.81180830       6.15841964      -3.11948415       0.21427794       2.36177436 
O      10.85937904       1.33754190       7.32385250       1.98324478      -0.14933659      -1.01205701 
O       1.70197625       3.51224873       3.45483220      -0.84303674       0.23409441       0.62870837 
O       1.64689891       6.88497883       1.01392454      -0.74225824       2.61332486      -0.65356732 
O       2.04385111       7.48826396       9.14090503      -1.82094274       0.17568378      -2.82272966 
O      10.70287181       1.82676926       1.81376051       0.33909982      -0.61765788      -0.47400111 
O       3.64972846       5.06195718       6.84342797      -1.57105722       0.54640157      -2.24775986 
O       3.75915173       1.82254736       6.78376601      -1.90315214       0.09916924       1.01774580 
O       5.31173996       3.67421512       8.76778642      -0.60570297      -1.94345528       0.89577947 
O      10.85099978       5.11471690       1.42105043       1.03741937      -0.75859490       2.00917113 
O       1.96608477       7.14332789       5.99668389      -2.02405162      -0.79949038       2.31286143 
O      10.76597158       9.10572563       6.94658338       0.65407332      -0.51442619       0.05052949 
O       3.41548304       1.78037301       4.26674601       0.72080739       0.49377356       0.07998072 
O       5.23113470      10.81855753       3.63722722       2.18121518       0.93506884      -0.29598902 
O       5.65113876      10.62900591       1.07163385      -3.24825465       0.20481850      -1.53148486 
O       3.52880204       1.25393140       1.65544230       1.40354653      -0.23319040       0.10570488 
O       3.65944435       1.72507742       9.62021755      -0.39655996      -0.50374535      -2.63668555 
O       5.30160380       0.01464313       9.15361636       2.21017701       0.63937311      -1.69230782 
O       0.08264681       8.93323831       9.66120245      -0.75780413       1.22846310      -2.43638242 
O       3.21478183       5.51211260       4.06717877       1.24753794       0.45344532       1.65472572 
O       4.85155663       3.81568381       3.63038236       1.42905155      -1.46397302      -2.29918607 
O       5.34043756       3.32158157       0.81525015      -0.35106853       1.40417825       0.95448924 
O       9.06982545       7.24945011       5.86727996      -0.25795672       1.30369703       0.49398305 
O       3.21315158       5.49318063       9.48216194       0.53490713       0.39527182      -0.85223994 
O       5.61585617       3.70325903       6.21144602      -0.89363288      -1.24532615      -0.84472977 
O       0.27682273       5.58318932       9.42182929      -0.75472732      -0.99415969       1.07334783 
O       9.03503500      10.68429098       6.16058636      -3.16748497       0.93075051       1.23639993 
O       1.55988165       3.40872976       6.18955825       0.57850074      -0.23246000       0.14909280 
O       6.89592957       1.51663952       1.38337966       1.50637768       1.31173606       1.51068768 
O       8.85090309      10.73639092       1.09362270       1.54961974       1.67799173      -0.03282801 
O       7.21841779       8.68972094       3.87323353      -0.64808674       0.92239417      -0.18883609 
O       6.90640833       1.92361657       4.09071393       0.40218670      -1.06507634       0.26706096 
O       3.75174043       8.89874915       6.83947473      -0.35343130      -0.36933805      -0.74062215 
O       9.00924972       7.27592759       8.72157291       0.57222896       1.00968423       0.54427040 
O       7.36957170       1.99205520       9.50165042      -1.04307388      -2.34104795      -0.79219607 
O       7.07523284       8.82393994       9.42258405      -0.37096750       1.11123010      -0.94218362 
O       5.08350862       7.14707078       8.84109134       0.63978106       0.04869888      -0.77119303 
O       9.18805011       7.19124439       3.25092248       0.46357337       1.03986790       0.55103156 
O       5.62275253       6.77388927       6.15439912      -2.45437819       1.10885724      -0.78519786 
O       7.44120202       8.97846304       1.31254173       0.89289351      -2.27781355      -0.92277510 
O       9.18956357       6.54295903       0.57167162      -1.79793427       1.55263568       0.11189580 
O       7.05274598       5.51212323       9.43383698       0.53047901      -2.40573433       0.97436908 
O       3.82875530       9.13491340       9.54901973       1.60623691      -0.41420398      -0.08678544 
O       8.76497201      10.67790999       9.13615164       0.65168001      -0.06866099      -1.63480959 
O       7.54282309       5.33166224       6.90960200       0.24228627      -0.97584757       0.77461964 
O       5.32216843      10.94917595       6.14077975       1.81449108      -0.25100446       4.13997336 
O      10.77503569       5.64046751       7.08366081       3.58274716       0.41261934      -3.47985317 
O      10.63781410       9.27434636       4.16360719      -0.46617090      -1.90666333      -0.54645582 
O       1.77547337       7.48920453       3.52786533      -2.05481231      -1.83365347       0.63481786 
O       3.36347655       9.22036976       4.03671340       0.69500197      -0.88514156       1.88135128 
O       3.49242878       5.55604627       1.31627899       2.15448922      -1.44880858       2.14369152 
O       5.48803756       7.31818849       1.11258824      -0.37938072      -1.24236910      -0.26610632 
O       8.25979830      10.72242224       3.68554803       1.89701460       1.70792115      -2.23929759 
O       9.58918039       3.34664616       8.96184050      -1.11307325       2.70613971      -1.05758798 
O       7.38060285       5.34841418       1.49991612      -3.47149594      -0.63144968       0.01730158 
O       8.86833979       3.02204990       0.72128745       0.23916014       1.25651755       1.06077525 
O       9.10878093       3.44529508       3.23025684       0.37181139       1.01320367       1.44874620 
O       7.45915442       5.02323419       4.23778241      -0.42020442       1.85720989      -0.21647953 
O       3.60277948       8.80681297       1.31298304      -0.75556015       1.48206524       2.35096090 
O       9.24429109       3.29876253       6.11352827       2.99161014      -0.46702137       1.16808647 
O       7.18011835       1.68316338       7.06320561       0.50642501      -0.91214219      -1.89152845 
O       2.11715146       3.68549815       8.67879236      -1.36903068      -2.92616816      -1.80851231 
O       7.05317775       8.83686912       6.62489350      -1.48171630       1.08040356      -0.15334097 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010794685408256833 0.0033292957659914945 0.010750348517381138 0.0033292957659914945 -0.01872043820301388 -0.002228374733253379 0.010750348517381138 -0.002228374733253379 -0.015062067600231458" pbc="T T T" energy=-1063.1516912 free_energy=-1063.15169644 config_type=crystal 
Hf       1.71193778       1.65089883       2.42352403       1.36008856       2.68122863      -0.79932602 
Hf       3.41072321       7.28045822       0.01810491       4.20799066       1.64662011      -2.86099699 
Hf       5.21559701       5.33069055       2.44034761       8.16109055       2.28644248       2.91068421 
Hf       9.56828072       5.47103144       8.25336737      -0.63951197      -1.10968953      -3.26561939 
Hf      10.80423102       7.30425794       4.96993290       1.44926310      -0.47996158       3.60393783 
Hf      10.56297410      10.48027339       0.06529607       6.28896823       2.95251196      -2.32418745 
Hf       7.49972273       3.26190808       5.49737747      -1.61527046       4.60113632       2.41918672 
Hf       7.27106586       7.01066179       5.05446035      -0.72688378       0.84039861       0.67160808 
Hf       1.75933683       5.71423459       2.70275626      -0.96069005      -1.78246463       0.92120525 
Hf      10.87709686       3.41699749       4.88155234       1.46881015       2.89972309       2.09069853 
Hf      10.78074202       3.39571403       0.00477603       2.64803200      -2.51949150       1.24743623 
Hf       1.90629612       5.58184929       7.67372655       1.87639535      -0.57478842       1.30789552 
Hf       8.65426042       8.92267530       7.82609518       1.83922339       0.47260773      -2.68986483 
Hf       1.94865388       1.76443926       7.88941798      -1.56157624      -1.14174208       1.01042680 
Hf       7.06964046       7.09733339      10.56801154       1.26118105      -2.39895133      -0.45126140 
Hf       9.04479526       9.18737884       2.53203794      -0.95744071      -1.28482048       3.60476736 
Hf       5.86400146       9.10142737       2.35663084      -4.58762260      -1.04104436      -0.13791534 
Hf       5.38423483       9.09659238       8.12098764      -0.77123796      -1.98549819      -2.65218737 
Hf      10.68675247      10.81201701       5.24921498       1.57726952       0.43259059       5.31176347 
Hf       3.42260630       3.70975715       5.10728637       0.90168885      -1.46056753       1.90285804 
Hf      10.90227441       7.28604600       0.00266108      -0.28077021       0.65372875      -1.05118816 
Hf       1.64470464       9.10432677       7.90840127       0.31239622       4.37774109      -4.04807603 
Hf       7.24802956       3.67450731      10.56612288      -2.56583961      -1.99133154       0.97307027 
Hf       9.15309258       5.40510206       2.50593099      -3.98921558      -0.12604328       0.53953086 
Hf       3.83693681       7.30526020       5.19296206      -4.29981552       2.21523242       0.90190484 
Hf       3.50796034      10.73386381       0.01657061      -0.73256489       1.51381358      -1.48982482 
Hf       6.82872043       0.03289166       5.21785794       4.29479479      -0.69300672      -0.44707175 
Hf       5.26415794       1.79472241       2.53353928      -2.65080210       0.16177661       0.12532145 
Hf       5.34512585       1.69739982       7.93232481      -0.62236542       0.79358695      -0.75385745 
Hf       1.79450176       9.20290436       2.51772588       3.21916245       0.44896716       0.84514064 
Hf       3.61967450       0.00880698       5.29094656      -2.66364392      -1.57117459      -0.84663020 
Hf       3.63143917       3.72941867      10.09206650      -1.06979766      -3.32694301       1.93010203 
Hf       7.05536304       0.08354772      10.43953149       1.18857086      -2.69494354       1.98276707 
Hf       8.80919305       1.63478124       2.53464363       1.82425017       0.88548802      -0.25454240 
Hf       5.56267608       5.45361534       7.58031433       0.11013466      -1.71247324       1.36133700 
Hf       9.06479391       1.56580753       8.10080636       2.68093721       1.45274834      -2.91741783 
O      10.86416002       8.69326400       1.59947297      -1.53371546       1.56071088      -0.09985919 
O       5.12123780       7.16347279       3.75624119       2.74388555      -1.49450795      -2.52838632 
O       0.03309183       5.46666503       4.20362123      -1.24332007      -0.32944404       0.30250490 
O      10.48335487       1.62972505       4.45725255      -0.20499264      -1.99717235      -1.98764730 
O       1.80794532       0.00861196       3.50416170      -1.54352223      -1.68967431       1.79900176 
O       1.76227665      10.43222596       0.88836321      -4.63669519       0.69071402      -0.62245984 
O       1.94015619       3.01700083       0.80951601      -0.30844198       1.74597151      -1.39287338 
O      10.75816915       1.37075863      10.07921051      -0.86835118       1.18809897      -2.94659204 
O       2.01877195      10.83042452       8.86896292       0.99960373      -0.05141110       0.49675726 
O       1.79267966       0.05700144       6.32694648       1.06293700      -1.18402219      -2.50716309 
O       0.11931917       1.32367982       7.29995670      -3.57117538       0.32615367       0.45944958 
O       1.40093638       3.52081085       3.34652162       0.90592123      -0.42474884       1.36911077 
O       1.74655479       7.12969161       0.99429395      -1.54023185      -1.06580589       0.79819610 
O       2.24363542       7.70917242       8.94852566       0.16360097      -4.25592199       1.96131662 
O      10.89659383       1.66917914       1.64273927      -2.58183742      -0.32544787       2.14005889 
O       3.60667751       5.03938618       6.72343464      -0.08039878       1.67596709       1.10263299 
O       3.63441394       1.83597723       6.93720807       0.04062504      -0.52636814      -1.03394364 
O       5.35879993       3.39218861       8.80903513      -0.09145121       3.34606086       1.65840090 
O      10.86726812       5.13963873       1.84643480       3.01859015      -0.48600363      -3.67456275 
O       1.76652736       7.22397960       5.96907708       0.17195058      -0.17628501       1.74210387 
O      10.85465930       9.05825624       7.01814577      -1.55410822       0.01966940      -1.40835568 
O       3.66837765       1.86944112       4.23941576      -0.43336151      -1.06418061       0.13811607 
O       5.21842552      10.94919621       3.53967266       2.43331279      -1.18865309       1.28026691 
O       5.35035745      10.53421624       0.83425894       3.30934015      -0.29896776       1.94157054 
O       3.48864710       0.94988115       1.72081320       2.11836748       2.29622124       0.80209512 
O       3.61467473       1.72269032       9.76638650       0.06875761      -0.83706013      -1.85086427 
O       5.65210300       0.07330451       9.14917833      -0.48781787      -0.06277174      -2.95914828 
O       0.17991461       9.08974006       9.42382403      -1.93494028      -2.08362402       2.18880055 
O       3.11925603       5.49134539       4.28815324      -0.50614829       0.41224292      -1.15087268 
O       4.90545018       3.78365055       3.45099683       0.41755949      -2.63710261       0.34357972 
O       5.33322380       3.22600373       0.74024480       0.27411777       1.16153296       1.38308488 
O       8.90283322       7.71797918       6.00094867       1.25209882      -1.98141171      -0.21432654 
O       3.30076046       5.55658202       9.52912479      -0.21972207       0.55329084       0.27447966 
O       5.39349769       3.50023263       6.35127115       1.97341381       0.25389313      -2.04206251 
O       0.24278430       5.64573132       9.54562610      -0.42690158      -1.06284848       0.09459987 
O       8.91341452      10.82492943       6.22087065      -0.58155910      -0.07381750      -0.21460824 
O       1.58153366       3.46166970       6.25827240      -0.27831470      -0.12808015      -2.22583806 
O       7.06485488       1.43721257       1.49364129      -0.21168405       0.11672907       1.01295784 
O       9.08868007      10.70313815       1.17965755      -2.52874219       1.21106335       1.03876012 
O       7.16632135       8.75786047       3.83006247      -0.21340126       1.06707969       0.86299556 
O       7.04005422       1.87955746       4.29715207      -1.28971073      -1.04779535      -2.05847179 
O       3.83963669       8.95615761       6.63242606      -0.64505930       1.37384589       1.46022177 
O       9.06039014       7.25159836       8.83964526       0.39817903       0.47434259       0.64375275 
O       7.55343003       1.73926752       9.65967899       0.51814077       3.44016160      -1.43764916 
O       6.94260706       8.62493779       9.45028248       1.79970614       3.64200553      -1.57772693 
O       5.12436870       7.06231813       8.96421810       1.43697424      -1.20570018      -0.15227143 
O       8.94381896       7.17050041       3.39150355       0.88357944      -0.02660818       0.45755395 
O       5.31962576       7.06859175       6.43532848       2.75351398      -1.57186054      -0.94804452 
O       7.58344903       8.80388586       1.23369496      -1.32792921       0.36490573       0.43280357 
O       9.11491607       6.78411669       0.68282875       0.03239515      -0.25634761       0.38549970 
O       7.14515765       5.19938629       9.44512763       0.62832852       2.10602358      -0.86219474 
O       4.22367670       9.16103974       9.56233021      -3.69291579      -0.59434598       3.25551678 
O       8.72902537      10.75758443       8.82787078       0.10715377      -2.95416814       2.17357142 
O       7.45425018       5.23204163       6.91494669       0.76898864       0.62073634      -0.66410971 
O       5.34970886       0.18443199       6.42300266      -1.95898477      -1.80151535      -0.50603898 
O       0.14679725       5.57864061       6.93200485      -3.82646912       0.33874831      -0.04162934 
O      10.43329910       9.12520945       4.30444526      -0.00814298       1.27915176      -2.63258778 
O       1.50939004       7.50596743       3.57543627      -1.13745224      -1.09030017      -0.86784620 
O       3.53335766       9.03480996       4.13227959      -0.72334540       1.63631623       0.37281908 
O       3.62165875       5.42599176       1.72566853      -6.55289642       0.89974987      -4.16378580 
O       5.53982350       7.27098391       1.14340809      -1.36440225       0.11274486       0.16762150 
O       8.29939679       0.00854513       3.63185532       2.08308667      -1.64320666      -1.55366582 
O       9.71010044       3.57606206       8.83480057      -0.64637827      -0.90048130       1.86420887 
O       7.27862802       5.22819356       1.36875160      -0.89826442      -0.52269759       1.08193758 
O       8.95140643       3.11281686       0.84466016       0.92048192       1.22725214      -0.23936306 
O       9.05076146       3.48999414       3.34920991       0.23526230       0.14404739       1.69462522 
O       7.19478888       5.23497269       4.21147606       0.57186156      -0.57030872       0.14832877 
O       3.52956338       9.02500960       1.46464176       0.62169744      -1.81964238       0.32039774 
O       9.31404060       3.19204583       6.37357494      -0.59103492       0.13218380      -1.24388027 
O       7.15639631       1.54635570       6.92907646       2.04143437       1.39333924      -0.06745855 
O       1.99852220       3.67383144       8.75500675      -0.69050649      -0.49785927      -0.11662122 
O       6.96924932       8.83926596       6.80224379       0.11793522       1.70016272      -0.49725862 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006243373864115744 0.003092504450305857 0.016865983181371863 0.003092504450305857 0.0006603263686819615 -0.015516379422380348 0.016865983181371863 -0.015516379422380348 -0.001589965842048068" pbc="T T T" energy=-1063.23697953 free_energy=-1063.23698201 config_type=crystal 
Hf       1.84027395       1.64961917       2.44881021      -2.10895480       0.24767380       0.24464501 
Hf       3.44218709       7.33507607       0.01104714      -1.31455321      -6.09173440       2.67030798 
Hf       5.31749865       5.25085659       2.39790197      -1.31489770      -0.21010589       0.48132196 
Hf       9.74930890       5.49573503       8.12031047      -6.45242190      -2.00383013       5.10129725 
Hf      10.73246155       7.35960053       4.94021369      -1.53621512       0.20291585       3.39400311 
Hf      10.53581100      10.46825597       0.02049973      -1.36133132       2.17923057      -2.22261037 
Hf       7.47783122       3.44562004       5.50417185      -0.33905393      -0.35126023      -1.97889760 
Hf       7.30750694       6.91399843       5.07514566      -0.85290791       0.07624849      -1.18900550 
Hf       1.63213285       5.59515393       2.82181360      -0.50750969      -1.07369794      -4.22777990 
Hf      10.80367797       3.47668698       4.77879723      -1.51510383      -1.88944545       2.12429234 
Hf      10.81659235       3.16376971      10.56429447       2.31270002       2.54532769       1.79138903 
Hf       1.90223879       5.63315832       7.68705649       0.13193932       1.20573075       1.41766243 
Hf       8.73692914       8.92517064       7.86605352       0.34241825       1.51080929      -2.07170484 
Hf       1.83477229       1.76667801       7.89879127      -0.15313085      -1.06775982      -0.67847298 
Hf       7.08036726       7.15112812      10.39556091       3.32382771      -0.32673372       3.50495281 
Hf       9.06724564       9.22243168       2.57446380      -4.18215856      -2.76684522      -0.23851146 
Hf       5.82789388       8.98389918       2.46173486      -2.26194143      -1.20138477       0.38169184 
Hf       5.39587503       8.95128054       8.23155826       0.84542182       1.37132972      -3.11345420 
Hf      10.54478582      10.77795656       5.34320436      -0.40336829       0.61019086       1.11038033 
Hf       3.40396511       3.68344938       5.19552078       3.78966616      -1.92931749      -0.20455872 
Hf      10.86841226       7.32781663       0.04136764      -1.71878176      -4.08062338       1.47291489 
Hf       1.73394707       9.22067500       7.81164718      -1.33389653      -3.38729266      -3.78287261 
Hf       7.24360366       3.65909364      10.57878170      -1.48678518       1.45082107      -0.11726584 
Hf       9.17358436       5.40106434       2.45483111      -0.52840685      -1.38726218      -1.06496903 
Hf       3.78919614       7.43603989       5.09642513       0.04221091      -0.86289368       2.03971340 
Hf       3.37597888      10.64319393       0.08653356      -0.41161294       3.76801819       0.72366004 
Hf       6.67583493       0.00325897       5.26294287       5.16015806       0.03630568       1.25970238 
Hf       5.24774947       1.68716221       2.53602944       2.78282567       1.04546932       2.24605552 
Hf       5.37550092       1.72656732       7.84406255       0.26762146       1.65878071      -1.70735636 
Hf       1.81602767       9.30324270       2.57823901      -2.55540929      -1.98924394       0.28910124 
Hf       3.52892333      10.90741814       5.28330123      -1.98518639       0.64020129      -0.38247366 
Hf       3.63595633       3.69112636      10.13784528      -1.07093571      -2.21742649       3.71885264 
Hf       7.05483419       0.01832468      10.43565105       4.32538614       0.98419741      -0.45362909 
Hf       8.99576639       1.64926179       2.41777619      -2.14261683      -0.42298528       3.43258397 
Hf       5.67653291       5.61215315       7.70046221       0.93223796      -4.95281834      -0.43384721 
Hf       9.18307116       1.70659585       8.04183709      -4.60622797       1.00601798      -0.25050656 
O      10.69085834       8.75192845       1.63375691       1.25524919       1.47169989      -2.16779436 
O       5.35865301       6.91973806       3.56082958      -1.50761846       2.97718944       2.26237829 
O      10.62108395       5.40789727       4.08773728       1.94904796       0.65598082      -0.32157957 
O      10.69505744       1.47244006       4.28766324      -0.25492740       2.16495926       0.33055417 
O       1.77045838      10.82376163       3.76679526      -0.15326503       1.22307959      -2.54501637 
O       1.29270195      10.66461883       0.88728628       4.91064804      -0.36585926       0.90500953 
O       1.87577293       3.25176940       0.77730557       0.08492345      -2.75621742      -0.26593351 
O      10.58204948       1.38189178       9.62416665       1.55376061      -0.66037850       2.49547781 
O       2.22685608      10.75579630       8.80571686      -0.40101401       1.42523339       1.77670320 
O       1.72995974      10.92759372       6.04077691      -1.10390452      -0.21572793       3.01787842 
O      10.77995143       1.30824599       7.30017460       6.30674863      -1.31499078      -2.76930436 
O       1.43034875       3.28220790       3.40836752       0.97409165       2.75743675       0.46800552 
O       1.67108811       7.35047944       1.04065138       0.86767602       0.16379726      -0.94158357 
O       2.27774396       7.40606142       8.77549053      -0.42726939       0.92741590       0.26577662 
O      10.83430535       1.45715238       1.83478064       0.80780935       1.34996983      -2.15734492 
O       3.63386767       5.36410263       6.80118450       0.71212140      -0.90632035       0.12303352 
O       3.57707473       1.84127478       6.83196470      -1.67421254       1.13833433       1.07727982 
O       5.39337093       3.69238027       9.09586177       0.75174326      -0.55564267      -2.71113850 
O       0.06841485       5.03521633       1.45198103       0.06915796       1.38027292       2.47790414 
O       1.65272257       7.35331003       6.35900577       0.99289495      -0.75852758      -1.90327447 
O      10.82723523       9.09277706       6.83824113       0.00409177       0.81025362       0.46553750 
O       3.77410130       1.70184018       4.28873592      -1.01724759       0.79358508      -0.74309188 
O       5.65852223      10.71326489       3.64469016      -3.42533999       1.36937904      -2.27692299 
O       5.60573206      10.40953521       0.87369902      -3.27157308       0.27045506       0.51198484 
O       3.57897077       0.93351803       1.78079935      -0.48898291      -0.40207762      -1.65853560 
O       3.67453700       1.56129256       9.55162277       0.57281067       0.31924051      -0.17124971 
O       6.06716766       0.00599140       8.66251213      -1.79337761       0.63331977       1.80520960 
O       0.01414463       8.85071969       9.51526415       1.29139936       2.51625675      -0.89710379 
O       2.98250904       5.56911667       4.36903323       0.46869811       0.36315683      -0.29160950 
O       5.08562401       3.51548097       3.25353924      -1.92191696       0.56252742       1.91297804 
O       5.29870681       3.39044716       0.91166262      -0.74509726      -0.74606448      -1.38564741 
O       8.89456374       7.71040639       6.05735379       0.10844388      -0.89892791       1.11459817 
O       3.41497709       5.46902287       9.58605191      -0.22537617       1.98773410      -1.57044724 
O       5.51182544       3.33863371       6.06781486      -2.03552315       1.27075823       1.23039430 
O       0.10321045       5.49008074       9.67092330       0.94657050       1.28090561      -1.84500216 
O       8.73362667      10.86902864       6.17834700       0.68170173      -0.76599715       0.31657776 
O       1.61876500       3.48734947       5.87066561      -0.53882415      -0.05852978       2.43638359 
O       7.06443209       1.42009054       1.62612901       0.56722097       0.85796351      -1.46375091 
O       8.94744824      10.84505549       1.10792668      -0.57582285      -0.59638227      -1.16112386 
O       7.07860345       9.05294390       4.08033131       0.88526872      -2.39869871       0.51670445 
O       6.97926080       1.77798219       4.20378778       0.11376615       0.28726911       0.41505168 
O       3.67400060       9.21919484       6.81692722      -0.70882578      -2.42541672       1.54942884 
O       9.19684011       7.25932914       9.10665457      -0.89427205       0.64350051      -1.94873780 
O       7.78831681       2.01032017       9.66722154      -1.68074063      -1.73449240       0.43700244 
O       7.16939725       8.99271164       9.38462864      -1.22198621      -2.63901696       1.02754713 
O       5.62126581       6.88739299       9.14757452      -2.76614870       2.86543931      -1.68072365 
O       8.83817167       7.01715333       3.66352092       0.51394817       1.03973615      -0.42869158 
O       5.47770956       7.12637227       6.42672387      -0.49347485       0.76411937      -1.22748545 
O       7.36327079       8.70929526       1.27850023       0.80773521       0.37843891       0.82976406 
O       8.99900696       6.87388753       0.98238788       0.61059167      -0.87592699      -0.33850866 
O       7.47342154       5.34752532       9.27320239      -0.23154253      -0.84120075       1.39725565 
O       4.04321155       8.99747652      10.04208798       1.89155990       1.77251036      -4.31053592 
O       8.81132192      10.58886028       9.08152920       1.56172422       0.53659258      -0.47787368 
O       7.50714991       5.28998496       6.70843829      -0.64258718       1.19175709      -0.10658750 
O       5.07229713       0.00997303       6.51610399       2.19280062       1.91065179      -0.92873291 
O      10.81482887       5.55625553       6.68427422       3.91156347       0.54076544      -2.72224670 
O      10.33756919       9.23834166       4.05392940       2.86418229      -2.17855166       2.91944564 
O       1.03139642       7.48280064       3.43949838       2.63218790      -0.07460898      -0.09196241 
O       3.57069111       9.18239112       4.23468342      -0.27277534      -2.40699608      -0.36197483 
O       3.22100254       5.38193034       1.50375266       1.22138067       0.39556676       1.54347909 
O       5.32083969       7.16754733       1.06956736       0.23399355       0.05588579      -1.33225017 
O       8.88631957      10.83101757       3.47148901      -0.97613312       4.28056798       1.12928781 
O       9.64009960       3.60906833       9.04981365      -0.70730053       0.11744380      -2.02319820 
O       6.97160475       5.07064431       1.50390667       3.45597318       0.90826897      -1.51636096 
O       9.11191270       3.63682755       1.04371582      -1.35044620      -1.85134171       0.07265050 
O       8.95701908       3.61302553       3.86676887       0.35087626      -0.95209373      -2.14916636 
O       6.93642635       5.15778625       4.09515696       0.63275357       0.38293864       1.13407102 
O       3.50985244       9.02412151       1.76412542       1.12107466       0.51109107      -1.34176953 
O       9.30822790       3.17553875       6.39559908       1.09450470       0.85154383      -0.27420845 
O       7.32599585       1.82744853       6.81328679      -1.96086792      -0.78457025       2.28253375 
O       1.68083610       3.59150006       8.81086172       0.74941339      -0.96468814      -1.39429410 
O       6.84228955       9.28038081       6.89948564       0.73522597      -1.33373840       0.56908081 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0014122560712876932 -0.0028060064924397632 -0.012919795602599772 -0.0028060064924397632 -0.00650467897527818 0.009788860158356893 -0.012919795602599772 0.009788860158356893 -0.00718892598385867" pbc="T T T" energy=-1064.07884646 free_energy=-1064.07885392 config_type=crystal 
Hf       1.95910634       1.64360214       2.17757885       1.57833741       2.79606156       0.48122099 
Hf       3.39072226       7.31255163      10.54129513      -1.02994824      -0.10465328       1.66879339 
Hf       5.17003834       5.39006999       2.34333875       0.88357719       0.81041178      -0.66127667 
Hf       8.98111483       5.13180486       8.00070361      -2.12537608       1.82385944      -1.83812872 
Hf       0.26299725       7.11431914       5.38463461      -5.39147177      -0.19305158      -0.96777149 
Hf      10.75474518      10.74933686       0.02193390       1.95323745       2.07651970      -2.28104248 
Hf       7.10100683       3.51130323       5.01923637       1.15790926       2.29867082       1.64659766 
Hf       7.28296134       7.09455101       5.45924764       2.44447669       0.28704432      -1.96609468 
Hf       1.54504788       5.34149931       2.55784908       1.83648460      -3.08413576      -0.39768980 
Hf      10.65807382       3.37157775       5.31185657       2.33076588       0.83361432       1.13711345 
Hf      10.62724780       3.79467557       0.14878017       2.40543775      -5.20292041       0.95175560 
Hf       1.83619218       5.06462804       7.73593830      -0.42016922       3.98359056      -1.43534202 
Hf       8.92914931       9.12969922       8.08645413       2.52757567      -0.16507875      -4.12082929 
Hf       1.73532665       1.64731622       8.03036925      -0.70701568      -0.93113109       2.10505555 
Hf       7.42847981       7.37728111      10.41788553      -1.24659602      -0.57246284       1.51702945 
Hf       8.72377241       8.97871612       3.00416483       1.15445988       0.34051529      -2.49455786 
Hf       5.06835516       8.72192161       2.45298539       2.35667641       4.67710739      -1.87789561 
Hf       5.53321024       9.25606660       7.93346445      -1.27362792      -0.14526665       0.29374345 
Hf       0.09495094      10.87034654       5.17591145      -3.93681682      -1.07211748       2.58874974 
Hf       3.58979366       3.44663445       5.12223425      -2.72035028       2.04997240      -2.36498869 
Hf       0.02076041       7.21081520      10.20015461       0.56609187      -1.31006220      -0.25917147 
Hf       1.66728901       9.00113231       7.95393303       0.92005559       1.88855017      -2.13482333 
Hf       7.26627875       3.76547695       0.03574745      -1.45744229       0.42211360      -0.80000350 
Hf       8.87427750       5.40568722       2.72573499      -0.65821003      -1.48832047       0.43857492 
Hf       3.67292220       7.07031020       4.84174344       0.04560218       0.23647102       2.13517640 
Hf       3.75113884       0.01137003      10.52722222      -2.09981527      -0.34501472      -1.30424317 
Hf       7.20236681      10.87311830       5.15673280       1.06744578       0.60644890       0.63652121 
Hf       5.58829208       1.54665962       2.57885283      -2.22754498       0.39483662       0.51117953 
Hf       5.50274336       1.78446398       7.55156512       0.65682300      -0.38924473       2.04437119 
Hf       1.29058437       9.09253921       2.68753287       2.46790199      -3.21758108      -2.14060002 
Hf       3.51079936       0.03335828       5.30011609      -0.18031052      -2.78857426       2.01617519 
Hf       3.80782912       3.69074115      10.12207100      -3.16158085      -0.05838295       1.52604533 
Hf       7.19866237       0.15587748      10.57276154      -1.43841918       0.37505999      -0.73275211 
Hf       9.06102559       1.74269719       2.60911891       1.22328412       1.06965042      -0.28338739 
Hf       5.31909078       5.55510351       7.92608728       3.39852245       1.27489718      -3.76217375 
Hf       9.08858234       1.74086710       7.81483237      -1.35602546       0.46174891      -0.60124895 
O      10.72773448       9.28051294       1.57233596      -1.74743570       1.83829809       0.01675447 
O       5.33881618       7.07447589       3.43336279      -0.92964963      -0.28623119       1.77955421 
O       0.11213630       5.02941830       4.31550516       0.51023338       3.01246426       0.42708499 
O      10.90743161       1.65789336       4.30270041      -1.47774577      -0.40723737      -0.93318618 
O       1.80547682      10.90934793       3.17152269      -0.59201160      -1.00044724       3.45599245 
O       1.75846824       0.02232438       0.62791562      -1.06015686       0.41720973       2.09578081 
O       1.89770311       3.95960730       0.71441229       0.45001201      -0.45431139       0.26772840 
O       0.03642508       1.85079533       9.85527566       0.58189767       0.32362183      -0.51221996 
O       1.90185577      10.80531830       8.97159303      -0.56702649      -0.12747686      -1.72181815 
O       1.60988143      10.63368051       6.25833426       2.25095764       0.09918702      -1.02374455 
O       0.01067038       1.57299247       6.93164474      -0.24264910       0.86479729      -0.22938920 
O       1.87597178       3.40505150       3.48406014       1.25489464      -0.51567990      -0.87453779 
O       1.48797303       7.42014098       0.93033703      -0.61521197      -0.54081831      -0.27298641 
O       1.95491337       7.24905427       8.82173774      -0.76974183      -1.31602769       0.72887080 
O       0.21674923       2.27289254       1.80478741      -4.77823104      -0.62181064      -0.58406627 
O       3.54902605       5.69326425       6.33293698      -0.31346825      -2.45787934       2.62186280 
O       3.37512486       1.25821301       7.09304430       2.66373006       1.14364407      -2.17071188 
O       5.34823473       3.62211780       8.71343918       0.37568825      -0.56347477      -0.07482663 
O      10.66040876       5.13196756       1.66284253      -0.53798476       1.23387338       1.09740857 
O       1.78783481       7.56095823       6.21585940       4.21889104       0.03366850       0.75759771 
O      10.83096816       8.86985982       6.90697653      -0.65706047      -0.29032584       0.04084175 
O       3.70402869       1.62779493       4.11051863       0.93152103       0.63322442       0.13365056 
O       6.06722014      10.81073078       3.29299866      -1.77396925      -0.99956862       0.67952037 
O       5.29793726      10.43024402       1.00791374       2.39197659       1.23780671      -0.81917141 
O       3.84152452       1.56939879       1.35420061       0.70103338       0.50307943       2.18881120 
O       3.49893007       1.86021321       9.70949265      -0.54492909      -0.32575896      -1.44204945 
O       5.15943326       0.25895974       8.99006868       1.38143391      -2.02046217      -1.02753961 
O       0.03439395       9.01035529       9.28488451      -1.21294088       1.32575856       2.38288615 
O       3.30913775       5.30256267       3.95947118       1.98448213      -0.78980408       0.03993636 
O       5.82574037       3.83241132       3.33822218      -1.61707000      -3.81218210       1.08653029 
O       5.28202565       4.06870080       0.78285912       0.99799658      -0.80866952      -1.08969629 
O       8.85199256       7.16174963       6.60141298       0.07918282      -0.27133714      -2.94526601 
O       3.73197460       5.56164040       8.98997397      -1.87025633       0.23724487       2.96643012 
O       5.38574544       3.23374130       6.09944262      -3.16468778       1.03520145      -1.17842260 
O       0.35038406       5.17629181       9.70394112      -0.16769639       2.94947075      -2.38958994 
O       9.10028872      10.77903420       6.39999290       0.80841290       1.52932387      -1.41835118 
O       1.92416985       3.34639034       6.17538544      -0.64579147       1.05978629       0.62222703 
O       6.97328321       1.89006163       1.23497246      -0.17457469      -0.48036496      -0.42980891 
O       8.95362907       0.45580017       0.91481146       1.07311872      -0.25232829       0.40601147 
O       7.30233177       9.09321574       4.31636356      -0.15719595      -3.78686871       1.32065390 
O       7.15461070       1.74097184       4.12902350       0.39082327       1.50224597      -1.64277833 
O       3.78053093       9.42871377       7.06654812      -0.56794702      -0.95907993       0.04561159 
O       9.22823792       7.06427717       8.69742340      -0.10403931       1.84342264       3.66919879 
O       7.21450475       1.63624431       9.05908905       0.06328972      -0.03666566       1.32856406 
O       7.13734602       9.40615504       9.37870892       2.12618785      -0.72939001       1.53367934 
O       6.15386151       7.25410334       8.67133207      -1.52282678       1.59773557      -0.29037013 
O       9.05842058       7.11489170       3.59269724       0.61153433       0.35900981       0.64016373 
O       5.55157721       6.99684387       6.17271278      -2.78714545       0.78043466       0.64684903 
O       7.31573315       8.96775245       1.65712477       0.03903677      -1.04532782      -1.37533930 
O       9.40639738       7.40251584       0.65529050      -2.93956612      -0.52371997       0.47315326 
O       7.35207496       5.50958407       9.60208012       0.51925543      -1.58519802       0.50723725 
O       3.80057198       9.02076853       9.74382613       0.59577328       0.19969827      -1.65107691 
O       9.36484423       0.18907010       8.98489055      -0.41384863      -4.02772024       1.22727790 
O       7.16215621       4.99413056       7.00523430      -0.04082910       0.57650611      -0.81519289 
O       5.37225050       0.16178418       6.02119574       1.19704571       0.56602819       0.77196392 
O      10.79023156       5.22267009       7.12996828       3.10961625       0.56918013      -1.36796085 
O      10.78390501       8.93154659       4.30880995       0.75639167       1.53615301      -1.10805892 
O       1.56858575       7.10960663       3.69144490       0.45729443       1.75289806      -0.14286060 
O       4.03043795       9.19256650       4.35232487      -1.08858540      -0.76759001      -0.68494487 
O       3.40798169       5.87828655       1.58600475      -0.50018950      -0.03458531      -0.83077760 
O       5.30514653       7.39914413       0.71457120       1.69650948      -0.70498816       0.07660879 
O       8.64108244       0.02019026       3.47888562       2.42840177      -0.23861142       0.51039564 
O       9.03216201       3.53180421       9.19149684      -0.14225454      -0.32645395       1.27598738 
O       7.21594305       5.54563413       1.50894226       0.77621979       0.40218193      -0.41681403 
O       8.76055784       3.48999754       1.27102422       1.22447383       0.11658830       0.63414429 
O       9.06984736       3.65364468       4.11166039      -1.61164331      -0.90863892      -3.22903525 
O       7.18806945       5.51755982       4.11886717       1.47187185      -0.20343460       1.83930325 
O       3.33708453       8.80702311       1.58693819      -1.29227088       0.27607969       1.48511921 
O       9.08620511       3.49847266       6.56593550       1.02998479      -0.13573317      -0.02605913 
O       7.29578304       2.00289715       6.55022956       0.50301639      -2.44163399       1.15109691 
O       2.17147789       3.54383466       8.67459018       0.04946168      -1.51459263       0.91640699 
O       7.33153849       9.34755326       6.77948550      -2.56857776      -0.68895938       1.48087156 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.001833915369787925 -0.0035313077201032644 -0.011342159306335574 -0.0035313077201032644 -0.011047612822587507 -0.004913437992915694 -0.011342159306335574 -0.004913437992915694 -0.006879945248792886" pbc="T T T" energy=-1065.87430404 free_energy=-1065.87430748 config_type=crystal 
Hf       1.95985431       1.62151484       2.20668084      -1.70196292       0.08542553       2.61394236 
Hf       3.28874425       7.29366930      10.58290532       1.11563124       1.49564983      -0.34252504 
Hf       5.11155346       5.38104203       2.28297421       1.41196753       0.01551410      -0.19304275 
Hf       8.94443140       5.10575763       7.88862176       1.03131748       3.62520946       1.50919647 
Hf       0.26628843       7.03257664       5.34507336      -0.16525128       4.47809062       1.86339863 
Hf      10.73790647      10.81950500       0.00452317       0.80264581       1.84484364      -0.40136768 
Hf       7.15563597       3.53174001       5.09581895      -0.58419905       0.26379592      -0.62381042 
Hf       7.27399002       7.08857670       5.45944300      -1.16461770       3.12339857      -0.90577616 
Hf       1.60808005       5.31445935       2.61116223      -0.04894602      -1.22738905      -0.09637947 
Hf      10.68930247       3.29982208       5.32365975       2.27377586       0.77696393      -2.39856212 
Hf      10.74512077       3.71368159       0.17774930       0.22120230      -2.20344523      -1.04562473 
Hf       1.89477315       5.10561564       7.77800831       0.39549194       2.12175027      -1.29469674 
Hf       8.93218949       9.07009584       8.05987695       1.29372051       2.32471370      -4.11206842 
Hf       1.71761781       1.69132308       7.95945597       0.57036991      -3.47794557       1.75261281 
Hf       7.40720906       7.31689087      10.44712272      -0.20117809       1.25924849       1.03662537 
Hf       8.72756680       9.01189428       2.98679109      -0.03917201       0.87605233      -2.91934784 
Hf       5.05962301       8.86867164       2.43457288       2.84536197       2.37806363      -0.09767383 
Hf       5.47562978       9.31238921       7.96972868       0.44637231      -6.16415449      -1.88343815 
Hf       0.05001217      10.80260965       5.24424667      -2.59790935      -0.21176912       1.14183097 
Hf       3.56005809       3.45799068       5.17141006      -1.58530823       0.71355972      -2.30366983 
Hf       0.02237884       7.26731540      10.28327243      -3.72590613      -0.87778640      -1.27751042 
Hf       1.65022088       9.05200365       7.95277670       0.95684069       1.18094261      -2.15494312 
Hf       7.25061988       3.78400892       0.06772501       0.64147634      -1.93296428      -1.52593674 
Hf       8.93416552       5.41036061       2.69369769      -2.57323624      -0.32587820       1.61325618 
Hf       3.76688940       7.01412093       4.80244750      -0.38550992       1.44109639       4.68379892 
Hf       3.77970562       0.04336078      10.60759202      -2.69185574      -2.18496862      -0.62432701 
Hf       7.19777482       0.02493432       5.21333084       0.42851933      -2.93430121      -1.14396692 
Hf       5.64698808       1.60243256       2.60608869      -1.59591193      -2.32261498      -0.06461231 
Hf       5.40876674       1.75437278       7.55887638      -0.10293932      -1.39204078       1.99780229 
Hf       1.37782590       9.02125881       2.63691683      -1.28967675       2.19878401      -2.83486711 
Hf       3.39023308       0.01840345       5.27077803       2.50648982      -3.44582113      -0.76588935 
Hf       3.77385610       3.64159406      10.18102411      -1.63334920      -0.06595886      -0.64040500 
Hf       7.17840308       0.05966517      10.56165657       2.78388738      -0.30174757      -0.76348681 
Hf       9.03983953       1.77558206       2.55622699       1.31564869      -0.98224068      -0.28397630 
Hf       5.39090090       5.50585103       7.92026525      -0.08569117       0.03286475      -3.51686321 
Hf       9.07435981       1.73133921       7.77618171      -1.79436354      -3.40325898       2.67096135 
O      10.55900781       9.45083558       1.53657426       0.84374672      -0.09845772       1.50912010 
O       5.13978379       7.03270767       3.32037205       0.81384897       0.95446682       0.87457807 
O      10.91975087       5.56733632       4.16537628      -0.11026229      -4.55178268      -0.80363882 
O      10.68926128       1.58090413       4.30450064      -0.00440671       1.82924452      -0.36052322 
O       1.77675961      10.82141518       3.47475084       0.20278318       1.45584392       1.96137141 
O       1.73778189       0.04743499       1.01697879      -0.08671001       0.21213109      -1.56539080 
O       2.12338357       3.99756261       0.66688312      -1.80311657      -0.43945485       0.45929279 
O       0.27483334       1.80387122       9.84700459       0.18609328       1.82946494      -1.31634370 
O       1.79224274      10.83250802       9.07871071       0.37708283      -0.28322935      -1.63763898 
O       1.71974700      10.50499834       6.23548829      -1.24822204       0.62875385       0.66593113 
O       0.07272593       1.61698322       6.80151910      -1.17139859       1.79789590       0.36648182 
O       1.91758836       3.37310742       3.35435764      -0.98438927       0.56270017       0.64509612 
O       1.42045033       7.50010882       0.90705197       1.30287738      -0.10641521       0.91697278 
O       1.93430678       7.29901287       8.82849512      -1.38882460      -0.83513609       0.97869617 
O      10.92789326       2.31208281       1.63486275       0.50710479      -0.54841354       1.37383077 
O       3.73545905       5.34060069       6.21371308      -1.21500043       0.64289576       2.89466340 
O       3.51171693       1.36053909       6.82717187      -1.53068584       2.52316317       1.23049859 
O       5.40135040       3.47374157       8.64880582      -0.53998811       1.61088608       1.02569849 
O      10.50105320       5.24812296       1.68698949       4.84177850      -0.50095037      -2.53086525 
O       2.19707176       7.56863378       6.07485986      -1.73314242      -0.61098127      -0.46143628 
O      10.74484666       8.67549633       6.83250891       2.04476829       0.87151635       1.18934583 
O       3.83281373       1.52301240       4.08322452      -0.66170273       1.98178919       0.63435769 
O       5.98967095      10.76633871       3.33723857      -0.35740680      -0.68964356       0.20037820 
O       5.50743001      10.53858845       0.80095425      -2.42069593       0.27117239       1.13910131 
O       3.79634658       1.64149300       1.64544456       1.27365659      -0.22109796      -2.59234369 
O       3.50527940       1.78621738       9.63648003       1.27696317      -1.17439084      -0.28731214 
O       5.63978418      10.90681578       8.84044255      -1.75517387       4.26159056       1.59027631 
O      10.92685616       9.12085882       9.57606161       0.39305604      -0.92111465      -1.83638321 
O       3.35575224       5.19446748       3.91632244       0.86756114      -0.21477823      -1.04174009 
O       5.74095134       3.37787526       3.27565723      -0.81139366       4.61345654       1.64093562 
O       5.41428681       4.09325856       0.66913764      -2.43797955       0.89378167      -0.11881999 
O       8.86046199       7.19103009       6.44264399       1.71812281      -1.19122781       0.01386662 
O       3.53953487       5.55384861       8.95551635       2.04223578      -0.74301832       2.49879837 
O       5.26548022       3.67381095       6.06210400       2.43900793      -2.69113277       0.11717660 
O       0.09796077       5.26872112       9.44176578       0.41440425       0.46246727      -0.06828482 
O       9.10988902      10.84285158       6.51572017       0.25653511       1.47377796      -1.51826819 
O       1.90466905       3.51659202       6.30167018      -1.74011410      -0.62677168      -1.19616859 
O       6.74572117       1.98202421       1.02214352       0.26751293      -1.09195234       0.93235465 
O       8.98352547       0.65419755       0.79431080      -0.13072508      -0.18787812       1.50269794 
O       7.29429488       8.95449635       4.38773517       0.38666267      -0.81638757      -0.57631529 
O       7.42676015       1.77144726       3.91147987      -1.31770861       0.40890236       1.96347758 
O       3.76616411       9.51303487       7.26309342      -2.68179737       0.34082946      -1.45722780 
O       9.02176213       7.34277825       8.81985353       0.56085316      -3.62573846       0.90724257 
O       7.24658917       1.50162826       9.31431026       0.86142282       3.67886272      -2.28566782 
O       7.57230864       9.23982356       9.46168719      -2.19089878      -0.24974206       1.58048149 
O       5.98248491       7.17312076       8.61723418      -0.04747349       1.29780625       1.38323845 
O       9.04971407       7.17360446       3.56055429       0.01386882      -0.46587860       1.06031301 
O       5.36746305       7.31489063       6.18666525      -0.33528336      -1.50062189      -0.68043455 
O       7.29378203       8.99901156       1.50083191       0.17564280      -0.73566294       0.67921213 
O       9.22881530       7.39808228       0.60688401       0.44516776      -1.02051344       0.87625385 
O       7.50864508       5.43090552       9.53920289       0.15791722      -0.99882576      -0.60814007 
O       3.94578719       8.92384683       9.66160465      -0.22414534       1.03614317       0.83927533 
O       9.31245363       0.09966695       9.10601778       0.57694754      -0.35978960      -2.11270901 
O       7.32454944       5.08912259       6.88519612      -2.39157511       0.17867882       0.37465511 
O       5.34520977       0.30313225       5.91409167       1.42497336       0.07260297       0.50240642 
O       0.24368543       5.50259655       6.70642803      -1.54119358      -0.69918943       0.66591592 
O      10.82067204       9.23040612       4.19699723       0.00977592      -2.77403148      -0.86653803 
O       1.49699223       7.27176869       3.50311634       1.45180340      -1.18127306       0.84363001 
O       4.04077231       9.17201403       4.31199802      -0.83102240      -0.91906214      -0.76968146 
O       3.28044673       5.98564177       1.58208849       0.60639124      -0.67582820      -0.17714133 
O       5.26168550       7.28215991       0.83615378      -0.16551240      -0.27447383      -0.75545942 
O       8.91226645      10.93901590       3.51865286       0.09797558      -0.53516418       0.71503291 
O       9.12015008       3.43810817       9.09769825       0.23791312       0.17662433      -0.19547106 
O       7.22447898       5.80963856       1.59845630      -0.55052862      -0.98582154      -0.29402209 
O       8.65229908       3.61966936       1.37764393       1.44485379      -0.13949993      -1.82938228 
O       8.98613026       3.50026134       3.67122216       1.43972389       2.49959773       2.71391776 
O       7.11912981       5.41484600       4.44775660       0.48333245      -1.29904975      -1.77575918 
O       3.26914211       9.15188589       1.58664291       0.62024589      -0.82054093       0.22939701 
O       9.02741324       3.51724489       6.34473166       1.13853320      -0.47323082       0.61155442 
O       7.17126821       1.83369958       6.75935556       2.41363667       0.31047205      -1.76376863 
O       2.12881314       3.39530888       8.65499466       0.33410127       2.48842261       1.65217227 
O       7.08519239       9.31070067       6.63761546       0.45662475       0.31801872       2.85746947 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.023700188217101716 -0.007225075331719633 -0.004200194087615537 -0.007225075331719633 -0.01672283509955459 -0.012791970881316709 -0.004200194087615537 -0.012791970881316709 0.010554645193584391" pbc="T T T" energy=-1057.57914129 free_energy=-1057.57915187 config_type=crystal 
Hf       1.55030818       1.79170535       2.97359838       1.88546440       1.73030311       0.32509365 
Hf       3.37608811       7.30308444      10.62671902       0.58534573      -1.69957737      -0.17747179 
Hf       5.40510809       5.54197888       2.57263901       0.30217646       0.91979710       1.42957794 
Hf       9.15811624       5.35470961       7.68913828      -2.27610335      -0.66629058       1.56972133 
Hf      10.84528151       7.02570504       5.21599457      -0.38514560       1.78878702      -1.32587293 
Hf      10.61908437      10.55807556      10.38884359       2.33924486       0.67569731       0.94055667 
Hf       7.30937812       3.33327371       5.13446121       1.46364757       3.90019993      -0.75264108 
Hf       7.14426298       7.24052262       5.40654512      -2.12726945       0.99418963      -1.84001732 
Hf       1.72006187       5.34365632       2.95446203       1.93698827       1.36029522      -2.27826725 
Hf       0.05371223       3.68266000       5.53503814       0.13416504      -0.70731897      -0.46515743 
Hf       0.08542010       3.18922882       0.05749917      -2.55198627       2.98926168       2.59695703 
Hf       1.51622220       5.16322645       8.35509923       1.12677992       2.86781020      -1.52355925 
Hf       9.27253073       8.84705239       7.83698746      -3.91927882       0.03504649       0.71657475 
Hf       1.96074996       1.84078636       7.49044868      -1.64888049      -0.84810540       0.32950657 
Hf       7.44832123       7.48204457       0.23875604      -3.79968710      -5.50193000      -3.37341520 
Hf       8.96299064       8.71500169       2.80869252       0.56964605       0.69064239       0.91849278 
Hf       5.20205419       9.22743474       2.22694716       2.04019282      -1.25504007       2.23343533 
Hf       5.34296916       8.85748776       8.12723069       1.85781650       0.61082643      -3.65120059 
Hf      10.92365120      10.70810889       4.98925101      -1.97437027      -0.24017193       1.65798939 
Hf       3.75857171       3.91557963       5.33827750       1.23979390       1.60600682      -1.53029118 
Hf      10.65900245       6.95582077      10.56810476       1.77930355      -0.80495748       0.67361811 
Hf       1.71804443       9.17108157       7.75331895      -0.03275169      -0.15104114      -2.00619281 
Hf       7.15786003       3.71892743      10.16024377       2.73273243      -0.49381965       2.44609744 
Hf       8.83470629       5.19987975       2.35568295       1.04562669       1.11358994       0.27764480 
Hf       3.51970703       7.63174943       5.50870023      -1.03795857      -2.26024996      -2.68052585 
Hf       3.36361197       0.16279904      10.08952043      -2.36678710      -1.41156247       5.00849355 
Hf       7.55902745      10.94999009       5.00834654       0.35352778       5.89461808       3.46918262 
Hf       5.50970195       1.78409914       2.33355231      -2.29984450       0.11609499       1.38884774 
Hf       5.38857461       1.69232950       7.95994852       0.62589211      -1.29140756      -2.68362494 
Hf       1.67802282       9.16869809       2.25985731      -1.58776350      -1.50373942      -0.78990643 
Hf       4.03145303       0.00992307       4.98873858      -0.20530856      -0.49176795       1.18743640 
Hf       3.41855105       3.62312521       0.28398583       1.34413073       0.71841606       2.14723499 
Hf       7.31913104      10.58556164      10.49048670      -4.16587126       2.98906275      -0.68134065 
Hf       9.01981218       2.02315435       2.15359005      -1.51390419      -2.78318069       1.11313449 
Hf       5.33289731       5.13524921       7.90129429      -0.34207504       3.26609896       0.22733334 
Hf       8.92761569       1.65543199       8.06111863       0.99624475      -4.13413343      -2.78279009 
O      10.60960765       9.06645144       1.33595306       2.13604469      -0.00886874       0.14738194 
O       6.18410105       7.41210749       3.43827742      -0.51944442      -1.26989630       0.06673839 
O       0.00946872       5.31782361       3.86391211      -0.69566953      -1.41082493       3.50072446 
O       0.17318270       1.82336632       4.64792395       1.15753300       0.97324016      -1.12547884 
O       1.39581051      10.78298153       3.39092937      -0.14104290      -0.65392329       0.58310959 
O       1.56996303      10.68979889       0.84854241      -1.00091273      -0.58546529      -2.33309882 
O       1.45902389       3.64094120       1.80418251       1.47856590      -0.85124986      -3.00699571 
O      10.47032118       1.68713559       9.67101822      -0.67525694      -3.66220547       0.20689413 
O       1.96001109       0.15718277       8.63244162      -1.43548646      -0.69126049       0.37516308 
O       1.61752467      10.88618793       6.14878201      -0.16372579       0.72832737       0.69518401 
O      10.79616270       2.32042131       7.30420044       1.75014461       0.84934609      -2.18405300 
O       2.10413190       3.68171592       4.20644471      -1.85672937      -0.17658804      -0.10587147 
O       1.60722877       7.07638563       1.07057711       2.06999850       2.11389253      -2.06565225 
O       1.16076903       7.02128341       9.01690265       0.47183956      -0.57964882      -0.01273287 
O      10.90112556       1.80710620       1.61895943      -0.19708997      -1.02099380      -0.32205637 
O       3.61965281       5.63364926       6.82139554       1.92331229      -1.00875536       1.33425158 
O       3.57034533       1.85535204       6.34037282       1.32266479      -0.80295764       0.06812695 
O       5.45079669       3.38060735       9.09727883      -0.02383023       0.74861468      -1.35448918 
O      10.75053578       5.57587499       1.37335247      -0.51483538      -0.82236569      -0.01667040 
O       1.64495093       7.42668916       6.15544076      -0.12061719       0.90377211       1.10167679 
O      10.58096889       8.88318703       6.53281522       3.56841897      -0.02723250      -2.81914861 
O       3.43253058       1.51676672       3.59736943       0.51370057      -0.92700582       1.25026717 
O       5.41310597      10.88394743       3.61529683       0.52670651      -0.46934442      -2.26367389 
O       5.37532092      10.90884439       1.01176675       2.42154469       1.45536404      -0.58101542 
O       3.33545691       1.59100655       1.05780467      -0.12457944       2.00974692      -1.29184386 
O       3.58534738       1.83400000       9.01768952       0.11233864       2.96206491      -0.62866548 
O       4.73591955      10.70407598       8.81614614       4.06768167       0.43929568      -1.52378798 
O       0.12848802       9.21220261       8.93592987      -1.73420723       1.55257908       2.71585357 
O       3.88262869       5.85296855       4.40779135      -0.31728518      -0.38065112      -1.49299386 
O       4.88577857       3.79097737       3.44263361      -0.55888628      -1.59770888       2.57761114 
O       5.29219906       3.51558988       1.23263312       0.22196778       0.58193015      -3.73495650 
O       8.80941393       7.05240097       6.44605718       2.80138186      -0.82623832       0.97960974 
O       3.36025472       5.32438264       9.60050501      -0.62517922      -0.88608619      -0.30121192 
O       5.68649279       3.31848486       6.12972687      -6.56046828       0.51809046       2.61755564 
O      10.32135354       5.12430997       9.39855720       2.25628607       0.51795502      -0.28340540 
O       9.23222700       0.17156198       6.27349844       0.43567351      -0.15528164      -0.00928876 
O       2.04870922       3.94039694       6.73048581      -1.34334000      -2.65971795      -0.07112821 
O       7.21262820       1.95268153       1.34249553       0.95816604      -0.43720120      -0.87104008 
O       8.90724673      10.59455192       0.72378866       2.95569273       1.66480411       2.79244753 
O       7.36090616       9.34821533       4.29093166       1.70157429      -6.54878192      -2.16669308 
O       6.85759672       1.94495897       3.92669167      -0.02066177      -2.89382473      -1.13397678 
O       3.56390726       9.43876820       6.67321825       0.56461332      -0.92184325       0.30732999 
O       9.05829272       7.36652100       9.23736374       0.35841298      -0.15399719       0.27155108 
O       7.38441039       1.45996128       9.44580661      -2.78308145       1.36779086      -0.64094298 
O       6.95316920       8.89091419       9.69970100      -3.19108745       0.90443276      -3.77933109 
O       5.09192809       7.13255693       8.84456543      -0.17782995      -1.76640500       0.15641655 
O       9.10873009       6.84387028       3.82587581      -1.12033230       1.75399309      -0.33157621 
O       5.31948038       7.60262981       6.10893155       2.50434876       0.89120833       2.16783542 
O       7.21333410       8.92307805       1.43565574      -1.21134645       3.80315276       3.47189505 
O       8.98792223       7.42358927       1.27244478       3.17399465      -1.31873799       1.62130093 
O       7.30444923       5.41638630       9.29475428      -1.37609127       0.17513942      -3.53642586 
O       3.02583860       8.75825138       9.20997270       1.01916728       0.26343400       0.27855372 
O       8.62055692      10.46369148       8.81099596       2.31390201       1.72115239       1.27303848 
O       6.69380671       5.36016417       6.53846124       1.56282596       1.94939600      -0.53467726 
O       5.80508229      10.89058906       6.05885939      -2.44708770       1.45981687       1.43687468 
O       0.09771645       5.40946595       6.77578767      -0.86054599       0.88163728       0.16140543 
O      10.66554954       8.90485789       4.04676929      -0.17856810      -0.83909165      -0.48480627 
O       1.70062538       7.27096047       3.42258764      -0.40042337       1.31666151       1.47821585 
O       3.83900168       8.86468541       3.95962126      -0.62227540       2.22333926      -1.40135792 
O       3.65572555       5.32881094       1.51247396      -2.40617804      -0.40107542      -0.28325907 
O       5.29195562       7.15720508       0.99341865      -0.79866711       1.06736753      -0.27975006 
O       9.23442204       0.17541553       3.72334348      -0.49096919       0.46692002      -2.62185871 
O       8.81116667       3.43379128       8.56005410      -2.21266650       3.43738552       0.42934290 
O       7.51809068       5.57684777       0.84299481      -1.32134984      -2.72436739       3.11989122 
O       9.12688408       3.71334820       0.59507923      -0.66564603      -2.16098445       2.02341300 
O       8.89301621       3.32982739       3.49267303       2.13151077       0.85174275      -0.60904197 
O       7.18924141       4.95642253       3.46389469      -0.76014011       0.27778122       0.93286010 
O       3.73540481       9.37638879       0.93522286      -2.94949094      -2.74000367       0.90741547 
O       9.02752970       4.35966926       5.78928669       1.42529511      -1.05667933       1.25400090 
O       7.39141588       2.00954349       6.60666636       1.95467682      -1.79441334       2.31624953 
O       1.40173715       3.51738491       9.33344012       2.93851446      -1.94527387       0.28200614 
O       7.40125798       9.07720716       7.12621900      -2.28433915      -1.55841467      -1.01102184 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02707290650536498 0.004315775970159507 0.0020563428446202926 0.004315775970159507 -0.021504703297190942 -0.007539969303738825 0.0020563428446202926 -0.007539969303738825 -0.025301233717765156" pbc="T T T" energy=-1058.73404853 free_energy=-1058.73430143 config_type=crystal 
Hf       1.50954781       1.60249555       2.80897749       0.56751114       1.84428702       0.42143358 
Hf       3.46194075       7.35377084       9.84012040      -1.79287769      -0.95667947       2.22415809 
Hf       5.36082065       5.41637392       2.44873676       0.19774097      -2.02765720       2.43909481 
Hf       9.20006172       5.33067960       7.85221914      -2.08418177       1.09104861       1.69645181 
Hf      10.82990356       7.01731373       5.05113081       3.21721322       1.77618361      -0.97661412 
Hf       0.17532350       0.01469013      10.52507059      -7.11419982      -0.93020812      -2.54940362 
Hf       7.16010569       3.34462741       5.20603594      -3.10274418       5.36649954       3.56626738 
Hf       7.22675060       6.96462545       5.15283312      -0.29685707       1.45366098       0.37382296 
Hf       1.72703372       5.47822175       2.30230943       3.58508759      -2.16984377       4.10500746 
Hf      10.31279986       3.52434427       5.47888057       7.62084424      -0.50736429      -2.07352245 
Hf       0.00606086       3.26423217      10.60048664      -1.21858545       1.03653043      -0.80364169 
Hf       1.54647643       5.47581143       8.07485459      -0.99137491      -1.37635898      -2.80544744 
Hf       9.08064735       9.11596423       8.41621131       0.96231924       0.80806822      -3.81615709 
Hf       1.75215539       1.63739940       7.78614938      -4.60778238       0.17734995       1.51675965 
Hf       7.17805534       7.08000221      10.19669997       1.41746401       0.98185112       2.33344802 
Hf       9.13951821       9.14238890       2.62171056      -0.95380806      -1.45833095       1.27490029 
Hf       5.66386964       8.58160538       2.42947553      -0.58599791       3.52675763      -0.02421167 
Hf       5.34019116       9.21200497       7.96264977       2.91728079       1.09941187      -4.50251514 
Hf      10.73943669      10.80993373       5.35884706       3.02979644      -2.40628568      -0.64621009 
Hf       3.37941052       3.92678554       4.99976383       1.30625150      -1.69597250       1.58400811 
Hf      10.81130411       7.23507606       0.21999585       2.08509513       0.94825261      -2.48101334 
Hf       1.79354650       9.27432412       7.59715130      -1.29143093      -3.82349743      -0.61666801 
Hf       7.43194409       3.50029497       0.06172611       0.25079194       0.47584629       1.12512694 
Hf       9.00703924       5.28936321       2.57475004      -0.00061807       0.40940688       1.22587162 
Hf       3.64592201       7.43131927       5.21263464      -0.40014039      -3.83650782       0.57341252 
Hf       3.67173347       0.06539823       0.15660800      -0.23099219       1.07962290      -0.06559691 
Hf       7.23330908      10.71730393       5.48813130      -1.66453309      -0.98317044      -1.76479818 
Hf       5.21210807       1.78892121       2.45911407      -0.05764947       2.71685539       2.49004125 
Hf       5.21766375       1.82775376       7.97900599       1.10419641      -1.00132042      -1.51852133 
Hf       2.26881526       8.89426968       2.26685703      -5.02885773      -1.06318597       1.07975184 
Hf       3.74398687       0.00938436       5.02415483      -0.10101284      -1.74482903       1.38371009 
Hf       3.54573169       3.61981496      10.19472191      -1.54364751      -0.32368425       3.23925408 
Hf       7.40942316       0.10397167      10.58896502       1.45411263       0.09423060       0.24617386 
Hf       8.80668490       1.67790822       2.96895839       0.93017143       0.05874279      -0.41519360 
Hf       5.40387466       5.31834303       7.76488702      -0.45307816      -1.96441717      -2.21683227 
Hf       8.95794705       1.83177823       7.93727866       0.14448057      -1.29500884       1.47935618 
O       0.01088709       8.66759190       1.91035655      -0.22210367      -0.72848623      -1.23516257 
O       5.47166272       7.15648549       3.69472320       0.13715887      -1.45521445      -0.63867088 
O      10.37670303       5.32485637       4.13582702       1.84828380      -0.55948089       0.87391440 
O      10.62788171       1.71512762       4.17639483       0.63192397      -1.15941678       0.40930922 
O       1.28413348      10.65148751       3.47816849       1.72745373      -0.27317786       0.17105362 
O       1.65236957      10.26638345       0.67027771       7.40542506      -1.40553253       3.02136092 
O       1.72122014       3.72342782       0.69377173       0.79369271       1.03106299      -1.61967282 
O       0.08674139       1.65219898       9.46338623       0.76352832       1.69503437       0.03160166 
O       1.32613330      10.65388742       8.79868344       1.76566722       2.31112581       1.13709299 
O       1.88972528      10.69260352       6.32155119      -0.97302279       3.90665794      -2.76177630 
O      10.84085945       2.06728359       7.12318389      -1.71091374      -0.58952413      -2.88548333 
O       1.46189184       3.57264796       3.12649527       0.50309298       0.55242543       1.44457950 
O       2.09514645       7.06192086       1.03460337       1.28877322       1.99371102      -2.44932197 
O       1.55202137       7.33458908       8.94247351       3.02502995       1.01449655       1.80986678 
O       0.17768715       1.45310414       1.32632882       0.37891461       2.04343575       1.09387207 
O       3.85962274       5.52644951       6.55681656      -0.57989397       0.45377521      -0.21220072 
O       3.43405697       2.00227178       7.27601520       4.40929997      -0.79966147      -3.62894088 
O       5.10584363       3.48313963       9.01128831       2.70624211       2.00423379      -2.01310831 
O      10.94538079       5.67066422       1.61713507      -2.90441386       0.69912940      -1.19440565 
O       1.60778084       7.15658443       6.41308123      -0.65608315      -0.04811693      -0.25972289 
O      10.74483340       9.59111368       7.18651658      -0.71251668      -0.45655542      -1.81610208 
O       3.30421434       1.76495320       4.41418182      -0.70785734      -0.19629466      -0.67024030 
O       5.20858287      10.86603481       3.72803555       0.95726436      -0.02486298      -1.33928376 
O       5.40080632       0.43349266       1.10761535       0.83943468      -2.44931600      -3.27456209 
O       3.31446653       1.81430856       1.65986088      -0.77318982      -2.66653890      -0.82473262 
O       3.46536494       1.67080830       9.53842187      -0.15476931      -1.55924838       1.77360867 
O       5.81738576       0.07750735       8.95926988      -2.01824285      -1.40333533       0.64277177 
O      10.43754181       9.06833598       9.76539428       1.93731835      -0.74191075       3.16447744 
O       3.42984165       5.63050851       4.09369313      -0.20272215       0.79524568      -1.11311467 
O       4.74859071       3.56756393       3.38289257       1.64243132       0.29615301      -0.08154717 
O       5.53740442       3.21718229       0.76209452      -0.42962935      -0.22692782       0.19623338 
O       9.10268096       6.93551919       5.73817800      -0.60088947      -0.47152960       4.36148944 
O       3.56491620       5.31503114       8.95828404      -1.87907914       2.77170336       3.17115635 
O       5.34307401       3.48535953       6.10469462      -0.57022201       0.00016378       0.64945515 
O      10.82215044       5.50684430       9.31654213       1.85531779      -0.90035169       1.92526886 
O       9.02743811       0.37727117       6.00995706      -0.90218475       1.76888427       1.98777061 
O       1.81133773       3.44385174       6.07960242      -1.21776136       0.38766370      -1.38083351 
O       7.68667438       1.82382549       1.41017802      -2.04572529      -0.00908161      -1.17113118 
O       9.23324328      10.88922230       0.95554168      -0.68254992      -1.75252677       1.70310428 
O       7.46495167       8.94818394       4.56350163      -1.57066354      -1.19054500      -2.56420954 
O       6.89906989       2.17599724       3.83526792       0.27120073      -4.62796478      -2.66428413 
O       3.57548063       9.04989692       6.37309844       0.23603507       1.14345544       2.47125573 
O       9.45071539       7.21710997       8.60362672      -2.36396821      -1.07451730      -0.62626957 
O       7.52472421       1.89590710       9.51177986      -0.79194529      -0.15030872       1.03312718 
O       7.37948337       9.17938293       9.50971145      -1.97953387      -2.71246412      -0.02118602 
O       5.39881682       7.01213373       8.96662366      -0.61080349       3.09949633       0.13108914 
O       8.66338206       7.08628668       3.46652569       0.51546413       1.57300707      -3.52558323 
O       5.49597025       7.59860447       6.09123607      -0.66062288       0.04461256       1.74646250 
O       7.17738910       9.04501646       1.30348773       1.70360339       1.14495629       1.36674806 
O       9.01128864       6.97779478       0.55532592      -3.45024343      -0.35294817       1.12361325 
O       7.42287614       5.33805003       9.26838777      -0.52607979      -0.80425667       1.31762660 
O       3.52930898       9.23393723       9.00292010       1.01121214      -0.62498314       1.03620790 
O       9.13127491       0.03578120       9.12930826      -1.35163671       2.16911988      -1.19942843 
O       7.06009965       5.56111068       6.76762652       0.80867019       0.61870391       0.68690706 
O       5.35422459       0.05466091       6.37146827      -1.89592817       0.11203626       0.47496771 
O      10.83260356       4.85348061       6.94279403       1.47415715       1.66860801      -1.19995759 
O      10.42981553       9.00329525       4.45335904      -0.65665611       0.83412712       0.13805311 
O       1.65874366       7.20766053       3.70091874      -1.33899387       0.16319744      -1.58226112 
O       3.48735911       8.79438175       3.77481484       1.73602366       2.54149277      -0.49226663 
O       3.67725059       4.93157914       1.70630356      -0.95860516       1.04818257      -3.81420541 
O       5.74261610       7.07567974       1.04781617      -1.51725051      -0.58189470      -0.62966696 
O       8.35561838      10.72896407       3.67012100       1.88646936       3.49233840      -2.09218318 
O       9.36958993       3.53574727       8.99054220      -0.88234499       0.31325583       0.42828295 
O       7.14291112       5.09575392       1.51226393       1.25247018      -0.47651446      -0.26996539 
O       9.42233694       3.64826101       1.32731253      -0.76864124      -0.58350790      -1.43529012 
O       8.98578898       3.53096761       4.03525202      -1.82419094      -1.95391421      -2.96567082 
O       7.17306105       5.22126170       4.24007094      -1.02193047      -2.21056820      -1.72528145 
O       4.01057933       9.12411878       1.08904351      -0.14776763      -0.60090838       0.17993564 
O       8.69418464       3.79450444       6.38056277      -0.56412022      -1.12265814       3.19552292 
O       7.06231353       1.86267755       7.14876364       1.58622867       0.06848849      -2.39076348 
O       1.81928982       3.53233305       8.52839626       0.23735841       0.61704613       2.97447132 
O       7.21358225       9.32120462       6.76563539       0.41621245      -0.72348974       4.87911658 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016348821659200687 0.001264668666172563 0.0012683004130876407 0.001264668666172563 -0.03307203446992153 0.002902012605625459 0.0012683004130876407 0.002902012605625459 0.00012097832254175408" pbc="T T T" energy=-1059.98451177 free_energy=-1059.98451404 config_type=crystal 
Hf       1.44359795       1.58603066       2.78393344       1.00228713       2.29371288      -0.03333186 
Hf       3.51805015       7.28035556       9.83478805       0.09649109       7.31348971       9.29581192 
Hf       5.30487559       5.37896181       2.34477898       0.85425477      -0.65941552       1.91835908 
Hf       9.16533624       5.26482286       7.86789043      -2.31557672       0.77350070       1.94642077 
Hf      10.80770188       6.99030795       5.06193391      -0.01975524       0.87244227      -0.66624796 
Hf       0.18460016       0.00931961      10.50412594      -0.86441561      -1.55610375       0.53094527 
Hf       7.07297919       3.43889809       5.18350044      -0.78470773      -0.27312579       0.45588614 
Hf       7.22814650       6.99359990       5.18232318      -0.43608953      -0.37343149       0.01199620 
Hf       1.74955312       5.48521058       2.40290845       1.55425853       0.27767430      -0.29680685 
Hf      10.40051973       3.52057814       5.49975954       1.65510785       0.92257647      -3.53205753 
Hf       0.04649770       3.27673209      10.56467946      -3.56360386       1.40980438      -1.07984020 
Hf       1.58359558       5.43900595       8.06220662      -2.06643099       0.67613850       0.19506951 
Hf       9.01224093       9.04959267       8.41705387      -0.52598734       2.33301803      -2.29641658 
Hf       1.78132519       1.67519070       7.70397180      -0.11205028       1.81073258      -0.73177899 
Hf       7.15800148       7.05008904      10.16928098      -1.14843133      -0.22083840       2.40552202 
Hf       9.19691143       9.21049238       2.64712269      -2.21427354      -1.13353533      -0.09471346 
Hf       5.72236460       8.58157668       2.44919179      -3.51839861       1.67801123       0.12159132 
Hf       5.36783293       9.29627622       7.87955544      -0.73712020       0.43782867      -0.91594489 
Hf      10.79357522      10.71947497       5.28682708      -0.51375747      -0.27385452       0.33639915 
Hf       3.39292759       3.87633151       5.02506276       2.02144119       0.28303902      -0.25485765 
Hf      10.80354244       7.24327969       0.23110390       0.67935423      -0.22657903      -0.56135564 
Hf       1.79759474       9.24858135       7.64151664       0.16396206      -0.31536499       0.11889408 
Hf       7.40118162       3.47260686       0.16785976       2.68759191       1.09111155       0.72582991 
Hf       9.02269898       5.33085796       2.51458395      -0.30867584      -0.10164997      -0.35094968 
Hf       3.66894145       7.38235154       5.19450507       2.02656886      -0.00120706      -0.73726326 
Hf       3.71966794       0.05628601       0.12642292       0.06203510      -3.46906665      -1.00179060 
Hf       7.23741166      10.74779108       5.39159331      -2.48775440      -0.15472034      -0.75454815 
Hf       5.14603966       1.89422184       2.44671268       1.74386639      -1.14455171       0.96187953 
Hf       5.31163960       1.84754643       8.04795759       1.76112676       0.16239442      -2.11700908 
Hf       2.27738614       8.87469405       2.30873901      -2.11680502      -0.79008816      -0.88030623 
Hf       3.66083181      10.93863507       5.01651248       2.57394806      -0.80356027      -0.08352330 
Hf       3.48334385       3.61339880      10.27203566       1.06505212      -0.62891882       2.14551678 
Hf       7.36274162       0.09576388      10.55071795      -1.02621727      -0.28714263       1.96320265 
Hf       8.79781382       1.69389598       3.02528327      -0.74669492       4.17713259      -5.89266288 
Hf       5.41519155       5.30739624       7.82794080       2.04353209      -0.53167836      -0.37091678 
Hf       8.91507589       1.75472578       7.94658892       0.46731973       3.70655688      -1.17446032 
O       0.02381714       8.80430997       1.97844209      -0.32317321      -1.13325476      -1.93514074 
O       5.44051646       7.00424979       3.67983644       1.83510220       0.66359138       0.86374725 
O      10.49227930       5.31714017       3.99077667       1.51298428       0.20575260       1.85782693 
O      10.53707543       1.73408950       4.03133215       3.12376650      -1.35558023       0.43204234 
O       1.53667026      10.59042578       3.24869964       0.11770690       1.79533898       2.42683990 
O       1.96804885      10.32069136       0.81397987      -2.21140379       1.94862946      -1.21250069 
O       1.77481404       3.78228598       0.50096709      -1.13445504       0.92099997       1.85120267 
O      10.78069107       1.68953111       9.34205397       1.84009036      -1.89625701       0.47515335 
O       1.60205819      10.93751011       8.76501533      -0.44584619      -0.88682164       0.02927180 
O       1.86403226      10.79195022       6.02831972      -2.69765212       0.25252114       1.18699498 
O      10.89152997       1.98739101       6.55103396      -0.06706408      -2.60267714       2.48363497 
O       1.62370440       3.68838013       3.37380669       0.48844165      -0.90137876      -0.59762653 
O       1.99284173       7.12039106       0.96575200       0.17029977       0.36921719      -0.22508304 
O       1.74345337       7.24673730       9.21222700      -2.64652834       2.18387405      -4.22466576 
O       0.17790703       1.59474221       1.22573373       1.49375125      -0.00929717       0.66126007 
O       4.10514527       5.35579897       6.43775327      -2.98518990       2.77136609      -0.39411311 
O       3.63795163       1.91939807       7.13332183      -3.33507996       0.28067592      -0.39904608 
O       5.06628886       3.63535265       9.04031132       1.21755592       1.55072632      -2.09014627 
O      10.89780282       5.70597683       1.43849921      -0.77545473      -1.49548933       2.39698427 
O       1.60031476       7.18524105       6.51878132      -0.19679016       0.02925055      -0.87337999 
O      10.66874924       9.62463619       7.07856027       1.19302346      -0.72998527       0.48177866 
O       3.50991270       1.85598069       4.62941110      -1.63581118      -0.48899793      -1.45372061 
O       5.12561746       0.02239582       3.62880756       0.40644970      -0.12251576      -1.07743899 
O       5.45715325       0.35173876       0.77744216       0.19409216       0.48207127       2.68631314 
O       3.27905334       2.06857355       1.76209241      -0.74080459      -2.38378235      -0.90396513 
O       3.64177692       1.48673862       9.51888184      -1.33604471       3.59237302      -0.14888155 
O       5.77812362       0.29910713       9.09841050       0.04137183      -3.96439745      -1.42428126 
O      10.88310480       8.92252071       9.77699817      -1.69461352       3.15503288      -0.93790615 
O       3.48687124       5.83958196       3.89582834      -1.69487335      -2.50606052      -0.10643373 
O       4.75952667       3.63741073       3.48971828       1.96586216      -0.21451399      -1.63698659 
O       5.65642219       3.20163200       0.81913111      -3.83561661       0.22822250       1.39560894 
O       9.11203015       7.06923531       6.05645501       0.85213742      -0.86425897       0.49269810 
O       3.28111515       5.61359398       9.26544045       1.11297607      -8.60410009      -2.88380286 
O       5.44414662       3.52958102       6.22234851      -1.16457345      -0.36152843       1.45317902 
O      10.89473854       5.59009358       9.53564133       0.84554488      -0.97028304      -1.69424758 
O       8.96751350       0.23049715       6.03329612       1.92560879       0.40532118       1.21754586 
O       1.74279941       3.65179081       5.92324143      -1.61634358       0.17701083       1.45879162 
O       7.45258071       1.63500496       1.24709972       1.34198694       0.94219623       3.05212846 
O       9.25188568      10.77804312       1.28412180       1.49288133      -0.08233368      -2.56370020 
O       7.46058604       8.90687883       4.60037671      -1.01036389       1.34539503      -1.31696154 
O       6.97508032       1.74152467       3.90765428      -1.27498355       1.46654227       1.54725478 
O       3.63197678       9.12900910       6.46689682      -2.51932737      -0.18217114       1.35656721 
O       9.09651207       7.21728625       8.71838453      -0.70645121      -1.67580069       0.49173541 
O       7.34658327       1.96640271       9.62103492       0.51890055       0.36137238      -3.95926481 
O       7.19339483       8.92593625       9.66635273       1.43092589       2.30536125      -1.36239476 
O       5.28316737       7.31132785       9.05624111       1.91860830      -1.10630543      -3.05307613 
O       8.71094710       7.10865631       3.32625276      -0.00254594       0.89337905       0.37593159 
O       5.59186165       7.91855210       6.27082823      -1.53753859      -2.82103550      -1.37896888 
O       7.15945961       9.31913854       1.45119523       1.73504324       0.49008283       0.94739652 
O       8.59507096       7.02975810       0.76809480       4.19291872       0.31432561       0.77435691 
O       7.32277720       5.32233507       9.24755939      -0.36775539      -2.01090654       0.63652449 
O       3.66699643       9.36054302       9.20488343      -0.78179179      -0.13336919      -0.84966842 
O       8.85734205       0.23020966       8.98519348       0.30033931      -5.64724918       1.98758291 
O       7.14962605       5.62453091       6.85294337      -0.70742534       0.77299783       0.00041410 
O       5.13021361       0.23110203       6.41793784       2.06224417      -1.76659129       0.01864949 
O      10.85733530       4.95387789       6.84897142       0.61121927       1.93505695       0.31976436 
O      10.26537879       8.91220378       4.49363912       1.26713802       1.47390787       0.28934318 
O       1.62751259       7.33693443       3.43837255      -1.74820101      -1.35992229       2.59789251 
O       3.81494757       8.81452775       3.61251171      -0.65832514       0.25886157       3.60477653 
O       3.71339081       4.98891561       1.21288114      -0.46152089       0.38806936       0.11689984 
O       5.49512554       7.04732057       1.12252550       1.10039634      -0.25146958      -1.52664238 
O       8.49873135       0.01198981       3.58476375       0.38401185      -5.61083750       2.50011373 
O       9.47258937       3.53541607       9.06954628      -1.69037782       1.14383976      -1.06245223 
O       7.20551666       5.10989155       1.53203919      -0.38340879      -0.56745243       0.38389543 
O       9.39308858       3.54094984       1.35774325      -0.48800082      -0.16191653      -1.17011908 
O       8.79272860       3.49663183       4.03587722       1.46059452       0.16051780      -0.74226969 
O       6.92873151       5.17410718       4.21382379       0.44898092       0.42963343      -0.32957842 
O       3.94473530       8.97051150       1.24721579       1.86806664       0.64828572      -1.21021701 
O       8.65341900       3.76601402       6.52656728       1.70837697      -0.24557513       0.14732488 
O       7.29700145       1.86183306       6.78465269      -1.50076866      -1.36034205       0.78001828 
O       1.65982918       3.45613024       8.72133780       0.88760728       0.64404306      -0.12787942 
O       7.15266656       9.26935853       7.19421654       4.35250305       2.21237626      -0.23513606 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01082758535156875 -0.0035743449977072594 0.007479224683740935 -0.0035743449977072594 0.004128701052133091 -0.0004367592629398079 0.007479224683740935 -0.0004367592629398079 0.016128476507850438" pbc="T T T" energy=-1061.83895136 free_energy=-1061.83895688 config_type=crystal 
Hf       1.40986431       1.63047455       2.75625063       5.34298914       0.27962007      -1.09203976 
Hf       3.58208359       7.29187010      10.03163628      -0.64209353       0.68269266       0.58555637 
Hf       5.24471893       5.30955774       2.23831785       0.32394496       1.10976720       1.22682886 
Hf       9.06269835       5.21415695       7.93897899      -0.03560911       1.51042987      -1.30620754 
Hf      10.79003654       6.99254364       5.09119162       1.77750042      -0.92201445       2.51723700 
Hf       0.16124372      10.91889115      10.48523714       3.24230833       1.29758595      -1.63735757 
Hf       6.91389369       3.56893880       5.18766531       1.20627012      -2.66636197       0.37430800 
Hf       7.21963325       7.04291899       5.22830349      -0.18633675       0.85645468      -1.26819893 
Hf       1.81296612       5.47744015       2.54805339      -3.08301403      -1.16529368      -1.81312090 
Hf      10.61242707       3.52752403       5.45619105       0.95459296       0.26087255      -0.08074908 
Hf       0.01554996       3.33563856      10.46424232      -0.57783008       0.24548878      -1.61837959 
Hf       1.57614155       5.40499316       8.03175049      -0.61691386       1.22342564      -2.88450828 
Hf       8.93734714       8.98995807       8.34698187       0.84247500       0.27401149      -2.67678696 
Hf       1.78510852       1.77256631       7.56615852      -3.72007473      -2.26638711       1.14220170 
Hf       7.11724154       6.99996676      10.20827538      -2.57922931       0.09291591       3.21660526 
Hf       9.22448034       9.25602595       2.67693491      -0.06436387      -2.10222426      -1.18954876 
Hf       5.73123600       8.65110532       2.48698989      -0.48432357       2.22726022       2.42235218 
Hf       5.40282595       9.42785537       7.72626081      -1.70230141      -4.48299648      -2.13206505 
Hf      10.84124116      10.59933125       5.20009795      -0.87684656       1.98728831       4.47650837 
Hf       3.43876093       3.80107979       5.06148580      -1.61793444      -0.63803754       0.04306288 
Hf      10.80982099       7.25832579       0.22890784       0.95229426      -0.08969943      -0.71784196 
Hf       1.76622366       9.19396241       7.73025083      -0.10826686       2.72480011       0.29159440 
Hf       7.40614863       3.45069354       0.33334447      -2.13634445      -0.29211731      -3.69959797 
Hf       9.03909507       5.40718074       2.42946139      -0.93944395       0.48835924       2.26085604 
Hf       3.74753595       7.29424931       5.16986301      -1.82242977       1.22235880       0.40926803 
Hf       3.80341079      10.93045280       0.02574599      -2.08838333       0.35567433      -0.95465531 
Hf       7.19996756      10.80158756       5.23846534       0.84672069       0.16974446       3.29950010 
Hf       5.07326706       1.98600080       2.46322632      -0.92638815      -4.37311333       1.20613684 
Hf       5.47638739       1.87362818       8.08210060      -1.62523581      -0.55525472      -3.17885215 
Hf       2.21722346       8.84061749       2.34440239      -1.28810993       1.55682169      -0.04957959 
Hf       3.59061930      10.88121664       5.00613645       0.77893204      -0.65446215       0.50102817 
Hf       3.40597016       3.56373580      10.43461132      -0.14329428       1.72623802       0.46207236 
Hf       7.26663317       0.05700023      10.55686161      -0.08240483      -2.27716625       1.16110618 
Hf       8.76633077       1.75508755       2.97506039       1.00777802      -0.32721094       1.35800472 
Hf       5.47237574       5.31558234       7.86997658      -1.68384437      -1.55476591      -0.05699975 
Hf       8.86897611       1.69264536       7.93148777       1.31154261      -1.29147404      -2.14880027 
O       0.11269090       8.63860233       1.57245734      -1.04246058       1.53293785       2.77975467 
O       5.70338716       7.03535081       3.68137137      -1.78807378      -0.46915969      -2.34539349 
O      10.92391020       5.16659630       4.14645953      -0.96810167      -0.04136994      -0.44820879 
O      10.82490478       1.50173410       3.87393122      -2.10830615       0.73019836       0.82852845 
O       2.04980526      10.66979225       3.55675102      -1.73060332      -0.84774559      -1.48874554 
O       1.86040023      10.63885415       0.96207341       1.77594402      -1.40447342       0.16672123 
O       1.51179762       4.15421008       0.89877113       2.41523354      -0.67744269      -0.89876188 
O      10.71227118       1.45756323       9.26377000      -1.09874713       1.81058817      -0.64567634 
O       1.91873830       0.10046849       8.75468671       0.08825215       0.02338377       0.15286625 
O       1.75031971       0.11444364       5.96648382      -0.41746969      -0.69654688       0.30280851 
O      10.91590531       1.69019746       6.44009441       0.10831504       2.41760857       0.68124579 
O       2.01741943       3.63456020       3.48036093      -0.77518555      -0.96848488      -0.44668524 
O       1.94775538       7.34841018       0.84309356       0.80312972      -0.65704973      -0.33639844 
O       1.89492927       7.56198524       8.64716917       1.75604349      -5.18567524       3.62864353 
O       0.40269698       1.83729534       1.07622653      -0.02050911      -0.19977096       0.88858400 
O       3.75848505       5.73592089       6.23770794       1.15013287      -4.89311459       2.86723200 
O       3.46453930       1.91681092       6.88193875       3.82422960       0.76612964      -0.85899266 
O       5.20651656       3.55776105       8.96087879      -0.85978073       2.43241002       0.02666994 
O      10.73279418       5.53056141       1.62001372       1.04740353       1.57185579      -1.31549873 
O       1.59551527       7.26999678       6.24893929      -0.15914825      -0.23608403      -1.32559927 
O      10.91563908       9.35503620       7.13325540      -2.98489975       0.58061718      -1.75764029 
O       3.41765364       1.83694793       4.38344541       0.74513642       1.02499588      -0.81120669 
O       5.00709096       0.04874993       3.28953275       0.30693203       0.16324494       0.98162178 
O       5.51961505       0.37600258       0.94806811      -0.80232840       0.44570610      -1.88816707 
O       3.23904126       1.77215447       1.61662233       0.95187398       0.56658696      -0.80795881 
O       3.74527003       1.91983401       9.54428780       0.18956754      -4.44740574       0.56218923 
O       5.70537031      10.81808741       8.92617330       0.31831842       4.52792235       3.82145854 
O       0.03484096       9.20695830       9.64757564      -1.95909366      -4.16535955      -0.89811681 
O       3.37438424       5.61343128       3.63287475       3.21720887       0.95692479       2.01339038 
O       5.22181037       3.69217167       3.55702886      -0.65128712      -0.86342297       1.37995487 
O       5.20372793       3.43345899       0.92710039       1.01711455      -0.04650723       0.64532075 
O       9.22862763       7.09954826       6.50759281      -2.16959119       1.64169123      -1.20807456 
O       3.30599535       5.12964028       8.99685030       1.38894532       2.46882789       0.91775582 
O       5.43269409       3.56285603       6.55420566      -0.01379898       0.94235329      -1.55715904 
O       0.24313807       5.51339533       9.47213103      -1.57480701       0.74486539       0.54796407 
O       9.08206681       0.16583582       6.40025107       1.00251089      -0.41247979      -1.05952703 
O       1.57668377       3.91370111       6.08071060       1.69296642      -0.59155838       0.81954485 
O       7.42060584       1.74937421       1.62057440      -2.00856066      -0.42477024      -2.07294754 
O       9.67802489      10.80823281       0.99357883      -4.98020193      -0.44085642       4.58063381 
O       7.02537428       8.95110327       4.32107455       0.61499603       0.84760273       0.60442090 
O       6.95974860       1.58725280       4.21629439       1.00472766       2.17204899      -1.89195701 
O       3.40228763       9.21814208       6.71150348       2.48276883      -0.14515508      -1.49824397 
O       8.53851861       6.94661751       9.07177359       5.53461877       0.43710019      -4.31024074 
O       7.19806801       2.12807383       9.06259577       1.34588142      -1.38063282       3.51020717 
O       7.23653759       8.99620891       9.84907108      -0.12264185      -0.67128790       0.54328023 
O       5.35074880       7.26728517       8.61422511      -0.05560031      -1.16586385       2.13259647 
O       8.78420330       7.16199110       3.44197451       0.12374448      -0.79212444       0.76061258 
O       5.42873810       7.69437185       6.10811290       1.94870595       0.13456632       0.49502917 
O       7.37631095       9.68967977       1.91715677       0.21418296      -0.38090759      -1.47355243 
O       8.91947221       7.15753431       0.93336363      -1.40807499      -0.37780761      -0.38861754 
O       7.02689880       4.88369835       9.55517371       0.25079825       3.06923092      -0.97894516 
O       3.72024237       9.28268552       9.32644879       0.49997213      -1.00384054       1.19674807 
O       8.69578794      10.73692963       9.19323691       1.05559182       2.78664459      -0.72085649 
O       7.14747375       5.81132447       6.86747343       0.24418724      -2.23455190       1.02254142 
O       5.36555693      10.86058956       6.38351646      -1.10757997       0.67327898      -2.41651006 
O      10.75808589       5.47373757       6.77921563      -0.34608457      -2.90409768       1.06578033 
O      10.35022874       8.81277643       4.43669883       0.19665185       2.09687489      -0.87541283 
O       1.28099973       7.30385103       3.60546851       2.56420584       0.71262731      -2.22850081 
O       3.98039215       8.96192550       4.17310388      -1.11635639       0.62858781      -3.11229393 
O       3.76930016       5.56594721       0.99163489      -2.01711133      -1.08572779      -0.31380923 
O       5.54534971       6.97077143       0.85659696       1.23098032       1.48413287       1.20169846 
O       8.95368834      10.79988083       3.99245956       0.15142590       1.08500084      -2.40819608 
O       9.26867685       3.58939311       9.12870198       0.57152337       0.25467955      -0.01724274 
O       7.16363253       4.94952167       1.58608032       0.85549338       1.17828885       0.51738329 
O       9.14108349       3.35017564       1.09062702       2.86932635       0.71276341       1.41933506 
O       8.83555933       3.55232425       3.88821001       0.53060107      -0.70113067      -0.32849517 
O       6.89502954       5.19376992       4.18576047       1.99204145       1.39247417       1.44271306 
O       4.12491285       8.93248958       1.29881937      -2.37032747       0.61835827       0.01016611 
O       8.91365654       3.50565552       6.56502268      -1.06307386       1.11978561       0.13812182 
O       7.20163835       1.58225467       6.59004569      -0.90754234       1.27244967       2.10631346 
O       1.56829706       3.34806124       8.87823969      -0.34925197       0.83891401       0.66528040 
O       7.40883636       9.72527571       7.24873290      -0.61866468      -2.90741498      -0.66420321 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009555373259881737 -0.0023024067584746523 0.002429963781431306 -0.0023024067584746523 -0.025676015887349045 0.0064607391879376004 0.002429963781431306 0.0064607391879376004 -0.014537234339601218" pbc="T T T" energy=-1062.99490731 free_energy=-1062.99490766 config_type=crystal 
Hf       1.87574926       1.91527643       2.99017207      -1.07293611      -1.43441210      -1.31412783 
Hf       3.39892086       7.36634110       0.19077673      -2.35515770      -3.39290980       1.54838416 
Hf       5.37981704       5.59507801       2.28756201       0.89560206      -0.82143423       2.12172232 
Hf       9.17135886       5.35105655       7.42694668       1.67919288       0.54619458       0.88478711 
Hf      10.70947236       7.46253018       5.26752056       1.04775782      -3.21140671      -0.73912997 
Hf      10.73406256      10.64053885      10.39131823      -0.64784464      -2.51930494       2.32332522 
Hf       7.31028462       3.49610123       5.13306446      -0.57138296       0.71881452      -1.22229626 
Hf       7.05329871       7.27884999       5.37555117       1.43171889       1.15715684      -1.79623987 
Hf       1.61243122       5.56339764       2.42215533       0.69221481      -0.04707807      -0.24779335 
Hf       0.10385170       3.96689819       5.01528812       1.87571497      -4.38991600       2.22535362 
Hf       0.09761884       3.26397789      10.62262122       0.76607523       0.86413634      -1.04770330 
Hf       1.97592238       5.34230041       7.92107582      -2.53551571      -1.31779230       1.12883157 
Hf       9.04422270       8.96888924       7.85354542      -0.01330720      -2.81161398      -0.96433564 
Hf       1.72142195       1.52731844       7.94090496       0.36101636      -0.55507504      -0.60189681 
Hf       6.99758285       7.10917212      10.46631795       1.78199809      -0.40544029       0.98332422 
Hf       8.87942244       9.16263186       2.50039041      -0.98925929       0.76834947       0.65547326 
Hf       5.26087684       9.33436891       2.63987031       0.18403444       1.80084194      -0.85502530 
Hf       5.24627041       9.03349973       8.21176526       2.16245679      -1.35108920      -2.52689161 
Hf       0.03111230      10.92699092       4.94273967      -0.60407286       1.95184489       1.86678790 
Hf       3.72763066       3.86490024       5.50927239       0.71254740      -2.41507663      -0.22260864 
Hf      10.60404453       6.68627775      10.22894836       1.04428231       1.72565611       0.21030315 
Hf       1.88553286       8.49234893       7.71673414      -0.13373956       4.38101146      -1.04784961 
Hf       7.46481713       3.37432146      10.45679553      -2.17061811       0.84161085      -0.00774090 
Hf       9.14200303       5.62431661       2.61826846      -2.48757124       0.41733181       0.09844985 
Hf       3.69069908       7.32266786       4.88427603      -0.37260056      -1.22465350      -0.87782028 
Hf       3.11288051      10.86647787      10.47195068       1.27510356      -0.96252636       1.48437251 
Hf       7.40509039       0.07246003       5.01148730       0.72507996       0.17722101      -0.34923543 
Hf       5.15018684       1.85859162       2.85013446       3.06412266      -0.49567800       0.06887167 
Hf       5.47715683       1.62960344       7.71183928       1.21261360       0.16582441      -0.98924946 
Hf       1.47555715       9.05556490       2.64931099       0.09765292      -0.31476815      -3.00451077 
Hf       3.49672244      10.74747347       5.45432311      -0.42155206       3.98544161      -0.05536386 
Hf       3.81217449       3.32913979      10.39544718      -2.29853778       2.67020259       1.50549559 
Hf       6.97598353      10.89992204       0.04373610      -1.19857612      -1.68048958      -1.08881121 
Hf       8.74797619       1.89200676       2.26949611       1.28449267      -2.04395368       3.14663215 
Hf       5.71630242       5.15531523       7.97621939       0.15957792      -0.14124371      -0.38590652 
Hf       9.17809330       1.69675671       8.02985970      -2.28171356      -1.29524250      -1.69878882 
O      10.64757107       9.03986035       1.53468719       1.09781672       1.51074628       2.78051274 
O       5.28547339       7.57529996       3.31390941       1.02544789      -3.84488735       0.60425759 
O      10.77046967       5.57582262       4.10533422      -0.36433892       1.92969711      -2.86343597 
O       0.23036732       1.92875318       4.64396656       0.71475227       0.93308196      -1.83272284 
O       1.90958533      10.90846411       3.89163244      -0.78482071      -1.45442259      -2.34921857 
O       1.83618397      10.72903518       1.30496612      -1.75554060       0.29907248      -2.02379936 
O       1.63659917       3.57457665       1.00709637       3.56224311      -0.27420400       0.91271382 
O       0.19203370       1.49862753       9.64355820      -1.02181404       1.06053427      -0.12742854 
O       1.62714141      10.61313286       9.01896787      -0.08796411       0.34949607       0.31477511 
O       1.60890898      10.82510122       6.27418880      -0.61008130       0.57071787       1.53362808 
O      10.87884620       1.78863208       7.18153753      -0.10270374       0.17069719      -0.95778348 
O       2.02853857       3.79243123       3.65645519      -0.93407612       0.69101928      -0.27133950 
O       1.52671696       7.24792591       1.16656368      -0.54068324       0.52366378      -1.20696228 
O       1.34936660       7.16112043       8.91255106      -0.45066283      -3.96613292       1.38651346 
O      10.84742056       1.73155318       1.79994154       0.84108739      -0.22356014       0.59153248 
O       3.88093654       5.11280803       7.27682949      -0.43843477      -0.34570326      -0.97915818 
O       3.76791926       2.10397863       6.91410243      -2.58451696      -1.85455412      -0.06508486 
O       5.44461674       3.28926620       9.23543425       1.11056112       0.50148554      -0.93814665 
O      10.87735520       5.34907571       1.21004044      -1.82636713      -0.58858862       1.65693306 
O       2.39781318       7.08195895       6.39151106      -0.36235764       0.16435812       0.94388569 
O       0.04299014       8.41638463       6.98701216      -1.43792444       2.95607327       0.80408124 
O       3.47230184       1.59619454       4.38560926       0.71288362       1.36991303      -0.70165050 
O       6.20870527       0.04911783       3.29459503      -3.49517089      -0.34923063      -1.15648703 
O       5.12584195      10.83905379       0.65396294      -2.50891660      -1.20411782       0.72512500 
O       3.58111179       1.58164256       1.79502297      -2.40760460       0.50853552      -1.88494794 
O       3.46943181       1.63036565       9.29623756      -0.09349661      -1.86428241       2.13301809 
O       5.87222219      10.84303586       8.84356556      -1.85818853       0.65060651      -1.45824054 
O      10.57869125       8.71666207       9.89359969      -0.78543040       1.26738375      -2.43844560 
O       3.95807039       5.45507041       4.32297235       0.85118871       0.04507930       0.26740032 
O       5.27365910       3.25449371       4.15787167       0.68587090       1.88500828       0.34241845 
O       5.02948689       3.72339068       1.28811735      -0.49164801      -0.05296020       0.37678582 
O       9.04459761       7.17643440       6.21242400      -3.33275722       0.12482118       1.03055935 
O       3.30235522       5.34028560       9.91787494      -0.06549302      -0.92369592      -0.88586824 
O       5.66869280       3.39250908       6.62770455       0.10437113       2.88652103      -0.49152372 
O       0.06663001       4.92571626       9.19617200      -1.91251937       0.59218182       1.13802668 
O       9.24551806      10.48132451       5.93138941      -0.06472050      -0.46807366       2.07490187 
O       1.78004049       3.99608366       6.16696111      -0.13663714       0.87346606       0.21608286 
O       6.86015308       1.87674834       1.24178054       0.91127220       0.28155660       0.84933662 
O       8.80980221      10.82208065       0.75020035       2.42630428       0.30452235       1.07952186 
O       7.52136193       9.15535982       4.31961869      -0.84662202      -1.60502921       0.34615850 
O       7.29400203       1.81116627       3.92272025       1.81075543       2.25887763       0.38461320 
O       3.60274814       9.63992584       7.10420294       0.86206056      -0.87839842       1.99638565 
O       9.09009580       6.89584554       8.77855902      -0.49773022       0.70552488       0.35227300 
O       7.51369744       1.46278355       9.55657142       0.67825742       1.81087717      -1.20533466 
O       6.95119449       8.83727745       9.60621576       1.19567144       1.81356413       0.50124168 
O       5.26042008       7.14030228       8.75938483      -0.07915871      -1.35590180       0.14248319 
O       9.08859746       7.43806543       3.80731567       0.79239441      -0.89219328      -2.58967537 
O       5.25103156       7.64233512       6.01247189      -0.11556161      -2.41555445       1.21416838 
O       7.01781003       9.21442832       1.68020639       0.77731380      -1.33196829      -1.15279565 
O       8.93079852       7.02263944       0.91063554      -0.76434422       0.09171204       0.51039071 
O       7.00419753       5.44231324       9.49512496       0.54846696      -2.68751475      -1.61482691 
O       2.98871660       8.61484819       9.42234054       3.42468072       3.56267881       0.81753243 
O       9.27011921      10.71207463       8.67155177       0.65085759       0.35711473       0.86464021 
O       7.34428492       5.30216464       6.42180467      -1.61939164       1.25243049       2.51673461 
O       5.63537396       0.14380736       5.82584758      -1.81518330       0.93465014       2.60747021 
O       0.05085896       6.02132743       6.91327719       0.44404509      -2.81578378      -1.68709331 
O       0.38806809       9.04907446       4.33794107      -1.22547335       1.19022898      -0.45508676 
O       1.69096624       7.17014171       3.76119293       1.17466228       0.42362066      -0.14378261 
O       4.21955275       9.20917876       4.66377200      -0.96721924       1.03865641      -3.74527532 
O       3.44595277       5.94465362       1.86977492      -0.26702013      -0.96801321       0.23413711 
O       5.23301880       6.96341317       0.71078600       2.08637285       0.52584459       0.93970440 
O       9.21526766       0.10317506       3.45981964       0.29413873      -0.71035912      -0.75899911 
O       8.62043783       3.38581715       8.80850963       1.29787391       3.23701429      -0.73384214 
O       7.12807001       5.21606757       1.27505973       1.25689393      -0.24431185       0.71244694 
O       9.24702593       3.09466759       0.80532968      -2.55882587       2.16525069      -1.88027826 
O       8.88453856       3.72143964       3.41816257       1.09413047      -0.52332669      -1.38058168 
O       7.10555883       5.38717816       3.92318176      -0.47291902       1.58859632       0.03464827 
O       3.41318151       8.90598121       1.73495594       0.95319468      -0.16762048      -0.16930329 
O       9.32873687       3.82853290       5.89242520      -0.82087261       0.38232556       1.85150299 
O       7.44897596       1.97238907       6.56750891       2.13695956      -2.34967484       1.68311740 
O       1.64514803       3.37608439       8.60607437       1.70073798       0.29048108       1.12110430 
O       6.97869262       8.61140198       7.09621897       2.93051955       1.00063550       0.35863858 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015050011669724648 -0.004190084771457926 -0.004153917373152572 -0.004190084771457926 -0.006392766550847426 -0.001284077038256081 -0.004153917373152572 -0.001284077038256081 -0.0035822941025903656" pbc="T T T" energy=-1061.80936129 free_energy=-1061.8094717 config_type=crystal 
Hf       1.62132804       1.72754153       2.65715678       0.95563097      -0.15778299       0.36202228 
Hf       3.50409309       7.18193705      10.21950332      -1.40984279       0.40936717      -1.24811929 
Hf       5.37417711       5.83119558       2.72844325      -0.40274605      -4.61525875      -1.49333639 
Hf       8.82465723       5.33273746       7.68394676       3.05030076       2.38851083       0.41352795 
Hf      10.77106787       7.10441798       5.33440387      -0.28316267       3.46024387      -0.05323438 
Hf      10.93409961      10.73332708      10.56189073      -0.51219447      -2.59312414      -0.23754143 
Hf       7.46654961       3.62063929       5.31628472      -1.57960430      -1.61415388      -2.38140674 
Hf       7.25089378       7.58897655       5.17516635       1.37935695       1.49819534      -1.31538887 
Hf       1.89579063       5.78616938       2.76383081      -0.32460002      -5.52409432      -1.09331429 
Hf       0.30561313       3.59489828       5.39099043       0.44531310      -1.25617825      -3.11766496 
Hf      10.88267566       3.35918322       0.14456599       0.12031175       1.49860688      -1.50876214 
Hf       1.71448768       5.11220940       8.08855910      -0.63636515      -0.10294926       1.64186585 
Hf       8.83336320       8.85102350       7.89191601       1.73382868      -1.90853310      -0.56585110 
Hf       1.69150823       1.63111087       7.79111365       1.50645077      -0.36458783      -1.81013593 
Hf       7.30844105       7.05659274      10.50281432       0.35983785       3.96411931       2.24209400 
Hf       9.16536966       8.55976350       2.52186131      -1.40728818       1.50812204       2.69921973 
Hf       5.06494960       9.19221339       2.45991549       1.84207499       0.87202226      -1.45135236 
Hf       5.28578027       8.90223458       7.79740347       1.99125600       0.48404587      -0.56623613 
Hf      10.81245065      10.81561299       5.27190354       1.59019201      -0.45386354      -0.77627166 
Hf       3.71604425       3.67107348       5.13014095      -0.90149995      -2.91311564      -1.56820601 
Hf       0.22871296       6.87729320       0.07088863       0.57566144      -0.76377780      -2.06411237 
Hf       1.70492944       9.24746548       7.75610205      -2.80413798      -2.26983725       2.53883268 
Hf       7.01524425       4.02927475      10.21761678      -0.65614426      -3.27732436       0.63595119 
Hf       8.73799790       5.02143171       2.71411483       0.28790869       3.65965123      -1.86058223 
Hf       3.32846074       7.42601558       5.27179757      -0.05593081      -0.04586576       0.48707243 
Hf       3.35497250      10.90710436      10.50091343       1.33806222      -0.95179849      -1.03726950 
Hf       7.50290501       0.20676952       5.06879865      -0.80906572      -1.87719790      -0.25390351 
Hf       5.35301308       1.72214647       2.40467594      -2.09590401       1.29973318       2.93411758 
Hf       5.57058587       1.51900108       7.78571975      -0.79595665       2.93875943      -1.25408122 
Hf       1.65711111       9.11770098       2.50234359      -0.77957871       2.12388572       2.40140335 
Hf       3.76227835      10.92830279       5.22087732      -0.86311685       3.94380906       1.19444694 
Hf       3.71330864       3.52033897       0.13083736      -2.91690801      -0.96923802      -0.99283928 
Hf       7.03019251       0.01369182      10.52624999       1.87990797      -0.28432110       0.72515840 
Hf       8.88127543       1.51201839       2.42223835       0.29483333       0.94390659       0.94600871 
Hf       5.42216395       5.64058835       7.50087488      -1.39553935      -1.85794275      -0.53061209 
Hf       9.00536462       1.36482266       8.04349564       1.16704371      -0.63627889      -0.89680569 
O      10.90462545       9.02294965       1.64110198      -1.31004313       0.52245432      -1.79615139 
O       5.52990865       7.50223450       3.68063276      -0.89886808       1.93537143      -0.53525899 
O       0.37388018       5.51389032       4.22089409      -0.59684762      -1.63539261       0.77836776 
O       0.62831170       1.76276266       4.52418379      -2.28723038       2.27413879       1.00103819 
O       1.00177358      10.74415884       3.39836043       1.51185241       0.91794741      -1.19631157 
O       1.68979844       0.20180240       0.79491304      -3.00823781      -0.25113927       1.71974181 
O       1.73072830       2.99981865       0.55779323       3.85387393      -1.75309075       1.91799218 
O      10.25710876       1.44524343       9.73389248       0.02950831       1.71863246      -0.23021327 
O       1.55321985      10.95488895       8.94981272      -0.28981625       0.72072555       0.24981462 
O       1.70644674       0.06130386       6.19229480       2.51473483      -0.69901513       0.50609390 
O      10.79680351       1.56242640       7.03031938      -0.50759402       1.16024048       0.36678003 
O       2.12937211       3.52346768       3.63161468      -1.27801630       3.64743912      -0.21898704 
O       2.15872587       6.91775502       1.10336046      -1.71199025       1.78261989      -0.53045318 
O       1.88768297       7.30346100       8.77463447      -0.52018620      -4.02421636      -0.74832016 
O      10.76411990       2.12026308       1.77034243      -1.69024440      -1.95356839       0.76039768 
O       3.27608821       5.65986171       6.96571164       2.39890924       0.57843019      -2.26778243 
O       4.01270928       2.00014609       6.56272820      -0.24794458      -1.35648684       1.12697633 
O       5.49484595       3.80324590       8.80113608       0.52979501      -1.04432308      -0.30000902 
O       0.63300426       4.90622959       1.31133778      -0.92013432       2.61321731       2.70014153 
O       1.61169629       7.98862853       5.97411927       1.29554373      -1.62377885       1.25185141 
O      10.81062659       9.19355068       6.97464394      -0.88170595       0.95864964       1.59265139 
O       3.08302278       1.64037340       4.12777778       3.83688776      -2.80515281       1.87464802 
O       5.58913438      10.87709182       3.44016471      -0.41370547      -0.26533629      -0.42139479 
O       5.29963292      10.33111435       0.60790440       1.13868402       0.52137651      -0.00593744 
O       3.68854337       1.23771181       1.50623665      -0.40418976       1.27577726       0.67213841 
O       3.79626244       1.65910236       9.54856406       0.50520154       0.53467725      -1.43284639 
O       5.44029777      10.75468712       8.59985970       0.97253758      -0.75735287       1.65831110 
O       0.42281746       8.74280210       9.81056466      -1.95988797       2.00874988       0.56852898 
O       3.49961723       5.65429858       4.27069521       0.82032446       0.86093308      -0.09901128 
O       5.19832323       3.42724737       3.41968029      -0.58402370       1.51414689       1.59148127 
O       5.50040502       3.19207081       0.80476644       1.09592233       1.36878343      -1.02521118 
O       9.04630620       7.72698797       6.27550041       1.38975724      -3.23142793      -0.89977602 
O       3.22822155       5.04842839       9.60441223       0.18334710       1.71220760       0.00832526 
O       5.55857316       3.92417220       6.08747500       0.58754415       1.44849883       0.37463546 
O       0.26909448       5.11055921       9.57410693      -1.28827639       2.05559025       0.43235700 
O       9.04011979      10.86129820       6.20482554      -0.47043572       0.16598153       4.50580432 
O       1.97584196       3.46994981       6.49110575      -0.60769804       1.00298556      -0.99688286 
O       6.90990483       1.58464111       1.37365157       4.98478917      -3.04453791      -1.67011698 
O       8.96223512      10.87820550       1.11045021      -0.20622308      -0.54365313      -0.85404347 
O       7.83965706       9.42335837       4.09989005      -1.12790528      -3.04960707      -0.46592407 
O       7.32423511       1.89475398       4.09513570      -0.32455761       2.41757064      -1.87833577 
O       3.50723132       9.42310342       7.06362801       3.13171996       0.11116302      -3.60832791 
O       9.12232233       6.99603422       9.13774067       0.08583182      -0.74929167      -0.07614109 
O       7.37876871       1.65764379       9.32743750      -1.84927408      -0.06551225       0.14731803 
O       7.11386249       8.46412989       9.16473514      -1.44031603       1.70204772       0.53570535 
O       4.74407367       7.20470362       8.59173426       0.54034973      -0.52422383       0.15587800 
O       8.96277371       6.97613724       3.95054962       0.32332192      -0.37541786      -1.46143573 
O       5.28002092       7.31039242       6.13317906      -0.85412855       1.10287926       0.23601717 
O       7.17163063       8.58385399       1.53991762       2.19149994      -0.28146301      -0.29984778 
O       9.72973590       6.89106018       1.48457199      -2.21132605      -1.22610449      -0.60760654 
O       6.76599645       5.79186354       9.10491757       1.01361191      -1.02857929       0.48790476 
O       3.12171291       9.05254575       9.43413299       2.52814055       1.54076249       1.98585482 
O       8.87829583      10.46366420       8.94063681      -0.48208689       2.50831170       1.43721629 
O       7.31179720       6.03562983       6.44219449       0.26386105      -3.70603246       4.14747307 
O       5.72231716       0.06064464       5.99387411      -2.54790919       0.06406185       1.52739235 
O      10.83140125       5.46384419       6.96909942       0.28681274       0.77255237      -0.57782429 
O      10.70642670       8.95167255       4.38659829      -1.45217395      -1.16257979      -0.93159192 
O       1.68012057       7.57226471       3.70020755       1.80022629      -1.70973713      -0.48013308 
O       3.45677160       9.55287111       3.93586641       0.35945776      -3.30631363       0.72308122 
O       3.74592378       4.93458886       1.75833868       0.23333217       1.46956562       0.16248722 
O       5.21956593       7.35719865       0.66554972       0.06062343      -0.97551545       0.97097781 
O       9.25109006       0.32976464       3.99136562       1.20274583       1.94814994      -3.81155623 
O       8.66242363       3.85320219       8.91921778      -0.22162885      -0.56089433      -0.39534137 
O       6.94186742       5.44352125       1.38699979       0.57966763       0.23042967      -0.39666763 
O       8.91228540       3.83222956       1.05496407      -1.16100564       0.02161913      -1.82008127 
O       9.34075035       3.43500280       3.40949771      -0.34226075      -1.04173584       2.60083647 
O       7.08878497       5.43841247       4.23905278      -0.29617429      -1.61174570      -3.12804976 
O       3.30048613       9.32919987       1.54981895       1.69233349      -0.44101381      -1.64584627 
O       9.33376820       3.76541308       6.00984057      -1.74640639       1.14382592       1.22195400 
O       7.52063379       1.92935993       6.52917107      -1.10777993       0.09254157       2.96130757 
O       1.44432740       3.15252819       8.84547623      -0.79085046       1.20250629       0.27961683 
O       7.25461587       8.99314177       6.70072578      -3.69845637       0.61201971       0.46375145 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005301888493266423 0.0005773027817233769 -0.016692041110078343 0.0005773027817233769 -0.014028553105947307 -0.0013983197426020015 -0.016692041110078343 -0.0013983197426020015 -0.008001348642572828" pbc="T T T" energy=-1065.51558829 free_energy=-1065.5155997 config_type=crystal 
Hf       1.69981935       1.67663809       2.63808113       0.33503905       4.86034776      -1.14064535 
Hf       3.51605112       7.19561978      10.16037791       1.01376862      -0.87379045      -0.77805604 
Hf       5.39962286       5.75293468       2.56011178      -1.07539643      -1.99570360       0.95802754 
Hf       8.90354591       5.31531775       7.71683639       2.80437099       0.19862310       3.18983641 
Hf      10.84127961       7.11766203       5.40710484       2.00732849       1.05842090      -1.68382110 
Hf      10.89045420      10.68741213       0.02955393      -2.38792667       0.95474256      -1.02548242 
Hf       7.49581243       3.73586968       5.23541078      -2.51200745       0.18467053       0.73800880 
Hf       7.30516762       7.64037750       5.13541262      -0.64648279      -0.71508854      -0.29176389 
Hf       1.84808821       5.64686362       2.63027902       3.21000015      -1.69205407       3.11935517 
Hf       0.23574014       3.57610140       5.27525986      -1.78761867       3.46878150      -2.24481605 
Hf      10.86948978       3.42983376       0.18469705       1.17847730      -0.01513396      -0.81572101 
Hf       1.73240512       5.05235491       7.94111850      -0.20783458       0.72655041       0.81136183 
Hf       8.78693276       8.83939141       7.96666902       1.08102282       0.93034973      -0.43969083 
Hf       1.67437009       1.62073839       7.83058466       2.64217596       0.89085318      -0.44028900 
Hf       7.26511051       7.15556705      10.52199977       1.71560856       1.29951643       0.77060526 
Hf       9.14235515       8.60826790       2.53210182      -0.57922914       0.92537267      -1.92630074 
Hf       5.08584861       9.15218630       2.46845611       1.83556260       4.10753932      -1.57455107 
Hf       5.32552622       8.89196914       7.74014685       0.08307975       2.41003270       1.11645911 
Hf      10.93362138      10.93311544       5.27095766      -0.61968450      -1.23654746       1.56812139 
Hf       3.66582556       3.47172665       5.01590779       0.73398449       3.37798460       0.39391736 
Hf       0.31878399       6.94801966       0.11473644      -4.85598933       1.05562033      -2.62212641 
Hf       1.67514501       9.18469473       7.91858194      -1.41132585      -1.42304290      -0.22018103 
Hf       7.01854518       3.83649177      10.32323046       3.34743157      -0.93670449      -3.34289419 
Hf       8.70129519       5.02912589       2.68436341       2.38085343       1.63414483      -1.44490715 
Hf       3.31194698       7.35361636       5.20931340       2.77223640       0.85434054       1.17639798 
Hf       3.45855162      10.84323263       0.05006397       0.54674953       3.02245753      -2.16615098 
Hf       7.33024754       0.21966035       5.05028453      -1.03676317      -1.25969007       0.72310920 
Hf       5.25628168       1.77084940       2.54686996       2.56765039       1.33573984       0.66044347 
Hf       5.61978576       1.65821372       7.75350325      -0.97596408      -0.42324730       3.17576133 
Hf       1.63482518       9.16130695       2.63497268       1.46847519       1.03700316       0.00405475 
Hf       3.67510474      10.91475647       5.22654758       2.05378174      -1.60461357       1.81317085 
Hf       3.74388049       3.49077388       0.01234250      -1.60853995      -1.23199203       0.13622097 
Hf       7.09369425       0.13411853      10.49503899       1.61989044      -3.17165771      -0.41468731 
Hf       8.85350755       1.41116063       2.51074486       1.72476227       3.08536920      -2.03629203 
Hf       5.39823309       5.71051163       7.35195568      -0.12175450      -0.80017903       1.35284855 
Hf       8.98879641       1.41924955       8.00859043       0.17077760       1.96020159       3.09873833 
O       0.02612228       9.12325666       1.42101195       0.73845377      -1.51630153       2.50073978 
O       5.20744793       7.59008848       3.51254916       1.13421547      -3.71015946       0.56143418 
O       0.19216901       5.55482742       4.15191433       0.01762576       0.38183915       1.13933141 
O       0.64971227       1.79686025       4.71562356      -0.46970905      -0.16934447      -0.69412934 
O       1.40979222       0.03326746       3.51092441      -0.41804463      -5.26236644       2.41151742 
O       1.48245855       0.38507700       1.09530857       0.79484378      -2.42241940      -1.93161762 
O       2.03428302       2.84780919       0.81303166      -2.38282749       2.10475005       0.08079421 
O      10.23273867       1.71078280       9.91728003       0.38241270      -0.57453312       0.15307903 
O       1.56355344       0.04710565       8.99006964       0.69998507       0.01704289       0.49948109 
O       2.04246354      10.94982279       6.30790281      -2.33989843      -0.19042833       0.67633847 
O      10.81951760       1.50536897       7.06432123      -0.16751276       0.39498973      -0.48784006 
O       1.82628862       3.85555488       3.62704527       0.13114190      -3.70056613       0.57134049 
O       2.00753022       7.12975954       0.96799695       2.20626586       0.58575634       1.12760971 
O       1.59288911       6.86980236       8.69456739       1.36098249       3.84321460       1.01134055 
O      10.69763331       1.91067469       2.10362631       0.86474228       1.13895193      -1.15825378 
O       3.29268808       5.89274289       6.54851032      -0.92732607      -1.41057855       5.11521208 
O       3.94946500       1.87511074       6.70678357      -2.50156978       1.11245196      -0.00697342 
O       5.73301963       3.44708069       8.68297795      -1.59533428       2.25308111       0.65832111 
O       0.31387812       5.20209231       1.65803812      -2.17585377      -0.70432591      -2.01956487 
O       1.68324347       8.07392264       6.15564654      -2.48989398      -1.64742647      -1.12837390 
O      10.76720489       9.39578420       7.12649844      -0.06547216       0.47900583      -0.34764955 
O       3.71846717       1.61229285       4.21370793      -0.44144066       1.54810695      -2.37486118 
O       5.62049056      10.88440616       3.40750881       0.16596992       0.43354887       1.18448024 
O       5.36274704      10.50943344       0.74533705      -0.12225274      -0.10538811       0.91201806 
O       3.63531496       1.33505445       1.64098357       0.21540974       0.04855168       0.59876394 
O       3.74220203       1.74267593       9.59910145      -0.34528513      -0.54430516      -0.63365608 
O       5.68821814      10.76653307       9.03751909      -0.93991270       0.08668072      -3.38683665 
O       0.28988721       9.02428278       9.63861997       1.00808812      -1.96264545      -0.28802673 
O       3.40135155       5.54364441       4.36645007       1.03813498      -1.05832798      -2.24647317 
O       5.25425219       3.79950399       3.48436349      -1.46912840      -2.37448350      -0.08868950 
O       5.60651246       3.07606945       0.71427135      -1.41990005      -0.61709956       2.29530215 
O       9.10497920       7.47540556       6.16794546      -2.47662508       0.33309465       1.64098704 
O       3.16476331       5.18770698       9.72692081       0.49880747      -0.39737752      -1.32713457 
O       5.22861241       4.28261418       6.17871221      -0.17537945      -4.01514679      -3.41533721 
O       0.13982825       5.30053822       9.78324909      -0.51666226      -2.50313741      -0.92943058 
O       8.85935981       0.09080815       6.54391551      -1.22067994      -1.05024412      -2.49854578 
O       1.88000665       3.53212281       6.33692264       0.74570346       0.12509529       1.09441912 
O       7.23956145       1.11257446       1.55391771      -3.47920603       2.15427809       0.36170494 
O       9.05327970      10.58335116       1.10706520       0.95061515       1.31156375       0.70630019 
O       7.43914208       9.21911344       3.90674975       1.00596950       0.28779912       1.81189113 
O       7.07383650       2.15322409       4.05965992       0.11038376      -3.40146767       0.38289054 
O       3.76654757       9.00373042       6.54659986      -0.69261343       2.01372450       1.20485737 
O       9.17512806       7.14291452       9.01710896      -0.53677749      -0.00814430      -0.66020389 
O       7.16739866       1.73459227       9.38065616       1.76931412       0.21786189       0.95375358 
O       6.99351653       8.51783171       9.02057040       1.07545778      -0.15580970       1.47832336 
O       4.91619998       7.14866664       8.62015078      -1.77499335       0.50686532       1.04695125 
O       8.98911829       6.89479694       3.59145130      -0.82323315       0.48986028       1.37821347 
O       5.39987342       7.36741369       6.06936839       1.43027550      -1.54974962      -0.33437083 
O       7.40615422       8.75136455       1.47149311      -1.67129548      -1.70024652      -1.09606807 
O       9.44130638       7.04239256       1.16723596      -0.78946475      -0.14688892      -0.88997501 
O       6.84126746       5.56966239       9.30305638       0.86461951       0.61813772       0.37707689 
O       3.59936285       9.13097406       9.50293951      -1.44933920      -0.46467858      -1.18497864 
O       9.00353069      10.59277255       9.12381275      -1.13127716      -0.62361375      -0.53084281 
O       7.31442500       5.57441718       6.73025325      -1.30880805       0.96163395      -1.91203266 
O       5.49243256       0.12448470       6.25515821       1.64223249      -0.42823299      -1.73679751 
O      10.95288127       5.54489547       6.70352419       0.94306297      -0.55880143       2.21256739 
O      10.45742969       8.99944630       4.34072470       1.51789156       0.40556319      -1.02626317 
O       2.19960128       7.44953439       3.58647449      -3.46009718       0.77706818      -2.41658534 
O       3.54729818       9.37567073       3.91832696      -0.27242316       0.84942363       0.62895740 
O       3.75006416       4.90319488       1.84965103      -0.92580565       0.81271143      -1.99346316 
O       5.30710174       6.97740354       0.56590975      -1.34407684       0.90376655       1.29594196 
O       9.25506183       0.38611343       3.99050425      -0.10700409      -1.89389736       2.86874308 
O       8.81758940       3.66197946       8.78895365      -0.09060512       0.44739155       0.24162935 
O       7.09879186       5.40953541       1.40129781      -0.19387676      -0.00972342      -0.78088084 
O       8.97355551       3.76084684       0.99859285      -0.79764070      -0.40876925       0.20593406 
O       9.16220545       3.43291064       3.90321614      -0.28891621       0.60017448      -1.42426581 
O       7.03936125       5.31979624       3.88660864       0.98648589       0.43211478       1.32873746 
O       3.35534150       9.49932420       1.47071783      -2.06825095      -2.71786232       1.51990236 
O       9.13162770       4.03943721       6.19866220       2.41726808      -1.05833197      -0.35857139 
O       7.36632017       2.24066415       6.90825786      -0.03504233      -0.68121952      -2.39499647 
O       1.20741770       3.18677895       8.90438842       0.61587162       1.26260364      -0.44246296 
O       6.97190078       9.09975450       6.58282073       3.08025076      -0.21437366      -0.51681460 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.030980825700237306 0.0026132225533970297 0.00021565274109884203 0.0026132225533970297 -0.009138144134626984 -0.0016777980936070341 0.00021565274109884203 -0.0016777980936070341 -0.01976867605531846" pbc="T T T" energy=-1058.49573635 free_energy=-1058.49573907 config_type=crystal 
Hf       2.06966301       1.71514778       2.40405085      -4.10013453      -1.06090869       1.87498145 
Hf       3.53148889       6.92262595      10.55811892       2.46931829       1.26674911      -0.28957605 
Hf       5.48200332       5.22719174       2.59489944       1.40167628       2.77907188       0.53620432 
Hf       8.91418090       5.34494902       8.18110367       0.65919791       4.44233112      -1.38685859 
Hf      10.70227120       7.10224957       5.39632714      -0.38863434      -1.97498367      -2.61543002 
Hf       0.05254322       0.21301630      10.38939651       0.19669448       0.03405060       0.58915996 
Hf       7.17957965       3.52198040       5.25371222      -0.22197063       1.40255027      -3.47425945 
Hf       7.07100558       7.28410526       5.25476279      -1.27480790       0.19680305       0.00268266 
Hf       1.81165436       5.35857423       2.65165128      -0.92385109       0.17884413       1.38933967 
Hf      10.81096228       3.30858754       5.29185810       0.78457877       4.45829960      -2.28044148 
Hf       0.10377063       3.68387097       0.01206753       1.32557974       0.08905578       0.02183871 
Hf       1.63374590       5.31282855       7.74702392       2.43978055      -0.60743267      -0.03933107 
Hf       9.01653798       9.05831617       7.58983834      -0.98960522       0.87519237       3.56928689 
Hf       1.64099527       1.94105721       7.81864436       0.02957104      -1.04677524       2.21907028 
Hf       7.24651599       7.43634764       0.15816430       1.00340750      -0.40612194      -1.44946168 
Hf       9.03658922       8.87334252       2.44079201       1.87395246       0.82668399       2.22497941 
Hf       5.07085116       9.21467253       2.52811275       3.30914118      -2.07482797       2.64964071 
Hf       5.42800821       9.14391529       7.76585181       0.05846103      -3.01606706       3.99251065 
Hf       0.03862538      10.52231441       5.44439286      -0.27778235       1.14543028      -4.33471972 
Hf       3.60599868       3.12810168       5.01401753       3.24252729       0.76118447       2.23491017 
Hf      10.81133895       7.53632059      10.26005976      -1.17777762       0.41880539       1.44155450 
Hf       1.68610725       9.00175692       8.01073441       0.24982253       2.89519573       1.06058575 
Hf       7.28472460       3.77640293      10.44855753      -0.31878343       0.09764139       1.81398357 
Hf       9.25097754       5.41615656       2.43378452       0.20822629       2.44246600      -0.61829179 
Hf       3.42957673       6.96667751       5.15845586       0.85539927       0.43178189       0.78024275 
Hf       3.46947322      10.74012265       0.06918767       1.01551489       0.22077354      -2.17355705 
Hf       7.03422870      10.92273276       4.97137866       2.54900932      -1.15288023       0.13535000 
Hf       5.53787049       1.69861167       2.50131045       0.23966306      -0.55800547       2.75023788 
Hf       5.52411117       1.80499749       7.86196529      -0.11009458       1.62115985      -0.12561531 
Hf       1.59553674       8.86389855       2.51204234      -0.87834373       0.19727271       0.57086272 
Hf       3.59088181      10.88046473       5.68286043      -1.56724019      -3.96112426      -2.48761158 
Hf       3.62062811       3.43177461      10.61461248       1.16733531      -1.07844189      -1.51073100 
Hf       7.26185559       0.15034930      10.48659468       0.40631331      -0.74744214       0.12036427 
Hf       9.13659098       1.78475793       2.42706072       0.49380573       0.42382990      -0.30566365 
Hf       5.38851775       5.49264017       7.97341525      -4.42923368       1.36319329       1.20704394 
Hf       8.88340878       1.89758271       7.80223010       1.06775417      -1.63584943      -0.07157860 
O      10.78007545       9.06536241       1.07941736      -1.25013081       2.44358481       1.52321667 
O       5.63894222       7.57065538       3.58719014      -1.00369079      -1.74922029      -1.29828898 
O       0.15516840       5.51767726       4.31025762      -1.39940367      -3.83926966      -1.15484349 
O      10.71434110       2.32339038       3.66127746      -1.27105039      -0.12103608       1.04286367 
O       1.26832474       0.29539140       3.74898223       0.36063311      -0.79194693       0.15980047 
O       1.71249533      10.91755222       1.14649602       0.27982474       0.65278559      -1.34475608 
O       2.07609111       3.81231593       1.02748768      -0.93574420      -1.55069988       1.60246091 
O      10.71867858       1.97991332       8.88936326       0.12572770       0.07154087       2.19560225 
O       1.30148154       0.01860997       8.77537744       3.71790056       2.03079746       0.01764180 
O       1.68049811       0.07350731       6.49412088      -0.27777796      -1.57823379      -1.17074898 
O       0.05212569       1.92711460       6.54298377      -0.72768677      -2.62402696       0.31203816 
O       2.19381783       3.25896398       3.75301008      -2.23294242      -0.12572670      -3.01277977 
O       1.32841708       7.36011952       1.26879266       1.64081669      -1.21572502      -2.10031677 
O       1.33573810       7.15319880       8.59334338      -0.13315123      -0.26745352       2.31605748 
O       0.11631459       2.05070004       1.34440046       3.20016997       0.31237763      -0.01283818 
O       3.62116890       5.51501342       6.86519712      -0.50387295       0.60169760       1.36933974 
O       3.82011836       1.51863515       6.71985394      -0.92138397       1.92342923       1.19022697 
O       5.29914396       3.59122232       8.73414266       0.81288453      -1.34406156       1.66827757 
O       0.15466662       5.21654985       1.49282317      -1.53231142      -1.16696293       0.46044083 
O       1.62139027       6.88853449       6.09569494       0.72557995       1.11077165       1.83034515 
O      10.62694158       8.80553989       6.50983298       3.70768385       0.60038150       1.56005014 
O       3.86617070       1.06855029       4.01798415       0.33396437       1.78943768      -0.17372876 
O       6.22268524      10.68649949       3.14012898      -2.73826570       2.48382454       0.21034009 
O       5.48987543      10.57952522       0.82658013      -1.85945304       1.20837986      -0.83099088 
O       3.86334909       1.71935718       1.38535165      -0.99632818      -0.49418866       0.20320429 
O       3.16143093       1.72483102       9.65515359       0.43437671      -1.04043401      -0.83170123 
O       5.21748692       0.02538757       8.71413070       0.29374230      -0.47001606       1.48156136 
O      10.88181309       9.50868665       9.29378917      -0.81803977      -6.06009228      -0.42478080 
O       3.48375601       5.19214569       4.35066685       0.67378833       0.54232042      -1.81916733 
O       5.15648369       3.48799083       3.69940591       1.09860706      -0.70288537      -2.63460301 
O       5.41991173       3.89118106       1.07491428      -0.73749180      -1.26810412      -0.79376864 
O       8.91811991       6.71771500       6.44224870       0.80170620       1.29783272      -0.64693963 
O       3.71439537       5.13573993       9.70630948      -0.95179444       3.12231688      -1.67692182 
O       5.57447426       3.18110747       6.12642678      -4.57574572       1.03572621       1.02445068 
O      10.58049044       5.29615932       9.34732680      -0.26167362       1.14450888       2.03997523 
O       8.99876275      10.46824107       5.96370561      -0.02146644       1.71272130      -1.22590074 
O       2.16448171       3.58371713       6.31882071      -2.75616856      -0.92355682       1.87619594 
O       7.05603519       1.76454082       1.37341125       2.00725517       0.42420233      -1.93047155 
O       9.39264026       0.98053790       0.53257327      -4.43941698      -3.02583234      -1.01389620 
O       7.45838125       9.15224996       4.25598882       1.02022989      -2.03545046       1.80272420 
O       7.17945124       1.77370431       3.98116540       0.26231123       0.99881093       0.81216754 
O       3.51861910       9.45975508       7.31987109      -2.81979732      -1.11617255      -0.37098453 
O       9.04033891       7.60146387       9.22427338       0.20327166      -1.09654536      -1.55554863 
O       7.30644991       1.84897225       9.26802266      -1.80446535      -2.03478312       0.89467731 
O       7.13916263       9.23172566       9.87824907      -0.28752419       1.24563233      -2.35716327 
O       5.50135710       7.30416481       8.82771559      -1.82721292       0.86410472       1.22966617 
O       8.98353775       7.24293622       3.59524564       0.22767090      -2.21240720       1.12974545 
O       5.19332872       7.35322184       6.21422859      -0.07946329       1.05085368      -0.58571800 
O       7.45234022       9.06930044       1.48692695      -1.54896756      -0.43559221       0.31304696 
O       9.21377217       7.05448075       1.06346514      -0.07353354       0.88548313      -0.88933954 
O       7.18108106       5.64563732       9.71081224       1.14678015      -1.78207781      -2.67739759 
O       2.96290427       8.77808371       9.93634697      -0.67625019       1.84122028      -2.76764923 
O       9.07961266      10.90286209       8.36659365      -1.30087330       0.75401726       1.24175882 
O       6.82110470       5.52990000       6.90166713       5.18838748      -1.34012216      -1.45949080 
O       5.42895185      10.17408639       6.14238622       1.82190500       3.37426783      -3.51107287 
O      10.85589426       5.16582499       7.03613057      -2.14066508      -1.06318458      -2.38006788 
O       0.19847944       8.78806518       4.05787074      -1.32253084       1.91336980       0.93980286 
O       1.71221551       7.06035613       3.69691097       3.30754876       1.82937066      -1.40483111 
O       3.65009000       9.16082368       4.29539307      -0.85945834      -0.06807124      -0.82749626 
O       3.34036114       5.87556147       1.49010385       1.39819986      -1.21824158       3.30878195 
O       5.45836860       6.90926226       0.83072129      -1.95159498       1.22998715       0.69693135 
O       9.01633355      10.88436408       3.09579616       0.87039503       0.37041395      -0.07922596 
O       8.54693709       3.58412097       8.81863800       0.26888013       1.02360885      -1.77567135 
O       7.36325699       5.40269569       1.39965648      -0.05459962      -0.64690836       2.71303209 
O       9.17958967       3.53579263       0.48481271      -2.27411078       0.75432562       1.97828422 
O       8.58543286       3.93336100       3.37687412      -0.34009168      -2.50715188       0.86462119 
O       6.72598843       5.45090209       4.50547707      -0.23768814      -0.93446479      -2.10698521 
O       3.46471657       9.28015063       1.47631209      -1.27743811      -1.05230964       1.86333111 
O       8.93941530       3.28446385       6.07331101       1.34446874       0.31547767       1.36440892 
O       7.07095726       1.69864618       6.65442076       2.70921816      -2.76971706       0.10807014 
O       1.56555532       3.59075538       9.16675231       1.39257488       0.98963044      -2.24764532 
O       7.19286193       8.63361768       7.20829508       1.44149004      -0.46752419      -2.23530189 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.026234574899122134 -0.0044260377151547564 -0.00322515749070154 -0.0044260377151547564 -0.010680593286560085 0.00769473338329217 -0.00322515749070154 0.00769473338329217 -0.01491113811663978" pbc="T T T" energy=-1061.66400788 free_energy=-1061.66401119 config_type=crystal 
Hf       1.71370805       1.70780024       3.05389792       0.32423452      -2.91443336      -4.26853241 
Hf       3.38802095       7.56580122      10.18592482       1.67644741      -2.84198207      -1.57407516 
Hf       5.47345567       5.28852420       2.70231505       0.22671350       3.39537382      -2.43206092 
Hf       9.01063905       5.60080602       7.82524135       1.24574724      -1.06259718      -0.90828659 
Hf       0.02250176       7.27394981       4.93824371      -2.84641488      -3.60621198       1.06332169 
Hf      10.77080865      10.90344122       0.02128319       4.20781184       0.55619092      -1.00930457 
Hf       7.09271588       3.33014730       5.37713234       2.17746316       1.21249929      -2.79578830 
Hf       7.26830889       6.97297008       5.08576094      -0.91236788      -0.16037588       1.99072611 
Hf       1.94540477       5.28764103       2.22156559       0.48808528       0.22775941      -0.36416270 
Hf      10.77034707       3.49285628       5.25867065      -5.68416620       0.58237615       0.30105710 
Hf      10.86618567       3.54169496       0.07479627       0.15288454       1.48067876       1.87604062 
Hf       1.54156880       5.47111503       7.94021833       2.15963580      -1.09067875       1.20597651 
Hf       9.31721412       9.35119043       8.14696970      -3.20078050      -0.16978412       0.66678075 
Hf       1.61318500       1.67129124       8.08444759       0.44460236       0.00337680      -1.75779043 
Hf       7.21657214       7.26291832      10.52751601       3.48752383       1.39184010      -4.16238809 
Hf       8.97493192       8.90897515       2.68269508      -1.21807928       0.85831406       1.19799452 
Hf       5.50814116       8.88769006       2.37760824      -0.80191176      -0.28206374       0.44053346 
Hf       5.44953149       8.99858198       7.90616014       0.37964341      -0.73067336       1.98870212 
Hf      10.75958982      10.94381835       5.39178059       0.28062389      -1.41733381      -0.67367227 
Hf       3.35779170       3.81511103       5.05058809      -1.15500230      -1.11547066       0.95184106 
Hf      10.88021822       7.15506702      10.60642060      -2.14623177      -0.97093060      -1.16389416 
Hf       1.73545527       9.18199889       7.48100758       1.47961600       1.06506564       1.89500356 
Hf       7.43648470       3.69382690      10.39568420      -0.76325420      -1.73335915       1.65598608 
Hf       8.98509613       5.11125382       2.70971219       0.00232853      -0.08403439      -0.92593402 
Hf       3.47495188       7.28514476       5.28097486       3.31593527      -0.15501559      -2.04841543 
Hf       3.72512820      10.95103375       0.00751109      -0.62806587       0.84450227      -0.94254364 
Hf       7.20543077      10.56500786       5.48125339       1.47858906       3.21065711       0.88622469 
Hf       5.44550757       1.61657982       2.54588986      -1.11328925       1.39286310      -1.88143803 
Hf       5.09234212       1.61261978       7.71127955      -0.93708137       0.05443092       4.70556504 
Hf       1.81398799       8.88409736       2.39311637       0.74893959       3.38633430      -0.69737810 
Hf       3.88721115      10.91075479       5.06438507      -3.49764963      -1.69271989       2.56446448 
Hf       3.62360103       3.77952211      10.29901727       1.27662504      -2.72475268      -0.19215459 
Hf       7.50310353       0.04118240       0.14251374      -5.67562697       0.37540694      -2.83201937 
Hf       8.97599936       1.56233875       2.56374913       1.97803402       1.35569138       3.93075601 
Hf       5.24527791       5.37084079       7.43865995      -1.25167243       0.19240711       3.95703142 
Hf       8.86217364       2.01430596       7.95805879       1.91266064      -0.30501876      -1.96456086 
O      10.66287660       8.99167016       1.84765852       2.90434588      -1.10874550      -1.46618516 
O       5.39639292       7.19381774       3.57800424       1.02329221      -1.03139875       0.78451917 
O      10.50417083       5.39772977       4.06738349       0.82846138      -0.63497845       1.44882715 
O      10.90160543       1.63007126       4.03005040      -0.27340899       1.48777161       3.49894784 
O       1.52153619      10.72449884       3.53710778       0.73091206      -1.97435553       1.00337425 
O       1.79086469      10.49438855       0.74829829      -3.71749722       0.98494308      -0.46551976 
O       1.91354439       3.72285833       0.78601200      -0.50163356       0.40592361      -0.86703702 
O       0.42085590       1.94135598       9.77928160      -0.17480987      -1.87459487      -0.04580829 
O       1.40395169      10.81051582       8.75659281      -0.17827187      -2.95384789       1.88299439 
O       1.64644774      10.85618810       6.41132479      -1.53401481       0.98554734      -3.60203024 
O      10.82218550       2.08164690       7.09885921      -0.42551858      -0.20824682      -1.28010351 
O       2.06198428       3.57124679       3.25105067      -0.53611230       1.51203685       1.33759394 
O       1.84333725       7.14277132       0.67684271      -1.94763319      -0.92689012       2.79538070 
O       1.44604924       7.52315006       8.82876457       1.53849436      -0.04887655      -0.23314911 
O      10.83968453       1.95982352       1.68444427       1.41648524      -1.27325419      -0.63205330 
O       3.22222304       5.45481634       6.63136454       0.24173002       1.63409275      -0.66183388 
O       3.46925575       1.25198967       6.67298346       1.54743351       1.26963633       0.73341259 
O       5.29090110       3.59898826       8.65545373       0.53730430      -0.75810498      -1.14131516 
O      10.94329509       5.29183850       1.58477529      -0.01964589       0.72558598      -0.01996995 
O       1.69420100       7.61190505       5.84491548      -1.46178792       0.55861847       3.53107314 
O      10.77222636       9.30912673       6.92769330       0.73147931      -1.15061460      -1.14400958 
O       3.60454120       1.85315174       4.34049415      -0.63500112      -0.94710071      -1.37745807 
O       5.34379634      10.83592651       3.82385428       1.38171711      -0.43040057      -0.87965173 
O       5.41600328      10.54516632       1.10779498       1.83439988      -0.19031023      -0.09496666 
O       3.62747200       0.97581630       1.70151519      -1.86520360       1.72950795       3.09464096 
O       3.20493480       1.96253064       9.33064820       1.58804772      -2.25698916       1.72229347 
O       5.29405479       0.14287139       9.13399958      -0.31531375       0.32573941      -1.29283079 
O      10.41947033       9.04987709       9.78623998       0.93071749       0.84632467       1.98970614 
O       3.34798334       5.44256939       4.07383922       0.16833096       2.84826275      -1.85875068 
O       5.33123277       3.60626316       3.36390769      -1.67318515      -6.17094624       1.38159319 
O       5.11442547       2.51978709       0.58398766       1.09387632       1.59950972       0.40204573 
O       9.06985404       6.95834656       6.06741382      -0.62693440      -1.06640147       1.22370911 
O       3.59118671       5.37179549       9.19124004      -0.92633531       3.13018723       0.17689510 
O       5.14501462       4.23748269       5.83162306       1.41307923      -2.15952472       0.23923604 
O       0.23865729       5.38652463       9.60131005       0.37022631      -0.36423655       0.45973708 
O       9.17072144       0.32491146       6.51703827      -2.49451562      -0.64525797      -1.30744342 
O       1.47956956       3.53266940       5.89720803       4.73604863       0.06072869      -1.69291565 
O       7.31818137       1.41431607       1.66676219      -3.17831408       1.29021470      -0.74542403 
O       9.02576403      10.88583000       1.18079995       5.04567939       0.09875217       0.13983454 
O       7.02913098       8.97792805       4.54529819      -0.33489098      -1.73619789      -2.63135630 
O       7.37124336       1.56391356       4.21596936      -1.00244724      -0.20132061      -0.04876510 
O       3.57732880       9.09908016       6.46875891      -0.98249852      -1.08425403       0.38841644 
O       9.33599106       7.11623337       8.99286825      -0.87117855       1.50517365      -0.78867206 
O       7.47690149       1.78529839       9.35980004      -0.75719396       0.58421146       1.41232138 
O       7.34163466       9.53244956       9.56815405      -0.21204929      -3.82728672      -2.19012782 
O       5.28130912       7.18761193       8.99061246       1.35959423       0.59507029       0.15672881 
O       8.46813091       7.13035127       3.59887524       1.17721931      -1.04702588      -3.12556590 
O       5.31112566       7.25624141       6.36325078       0.85271119      -0.40390839      -0.25311790 
O       7.43836760       9.07341913       1.27415084      -0.34980302      -0.07598675       2.76733442 
O       8.87582109       6.82886614       0.88371366       1.24818017      -0.16825253       1.01538802 
O       7.32724856       5.38492023       9.52138486       0.35463004       1.23413431       0.04537086 
O       3.72575093       9.15008220       9.20284914      -0.50859391       1.54724573      -1.58246147 
O       9.44428520       0.29780095       8.91903720       0.45535163      -1.03111749       2.23694870 
O       7.27895966       5.13179522       7.01792001      -2.79198162       1.38592539      -1.25691424 
O       5.37695117      10.39839942       6.59018270       1.70375303       3.66387019      -3.49548897 
O      10.87152530       5.30777104       6.93324196      -1.12437442       0.09101827      -1.42592590 
O      10.03555708       8.83143089       4.56420782       1.23318274       2.15057332      -0.41171209 
O       1.46451317       7.30594286       3.51295763      -0.60925129      -1.81072254      -1.77253101 
O       3.54821038       8.67756384       3.70347225      -0.18402583       2.07766236      -0.04050687 
O       3.87311144       5.21636721       1.33960104      -0.34033913       0.59477208       0.34612631 
O       5.91562767       7.24790784       1.12453736      -4.74157619      -0.67298369       2.86102154 
O       9.07117139      10.70090729       3.67450578      -0.42795412       1.24713725       0.14281373 
O       9.41941388       3.59928637       9.17507174      -2.02638427       0.50889290      -0.48753989 
O       6.99093650       4.50630140       1.55599738      -0.65294270       1.93487842       0.23163904 
O       9.10098070       3.55747642       1.24254264      -0.29902280      -0.26353190      -1.99330849 
O       8.84199170       3.43033499       3.81995408       0.91296050      -0.27585946      -0.31627034 
O       6.96773114       5.05682989       4.22322461       1.43910336       2.79968330       0.22773817 
O       3.33871358       8.98740247       1.03829333       3.79404749      -1.57231907       1.15205964 
O       8.86480056       3.54944096       6.46277553       0.16110546      -1.27706687      -0.56490638 
O       6.63521830       1.74614427       6.47705038       0.32573645      -0.50865114       2.04803748 
O       2.11829428       3.59985587       8.06888705      -0.83295207       1.92070818       2.02851881 
O       7.56555953       9.09283184       7.07261834      -1.07374055       0.33080206      -0.35729798 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.020085273690944126 0.001095202250001525 0.009908408838267328 0.001095202250001525 0.004120485840508403 -0.0012468795600091183 0.009908408838267328 -0.0012468795600091183 -0.004112561695420291" pbc="T T T" energy=-1061.19372755 free_energy=-1061.19375085 config_type=crystal 
Hf       1.76398250       1.89457496       2.37727661      -1.02118946      -1.39420109       3.95150220 
Hf       3.61469774       7.07082447       0.47098268      -0.93560521      -0.43426658      -0.74887144 
Hf       5.68785583       5.37327751       2.97645333      -2.31741289      -1.16750924      -2.44881388 
Hf       9.14328236       5.43748055       7.82076091      -2.87228655      -5.11682679      -2.15319515 
Hf       0.07418746       7.32772657       5.31932652      -3.27372888       1.77722360      -0.77994934 
Hf      10.44897922      10.79236118      10.53898683       1.57300936       0.71122334       1.48893717 
Hf       7.37004784       3.76307803       5.37106318      -1.85753398      -0.26094978      -1.02016471 
Hf       7.05525775       7.53462723       5.26877351      -0.58937145      -0.94394862      -0.25666361 
Hf       1.51405774       5.41776216       2.56545179       0.70228763      -2.08866802      -1.13214906 
Hf      10.92390714       3.42761407       5.04444974      -0.32010798      -0.25742008      -0.74450610 
Hf      10.91939403       3.52502825      10.51499473      -1.06994283      -0.71222587      -0.65110432 
Hf       1.72827876       5.22847217       7.76252069       0.29030013      -2.50450656       2.17026075 
Hf       9.03646848       8.97757483       7.82620997      -1.39766844       0.44235271      -0.18990548 
Hf       1.60313560       1.69507934       7.86963305       1.68714499       1.59063426      -0.34928835 
Hf       7.47331603       7.30498060       0.08506357      -3.22479615      -1.59967429      -0.95083969 
Hf       8.75812287       9.04070615       2.59690619       1.59111587       0.78596452      -0.29516192 
Hf       5.42961173       9.23984033       2.63156332      -4.14648588      -0.47847329       0.36725030 
Hf       5.18495844       8.72776489       7.76615591       1.93446150       1.03148091       0.85736704 
Hf      10.70843066       0.07275058       4.92710505       1.78855521      -0.29834938      -1.12709865 
Hf       3.90562293       3.23054642       5.29340101      -0.83688525       0.51713454      -0.13813793 
Hf      10.82213346       7.14240923      10.32150877       0.07881285      -0.96432714       0.94632326 
Hf       1.67915578       8.73161417       8.06508771      -0.44119944       3.45042933      -2.06342253 
Hf       6.96605203       3.46289699      10.42651032       2.60521111       0.90462961      -0.00837081 
Hf       9.14338677       5.62329814       2.72160434      -1.55578866      -2.12094586       1.31871996 
Hf       3.32793890       7.25244472       4.98427334       4.70941770      -0.49672803      -2.37392042 
Hf       3.51089753      10.52397315      10.24152926      -0.92370706       4.09244048       1.77328156 
Hf       7.28740027       0.13189731       5.23918408       2.20037578       0.70379079      -1.50536192 
Hf       5.65960731       1.93979946       2.22987098      -6.12795796      -1.46890633       3.51328074 
Hf       5.56995689       1.41806926       7.83585696      -1.37604344       2.24852267       1.00543261 
Hf       1.47360862       9.06574708       2.21973166      -0.60525290       2.55408970       3.43818694 
Hf       3.59994406      10.89849842       5.46355440      -3.74090240       0.89054695      -2.60581752 
Hf       3.61683975       3.63747976      10.47035070      -1.87236621      -1.08926476       0.72278897 
Hf       7.04994738      10.80185511      10.39356170      -0.17120323      -1.33765011       2.55786359 
Hf       9.28123363       1.81825009       2.24222762      -3.39082206       0.45370323       0.02486356 
Hf       5.28765845       5.57847616       8.23893234       2.21404039      -0.98820618      -0.87525253 
Hf       9.29559026       1.61946169       7.91809810      -2.43328260       2.08009228       1.57012620 
O      10.46965648       9.32614216       1.40224486      -0.68455753      -0.65485182       0.65959546 
O       5.48197560       7.34420582       3.45139329       0.03096394      -1.86846285       1.30667102 
O      10.86418226       5.65879438       4.19859275       0.41261472      -1.79112916      -0.87425077 
O      10.75775195       1.91219823       3.53223821       2.66043899      -0.73780829       4.82954024 
O       1.68680778      10.88271093       3.59706905      -0.51514011       0.04579500      -3.09235734 
O       1.55162553      10.33150658       0.73811634       2.73195546       1.45765813      -2.58828525 
O       1.54103283       3.96859615       0.99673873       0.03131819      -2.19357538       0.00606685 
O      10.80632209       1.63369627       9.25102477       2.06537161       0.80392555       0.76447762 
O       1.91831891      10.85650670       8.46780554       0.25352065      -3.79301130       0.95056739 
O       1.38152454       0.59015392       5.88137008       3.62017262      -0.73731446       2.20310133 
O      10.55186449       1.75356806       6.52715953       1.35601806       1.49503849      -2.07562426 
O       1.79745988       3.62901033       3.67951331      -1.57457402       0.87181437      -0.80187018 
O       1.41680450       7.37194992       1.04741631      -0.20904690      -1.55360134      -2.07394357 
O       1.39438108       7.04685275       8.92399828       0.08442243      -1.09780956       0.15959647 
O       0.01674920       1.47618865       1.23145415       1.20434937       0.67009779      -1.53861270 
O       3.42383217       5.25006656       6.90875774       1.95223660       1.05502051      -0.86625389 
O       3.59405478       2.05007533       7.26425570      -0.01721883      -1.51410990      -1.86951999 
O       5.17452209       3.68736966       8.98867043       0.01446161      -1.94960356       0.69357187 
O      10.71980135       5.27831156       1.48949917      -0.29387949      -0.16813339       0.18460163 
O       1.86369437       7.72304984       6.07233622      -0.42167929      -1.08570482       2.29112360 
O      10.79106772       8.71236568       6.92603816       0.44049307       0.08902282       1.06753096 
O       3.39040870       1.63869078       4.13371164       1.29099651       0.40905972       2.18682343 
O       5.70893495       0.09557280       3.14973557       1.19660430       2.94054034       1.88978365 
O       5.21498610      10.78873694       0.76395799      -0.94579829      -0.00232552       0.44125308 
O       3.35091528       2.23355633       1.51692443       3.38819949      -0.17652231      -0.63655856 
O       2.97474694       1.69190517       9.83639611       1.89798976      -2.42147461      -0.37490321 
O       5.41403931      10.46487320       9.00711345      -1.32321727      -0.02935914      -3.08655493 
O      10.82540218       9.06656177       9.43085012       0.14078412      -1.48371079      -0.46958562 
O       3.97968987       5.13206145       4.38434388      -0.13564584       1.83285231      -0.44494410 
O       5.59330894       3.23049043       3.81966816       0.40870016       1.32685905      -0.59601019 
O       5.41612007       3.62614950       1.14418209      -0.91704659       1.13380053      -2.17965734 
O       8.61274474       7.13921676       6.38633038       2.59869352       0.60136086       0.66100030 
O       3.60884362       5.64607052       9.31734271      -1.45025421       0.64100338       2.98660625 
O       5.73729324       2.81737736       6.24091907      -0.20644384       1.02891074       0.36231738 
O      10.66017463       5.10495335       9.33530604       0.71306961       1.36592430       0.72973276 
O       8.96736713      10.60859718       6.34503055       1.32194950      -0.51999320      -0.69351485 
O       1.71139743       3.60958699       6.28652077      -2.10708802      -0.37982417       0.09809590 
O       7.29888665       2.14375219       1.54012743       1.79143784      -0.91912304       0.25090035 
O       8.68959122       0.23473120       0.86163606       0.67960508      -0.58328509       1.02555103 
O       7.05805986       9.20461996       4.05125334       0.84715736       0.67005717       2.22735923 
O       7.99350998       2.01512853       4.55272063      -1.89869893      -4.17358605       1.30917184 
O       3.49470642       9.29740315       6.90007587      -1.07147482       0.75010822       1.21748989 
O       9.04632614       6.91335301       8.94181642      -0.21502337       5.51653986       3.86991849 
O       6.65061958       1.52863228       9.70143608      -1.13885707       3.92337966      -0.81667094 
O       7.65119743       9.07112921       9.75941749       1.22709508      -3.45107937      -1.23403496 
O       5.69017718       7.43452478       9.20608769       0.32621077      -0.79019444      -3.20971297 
O       9.03857992       7.59714798       3.85995090      -0.30481580      -2.35083114       0.62879400 
O       5.03705551       7.33811910       6.11635665       1.36437174       0.37703349       1.34570452 
O       7.02913164       9.00493317       1.61300878       3.28006130      -1.13709934      -3.10202762 
O       9.31303331       7.11016342       1.37601652      -2.47962053       2.14496245      -3.41055841 
O       7.05245849       5.22333939       9.46603732       0.04900878       2.35261051       1.62242049 
O       3.57024607       8.68315359       9.64367969      -1.89521930      -1.14776313      -1.62983595 
O       9.02090154      10.89428781       9.12567591      -0.35250720      -0.89886969      -2.44521585 
O       6.91966432       5.42256647       6.91946114      -0.09339522      -0.92371535      -1.12570217 
O       5.51822254       0.23310018       6.00530103      -1.63835982      -0.20565218       1.58639760 
O      10.86922706       5.78878962       6.87573556       1.67034822       0.23978308      -0.89251991 
O       0.21133993       9.12645822       4.36501930      -0.70088947      -1.15350067      -0.17420904 
O       1.94762982       7.33991369       3.37284551       0.45857936      -2.10961975       2.70375619 
O       4.01213256       9.38082126       4.35899648      -0.36435388      -1.75318427       0.39456230 
O       3.40156366       5.17014681       1.42846128       0.68496574       3.11481682       0.75175758 
O       5.43976246       7.23775721       0.83679205       2.21181941      -0.88212194       1.29467455 
O       9.23430108      10.74135224       3.44097251      -0.86197716       1.65901487       0.61048274 
O       8.73718705       3.49537496       8.64717554       0.40108050      -0.73927671      -1.00823481 
O       7.34309784       5.17440793       1.71377893       0.76841596       1.52934778      -1.08949215 
O       8.93888591       3.12429140       0.43850747       3.13862563       0.71981196       0.51602490 
O       9.14248312       3.52557156       3.37853330       0.84000839       4.34774777      -0.85733133 
O       7.25485964       5.44263075       4.07914479       1.25810654       0.83690988       3.18405345 
O       3.49146454       8.68569001       1.93834515       0.39534624       0.29227652      -2.14303873 
O       9.11724828       3.80117763       6.12309288       2.31923674       1.37078997       0.20288502 
O       7.44499236       1.29802185       7.50496301      -1.19456087      -0.72750465      -3.04641861 
O       1.91948528       3.52573458       9.16180526      -2.12899027       2.23917169      -2.70851692 
O       7.06612260       9.04770320       6.80753618      -1.15558156      -0.29691199       0.66825370 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00031006844910266216 -0.008301565293942903 -0.008975213932918225 -0.008301565293942903 -0.02945701988613115 0.012274561371504943 -0.008975213932918225 0.012274561371504943 -0.008818397782477491" pbc="T T T" energy=-1060.81758769 free_energy=-1060.81761234 config_type=crystal 
Hf       1.96055495       1.83866539       2.15938456      -3.14838257      -3.89543669       1.93118350 
Hf       3.54875665       7.35305859      10.55488685      -0.97058044       0.00913955       3.51046893 
Hf       5.33212217       5.41550588       2.45074979      -1.05437425      -1.56277736       0.36008985 
Hf       8.94741516       5.26511517       8.17178013      -2.13595934       1.33596824      -4.53412498 
Hf       0.06758647       7.31949040       5.44435077      -1.07002769       0.17359718      -2.81237631 
Hf      10.81466486      10.69597818      10.60942096      -2.13599360       3.78888781       2.81262750 
Hf       6.98717585       3.57223985       4.95788631      -1.16650105      -3.19466085       1.53008978 
Hf       7.32786319       7.05709277       5.39009908       0.26523208       1.62356369       2.42642917 
Hf       1.55577446       5.28175427       2.43403675      -0.14784799       1.61493530       0.84459596 
Hf      10.70874039       3.50002381       5.38331735       0.05357884       1.13586446       2.64862779 
Hf      10.54360345       3.74767159       0.11395521       0.87880688      -5.23199949       3.97582602 
Hf       1.67305274       5.10543114       7.64814457      -0.41665212       0.84888082      -0.65971260 
Hf       9.09019714       9.22006957       7.95466303      -0.12959725       0.51217501       0.71899095 
Hf       1.77775726       1.56927455       8.22542416      -1.58579542       2.05944477      -4.52150754 
Hf       7.42218964       7.49953977      10.45804657      -0.96459133      -1.24476947       2.45528154 
Hf       8.79061880       8.89283346       2.87926302       2.18535966      -1.39937495      -1.53783034 
Hf       5.20952519       8.60926621       2.44413621       0.25133995       3.29073231       2.20014551 
Hf       5.51303926       9.15302356       7.88874091      -0.46298870       1.10381262      -0.76611277 
Hf       0.05281920       0.04432732       5.13973490       0.26692374      -0.61478571       0.71529800 
Hf       3.49220396       3.53228342       4.89936006       1.66070627      -1.84649178       0.36645011 
Hf       0.05092908       7.06947601      10.08462801      -0.76102452      -0.41667362       3.62336384 
Hf       1.77355279       8.90248789       7.83861519       1.33121075       0.87896092      -2.78273318 
Hf       7.23096734       3.71568664      10.58864583      -0.41655650       0.70564247       1.31801958 
Hf       8.73303286       5.35189874       2.77993715       2.49676077       1.09147656      -0.71605547 
Hf       3.45939392       7.23352129       5.07294184       1.02380247       2.12795796      -0.51595988 
Hf       3.60422764      10.90335105      10.30443828       1.03213310      -0.38781270       1.76702159 
Hf       7.26724540      10.67128369       5.04086649      -0.36991321       5.00565513       2.00773656 
Hf       5.37732203       1.40695802       2.55850213       0.83478361      -1.07399702       0.44824061 
Hf       5.72150104       1.82514109       7.62282820      -1.17717318      -1.28026501      -1.70454116 
Hf       1.24908841       9.09859382       2.70733204       2.92525470       0.66764219       0.94135405 
Hf       3.80397086      10.88431895       5.45686281       0.22736455      -0.85862813      -1.73129900 
Hf       3.73288965       3.77662665      10.08365014       0.72686931      -1.79003366       2.16192961 
Hf       7.21364601       0.37272060      10.59268751       1.92131662      -3.52409633       0.72046046 
Hf       9.14782143       1.70523873       2.70464960      -0.87887221      -1.47536403      -2.07588604 
Hf       5.26297075       5.72539086       7.82691829       7.04301609      -3.59851035       0.95111416 
Hf       9.08002143       1.76091143       7.89512129       1.95344160      -0.86894449      -0.71474866 
O      10.49622763       9.50858312       1.71980015       1.62093198      -1.21061699      -0.44518751 
O       5.43183876       7.10881758       3.68433569       0.71222003       0.00035950      -1.21724092 
O       0.62584660       5.63762377       4.49172293      -1.14491586      -5.10058157      -1.11027975 
O      10.54738491       1.80260065       4.32753411       0.26442476       1.58914640      -0.65152262 
O       1.55212326      10.90873812       3.59734668      -0.35681729       0.53069556      -2.90554973 
O       1.79856972       0.16207627       0.79744487      -0.39127442      -2.87929807      -1.57108152 
O       1.63472471       3.41890821       0.99262647      -0.53072162       3.58405755      -2.63920215 
O      10.81027085       1.84036412       9.51001066       1.07836934       0.14527984       0.54532611 
O       1.94388901      10.66114895       8.66144423      -0.27034657      -0.25245639       1.81500352 
O       1.85964536       0.06198291       5.90563885       0.53311846      -1.04096475       2.60897278 
O       0.08140231       1.61217167       6.97570195      -1.47704672       0.34930121      -0.62712070 
O       2.21486649       3.42339141       3.24446515       0.07468341       2.65278184       3.43452191 
O       1.33096150       7.06419675       1.00431614       0.23073642      -0.41322222      -0.86224259 
O       1.78728646       7.35319806       8.95226568      -0.34506729      -3.42777549       1.46007508 
O      10.92724740       1.69712297       1.61699870      -2.20660759       0.35481193       0.52046109 
O       3.63713903       5.40269361       7.17713712      -6.35441807      -1.45050323      -3.06719096 
O       3.70394904       1.54219888       6.82591701      -1.02879793      -0.06312617       1.62012809 
O       5.31074110       3.59208039       8.68111033      -1.05689704      -0.41131698       1.09336364 
O      10.44596172       5.33814655       1.78068817       4.46787169      -2.40391257      -0.45607608 
O       1.84976393       7.25736341       6.43959517      -0.27785116      -0.17270585       0.29370105 
O      10.72545015       9.07824623       6.83181685       2.39832724      -0.43213273       1.32780858 
O       3.91459973       1.39361175       3.95544587      -1.49341704       1.37936823       1.53893575 
O       5.50711283      10.36882446       3.75098218       0.76253956       1.35207791      -1.81773082 
O       5.53723964      10.79282429       0.84381739      -3.55569909      -0.35579532       1.06425213 
O       3.61316061       1.62554851       1.36969737       4.61258017      -0.31138175      -1.52200083 
O       3.14220764       1.65481725       9.61041613       2.37738230       1.77552728       0.40650151 
O       5.31160400       0.02416105       8.72037439      -0.80167300       0.94376977       2.57789465 
O       0.02446201       8.99200619       9.67411392      -0.25268290      -0.07008199      -1.83318089 
O       3.92779316       5.36804186       4.19902642      -2.40174957       0.24126182       1.02414815 
O       5.27691303       3.59591872       3.66403504       1.85941739       0.22407658      -2.39291987 
O       5.49076911       3.68359882       0.92712579      -2.18968180      -0.24930457      -1.45341986 
O       9.33874879       6.82996755       6.32961180      -4.02648067       1.03091279       0.67782287 
O       4.10962102       5.66521021       9.76593328      -0.65174070      -0.77713396      -2.13437569 
O       5.32479864       2.93699278       5.89496850       0.23169209       1.17141409       1.12619941 
O       0.27640235       5.04226860       9.54917332       0.08982717       3.99583316      -1.40580330 
O       9.14023648      10.95326483       5.91573884       0.40402472      -0.66758218       3.41906011 
O       1.66606950       3.55892217       6.14867476       0.97322693       0.68419546      -0.81660831 
O       7.20105012       1.65786477       1.52704823      -0.47533551       0.79971594      -0.29521619 
O       8.95174431       0.04988398       0.88434694       0.37982956       0.94163419       0.80655908 
O       7.38279975       8.89985549       4.51051713       0.90603769      -5.10020672      -1.66969293 
O       6.95973184       1.57195603       3.93071559       0.98662775       0.79195892       1.30415835 
O       3.73786520       8.99032619       6.76788374      -0.64010577       0.50335487       0.94015483 
O       8.94933629       7.20441646       9.02252763       2.31621309       1.48457082      -0.82264515 
O       7.26072460       1.85323085       9.38993676      -0.09443239       3.08885345      -2.38821263 
O       7.23713820       9.35368631       9.88482428      -0.00269920      -0.81904588      -2.04068653 
O       5.81467667       7.29319972       8.64709051       0.45860846       4.77331695       1.94393586 
O       9.39488098       7.08081514       3.82144724      -1.68388473       0.36290025      -0.57953169 
O       5.33926855       6.94823220       6.18155706       1.62011672       1.14007527      -0.68966644 
O       7.22123600       8.55766499       1.76810386      -0.73588552       0.86169185       0.51422582 
O       9.00078775       7.04240439       1.08214264       0.53101078       0.73734108      -1.67418577 
O       7.18828671       5.56089222       9.43508142       0.42486229      -2.20171235       1.40580650 
O       3.67873425       8.94891416       9.35207860       0.56512158       0.73930419       1.04545938 
O       9.08818157      10.94129321       9.16570993       0.71042162      -1.03096058      -3.14076178 
O       7.12845807       4.98437304       6.79034940       0.04526723       0.78427637       0.99247568 
O       5.70118468      10.83356484       6.46808758      -1.10320201      -0.28259303      -1.90087758 
O      10.77858621       5.21380274       7.00220653       1.80275424       0.53001243       0.22771897 
O      10.90168848       9.17836523       4.25423376      -0.47593500      -2.47367921       0.80167855 
O       1.77375558       7.39131213       3.82501837      -0.19742145      -0.03719475      -1.52269821 
O       3.59961955       9.01525789       4.16400503       0.30602033      -0.25003542       1.68816792 
O       3.60670413       5.56152219       1.49890721      -2.30860791      -0.54282033       0.60239425 
O       5.44749630       7.26691310       0.81022167      -0.64087647      -0.26799717      -0.53393133 
O       8.92707468      10.67569567       3.69018377      -0.22862895       2.38341886      -2.34600261 
O       9.02640156       3.80118968       9.40649674      -0.33622711      -1.83430134       0.87084884 
O       7.25139480       5.17055996       1.62482079      -2.83385465       1.35569497      -0.34235529 
O       8.80921157       3.47939530       1.36478326       1.36259444      -0.57638231      -1.89031336 
O       8.84323948       3.50588319       3.79742953       0.68611876       0.89120743       1.69165742 
O       7.29278723       5.44496930       4.43113380       0.11882559      -0.88531455      -3.50277249 
O       3.32086330       8.41763602       1.89363224      -0.45098341       0.61539203      -3.65357854 
O       9.24118726       3.56347483       6.97311325       0.06520730      -1.27487890      -2.29518957 
O       7.54190859       1.56479552       6.54708997      -1.37433242       2.06153702       1.82766879 
O       2.06269784       3.58860537       8.78375841       1.34510304       0.13228387       0.59255554 
O       7.46447323       9.18179949       6.92074438      -1.10453310      -1.46174433       1.02107673 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014155212443853931 0.0021296861505170706 -0.007800057876116026 0.0021296861505170706 -0.022329685526266296 0.009505362668689867 -0.007800057876116026 0.009505362668689867 -0.007890990023114436" pbc="T T T" energy=-1059.45611144 free_energy=-1059.45611397 config_type=crystal 
Hf       1.96694251       1.76114742       2.15922066      -0.73442298       0.48964725       0.62986302 
Hf       3.51446097       7.33631081      10.52444008      -2.59507287       1.36670621       3.93014237 
Hf       5.28174835       5.41297362       2.41702110      -0.77517681      -1.36232479      -0.00539078 
Hf       8.97745465       5.21996626       8.13143797      -1.80500069       0.02742396      -2.15263375 
Hf       0.14503268       7.25134386       5.43491403      -0.66088367      -0.13865113      -1.61224454 
Hf      10.81162687      10.69536213      10.62159286      -2.97531019       2.42999121       0.93270536 
Hf       7.03614578       3.55010193       4.95870740      -2.23171887      -1.23699448       1.65086697 
Hf       7.32380060       7.09878769       5.40652875      -1.05866196      -5.43689736       2.71184693 
Hf       1.52648184       5.30687342       2.47395970       2.06778849       0.05843196      -0.15772789 
Hf      10.67416939       3.46583912       5.33950132       2.21242986      -0.12024793       1.59400970 
Hf      10.53530264       3.78778381       0.11884827       4.13494981      -2.56256566       1.39344963 
Hf       1.73010962       5.08929865       7.65554607       0.74314342      -0.76233648       3.96811565 
Hf       9.01103862       9.21450074       8.01674617       2.60117354      -4.53599141      -2.51802901 
Hf       1.76016346       1.56456676       8.17778381       0.56787254       4.45514006      -3.11535063 
Hf       7.43076720       7.46112770      10.42669144      -0.41705105       0.01038922       1.78726839 
Hf       8.75281227       8.93089186       2.94725844       1.76835924      -1.31163676      -3.14008911 
Hf       5.15086764       8.62030592       2.44058708       1.12992376       2.93657670       1.63630203 
Hf       5.56322607       9.16438789       7.89602380      -5.33511498       4.00398767       0.71330257 
Hf       0.06923228       0.00114698       5.14346887       0.64313047      -0.64847492       0.45977841 
Hf       3.54588212       3.49807222       4.98373711      -1.69656479      -0.75452800      -1.15492684 
Hf       0.03111208       7.10544215      10.08988500       0.93094840       2.02666245       4.68270412 
Hf       1.72597954       8.95399423       7.89336612       1.03892059      -3.13439257      -2.02172216 
Hf       7.25204822       3.73394591      10.60246545      -1.14547196       0.02917880       1.81009421 
Hf       8.75936593       5.36609596       2.78174004       3.29624682       0.99828331      -3.24719547 
Hf       3.52740066       7.16950539       4.98090054       0.84892075       1.67844090       1.26846027 
Hf       3.64947296      10.91362296      10.38004533       1.45935082       1.72485855      -0.51288327 
Hf       7.24071500      10.71957741       5.07631772       0.07696417       2.55553568       0.63231789 
Hf       5.44471874       1.46310861       2.55449659       1.48285667      -1.67031106       1.85190103 
Hf       5.65336141       1.81517343       7.59806816      -0.97402607      -0.49846406      -0.68216470 
Hf       1.23292853       9.11511416       2.70656473       3.19562202      -1.40660855      -0.78997692 
Hf       3.70024843      10.92981001       5.39957250       0.86154706      -0.81522998      -0.20318936 
Hf       3.77063832       3.75798042      10.07751901      -0.57024860      -1.28065307       2.39875524 
Hf       7.20387085       0.30497461      10.58084085       1.00952711      -0.55007992       0.81608438 
Hf       9.12844005       1.71962111       2.67802002      -3.21317359      -1.09085490      -0.14247429 
Hf       5.26879912       5.66420642       7.85285347       1.41027461       0.28730975       1.44037616 
Hf       9.07816899       1.75379397       7.87106467       1.00038845      -0.46150766      -0.16369674 
O      10.50892596       9.48620187       1.64775562       2.27811809      -1.72222294       1.08016228 
O       5.40679959       7.12019155       3.87832036       0.19071056       0.08883137      -3.95354392 
O       0.53397002       5.32559010       4.46342662      -1.89557257      -1.59224967       0.64569570 
O      10.77019884       1.70355589       4.17777734      -0.90758536       2.18731477       1.92625176 
O       1.68738900      10.92128876       3.58585832      -0.56310684      -0.19245506      -2.80411811 
O       1.65848291       0.13575886       0.62244721       2.18960334      -0.29237815       0.94826160 
O       1.67548311       3.64860382       0.90379514       0.26804585      -0.39857718      -0.11033501 
O      10.81027030       1.95805566       9.64662052       0.63158017      -1.23802076      -0.11107969 
O       1.93995011      10.70525441       8.54125777       0.17692683       0.29383023       3.10546627 
O       1.85977180      10.89395376       5.97546777      -1.39883851      -0.18294583       1.62042243 
O      10.93484188       1.67721887       7.03712874       0.34770045      -0.87453910      -0.98414995 
O       2.08872371       3.31835240       3.32138659      -0.35215486       1.73382963       0.93074508 
O       1.44080493       7.17966653       0.97235686      -0.41277817       0.12706019       0.24447921 
O       1.81234941       7.09805539       8.96325065       0.51945066       2.58701860      -0.77194987 
O      10.71911528       1.93564538       1.86123909       5.84430749      -0.03793334      -2.74809177 
O       3.42750122       5.58505984       7.08390740       3.38669341      -0.55095404      -2.46649911 
O       3.69385900       1.48717894       6.96169919      -2.55867655      -0.93521858       0.39637619 
O       5.36862198       3.68880270       8.73142472      -1.15317245      -0.69145000       0.01820265 
O      10.68661453       5.26063866       1.68246909      -0.48915763      -0.43028515       0.67770643 
O       1.92066196       7.43320425       6.43371669      -2.25101822      -0.94448932      -1.00488547 
O      10.76742653       9.06834562       6.91544785       0.83266388      -0.75645780      -0.16869990 
O       3.80728954       1.68126416       4.03537075      -0.00667412      -1.52048155       0.01357996 
O       5.72479299      10.55272837       3.54784955      -0.16152831      -0.21439677      -0.15985579 
O       5.51570014      10.62444383       1.00122034      -1.38818226       0.38682138      -0.87673889 
O       3.93031326       1.59510288       1.38578659      -3.78563731      -0.02801779      -1.56476114 
O       3.25962561       1.80085404       9.54035762       0.98440741      -1.73220059       1.92506774 
O       5.04040290       0.23907767       8.80743419       1.13362839      -1.36702454       1.34815142 
O      10.89790296       9.11532648       9.49535486       1.56159472      -2.24897379      -0.74419939 
O       3.76983536       5.30646421       4.03937788      -1.56440382       0.55868488       0.68924984 
O       5.44945852       3.71437127       3.67373571       0.98669480       0.64513146      -1.86833721 
O       5.39389616       3.85155726       0.83491114      -0.75800083      -0.46917742       0.01093100 
O       9.12231181       6.96129669       6.29493342       0.01356824      -0.32854641       1.56738105 
O       3.84733569       5.72014053       9.71243858       1.80338336      -2.72293659      -3.81636353 
O       5.11243652       2.84572798       5.91533250       3.64680862       2.33745425       0.89767379 
O       0.50296115       5.36594850       9.58731081      -2.30407653      -3.81500935       0.47438025 
O       9.21483282       0.04741450       5.88897874      -1.44479880      -1.43023296       3.17196457 
O       1.74253789       3.39282154       6.15268402       0.03418117       1.00441390      -0.45572616 
O       7.20817667       1.65038883       1.47759256      -1.06960030       1.14359900      -0.62502730 
O       9.09797481       0.10033998       1.07959242      -2.58284263       1.68754745      -2.20513463 
O       7.31035890       8.64820833       4.52323058       0.85721452       6.29314565      -2.49930130 
O       6.86607688       1.74775119       3.96793282       2.42341728      -0.02335767       2.11049893 
O       3.61944257       9.10490809       6.75269968       1.53003759       0.67008238       1.49718574 
O       9.22776671       6.99831515       9.16609172      -1.73503990       1.45731227      -3.37886018 
O       7.21700118       1.87150534       9.10387243       0.64917869      -0.99491489       1.66853950 
O       7.05799379       9.48919571       9.75458756       1.03176361      -2.33380921      -1.49849642 
O       5.98593791       7.51177367       8.66902951      -0.25211620      -3.35083475       0.30106919 
O       9.26936631       7.09495791       3.80889588      -0.01243643       0.25007241      -0.99263203 
O       5.28239410       6.79740884       6.21923198       1.88904386       1.81914127      -0.39826751 
O       7.32095127       8.64142635       1.62881985      -0.76676517       1.14310867       2.15658016 
O       9.03724515       7.20578804       0.90115255       2.07464527      -0.58891855       0.53496457 
O       7.24517694       5.43996526       9.60133960      -0.08523814       0.85334454      -1.13177378 
O       3.71611962       9.05390233       9.47651124      -0.07114960      -0.11522337       0.56442692 
O       9.25887901      10.65393925       9.02977076      -0.69506717       6.36605257       1.37337928 
O       6.97710006       4.98691779       6.92719746       1.84161094      -0.12922847      -0.62858060 
O       5.69106451       0.02759192       6.38009158      -1.11076243      -0.72293016      -1.09996202 
O      10.89418822       5.05257063       7.28119779      -4.32357129       1.85200990      -3.01250184 
O      10.89366200       8.94024095       4.18269942      -0.70074841       1.03703978       1.62901857 
O       1.78260672       7.26489238       3.90925724      -1.16560587       0.17662820      -1.83735457 
O       3.72763055       9.04084497       4.19336583       0.57740517       0.38872134       0.67796551 
O       3.55537100       5.68557676       1.43132537      -0.18721994      -0.30884057       1.76508539 
O       5.61899320       7.36761627       0.64380182      -3.67409618      -0.69824598       1.69817383 
O       8.81936888      10.82238391       3.65993076      -0.29688421      -0.45136453      -1.29642095 
O       8.93482978       3.67333853       9.47778460       1.48657119       0.54435730      -2.23984218 
O       7.34092132       5.23487113       1.43674372      -1.62509521       0.78880534       1.73917595 
O       8.98963312       3.39457658       1.31595863      -2.05390535       1.13894799      -0.24043698 
O       8.84966430       3.65928417       3.97281855       2.15065028      -1.52730625       0.36979718 
O       7.44543466       5.52728414       4.19095284      -2.77939059      -0.90549809       1.29765680 
O       3.25573656       8.43153031       1.93107959       0.99114883       1.25633989      -2.43753784 
O       9.31136263       3.47623505       6.93328947      -1.13885235       0.95337683      -1.87588935 
O       7.60298895       1.68238715       6.46102993      -1.83016197       1.15013193       0.66876683 
O       2.16189599       3.58104474       8.86428626      -0.73375059       1.16817389      -1.61254650 
O       7.29200420       9.27052797       7.12732952       1.79664360      -0.50784760      -2.73461490 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02300478069115512 0.0024848954967349878 -0.0059786342377266075 0.0024848954967349878 -0.008635368454628745 -0.0030769076180492973 -0.0059786342377266075 -0.0030769076180492973 -0.008467260428020845" pbc="T T T" energy=-1060.32392024 free_energy=-1060.32392714 config_type=crystal 
Hf       1.93951121       1.79744169       2.48666890      -3.79314963      -1.07173493      -1.02046152 
Hf       3.49794228       6.85795816       0.02344715       0.43239503       1.02705800       0.11320141 
Hf       5.39685691       5.18170298       2.61745364       1.85634982       2.02895450      -0.55369904 
Hf       9.08349339       5.36060164       8.30723313      -1.10519638      -0.34599869      -1.88893202 
Hf      10.70220777       7.16469022       5.21583588       2.67965588      -1.40815038      -0.42734059 
Hf       0.00338004       0.37942304      10.35420719      -0.92259232      -1.85153837      -0.20786542 
Hf       7.21981139       3.74583405       5.20617805       0.99627633      -0.79797199      -1.16332064 
Hf       7.00077214       7.24909207       5.16158717      -1.01966131       0.72216989      -0.10330357 
Hf       1.69640951       5.23803325       2.84892254       0.15906258       0.34257428      -1.81475079 
Hf      10.74476208       3.31457565       5.07487780      -1.15931565       0.55596899       2.57980472 
Hf       0.12845034       3.63646173      10.56054701       2.15849430       1.75397627       1.91554813 
Hf       1.72037225       5.33498903       7.79348190      -0.40911897       0.10138173      -0.07263737 
Hf       9.05850538       9.01207604       7.57186459      -2.44607716       1.59216454       2.16645698 
Hf       1.72734564       1.79070287       7.69293858      -2.33514373       0.20662175       1.69576409 
Hf       7.31530356       7.46359401       0.02019648      -3.27199220      -0.77732012      -3.51549374 
Hf       9.00024499       8.83757808       2.44618187      -0.89442574       3.42955578       3.15415581 
Hf       5.26852566       9.29372391       2.50457473      -0.91935286      -5.60029486       1.08613212 
Hf       5.24339446       9.09209363       7.82353423       2.51850323       0.11952657      -0.36785996 
Hf       0.01372907      10.42279788       5.24473486       1.49962525       4.19593638       0.63073210 
Hf       3.65894158       3.02846311       5.05478124      -1.67621667       4.96290229       1.08363942 
Hf      10.80113541       7.50902306      10.36422417       1.90379176      -0.86351020       0.73640198 
Hf       1.61476343       9.07706331       8.06758553       3.47216952       1.03040177       1.85351059 
Hf       7.34831278       3.67590880      10.61108758      -2.36084754       2.57138205      -2.14850660 
Hf       9.28224114       5.55817897       2.43348797      -1.59997554      -3.95755027       1.29490006 
Hf       3.33013394       6.91781353       5.30332021       2.45730596       0.42028824       1.18482231 
Hf       3.52337203      10.74025521      10.59680019      -2.31994649       0.65343540      -1.73990133 
Hf       7.17065105      10.88496907       4.94510048       2.89857382      -0.05888846       1.31963523 
Hf       5.60304214       1.68573256       2.56192041      -0.54959072      -0.19293593      -2.98717528 
Hf       5.66148506       1.89901323       7.74388741      -0.97996305      -1.97471495       0.92464767 
Hf       1.57710524       8.89542543       2.63816010       2.78802436       0.71395851      -1.34579567 
Hf       3.55260253      10.88620688       5.66496725       0.50602216      -2.25113357      -4.55939769 
Hf       3.55411555       3.34604599       0.05951273      -0.16167971       0.09596207      -1.97618428 
Hf       7.16847432       0.17690270      10.51901578      -2.59745829      -3.23428331      -3.31832236 
Hf       8.96190019       1.96993208       2.34493161       0.98357399      -1.33862871       2.10339789 
Hf       5.44592248       5.63732292       7.95037646       1.15767635      -0.47236747       2.81639574 
Hf       8.93496147       1.80673435       7.80736327       1.17130734      -1.23806560      -1.92744830 
O      10.70822633       9.36111207       1.54353498       1.25459863      -1.76872632      -1.23372020 
O       5.58555768       7.46297872       3.46182852      -0.23142977       0.26107096       0.63914224 
O       0.05041414       5.18993543       4.15954446       0.43611231       1.83256225       1.56178351 
O      10.53488105       2.36645031       3.48240106       1.20048088      -1.66707667      -0.92579399 
O       1.41866582       0.43959285       3.78475189      -0.99282755      -2.17146614      -0.09037685 
O       1.72528350       0.05588075       0.93619456       0.12237821      -1.37999051       0.21207792 
O       1.86126072       3.59246714       1.16283120       1.46283565       1.34124881      -1.23234975 
O      10.69994853       2.17655731       9.34057600      -0.98157618      -1.65420914      -2.81056071 
O       1.43097751      10.90910328       8.78100730      -1.05484929       1.58482353       0.34213752 
O       1.80850747      10.79719826       6.17526416      -6.05431352       0.16797970       2.19874366 
O      10.91302147       1.46594589       6.44338760       0.42880696       1.39688655       0.66179666 
O       1.88889536       3.47729866       3.66217901       1.50672630      -1.86016366       1.71328982 
O       1.62475990       7.24000626       1.03605146      -1.28284672       1.16938593       1.63306004 
O       1.67058074       6.86885051       9.29499407      -1.40277718       0.16069195      -2.24518939 
O       0.24711137       1.89642904       1.02028196      -1.61856016      -0.62281798       1.73689905 
O       3.60202888       5.66257234       7.32115837       0.32048027       0.34941994      -2.69708436 
O       3.50484061       1.45844782       7.12272642       3.24329663       0.77368700      -1.26863330 
O       5.51559573       3.73008743       8.88369046       0.34589183      -2.14972221      -1.16442938 
O       0.01204985       4.96040197       1.68807450       1.49881636       1.11155518       0.49215928 
O       1.56632991       6.81158798       6.35128572       0.26162072      -0.06832058      -1.37706879 
O       0.35263573       8.76973754       6.68541248      -4.45107211       0.74658044      -3.67148108 
O       3.96330287       1.39963524       4.16262198      -0.63247712      -1.69528331      -1.08381017 
O       5.92190962      10.84185984       3.29417688       0.99945505       1.24564566       1.79923021 
O       5.27154273       0.10606372       0.76632220       2.16156853      -0.50777357       2.14185034 
O       3.58298702       1.77405030       1.48797763       2.48633021      -0.12878197       0.72370377 
O       2.94696197       1.63435637       9.70285760       1.31187297       1.00573035      -0.11954338 
O       5.18514141      10.81244046       8.82639250      -0.07803651       1.12967741       0.23648248 
O      10.85208300       9.09698559       9.17417146      -1.24878046      -1.24465723       1.53203924 
O       3.80498023       5.12828634       4.54482924      -0.08927566      -0.07145892       0.84052465 
O       5.30374887       3.27085398       3.44260651      -1.06968745       3.73766456       2.80468891 
O       5.34692910       3.60439056       1.03075652       0.58769892       0.58576014      -0.86355409 
O       9.16197330       7.52605613       6.14273613      -1.85761644      -0.61543023       1.66149358 
O       3.81750798       5.24061021       9.55100948      -0.58857062       0.63918539       2.81794297 
O       5.25427234       3.13310134       6.17924175       2.32695640       0.93027506       0.13232466 
O      10.33083103       5.52060087      10.07261670      -0.10439432      -0.16800977      -2.84178760 
O       9.13751129      10.62613160       5.90126406      -0.16496185      -1.75320821       0.50649893 
O       1.93570060       3.41644114       6.39861835       0.03609214       0.26598116      -1.44591819 
O       7.24907739       2.04382416       1.12146972      -1.05160508      -1.67861326       1.53599371 
O       8.84715800       0.10839888       0.57285878       4.65076962       0.74540455       1.44509347 
O       7.72575104       8.88426028       4.34479082      -0.05817931       1.65296580      -2.31315143 
O       7.33502743       1.91805224       3.93535674      -0.75346613      -1.86822933      -0.47006512 
O       3.42124020       9.57339717       7.24187049       0.56829750      -2.08697389      -0.46188982 
O       8.85941875       7.25265266       8.81823697       1.98334909       1.96858140       0.29144400 
O       7.09199596       1.51004620       9.13278777       0.61086667       1.79732520       0.38387675 
O       7.51399237       9.19709768       9.42566933      -0.77832107       0.06478537       1.46733303 
O       5.46396646       7.46870279       9.01635430      -0.85632770      -0.75656145      -0.96307113 
O       9.24413957       6.94283692       3.80483836      -1.03743840       1.11323013      -1.96658209 
O       5.06809024       7.61233639       6.21004076       0.41941629      -1.94690074      -0.33455472 
O       6.95711588       8.86308398       1.53614666       2.43076978       0.17882933      -0.84607261 
O       9.09496092       7.27433327       1.03458541       0.52891212       0.33009640       0.17676833 
O       7.27712343       5.61657017       9.41373031      -0.71559555      -0.45007712       2.30554415 
O       3.02402056       9.05193638       9.60874971       1.52724923      -1.52233405       1.86400840 
O       9.19646037       0.02262984       8.67460357       1.02875153      -0.46424055      -0.89967519 
O       7.50269542       5.25731778       6.70411133      -1.79009677       1.32506359      -0.16751575 
O       5.41772381      10.73025622       5.95151468       3.07461516      -0.63068214       1.01261887 
O      10.58675223       4.84151206       6.99237406       0.76049782       1.18838753       0.77913211 
O      10.73692415       8.91928858       3.96016919       1.48070079      -1.75856587       0.02268716 
O       2.31075209       7.14904911       3.68081398      -4.10115820       0.36285817      -2.03622425 
O       3.35367181       9.25809532       4.30074711      -0.16525200       0.32742729       0.27612568 
O       3.56889136       5.56161104       2.16606914      -1.83386681       0.19691351      -3.18389222 
O       5.37730132       6.70786260       0.72982062       0.68086558       0.81725287       0.69793090 
O       9.07112910       0.01324876       3.03890083      -0.79310803      -0.53766550       0.63270280 
O       8.19526165       3.54333693       8.48591608       1.36947866      -0.00621932       2.36422386 
O       7.39209975       5.31188020       1.83771562      -0.59919984      -0.48042702      -2.64643150 
O       9.19204675       3.66728150       0.78040488      -1.35021570      -1.41754752      -0.07729952 
O       8.73332944       3.85986508       3.70771524       0.31671717       1.58386684      -1.09850230 
O       6.70738152       5.38314361       4.18759843      -0.01674215       0.52081671       1.98507675 
O       3.53097057       9.14388406       1.72950209      -2.02386875       0.26133722      -1.77442350 
O       8.87074540       2.91796747       5.99949239       1.58688653       0.99289974      -0.00607133 
O       7.35363378       1.17440585       6.62260178      -2.12383567       1.23222083       1.22764937 
O       1.78974017       3.79987003       8.95203376      -1.18305662      -1.93531565       1.95601914 
O       7.09106284       8.75398117       6.69667539       0.89636209       0.92462467       2.04981024 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0032428568502052635 -0.0002343875357590039 -0.003720356066002084 -0.0002343875357590039 -0.0017615464071562615 0.007149416238691878 -0.003720356066002084 0.007149416238691878 -0.019413314154134484" pbc="T T T" energy=-1063.03672374 free_energy=-1063.0367283 config_type=crystal 
Hf       1.91017225       1.43806572       2.60997529       2.62060118       1.93529007       1.25512305 
Hf       3.66472996       7.35836590      10.48555612      -7.41310105      -1.55543760      -1.79016806 
Hf       5.56883565       5.45237392       2.63068154      -4.81643333      -5.69173982       1.79372044 
Hf       8.69938512       5.69295037       7.75728027       1.93307209      -0.39357713       2.92131951 
Hf      10.81245745       6.90705452       5.25383073      -4.21240355       0.99797144      -1.38051944 
Hf       0.15404914      10.94276953      10.46969712      -2.58736457      -0.95912500       0.35272772 
Hf       7.13006357       3.41998201       5.17409686       0.41561976      -0.72839120      -0.11700998 
Hf       7.19321099       7.16547708       5.32006641       0.43976409       1.28550591      -0.53983675 
Hf       2.07404738       5.38581249       2.31413780      -2.25791776      -0.83018156       1.45353298 
Hf      10.88792073       3.64783844       5.40247740       0.81700878      -2.70620937      -0.59268996 
Hf       0.04350124       3.76354607       0.14742784       0.23514062       2.05662942      -0.42847527 
Hf       1.73445992       5.42569332       7.77237887      -4.36594843      -0.82236548       0.99414904 
Hf       9.04542052       9.24779931       7.94485895       1.37750738      -0.07638917      -2.88346481 
Hf       1.48808818       1.85852402       8.20729364       4.01776957       0.04295257      -2.27894045 
Hf       7.17214008       7.47486850       0.13412501       3.40470733      -1.30711047       1.09088548 
Hf       9.13792674       8.87079930       2.83104382      -1.53503381      -0.90618397      -2.69028255 
Hf       5.07362532       8.94012920       2.65915578       1.53284867       1.39317125      -0.02805755 
Hf       5.60563598       8.94025366       7.91143319       0.32816901       4.44803051      -1.57570501 
Hf      10.91464778      10.82713695       5.25893254      -1.52441309      -2.50175856       2.68081851 
Hf       3.61889148       3.52143885       5.00952465      -2.84666329      -3.03692544      -1.27539168 
Hf      10.74343103       7.30716577      10.24847096       0.90591381       0.11323314       0.87757024 
Hf       1.87869522       9.07265199       7.83065332      -5.64075536       2.10999101       0.84673436 
Hf       7.17145490       3.76819207      10.35720892       0.44494445       0.41398788       0.36177192 
Hf       9.08875424       5.08399123       2.56910413       1.43792910       3.20889019      -0.19549707 
Hf       3.63727126       7.17491436       5.04257893      -2.34013442      -3.00157016       0.77248982 
Hf       3.55851209      10.75661066      10.51548334       0.99183156       2.10356701       1.00830297 
Hf       7.27066783      10.84644077       5.02687426      -1.33543482      -1.25598815       1.02746312 
Hf       5.47999169       1.61429780       2.48472018      -0.53060086       0.61174548      -1.54057435 
Hf       5.21764972       1.70610480       8.00888656       0.17010482      -3.60309832      -1.10868669 
Hf       1.38419013       9.02559367       2.42605968       3.60678572      -2.18435590       0.24948831 
Hf       3.50508165      10.54174696       5.40950625       1.42249182       3.64679889      -0.86416980 
Hf       3.75206374       3.63994486      10.28909702      -0.82261930      -2.94399395       4.38991515 
Hf       7.24552710      10.93470011      10.49290777       1.90318415       1.56746050       0.79017417 
Hf       9.35106290       1.65834848       2.50960904      -2.44037459      -1.02280487      -0.16745068 
Hf       4.99375981       5.39773503       7.84215932       4.02191802       0.01875568      -1.06431491 
Hf       8.91401360       1.97500416       7.82108584      -0.44727018       0.39897100      -0.15408820 
O      10.82302988       8.79768893       1.31548713      -0.22575648       2.55176356       2.10445462 
O       5.38486786       7.10076087       3.53231346      -2.11696408       3.57782213       0.76425585 
O      10.66371758       5.15359865       4.28875314      -0.03101602       1.56916399      -0.77490574 
O      10.76510419       1.69445825       4.69497258      -0.05855211       0.71976298      -2.80571651 
O       1.71015557      10.68136989       3.71719886      -1.88429719      -0.90816163      -1.30856576 
O       1.70868341      10.75684501       1.05592557       0.03151288      -0.59033605       0.43016549 
O       2.01797468       3.71514936       0.67270091      -0.61753508       1.54868375       0.93617710 
O      10.91480062       2.10656435       9.54708397      -1.12519798      -1.44093585       1.68150105 
O       1.80678376      10.90941673       9.11567816      -1.43715099       0.82674790      -0.05453280 
O       1.65418300      10.53205407       6.14381848       1.84612950      -0.30472195       0.84539158 
O       0.00086136       1.31091235       7.24849831      -3.47000756      -0.43478535      -1.85257503 
O       1.61332742       3.64678556       3.68261252       1.19826271      -0.69394657      -1.39534778 
O       1.58362439       7.28854978       0.68758576       2.87637333      -0.77162908      -0.28610344 
O       1.63026211       7.26678481       8.54226253      -0.11281600      -1.83168115       0.80953197 
O       0.31425259       1.74532783       1.51679306      -4.74622506       0.81170516      -0.18862280 
O       3.30170093       5.41694276       6.77404728       2.44432215       0.08917647      -0.48916472 
O       3.32576863       1.25474302       7.21883745       1.56406251       1.07999238      -0.89155784 
O       5.71026117       3.48748061       8.78648315      -3.80876806       3.74710892      -0.52402806 
O       0.10482482       5.35748247       1.71108480      -0.64047766      -2.18600023       0.13860012 
O       1.57496148       7.27982113       5.85458362       3.92608092       0.09364382       1.76822202 
O      10.81506322       9.24488524       6.96442596       0.47711142      -0.36479808      -0.41853458 
O       3.27960388       1.51499601       4.10788837       1.62661996       1.37240597       1.99749627 
O       5.08345844      10.68442596       3.68328470       0.57342137      -0.35484616      -1.90813712 
O       5.48137007       0.05623813       0.77572802      -1.19964138      -0.57514362       2.44470253 
O       3.40309257       1.84308690       1.33228127       0.97695944      -1.60664985       2.07934895 
O       3.78459725       1.67004094       9.64124926       0.20736299       2.41471541      -1.23742607 
O       5.25254688      10.77301596       9.09613940       1.55841309      -1.56114937      -2.31459569 
O      10.60573657       9.24123119       9.40375393       1.22335832       1.72958083       1.52534349 
O       3.47092752       5.30429459       4.36595932       0.47850941       1.13403045      -2.37588016 
O       5.20237553       3.46324134       3.49333692      -0.51576538       1.22002165       0.78353478 
O       5.59178255       3.46240584       1.19122126      -0.06727029       0.11890500      -3.24554486 
O       9.00373645       7.25111422       6.28871035      -0.66483299      -0.55161192      -1.07121558 
O       3.68266636       5.45123110       9.54393970       0.34229828       0.76870024      -2.38519513 
O       5.29568164       3.69238783       5.96483738      -0.21991184       0.07327560       2.67153235 
O      10.43360674       5.36083445       9.72205634       2.21101518      -1.23855960      -0.65388875 
O       8.79217598      10.73179981       6.25638171       1.97626304       0.92104038      -1.72377533 
O       1.61999448       3.31235454       6.40304650       0.86473523       1.04821833       0.23351056 
O       7.47932562       1.44193034       1.53957727       0.13187945       0.63840236       0.51206660 
O       9.09125670      10.55213390       0.93687492       1.92201930       2.46087492      -1.66177788 
O       7.19841093       8.85751756       4.06361497       0.76200966       0.51570574       1.45876283 
O       6.70050499       1.68200982       4.05888358       1.80237162       0.27245623       1.78704823 
O       3.56979918       9.24638402       7.11614154       4.56154566      -0.69151244      -3.02008490 
O       9.34797824       7.30825874       8.75889080      -1.23790083      -0.48654795      -1.00076921 
O       6.97997929       1.90124573       9.59027832       1.19480505      -2.35067571       0.40366975 
O       7.49765807       8.76446683       9.25796965      -3.31427610       1.20773264       2.47237146 
O       5.07017506       7.25804542       8.53398913      -1.17924871      -0.86987870       2.18094403 
O       9.35017327       6.90298841       3.49459837      -1.07574801       1.87142761       0.08229162 
O       5.35007007       7.05582659       6.09683957      -1.26369032       1.11877977       0.59777655 
O       7.45504756       8.96469781       1.64071253      -2.91596050      -1.08142959      -1.49890898 
O       9.35897730       7.16481019       0.91516296      -4.98068249      -0.91534204       0.39750477 
O       6.93058735       5.78284752       9.55380267       0.28183323      -0.67250455       0.45278113 
O       3.22189885       9.09549251       9.56223625       0.52397940      -1.80675642      -0.51406598 
O       8.57785449       0.15017345       8.57059275      -0.24178251      -0.01533940       3.00870758 
O       6.96962368       5.49000175       6.82827708       0.38024797      -0.44808442       0.04895362 
O       5.57201826      10.94462395       6.16030151      -1.92761700      -0.26758783       1.25653195 
O      10.58318112       5.39523060       6.86091608       2.22130865      -0.67247306       0.00937792 
O      10.61600914       8.87813861       4.30210741       1.03365176       1.25373553      -1.13761741 
O       2.12629852       7.14167484       3.31141765      -1.38155270       0.29229857      -0.79721932 
O       3.45737780       8.85350394       4.20816704       1.51402062       2.47681941      -0.29370912 
O       3.81495381       5.57230793       1.37981958       0.92433235       0.16319921       0.32144912 
O       5.21268764       7.63613424       0.67747110       6.48790239       1.09711100       2.79057772 
O       8.75615407       0.01863955       3.55025649       2.07693465      -0.10898330      -0.43518892 
O       8.56551102       3.87551431       8.77088297       0.24463147      -1.64942145      -0.87624923 
O       7.02920734       5.63864651       1.65341057       5.72753150       0.98573800      -3.94993845 
O       9.00297950       3.84364966       0.84230605       0.04766027      -1.09662970       0.95059837 
O       8.95111292       3.39063560       3.63102775      -0.77453504      -1.13686939      -1.31562371 
O       7.16440931       5.56980252       4.16445123       0.54756792      -3.26998315       0.06964697 
O       3.47009421       9.08960267       1.45431176      -0.24089591       0.26221238       0.95009172 
O       9.04812632       3.15168907       6.11436084       0.52657505       1.61667045       0.09910557 
O       7.18841347       2.03530992       6.72311960      -2.00503991      -0.69868585       1.01519542 
O       1.89939406       3.73158884       8.86330085       0.55723241       0.91342615       0.50109499 
O       7.23157529       9.03648908       6.81501007      -1.27728230      -1.65915583      -0.49201485 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.001799891736380529 0.0006493641128532439 0.0025458462363302514 0.0006493641128532439 -0.03162549059335269 0.008651449515646309 0.0025458462363302514 0.008651449515646309 -0.02775856503123429" pbc="T T T" energy=-1065.07521984 free_energy=-1065.07522076 config_type=crystal 
Hf       1.87632160       1.44609613       2.81908641      -1.97581063       3.76837138      -0.52019369 
Hf       3.56584165       7.48635455      10.43991530       2.37184855      -1.70657699       0.38251069 
Hf       5.47193596       5.35576687       2.68519428       2.03612653       2.21602093      -1.48532543 
Hf       8.72507519       5.74655446       7.71637265       1.69320223      -2.68461081       2.16230246 
Hf      10.80289067       7.03069571       5.07219760       2.72382756       1.20702544      -0.51462134 
Hf       0.07978400      10.93193547      10.57994727      -1.66857678      -0.27360511       0.59709470 
Hf       7.12655863       3.41341849       5.16894339      -0.84598831       0.71627847       2.15795899 
Hf       7.25433265       7.10937404       5.25247415      -2.15085197       0.25454820      -1.53246112 
Hf       2.15460214       5.26012548       2.23371432      -2.29007649       3.96454151       3.64972331 
Hf      10.90047280       3.65528676       5.30491785       2.37184043      -4.25031314       0.58635634 
Hf      10.92230877       3.82133568       0.17090327       1.41722776      -3.12818063       1.07164714 
Hf       1.74814002       5.46945870       7.84586097      -0.79112098      -1.03394626       0.10495929 
Hf       9.11074457       9.32226779       8.00026835       1.61217171       0.85289547      -0.56213599 
Hf       1.55395357       1.72354687       8.21164525       0.68177936       1.47922713      -1.04217825 
Hf       7.29639098       7.49426259       0.10300862      -7.61699467       0.30368321      -2.45996430 
Hf       9.05183953       8.79698588       2.89711613      -0.09703325       6.66059521      -3.78563454 
Hf       5.18628839       8.96778444       2.62122247       0.09800391      -0.39595511      -1.89740682 
Hf       5.59801170       8.91637374       7.92539597      -2.04246965       1.38317377      -0.43856659 
Hf      10.80640020      10.85159458       5.21293363       1.97716783       0.84819959       0.56572017 
Hf       3.52354086       3.60935658       4.98430501      -0.92241543       0.59496656       0.82264336 
Hf      10.70613681       7.14471152      10.32830857       1.37821760       2.38345232       1.06627085 
Hf       1.84989310       9.16822819       7.68644989       0.63857110      -1.37060042       1.41818525 
Hf       7.20594800       3.72847043      10.36509543       1.67977971       0.64052783       0.03167769 
Hf       9.05238240       5.03088487       2.63345135       0.76730749       0.53522945      -0.83428604 
Hf       3.59411514       7.20336863       5.09640876      -0.14767556      -0.72818648      -1.15989393 
Hf       3.68974952      10.80526571      10.46203488      -0.68339306       0.91359500       1.60768236 
Hf       7.32762534      10.74255378       5.11904672      -1.26470483       1.13956502       1.40489831 
Hf       5.46204993       1.54628196       2.46019472       0.84044966       3.87658376       1.29867556 
Hf       5.15576958       1.58511759       7.94814639       0.18294572       0.89661817      -1.03645307 
Hf       1.45530104       9.07348935       2.47780878       1.15013869      -2.02841522      -0.85098108 
Hf       3.57675624      10.55827178       5.26547438       2.10920822       4.72192811       1.18611010 
Hf       3.74730325       3.73998968      10.32561443      -1.43717989      -0.94272745       3.48376729 
Hf       7.21366015      10.88818214      10.60017660       1.95446769       0.90043289       2.02771311 
Hf       9.24405795       1.64323106       2.54316150       0.42831173      -1.63098905      -1.55861723 
Hf       4.96176654       5.45696711       7.65264180       2.36319936      -1.00332597       1.55718095 
Hf       8.85644267       2.02024477       7.83802857      -0.46029227      -2.94755182      -0.28227435 
O      10.66858030       8.83013753       1.60775529      -0.48196924      -0.93635927      -1.13266142 
O       5.42008034       7.24648169       3.63523396       0.90475245      -1.68268868       1.57279386 
O      10.56318862       5.16097028       4.29518464       0.16714012       4.12773445      -0.24586220 
O       0.23017723       1.77160372       4.17850394      -1.33114550      -0.32917179       2.82981633 
O       1.42472876      10.68077476       3.57128915       1.29760286       0.24414666       1.67685177 
O       1.80400477      10.63180681       1.02081979      -0.97429663       1.59831967      -1.22149028 
O       1.96123181       4.07178206       0.87193056      -0.38660878      -3.57989482      -4.18973472 
O      10.81641574       1.82673069       9.85035390       1.05920225       1.73064790      -2.38742795 
O       1.47978846      10.78582122       8.92189544       1.04779913       1.04852875       0.06018992 
O       1.84926543      10.44615071       6.17586991      -1.49486864       1.08025354      -1.34829203 
O      10.75878718       1.26956605       7.13052598       1.47807712       1.87419961      -0.16936173 
O       1.79606277       3.60525334       3.33693033       0.94419759      -0.57815818       1.70337959 
O       1.92226986       7.11202922       0.64097419      -3.95604820      -1.19261673       1.46681411 
O       1.89269228       7.31513374       8.80454299      -1.08291524      -1.50180897      -1.15430278 
O       0.00248822       1.90772950       1.62740534       2.45077392      -0.45484422      -0.02217259 
O       3.36519599       5.28154084       6.52350698       1.14365759       0.84188635       0.98492258 
O       3.35098167       1.35453421       7.25262417      -1.37841544       0.16959533      -0.21036201 
O       4.95026142       3.62586114       8.85855521       3.89119033      -2.07289424      -3.71659725 
O      10.89886983       5.06865787       1.77936550       0.11178201       1.45532445      -0.66287804 
O       1.94932954       7.12783512       6.13718641      -3.31493504       1.05629012      -0.00937735 
O      10.94729590       9.14764668       6.90907013      -1.77308892      -0.77694414      -0.23963832 
O       3.35022187       1.71496043       4.57924828      -0.76018382      -1.52623491      -1.22579609 
O       5.16044297      10.84378909       3.39210909       0.50718560      -1.26269300       2.81956175 
O       5.35137329       0.23376521       1.09931432       0.11100533      -3.02259483      -5.23556678 
O       3.49466665       1.59182649       1.80330700       1.01703489       0.76173386      -0.91240883 
O       3.50454831       1.78835161       9.60985842       0.10673219      -2.76516194       1.42157087 
O       5.53280038      10.53599736       9.15244525      -2.58017407       3.69314058      -0.25715436 
O      10.74835159       9.13020177       9.59352101      -0.74765393      -1.12447442      -0.13536968 
O       3.52454695       5.48674869       3.79927206       0.71224232       0.54024340       2.84972646 
O       5.23794243       3.66762815       3.59366362       0.78708440      -1.84924187       0.56152967 
O       5.64389148       3.23829954       0.72503109      -1.96757268       0.42318708       1.19424545 
O       9.05798519       7.14709982       6.09299963       0.22996234      -0.08867103       0.62281424 
O       3.96927553       5.47286372       9.47273444      -2.43991458       2.89281024      -0.59387986 
O       5.15205484       3.50239776       6.27958727       0.07156205       1.23977743      -1.23977446 
O      10.89495624       5.30208575       9.55675445      -0.68622357       1.82332045      -0.13372460 
O       9.09379992      10.78611374       6.23631065      -3.37005939      -0.76827036       0.65462788 
O       1.75382585       3.69806458       6.32966867      -1.16516635      -1.52127676      -0.91240355 
O       7.44343749       1.54183821       1.79024810      -1.69811963      -0.71013774      -0.33087958 
O       9.25850168      10.86706730       0.85475506      -1.42053777       0.03982638       0.67743939 
O       7.27586317       8.97883664       4.21363661       0.81346435      -0.30097573      -1.41843629 
O       6.91556645       1.73247064       4.38806265       0.10278705      -2.11469504      -1.02856073 
O       3.96620709       9.17764191       6.72058777      -2.11350860      -0.29284965       0.70752913 
O       9.38584480       7.35858031       8.62940407      -0.83403119      -0.30416560       1.15775988 
O       7.25315127       1.67291196       9.74533991      -0.39585933       2.52867275      -1.44685315 
O       7.23854988       9.20555331       9.46091680       2.24113994      -3.87059200      -0.54665228 
O       5.05842957       7.41139119       8.94142230       1.91829212      -1.51516889      -0.89813183 
O       9.19949387       7.17589975       3.62881341      -0.06001621      -4.50514376       1.13927610 
O       5.12982413       7.12216736       6.34634599       2.00184484      -0.60920515      -0.70359086 
O       6.94666506       9.06991573       1.56491075       3.95340685       1.57609381      -0.02577113 
O       8.84951979       6.95912937       0.73335646       7.89861957       0.08369004       1.73305643 
O       7.09044119       5.66928168       9.46288539       0.88985969       0.34369861      -0.28640905 
O       3.40076365       9.07006714       9.30936820      -0.09462308       3.54423568       0.89407034 
O       8.89036650       0.01757781       8.96008682       0.22778327       0.98766385      -1.01062384 
O       7.08405954       5.63396753       6.66573969      -0.97994169      -0.63993838       0.39270124 
O       5.32513564       0.28240974       6.13284255       2.15018441      -0.44326154       0.44253344 
O      10.85545471       5.24294757       7.10574649      -1.83240664       0.87990085      -1.99460321 
O      10.84876169       9.07062140       4.06539193      -2.08339021      -1.65514568       2.14874072 
O       1.55663253       7.28293198       3.31933976      -0.15449577      -1.87457734       1.43596535 
O       3.65902287       9.01612341       4.13842007      -0.72104413      -2.25587257      -0.79369567 
O       4.00732605       5.39031617       1.47202392      -0.34633606      -0.78373284      -2.45724686 
O       5.51266960       7.42642348       1.09712421      -2.10456428      -1.13835210      -1.33120060 
O       9.08930686       0.03943042       3.79852580      -0.41948817      -1.33997107      -0.12617635 
O       8.47463856       3.76648458       8.45551756       1.03448407       2.04162980       1.65069289 
O       7.46550430       5.37918641       1.59628724      -4.66692696      -0.49312875      -0.41170806 
O       8.98678981       3.59329180       0.84600154       0.06625132       0.01803156      -0.84561990 
O       9.08887081       3.29511659       3.49475164      -0.82825475       0.49369575       1.10559643 
O       7.56161087       5.26940992       4.13061636      -1.77893302       0.67339892       1.60053066 
O       3.41470089       9.08497968       1.55137153       2.18932994      -0.70246927      -0.97323141 
O       9.08980317       3.21539493       5.94310129      -1.21114645      -0.30839887       1.75847792 
O       6.92170784       2.24371200       7.08438156       2.29360099      -1.46890828      -0.25958416 
O       1.92160582       3.76394213       9.05468322      -0.41734267      -0.92425406      -1.29557119 
O       7.00086998       9.04274956       6.54354976       2.19317080      -0.52047303       1.11682304 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03284484627776189 -0.003446462673536473 -0.0007508907971702192 -0.003446462673536473 -0.003623251553315888 -9.824941767119314e-05 -0.0007508907971702192 -9.824941767119314e-05 -0.01640749581458379" pbc="T T T" energy=-1062.1415775 free_energy=-1062.1415802 config_type=crystal 
Hf       1.69812347       1.70401440       3.02811430       0.27049707      -1.54004344      -3.06271254 
Hf       3.38181186       7.55166228      10.13245638       0.42979755      -2.47243631      -0.84804898 
Hf       5.48610766       5.30235746       2.69392526      -1.51504928       1.19024338      -0.29057881 
Hf       9.05617909       5.57046820       7.84331118      -0.93645179      -1.75356659      -2.54412823 
Hf       0.02759816       7.25498092       4.94800432      -2.30017192      -2.64233814       1.93889798 
Hf      10.80261775      10.90024010      10.62231106       2.66530844       1.31005480       0.32913725 
Hf       7.11168466       3.31848136       5.37247174       1.27059318       1.25086069      -1.66771737 
Hf       7.25557397       6.95433579       5.07813432       0.69280718       1.42651530       2.35825834 
Hf       1.90107329       5.30353370       2.22278527       1.41228276       0.15809462       0.17845592 
Hf      10.70903138       3.48815989       5.28117468      -4.51576583       0.57454507       0.03010902 
Hf      10.85993834       3.48953640       0.05932810       1.01188010       1.93045483       1.25638940 
Hf       1.51588947       5.47723911       7.94862321       3.06954111      -0.30880539       1.32610867 
Hf       9.31052088       9.34135095       8.18666051      -2.98712638      -1.00545286      -1.99997431 
Hf       1.60493020       1.66448406       8.06538288       1.08688350       0.05134113      -1.73366172 
Hf       7.21391181       7.24112925      10.48665027       3.28582229       0.87047596      -2.61633491 
Hf       8.98163458       8.92121673       2.64938730      -2.78064785       1.05570374       3.98707069 
Hf       5.53087037       8.85831669       2.36360049      -0.91524524      -0.44326209       1.12899536 
Hf       5.43432478       9.00335770       7.91825807       0.26464276      -0.23318783       0.84077765 
Hf      10.76771106      10.94428705       5.42447709       0.30155705      -1.90736915      -2.92351011 
Hf       3.35041338       3.83094234       5.05422077       0.50739215       0.38643313       0.07992669 
Hf      10.89179620       7.17253351       0.00933109      -3.29089896      -0.94552711      -1.93211926 
Hf       1.73073159       9.18453904       7.47816932       1.08104622       1.07732456       1.30442647 
Hf       7.46254344       3.66745099      10.42035464      -1.77242710       0.54079590       0.15264999 
Hf       8.97524734       5.12774775       2.70509485       0.84244578       0.94939324       0.40527051 
Hf       3.48041202       7.30952811       5.28708600       2.81691170      -0.56743900      -1.55563459 
Hf       3.70621343       0.00582848       0.04906431      -0.66101168       1.40449595      -2.32020430 
Hf       7.18869055      10.56455034       5.51921645       2.37670908       2.62474860      -0.83760240 
Hf       5.43151873       1.61297574       2.53873761      -1.39805749       2.19819803      -0.95904957 
Hf       5.09868586       1.63505394       7.71660489      -0.81818264       1.56981588       4.86368120 
Hf       1.87443257       8.87480996       2.35960707      -0.85842538       2.72049946       0.63529078 
Hf       3.89115542      10.92324967       5.06177735      -2.31648105      -0.79358808       1.74324038 
Hf       3.61758037       3.75733281      10.27699728       1.29103504      -2.62996090      -0.69731690 
Hf       7.52100640       0.05873292       0.12351982      -3.69003324      -0.92072726      -1.02088737 
Hf       8.94914566       1.58220975       2.58324410       2.54446479       0.05410101       6.11736623 
Hf       5.26609453       5.35433831       7.44870733      -0.54720649       1.30073614       5.70234304 
Hf       8.88629218       2.00502130       7.97880457       1.03781838      -0.64182239      -3.18937144 
O      10.63996498       8.88148315       1.97148510       5.63974311      -0.75776433      -3.18052099 
O       5.33769571       7.21243921       3.68091709       1.49651938      -1.12787783      -1.37734915 
O      10.48772018       5.47295958       4.09444992       0.67033465      -2.24554126       0.92178781 
O      10.84661113       1.66282334       4.09167288       0.66152805       1.39565421       2.10363009 
O       1.51264967      10.80160399       3.52609815       0.84835636      -2.81842167       0.96907056 
O       1.65044416      10.45178746       0.65773868      -0.73709582       0.22666187       0.75664782 
O       1.90504297       3.83301456       0.70146085      -1.31765350      -0.57111336       0.08952118 
O       0.51102126       1.85536365       9.79922894      -0.66403772      -0.34523915       0.21538777 
O       1.48345116      10.75099166       8.72366884      -0.53260556      -1.31767200       2.13362773 
O       1.56036075      10.94922218       6.42880099       0.03935614       0.76304508      -2.60383645 
O      10.68764023       2.11635189       7.09044668       2.82256543      -0.52981863      -0.36047390 
O       1.93031682       3.59550601       3.33959842      -0.24410131       1.83475303      -0.19267495 
O       1.72472343       7.18734296       0.71660070       2.58810037       0.31504493       2.09270929 
O       1.36719847       7.42678108       8.81164678       2.46334207       1.88603593      -0.03855577 
O      10.69304888       1.87126311       1.63600218       3.08923926      -0.41394290      -1.13163024 
O       3.20621029       5.43329514       6.68245634       0.01526225       1.92603341      -0.89725885 
O       3.58180772       1.26536399       6.64497402      -1.22549613       0.73849771      -0.69357832 
O       5.46400809       3.55505218       8.60274537      -0.51506789      -0.08193935      -0.08497535 
O       0.03556460       5.46720166       1.60317749      -0.98073990      -0.71800631      -0.09978756 
O       1.69997810       7.70316689       5.97797451      -1.74019353      -1.00782756       1.00474734 
O      10.73831808       9.32038369       6.89346962       0.68380368      -0.90479011       0.01663392 
O       3.73723107       1.94430216       4.27646059      -2.13416786      -2.45423645      -0.59967792 
O       5.35068383       0.01562369       3.77149487       0.74360253      -2.22056403       0.10130697 
O       5.44281152      10.68441697       1.02747535       2.62198735      -1.04701251       0.39172887 
O       3.60909210       0.95380055       1.77565938      -2.70970248       1.41206801       2.01573724 
O       3.30534522       1.84711433       9.27812765      -0.55211760      -0.66369922       1.59255468 
O       5.15434793       0.30151098       9.09441368       1.30982229      -2.64086722       0.72652156 
O      10.33436007       9.15368837       9.77515776       1.97183875      -1.62861602       3.55728719 
O       3.38119624       5.55804202       4.07603400      -0.30151671       0.54017372      -1.40503888 
O       5.18827296       3.53949280       3.46912576       0.43811204      -0.78317667      -0.54368999 
O       5.05507287       2.56427514       0.55464343       1.55284155       1.41637760       0.94393937 
O       9.10132263       6.94389954       6.03728146      -1.09182738      -1.24513037       1.60773001 
O       3.65101710       5.41211511       9.31190991      -1.08562822       3.30091915      -0.70399069 
O       5.16839166       4.27660711       5.96389077       0.39124468      -4.30476478      -3.53482940 
O       0.28055950       5.43723919       9.64101914      -0.34148804      -2.11691574       0.72738042 
O       9.16180633       0.37062581       6.28152546      -4.08393185       0.41863558       2.05952540 
O       1.50864065       3.52322139       5.75907855       3.10972642      -0.32591708       0.37651794 
O       7.33029827       1.47689115       1.68561740      -3.54256024       0.69457246      -2.80688303 
O       9.08042965      10.85646540       1.33956883       1.38904837      -0.39566214      -2.85840792 
O       6.99815037       8.94880175       4.53989483      -0.66589404      -0.77852320      -2.66047232 
O       7.30165228       1.59274570       4.26377137      -0.40472721       0.31752577      -0.99734289 
O       3.56149541       9.08806401       6.41198018      -0.08018948       0.15657734       1.24506755 
O       9.39296171       7.06370505       8.88905640      -0.56343683       3.86172697       0.80659964 
O       7.40603776       1.79193159       9.30082546       0.00735237      -0.10782715       2.63851677 
O       7.34056985       9.40259028       9.53642458      -0.38950265      -1.61934095      -0.54219143 
O       5.28581697       7.13353454       8.88608921       0.75618606       2.32249476       0.89839518 
O       8.58767501       7.09705577       3.57557115      -0.64113328      -1.06626707      -2.90065079 
O       5.36099595       7.17797185       6.29634091       0.27360355       0.59260780       0.17920813 
O       7.34736531       9.02659767       1.34814920      -0.23481702       0.34288310       1.27066503 
O       9.03089889       6.79425340       0.80423404      -1.96487972       0.30763803       0.55535354 
O       7.28091169       5.45162814       9.39027434       0.84967764      -0.88435115       2.69290978 
O       3.68821798       9.25870305       9.16563319      -0.15633882      -1.19991424      -0.54124743 
O       9.54904461       0.27683391       8.95617694      -1.38400443       0.54915857       0.55664695 
O       7.25718154       5.15509458       7.02684742      -0.94981163       1.20579117      -1.54236940 
O       5.41614056      10.43756909       6.61108579       0.64830337       2.04266063      -2.91039608 
O      10.87483554       5.33540174       7.00052034      -1.22927213      -0.58466333      -2.52958715 
O      10.02781458       8.76034704       4.53718497       1.04513203       3.05444844      -0.51159717 
O       1.36679661       7.32978575       3.45921879       1.06863167      -1.32047582      -1.27671875 
O       3.59214438       8.76363614       3.77296773      -1.04072694       2.10617193      -0.74583450 
O       3.88897945       5.27602340       1.23721985      -0.24551841       0.36811793       1.80075548 
O       5.85111228       7.16037728       1.08998928      -3.14273693      -0.15145229       2.01963830 
O       9.01099885      10.67633265       3.78821206      -0.52783947       1.42650935      -0.98581840 
O       9.39721231       3.57197493       9.16007061      -1.44861238       0.64922982       0.62810368 
O       7.02329417       4.57735172       1.64560453      -0.04547038       0.93573186      -0.86636560 
O       9.12089597       3.59691802       1.21825421      -0.48372436      -0.04224734      -1.85344262 
O       8.90383942       3.42354786       3.90346741       0.31698939       0.42254434      -1.23604720 
O       7.01556603       5.17239180       4.30425904       0.23520887      -0.52945952      -1.45991154 
O       3.40192872       8.97786407       1.07394651       3.64477734      -1.40358935       0.13722162 
O       8.92926095       3.54697936       6.48206897      -1.42332199      -0.90161286      -0.44995489 
O       6.54326689       1.72119779       6.47520455       2.63242099       0.40097228       0.42931741 
O       2.13787288       3.64481447       8.13334492      -0.82356783      -0.44530304       1.92108782 
O       7.63155507       9.18813644       6.98376872      -1.24391664      -0.04340146       0.78302027 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.006895715120648452 4.566377954227604e-05 -0.0125580907552836 4.566377954227604e-05 -0.009777395286281286 0.0012144268957241797 -0.0125580907552836 0.0012144268957241797 -0.0021255315586240268" pbc="T T T" energy=-1061.8851335 free_energy=-1061.88515752 config_type=crystal 
Hf       1.65123288       1.67048104       2.90263768      -2.43020056       0.07702186       3.00073783 
Hf       3.36267819       7.46881432       9.95378268       1.26643066       3.55150718       4.99983921 
Hf       5.47580880       5.37495619       2.66353301      -1.56446057      -0.36578016      -3.43460430 
Hf       9.17311664       5.45334473       7.86066260      -2.76758384       2.14259305      -0.67668463 
Hf      10.95384846       7.15373335       5.00839096      -2.18887445      -0.51636119      -2.13912110 
Hf      10.93571957      10.92825733      10.54468971       1.49846726      -0.76588654       1.89410547 
Hf       7.18575500       3.30270000       5.32638460      -1.98038115       0.93430606      -1.79051297 
Hf       7.23025005       6.94183050       5.10194647       0.19528357      -0.26863246      -0.65361503 
Hf       1.78434445       5.37452847       2.23642940       2.46784968       1.32265013      -0.22209470 
Hf      10.45288941       3.49932569       5.36103036       3.40298869       0.90282832       0.21569874 
Hf      10.86730592       3.34175880       0.02117573       0.97319548       1.60467258       0.11613192 
Hf       1.48103394       5.49842374       8.00128990       1.69139507      -0.98369029       0.54674921 
Hf       9.24061448       9.27303471       8.29034163      -1.46017594       0.31904997       0.13371679 
Hf       1.60862730       1.63076587       7.96904046       3.40200774       0.24912264      -0.71495320 
Hf       7.24044822       7.17345513      10.32718264      -2.98001307      -0.20054369       3.57273904 
Hf       9.00361911       8.98511519       2.60823107       2.41757940       0.80183003       1.05446085 
Hf       5.56708291       8.73584735       2.36309126       1.33864271      -0.76565246       2.45294041 
Hf       5.38148892       9.04148918       7.96263744       0.22850705       4.81101006      -0.60579269 
Hf      10.76095548      10.90777804       5.46344981      -0.94364469      -0.03751950      -3.22522378 
Hf       3.36632796       3.90118662       5.04144567      -0.86020737      -0.95589160      -1.55083575 
Hf      10.88407912       7.22408259       0.09449681      -0.91369647      -1.52530479       2.03488983 
Hf       1.74087323       9.21849147       7.49923579       1.30356812       0.33493036       1.25217035 
Hf       7.50498577       3.58651628      10.51132974      -3.48874439       0.63196671       1.33320069 
Hf       8.96933559       5.20658230       2.69236258       1.23631320      -1.79804071      -2.44053692 
Hf       3.54995611       7.38785145       5.27429655       0.52641324      -0.54003630      -1.49509083 
Hf       3.63690369       0.06342691       0.15198216       1.46815579      -1.56605342      -1.62506843 
Hf       7.17833012      10.61274929       5.58842240       0.83094212       0.69235683      -3.86125531 
Hf       5.34635785       1.65049839       2.51174260       0.57796903       1.25133813       0.77683799 
Hf       5.11620396       1.74158680       7.81055367       0.77635974      -2.43224290      -0.34273099 
Hf       2.06783270       8.88656882       2.25973178      -0.81635933       0.26286446       2.84180627 
Hf       3.87280982      10.95439714       5.06337308      -1.53326486      -0.41912614      -0.82913645 
Hf       3.61124956       3.65698856      10.19188067      -1.40676592       2.63812158       2.37037619 
Hf       7.51409974       0.10447477       0.04830732      -0.95396842      -1.45221576       0.56410163 
Hf       8.88135968       1.63622338       2.76255044      -0.55796426      -0.51581801      -0.37856294 
Hf       5.33385596       5.31397663       7.57100471       0.69271988       1.01949094      -0.14836998 
Hf       8.97021678       1.94989640       7.98373484      -2.21536488      -0.06502065      -2.42337277 
O       0.08302621       8.47979182       1.82482828      -2.79762470       1.24046691      -0.09898415 
O       5.43102867       7.06076961       3.64340139      -0.06142148       1.08893443       0.79631824 
O      10.55256710       5.20687351       4.37156548      -0.44545734       2.16775341      -0.77126170 
O      10.84606443       1.80190056       4.46830671      -0.13695620      -2.49028885      -1.98276648 
O       1.52585932      10.68419884       3.67752750      -1.65259839       1.17992969      -0.20570703 
O       1.78740062      10.17962103       0.78456327      -0.27850230       1.74293021      -1.40829345 
O       1.71847051       3.96957354       0.50470010       1.64680331      -1.00028278       1.83691065 
O       0.67574559       1.74378391       9.78303523      -1.57258577       0.11584695      -0.73134207 
O       1.53523875      10.61972169       8.92756846      -1.40960204       0.20756318      -0.99794634 
O       1.54692716       0.38717113       6.29138971      -0.07395487      -3.35946727       0.41849403 
O      10.89067058       2.06980752       7.12311682      -3.54446316       0.35328226       0.91809807 
O       1.47575523       3.80640210       3.32003660       1.36640631      -2.55605847      -0.34642264 
O       2.04883796       7.39036870       0.95925885      -0.27091385      -2.10985622      -3.02992485 
O       1.63226827       7.52596991       8.83412456      -0.99553350      -0.80704830      -0.07721630 
O      10.81247092       1.63121463       1.40109660       0.69268301       0.47682691       1.81957846 
O       3.22881000       5.70794234       6.68437168       1.15251394      -1.07086380       0.01018692 
O       3.57563719       1.53636010       6.52528978       1.20073939       1.20105109       3.17153190 
O       5.79652707       3.55048484       8.52504929      -2.41004886       0.42733358       0.77784173 
O      10.83545519       5.76766196       1.68122092       0.00053199      -1.23363115      -0.32370305 
O       1.46060352       7.47581674       6.23624231       1.76108451       0.29481738       0.03620092 
O      10.67545891       9.30470500       6.91721141       0.86769695       1.14197150       0.24976961 
O       3.46336109       1.68181480       4.10035411      -0.39215757       2.27737971       0.26502086 
O       5.44846394      10.85777212       3.67936068      -0.43448906       0.97531132      -0.42886467 
O       5.78354586       0.01595325       0.82674392      -3.83437469      -0.06316938       2.47362868 
O       3.13556721       1.03288052       1.96791152       3.97359494      -0.56806822      -4.99969302 
O       3.26522523       1.60843984       9.46701264       1.21139216       0.95026079       0.64484789 
O       5.18365183       0.02510535       9.14383183       1.21052758       0.36255725      -2.28384773 
O      10.27976676       9.01194479      10.20658101      -0.14745749       2.90089247      -2.20611578 
O       3.36182976       5.81280813       3.91236930      -0.05918612      -1.92337161       1.88520935 
O       5.04678543       3.56731019       3.45384189      -0.68368889      -1.13712338      -0.61410911 
O       5.10612323       2.98406173       0.63829622       0.08984115      -0.92074553       0.22971587 
O       9.01011678       6.70965522       6.17140063       0.79753938       1.25757619      -1.64534049 
O       3.63854008       5.76229944       9.42879766       0.53100499      -6.19841756      -2.95227642 
O       5.23629727       3.71811833       5.94398733      -1.05946983       1.63696224       1.67362566 
O       0.26749304       5.20348263       9.73685170      -0.92307618       2.33088708      -2.79835681 
O       8.74652211       0.72168322       6.13904266       4.07884097      -1.09791162       1.08470202 
O       1.59688422       3.31582343       5.75206022       1.33259085       1.24072590       0.83047601 
O       7.25115114       1.83563091       1.29086176       2.06006498      -0.21196552       3.10806776 
O       9.22313823      10.72037183       1.22166846      -0.64915485       0.80224677      -0.87527328 
O       6.89470360       8.84266539       4.09986305       2.49568585       0.39759512       2.98854577 
O       7.05695495       1.82509167       4.01212108      -0.13742245       0.13850119      -1.11712007 
O       3.56754520       9.16112421       6.54581831      -0.73841037      -1.07539853      -0.50748662 
O       9.45236076       7.46354186       8.63867989       0.32021868      -5.75532754       0.08680858 
O       7.36307336       1.70696419       9.60672627       1.04476426       1.05694974      -2.86095058 
O       7.26696591       8.85336228       9.40354741       0.74986680       4.25283595      -0.40481071 
O       5.44358764       7.38460508       8.73980941      -0.65694182      -4.17302289       1.21204192 
O       8.76197960       7.00767968       3.08711014      -0.76781196       2.98181289       2.96668804 
O       5.44854501       7.07965939       6.18037745      -1.12034902       0.88174194      -0.00218215 
O       7.34056284       8.94352797       1.56386252      -0.04057292       0.22600638      -1.73740385 
O       8.84828231       6.77581182       0.59848838       2.63034218       0.58588056       0.07563192 
O       7.33260265       5.42273049       9.51310423       0.14044373      -1.29541245      -1.81155936 
O       3.60021972       9.22017683       8.99167111      -0.46878907      -0.46829525       0.39295281 
O       9.41163315       0.33887872       8.98978457       0.64149060      -2.42841668       1.54938259 
O       7.19805102       5.46578132       6.80527592      -0.87781014      -0.81321507       1.08847405 
O       5.37992145      10.70928874       6.38550674       0.72137694      -0.23791937       0.99135954 
O      10.87604169       5.22364485       6.78016215       0.62524497      -0.32759414       2.21390488 
O      10.25410879       9.01640870       4.39408483       0.31211778      -0.38038001       0.93340884 
O       1.34827669       7.16266391       3.35834862       0.33763929       0.47297253       2.76245604 
O       3.52125654       9.29391783       3.90969738      -0.03062710      -3.62224268      -0.22086364 
O       3.79214660       5.33314525       1.33692806      -1.26127227      -1.98875622       0.61098015 
O       5.49655212       6.97921961       1.07373255       2.96147535       0.60847244      -0.98468339 
O       8.70521963      10.88613446       3.71239508       0.28613473      -0.55685797      -0.17918367 
O       9.11539967       3.61592317       9.20178986       1.43304927      -0.45484025      -2.16188576 
O       7.20465180       4.89628055       1.65819872      -1.01220294      -0.68084258      -0.76469213 
O       9.12828864       3.68702717       0.92294817       1.58936547      -0.45062582       2.58814097 
O       9.04867588       3.42938730       3.81430668      -0.82249615      -1.44788786      -0.28403346 
O       7.17990767       5.06943487       4.12239951       0.02619064       1.65281993       1.30760032 
O       4.12578276       8.85641166       1.14055675      -4.26640754       2.60046211      -1.81464746 
O       8.75269822       3.45533440       6.54854593       1.50055566       1.43444263       0.43430271 
O       6.87204900       1.78431059       6.64854356      -1.64418913      -0.36305824       2.40253664 
O       2.09502330       3.60767736       8.70310417       0.04609235       1.34172429      -2.58621802 
O       7.65366154       9.32355534       7.04025686      -1.37826039      -0.04047313      -1.28046658 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0052917786902711 -0.0014650822384537944 -0.013112012594161055 -0.0014650822384537944 -0.02003192859222628 0.004745562400107642 -0.013112012594161055 0.004745562400107642 -0.014205249480319967" pbc="T T T" energy=-1060.30330802 free_energy=-1060.3033137 config_type=crystal 
Hf       1.62928845       1.65851972       2.87341017      -2.50623503      -0.28199983       1.76684522 
Hf       3.36086322       7.45476029       9.92169798       5.08101455      -1.55992028       2.45478848 
Hf       5.45545672       5.39943507       2.64173931      -0.67697272      -1.60722332      -5.68220755 
Hf       9.18998121       5.42767833       7.85845156      -2.06372267       1.35748951       0.22431021 
Hf      10.92970374       7.11808482       5.02073623      -1.80359447      -0.01982781      -1.68033064 
Hf       0.02668542      10.94102819      10.53242980      -0.02996069      -0.29092487       1.44829371 
Hf       7.19984704       3.30490501       5.30192079      -2.89890835       0.49852127      -1.21986876 
Hf       7.22631564       6.94649612       5.11365165       0.20675036      -0.39231195      -0.51853797 
Hf       1.76362589       5.40571363       2.24224431       2.10742837      -0.45250352       0.20781479 
Hf      10.38717149       3.51315359       5.38722872       4.56659010      -1.94906054       0.33969293 
Hf      10.87896354       3.30563435       0.01032660       1.21170414       2.78316336       0.15696339 
Hf       1.48285538       5.50215886       8.02263272       2.27562456      -1.70052230       0.24743158 
Hf       9.20898987       9.24466645       8.31976036      -1.50867962      -0.03454817       0.84340545 
Hf       1.62836727       1.61827647       7.93260148       3.80767051       1.69869094      -0.40897601 
Hf       7.23840592       7.15132062      10.29337987      -5.04430139       0.36506766       1.08391485 
Hf       9.02704194       9.01109285       2.60927144       1.78180401       1.94832961       0.18027050 
Hf       5.57187813       8.69004469       2.38289882       3.00335218       0.41788671      -0.02675380 
Hf       5.36506325       9.07782475       7.97270927       1.04198878       2.09298785      -0.08244663 
Hf      10.74336880      10.89092103       5.45046585       1.14023811       0.02843702      -2.15000498 
Hf       3.37899551       3.92298402       5.02358384      -2.02160512      -1.26195850      -0.03394741 
Hf      10.87477715       7.23476162       0.12782595      -1.87084373      -2.21191067       0.53300854 
Hf       1.75352391       9.23441360       7.51532735       0.58585869       0.19938170       1.42953699 
Hf       7.49678126       3.56534995      10.54581755      -2.02972027       0.51228978       1.14649941 
Hf       8.97783022       5.22730174       2.67856476      -0.02461361      -0.75535343      -2.81128779 
Hf       3.57973013       7.41018778       5.25946357      -0.53596844      -1.37180150      -0.57132001 
Hf       3.62199948       0.07651868       0.17260678       3.71656354      -2.38732357      -2.70323917 
Hf       7.18451171      10.63648656       5.57860270       0.85909338       0.33729273      -1.76230812 
Hf       5.31538919       1.67442871       2.50897768       1.24153078       1.06686950      -1.39480731 
Hf       5.12580941       1.76795460       7.84558186       1.48221224      -1.62069344      -0.38075800 
Hf       2.12360641       8.89554945       2.24200176      -1.30298171      -1.77559351       3.95213315 
Hf       3.85918110       0.00532757       5.05775045      -2.66395991      -0.39668722      -0.62809714 
Hf       3.60410712       3.63707811      10.17431615      -1.31483984       2.76922508       3.00845398 
Hf       7.49910931       0.11203518       0.02756004      -1.66194290      -2.14701944       0.81790613 
Hf       8.85820647       1.64658502       2.83053948       0.34365593       1.43362338      -4.92916171 
Hf       5.35828204       5.30587751       7.61579457      -0.65377433       2.26824075       0.07041556 
Hf       8.98506644       1.92772222       7.96651033      -2.10703958       0.03884265       0.27778897 
O       0.03202439       8.43380029       1.71231128       0.02817735       1.22597033       2.02928452 
O       5.49230777       7.03353562       3.59557057      -0.56566276       2.16948185       2.04004876 
O      10.56722590       5.14152864       4.44915580      -0.89091875       3.23019811      -2.28081516 
O      10.87367475       1.69147712       4.47134023      -0.95016618       0.38332772      -1.39846671 
O       1.44341213      10.68495984       3.73757263      -0.79462091       0.52099183      -1.25767938 
O       2.00747960      10.12517015       0.86629815      -3.48549969       2.03366662      -3.00672677 
O       1.73082987       3.91619492       0.54556765       0.52510119      -0.25966395       1.42324467 
O       0.64211714       1.78445467       9.71070882      -1.99209094      -1.36895775      -0.09512260 
O       1.44270394      10.65595515       8.96737268      -0.25072257      -1.00022586      -1.22219151 
O       1.62573093       0.36491927       6.30208939      -0.43441089      -3.79003698       0.05889050 
O      10.90415161       2.03883009       7.20894377      -4.15483112       0.55327573      -0.21421781 
O       1.40127569       3.74163199       3.20974808       1.39221807      -1.64042458       0.52300958 
O       2.25240657       7.36496207       0.85602735      -3.16334493      -1.21528798       1.24238942 
O       1.74337799       7.58040907       8.86462767      -3.34918749      -1.59652421      -1.19795359 
O      10.95233018       1.61352452       1.42712628       0.14355567      -0.38242718       0.91523019 
O       3.30721366       5.78160588       6.66638380       1.05455994      -1.77118891      -0.14548177 
O       3.55433380       1.71432323       6.64887933       1.29557678      -0.27310533       1.97299809 
O       5.73592856       3.61330096       8.56827159      -2.13070963      -1.25858161       0.86065618 
O      10.72823013       5.74382258       1.69879342       1.52541322      -0.33807255      -0.49160979 
O       1.44252590       7.29262092       6.22170535       1.76627532       1.78267957       1.21696660 
O      10.68313096       9.36547070       6.97749336       0.92491200       0.59538529       0.00670031 
O       3.22696008       1.61563618       4.09262672       2.17756197       2.31263668       0.52604736 
O       5.45618178      10.77244493       3.65103408      -0.82330818       1.82225330       0.35116625 
O       5.71377071       0.08014128       0.87502552      -2.31712284       1.00511144       2.03268758 
O       3.12364204       1.03823471       1.73803335       2.23416847       1.98164112       0.19064335 
O       3.20973999       1.64693013       9.60215623       2.01250298      -0.04397651      -0.84833352 
O       5.35216278      10.77360550       9.08064115       0.09772150       2.10660929      -1.29909873 
O      10.25635105       8.99903501      10.25885645       0.07585756       2.70769777      -3.54071127 
O       3.32291722       5.74850978       3.93982092       0.83605024      -1.48837976       1.83934768 
O       5.05884689       3.63004830       3.32957432      -1.62180560      -2.72319535       1.45947923 
O       5.14607790       3.10440813       0.69461642       0.53652576      -1.39132440      -0.01746289 
O       8.99363994       6.68009572       6.15595233       1.39715351       1.60953151      -2.39475269 
O       3.63162323       5.55150490       9.27306219       0.21180954      -0.45358101      -0.60409920 
O       5.19707490       3.56745405       6.00054753       0.13071382       1.67072566       0.31855996 
O       0.18892910       5.18468619       9.61081185      -0.59638830       2.32071945      -1.42908642 
O       8.83269718       0.83344669       6.27050670       2.08243765      -3.74277551      -2.68053772 
O       1.57169890       3.25918014       5.91498514       1.91000667       1.85436703      -0.90103391 
O       7.39949998       1.95601774       1.25855566       0.43018554      -2.04826897       3.69619298 
O       9.17487705      10.71407914       1.05257371       0.97082936       1.00096555       0.60037810 
O       6.99212512       8.84985209       4.05622091       1.84907016       0.59875469       3.37165758 
O       6.98885311       1.92961586       3.79555181      -0.36753810       0.06033532       1.70167141 
O       3.55789515       9.16337358       6.61887642      -0.57580507      -1.00558559      -1.98263464 
O       9.46196643       7.38807441       8.56557533       0.47723087      -4.20997972       0.40642350 
O       7.45464745       1.69230890       9.64316142      -0.12768935       2.08837452      -3.81634235 
O       7.26850851       8.88664672       9.36086368       1.11529022       2.89187246       0.49884201 
O       5.48048822       7.33874688       8.77275335      -0.96243321      -2.70644221       0.15534450 
O       8.73550891       7.15437110       3.04786224      -0.17313222      -1.57845561       3.05738289 
O       5.39353132       7.11670875       6.17342269      -0.01976252       1.11594760      -0.74762970 
O       7.45330884       8.94026823       1.49464669      -2.74839174       0.27163071      -0.75792699 
O       8.76135160       6.81721378       0.53403784       6.18916114      -0.03637930       1.63480240 
O       7.38727473       5.31307933       9.55022325      -0.35289653       1.05459541      -2.48573509 
O       3.57381937       9.10746829       8.95912479      -0.46635806       1.71256328       0.32740289 
O       9.29803663       0.27534707       9.01912231       1.55814996      -2.22536356       1.34112958 
O       7.17925272       5.55447956       6.76311142      -1.25624402      -1.53051936       1.17413796 
O       5.31273959      10.75589666       6.37366295       2.49133923       0.17875120       0.56021869 
O      10.94591675       5.13378899       6.75970355      -0.87831894       0.10719341       2.48231850 
O      10.37442912       9.11759218       4.39092514      -0.62041926      -0.94910514       0.79446835 
O       1.41524524       7.09937110       3.52102748      -0.29866343       1.28744796       0.32090795 
O       3.46953458       9.30061742       3.93983496       0.30644022      -3.54760625      -0.45061559 
O       3.67180633       5.20688830       1.46409586       0.04013643      -0.38502792      -0.00302237 
O       5.58050028       6.99275476       0.99250881       1.22588195       0.17177979       0.25740310 
O       8.61170568       0.00525187       3.57619741      -0.19269930      -3.91805518       2.85201186 
O       9.07822311       3.62790662       9.13069800       1.72367421      -0.58783151      -1.14088538 
O       7.24009292       4.95542268       1.57200317      -1.09717776      -0.37823213       0.61023260 
O       9.19378349       3.68308367       0.94328060       0.88946969      -0.08201471       2.01117852 
O       9.02416040       3.36774118       3.70530331       0.32008246       0.71299187       2.25594074 
O       7.22472352       4.99353839       4.04142385      -0.28280454       2.27900878       2.23979869 
O       4.19909319       8.95009050       1.07124323      -3.15284027       1.49369436      -0.47036620 
O       8.69105977       3.49092441       6.60499814       2.00109498       1.98238987      -1.07109115 
O       6.99813207       1.81722538       6.84914436      -2.86029697      -0.34418087       0.59502561 
O       2.07901319       3.61484159       8.80523515      -0.61027484       0.89429682      -3.80213648 
O       7.58860032       9.30234069       7.08977344      -1.22352995       1.06265993      -3.28602677 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003911579434276564 -0.00028408614511721633 -0.008293286662343987 -0.00028408614511721633 0.0033431252962145335 0.0024409004782801535 -0.008293286662343987 0.0024409004782801535 0.0130736353333761" pbc="T T T" energy=-1065.69471622 free_energy=-1065.69473718 config_type=crystal 
Hf       1.57732984       1.74865090       2.80594429       3.88034505       1.99539644       2.74081115 
Hf       3.36390351       7.12415741      10.52045697       0.13680303       2.82575996      -2.24893336 
Hf       5.10445518       5.43821109       2.29065707       1.43216892      -0.30515784      -0.32564176 
Hf       9.03049275       5.05763471       7.84362867       1.70992443      -0.22538152      -1.23963829 
Hf       0.00028781       7.22974257       4.91670617       1.59845225       1.88844048       1.20071490 
Hf      10.65067447      10.56433669      10.51200064       0.65859104       1.03256482       0.11169334 
Hf       7.40783509       3.80780513       4.79552164      -1.64530555      -1.43302495       3.04139915 
Hf       7.18903018       7.28071832       5.13489073      -0.75551942       1.63737108       1.26456119 
Hf       1.54386419       5.52171981       2.44464013       0.54640895      -0.23764478       1.38915616 
Hf       0.01964696       3.84267260       5.27487679       3.65018055      -0.96909942       0.17707589 
Hf       0.28567934       3.40046784       0.27694529      -3.70170802      -0.62930074      -4.09590193 
Hf       1.85235864       5.19624334       8.08949158      -2.48300377       1.42999477      -1.86520387 
Hf       9.18875951       8.81779001       7.74035646      -0.27589898       3.49059532      -2.61154169 
Hf       1.70344458       1.46384606       8.07269298       1.94687736       2.89997424       2.07795866 
Hf       7.24459759       7.04633343      10.22339396      -4.49735133       0.17615076       0.84486672 
Hf       8.95749665       9.21283379       2.58717906      -3.87489166       3.44952932       1.39231697 
Hf       5.35668509       9.12318643       2.56839719       0.06985959       0.51606500       0.19247125 
Hf       5.70282523       8.96692702       7.94807156      -4.42377916       2.43180774      -0.80622817 
Hf      10.95458273       0.10034644       5.67243955       1.72074246       0.56198791      -3.86387463 
Hf       3.65498197       3.88426048       5.40191332      -2.03879775      -2.57979277       0.46914046 
Hf      10.59384832       7.20567859      10.41009383       2.35144945      -1.76228429       0.60727182 
Hf       1.90793207       9.21267668       7.64350777       3.90358509      -4.40800960       4.45735856 
Hf       7.24939807       3.41044339      10.53204481       0.86094921      -1.33880064      -0.28486985 
Hf       8.83685882       5.51819767       2.29629394       0.82397244      -0.37946232       0.20590615 
Hf       3.66394945       7.17244630       5.19569201      -2.55070913       1.24749977      -0.17329422 
Hf       3.49879564      10.68171917       0.31186793      -2.63911164       0.99007482      -4.10012971 
Hf       7.46086936      10.93142416       5.24715402      -0.76244784       0.71157934      -0.51337698 
Hf       5.06295451       2.02459233       2.74552448       1.00984271      -0.23187181      -0.00710809 
Hf       5.47057556       1.66287637       7.48907117       1.91441895       0.42363181       1.63105237 
Hf       1.73683134       9.07260433       2.54177261      -0.32753361      -1.72671901       2.94637163 
Hf       3.52800609       0.03856139       5.19323788       1.16154366      -1.81190627      -0.81028139 
Hf       3.50210819       3.41795734      10.41371534       1.10156849      -0.56501249       1.54763112 
Hf       7.08080517      10.84041639      10.62733008      -2.56687968       0.73366622      -2.02271618 
Hf       8.92888242       1.80139166       2.53917882      -0.63674498      -1.98485154      -1.86458536 
Hf       5.44717091       5.31294797       7.90539539       0.10595005      -0.46132626      -1.47911934 
Hf       8.99950283       1.46201159       7.89913660      -0.51809793       0.91446390       2.69763999 
O      10.40510876       8.95730327       1.49698868       3.95727467       1.09360787      -3.80864264 
O       5.04412673       6.94183390       3.49543668       2.73253447       5.04526151       0.97737280 
O      10.92260776       5.52108195       3.91019269      -1.11282259      -1.48761796       0.18783660 
O      10.71567883       1.81797268       4.53840209       0.27805945       0.82439181      -0.41292984 
O       1.86941790       0.23062128       4.02627912      -0.68450172      -0.51001726      -0.49110704 
O       1.63823545      10.60785645       1.21070539      -0.39474633      -0.82756793      -0.02752114 
O       1.89914602       3.64074388       1.28752680       0.77852014       0.14450462      -0.00533826 
O       0.15197780       1.49320792      10.02079215      -0.47967750      -1.27673314      -1.16654449 
O       2.13624361      10.61082793       9.12571173      -1.39707870      -0.22412633      -0.97088414 
O       1.85008757      10.93854797       6.61782426       1.43262512       2.66746957      -1.85340811 
O      10.85627093       1.51417979       7.18009071       0.44615037      -0.17639393       0.10213778 
O       1.76246871       3.59308024       3.97644676      -0.92877591       0.06409325      -2.22012565 
O       1.44880577       7.37432923       0.91784731       0.65558186      -0.54866239       0.52594251 
O       2.10841931       7.36084721       8.76315855      -0.32879469      -3.13678752       0.42252785 
O       0.00968456       1.57776447       1.87934718      -3.61470082       0.96974065      -1.46257638 
O       3.47243726       5.44116100       6.71486299       1.66614537       0.19111925       2.61932635 
O       3.63887851       2.33607689       7.17106669       0.30470380      -2.53063201       0.71373956 
O       5.30905706       3.59384278       9.11857701       0.69630434      -0.69764439      -0.06066441 
O      10.75597335       5.08502953       1.35508887       0.04354253       2.34835047       1.94247014 
O       1.73541649       7.08408978       5.96301409      -0.87602465       1.12954009       1.05000210 
O       0.17906026       9.35116381       6.80536627      -4.23004176      -1.92601520       0.35725844 
O       3.81540487       2.10585703       4.43715779       0.32828042      -1.31184723      -0.67179346 
O       4.61542448       0.06097124       3.43171317       1.80258356      -1.52301759      -0.16535651 
O       5.20927616      10.65822304       1.13331500       3.05312601       1.06488409      -0.86781738 
O       3.32023366       1.61186721       1.51931351       1.01440372      -0.28635534       1.57207599 
O       2.86645082       1.70083354       9.78817510       2.06191185       0.38041954       0.24754787 
O       5.52219398      10.92859050       8.89863313       0.08481661       0.98300117      -0.58911345 
O       0.28042780       8.78740814       9.45105798      -2.22672516       2.46675194       0.32687778 
O       3.62490687       5.39903321       4.20092656      -0.93137466      -0.76831608      -1.44328034 
O       5.68312995       3.86438027       3.62069849       0.19442445       0.53826567      -0.46741533 
O       5.00084495       3.63345288       1.30653060      -0.96095478      -1.70029904      -2.38646126 
O       8.97239089       7.94076309       5.72929651       2.64563422      -1.49037966       1.58174124 
O       3.53920597       5.25163545       9.45248332      -0.64467200       0.57694836      -0.31334365 
O       5.55166190       3.67404979       6.15147827       0.55997467       0.27187047       1.46994559 
O      10.90646135       5.39513747       9.47686083       0.29974042       0.31235535       0.51881987 
O       9.13889415      10.90540366       6.34846850      -1.48066988      -0.29537054       0.06713387 
O       1.66904832       3.38659448       6.53393052      -0.35176767       1.15935457      -0.78403248 
O       6.91842399       1.81061069       1.36402403       0.06302715       0.29286912       0.44361000 
O       8.80175733       0.23367581       0.77098217       3.41907319      -0.17336987       1.26070866 
O       7.10484505       9.24874920       4.12034131      -1.37041702      -1.07687879      -1.00076110 
O       7.13625009       1.84176912       4.17542536      -0.20317684      -1.48730394      -0.34971466 
O       3.70984162       9.04658054       6.77988749       0.16197288       1.13933889      -1.36597745 
O       9.41576104       7.17966729       8.69398077      -2.40668824      -1.51048046      -0.23883939 
O       7.36534969       1.71785051       9.29393925      -0.62578667      -0.35032850       2.11136862 
O       7.18126884       8.96185177       9.36885988       1.87560505      -0.00450575       1.26588290 
O       5.74242196       7.20311971       8.71472380      -0.05413801      -4.54461496       0.12153733 
O       9.23871493       7.49891988       3.20390032       0.08687649      -3.53472898       0.93032099 
O       5.39951878       7.30053465       6.12171632       1.62547386       0.01750670       0.51194437 
O       7.19659541       9.34565349       1.43299710       0.12434083      -1.46153742       1.41779115 
O       8.75814861       7.02694416       0.76419895       2.67514115      -0.00694845       0.19143488 
O       7.39187263       5.22567061       9.30633627      -0.09781836       0.27424328      -0.34120958 
O       3.95012916       8.82353851       9.17715524       0.33073838       0.11459627       3.68307777 
O       9.10323084      10.59538633       8.91666980       1.17395737      -0.71481574       0.30563940 
O       7.17141578       5.58682178       6.69001005       1.55950197      -0.04161155       0.55191825 
O       5.50012619       0.12392923       6.09755299      -0.26152400       1.28303620       0.12202313 
O       0.06063204       5.33090956       6.80576847      -1.79992400       0.59305022       0.12066232 
O       0.32860068       9.11202993       4.15900866      -0.94622984       1.06302804      -0.73082147 
O       1.79175793       7.20591130       3.63131399      -0.38624902      -0.81850520      -3.26631791 
O       3.30340667       9.02504072       4.28544667       0.73536945       1.03302925      -1.54002493 
O       3.37469276       5.66978894       1.39554752      -1.48752117       0.16824314       0.22872347 
O       5.45082539       7.07824957       0.88662186       0.69417915       0.26879913      -1.61636261 
O       8.95601069       0.09838192       3.64474585      -0.03318033      -1.57955598       0.10128417 
O       9.05543726       3.37143652       8.73020270       0.60132426       0.33501906       0.03241065 
O       7.06711981       5.27722012       1.24527493       0.88730878      -0.99984985       1.15924119 
O       9.14546885       3.36558427       0.81029501      -1.35490003      -0.51566134      -0.38902052 
O       8.73099208       3.52849188       3.26806302       0.61466481       3.38489708       0.42798824 
O       7.91440492       5.72371974       4.18863721      -0.78256425      -1.21324211      -1.39344515 
O       3.73772146       8.82707281       1.38522092      -3.02789618      -0.14262849       0.73683943 
O       9.17922341       3.70632058       5.97703437      -1.93841063       1.15536633       0.90376071 
O       7.53327581       2.02444004       6.85191459      -3.03425517      -1.21880458      -2.24788904 
O       1.30512923       3.44915576       9.01863422       1.71860333       0.63278501       1.14065779 
O       7.28351878       9.23630384       6.64848138       0.09570117      -0.07412784       1.54319632 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0063053101255189665 0.0019266138389029226 -0.0013349698293138397 0.0019266138389029226 0.005932296038157244 -0.001911227551473706 -0.0013349698293138397 -0.001911227551473706 -0.0005295152163538548" pbc="T T T" energy=-1064.276609 free_energy=-1064.27661142 config_type=crystal 
Hf       1.61847269       1.71001774       2.76748432      -1.83320448       1.90317009      -1.34119188 
Hf       3.41383756       7.14037875      10.50925145      -0.80375449       0.82887414      -1.53691308 
Hf       5.08870703       5.39149898       2.29188854       5.31984304       0.39865558       1.95367642 
Hf       9.00462454       4.99726463       7.92682972       1.81059331       2.02171042      -0.84321401 
Hf       0.05964260       7.26522807       4.86791714      -2.41846646      -0.77956725      -0.62307296 
Hf      10.60731752      10.60864232      10.51534793       3.61358842       0.64421780      -0.49052375 
Hf       7.43634643       3.86233972       4.86696319      -1.84477298      -0.37453485       1.02118520 
Hf       7.25365897       7.34683153       5.15615352       0.47969699      -0.61208469      -2.24179018 
Hf       1.51687551       5.42893355       2.45547576       1.92053392      -1.88449788       0.76797601 
Hf       0.01862060       3.70703195       5.34837356      -2.01028838       0.49185866      -1.40258111 
Hf       0.10298728       3.48512376       0.19788211      -1.25390284      -1.32075295      -1.75182603 
Hf       1.75901724       5.07748611       7.94144683      -0.94718093       2.32155628       2.28697521 
Hf       9.12914627       8.87095794       7.67508696       0.49104871      -0.67869674       1.43149216 
Hf       1.82977964       1.52968176       8.22812998      -0.05800600       2.20420466       0.28627868 
Hf       7.16365839       7.04865457      10.22081515       2.05056276       0.01719974       0.89174820 
Hf       8.98176649       9.27643545       2.74229794       0.14568813      -3.66672814      -3.03501618 
Hf       5.35076469       9.04041450       2.49532569       1.23959570       3.59802531      -1.15492124 
Hf       5.75386781       9.03422590       7.85334400      -3.14264579       0.41155385       0.68062024 
Hf       0.08042613       0.13703940       5.60053266      -1.09172214      -0.09189800       0.20434870 
Hf       3.57561659       3.77990995       5.41722099       1.56150060      -2.23689399      -0.15272985 
Hf      10.73461200       7.32130613      10.50243625       0.98423462      -1.74472756      -2.46551941 
Hf       1.96074733       9.38311840       7.70730856      -0.39535788      -2.09603202       0.90877468 
Hf       7.19458378       3.37647048      10.51923846      -0.57734145       1.30756698       0.57914503 
Hf       8.86633648       5.43771797       2.33155352      -2.33216171       2.17115703      -0.10500702 
Hf       3.62969662       7.20910026       5.29549131       0.56180040       1.26908187      -0.78406920 
Hf       3.66333088      10.67630701       0.31750364      -3.86573874       1.51759934      -3.69055445 
Hf       7.36168053      10.88467118       5.35873035      -3.88886432       1.01591192      -4.67423596 
Hf       5.15663017       2.03901623       2.61829727       0.99073348      -0.98455603       1.33492084 
Hf       5.56507774       1.64312446       7.50513361      -2.00589385       1.54408255       2.60385050 
Hf       1.73616763       9.13402169       2.67055028      -0.09325031      -1.18380813      -1.48738108 
Hf       3.55636372       0.06382166       5.03050449       2.52167123      -3.29308130       0.79870068 
Hf       3.47038586       3.48227224      10.44336813      -0.26925807      -1.26958773       0.20547794 
Hf       7.05214252      10.84065698      10.46225799       2.20662575      -0.34222919      -1.24357586 
Hf       8.95593838       1.74074307       2.54679545      -0.83150681       0.69208607      -0.13876870 
Hf       5.43671472       5.30493946       7.80867776       0.95009262      -2.87369227      -0.95133558 
Hf       8.85624973       1.47940347       7.96914951       1.26221790       1.06531849       0.25198333 
O      10.80875333       8.62333854       1.26595812      -1.45620905       2.89020831       2.60799806 
O       5.43144489       7.48997014       3.44055224      -1.64275375      -6.00888331       1.77662968 
O      10.47611307       5.29090932       4.18528312       2.46355324       0.91710805       1.21891712 
O      10.49056995       1.91601070       4.36407193       0.19552230      -0.85505459       0.69382400 
O       1.62319363       0.22363124       4.15126840       1.05004542       0.01706696      -2.39637392 
O       1.60578520      10.31572106       1.04621428      -0.05794851       2.01030134       1.12628048 
O       1.84704728       3.78443806       1.22568484      -0.08517096      -1.31937613      -1.55723447 
O       0.34897665       1.43708636       9.90089075      -1.29361506       1.13092932      -0.41712301 
O       1.82121128      10.71814962       9.11139914       1.15824685      -1.60963571      -1.28066323 
O       2.02800764       0.25648434       6.45264290      -1.38355571      -1.08872426       1.18025855 
O      10.87189692       1.22032913       7.33470641      -1.39389054       1.15099312      -1.00122471 
O       1.66599949       3.48183510       3.70593998       0.07190480       0.62068106       1.00942926 
O       1.74442747       7.11744631       0.96747815      -1.32346815       0.03624015      -2.11848472 
O       2.18552523       6.89881462       8.72742258      -1.64880803       2.55371167       0.03632145 
O      10.82097552       1.75858525       1.56175745       1.88831562       0.14619293       3.42431844 
O       3.56324486       5.73379192       6.94914209      -0.24863107      -2.04061088      -1.76546559 
O       3.68776068       2.25458473       7.32611350      -0.77738168      -0.25328829      -0.69185440 
O       5.41429962       3.27457508       9.07935377       0.15506902       2.40519818      -0.66416953 
O      10.71136863       5.19435497       1.80396291       0.00560328      -0.91808123      -2.76480714 
O       1.68681019       7.49518443       5.95868096       1.66979366       0.29677691       0.08270895 
O      10.84444864       9.36306224       6.90745494       4.00891892       1.46141377      -1.82323771 
O       3.93118218       1.91928468       4.64512087      -0.35931058       1.96648872      -0.99672559 
O       4.75062809       0.02397918       3.18881564       0.64466412       0.60866792       0.88279254 
O       5.50836291      10.79387892       0.88658285      -0.67351406      -0.24847870       0.13002410 
O       3.33640581       1.63281037       1.75801959      -0.28192602      -0.37605828       0.22193600 
O       3.08961260       1.70076474       9.81360679       1.81846676      -2.08592883       0.93411831 
O       5.63262192      10.93806645       8.71345140       0.24054200      -1.50353839       0.78761990 
O       0.03448127       9.04102421       9.30238718      -0.72733088      -1.92241048       0.51172020 
O       3.47342538       5.49428248       4.16853872      -0.22798850       0.71071395       1.56990838 
O       5.26547157       3.87688381       3.64565963       0.03149612      -1.19967319      -0.42602142 
O       5.05560084       3.46272849       0.98384894       0.97084094       0.97392822       1.84921014 
O       9.31059253       7.73675579       5.84326724      -1.98760272      -0.28163489       0.18397975 
O       3.38882238       5.14382589       9.45780346       2.10061693       1.23377955      -0.20578352 
O       5.50538923       3.71396020       6.33977217      -1.04799122       0.41692482      -1.16162833 
O      10.79482475       5.20313817       9.82634044       0.32578411       1.17183012      -1.10792786 
O       8.94485496      10.83203352       6.26339707       4.28974223       0.77007956       2.00342315 
O       1.63991424       3.09401899       6.34200511       0.71477169       2.83590163       0.48218725 
O       6.86529583       1.81070119       1.54385311       2.03073763       0.10003506      -0.23778884 
O       9.14594193      10.89346973       1.17663540      -2.07107000      -0.17176669      -0.43159353 
O       6.90093165       9.19171040       4.04473298       1.76141782       0.16736338       2.69208207 
O       7.17107067       1.71548161       4.33410070      -0.56334601       2.24690707      -1.55603345 
O       3.74559937       9.48161723       6.67131842      -0.64913899      -2.51777605       1.15007023 
O       9.14736983       7.11486540       8.70890346       0.15021117       0.62721741      -1.29023679 
O       7.11207546       1.67761022       9.45848244       2.30491764      -1.92772816      -0.40497546 
O       7.33928515       9.03300562       9.30796857      -1.35720788      -0.61318164       0.67771264 
O       5.79225818       6.96635069       8.68543973      -0.73895044       2.60106454      -0.51479239 
O       9.18254406       7.20406280       3.28468497      -0.19093552       1.82313558       0.75442929 
O       5.58329176       7.22888800       6.25808299      -2.23648665       0.55498410      -0.82512466 
O       7.30765507       8.95474844       1.68561187      -0.61018562       0.48868867      -1.95731731 
O       8.94344350       7.01211949       0.59655858      -1.03022657      -1.19252375       0.91832033 
O       7.54570758       5.30526420       9.18145020      -2.94145731      -1.52863120       1.61049904 
O       3.88453953       9.09369178       9.64884347      -0.18856486      -0.93094163      -2.49833184 
O       9.06702608      10.68864402       8.91141419      -0.21979201       0.87905657       0.99933226 
O       7.31424357       5.38277549       6.47884381      -0.27431211       1.59326448       0.79294471 
O       5.47004835       0.00034489       6.20310970       0.06896517       0.80412927      -0.86592488 
O      10.76959779       5.46504486       6.82119923       3.29016961      -0.77262632       0.88219121 
O       0.06891039       9.31393378       3.84733215      -0.85068328      -0.55371797       1.54303632 
O       1.51550787       7.15389144       3.26479811      -0.51083787       2.61730737       3.00389801 
O       3.57256798       9.11285196       4.01926281      -2.23424323      -1.29910660       0.51033963 
O       3.39932042       5.66871350       1.62062297      -0.13286831       0.08989131      -1.66990104 
O       5.39719610       7.23204190       0.45215787      -0.63619820      -0.94107871       2.28892184 
O       8.65480976      10.91611468       3.58946815       0.78056498       1.77030223       1.62116202 
O       9.14206175       3.31094768       8.98422305      -0.27787869      -1.67093966      -1.54955257 
O       7.07129898       5.08668564       1.14802107      -0.54315239       0.98466660       0.37491522 
O       8.99576990       3.16282640       0.79412097       0.16095589       0.28108030       0.46575420 
O       8.73830248       3.68462770       3.27646727      -0.66173029      -1.46088425       1.12464480 
O       7.10497444       5.67310094       3.72045335       0.94702592      -0.48674582       1.95981317 
O       3.63920379       9.02921714       1.28063592      -0.31303320      -2.48999189       3.76890768 
O       9.04393270       3.91009352       6.19632244       0.94061066      -3.03395083      -1.46067788 
O       7.31432760       1.83738683       6.69044223       2.16908519      -0.29971125       0.94978461 
O       1.64415071       3.48874691       9.21334528      -1.14885901       0.34255086      -1.76160967 
O       7.30069910       9.08019191       6.63886936       0.14641689      -0.76310758       0.48197333 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01411615610063457 0.0017643928598761389 -0.004264927993137272 0.0017643928598761389 0.00046569218419093293 0.004325129807811012 -0.004264927993137272 0.004325129807811012 -0.009402974131826752" pbc="T T T" energy=-1065.21236529 free_energy=-1065.21236582 config_type=crystal 
Hf       1.63238462       1.74274835       2.70668452       0.36355485       0.61513182       0.78186745 
Hf       3.44378863       7.18785044      10.43237721      -0.74300746      -2.08231057      -1.11553220 
Hf       5.21978680       5.36340758       2.34812966       0.74092118       1.58142942       0.90319822 
Hf       9.02526586       4.99027679       7.98548681       0.06641115       2.24365658      -0.42629368 
Hf       0.06385266       7.30513048       4.83400500      -2.69677855       1.77742859       5.20328389 
Hf      10.66530763      10.67240646      10.51571548       0.85633577       0.31742099       0.72119706 
Hf       7.39941212       3.88524575       4.99621566      -1.01671696      -0.84754711      -0.24828309 
Hf       7.32437896       7.38435134       5.12992072      -0.00852841      -4.62568012       1.07471170 
Hf       1.55856769       5.30526748       2.50235496       0.49753734       0.29802803      -0.02245423 
Hf      10.92893912       3.55188382       5.38898282      -0.27142356       0.82279780      -0.58519735 
Hf      10.80953471       3.52992482       0.04658308      -0.54128995      -0.61945887      -0.20124562 
Hf       1.64950414       5.05262936       7.83695770       8.16112974       2.66090482       5.27539360 
Hf       9.10995158       8.93584102       7.62262859       3.31741831      -1.83350589       0.67084560 
Hf       1.94638511       1.64567118       8.39635091      -2.08972536      -1.50317741      -3.67804260 
Hf       7.11829704       7.06935966      10.25589245       1.16160530      -0.46746513       1.07123954 
Hf       8.99876242       9.26156969       2.82235982      -0.19461444      -0.29947908      -1.33063670 
Hf       5.37918521       9.00496001       2.42524455       0.96714612      -1.66618498       1.44157853 
Hf       5.68390487       9.09681775       7.76535990      -3.59828686      -2.58036860       0.08661243 
Hf       0.14330251       0.16929277       5.51127702      -1.41737370      -0.01408708       1.23880182 
Hf       3.52530741       3.61964153       5.42838942       1.90120991       2.32673137      -2.08366442 
Hf      10.91294303       7.39405923      10.54639056      -4.16692413      -2.99121028      -0.83535968 
Hf       2.02146527       9.42452332       7.78251872      -0.41837035      -4.07310961      -2.41720437 
Hf       7.12022858       3.36890350      10.52620907      -0.30422881       0.37381877       1.60060055 
Hf       8.82684503       5.42174445       2.36505284      -1.29209718       1.15349467      -0.38321528 
Hf       3.60477018       7.29227766       5.37296131      -0.19182798      -0.17847723      -2.25054099 
Hf       3.67792416      10.68847168       0.21945962      -2.39397262      -2.15656074       1.92511723 
Hf       7.21079943      10.87604585       5.35605450       2.48341540       2.97215082      -1.33550382 
Hf       5.29813611       2.02498663       2.53310689       1.78778174      -1.72916052       2.22349763 
Hf       5.62202736       1.66847533       7.60257231      -3.79818035       1.76272515       2.53378658 
Hf       1.72344903       9.16539475       2.77781624      -1.38557571       1.69981418      -1.88576515 
Hf       3.65163316      10.94982082       4.88627895       0.08981646      -1.05045115       1.28848824 
Hf       3.45306322       3.53014591      10.48613274       1.96578533       1.93078405      -0.36606256 
Hf       7.10042978      10.78793901      10.26884154       2.97994343      -0.81448902       1.32803968 
Hf       8.95567236       1.68323722       2.56010742      -0.79380476       1.34708310       0.84902178 
Hf       5.45107377       5.21720458       7.68104345      -0.24354808       1.20279890       1.33896571 
Hf       8.76146916       1.51422898       8.04467110       6.65062321      -1.09399972      -2.59014820 
O      10.78910407       8.99922816       1.49620553      -0.11496343      -1.31792849      -0.68419188 
O       5.29675161       7.23256911       3.53910805      -0.44279081       1.44035446      -1.43912159 
O      10.67113085       5.42064348       4.58286224       0.64540728      -1.89265655      -1.17166890 
O      10.39216480       1.85218542       4.39822302       1.61376393      -0.33827498       0.41502756 
O       1.72512146       0.00938250       3.76173139      -0.34403194       0.84835736       1.21805318 
O       1.62238453      10.71603227       1.06637356       0.78727337      -0.06196782       0.26285522 
O       1.81121053       3.67004121       0.92168098      -0.42617813      -0.48040520       1.11866175 
O       0.12487627       1.61828468       9.74945567       0.23084844      -0.29754051       1.90252584 
O       1.68431891      10.79370494       9.12049437       0.29627379      -1.13988994       0.77235076 
O       1.97703912       0.48083287       6.35241133       1.11450265      -0.91278019       0.00286168 
O      10.79354443       1.46165661       7.27682853       1.66649655       1.23544498      -1.12411606 
O       1.52961613       3.58420752       3.61632253       0.23175625      -0.46494423       0.88660751 
O       1.60471929       6.87565823       0.57283444       1.84274328       0.46292076       2.29949717 
O       1.77830057       7.04073996       8.70023551       0.65178888       1.56517334       0.02616037 
O      10.93891905       2.03551699       1.89930111      -2.86151930      -0.38795036      -2.06249178 
O       3.53749541       5.35918032       6.81694029       0.23487778       1.08987507       1.06307391 
O       3.65019102       2.07059416       7.28628388       0.46337746       0.23383352       0.35240534 
O       5.54350077       3.49010611       8.81953222      -1.71422387      -3.13111788      -0.53021383 
O      10.65618610       5.07437066       1.57804363       1.46955036      -0.42685293       2.36973181 
O       1.84877132       7.93340679       5.92749760      -1.88579021      -1.76743632      -0.07604574 
O       0.34671905       9.53875726       6.70120281      -1.79184472      -0.90800304       2.04147560 
O       3.90555894       1.93395279       4.53170434      -1.34946582      -2.55907769      -0.39862392 
O       5.16904080      10.90959006       3.27292026      -0.19977381      -1.07666322       1.35568917 
O       5.66788720      10.90957526       0.88822386      -3.67110733      -1.48286446       0.48077878 
O       3.40634902       1.50864405       2.02320847       1.50362523      -0.07926390      -2.61620961 
O       3.76451951       1.29669289       9.88844037      -1.19972059       4.67845910      -1.76984503 
O       5.77775276      10.81200836       8.73556780      -0.42706478       1.88840407      -0.50126274 
O      10.46194236       8.88403864       9.35437106       0.91197274       1.63967279      -0.18770197 
O       3.18344230       5.64300393       4.38538403      -0.88324356      -1.33249800      -1.47517114 
O       4.85789654       3.69363682       3.47894249       0.43741711       2.49611672      -0.46898529 
O       5.26349270       3.52332273       0.97330040      -1.44786101      -0.98646882      -0.93039451 
O       9.25254074       7.44864652       6.08035176       0.48854585       1.91331886      -0.40172743 
O       3.86698539       5.32784408       9.46195823      -0.47728550      -0.70097816       0.78173599 
O       5.34447824       3.77694482       6.24820557       2.89539025      -0.81839176      -0.64632144 
O      10.71107555       5.35723848       9.81330174      -0.08725843      -0.78008900      -2.16683599 
O       9.17332043      10.82322248       6.47715242      -2.53922497      -1.34902653      -0.20256043 
O       1.85028138       3.67197418       6.34044690      -3.68680142      -1.75844196       0.06673305 
O       7.18389774       1.79856435       1.60128553      -1.45063830       0.00283063      -0.59536339 
O       9.04413604      10.71176578       1.32447384       0.22768724       1.84712237      -0.85838509 
O       7.05584390       9.13274882       4.48233635      -0.51873792       0.62870645      -3.37187813 
O       6.94435323       2.02976213       4.14171899      -0.65309072      -0.38978570       0.92560900 
O       3.75558040       9.33936660       6.79047068       0.64971070       0.35751231       0.51670893 
O       8.78619488       6.96269062       8.46362388      -0.44683296       0.35761031       1.51140125 
O       7.39672538       1.66580688       9.41462867      -3.63558397       0.21046317       1.16057371 
O       7.29358723       8.94867389       9.49563356       0.19317263       0.24493151      -0.64767704 
O       5.61564308       7.36793925       8.60662378       0.32169624      -3.09303259       1.48804083 
O       8.99544001       7.20223983       3.58153126      -0.32823227       0.35450266      -0.99566494 
O       5.34667733       7.32255742       6.16255570       2.77131748      -0.02825698       0.56337774 
O       7.30320989       8.59825938       1.48531230      -1.25101892       0.76926847       1.15301677 
O       8.98037212       6.65164178       0.68921625      -0.23803827       1.34872699      -0.82576813 
O       7.16207853       4.83298588       9.22803753       2.43549077       4.52736692      -0.82454097 
O       3.79378068       9.02007020       9.61354127      -0.65718680       1.35547379       0.16368939 
O       8.99635013      10.88430843       9.27543756       0.51001432      -0.84623921      -0.77494340 
O       7.47713694       5.55226064       6.57441861      -1.14476362      -1.25371067      -0.10208684 
O       5.33200516       0.19005132       6.06925339       0.42942381      -0.41660352       0.49924838 
O       0.14730452       5.34023531       7.06804277      -8.77444583       0.38258909      -3.24499027 
O      10.54948288       9.42048384       4.12176953       1.36557903      -0.68040733       0.32196971 
O       1.14234410       7.34045142       3.30933341       1.83420307      -1.66069030      -3.13811373 
O       3.35699904       9.03093176       4.03155323       0.64770747       0.39385488       2.50312782 
O       3.29492497       5.55883315       1.50217637       1.70045898      -0.78686724       0.67796817 
O       5.22607653       7.03027917       0.68506679       1.56868030       0.45757242       0.34736606 
O       8.57963034       0.06420358       3.89206547       0.12729762      -0.22384159      -1.95051489 
O       9.20678881       3.17830459       8.89178763       0.88464712       3.07621809       0.64363936 
O       7.01170557       5.14343696       1.24102950       0.63666695       0.38549152       0.40205889 
O       8.93501625       3.12650605       0.80710185       0.90604150       1.05736616      -0.01314110 
O       8.70505671       3.67241428       3.48479120       1.05262649       0.22866953      -0.73486038 
O       6.87966923       5.51609083       3.79074835       1.70793300      -0.64448501       1.62416943 
O       3.42143193       8.84574041       1.83067072       1.62050007       0.17170341      -4.28881154 
O       9.07226469       3.46345126       6.22132398      -0.25132302       1.26309670       0.50117970 
O       7.33889205       1.55147259       6.72388350      -0.65334162       0.70381190      -0.86623152 
O       1.75953842       3.46133883       9.12173276       0.56384211       0.71120670       0.28826758 
O       7.33320347       8.81273940       6.80492729      -0.47712829       1.73005174      -0.58519320 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0007728744658511498 0.004407606020660765 -0.005729447596992424 0.004407606020660765 -0.01765751542166056 0.003415272835068447 -0.005729447596992424 0.003415272835068447 0.0029700709011868764" pbc="T T T" energy=-1062.33853674 free_energy=-1062.33854429 config_type=crystal 
Hf       1.87971829       1.76412953       2.73426858      -2.56862752       4.58503739      -1.50236065 
Hf       3.85358489       7.00839795      10.61162881      -1.16288831       2.33648812       1.78633202 
Hf       5.52780433       5.14295434       2.67368509      -2.32087863       1.99119098      -0.16800716 
Hf       9.02745531       5.09186093       8.28496442       0.87674483       3.61809489      -2.13676121 
Hf      10.62904228       7.41479949       4.97364136       3.16814462      -1.64381510      -1.38740685 
Hf       0.00376218      10.25210570      10.43349676      -1.53000529       0.87827283      -0.73093246 
Hf       7.40505895       3.85308770       5.13983949      -2.28116465      -3.37304384      -0.76207343 
Hf       6.69935582       7.20479050       5.46553235       2.95565749       1.91892932       0.32495276 
Hf       1.49729495       5.64590366       2.52408053      -0.33598287      -2.48541434      -0.69965261 
Hf      10.67647015       3.73971808       5.48858846       0.52470968      -0.53999083      -3.02256841 
Hf       0.13620149       3.15966088      10.55370820       0.53832597       2.89147332       1.82771405 
Hf       1.84078768       5.36815142       7.79338613      -4.60657165      -0.97306114       2.76962014 
Hf       9.18766128       9.01528122       7.59587338      -2.40005322      -2.28572016       0.53982516 
Hf       1.52201585       1.75265827       7.70805280       1.85473635       0.79148220      -1.06262698 
Hf       7.27741541       7.31386931      10.31660582      -0.54842221       0.01179122      -0.09159078 
Hf       9.47111645       9.11448780       2.49181217      -2.01764673       0.08016371      -1.31536821 
Hf       5.69985900       8.93260473       2.65435817      -0.25759261       0.66681569      -1.61339808 
Hf       5.22854514       9.14544825       8.15926746       1.79860965      -1.85856566      -2.78392130 
Hf      10.81004406       0.08636900       5.13733349       1.43690391       0.40205993       0.20114347 
Hf       3.30764226       3.60234244       5.33006989       0.97254983       0.89205287       0.55946634 
Hf      10.83600145       7.00439080      10.49139675       0.77613627      -1.76040373       0.57881084 
Hf       1.63781156       8.72235843       7.67068815       0.84995257      -0.04932119      -0.35986620 
Hf       7.34793677       3.55921678       0.20278920      -1.60872543       0.90719902       0.10326678 
Hf       8.91501991       5.31980391       2.54205885       1.83517526       2.37755807      -1.48663215 
Hf       3.40135035       7.26071168       4.94561365      -0.16594903      -0.27572306      -1.45296473 
Hf       3.08010871      10.86976905      10.11435891       4.82408158       1.04446668       0.69913551 
Hf       7.22680001      10.91154176       5.18337842       2.81678464       1.17269173      -0.53145225 
Hf       5.25539906       1.69416835       2.53578710      -0.61830947       0.14880875      -1.95179710 
Hf       5.48434922       2.18788833       7.79667591      -1.77814606      -5.54942737      -2.76652516 
Hf       1.93020770       9.24250746       2.52189064       1.66795360      -2.55263995       0.52483485 
Hf       3.84993216       0.03102323       5.31843549      -1.94247970      -0.49443069       0.92120213 
Hf       3.71933236       3.57366062      10.41755603      -2.76718805      -2.95438008       0.88772174 
Hf       7.20117480      10.89914691      10.39631525      -2.32136321      -1.90733658       2.73657920 
Hf       9.10269630       1.71965759       2.53757352       2.00411820      -0.02537520       2.30494851 
Hf       5.15937564       5.45442006       7.83049962       0.58507837      -0.33728406      -0.90100811 
Hf       8.84790619       1.82112221       8.29928550       0.40465928      -1.72020830      -3.79346581 
O       0.05348051       8.65315036       1.09906305      -0.65657891       0.97522822       0.89947430 
O       5.50020869       7.08721684       3.80612671      -1.36935164       0.69651643      -1.02326762 
O      10.70050455       5.54241164       4.24792088       0.57646782      -2.00604219      -0.23813795 
O       0.07965867       1.88661115       4.28622971      -0.80292323      -0.41075990       0.13914623 
O       1.80974780       0.03832168       3.47931514      -0.16674521      -1.12304788      -0.16167049 
O       1.66975860      10.58567131       0.99593804       0.78284044       0.83583772      -2.86474454 
O       1.87643434       3.34165198       0.75612697      -0.67090688       2.28090206      -0.62104254 
O       0.00448122       1.73329562       9.19093701      -1.81260787      -0.95424476       1.19367380 
O       1.68545789      10.79351463       8.72154815      -1.04328078      -1.20571792       1.15865701 
O       1.85936971      10.85029750       5.88853562      -2.27141083       0.57419949       1.05755797 
O      10.67118377       1.74823336       6.72549263      -0.81039218      -0.80048957       0.91453039 
O       1.37743883       3.81411907       3.44481054       1.74276301       0.27168056       0.03284018 
O       1.92623297       7.21892626       1.01660528      -0.94628885      -1.02271064      -1.41429895 
O       1.60418125       7.03799668       8.90786633       0.57331329       0.90595012      -0.11909836 
O      10.94368009       2.00333736       1.73167402       0.18614953      -0.06111291      -1.08196521 
O       3.42488581       5.06347503       6.88581653       2.49169697       0.83934716      -0.74966407 
O       3.58652954       1.67700304       6.71557131       0.46938602       0.04547012       0.23035735 
O       5.45741981       3.70194311       8.90217716      -0.23961440       2.14081675       1.79507925 
O      10.73322628       5.41755454       1.35957782       1.52414910       1.32823668       0.40961276 
O       1.85741483       7.08370544       6.33607222       1.31479275       1.54480662      -0.43815245 
O      10.91317935       8.79391163       6.49809740       1.42711104       1.31286454       2.07215100 
O       3.36749510       2.10031275       4.16358795       1.83526277      -3.20113313      -2.25180006 
O       5.34394195      10.95498975       3.62640743      -0.33080251       1.14409533       0.70454131 
O       5.47268229       0.40172497       1.07903557       1.20445076      -1.37972007      -1.68538370 
O       3.34404828       1.84735251       1.33031714       2.32550733      -2.12056955       1.89972808 
O       3.55898648       1.78825859       9.25527849       0.67344728      -1.18886943       1.20701994 
O       5.38113461      10.86075621       8.83615948       0.15479406       3.93356848       2.09925602 
O      10.82264269       8.59778290       9.18001348       0.09930914       2.28387391      -0.54275874 
O       3.71963957       5.24757954       4.24291207      -0.43123707       1.57168038      -0.52134940 
O       5.78154014       3.56679318       3.73057854      -0.70114255      -2.54366954      -0.47950306 
O       5.30272525       3.47076789       1.00206279       1.43942821      -0.32791348       1.03910509 
O       8.94428777       7.54370866       5.67985859      -3.65226163      -0.70284718       1.61609050 
O       3.25823508       5.20037934       9.43413151       2.55560015       3.31499110      -0.06999848 
O       5.14016046       3.62606426       6.31581781       2.14189993      -1.43149418       0.51533205 
O      10.84219148       5.00314121       9.33006233      -1.35145257       0.72648531       0.63295193 
O       9.03752354      10.42420365       6.27003775      -0.12062439       1.61984425      -1.04693683 
O       1.54606295       3.40525288       6.20754146       0.73104951      -0.76189076       0.58555252 
O       7.56573581       1.84415950       1.35870061      -1.38258125      -1.17489159       0.87314384 
O       9.73363623      10.82735804       1.18919208      -1.16299730       0.68313737      -0.30932056 
O       6.95486497       9.13059904       4.25097544       0.77416604      -1.76751983       0.76459861 
O       7.62226000       1.80721061       4.35714204      -0.39522938       0.02383722      -1.20577308 
O       3.51636008       9.58755309       7.18926630      -1.01718553      -1.14371872      -1.51598070 
O       8.88115699       7.05654103       8.66417982       0.60199720       0.40265676       0.11549410 
O       7.12684404       1.72562774       9.54349127       0.64637387       0.70752781      -1.64487432 
O       7.02410590       9.19249573       9.43701122       0.56311812      -1.20298342       1.11962437 
O       5.39759052       7.16421331       9.02150958      -0.51560353      -2.14404175      -0.13519437 
O       9.62019781       7.20720564       3.19279025      -1.59082952       1.29680521      -0.88456829 
O       4.83929171       7.25346910       6.34480415       1.08659313      -0.30974226       1.13483771 
O       7.61814592       9.30427651       1.55225278      -1.45655222       2.08292358       0.75399472 
O       8.78903478       7.32588826       0.86345043       2.88989223      -1.22604443      -0.87407145 
O       7.34178115       5.34860515       9.60953211      -0.35606706       0.81716589      -1.01266049 
O       3.77447380       8.87510556       9.59359180      -2.19599802       1.69313304       1.17954149 
O       9.16626323      10.57544816       9.08748123      -0.34690846       2.06208938       0.00493808 
O       6.82140040       5.33302199       6.55264936       0.84837742       1.94058130       0.72902708 
O       5.66232155      10.73949016       6.22174265      -3.59592374      -0.88096323       0.60868624 
O       0.13744444       5.31311549       6.67794645      -2.87506428       0.03085701       1.21644031 
O       0.09880373       9.20143999       3.88166967       0.21201952      -0.00647827       0.24069430 
O       1.78093779       7.21132060       3.63974714      -0.00656938       0.92483439       0.27796101 
O       3.40218377       9.21657910       3.98835251       1.18200568      -1.41468141       3.68754280 
O       3.78001217       5.60624392       1.34700339       0.96363018      -1.77123335       1.77031765 
O       5.81334421       7.65529892       1.07381471      -0.50161178      -2.02204986      -1.61149446 
O       9.27303011      10.91555954       3.74213183      -1.00677640      -0.31637968      -1.40981465 
O       8.65961155       3.57467043       9.30408782       1.72270900      -4.69270160      -0.50793213 
O       7.01603122       5.27762429       1.40070673       2.04940045      -0.51410697       0.45870049 
O       9.17102087       3.64127086       1.01012298      -0.11281334       0.41500001       1.12581640 
O       8.98868159       3.82086972       3.76176732       1.17815152      -3.02429501       1.18624122 
O       7.27629275       5.37300723       3.89710095       0.23894592       3.46759102       1.00556235 
O       3.86208302       8.81246342       1.73694367      -1.76240837       0.58196017      -0.84362815 
O       8.69330038       3.40251596       6.70998354       2.16776878       2.24168281       0.35314073 
O       7.26926776       1.40805592       6.75176497       0.17647795       1.79422896       3.97568618 
O       1.87844487       3.43450025       8.80440269      -1.43807830      -0.27661345      -1.13058440 
O       7.14601178       8.57836734       7.04513610      -0.98260606      -0.36725312      -0.56414450 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.004355610754397048 -0.003635154997513243 -0.014678080546611356 -0.003635154997513243 -0.017850685916087985 0.003967739047912089 -0.014678080546611356 0.003967739047912089 -0.015228154214244793" pbc="T T T" energy=-1068.23655679 free_energy=-1068.23655943 config_type=crystal 
Hf       1.81149221       1.93969987       2.59361620      -1.45669202      -3.98325804      -0.96729180 
Hf       3.74820789       7.13429620      10.45250248       1.36895412      -0.49103632      -0.90797934 
Hf       5.43813265       5.27622981       2.53353652      -1.19646165       0.90574428       0.95099400 
Hf       9.11439336       5.19511926       8.14086823       0.86468016      -1.83559385      -1.50500390 
Hf      10.90133164       7.40681388       4.88132935      -0.04661607       2.25516042       2.02491342 
Hf      10.72016366      10.60768060      10.36961573       1.66027011      -0.52509276      -0.49905475 
Hf       7.27000302       3.81476394       5.10980948       1.13801831      -0.99802930       1.50154365 
Hf       6.89798985       7.51217948       5.33719961       1.13579806      -2.83076183       0.09278169 
Hf       1.76319400       5.34206212       2.79542211       0.11510491       1.19731240      -3.40539452 
Hf      10.81936181       3.69319167       5.24007447      -3.10411364      -3.17454239      -0.30151704 
Hf       0.21454105       3.28507016      10.49441337      -3.14635429       0.85337302       0.89220979 
Hf       1.78291086       5.34149251       7.93338856       0.95432076       0.10511897      -0.55071302 
Hf       8.81069173       8.71030310       7.69954216       1.28255067       2.96402319      -0.10775162 
Hf       1.51790121       1.71622891       7.66823890      -0.34198427      -0.99672715       2.33046244 
Hf       7.38155285       7.11528064      10.32701119      -2.65765589       1.53627376      -0.15031051 
Hf       9.09273773       9.18774619       2.61899325       0.89858312       0.01276167      -0.66022864 
Hf       5.27518319       9.09038088       2.60150823       4.59603220      -1.07273842       0.55421557 
Hf       5.21254017       9.22275357       8.04787277      -1.87669412      -2.33485865      -2.07365499 
Hf      10.80142541       0.15530765       5.24090438      -0.41915429      -1.53026527       0.37019969 
Hf       3.41293259       3.53485797       5.22870718       1.08856571       0.99017225       1.16230506 
Hf       0.08072008       6.93819705      10.62899968      -0.20088570       3.98804939       1.97753768 
Hf       1.61021581       8.80471797       7.77025849       0.89680142       3.44261055       0.13620708 
Hf       7.26771968       3.68215559       0.09470875       1.69587349      -2.65246417       0.99859614 
Hf       9.13871393       5.47269532       2.49427023      -2.54040660      -1.02144493       2.28132364 
Hf       3.54324216       7.10304739       4.95348272      -1.00430450       0.71779133       0.61828823 
Hf       3.73570052       0.06858335      10.38135918      -4.93283222      -1.69468682       0.48341085 
Hf       7.28081780      10.87078872       5.06083721      -1.19458244       1.10554073       0.75244699 
Hf       5.13723641       1.72293530       2.65937867       3.07053809       0.80701398       0.40203430 
Hf       5.15814385       1.77912654       7.92799625       1.69582774       3.01185750      -2.34760451 
Hf       1.96187010       9.23459153       2.35801463      -7.01147300       1.47447613       1.99697630 
Hf       3.60003697      10.82132556       5.16808489      -1.51795601      -0.05509830       0.03906344 
Hf       3.74325183       3.64215052       0.03094314      -1.94752453       1.26162354      -1.12872191 
Hf       7.01857509      10.73667929      10.48510279       2.83286857       0.10243401       1.88201444 
Hf       9.20903479       1.69622556       2.54941401      -1.64064441       2.57955163      -0.45137893 
Hf       5.48755801       5.09226137       7.73572274      -1.41999019       4.32570050       2.97741683 
Hf       8.76794130       1.70944353       8.10062078       6.48420001      -1.11140665       1.37484502 
O      10.82359926       8.77700115       1.44098299      -1.04400933       0.13663615      -0.04618648 
O       4.98587215       7.08305279       3.34789404       1.08821547       0.68024942       0.36866285 
O       0.37790772       5.33454608       4.39953750      -0.17692639       2.43243469      -1.30702266 
O      10.87335736       1.78877856       4.02766515       0.51503752       0.19610247       0.77691248 
O       1.91163575      10.95314881       3.72244778       0.34295095      -0.36579933      -1.28799630 
O       1.51294033      10.70129601       0.96158044      -0.10779712      -0.07237275      -0.90070662 
O       1.87100301       3.90383787       1.19678033       0.95455466      -1.09595217      -1.44186604 
O       0.09974496       1.54414609       9.47977849      -0.28295266       0.03033569       0.22195176 
O       1.70844194      10.80684677       8.82923905      -0.54246342      -1.31494723      -0.63703846 
O       1.97462059       0.28027672       6.29575419      -2.86171106       1.06874741      -0.68580186 
O      10.52604197       1.75869185       6.70340312       1.46203645      -1.38016951       0.62727219 
O       2.05019968       3.49316733       3.61959700      -0.30377711       0.55525447       2.71193370 
O       1.98077687       6.98249633       0.69960078      -1.13825796       0.57151136       0.52425931 
O       2.02932499       7.24368057       8.77814428      -0.14904029      -2.76749900       0.86185299 
O       0.17670768       2.34590190       1.62041295       0.11566369      -2.63262798       0.81766592 
O       3.39707904       5.08575274       6.70879043       1.21418129       0.63796454      -0.10956573 
O       3.43111813       2.28283412       7.14313612       0.51876020      -0.08995209      -1.25516754 
O       5.32422038       3.51329635       8.99344817       0.54723229      -1.29473225       1.10891525 
O      10.87115706       5.67119208       1.73392503       2.42751971      -0.13020261       0.55060405 
O       1.68391540       7.17298611       5.88340054       2.23875376       0.43609820       0.58888277 
O       0.08834798       8.91782552       6.55356228      -2.00024956       0.59996426       0.25004152 
O       3.93457317       1.77038387       4.30679310      -1.91437754       0.10215392       0.51183040 
O       5.49434569      10.87255012       3.49457722      -0.30046990       0.32113293       0.07562913 
O       5.19390884      10.39073745       0.88293477       2.70880073       2.25588913      -1.25571389 
O       3.42183643       1.35136563       1.52758702       0.97577997       0.68231171       0.23394900 
O       3.26689689       1.85918302       9.65306425       1.53816781      -0.08180242      -0.64370726 
O       5.45236734       0.08074945       8.89020880      -0.32341521      -0.47047380       2.11376610 
O      10.57372927       8.71933775       9.37132836       1.01330762       1.39007898       0.03397120 
O       3.42193339       5.32574995       3.97563821       0.38880483       0.06370951       1.57969322 
O       5.35983078       3.66191273       3.88109379       0.53431325       0.19849980      -0.81919369 
O       5.33004667       3.17638839       1.06441283       0.45627318       0.89808892       0.15106625 
O       8.80430964       7.52716751       6.03898104       0.41742323       0.37031610       0.70599703 
O       3.77478846       5.26930792       9.42920231      -0.40977774       1.60732448      -0.43688245 
O       5.65334760       3.73543571       6.54120118      -0.66194952      -3.25883346      -4.15309821 
O      10.76198293       5.29307477       9.84852241      -0.83266511      -2.18952953      -1.62626709 
O       8.87702855      10.65962683       6.22608566       1.47069478      -0.10621244       0.24963841 
O       1.49032595       3.54044893       6.31666164       0.99213238      -0.42968260       0.16219605 
O       7.09067160       1.67698945       2.25284684       0.69799113      -0.30807225      -0.62691241 
O       9.25427530       0.23947000       1.05250186       0.31330437      -1.12708955      -0.10611534 
O       6.98418826       8.94671430       4.08043813       0.85571398       1.11042837      -0.65545423 
O       7.45632306       1.86603216       4.73389895      -0.08361274       0.02848418      -0.24132401 
O       3.40092646       9.30970619       6.95716858       1.36756802      -0.41484762      -0.13451596 
O       8.95285087       7.04930612       8.76954042      -0.86512255       0.40273124       0.54063019 
O       7.17435144       1.78497825      10.16897178      -0.45332813      -1.52905458      -1.22566597 
O       7.41389956       8.99378456       9.47209861      -0.22695772       0.03358305      -0.72978278 
O       5.49803732       7.53283878       8.90877235      -0.26099429      -2.36033944      -0.34624961 
O       9.22176052       7.38948368       3.54741164       0.41927652      -1.65457006      -1.40015788 
O       5.11242260       7.10318094       6.16109879       0.77484789      -0.52858757       0.73966260 
O       7.31507579       9.22965092       1.45826043       1.02058024       0.09232302       0.47850702 
O       8.83009513       6.54893465       0.86222012       0.66276434       1.86009373      -1.31267940 
O       7.27165562       5.26977651       9.44252002      -0.51847534      -0.25308230       1.62751828 
O       3.59834032       9.08195407       9.56126954       0.73782354       0.91518820       0.90230631 
O       8.75401754      10.91863610       8.97402718       0.71548068      -1.38870355       0.81735909 
O       7.36838089       5.47277607       7.15369699      -0.36470460       0.37967556      -2.26893942 
O       5.21787279       0.30099342       6.04990287       2.79030132       0.85173756       2.80870909 
O       0.03509349       5.86823289       7.28139496      -2.08483760      -1.15526559      -0.48371076 
O      10.73372927       9.36065674       4.11119282       0.68812453      -1.01842385      -0.29999056 
O       1.76065933       7.41223294       3.34222464      -0.22357336      -0.30332157       0.54690310 
O       4.02400141       9.07495538       4.41552054      -0.82204165      -1.54229620      -1.27909602 
O       3.80120063       5.36982791       1.33835829       0.72883498      -0.15397794       0.66980473 
O       5.60788250       7.15475894       0.79812683       0.24671972      -0.12683786       0.20899161 
O       8.99516129      10.95407229       3.71613032      -0.80686632      -0.93156384      -0.18525687 
O       9.11873018       3.30288560       9.22223686       0.02579665       2.63935835      -0.13849750 
O       7.18531993       4.90050573       1.73345948       0.31837286       0.23116965      -0.41363438 
O       9.09845107       3.19692706       1.17844977      -1.54115129       2.42802047      -2.15035630 
O       9.19558280       3.78032091       3.71424580      -0.38409789      -0.19229570       0.20132949 
O       7.25462704       5.61550087       4.23626767      -0.65394624       1.25728884       0.00139351 
O       3.62626092       9.09328608       1.70551775      -0.19894408      -1.80140800      -2.44079471 
O       9.20330557       3.77814023       6.34173811      -1.03359073       1.69793490       0.80630230 
O       7.29706215       2.00303990       7.22296714      -6.89059277       0.16437359      -1.55861596 
O       1.51339884       3.72786040       9.08737154       1.53009969      -0.87195168      -1.70676610 
O       6.85339115       9.25268361       6.77451071       0.46557229      -1.31118970      -0.05198146 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.003638596403366018 -0.006014908584290834 -0.005022457490349619 -0.006014908584290834 -0.002578129780683915 -0.006820548345377529 -0.005022457490349619 -0.006820548345377529 -0.013711693295730808" pbc="T T T" energy=-1064.58243851 free_energy=-1064.58244408 config_type=crystal 
Hf       1.76989107       1.91101235       2.52268920      -2.22619855      -1.55998637       1.22123696 
Hf       3.76165813       7.19354011      10.38902992      -1.37604526       1.09034555      -0.28525411 
Hf       5.31523120       5.41049647       2.52328687       5.64279426      -0.23970923       0.87144748 
Hf       9.15891372       5.27478943       8.01031329      -3.95843166      -2.67811988       0.49427503 
Hf       0.02517722       7.47720191       4.96762407       0.55831435      -0.77459762       0.23958758 
Hf      10.64527842      10.79538022      10.28318910       0.58783416      -4.88066611       2.16355237 
Hf       7.18794685       3.76579698       5.19337170       0.46676336       1.76600605      -0.68309055 
Hf       7.06628935       7.53413805       5.28171347       0.15712558      -4.11258262      -1.25182627 
Hf       1.95571798       5.24685382       2.76670882      -2.28887651       2.02675575      -0.53010045 
Hf      10.79277959       3.61057379       5.12442499       0.10988812       0.82653598       1.26970281 
Hf       0.13881953       3.45460626      10.51913313      -1.38256853      -1.88726969      -1.41415886 
Hf       1.76653295       5.31099802       7.92466757       1.21206870      -2.40462158      -0.97806662 
Hf       8.67237683       8.72365901       7.72420675       2.43698022       2.33570274       2.33054757 
Hf       1.53186211       1.64095605       7.73667106       1.21238655       2.34912721       1.43912587 
Hf       7.29817944       7.08222967      10.32247176       0.49261023       1.52426529       2.52852022 
Hf       8.90301618       9.25969917       2.65095763       3.48215622      -2.84673804      -3.11258445 
Hf       5.24913858       9.12769460       2.54781786       0.25281817      -5.49088690      -1.23696549 
Hf       5.16688784       9.12388958       7.88800581       1.66606232      -0.66902101       1.78431408 
Hf      10.73021777       0.09480862       5.30883060       1.30363125      -1.50264839      -0.13928466 
Hf       3.57438569       3.53929176       5.26457665      -3.10045361      -0.75719366       2.54365199 
Hf       0.15196728       7.01623040       0.09346388      -2.53369752       2.11271018      -0.23054756 
Hf       1.63082700       8.98658669       7.88552224      -1.04320293      -3.17366333      -0.11771774 
Hf       7.23382510       3.59778507       0.08012874      -1.29748482      -2.08431968       0.89716308 
Hf       9.20477510       5.52097677       2.52167328      -1.77208820       0.03701545      -1.83041081 
Hf       3.65227375       7.04119058       4.99796094       0.63959726       2.57039134       1.12466144 
Hf       3.88502302       0.07679586      10.54457662      -3.94416636      -1.79438028       0.47760575 
Hf       7.25911265      10.92213972       5.08734435       0.06772255      -0.00779348       1.18974467 
Hf       5.26846825       1.78353316       2.70288030       1.43915509       2.00470595       0.39791929 
Hf       5.04985661       1.63194265       7.89229706      -0.67336627       0.36329801       1.36535180 
Hf       1.72897885       9.20314616       2.32505676      -0.95843686      -1.90216960      -0.39575791 
Hf       3.46500065      10.76421774       5.16736956      -0.34354044      -0.16336663       0.46387871 
Hf       3.74525492       3.75072119       0.07638839      -1.02155656      -1.47252211      -3.05813174 
Hf       7.08591823      10.69330054      10.61340301       3.62742585      -1.80645087      -1.42707101 
Hf       9.14058204       1.76488385       2.54033589      -0.01688258       1.38789087       1.01239146 
Hf       5.58811076       5.06125567       7.75645280      -1.56078550       1.55651398      -0.18392368 
Hf       8.90082860       1.56786430       8.02517433      -2.04115700       1.80106355      -1.24711081 
O      10.68589209       8.65991679       1.42038845       2.03489647       1.37169034       1.03779456 
O       5.24328282       7.15051305       3.44143530      -0.49571814       0.91707768       0.30439382 
O       0.38189625       5.53555066       4.51476352      -1.35834530      -1.98747686      -0.14612707 
O       0.10567873       1.80222124       4.26201791      -2.05815033      -1.22874565      -0.92473131 
O       1.82443114      10.76545281       3.75806789       0.72614775       0.53388837      -2.00149667 
O       1.43408091      10.63841109       0.88644489       1.37634187       0.32095250      -0.29240895 
O       1.78185382       3.61851153       1.14064338       0.74457437       0.16173026       0.38138008 
O       0.34518686       1.48981112       9.63374264      -1.25795003       1.31178898      -0.98853092 
O       1.86355863      10.67636267       8.55660403      -1.06394363       3.13787441       0.98111169 
O       1.80028148       0.49199364       6.12272459       0.22253704      -1.35783125      -1.23304462 
O      10.59338083       1.72076185       6.85602706      -0.18415257      -0.68673374       0.50295601 
O       1.64089732       3.38700358       3.89677539       2.64078346       1.05544552      -3.32982712 
O       1.91242754       6.97307241       0.80163727       1.01775167      -0.25830334      -0.29049394 
O       1.98999569       7.06705232       8.77219767      -0.39703018       2.11387479       0.01250520 
O      10.94912730       1.71009596       1.65712796       0.71846718       0.64941424      -0.96731613 
O       3.56390912       5.06617251       6.84853393      -0.11744776       0.82664914       0.74286149 
O       3.44953703       2.38266695       7.02671562      -0.03050016      -1.68597886       0.06151507 
O       5.28799206       3.32338690       9.06550439       0.09185364       1.88005132       0.05130267 
O       0.21099163       5.59985701       2.02960893      -2.37885044      -1.12914116      -2.27955104 
O       1.91744823       7.08553104       5.81324191      -1.62353343       1.38212718       2.48144334 
O       0.04663980       9.32167496       6.67985000       0.86387346      -1.34205922      -0.20514261 
O       3.94532791       1.66106797       4.51407837      -0.01750794      -0.35808699      -2.48572333 
O       5.55347917      10.80073716       3.38301842       0.28643361       3.27204704       3.82759937 
O       5.47968032      10.60107140       1.14291171      -1.01149308       1.48096595      -0.99426252 
O       3.55951292       1.93128424       1.49567493       0.09725512      -2.19648852       1.23816742 
O       3.44481214       1.62334811       9.52422567       0.39109431       0.64106997       0.06253649 
O       5.41815471      10.91350179       9.31121839       0.73458265      -0.54736655      -3.05918711 
O      10.81831825       8.72230803       9.33879023       0.62919474       1.14744117      -0.00157594 
O       3.30154491       5.27415792       4.32371596       0.73836224       0.33697571      -2.65866606 
O       5.42254226       3.71746141       3.72178145      -0.65016749      -1.47137943      -2.74495946 
O       5.41691581       3.34584298       1.08212318      -0.11050993       0.21925113      -0.06539994 
O       8.85441340       7.44541362       6.27915807       1.25203296       0.14873655      -2.17381381 
O       3.55561554       5.37173600       9.41787870       0.95994924      -1.41887557       1.36121037 
O       5.33809561       3.70632266       5.91230812       3.19249578       1.18239946       4.37997153 
O      10.85114692       5.18967434       9.70356114       0.61478053       1.97085064       1.30610469 
O       9.05998017      10.72988657       6.35328269      -3.36223028       0.50499857      -0.31482378 
O       1.46623940       3.55084716       6.30776358      -0.65672511       0.57539773       0.47771862 
O       7.24849026       1.79897641       2.22462430      -2.32015367      -0.39851177      -0.94888544 
O       9.01185145      10.73160896       0.96566134       0.35391847       1.46476811       0.56763994 
O       7.28060186       9.04917810       3.79452154      -1.56050035      -0.45034708       2.76732325 
O       7.63526072       1.83032820       4.82316385      -1.09687148      -0.27205657      -0.58847232 
O       3.54892274       9.19779032       6.84244394      -0.99906368       0.15541117      -1.17264441 
O       8.68862063       7.01084114       8.90646734       1.53432509       0.52465507      -1.78060007 
O       7.31781172       1.59569035      10.06408470       0.41585189       0.67118616      -0.44528091 
O       7.27837373       8.89705645       9.24354004      -1.62963816       1.27914163       0.95089306 
O       5.48806834       7.24619629       8.64026531      -1.26248686      -0.34477575       0.48253938 
O       9.46530780       7.17972679       3.35887614      -0.49598339       2.01118088       2.65766426 
O       5.34924355       6.86808994       6.12402367      -0.94542357       1.33202516      -0.32220983 
O       7.51049401       8.68101037       1.26540158      -2.01246637       1.92177050       0.18890450 
O       9.09006052       6.99881693       0.85820757      -0.32622164      -3.61161632      -0.82433899 
O       7.17095234       5.11029341       9.52389012      -0.40740977       1.11053902      -1.25412082 
O       3.48945740       9.26462324       9.64593527       1.55538644      -1.90848235      -1.58677128 
O       8.78836175      10.71882407       8.89343098       1.91228860       0.98802661       0.64188910 
O       7.36326509       5.59594780       6.88834995      -1.57679597      -1.85162975       0.89718063 
O       5.37161494       0.19517731       6.36131195      -0.94786716      -1.51663056      -0.75416222 
O      10.75194921       5.76964784       7.38476634       4.60142163       1.31832573      -3.24629846 
O      10.59762420       9.23786233       4.12646702       0.50031269       1.25042826      -0.37527247 
O       1.67884814       7.42437591       3.36787465       0.24656380      -0.45292297       0.24173174 
O       3.73359740       9.03030694       4.02910782       0.28928662       0.67936485       0.75894348 
O       3.72951465       5.38621841       1.46488846      -2.13304180      -1.17582261      -0.34811859 
O       5.51391585       7.13281604       0.76032617       0.21252543      -1.18988700      -0.36249820 
O       8.91249838       0.02766007       3.72886504       0.38408232       0.87012411      -0.44557129 
O       9.54314152       3.38939012       8.82556970      -1.28885355      -1.60369011      -0.70072780 
O       7.18022528       5.00806824       1.66758285       0.37198911       0.95530982      -0.01420106 
O       9.03370363       3.27801373       0.67677022       3.11573892       0.00823229       1.57540605 
O       9.09172605       3.64268966       3.41099629       0.86484977       0.00801651       0.61402286 
O       7.12912376       5.75520148       4.34083088       1.08380079      -1.52240349      -0.92197453 
O       3.61215803       8.51506477       1.34208397      -0.42531581       3.49166888       3.17954323 
O       8.92871118       3.79794374       6.08868671       2.37976502       0.31256535       1.12203535 
O       6.78516529       2.07916679       7.27607483       4.90612562       0.32591891       0.41894071 
O       1.74260285       3.38897412       8.92471638      -0.85224599       2.06299833       1.01336029 
O       6.93766174       9.11789501       6.62648190      -0.80086715       0.56753899       0.28889856 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0025964753049029137 0.008048752885659384 0.0019148465032950758 0.008048752885659384 -0.016739897282116178 -0.003586296364211683 0.0019148465032950758 -0.003586296364211683 -0.007616693316812129" pbc="T T T" energy=-1061.58533886 free_energy=-1061.58534574 config_type=crystal 
Hf       1.57842654       1.76322172       2.54477371       2.58298932      -2.66569460      -1.41868055 
Hf       3.48478763       6.91206590       0.21531622      -1.57603007       0.61728670      -0.84331199 
Hf       5.37825625       5.29248556       2.58417966      -1.97112267       0.47141779      -1.57504196 
Hf       9.20791904       5.40306666       8.30735653      -2.16686097      -0.75196189      -2.40188137 
Hf      10.77075781       7.17089395       5.01333515      -0.17147836       1.29405551       2.87788127 
Hf      10.80518956       0.39121279      10.32963687      -0.39935668      -2.73690045       1.03157476 
Hf       7.30189944       3.93581438       5.08782701      -0.40420519      -1.66006809       2.19321877 
Hf       6.91117978       7.33014171       5.09008822       1.65359889      -2.28266610       0.32064073 
Hf       1.62553558       5.11373524       3.02190155       2.26355875       0.87694227      -3.31065686 
Hf      10.64387572       3.35806571       4.93990013       2.00631642      -1.60478236       5.83376066 
Hf       0.22969539       3.60946691      10.57693703      -2.97642786       1.91192935      -1.61802813 
Hf       1.79514619       5.35123404       7.82821354      -1.60808842      -0.61137772       1.40086374 
Hf       8.99015068       9.07059335       7.66646694       0.31283840      -1.18633276      -0.74764886 
Hf       1.72151288       1.62853665       7.61716858      -0.10576796       4.54824590      -0.01508506 
Hf       7.21626921       7.45122403      10.31502019       0.53528098       1.38060646       2.91082415 
Hf       8.97693139       9.00858952       2.57149767       1.26409152      -0.37911343      -3.55092870 
Hf       5.44784723       9.10795474       2.55577749      -0.55533992      -0.20676104      -1.53743774 
Hf       5.20905463       9.05285307       7.88550194      -0.20137931       1.99670391      -0.66869498 
Hf      10.92895018      10.52913616       4.97482097      -0.78471796      -0.06377780       2.27126499 
Hf       3.68158708       3.17293035       5.18968078      -0.97878940       0.15477383       0.36807945 
Hf      10.89869092       7.39232402      10.61065233       1.79315364      -0.05688377      -1.31928126 
Hf       1.65685868       9.22398853       8.20351269      -0.90207207      -4.11322277      -0.87717753 
Hf       7.25418037       3.62959341       0.06367664      -0.06415791      -0.18076828      -4.31582739 
Hf       9.20557357       5.52273554       2.45102720      -2.92582801       0.04695504      -3.22346140 
Hf       3.33878710       6.93083199       5.46624906       0.25849762       2.45864560       0.70332129 
Hf       3.49395572      10.78375908      10.42465407       1.08069592      -0.90047081       1.21713117 
Hf       7.56124429      10.84566037       4.99065340      -6.46114357       1.22013375      -0.64222280 
Hf       5.63020656       1.73783995       2.55288002      -2.91364013      -2.05691919       0.77475724 
Hf       5.75083508       1.89093340       7.64380719      -2.32984184       0.57560489       1.90441977 
Hf       1.68533617       8.99051387       2.68149486       1.78857720      -2.41309635      -4.49921088 
Hf       3.49592594      10.73393996       5.46145677       1.31935064      -0.29463054      -0.85237105 
Hf       3.51937923       3.27508705       0.02876207       0.26918168       1.32990039      -0.00852519 
Hf       7.03992549       0.02694310      10.43804045       0.24863046      -1.56267511       2.35095502 
Hf       8.83730538       2.06060141       2.39887262       2.61260224      -1.21278149       1.18649675 
Hf       5.59222780       5.72780918       8.04726936      -0.13808649      -5.57713957      -2.98107115 
Hf       9.08411810       1.63665417       7.69091014       4.22489164       2.36629566       1.92715287 
O      10.94448174       9.11875955       1.35655801      -1.14802832       0.59088035       1.11083669 
O       5.21006215       7.31490137       3.50586128       0.22177464      -0.26292749       0.46899706 
O       0.22204602       5.16046565       4.56777895      -0.08732281       2.02885471      -1.51885211 
O      10.78285444       1.92568813       3.69374034      -0.81159069      -1.59323941      -0.83327688 
O       1.26335783      10.74049877       3.45413334       0.01654600       3.66630460       0.48855650 
O       1.76493809      10.84621157       0.68248044      -1.44220190       1.50953853       1.30047929 
O       1.77322279       3.58168501       1.17389705       1.50503759      -1.20902564       0.25492394 
O      10.51813984       2.22511934       9.13244583       1.84375978      -2.89580834       2.12263608 
O       1.59696157       0.10820967       8.91477178      -0.56999788      -0.50263892       3.43811646 
O       1.62607265      10.74427640       6.79457433       1.56480883       0.21427606      -5.51082997 
O      10.84994833       1.73525730       6.57919401      -0.06498650      -1.99356293      -0.53371716 
O       2.09422450       3.21650444       3.69269104      -0.58194798       3.12201627       0.47699672 
O       1.58523262       7.35117690       1.02821694       2.54739484      -0.70181859       0.67915027 
O       1.47030769       6.86249756       9.00728064       1.10615708       0.47072275       0.68729800 
O       0.02175653       1.93950431       1.23320007      -0.88220909      -2.19818730      -1.01318848 
O       3.58522292       5.65896080       7.19164326       1.60700800      -0.37056561      -0.68531727 
O       3.64938389       1.89776425       6.84315130       0.63143230      -0.67634038       0.40595896 
O       5.68116587       3.59683935       8.79019023      -0.28987608      -0.21762142       0.08797248 
O      10.94021427       5.09615382       1.71543482       1.48453818       0.49446749       1.44624560 
O       1.49310954       6.81168823       6.30099503      -0.36814116      -0.26083775      -1.20252493 
O      10.92609987       8.95271830       6.32939380       0.26276643      -0.42140785       0.35751235 
O       3.46213763       1.33523686       4.17207574      -0.07141042      -0.21253693       1.98217329 
O       5.54882090      10.75295442       3.69384344       0.18675337       1.44227528       0.53944543 
O       5.65471962      10.83831525       1.28607881      -1.07905583       0.54824851      -1.80185722 
O       3.74995372       1.78698747       1.81798990      -1.42894165       0.11728424      -2.01087171 
O       3.49738845       1.64697308       9.49124559       0.00041950       0.26549167       0.79592518 
O       5.27695291      10.84175708       9.18634507      -0.23145959      -0.84220735      -1.51808764 
O      10.82781842       8.74007844       9.24290857       2.20856673       3.26214435      -1.44659288 
O       3.81604163       5.26056503       4.69510119      -1.37707960      -1.97775669      -2.08442020 
O       5.19994505       3.53342679       3.73866774       0.92928833      -1.59820955      -2.03918517 
O       5.31965622       3.67116047       0.92139740       1.04673017      -0.68654734       0.92045606 
O       8.77252453       7.47607048       5.81086293       2.38470629       0.46253565       1.58763463 
O       3.65077914       5.16259210       9.94318429       0.32418401       0.30947913      -1.69304859 
O       5.76066206       3.53231454       6.24365317      -1.15016616      -2.16827240       0.04166197 
O      10.25588257       5.47488203       9.94478693       2.07144280      -0.63998991       2.17421682 
O       9.05618019      10.49203159       5.98703913       3.71930262       0.01869596       1.44565020 
O       1.71940243       3.22466316       6.15221645       0.50786935       1.16947844      -0.28187188 
O       7.23928897       1.70908757       1.28978589      -0.03614138       1.42992397       1.10328716 
O       9.02094613      10.61335121       0.59455257       0.27735408       2.15508422      -0.05627459 
O       7.25753575       9.00261619       4.12734997       0.59091068       1.31455863      -1.02026765 
O       7.32140419       1.89437358       3.94004764       0.25105596       0.93774619       0.33948131 
O       3.31528724       8.64476979       6.71281127       1.48869101       2.35954862       1.84863326 
O       9.12366542       7.34383748       8.63493423      -2.60838172       0.85697048       1.02120075 
O       7.22458952       1.69536409       9.55545453       0.34772117       0.84168073      -2.73119091 
O       7.19185957       9.28585366       9.39647530       0.53865872      -2.98136573      -0.48098876 
O       4.92732821       7.31482128       8.79945691       1.79814291       1.72369062       2.15523036 
O       8.90435621       7.09555775       3.55755574       1.24377429      -0.18854806      -0.94590658 
O       5.44948416       7.00623261       6.26674361      -2.42319617       1.49862783       0.96405980 
O       7.31692680       8.83405857       1.43421572      -1.23485197      -0.30390234       0.74683814 
O       9.23783012       7.36585213       0.97956726      -3.64278226      -1.52907002       0.93867059 
O       7.07943162       5.62277631       9.50124174       0.09049568       1.08484203       1.10860001 
O       3.34675879       8.87856064       9.36984094      -1.21083387       2.78941383       0.64139798 
O       9.70146777      10.70700244       8.61272122      -1.33268325       2.64484959      -0.95781639 
O       7.31207242       5.59995715       6.86157136       1.04493856      -1.31391867      -0.76877835 
O       5.30481719       0.02833517       6.35613647      -1.51212184      -0.89507693       0.00755342 
O      10.81179275       5.06969431       7.33186241      -0.07311556      -0.41104350      -1.54049701 
O      10.88937218       8.82552001       3.76271404      -2.41456218       0.09091568       2.42676535 
O       1.57056046       7.05032766       3.66571071       0.76261118      -0.31438917       0.29447070 
O       3.07922927       9.18755819       4.20796158       0.83542710      -0.14663525       0.93596406 
O       3.40062758       5.35268626       1.65037705       0.38544609       1.19742866       3.29485186 
O       5.31531731       7.29899073       0.87550797       2.31455260      -0.93340096      -0.66348097 
O       8.89590300      10.94486082       3.49670397       1.72345799      -0.52762834      -1.22019326 
O       8.75883424       3.70730180       9.12734445      -2.12230496      -1.62367091      -0.77887028 
O       7.27698692       5.04925677       1.48654335       0.69859032       1.79135073       2.05649378 
O       9.15237836       3.40074547       0.97623379      -0.85287905       0.60125889       0.53225764 
O       9.04374611       3.97309578       3.69489305      -0.80704971      -1.17900062      -0.79311675 
O       6.69835904       5.43029089       4.03835346       2.27647065       1.89603227       1.22508212 
O       3.62330883       9.06869928       1.54278564      -0.40844150       0.52075943       0.26473581 
O       9.05745349       3.13969981       6.03710109      -2.82288806       0.78917335       0.74910526 
O       7.45345204       1.21214171       6.87850325      -2.51346113      -0.15946992      -1.62117185 
O       1.74477061       3.54281696       9.07773295      -0.27216405       0.12685871       0.38291546 
O       7.01342095       9.26649693       6.96778781       0.43547071      -1.08709649      -0.90430863 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016695094574931398 0.0044144978763130385 -0.0048493976938200995 0.0044144978763130385 -0.028130790753578324 -0.0023216127433832545 -0.0048493976938200995 -0.0023216127433832545 -0.017253886401236398" pbc="T T T" energy=-1058.12106946 free_energy=-1058.12110081 config_type=crystal 
Hf       1.81763513       1.80293218       2.51393292      -2.18691253      -2.10742786      -0.93028721 
Hf       3.48430765       6.86475066       0.09048925       2.06781347       1.32374422      -0.11900915 
Hf       5.37793611       5.20140899       2.60657858       2.59701031       2.77586781       0.38143043 
Hf       9.14156139       5.39805604       8.33070876      -1.93956860      -3.69612840      -2.87192602 
Hf      10.73222140       7.16824983       5.11459317      -0.60487145      -0.81851417       3.88761383 
Hf      10.92018221       0.41914369      10.33476409      -2.77647982      -5.84919029       1.00550345 
Hf       7.25063555       3.82039872       5.16038216      -0.33996828      -1.06449265      -0.17722591 
Hf       6.95612195       7.25106557       5.12071101       1.13045626       4.95965340       2.39927794 
Hf       1.64064139       5.19118562       2.90907482       4.53651661       0.72978579       1.09694795 
Hf      10.71007078       3.32972353       5.00790554      -0.98753525       0.23298017       1.87336878 
Hf       0.16563664       3.63531014      10.54124187       0.91801942      -2.39328258       3.54162612 
Hf       1.75326118       5.34544116       7.81436597      -0.38610060      -0.58998569      -1.11689051 
Hf       9.04488729       9.01910136       7.60705509      -1.67172261       2.44190481       0.17576812 
Hf       1.73501944       1.72846227       7.66572451      -1.36124266      -0.13952341       0.22678338 
Hf       7.30829851       7.45488530      10.53435141      -5.47977750       0.15547229      -2.26782893 
Hf       8.98231856       8.87669166       2.50354956       0.62287141       3.60546455      -0.42961234 
Hf       5.34634569       9.23600156       2.51731486      -2.52338469      -1.09286232       1.76551482 
Hf       5.20940610       9.07405370       7.84298817       4.17375026       0.17403427       0.94960544 
Hf       0.00386572      10.45324264       5.14328180      -0.88129941       1.05980425       0.04980728 
Hf       3.66760668       3.05026369       5.08682459       0.03928461       5.03984152       2.55326676 
Hf      10.82196528       7.46467646      10.44857825       2.04025354       0.60419277       0.50445081 
Hf       1.61769810       9.12633814       8.13271058       2.32792864       1.45818664      -2.93160099 
Hf       7.32319834       3.64818925       0.03078350      -1.40775208       1.77854181      -2.25455835 
Hf       9.27109495       5.56723761       2.44762922      -1.44725646      -3.41810255       0.57328891 
Hf       3.32402980       6.91352217       5.36761630       1.43400981       0.22840560      -0.82789185 
Hf       3.51033845      10.74868301      10.51849603       0.04677282       1.84620033       2.45368082 
Hf       7.30063041      10.87074611       4.94593454       2.98482146       0.15641818       3.30171016 
Hf       5.62754557       1.71407288       2.55527537      -0.98580026      -1.15919046       0.07721841 
Hf       5.70734282       1.90176560       7.69781346      -1.16659683      -1.52462514       0.85151696 
Hf       1.59664801       8.92669210       2.66239986       2.31560397       0.85059414      -0.43666760 
Hf       3.52588337      10.84679366       5.59663277       0.35753606      -2.17583274      -0.28454012 
Hf       3.52626737       3.31062667       0.04711326       2.00220870       0.71924799      -0.40895135 
Hf       7.12185774       0.14441958      10.49401308       0.46020745      -1.95689504      -1.42438217 
Hf       8.90119826       2.02389070       2.33426977       2.12487148      -2.24531335       3.62964668 
Hf       5.49166914       5.68835180       7.98015371       0.65370454      -1.36597941       1.79297268 
Hf       8.98113279       1.72477317       7.77514315      -0.49759030       4.08360920      -2.42824350 
O      10.94337014       9.41749154       1.61085067      -1.33308153      -2.48325714      -1.58761469 
O       5.46248203       7.40152947       3.35596762      -0.28880665       0.35714897       1.37876661 
O       0.05801038       5.28141463       4.34057663       0.77807003      -1.01559959       0.17758628 
O      10.62109502       2.12366744       3.37420730       0.87828311       1.11784330       1.86202460 
O       1.42690330       0.18232000       3.74168988      -0.57903722      -0.53419366      -1.24351390 
O       1.69516557       0.01886809       0.76606413       1.92482687      -1.07027227       0.98462935 
O       1.95945398       3.61913503       1.16578574      -1.52019590       0.25591543      -0.05936155 
O      10.63044235       2.06134839       9.37704633      -0.44968305       3.18692374      -2.75571842 
O       1.34151082       0.04262651       8.99564348       2.71650125      -0.24745016      -3.88090904 
O       1.55896539      10.68116129       6.31421857       2.84963605       0.94994105       2.85170015 
O      10.95099300       1.45127186       6.50482226      -0.42476799       2.02574629       0.16126947 
O       1.98164360       3.47400638       3.78328467       0.16210989      -2.45681963      -0.63979666 
O       1.61446685       7.32117170       0.98039356      -1.56083258       0.06390682       0.59536519 
O       1.67249366       6.76525101       9.24864206      -1.28089475       1.06538978      -1.19297424 
O       0.22853833       1.73069971       0.98266986      -0.33237513       4.16893430       3.93839284 
O       3.56465895       5.80929454       7.10882634       0.06777091      -1.42724419       1.36163014 
O       3.66333318       1.54380262       7.01005062      -1.51514553       1.06821945       0.23856933 
O       5.63297240       3.72932686       8.93580359      -0.66998763      -0.55066993      -1.12907636 
O       0.12842930       4.98602400       1.92088383      -3.05659949       0.20188337      -3.71443943 
O       1.47590588       6.84487209       6.31735370       1.18446769      -0.65081675       0.63474264 
O       0.08462568       8.83572695       6.42496148       1.79606199       0.67826961       1.92001826 
O       3.78485450       1.37808129       4.30316734       0.10431047      -0.67805340      -2.81304077 
O       5.90382017      10.86659805       3.68533333      -2.68287502      -0.81360656      -4.54065921 
O       5.43473224       0.20006620       1.06881642      -0.10388534      -1.78722318      -0.75910315 
O       3.56542521       1.70574654       1.59989015       1.64516177       0.75609855       0.88532509 
O       3.08804655       1.63510193       9.79823853       0.78785533       0.47992542      -2.18899991 
O       5.16367411      10.78635708       8.97927886       0.47714080       0.82497337       0.31836498 
O      10.91306541       9.07986158       9.07000992      -2.51883824      -3.04263062       2.92984510 
O       3.87337646       5.09607702       4.62289499      -0.28663947       1.49662206       0.36039540 
O       5.25565576       3.41051855       3.43775469      -0.35351412       0.08136068       2.04981609 
O       5.50714395       3.63695749       0.95240315      -1.64122582       0.16071472       0.04535166 
O       9.09577890       7.77000627       6.18638050      -1.17150175      -4.13010454      -2.86291399 
O       3.80875195       5.20496925       9.71636462      -0.83713040       0.35657231       0.31396652 
O       5.47216670       3.30378049       6.31440117      -0.24700650       0.58554554      -1.85376996 
O      10.31144165       5.37783104      10.16957604      -0.82024465       2.72461157      -2.49183213 
O       9.18341134      10.46613609       5.97661251      -1.20151138       0.67260285      -0.17758805 
O       1.79190880       3.38403647       6.09351599       0.62040588      -0.70307390       2.53290725 
O       7.22611307       1.97540843       1.25636874      -0.65498783      -1.39863702      -0.88433891 
O       8.93439559      10.77321919       0.70916986      -0.86674858       1.06927171      -1.80781948 
O       7.83066076       8.90894535       4.05270144      -2.83933763       0.02498023       2.11607190 
O       7.29435240       1.94951031       3.94571715       0.18888077      -1.07489463      -0.58567812 
O       3.55086841       9.25211729       6.99861637      -3.56198802      -0.38071518      -0.23730154 
O       8.81963544       7.21979682       8.58006489       2.57630687       1.86913984       1.80763978 
O       7.07690319       1.64382969       9.15230623       0.77134113      -1.71414136       3.17179622 
O       7.40803635       9.00446064       9.36734557       0.05934860       3.26978243       0.77085569 
O       5.29212971       7.42934402       9.09218191      -0.92329699      -0.73261609      -2.87228066 
O       9.22980036       6.90501736       3.78964804      -2.09133130       0.47146691      -1.61402389 
O       5.12749313       7.46697360       6.23080090       1.46231508      -1.47813991      -0.51965571 
O       6.91503366       8.78589403       1.59064728       3.16191654       0.89891239      -1.68655743 
O       8.91410103       7.36880237       0.89391941       5.46085512      -0.53277298       2.05654990 
O       7.22379083       5.79134653       9.40096775      -0.23086343      -2.47547620       0.62807675 
O       3.30157866       9.09981005       9.56514403      -1.76884663      -2.74955842      -0.83953603 
O       9.42694295       0.19491831       8.60667161       0.08034835      -5.53694424       1.76152426 
O       7.45559700       5.24824906       6.55856248      -0.36902939       2.24622555       3.34345229 
O       5.49428577      10.87735082       6.02128141      -1.20066715      -0.53815326       1.05093813 
O      10.66910290       4.84683426       6.90838201       0.07569900       1.10933051       2.73305746 
O      10.71707539       8.64685669       3.91165259       1.87042402       3.17217719      -1.04868167 
O       2.13867551       7.02120114       3.66514301      -1.64163167       1.51995369      -0.04796996 
O       3.23250667       9.43790103       4.34936363      -0.04450708      -2.63976589      -1.37802953 
O       3.56236641       5.33877904       2.14182683      -1.66285496       1.30369775      -3.24296224 
O       5.45405084       7.00098403       0.67376444      -1.88886545      -1.12379245       1.97637272 
O       9.00915967      10.87757345       3.07751545      -0.37014977       0.67438945       1.48362856 
O       8.18082066       3.50639363       8.70812361       3.27599172       1.98336666       0.67453972 
O       7.46091921       5.16602659       1.83641920      -1.97418739       0.13559138      -2.29715575 
O       9.20550137       3.52626288       1.02214012      -0.29447326      -0.18902369      -1.48693214 
O       8.73929093       4.00978929       3.73541388       1.85153002      -0.16097388      -1.28824308 
O       6.79295358       5.60894370       4.37067403      -1.50114605      -3.80708363      -3.38817435 
O       3.42295076       9.08106598       1.75207182       1.52730314       0.46372825      -1.19247814 
O       8.83690001       3.00099872       5.98899806       2.41472886      -0.10817376       0.13008582 
O       7.30599282       1.14248171       6.77809109       0.45998927       0.69233465      -0.42266533 
O       1.67542735       3.63974316       9.24021018       0.75420615       1.04164921      -2.89379746 
O       7.02490163       8.93258139       6.79369882       0.58272715       0.31917742       0.12916138 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006413526896222702 -0.0010229330828592754 -0.0033983860264302766 -0.0010229330828592754 -0.001100974996826018 0.008846327431068704 -0.0033983860264302766 0.008846327431068704 -0.01621504540306422" pbc="T T T" energy=-1064.56614371 free_energy=-1064.566148 config_type=crystal 
Hf       1.92121480       1.44293807       2.58290333       1.66092300       2.56453156       1.19143878 
Hf       3.66999651       7.33442835      10.49158106      -6.90603445      -1.75652326      -1.35972120 
Hf       5.57863930       5.45523069       2.62354533      -3.53621646      -4.77337086       1.41498540 
Hf       8.69928279       5.68090435       7.77268732       2.28838342      -0.52581628       2.91446489 
Hf      10.80913811       6.90612479       5.28548272      -4.62588268       0.24104554      -2.69499378 
Hf       0.15311317      10.94222853      10.45664832      -2.52404195      -0.58319071       0.58689160 
Hf       7.13029430       3.41729462       5.17555856       0.53182170      -0.49212006       0.01027474 
Hf       7.18026451       7.17912300       5.32789265       1.38090206       0.94284790      -1.11089165 
Hf       2.05352274       5.40470524       2.33328637      -1.41447306      -2.06398439       0.82113067 
Hf      10.88958396       3.63838297       5.41589152       0.87128471      -2.98074846      -1.04813036 
Hf       0.05666881       3.75673768       0.14607615      -0.38957328       1.98073265      -0.67381385 
Hf       1.72107914       5.41049011       7.75527564      -4.36159361      -0.39066013       2.29388693 
Hf       9.04074132       9.23808233       7.92812603       0.37319266      -0.13841895      -2.26485062 
Hf       1.48880186       1.88066763       8.20171458       3.26015187      -0.80322204      -3.70505004 
Hf       7.15768835       7.46617853       0.14128906       4.05257603      -0.81689606       0.81096806 
Hf       9.14452532       8.88459115       2.81013052      -1.64719555      -0.96984285      -2.80429604 
Hf       5.06417468       8.94029288       2.66266590       1.06729520       1.64815005      -0.40708924 
Hf       5.60571716       8.95227370       7.90748079       0.76719510       5.14030699      -1.85970552 
Hf      10.92684126      10.82196528       5.27426041      -1.19365101      -3.71087904       3.03246427 
Hf       3.62473048       3.50125647       5.01010032      -2.63466987      -3.17959759      -0.95307032 
Hf      10.75097226       7.33458711      10.24362488       0.09559282      -0.45841073       0.73275717 
Hf       1.87281557       9.06140291       7.85356434      -5.67127595       3.38190128       0.41952637 
Hf       7.16724670       3.77729146      10.35708254       0.72030627       0.10894755       0.24172036 
Hf       9.09489782       5.10273465       2.55786545       1.91375705       2.68406857       0.19237752 
Hf       3.63799206       7.16390314       5.03494125      -2.43243004      -2.71778950       0.82040542 
Hf       3.54012091      10.75448531      10.53008557       1.42866968       1.85425150       0.42075142 
Hf       7.25355259      10.85653990       5.01639524      -0.70812764      -0.83983766       1.26086283 
Hf       5.48223712       1.62701957       2.48649788      -0.47894798       0.42475323      -1.61064461 
Hf       5.23059161       1.71526314       8.01486431       0.28210022      -3.37937905      -1.51036386 
Hf       1.38204199       9.00940848       2.41621723       6.31522059      -1.64763529       2.35808446 
Hf       3.50398605      10.55225683       5.42695907       1.19165096       3.62031569      -0.42813670 
Hf       3.75282398       3.61634147      10.29560919      -1.22001228      -1.68563654       4.65579104 
Hf       7.25530073      10.94681328      10.48243863       2.17265597       0.99702690       0.41812107 
Hf       9.36380287       1.65571772       2.50228407      -3.08869182      -0.79690615       0.07598348 
Hf       5.01773077       5.38905087       7.86944556       3.28871460       0.15567018      -1.23094970 
Hf       8.92092037       1.97451377       7.81496258      -0.74846515      -0.78392342       0.19143657 
O      10.88868250       8.84876744       1.39650913      -3.53350226       1.83097034      -0.82434653 
O       5.30278453       7.12206109       3.58360455      -1.07178475       2.15626337      -0.54509705 
O      10.67275289       5.05582533       4.18661514      -0.28183975       2.77296403       0.23888171 
O      10.69969851       1.62114278       4.70429400      -0.01937803       2.76306296      -3.15490809 
O       1.72481546      10.72317196       3.65082596      -2.01819750      -1.55911226       0.12779173 
O       1.71658126      10.75567776       1.12463068      -0.35665832      -0.07155141      -1.12561582 
O       1.96208747       3.71874052       0.67503535       0.85831903       0.86447273       0.85814879 
O      10.92615158       2.12398505       9.49374787      -1.61541207      -1.58734525       2.31782494 
O       1.84741485       0.03013262       9.07957538      -1.32130502      -0.07318342       1.06259048 
O       1.67750778      10.53647208       6.22688858       0.62911564      -0.08263329      -0.48572782 
O      10.90934979       1.32672986       7.21025039      -2.63517475      -0.22173058      -1.12738436 
O       1.63509732       3.65374438       3.69014433       1.25449601      -1.13659416      -1.20490019 
O       1.56386086       7.26838986       0.68946188       2.73688538      -0.38046471      -0.43412162 
O       1.57896459       7.33376727       8.56033289      -0.37136391      -4.16902043       0.87140821 
O       0.21703858       1.73889085       1.51192242      -2.73575899       0.55560132       0.09722451 
O       3.27601426       5.42391582       6.79367820       3.36880983       0.28516391      -0.78895847 
O       3.30533054       1.27211485       7.17251180       2.19742311       1.16111322      -0.67490265 
O       5.73199886       3.56412178       8.74912285      -3.50035658       2.66324838      -0.11176427 
O       0.18160151       5.34741160       1.68635866      -2.11446239      -1.97079367      -0.03066876 
O       1.55296841       7.30753455       5.88017060       4.18411947       0.12172862       1.47859526 
O      10.76313671       9.23796915       6.99513112       1.71275359      -0.38555273      -1.33459892 
O       3.31099468       1.52754863       4.09544181       1.27694597       1.14852008       1.55375881 
O       5.09167753      10.67815244       3.67966212       0.88761994      -0.10971014      -1.74113173 
O       5.50066139      10.95272120       0.77087396      -2.24899683      -0.59336892       1.96546410 
O       3.42243824       1.83340509       1.33683962       1.15563041      -1.45839644       1.40448053 
O       3.82202657       1.75444246       9.60698455       0.22307590       0.73229577      -0.88818173 
O       5.27651050      10.77267380       8.97654285       0.68490269      -1.13752278      -0.66593468 
O      10.59142004       9.29897808       9.35804498       1.78505138       1.05592982       2.70934348 
O       3.48623634       5.28094516       4.37902959       0.42900380       1.58895497      -2.24966674 
O       5.18104397       3.45516578       3.53542946      -0.24834284       1.22093101      -0.33536130 
O       5.57310224       3.51736015       1.14675803      -0.25444836      -0.11098704      -2.40249910 
O       9.00637312       7.27555388       6.27339609      -0.74445535      -1.21055582      -0.76384447 
O       3.58573106       5.42871947       9.53760992       0.81947833       1.17686970      -2.66010405 
O       5.31175322       3.72960909       5.97931408      -0.65784096      -0.05243117       2.58668178 
O      10.42113422       5.34938259       9.71233081       2.32244819      -0.37031144      -0.74535326 
O       8.83084112      10.74058609       6.21982263       1.00736934       0.82686912      -1.65781658 
O       1.63066168       3.26122201       6.42011880       0.50206765       1.49777328      -0.08894068 
O       7.43303016       1.43448990       1.49294009       0.25774005       0.86833528       0.97461120 
O       9.10506531      10.58817454       0.88605682       2.19315013       2.30895211      -1.49814721 
O       7.24623957       8.88114154       4.08524361       0.26786873       0.15903366       1.33070385 
O       6.71063984       1.72340882       4.04772940       1.77857644      -0.66232850       1.70696108 
O       3.52323727       9.24608108       7.08863932       5.47698965      -1.06401846      -2.76046074 
O       9.29629112       7.30966516       8.75566352      -0.54660111      -0.61370060      -0.48625109 
O       6.97097357       1.87267380       9.56667482       0.70563754      -1.27320817       0.28376349 
O       7.47041182       8.74165687       9.27793686      -3.18391949       1.36276550       2.16493479 
O       5.07274424       7.28830721       8.51214143      -1.62596736      -2.37336872       2.42615434 
O       9.36703576       6.91355263       3.49302304      -1.46352057       0.70847036       0.13272430 
O       5.37414128       7.10114860       6.04378428      -1.63671708       0.70956295       1.48218398 
O       7.50357574       8.95086224       1.61304662      -3.22525010      -0.93834838      -1.09992236 
O       9.37158513       7.17572872       0.94614883      -3.67489119      -0.70700705      -0.04076494 
O       6.93725385       5.77263292       9.59305164       0.14354168      -0.87820246      -0.34367638 
O       3.19910226       9.06698368       9.58493299       0.50915383      -0.81149909      -0.52400877 
O       8.51600217       0.06323025       8.64610520       0.18783810       1.69359828       1.74491712 
O       6.98201404       5.41050238       6.88387121       0.01984503       0.37692918      -0.41240034 
O       5.55566051      10.90309676       6.22783063      -1.25812572      -0.48357700       0.24561397 
O      10.61320297       5.41133986       6.80667672       1.85888001      -0.89003270       0.42174726 
O      10.54487544       8.81369005       4.26961828       2.31973069       2.07184858       0.07883525 
O       2.15203635       7.09763216       3.26164704      -1.13163218       1.67098424       0.47043524 
O       3.47712555       8.86864316       4.22709814       1.07590200       2.09566072      -0.49320856 
O       3.79300434       5.60057847       1.34358946       1.23532749       0.17172312       0.77390180 
O       5.25255269       7.66700146       0.63360723       4.70163785       1.22506772       2.83299682 
O       8.80507568      10.94483178       3.48281389       1.21245839       0.00199068       0.28073237 
O       8.59639072       3.84040767       8.82208945       0.14871279      -1.33971304      -1.42133116 
O       7.02080310       5.68962851       1.54517886       3.90512177       0.51091493      -1.70007509 
O       9.02397404       3.83482832       0.83956526      -0.27365695      -0.91327076       1.28459673 
O       8.89505523       3.39261644       3.65341221      -0.63753052      -1.04211852      -1.77058193 
O       7.10394939       5.47324860       4.19400028       0.50227161      -1.71311288      -0.08867862 
O       3.44699447       9.10463956       1.43012451       0.40509767      -0.08538170       1.29536725 
O       9.06192256       3.19434922       6.14141228      -0.09617330       1.36413396       0.48184360 
O       7.17673569       1.95959082       6.71403276      -1.37734366      -0.17496402       0.74350568 
O       1.91368408       3.68493830       8.86091230       0.55607077       2.04660983       0.45924296 
O       7.27130558       8.97297934       6.86905853      -1.78755965      -1.41153565      -1.38531220 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01427271702328413 -0.009119575114449205 0.012666064138338973 -0.009119575114449205 -0.03145837141527712 -0.0017904894646182071 0.012666064138338973 -0.0017904894646182071 -0.019792636335041445" pbc="T T T" energy=-1060.30226131 free_energy=-1060.30227389 config_type=crystal 
Hf       1.67614474       1.80725213       2.43662842       2.83844970       1.85107119       1.40430215 
Hf       3.67122183       7.09510998       0.36836298       0.74190160       0.97124761       1.41376371 
Hf       5.55030127       5.36397926       2.97224573      -0.31315563      -0.37291547      -2.27352559 
Hf       8.98291336       5.37197868       7.84074099       1.84143817       1.46581937      -0.63214712 
Hf       0.12669540       7.34746654       5.34494805      -3.43214485      -0.67565229      -0.47717727 
Hf      10.53517182      10.90975593      10.55087324       2.51816502      -1.65053125      -0.18486691 
Hf       7.38359877       3.74653534       5.36471097       1.53446349      -2.14953190       2.59400573 
Hf       7.13763120       7.49287457       5.28844386      -1.15140571       0.34188251      -0.10551310 
Hf       1.54261521       5.40957671       2.60527621      -0.29136172      -2.32307150       0.14123541 
Hf      10.86763603       3.40360411       5.04944080       2.45374501       2.67643698      -0.45545804 
Hf      10.89635762       3.50816609      10.46494596       0.66402414       2.62425938      -3.34901798 
Hf       1.73547959       5.37060392       7.80207130      -2.11418063      -1.34985931      -1.44321312 
Hf       9.04588703       8.94097533       7.78080862       0.77291095      -1.70135410       0.31235155 
Hf       1.62974762       1.71989775       7.87366920       3.39622454      -0.63351496      -3.26399135 
Hf       7.44488894       7.29422498       0.06028269       0.30507124      -2.53162793      -1.51169974 
Hf       8.83462620       9.00580132       2.56876634       1.28132591       0.50965604       2.48998174 
Hf       5.40203219       9.25332355       2.68660592      -0.18099731      -1.51411727       0.55020493 
Hf       5.11251047       8.77393939       7.70480383      -1.39298561       1.39058957      -2.33188791 
Hf      10.74073673       0.03710282       4.99445050       2.08738734      -1.85484382       0.46220535 
Hf       3.89808257       3.22030037       5.28812074      -2.18887175       5.47784935       2.42826364 
Hf      10.89008673       7.19757499      10.33304113      -2.37295948      -1.70911377      -0.70044737 
Hf       1.70132503       8.71935977       8.08699047      -0.40445095       1.88451735      -2.86182769 
Hf       6.97433224       3.42613304      10.51918255       1.36797963       4.17239305       0.17784924 
Hf       9.15235020       5.62042373       2.70293323       0.87580908       0.91286543       3.75303757 
Hf       3.30024860       7.20212545       5.04442327       2.82544906      -1.28342433       0.31540594 
Hf       3.52639402      10.50997193      10.20331323      -1.02928435       1.38401942      -1.00774404 
Hf       7.30878277       0.21575508       5.22543961      -2.54112514     -10.00792853       2.67702753 
Hf       5.63885873       1.86706236       2.24414647      -5.31376815       2.46509910       0.19196017 
Hf       5.44798954       1.50703626       7.85797750      -0.30260540       1.15191469      -0.42689842 
Hf       1.49089160       9.08943187       2.18329981       0.64394145      -0.17039185       3.19450850 
Hf       3.55556580      10.84387016       5.40318753      -3.55683488       0.45028615      -0.33078604 
Hf       3.60867490       3.56697954      10.43724104      -2.50648408      -0.08411170      -0.21497493 
Hf       7.13989701      10.74348811      10.43990594      -0.03212988      -0.19287580       0.19286612 
Hf       9.27668305       1.88527309       2.27807435       0.35047357       1.23240175       2.20140120 
Hf       5.21903851       5.57728437       8.25656064       1.91558350      -0.77411713      -2.13683896 
Hf       9.33119408       1.58434092       7.88872337      -1.28350653       1.50854620      -1.22298287 
O      10.53048244       9.33332119       1.51405715       1.13925522       1.27786679      -1.02953283 
O       5.45294166       7.18854801       3.55754161       0.86861579       2.45988055       0.30945341 
O      10.80876966       5.61935749       4.25142377       0.91210240      -1.98552400      -0.79011873 
O       0.05188597       1.87808957       3.72580888      -2.45691374      -2.88188502       0.84955300 
O       1.95040607       0.02997386       3.51072607      -0.51774283      -0.84512655      -2.50577570 
O       1.75182934      10.31911523       0.53379454      -1.14691079       0.49446654       1.33752202 
O       1.19053878       3.86269918       1.14242682       3.86575655      -0.29116506       0.30745354 
O       0.12638853       1.64969148       9.10200045      -2.37659956      -0.22923369       3.22180711 
O       1.98703549      10.65403226       8.43048584       0.13794455       2.42170444       1.73711359 
O       1.57610660       0.36629217       5.98649387       1.38958788      -0.40188299      -0.08468685 
O      10.77128074       1.75972226       6.49689706      -1.83612607      -1.07966611       0.26752107 
O       1.81074468       3.46240693       3.61077334      -0.29080220       1.70187089      -0.69676112 
O       1.48029912       7.22863820       1.00563318       0.89118123       0.93715624       0.27082388 
O       1.05076323       7.02095638       8.72545568       3.10299490      -0.55399554       0.26852498 
O       0.07580774       1.84930115       1.20042810       0.11643092      -4.71716918      -0.35780892 
O       3.24538588       5.53143318       6.51911029       2.22361878      -0.56586826       2.70705129 
O       3.53979245       2.14316780       7.13159377       1.41484050      -1.06604867      -0.52219281 
O       5.27525133       3.65654824       9.07030594      -0.76551705      -0.40819287       0.01278520 
O      10.56441996       5.30303082       1.55012943       1.94366169       0.97609621      -1.23068123 
O       1.81377993       7.45316017       6.23972905      -0.17064777      -0.52867395       1.68326578 
O      10.89391629       8.86695988       6.87631750       0.29486383      -0.20420088       0.23462996 
O       3.76027132       1.80097620       4.23434488      -0.42170994      -4.86887661      -1.63654964 
O       5.77096859       0.33843489       3.32655367       0.72907554      -3.26054520       1.72513375 
O       5.19745530      10.80985638       0.73332256       1.65074053       0.23834907       1.81183512 
O       3.31496842       2.46675709       1.35097152      -0.19380553      -2.89745440       2.90885622 
O       3.26629190       1.51405741       9.77488630       0.79485724       0.97637728      -1.51738586 
O       5.11835736      10.40909083       8.85598746       2.42001481       3.42819432      -0.15294205 
O       0.03708124       9.01101331       9.28412411      -2.13092035       2.21534059       3.45353864 
O       3.65541210       5.36252540       4.21550955       1.78273031      -1.18621343      -1.66116130 
O       5.54106372       3.45446843       3.51091792       0.85313546      -1.19988310       1.74355596 
O       5.24307159       3.63638251       1.02145987       3.44191558       0.74561847      -1.15470773 
O       8.87967760       7.38159536       6.24592788      -0.03222671      -0.69607534       1.53896793 
O       3.57968927       5.94315725       9.47493656      -1.36164722      -4.23508315      -1.94689047 
O       5.73181217       2.97851941       6.22279482      -1.41887259      -0.26714553       0.02113776 
O      10.81114327       5.30498526       9.34572650      -1.84441489      -1.80729569       2.26829970 
O       9.13020276      10.30760080       6.32969790      -0.79999819       3.81531495      -1.94224843 
O       1.58247007       3.50152971       6.18006751       0.47166819      -0.02794987       0.97491054 
O       7.36775442       2.10088268       1.50019524      -1.33371884      -0.24640419       1.07859735 
O       8.81022380       0.27151532       0.96117707      -0.17044077      -1.20416615      -0.25350582 
O       7.20421410       9.21683459       4.12833857      -1.18632436      -0.45899244      -0.32821466 
O       7.87557817       1.77214713       4.93075983       2.64623732       8.59178189      -3.11158731 
O       3.23264416       9.17091843       6.89439839       2.76996715       1.60367935      -0.60460006 
O       9.08736820       7.17362594       9.01870756      -0.27940105      -0.99288561      -1.22648545 
O       6.77969375       1.75941013       9.63235066      -0.43860567      -3.10272994       0.09199271 
O       7.82119084       9.00441879       9.75857939      -1.73151658       1.97923886      -1.14126455 
O       5.33839043       7.36733382       8.92332855       3.14804075      -1.01323408       0.38484256 
O       9.17285633       7.52876512       3.84547069      -1.84898977      -0.93936598      -1.93582180 
O       5.06979631       7.51415507       6.11186505       1.42051151      -1.99758623      -0.06386126 
O       7.15765614       8.92241378       1.54936340      -0.56565345       1.97049623      -0.07925006 
O       9.20470816       7.28600755       0.96628282      -0.61891857       0.92313511       1.73820064 
O       7.04618103       5.53994621       9.53676502       0.12429128      -1.49783095       0.54262827 
O       3.56479316       8.61972043       9.46270289      -2.89194297       0.01803038       1.06617271 
O       9.12520321      10.88181572       9.14988728      -0.71497180       0.84641139      -1.40553558 
O       6.85276710       5.17932596       6.88704067       1.25120343       0.81011445       0.40410499 
O       5.38223799       0.13266719       6.23696678       0.07761905       0.54149280       0.11520321 
O      10.86994215       5.69019734       6.87058549      -0.20617377       0.16120101       0.08517784 
O       0.22274282       8.98559955       4.17171169      -0.19770965       3.49805620      -0.91924738 
O       1.75088964       7.18525781       3.66285140       0.55225679       0.62300692      -1.07403042 
O       3.83634332       9.15460330       4.54054192       1.37723313       0.56611004      -2.98923837 
O       3.29757238       5.31929544       1.45246390       1.16122456       1.04416876      -0.13356281 
O       5.65336360       7.30900167       0.83316820      -2.99319245      -1.31231899       0.90700673 
O       9.01266350      10.92848970       3.66657516       0.78605057      -0.02719188      -1.11991116 
O       9.02740502       3.52336524       8.41512864      -0.47784586      -2.13439665       2.87616994 
O       7.55118372       5.37627365       1.77187481      -4.33358300      -0.48391769      -2.28857962 
O       9.21833370       3.03835561       0.61587275      -3.18650755       1.31816824      -1.10703513 
O       9.21688028       3.69125652       3.46023789      -0.45347132      -1.64270075      -0.77549263 
O       7.28069958       5.24088039       4.29490690      -1.36892767       4.71785740      -1.92896610 
O       3.61229312       8.61722630       1.83226422      -0.51441291       1.63540633       0.10225206 
O       9.34940613       3.79839524       6.16260120      -3.74797724       1.15346174      -0.40180880 
O       7.41445175       1.45750900       7.34143744       0.04428985      -1.44597792      -0.68785811 
O       1.82733448       3.68221464       8.93287382       0.89629886      -0.91097257       0.69556038 
O       6.88685801       8.95221684       6.73234036       2.23125991       0.34833785       1.44646119 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00047382790395539395 0.0007134642867458824 -0.0031745848079223205 0.0007134642867458824 -0.005393391232787611 0.00935456000008061 -0.0031745848079223205 0.00935456000008061 0.005596817612731452" pbc="T T T" energy=-1062.90536343 free_energy=-1062.9053742 config_type=crystal 
Hf       1.83628882       1.95462074       2.36795509       0.73563032      -2.13307269       1.13525287 
Hf       3.56038743       7.04847423       0.54620263      -0.22054767       1.55981512      -3.11630456 
Hf       5.77899211       5.36740718       2.95099092      -1.51633567       0.26664728      -2.78625566 
Hf       9.24782835       5.44848300       7.78355548      -3.45909894      -0.38403311      -0.34905207 
Hf      10.94742572       7.32846161       5.29221630      -2.05698034       0.50031517       1.32023938 
Hf      10.39841005      10.69951489      10.54289872       1.48624562       0.42682276      -0.22539094 
Hf       7.34070187       3.76992947       5.37023911      -1.53876351      -0.32293946      -0.55451942 
Hf       6.97956275       7.55770090       5.25125777       1.12767035      -2.87928706       1.80965943 
Hf       1.49859049       5.40211546       2.51904196       1.53697441       0.57123716      -2.25084780 
Hf       0.01427413       3.44934256       5.03284691      -1.70205625       0.88838610       0.14502367 
Hf      10.92671319       3.53324273      10.54341572       0.31720753      -0.84909386      -0.01715554 
Hf       1.72619164       5.08514030       7.75406978       3.59784457       2.33162362       2.72710927 
Hf       9.01406872       9.00826708       7.86417368      -2.13938951      -0.90207404       1.54508066 
Hf       1.60640389       1.68524721       7.86002486       3.11148623      -1.22174299       0.93795424 
Hf       7.46471272       7.29064347       0.09460023      -2.88228185      -2.59803662      -0.79089085 
Hf       8.71447274       9.07477208       2.62197649       1.96292076      -1.70490582      -0.79107864 
Hf       5.41364807       9.22304566       2.58836101      -1.75714204       0.60759562      -0.71310765 
Hf       5.26357366       8.70195978       7.82160485       1.38017023       1.25174974       0.87789332 
Hf      10.70463211       0.09863983       4.86282011       1.61648093       0.62604779       1.59311099 
Hf       3.90259348       3.25429651       5.30349622       1.43297689       0.10682985       1.49495888 
Hf      10.76279861       7.08389805      10.32033607       0.82665871      -0.47837395       0.33076442 
Hf       1.65896125       8.78115238       8.02297190       0.91682808      -0.68236430       1.48143479 
Hf       6.98870082       3.50706205      10.35075797       2.38521553       0.36359310       0.94493984 
Hf       9.12361108       5.60825895       2.75514968      -1.54651625       1.39981539      -1.17135614 
Hf       3.40854220       7.28754193       4.90943062       3.65116191       0.83691945       0.95749079 
Hf       3.48189776      10.57915195      10.28940069      -2.64385977       1.12783611       0.46469659 
Hf       7.27944644       0.03806454       5.24553501      -0.06141761       3.02939137      -0.34295526 
Hf       5.60800981       1.99143246       2.25292454      -1.05461205      -1.18819149       3.09604453 
Hf       5.64979381       1.37264941       7.82799724      -3.94225366       3.81181870       0.79400393 
Hf       1.45343468       9.07254889       2.28647147      -0.25327265       2.17680710      -1.21099253 
Hf       3.59218130      10.95447131       5.48962266      -1.67672967      -0.89358281      -0.20108472 
Hf       3.60309271       3.68453194      10.50314307       1.37242672      -1.16071676      -0.90246454 
Hf       6.97233157      10.83735605      10.37929779       0.20857112      -2.68692156       0.33246302 
Hf       9.25341109       1.77042616       2.21959667      -1.21788525       0.94453763       1.55936056 
Hf       5.37115292       5.56716552       8.21342434       2.09404478      -2.14262661       0.50068834 
Hf       9.24149523       1.67202156       7.95442473      -1.23398351       0.34410791      -1.13282028 
O      10.39052512       9.27315478       1.39076288       1.15929860      -0.39092460       1.78066519 
O       5.51893611       7.31965134       3.51943228      -0.36222092      -0.08046507       1.21925634 
O       0.00251342       5.47879212       4.05262544      -0.54132982       2.55094279       1.03546895 
O      10.76845180       1.83137965       3.88105063       1.18988593       1.36364268      -1.84572989 
O       1.40549353      10.81310089       3.27467543       0.35894897       1.24036511      -0.30108242 
O       1.68829287      10.47833801       0.65116677       0.77984710      -1.36677145       0.23183526 
O       1.89230093       3.79362883       0.94430640      -3.44344626      -1.72310021       1.93671109 
O      10.75691896       1.70244736       9.47330043       0.44990646      -0.15646178      -2.88663066 
O       1.87525646      10.67037094       8.61603119      -0.94273046       0.74636778      -0.50936717 
O       1.63506544       0.65495483       6.03315475      -1.02445809      -1.59614985       0.31366008 
O      10.47538252       1.90339366       6.36075605       1.02726990      -0.03744533       1.68491023 
O       1.62481720       3.84192770       3.63592889       1.15602853      -3.62676701       0.14371186 
O       1.37587672       7.34524127       0.90092701       0.81292291      -0.05520527       2.01334854 
O       1.70355753       6.89441918       9.07132154      -3.29394469       0.94595865      -1.92719512 
O       0.10600171       1.23298200       1.12944083       0.06191427       3.81924628       3.33116904 
O       3.77594530       5.12375998       7.14663147      -2.80307692      -0.53209769      -2.41252238 
O       3.64855091       1.78594556       7.13919478      -1.54665421      -0.16266665      -1.18052628 
O       5.09568227       3.49761141       8.99837832       0.88240423       0.72859859      -0.35329896 
O      10.82734687       5.25636724       1.43765186      -1.10011282      -0.17767387      -0.62153991 
O       1.83145481       7.79548379       6.21297553       2.23646352      -2.02262565      -2.49913020 
O      10.76487488       8.59134253       7.07903549       0.43035297       0.47745598      -0.69093651 
O       3.21480911       1.48052438       4.23872180       0.80472049       3.35274359      -0.49871462 
O       5.80659531       0.12741094       3.25298143       0.71031000       1.61983418       0.15459628 
O       5.17728431      10.76972313       0.86192007       0.80855900      -0.41628839      -0.70541598 
O       3.68928389       1.95919147       1.67181128      -1.70178579       0.25883702      -0.01895472 
O       2.96153422       1.58431846       9.80852124       0.94975098       0.01701764      -0.42786873 
O       5.55497609      10.55151368       8.79730847      -1.35615483      -1.81304446       0.31985707 
O      10.66309441       8.98679672       9.55140509       1.44383788      -0.62909352      -1.40952808 
O       4.24399493       5.13607299       4.44572614      -1.93141366       1.24806603       0.24291182 
O       5.68864455       3.20022109       4.00505131      -0.92361836       0.93659713      -3.13866221 
O       5.48176174       3.73611619       0.99630166      -2.86050851      -1.28994922       0.99577459 
O       8.71365389       7.01977598       6.59871257       1.33534666       2.03617768      -1.33937205 
O       3.46834990       5.42290677       9.52264142       1.65464295       1.38144252       1.53827228 
O       5.70239970       2.81982581       6.29115853       0.20949635       2.03466252      -0.25457198 
O      10.57771660       5.09275417       9.42226465      -0.13150335       1.63147153      -1.44116443 
O       9.00264085      10.84221405       6.23470536       2.72328323      -2.38167037      -1.53750825 
O       1.59168352       3.64131556       6.38186716       0.05240490      -1.29931124      -1.39081593 
O       7.39932304       2.07540439       1.61327578      -0.89952317      -0.17523266      -0.74145657 
O       8.65876520       0.12476616       0.88090367       0.49894063       0.44679761      -0.42172171 
O       7.01639463       9.25399899       4.20392819       1.33390398      -0.20235477      -0.53026208 
O       7.99534106       2.11945639       4.29126339      -0.84338239      -2.78511308       1.82076516 
O       3.62486392       9.51136967       7.03391602      -1.51381784      -0.69269578      -0.29996257 
O       9.00933595       7.22305930       9.23446617       1.38741446      -2.98814571      -1.77810984 
O       6.43504747       1.66380139       9.70273516       1.40185018      -1.02352925       0.72957239 
O       7.62302692       8.85590002       9.60578305      -0.09924581       4.85570352       0.01601721 
O       6.03101210       7.35769517       9.07042307      -3.36631726      -0.78244449      -1.77741947 
O       8.87346281       7.40801564       3.89488204       1.52962020       1.53661681       0.32827023 
O       5.18331921       7.22319581       6.27590474      -0.71318036       1.50400356       0.10630473 
O       7.21901402       8.98898792       1.35995695      -1.41963844       0.55146285       1.41048920 
O       9.09246810       7.20064058       1.35438672       0.44702201      -0.36107016      -1.07988234 
O       7.06840922       5.24784566       9.58846501       0.10956103       2.13559545      -0.76317054 
O       3.31357920       8.63161591       9.63205868       1.41131550       0.80263628      -1.05285299 
O       8.88718739      10.82690414       8.82572712       1.07153810       0.53912019       1.72691713 
O       6.97863981       5.49760554       6.81993055      -0.68742338      -2.20422255       0.54434784 
O       5.45685536       0.29834196       5.99329674       0.24337108      -0.91851262       0.00164457 
O       0.08590457       5.88510294       6.79552573      -0.31248273      -1.10794625       0.52180618 
O       0.12549024       9.15523503       4.47194863      -0.09156424      -2.44739691      -0.72640510 
O       2.16009438       7.24712558       3.40069689      -1.24487436      -0.64225843       0.88796907 
O       4.12015203       9.34194839       4.21346761      -1.80315025      -1.21598230       2.03092493 
O       3.56109595       5.39816472       1.51388518      -1.05142683      -0.96023883       2.66036257 
O       5.46246319       7.06592901       0.98673110       0.72364607       0.88540606       0.08332646 
O       9.33192496      10.79223267       3.31303783      -0.86841295       1.46850216       1.22067498 
O       8.53736582       3.32808067       8.74506598       0.39234375       0.14418882      -2.58734968 
O       7.18271175       5.17834113       1.52504860       2.74245593       1.16278094       1.93202942 
O       9.02983528       3.28943996       0.35775556       1.94974072      -0.55503490       2.15076264 
O       9.18058272       3.80342415       3.20303820       1.15353169      -2.27750466       0.08014015 
O       7.32267344       5.74375641       4.20881158      -0.39568714      -3.04929392       0.39895803 
O       3.43717417       8.80010440       1.78603594       1.01664990       0.09925847      -0.58537174 
O       9.13837648       3.98201068       6.10548042       1.86893557       1.08724845       0.59464694 
O       7.39230288       1.07325283       7.26486091       1.89051161       1.11564391      -1.39055840 
O       1.77059368       3.61791464       9.05168276      -1.34306779      -1.19274831      -0.82178131 
O       7.10794581       9.08977534       6.95285172      -0.68009980      -0.37867855      -1.72915420 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0173348962901057 -0.007090890768539169 -0.003477726617442351 -0.007090890768539169 -0.04058585755516225 -0.008985158023846257 -0.003477726617442351 -0.008985158023846257 -0.0263182381596265" pbc="T T T" energy=-1059.91796619 free_energy=-1059.91797258 config_type=crystal 
Hf       1.95702032       1.98781775       2.41163921      -4.78877072      -4.91240791       4.58658609 
Hf       3.46169523       7.05300859       0.59811806       0.82567773       3.56175462       1.86161783 
Hf       5.86945350       5.36962029       2.84432795      -4.56176723       2.12044938      -0.18926597 
Hf       9.34223357       5.46361214       7.69976686      -1.63201966       1.60805158      -0.45521710 
Hf      10.75798608       7.31806546       5.29952969       1.24723763       1.30479439       1.17920249 
Hf      10.37281793      10.55865042      10.54476943       4.82873629       3.00180892      -0.56128651 
Hf       7.26220312       3.76758785       5.35549563       2.09928632      -4.87707217       0.79365156 
Hf       6.88477889       7.52380183       5.27496097       3.50205358      -1.05169515       0.88665363 
Hf       1.50899574       5.38040932       2.40928191       0.48377913      -0.04410571       3.32036451 
Hf       0.05032814       3.52653448       5.01590344       0.06299659      -0.01720463      -0.80118365 
Hf       0.02015433       3.52919591      10.58019429      -1.89409932      -2.30888275       0.88841395 
Hf       1.80892314       4.93520974       7.77274578      -0.31572931       1.98406100      -0.35836475 
Hf       8.93566791       9.02247603       7.95093799       1.72817378      -0.48093143      -1.39260760 
Hf       1.68023429       1.63109236       7.86362618      -0.71744004      -2.40771004      -0.08335336 
Hf       7.36978238       7.21589769       0.06838390      -0.43002550       1.17653458       0.09971722 
Hf       8.69767084       9.10097160       2.64985115       2.62956173       0.58405583      -0.09722868 
Hf       5.33421291       9.20993001       2.50387693       0.78526409       1.14009384       0.51320569 
Hf       5.40144188       8.70794066       7.91688948      -3.11975778       5.15407186      -1.77673583 
Hf      10.76002641       0.14557511       4.78528007       4.03444540      -0.52071230      -1.28360050 
Hf       3.92425634       3.31799129       5.35835568      -0.72880130       5.04166850       2.21744187 
Hf      10.69946099       6.96745757      10.33250575       1.91957305       0.22566201       0.07703489 
Hf       1.65777372       8.83119654       7.96901803       1.49921850      -0.36913221      -0.19855496 
Hf       7.08405111       3.59991043      10.25626202       1.43333259      -3.12501941       2.26866014 
Hf       9.05924590       5.63182049       2.77950348       4.63062226      -0.96107460       1.46633406 
Hf       3.63793082       7.34907127       4.81917021      -1.72398541      -4.43457174       0.05785370 
Hf       3.38917188      10.68708914      10.36692766      -1.41194504      -0.85984686       0.00662626 
Hf       7.27752771      10.93058602       5.23390210       1.69734083       1.43583992      -2.06766677 
Hf       5.51856185       2.04130757       2.37728916       0.63535013      -3.54592219      -0.26658660 
Hf       5.69298740       1.38945263       7.81093971      -1.22672821       2.74081300      -1.65007318 
Hf       1.41779514       9.12965430       2.37658318       0.89009683      -0.11293742       1.32360371 
Hf       3.52920818       0.05997479       5.52457761      -1.32933998      -1.74069734       0.25742929 
Hf       3.60635836       3.69948338      10.54523763      -0.32430995      -3.44200936      -1.12904040 
Hf       6.85312492      10.82296228      10.37385245       2.43863744       0.39753177       3.44842370 
Hf       9.18059466       1.72330233       2.22975555      -0.26069038       1.92595884       0.57673942 
Hf       5.55155015       5.46913002       8.15142549      -2.24037507      -5.18301521      -3.08090796 
Hf       9.14552724       1.74828814       7.96556700       1.27491338       0.63783806      -0.64818086 
O      10.57418077       9.14387125       1.71517941      -1.64138390       0.29746992      -2.19202158 
O       5.57300824       7.29678091       3.82670317       0.83779801      -0.03626047      -2.14783917 
O       0.01211964       5.78107462       3.98591486      -0.82023701      -2.17658403      -0.58229994 
O       0.14579445       1.91928698       3.91071224      -1.37173877      -0.97841385       1.84610672 
O       1.13076273       0.03749077       2.82920267       1.74026728      -0.43118104       3.45387937 
O       1.73705638      10.38516895       0.71626184      -0.32408027      -0.35116692      -1.51632097 
O       1.75482931       3.30579727       1.06226789       1.88301114       5.06341362      -4.49296654 
O      10.76544843       1.69404805       9.21081016      -0.89107498      -0.52783385       2.17055978 
O       1.51393065      10.74405969       8.80041777       0.74674376      -0.49495001      -0.18923898 
O       1.58428449       0.25628155       6.24686823      -0.61259453      -0.40191967      -2.04757949 
O      10.54370008       2.03364724       6.65492712       0.44556709       0.05509862      -1.37491167 
O       1.65063534       3.54489115       3.48767230      -0.30687651       5.77480807       1.23468448 
O       1.55000788       7.23479416       1.15007311      -0.84250118      -0.34558805      -1.83527777 
O       1.38294718       6.81415728       8.87131692       0.24991848       0.71980951       0.82150488 
O       0.11144772       1.71072824       1.47734331      -1.93641446      -0.26965697      -2.95075428 
O       3.65755367       4.79206434       7.06337079       0.47386226       0.73119152       1.67464518 
O       3.62138342       1.55246531       6.84658213       0.88960634       2.04802530       1.75013505 
O       5.17979543       3.48402400       8.96425785       0.29430681       1.63951827       0.79836647 
O      10.77549837       5.26090368       1.21181931       0.21025244       0.91824719       0.04923516 
O       2.19775366       7.47464456       6.00205462      -2.59167895       0.78884805       3.01284631 
O      10.84295928       8.58743967       7.11097617       0.58294889       0.98437507      -0.20546022 
O       3.18674838       1.97369689       4.29483728       1.00346956      -3.83408434      -1.12689330 
O       6.05835312       0.42129929       3.46304778      -2.14217410      -1.87405564      -1.16840298 
O       5.33217159      10.60682593       0.86560875      -2.77975276       0.46160217       0.44276950 
O       3.61966278       1.51646543       1.72751553       4.06220666      -0.43032803      -2.21180047 
O       3.20743868       1.60365766       9.55975087       0.46958541       0.86299954       0.20614716 
O       5.50464412      10.59776772       8.68001714      -0.84023569       0.11634117       1.02645654 
O      10.75904125       8.94436829       9.54326604      -0.76519086      -1.41898466       0.36136087 
O       4.22582134       5.35128016       4.59370914       0.62507973      -1.45311105       0.25937434 
O       5.66104485       3.53659833       3.61803475       0.47877454      -0.33308025       1.44647663 
O       5.18351773       3.70326791       0.97530088       1.94349768       0.51652461       0.89349923 
O       9.08312253       7.27782812       6.57744596      -2.57191647      -1.50671201      -0.41994287 
O       3.60921777       5.59727447      10.07674044       0.36318245      -2.77810625      -3.53479234 
O       5.67994395       3.20222735       6.33597857      -0.78726097      -2.15407279      -0.28015584 
O      10.45887972       5.24489631       9.30151730       0.49270727      -2.32388072       1.13741851 
O       9.42457898      10.49964305       5.87327928      -4.38232654      -1.40239850       3.28448626 
O       1.62216388       3.39345293       6.28315531       1.63908400       0.44953805       0.22595193 
O       7.25552094       1.99788357       1.40420973      -1.41330259       0.61992622       0.59777607 
O       8.75190961       0.04772521       0.78252707      -0.99821986       0.07471650       0.61113045 
O       7.25622585       9.14380584       4.13608647      -1.34873422       0.44637857      -0.19283838 
O       7.78407421       1.71141540       4.42182258       0.49569839       3.66136806       0.59077479 
O       3.49656916       9.64176053       7.13387954       0.72724210      -0.70237345      -0.76421580 
O       8.98942901       7.13462893       9.20561736      -1.10445408       1.27936194      -0.77735223 
O       6.48568544       1.60241163       9.78157332       0.25551087       3.04931283      -2.82318684 
O       7.44083829       9.31182716       9.46724275       0.72043552      -6.30324745      -1.81760284 
O       5.93532064       7.16665244       8.76555061       0.83254446       1.57497100       4.33919486 
O       8.97289991       7.48470458       3.94964552      -0.58296356      -1.79266944      -0.78769472 
O       5.23171701       7.34539159       6.45568609      -0.65077727      -0.67862605      -1.13591152 
O       7.13875091       9.13878492       1.38121549       0.03433128      -1.27651907       0.93710647 
O       9.02660994       7.25281941       1.22645990       0.26186209       0.11290071      -0.15271307 
O       7.12964318       5.48497525       9.68800676      -0.66321036      -1.24130350       0.27994160 
O       3.36310514       8.66377757       9.45410106       1.19598919      -0.09497387       1.07773009 
O       9.00384349       0.00487904       8.82342541       0.37659067      -2.37591223       0.28035615 
O       6.95905301       5.09347179       6.87226201       1.23237833       2.33292480       0.99765466 
O       5.48944836       0.20398637       6.04018977      -0.97151049      -0.34929550       0.43077076 
O       0.29977544       5.74167630       6.82772809      -0.91083721       0.12187607      -0.78865997 
O       0.04248441       9.00234679       4.23765103       1.37027315       0.50119704      -0.12305609 
O       2.05322627       6.96719320       3.49954330       0.47471474       2.46710661       0.65026330 
O       3.93780399       9.16370117       4.30121755       0.71951922       4.10482269      -1.67320167 
O       3.52802110       5.57623851       2.24198135       0.94748663      -0.38817016      -3.37349850 
O       5.60726809       7.04894523       1.25646961      -0.61366744      -0.02801388      -0.77683231 
O       9.21360871       0.03734385       3.34088166      -0.22019187      -2.23664366      -0.13509895 
O       8.11840203       3.39139540       8.50429170       0.92565652       0.42873471       0.39011895 
O       7.57671098       5.37419639       1.68995052      -3.81174466      -1.07785096      -1.43559806 
O       9.14597929       3.33525072       0.70394421      -1.21500885      -0.20678847      -3.25860805 
O       9.50584160       3.51309092       3.06182110      -0.99634703       3.85448809       2.40403016 
O       7.34716887       5.37629666       4.39339235       0.23843499       3.45850260      -3.10003480 
O       3.65746613       8.96820154       1.50011010      -0.70390424      -0.62458183       1.04666801 
O       9.44443607       4.42631899       6.09867807      -2.37197551      -2.59851084      -2.43842766 
O       7.55472448       1.17938963       6.83842203      -1.15245075       0.99480640       2.69783988 
O       1.24561788       3.32674174       8.92539897       2.96983964       3.53294336      -0.29362001 
O       7.11563101       9.06773625       6.71197180       0.27024422      -0.19177615       0.91242634 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0006481813031833252 0.0010995118310491827 0.003473826329597132 0.0010995118310491827 -0.018612959372175608 -0.005198992790096267 0.003473826329597132 -0.005198992790096267 0.011836407880256593" pbc="T T T" energy=-1061.77962525 free_energy=-1061.77964356 config_type=crystal 
Hf       2.11654757       1.73356415       2.53330077      -1.53540040      -0.04597488       0.70840259 
Hf       3.49168881       7.12896632       0.15017363      -1.50611815       1.26978136       1.23626486 
Hf       5.65897482       5.23655868       2.57336136      -1.87447904       1.39718540      -0.05004958 
Hf       8.90169007       5.61881593       7.49384752      -0.93357029      -0.99277075      -0.01904058 
Hf       0.09308612       7.33401729       5.13425310       2.08033873      -0.04167047       0.58859427 
Hf      10.92206730      10.75497033       0.11574269       0.58641832      -0.53837275       0.09356056 
Hf       7.23959705       3.53980428       4.99310763      -0.85394380       0.58683280       0.16276618 
Hf       7.19643907       7.43958163       5.16444095      -1.05987595      -3.06914689       0.50618052 
Hf       1.62019607       4.84071862       2.34191159      -2.84678650       3.59449787       2.67820662 
Hf      10.67180399       3.51589544       5.11519371       0.89166067       1.90241033      -0.01005898 
Hf      10.87815072       3.37042189      10.17194110      -0.28353897       0.32055546       0.96377407 
Hf       1.54102922       5.66103587       7.94254363       1.08999880      -3.47060901      -1.32686694 
Hf       9.16629248       9.10489856       7.86874096       0.85577954      -1.21175371      -0.16640584 
Hf       1.82886426       1.67377321       8.11424620       2.77873151      -0.43074528      -0.22487740 
Hf       7.24667025       7.21457508      10.39365396      -0.86602345       1.15496879       1.61186607 
Hf       8.99514059       9.06513080       2.66852875       1.62042833       1.80034869       0.10870627 
Hf       5.49627187       8.96798505       2.68769337      -1.36229722       0.43603365      -1.36644558 
Hf       5.27998882       9.10981562       7.98799366      -0.95711100       2.18045144      -0.82745124 
Hf      10.77716718      10.92270154       5.09027402       0.17765497       1.24945587      -0.19691530 
Hf       3.52653229       3.75229798       5.50381174      -1.66075998       1.07883444      -1.90235200 
Hf      10.69759748       6.97940608      10.37366081       3.34285146       1.60790307       0.33984498 
Hf       1.80457339       9.04516021       8.04327360      -1.73041527      -1.54767693      -0.71166112 
Hf       7.27267552       3.72391668      10.19939102       0.40756785      -4.07607866       3.10796780 
Hf       9.18761833       5.52373944       2.50004231      -0.26733107      -2.08159079       1.48515568 
Hf       3.62741733       7.21539120       5.10965462      -4.62364189      -0.61621987      -1.91652012 
Hf       3.38546294      10.79962468      10.53996990       5.07660459       1.83220570      -1.29231702 
Hf       7.35644498      10.75113365       5.42494806      -1.96401867       4.32809014      -0.30250386 
Hf       5.41298764       1.54327848       2.63302895      -0.20359625       2.69529263       1.82375954 
Hf       5.46267792       1.76109209       7.62492307      -0.26225840      -0.07603511       0.03937697 
Hf       1.73397807       9.23955197       2.72868326       2.97841201      -3.07124025       3.96388640 
Hf       3.17252980       0.05771577       5.33672822       2.18977268      -0.61562341       0.87058624 
Hf       3.59039525       3.51762922      10.57259912       1.83330849      -1.82917416       0.78102151 
Hf       7.25569777      10.87460590      10.39575786      -0.54897264       4.35203119       4.62251900 
Hf       9.01611782       1.76593092       2.46402403       0.28968487      -1.51087772       2.46327626 
Hf       5.32424163       5.55746310       8.15954976       0.10694405      -1.04055612      -2.73749230 
Hf       9.16540044       1.48923933       7.88647151      -3.08844167       5.53656445      -1.27860128 
O       0.06376973       9.33300741       1.93148200      -3.96924268      -0.74704308      -4.09875735 
O       5.07159879       7.03835790       3.63461227       2.44983307       2.60205839      -0.18499843 
O      10.79365662       5.59928237       4.05589832      -1.39451093      -0.13182726      -1.27420610 
O      10.66481176       1.79623478       4.09669880      -0.71561720      -2.68876563      -0.17935124 
O       1.58689585       0.02094984       3.94705981       1.37605831       0.86062705      -2.29571906 
O       1.96116322      10.85295225       1.26404766      -0.08491143      -0.29225779       0.56521158 
O       1.91722681       2.88563971       0.78267821      -3.76454698       1.15018238       1.38175475 
O       0.21196168       1.59484082       9.16756341      -3.22546865       0.04381670       1.93278267 
O       1.89747797      10.68697082       9.26834663      -2.00025669       2.33545397      -1.05677549 
O       1.40838745       0.25071908       6.38679349      -1.29529501       0.41530248       1.17397128 
O      10.24284679       2.14460523       6.48512821       1.86990183      -1.53343870       0.43285568 
O       1.17913610       3.47132490       3.72587669       3.07627725      -0.28331145      -2.55966240 
O       1.44047165       6.74104548       1.03478034      -0.31053297      -0.87824931      -0.77631226 
O       2.04021525       7.20191674       9.16310784      -1.46279879       0.01828948      -1.53115639 
O      10.75874620       1.17285481       1.51254518       1.41826297       1.45789395       0.33697270 
O       3.52711000       5.46950351       6.67601389       2.20659055       0.81005919       2.81587591 
O       3.04634155       2.04270457       6.59604353       1.96396410       0.88643592      -0.52540236 
O       5.87664688       3.67473202       8.68038628      -2.86683370      -0.35892964      -1.87235680 
O      10.60699739       4.42304073       1.35231013       0.47377341       2.01436688       0.77688636 
O       1.82400747       7.81258292       6.24615683       0.69093310      -2.10716960       1.15237040 
O      10.82706552       9.00891787       6.88645055       0.83493860      -0.16745516       0.61519344 
O       3.53953520       2.23669643       3.95229267      -1.21604953      -1.90732747      -0.17753133 
O       5.17020739      10.80410339       3.65732963      -0.69317541      -1.53130530      -1.67972754 
O       5.40650859      10.32644392       0.52623307      -1.36074780      -0.87732518       1.26360350 
O       3.85073797       1.67460904       1.36623891      -0.68298768      -1.59390868       0.60811618 
O       3.47720882       1.89991403       9.42571249      -0.09527271      -2.24693722      -0.55841933 
O       4.88645335       0.14025291       8.72716026       2.07118126      -1.53436540      -0.33786928 
O       0.00518558       8.92782999       9.46176106      -0.63643783      -1.11287914       1.32573128 
O       3.16602851       5.43952702       4.15425739       0.61199875      -2.15527381       1.13096624 
O       5.57227123       3.55154188       3.43580809       0.29757773      -1.90450866      -0.42043680 
O       5.66528055       3.18176176       0.57370548      -0.96991661       1.32338097       0.48866599 
O       8.81891672       7.52695749       6.22902086       1.07988332      -0.57809229       1.04074184 
O       3.60987480       5.31573989       9.82111416       1.78106182       1.61641867      -1.67027707 
O       5.45188605       3.31496831       5.99899580      -0.91802338       0.48680305       1.27547863 
O       0.16749467       5.22849463       9.53384513       0.28160233       1.60534850      -0.48493686 
O       9.14018641      10.61222099       6.30722819      -0.42878227       1.26530913       0.80451883 
O       1.28601835       4.45768262       6.40029837       1.40638793      -3.71719867      -2.57384399 
O       6.94798602       0.84130675       1.84162306       3.99314271      -0.45841433      -2.35312467 
O       9.11942699      10.47344046       0.82493603      -2.63060187      -0.54786821      -0.41574374 
O       7.22077640       9.30485159       4.07496632      -1.36530793      -2.49608663      -0.17242263 
O       7.13066702       1.79154166       4.16106090       1.11945362      -2.06099525      -0.04552693 
O       3.26053036       9.87232834       7.04564034       2.15230000      -0.70246020       0.67348133 
O       9.06059841       7.08070854       9.13201653      -1.13595297       1.15261022      -2.84468129 
O       7.27576949       1.83536314       9.41989959       0.82031350      -2.94350381      -0.71594493 
O       7.22112611       9.24353403       9.55747829       0.38503467      -4.45977885      -2.42163982 
O       5.53530963       7.36326750       9.01010424      -0.21958702      -0.08835914       0.68620118 
O       8.68962957       7.20276977       3.72857827       0.66395111       0.33988661      -1.87588044 
O       4.95203312       7.90662025       6.39158993       1.91416726       0.49122105       0.66948576 
O       7.39632767       8.62591375       1.54161028      -2.27995957      -0.15210832       0.42769789 
O       9.02997629       6.89470579       0.80125452       1.33782352      -0.54577856       2.84432017 
O       7.17079721       5.37819917       9.25351450       1.02127306       4.37597075       0.03075492 
O       3.39035885       8.92185886       9.63593444       2.37842938      -0.10669365       0.70665701 
O       9.41968679      10.89662210       8.83199940      -0.35877652      -3.62215207       2.86648281 
O       6.79395890       5.99831293       6.68043322       0.13021785      -0.37416542       1.60243922 
O       5.18599083       0.40057667       6.06220976       0.87092737      -0.49216327       0.36177388 
O      10.76664493       5.92028287       6.95640298      -1.78937197       2.92051065       0.73784060 
O      10.73596156       9.06681452       4.18864348      -0.22443325      -0.53765773       1.03989233 
O       1.71276408       7.37026280       3.72963479      -1.69260181       0.30457620       0.49344018 
O       3.31773416       9.15749963       4.35064347       1.03897903       0.91060797       0.59892710 
O       3.37209925       4.66518838       1.84398099       4.21377028      -0.17424347      -2.39240282 
O       5.50685602       6.76285044       0.99895349      -0.76924511       0.80127716      -1.42721896 
O       9.14868816      10.80908234       3.74804103      -1.93263860       0.36865187      -1.27640600 
O       9.40358158       3.68241174       8.60273006      -0.88555374      -0.71100610       1.55374848 
O       7.33646266       5.07888223       1.51289487       2.22895167      -0.16332095      -0.40021810 
O       8.92107573       2.70034099       0.80931364      -0.95364154       1.59125247      -2.88197545 
O       9.12049574       3.54261164       3.66376868      -1.98313442       1.33670454      -2.14546214 
O       6.87226713       5.41802094       4.23257016       1.34299209       1.19836468      -0.27054367 
O       3.32620873       8.19382642       1.98037136       2.38029480       1.65004677      -2.56036408 
O       8.92301888       4.20273146       6.05039052      -1.61198717       0.92227815       0.27042481 
O       7.27922425       1.59392555       6.80248336       2.07156810      -0.35167338       0.33506027 
O       1.95142904       3.57434208       8.87180011      -1.65081374       1.39885653      -0.07124124 
O       7.22542382       9.37115292       7.00000260      -2.19555903      -0.30475115      -0.34260844 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0020696083234221165 0.00043100544661249377 0.00276402276285169 0.00043100544661249377 -0.02156797526651314 -0.003322291769144757 0.00276402276285169 -0.003322291769144757 0.007481381181317511" pbc="T T T" energy=-1061.71270359 free_energy=-1061.71272003 config_type=crystal 
Hf       2.11951752       1.74660519       2.54157534      -1.59347885      -0.38232484       0.98277424 
Hf       3.49489618       7.11584356       0.14533956      -1.53665074       1.20465397       1.33858696 
Hf       5.65940550       5.24233184       2.57274913      -2.20113603       0.92860189       0.27378396 
Hf       8.87781202       5.62672200       7.50622924      -1.42402473      -1.23854223       0.23862491 
Hf       0.07521546       7.32862211       5.13749048       2.13631690       0.27166488       0.55881477 
Hf      10.91984126      10.76289064       0.11285745       0.37574197      -0.95624049      -0.14945840 
Hf       7.25102767       3.54899110       4.98489258      -1.33715029       0.17275090       0.69297597 
Hf       7.19318437       7.44423585       5.16093274      -1.57507902      -3.19139462       0.56490253 
Hf       1.60371441       4.84079323       2.34851805      -1.04033003       3.88600362       1.72876489 
Hf      10.67461322       3.50068818       5.11091989       0.82060133       1.93464639       0.13044005 
Hf      10.87375857       3.36295888      10.18187666      -0.46855760       0.81930841       0.69787590 
Hf       1.54082894       5.66457411       7.94803755       0.81319019      -3.64263907      -2.30307942 
Hf       9.17797333       9.10179593       7.87485646       0.55284884      -1.02669120      -0.06737317 
Hf       1.84175937       1.69055473       8.11012895       3.35415118      -0.80516637      -0.85988883 
Hf       7.26429253       7.19965005      10.41133509      -1.45499958       1.68549911       1.14616715 
Hf       8.98452850       9.06307162       2.67383687       1.22488677       1.58055042      -0.20486004 
Hf       5.49668414       8.96313198       2.66987598      -1.54844700       0.23356681      -1.20341835 
Hf       5.28481921       9.10556195       7.97199404      -0.51556147       2.68835479      -0.22209815 
Hf      10.77844367      10.93023105       5.08996131       0.10351141       1.29451637       0.01410439 
Hf       3.52024092       3.75161805       5.51019381      -1.45537564       1.71130634      -2.13628781 
Hf      10.69676647       6.98758889      10.36726300       4.09490850       1.79900384       0.39780789 
Hf       1.81191982       9.04111218       8.04127386      -1.73774012      -1.37534715      -0.63725056 
Hf       7.26596760       3.72178629      10.19207402       0.49420997      -4.12404328       2.58193652 
Hf       9.19562290       5.53135167       2.50085659      -0.75542339      -1.86210076       1.44846047 
Hf       3.61366558       7.20437417       5.11455512      -3.84856477      -0.16114523      -1.46961987 
Hf       3.38590622      10.80708188      10.53284752       5.04287653       1.48452024      -1.36068199 
Hf       7.35976794      10.75627486       5.42480138      -2.39391143       4.10566554      -0.38473767 
Hf       5.42999486       1.54928347       2.63035013      -0.59655010       2.14417326       2.21996151 
Hf       5.46415852       1.75609594       7.62950906       0.02265364       0.25175304      -0.12157477 
Hf       1.72572974       9.23800728       2.72856740       6.36827073      -3.58013696       4.66428227 
Hf       3.17079776       0.06115880       5.32307431       2.63156542      -0.95176560       0.85049574 
Hf       3.58621828       3.52667406      10.58056078       1.35737790      -3.22084932       1.17795470 
Hf       7.24824484      10.88956720      10.39467583      -0.43841693       3.70803625       4.26662910 
Hf       9.01205556       1.76588764       2.46831421       0.40999102      -1.58614001       1.74631752 
Hf       5.33366598       5.55771816       8.16280181      -0.48170186      -0.49205188      -2.64136379 
Hf       9.17447749       1.46851967       7.87810692      -3.33923582       6.86074996      -2.25713893 
O       0.12377815       9.31217206       1.99996710      -7.65829355      -0.58436688      -5.60182836 
O       5.08511674       7.04553474       3.62251116       2.48316329       2.38893866       0.04093502 
O      10.79863930       5.61785181       4.03484482      -1.41504114      -0.48432410      -1.18173753 
O      10.72833158       1.78974981       4.02782139      -0.81177424      -2.17372025      -0.02930259 
O       1.60938228      10.93534268       3.91364138       1.09242525       1.48070598      -1.72819052 
O       1.95477730      10.82440989       1.25079043       0.16596623      -0.09524811       0.34453279 
O       1.84049362       2.91942450       0.79161061      -2.87676741       1.28212116       1.13698701 
O       0.22416874       1.58539072       9.14109486      -3.67555811       0.27890726       2.28155743 
O       1.91618643      10.72821117       9.25205259      -2.21791454       1.81779552      -1.01475767 
O       1.41059344       0.18866539       6.35553168      -1.09952625       1.20877993       1.05181705 
O      10.27551177       2.12912659       6.46899296       1.75124244      -1.73390689       0.22868530 
O       1.21843648       3.52669082       3.74305401       2.66707798      -0.71571385      -2.05140237 
O       1.46286298       6.78165937       1.05196818      -0.64585294      -1.27071157      -0.99221387 
O       2.05033991       7.16575044       9.12756840      -1.14410559       0.23962356      -0.96950941 
O      10.80090708       1.15141567       1.48563638       0.50565634       1.89040065       0.57904595 
O       3.51518264       5.50839622       6.69935964       1.99801125       0.42064647       2.44770369 
O       3.06265361       2.10920552       6.56613830       1.01228809      -0.55312568       0.32239483 
O       5.89295138       3.71905660       8.63991169      -2.53515290      -1.66194470      -1.67941281 
O      10.56833509       4.50327229       1.38013165       0.90697724       1.08224548       0.12823575 
O       1.80521157       7.78001643       6.27022662       0.52055136      -1.96532128       1.15905225 
O      10.85759748       9.10033133       6.93246562       0.54663941      -0.59254141       0.22681594 
O       3.57331868       2.20850665       3.95537593      -1.80986737      -1.95571572      -0.03487685 
O       5.15660158      10.78088861       3.66220951      -0.32333405      -0.99993664      -1.91440908 
O       5.42786754      10.32262301       0.52670872      -1.97064426      -0.60919669       1.40939415 
O       3.81817674       1.68144208       1.42571135      -0.45469819      -1.47138571      -0.17607248 
O       3.51611204       1.87536744       9.42007433      -0.25084852      -1.89823399      -0.12528139 
O       4.92910221       0.15778492       8.69050041       1.72084046      -2.00500933       0.37532131 
O      10.93901316       8.89787486       9.41072220      -0.46298830      -0.55183276       1.82958707 
O       3.19409088       5.45176805       4.16112287       0.41216448      -2.03089961       0.81140555 
O       5.51946232       3.52520059       3.44230635       1.03089379      -0.90704225      -0.87604986 
O       5.65557759       3.20438820       0.53318263      -1.22193548       0.89869396       0.82438656 
O       8.81334812       7.51488682       6.18470346       1.48269326      -0.38638406       1.73771361 
O       3.66756570       5.25439439       9.84179532       1.45126796       3.28375505      -2.07593316 
O       5.40482236       3.30144258       5.96762835       0.05306427       0.50270406       1.33177160 
O       0.20445189       5.27691390       9.53277256       0.08910386      -0.29080964      -0.16145088 
O       9.12668271      10.59353301       6.33987091       0.07894439       1.72889578       0.01727048 
O       1.27963538       4.40596044       6.42578438       0.83346767      -3.08874538      -2.53261090 
O       6.98141585       0.83989923       1.86432564       3.81455376      -0.19447428      -2.20301148 
O       9.08948676      10.43519898       0.82300528      -1.28205663      -0.41586796      -0.30398373 
O       7.23930387       9.25504243       4.08527720      -1.38764449      -1.84623223      -0.29275427 
O       7.13294532       1.75779499       4.22152131       0.98077260      -1.73881101      -0.45524729 
O       3.24178968       9.90114383       7.06869719       2.40583020      -0.67226490       0.28752594 
O       9.06154140       7.08987367       9.17448746      -1.42149489       1.00073341      -3.92773116 
O       7.25927359       1.80205537       9.43954252       0.66215463      -2.10803950      -0.92508806 
O       7.19705863       9.24070958       9.58921095       0.66721474      -4.24606840      -2.72105839 
O       5.58794401       7.37861083       8.98017053      -0.46222644      -0.25368677       0.99653989 
O       8.69183501       7.17440995       3.72975819       0.73222232       0.72223336      -2.05860254 
O       4.96449557       7.95649218       6.43615222       0.99928087      -0.50905077      -0.94851612 
O       7.38505943       8.61316403       1.49423843      -1.59784586      -0.18424819       1.31362473 
O       9.06023018       6.85017315       0.76050293       0.59885296      -0.55678425       4.03507133 
O       7.14089565       5.38114710       9.26468601       1.70119091       4.44437010       0.44049376 
O       3.33896623       8.89301675       9.62977228       2.61482219       0.58931645       1.10318455 
O       9.34935059      10.92345969       8.83648898       0.02214752      -5.12827677       3.87796850 
O       6.74298863       5.98458933       6.74198629       0.87143670      -0.01624509       0.48512518 
O       5.21015144       0.37376394       6.10356709       0.61994859      -0.45782680      -0.19873261 
O      10.70807679       5.92326586       6.98276587      -0.36909294       2.73490795       0.39149220 
O      10.69827544       9.11274087       4.24052384      -0.26405627      -1.48708756       0.97124824 
O       1.69160958       7.38189029       3.77716077      -1.69941579       0.28362173       0.50591435 
O       3.35973365       9.13208051       4.33903245       0.91397820       1.05857796       0.85307387 
O       3.41372712       4.64313560       1.82638277       2.38782845       0.02457262      -1.66400145 
O       5.50460851       6.80310914       0.96060470      -0.73585826       0.25083268      -0.81852915 
O       9.11471404      10.80684436       3.70253360      -1.49338420       0.87979600      -0.78923046 
O       9.38557408       3.68418168       8.60374099      -0.52301535      -0.61803883       1.75922955 
O       7.32299500       5.05254773       1.52267451       2.35638471       0.04113137      -0.42341471 
O       8.89986732       2.68282322       0.76324989      -0.19831656       1.30087178      -2.03844910 
O       9.08143892       3.52259788       3.66441322      -1.52366082       1.19206149      -1.89943662 
O       6.88848749       5.41120499       4.25521173       0.94103610       1.17348655      -0.57862045 
O       3.30563260       8.11157195       1.98288140       2.53308731       2.06356840      -2.41552947 
O       8.91768923       4.20160212       6.06688758      -1.43587279       0.74601483      -0.03569998 
O       7.29993547       1.59013291       6.81788989       1.94448031      -0.24424085       0.35064917 
O       2.00255258       3.53103762       8.85142613      -1.92099067       2.18219830       0.39910750 
O       7.21277523       9.38712085       6.97312484      -1.80835259      -0.68752085       0.03565157 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.023218740903499773 -0.00353278059142679 0.001394380251837963 -0.00353278059142679 -0.0113960672019313 -0.00437656955479649 0.001394380251837963 -0.00437656955479649 -0.015188455145381686" pbc="T T T" energy=-1061.51345076 free_energy=-1061.51345676 config_type=crystal 
Hf       1.87968696       1.81519041       2.69962389      -0.87722643       1.29060401      -1.39470186 
Hf       3.70634808       7.12667586      10.23510637      -1.20781134       0.32529594       2.83982478 
Hf       5.22255538       5.61920652       2.49033229       2.61355125       0.07071770       0.18260326 
Hf       8.79674244       5.12796862       7.97734904      -1.20082448       3.98669176      -1.96810110 
Hf      10.45774709       7.05079647       5.44636348       1.36493107       1.27897120       1.57053237 
Hf      10.88860910       0.02732689      10.48408145       0.84775179      -1.50200460       2.36887207 
Hf       7.16877594       3.71922280       5.19847352       3.34339479      -0.29320998      -1.58438703 
Hf       6.94972627       7.27040620       5.14698643       2.07687774      -0.00001141      -1.69902648 
Hf       1.62828434       5.39864843       2.59676961      -0.20756544       0.19155372      -1.39801064 
Hf      10.88478008       3.73283300       5.36553950      -0.49784202      -1.73649208      -2.23928957 
Hf      10.51415690       3.62416723       0.01182923       2.23775001      -0.43586342       1.36242346 
Hf       1.45735222       5.01513431       8.01284288       1.63683981       2.59905539      -1.29533801 
Hf       9.01916425       8.89407905       7.94749122       0.78914242       1.93048251      -1.45420770 
Hf       2.01328825       1.80237715       7.71214433       0.82996208       0.95682046       0.76944389 
Hf       7.53637592       7.27965493       0.06213788      -0.70304174       0.01946150       2.31392748 
Hf       9.36547497       8.98706119       2.77957640      -4.45139916       0.25494992      -0.30996088 
Hf       5.14335796       9.21713391       2.28562519       4.07561724      -0.82526916       1.97360220 
Hf       5.44556060       8.95653581       7.73988549       0.06862943       3.47745719      -0.77220922 
Hf       0.21957588      10.75857211       5.20254836      -2.06111225       3.59839588      -1.26081231 
Hf       3.61636108       3.55834468       5.15742326      -0.69427910      -0.19709424      -1.55574339 
Hf      10.85646463       7.20822992      10.51421860       0.66636578       0.37812550      -1.22151265 
Hf       1.91692607       9.00966222       8.15978264      -4.09778320       2.28629540      -0.42633687 
Hf       6.94658113       3.15125883      10.43109418       3.25348766      -1.01880038      -0.35088455 
Hf       8.79904747       5.39479740       2.74923039       2.80464076      -1.24940297      -1.24055992 
Hf       3.29412540       7.24026482       5.34875769      -0.43632565      -1.79263190      -1.53374315 
Hf       3.61282613       0.02805854      10.36189323      -0.35023587       1.70407404      -1.05646642 
Hf       7.51317812      10.91607754       5.08070856      -0.80619776       0.90719448      -0.62569288 
Hf       5.29540467       1.87994782       2.50176463       1.10093293      -2.46491739       1.70907836 
Hf       5.59221411       1.85617166       7.65980107      -0.87420148      -3.53729050      -0.88539571 
Hf       1.65034052       9.00581053       2.68888903       0.82071744       1.39011422      -2.89103919 
Hf       3.87356118      10.75374074       5.04234764      -0.75053698       4.13925366       0.53180851 
Hf       3.39584605       3.65424813       0.12209968       0.03030667      -2.33843012      -0.30243647 
Hf       7.46079300      10.50754408      10.44447365      -1.05197205       5.65118332       4.39184435 
Hf       9.19430128       1.79904861       2.35914290      -4.30329977      -0.96096561       3.02427472 
Hf       4.94883692       5.46450100       7.82209602       3.92583294      -0.11341047      -3.17616781 
Hf       9.23525590       1.83207656       7.81596085      -0.19570182      -3.76003777      -1.01437721 
O      10.92682801       9.87159331       1.77011997       0.80613926      -1.39743445      -0.35373499 
O       6.03862761       7.41129445       3.26690212      -2.57129388       0.05421975       1.44420519 
O      10.55261158       5.44259185       4.29505645       3.42732507      -2.16498464      -0.14764053 
O       0.12723740       1.80470475       4.18165693       0.66278188      -0.76171849       0.43216267 
O       2.11749044      10.95022181       3.20420335      -1.64152904      -2.58699750       0.92328085 
O       1.79482112       0.62538732       0.41555999      -0.57190712      -0.55748619       1.61941561 
O       1.79830688       3.79184487       1.23778340       0.39838911      -1.84481269       1.09338785 
O      10.61649690       1.52047072       9.40342698      -0.47666012       5.14753636      -1.54411155 
O       1.88870681       0.16533908       8.62286256      -0.07509071      -3.94424398       0.45276268 
O       1.97258693      10.87376843       5.96980357       0.90559076      -0.74172092       0.78775028 
O       0.18795708       1.88516364       6.85455739      -3.74540214      -0.19220669       0.27612524 
O       1.83651517       3.87333921       4.03427160      -0.30708091      -0.24204940      -3.57303875 
O       1.27495027       7.06617541       1.24413125       1.79100260       2.36614849       0.22960162 
O       2.01716569       7.15750188       8.87065569      -1.26177111      -3.67533980       0.02748588 
O      10.89822781       2.15242946       1.67298802       2.64603211       0.56241565      -2.00635015 
O       3.46398065       5.22038774       6.54370367       0.42491174       0.56715688       2.43284020 
O       3.56419639       1.94842676       6.52378259       1.98062345      -0.61195408       1.19077559 
O       5.87332557       3.67104861       8.43244742       0.19065787       0.25059266       1.35537817 
O      10.94116481       5.14279428       1.37732113      -3.27716048      -0.42682144       0.53728884 
O       1.48130554       6.49468130       5.81499825       0.93560296       1.77074649       0.83087992 
O       0.00139612       8.61692106       7.20527474       0.68151328       0.21300776      -1.43911478 
O       3.73842374       1.50330968       3.98728696      -0.95979484       2.84381385       0.10667993 
O       5.72092344      10.89144166       3.42508822      -1.01496230      -1.04444758      -0.01572542 
O       5.32384064      10.54258652       0.77586247       1.05198470       0.22066848      -1.26702692 
O       3.78463308       1.85536979       1.30477767      -3.09708458      -0.66857268      -0.61685361 
O       3.52094856       1.97016621       9.28690636       2.08465011       0.11278584       0.36291826 
O       4.96387973      10.85123183       8.57668349       0.05342514      -1.00326972      -0.01043895 
O       0.12218657       9.19459303       9.60491222       0.28940789      -1.21445759       0.97502192 
O       4.20587682       5.34921452       4.19852685      -2.02320596       3.87685506       0.85407832 
O       5.08885636       3.61254960       3.19950906       0.29883954       1.19912078       0.71217967 
O       5.37366064       3.48968595       0.74390819      -0.65015768       2.18378073      -0.40287872 
O       8.86877671       7.19613405       6.74936069       0.39956902      -1.55693728      -2.25008567 
O       3.84685845       5.20360402       9.38098427      -0.96195293       0.22754057       0.76277934 
O       5.43951793       3.39974124       5.85482787      -1.33729836      -1.17384080       2.73303417 
O      10.89103607       5.38731335       9.40067598      -0.96726090      -0.83848144       0.24137301 
O       9.43301367      10.55578817       6.03412837      -1.06311254       0.58848788       1.55020810 
O       1.73140429       3.51765125       6.19027444       0.15187203       1.21907509       3.76910953 
O       6.99068353       1.67951076       1.69554010       2.92934499       0.91967228      -2.18454929 
O       9.00676644       0.59116998       0.69212115       1.36145076      -1.39814898       0.68482774 
O       7.59675235       9.05471658       4.26317020       0.92270626      -0.50789171       0.50578415 
O       7.23919179       1.89767945       4.42681609       0.25024118      -1.22675465      -1.29042624 
O       3.35810636       8.63257960       6.93085065       1.66764610       0.08842414      -1.60399252 
O       9.19344068       7.42439191       9.20621492      -0.76087649      -0.52046351       1.07448333 
O       7.05585606       1.30834120       9.50409743      -2.50461334       3.58219153      -0.26298414 
O       7.08394669       9.02313404       9.44506811      -1.07199750      -4.74148606      -2.85029662 
O       5.11420306       7.37982520       8.85664114       0.43834552      -2.36052276      -1.10179971 
O       9.16155302       6.95793637       3.82040730      -1.48025741       5.12499394       0.61238656 
O       5.25863086       7.19319489       6.13325878      -1.00325406       0.56700646       1.15478185 
O       7.51483270       8.74525789       1.50948562      -0.84228788       3.03135500      -0.66729566 
O       9.46994076       7.58613435       1.20793781       0.20956643      -1.48487932      -0.74934822 
O       7.79556793       5.52024743       9.79904038      -0.96594505      -2.03498354      -1.26511667 
O       3.20852080       9.01928016       9.65699868       1.35429133       1.21306039       1.16817216 
O       8.77888865      10.86098672       8.96763532       2.09838356      -2.27873702      -2.45933690 
O       7.00081553       5.40465572       6.59658050       0.27626543       0.67344619       1.85911574 
O       5.46753625      10.91262388       6.10040698       0.63909385      -0.93029099       0.48235263 
O      10.76674638       5.24860371       6.90998369      -2.10829411      -1.06513574       0.49986260 
O      10.78940011       9.07788030       4.19704198       2.45397376      -2.47053481       1.04760126 
O       2.05268724       7.33118330       3.55516815       0.79821002      -1.57426680       1.16599889 
O       3.92257438       9.10083882       4.19941703      -0.67423108      -4.03569586      -1.06691716 
O       3.46668350       5.52768097       1.36114613      -0.01178530       0.48638205       0.32041881 
O       5.31675430       7.20933077       0.77399358       0.52761419       0.66249654      -0.05612808 
O       9.15325462      10.94761713       3.38700727      -0.81289412       0.62500542       0.38536998 
O       8.75668347       3.41557354       8.83997147       1.02007402      -0.94706014       3.42716753 
O       7.26541016       5.92173213       1.73939387      -0.97567649      -0.13049981      -3.32440470 
O       8.78641509       3.39900281       0.94049218      -0.53135742       0.95274597      -0.62590912 
O       8.96283058       3.77197079       3.80313847       1.71132151      -3.90008180      -0.41785866 
O       7.21767651       5.19035143       3.89997971      -3.18013641       2.16889087       2.24498096 
O       3.37330748       9.17629016       1.56194420      -2.48077940      -0.51150143      -0.26251447 
O       8.75155069       3.59308287       6.51600790       2.34656097      -0.59656934      -0.52949384 
O       7.41419001       1.26989605       6.76101730       0.43057377       1.17668673       2.68100581 
O       1.82180794       3.57798221       9.36428920      -2.28968151       0.39774927      -2.55970203 
O       7.19416416       8.93970991       6.78153584      -0.45976744       0.16452852       0.56589132 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0067367832234442255 -0.004788827386689077 0.0038187996320561465 -0.004788827386689077 -0.014455712690674161 -0.009447656746134441 0.0038187996320561465 -0.009447656746134441 -0.008090138560084524" pbc="T T T" energy=-1060.8344466 free_energy=-1060.83445874 config_type=crystal 
Hf       1.82435587       1.87475511       2.57258672      -0.85107432      -2.43852445      -1.05048627 
Hf       3.76393577       7.15779507      10.14446566      -0.90673146      -0.11079423       2.11167086 
Hf       5.17634867       5.63488751       2.55148443       1.52898154       0.07442521      -0.74454658 
Hf       8.74791615       5.05980948       7.97580688       1.59050176       1.10070548       2.74986968 
Hf      10.58394563       7.07617506       5.45297514       4.64440687       0.40971375      -0.65951959 
Hf      10.93537434       0.11461608      10.44991049       0.47018841      -0.26414079       0.65012823 
Hf       7.32015334       3.71705625       5.24080298      -0.98031054      -1.65342701       0.96186791 
Hf       7.05337924       7.28941585       5.11389325      -0.92161143       1.22394487      -0.06129905 
Hf       1.72216696       5.33595360       2.61691741      -1.02048266       3.13368035      -1.17284411 
Hf      10.86212340       3.74585826       5.42238191       1.41491031      -2.04339149      -2.14854870 
Hf      10.60363357       3.61410677       0.08444539      -0.71376900      -0.62330504      -0.92958870 
Hf       1.51624302       5.07707427       8.02007985      -1.74077797       2.61591676      -0.23540210 
Hf       8.91033600       8.95267886       7.83612938      -0.54663014      -2.46974416      -2.33076638 
Hf       1.88039022       1.73672003       7.68655714       0.95011674      -0.02179314       0.93046554 
Hf       7.57803918       7.13401846       0.07249467      -3.46641188      -0.33778882      -0.47569163 
Hf       9.37299199       8.88882280       2.76171798      -1.92295227       4.37610771       0.58111086 
Hf       5.20254425       9.30798161       2.40656929      -0.46679323      -4.52201459      -2.15598953 
Hf       5.39876215       8.99319918       7.78754784      -0.34034036       0.62859246      -2.12689301 
Hf       0.28826540      10.77823748       5.18789915      -0.61052631      -1.41282572       3.77043093 
Hf       3.62788011       3.55784092       5.09480325      -0.55308624      -0.14873028       0.73732864 
Hf      10.75774932       7.20246366      10.44000150       2.17284104      -2.80132987      -1.04104378 
Hf       1.78191287       9.00350659       8.14015003       0.82578945      -1.07108948      -3.16008245 
Hf       6.96251762       3.21869696      10.51224958       0.92609107       3.65128905      -0.43081748 
Hf       8.86397700       5.34991801       2.72903688      -2.01712285      -0.09701761       1.56049422 
Hf       3.35106812       7.17117738       5.35369550      -1.34301492       5.58465340       3.36095895 
Hf       3.59425790       0.07204304      10.32255519      -0.23030350       0.88145461       0.10895112 
Hf       7.60402977      10.88899825       5.03650371      -0.92936780      -0.78499304       1.92623633 
Hf       5.25719530       1.86187666       2.50504835      -0.29916953       2.22705472      -0.13331641 
Hf       5.48590716       1.80973421       7.65486900      -1.05925530       0.25411465       2.80167814 
Hf       1.63460474       9.09465547       2.71126190      -1.00343876      -1.98395614       0.17244230 
Hf       3.86996093      10.77990071       4.98475632      -1.67380504      -0.04305626       2.00845653 
Hf       3.33515858       3.68925343       0.05441049       1.36941965      -2.26560033      -0.36363145 
Hf       7.50020666      10.51456830      10.50222962      -1.28848208       5.79075736      -6.38216123 
Hf       9.09296474       1.86476280       2.46632829      -0.17818257      -0.41194862      -1.37448574 
Hf       5.02568778       5.41217723       7.75259182       3.47658554      -2.72651812      -0.37799593 
Hf       9.34310337       1.83388912       7.84066690      -3.20812450      -2.73550213       1.71546709 
O      10.86026516      10.06711726       1.85445821       0.87392585      -2.22813674       0.50111594 
O       5.86639305       7.35903334       3.33708881       0.07464794       1.06517345       0.21753312 
O      10.89178688       5.35199976       4.20025045      -0.13842764       0.89257416       0.11090956 
O       0.28279890       1.61773163       4.56993536       0.30291176       2.22516504      -2.64356725 
O       1.82065121      10.67906563       3.86781328       1.56760146       0.72922395      -1.98469586 
O       1.63950865       0.70624293       0.77396275       0.32637591      -1.28918554      -1.51704833 
O       1.65536351       3.79604343       1.05344540      -0.47121010       0.60545454       0.33534419 
O      10.62110521       1.96117374       9.39981705       0.90551829      -3.47174085       1.14806647 
O       1.56463556      10.87796655       8.84631571       0.40115818       1.59363826       0.70904445 
O       2.03694730      10.48199019       6.29051409      -0.32953255       1.59543355      -0.02859947 
O       0.05598439       1.65754814       6.86511305       0.82592328      -0.75340765       0.25760948 
O       1.91876745       3.60667543       3.56444291      -0.60990925       1.98479302       2.08393313 
O       1.57144274       6.92773791       0.75097956      -0.99512373       0.16986440       0.71697369 
O       1.98920291       6.87902962       8.78481961       0.42019719       2.59569450       0.72297577 
O       0.04740749       2.20890676       1.59098273      -3.13452161      -0.08006540       0.62853017 
O       3.31070029       5.00151293       6.92217271       1.89063862       1.34255460      -1.46376887 
O       3.65382830       1.63680471       6.33933330      -0.53431298       1.05647931       1.02854425 
O       5.97456339       3.67447401       8.59443923      -1.43549941      -0.61060349      -0.10334618 
O      10.23490961       5.06345005       1.62299877       5.63126296       1.21965977      -3.06644440 
O       1.60987333       7.01962588       6.18240929      -1.83275011      -0.90674663       0.19389725 
O       0.12418659       8.91666506       7.05093677      -1.71504471      -0.10825722       0.66125032 
O       3.40114251       1.87961278       3.88185706       1.85182505      -3.39347403       1.65553434 
O       5.35805338       0.00711691       3.39138206      -0.26258657       1.24437552       0.46751315 
O       5.30580816      10.47600373       0.64569113       0.72537997       0.85326419       0.38406326 
O       3.61502839       1.50397504       1.40631672       1.54823648       1.45299179       0.17036709 
O       3.70101262       2.11847780       9.32854259      -1.03232678      -0.61731530      -0.12965284 
O       4.68533318      10.93660503       8.44577832       0.98835393      -0.08601668       0.12105091 
O      10.93144826       8.98992553       9.91938128       1.59963286       2.32254014      -1.19893770 
O       3.80857501       5.85810604       4.24410145       1.72433163      -6.73145263      -3.66802308 
O       4.57913821       3.73554954       3.35028312       2.93577749      -0.32425932      -0.28770273 
O       5.18647486       3.78330960       0.90520008       0.98273492      -0.98818305       0.22548429 
O       9.21120145       7.12408543       6.70632238      -2.80960523      -0.27232361       0.39364645 
O       3.75779658       5.14429240       9.54367398      -0.20624801       1.15186574      -1.50645677 
O       5.47681303       3.48185219       6.14394847       0.23785038       0.06743634      -1.67679462 
O      10.62210955       5.47716198       9.06670706       0.40118554      -0.23060504       3.09694957 
O       9.19904380      10.53828223       6.19420302       0.21592671       0.62128009      -0.85547261 
O       1.64892708       3.65585001       6.68363573      -0.66543123      -3.96519560      -4.54026101 
O       7.19963230       2.03392498       1.85112538      -3.27894035      -0.83619312      -0.45624884 
O       9.09527733       0.52377689       0.54145859      -0.50068964       0.09297918       1.39590364 
O       7.54490615       9.05427735       4.09146083      -0.59293460       1.52574269      -0.77127279 
O       7.32528097       1.91200694       4.32879619      -0.96399375       1.19081741       1.27039312 
O       3.57958146       8.70478369       6.95062707      -1.09126851      -0.02076312       0.67170740 
O       8.90373884       7.37189809       9.33675307       2.05441884       0.66737263      -1.62972193 
O       6.77169193       1.54969465       9.73649127      -0.74513155      -3.58267920      -0.39864651 
O       7.00936088       8.79529186       8.95528634       0.83892577       2.06296321       3.07033453 
O       5.34009891       6.97982240       8.77057611      -1.45192137       2.45095787       1.61583301 
O       9.02637056       7.34734471       3.87362819      -0.04963997      -5.37941861       0.82822085 
O       5.30231627       7.09475654       6.26720119      -0.11450189      -1.13994751      -1.14877512 
O       7.36226854       9.19061666       1.02528025       0.75259802      -5.09419824       5.74936188 
O       9.44906038       7.62825206       1.20463506      -1.36120078      -0.80758636       1.06796770 
O       7.68524408       5.23755185       9.69043464      -0.67946659       1.69021406       0.77127777 
O       3.54538778       9.11537699       9.58142681      -0.69994569      -1.79258468      -0.11177594 
O       9.01219985      10.55692003       8.79690669       0.41774085       3.39012664       2.04805664 
O       7.10343731       5.43489800       7.07224430      -0.45187453      -0.31792501      -3.26552126 
O       5.58541931      10.53795125       5.93606500      -0.63368501       0.44154519      -0.27637059 
O      10.62052169       5.18033885       6.73698927       1.02753592       0.66816796       0.25497035 
O      10.86831650       8.89701602       4.32250627      -0.49172326       0.45911969      -1.28512574 
O       1.80655292       7.16575339       3.58034304      -0.49941910       0.83115994      -1.25490297 
O       3.95060059       8.71326320       4.09817230      -0.66072906       3.13356076      -0.21138953 
O       3.45295223       5.56880355       1.58697411      -0.07036166      -0.15385756      -0.31154034 
O       5.35115439       7.41670320       0.75763034      -0.44118133      -0.09653243       0.35102888 
O       8.88204005       0.13108887       3.46095099       0.91546963      -1.29668669      -0.47153051 
O       8.82594029       3.24951235       9.20085057      -0.16478643       1.00382202      -2.96838494 
O       7.27945213       5.74297327       1.47601341       0.31625278      -0.20988435       2.06675771 
O       8.68928708       3.52103260       0.92623221       1.70148667      -0.69013157       1.06069570 
O       9.47684644       3.41547033       3.63748678      -1.84947768       2.04655792       1.50568207 
O       6.87093138       5.25794644       4.02520411       1.86603907      -1.42685990       1.44109655 
O       3.08787596       9.37292264       1.55843822       2.95815348       0.55712850      -0.49318039 
O       9.10362690       3.43246999       6.41364606      -2.60356668      -0.57325240       0.07167912 
O       7.22908247       1.21581296       7.20890380       2.40856876       0.64834558      -1.56254103 
O       1.35115560       3.40961150       9.05763117       1.93267099       0.29255603       1.12766127 
O       7.15392595       8.70912347       6.56186683       0.88300221       0.65166009       0.41235496 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014275579454267369 -0.0029340001900993915 -8.016102490365338e-05 -0.0029340001900993915 -0.005708115797766109 -0.005270690678149734 -8.016102490365338e-05 -0.005270690678149734 -0.003829463837099576" pbc="T T T" energy=-1059.27481085 free_energy=-1059.27481496 config_type=crystal 
Hf       1.79654154       1.88128193       2.51444407      -0.67772879      -1.99293835       0.15921108 
Hf       3.77616585       7.16970665      10.12854438      -0.94165538      -0.06511587       3.19208786 
Hf       5.16827574       5.64200113       2.56805579       4.75816378      -0.19380394       0.47669667 
Hf       8.73777779       5.05056766       7.98744202       1.73111913       1.52138007       2.87616330 
Hf      10.67327450       7.09350548       5.45691882       1.09554360      -0.31806844       0.40640822 
Hf       0.00259033       0.14374809      10.44378585      -2.58305671      -1.21024762      -0.02788906 
Hf       7.37827865       3.69349702       5.27146254      -2.77270060       2.35648307       0.64730586 
Hf       7.08781712       7.30999560       5.10157116      -0.57002842      -1.08957689      -2.22713969 
Hf       1.74854813       5.33744920       2.61241146      -0.34245002       2.50934305      -0.86698713 
Hf      10.85657353       3.73088733       5.42380810       2.28558741      -1.57353372      -2.60487474 
Hf      10.63737816       3.60172178       0.10323671      -1.12828325       0.40019704      -0.86182293 
Hf       1.53008779       5.12642426       8.01320629      -2.11137962      -1.59537080      -1.17773076 
Hf       8.86565677       8.96773744       7.77934480      -0.11122965      -1.79711976      -1.16465901 
Hf       1.83856361       1.71106590       7.68337938       3.61937218      -0.55513714       2.23896219 
Hf       7.56888741       7.07407622       0.06909254      -2.87459776       0.25329713       0.93003580 
Hf       9.35360765       8.88633776       2.76062266      -2.67010960       1.35047643       0.61527015 
Hf       5.22341576       9.30532522       2.43880747       0.75161380      -2.95995156      -2.51624734 
Hf       5.37808128       9.01604113       7.79173641       0.21819901       1.05307684      -1.42512478 
Hf       0.30551672      10.78681745       5.20485496      -2.21646346      -0.85912259       5.53001995 
Hf       3.62576144       3.55680700       5.06969723      -0.48351848      -0.58690307       0.94885841 
Hf      10.73865783       7.18197156      10.40173731       1.35763764      -0.30429914       0.43289237 
Hf       1.72787503       8.99803253       8.10877992       0.94591114       0.01637625      -2.05158314 
Hf       6.98290652       3.26792752      10.53776927      -0.53665150       0.44522812      -0.13560268 
Hf       8.88728096       5.32732903       2.72944897      -5.82191009      -0.23799483       4.13294937 
Hf       3.36510209       7.17542261       5.36822715      -0.19520480       1.22064283       0.24951716 
Hf       3.58118991       0.09647514      10.30522759       1.22941970       0.28732793       0.72678956 
Hf       7.63266262      10.87543012       5.03596504      -2.44939006      -0.58647951       1.24067616 
Hf       5.24198212       1.86361012       2.50678311       0.10502661       4.99309267       0.70609010 
Hf       5.43950073       1.78665868       7.66871094       0.06471334       0.55307575       3.03924663 
Hf       1.62513777       9.11452363       2.71106580       0.60654619      -1.64716324       0.27811754 
Hf       3.85225527      10.79789944       4.97198706      -1.77354344       0.62707605       2.83608528 
Hf       3.31534849       3.68539078       0.02537631       3.76246259      -2.32876646      -0.44845640 
Hf       7.50367018      10.54937091      10.49107927      -1.40868444       2.92401451      -3.27053241 
Hf       9.04572115       1.88899572       2.50523723      -1.48811874      -1.52406512      -3.00325750 
Hf       5.09656872       5.38151412       7.72400438       2.08537027      -4.10042293      -1.25787019 
Hf       9.34253727       1.80912670       7.86774460      -0.89848253      -3.62103478       0.57522341 
O      10.91990447       9.92653546       1.92630334       0.02009659      -1.46785574       0.21180597 
O       5.76129729       7.40404387       3.45184534       0.25447956       0.70153641      -0.63780042 
O       0.11000569       5.35793889       4.07937672      -0.98457051      -0.07234636       2.76059779 
O       0.40367952       1.64109015       4.54352548      -0.61270882       2.11093303      -2.97995279 
O       1.75414182      10.68401095       4.04576878       4.28823092      -1.01672951      -4.93600676 
O       1.49138440       0.61322112       0.82111948       4.38241453       0.43984092       0.99457879 
O       1.64568148       3.71788814       0.95962013      -0.94854570       0.95240647       1.55882570 
O      10.71551207       2.01325363       9.52845803      -0.74268007      -4.95462529      -0.64532980 
O       1.46366923      10.82781765       9.00005080       2.34429157       1.41024012      -1.11596801 
O       2.03403443      10.43973016       6.42908957      -0.12596942       1.50527916      -0.46069139 
O       0.25804459       1.51159768       6.75005370      -5.31068298      -1.17910066       1.08595730 
O       1.91883800       3.56288419       3.51076476      -0.37992834       2.40702181       1.51372395 
O       1.58057950       6.94689984       0.58751564       0.26431310      -0.20126235       1.60214345 
O       1.94008114       6.80326121       8.78125283       0.75342569       4.42545317       1.23571270 
O      10.88939727       2.21687659       1.55434861      -1.35614383      -0.42526813       2.06422356 
O       3.25871112       4.99516163       6.93548415       2.56765210       1.42724182      -1.55429159 
O       3.62982228       1.58885698       6.44215623       0.36838174       0.80786955       0.02970235 
O       5.90882202       3.54878688       8.71304388      -1.06910145       1.16221605      -1.13499210 
O      10.19594426       5.25846477       1.65145292       9.50518388      -0.08744708      -6.26476942 
O       1.56473636       7.17721436       6.38037878      -0.03314127      -1.08197515      -1.72687049 
O       0.11655201       9.06317724       7.03457332      -3.36654697      -0.83200937       0.08943579 
O       3.38928177       1.82569163       3.96103503       0.60760450      -2.45667105       1.12143993 
O       5.19001102       0.20482910       3.43583265       0.80153702      -3.90898873       0.46319226 
O       5.46289847      10.53261875       0.57819517      -1.88317288       0.52816082       1.01301855 
O       3.67902239       1.52415336       1.49024883      -2.12501296       0.43364982      -2.47521839 
O       3.73136523       2.14862860       9.30712133      -1.43422790      -1.02693561       0.59813023 
O       4.66637481       0.00581851       8.40471859       0.69673685      -1.07761677       0.16094073 
O       0.06110830       9.07882964       9.97381143       0.78597904      -1.19266003      -0.94635427 
O       3.73260139       5.70112518       4.06524940      -1.69474912      -0.10763134       2.67139192 
O       4.59506352       3.78694129       3.42713642       3.24577794      -2.34704016      -1.22892043 
O       5.19957057       3.86036621       0.97424000       0.38658104      -1.12229544      -1.00047404 
O       9.04792517       6.98783157       6.68079758       0.94516362       1.18631578      -1.16706437 
O       3.65092869       5.16711813       9.55718067       0.12540325       1.03453937      -1.86921215 
O       5.55641691       3.50178597       6.16397627      -1.24798534      -0.19165792      -0.82729976 
O      10.52431300       5.47745078       9.19656985       0.90018454      -0.85338358       1.85918032 
O       9.13595280      10.59993997       6.21055521       0.74901731       0.08723166      -0.49575218 
O       1.64191228       3.43923324       6.65872465      -0.65990464       0.79099539      -3.99092562 
O       7.03376318       2.13777570       1.81937826       0.94540651      -0.97051560      -0.30509479 
O       9.12481591       0.47797040       0.65636296      -1.25628412       0.24700492       0.93819669 
O       7.51379144       9.07361721       3.94715302      -0.59952812       1.17339531       0.58582959 
O       7.27000905       2.09350283       4.36505894      -0.41360448      -3.61839188      -0.81511682 
O       3.60300922       8.72628068       6.95284609      -0.56100643      -0.99131655       0.21158190 
O       8.92752136       7.41657162       9.30412108       1.06194738       0.17813659      -1.07026381 
O       6.53869824       1.43818711       9.79899478       1.15299547      -0.45251137       0.51011751 
O       7.07259978       8.87167271       9.04928741      -0.57716475       1.71458237       0.84695535 
O       5.29232067       6.89177692       8.78784069      -0.32884027       3.78586535       1.57959739 
O       8.85751712       7.14115969       3.86559798       1.75219090      -1.38226432       0.43620061 
O       5.30881076       6.98614807       6.22366980      -1.26766963      -0.83268425      -0.40437416 
O       7.32804375       9.25709449       1.18322570       1.35643019      -3.01804724       3.34404653 
O       9.37895753       7.49717250       1.27237219      -0.69050031       0.52707554      -0.34779114 
O       7.50675857       5.23886832       9.77505381       0.77859082       1.05067047      -1.54377009 
O       3.65042822       9.12623559       9.57884470      -0.80024704      -1.87422409      -0.53362952 
O       9.15424504      10.57572425       8.79999803      -0.08201401       2.77815298       1.20032193 
O       7.18134904       5.43132854       7.00395904      -1.65595974      -0.85199902      -1.69654803 
O       5.64017049      10.40007569       5.88737164      -1.11757937       0.97076794       0.01569145 
O      10.61784142       5.23518491       6.78157378       1.33028077      -1.02874610      -0.65710813 
O      10.92768685       8.80791635       4.27128044      -1.57221712       0.69114203      -0.22452139 
O       1.69891098       7.14668908       3.52184400       0.38267511       1.41140607      -0.58123766 
O       3.88435426       8.66375862       4.05281974      -1.22998629       3.27488276       0.51239591 
O       3.55771296       5.56717012       1.67069513      -4.07930349       0.08203088      -3.00384420 
O       5.38074808       7.48378285       0.83591175      -0.85774242      -0.40005589      -0.48607950 
O       8.82776884       0.01458123       3.48309194       1.86232852       1.20470417      -1.38919706 
O       8.91082343       3.18655107       9.18175653      -1.93148152       2.20182671      -2.18232421 
O       7.32876487       5.61982082       1.48785465      -0.60028261       1.09389722       1.55503143 
O       8.75203900       3.55354935       0.99833712       0.76845370      -1.33879987       0.25515803 
O       9.49506867       3.36380304       3.62570336      -0.75066351       3.05361605       2.47339644 
O       6.84876476       5.31465448       4.11926087       1.77103919      -2.03526327       1.17824944 
O       3.15897229       9.46461001       1.54234039       1.70045941       0.43836395       0.39506383 
O       9.06301443       3.30343449       6.29887486       0.30727723       0.01564090       1.93285659 
O       7.30757597       1.29626100       7.31408605       1.54890802       0.54435733      -1.44967373 
O       1.27285669       3.34169832       8.96908342       2.79749996       2.65289714       0.89625506 
O       7.21422175       8.64685340       6.46531767       0.25209662       2.48453068       2.92276794 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.006071324218389195 -0.0012677028073133647 -0.019909642467552852 -0.0012677028073133647 -0.011260297751063028 0.0014113423393177003 -0.019909642467552852 0.0014113423393177003 -0.0001033365409597169" pbc="T T T" energy=-1060.97567803 free_energy=-1060.97594502 config_type=crystal 
Hf       1.70877412       1.87414004       2.38103301      -1.17870038       0.79236607       3.30103052 
Hf       3.77622336       7.19826543      10.15463878      -2.58354974      -0.80093263       2.66672038 
Hf       5.20398496       5.65521779       2.61357119      -0.19924883      -0.60151263      -0.81136558 
Hf       8.73916822       5.06206149       8.05333480       1.67251857       4.13771000      -0.79501394 
Hf      10.91240465       7.12869220       5.46594784      -3.95414211      -1.52220015      -1.66203866 
Hf       0.01960993       0.17132905      10.45132277      -0.06023840      -4.90811359       3.26270777 
Hf       7.47921135       3.66372902       5.35982726      -2.31763139      -2.99478910      -0.00034131 
Hf       7.16326255       7.34605848       5.03860475      -1.13685401      -0.47367183       0.78109280 
Hf       1.79805183       5.38727906       2.57882892      -1.63994436       1.76857906      -0.88828980 
Hf      10.87695870       3.66572947       5.37423498       0.83704836      -0.63918473      -2.89646935 
Hf      10.70759823       3.58367999       0.13961712       0.08183553       0.88956229       0.22468128 
Hf       1.54834432       5.24502866       7.98193960       2.90359147       1.99240911      -0.45606100 
Hf       8.76627654       8.98881952       7.63216674       3.14475531       0.18123314       3.54813165 
Hf       1.78455886       1.63263529       7.70555116       1.89711901       0.12542820      -0.18670578 
Hf       7.50139495       6.94453028       0.08544717      -2.31544663       3.50874260       1.74576593 
Hf       9.25066770       8.89785142       2.75850951      -3.10242356       0.27364841       0.05863299 
Hf       5.28980276       9.25901957       2.47591097       0.35016171      -0.07600261      -2.45667369 
Hf       5.32348720       9.09333976       7.78654425      -0.12893928      -0.85285425      -0.22904704 
Hf       0.32943333      10.80009645       5.31473235      -0.40380303      -0.43201066      -1.31269661 
Hf       3.60943064       3.54065687       5.01317784      -1.23356249      -0.24820270       0.68699539 
Hf      10.72564484       7.12780400      10.33379696       3.49108827       0.20001981       3.32882960 
Hf       1.59862108       8.98700017       8.00532223       0.12521611       0.87240006       0.97713332 
Hf       7.01850771       3.39407250      10.60468818      -2.14830122      -1.39527341      -0.81549161 
Hf       8.91237184       5.25962983       2.74850188       1.27611062       0.67980530      -1.94847474 
Hf       3.40035248       7.21173573       5.40403306       0.53720445       0.62898921      -0.96072110 
Hf       3.57068837       0.15257117      10.28166161       1.62697351      -2.20552063       2.65922245 
Hf       7.65590555      10.83471489       5.04221117      -3.29233132       1.09929185      -0.91116748 
Hf       5.19606618       1.93392880       2.52879949       0.46476429      -2.74411546      -1.19850975 
Hf       5.33114632       1.73594270       7.75418712       2.55432225       1.02464240       2.17240868 
Hf       1.64227416       9.13156722       2.71002532       3.60664275      -0.83731320      -2.63782112 
Hf       3.77537252      10.84372718       4.99012163       0.21847740      -1.99680510       2.26598012 
Hf       3.32398521       3.64985237      10.57280097       1.99584050       0.39076693      -0.38153943 
Hf       7.48547117      10.68258097      10.43898686      -2.38930289       2.56694748       3.86431824 
Hf       8.89640950       1.92393068       2.56653669      -1.42110453      -2.52428442      -0.03095476 
Hf       5.30767967       5.25102882       7.63983131      -1.59654191      -0.08049992       0.50268545 
Hf       9.33145812       1.67638315       7.93952797      -0.47986943      -0.70610021      -0.98887139 
O      10.85925479       9.46598137       1.93874161       0.12494641       0.96525141      -2.66356734 
O       5.53842760       7.46651751       3.64156927      -0.00033180      -2.06650877      -0.82704418 
O       0.28231081       5.38952373       4.33759297      -0.78419135       0.78859245       0.30024044 
O       0.53400607       1.83508486       4.08819401      -2.22087649      -2.29970287       2.22486254 
O       2.01016799      10.59930036       3.87966078      -3.23871625       2.23643670       1.17696978 
O       1.72679170       0.42326720       1.07314423      -2.35369503      -1.74203201      -2.40063086 
O       1.59166160       3.58598141       0.97416656       1.24003324      -0.86760156       0.19507693 
O      10.81125448       1.81061661       9.58419651       0.17607375       3.51973477      -1.27345856 
O       1.75395864       0.01197546       9.08425235       0.05939262       0.39415016      -0.33290744 
O       1.97900803      10.58600547       6.62937458      -0.31623836       0.52592636      -2.15728966 
O      10.92445450       1.07563959       6.74911792       1.49013366       3.31026480       2.45025713 
O       1.95187648       3.66963715       3.58345660       0.66535204      -0.92091409      -1.41632540 
O       1.69148851       7.02498446       0.47195332       1.04267581       1.78639526       0.58438354 
O       1.85357859       7.18943490       8.82690588      -0.85550003      -1.84786818      -1.02178365 
O      10.65138244       2.13900178       1.77440377       2.87400976      -0.00115558      -1.37464850 
O       3.40985516       5.17034413       6.72199431      -1.79941387      -0.53124265       0.42559941 
O       3.63024595       1.62731243       6.73158443      -0.80243420       0.30503114      -0.33434772 
O       5.61188867       3.48842217       8.82177111       0.30622528       0.85470051      -0.51612833 
O       0.17387994       5.58077780       1.17576733      -2.76437453      -2.39881133       3.01651037 
O       1.49804784       7.37184715       6.51471424       1.69592219      -0.48539700      -1.32508525 
O      10.60523796       9.22354963       7.00634227       3.81743688      -1.83570448      -0.10032220 
O       3.38640538       1.61858696       4.26010107       0.39750997       3.22099226      -2.04532516 
O       5.07793684       0.04304076       3.46658277       1.46647815       0.94642830      -1.06536942 
O       5.51917988      10.64258489       0.68233216       0.52861205      -1.00584179       1.00718610 
O       3.53653906       1.73603671       1.29612928       2.20505600       1.88688712       0.53908926 
O       3.53478753       2.01805433       9.33619558      -0.48491636      -0.44530027      -0.38411782 
O       4.73692849      10.83201325       8.33317735       0.08602961       1.53156519       0.80557817 
O       0.36333711       9.05430156       9.90345277      -0.67622192       0.93966987      -1.22728110 
O       3.34124453       5.40007983       4.10591978       2.48466264       2.46184824       0.20631086 
O       5.12623483       3.55585449       3.46848674      -1.18669619       2.86821952       1.09878101 
O       5.25901246       3.90030357       0.90442554      -0.51701735      -0.11517241      -0.88609561 
O       8.90064432       6.90934158       6.41966165       1.48960442       1.70103562       0.26941488 
O       3.40221302       5.23518261       9.30503582       0.78131779      -0.16716656       0.32130921 
O       5.47962138       3.48989082       6.13948674      -0.32736098      -0.62807964       0.19902645 
O      10.39038697       5.23035036       9.60854638      -0.24106539       0.87127208      -2.61591998 
O       9.15443557      10.74747971       6.18943613      -0.57716696      -0.33895863      -0.43223234 
O       1.60774425       3.10798471       6.05625614       2.09328818       0.13942749       2.58690867 
O       6.98122521       2.24679414       1.64578277       0.66390522      -1.01478186       1.14515974 
O       8.99510520       0.39019367       1.03368343       0.49630950       0.23036132      -2.20906786 
O       7.36482380       9.18602128       3.94982749       0.69041877      -1.66722217       3.46305976 
O       7.08967219       1.85168649       4.27257941       1.43423425      -0.13949743       0.51158529 
O       3.57933594       8.57462663       6.93904624      -0.08471108      -0.04386179      -0.38125177 
O       9.04094127       7.50464461       9.07098577      -0.77327787      -1.56022871       0.94739225 
O       6.28427132       1.27609813       9.91463979       2.43749470       2.63300813      -1.60077154 
O       7.13590563       9.23696317       9.29212615      -0.30602253      -2.36426478      -2.52688149 
O       5.28451003       7.11185612       8.81021165       1.14594493      -1.06221910      -1.52457110 
O       8.75759731       6.67717485       3.99249867       1.73091481       3.53759653      -0.80039033 
O       5.18545815       6.63351990       6.04915512       1.95967383       1.21195559      -0.15790042 
O       7.45444662       9.06094178       1.81960296      -0.69028103       0.46521960      -3.94772644 
O       9.08764593       7.25379307       1.30754195       1.45713824      -0.87373842      -1.47748742 
O       7.21665563       5.33118456       9.65111340       1.33023070      -0.16610823      -0.91860980 
O       3.75278837       9.01704689       9.45603936      -1.06609094       1.20221648       0.22831129 
O       9.39214801       0.00243837       8.93967138      -1.78175846      -2.97167553       0.95043977 
O       7.16776853       5.21059526       6.76276322       1.06151266      -0.82850076       2.49211880 
O       5.61344158      10.24760903       5.83584278      -0.79852255       1.54124465       0.94919474 
O      10.80738098       5.20008693       6.86005014      -0.60730335      -0.23498886       0.71799903 
O      10.77158740       8.73741581       4.26365903      -0.47235216       1.63230690       1.59162009 
O       1.56057834       7.30261279       3.33921121       0.97566261      -1.50741939       1.12545040 
O       3.52960326       8.95932992       4.12297061       1.04333086      -2.25971700       1.15334549 
O       3.42848442       5.56405062       1.41035638       2.11133191      -0.52608494       0.82568089 
O       5.36168081       7.49879103       0.95885931       0.55918426      -1.74364900      -0.41740590 
O       9.02532415       0.00512292       3.40178945       0.18961564       0.47404069       1.82215822 
O       8.82658494       3.42002419       8.92842335      -0.59112022      -2.53579165       2.03745931 
O       7.25155345       5.49784099       1.71300216      -1.60740571       0.56699783      -0.74789387 
O       8.91378024       3.52207462       1.14400384      -0.60383539       1.89988044      -1.26692443 
O       9.31899491       3.69253136       3.92127066      -1.69041298      -1.07822837      -0.73182415 
O       7.02234943       5.21392468       4.37918297      -0.81372517       0.84179013      -2.55118460 
O       3.53606204       9.72214437       1.57312782      -1.96482466      -1.66230055       0.20223102 
O       9.18679170       3.06132903       6.37928962       0.53762513       2.45539018      -0.33413377 
O       7.51092579       1.56040129       7.34898690      -3.65726590      -0.65953921      -0.72989211 
O       1.47936250       3.55322801       8.86656767      -0.04845135      -1.31961405       0.30463737 
O       7.26329959       8.83886333       6.60823818      -3.29441976      -1.18465533      -1.68679560 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02196641810465744 -0.0012750063778736173 -0.021384951481124497 -0.0012750063778736173 0.0034022060235021 -0.0036057710086390997 -0.021384951481124497 -0.0036057710086390997 -0.007265442048572427" pbc="T T T" energy=-1064.48589484 free_energy=-1064.48589558 config_type=crystal 
Hf       1.61285489       1.86859784       2.34497232       0.59512298      -1.23246956       2.50743223 
Hf       3.70463785       7.20559379      10.25733639      -0.06372491      -0.72741597      -0.24356482 
Hf       5.23930579       5.63979985       2.64030684      -0.34685614      -2.90083844      -1.17675817 
Hf       8.80914014       5.16968896       8.12053304       4.63517456      -0.05928402       2.05527313 
Hf       0.08507148       7.14752524       5.43847060      -4.14356320       1.88150204      -1.50617051 
Hf       0.01412700       0.06987025      10.53997872      -3.23804735      -2.10697877      -1.15044788 
Hf       7.49249867       3.57957741       5.45303126      -2.59866106      -3.14538750      -1.41512374 
Hf       7.19999254       7.32517733       5.00721944      -0.40059872      -5.07428064       2.58441943 
Hf       1.83485774       5.48651259       2.52384287       1.96015652       0.52569770      -0.38812768 
Hf      10.94953706       3.56757084       5.24873774       0.37354976      -2.37100701       1.58128107 
Hf      10.78642259       3.59335129       0.16990318       0.07159034       0.58284243      -2.00017343 
Hf       1.65109736       5.39593573       7.93153975       1.41017336      -4.57157981      -0.98170382 
Hf       8.72332880       9.00048350       7.55847673      -0.12693532      -1.27255875       2.35498522 
Hf       1.79663193       1.58203106       7.73941080       4.19859393       3.76626130       2.71165051 
Hf       7.35303230       6.90476690       0.13673656       0.51317975       1.66173496      -1.01595712 
Hf       9.07755929       8.92067693       2.75949088       2.34161392       1.77053881      -0.93947038 
Hf       5.36728195       9.18800442       2.43234121      -0.08344008       1.17127909      -1.16434218 
Hf       5.26235031       9.14365081       7.77482343       0.86913835      -0.70364548       2.09479927 
Hf       0.31564959      10.81428863       5.39652155      -4.70102992       1.29176548      -2.86948492 
Hf       3.56271941       3.54552035       4.99130995      -0.04093401       1.03080553       1.54765533 
Hf      10.81076967       7.08414839      10.35571257       0.56438538       1.45064009       0.18900446 
Hf       1.49002948       9.00481353       7.91795217       6.66157791       0.57823021       3.60278293 
Hf       7.00054042       3.48648395       0.00632362       2.38672009       0.13723033      -1.85069417 
Hf       8.94876384       5.22702883       2.71408688      -2.18905710       2.97550559      -0.68722685 
Hf       3.46702149       7.24640566       5.40866890       3.87269621      -1.77810297      -0.58208235 
Hf       3.60673876       0.14355888      10.32796876      -0.61313191      -2.25485828      -0.29023616 
Hf       7.57939520      10.82834967       5.04090741      -1.55010370       2.67444597       1.34659182 
Hf       5.15818231       1.97158556       2.54098628       2.85552210      -0.08798769       1.97803996 
Hf       5.28754133       1.73161421       7.89778662       0.35035582       3.89133816      -1.45534820 
Hf       1.76541566       9.12352267       2.64338032      -1.62359788       0.11344720      -0.78186431 
Hf       3.69001871      10.85765993       5.07143730      -1.64750922       1.90430153      -0.89638851 
Hf       3.39376244       3.62675296      10.46092511       0.25605238       1.38724952      -2.43840079 
Hf       7.39206864      10.86542927      10.46779378      -0.41903055      -0.80533808      -0.29381380 
Hf       8.72790534       1.88046100       2.62188275       3.09729286      -2.61872289       0.98692702 
Hf       5.46459544       5.12508084       7.56524273      -2.88249025       2.87568315       0.56330735 
Hf       9.26995662       1.52266751       7.99583457      -1.80469312       1.85258206       0.74586462 
O      10.67738158       9.21436018       1.33533604      -0.24194024      -0.29320270       2.42022976 
O       5.40237479       7.27138753       3.56959489       1.10381828       4.18114514      -0.03380726 
O       0.17220268       5.37081778       4.56998978       0.01113180      -0.16646680      -2.88730798 
O       0.03886323       1.59338192       4.24528000       0.11362188       3.58614285       0.56582744 
O       1.59745689      10.89644921       3.78694508       1.48835629      -1.66094796      -2.28360485 
O       1.63202614       0.03210196       0.87628888       2.80050343       1.92605671       2.10114533 
O       1.75062999       3.33391573       0.96285953      -0.90788096       0.42711964      -1.65546754 
O      10.83856527       2.13951441       9.35941070      -0.83493720      -2.98709909       1.12768114 
O       2.00956409       0.00682592       8.94208597      -1.59936955      -1.19537910      -0.12938121 
O       1.96458138      10.81477574       6.30395829       2.20892801      -1.58746250       1.59227777 
O       0.08373189       1.25368697       7.11139761      -4.03487703      -1.24660515      -2.53726077 
O       2.06830852       3.63484177       3.29272826      -0.71486989       0.05645173       1.40473671 
O       2.01195853       7.55327949       0.62149410      -1.41740262      -0.98010054       0.93733686 
O       1.48034010       7.07905199       8.72373963      -0.92506448       2.44250640       2.00676403 
O      10.73721832       2.04315563       1.59449572      -0.51349821      -0.19249313       0.37246092 
O       3.17538055       5.24708137       6.65697331       1.99814618      -0.17287199      -0.66398885 
O       3.53508476       1.69449506       6.80224102       2.05356492      -0.62523054      -1.28383200 
O       5.37066768       3.61851941       8.80114883      -0.03167353      -0.99423129       0.20277948 
O       0.27266876       5.31713305       1.30422751      -0.46064582       0.89980480       0.84917077 
O       1.78339456       7.37427237       6.24530194      -2.41832394      -0.44081337       1.19588757 
O      10.91333460       8.92863274       6.99837105      -4.50472401       0.66333237      -2.15749256 
O       3.58462221       1.74882663       3.92661003      -0.00068739      -0.48708709       0.61667064 
O       5.37165493       0.04847515       3.38678661      -0.55123077      -1.92093585       0.32342576 
O       5.66611825      10.58494515       0.91524193      -1.74334904       0.52492891      -1.38773006 
O       3.78183579       2.13364758       1.26939957      -2.29414435      -3.12558685      -0.38019492 
O       3.30920940       1.88411165       9.37553882       1.86456224       0.12673161       1.16563254 
O       4.85527290       0.04408716       8.62438314       0.38885477      -2.44971829       1.77609947 
O       0.37806603       9.19303936       9.55212031      -1.30294517      -0.35858236       0.94448568 
O       3.45668604       5.64235841       4.17006749       0.47901644      -2.23066703      -1.65069052 
O       5.42159566       3.73575847       3.57590235      -1.94843872      -1.00530753      -0.99178399 
O       5.26542446       3.82791629       0.62316658      -0.50608373       0.36894730       1.48962517 
O       9.11602087       7.36375899       6.30635598      -1.57140401      -0.90498161      -0.14668878 
O       3.45299058       5.39334617       9.21840766       0.43749498       1.23897494       1.60584417 
O       5.33022460       3.35765059       6.15969810       0.29821336       1.48910823      -0.55988491 
O      10.36298689       5.22970976       9.48928347       1.63804439      -0.28462807       1.72360572 
O       9.12459887      10.74677897       6.23436257      -0.27176777      -0.19043679       2.46899709 
O       1.80408628       3.03857057       5.96473949      -1.56682998       1.06654421      -0.48851843 
O       7.10006856       2.09181166       1.68447839      -1.93330608       0.70223729      -1.16833157 
O       8.99577866       0.42047671       0.91260169       0.11964857       0.47362202       0.89179450 
O       7.43855900       9.04170578       4.37357160       0.27657159       1.82638029      -4.85304519 
O       7.27083820       1.55784076       4.12726355       0.18362308       2.71609801       0.56823252 
O       3.61277288       8.56120279       6.99959286      -0.47155776       0.37534992      -0.41113954 
O       8.99726671       7.23753711       9.05366549       0.53548594       1.25848251      -0.54278510 
O       6.80162022       1.72481940       9.73267248      -1.05311395      -3.17776012       0.39660220 
O       7.16199658       9.24962743       9.04711410      -0.31111791       0.99289539       1.09137738 
O       5.54115214       7.11359363       8.47996862      -1.21299201      -0.11460681       0.81483427 
O       9.16980596       7.13737396       3.68225060      -0.70144311      -1.04572461      -0.61041649 
O       5.55899442       6.58777290       5.88806433      -0.83317360      -0.24471577       0.87707185 
O       7.43426753       8.96778751       1.51581891       0.04485469      -0.71468330       0.66068028 
O       9.24027035       6.84233151       1.00433400      -1.14810104       0.21480748       0.72908266 
O       7.28279108       5.43803361       9.40050177      -0.92872297      -0.88693881       1.95145426 
O       3.55365463       9.10019263       9.46130965       1.04756993      -0.92352039       1.33395004 
O       9.13892538      10.68967224       9.24047814       0.85194212       1.43977638      -3.05014317 
O       7.36727137       4.73509588       6.94998795      -2.05394469       1.86311338      -0.59231279 
O       5.28352760      10.64088276       5.99368130       2.42134261      -0.46644235       1.46054220 
O      10.81638441       5.10503278       7.04332290       0.48957115       1.68825711      -1.22422542 
O      10.50618915       9.13277304       4.57239300       1.43970771      -2.21302377      -1.53676372 
O       1.63140942       7.26077478       3.46531239      -1.06762147       0.90970744       0.30585113 
O       3.35837445       8.95822577       4.41994380       0.25604232       1.34289341      -1.64706778 
O       3.60365913       5.43752152       1.32991005      -2.02288432       0.23605054       1.37609696 
O       5.44737853       7.11952258       0.87865298      -1.39006683       1.73877304      -0.53658038 
O       9.24854607       0.09466455       3.67158791      -2.67186814      -1.61018219      -1.50259513 
O       8.48573600       3.18955027       9.12599584       1.82864650       1.33238370      -1.49925166 
O       7.04321897       5.54712590       1.69380672       2.37039339      -0.33924274      -0.77578408 
O       8.95416328       3.94008590       1.11277074      -0.16508810      -1.07450675       0.87824296 
O       8.90018921       3.68988713       4.03094355       2.90853841      -1.55864127      -2.16519857 
O       7.17272316       5.27913249       4.09133828       1.46253283       1.41486405       1.29468976 
O       3.41300896       9.45565085       1.76372482       3.04955606      -0.10588230      -0.15398715 
O       9.38306198       3.36073920       6.55026283      -1.59242698      -1.84304021      -0.50081391 
O       7.05963610       1.65241416       7.05266707       2.99855202      -0.59860577      -1.22979794 
O       1.73844670       3.57176600       8.86283530      -0.13270120       1.11362925      -0.09863378 
O       6.88817360       8.77024875       6.65169091       2.22951563      -0.11709269      -0.82479052 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.031291707617707366 -0.005639418352945674 0.0009053584112815935 -0.005639418352945674 -0.002462739462538037 -0.006409401670630095 0.0009053584112815935 -0.006409401670630095 -0.01074814269315794" pbc="T T T" energy=-1062.95441515 free_energy=-1062.95441793 config_type=crystal 
Hf       1.57875325       1.85468821       2.36014979       0.39961360      -1.18536489      -0.64742691 
Hf       3.66347440       7.20290048      10.30954891       0.46811736       3.12234691       2.84355183 
Hf       5.25033169       5.60689066       2.64160252       0.87084345      -0.03977070      -1.65299140 
Hf       8.89014201       5.22968456       8.16960894       2.83819114      -0.49359895       1.61932357 
Hf       0.09471692       7.17462633       5.40938179      -4.85117486       0.65809933      -3.06298889 
Hf      10.94401008      10.95190125      10.58083926      -3.18804566      -1.65093514      -0.91548320 
Hf       7.46811873       3.50573725       5.48792159       0.81185648      -3.75879755      -2.89928985 
Hf       7.21044785       7.26441305       5.02178552       2.55502085       1.69422361      -0.79892746 
Hf       1.87425672       5.54089368       2.49706651      -2.40460382       0.85373598       0.79183515 
Hf       0.04063909       3.49977598       5.19472467      -3.73713702       1.15129851       1.87364630 
Hf      10.82954848       3.60456005       0.16798901      -1.84097072       0.46542575      -1.52939750 
Hf       1.72646248       5.44056609       7.89815619      -1.93373686      -2.71389048       0.85268601 
Hf       8.70201270       8.99280740       7.54782913       0.21847755       0.04488395       4.67365182 
Hf       1.83779264       1.59653593       7.77584180       1.22310064       1.40075046       1.53482406 
Hf       7.27153522       6.90736545       0.15201755       3.69165052       2.98998019      -0.87543009 
Hf       9.00930133       8.95051176       2.75373826       2.51925632       4.46694248      -4.07221139 
Hf       5.40538571       9.15663838       2.39134261       1.96513870       3.43216271      -1.16794959 
Hf       5.24147190       9.15375301       7.78386478       4.63540755       0.26029545       3.26953719 
Hf       0.26413623      10.83277338       5.40582564      -2.57566580       0.98938436      -2.14960052 
Hf       3.53681910       3.56938887       5.00296188       0.66452760      -0.10151971       0.33788075 
Hf      10.86738568       7.07623510      10.37683314      -1.98824295       3.47121906       2.43664241 
Hf       1.48747552       9.02223949       7.90137943       2.37458038      -0.61333868       3.01729994 
Hf       7.00411273       3.52893384      10.62548276       3.67356881       0.08624738      -0.68927093 
Hf       8.94360652       5.24763049       2.68972957       1.80719882       2.73499973      -0.21615653 
Hf       3.53400954       7.24408167       5.40131066       1.66434502      -0.02078045      -1.36404360 
Hf       3.62532736       0.11209226      10.35939712      -1.11597115      -2.39818250       2.38142638 
Hf       7.51953994      10.85169559       5.05335270      -0.96035345       2.37957252       0.47727705 
Hf       5.16640161       1.98280286       2.55696230       3.70906644      -0.51137466       0.16750645 
Hf       5.27824407       1.76596401       7.96067628       1.39450028      -0.89434797      -2.53460385 
Hf       1.81970165       9.12151356       2.59393921      -3.18374850      -0.78523137      -0.72070236 
Hf       3.64250484      10.87795877       5.10731943       2.89038283       2.07397876      -2.46131848 
Hf       3.43397578       3.62991464      10.38153158       0.23421362       1.39352304       0.26420239 
Hf       7.33270103      10.94956456      10.48623563       1.97462084      -3.09871346      -0.54341043 
Hf       8.67421130       1.82809011       2.65541533       2.88382356      -1.66656668      -1.54973741 
Hf       5.50394512       5.09232240       7.53436155      -1.78964680       3.46767529       1.33128693 
Hf       9.20784388       1.46967191       8.02980804      -0.63214691       0.82148447       0.73207251 
O      10.62097111       9.07332469       1.22608130       0.27590801       0.89485369       2.08100975 
O       5.44730151       7.53536194       3.49635407       0.55115394      -2.13743425       0.98518402 
O       0.12369061       5.26858943       4.31385501      -0.10070400       1.03037862      -0.49327266 
O      10.69972174       1.72723509       4.49837945       1.30817837      -0.82533382      -1.37483219 
O       1.43446875      10.94955919       3.58377653       0.89014056       0.23163401      -0.30129498 
O       1.72485260       0.00486852       0.87619534       1.30097281       1.42582147       1.44402307 
O       1.74385556       3.26431423       0.77631027       0.03591349      -0.10829141       0.04336094 
O      10.79365114       1.96923166       9.39893198       0.29714541      -1.46984724       0.28226093 
O       1.87273778      10.76402535       8.86995960       1.09110988       3.44011190      -0.52097548 
O       2.12679395      10.77166683       6.23557236      -3.72360208      -0.87037353       2.07119174 
O       0.07319024       1.27147130       7.02759676      -0.98132982      -0.59125968      -0.42179410 
O       2.03093322       3.63568418       3.18487473      -0.05076496      -0.76240472       2.27624734 
O       2.04652657       7.77778305       0.78287262      -1.93791273      -2.70716320       0.50456874 
O       1.19953891       7.05371986       8.83769346       2.38709829       1.51821735      -1.20646419 
O      10.60565210       2.00144986       1.42565289       2.70678195       0.14882844       2.83526734 
O       3.18109399       5.24890796       6.63227927       3.24946420      -0.06256369      -1.83183871 
O       3.62500449       1.65626640       6.67586381      -0.20806610       1.09397164       0.92697562 
O       5.25777629       3.57237734       8.81619099       0.09290665       0.03330236      -0.05158352 
O       0.11201360       5.22878157       1.45754138       3.14037032       0.58798205       1.22795095 
O       1.77680387       7.32546164       6.20919172       0.92901972      -0.65174787       1.88008980 
O      10.88712368       8.81986497       6.87194314      -0.59647710       1.33912021      -0.06214765 
O       3.72184249       1.61009705       3.72640527      -4.40746697       0.69361848       5.06553989 
O       5.45216740       0.03106563       3.45733607       0.54557076      -2.14104586       0.04726960 
O       5.66461979      10.63203787       0.84560561      -3.19640293       0.19917780       0.08138533 
O       3.78063381       2.00333484       1.31166643      -3.18840819      -1.57537943      -2.19336968 
O       3.40565781       1.89070606       9.47942221       0.27820189      -1.36541198      -1.82812288 
O       4.95488551       0.02273633       8.96299353       1.61440605      -0.17392109      -2.63841816 
O       0.21541391       9.30052222       9.44881696      -0.34647428      -1.90055260       0.04352775 
O       3.61975350       5.59600302       3.97667241      -0.53022244       0.02740923       1.88822854 
O       5.33939630       3.79325337       3.52767390      -0.79669388      -0.78526161      -0.05467271 
O       5.24871853       3.79778806       0.63330207      -0.75680899       0.84891355       1.40915107 
O       9.07302361       7.53770072       6.29748321      -0.88058449      -4.03204150      -2.89490988 
O       3.56839670       5.62353972       9.35936850      -1.62072434      -3.93695187      -1.96833973 
O       5.33382222       3.41797838       6.12309937      -0.46979515       1.44996302      -0.39420145 
O      10.51975290       5.30609072       9.55306024       0.32365257      -2.94838663      -0.20042681 
O       9.05721235      10.70848884       6.48104816      -0.74900999       0.65221388      -0.92621748 
O       1.74508439       3.10315958       5.97759335       1.72280037       0.14428682       0.17186143 
O       6.93642065       2.04572251       1.65116477       2.06824408       0.63080025      -1.28511840 
O       9.04922149       0.49589705       0.86044604      -1.49787311      -0.93171786       0.90652765 
O       7.52760805       9.13645776       4.05773746      -2.63100220      -1.72155669       1.14653972 
O       7.40506607       1.73841372       4.11214476      -2.41340136      -0.53708796       2.72149519 
O       3.60688754       8.68051297       7.06347378      -2.35929773      -1.56306254      -2.16633510 
O       9.02963292       7.17318748       9.04038796      -0.02132964       1.08745490      -1.12908708 
O       7.02153672       1.70400333       9.68787688      -3.42320516      -1.41665259      -0.72482902 
O       7.16093593       9.33398896       9.01109412      -1.87672450      -0.04241785       0.51398671 
O       5.53598671       7.06501396       8.41212828      -1.08703971       0.28149805       0.08637818 
O       9.36560228       7.28138828       3.33331477      -0.08170690      -4.73956782       2.81946279 
O       5.73567493       6.57713966       5.90329069      -4.19559834      -1.54542707       0.88231487 
O       7.37960027       8.87593120       1.34897358       0.24902476      -0.69883411       0.78256356 
O       9.32172569       6.63166811       0.90894340      -2.87130922       1.29984320       0.11844749 
O       7.27219904       5.43972357       9.50047602      -0.63659568      -2.56953605      -0.48442657 
O       3.51108729       9.04779403       9.62011403       1.06728091       0.09032392      -0.57439253 
O       9.04266125      10.58974015       9.16986066       1.58853777       2.84100682      -1.73568042 
O       7.35075652       4.66142522       6.97880519      -0.98758246       3.11791735       1.51084324 
O       5.24189820      10.88019149       6.17466479       1.77052899      -2.10177696       1.09698098 
O      10.80418950       5.21288463       7.02355009       1.39854865       1.52461165      -1.06719194 
O      10.53595759       9.21047277       4.56526381       1.25338615      -2.49255781      -1.43550371 
O       1.57163579       7.29645387       3.59166293      -0.04342511       0.26566908      -0.07921123 
O       3.32943396       9.03710875       4.41155582       0.05812687      -0.78416963      -0.04277484 
O       3.53313153       5.37914566       1.48045888      -0.00958805       0.33209633      -0.96262273 
O       5.38669050       7.05621673       0.76271398      -1.51923186       0.84937523       0.95373475 
O       9.09815493      10.92039464       3.71874697      -1.17626224       0.95942996      -1.29486742 
O       8.44987712       3.09905535       9.14300734       2.96827945       3.57879628      -1.59746796 
O       7.20738115       5.54220095       1.57659659      -2.38151990      -0.54311648       1.24486116 
O       8.98503740       4.08768316       1.17823262      -0.73704786      -4.44953990      -2.28722536 
O       8.96624534       3.46441999       3.87191161       0.82984598       1.88690663      -0.32360891 
O       7.37413838       5.43842627       4.03578389      -0.36758658       0.16629510       1.83305600 
O       3.52262954       9.21908857       1.87591806       3.01211200       1.06554756      -0.96142661 
O       9.26637675       3.40091288       6.57460760       0.39115040      -1.31944218      -1.19447995 
O       7.08783662       1.62948917       6.76425563       0.82520347       0.44016241       0.82773229 
O       1.83533805       3.61809399       8.85688710      -0.01719878       0.82633342      -1.28914285 
O       6.93702915       8.66346018       6.62907314      -0.71729115       1.40460597      -1.38001001 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0018212873363131277 0.002775362711122142 -0.010023397334297192 0.002775362711122142 -0.011106639273711714 0.010651479536306564 -0.010023397334297192 0.010651479536306564 0.005415060785038763" pbc="T T T" energy=-1064.58654732 free_energy=-1064.586553 config_type=crystal 
Hf       1.53897497       1.79774386       2.36964680       6.23972682      -0.95213719       0.99953840 
Hf       3.57203782       7.24253885      10.46965864      -0.23291608      -1.43334428      -0.57479611 
Hf       5.28229823       5.54083343       2.59944365      -3.15670575      -0.45025609       0.19697952 
Hf       9.11630869       5.32791518       8.29072863       0.90589229       0.30189063      -3.78634384 
Hf       0.01820515       7.23668944       5.27607085       0.01190240      -1.13612324      -0.94493846 
Hf      10.83002200      10.76352072       0.01746908       0.40558946      -0.51022155      -0.20177905 
Hf       7.43734661       3.30260710       5.52283924       1.26918958       3.58037449      -0.32239943 
Hf       7.25158401       7.18493801       5.04618291      -4.43894732       0.43309658      -0.54008459 
Hf       1.88781773       5.67600702       2.50013988      -0.34177922      -0.33011670       3.66570652 
Hf       0.05548359       3.42277579       5.12085142      -2.21261443       1.08604053      -0.28818224 
Hf      10.86442143       3.61677872       0.14170466      -1.77009983      -2.35045325       0.16232005 
Hf       1.85385775       5.48874039       7.82084849      -0.57828993      -0.30229225      -2.00690799 
Hf       8.66110727       8.95925509       7.61808852      -0.02847504      -0.04632265       0.51489500 
Hf       1.94383379       1.66828447       7.87064291      -1.28249403       2.58260225      -2.86806400 
Hf       7.17876222       6.96353379       0.15268654      -1.10340894      -1.36726836      -3.12122521 
Hf       8.94887274       9.05825043       2.66336656       2.84497456      -1.55388645       1.02594690 
Hf       5.57750119       9.16761750       2.29334833      -0.56277603      -0.88668199       2.47062586 
Hf       5.28454136       9.17522052       7.86712153      -0.27203846      -0.55762511      -0.06117208 
Hf       0.09502325      10.87681858       5.36976952      -1.11100878      -3.01180354      -0.85469110 
Hf       3.49957757       3.62563260       5.03618017       0.14537255       0.51230194       0.32156092 
Hf      10.92700013       7.13902831      10.48477255      -0.93734065       1.46916094      -0.80410729 
Hf       1.52589153       9.04186398       7.91404186       0.30727291       0.95521641      -1.33014754 
Hf       7.09396826       3.61094893      10.59114205      -0.54148654      -2.37513671       0.84329089 
Hf       8.98620137       5.33361022       2.62159353       0.99757872      -1.09316133       0.15998341 
Hf       3.70470260       7.23131662       5.35989529      -2.66882053       0.38801724      -0.41492797 
Hf       3.64320120      10.95560054      10.47538959      -2.57726140       1.48927817      -1.64905953 
Hf       7.35078763      10.94198541       5.10444045      -3.45120620      -1.20561000       1.26251580 
Hf       5.21900695       1.97607894       2.58112595      -1.28640972      -3.05507934      -2.73951209 
Hf       5.28793750       1.78932998       8.02660882      -0.36643034      -3.02737426      -3.36977535 
Hf       1.87322752       9.10275677       2.48912133      -3.59324529       1.24479755       3.35394755 
Hf       3.61216548      10.95224845       5.15604946       1.00316042      -2.08337580       3.02895929 
Hf       3.52246871       3.66053545      10.22624933      -0.03871701      -0.56972499       1.23263610 
Hf       7.22936524       0.07486180      10.51156230      -2.17514628      -0.89686903      -2.92388612 
Hf       8.63592709       1.69651107       2.68541929       2.99417081       4.13903324      -2.09923484 
Hf       5.51299051       5.11952045       7.50754182      -0.90264551       3.13383663       0.61514253 
Hf       9.07371154       1.41089232       8.09342920       2.26643862       4.46567219      -3.58088840 
O      10.59118722       9.06088086       1.42318112      -0.04925803       0.16085426      -0.66770583 
O       5.56337036       7.31959021       3.61151620      -1.44215797       0.10053300      -2.25225445 
O       0.00300260       5.16525616       3.98844456       0.38251516       0.58703505       2.45803728 
O      10.40661335       1.48116344       4.50874559       0.20371537       3.15341874      -1.43775997 
O       1.26400490       0.04962531       3.33394815       0.79058868      -1.11950099       1.87003744 
O       1.85806277       0.02173802       1.01263270      -2.46748013      -2.38054887      -1.99338549 
O       1.77948185       3.15364571       0.46698001      -0.18453180       0.06109348       0.93999658 
O      10.81160529       1.42949374       9.57567620      -0.64316168       2.93420285       0.22626197 
O       1.85886475       0.02141219       8.79088345       0.23759972      -4.01952653       2.33473418 
O       1.74734078      10.60312762       6.36255437       2.90767649       1.03304265      -1.48212948 
O      10.89395694       1.25154354       6.97915116      -0.28693258       0.63598190       1.43435621 
O       1.94867634       3.53383742       3.48017652      -0.41398515       0.57993251      -0.71584468 
O       1.68464310       7.45974363       1.06859247       0.12859139      -1.29142014      -1.64903758 
O       1.34030949       7.23638640       8.80475483       0.62386404      -0.75381337       2.94034830 
O      10.81233814       1.90889960       1.75478009      -4.84827080       0.38254314      -1.68962959 
O       3.61993230       5.23567651       6.41965857      -2.85040622      -0.58346765       3.04431840 
O       3.65713866       1.78954734       6.69231835       0.22541984      -0.84201580      -0.15949910 
O       5.11583036       3.58438895       8.87871194       1.18293501       0.80155144      -0.63418402 
O       0.26317484       5.12447497       1.63463285      -2.08060654      -0.37936574      -3.08993370 
O       1.84444622       7.03267864       6.46058383       0.25438235       1.42679821      -2.77886039 
O      10.76511230       8.96178943       6.76444356      -0.45453438      -0.40052559       0.35270679 
O       3.34871071       1.59737669       4.17439116       1.50491142       0.74203207      -1.75698521 
O       5.65429223      10.75061860       3.67238497      -1.95203833       1.07131327      -1.07710113 
O       5.27469542      10.79244335       0.84492121       4.46059648      -1.47251182       1.97639435 
O       3.49777399       1.53934517       1.29953151       2.57943588       1.74429996       1.72993023 
O       3.60558520       1.70421687       9.17345921      -0.38297987       0.41857003       2.70021402 
O       5.32740912      10.92855292       8.93883647      -2.21066999       0.64385969       1.57477951 
O      10.82737711       9.12028692       9.39155896       1.42003687      -0.30651992       1.74755970 
O       3.67840086       5.58631858       4.05433777      -1.63370502      -0.48275312      -1.51604909 
O       5.07730555       3.59981489       3.42032961       0.09192836       1.88228834       1.53131846 
O       5.20022070       3.81960715       0.95551277       0.82358583      -2.02339001      -1.45869088 
O       8.91455691       7.12614975       5.85112441       3.39000721       1.64177771       2.25268554 
O       3.38659755       5.40079318       9.28683206       0.17391211       3.20487178       1.25994097 
O       5.41006776       3.73433156       5.97401042       1.79076665      -1.41215203       0.73471673 
O      10.91440544       5.12751011       9.54283599       0.25405621       2.87345038      -0.06539805 
O       8.73399140      10.74727188       6.48404076       1.90260979      -0.87910356      -0.18050577 
O       1.84234255       3.24835441       6.09014139      -2.53125908       0.18429807      -0.59746312 
O       6.97999770       1.97563380       1.46258048      -1.12409245      -1.51962402       0.87435972 
O       8.85549705       0.33881682       0.95654506       0.78778833      -1.14239776       0.00162190 
O       7.15992064       8.93269150       3.84977459       2.78104636       0.29234436      -0.14048302 
O       7.11096671       1.81953622       4.22344729      -0.19384280       0.22193203      -2.45382134 
O       3.44118012       8.70403277       6.90193807       1.62821325       0.99734165       1.07802262 
O       9.07813196       7.27550260       8.80410933      -0.47497829       0.66069764       0.54907301 
O       6.86929707       1.75292899       9.30566739       3.34302662       0.34241449       2.48197020 
O       6.95724384       9.39602632       9.07050087       2.69258428      -1.59798859       1.16592213 
O       5.28901996       7.13537427       8.42769169       0.20213475      -0.44989161       1.28260953 
O       9.58876723       7.09188443       3.20312685      -1.68420156       2.28799034       0.01914760 
O       5.36173120       6.45719655       5.89484595       4.45396570       1.62034092       0.35687241 
O       7.36974568       8.65890993       1.18924012       0.02336124       2.69190556       1.43332840 
O       8.96882833       6.53270684       0.62641066       2.98534684      -0.21935411       0.88049091 
O       7.12635178       5.19487494       9.59724329       0.08894559       3.53954216      -0.87927113 
O       3.60745418       9.04433401       9.68797647      -0.32834457      -0.45781020      -0.47958080 
O       9.05526175      10.74410965       8.98054350      -1.55803254      -2.42999578       2.07443741 
O       7.49380014       5.07754023       7.12507532      -1.17118424      -0.34371966      -1.40907379 
O       5.43731478      10.79386993       6.60334161      -1.22577989       1.14598132      -3.38932890 
O       0.02198749       5.67979473       6.81497223      -2.07818459      -1.86321431       1.26422399 
O      10.79379467       9.03136660       4.15604104      -1.70655895       1.76571253       0.80946253 
O       1.55555381       7.38465679       3.71874474       1.00393526      -1.43559621      -1.20713344 
O       3.28153761       9.13770455       4.32912527       0.37966115       0.72304237      -0.70697569 
O       3.53491571       5.36400611       1.34731280      -1.71113637       1.24770457       0.15170858 
O       5.24162036       7.09596707       0.86429118       0.78593540       0.87280592       0.28977172 
O       8.65806490      10.93961278       3.50740546       0.29799960      -2.94897388       0.88370479 
O       8.97331569       3.56867082       8.93309841       0.05486837      -4.00200252       1.46216351 
O       6.94183324       5.41031317       1.64373637       3.72504227       0.39570630      -1.12749476 
O       8.85515238       3.47472476       0.88489656       1.00349833       1.04190084       0.74320963 
O       9.21304907       3.52240473       3.48348787      -1.03671814      -1.61919139       0.55721926 
O       7.64934192       5.43326085       4.21837406      -1.01819850      -1.38904749      -0.65324360 
O       3.59937994       8.92471378       1.75928306       2.77552140      -0.02830323      -1.17072005 
O       9.24771616       3.29993350       6.30888982       1.51035325       0.53320520      -0.52635452 
O       7.29592437       1.68944128       6.59525432      -0.89389298      -0.44465944       2.50408731 
O       1.99964004       3.62832701       8.53265849      -0.44737521      -1.96342635       0.84824129 
O       6.88226043       8.87103442       6.42182922       1.34634377      -1.00834101       1.10231843 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02234271329719306 -0.004217921608808436 0.007572225541490064 -0.004217921608808436 -0.005067612705486809 0.00410336420133088 0.007572225541490064 0.00410336420133088 -0.009529946269204729" pbc="T T T" energy=-1060.28252311 free_energy=-1060.28252867 config_type=crystal 
Hf       1.98702628       1.94218173       2.51314149      -0.56860850      -0.13154283       1.12053713 
Hf       3.40977924       7.11044904       0.63779166       4.39835335      -0.33094645      -2.04685886 
Hf       5.85652060       5.41542382       2.74685311      -4.55190681       1.57149178      -1.87370692 
Hf       9.37720490       5.49723304       7.62384816      -2.96955945      -1.20835818       0.19550080 
Hf      10.63448205       7.31516080       5.33808309       2.75623009       1.89836588      -0.73782018 
Hf      10.43859424      10.50043352      10.53712675       2.97261950       1.59781833      -0.55755591 
Hf       7.23844733       3.70406857       5.35310017       1.72226778       1.24364276      -0.87812288 
Hf       6.87616451       7.47110555       5.31725429       3.94331961      -0.09157731      -0.24294685 
Hf       1.52767955       5.37378971       2.37579748      -0.17182124       4.66151797       1.08066684 
Hf       0.06804344       3.60313215       4.99549320      -0.70197885       1.19318731       0.07791246 
Hf       0.04246326       3.49642476      10.60449473      -3.16557407      -0.50571230      -2.52102262 
Hf       1.87356277       4.89096821       7.77950487      -2.00687163       3.00436868      -0.05013641 
Hf       8.90083309       9.01331769       7.99058810       1.86415928      -0.25197512      -2.49471408 
Hf       1.73264473       1.55520990       7.87091799      -0.84320389       2.08801512       0.49351237 
Hf       7.27480536       7.16854520       0.03417064      -0.67236327       0.42765095       0.72852430 
Hf       8.73346179       9.11602646       2.66208003       1.00865141      -2.78836182      -1.81580311 
Hf       5.28259656       9.22318841       2.45893497       1.19051592       1.26649513       1.95998894 
Hf       5.45022216       8.78927910       7.96088599      -1.75905218       0.91346022       1.56891378 
Hf      10.86202765       0.15647896       4.72474760      -0.87078368      -3.85778744       1.47900326 
Hf       3.92770179       3.44136791       5.43374356      -2.77754070       1.59730296      -0.28584820 
Hf      10.68906111       6.87893616      10.34362612       0.16338865       0.34762331      -1.14102008 
Hf       1.68689554       8.84199521       7.92513301       0.62772880      -1.71703938      -0.33458456 
Hf       7.17913604       3.62738139      10.23504706      -1.21703584      -2.98756469       2.49154291 
Hf       9.07156778       5.65584842       2.80594631       0.91438480      -0.94584291      -0.92374067 
Hf       3.78886166       7.33766092       4.77118559      -5.34375297      -1.73608531       0.83504175 
Hf       3.30564202      10.74739064      10.41549878       0.65249544      -0.43813302       0.00542854 
Hf       7.30109100      10.92642132       5.19221165       0.00495837      -0.47894319      -0.61632401 
Hf       5.47455971       2.02424053       2.48192475      -2.07058417      -2.43990138      -0.33162484 
Hf       5.69053917       1.45806622       7.76815841      -3.62719015       1.61916124       0.62014496 
Hf       1.40809229       9.16561124       2.45374132       1.20154261      -1.87726014      -0.62620972 
Hf       3.46007078       0.06828108       5.55582284       0.67592649      -1.56833584       0.01061952 
Hf       3.62220841       3.64219829      10.55735023       5.41500029      -0.51021258      -3.07132841 
Hf       6.80281321      10.80126940      10.41238651       0.97598248       0.57098593       0.56870934 
Hf       9.11799613       1.72853086       2.25822926      -1.72697230       3.06488591      -0.82707038 
Hf       5.65194940       5.32072793       8.06488661      -2.84612633       2.65182364       1.62663179 
Hf       9.10362109       1.79648161       7.95299130       1.39191017       0.46808617       2.51109845 
O      10.54921336       9.14805611       1.61697500      -0.37309129       1.11846629      -0.79324744 
O       5.68044738       7.33673503       3.72597395      -2.06055466      -0.27702126       0.09530927 
O      10.84042724       5.79421196       3.88694696       0.95894382      -1.52088033       0.73901736 
O       0.22684716       1.89203174       3.96596476      -0.42470963       1.42178684       0.59322618 
O       1.28550758       0.16933429       3.09961686       1.44498073      -1.01711774      -0.29262831 
O       1.52320786      10.24088523       0.66774003       1.21147378       1.40710145      -0.61048953 
O       1.90641576       3.63435423       0.68942734      -1.75016860       0.05080405       3.97269939 
O      10.65452298       1.60737985       9.29217728      -0.06399821       1.98861010       2.09202248 
O       1.33654326      10.90036806       8.90418785       2.30309682      -2.08801845      -0.67993886 
O       1.29519181      10.78847421       6.05118207       3.04783980       1.84756115       0.70411761 
O      10.68960179       2.05618351       6.80165494      -0.12513980       0.20442043      -1.86204546 
O       1.72445084       3.90185198       3.47841646      -0.21510466      -4.01041154       1.88081058 
O       1.57853752       7.14344336       1.16422743      -2.10280417       1.04162916      -2.02285330 
O       1.07007493       6.87245503       8.78357272       2.05379733      -0.18939408       0.43801729 
O      10.82787254       2.10062258       1.34943307       1.93307485      -2.74544068       1.75762471 
O       3.61014333       4.63650338       7.18063406       3.11052792       1.17572570       0.52720234 
O       3.76977850       1.75328539       6.92735785      -2.10128256      -2.00080184      -1.02844596 
O       5.29764058       3.78159356       9.04073702      -0.14892423      -2.84498751       0.56186985 
O      10.76435765       5.37910238       1.07572261       0.59009149      -2.37460551       1.99031270 
O       2.19618629       7.31962811       6.17199808       0.59555580       0.72771854       0.47438485 
O       0.02145930       8.74651378       7.01186244      -1.23999518      -1.14369380      -0.64112204 
O       3.36281722       1.90761227       4.09768613       0.31551133      -0.91378529      -0.22715052 
O       5.92065275       0.26895096       3.42821420       0.25771761      -0.06949410      -0.04351990 
O       5.16321769      10.55186756       0.83678833       1.00176904       0.16701086      -1.19085963 
O       3.67158217       1.19218536       1.42064546      -2.24369010       2.66793571       1.05067967 
O       3.45142781       1.86010924       9.36589960      -1.10156021      -1.56261585       1.17905539 
O       5.34239638      10.72952031       8.89083113      -0.16913947      -1.05715191      -0.68398066 
O      10.77308268       8.82881185       9.59367832      -1.21272418      -0.23335775      -0.28095060 
O       4.21490500       5.30668552       4.76694526       0.12801845       1.30429858      -0.01099473 
O       5.65957335       3.64482641       3.54561098       0.24458900      -2.24974371       3.04128242 
O       5.23515358       3.74820745       1.10931185      -1.17567326       0.27172297      -0.35152711 
O       8.94383309       7.27500126       6.42913443      -0.16771638      -1.58222123      -0.21989747 
O       3.79461476       5.54574029       9.93907905      -1.95539227       0.20636038      -0.04268436 
O       5.60127702       3.19522515       6.33472425       1.30042047      -0.41106149       0.69135736 
O      10.40599302       4.98128049       9.32016354      -0.99185945       0.84765279      -0.71081126 
O       9.11725583       9.99907020       6.03949357       0.36710576       3.43133189      -1.15670276 
O       1.95950229       3.23348186       6.20098698      -2.32918656       0.88854558      -0.34297353 
O       6.88088655       2.02679437       1.25638458       2.52046654      -1.85468073       0.84382320 
O       8.69163145       0.03858933       0.77572982       0.23036948       0.57370734       1.18825928 
O       7.21091896       9.04378183       3.99614952      -0.87392043       1.47929387       2.79274793 
O       7.70409639       1.96202754       4.68364568       0.69160893      -1.66176533      -1.87392383 
O       3.48005617       9.58662227       7.04086165       0.12669587       0.41678428       0.00567361 
O       8.77331840       7.09977023       8.91770060       1.97113763      -0.22971885       0.78091894 
O       6.72308520       1.70766373       9.46637468       1.07375182      -1.50160255       0.83901510 
O       7.26249312       8.98474028       9.28359362       0.11565924       2.52667866       1.46040614 
O       5.85310287       7.25057661       9.19558985      -2.36789680      -0.65213104      -3.20743154 
O       9.04797064       7.41180346       3.84539470      -0.33785971       0.23414094       0.35959147 
O       5.13322531       7.37558851       6.39204868       0.59206217      -0.10723939       0.48633132 
O       7.03481298       9.15236456       1.60191105       2.19552420      -0.26101813      -2.69187383 
O       9.14830755       7.24298531       1.21060962      -1.69680753      -0.07146763      -0.77088975 
O       7.08794038       5.46200873       9.78319137      -0.21210996       0.57171170      -0.79939903 
O       3.69369127       8.70674733       9.51906689      -1.56186018       0.51177995       0.21465869 
O       9.16818436      10.82951265       8.94880701      -1.84611187      -0.92273550      -2.19028548 
O       7.18606396       5.07676323       7.00353664       0.72977156       2.90256198      -2.71487692 
O       5.47833153       0.06307818       6.14380317       0.26606922      -0.00039717      -0.28907149 
O       0.24125430       5.56711731       6.74724913      -0.63224186      -0.28542895      -1.78902507 
O       0.19393150       9.13881144       3.97481584      -1.60317423      -0.48628287       3.28544872 
O       1.91828297       7.15729186       3.55801885       1.55951612       1.14921551       0.23687963 
O       3.86188132       9.56670196       4.14838805      -0.13604130      -1.21259114       0.18446953 
O       3.54964233       5.57572686       2.32658840       0.15865193       0.80796968      -2.63653891 
O       5.55552236       7.11715433       1.29734842      -0.78166759       0.03085519      -0.82685460 
O       9.05809146      10.86034448       3.38514943       0.73200106       3.52673702       1.35311553 
O       7.96878799       3.62890252       8.39729445       4.59447903      -2.15732715      -0.10452505 
O       7.42352375       5.34058360       1.65890364       1.08196667       0.12905403      -1.73717584 
O       8.81184342       3.25200802       0.59269940       2.97646137      -0.36868326       0.29680158 
O       9.58642627       3.53860854       3.37559300      -1.10606740       0.63405066      -1.37872311 
O       7.37492776       5.34299031       4.06156974       0.65054836       1.14828264       2.30955092 
O       3.64205224       8.94317453       1.47408520      -3.07377685      -0.42093351       0.78359864 
O       9.21748351       4.35061259       5.74333115       0.28948541      -0.80747280       1.41034982 
O       7.42827164       1.50780263       6.99949879       1.35313377      -2.04659747      -1.92855595 
O       1.32478780       3.38196809       8.91696135       1.53317062      -0.07523028      -0.68302021 
O       7.15499307       9.01648649       6.59008257      -2.11950656      -0.21241157       2.09753703 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007285970109944075 -0.0048437085395273295 0.0088964304402862 -0.0048437085395273295 -0.00673802225662835 0.001727085087921413 0.0088964304402862 0.001727085087921413 -0.0034644356046266934" pbc="T T T" energy=-1061.40053939 free_energy=-1061.40055072 config_type=crystal 
Hf       1.99232165       1.90436261       2.59991441      -0.01140423       1.16234932       0.67286062 
Hf       3.41304763       7.15657468       0.65105644       2.31557934      -1.02704637      -4.85646307 
Hf       5.80097959       5.46978037       2.65835892      -2.28662639      -1.19113100      -1.11545086 
Hf       9.37279971       5.51163985       7.57120698      -3.19640812      -2.35186195       0.38807810 
Hf      10.57472123       7.33489738       5.35952827       2.26478549       1.06552075      -0.18224061 
Hf      10.52015148      10.48249570      10.52511120      -0.09366438       1.11574300      -2.32237457 
Hf       7.23971056       3.66107953       5.34797806       0.59168260       2.81690205      -0.99517748 
Hf       6.91318319       7.43211928       5.34705046       1.74107197      -0.00130936       0.79216220 
Hf       1.53965051       5.40669287       2.37005740      -0.23699373       1.53418071       0.85503469 
Hf       0.07533072       3.66833372       4.98067425      -1.80638969       2.07547263       1.23929346 
Hf       0.02206834       3.46397408      10.60170462      -0.78795567       0.32217349      -1.25652297 
Hf       1.90148370       4.89209832       7.78257400       1.38978760       6.15606595      -2.80693091 
Hf       8.89558692       9.00259625       7.99089623       0.32823983      -3.34655893      -3.63637018 
Hf       1.76018482       1.51678808       7.87959965      -0.09540608       2.35639790      -0.35593625 
Hf       7.19993841       7.14239597       0.01618414      -1.00828001       1.65487457      -0.38396815 
Hf       8.77395385       9.10566428       2.65337339       0.44991100      -0.19403973      -0.63249104 
Hf       5.26100645       9.24694354       2.44787018       0.06417154       1.65368490       1.12316929 
Hf       5.46303027       8.86397481       8.00350297      -3.41619236      -0.78400550       1.43723000 
Hf      10.92911146       0.12750253       4.69626018      -1.47861068      -1.00837467       2.73431245 
Hf       3.90437592       3.55315899       5.49136284      -1.06954751      -0.96841155      -0.25357461 
Hf      10.68541025       6.81775446      10.34106921      -0.45251223      -0.59680270      -1.21125920 
Hf       1.71487136       8.83330491       7.88944296       0.77541110      -2.85355418      -1.22407599 
Hf       7.23801314       3.61140327      10.24774234      -1.63653068      -0.86300394       1.08851668 
Hf       9.10325166       5.66244875       2.82144212       0.22382510      -2.78389507      -2.59465894 
Hf       3.84249391       7.30902314       4.74555440      -4.78488753       0.35794374       2.67743684 
Hf       3.24909328      10.78498199      10.44901532       1.84290578      -0.79994559      -2.61392142 
Hf       7.32223531      10.91978757       5.15517565      -0.85229516       0.85085495       1.13954875 
Hf       5.42604654       1.98344389       2.55220072      -2.40150741      -2.16998846      -0.08448948 
Hf       5.65568430       1.52633591       7.74081457      -2.57752002      -1.05047876       0.89718541 
Hf       1.41454428       9.17264817       2.50880709       0.66684819      -0.91524694      -1.11842171 
Hf       3.41544469       0.05685791       5.57889404       1.69222466      -1.66957477      -1.22316087 
Hf       3.67903828       3.59183531      10.53704055       2.00525141       0.36222555      -2.20715376 
Hf       6.78274390      10.79251709      10.45152047       0.96931749       0.48124361      -0.44100611 
Hf       9.05534764       1.76213653       2.27044485      -0.97419983       2.58639255      -0.94641549 
Hf       5.69392556       5.23294255       8.01604455      -0.39117326       3.79751001       1.59854174 
Hf       9.08452950       1.83681690       7.96937495       1.78983785      -0.89567272       0.61304841 
O      10.43160114       9.25568676       1.43022910       0.78396360       0.00235648       3.25451205 
O       5.56151781       7.33595748       3.61696888      -0.81217831       0.36413630       0.79549676 
O      10.83780032       5.60652012       3.87843664       1.73619485       1.92788919       0.59092401 
O       0.21988232       1.95893433       4.11925481       0.31673751      -1.22676562      -2.18208423 
O       1.55629290       0.15857353       3.33750929      -0.63397556      -1.99164424      -1.50600908 
O       1.50081664      10.28051396       0.52320307      -0.70620640       0.48460140       2.61854318 
O       1.95120389       3.92923837       0.77740347      -1.38096056      -0.96089862       2.06070875 
O      10.56843731       1.72184091       9.60148936       0.08083277      -0.60322510      -1.86512393 
O       1.46747863      10.78254735       8.89903990       0.77018976       0.16627831      -1.64743230 
O       1.40091523      10.68457617       5.95303590       1.63263234       1.96327558       1.97549405 
O      10.82608397       2.10088421       6.65734766      -1.46550385      -1.08062866       1.87693160 
O       1.74670522       3.92485388       3.63564158       0.99663163      -1.65387326      -0.95795118 
O       1.37785844       7.17411786       0.92925744       0.73043212       0.23434166       1.00081460 
O       1.07197503       6.91198340       8.79005418       1.45084419      -1.65929550      -0.41385760 
O      10.85280379       2.09259359       1.38275478       1.53221463      -2.43919749       3.27123281 
O       3.89926658       4.65787372       7.32714016      -2.31771202       0.10465507      -1.31966562 
O       3.67196191       1.71452909       6.90171571      -1.41636987      -1.33365638      -0.56958919 
O       5.37898099       3.74608056       9.16079689       1.00680983      -3.05126480      -0.27628394 
O      10.81105070       5.25687604       1.17116487      -0.86353185      -0.77967327       1.17821059 
O       2.21407941       7.29539355       6.39210193       0.57779074       0.17434873      -0.43872559 
O       0.00990598       8.75660360       6.88863258      -1.47339082      -1.30951141      -0.03139294 
O       3.53750933       1.67672191       3.90181662      -0.08102667       1.75936118       1.01793704 
O       5.80375858       0.13338777       3.36102500       1.16533478       1.07974989      -0.77795611 
O       5.06248220      10.54354144       0.73193792       2.13649370      -1.49451219       1.72806515 
O       3.57230974       1.22881532       1.27262463      -1.81516886       3.07476449       2.22217867 
O       3.52003571       1.88239495       9.36128948      -1.42001813      -1.82063783       0.40696007 
O       5.18709125      10.69869275       8.97139395       1.72919481       1.52727394      -1.04074831 
O      10.64760306       8.66381658       9.58117894      -0.68386808       3.02843780      -0.08817781 
O       4.23569708       5.37688653       4.89074388      -0.06057470       0.64339879      -1.51877081 
O       5.67749134       3.42461782       3.83100728      -0.23601119       1.96410045       0.13426621 
O       5.18156362       3.80989521       1.18721530      -0.08094196      -0.84533571       0.94288456 
O       8.78568707       7.09380896       6.29764105       2.54653979       1.37198156      -1.07043972 
O       3.73888554       5.42721708       9.74912617      -2.16172277       0.76109488       0.83058141 
O       5.63485639       3.10855223       6.39317854      -0.15817077       0.90651020       0.99038658 
O      10.28515831       4.84390594       9.29470857       0.77784625       1.62665705       0.05837054 
O       8.89726976       9.98835918       6.06826670       1.47988034       2.50847068      -1.04289927 
O       1.98514251       3.22783853       6.11135517      -0.82470463       2.03371468       0.94549790 
O       6.83694455       1.87340774       1.28047988       2.03090428      -0.53379975      -0.24996871 
O       8.64112615       0.08982025       0.90836678       1.51794826       0.52725003      -0.28222035 
O       7.04146294       9.13046757       4.18857694       1.00220407      -0.43793197      -0.99978524 
O       7.74409270       2.03501367       4.65792233       0.64191619      -4.31537065      -2.94310415 
O       3.49515244       9.57634762       6.96907997      -0.37222074      -0.33175863       1.02867682 
O       8.80851915       7.08525681       8.79889825       1.36371813      -0.88985736       1.19615982 
O       6.99898072       1.71928619       9.25831392       0.50468287      -1.79036937       2.38756117 
O       7.17307890       8.85926318       9.25786580       0.94263472       3.39551076       2.31322225 
O       5.58645695       7.24852455       9.25396900      -0.40713504      -1.45148936      -2.86724861 
O       9.06403728       7.35014200       3.80463811       0.36448449       3.22637865       0.27556749 
O       5.11291398       7.37048860       6.38454216       0.69790826      -0.28447107      -0.50003680 
O       7.18589753       9.09716823       1.50521903      -1.14492927       0.04760744      -0.54625130 
O       9.06051690       7.23787203       1.10312067      -0.54113983      -0.50017276       0.30027426 
O       7.02168583       5.50294111       9.75684718       0.52545524      -2.64497217      -2.60141794 
O       3.77186989       8.79055821       9.61094375      -2.98012958       0.16921647       0.43306461 
O       9.11080111      10.62054821       8.84497783       0.30081228       4.31387483       1.42142156 
O       7.42446761       5.39101517       6.84656959      -4.61749120      -0.18145337       0.33694573 
O       5.45954747      10.92291014       6.20420618       0.84195581       1.44424285      -0.31398410 
O       0.11297805       5.42635418       6.48528318       1.39060339       0.30718552       0.46689105 
O       0.17547371       9.17624436       4.11145950      -1.72652726      -1.46066305      -0.22029857 
O       1.99989246       7.45792713       3.64900489       0.58838058      -0.78638087      -1.15771091 
O       3.80587567       9.77601503       4.03107429       0.35102809      -2.78203159      -0.28116034 
O       3.60884209       5.64548777       2.05594387      -1.26986911       0.71709002       0.48977208 
O       5.44182581       7.16334965       1.22614762       0.20295750       0.56364983       0.03434782 
O       9.02046856       0.09759265       3.53647663       0.51869738      -0.75994044      -0.30746406 
O       8.34586184       3.58560737       8.29864404       0.45799067       0.84209609       0.79421138 
O       7.25945973       5.29636245       1.41175324       1.76341455       0.07803082       1.12638891 
O       8.86516781       3.16493488       0.47244715       2.41468757      -0.19690476       1.60640624 
O       9.50742365       3.70969952       3.49670078      -1.07069944      -1.57617411      -4.36989325 
O       7.44389085       5.54207693       3.97284789      -2.31463969      -0.43637893       1.39450733 
O       3.28698023       8.88528795       1.54052272       1.17865638       1.19594263       2.05747686 
O       9.06200758       4.17359573       5.60559451       3.01579065       0.23326805       3.27942643 
O       7.42445019       1.52683199       6.94752404       1.67484747      -1.80846474      -1.72730381 
O       1.59342388       3.46545818       8.84866493      -1.08379306      -3.34265724       2.10792253 
O       6.98800391       8.94841007       6.74204613       0.84831606      -0.80624485       0.32336493 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.002820097061298974 0.004479253745705388 0.00933421841003561 0.004479253745705388 -0.021519753217210346 -0.00705675619230706 0.00933421841003561 -0.00705675619230706 -0.020943160419633056" pbc="T T T" energy=-1062.33994175 free_energy=-1062.3399519 config_type=crystal 
Hf       1.78551312       1.93473867       3.03340255      -0.15824196      -1.71179709      -3.41797280 
Hf       3.30387098       7.32717033       0.00785143       1.37981271      -1.50277300       0.96041085 
Hf       5.26177458       5.58192916       2.25818079       3.04963178      -1.00026641       1.49149107 
Hf       9.12664228       5.26712757       7.47033681       1.93450276       0.76271221       3.33926137 
Hf      10.81081459       7.41929671       5.20451632      -2.56294923      -1.20310142      -0.49415356 
Hf      10.77973604      10.67654410      10.40212910       0.09777494      -3.00406151       3.73168102 
Hf       7.30256787       3.47437636       5.00203567       0.34204342       6.99291044       2.93060886 
Hf       7.08932675       7.24888369       5.29641167      -0.33068015       0.44340893      -0.52715717 
Hf       1.66143631       5.57159163       2.43435041      -3.30380817      -0.58773090       0.95287826 
Hf       0.15086960       4.00044656       5.08297965      -0.83697427      -0.64281081       0.53333452 
Hf       0.20108620       3.18467145       0.02739561      -1.04210826       5.29023683       4.74574281 
Hf       1.90577593       5.49039321       8.06913970       1.54870146      -7.05732783      -3.50875581 
Hf       9.13949454       8.91932386       7.81119821      -1.19193735       0.19011579       1.03262635 
Hf       1.68037223       1.53910852       7.97469891       0.02394300      -0.85859868      -0.73477401 
Hf       7.06154858       7.07027010      10.39185213       1.00249774      -0.41503591       0.06991327 
Hf       8.86566652       9.17586277       2.43411466      -0.14229381      -0.55969726       1.03968427 
Hf       5.31807757       9.32871617       2.71794882      -0.75184681      -2.01022255      -4.99468921 
Hf       5.24113544       9.00173643       8.19904628       5.10083018      -1.09582246      -2.12894872 
Hf      10.93217037      10.93529919       5.15264350       1.03276161       1.65604623       1.21943214 
Hf       3.69187674       3.86977544       5.43437790       0.34094859      -0.74014810       2.32953481 
Hf      10.58972372       6.74548222      10.20983337      -0.58046673       2.89837125       1.79587030 
Hf       1.93816559       8.44340968       7.70338593      -3.06961999       7.16412692       2.32060062 
Hf       7.45978811       3.32656535      10.52016733      -2.80017802       3.66746572      -3.72473136 
Hf       9.04269094       5.62777137       2.48693494      -1.59001940       0.17762646       0.69451458 
Hf       3.61799342       7.30144499       4.92316435       2.25542590       0.01134064       0.75175597 
Hf       3.09313539      10.85052319      10.50752116       1.20253545      -3.31686573       4.55389043 
Hf       7.44955608       0.11152277       4.96252885       0.70189416      -2.53571597       3.25602264 
Hf       5.12378748       1.88684561       2.92063566      -2.87673045       1.36871280      -3.73238006 
Hf       5.46034868       1.65613745       7.68038488      -0.06874209       1.56985018      -0.95725292 
Hf       1.54341774       8.97016989       2.60475209      -0.96529614       2.57770737      -1.59166572 
Hf       3.53815003      10.72687093       5.41317305      -1.02912837       3.12030922       0.03342635 
Hf       3.72871136       3.27593220      10.41988537      -0.94765878       3.23658427      -0.99539866 
Hf       7.05399365      10.93141737       0.09958044      -2.16503382      -2.07211723      -1.45360773 
Hf       8.69323037       1.86832942       2.31158695       4.95162917       1.87867419       1.65139205 
Hf       5.69880909       5.17721595       7.97867968      -3.33577870       1.14224366      -0.24201857 
Hf       9.17367978       1.58565454       8.01216837       0.48023444       2.25788629       0.33954022 
O      10.68728044       9.13362388       1.74105050       0.76051168       0.52550020       0.14843139 
O       5.51611034       7.21876575       3.44918979      -0.74315256       3.02153027       0.25739616 
O      10.57486705       5.57674752       3.81086076       2.64581125      -0.15297200       2.95379457 
O       0.38728868       1.86042236       4.44183986      -0.64870195       0.14521626       1.47369346 
O       1.97614040      10.71341663       3.58730578       0.15980131       1.65668915       1.83846559 
O       1.59111709      10.78569281       1.11158146      -1.75708893      -0.43174395      -0.90123490 
O       2.15813841       3.36123999       1.15719613      -2.01166855       0.34218076      -1.65068304 
O       0.27475292       1.67050328       9.73394732      -0.78025523      -2.29758168      -2.54223447 
O       1.41571175      10.66884587       9.21656661       2.65677487      -0.11212361      -2.75054805 
O       1.71708666      10.77690150       6.39183067      -0.86278562       1.04957270      -0.71521066 
O      10.91356697       1.89125441       6.98593023       0.40633908      -0.73594473       0.43518682 
O       1.66173903       3.94067621       3.66390962       0.88005888       0.44293832      -0.83071255 
O       1.46279461       7.48749627       0.83660763       0.28811097      -0.84807247       1.41027672 
O       1.50996458       7.01032610       9.16002703       1.19207438       3.61334554      -0.50415189 
O      10.72386186       1.92458344       1.89521447       1.54648617       0.69921859      -1.91719440 
O       3.80009397       5.33365152       7.09344586       0.25218470      -0.65380450       0.46263579 
O       3.43102456       1.98974129       7.08712001       1.99383713      -1.37056850      -1.30980750 
O       5.57209079       3.51243225       9.01704359      -1.97368721      -4.49612337       0.92179492 
O      10.86185115       5.38805573       1.33395884       0.42282843      -0.28841891      -1.36782208 
O       2.19977614       7.09501499       6.47103905       0.57341408       0.15870560      -1.33840248 
O      10.93208700       8.84955562       6.87670546       2.59737475      -1.72952683       0.49046261 
O       3.42557154       1.97224029       4.24286254       0.28499864      -0.45123932       2.45109380 
O       5.65427076       0.14777124       3.39481332       2.35534006      -1.00673804       2.22738095 
O       5.04687724      10.86016546       0.78861972       2.43030561      -0.94720598      -0.90515450 
O       3.42206080       1.18410290       2.00598173       1.39145977       1.97276203      -1.04704644 
O       3.54606070       1.46722599       9.60207183       0.26670490       2.24194948      -1.53261030 
O       5.77741346      10.90123183       8.48563685      -0.40459090       0.19483753       1.84417650 
O      10.59161735       8.83540298       9.67131009      -0.10876796      -1.64105092      -0.24988873 
O       3.92831138       5.54731872       4.34243341      -0.55052516      -1.53701138      -1.61933701 
O       5.28695891       3.42993159       4.12576210       2.25692383       0.80433742      -1.83495418 
O       4.98092135       3.75504290       1.15404431       0.83704654      -0.92833222       1.39104705 
O       8.85535265       7.52337937       6.19655182       3.04191900      -2.53737337      -0.61395714 
O       3.48688340       5.43706411       9.77939895      -1.46017700      -1.03221254      -0.29451869 
O       5.55263523       3.55306422       6.43296267       0.94419223      -0.78758736       0.27643147 
O      10.76695247       5.16320147       9.03261890       1.76769939      -0.93566728       1.36142851 
O       9.20329199      10.50120373       6.10028900      -0.14915269       1.64291605      -0.09145491 
O       1.86934077       4.21331287       6.22882954      -1.58392609      -0.64474077      -1.91948671 
O       6.96700980       1.91511165       1.35640092      -1.37445538      -0.50936029       0.10854169 
O       8.89666510      10.75684107       0.98574398      -0.51411626       1.84246356      -0.90416017 
O       7.73190557       9.07799545       4.52385897      -2.39130350       1.73430396      -2.29740793 
O       7.45142178       1.93358730       4.08799843      -1.30968969      -3.57772656      -2.55690911 
O       3.55378260       9.68632647       7.28563413       0.44275575      -1.25988424      -3.29532416 
O       9.02978740       6.99416885       8.85929042      -0.82010142       0.46323895      -0.20077713 
O       7.61378127       1.53711004       9.44562687      -0.93017692      -0.00557995       1.59373331 
O       7.10377684       9.10414698       9.80819036      -0.34375600      -0.83786098      -0.80356801 
O       5.32801948       7.06244193       8.96660888       0.57906834       1.47807617      -1.07075522 
O       9.23635939       7.47198849       3.49561599       0.45008618      -0.49601419       0.53625668 
O       5.22657295       7.33566167       6.15623028       0.08625842       1.11861540       0.15066202 
O       7.01044004       9.17098537       1.64541576       0.04264858       0.14105407       0.72853797 
O       8.81168324       7.19652628       0.99574088       0.63823291      -0.11917292      -0.96584117 
O       6.95495787       5.22065912       9.52789757       1.97985309       1.15510536       1.16772592 
O       3.67214082       9.09319076       9.39799514      -2.23312025      -1.75451603       3.60638661 
O       9.45940394      10.79866965       8.89765739      -0.97101615      -0.00002612      -1.51174644 
O       7.25065626       5.44525098       6.87050620       0.53557247       1.15330578      -2.37764606 
O       5.49814644       0.25987281       5.98951218      -0.10157011       0.80036116      -0.73367445 
O       0.10559185       5.83478795       6.62353682      -1.21648085       0.35850514      -0.71540181 
O       0.44727388       9.18902739       4.45551556      -1.22764228      -1.45636848      -0.73168533 
O       1.65231895       7.18770779       3.87536380       1.29098631      -0.41134723      -1.30388205 
O       4.08015595       9.25231362       4.20832743      -2.08335034      -1.33568003       3.60375207 
O       3.34952485       5.87810797       1.66423227       0.63437893       0.58795214       0.16110904 
O       5.35961921       6.84018095       0.75780221      -0.75190182       1.54853104       0.41656018 
O       9.11003222       0.31640227       3.44846851      -0.08743270      -3.06579429       1.95751168 
O       8.91661543       3.62293775       8.79073953      -0.36155246      -1.51069014      -0.55758967 
O       7.30588304       5.16171376       1.39130538      -0.97067185      -0.50195795       0.19347363 
O       9.13816689       3.38915008       0.69427661       2.41603840      -0.60500964       1.07766393 
O       9.15654164       3.59529521       3.58389005      -1.41257595      -0.42368155      -1.36318841 
O       7.16139247       5.53543124       3.91105896       1.13223116      -1.09637380       1.93086892 
O       3.41372241       9.01663768       1.77570731       1.49594502      -1.60496340      -1.11310390 
O       9.30362222       3.91901269       6.12059146      -0.70347537      -1.12135651      -1.82601506 
O       7.71964351       1.72728111       6.82299659      -3.32341138      -0.02155952      -3.06846903 
O       1.98549989       3.45958587       8.45173885      -0.66820902       0.31042569       3.83919111 
O       7.29116443       8.94975711       7.06746370      -2.67236258       0.08587036       1.02516708 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0033764266621858826 0.004411694876979696 0.007751923981888127 0.004411694876979696 -0.018989490262820343 -0.008483058973369336 0.007751923981888127 -0.008483058973369336 -0.023218646425776132" pbc="T T T" energy=-1062.6813972 free_energy=-1062.68141711 config_type=crystal 
Hf       1.76477418       1.93202234       3.03391094       0.87269913      -1.28863703      -3.73863422 
Hf       3.28593743       7.31345178      10.60329483       2.28766793      -1.20535283       1.59269577 
Hf       5.24560659       5.57818648       2.25652341       2.94121171      -1.67629759       1.56705708 
Hf       9.12672116       5.25232086       7.48771629       0.93888471       0.92989064       2.78877486 
Hf      10.82611673       7.40612694       5.19054396      -2.61781204      -1.41237009      -1.01626841 
Hf      10.78784655      10.67463732      10.41381303       0.10596833      -2.82576048       2.96206209 
Hf       7.30173861       3.48207788       4.98121856       0.54134285       7.64294488       3.12813462 
Hf       7.09854085       7.24612562       5.27806559      -1.04374052       0.03506410      -0.15469365 
Hf       1.66520222       5.57207994       2.43841164      -3.69915904      -0.16999965       0.82342905 
Hf       0.16126706       4.00211406       5.09963785      -2.50963958      -0.42959619      -0.18919067 
Hf       0.22076680       3.17995260       0.04363247      -1.24538585       4.83978400       4.64668057 
Hf       1.89371305       5.50442916       8.09146432       1.73181104      -7.04073164      -3.28133094 
Hf       9.15559789       8.90784515       7.80327089      -1.05759210       0.71736686       1.20991986 
Hf       1.67306052       1.53964953       7.97840152      -0.22034993      -1.15483718      -0.30594607 
Hf       7.07834971       7.06150442      10.37670984       0.51620379      -0.18957148       0.55771794 
Hf       8.86147202       9.17824701       2.42297600       0.33995232      -0.81979516       1.60187052 
Hf       5.32594157       9.32381347       2.72150305      -0.76907827      -1.56030483      -4.19867555 
Hf       5.25164499       8.99167258       8.19142900       5.36626329      -0.55461574      -2.51134424 
Hf      10.92327563      10.94057067       5.19815879       1.24362855       1.45534783       0.98700749 
Hf       3.68522097       3.86647232       5.42701179       0.70181659       0.02806324       1.67895381 
Hf      10.58706426       6.76480871      10.20995486      -0.87918826       2.89066222       1.91854165 
Hf       1.94087534       8.44997605       7.70534793      -2.96999446       7.97723149       2.15943665 
Hf       7.45231491       3.32496665      10.52400164      -2.64242605       3.74607635      -3.08618355 
Hf       9.01742652       5.62974356       2.46265746      -0.55123135      -0.30731132       1.13036274 
Hf       3.60745144       7.29641925       4.93165256       2.68210651      -0.05113045       0.98575590 
Hf       3.09285163      10.83939025      10.52553009       1.05177547      -2.37687496       4.42447818 
Hf       7.46053695       0.11181080       4.96021120       0.58849606      -1.93849878       3.48690191 
Hf       5.11423812       1.89350850       2.92788900      -2.81486363       1.94867628      -4.31789760 
Hf       5.45787711       1.66528373       7.67080347      -0.20441514       1.41642612      -0.63183091 
Hf       1.55326740       8.95893966       2.59054845      -0.27062625       2.57251621      -0.93768858 
Hf       3.54498263      10.73200140       5.40310324      -1.33291331       3.26732611       0.74695182 
Hf       3.70822079       3.27514523      10.42270206       0.07336377       2.96829457      -1.36982333 
Hf       7.06079930      10.93138833       0.10563398      -1.90836348      -1.81942079      -1.25987857 
Hf       8.69306099       1.86625282       2.32585160       5.28357648       1.61085377       1.68082922 
Hf       5.68718499       5.18468652       7.97418532      -3.92514272       0.01315636       1.79330682 
Hf       9.16966452       1.56865368       8.00695803       1.10911678       2.11597020       0.46378578 
O      10.71898776       9.18788851       1.82196833       0.35494598      -0.01495266      -0.56570239 
O       5.55707679       7.16020188       3.47798684      -0.88310702       4.07806455       0.47652429 
O      10.60006881       5.58531084       3.79452101       1.99433185      -0.08925400       3.02188385 
O       0.42196026       1.89629045       4.40814519      -1.37664542      -0.76419433       2.30733703 
O       1.99136749      10.69875378       3.56404645      -0.13465997       1.96804385       1.61784373 
O       1.47118264      10.79630403       1.01259836       0.10406416      -0.41197541       0.44788264 
O       2.23709271       3.32003021       1.13018019      -3.15048940       0.53152860      -0.64944388 
O       0.26664910       1.68856414       9.69469474      -0.97151733      -2.15753552      -2.13333659 
O       1.43457590      10.67668423       9.19667550       2.53123786      -0.24844980      -2.70639143 
O       1.69017807      10.80507266       6.41511934      -0.14534494       0.77946704      -1.11516421 
O      10.94604910       1.89223694       6.95307961      -0.31245692      -0.62142070       0.44104397 
O       1.58648128       4.02512605       3.66118339       1.94152025      -1.17431062      -1.32945389 
O       1.45623175       7.50633380       0.79472533       0.12920027      -0.56591430       2.01406089 
O       1.57670480       7.06364457       9.21341692       0.93607693       2.37603241      -1.76582557 
O      10.74949233       1.97634177       1.86886922       1.47500790       0.63801057      -1.79594001 
O       3.81875346       5.36664869       7.06747209      -0.66706179      -1.08532395       0.40391089 
O       3.38201016       1.90069662       7.09827451       2.68528502      -0.42021435      -1.59622954 
O       5.54027423       3.41838189       9.00849586      -1.20311981      -2.22485895       0.32416974 
O      10.84710076       5.37601060       1.34517999       0.83952293       0.00863957      -1.74428572 
O       2.17971986       7.11567812       6.46052665       0.28325384      -0.29299722      -1.28528609 
O       0.02575964       8.93251028       6.89871429       2.06801398      -2.28970232       0.13713017 
O       3.43719696       2.03138220       4.29941828      -0.03604800      -0.37574433       1.32078388 
O       5.57713843       0.17703921       3.46363684       2.41217421      -2.53507845       2.09588145 
O       5.05157046      10.83040239       0.79230384       3.07284005      -0.70686556      -0.60791393 
O       3.42220312       1.15976261       1.99071306       0.93160254       1.86656388      -0.43199753 
O       3.56495772       1.46541003       9.64731630       0.11197135       1.80854606      -1.56989311 
O       5.72343839      10.91722244       8.44092033       0.11339949      -0.00223592       2.45919481 
O      10.58087456       8.83544440       9.58559263       0.28614400      -1.87605394       0.66662521 
O       3.91947263       5.55830584       4.29107908      -0.76664919      -2.19390860      -1.12588202 
O       5.39196297       3.48219916       4.04170542       0.77635102       0.98510439      -0.93055282 
O       4.99231866       3.73600696       1.17621960       0.64802854      -0.82164114       0.94624159 
O       8.85148037       7.53019378       6.19545129       3.23663662      -2.30465151      -0.82741618 
O       3.48288643       5.41180549       9.73763814      -1.29627615      -0.34103933      -0.19545794 
O       5.57348625       3.59333212       6.39212116       0.33448811      -1.05093740       0.36191084 
O      10.73458001       5.16076354       9.05934266       2.54330634       0.08407000       0.78441968 
O       9.18710351      10.54102539       6.15995234       0.20325905       1.48841880      -0.52632414 
O       1.78902156       4.25165033       6.16631454       1.29524940      -0.95780862      -0.21312279 
O       6.96123248       1.92221234       1.39282767      -1.10989981      -0.67048444      -0.08981994 
O       8.96893909      10.78388924       1.04338537      -1.46143530       1.92761187      -1.49894438 
O       7.69843598       9.09929994       4.50941830      -2.06199422       1.17851024      -2.21385017 
O       7.45253130       1.96403742       4.06313635      -1.18698550      -5.16628618      -2.56496507 
O       3.58788907       9.65776462       7.26252891      -0.42389888      -1.51742568      -3.06832144 
O       8.98602366       7.03816048       8.86971098      -0.54173537      -0.16322706      -0.12911249 
O       7.62075618       1.59789250       9.44442952      -0.74684651      -1.00472746       1.51101851 
O       7.13199423       9.14817071       9.83160711      -0.33772366      -1.05846692      -0.92163023 
O       5.35380246       7.09754912       8.97056872       0.63746660       0.48377143      -0.60315109 
O       9.29381506       7.43704718       3.40727114      -0.07471072       0.58368630       1.34804298 
O       5.22062450       7.27944896       6.21338985       0.28920519       1.61734737      -0.57438983 
O       7.03197965       9.14444041       1.64991501      -0.65572538       0.59780649       0.72128369 
O       8.79600904       7.22518717       1.00046440       0.79715386      -0.17628589      -1.39598227 
O       7.03763163       5.18984099       9.58552652       0.35875542       1.08647601      -0.17296195 
O       3.79421914       9.18421211       9.46767036      -2.71689322      -2.30781938       3.16232029 
O       9.49563083      10.78820667       8.92204935      -1.82384665       0.74027171      -2.20855690 
O       7.16796004       5.50605678       6.90849733       3.14871461       1.21524472      -2.75508973 
O       5.44008512       0.31182704       6.04128540       0.21616794       0.45528111      -1.71610222 
O       0.08615338       5.78024909       6.51466152      -1.37780173       0.95246128       0.66358094 
O       0.41623707       9.18659844       4.45660726      -0.93798567      -1.08678525      -0.68137214 
O       1.69282591       7.16673144       3.85666526       0.90696732       0.18404321      -1.15981386 
O       3.98268820       9.25473742       4.18820407      -0.97381313      -2.00286765       2.81477712 
O       3.35018408       5.86812815       1.64396872       0.32728367       0.69243277      -0.24301448 
O       5.35598379       6.85382380       0.80992300      -0.01261761       1.72240407      -0.74729510 
O       9.09833044       0.25567831       3.48546784      -0.32587865      -1.81928010       1.63559155 
O       8.97986080       3.66764393       8.77770360      -0.82729521      -2.29010356      -0.68857609 
O       7.33662898       5.13186884       1.42553289      -1.60482340      -0.24521144       0.14262945 
O       9.14245135       3.46330160       0.66856952       2.43838381      -1.17637166       1.22229006 
O       9.17974185       3.55000475       3.56755593      -1.44327723      -0.07987215      -1.20082494 
O       7.18792943       5.54938349       3.95890785       1.59730571      -1.16398430       1.88415505 
O       3.49660247       8.98978990       1.75464627       0.07886924      -1.41853193      -1.06346920 
O       9.28252896       3.91630229       6.14266459      -1.02189467      -1.15605568      -2.04327289 
O       7.72087726       1.66538026       6.82170432      -3.52165520       0.22869806      -3.13191787 
O       2.04381923       3.47927512       8.54555518      -0.84572882       0.48703460       2.86176831 
O       7.31226382       9.01950575       7.09432828      -2.87632291      -0.02834587       0.82665871 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0027482232126202297 -0.005545487185778315 0.0016708662860548465 -0.005545487185778315 -0.014555093051074436 -0.009648621668365815 0.0016708662860548465 -0.009648621668365815 -0.007797773290289171" pbc="T T T" energy=-1064.23348042 free_energy=-1064.23348314 config_type=crystal 
Hf       1.84348636       1.83336170       2.67600413       0.20917480       0.57908616      -0.41148719 
Hf       3.79189855       7.05299304      10.51307290       0.56649072       0.43701518       1.13698165 
Hf       5.53896138       5.17210289       2.59529409      -1.21566604       1.11936771       0.15982316 
Hf       9.07041039       5.07038542       8.25271826      -0.65832096       4.09784694      -2.29005303 
Hf      10.77853471       7.40940574       4.88009713      -1.73972180      -0.22629904       2.33262748 
Hf      10.86913601      10.36662253      10.46114152      -1.65960033       2.05583037      -3.61760370 
Hf       7.39326668       3.85323144       5.08544292      -2.94138395      -0.64787919       2.17296978 
Hf       6.74674293       7.35943762       5.39948746       2.11855970      -0.63055727       0.79169057 
Hf       1.55289150       5.50849296       2.67250187       5.33998050       0.15529103       0.41704662 
Hf      10.74199054       3.71622163       5.38140052       1.53797744       0.79385978      -0.55183008 
Hf       0.18741410       3.13945791      10.49165164      -0.17190271       3.65709430       0.97416811 
Hf       1.84076610       5.37407982       7.88414631      -0.39298788      -1.65855407      -1.96009866 
Hf       9.03429810       8.84591023       7.66399868      -1.76484831       0.52482601      -0.39254935 
Hf       1.51097833       1.77885768       7.69333908       0.38419084      -1.93219920      -0.30363899 
Hf       7.35163903       7.23857650      10.33131795      -0.33005512      -1.52766383      -0.74983868 
Hf       9.33943026       9.09116368       2.55125676      -3.10023554       2.53728558       0.71955539 
Hf       5.48161855       8.98517315       2.65990427       0.53039704       2.22450291      -1.56395158 
Hf       5.21629217       9.21450721       8.15591220       0.79110519      -0.41555985      -1.84443905 
Hf      10.85359427       0.13997024       5.17506580      -4.93778740      -1.48670761      -0.06195759 
Hf       3.30196179       3.57650984       5.27435193       2.67558072      -0.53289727      -0.21218693 
Hf      10.91166096       6.97607797      10.56723297       1.18518480      -0.05266554      -1.08589386 
Hf       1.61228452       8.70191530       7.65412285      -1.14732025       3.64310269       4.31656733 
Hf       7.33932317       3.65081463       0.15016970      -2.41002345      -1.95684104      -0.29001147 
Hf       8.97502165       5.38841640       2.51653405       3.78791174       0.27873369       0.94638028 
Hf       3.40426716       7.19619815       4.94363750       3.09927550      -0.40148917       0.97898181 
Hf       3.35031807      10.94771792      10.21533516       2.57828116      -0.25964737       2.38982570 
Hf       7.25105977      10.85973346       5.08597948       0.44484006       1.33598796       2.06620650 
Hf       5.12825446       1.72055149       2.62478234       3.80593929      -1.34564456      -1.42084729 
Hf       5.34863988       2.04929876       7.88642390      -1.00746821      -2.54145632      -0.76664313 
Hf       1.97739410       9.29456215       2.47300489      -1.08884876      -4.95649813      -2.79724395 
Hf       3.75240009      10.89742659       5.20770108      -0.17137866       0.61021750       2.46346617 
Hf       3.70296848       3.58740799      10.54242680       2.82907645       0.85428422      -1.46809846 
Hf       7.09783452      10.80470794      10.39268417       3.02795988       0.61788967       1.07374816 
Hf       9.17903869       1.71833312       2.54119971      -1.85984123      -1.17734518      -0.27015090 
Hf       5.28600815       5.25248126       7.80132674       2.08546441       1.60605350      -0.92587368 
Hf       8.75392234       1.84465339       8.22137791       0.80045502      -3.49801685      -0.46759976 
O      10.82353089       8.94284278       1.30722468       1.09673673      -1.27061790      -0.86232875 
O       5.23731027       7.26934117       3.43672113       0.15822420      -2.44177322       0.84312787 
O       0.05804051       5.51562049       4.03733700      -0.20381556      -0.53754308       2.31510191 
O      10.92604257       1.83515005       4.14792909      -0.02687744       0.58517477      -0.86645705 
O       2.11163052      10.86691928       3.33008462      -0.99967350       3.02034444       2.10019179 
O       1.62352012      10.81475853       0.60027586       0.62793193      -0.23300551       2.04053619 
O       2.07021223       3.66924394       0.86748041      -2.06100862      -0.66653568       0.81074900 
O      10.67824601       1.76546080       9.27733749       2.11064021       0.32081842       0.66306268 
O       1.36393227      10.55608168       8.69936043       1.96927432       1.93592589       0.08559811 
O       1.51527144       0.18403045       5.97585211       5.40171775      -0.62633468       1.63741264 
O      10.66277657       1.52779503       6.83036313      -0.47080875       1.75185889      -0.45800879 
O       1.90456354       3.73092523       3.63002395      -0.19442510      -1.07852537       0.03911072 
O       1.82325468       7.24213490       0.84455568       0.63401976      -0.62140048      -0.20511394 
O       1.81500854       6.97115588       8.97129585      -0.47006580       1.63998871      -0.13873302 
O       0.16851599       2.20144397       1.58915157       0.19656994      -0.14176272       1.11565432 
O       3.57038072       5.31273071       6.71900926      -2.37161318      -1.49772959       0.67401069 
O       3.43669791       1.93162661       6.74570559       0.10731524      -0.31104965       0.81164860 
O       5.56094426       3.65686552       9.13883344      -1.09662245      -0.62793209      -1.27749849 
O       0.08138435       5.59511909       1.65190890      -3.69464883      -0.31003623      -3.09135034 
O       2.07611883       7.50976927       6.32306189      -1.40864344      -3.06500707      -2.21636095 
O      10.76756107       8.74974646       6.73983508       2.89143440      -0.14513975      -1.47205891 
O       3.34580989       1.73569992       4.14866090       0.94813175       1.87049161       0.76444635 
O       5.19717482       0.08262928       3.77928200       1.53172729      -1.70388896      -1.03114611 
O       5.54873665       0.02020297       0.64427237      -5.16694361      -0.56037460       3.53956216 
O       3.54411481       1.14796716       1.64437571      -1.86337276       1.89948848      -1.72975445 
O       3.53331285       1.77791503       9.40393760      -1.11172751       1.65688625       0.41489889 
O       5.25600975       0.18823274       9.03057527       0.31860425      -2.73714516      -2.82663319 
O      10.76248998       8.74819684       9.23949570      -0.16482670      -1.47195720       1.19982224 
O       3.69571451       5.42401760       4.23582752       0.18018864      -2.13068835      -1.31129372 
O       5.48958246       3.38388199       3.60541696       0.21321923       3.02674008       1.18076931 
O       5.41345349       3.35205766       1.11959806      -0.73201923       0.08430913      -0.64842533 
O       8.88296484       7.62904264       5.83298868       0.82384928      -0.52171625      -0.26856856 
O       3.81274114       5.37036541       9.28733800      -2.71430276      -1.52455271       1.58564459 
O       5.48700967       3.49541068       6.25703178      -0.58879556       0.84030400       0.65200116 
O      10.54912034       4.99761019       9.58060168       2.14277835       0.91112547       0.76152006 
O       9.09271078      10.64937684       6.20535858      -1.54298710      -0.46976444      -0.01485866 
O       1.61550537       3.43807048       6.31691217      -1.20601775       0.61529753      -0.55217061 
O       7.19413579       1.45274161       1.95576077       1.63787344       1.76493296      -0.53931787 
O       9.71293257       0.36873437       1.16735586      -1.09270648      -0.88539701       0.32537639 
O       6.97043114       9.00119904       4.27167053      -0.58860469       0.99969112      -1.12756944 
O       7.31741215       1.84428593       4.45502737       1.33013059       0.38814743       0.79202092 
O       3.56213261       9.45246090       7.01066923      -0.30056448       0.54794054       0.53563296 
O       9.02490508       7.01862176       8.81370859      -0.36392498       0.70383907      -1.10123520 
O       7.07888009       1.68278693       9.68175861       1.43594911       1.69970214       0.43946171 
O       7.33715585       9.00325887       9.40029674      -0.69643048       0.27864876       0.27056120 
O       5.38923745       7.00728526       8.90718140       0.29153553       3.00779469       0.49746590 
O       9.28328262       7.22696314       3.25549763       0.81572126       1.56316875       0.78491248 
O       5.07505289       7.16715993       6.36988253      -1.02442969       0.42856892      -0.77140452 
O       7.50279392       9.77172696       1.81011168       0.11211460      -3.12856134      -1.33885860 
O       9.11504130       6.60757992       0.65836770      -1.93442890       1.72148524       1.12273156 
O       7.12696488       5.37165953       9.61956164       1.20921113       0.21875909      -0.19777711 
O       3.88485079       9.05492102       9.78769127      -0.13424558      -1.54725783      -1.93968131 
O       9.11418081       0.02739110       9.13354455      -0.71295615      -1.49858050      -0.64240797 
O       7.16323012       5.55364987       6.61041787       0.29386487      -1.27432804       1.31285082 
O       5.47957909       0.34353579       6.32421801      -1.15467247      -2.08225664      -1.65264887 
O      10.94129639       5.52427310       6.75469995       1.37053009       0.36310253       0.56488378 
O       0.23541749       9.17016488       3.94439278      -1.73455915       0.69099510       0.45643341 
O       1.82153919       7.35869776       3.56410958      -0.00924458      -0.20296856      -0.05062504 
O       3.83661908       8.99800974       4.32886964      -0.51435952       2.32836327      -0.96807527 
O       3.92519626       5.37219068       1.36319508      -0.66528039       0.95876291      -0.37724966 
O       5.78525412       7.21460105       0.94116574      -0.73854832       1.00673148       0.22710240 
O       8.93627356      10.77131942       3.63038459       1.32155746       1.19888614       0.56191106 
O       8.60000664       3.53314599       9.29020400       1.59275791      -1.96936227      -1.12694643 
O       7.39826776       5.02130999       1.60781503      -5.67936633       1.18375511       0.58508551 
O       9.14609268       3.75772799       1.19587166       1.72678282      -2.90433659      -0.57270062 
O       9.13482707       3.81819065       4.10623259      -0.34555222       0.08682847      -2.30576015 
O       7.15319837       5.74770999       4.08061999       0.26882090      -2.45140605      -1.08612237 
O       3.66323063       9.09340057       1.49292851       1.05284697      -0.24720364       1.75973598 
O       9.30794304       3.78814053       6.64711226      -3.12159836      -1.58600122       0.95747141 
O       7.10807531       1.65955572       7.19873610       2.83043428       0.84267719      -0.72105457 
O       1.70516478       3.57247704       8.81152316      -0.22451070      -0.16156679       0.94722951 
O       7.02371214       8.87214787       6.91240402      -0.63106699       0.69657987       0.55935401 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.007168108385120183 -0.0035479574575003063 -0.011945276632762111 -0.0035479574575003063 -0.017206187721198335 -0.000821317658063782 -0.011945276632762111 -0.000821317658063782 -0.007428676018288833" pbc="T T T" energy=-1065.2752229 free_energy=-1065.27522471 config_type=crystal 
Hf       1.81291572       1.92100291       2.61559325       1.24777118      -2.67245258       0.39151296 
Hf       3.75084861       7.11071648      10.47025875       1.90954393      -0.18223049      -0.26067325 
Hf       5.48484892       5.23383590       2.54567569      -4.26802856       2.25764361       1.54987643 
Hf       9.09922281       5.14534779       8.17891963       0.90998953       1.12640269      -1.01767878 
Hf      10.87130979       7.39779994       4.86099320      -0.69807005       2.01439343       3.76592546 
Hf      10.75849805      10.52432232      10.40209636       1.47588613       1.86885705      -0.95219920 
Hf       7.30642471       3.82622545       5.09176750       0.59286778      -0.05766522       1.92034618 
Hf       6.84033894       7.47590121       5.35315799       2.38576411      -1.52563543       0.15022584 
Hf       1.68704848       5.39325775       2.77693350       2.31365293      -0.58856728      -3.45356458 
Hf      10.81480674       3.70300003       5.27933055      -4.15462427      -1.16679950       0.38522171 
Hf       0.21842090       3.22708958      10.48769063      -2.68661669       2.28185480       1.21127695 
Hf       1.80308743       5.34364055       7.92970848      -0.71647500       1.68175835      -1.62409064 
Hf       8.87373551       8.73286151       7.69936699       0.82082253       3.77902303      -2.12551895 
Hf       1.51517229       1.74417899       7.66368980      -0.32287310      -1.82789418       2.44979211 
Hf       7.39428230       7.13945067      10.33609186      -4.52583698       2.70384139      -1.59720547 
Hf       9.17067017       9.15480972       2.59617651      -0.29141650       0.73874505       0.32622051 
Hf       5.31804733       9.06210388       2.62060291       3.80243030      -1.25168938      -0.08179277 
Hf       5.21834992       9.24184484       8.09460211      -1.49136139      -4.83146657      -3.06746575 
Hf      10.82687675       0.15872845       5.22017060      -0.89471848      -1.19461934       0.49460634 
Hf       3.36181880       3.54213604       5.23519342       2.99609587       1.10468596       1.13140194 
Hf       0.04966322       6.93829785      10.61142165      -0.93892094       2.93307860       0.16391577 
Hf       1.61086977       8.76161652       7.73571669       0.27595438       2.28581358      -0.63353589 
Hf       7.28649936       3.68199278       0.10640756       1.14497144      -1.56313814       0.98091006 
Hf       9.09409540       5.45627184       2.49514500      -1.55196115      -1.72171099       1.19895728 
Hf       3.49572128       7.13577427       4.94485984       0.81960803      -0.65621587       0.92423995 
Hf       3.64357053       0.04930069      10.32684155      -5.49438958      -0.54747323      -0.03966987 
Hf       7.28102750      10.85743884       5.06113833      -1.96772511       1.82456909       0.93138121 
Hf       5.11732727       1.72377289       2.65011794       3.07887302      -0.03174524       0.05584175 
Hf       5.21051277       1.85657166       7.92403557       1.84186687       0.82496326      -2.18912367 
Hf       1.99763520       9.24655559       2.39114172      -6.02265360       1.98144755       0.45056211 
Hf       3.63996754      10.84143650       5.17155005       0.59164010       0.45912804       1.38556793 
Hf       3.72402920       3.60909331      10.62605311       0.33274402       3.44780487       0.57665512 
Hf       7.03632633      10.74972372      10.44354138       1.17958871       1.16917331       2.43771396 
Hf       9.21302015       1.69266957       2.55036711      -2.17438997       2.35982436      -0.49646335 
Hf       5.42380538       5.12897668       7.75137544       0.72219218       1.61649764       0.68962715 
Hf       8.74643183       1.76002848       8.12887606       4.65791299      -1.61704910       1.63027305 
O      10.83586943       8.84920908       1.44895846      -0.73732654      -0.17144289      -0.41260838 
O       4.98425110       7.07840438       3.31918926       1.26602017       1.85341794       0.98752338 
O       0.28731453       5.35150936       4.26829061       0.13639920       1.24081394      -0.32992717 
O      10.80909209       1.85318023       3.94116815       1.51559354      -0.98396122       2.41038548 
O       1.99925176       0.04450941       3.53367801      -0.23669863      -1.64358218       0.79555696 
O       1.52883037      10.84086022       0.82607716      -0.22234416      -2.06946901       0.20555066 
O       2.00188196       3.86449586       1.09588104      -0.07682912      -0.37845104      -0.51035024 
O      10.89487582       1.61706660       9.43731787       0.70759640      -0.29839885      -0.26584157 
O       1.55283891      10.73316438       8.87674526       0.42493560      -0.44889341      -1.33917157 
O       1.80345467       0.25138202       6.25736086      -1.00882096       0.27334952      -1.45989612 
O      10.63402825       1.63247249       6.74677646      -0.53068485       0.38700397      -0.12590538 
O       2.20583623       3.53142699       3.66895064      -3.15935222       0.66718597      -0.29199523 
O       1.86727797       7.03565933       0.66290607       1.04092932       0.43857070       1.44568648 
O       2.02520586       7.19786247       8.85115955      -0.86749334      -1.33522458      -0.24820318 
O       0.33865840       2.39808708       1.61106304      -2.91391225      -1.87724776      -0.05989066 
O       3.40975853       5.20030681       6.66421793       1.19750561      -0.50458735       0.62847837 
O       3.43917035       2.19362171       7.06965476       0.17250377      -0.00954321      -0.85838005 
O       5.38089303       3.50865385       9.07985694       0.42044275       0.60989816      -0.51202199 
O      10.86676875       5.67491569       1.59198622       1.42557561      -0.48163811       2.88006276 
O       1.77958439       7.28062442       6.07555851       0.88430194       0.28562600      -0.87170503 
O      10.89406935       8.79072321       6.50425573       0.23933793       1.38384550       1.96361542 
O       3.74398117       1.79026518       4.21285528       0.01597328      -0.76283513       0.69477947 
O       5.46261263      10.73806774       3.66089566      -1.11121443       3.90767399      -1.34289778 
O       5.03248708      10.48624857       0.79507492       6.62045703       1.60405514       0.18714208 
O       3.29074668       1.11163586       1.55430429       3.19202331       2.82593070       0.40605367 
O       3.33759574       1.97782127       9.65387279       0.48341333      -2.68162251      -1.48108163 
O       5.39928936       0.02908358       8.81127976       0.08192866       2.81314092       2.96344314 
O      10.58278452       8.85641966       9.37192294       1.00420858      -1.12920773      -0.42765297 
O       3.59088466       5.30392943       3.95231340      -1.88918275       1.23782180       2.12065533 
O       5.36453791       3.67264282       3.75851825       0.66346045      -2.04897639       0.67646149 
O       5.41761601       3.25754003       1.06022202      -1.00630167      -0.49629960       0.37141057 
O       8.91212917       7.54067867       5.96960258      -1.44982222       0.49547668       0.36124889 
O       3.85533368       5.37243960       9.44731965      -0.77140154      -0.68427937      -1.33573146 
O       5.73773751       3.55252167       6.50569256      -2.21856473       1.42687585      -0.60005595 
O      10.68606158       5.24913365       9.87487787      -0.35009568      -1.47126985      -2.33955038 
O       8.82904719      10.62205794       6.21697108       2.45224795       0.48294206       0.18985874 
O       1.51270730       3.51032924       6.30646705       0.94345298      -0.18382981       0.36765266 
O       7.11749758       1.61172401       2.19868560      -0.30643461      -0.31429645      -0.51095978 
O       9.39362882       0.36152631       1.10915890       0.16813236      -1.75327513      -0.75553614 
O       6.92192071       9.03418131       4.15372413       1.36792040      -1.41776231       0.07176225 
O       7.37461693       1.96502346       4.65701057       0.45676520      -2.09908431      -0.25956615 
O       3.48193359       9.30983065       6.96347392      -0.41035443       0.47141693       0.10066944 
O       9.02714569       7.16538823       8.70809725      -0.98896529      -2.73055500       1.71044032 
O       7.10478128       1.80727547      10.08748466       0.15271906      -1.71701201      -1.15911620 
O       7.44159896       9.10571599       9.45396809      -0.84952034      -1.78902183      -0.01697147 
O       5.40870286       7.44824706       8.96242680       1.02044321      -2.08948182      -0.81227952 
O       9.14838567       7.30007527       3.56531651       1.38275240       0.03053240      -2.20840340 
O       5.07567125       7.18401803       6.24798980       0.63355378      -1.18573947      -0.23551920 
O       7.31902915       9.45912850       1.60476334       0.88864850      -0.62911597      -0.58231254 
O       8.80907287       6.46303512       0.72528555       1.99795701       1.34081141       1.37172824 
O       7.26138153       5.36749778       9.49392633      -0.72303744      -1.26153095       0.19105920 
O       3.76159502       9.01153131       9.56850577      -1.40755095       1.58795381       1.41103836 
O       8.87754787      10.91417766       9.04046630      -0.08535046       0.34456334       0.00998315 
O       7.51963997       5.46138566       7.00626170      -4.13624158       0.83508351      -0.61029153 
O       5.35262217       0.34294055       6.14386652      -0.39770026       0.33181964       0.52712513 
O      10.93323179       5.85677741       7.09113140       0.28332677      -1.78279987       0.72207874 
O      10.86836263       9.38348258       4.09367230       0.25210978      -1.60124061      -0.77266290 
O       1.77039417       7.37277107       3.36779047       0.05024793       0.32498895       0.69954738 
O       4.07245870       9.06172929       4.47375737      -1.81874851      -1.33503318      -1.39047791 
O       3.89305629       5.30961176       1.36569109      -0.82408937       0.83511554      -0.30444161 
O       5.61283078       7.11337057       0.83554027       1.01382332       0.86168978       0.01754707 
O       8.98164290      10.88491419       3.64857835      -0.41430749      -0.20749080       0.66992414 
O       8.93188919       3.40080036       9.29082824       0.28554043       0.83761469      -0.47611778 
O       7.14737558       4.96453369       1.80903518       4.33683462      -0.79464897      -2.61636325 
O       9.14661748       3.32126549       1.25681898      -1.25246628       1.74570726      -1.48616553 
O       9.22928882       3.74003164       3.88552310      -0.90411967       1.02226666      -0.76935639 
O       7.27530430       5.61806315       4.18427017      -0.83652858       1.33080181       0.26253091 
O       3.66648095       9.23037007       1.69235916      -1.69558667      -2.66172927      -0.97707485 
O       9.17816857       3.94756096       6.52661139       1.42145967      -1.96403697      -1.21710974 
O       7.22960923       1.93630658       7.20723335      -3.32065799      -0.73004898      -0.22541844 
O       1.49622225       3.78391689       9.06989194       1.64107234      -1.35596761      -1.67042713 
O       6.80942604       9.23058481       6.86361553       1.85764184      -1.76320875      -1.08599381 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005336486451619055 0.0018554356313822953 -0.00901679300050363 0.0018554356313822953 -0.0008897366005055117 0.001948187702577666 -0.00901679300050363 0.001948187702577666 -0.008718186003129576" pbc="T T T" energy=-1066.06681424 free_energy=-1066.06684042 config_type=crystal 
Hf       1.69719933       1.84611405       2.48643336       0.16990756      -2.98206460      -0.16887146 
Hf       3.74602567       7.25476815      10.33329580      -2.59822316       0.04982236      -0.53502742 
Hf       5.31359306       5.51393305       2.52674916       3.63181477       0.00042750      -0.99535847 
Hf       9.15440434       5.28231258       7.90104005       1.88821294      -1.30462763      -3.18395111 
Hf       0.09232216       7.52173870       5.04058939       0.44325001      -2.48048798       1.73859489 
Hf      10.61123933      10.85513260      10.25754090       4.61943399      -0.35245107       3.90189410 
Hf       7.15052105       3.75422569       5.25030871       5.98128050       2.26886601      -1.28368986 
Hf       7.19255856       7.46881487       5.21688082       0.78313864      -3.32445170      -0.28795515 
Hf       2.04379107       5.22011340       2.72028348      -6.67898863       1.78791896       0.56941477 
Hf      10.77504490       3.55533189       5.05470247      -0.36717724       1.37660952       1.65875119 
Hf       0.06621675       3.55416058      10.51142232       4.18976016      -0.52313630      -2.15299954 
Hf       1.78210449       5.24655351       7.90045800      -0.64416243       1.11172591      -0.37878441 
Hf       8.61363634       8.78790982       7.78094712       1.72920490       2.86249680      -2.04729494 
Hf       1.56301572       1.63218106       7.81837831      -0.50665534       6.80176906      -1.28862354 
Hf       7.23977772       7.08108126      10.36472150       1.17852703      -0.70683627       0.66941271 
Hf       8.82176923       9.26443381       2.62429967       3.38982365      -1.36609354       0.78162855 
Hf       5.24599552       9.07958418       2.49663348      -0.87158126       0.66273003       2.66276495 
Hf       5.15261370       9.03505790       7.79267580       0.36867770      -0.03360672       0.80240473 
Hf      10.69227341       0.01304027       5.36161570      -0.85311790       0.01759887      -0.03677304 
Hf       3.65008989       3.53236439       5.34504860      -3.59648442      -1.62021509      -0.22380236 
Hf       0.16626157       7.11955128       0.16391842       0.39828617       0.89780687      -1.84216411 
Hf       1.63803496       9.07905829       7.97766716      -0.05987078      -3.32212190      -1.33537977 
Hf       7.19244331       3.48012486       0.07623395       0.67514089      -0.03087953      -1.46739000 
Hf       9.21777396       5.56738705       2.51996977      -0.91532067      -0.15348351       0.69832696 
Hf       3.72946173       7.04534597       5.05926944      -2.47728543       3.59654939       2.00135069 
Hf       3.91267289       0.04554519       0.03829714      -5.25984125      -0.72228055      -2.17059944 
Hf       7.23691185       0.00337730       5.13282541      -2.27658915      -0.35615026      -0.20809469 
Hf       5.39501805       1.87584523       2.74703242      -3.46966746      -5.25781040      -0.39137354 
Hf       4.98126372       1.54151150       7.87876613       4.42511795      -0.01759774       2.22553254 
Hf       1.52619720       9.14379379       2.31307426       5.11283046       0.39470280       1.27842124 
Hf       3.35651423      10.71692025       5.17032006       1.71980548      -0.05718979      -2.58257674 
Hf       3.71690846       3.80403002       0.05039793      -0.62358944      -4.70283103      -0.79039078 
Hf       7.23078087      10.63581627       0.04346251      -1.52666271       0.98937090      -2.87458764 
Hf       9.07875809       1.83983922       2.54333252       2.32165335      -1.11067057      -0.67450099 
Hf       5.60974404       5.06981549       7.78592787      -0.45017776       1.65862067       1.04810100 
Hf       8.96067411       1.49339395       7.94332221      -2.07868658       1.21609705       1.06891527 
O      10.83719861       8.80371232       1.54727703      -3.88848879      -0.47161429      -1.72217327 
O       5.39453369       7.30740319       3.52248727      -0.51768082      -0.35740791      -0.33202316 
O       0.08179388       5.38637935       4.50214530       0.11027756       0.99347100      -1.58547164 
O      10.85719342       1.71106678       4.19740687      -0.36010935      -0.10179364      -0.77765607 
O       1.91658720      10.77295712       3.34246018      -0.08626823       1.83614958       0.11159673 
O       1.64161669      10.77752019       0.59544434       2.32881119      -1.67234870       0.18278547 
O       1.82972026       3.37391970       1.05119928      -1.35913948       1.27992889      -0.49747644 
O       0.21821503       1.66854271       9.60317916      -1.21580663      -0.63213815      -0.40847670 
O       1.76247441       0.00541632       8.51516549       1.33141410      -4.67300700       1.78605440 
O       1.62567845       0.44659264       5.78857243       1.14218005      -0.30335224       1.40190066 
O      10.70282919       1.46125026       7.06344434      -0.18175419      -0.60247800      -2.54045636 
O       1.77911340       3.44665878       3.68180418       0.51226757       0.32494868       0.57201178 
O       1.97382080       6.96072829       0.83727450       0.16877212       0.41902149       0.48211242 
O       1.91671210       7.23929335       8.82281116       0.37959367      -0.80370014       0.55325205 
O       0.00748908       1.31431956       1.52624181      -2.26403147       1.33309929       0.77672213 
O       3.67166664       5.23488263       7.02564783      -0.99099443      -1.31804758      -1.32525198 
O       3.44463991       2.14081182       6.86859362      -0.12637792      -0.24684473      -0.37773796 
O       5.31457033       3.42570093       9.16076479       0.50265439       0.07923374      -1.73285340 
O       0.09559504       5.35639048       1.80263270       0.54047136      -0.06291929      -0.56781212 
O       1.99418713       7.29327203       6.24111656      -0.13677595       0.04283197      -2.04930740 
O       0.03768689       9.38592106       6.70222267       0.20478825      -1.05824690       0.12938728 
O       3.82895525       1.58790512       4.27150705       0.06396404       2.03675329       1.04383068 
O       5.63687296      10.82062964       3.94533334      -1.38577661       0.41894368      -2.10836284 
O       5.25626579       0.04153102       1.40855317       3.32774477      -1.63511829      -0.66048666 
O       3.56891470       1.89047204       1.62043718       1.57004980      -1.05393116      -0.30117578 
O       3.71555660       1.60471831       9.45258579      -0.60740879      -0.07383702       0.98497355 
O       5.40807508      10.67478249       9.15887580      -0.44758413       2.64749534       0.60915046 
O       0.16277483       8.99341852       9.35060085      -0.99536778      -0.42751635       1.79298834 
O       3.51109375       5.25826734       4.20729780       0.87406918       0.65854947      -0.30622386 
O       5.37382531       3.62591625       3.20921429       0.04564787       3.63171185       5.21048770 
O       5.55105417       3.64304924       1.02442334      -1.69060694      -0.12059648      -1.00775398 
O       9.17083035       7.42239539       6.13660989      -2.28063622       1.83854960       0.41991904 
O       3.54365214       5.33852234       9.65343371      -0.59968190       1.43947575      -1.06363552 
O       5.45871799       3.79560354       6.02072647      -2.34859740      -0.52118265       1.92589581 
O       0.03030945       5.42303539       9.79788426      -0.31378195      -0.71573877      -2.17016034 
O       8.67888896      10.84262885       6.41342019       2.68399420      -0.14793513       0.98025776 
O       1.35859221       3.63157677       6.34828185       1.75506374      -0.07582045      -0.02251084 
O       7.16039832       1.82884936       1.96705918       2.17626364       0.06918557      -1.66811342 
O       8.92389832      10.63551147       1.02016079       0.67548216       0.46815140      -0.05500567 
O       7.29298334       9.12461246       3.98048833       1.03140516      -1.34068567      -0.28154824 
O       7.56221170       1.89003819       4.73284764      -1.13071392       0.40452467      -0.93826804 
O       3.58411199       9.12098175       6.54820187      -0.68972313       0.69276228       0.80477881 
O       8.71619393       7.16383314       8.74430005      -0.25861328      -1.11682332       1.19896312 
O       7.49473370       1.58499137       9.89703221       0.17422656      -0.85942557       1.33615110 
O       6.98565100       9.09430564       9.16832062       2.11031499      -1.79766574       1.68732453 
O       5.20000585       6.93822861       8.51868401       0.69512295       1.87650007       1.47511816 
O       9.51469963       7.21467796       3.60610912      -1.86556831       0.85097770      -1.81408766 
O       5.39893416       6.94095085       6.07007798       0.00229377       0.67732232      -0.52130712 
O       7.35740276       8.62166764       1.24218402      -1.32224502       1.84252878       0.65456826 
O       9.17851927       6.78276943       0.66039019      -1.76389197      -0.24003684       0.79608968 
O       7.06219969       5.20365716       9.43555866       1.61887775      -0.46330640       0.75199790 
O       3.75191299       9.05783783       9.45172101      -0.70047017       0.54465837      -0.35060759 
O       9.19708465      10.65172230       8.93924505      -2.23112982      -0.91980146      -0.57236155 
O       7.38324698       5.46957757       6.71123903      -1.36554069       0.03103328       2.40658156 
O       5.39764519      10.87211035       6.59041770      -1.04902590       1.90001672      -0.29227545 
O       0.03431025       5.84342927       6.94376127      -1.34348187      -0.68531293       2.57599163 
O      10.64700059       9.36027931       4.09244571       0.54887804      -0.45020792      -0.28326062 
O       1.65118095       7.31117337       3.44753177       0.22445301      -0.29699192       0.45806716 
O       3.59422689       9.13814312       3.85748189       1.15637336      -0.97791692       1.55901846 
O       3.51764193       5.16425664       1.59018311       3.40511810       0.22864926      -0.65729193 
O       5.44126848       6.87423045       0.71556586       0.07087253       0.08652923       0.25676136 
O       8.88863523       0.12690269       3.60046023      -0.68908802      -1.37775227       0.33497130 
O       9.61475125       3.33145808       8.39916356      -0.50518516       2.50345435       2.30397994 
O       7.18849454       5.37804063       1.71344635       1.73007911      -0.29573199      -1.15867632 
O       9.35765929       3.36135941       0.61657532      -5.54497969      -0.31682951       2.33051981 
O       9.16578850       3.53961759       3.37640761       0.09787269       2.74705729       0.41087048 
O       7.19991234       5.60371966       4.23840208      -0.12359993      -0.61105778      -0.52084808 
O       3.64024034       8.65670832       1.47513280       0.19983314       1.15521958      -1.20295464 
O       9.00633970       3.96897939       6.12107316       1.33162150      -1.05282207      -1.13202908 
O       7.16082736       2.09436638       7.48877642      -2.06856185       0.15220127      -1.51979791 
O       1.78522936       3.44500902       8.95712133       0.21254568       1.07195054      -0.07994362 
O       6.87752306       9.03557765       6.60464302       1.66014863      -1.69534767       0.14282150 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0005482697216998363 0.003888387253391134 0.003473494143998435 0.003888387253391134 -0.00700264253912149 -0.012270719535392686 0.003473494143998435 -0.012270719535392686 -0.006924723451812836" pbc="T T T" energy=-1059.90215376 free_energy=-1059.90216329 config_type=crystal 
Hf       1.90898933       2.05058807       2.72671966      -2.35062378      -3.61137151      -1.30600621 
Hf       3.64851409       7.45984804       0.36852529       0.74774419      -1.63940525      -0.01969033 
Hf       5.43796973       5.50200580       2.95263756       0.55916613      -0.47732342      -0.08669884 
Hf       8.77073026       5.37234450       7.83109506       0.48667382       0.68477165       0.47932423 
Hf      10.84459424       7.08104555       5.06001931      -1.93858683      -0.28683940       1.45507079 
Hf       0.14739249       0.03665067      10.38969210      -0.82385608      -0.95049154       1.35942477 
Hf       7.02416090       3.22495404       5.16966244       2.61576333       5.81405296       0.45188273 
Hf       7.07729355       7.30554505       5.57678588      -0.09048622      -3.01775652      -0.38252231 
Hf       1.81484431       5.15981420       2.11420886      -2.47691729       3.18097192       1.05213075 
Hf      10.66294168       3.53024758       5.25329705      -0.38501004       2.38511382       1.01919490 
Hf      10.61412262       3.54664214      10.52015054      -1.51130031       4.59416306       3.38635526 
Hf       1.41281696       5.13443397       7.88710606       0.61306437       2.31685845      -0.23764440 
Hf       9.12052982       9.01842603       7.65994850       2.66993504       0.30585263      -1.18321237 
Hf       1.83461036       1.70660286       7.74046424       0.10329607       0.20399692      -0.14350366 
Hf       7.26950858       7.29356598      10.42792387      -0.57950810      -0.87065254       0.90843137 
Hf       9.24626525       9.08269316       2.21274469      -1.16813443      -0.05145153       3.02329156 
Hf       5.77665081       8.96429013       2.95863285      -2.83857614      -1.23696211      -4.70188885 
Hf       5.53085076       9.19633482       7.86256126      -2.05485223      -2.78707378      -2.10514038 
Hf       0.04378149      10.71039431       4.88427060      -0.52837307      -0.69681922       1.11294438 
Hf       3.57667648       3.42599960       5.16671555      -1.50438697       1.13751265      -0.08491039 
Hf      10.75001131       7.36301190      10.25847752       2.09482790      -5.73647967       3.90313483 
Hf       1.69536518       8.85689877       7.78400870       0.05188899       0.05875588      -0.64890317 
Hf       7.18938921       3.59569971      10.61833433       2.05895913       2.51121691       3.16317128 
Hf       9.07938412       5.44491025       2.80825514      -1.50517462      -0.22011315      -1.50333121 
Hf       3.40522965       7.23377186       5.07695301      -0.94296921       0.51092814       1.79639841 
Hf       3.73446479      10.74994525      10.36824204      -0.45676570      -0.07127351       0.68201578 
Hf       7.41309254      10.91701680       4.98430767      -2.94535695      -0.27569345       0.30071170 
Hf       5.29995876       1.65515195       2.15546022       3.65049946       0.62394553       1.24390915 
Hf       5.62974849       1.73998952       7.89249348      -0.87098468       0.41206579      -0.66199124 
Hf       1.91527303       9.21032486       2.67338567      -2.03029601      -1.05776529      -2.91352188 
Hf       3.51762725      10.86234921       5.46149492       3.18577779      -3.08440578       2.20156982 
Hf       3.37902881       3.43221680      10.32258634       0.36978350       0.41764288      -1.75682881 
Hf       7.23971362      10.85806695      10.61276782       5.01412845       4.49047527       3.06177435 
Hf       9.21680402       1.86225607       2.76312430       0.50036917       0.99632325      -3.89196861 
Hf       4.83838839       5.53257315       8.13093586       0.10622295       1.15766937      -0.35994049 
Hf       9.13848780       1.58015014       7.93603263      -0.19541905       1.94030692       2.43296067 
O      10.88884005       8.85145078       1.38963482       2.01552832      -0.51525989      -2.53752115 
O       5.50875557       7.23841008       4.07918210      -0.49719074       1.47977659       0.19242515 
O      10.65642429       5.35747874       4.10325636       0.90116113      -0.48916857       0.02440416 
O       0.06375132       1.81558011       4.11639710      -1.00394721       0.39946095       2.25471651 
O       1.27193572       0.02582001       3.28344733       0.76536738      -0.94878040      -0.36482171 
O       2.04729864      10.77937712       0.82859092      -2.77037960      -0.11028145      -0.54398296 
O       1.59293349       3.72677620       0.51537757       1.73114552       0.50376253       3.27002766 
O      10.61091712       1.90142377       9.69728684       0.95364805      -4.50556396      -1.83983925 
O       1.23562612      10.89114651       8.67129997       0.65664147      -0.12781871      -0.62594897 
O       1.72839851       0.10265060       6.20651852      -1.80926287      -0.34757677      -0.75463035 
O      10.61233526       1.84657058       6.75723476       1.45775670       0.32505913      -0.08961766 
O       1.89088300       3.67955299       3.77635435       0.76795715       1.27478999      -1.10730102 
O       1.55272902       6.87708766       0.96085469       1.75474380       1.78709562      -1.35293713 
O       1.59161154       7.28855317       8.95665599      -1.86644363      -0.45442416      -1.39063965 
O       0.07766774       2.31384015       1.79037161       0.29467019      -0.84068193      -0.86336645 
O       3.22324304       5.58524883       7.12083637      -0.26056600       0.01893680      -2.02255431 
O       3.72086500       1.49293468       6.75968453      -0.67906417       1.97320570       0.82395327 
O       4.76049474       3.48927093       8.60086127       0.80078111       1.13853171      -0.37653890 
O      10.78995251       5.19840146       1.62723400      -0.46130573      -0.08190444      -0.45558088 
O       1.50161632       7.51738457       6.03037091       5.17862100      -0.79870950       1.27377554 
O      10.85480063       8.88773081       6.45084490      -0.85625623       3.72863451       2.29160127 
O       3.21297223       1.22834772       4.19989969       0.03578072       4.59552229      -2.62343996 
O       5.55591272      10.86436303       3.45481678      -0.08060628       1.20088189       0.36904812 
O       5.52402616       0.02953595       0.74175306      -2.63691476       2.16071489       0.11788719 
O       3.56451148       1.94539491       1.39508846      -3.13399748      -0.61982693       1.02565490 
O       3.16697499       1.58956791       9.42394563      -0.10050530      -0.51839820      -0.12888200 
O       5.05484959      10.90601018       8.51102730      -1.33744894       3.65763925       3.46598498 
O      10.81814744       8.88758981       9.31513656      -0.80317823       5.17713350      -2.42572617 
O       4.06125236       5.47846760       4.79587474      -0.28639903      -3.11103580      -1.10642399 
O       4.84297786       3.42437197       3.57829579       1.01110343      -1.28707957      -1.62311132 
O       5.21486898       3.15817251       0.45019916       1.84874485       0.42240505       1.12499200 
O       9.28837782       7.19249381       6.44944931      -3.50462195      -0.02103566      -0.24588467 
O       2.88388686       5.45126046       9.42979827       4.09623388      -0.86144704       2.66833396 
O       5.28440606       3.46438241       6.06209614       2.20445755      -1.15148893       2.14224132 
O      10.39013542       5.47774505       9.35334143       1.19106202      -0.46415212      -0.34934823 
O       9.05752909      10.68461615       5.96600381       0.88216852      -0.27971187       0.62427748 
O       1.56648099       3.57984703       6.32702385       1.70233135      -1.49415683      -0.29356866 
O       7.50359721       1.51059707       1.57762197      -2.51178054      -0.06731013      -1.27143632 
O       9.48085874       0.09603558       1.05063977      -0.49935398      -1.47309114      -1.84774292 
O       7.17258084       8.96209444       4.22485786       2.35534189       2.90370284       2.81982469 
O       7.23571797       1.90349456       3.81847484      -0.03299056      -3.13420382       1.97279230 
O       3.71089230       9.24958832       6.94891899      -4.22909187       0.86292561      -0.42262273 
O       8.62761204       7.47648473       8.79831748      -0.01468523       0.17975527       2.38676836 
O       6.97712252       2.02377983       9.55494593      -2.45840442      -6.16090785      -2.84549129 
O       6.71681398       9.47461185       9.51548980       0.39807622      -4.55150879      -0.85126502 
O       5.34941852       6.94974917       9.71578055      -1.02808492      -0.25799667      -1.81208556 
O       8.74272213       7.27881384       3.73851617       1.74747078       0.09041788      -0.29918797 
O       5.03810542       7.44498688       6.61888291       1.58588548      -0.54862071       0.00400368 
O       7.32465100       9.31662359       1.55056352       0.38083336      -0.03278343      -0.98825786 
O       8.76239176       6.93488604       1.16261990       0.52077009       1.92494734      -1.33422226 
O       7.67199860       5.44367387       9.77365344      -1.65863760      -0.31485728      -0.20824907 
O       3.33835817       8.96889801       9.56108481       0.55841788       0.04886448      -0.16615710 
O       9.17647137      10.84075723       8.99455550      -0.96688896      -0.87045462      -0.90572714 
O       6.82720982       5.85329427       7.07189418       0.83322326      -0.88847015       1.39226741 
O       5.68119808      10.76073351       6.31281639       0.97943839       0.75867843      -2.49442543 
O      10.80630127       5.39980560       6.54481408       1.22147224      -0.50539748       1.83496376 
O       0.27121501       8.69773876       3.94364301      -0.23433816       2.73095378      -1.02971175 
O       2.14346679       6.87681409       3.47823470      -0.06884097       0.23873675       0.18567642 
O       3.21788303       9.19212771       4.04790733       2.55364869       0.22333796       2.51583340 
O       3.75034529       5.56098589       1.78560185      -0.47866912      -1.05413895      -1.54690861 
O       5.50831613       7.22438257       1.52687349       0.71512026       1.01878124       0.11368373 
O       9.54502113      10.83501377       3.37665569      -2.18758796      -0.69401109       1.80074816 
O       8.66518717       3.32390392       9.05115960       2.39044640       1.44804188      -2.07646640 
O       6.92161668       4.81898685       1.87073376       0.32118660      -0.06187827      -0.76388916 
O       8.93105456       3.49125233       1.09711411       0.41071427      -0.13362021      -0.46328645 
O       8.99991127       3.65461308       3.82650452       0.79763440      -2.90398373       0.06334747 
O       7.22229578       5.23183731       4.36499496      -1.57185352      -0.05159030       1.03752799 
O       4.00988493       9.34189547       1.43256610      -1.82089470      -2.45640228       0.47656759 
O       8.87286637       4.09997557       6.31624488      -1.40942269      -2.77212017      -0.72225824 
O       7.55068095       1.60738390       6.75669066      -2.82440905       1.16582788      -1.31748156 
O       1.65048305       3.49156063       8.87597264      -1.07711649      -2.39428342      -1.30661242 
O       7.23807822       8.92776031       6.97074862       1.61160075      -0.62622020      -1.41855769 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.026386224297100917 -0.0029385338974982503 -0.00603844138305379 -0.0029385338974982503 -0.002008630845201758 0.006676592543622767 -0.00603844138305379 0.006676592543622767 -0.016561575837219955" pbc="T T T" energy=-1062.71774277 free_energy=-1062.71775243 config_type=crystal 
Hf       1.38771928       1.51758688       2.42311758       0.29896092       2.59819774      -0.24382966 
Hf       3.71447831       7.30040997       0.01371704      -0.78194169      -2.77456865      -0.98691892 
Hf       5.28390449       5.46893917       2.49688953       1.18130422      -2.16363408      -0.50067343 
Hf       9.08014633       5.37280345       7.91932575       1.12284370       0.30136962       1.86618603 
Hf      10.85407973       7.25627011       5.36394930       3.08742859       0.48456703      -3.33909990 
Hf      10.56193087      10.75917535      10.52392234       2.45567521       2.47935338      -0.19536621 
Hf       7.30774819       3.67120233       5.13805339       0.48116825       0.04395329      -1.13554149 
Hf       7.19060664       7.51914049       5.27766839      -2.67807843      -0.27329293      -6.19417832 
Hf       1.68182905       5.36519801       2.98596128      -1.82260388      -1.86079905      -1.64266192 
Hf      10.89179466       3.67854296       5.41635675      -2.15170715      -4.34506065      -3.22803931 
Hf      10.77855487       3.61201166      10.50321280       0.70048310      -2.15639824       1.79032676 
Hf       1.83809009       5.29765296       8.07909493      -0.59728370      -0.34467598       0.12315884 
Hf       9.00958377       8.97829979       7.67494113      -0.47947492       2.28582513       1.41041705 
Hf       1.80685366       1.92915275       7.64390275       0.25807506      -4.49743352       0.62535898 
Hf       7.23809981       7.31480955      10.36546075       0.31458893      -0.02740631      -1.30263717 
Hf       9.09458426       9.21009720       2.36402416      -1.96439037      -1.03372332       5.11903711 
Hf       5.56228779       8.81742222       2.49601679       0.21089267       2.10129457      -0.55235077 
Hf       5.22409996       9.16916109       7.88272500       1.97997206       0.85859229       0.22749172 
Hf      10.95243875       0.02390117       5.08078221      -0.58350052      -1.64874397       1.19201462 
Hf       3.60621495       3.60981838       5.54692870       2.82847447      -2.04050177      -3.17200845 
Hf       0.08355440       7.07153902       0.00138464      -1.35350491      -1.06440072      -1.99065929 
Hf       1.62777707       8.97856000       8.09427760       2.14043446       0.23802723      -0.02477731 
Hf       7.05399496       3.46583232      10.36588219       0.03119285       2.11685426       4.63471428 
Hf       8.75892112       5.51636276       2.17066076       4.18579337      -0.77956810       3.17995628 
Hf       3.64006187       7.14114479       5.63544180      -3.43821052       0.35766461      -1.67476580 
Hf       3.60409058       0.07966217      10.51832490      -0.87399846      -1.34178477       0.36490605 
Hf       7.51288461       0.01966580       5.25166327      -1.77001763       0.96701606       1.42896293 
Hf       5.08102731       1.70531805       2.58960768       1.69097434       0.33438663       1.94001416 
Hf       5.42784924       1.71362314       7.87851571       2.14255418       1.01708983      -0.77926356 
Hf       1.99810444       8.85476903       2.46012744       0.01688526       1.13981111      -1.92353145 
Hf       3.61442176      10.57917243       4.76373945       0.22016498       1.05398352       2.34955981 
Hf       3.48001059       3.41882473      10.48216770      -1.01939433       4.09180867       1.07336462 
Hf       6.91214292      10.76330839      10.29156805       4.06266602      -3.01852635       0.60385944 
Hf       8.84930001       1.85102650       2.63120342      -0.96415636       0.85451657      -1.23991394 
Hf       5.61262744       5.24771529       8.01572207       0.10657170       1.90407942      -1.29947297 
Hf       9.26680491       1.79249593       7.90797706      -0.33104665      -3.24208245      -1.66678452 
O      10.94268999       9.22244713       1.98808111       2.27152031      -0.65643209      -2.12542065 
O       5.72594885       7.26467271       3.57982477      -0.53545719      -3.10030918       0.41948026 
O      10.74809106       5.32131945       4.33628135       0.64704044       3.99160509      -0.83710954 
O      10.73384574       1.55967370       3.89767109      -0.23620694      -1.51210841      -0.86567022 
O       2.15911963      10.77574038       3.30418440      -1.91077332      -0.59820536       0.14025921 
O       1.72941424      10.62664708       0.58008203      -0.19621290       0.29363142       0.28559942 
O       1.97361702       3.50373877       1.11490982      -2.73569381       0.18679340       0.43465233 
O      10.92632228       1.60716982       9.33808733      -0.69670954       0.35701671      -0.76991655 
O       2.67165314       0.09022628       8.70223345      -2.08940329      -0.46209580      -1.39629012 
O       1.76951068      10.69120575       6.06738874       0.44158594       0.04869526      -0.35002545 
O       0.15636491       1.72371460       6.59514091      -0.24853630       0.70152628       0.44177462 
O       0.97173957       3.36343108       3.72341597       4.05896112       1.61764210      -2.26556406 
O       1.75225827       7.64501375       0.68080754       1.88036255       0.59172530       2.61825481 
O       1.85821780       7.02699040       8.97016970      -1.39025472       3.74912329      -0.34104462 
O      10.88719873       1.57102203       1.12886336      -0.44419422       1.04734596       1.35295102 
O       3.55205846       5.57237345       7.20044482       3.35609533      -0.86862703      -3.09346621 
O       3.71752692       2.39789349       7.20622487      -1.91693403      -0.80129422      -0.92778367 
O       5.60985886       3.55836528       8.84879343       0.43049333      -0.94347538       0.37524248 
O       0.08662602       5.44073514       1.37815370       0.05453719      -0.35866062       0.65260229 
O       1.69233684       7.04739584       6.31785570       0.18193966      -0.19659442       0.39388206 
O       0.02400569       8.72866700       7.06663602      -1.95219231      -0.25852805      -0.92783167 
O       3.83297073       1.79250382       4.40427559      -1.54002124      -0.43272665       0.73201107 
O       5.01555184      10.64550082       3.36444169       1.01903370       0.77915878      -0.93182561 
O       5.60549158      10.88395564       1.00663316      -2.24363718       0.03489400       0.42398955 
O       3.24612925       1.50918232       1.60039875       3.05453580      -0.05892497      -0.92125614 
O       4.16925387       1.87892332       9.64866788       0.02352939      -2.43552993       0.25757869 
O       5.55912129       0.08036697       8.92361224      -2.40254523      -3.45685458      -1.43530817 
O       0.07009441       9.10055681       9.58284971       1.00960432      -1.95231371      -0.55376759 
O       3.15675338       5.33759700       4.36812679       1.00363720       0.70907297       1.09791807 
O       5.14442004       3.61624429       3.55011119       0.21328320       2.36807740      -0.65034416 
O       5.10828102       4.01512223       0.73497122       1.26796314      -1.11215785       0.24734633 
O       8.97379644       7.41085916       5.71239661       1.85263159      -0.44741904       4.18219083 
O       3.39961021       5.41186739       9.56427660       0.32872574      -2.26951739       0.88385378 
O       5.55302504       3.41571706       6.25811137       0.59988984       1.87150995      -0.18412166 
O      10.89006833       5.31132122       9.46482540       0.31399452       0.40358931      -1.04561524 
O       9.40325487       0.11936551       6.33753594      -0.89226221      -1.97325039      -0.65762178 
O       1.74061500       3.62901340       6.32038711       1.74883379      -0.09017275       0.57863682 
O       6.92808708       2.11548451       1.71219202       0.68671250      -0.28323714       0.57484115 
O       9.14537945      10.78411581       1.19384280      -2.32318476       2.51061455      -1.51631284 
O       7.34232500       9.10092405       3.93536780      -0.99976561       0.80259485       1.44553223 
O       6.74987733       1.78473262       4.33046016       1.60941284      -0.47146179       0.62228718 
O       3.53886436       8.82721359       6.97385813      -2.25586282      -1.39432137      -0.35085220 
O       8.96523586       7.25200231       8.79391389       0.09328712       0.53920698      -2.21137884 
O       7.05974653       1.64280323       9.84685951       1.46597332       1.01228795      -1.78806238 
O       6.91557248       8.97762315       9.07512629       1.31488565      -0.57537270       1.69891955 
O       5.50073436       7.01867019       8.91614122      -0.41283796       0.31272081      -0.06172708 
O       8.48755765       7.32210713       2.62679462       0.35377884       0.53791333       2.66229278 
O       5.44916666       7.33046732       6.16079703       1.34041897      -0.41664406       2.68164192 
O       7.63328547       8.89982185       0.97307103      -3.07917177       0.86234573      -0.81264414 
O       9.13755347       6.94663394       0.53992004      -0.24776534      -1.05607507      -1.14466594 
O       7.47303567       5.25279997       9.37627191      -1.47399226       1.68605365       1.49097945 
O       4.00073503       9.05506980       9.81683354       0.40317271       1.19870514      -3.65020712 
O       9.04761895      10.65245405       8.87153673       0.26606151       0.20982206       1.12239569 
O       7.46179481       5.11870839       6.97357530      -2.18219620       0.36646760      -2.55331512 
O       5.18528241      10.67602654       6.03006097       0.34548728       0.42753230       1.78203877 
O      10.87158950       4.99304668       6.76599773      -1.84346937       3.95087649       4.21553674 
O      10.38651786       9.05321944       4.39099880       1.05570262       0.26260768       0.95471783 
O       1.38956602       7.34255124       3.55339917      -0.38144553      -1.63029054       0.51529309 
O       3.73902062       8.60279648       3.98497781      -1.51650227       0.12194237       1.44180604 
O       3.57078478       5.74328990       1.60699405      -2.69514963       0.87503849       1.92090938 
O       5.52491940       7.03365603       0.91257820       1.91791709       0.80596746       0.37183393 
O       8.73982569       0.08888953       3.72337845       0.86119019       0.45746658      -1.43504943 
O       8.98559966       3.58425463       8.78287216       1.29703873      -1.45393281       0.98281618 
O       7.12413210       4.95691763       1.58304999      -2.72466380       0.19940050      -1.54934785 
O       9.01468335       3.35779115       0.80698514       1.06651912       0.65656897      -0.64213531 
O       8.86283560       3.66758794       3.49956753      -0.01779856      -1.82357232       0.18034731 
O       7.60544824       5.57750864       4.25026649      -1.61403793      -0.52500574       1.52074966 
O       3.83527664       8.84161558       1.40687474      -0.83943851       0.49381658       2.58109593 
O       8.97224879       2.83602469       6.21471763      -0.27949604       2.92618207      -2.13027696 
O       7.40956438       1.19404349       7.23042965      -2.07446179       0.89728556      -0.23039258 
O       1.88769316       3.29250063       8.94773996      -0.84151722       3.02136567       1.56751023 
O       7.24394133       9.48519896       6.70906158       0.71822912      -2.86414266      -0.52129472 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016699060729422423 -0.004422963484800839 0.0019167375557300357 -0.004422963484800839 -0.00788627134859263 -0.0003832000367683808 0.0019167375557300357 -0.0003832000367683808 -0.01234496755427877" pbc="T T T" energy=-1064.08617501 free_energy=-1064.08617685 config_type=crystal 
Hf       1.33664559       1.48287871       2.47077589       2.57993115       4.28961358      -1.11258386 
Hf       3.59877681       7.18590838       0.24008636       2.18650528      -1.61131371      -5.28427727 
Hf       5.30895768       5.52473435       2.49360443      -1.19878924      -3.25487832      -1.43635276 
Hf       9.13256641       5.37469599       8.05628371      -1.37475062      -0.52094508      -0.62134266 
Hf      10.83049562       7.25035245       5.18585689       0.50115580       1.53648547       3.27706207 
Hf      10.58018050      10.90022322      10.48105537       1.52432385       0.38138364      -0.74250368 
Hf       7.33861048       3.83662752       5.11251467      -1.97335135      -1.42771476       0.03195658 
Hf       7.04928728       7.43609302       5.20798817       1.72465550       0.90348510       0.56001967 
Hf       1.76745545       5.25408237       2.98986670      -2.74201662       1.24300704       0.36308351 
Hf      10.77251965       3.44394596       5.36932236      -0.14865371       5.38523672      -4.32576539 
Hf      10.91281638       3.62908297      10.53924787       0.83757715      -0.45893861       0.60834420 
Hf       1.85581668       5.28862269       7.98599658      -0.74117807       2.09840878       0.65432953 
Hf       8.97206988       9.03304605       7.70199183       0.71046391       0.43707781      -1.04763359 
Hf       1.77916533       1.87814446       7.56121051      -1.52510152      -2.68067619       3.05446043 
Hf       7.14634550       7.41325382      10.33395055      -0.10926849      -0.24617211      -1.40424077 
Hf       9.10736684       9.19596144       2.35760488      -1.64294536       1.34946203       1.84296193 
Hf       5.51415239       8.82046974       2.48374103       4.44541437       2.18436024       1.53443879 
Hf       5.23803785       9.19858409       7.89382508      -0.98660116      -2.83083045      -0.33850795 
Hf      10.89934444      10.88379908       4.94711382       1.97072617      -2.03859915       2.23148902 
Hf       3.57019940       3.48684286       5.47252634       3.40338398       1.24683479      -0.32808766 
Hf       0.12144364       7.20433089       0.13550381       0.29994351      -1.50430108      -2.66263277 
Hf       1.66719720       9.09422906       8.12627345      -1.44281453      -0.59642085      -0.01751965 
Hf       7.07416726       3.55038920      10.39683564       1.37900080      -1.78117042       2.10635613 
Hf       8.78337787       5.49193713       2.17549642       3.22914567      -0.08130647       1.84501837 
Hf       3.53618891       7.15235596       5.60757161      -0.17403207      -3.30735403       1.18678275 
Hf       3.54963948       0.05153823      10.47176584       1.46352948      -3.58925417      -0.43567817 
Hf       7.62959899       0.00607203       5.18135041      -1.23407772      -1.13722007      -0.29601864 
Hf       5.19614846       1.69170358       2.55886532       3.99086120      -0.42425014       1.60499623 
Hf       5.52741791       1.80737341       7.77687653       0.02834914      -1.73326082       0.59771611 
Hf       1.99553844       8.91796762       2.44288699      -1.09941012      -0.16712535       2.66776640 
Hf       3.62322217      10.50742192       4.89881554      -0.95634362       1.94357339       1.95725167 
Hf       3.57701217       3.31452164      10.52079221      -3.72470817       0.64972076       0.84186498 
Hf       6.92420044      10.71734655      10.34792662      -0.02553508       2.95520881       0.34798732 
Hf       8.91673069       1.92254529       2.65854504      -2.56620906      -0.77795112      -3.61047020 
Hf       5.67554994       5.34934665       8.03878763      -0.67399740       0.37712242      -1.01804167 
Hf       9.37582554       1.75200245       7.74958424      -4.39634283      -1.01475806       2.49848570 
O      10.94318981       9.05326206       1.71734741       0.00030230      -0.58617637      -0.40267650 
O       5.66069207       6.98993556       3.67192506      -0.62165816       1.86185660       0.75998825 
O      10.75862065       5.56326354       4.43883249      -0.83515608      -3.85582822      -0.72247265 
O      10.56305506       1.56803565       3.90138072       1.62409026       1.02245808       0.53265610 
O       1.79684754      10.74872234       3.64751460      -0.70936798      -0.69697947      -1.51976846 
O       1.68535085      10.72610795       0.56119419      -0.46430987       0.89620874       1.84019750 
O       1.82048084       3.33687166       1.21432307       0.77432699      -0.03721760      -2.25265464 
O      10.73146587       1.72652832       9.24183695       2.61313475      -0.00265569       0.60399090 
O       2.34712689       0.02302644       8.49349264      -0.31747932       1.15548377       2.13338831 
O       1.55402632      10.78769448       6.23916677      -0.03599601       0.88239777      -1.35387051 
O      10.88974808       1.99141120       6.57476831       2.05575517      -2.32628792       0.66274399 
O       1.15509218       3.51147162       3.42638017      -0.65013147      -3.80377652       3.25718043 
O       1.97364057       7.77058880       0.90721810      -4.14824462      -0.86255662      -0.05664214 
O       1.66275783       7.24167157       9.11120367       1.49975060      -1.29058427      -0.19997674 
O      10.82627702       1.84289003       1.30186936      -0.56999667      -1.42156794      -0.00187035 
O       3.90464982       5.17116615       7.03430366      -1.31459646       0.61518585       0.52268582 
O       3.53230216       2.36658967       7.29132649       2.58696742      -0.30833851      -0.79321133 
O       5.72477086       3.46156014       8.86827724      -0.58324897       2.80605669      -0.67968107 
O      10.92687402       5.44228508       1.47240773       0.53961687       0.16007978       0.47487792 
O       1.67258240       6.69427837       6.32983905       0.10028714      -0.10885873      -0.60575696 
O      10.91552361       8.73104391       7.14536470       0.92418858       0.72123641      -0.70601870 
O       3.49326418       1.67809962       4.62524315       0.10949760      -0.27518723      -0.78602599 
O       4.90744658      10.72553331       3.39527632      -0.06332767       0.47805088       1.26055590 
O       5.40081169      10.77437801       1.08221289       0.22390324      -0.04406121      -1.58424452 
O       3.55891253       1.51223444       1.69931573      -3.09016908       0.20872596      -1.59741435 
O       4.27208667       1.62391804       9.73498992      -1.13720758       3.03632392      -0.41574248 
O       5.20052637      10.77524682       8.96146083       2.52853680       1.25385523       0.71644011 
O       0.11787363       8.91446630       9.74185190      -1.28613410       2.54570976       0.52675609 
O       3.29212911       5.37134093       4.50901599      -0.69320255      -0.64799788      -0.43978391 
O       5.23642579       3.93851415       3.59877543       0.16793618      -2.36634682       0.33897959 
O       5.18855355       3.93246042       0.64713742       1.22519744       0.02835942       1.84125143 
O       9.01913751       7.41859454       6.33033553      -0.80613125      -1.31299039      -4.62953942 
O       3.42788994       5.19683354       9.94050280       0.04813332       2.91007842      -1.27158904 
O       5.56480998       3.27742813       6.23222891      -0.06142595      -0.64147802      -0.82768561 
O       0.22506746       5.32764851       9.40295920      -1.56439139       0.07688447       2.50751296 
O       9.45130186      10.84873243       6.28474265      -1.72387518       0.90978205      -0.03237893 
O       1.72010548       3.65540027       6.29642435      -1.11319600       0.02397204      -0.20036302 
O       6.95480602       1.88436736       1.48840236      -0.04448917       0.71040831       0.14218988 
O       9.08793188       0.09895065       1.04150478      -1.16565354      -1.04780701      -0.69110073 
O       6.92655411       9.23999777       3.93753707       0.46930524      -0.21370846       1.02673458 
O       7.28286405       1.80409198       4.07965254      -1.19825660      -0.53079876       1.38341432 
O       3.14214870       8.52549017       6.96475769       2.18523471       1.56821030       0.31303992 
O       9.07820788       7.27836267       8.47043653      -0.80323186      -0.51534979       4.46016517 
O       6.97720677       1.60031969       9.44851169       1.12590199      -0.18212338       0.42226614 
O       7.16076064       9.09821628       9.09553036      -0.10147982      -0.42560428      -0.00278506 
O       5.43575432       7.11500093       8.98936706       0.73058900       0.01634063       1.53340338 
O       8.64502846       7.37704226       2.96961091       0.20224875      -0.78877863      -0.35261572 
O       5.48783706       7.40353584       6.62512883      -0.11490853      -0.90411924      -2.99467040 
O       7.36311281       9.14165978       1.05108959       0.12026353      -1.83630896       0.87118697 
O       8.96544391       6.61532987       0.38591975       0.13891224       1.49314050       1.02882246 
O       7.32202145       5.53372079       9.56599222      -0.68372435      -2.02449396      -0.52319160 
O       3.95124229       8.94710488       9.60767448      -1.75849938      -0.06239018       0.98206799 
O       9.24161892      10.84484240       8.97923518      -1.13660500      -0.90816780      -1.46052672 
O       7.21742803       5.07473758       6.78633430       0.64848453       1.46939254       2.59851743 
O       4.81952336      10.70757423       6.51378346      -0.13204050      -0.21147589      -1.44181839 
O      10.79329474       5.28338222       7.15082152       0.79163915      -1.72937243      -2.26579464 
O      10.22499366       9.14741705       4.36051239       0.79474453      -1.01712860      -1.05592261 
O       1.39113580       7.15863813       3.58824783      -0.17485567       2.98897707      -0.96387647 
O       3.44042678       8.49779757       4.20131250       0.38226350       2.72483965      -0.97779629 
O       3.22661321       5.74979689       1.90578672       4.15651831       1.08975638      -1.84245305 
O       5.47184766       7.29845225       1.08398103       1.91234930      -1.97477992      -0.72789525 
O       8.71437939       0.00603928       3.36067594       0.66423560      -0.84538204       1.74910622 
O       9.05856564       3.41339154       8.98532081      -0.52412804       1.49699774      -1.45418698 
O       7.07695392       4.80423328       1.66539817      -0.49339934       1.50235788       0.02684635 
O       9.08656457       3.48367099       0.74634308      -0.70185453       0.83377250       1.55947190 
O       8.83252232       3.58627832       3.64588486       1.75486888       1.94657347      -0.56259306 
O       7.65446429       5.64048033       4.52695179       0.01332504       0.21507403      -1.93405532 
O       3.86532928       8.90423603       1.66261273      -4.77062800       0.69559253      -0.99241457 
O       8.91057057       3.32110258       6.24373703       1.11673219      -0.60695720       0.48382914 
O       7.19319018       1.09031778       6.84071992       0.93624519       0.50340277       0.11831059 
O       1.92135558       3.46955999       9.08170809      -0.99147966      -1.96938018      -1.42441462 
O       7.31529008       9.15335640       6.40493666      -0.17781623       1.80989355       1.00595870 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0016657528111147931 0.0004951590166157043 -0.0052812883799134265 0.0004951590166157043 -0.004985268300826775 -0.0034887385556837108 -0.0052812883799134265 -0.0034887385556837108 -0.018076385570736198" pbc="T T T" energy=-1063.35386206 free_energy=-1063.35387526 config_type=crystal 
Hf       1.71029120       1.75432939       2.77893515       3.04938977      -0.70239178       0.25360920 
Hf       3.74434129       7.20409764      10.10047584      -3.65921184       1.18855070       1.67389859 
Hf       5.41931451       5.44121709       2.44498494      -1.85619250      -1.06242941       1.20696473 
Hf       9.20494098       5.20020624       7.95713629      -1.80584307       2.05663328      -0.78808835 
Hf      10.72925528       7.17352679       5.39928806      -1.24208856      -1.13883961      -2.37164999 
Hf       0.04415925       0.08475825      10.39074342       1.26278416      -0.66432262       1.53587629 
Hf       7.55247423       3.47742969       5.40178216      -5.15310147      -0.65212022       0.15321071 
Hf       7.09879799       7.29087891       5.17366681      -1.37398779      -3.52303125       2.98474144 
Hf       1.74932261       5.73155383       2.37926232      -1.70573184      -4.09375211      -1.13109329 
Hf      10.72922154       3.38221832       5.07936356       2.97984811       0.07365344       2.42959427 
Hf      10.77720783       3.89759130       0.07581262       0.30487640      -1.72960117      -0.91033416 
Hf       1.94974400       5.33478569       7.52811021      -2.95675628      -0.86858426       1.69118594 
Hf       8.94813672       9.16445647       8.07638708      -0.39610513      -1.58131134      -3.04056238 
Hf       1.39301815       1.73163688       7.73606691       0.34061508      -0.60360495       0.55835879 
Hf       7.37807498       7.17810694      10.26622181       0.17195868       0.93832615       3.79687676 
Hf       9.26707574       9.09192469       2.43218635      -1.17474784      -0.85999438      -2.42212684 
Hf       5.36076653       9.06733592       2.71843935      -0.43418790       0.33254426      -1.91882341 
Hf       5.32745700       9.29554414       7.98854095      -0.18658992      -1.76136130      -2.84053093 
Hf      10.77200724      10.61635688       5.24797808      -2.48590849       2.73365079       1.44106080 
Hf       3.64082320       3.48054678       5.07195313      -1.17209360      -0.07550521      -1.56473006 
Hf       0.03252091       7.41067455      10.47041479       0.90691395       0.20808592      -0.20183057 
Hf       1.69857628       8.86841429       7.58041839      -0.50362997       3.33494442       3.10158896 
Hf       7.39259420       3.51130586       0.13578048      -1.21730078       0.15317668       0.09164707 
Hf       9.00173303       5.23897054       2.82323895       0.02299684       2.09182730       0.15341157 
Hf       3.46167255       6.97151535       5.08943252       3.81477182       0.33092783      -0.40967883 
Hf       3.48636212       0.13091817      10.45058947       0.10880651      -1.53283590       0.22921145 
Hf       7.11647824      10.60155050       5.05733379       0.26664971       1.30000331       0.67203961 
Hf       5.29133912       1.73026180       2.48996229      -3.12428304      -0.33302893      -0.04457966 
Hf       5.20289473       1.79378556       7.75024674       2.59925144      -1.32823639      -1.57711318 
Hf       1.83154826       9.19023572       2.63226207       0.44634778      -1.83456968      -4.20686934 
Hf       3.46286248      10.75387747       5.38463684       0.30463435       1.82348818      -1.20815511 
Hf       3.49022016       3.59965866       0.01878835      -0.60385378      -1.29894650      -1.30761254 
Hf       7.20836336       0.00772387       0.00778479      -0.27346530      -2.52484790       2.51176642 
Hf       9.12713103       1.65977506       2.66225137      -0.05022408      -1.32480186      -0.09995176 
Hf       5.58021181       5.35597799       8.06682492      -1.12386510      -0.48288271      -2.90085535 
Hf       8.90467164       1.70698315       8.22423275       0.12628607       2.19749373      -2.55150866 
O       0.05313759       8.89607194       1.36890902       1.55517001       2.09763928       2.39761490 
O       5.35307684       7.02676240       3.63964160       0.14169621       0.22003696      -2.04229467 
O       0.11241393       5.16513718       4.28326273      -1.12553159       2.50695807      -1.39262306 
O       0.13716649       1.54762670       4.11502522      -3.01637965      -0.51546392       1.38987760 
O       1.99974007      10.76940946       3.66455193      -0.84108788      -0.12737489       1.67880326 
O       2.04717451      10.64399076       1.14050945      -2.85731900       1.11821075      -1.67811152 
O       1.56503842       3.67687611       0.76719197       2.01834175      -0.00458949      -0.70680935 
O      10.84016331       1.91974176       9.52078273       0.28636197      -1.34120874      -0.08447404 
O       1.66459657      10.75824782       8.87594149      -0.88518609       1.28606820       0.01076103 
O       1.52257219       0.09460144       6.22117081       1.14654761      -1.08890375       0.00746306 
O      10.33669172       1.16758048       6.92409039       1.96045468       0.65055659      -0.17844280 
O       2.00867961       3.33753822       3.89026927      -2.24483726       1.72470318      -4.46930730 
O       1.74395472       7.06337823       0.70146628       1.41809573      -0.55113967       0.43518262 
O       1.72295174       7.42850840       8.80773860      -0.69316447      -2.96898693       0.57180834 
O       0.18621420       1.87272420       1.62405104      -3.54046496      -0.86861328      -1.25669112 
O       3.54759706       5.28084492       6.46606042       0.73804929      -0.73897672      -0.96428492 
O       3.59822638       1.33494138       6.86900762      -3.79179476       0.93792847      -1.42907898 
O       4.95447116       3.40682419       8.65174027       1.60204459       3.38259345       0.52280621 
O      10.91868452       5.51572666       1.51690509      -2.89474370      -0.83387998       1.17233217 
O       1.63934179       7.15956139       6.34152266       0.73227174       0.12037720      -1.87748784 
O      10.67747832       9.18447331       6.96063895       1.98585424      -1.55503872      -0.88024639 
O       3.45655588       1.59457952       3.93560111       3.63899699      -0.31204652       2.83060127 
O       5.53996659       0.03357641       3.56352595       0.75533967      -0.77731456      -0.20797942 
O       5.28724651      10.86023481       0.90816610       0.54429798       0.87277084      -0.40575093 
O       3.36545082       1.75694305       1.44922918       1.65729088       1.48063987      -1.44912863 
O       3.33522519       1.79448357       9.34171320      -1.47779977       1.24326288       1.06611875 
O       5.13443879       0.04409439       8.88593520       1.32956470       0.89207348       0.84843112 
O      10.62290506       9.22002432       9.57204140      -0.60982042      -0.45382816      -1.46378415 
O       3.65616105       5.24975398       3.89115137      -0.27415379       0.60297712       0.86641279 
O       5.55617511       3.48122101       3.38511031      -0.70007834       1.26975860      -1.15251541 
O       5.40487878       3.35723536       0.61986532       0.30279408       0.94112966       0.85180911 
O       8.96364702       7.24149441       5.99047570       0.32123637      -0.37188296       0.29485624 
O       3.37001980       5.12282719       8.99978082       0.00888475       1.69255440       2.24523599 
O       5.41712704       3.03363193       5.77841344       0.94277899       0.30792474       2.21231268 
O      10.33212307       5.58684096       9.75895258       0.24902702      -0.45843955      -1.58966208 
O       8.80977296      10.09205914       5.84717106       2.82587490       1.79219265       1.20670838 
O       1.56190127       3.41927228       5.98040409       1.48241198      -0.69012883       3.62283300 
O       7.14247682       1.80599548       1.81083828       2.55330988      -0.21765080      -0.82384154 
O       9.24281269       0.27997214       0.81724999      -1.24694400      -0.31474934       1.06946168 
O       6.98591493       8.77666370       4.08131555      -0.45491912       3.28925723      -1.66193114 
O       7.82050641       1.65039661       4.85281450      -0.19479709      -1.86201275      -3.21663314 
O       3.47905819       9.07276374       6.84230927       0.38164766       0.83438254      -0.40068101 
O       8.70703208       7.17439176       8.83855845       0.41109942       0.77855766      -2.17832787 
O       7.34256088       1.80012218       9.78329139      -0.63595010       0.18139610       0.02694191 
O       6.90348461       9.02775068       9.55151606       0.63482475       1.39515280      -0.90966451 
O       5.13069601       7.28536487       8.47139484      -0.02549184      -1.14567979       2.46069010 
O       9.16027051       7.40267678       3.31353527      -0.37151208      -4.72030112       1.17929168 
O       5.21752833       7.13509292       6.15201864       0.19917270      -0.64023668      -1.59048578 
O       7.27126964       9.25968942       1.61566837      -0.04478516       0.21901160      -0.72778422 
O       9.25564797       7.60955926       0.66866284      -5.01180421      -0.69873676       0.38480762 
O       6.93516794       5.22472292       9.52624274       0.35964779       0.17184994       1.44291075 
O       3.47729449       9.07245927       9.52974117       1.67864039       0.74056762      -0.67011021 
O       8.89133643      10.90107308       9.03528221      -1.12734554      -1.66752228       0.28835111 
O       7.28565378       5.46334493       6.98209540      -0.30508240      -1.31513016       0.03316393 
O       5.36450723      10.76510561       6.20011487       1.29762457      -0.68701113       0.96715618 
O      10.63678960       5.51902518       6.73238819       2.69790904       0.80901384       0.26584523 
O      10.74461110       9.05523688       4.10252424       1.91466372      -1.08209753      -0.14740893 
O       1.94997671       7.22715345       3.41809051       0.28503249       3.75040349       3.68264904 
O       4.02780599       9.04807001       4.38363195      -1.42188726      -0.95492247      -0.90623847 
O       3.26596125       5.26995312       1.35480837       5.89139720      -0.97554801      -1.75741742 
O       5.32230450       7.13145476       0.55914386       2.26673532      -1.30800951       1.10169592 
O       8.70124852      10.76001085       3.43088325       1.19309352       1.00805254      -0.53474215 
O       8.95422508       3.56445824       8.95781338      -0.53158255      -0.02393218       3.17513459 
O       7.25373446       5.50153371       1.61919582       1.74699997      -0.72734336      -1.05270556 
O       9.12698224       3.39307736       1.29292028      -0.85982798       1.64645674      -0.23542722 
O       9.07988722       3.47360583       3.99829265      -0.14014698       0.45107356      -4.47173799 
O       7.35569516       5.23388169       4.21052816       0.91157453       1.38495814      -0.35138476 
O       3.50050401       8.76275813       1.48196342       1.75439113      -0.10512799       2.74277700 
O       9.12453708       3.48860415       6.44335752       3.07063586       1.08796022       1.82140270 
O       7.33351232       1.86891491       7.06382284      -1.79045680      -0.36368772       2.17990822 
O       1.00219407       3.71911609       8.29337833       0.68872902      -0.03277367       1.44452356 
O       7.25277964       8.77832956       6.64774521      -2.83766476       0.74238141       3.39574273 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.012597672490016653 -0.0043298986141341155 -0.0058159659484652996 -0.0043298986141341155 -0.005418593585309669 -0.0012142063020671437 -0.0058159659484652996 -0.0012142063020671437 -0.002184179768053697" pbc="T T T" energy=-1064.42067969 free_energy=-1064.42075815 config_type=crystal 
Hf       1.67686883       1.74464538       2.79562194       0.15682475      -4.82473016      -3.76529006 
Hf       3.69069798       7.15466822      10.10417516       0.24326563       0.45944054       3.22839681 
Hf       5.38822522       5.43089347       2.41312749       0.63458711       0.13010129      -0.32067489 
Hf       9.18872029       5.28256008       7.89833635       0.43984247      -0.27557406      -0.18663161 
Hf      10.80513150       7.16213090       5.36429198       2.54207942      -0.17284069      -2.46059242 
Hf       0.03317247       0.04681608      10.44642917       2.00561552      -0.08390859      -0.07148359 
Hf       7.55511977       3.52303842       5.35786823      -4.69646630      -1.88379687      -0.99803040 
Hf       7.10019313       7.24709950       5.19368951      -3.62353916      -2.13068705      -0.45071197 
Hf       1.76216633       5.72543140       2.34469203       0.87529614      -2.51765409       1.69712695 
Hf      10.78193732       3.42883808       5.05804870       1.14492531      -0.42061788       0.96810024 
Hf      10.82131351       3.94196245       0.09051444       0.19754263      -4.15263628       0.25713511 
Hf       1.96556589       5.22868220       7.53864461       2.04627460       2.68327689       0.35784949 
Hf       8.94606373       9.10332419       8.00491078      -2.31319179       1.49672138      -0.46741138 
Hf       1.35076886       1.76536877       7.78085507       1.66830836      -1.87621616       0.02383156 
Hf       7.34471308       7.15409227      10.29392524      -2.68303890       1.83831725       3.65588565 
Hf       9.26029836       9.04642288       2.39777177      -1.63063544      -0.79865784       0.08489860 
Hf       5.37176054       9.08111878       2.71897069      -0.59732915      -0.96984485      -2.27784968 
Hf       5.32516446       9.31816587       7.97459326      -0.23292566      -1.54717282      -2.33618116 
Hf      10.74408916      10.67366443       5.23900721       0.60729055       3.63570078       1.51646320 
Hf       3.57950159       3.46517069       5.01771664       1.71920947       0.04214910       0.65574450 
Hf       0.00558055       7.38753198      10.47805980      -0.47311158      -1.56116245       1.67321314 
Hf       1.62807420       8.86339940       7.61354420       4.29522943       0.84381509       4.40151342 
Hf       7.41750113       3.52142548       0.16960578      -1.09059925       0.53138242       0.50507573 
Hf       9.01762460       5.26129898       2.82787872      -1.64303199       3.46536284      -1.65790102 
Hf       3.50251334       6.96062892       5.03256078       2.51927072       0.99656114       0.08387896 
Hf       3.56318394       0.15554069      10.46147729      -0.33856022      -3.32158157       1.28858559 
Hf       7.10128610      10.56902838       5.07336455       0.91504398       2.67738550       1.62962344 
Hf       5.23820285       1.76637727       2.54942039       1.34998809       0.54770411      -1.47889095 
Hf       5.21162370       1.80359140       7.81019133       1.04179357      -1.48460787      -2.27841379 
Hf       1.85904739       9.21508985       2.70244228       2.85245822       0.20616641      -0.57297604 
Hf       3.50834336      10.79843979       5.36186357       0.86583008       0.57845101       0.40312486 
Hf       3.49665111       3.59775188      10.62622456       3.57617631      -0.13691873      -1.69863478 
Hf       7.21692602       0.01850501       0.04334198       0.49585083      -0.85728005       1.08577108 
Hf       9.17042859       1.64288638       2.62773794      -2.62736936       0.11113418      -0.45791044 
Hf       5.57228109       5.31626610       8.05962738      -1.05731439       1.14434040      -1.79434900 
Hf       8.87242035       1.75736124       8.27399199      -1.64986344      -0.26084015      -3.13843223 
O       0.36022583       8.75885286       1.58793008      -4.49315459      -0.32589221      -2.59780809 
O       5.48046379       7.07774637       3.56750289      -1.31287040      -0.22574291      -0.39749396 
O       0.16667790       5.10710872       4.10836764      -1.00146886       2.54973462       0.52466038 
O      10.84123875       1.59732903       4.00807154      -0.24385640       0.13792568       2.06757566 
O       1.85389544      10.85853597       3.81334720      -0.63433286       0.28714881      -0.21044226 
O       1.83884923      10.78940438       0.95776367      -1.02367585       0.82722873       0.53162073 
O       1.71416327       3.67583770       0.65555091      -1.52967799       0.43584367       1.02414421 
O      10.73383905       1.71671273       9.32278380       1.30546988       0.54838781       0.55294003 
O       1.57675640      10.70013533       8.97244601      -0.64697375       0.10741128      -1.48973788 
O       1.76308082       0.32132403       6.25396383      -4.51053863      -1.93958798      -0.62484636 
O      10.17997315       1.13119506       6.70178751       2.14645538       2.49746814       1.72455936 
O       1.79321706       3.34423321       3.60860290       0.78299321       3.85566534       1.97683444 
O       1.68654495       6.83542342       0.86126224       0.61502661       1.79367911      -3.10412205 
O       1.72003065       7.17370920       8.84244739      -0.84109546       0.90907641       0.16764954 
O      10.90831072       1.95839880       1.64640011       2.45349932      -1.13631908      -0.82080139 
O       3.68872097       5.31794270       6.39550895      -1.39266704      -3.44791630      -0.00248491 
O       3.50086129       1.34413686       6.88086459       0.60039137       2.52233635      -0.10101052 
O       4.95164878       3.52141562       8.69885544       0.44836557       1.07445766       0.00721107 
O      10.73900218       5.41829769       1.50300746       0.21940841       0.40465850       1.62503595 
O       1.73164587       7.03420514       6.27399280       1.37822729       1.73260375      -0.95409799 
O       0.00144499       9.03154310       6.71693798      -3.08332252      -1.00994599      -1.40500674 
O       3.58661039       1.44625796       3.97726434       1.00490739       3.04296349       0.15905093 
O       5.67328829       0.03791751       3.60773940      -0.71961040      -0.20995759      -0.87957182 
O       5.34923764       0.00780308       0.88705159      -0.00465329       0.23913078       0.96636183 
O       3.55290776       1.95207785       1.25151968      -0.57514136      -1.30377930       2.39987564 
O       3.30413053       1.59408452       9.33057103      -1.31531703       4.32056995      -1.15994305 
O       5.20980435       0.01187871       8.93049452       1.04669008       1.60852918       1.33386110 
O      10.61678055       9.10567425       9.47020304      -0.79116770      -0.78248956      -0.69371665 
O       3.57171286       5.32467757       3.70188332      -0.77049951      -0.78959717       1.86726027 
O       5.69207432       3.55335072       3.37966242      -2.11861402      -0.72724012      -0.07148451 
O       5.48578435       3.41358809       0.67165639      -1.02674566       0.81190082       0.67210353 
O       8.99435658       7.02383616       5.68097166       0.18147149      -1.00553816       5.21094320 
O       3.30940825       5.24224956       9.30489349       0.44185182       1.19074868      -1.27734007 
O       5.47746929       2.94494957       5.88873226      -2.31375365       1.58056838      -0.25589463 
O      10.28218190       5.41872234       9.73403033       0.33880887       4.40523051      -2.35782505 
O       8.93797097      10.23656593       5.99165701      -0.62929829      -1.76018783       1.48240839 
O       1.67856153       3.39664924       6.23577134       0.42192308      -0.76706092      -2.55503407 
O       7.26308025       1.95994820       1.69177754      -0.06094221      -1.71548030       0.44520855 
O       9.28712763       0.16061167       0.82026693      -1.33124562      -0.76517720       2.84503431 
O       6.81115292       8.83265281       4.09389710       1.20346938       1.60760327       1.03122730 
O       7.74945358       1.58720186       4.63531551      -0.00314016       2.37505937      -0.29780900 
O       3.40831245       9.23367955       6.81139004       0.02153301      -0.27331669       0.71973122 
O       8.62734383       6.99799753       8.80701285       1.25704012       3.04820195      -2.84528657 
O       7.29724566       1.89080971       9.66455005      -0.97303571      -1.44169327       0.48913300 
O       7.16511236       9.13070728       9.46246884       0.04498822      -0.36887170      -0.83242134 
O       5.25181426       7.34995662       8.61459043      -0.12102513      -2.25879002       2.41644231 
O       8.88981859       7.44489956       3.58892787       1.46537304      -0.82149910      -2.98616358 
O       5.09156161       7.02119325       6.25736224       1.73976121       1.23798068      -1.81156968 
O       7.35322195       9.09781419       1.52996175      -1.01477889       1.63519356      -0.00592920 
O       8.95083244       7.49397204       0.76268730       2.84903992      -0.14868086      -0.40633818 
O       6.99722459       5.25631465       9.64185543      -1.05003948       0.20521249      -1.23180527 
O       3.67062725       9.09459729       9.70851234       0.04418271      -0.04817885      -1.17446833 
O       8.78298006      10.95212015       9.26312461       0.87807116      -2.15499322      -3.77094486 
O       7.01261963       5.24478335       6.70967540       1.30835767      -0.24379406       1.34229273 
O       5.49220161      10.84470808       6.38595188      -1.13407385      -1.28775628      -0.87088176 
O       0.09188063       5.57936984       6.91561578      -3.81113240       0.81255566      -0.55784287 
O      10.89482947       9.22498410       4.01796788      -0.69830966      -2.76626772      -0.68951026 
O       1.86809310       7.40959046       3.60828849      -1.19041436      -2.41730821       0.19067164 
O       3.77442143       9.02315497       4.18539547       0.04867723       0.45845681       1.15652576 
O       3.57594571       5.27883131       1.26005286       0.29917251      -0.32995696       0.53640993 
O       5.36337866       7.04344225       0.86152839       1.01883686      -0.30293009      -1.70254873 
O       8.55377889      10.85553951       3.44133454       2.61357394      -3.11871536      -1.71696816 
O       8.87634446       3.62988878       8.92980034       0.01790487       0.14127908       1.58761530 
O       7.36946575       5.26200881       1.68505108       0.36386000      -0.12906149      -1.68107968 
O       9.19480733       3.36629104       1.09377310      -0.82629403       1.12216529       0.49251275 
O       9.01096971       3.60670468       3.78272813       1.36272265      -2.30196232       1.02238846 
O       7.26200788       5.37977541       4.08800364       1.30376639      -0.25396433       1.92557820 
O       3.54058303       8.70000589       1.72429218       0.33808184       0.71434279      -0.05076987 
O       9.15367325       3.75692075       6.53304512       1.87492625      -0.92013579      -2.32835039 
O       7.12437707       1.64495992       7.00335042       2.41359804       0.74977174       2.36908586 
O       1.10920111       3.80581059       8.33498088      -1.47825811      -3.87545787       4.25327428 
O       7.00946244       8.77567284       6.71750196       1.43580838       0.24489033       1.63081112 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.007681632443153923 -0.0015964480300073546 -0.006571375454687948 -0.0015964480300073546 -0.021463879701870133 -0.02229279159757416 -0.006571375454687948 -0.02229279159757416 -0.00671158293686169" pbc="T T T" energy=-1062.46922014 free_energy=-1062.46923019 config_type=crystal 
Hf       1.61794286       1.66610313       2.74465864       1.50798137       3.69639180      -3.49026180 
Hf       3.60411972       7.09428061      10.20262107      -0.32424880       0.78247966       1.68653469 
Hf       5.36842083       5.40570355       2.35564575       1.33936622      -0.96185565      -0.71758675 
Hf       9.16889223       5.42917481       7.79324540       1.07438372      -0.50590136       1.52019413 
Hf       0.02482728       7.12534668       5.23804199      -0.47408852      -0.93743498       0.09895922 
Hf       0.01283967      10.93264225      10.51862687      -0.55562764      -0.52518263      -1.38700088 
Hf       7.45330534       3.56303330       5.24754517      -0.40637205      -0.57984019      -0.97512898 
Hf       7.04321623       7.11872904       5.22414872       2.64023869      -0.00557504       0.82094201 
Hf       1.78739142       5.65090091       2.32988934      -1.30151912      -2.09307974      -0.03641637 
Hf      10.90030539       3.51000264       5.03619430       1.81981944      -0.20036970      -1.84063898 
Hf      10.88646402       3.95109756       0.09317700       0.67972409       0.64613369      -2.52859148 
Hf       2.01134028       5.08434117       7.57981221      -2.13871895       1.46794848       1.03236095 
Hf       8.89034908       9.03193533       7.87604361       0.45254401       3.29679390       2.46414118 
Hf       1.31609454       1.77490103       7.85712176       0.30076723      -1.39465900      -0.73235087 
Hf       7.22847288       7.16111276      10.41246272       1.95450098       1.89617186      -1.77607852 
Hf       9.21611281       8.94213721       2.33476412       0.90873661      -1.99023948      -0.46686657 
Hf       5.39933526       9.08439791       2.66050736       2.30313225       0.46579313      -1.33335830 
Hf       5.31641664       9.32412286       7.92005065       0.19187528      -0.47760115       2.03629155 
Hf      10.70222299      10.84065403       5.25666974      -2.40458828      -1.80709521      -0.48001984 
Hf       3.51590530       3.44764416       4.94930733       0.82360755       1.63841161       1.58788860 
Hf      10.89759608       7.31293476      10.51708481       1.12723370       0.41425331      -1.00967492 
Hf       1.56726413       8.87589253       7.75767503      -1.37266671      -1.03149966      -0.54113392 
Hf       7.42534924       3.54640724       0.22248166      -0.87769296      -1.37831773      -2.98491717 
Hf       9.00770843       5.38327870       2.81066473       1.30122488       0.38318068      -0.10670288 
Hf       3.62731730       6.96080520       4.92981098      -0.13044090       0.42643214      -0.24760081 
Hf       3.69351586       0.14571272      10.48767799      -0.44883039       0.85859751       0.02649577 
Hf       7.11234015      10.60574084       5.14652173       2.06644659       2.53784095       0.53992105 
Hf       5.19685118       1.84045944       2.61081838       2.77787460      -0.79877828      -2.20024430 
Hf       5.25007631       1.80071304       7.86011563      -0.24231535       1.65382726      -1.59981806 
Hf       1.93247636       9.24413223       2.81460384      -3.66927092      -1.16588377       0.74149920 
Hf       3.59117915      10.89754711       5.34752388      -1.86224508       1.45407129       2.52565850 
Hf       3.59241258       3.59244830      10.54270570      -0.51824880      -0.31172713       0.34183642 
Hf       7.25525394       0.01065153       0.12047132       0.11458330      -1.03740688      -1.10234337 
Hf       9.16981220       1.60822653       2.55654193      -0.87101042      -0.05232055       0.88251288 
Hf       5.54350746       5.29644363       7.99907344      -0.91801128       0.39370393       0.50394375 
Hf       8.78552601       1.83354741       8.29675059       3.04783034      -1.05508617       0.53741042 
O       0.06581839       8.59549529       1.39690750       1.87830481       3.18645039       1.31929502 
O       5.37838849       7.19720752       3.48127662      -0.69856458      -1.15147067       0.35357619 
O      10.91443809       5.55123681       4.07439161      -0.97516798      -3.07974203      -0.10682415 
O      10.54463770       1.66570674       4.26328127       1.33927308      -1.08756071      -1.86391676 
O       1.60227501       0.14224931       3.84454852       1.50458849      -2.94949823      -0.31834575 
O       1.70435579       0.21798452       1.02593308       1.89803430      -2.96768610      -0.16509012 
O       1.71632839       3.83508174       0.84771749       1.83537013       0.82048103       0.72279050 
O      10.77065395       1.47418206       9.27586984      -0.26822653       0.66642019       1.82739062 
O       1.36920342      10.56832862       8.78886554       0.83799576       1.13219533       1.29821229 
O       1.32741592       0.17380127       6.16697726       4.00376490      -0.14603641       2.03736149 
O      10.44149024       1.70200101       6.72841964       0.01118356       0.06706114       1.38134606 
O       1.58748759       3.67582850       3.40475951       0.33445525      -2.25155686       1.08796702 
O       1.84336705       6.79549505       0.57893495       0.05404723       0.06529196       2.27763922 
O       1.60649471       7.12856040       8.83239299       2.27792844       1.72616802      -0.83307033 
O       0.16599348       1.82695157       1.50273142      -3.34204967      -0.12076643      -0.01921328 
O       3.61902635       4.80929320       6.35817830       0.32683951       3.88505532       2.58183769 
O       3.46340196       1.74810978       6.78705356      -0.38153546      -2.66237546       0.33062691 
O       4.95907377       3.60776961       8.87181914       0.83024486      -1.04016525      -0.87113365 
O      10.73121060       5.37285461       1.61707980       1.13248659       0.80964580      -0.53390318 
O       2.17105433       7.12021357       6.14454508      -1.21564455      -0.56699553       1.71188448 
O       0.07806029       8.69320824       6.30864057       0.34321037       3.10672913       3.79313262 
O       3.86236513       1.74095617       4.11884549      -1.93667107      -3.46696712      -0.47384144 
O       5.64451181       0.02246626       3.53175671      -0.45515544      -1.07147095       1.66995009 
O       5.30674260       0.20401924       1.08867299      -0.06699272      -1.04257471      -0.72758060 
O       3.55948060       1.88101230       1.46785204      -1.55197105       0.38113795       0.02895840 
O       3.05438698       1.96291344       9.34152772       1.44268670      -2.72621604       1.29501323 
O       5.45215063       0.19771209       9.21147117      -1.79524527      -1.42040857      -1.99069984 
O      10.55587165       8.77219519       9.17266927       0.80014031       1.12523669       0.72523893 
O       3.35076047       5.32364234       3.77180535       1.54610344       0.28150735      -0.22119733 
O       5.42291422       3.58512848       3.44875953      -0.00069317       2.05689006       0.82507643 
O       5.42625876       3.61437958       0.89623420       0.49940161      -1.21692822      -0.13929007 
O       9.00571280       6.48597260       6.21974174      -1.35978156       3.10679575      -5.97159052 
O       3.26306153       5.35994198       9.30597531       0.42746093      -1.00753153      -1.85866134 
O       5.22445208       3.08599273       6.03691083       3.15831750      -0.78275196      -0.03065452 
O      10.41802797       5.82253180       9.45602682      -0.89172620      -4.13924199       0.19186972 
O       8.97469045      10.20718534       6.36931409      -0.54606227       2.76644194      -4.98070863 
O       1.77394216       3.29009206       6.18354936      -2.54859780       0.87327449       0.42563729 
O       7.39671234       1.76608178       1.58706340      -0.74947148      -0.29838385       0.01224032 
O       9.20701615      10.75886420       1.18882878       1.05274193       1.45607815      -3.58858575 
O       6.78603279       8.91125510       4.32931128      -0.06045709      -0.04588338      -0.35791393 
O       7.56350385       1.81410401       4.26198198      -0.58346796      -2.29946915       1.05560685 
O       3.35598539       9.44944592       6.97299389       1.11391917      -0.03453902       0.45678353 
O       8.59925265       7.28945485       8.24594132      -1.60353411      -5.83809718       3.72917124 
O       7.05179193       1.76379099       9.66515420       1.42151031       1.31313986       1.19081541 
O       7.33470412       9.07729613       9.33904766      -2.13856496       0.11569596       2.59240337 
O       5.39411791       7.05360602       9.20933315      -1.33418752       1.10300671      -3.63823997 
O       8.76982376       7.31985096       3.46138115      -0.13215422      -0.49244359       0.91217417 
O       5.28002661       7.08822162       6.08326230      -1.28977384      -0.74550456       1.36022059 
O       7.12464889       9.21165646       1.40256543      -0.73512003      -0.17902559       1.09804220 
O       9.07324766       7.26299622       0.81643252      -2.25224882       0.08266117      -0.55151900 
O       6.91298259       5.33556652       9.52322846       1.10274071      -1.14615427       0.07870917 
O       3.94995298       9.21150866       9.73557292      -1.00497930      -0.95243769      -0.15473541 
O       8.88591814      10.84024756       8.91322962      -0.16547842       1.45674520       1.95343336 
O       6.89773436       4.87242080       6.67387172       1.10328392       1.11088163       2.03172272 
O       5.35853041      10.74916924       6.41423958       0.69442062       0.81531241      -1.12324854 
O       0.11962309       5.82649809       7.04578925       2.38863171      -1.40007322      -0.87496166 
O      10.91229005       9.06640542       3.86015094      -0.04111059       0.86368221       0.35422707 
O       1.57860600       7.26011315       3.74197091       2.63095513       0.86364367      -2.71336498 
O       3.42357832       9.17692637       4.31031970       0.63674848      -0.53828079      -0.05274504 
O       3.83324781       5.27325033       1.14062222      -2.03376681       2.26884601       1.05551121 
O       5.74311384       6.94345572       0.93289192      -1.92157004       0.07672152       2.07113306 
O       8.85082509      10.48634915       3.39596210      -1.32664146       3.56750620       3.91490016 
O       8.79599688       3.70121048       9.14515961       0.56024992      -0.57730029      -1.02158335 
O       7.50613999       4.97237490       1.54077261      -1.62549872       2.57948614       2.24215190 
O       9.26807602       3.44695021       0.94237362      -1.22567117      -2.16372425       1.99870456 
O       9.20456705       3.45362986       3.65026475      -0.61309079       2.40275625      -0.80627257 
O       7.35315468       5.39471698       4.28466873      -0.26465486      -1.66449677      -1.39567402 
O       3.59634294       8.73801357       1.86364996      -0.25702976       0.16147085      -1.34626518 
O       9.51179651       3.92638027       6.14317946      -5.19329139       0.72806141       2.66803683 
O       7.26994572       1.50400703       7.26919553      -2.64077287       0.51455686      -3.61190896 
O       1.15098105       3.48698705       9.08005369       0.65829939       1.86558048      -3.71742656 
O       6.97697111       8.75976999       7.00432191      -0.60192292       0.21637531      -2.46783049 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013642390000102542 0.0028128187750921904 -0.005437328604664159 0.0028128187750921904 -0.014564377483144462 0.002362018900332215 -0.005437328604664159 0.002362018900332215 -0.024444293301723857" pbc="T T T" energy=-1062.35746539 free_energy=-1062.35748095 config_type=crystal 
Hf       1.80253053       1.53434693       2.36990019       0.85795387       3.13493715      -0.66397233 
Hf       3.46506990       7.36020519       0.15114906      -0.33220598      -2.69744967      -2.33096620 
Hf       5.56424925       5.25437971       2.35903172      -1.41562101       0.20618492       0.94349849 
Hf       9.21067348       5.57616017       7.42749333      -3.28602223      -0.22568334       2.83960472 
Hf       0.52448782       7.29333810       5.08036981      -5.68210693      -3.02061071      -0.52501147 
Hf      10.92696726      10.61050878       0.05172103      -0.72630063       2.94293169       0.04685043 
Hf       7.04551217       3.36983169       5.03797424       0.73698530       3.71965638       0.79250888 
Hf       7.17691120       7.04777513       5.24480118      -0.70153676       2.54804335       1.89267222 
Hf       1.85210797       5.08361358       2.36550478      -2.07009357       0.11288662      -1.88780489 
Hf      10.79590129       3.73108300       5.04849663      -0.27655876      -0.51241340      -0.49663187 
Hf      10.90841272       3.69206682      10.25604625       0.76740676      -4.12306712       4.53435272 
Hf       1.77237896       5.28416995       7.73445779       0.97926579      -0.55198801       2.36422285 
Hf       8.88693595       9.04947786       7.68488243       2.46903851      -1.26053215       4.37382937 
Hf       1.45925429       1.50760257       8.17673600       1.17156082       2.68757779      -0.72260411 
Hf       6.90779054       7.37410748      10.34039119       5.38555993      -2.68404281       0.64339923 
Hf       9.22947803       8.97529620       2.39004725      -1.94436998      -0.96848011       0.22075298 
Hf       5.45736459       9.11576965       2.68091377       1.46369082      -1.03295517      -2.47260576 
Hf       5.18816472       9.18374024       8.14260288       3.72730244      -1.51928985      -0.42665306 
Hf      10.66592434      10.93768157       5.12925014      -0.62320283      -1.74342982       0.94517676 
Hf       3.55555758       3.67473739       5.27179852       0.66616284      -0.11904440      -2.18479443 
Hf      10.83456885       7.08617558      10.55345024      -5.80220785      -1.57742326      -1.77412575 
Hf       1.50919492       9.02187126       8.02219598       0.80347641       0.69525590       0.37455965 
Hf       7.35047254       3.62084044      10.56103871       0.53871945      -0.01793580      -0.36152115 
Hf       9.01681199       5.46084301       2.60285822       1.66417328       2.63071320      -0.83176304 
Hf       3.70029040       7.21072525       4.93535241       2.76841141      -1.32358067      -0.04140689 
Hf       3.74281896      10.74870875       0.00910767      -1.13066589       2.18255489      -2.31818919 
Hf       7.24115302       0.00434142       5.33584293      -1.10196750      -2.35305643      -1.74262762 
Hf       5.31837897       1.67594622       2.68235655      -0.39425349      -0.03644208      -0.90046949 
Hf       5.43199795       1.82868513       7.54243672      -0.82853836      -0.24145181       2.56521183 
Hf       1.88383983       9.16380700       2.87770024       0.52740356       1.46257265      -0.66131682 
Hf       3.41930723       0.12200098       5.64249489       0.22233225       0.32059696      -2.75041688 
Hf       3.83766253       3.41388193      10.46219655      -3.47748523       1.54012996      -1.06131655 
Hf       7.23075808      10.77346417       0.03263677       0.88622007       1.15981795      -0.31299991 
Hf       9.02508706       1.66531222       2.50862129      -0.89869554       0.49952300      -1.43645737 
Hf       5.26373625       5.42901408       7.95109668       1.90644693      -0.20492451       0.58266449 
Hf       8.95130684       1.92427766       8.11432517      -5.40868751      -2.44398839       3.05151577 
O       0.20423310       8.75900921       1.71824045      -0.37196092       1.41842887      -0.37646237 
O       5.44237076       7.19917270       3.23685288      -1.00606121      -1.56465589       3.00028061 
O      10.87055361       5.43859850       3.82039327       0.40017992       0.47327609       1.03490295 
O      10.36717624       1.77424477       4.37734755      -0.35489245       0.33029750       0.43692354 
O       1.88069732       0.16966955       3.67168952      -1.25873212      -2.88599013       2.64606815 
O       2.05069083      10.94466306       1.02664608      -2.00482906      -2.21547429       0.30573915 
O       1.61243812       3.73534510       0.69396900       1.34348115      -0.87025259       1.27269955 
O      10.89479672       1.49022975       9.70754616       0.39749067       1.24927138      -0.13797699 
O       1.63998896      10.75720119       9.09585476      -0.63127066      -1.49495313       0.13645902 
O       1.53646900       0.11103468       6.50354890      -2.81712165      -0.77319330      -0.93732069 
O      10.51454463       2.33288858       7.34446936       6.23014769       0.70495252      -2.94145918 
O       1.36259126       3.35462553       3.22072645      -0.11977136       0.44287103       0.49441056 
O       1.55585236       6.75992047       0.67654010       6.74293214       0.37298303       2.26161770 
O       1.81705282       7.23110714       8.84152968      -0.64313084      -1.68606977      -1.93790159 
O      10.83382647       1.10451939       1.87482518       1.64020711      -0.86318602      -0.47243063 
O       3.54399670       5.18215141       6.82191275      -1.50753990      -0.18985878      -0.10645025 
O       3.24801379       1.66648440       6.98344857       2.16638557       0.85204381       0.77221667 
O       5.44033119       3.42232627       8.58340165      -1.25112965       1.25599191       2.95370432 
O      10.77566720       5.45739735       1.04006646      -2.11519664      -3.83171364       3.64915091 
O       2.06777704       7.10453192       6.11195135       0.45292483       0.56125754       2.55052751 
O      10.59571545       9.03445258       6.70316801       4.83445480       0.28924882       1.03893631 
O       3.65422863       1.94950648       4.28089565      -0.16107174      -1.14583733       0.47567329 
O       4.70521186      10.76710322       3.27360190      -0.47105700       2.19310395       1.95916686 
O       5.31879442      10.57790417       1.07478195       2.76647418       0.02110810      -1.07982782 
O       3.72165996       1.82084173       1.54053527      -1.54223112       0.62131987      -0.23468075 
O       3.41471360       1.57498055       9.79346483      -0.35697769      -0.27272998      -1.52933227 
O       5.36757689       0.01889844       8.93981509      -0.15249391       1.79498252       0.56627780 
O       0.22814588       8.85167056       9.85058168       0.76357237       2.91411353      -2.32547519 
O       3.79327035       5.30439188       3.95692107      -2.19959687       0.78640232       1.30937187 
O       5.39262964       3.55254578       3.50773220       1.47353892       1.12029351      -0.08155446 
O       5.47362417       3.56901111       0.77642252       2.10115657       0.48404711       0.94554356 
O       8.96427414       7.35890493       6.31716333      -0.33040422      -1.40246743      -1.05726745 
O       3.60953779       5.27737482       9.45113684       0.79223046       1.51515574       0.27286104 
O       5.29860240       3.58503371       6.21256972       1.63316466      -1.03079004      -0.88864734 
O      10.72891039       5.11289875       9.16735636      -0.25404380       5.45966656      -4.38161519 
O       8.94531642      10.95004892       6.24459033       2.34306382       0.79634363       1.88184689 
O       1.67925220       3.44353182       5.75210124      -1.27800555       0.79703425       1.41457994 
O       7.14959527       1.88095676       1.57248838      -0.72955212      -1.50100212       0.53610401 
O       8.84103481      10.78210111       1.28256784       2.62103239       1.57638043      -1.22466654 
O       6.53413539       9.24702319       4.31435755       1.70015825      -0.09306923       2.22012400 
O       6.73926042       1.66112155       4.14946296       2.57920326      -2.36133302       1.64730160 
O       3.64216257       9.56245213       7.16720761      -3.74961952       0.61804643      -2.42597198 
O       9.08285410       7.39234758       9.06503087       0.08459722      -0.11280929      -2.52824943 
O       7.45660079       1.86710772       9.61020748      -1.11467357      -3.27560274       0.68119155 
O       6.92567051       9.13637712       9.64301325      -0.92164944       2.13180174      -2.17640372 
O       5.57802379       7.28817508       8.66418365      -1.32531761       1.09918657       1.73733098 
O       8.79064093       7.39699325       3.54185214      -0.41190333      -1.11381921       0.84743340 
O       5.15986000       7.12519921       6.32787396       0.22789878       0.54043247      -2.46864731 
O       7.58862015       8.96498135       1.26016616      -3.65172883       0.47068132       1.83847999 
O       8.89348359       7.16396001       0.88271996       2.65351826      -0.18792230       0.87302153 
O       6.62748511       5.47559691       9.80555553       0.14200458      -1.95416557      -0.62675247 
O       3.41275412       9.01842822       9.48359079       1.22061482      -0.64960590       2.40936895 
O       9.07901742      10.64909286       9.10523836       0.36893494       0.13509962       0.18359070 
O       7.14407684       5.64972741       7.05506784      -0.06726156       0.82173729      -0.79796649 
O       5.41741211       0.41934276       6.10338534      -0.63240189      -1.18070127      -0.45477632 
O      10.95136386       5.21189793       6.46867494       2.39158018       2.48024309       0.95391263 
O       0.03995412       8.95673882       4.31860894       0.69644100       3.64004236      -1.82020538 
O       1.83659668       7.29793359       3.58416576       0.63761095      -1.67721676      -0.64253019 
O       3.40390474       9.13927849       4.55920464      -0.93596223      -0.53882340      -0.58765323 
O       3.61840470       4.95122763       1.52339792       1.12920981       1.36390319      -0.46644727 
O       5.50605404       7.37167087       0.94946476      -3.84293589      -0.69208476       0.06986310 
O       8.75691803      10.57000336       3.84087067       1.53412157       0.57489783      -0.66935964 
O       8.41916263       3.76921350       8.71307609       2.39347999       1.62385808       0.29430824 
O       7.42210133       5.30197181       1.55681347      -1.88418355      -1.32327821      -0.56841326 
O       9.34284787       2.88296337       0.81689456      -0.29169809       1.94333865      -0.64476560 
O       8.53585302       3.60935812       3.24504018       1.09143142      -1.17004328       1.73201575 
O       7.14781492       5.46452039       4.29955061      -0.49051231      -2.67042862      -1.62652626 
O       3.53475510       8.55331765       1.73858107      -1.87859440       1.30613224       0.48627603 
O       8.83139079       4.19036488       6.02318985       0.93038301      -1.71228073      -2.30515570 
O       7.35990215       2.17044605       6.86735810      -0.53016408      -1.49336959      -1.99765621 
O       1.91420833       3.57215833       8.92600780      -1.71416160      -0.96838542      -2.43520961 
O       7.16721449       9.33030303       7.16819441      -4.90952988       0.97723633      -3.14655626 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.007145804433398458 0.0034315827784671665 0.005365769970920799 0.0034315827784671665 0.0025962720439167207 -0.0024205186180182715 0.005365769970920799 -0.0024205186180182715 0.007028880389215076" pbc="T T T" energy=-1061.4073879 free_energy=-1061.40784692 config_type=crystal 
Hf       1.95891483       1.56685010       2.38829984      -2.04206618       0.98400750       2.38554868 
Hf       3.45012624       7.34061115       0.21497737       0.43950716      -1.70909798      -2.52743967 
Hf       5.63019856       5.23193503       2.46667171      -2.30482336       0.27114573      -0.36971943 
Hf       9.15855141       5.56243811       7.40063119      -0.46161695       0.29276811      -0.07661156 
Hf       0.43212984       7.34005755       5.10735333      -1.17105548      -0.43574033      -0.18325124 
Hf      10.91557455      10.64714773       0.12006954       2.07101851       0.23175108      -2.59186921 
Hf       7.05295458       3.40513302       5.05512338       3.39033005       0.33278194      -1.52262271 
Hf       7.21320295       7.22750996       5.24031851      -0.46958756      -1.62759158      -1.21102198 
Hf       1.77309779       4.96043494       2.35596727       0.70453252       1.61723435      -0.49720340 
Hf      10.68909552       3.72867224       5.09666481       3.62551522      -2.73080361      -0.59224613 
Hf      10.89464103       3.54738561      10.16409700       0.81288854       1.51637849       0.87269148 
Hf       1.64629589       5.47448992       7.84013577       1.18159225      -4.88712117      -3.47169900 
Hf       8.98219476       9.05145739       7.75152913       0.12210552       1.94456243      -0.36404860 
Hf       1.60285206       1.49988900       8.20027765      -0.27637794       1.32585213      -2.01606236 
Hf       6.97237375       7.38872552      10.26997172       2.08934764      -1.87572078       2.98071308 
Hf       9.16128909       9.08965175       2.51250056       0.63143726      -2.70485276      -0.08092255 
Hf       5.45826616       9.09683473       2.76151847       0.55757603      -1.63699772      -0.52265697 
Hf       5.19252082       9.16374006       8.17611548       0.79748947       1.09739763      -3.61416940 
Hf      10.72055874      10.87956415       5.08887588      -0.28077029       3.20390244       2.13609182 
Hf       3.55606517       3.72373919       5.37690690      -1.19251569       0.17501249      -1.60285509 
Hf      10.76572583       7.01896184      10.51275594       2.03465613       0.53356468      -1.91848784 
Hf       1.59521464       9.03159131       8.03151463       1.76236979      -0.23712752       0.69049301 
Hf       7.32772021       3.65919674      10.41836543       1.52193028      -0.65451690       2.02429859 
Hf       9.07514776       5.41303103       2.54875097      -0.92605599       1.76009755       1.35767368 
Hf       3.66885281       7.31163166       4.97194019      -0.01870565      -4.65630777       1.48233946 
Hf       3.63146568      10.75844667      10.62094673      -2.15870187       0.44369114      -0.51479315 
Hf       7.24769584      10.87644684       5.37866951       2.03169045      -0.62877896       0.21032270 
Hf       5.29871656       1.58305096       2.65090948       0.54409848       1.69580057       1.67763188 
Hf       5.43168252       1.80765038       7.55929506       0.35307550       0.53623595       0.22381102 
Hf       1.86709555       9.17850064       2.83029650      -2.43891108       0.39748789      -0.32492854 
Hf       3.31392015       0.06488045       5.59779920      -0.46203642       0.92755556      -2.56693325 
Hf       3.77925336       3.39030769      10.48475033      -2.07599484       2.33990482       1.42733647 
Hf       7.23315361      10.76984244      10.56755981       3.25638565       1.46680208      -0.24452077 
Hf       9.03255138       1.71859914       2.48550534       0.24364994      -1.29051093       0.35156676 
Hf       5.27377052       5.50599335       8.04416346      -1.83141290      -1.73808911      -1.55427657 
Hf       8.97862420       1.84081584       8.05722491       1.77511766      -1.96735264      -1.11598846 
O       0.09867390       8.90893505       1.71560425      -0.80039331      -0.18827941      -1.09310982 
O       5.24394982       7.16203471       3.64400204       1.33712454       1.43796370      -1.95684702 
O      10.81040637       5.62464803       4.15876398      -0.54280175      -1.14435576      -1.74149839 
O       9.93068734       1.80292210       4.48704766       2.21957531      -0.97372344       0.00404531 
O       1.68922216       0.07310555       4.00932077       1.06885548       1.77189470      -2.12725972 
O       1.73203294      10.57875348       1.06408790       2.56028145       2.47102640       1.12439654 
O       1.81556083       3.45400839       0.67410415      -1.13243610      -0.63747479       0.83288589 
O      10.81890144       1.66780219       9.62987825       0.05017266      -1.16586936      -0.24100485 
O       1.59551395      10.70474364       9.18630840       0.59016291       1.18918350      -0.25215394 
O       1.38416592      10.86939205       6.46796248       1.09399107       3.31853115       0.61880663 
O       0.07595882       2.68874549       7.12221431      -4.58693074      -3.12959021      -0.96124451 
O       1.08425703       3.33674435       3.34591864       1.51173607      -0.68539239      -1.20184193 
O       1.89066947       6.44149945       0.71190480      -4.13357443       0.39604756       0.53904758 
O       1.71074850       7.05922404       8.64370953       0.10773922       4.95249815       3.67817165 
O       0.10551483       1.34584808       1.83990722      -1.03314054      -0.14764696      -0.07712953 
O       3.44196052       5.28325370       6.61905531       3.02664507      -0.50060428       2.10749419 
O       3.52793499       1.91158820       6.95009435      -1.46743625      -0.96523688      -0.84751748 
O       4.86596399       3.48991087       8.90783487       4.41664896      -0.65071959      -3.27492829 
O      10.64325254       5.03306369       1.43003756       2.89014338      -0.35794473      -1.59826496 
O       2.11141907       7.04456754       6.28063741      -0.39226038       2.75349243      -2.05027444 
O       0.17558031       9.03477195       6.82891046      -4.35299660      -2.33372395      -1.56243205 
O       3.71972020       1.86234427       4.07267407      -1.73929923       1.72423728       0.43232500 
O       4.61384134      10.80335674       3.45706110       2.42708496      -1.94774188      -1.49659899 
O       5.58213777      10.32114012       0.71762140      -3.97297221      -0.00289309       1.59177643 
O       3.73470023       1.46437600       1.36267319       0.68352079       0.47895460      -0.12661052 
O       3.28930542       1.48755506       9.55650850       0.02415756       0.54232147       0.27959940 
O       5.56183630       0.19306685       8.75269228      -2.79372828      -2.46738283       0.51138256 
O       0.34698046       8.89908408       9.67758609      -1.49324185      -2.13757504       1.90535861 
O       3.56117889       5.44994640       3.88494956      -0.38460014      -2.50295526       1.32285993 
O       5.60602305       3.49631104       3.59882337      -0.13776312      -0.62708562      -0.92963814 
O       5.57416366       3.63681254       0.84047914      -0.34388266      -1.32190254      -0.32900881 
O       9.05427954       7.37366606       6.02709611      -1.39161642       0.52856078       2.23852701 
O       3.42154039       5.30104712       9.31804242       1.07402591       1.05857557       0.53574986 
O       5.51820271       3.62789205       6.24040973      -1.42098670      -0.31391893       0.95725567 
O      10.57894564       5.40230620       8.78481908       1.93888758      -1.41028467       4.34118676 
O       9.20912858      10.80039062       6.49088307      -1.16048190       0.35108408      -1.33755596 
O       1.64644982       3.66825746       5.79244287       1.37971545       0.99666444      -0.50219039 
O       6.97983906       1.58608960       1.51561249       1.39138976      -1.40118903      -0.48533645 
O       9.28266656      10.79676845       1.07603298      -4.98308349      -0.51823640       0.47550952 
O       6.69802488       9.03007872       4.52810525      -0.48141331       1.33303313      -2.98951731 
O       7.41926439       1.46572523       4.16749910      -2.76504791       2.63639982      -1.33148075 
O       3.39904937       9.63045690       7.05787730       2.33397132      -0.58644819       0.86099520 
O       9.26010181       7.41756018       8.90047907      -1.52962868      -0.09493696       0.30443946 
O       7.38640680       1.32099242       9.32219432       1.42826383       3.52481292       0.11441765 
O       7.17339126       9.22992624       9.23297407       0.01320350      -2.06693994       1.30477953 
O       5.48164758       7.30450872       9.01828644      -1.06692156       0.17053096      -0.92721313 
O       8.94257140       7.39161177       3.62471625      -1.01378052       0.41029133      -1.00767461 
O       5.30760451       7.47408887       6.29209069      -0.37815196      -0.45651446       0.86865932 
O       7.25139217       8.71912739       1.40626124       0.42912243       0.50089219       0.82173675 
O       9.37049370       7.02693605       1.12005617      -2.48606943       1.04281050      -0.33021167 
O       7.23292770       5.41486353       9.53805506      -1.63644071       1.75613549      -0.15626920 
O       3.54307475       9.00352182       9.56595863       1.04801882      -0.24093475      -0.53196704 
O       9.43794015      10.63751565       8.91938785      -0.32066964      -0.10128750       0.75074062 
O       7.08317156       5.50920356       7.09253474       0.25354832       1.56374483      -1.37012815 
O       5.36387365       0.45167589       5.89488273      -0.74366210       0.50781109       0.93327163 
O       0.07589112       6.03088326       6.53229822      -1.71746509      -2.48651318       1.47363786 
O       0.07217068       9.31069168       4.09958744      -0.39148531      -3.90706091      -0.41510347 
O       1.86053937       7.12267878       3.39748173      -0.83616095       1.62645337       0.54914768 
O       3.17167556       9.06794803       4.41464270       0.69199313       1.60902504       0.23972620 
O       3.69883643       4.94515461       1.40342882      -0.47503604      -0.48629044       1.39281531 
O       5.21529254       6.93842856       0.89018034       2.48504858       0.60031356       0.59869963 
O       8.74996558      10.58134819       3.72274794       0.72700158      -0.48075152       0.04956596 
O       8.75390294       3.66383398       8.78118640       0.30255472      -0.65732468      -0.48761005 
O       7.28113388       5.23048347       1.33150121       2.03335911       0.30136600       0.71390741 
O       9.24921220       3.09232552       0.69244204      -2.19387674      -0.47552017      -0.68153935 
O       8.73207991       3.45011057       3.18660641       0.02305805       3.25006392       0.53123580 
O       7.27549581       5.40944371       3.96303041      -1.06007672       0.88772784       1.51971458 
O       3.30084702       8.99325166       1.44082409       2.88926219      -1.43369681       1.14223981 
O       8.96044852       4.15750279       5.79584319      -2.15198952       1.04142081       1.94027056 
O       7.41949797       1.99463895       6.62842212      -0.03017647      -0.73933716       1.53143073 
O       1.42214413       3.41644651       8.64037277       1.95504269       2.48928768       2.73126100 
O       6.86817890       9.56340618       6.84753683       1.26021405      -1.72362528       2.30308799 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.015119689093892939 0.005512756974065565 -0.0045146553295655235 0.005512756974065565 -0.02380006582605103 -0.0033793219422316514 -0.0045146553295655235 -0.0033793219422316514 0.011590071125072307" pbc="T T T" energy=-1061.7606544 free_energy=-1061.76067372 config_type=crystal 
Hf       2.07207202       1.65062099       2.48182803      -0.99506327       0.55043416      -1.28970947 
Hf       3.45912605       7.23321551       0.19204307       1.76307347      -0.54959440      -1.22226817 
Hf       5.64172767       5.22098528       2.56594370       0.90652838       0.96052677      -2.64360784 
Hf       9.05058474       5.56589199       7.41577539      -2.97346718       2.54122673       3.11706396 
Hf       0.23613423       7.35718013       5.12115923      -0.11659718      -1.56357191      -0.07580335 
Hf      10.93740482      10.70531390       0.13245084      -1.67984178       1.06774191      -1.42702160 
Hf       7.15764694       3.48573543       5.03782777      -0.25122796      -0.15880399      -1.34610652 
Hf       7.21563058       7.37543743       5.19295462      -0.06221315      -1.15453411       0.75678535 
Hf       1.68701255       4.87522794       2.33377902      -0.05265786       0.38697692       0.48626541 
Hf      10.66573678       3.63273022       5.13256075       0.37130486      -1.55806819      -1.85315675 
Hf      10.90206043       3.42015610      10.12689869      -1.48499046       2.04430108       2.88147224 
Hf       1.55843074       5.59655170       7.89829362       1.29092182      -0.51063850       0.37446436 
Hf       9.09600361       9.10284453       7.82487752      -0.87892934      -2.21027817      -0.13227782 
Hf       1.75369657       1.56397776       8.15187647      -1.59537001       2.46556890       0.59141068 
Hf       7.12701232       7.32152175      10.30075235       0.30318156      -2.01315928       2.67160941 
Hf       9.08114300       9.09910952       2.63075966      -1.75454762      -1.19690609      -2.05016177 
Hf       5.48325198       9.00962639       2.77807176      -0.27426253       0.91490967      -4.95182625 
Hf       5.23285347       9.15496288       8.08672039       0.59704832      -2.23617638      -0.75943089 
Hf      10.77150381      10.88574224       5.08942561      -1.05056415       0.58235446       0.02910786 
Hf       3.54414570       3.76295773       5.44074967      -0.55282413      -2.32919721       1.53909151 
Hf      10.72529359       6.94991735      10.42102842      -1.48991161       4.68657500       1.79232467 
Hf       1.73377462       9.05189552       8.04689575      -1.43055274      -0.86541289      -0.78917167 
Hf       7.32120874       3.69691463      10.28654021      -0.86311107      -0.17035224       0.61724247 
Hf       9.13517459       5.45172017       2.51389955       0.53070116       2.51053737       0.08256822 
Hf       3.65802259       7.27667972       5.05094013      -0.26895351      -0.51773653       0.46573975 
Hf       3.44301393      10.77589443      10.57563402       3.48087781       0.40013291       0.04541008 
Hf       7.31560748      10.76812103       5.42011793      -0.93431220       1.87927885      -0.91359614 
Hf       5.31457274       1.53658809       2.65650268       3.31358660       0.86673857      -1.50704385 
Hf       5.44750080       1.78728449       7.59492644      -0.16214842      -0.90767232       0.16915583 
Hf       1.79629843       9.21997469       2.76742182       0.24008425      -0.00870172       0.36061950 
Hf       3.20564759       0.03734079       5.44304096       1.85023759       1.99148479       0.92861988 
Hf       3.64397349       3.44862483      10.52624074       1.79030079       0.38903016       0.70527054 
Hf       7.29516556      10.81562943      10.45693211      -4.65835075       0.51786145      -0.82474364 
Hf       9.03970905       1.75324124       2.46435842      -1.19480208       0.06825536       0.00927915 
Hf       5.26661757       5.54231490       8.10802749       3.24401111       0.14680099       1.03130641 
Hf       9.07786354       1.66280833       7.95094575       0.55844639      -1.92340909       1.22985214 
O      10.63962655       9.25135355       1.33878218       1.94133287      -1.33877321       4.68582227 
O       5.22971666       7.29010345       3.67820318      -1.19320424      -2.03220399       0.70805508 
O      10.65771172       5.52696291       4.06102044       1.43846818       0.77912090       0.66875499 
O      10.18133718       1.63771526       4.49065684       0.55770007       2.35606998      -2.08385376 
O       1.61554218       0.28182009       3.89197204      -0.59571027      -2.47705659       1.53545335 
O       1.93805921      10.88101867       1.38389091      -0.72005425      -2.10285805      -1.75288275 
O       1.92149418       2.87647151       0.86932295       0.34601880       2.26662919      -1.59232167 
O      10.87019841       1.60174551       9.44814159       1.28068500       0.21632549      -0.70717774 
O       1.64018693      10.74042865       9.25038851       1.11110449      -0.25718260      -0.31078405 
O       1.22300437       0.48624788       6.64717922       0.62151731      -3.59956199      -2.63466549 
O      10.33212636       2.19506068       6.65199469       2.19295553       2.04496302       0.42829734 
O       1.20381274       3.13743159       3.33955059      -1.58674601       2.91097883       1.98607050 
O       1.35420981       6.42438509       0.89270250       2.47276686       0.72230879       0.80106595 
O       1.77872249       7.42709004       9.11708119       0.83426313      -2.03533873      -1.45926526 
O      10.81684872       1.39218801       1.69938546       0.38571330      -0.99214886      -0.23394852 
O       3.86535415       5.35591598       6.89431931      -3.48626007       0.01891263      -2.46106365 
O       3.32054273       1.88420850       6.71041050      -0.03581699       0.89878118       0.85140200 
O       5.42945769       3.52681430       8.79103991      -0.42270566       0.73644171       0.86636179 
O      10.92655761       4.30247587       1.38015535      -1.28321267       2.37048863       0.16677328 
O       2.05786603       7.71790008       6.22001895      -0.30238008      -1.72750332       0.25787253 
O      10.83114279       8.56886432       6.75749357       1.92740708       3.96001588       1.42642948 
O       3.36175011       2.18700298       3.93866481       2.76505858      -0.68494862       0.75020149 
O       5.09739875      10.75896204       3.46991411      -1.36776076       1.96071267       0.89577075 
O       5.24442619      10.21843857       0.67438656       1.92189133       0.64470412      -0.25895079 
O       3.97893862       1.44120067       1.15229754      -0.87731483       1.08195028       1.35134113 
O       3.24427823       1.77645722       9.36073815       1.39685337      -0.04004280       1.06649501 
O       4.95302157      10.93354447       8.81372230       1.69931369       2.73899444      -0.66000274 
O       0.08735087       8.83700902       9.84482958       0.54347509       0.11679425      -2.50715458 
O       3.12217679       5.14377648       4.25976541       1.19365072       2.95616746      -2.13628321 
O       5.82789673       3.40558638       3.41975724      -1.81989364       1.42542700       0.59408599 
O       5.66121368       3.28727001       0.81762360      -0.25723229       0.96442686      -0.97516878 
O       8.85600585       7.48044181       6.41634189      -0.70588982      -0.17537383      -3.36787496 
O       3.50926180       5.60750375       9.49907353       0.07874826      -2.46877761       0.49540284 
O       5.53742863       3.46710881       6.30914173      -0.24727213      -0.05876604      -1.81077548 
O      10.89811945       5.42148786       9.38245001      -0.09213800      -1.77469475      -2.38066433 
O       9.10651578      10.79320140       6.34593742       0.63341879      -1.03169405       0.72981536 
O       1.55853844       4.30472897       5.98247589      -0.46738297      -1.00389134       1.43929558 
O       7.08816607       0.85751341       1.47125109      -1.77491892       2.87087439       2.66781346 
O       8.84618270      10.70391372       0.75897437       5.06940390      -0.83735477       1.62168039 
O       6.97208824       9.27860737       4.10942352       1.02195924      -0.73450117       2.85884070 
O       7.28913778       1.73351672       3.87782314       0.54375224      -0.96062141       2.11442326 
O       3.55138225       9.61339862       7.04046891      -2.18967401       1.06854302      -0.08735279 
O       9.02562851       7.22819766       8.75380440       1.32639642       0.45673441       2.12682353 
O       7.45573165       1.65233714       9.26408441      -1.49165590      -0.29553197       1.07612813 
O       7.36367846       8.90636554       9.24975258      -0.98374619       2.72573464       1.38911293 
O       5.22574424       7.26366706       9.21160308       2.08626052       0.17470489      -1.19581768 
O       8.74484595       7.36809899       3.59506687       0.34355136      -0.65957437       1.27642872 
O       5.20061479       7.70666043       6.31417648      -0.98736160      -0.16349760      -0.69328060 
O       7.11881636       8.70610619       1.76994491       1.79076477      -0.16986668      -2.17987983 
O       9.11647544       7.13467977       1.15738703       1.37171916      -0.68857116      -2.28464592 
O       7.34316664       5.63170731       9.20201849      -1.01462618      -2.62623004       0.99716303 
O       3.86870099       8.96013277       9.68767142      -3.46720562      -0.51371398       0.00259271 
O       9.70674725      10.62181362       8.94413949      -1.83327407       1.29660638      -1.00213993 
O       7.04598547       5.93836981       6.63202110      -1.17292896      -1.27324490       1.71178090 
O       5.19646958       0.51616817       5.90021944       0.86246526      -0.68110210       0.40309144 
O      10.87156912       6.18291244       6.89671126       1.05985551      -2.00225273      -0.41032601 
O      10.94948118       8.93866000       3.91067886      -0.43329126       2.35841480       1.07291342 
O       1.72238082       7.31202487       3.45851929       0.90368244      -0.92121217       0.68161176 
O       3.15627526       9.31575445       4.41211926       0.17273473      -2.05274891      -0.79551374 
O       3.70329409       4.79788866       1.61219832      -1.84076345       0.02906130       0.34608648 
O       5.39236210       6.66365273       0.98863380      -0.65623149       0.66948340      -0.32854180 
O       9.05870807      10.73359682       3.79306909      -0.42847838      -0.73803243      -0.73678593 
O       9.30438629       3.58414551       8.71843002      -1.18624092       0.76198368      -0.19314753 
O       7.54363438       5.16722397       1.39332691      -2.54759978      -0.60589790      -0.27650481 
O       8.81581234       3.03119203       0.68379142       0.74589096      -0.97671438       0.36062812 
O       9.09239371       3.76026409       3.41189614      -0.80822229      -3.69511295       0.99592675 
O       6.98375736       5.56989948       4.09724279       0.28056287      -1.26930462       0.03037129 
O       3.62715384       8.87666766       1.68254498      -3.25388090      -2.02962393       0.24506281 
O       8.79864407       4.26395425       5.95410783       1.32924591      -1.22919913      -0.79832902 
O       7.36766327       1.58948509       6.72480610      -0.56486359       1.11305250      -0.37218353 
O       1.53769323       3.84827791       8.91448799       1.54155388      -2.51008758      -1.19385334 
O       7.02525431       9.33019731       6.99302658       0.80722759       1.61518238      -1.90453910 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009556496831388542 0.0017607119298691492 0.00036263031956482785 0.0017607119298691492 0.012040312253693822 -0.0010646165396848114 0.00036263031956482785 -0.0010646165396848114 0.00818841387377708" pbc="T T T" energy=-1064.83147722 free_energy=-1064.83147839 config_type=crystal 
Hf       2.05394685       1.63549207       2.38921043      -1.10595027      -0.94476873       3.17290034 
Hf       3.57658467       7.00608427      10.53443613       0.84982480       1.98309286       0.05418114 
Hf       5.54702663       5.31021576       2.57648916      -0.28990818       1.56879388       1.64238325 
Hf       8.82136002       5.43201581       8.07611413       0.64770946       1.83739921      -1.18230938 
Hf      10.70367291       7.02808764       5.43546153       0.92638472      -1.41143264      -1.74055142 
Hf       0.08050765       0.10981429      10.40550338      -0.03390810       1.17453799      -1.32742485 
Hf       7.15840422       3.40883121       5.23101516       0.46013219       6.28712331       1.34049566 
Hf       7.08930078       7.31254276       5.30597714       0.51140092      -2.61380972      -0.07982309 
Hf       1.85104217       5.42666621       2.55295485      -0.08706493      -1.91645395       1.21752624 
Hf      10.86457218       3.37558414       5.38529127      -0.13028612       4.01021006      -0.66543286 
Hf       0.11108387       3.71495577       0.05637005      -0.28979084      -0.72914707       0.70231974 
Hf       1.61205708       5.29234192       7.72092473      -0.17873739       1.65645256      -0.87559570 
Hf       8.97947022       9.10831596       7.67141379       2.82277514       1.29568011       2.34359223 
Hf       1.58583783       2.00902615       7.93013491       0.30714950      -2.92947591       1.25866842 
Hf       7.21665869       7.40404541       0.18853699      -1.22061869       1.59648651      -2.50204023 
Hf       9.08678643       8.92388813       2.49788313      -0.16885778      -1.41893452       2.45950275 
Hf       5.01405207       9.10377174       2.58674274       3.29063593      -0.03587068      -0.07548055 
Hf       5.54355840       9.13886589       7.77866731      -3.14191076      -2.56843703       2.84260626 
Hf       0.03366089      10.62647365       5.46752975       0.52183840      -0.68227276      -3.19519720 
Hf       3.61579345       3.21284897       5.02141680      -0.52131152       1.05025836      -0.91999151 
Hf      10.80831838       7.53625464      10.24899879      -0.81535071      -1.18326780      -0.70485212 
Hf       1.72681340       9.00830608       8.01770916       0.25825728       1.42241909      -1.41214537 
Hf       7.21513066       3.81408697      10.38551831       1.74167511      -0.67949513       1.84143286 
Hf       9.22550243       5.35090251       2.43458552      -0.47502035      -0.55634180       2.34151185 
Hf       3.50976402       7.01282473       5.08126785      -0.84608630      -0.33395248       1.06665494 
Hf       3.44087839      10.74323119       0.07235277       1.73656259       0.02368117      -2.72866378 
Hf       7.03989722      10.93145242       4.98431500       3.86523339      -0.53554247      -1.35059288 
Hf       5.51385756       1.72738212       2.49254535       0.85426655      -3.15322061      -0.62490178 
Hf       5.44497905       1.75043311       7.91842271      -0.47876705       1.87460091       0.80070659 
Hf       1.59143153       8.86467051       2.43368674      -3.52400930       0.09778945       3.19431344 
Hf       3.57762417      10.80681335       5.63717603      -1.80221249      -1.54804445      -1.77453121 
Hf       3.67244846       3.46598604      10.52629941      -0.70666066      -0.46545410       0.42178705 
Hf       7.32896920       0.11779836      10.46104543      -2.87429478      -0.58124878       1.12997468 
Hf       9.24095368       1.68064700       2.46943483      -0.67721856       3.36817821      -1.50651195 
Hf       5.31873350       5.42605180       8.00507850      -0.69311081       1.90079497      -2.46954656 
Hf       8.88721928       1.89902090       7.78225544       2.61839851       3.93330648       1.18097423 
O      10.77357099       9.34411822       1.07007883      -1.32452760      -1.28565585       1.61398199 
O       5.43394034       7.30702367       3.34798938      -0.70116146      -0.53687073       1.00489559 
O       0.02365137       5.24228560       4.29678749      -0.50244714      -0.31088786      -1.92646347 
O      10.64780432       2.14812101       3.94234191      -1.26603431      -1.38917973      -0.90249019 
O       1.29344345      10.95477315       3.70034328       0.30705694      -0.01583988      -0.32033291 
O       1.68137251       0.05817439       0.95949992       0.43882870      -1.43491694       0.67754018 
O       2.12035029       3.70505253       1.19186952       0.66164377       0.47498375      -2.85340478 
O      10.78525742       1.81344128       9.12940637      -0.66948773       0.95842496       0.95919605 
O       1.65071927       0.23106598       9.03560108      -0.14751607      -1.31130181       0.05468307 
O       1.79493024      10.89119132       6.57923047      -1.73758837      -0.54287625      -0.79136285 
O       0.01397525       1.82561943       6.66814407      -1.92912352      -1.53246640       0.01616125 
O       2.16750195       3.24834641       3.45924344      -0.09965554       1.00212896       2.53921924 
O       1.40780360       7.27896481       0.94691795       1.24490627       0.19483538       0.10243792 
O       1.13238729       7.19558823       8.46135501       0.24427311      -1.83959844       2.89649460 
O       0.50125091       2.07151063       1.35066327      -4.95631396      -0.96918362      -1.12439457 
O       3.50971702       5.56917496       6.68028611       0.50629601      -0.54170771       1.48697219 
O       3.79132731       1.76841574       6.51226468      -0.53537842      -2.36238373       2.74895649 
O       5.29338329       3.58507951       9.05484850       1.03131468      -0.62396255      -1.13141754 
O       0.06147740       5.20059035       1.57027755      -0.48207956      -0.70949960      -0.74711514 
O       1.63682432       7.16615668       6.19652854       1.00819347       0.08600161      -0.65072830 
O      10.68157608       8.89999496       6.68345982       0.94262149       0.32330355      -0.26561527 
O       3.69632104       1.18576865       4.11707310       0.72685508       1.56945131      -0.70364824 
O       6.01774789      10.78431904       3.29167715      -1.35599069       0.68662040      -0.21041480 
O       5.33580438      10.44407082       0.86556411      -0.65908164       1.18798836      -0.06586470 
O       3.73343503       1.55378693       1.33573102       1.87089883       0.89939079       0.82941256 
O       3.46950346       1.60695706       9.60241345       1.12196377       2.52881397      -1.34545794 
O       5.27752361      10.91692477       8.90608108       0.28498480       0.61576542      -2.50491842 
O       0.07816964       9.22976990       9.18033990      -2.49257274       1.79298310       1.99704582 
O       3.39462369       5.27713609       3.94081155       2.51376077      -0.33363665       2.58747650 
O       5.19552540       3.41497676       3.33054656      -0.67703484       1.62691263       2.66732342 
O       5.48753764       3.96302032       0.97552941      -1.29006661      -1.13317948      -1.73238394 
O       8.95769758       6.54657242       6.47748330       0.46029454       4.00725382      -2.60914612 
O       3.52159672       5.29701356       9.48682860      -0.61251638       0.21637773       0.00254812 
O       5.31369791       3.44632769       6.30020838       1.17530186       0.25381499      -0.74274474 
O      10.81571521       5.17442074       9.34999351      -1.17548061       2.63243684       0.00104984 
O       8.94205274      10.56493358       5.88300567       0.56639079       0.63219375      -0.30388846 
O       1.86635964       3.54279680       6.30494338       0.24279719      -0.77279633       0.21641877 
O       7.17176703       1.66754823       1.39715388      -1.92100774       0.43310590       1.08744152 
O       8.98511322       0.96429475       0.41027153       4.52114014      -3.21883462       0.11873972 
O       7.46669445       8.99922279       4.34106546       0.13138881       0.96084037       0.21758426 
O       7.09397954       1.90893148       4.15753229      -0.53302221      -4.52764864      -1.63199461 
O       3.44577123       9.07842996       7.12275576       3.13658971       0.85466501      -1.25754766 
O       8.97066565       7.53986442       9.09533171       0.91338417       0.07664658      -0.98645890 
O       7.17796506       1.86807086       9.47060545      -1.29669396       0.06376997      -1.91946174 
O       6.74256979       9.16421172       9.75624579       2.26017004      -0.07211760      -0.93991225 
O       5.17753619       7.28984445       8.99868572      -0.95379519      -0.50571408      -1.10030439 
O       8.89538489       7.06610573       3.72235318       1.62722809       0.15022111      -1.43814860 
O       5.29839994       7.32877320       6.20895671      -0.84202398       1.18956720      -0.25195131 
O       7.40886912       9.08205103       1.62080877       0.19803550      -0.69310772      -1.10264270 
O       9.07475400       7.03230395       0.80602577       2.15360685       0.54725443       2.23959275 
O       7.24218607       5.75139778       9.36430758      -1.21095506      -1.71595024       2.25269206 
O       2.96608819       8.97664237       9.65552337       0.43874003      -0.90612352       1.27695674 
O       8.89179078       0.12095709       8.29881347      -0.61333941      -4.53310357       2.63147296 
O       6.91585076       5.41805666       6.84905624       0.27724712      -0.82473772       2.21307258 
O       5.50656109      10.27596502       5.92191791      -0.40636294       0.48681526       2.84488684 
O      10.89884463       5.20754468       6.62584873       0.90264671      -0.32351504       2.65488467 
O       0.21522251       8.81486980       4.24300401      -1.57067419       0.52118878      -0.69247441 
O       1.83116294       7.05025382       3.71750604       0.38679090       2.76182035      -2.35681934 
O       3.70195987       9.21965127       4.21634648      -0.53830904      -0.48787404       0.47822961 
O       3.54420552       5.78350609       1.56290304       1.39716339       0.58538125      -1.10606393 
O       5.29010109       7.52982062       0.87860398       0.19471712      -0.57595032       0.25803941 
O       9.10681860      10.80885511       3.10367459       0.06679614       0.24482403       0.34083327 
O       8.72039435       3.69259392       8.90916062      -0.71930393      -2.19074892      -0.56677701 
O       7.41825983       5.32978822       1.62003136      -2.68338006       1.40438203      -1.57108061 
O       9.08217417       3.52194370       0.75417230       0.57487766       0.73503560       0.25441264 
O       8.39670513       3.66812194       3.31535835       1.59676099       0.03228788       0.49833595 
O       6.77058406       5.55644200       4.45781280      -0.80754617      -2.94590618      -1.98486959 
O       3.28067603       9.16354767       1.68242902       0.77568462       0.23427053      -1.62123073 
O       8.92387904       3.67375737       6.30774019       0.35482315      -1.60670499      -0.61369118 
O       7.26863549       1.66674954       6.70045496      -2.89441307      -0.61972360      -0.19649217 
O       1.57854059       3.58409128       9.13462308       2.13793479       0.15758503      -0.98036335 
O       7.27657399       8.51553128       7.23758563      -1.07854451      -0.51580704      -2.43159905 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009917237758759837 -0.00459797301643412 0.0037474892543382693 -0.00459797301643412 0.01579557004605619 -0.0017376143203299951 0.0037474892543382693 -0.0017376143203299951 0.008018346743560223" pbc="T T T" energy=-1067.22425269 free_energy=-1067.22425454 config_type=crystal 
Hf       2.02818140       1.57721513       2.40634661      -0.41702124       0.13594403       2.19099556 
Hf       3.61477476       7.07758444      10.52006816      -1.66513540       1.40668423       1.34732057 
Hf       5.58706369       5.37696333       2.57853343      -2.77508638      -3.23884726       0.73371712 
Hf       8.76872926       5.50917146       7.99638409       1.62079402      -0.26807883      -0.96022376 
Hf      10.71207080       6.96803243       5.44274537       2.12468390       1.66350390      -2.69414971 
Hf       0.09666336       0.05306637      10.40830731      -0.44379324       0.65744640      -0.46417342 
Hf       7.14704285       3.38425811       5.21777865       0.39109221       3.24222174      -1.09242681 
Hf       7.10402400       7.31079166       5.33798988       0.76962494      -3.77987693      -1.65604068 
Hf       1.87755010       5.45478380       2.50125561       2.42219126      -1.94901725       0.11175572 
Hf      10.89699219       3.45648226       5.43542911      -2.48461507      -0.52371815      -2.64524592 
Hf       0.11470034       3.72983818       0.09148699      -0.81505565      -0.48243692      -0.59471153 
Hf       1.60125413       5.29287975       7.69862732       2.03868496       2.68389932       1.59024305 
Hf       8.97424826       9.14993254       7.74646951       2.98957137      -1.67922897      -1.54803751 
Hf       1.55255055       2.02545884       8.01525620       0.55769786      -4.88552550      -0.49809150 
Hf       7.19159882       7.39620825       0.18750651      -0.77158174       2.24126072      -0.61858147 
Hf       9.12041182       8.94505238       2.55826074      -0.41950519      -1.73418509       2.00607857 
Hf       5.00937868       9.02960060       2.62874472       1.51210916       1.98381645      -1.10475438 
Hf       5.59010234       9.11153615       7.81476488      -2.63585420      -1.41791590       0.33449164 
Hf       0.03376979      10.68954778       5.45083818      -1.01320261      -1.04821867      -3.18295077 
Hf       3.62262287       3.27728548       5.02110580      -0.17563375       0.27732688      -1.02826654 
Hf      10.79808613       7.52427973      10.23957162       0.02239043      -3.72686519       0.43290177 
Hf       1.75660265       9.02821609       8.01041766       0.35930297      -1.08565364      -2.69633869 
Hf       7.18393520       3.83343614      10.36233614       1.05267507      -2.37523745       1.82101038 
Hf       9.20305654       5.30628486       2.45309805      -2.20327904      -1.83234954       2.03867413 
Hf       3.55615545       7.04084678       5.04159405      -0.60086698       0.49021994       1.49953698 
Hf       3.43845065      10.74618515       0.04915615       2.09091590       0.58312245      -2.83857519 
Hf       7.07758707      10.92955430       4.98161279       2.68126532      -1.72031886      -0.25165687 
Hf       5.50433581       1.72177605       2.48616976      -0.06193164      -1.31098285       0.09179107 
Hf       5.38901624       1.73283755       7.96116320      -0.95889785       1.31410422       0.82561748 
Hf       1.55686502       8.86701225       2.40999693      -4.03971254       2.27777672       2.42564937 
Hf       3.55282921      10.74004376       5.59087239      -0.54900970      -0.48300404      -1.14628700 
Hf       3.70163185       3.48279966      10.47065585       0.09070597       0.02972002      -0.96215752 
Hf       7.34722792       0.09025158      10.45342157      -3.96584374       0.11825923      -0.12624475 
Hf       9.30408007       1.64154164       2.48421700      -1.10663948       3.45659890      -1.72649451 
Hf       5.25851604       5.40050701       8.00849190      -1.18438179      -0.03852668      -2.09575927 
Hf       8.90969420       1.92872886       7.77876733       0.48369000      -0.60768575       0.85785416 
O      10.63791149       9.44277251       1.22573320       0.30261783      -1.97028183       0.64716622 
O       5.22557058       7.10380006       3.28882933      -0.18024978       4.10640215       2.78654598 
O      10.82359411       4.97961014       4.10637746       0.37311501       1.63074728      -0.56768523 
O      10.48412497       1.91505183       4.06775582       0.82044799       0.13311754       1.02478041 
O       1.34606347      10.75906535       3.64178376       1.13032492       1.55493045      -0.77703677 
O       1.70157121       0.00054955       0.89848436      -0.30929974      -0.53712103       2.63794229 
O       2.18428896       3.64662440       1.07434775      -2.02334816       1.23025796      -0.79361998 
O      10.77430942       1.80042314       9.38195587       0.17488816       1.52938173      -1.45268336 
O       1.91861439       0.30848020       9.18726416      -2.28286584      -0.76431052      -1.95733173 
O       1.70851359      10.73593494       6.55068778       1.11810713       0.26977593       0.10206128 
O      10.76966923       1.58714094       6.77286119      -0.26279757       1.01843857       0.47271105 
O       2.10442136       3.31564616       3.44090427      -0.84077377       0.78957128       1.32354848 
O       1.58650987       7.22993167       0.72875368      -0.63210128       0.02413982       1.22708880 
O       1.03310347       7.05846731       8.65000902       2.32189377       1.90999145      -1.10203255 
O       0.37331496       1.98044874       1.28795366      -2.53405594      -0.67184570       0.95919646 
O       3.47387611       5.56405675       6.71221201       0.28405334      -0.44151983       0.37162003 
O       3.72264184       1.77053430       6.63820728      -0.91202431      -1.78523433       0.57311415 
O       5.39888705       3.49065577       9.16101032       0.19037427       3.14642627      -3.92077976 
O      10.90524217       5.11638133       1.55683091       2.82966502       0.54696389      -0.38157242 
O       1.75249141       7.36192342       6.23281839      -0.75406827      -1.23203527      -1.04427345 
O      10.85534285       8.99298806       6.78419160      -1.85081789       0.28648866       0.16764168 
O       3.65519506       1.43014245       4.10387571      -0.27003879      -0.44729888       0.60663218 
O       5.72480307      10.93208491       3.37968655      -0.47690014      -3.27221421      -0.03104782 
O       5.17839974      10.48480446       0.86710904       2.08139615       0.14785868       0.42385548 
O       3.79106097       1.52106333       1.38601363      -1.25582230       1.04162404      -0.08270888 
O       3.76476448       1.73362912       9.43614453      -0.35938021       0.87774234       0.24434405 
O       5.34418561      10.92371464       8.82689344      -0.22952743      -0.99760998      -1.77450036 
O      10.90564283       9.13017340       9.24715687       0.07890775       4.68577973       0.23422272 
O       3.54413650       5.31541647       3.88029704      -0.99091997      -0.20899314       2.72428093 
O       5.17718779       3.48096234       3.29733221      -0.37893311      -0.14442965       2.38919954 
O       5.41003369       3.88331038       0.75893685       0.57642591       0.02398974       1.70864876 
O       9.01577369       6.78738081       6.29149834      -0.87274428       0.54788003       0.74775980 
O       3.32459009       5.47853586       9.32611451       0.84686242      -2.15150098       0.80158339 
O       5.17719064       3.64962218       6.36399247       1.86057446      -0.19217903      -0.91770496 
O      10.84100933       5.33210322       9.37375677      -1.61568508      -1.59762938       1.11675141 
O       8.95576461      10.70865975       5.79363130       0.69049786      -0.38155505       1.41622065 
O       1.66560836       3.43114859       6.35149617       2.13372352      -0.50513447       0.33064590 
O       7.12976282       1.63704892       1.45759612       0.97241014      -0.51306999      -0.89467637 
O       9.07831953       0.62795782       0.33310595       2.68906033      -0.82590643       1.48048625 
O       7.49991808       8.95555327       4.43897471      -0.40760850       0.74218642      -1.65303213 
O       7.00439748       1.67520176       4.15879374       0.32307338       3.12974873       0.01822100 
O       3.60940906       8.90753904       6.90397299      -0.39018050       2.54256318       1.11908162 
O       9.01366017       7.48366277       8.90721403      -0.25926153      -0.92607240       0.65617854 
O       6.97172976       1.84462896       9.45196452       1.52375630      -0.49060124      -0.07040839 
O       6.69181513       9.14426588       9.57050476       2.61880015      -1.75924927       0.95175273 
O       4.87850214       7.25636236       9.01042247       2.98694298       0.00983177      -2.38428491 
O       8.98556833       6.94383523       3.68584692       0.97034689       1.00094100      -0.84468632 
O       5.29163899       7.42432847       6.16361573       0.21639502      -0.99466629      -0.50914367 
O       7.38009121       9.02464236       1.60639053       0.55669433      -0.66923097      -0.86264777 
O       9.16550869       7.07987293       0.83279512      -0.83930045       0.19856273       1.07500380 
O       7.19689067       5.62543018       9.31321005      -1.13326432       0.62011135       2.77295846 
O       2.99783879       9.04107866       9.55474419       0.59247853      -1.21888548       1.38912203 
O       8.69787232      10.82821623       8.51139124      -0.63538093       2.63533695       1.54826047 
O       7.10222229       5.26063975       6.95375232      -1.82999744       0.50231238      -0.10226607 
O       5.54268400      10.43727942       5.98545988      -1.74796933      -0.25385799       2.93049422 
O       0.00410971       5.20224931       6.55631381      -0.33607509       1.20813084       1.38077296 
O       0.06150490       8.89767798       4.30841445      -1.68440159      -1.71858648      -1.09210509 
O       1.99542603       7.30172108       3.49580338      -0.53153461      -2.06098291      -0.31754839 
O       3.67549850       9.20839968       4.19359542       0.08572820      -0.47823325       0.66724361 
O       3.80449828       5.76727828       1.54003868      -2.31523723       0.12977409      -1.64165975 
O       5.15415916       7.87276555       0.94092223       2.73886874      -2.10696346      -1.85024972 
O       9.17834572      10.78832708       3.14009273      -0.95007338      -0.21536974       0.17391230 
O       8.77025401       3.58849800       8.88474656      -0.47273723       0.48787033       0.13226997 
O       7.25000953       5.40346447       1.63651290       1.81372235       1.82629429      -3.29899709 
O       9.02322421       3.59298470       0.96752354       0.91503158       0.12322142      -1.81324825 
O       8.41039597       3.47000382       3.33906697       0.85220566       0.74889181       1.23350239 
O       6.73635894       5.32940826       4.24282991       0.94103395      -0.27577661       2.38294724 
O       3.20282620       9.10176186       1.66548193       2.84271674       0.88794001      -1.39333296 
O       8.98874820       3.77929608       6.42607434      -0.12429064      -2.56619381      -1.48125738 
O       7.18868573       1.56036382       6.73454577      -0.40632679       1.22326680      -0.06617450 
O       1.80721280       3.61170884       8.98991626      -0.50457577       0.84732324       0.98487664 
O       7.31822629       8.39787885       7.02011830      -0.77103259       1.57708526       0.92242863 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0019685849169519976 0.0009991719010358938 -0.0015893064827825006 0.0009991719010358938 -0.006687269262891993 -0.004577743486443964 -0.0015893064827825006 -0.004577743486443964 -0.007647671711675498" pbc="T T T" energy=-1064.72699454 free_energy=-1064.72702427 config_type=crystal 
Hf       1.61980121       1.74041691       2.53808275       2.53406524       0.77782642      -1.64890239 
Hf       3.75322278       7.14595930       0.26233148      -2.88921704       0.17616074       0.43652649 
Hf       5.36848054       5.37037647       2.90692468       2.37275483       2.05259798      -3.29878230 
Hf       8.81229634       5.28617709       7.84427885       3.76763399       0.33998907       2.88015073 
Hf       0.12240964       7.36181211       5.37435551      -2.09759956      -0.71033754       1.04401938 
Hf      10.69594893       0.06096598      10.56087194      -1.20329338      -3.92833464      -1.30755371 
Hf       7.39551857       3.74099752       5.39632969      -2.86595646      -1.18476892      -2.59118611 
Hf       7.21101866       7.44571535       5.30344138      -0.67379902       2.58642721      -0.26145069 
Hf       1.57783941       5.34548773       2.64799118       0.28874721      -0.46087890      -2.52116299 
Hf      10.83535329       3.42590143       5.04971673       0.85425163      -0.28532388       0.87466264 
Hf      10.88120415       3.53007031      10.35106440      -0.02697065      -1.78078451       1.51247674 
Hf       1.71130529       5.50437712       7.81281733      -0.55606188      -3.58459413      -0.01724056 
Hf       9.06607554       8.88173547       7.72839224      -1.07151880       2.60170123       1.54941448 
Hf       1.72941347       1.74342707       7.81648582      -0.08183816      -0.36736275      -0.82419088 
Hf       7.38295807       7.24116540      10.62895791      -0.17276385       0.50951877       0.58011400 
Hf       8.96028385       8.98931912       2.57024122      -0.15814767       4.74842176      -1.12330636 
Hf       5.35620708       9.23802996       2.77423426       1.80161926       0.37280851      -0.65077878 
Hf       5.01083660       8.87769172       7.58337070       6.24785517       2.12820742       0.51096777 
Hf      10.81708088      10.89419184       5.09628897      -0.97337321      -2.01814678       1.78368507 
Hf       3.83862874       3.28452608       5.30388205      -2.31136572      -1.36627515      -1.99228569 
Hf      10.92508239       7.23484938      10.34733926      -2.90377166       0.13572331       4.15614072 
Hf       1.71117119       8.76454100       8.05436071      -1.62965900       4.43963609      -0.81363034 
Hf       7.03996635       3.45388557      10.62537870       2.29112243      -0.40371428      -1.99019374 
Hf       9.15876385       5.61219610       2.73144255      -0.69732376      -2.74862316      -3.57097649 
Hf       3.34317585       7.11089648       5.11492745       3.17936297       0.25714060      -0.68391708 
Hf       3.53285303      10.52757055      10.13954603      -0.56594277       1.49540205       1.71262843 
Hf       7.30929200       0.17474185       5.25288773       1.12528382      -0.11154553      -1.16522675 
Hf       5.48125656       1.79712079       2.29282124      -3.56309375      -2.43141554       2.26351764 
Hf       5.29599071       1.64586707       7.88619835       2.32289625      -0.67764382       0.47246724 
Hf       1.53484510       9.12557582       2.20623273       1.00512691      -0.18250886      -0.54911556 
Hf       3.45919901      10.77873663       5.29868681       2.61620738       0.24492059      -1.74775109 
Hf       3.54572654       3.46448583      10.40142950      -0.36555089      -0.68070189       1.09157207 
Hf       7.25496931      10.67347971      10.51199491      -0.32920342       3.10845338       1.84663628 
Hf       9.26017127       1.98778586       2.36724890      -2.60421956      -4.57156057       0.26427294 
Hf       5.17208394       5.52818242       8.22068628       1.08286873      -1.76691945      -1.44667924 
Hf       9.33453369       1.56569106       7.82331357      -3.84041658       0.73142096      -0.10861764 
O      10.74297734       9.54074950       1.48153677      -0.99090534      -1.06212718       1.14832125 
O       5.59843197       7.40011242       3.69964018      -1.02700648      -1.52498465      -1.54718657 
O      10.93714067       5.22416756       4.15136524      -0.48077115       2.38403075       0.32521166 
O       0.02561173       1.50294704       4.05754943       1.32347689       4.37525647      -3.02431473 
O       2.18995474      10.82246816       2.90743976       0.30815447       1.94892775       2.81374186 
O       1.77153239      10.47706964       0.55695131       1.32948413       0.29068013      -0.78976872 
O       1.47301547       3.64124106       1.14774355       0.11053895       0.45754125      -1.70611867 
O       0.15973169       1.67592738       9.40015644       0.36397328       0.77366892      -2.58711439 
O       2.09754044      10.84981949       8.72416639      -0.03993097      -0.66120125      -0.94279561 
O       1.82228179       0.13194607       6.21469180      -2.18489047       0.82687367      -0.97989851 
O      10.76266221       1.57438246       6.54817179       1.49387494       1.25775084       0.40500690 
O       1.70134442       3.55783084       3.55173488      -0.01841096      -1.18719383       1.72004024 
O       1.65267798       7.29088088       0.94433064      -0.45922840       0.76054030       0.15708883 
O       1.13682118       7.09994465       8.86450958       1.52497531      -1.42325721      -1.22756372 
O       0.15841039       1.42338928       1.18641982      -0.19584486       3.82846430       4.59547932 
O       3.62424294       5.60529831       6.67531089      -0.29970252      -1.30359100       0.42947931 
O       3.55835805       2.02433935       6.85020290      -0.85933355      -0.26144636       0.46226968 
O       5.20092057       3.56320575       9.07068826       0.39091852       1.45406133      -1.56152503 
O      10.73930566       5.60460107       1.45948585      -0.24904886       0.29869587       2.31721176 
O       1.72990660       7.12473884       6.59911382       1.77545347       1.72186653      -2.97982314 
O       0.10995244       9.05749557       6.82138151      -0.60500547      -0.49314237      -1.12482138 
O       4.08932152       1.42291247       4.24636830      -2.04171486       2.97798229       0.41004116 
O       6.01992233       0.13471859       3.74008480      -1.63324443       0.51260016      -2.87885352 
O       5.42413877      10.90448752       1.06933320      -1.24992943       0.33575052      -0.69414218 
O       3.48167634       2.18277757       1.61292577       0.46341826      -0.10902283      -0.89749416 
O       3.79277547       1.64031260       9.41096411      -1.67494275       0.44068688       1.56312726 
O       5.19332193      10.76321384       8.71286850      -0.67380846      -3.68899251       1.85956331 
O      10.89239428       9.24627117       9.68182005       1.03023130      -2.88271193      -2.91733261 
O       3.60424889       5.43170345       3.79001569      -0.88014605       0.03350070       4.02117123 
O       5.65286302       3.42773426       3.53931840      -0.20341388       1.75638491       1.24277337 
O       5.38787375       3.82233980       0.83139411      -2.37967273      -0.47370811       2.20207535 
O       9.18753879       7.45372145       6.29473859      -1.14723080      -1.08673567      -1.64267643 
O       3.30486327       5.44338583       9.33362517       1.83366024       1.29886656       0.76223573 
O       5.48580429       3.21043109       6.18930581       2.48768440       0.81164978       0.82586853 
O      10.60859718       5.26283961       9.75392761       0.05777067       2.26524690      -2.54817174 
O       9.12760860      10.63888044       6.02074720       0.13128172      -1.42155998       2.44681675 
O       1.56413356       3.35941122       6.24922829       0.28492767       1.00340986      -0.77969181 
O       7.24818349       1.99638172       1.68511039       1.44165512       0.98657277      -0.40731897 
O       8.93070134       0.10173227       1.01761557      -0.35857425       0.80929247      -1.27130513 
O       7.22926905       9.12688320       4.23672110       1.12905238      -0.51356977       0.07193561 
O       8.23449125       2.03468839       4.61022490      -2.19008905       1.67941523       1.27724181 
O       3.36932684       9.22326620       6.77253701      -2.92071493      -1.96236075      -0.78546327 
O       9.14020230       7.27128257       8.92438071      -0.56070786      -1.90242814      -0.14333684 
O       6.86165296       1.56309362       9.61952050      -0.05442198       1.88555080       0.34944825 
O       7.57363432       9.18151464       9.46715517      -0.19946558      -3.52167507      -0.55209654 
O       5.52026726       7.35443774       8.76249531      -0.66734200      -0.18354650       2.08610668 
O       9.02615001       7.28384582       3.55976413       1.01646768       1.69241861       2.60192433 
O       5.37001219       7.31763445       6.13604496      -1.77820419       0.51465631       0.97301634 
O       7.23145149       9.21046937       1.44328321      -0.72111383      -1.64707793       1.25362469 
O       9.19994285       7.71765324       0.92775226      -1.32413019      -1.81259933      -0.25213799 
O       7.08452506       5.44190458       9.60222903       0.68396327      -0.58733902      -0.51978631 
O       3.10763051       8.52770646       9.43546768       2.83845877       1.26088739       0.23185213 
O       9.12529107       0.03385601       8.89607622       0.49031221      -1.43913064       0.81169023 
O       7.05863078       5.14972121       7.08851921      -2.07507874       0.36669401      -0.93410563 
O       5.18805132       0.04313311       6.40255821       0.13244925      -0.81474474      -1.59888201 
O      10.80052603       5.58901781       6.86611611       1.00267178       0.33522452       0.51114623 
O       0.15403139       9.37770406       3.85900311      -0.25536946      -2.56500901       1.69282675 
O       1.60574532       7.15558228       3.90996991       0.76562434       0.46184771      -0.06990710 
O       3.86384288       9.02493532       4.17106035      -1.60451618       0.38068000       2.08212982 
O       3.46057761       5.65570851       1.51511346      -0.11707826      -1.72703746       0.22279105 
O       5.45778026       7.15352376       1.00379808       2.96961136       0.70541717      -0.45377982 
O       8.89519272       0.18389438       3.65801754       1.12295804      -2.70207839      -2.13787200 
O       9.26412770       3.35932280       8.73599593      -0.99698614       1.27939057      -0.96976194 
O       7.20587240       5.55343151       1.51085729       2.60860270      -0.18355873       1.53197085 
O       9.03630009       3.24234121       0.63325212       1.26642293       0.19711836       0.54727045 
O       9.25824433       3.65596582       3.32060940       0.62196870       2.34131730       0.72768750 
O       7.09974996       5.74908288       4.32467895       0.88223209      -5.17020084      -0.05829229 
O       3.63599511       8.88771328       1.61466414       0.37210502      -0.39445093      -1.43117131 
O       9.07213705       4.11207494       6.18884483       2.15223412      -0.99165306      -0.55647493 
O       7.35387580       1.34496502       6.92963416       0.05403414       1.94192031       1.57545884 
O       1.86800019       3.56942317       8.83316827      -0.46571001      -0.21019461       0.67627181 
O       7.17824422       8.93438661       6.98739555      -0.69789244      -0.10069982      -0.70326116 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012480966636509293 0.005642743410826833 -0.00017257709693825038 0.005642743410826833 0.0011416457188638063 0.007631170497229616 -0.00017257709693825038 0.007631170497229616 -0.00010548887544970474" pbc="T T T" energy=-1063.05326146 free_energy=-1063.05326375 config_type=crystal 
Hf       1.59692574       1.80403359       2.85360568       0.21486854      -0.33877192       1.37718778 
Hf       3.33319581       7.15126266      10.49044833      -0.29496101       0.95860038      -0.40529405 
Hf       5.13441973       5.46475693       2.29192968      -0.08515053      -0.27936764      -0.21089139 
Hf       9.06826937       5.09419105       7.78027664       0.96694472       0.63566047      -2.05769006 
Hf      10.93842734       7.23194231       4.95580186      -0.54239088       1.23888657       0.77231156 
Hf      10.69785451      10.55000088      10.50689766      -0.27543283       3.57036954      -0.61643506 
Hf       7.36206706       3.75099958       4.80813508       2.30263882      -0.62974821       1.85171447 
Hf       7.14833237       7.25689767       5.13181598       2.70867023       0.95669894       1.12585472 
Hf       1.56440110       5.57016877       2.45484791       0.76948477      -2.55013465      -0.20139877 
Hf       0.05440224       3.90895026       5.23381165       0.78281454      -1.17779174       0.74563586 
Hf       0.33531079       3.34489156       0.26507844      -3.28905484      -0.51082097      -1.83899981 
Hf       1.87308213       5.30091872       8.15132015      -3.22654444      -0.60667081      -2.80913985 
Hf       9.22111477       8.83119566       7.74697769      -1.07281580       0.26630576      -0.63468752 
Hf       1.65592435       1.46799784       8.01412145       3.37298206       1.59857276       4.23972898 
Hf       7.23955958       7.05530015      10.24653829      -1.77283040      -2.27780807       0.65286244 
Hf       8.90994114       9.19284511       2.49942136       0.98541684       0.76289869       2.08022638 
Hf       5.35994527       9.17994015       2.61386423      -0.41705751       0.13668680       0.18110329 
Hf       5.60841135       8.95575629       7.99661761      -0.60042836       0.58489516      -0.13519423 
Hf      10.92879286       0.08163688       5.66061043       0.22663604      -0.14251392      -4.59000313 
Hf       3.68341410       3.90539230       5.40104568      -3.29313757      -3.02217340      -0.17047788 
Hf      10.55307382       7.11764297      10.35609107       1.54600775       0.43919884       1.12654796 
Hf       1.91788461       9.05254071       7.66586789      -0.01101046      -2.40786600       0.97468864 
Hf       7.28894967       3.41518876      10.53722783       0.76188166      -1.97348464      -0.34804350 
Hf       8.82153378       5.56343785       2.28453901       3.17691659      -1.12182750       2.74842777 
Hf       3.65621780       7.17548451       5.13510151      -1.91812978       1.96190519      -0.30597159 
Hf       3.37174778      10.69340528       0.25195088      -1.02880431       2.15608932      -2.58555216 
Hf       7.50071195       0.01581323       5.17021143      -2.17194511       0.10749788      -0.56339517 
Hf       5.02428629       2.01223418       2.82258601       2.87216395      -1.10326216      -2.82564064 
Hf       5.44689022       1.68454427       7.50570098       1.60558762      -0.19149562       1.37868063 
Hf       1.73497430       9.00672338       2.50303883      -3.09389632       1.04411000       3.10873100 
Hf       3.53391620      10.95175532       5.27614079       0.64537458      -1.53428505      -2.58472141 
Hf       3.53831678       3.38492719      10.41651088      -0.08226778      -0.29237226      -0.03113733 
Hf       7.08977540      10.85337591       0.05504111      -1.02529086       1.60749372      -1.88749140 
Hf       8.90115487       1.81987202       2.51466058      -4.73330226       0.60615009      -0.17919865 
Hf       5.45255381       5.29256685       7.93060525       2.06266182       0.26100928      -1.07757566 
Hf       9.06849977       1.47318243       7.89040233      -2.00795559       0.74417503       2.77609194 
O      10.48806124       9.43002356       1.37301734       0.00384077      -2.93699591       3.83775520 
O       5.15951149       7.02253711       3.62386901       1.51255433       2.40175283      -0.38948947 
O       0.14980248       5.41304637       3.88420330      -2.56700638       2.14110269       1.24973784 
O      10.85192183       1.87098724       4.59483560       0.87809052      -0.63638626      -0.30116151 
O       1.96830752       0.06959076       3.94168079      -1.19853313       2.38223086      -1.46109485 
O       1.63644382      10.80274035       1.24025262      -0.09184363      -0.97466302      -0.34058390 
O       2.06697474       3.57403192       1.29356588      -2.60997313      -1.25283219      -0.66405585 
O      10.91789437       1.43620736       9.82462268       1.00883125       1.67594842      -0.39653268 
O       2.18669884      10.48179047       8.95964986      -1.16279713       0.87207961       0.12508713 
O       1.85674104       0.17798997       6.46069044      -0.25286321      -1.61517092       0.03176507 
O      10.94232998       1.78435990       7.17311532      -2.34080630      -1.73194347      -1.42775928 
O       1.69293043       3.73086147       3.89872698       0.61684623      -2.59281937      -1.97573744 
O       1.24330956       7.46911857       0.91880063       2.45878219      -0.20739043       0.68829593 
O       1.93615363       7.33650156       8.79604117       1.08767890      -1.52563770       0.55787527 
O      10.61921815       1.61665783       1.96550129       7.48474949       1.35568708      -1.52495075 
O       3.68447870       5.17105002       6.88455296      -0.36124659       2.79329041       0.98887546 
O       3.48320251       2.07167891       7.15127878       1.43743893      -0.67455032      -0.72467739 
O       5.29622933       3.79660941       9.16506815       0.16051621      -4.47637045       0.12423240 
O       0.00583133       5.24259708       1.20216498      -1.25808815      -0.30776133       0.57750225 
O       1.65685265       7.03985252       6.10754574       1.77628201       0.70376619      -0.22409841 
O       0.05644663       9.12953072       6.78342334       0.16597644       0.90650460       1.23351982 
O       3.75733489       2.04392024       4.23025495      -1.15289097       0.60846045       2.21838545 
O       4.79090520      10.82934765       3.53456437       1.31201729       0.37915369       0.67584736 
O       5.02890458      10.67917442       1.23098477       3.81750389      -0.83931633      -1.61381083 
O       3.47504895       1.52406648       1.58505845      -0.55576986       0.22473012       1.24076611 
O       3.02550543       1.58448356       9.76968627       1.14940872       0.04830206       0.25538769 
O       5.47695195      10.94271421       8.99030454       0.19682906       0.26561318      -1.51129402 
O       0.10490217       8.90369831       9.57916017      -0.23795281      -2.12193537      -2.07431627 
O       3.61469095       5.24221077       4.00292360       0.43489489       1.03066000       0.49882777 
O       5.90908738       3.92677075       3.48158039      -1.33063257      -0.06608766      -0.26789941 
O       4.81689020       3.65557578       1.20545317       2.21109823      -0.94384033       0.98831184 
O       8.98822746       7.84948865       5.87532909       1.75465910      -1.14344367       0.12264498 
O       3.64095292       5.30947086       9.45279369      -2.46672269       1.45004353       0.02699898 
O       5.56186687       3.71753306       6.18629186       0.74211625      -0.45700771       0.27336562 
O       0.05040472       5.59277407       9.33344299       1.53326429      -2.81773403      -0.50358985 
O       8.99525212      10.93347600       6.35842702       3.26391014       0.25653355       1.29990205 
O       1.61803368       3.79809779       6.51012305       3.14447115      -0.95181845      -0.28825556 
O       7.12179047       1.84839761       1.30049854      -2.77114602      -0.24271609       1.18520441 
O       8.85980484       0.34924200       0.71126016       1.17917606      -1.03060791       1.63036841 
O       7.12480381       9.14439089       4.16805287      -0.96998670       0.23857060      -1.39277156 
O       7.07237847       1.69983490       3.98522567       0.34899490       0.31394173       0.42116650 
O       3.68920709       8.87749780       6.72457885       0.26260304       1.73901726      -0.16442668 
O       9.25020832       6.99044381       8.65743859      -1.75805100       2.01934986       0.65259822 
O       7.54539358       1.55629158       9.45350934      -0.80411119       1.26550779      -0.68298857 
O       7.27451865       8.86448459       9.59065873      -0.37486215       1.56100880      -1.06053026 
O       5.69404531       7.10684923       8.76905095       0.32982629      -1.20389250       0.09466747 
O       9.23777512       7.40230001       3.25089623       1.44501728       1.91725697      -0.81747006 
O       5.46224067       7.37376982       6.09498683      -1.54759934      -0.48642863       1.07341560 
O       7.28189620       9.35824270       1.39805682      -1.66898432      -1.30989656       2.26830243 
O       8.84396608       7.00150115       0.89433596       0.89477705       1.91603587      -3.13117447 
O       7.30549882       5.01959055       9.27446639       0.90356776       2.56844033       1.19598517 
O       4.02563353       8.72465272       9.32594561      -0.93105042       0.23758645       2.97039232 
O       9.27699782      10.45879886       9.02957997      -1.01951462       1.20977996      -2.53617193 
O       7.31023619       5.79062289       6.93975105      -0.27324230      -0.61800545      -1.63824149 
O       5.50223248       0.37506212       5.97028485      -1.07495845      -0.51295744       0.89229825 
O       0.04695172       5.30122395       6.81889847      -3.19647518       1.70616695       0.04123621 
O       0.24620247       9.14629449       4.32929629      -0.09331932      -0.08606431      -1.15696565 
O       1.89415293       7.15285040       3.50819254      -0.25670135       1.53820816       0.18786873 
O       3.17856173       9.10270013       4.23134772       1.69373792      -1.76869653       0.76883633 
O       3.31265747       5.59515897       1.35627996       0.42511080       2.40478402      -0.41020306 
O       5.67912159       6.94456457       0.97554843      -2.02743533       2.41485098      -1.67302609 
O       9.15241189       0.01419930       3.75407107      -1.22351827      -0.78990348      -0.58099361 
O       9.06408407       3.36916491       8.51905135       0.44592151      -1.07323367       1.55570529 
O       7.12268065       5.33751800       1.50750522      -1.21179592      -2.32816535      -0.84312200 
O       9.02802327       3.38670108       0.82841310       1.42793194       0.78994196      -1.26102160 
O       8.88403437       3.78658215       3.23376760      -0.44513981      -3.04339500       1.16327204 
O       8.23473327       5.80566756       4.27843897      -3.80231670      -2.56771948       0.99219737 
O       3.42126277       8.77329375       1.65012047       2.64053891      -0.46626784      -2.20511301 
O       9.13524515       3.66266990       5.92506282      -1.24291939       0.91105276       0.35028748 
O       7.38316546       1.89080280       6.71010758      -0.35057688      -0.78642119       0.14425825 
O       1.33097498       3.31478075       9.10892577       1.89982818       2.78432132       0.62417217 
O       7.33173986       9.25020755       6.84411939      -1.49543400       0.24925069       1.01091156 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015320009018571246 0.0014487876491675244 -0.004042919379740833 0.0014487876491675244 -0.012406359843195635 -0.0007604516469549024 -0.004042919379740833 -0.0007604516469549024 -0.020518389291927935" pbc="T T T" energy=-1063.53269162 free_energy=-1063.53281697 config_type=crystal 
Hf       1.70854755       1.54835144       2.37111860       1.39522624      -0.04222724       1.05117714 
Hf       3.47915800       7.33078461       0.07374315       1.05567615      -5.22921794      -0.66524461 
Hf       5.50027607       5.27521244       2.30922795       1.23239192       0.22067837       1.79832432 
Hf       9.20846136       5.57780105       7.47760205      -1.16843241      -1.22658246       1.09204754 
Hf       0.50212137       7.23113146       5.05361895      -0.09505661       0.94411573       1.30072523 
Hf      10.93066272      10.63208630       0.00612347      -0.82195817       3.61324536       1.69747924 
Hf       7.06063901       3.40263691       5.03254590       1.06475876      -0.01769075       0.01610875 
Hf       7.14459385       6.96391999       5.25905435      -2.73449894       2.79297636      -0.20300346 
Hf       1.86888730       5.16898065       2.35160269      -0.03396009       0.29223085      -1.26575325 
Hf      10.86735818       3.72222223       5.01594999      -1.60024449      -1.69852792      -0.16630916 
Hf      10.93367321       3.74377794      10.36186708       0.28267234       0.34166145       0.39529402 
Hf       1.85832440       5.15601302       7.69173537      -2.62208459       3.11161108       3.09715392 
Hf       8.85033273       9.04157179       7.68742903      -0.33887348       0.13277505       0.82012563 
Hf       1.38696507       1.54353190       8.14357937       2.20317051       0.67581068      -1.72601975 
Hf       6.93483269       7.33060734      10.40521565      -0.49901462      -2.11910067      -0.98603964 
Hf       9.24779964       8.88369495       2.32152995      -4.15286139       2.32355862       1.93603846 
Hf       5.47708419       9.09760975       2.59403466       0.23822989       0.87220977       1.77980714 
Hf       5.21838849       9.19038670       8.09774659       0.67229543       0.34621788      -0.68882629 
Hf      10.63537496       0.00007023       5.16776995      -0.72573445      -0.18002822      -0.14532906 
Hf       3.55673459       3.63541828       5.17611435      -0.87445040      -1.89159188       2.53065409 
Hf      10.82132633       7.10490147      10.56411102       1.11295395      -0.49394476      -1.70613059 
Hf       1.47038186       9.02672630       8.01182569       2.51933056      -2.05439749      -0.94134145 
Hf       7.37772406       3.59622143       0.02083241      -1.45374985       1.39509546      -1.01665037 
Hf       8.99873405       5.53089666       2.63062244       0.40309549      -1.90700160       0.41579773 
Hf       3.75029095       7.11905476       4.91170352      -1.21261402       2.84506682      -1.21042928 
Hf       3.78469246      10.76909951      10.62014998       0.23016715       2.61411973      -0.16609657 
Hf       7.23143987       0.02026334       5.29582028       0.49084510      -2.13137687       0.73620380 
Hf       5.32132153       1.74237924       2.69634739       0.27355928       1.04046047      -3.07251731 
Hf       5.42111809       1.83483167       7.56382631      -1.77523820       0.75507865       3.13076846 
Hf       1.90216253       9.17629016       2.90604587       0.99302663      -0.16384106      -0.91681824 
Hf       3.48757692       0.16253609       5.62078271      -0.26509213      -1.37687265      -2.58498584 
Hf       3.82325265       3.45478999      10.43393574       0.14512097       1.83912625       0.78695316 
Hf       7.24849278      10.79810936       0.08141825      -0.92902028       1.93844522      -0.45116385 
Hf       9.01532702       1.64053906       2.50880347       0.23776554      -0.35706684      -0.16490763 
Hf       5.27913206       5.37585294       7.89513064       3.01668981       1.21822176       2.61227532 
Hf       8.89376647       1.94806335       8.17359715      -1.29089312      -1.01422617      -0.75294721 
O       0.03051608       8.82126109       1.51770577       1.16606408       0.48936278       0.24175433 
O       5.47494810       7.12915827       3.37335379      -0.40709340       0.08056435       0.94461814 
O      10.92008875       5.35075077       3.65627067      -0.03224362       1.31339590       2.12678248 
O      10.60458915       1.79705242       4.32346437      -0.18689764       0.35912835      -0.33450450 
O       1.81549181      10.93552389       3.66852144      -0.51521812       2.19947100       1.58355014 
O       2.07804161      10.93914836       1.10401924      -0.80955004      -1.85987513      -1.04579569 
O       1.61456282       3.73735422       0.85629977       0.52554100      -0.98536327      -1.98960027 
O       0.01413675       1.50668073       9.73732819      -0.45999265       3.04266746      -0.30495863 
O       1.56073687      10.70816378       9.03077966       0.56244826       0.94970840       0.95029000 
O       1.10844240       0.24002712       6.49070960       2.80944300      -0.45809943       0.28829805 
O      10.60919505       2.02583222       7.13872402      -0.61521066       1.53811752       1.67259516 
O       1.57408687       3.39000979       3.14258821      -0.42261820       0.87512020       2.43952755 
O       1.80009874       6.97459935       0.95094793      -2.86579339      -1.21500902       0.39531387 
O       1.78360317       7.15798800       8.77089966      -0.10541252       0.37645663       0.57379941 
O      10.81357474       0.85629795       1.83071239       1.74811685       1.36212895       0.08996443 
O       3.55667192       5.11182912       7.03623484       1.58755833      -1.10030370      -3.50703020 
O       3.37948053       1.61133639       7.08478270      -0.15366119       0.15072197       0.15681719 
O       5.67022762       3.54963543       8.78450021      -1.90136308      -2.68642753      -1.09570558 
O      10.79317346       5.24758009       1.13543623      -2.01323123       1.69879450       0.75434964 
O       2.15116415       7.30326927       6.30920444      -2.67269253      -0.71905816      -1.95497008 
O      10.81364223       8.98323021       6.87340707      -1.25168040      -0.84679206      -0.50513931 
O       3.56708691       1.89965153       4.44757027      -0.30965564      -1.08314909      -1.11157594 
O       4.73313804       0.11539889       3.39034095      -0.94994342      -4.34340047       1.96024458 
O       5.41474937      10.73281510       1.24486604      -0.72916259       0.26709593      -2.83326556 
O       3.65766312       2.13390669       1.58909130      -1.69028435      -0.47906729       0.02340918 
O       3.45195414       1.68239799       9.72328155      -1.25246384      -0.85972878      -0.09304751 
O       5.13106391       0.16187238       9.11902545       1.62745381      -1.00172691      -1.76106202 
O       0.13645227       8.97869169       9.76356748      -0.21181225      -3.25616299      -2.15413458 
O       3.58246146       5.25266368       4.24294002      -1.41425092       1.95097877      -3.20371195 
O       5.46108492       3.64606324       3.41427161      -0.23541337      -0.40746598       1.59613175 
O       5.61267893       3.55874030       0.84408343      -1.22994095      -0.59219318       0.33623426 
O       8.75950814       7.21270971       6.41854401       4.11886970       2.31351125      -2.30136529 
O       3.88932182       5.46137383       9.57040389      -1.77074601       0.20351636       0.30894222 
O       5.30744466       3.41834267       6.13232279       0.35254953       0.20831537       0.61145088 
O      10.85837810       5.57041671       9.03685754      -0.88624742      -1.51861998       2.10451432 
O       8.92180463       0.20432754       6.35696617       1.93466470      -1.32451347       1.26280586 
O       1.62845974       3.44608370       5.89527770       2.29928323      -0.02632079       0.27966759 
O       7.22388724       1.80024281       1.67739225      -1.18408094      -0.68771177       0.81095419 
O       8.84083343      10.94370682       1.16527502       2.87886501      -1.47711421      -0.14410382 
O       6.70026768       9.36256550       4.46146844      -1.01077965      -2.75200893      -2.49729067 
O       6.59821342       1.49504962       4.25012884       2.24029390       2.43165533       0.38585033 
O       3.49226576       9.49855454       7.04276732      -0.70883072       0.34761859       1.65363011 
O       8.92232022       7.38786186       8.82696827      -0.09967589      -0.13958176       0.75099536 
O       7.37401392       1.83710865       9.88021225       0.86466532      -2.64462280      -2.99266571 
O       6.69811428       9.14349052       9.71058074       0.15719227       0.59504068      -1.49977447 
O       5.43064784       7.30923438       8.68836823      -0.04677750       1.03685518       0.00990630 
O       8.58922068       7.26155474       3.59287984       1.51862595       0.09595769      -1.04357083 
O       5.15107482       6.94578299       6.06216767       2.43998245       0.29816605       1.90792487 
O       7.33430368       9.22933561       1.47463408      -0.34102032      -2.25253703       1.96127970 
O       8.91324514       7.37031550       0.75052219       1.09457896      -0.77987557       1.56916758 
O       6.23964151       5.39613995       9.85177234       4.32904164       2.61645930       1.49088152 
O       3.58015194       8.93176298       9.77892340       0.19932793       3.91823319      -1.81765862 
O       8.92448764      10.65740660       9.24411634       0.55889163      -0.14782628      -1.58119702 
O       7.14064465       5.89028272       6.91330249      -0.99550668      -3.11649039       2.37743752 
O       5.43890023       0.27096511       6.21960208      -1.44306485      -0.25519579       0.64055345 
O       0.16961893       4.95995595       6.65758512      -2.90626075       3.30714445      -1.30912572 
O       0.12079132       9.08739033       4.18602268      -0.33702852      -1.77902659       0.49512177 
O       1.86721782       7.22029751       3.64919239      -0.99572915      -1.42207633      -0.19828646 
O       3.43518971       9.14099124       4.57036456      -0.59239411      -0.55984360      -1.02876754 
O       3.82550236       5.09384670       1.47121729      -4.19913590       0.73249828       0.12390696 
O       5.28169554       7.53987746       0.91249062       2.64312603      -0.90503401      -0.28526033 
O       8.95831583      10.64570822       3.83123081       0.11439493       0.22866972      -1.14635568 
O       8.53697546       3.99417600       8.72761252       1.49449486      -1.43331036       0.66263386 
O       7.38889545       5.14852372       1.63343081       0.98928463       0.82619882      -0.95753174 
O       9.25016417       2.98888554       0.81813688       2.05467774       1.47672131      -0.52001114 
O       8.59638820       3.48647770       3.50143483       1.32488233       0.65646576      -1.11164370 
O       6.93733208       5.27217050       4.40602003       0.70456060       0.40417810      -1.65151271 
O       3.54476844       8.48793651       2.02023766      -0.54350739       1.57409157      -0.84388330 
O       8.85138658       4.01119111       5.91835741       1.62495850       0.65961287       0.75541247 
O       7.27644865       2.00834250       6.83128710       1.41348032      -0.01732519       0.51350823 
O       2.09869214       3.70111034       8.91669010      -2.42375540      -2.54856446       0.29900706 
O       6.98862949       9.26122534       6.90913720       0.58321712      -0.11862051       1.40378837 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01262333653945177 0.0005456665630056859 -0.004072046811382357 0.0005456665630056859 -0.01654720277765771 -0.0015961383200830189 -0.004072046811382357 -0.0015961383200830189 -0.024714276856835287" pbc="T T T" energy=-1063.86670298 free_energy=-1063.8667725 config_type=crystal 
Hf       1.73745660       1.54140106       2.37083374       1.37980642       1.31939468       0.19256848 
Hf       3.47344105       7.34606275       0.10032022       1.12173418      -4.64515301      -0.64863914 
Hf       5.52127193       5.26871893       2.32389692       0.24439253      -0.25807354       1.28748374 
Hf       9.21280048       5.57857685       7.45855318      -2.46763924      -1.15428492       1.81045745 
Hf       0.51231406       7.25231456       5.06136824      -1.47542658      -0.12563931       0.91837764 
Hf      10.93108365      10.61995406       0.01893174      -1.26381207       4.03143980       1.86866946 
Hf       7.05495230       3.38967092       5.03436697       0.55610899       1.34778125      -0.19512376 
Hf       7.15776669       6.98509695       5.25153083      -2.23125127       4.65906427       1.87089264 
Hf       1.86417184       5.14134918       2.35883147      -0.32107120      -0.15123271      -1.95316896 
Hf      10.84598007       3.72693309       5.02767165      -1.65731615      -1.50838629      -0.81108280 
Hf      10.92527434       3.72734350      10.32519193       0.07304556       0.28427223       1.10899890 
Hf       1.83093582       5.19611384       7.70173662      -0.87043062       1.69305423       3.00973709 
Hf       8.86111935       9.04517215       7.68260931       0.31269839      -0.58331355       2.42920744 
Hf       1.40826879       1.52946330       8.15618834       1.78009325       1.50709690      -1.51949360 
Hf       6.92279149       7.35025736      10.38393012       1.63882399      -4.05585852      -0.03193227 
Hf       9.24696786       8.91238181       2.34243528      -4.19519071       1.27093678       1.27465882 
Hf       5.46896820       9.10254269       2.62172384       1.18906289       0.90013812       0.94113045 
Hf       5.20469896       9.18956708       8.11247211       2.43615368      -0.81053727      -0.14301031 
Hf      10.64682080      10.95109029       5.15446404      -1.11665596      -0.53470897       0.46637493 
Hf       3.55677457       3.64946924       5.20638574      -0.55949178      -1.19168512       1.37759235 
Hf      10.82853012       7.10060124      10.56289995      -1.17125711      -1.27141052      -1.56553455 
Hf       1.48141499       9.02636464       8.01574726       1.30001885      -1.23596318      -0.63655066 
Hf       7.37013363       3.60185742      10.62104515      -1.23927611       2.16156082      -0.10420346 
Hf       9.00365176       5.50787931       2.62166358       0.50827731      -0.39473167       0.09142413 
Hf       3.73204417       7.14814382       4.91999510       1.02897725       1.02460694      -0.56585918 
Hf       3.77048669      10.75882936      10.62723771       0.60149229       2.74308426      -0.63742919 
Hf       7.23649442       0.01785171       5.31121032      -1.26220686      -1.94786572      -1.55579575 
Hf       5.31984554       1.71920161       2.69630562       0.57213164       1.55312253      -3.83981785 
Hf       5.42658448       1.83114344       7.55240800      -1.55814914       1.42438223       3.37057877 
Hf       1.89485422       9.17109307       2.89818041       1.10736765       0.67174816      -1.05019642 
Hf       3.46523051       0.14958665       5.63149706       0.03215943      -0.34787369      -2.72353620 
Hf       3.82889806       3.43827032      10.44266927      -0.16905307       2.51135715       0.64656604 
Hf       7.24330621      10.78764956       0.06624195      -0.74054350       1.96554968      -0.61550969 
Hf       9.01985206       1.64868024       2.50992951      -0.91661616      -0.13928272      -0.74850097 
Hf       5.26981464       5.39260368       7.91068395       3.42691604       0.60817502       2.25416622 
Hf       8.91966284       1.94214558       8.15106304      -4.36522930      -0.98948279       1.70501582 
O       0.07377661       8.78618458       1.57882263       1.08996167       0.85146740       0.34443961 
O       5.47579313       7.16300552       3.29521629      -0.69859582      -0.48874368       2.04637623 
O      10.89627424       5.36363207       3.68184213       0.49046218       1.16370270       1.99531449 
O      10.53022453       1.78549516       4.33697308      -0.18400619       0.27914923       0.18718784 
O       1.85015966       0.05563588       3.63102020      -0.81782019      -0.31225760       2.39250628 
O       2.08981887       0.02375546       1.09419805      -1.21537497      -2.59733074      -1.26100035 
O       1.59828023       3.75252148       0.81158782       0.95473417      -1.11464562      -0.99117905 
O      10.94493751       1.45777622       9.73496324      -0.05904388       3.20793235      -0.55282176 
O       1.58169011      10.73582548       9.04198093       0.50254716      -0.52107317       0.76047415 
O       1.24555214       0.20614273       6.50712811       0.76980626      -0.45422426      -0.68707849 
O      10.50660099       2.11264274       7.22937972       3.53674345       0.75870496      -0.77110446 
O       1.51070947       3.35967537       3.14096537      -0.40867582       1.37151681       2.06419972 
O       1.69426093       6.90876760       0.84274322       0.33046281      -0.47754272       0.96016138 
O       1.80494611       7.18637774       8.80582368      -0.68954024      -0.01638201      -0.50329051 
O      10.78621290       0.93669155       1.85098221       2.28669999       0.28064535      -0.34893747 
O       3.57048141       5.14947448       7.00368417      -0.96931708      -1.11138267      -2.93830410 
O       3.32309076       1.62444601       7.04207729       0.62150482       0.21784842       0.59573168 
O       5.62184899       3.53650477       8.71462516      -1.88286474      -2.46887266      -0.23506869 
O      10.82301421       5.32776486       1.07233037      -2.35342806      -0.00034754       1.71968980 
O       2.15941905       7.23741681       6.24611038      -2.78702281      -0.05885701      -0.63230770 
O      10.70496441       9.00579574       6.81268178       1.85145879      -0.55526772       0.31056798 
O       3.60021577       1.94257385       4.39798918      -0.34017229      -1.89128501      -0.52546292 
O       4.74112990       0.06691969       3.30924328      -1.37329835      -4.50607333       3.05492754 
O       5.37310550      10.68179531       1.23933725       0.28302292       0.04331536      -3.66963290 
O       3.72292527       2.02923121       1.58077740      -3.08024201       0.07080202      -0.50870233 
O       3.45589600       1.67291776       9.76208962      -1.20309638      -1.88503460      -0.94140692 
O       5.19824741       0.11771455       9.07004850       0.84683916      -0.54069831      -0.89640026 
O       0.15745624       8.95329984       9.83781710       0.51404711      -2.11514280      -3.16891364 
O       3.67817516       5.23915306       4.17309431      -1.69925362       2.34053246      -2.18948185 
O       5.42587486       3.59436746       3.42653121       0.70518654       1.33992267       1.48483633 
O       5.56018906       3.56326118       0.81476610       0.06448715      -0.21642608       0.37723714 
O       8.78398856       7.24860047       6.41096181       3.45963093       1.31969018      -1.80881915 
O       3.80871755       5.38289031       9.52157406      -1.02964717       1.12029195       0.72975276 
O       5.28431205       3.48070005       6.15901710       1.23008401      -0.39088537       0.16867542 
O      10.81952220       5.41454230       9.07987161      -0.28450104      -0.42274895       0.82394622 
O       8.87031997       0.13891310       6.28477517       3.98828559      -0.44128840       2.36110764 
O       1.63156358       3.44108502       5.83429190       1.42480451       0.15111376       0.81737866 
O       7.21781072       1.84423487       1.63074295      -1.28000260      -1.09960262       0.88936503 
O       8.78067086      10.88521460       1.20360224       4.22458330       0.04447052       0.19223095 
O       6.65048428       9.34940515       4.42543060      -0.65218628      -2.00095332      -1.38431671 
O       6.58658571       1.54647588       4.17322654       3.95239431       0.66896403       2.99216417 
O       3.58114379       9.51129309       7.08765699      -2.21525598       0.47015927       0.30307158 
O       8.97026017       7.39059736       8.92019076       0.30192099      -0.05747117      -0.67404827 
O       7.39965720       1.91605847       9.82587871       0.35317726      -4.81976879      -2.85290302 
O       6.78561109       9.09630654       9.73238645      -0.82627588       2.79739653      -2.90569899 
O       5.49139174       7.26708938       8.66857523      -0.70878255       2.45577572       0.57807659 
O       8.64057824       7.31342428       3.58221279       1.22565117      -0.38308031      -0.65800139 
O       5.13804814       6.99404921       6.15822524       1.30405148       0.67445441      -0.12983897 
O       7.45670871       9.16716304       1.36673220      -2.31931288      -2.00636773       2.69319175 
O       8.86960093       7.31293235       0.76903207       2.38482687      -0.71177316       1.74038411 
O       6.32773991       5.41132639       9.82422101       3.10185561       1.36994204       1.14225097 
O       3.51616769       8.92704861       9.68443903       0.51618917       2.90679407      -0.72489248 
O       8.96950892      10.65430660       9.21113253       0.36206132      -0.00154095      -1.05396963 
O       7.14805562       5.83224046       6.94767242      -0.56683789      -1.86117178       1.18456296 
O       5.46060111       0.33039330       6.17542849      -2.10818322      -0.62170775       0.60157497 
O       0.11883787       4.99038449       6.59545978      -1.08772853       3.59088636      -0.21208836 
O       0.08771713       9.03564021       4.23636003       0.37669120      -0.08685236      -0.18845187 
O       1.86158447       7.27410878       3.63411877      -0.51705913      -1.91197940      -0.32749886 
O       3.43792202       9.14675169       4.58260587      -0.82339707      -0.40663832      -1.14307176 
O       3.79712347       5.02636739       1.48267652      -3.34243119       1.33783025       0.42900915 
O       5.36536564       7.49618471       0.93020310       0.12405054      -0.78054807      -0.53140775 
O       8.87223990      10.61626989       3.85110226       1.25357393       0.26452655      -1.15782679 
O       8.46249460       3.91995162       8.71960463       2.34623242      -0.32224782       0.23888454 
O       7.40757839       5.20004179       1.62105292      -0.11601377       0.16662112      -0.87916864 
O       9.25384801       2.92129984       0.83129324       2.14306491       2.19492050      -0.91244863 
O       8.55849238       3.52081107       3.40907371       1.24109253       0.62313515       0.28830212 
O       7.00631708       5.39728890       4.41526162       0.07068083      -4.01733590      -2.93801156 
O       3.57347316       8.48498343       1.93009258      -2.09786833       1.71118996      -0.21488273 
O       8.82269019       4.07564318       5.96487235       1.59598313      -0.09638446      -0.44801728 
O       7.29500089       2.07110197       6.85599464       0.85184584      -0.48524487      -0.54686768 
O       2.07768740       3.68920566       8.93928023      -2.71612955      -2.20225940      -0.97829914 
O       7.08884348       9.27534807       7.00543402      -1.94096537       0.41790407      -0.18375130 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00465497658196761 0.0006054909473810742 0.0042479957587956835 0.0006054909473810742 0.008117276373378971 -0.0028949349589710354 0.0042479957587956835 -0.0028949349589710354 0.0037158912086903925" pbc="T T T" energy=-1064.03927919 free_energy=-1064.03928686 config_type=crystal 
Hf       1.94712289       1.87833093       2.80529475       0.08527097       0.37898411      -2.27370906 
Hf       3.47847741       7.01755410       0.07648788      -0.04233560       0.40759500      -2.01052294 
Hf       5.54188192       5.47263364       2.49581292      -1.94625757       1.23660300      -1.07418295 
Hf       8.48481624       5.60646874       7.85196425       3.89953443      -0.66386872      -1.14320124 
Hf      10.60609308       7.14403356       5.37682761       1.51108826       0.69791499      -0.46177039 
Hf      10.83743154      10.76353682       0.04287515       1.29607167       1.65382893      -0.64679116 
Hf       7.19604619       3.67448146       4.93680008       1.34375882      -0.62398616       2.48591404 
Hf       6.96057468       7.32230565       5.13729406       0.30787843       0.77828675       1.03351123 
Hf       1.39720159       5.33105254       2.44604284       0.62331632      -1.89363366      -0.55976216 
Hf      10.86115018       3.31365042       5.06214841      -2.02283277       3.69223696      -0.43018125 
Hf      10.51628006       3.36319082      10.45126080       2.88852918       2.58364400      -0.51699142 
Hf       1.55575956       5.38504601       7.84003564      -2.41944228       0.05843234       2.02818317 
Hf       9.30834546       8.97451909       8.00911742       0.64952417      -1.86272986      -1.86406084 
Hf       2.15884770       1.93549857       7.99272548      -1.45797188      -1.00387459       0.82685624 
Hf       7.38837011       7.25208656       0.14431695       1.80715537       1.00395947      -1.04106442 
Hf       8.82913155       9.19835784       2.69587292       4.42903010      -1.57610523       1.84646720 
Hf       5.35697926       8.89643185       2.23153952       0.66982221       1.79208017       1.15133374 
Hf       5.54566951       9.14897093       7.71751389      -5.07794646      -1.85398555       1.02125399 
Hf      10.80479876       0.14663138       5.13302800       1.63873882      -3.49526319      -0.36277801 
Hf       3.41644684       3.79073031       5.39553900       1.66225402      -0.68920809      -0.14974041 
Hf       0.04361814       7.16093253      10.44383538      -1.28872117      -1.60761714       0.07349378 
Hf       1.89474061       8.97926973       8.07633904       0.64900607       0.49986948       0.01889850 
Hf       7.22794414       3.36739310      10.15605372      -1.45480446      -0.34985069       0.29811911 
Hf       8.97809349       5.46576171       2.63624827       3.55949415       0.88432011      -0.93812175 
Hf       3.22676397       7.13522801       5.16707513      -0.39879818       0.79828970       2.78676490 
Hf       3.65373857      10.94567112      10.36854465      -1.98588323       0.10774038      -0.74267574 
Hf       7.23099057       0.03288213       5.34796785       1.60432139      -1.71123949      -1.75336288 
Hf       5.69130697       1.67434446       2.62222298      -2.31458894      -0.25727451      -0.64478170 
Hf       5.62706679       1.64599361       7.70216848      -1.71291053       2.70179850      -0.06287120 
Hf       1.87424500       8.88926235       2.66940777      -1.39517815       1.60519115       1.22814688 
Hf       3.59164533      10.89469680       5.12094485      -1.42130189       0.41918110       1.94116294 
Hf       3.56506049       3.51578708       0.11163469      -2.55912220      -0.44385536      -1.54273942 
Hf       7.10719861      10.93200548      10.53455581       5.78085847       1.83294312      -3.25272497 
Hf       9.08741531       1.69032477       2.41871473       1.23832957       0.61877270      -0.55137778 
Hf       5.33788492       5.56362015       8.03277789      -3.57818665      -0.14923376      -0.27875393 
Hf       9.17678044       1.43497733       7.74610515      -1.44487422       0.57896425       2.47739381 
O       0.26518439       8.48890940       1.80986775      -2.16260568       1.74118310      -1.31777267 
O       5.72220376       7.37992775       3.39072604      -0.67901293      -3.16471826       1.73447551 
O       0.12566915       5.28056784       4.32082572      -2.81969875      -0.41978331       0.75713714 
O      10.76111073       1.67874044       3.72251761       1.96612818       2.23872245       2.97180705 
O       1.49839679      10.93842548       3.43291275       1.96745727      -1.10386368      -0.43239539 
O       1.78340727      10.41872587       0.54683452      -0.70702762       0.29054291       1.10456760 
O       1.84740477       3.43372642       1.33298810       1.50839120       0.10536830      -0.37180359 
O      10.74532028       1.71624316       9.32239818      -1.14509870      -1.88963934      -0.20497692 
O       1.96829897       0.15200486       8.77316204      -0.08888638      -2.17185385       0.62882572 
O       1.76965607       0.61365465       5.99602181      -1.48329651      -0.74293241      -1.74208632 
O      10.63538153       1.98285260       6.63384960       0.22797620      -0.82896531      -1.32765326 
O       1.73660050       3.79246531       3.76705982       1.75469697      -3.81169303       2.67380918 
O       1.61306930       6.62802952       0.91713825       1.31712524       0.92983247      -0.84885692 
O       1.80663848       7.03881422       8.98718152       0.83935293       1.76969289       2.03817366 
O      10.94549911       1.64343287       1.34530360      -0.40895004      -0.42299403      -1.07885252 
O       3.50789613       5.10820454       6.99399945       0.09077271       1.35534918      -0.72351854 
O       3.65191221       1.48813595       6.86321864       3.90998115       1.58697347      -1.24731818 
O       5.89529520       3.57566129       8.64865861      -0.51284850      -0.43212306      -1.41559182 
O      10.73490858       4.90591942       1.38090193      -1.81057799       0.43887915       1.23579818 
O       1.70239138       7.50662107       6.70550564       1.63266711      -3.42581251      -4.07293646 
O       0.11139020       9.19441314       6.93931367      -1.21896619       0.75071171       1.48201494 
O       3.82912540       1.92912952       3.98709893      -1.12998380      -0.16384167       0.45643388 
O       5.10755354      10.56293126       3.54408795       0.17440846       1.02527209      -1.18586797 
O       5.57123567      10.43120935       0.67713490      -5.68116671      -1.14695656       3.30005062 
O       3.51524115       1.43304316       1.35388588       0.84007489       0.02231569       0.61924296 
O       3.95681319       1.84225326       9.35161688      -0.56632718       0.82074104       0.59324767 
O       5.43398460      10.91608740       8.68372825       0.76509003      -0.94865750       1.70359790 
O      10.89684932       8.98426489       9.52021365       1.03367130       1.20602081       0.68709720 
O       3.99757181       5.47738778       4.33532474       0.11898205      -1.33159187      -0.03320049 
O       5.93989937       3.54860951       3.25844197       0.07125753       0.84822658      -0.84470864 
O       5.45730346       3.40450590       0.60094357       0.17699068       1.29183722       1.44426797 
O       8.78965182       7.38321827       6.40220086      -0.27728929      -1.40289712      -0.36508934 
O       3.88226704       5.30729018       9.68954723       0.01329084      -1.28473208       0.48858252 
O       5.42207017       3.54615306       5.83525786      -1.36823686      -1.28985570      -0.03914437 
O      10.91914369       5.29277984       9.44999720       0.41719841      -1.07721790       0.71306096 
O       8.95950181      10.76488562       6.38215488       1.01428799       0.96924578      -0.14045901 
O       1.74342039       3.55922795       6.82378845      -1.03199458       0.08706667      -4.43263343 
O       7.04115913       1.68968439       1.11502217      -0.21907524      -0.69447535       1.72322300 
O       8.93262719      10.89784468       1.24849180       0.15494552      -2.16519657      -2.12712708 
O       7.27436658       9.09906920       3.99383761       0.53992477       1.19410780       3.15505877 
O       7.41485964       1.46159066       3.79825742      -2.64310469       1.19557618       0.72178981 
O       3.55774078       9.33789927       6.93987052      -0.00101769       1.13127883       0.38146277 
O       9.32069703       7.18826940       9.07280535      -2.51591311      -0.43677254      -1.43652511 
O       7.35663792       1.53695775       9.22386618      -0.00731007       0.92211540      -0.92318867 
O       7.47933471       9.15471549       9.94502045      -0.88617834      -3.41934390      -1.37592895 
O       4.95578686       7.41844028       8.61739075       0.85420944       0.35667172       0.34299467 
O       9.37123553       7.22756583       3.79603553      -1.83752887      -0.29146101      -2.10065617 
O       5.09336628       7.37976713       6.15213301       1.60282906       0.13168454      -1.89603483 
O       7.25958858       8.51572323       1.76520703      -0.20587539       0.49419346      -1.61975396 
O       9.33712051       7.25611235       0.98393227      -1.78443829      -0.39503439       0.64986133 
O       6.84674568       5.96991640       9.27995712       3.02957605      -1.51142851      -0.04123343 
O       3.65960858       9.04444171       9.76892290      -1.33559073       0.02777485      -0.26548903 
O       9.00394910      10.58120214       8.96809205       1.27994900       4.08513634       0.55911377 
O       6.79611461       5.34190391       6.71540422       2.24668908       1.36361566      -1.28410414 
O       5.42052658      10.86487117       6.14072799       1.13536499       0.51054559      -0.07575718 
O      10.69721643       5.79521301       6.93881241       0.55920778      -0.55132712       0.32268072 
O      10.69974738       9.19455874       4.47502286       0.44966772      -0.45582870      -0.01919947 
O       1.50747362       6.82689439       3.69584732       3.13477447       4.95896732       1.48692371 
O       3.07740685       8.96963118       4.53431641       0.07924021       0.41183875      -1.94724632 
O       3.56381380       5.68395626       1.81621805       1.39512796      -2.08408423       0.21258230 
O       5.37835825       6.97815950       0.87416924       1.87202994       0.55472994      -0.10490341 
O       9.20253252       0.04023317       3.63197575      -0.66543918      -1.51820941       0.86339401 
O       8.92341637       3.68368647       8.60723283      -0.94868693      -0.03792760       1.37619887 
O       7.50074131       5.53616540       1.26731916      -1.58483791      -1.50063805       1.86320791 
O       8.78316675       3.22641228       0.76496084       1.38684402      -0.07865656      -0.08412770 
O       9.30772075       3.52609964       3.34415029      -1.53472184       0.66961355       0.31182807 
O       7.58830561       5.51625627       4.09354805      -2.99838538       0.36483747       0.43807023 
O       3.55847823       8.50083622       1.61514798      -1.48913815       0.58248429       1.01613913 
O       9.00166697       4.02091237       5.89176407       0.00639575      -0.68892257      -0.36224228 
O       7.37307302       1.83675160       6.45811865      -0.14810537      -0.72418743       0.62749876 
O       1.84800111       3.50134521       9.25397283       0.72991557       0.52400021       0.76354451 
O       7.23906733       9.03495392       6.86132391       0.54643637       0.47907038      -0.90110584 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013199403951756878 -0.0010988271562226007 -0.003116862351609219 -0.0010988271562226007 0.004032392668901938 0.002249138205624727 -0.003116862351609219 0.002249138205624727 0.0024876841655633777" pbc="T T T" energy=-1061.30236201 free_energy=-1061.30236795 config_type=crystal 
Hf       1.91568311       1.87647466       2.81990484       1.07226121      -1.83819833      -1.74204286 
Hf       3.48664653       7.03152925       0.03852811       2.23876655       1.02978811      -2.94542708 
Hf       5.49371551       5.54473223       2.44777845       4.83328197      -1.52659367       2.42819992 
Hf       8.55456104       5.55536634       7.89497365       1.70465426      -1.77611294      -1.66523952 
Hf      10.53683494       7.10849493       5.41726989      -0.39872141       1.28894270      -0.46925344 
Hf      10.86527019      10.76810602       0.01696197      -0.94865219       2.03011502       0.31814853 
Hf       7.14880479       3.68427952       4.97152173      -1.47478818       0.01888976       1.65602001 
Hf       6.91555506       7.30636040       5.13004986      -0.39945178      -0.33020255       2.31047954 
Hf       1.40801910       5.44611344       2.46103250       1.08760089      -3.32840187       0.71369869 
Hf      10.90578876       3.36629531       5.07690433      -2.18079835       3.35726548       1.99150079 
Hf      10.45404462       3.42652088      10.50416856       5.49190925      -0.09121155      -2.41473999 
Hf       1.53026582       5.29315026       7.86138931      -1.52515250       0.12700650       0.50291272 
Hf       9.31509797       8.91970371       7.99511307      -2.76915995       1.33014788       0.70518920 
Hf       2.18737219       1.93911975       7.95816391      -0.83632221      -1.07764332      -1.05721471 
Hf       7.39565278       7.28722344       0.17489988       1.76248717       0.39157615      -0.62225362 
Hf       8.91016136       9.22319652       2.74265646       2.51425682      -5.74350776      -1.54969526 
Hf       5.33264971       8.92004696       2.18744257      -2.39325068      -0.86847007       2.78596805 
Hf       5.56321237       9.11515513       7.67197691      -3.73840325      -1.20120724       0.89230196 
Hf      10.83283046       0.09281857       5.14684315       2.86161496      -2.01155663      -0.84962050 
Hf       3.46430506       3.74946377       5.32432757       0.55025906      -1.11627585       0.05593771 
Hf       0.11720926       7.16613915      10.50207125      -5.15583358       0.23870606      -1.33433464 
Hf       1.91022670       8.98878381       8.12384971       1.68154027       0.26532039      -1.38165753 
Hf       7.21656349       3.27405839      10.18549243      -2.83433152       0.16257424      -0.25372158 
Hf       8.89706587       5.43377085       2.65515045       2.17485754       2.27791114       0.77977675 
Hf       3.17975177       7.16420027       5.18938009       2.37514661       0.54940500       1.37015101 
Hf       3.66278045       0.00680543      10.34859826      -1.61557572       0.38239352       1.45312346 
Hf       7.22925306       0.06159781       5.28325722       3.00655461      -3.55782158       1.37784916 
Hf       5.65781940       1.71982380       2.59418442      -4.25293643       0.25618640       0.94900048 
Hf       5.66837266       1.67793024       7.71040415      -0.78682476       0.22778093      -2.71480331 
Hf       1.85896467       8.83427988       2.63341457      -2.12366100       3.48433015       1.14491996 
Hf       3.71738318      10.86815633       5.11889951      -3.21092008      -0.26411692       1.54859246 
Hf       3.54596484       3.50031338       0.11480436      -1.08995028       0.26597949       0.21915288 
Hf       7.15586056      10.89375502      10.52196905       2.12716199      -1.09946070      -1.01035534 
Hf       9.13579886       1.69398615       2.36579485       1.04820561       0.03305827       1.15818897 
Hf       5.25547411       5.55535769       7.95740191       0.56129346      -0.49444520      -0.04637582 
Hf       9.11690239       1.52468341       7.74905799       1.61205420      -0.34856984       0.98899811 
O       0.06637824       8.66651635       1.83691080      -0.67863761       1.38016741      -2.07168883 
O       5.58026002       7.24419167       3.62489290      -1.18312918       1.65908473      -2.47020314 
O      10.77960413       5.43201285       4.41795480       1.66379656      -0.85442073      -2.28516746 
O       0.12748182       1.78399714       3.95098435      -2.23033722      -1.22127731      -0.64858863 
O       1.57581485      10.93068244       3.37871208       1.35631175      -0.41829107      -0.84550270 
O       1.76463318      10.70139845       0.56979390      -0.16250849      -0.61382611      -0.44464472 
O       1.76531070       3.66697462       1.34883232       3.41734592      -1.17064877       0.44079083 
O      10.73618977       1.58366887       9.40384863       0.18945155       0.77642832      -0.46371266 
O       2.33277573       0.03041977       8.61964442      -1.68290905       1.09272465      -0.66616040 
O       1.75243597       0.66404951       5.82142985       0.24965876      -1.02324817       0.74331585 
O      10.70376670       1.95458951       6.53620459      -1.61136491      -0.66928994       0.77503108 
O       1.69787805       3.56048855       3.99944515       1.40467935       1.75020990      -0.56397376 
O       1.65438963       6.78372206       0.87035258       1.36935262      -1.35197232       2.60330236 
O       1.74926750       7.17469108       9.09791391       0.12193856      -0.88184445      -0.08817058 
O      10.94292577       1.61693304       1.34233885      -1.30848974       0.94693348       0.60868122 
O       3.51148937       5.30835697       6.99217296      -1.84090912      -0.81201777      -1.18694482 
O       3.82835256       1.73786559       6.71091666      -0.91271637       0.20569578       1.44860749 
O       5.85670334       3.27529050       8.65831761      -0.20882521       4.49756154       0.77811775 
O      10.79105391       4.83355077       1.50253510      -2.93431869       2.01661357       0.85460515 
O       1.68865683       7.25382331       6.56319588       0.24136610      -1.17837098      -0.83969760 
O      10.87115882       8.94272719       6.87864918       0.77608569       0.16517804       0.49961899 
O       3.84540634       1.88888123       3.86737664      -0.97260807       1.38760927       1.69023529 
O       4.95618949      10.61814764       3.60310515       2.65411631      -0.68751783      -1.54474142 
O       5.32404585      10.35399924       0.84188738       1.65370959       1.79834161      -1.82880740 
O       3.61264020       1.10548976       1.56982114       0.56064427       2.38740435      -0.58756237 
O       4.11593365       1.89008310       9.65173647      -2.21846036       1.24756518      -0.81925727 
O       5.16928917       0.05115367       8.67012866       1.73692170      -2.97210419       1.73794057 
O      10.91184918       9.01410137       9.47737644       1.48618037      -0.25315750       0.64179624 
O       4.07970007       5.33356190       4.31835373      -1.29095892       0.08619516       0.78059600 
O       6.00243797       3.60924209       3.16205331       0.61347486      -0.56297502       0.80568453 
O       5.43118775       3.71562891       0.88580194      -0.05244511      -0.52487679      -1.64218636 
O       8.49265318       7.14077612       6.52612426       3.17029678       0.26327873      -0.53412127 
O       3.73427569       5.17822094       9.60305948       0.43765477      -0.05236977       0.81046104 
O       5.31611217       3.42212271       5.86609950       1.31326592      -0.27745744       0.13709631 
O      10.85829297       5.14570353       9.52041698       0.33802370       1.67115676       0.07338371 
O       9.03765403      10.83434458       6.48229664       0.93353923       0.26464502      -0.90595581 
O       1.60572505       3.52680575       6.54292956       1.59172149       0.83231021       1.04595936 
O       7.11128652       1.66144355       1.27414978       0.84568432      -0.38521322      -2.28693670 
O       8.95178704      10.92146921       1.20189203      -0.35191248      -1.36875970      -1.32827696 
O       7.59055444       8.86100957       4.23612875      -0.56228158       3.62461572       0.20032978 
O       7.34789098       1.29875897       3.82211782      -1.67451804       2.78286343      -1.81652164 
O       3.52021353       9.35584005       6.67008737      -0.72440168      -0.02447884       1.80783900 
O       9.24795883       7.12239513       8.99194661       0.20451434       0.92145596       1.09115600 
O       7.50452628       1.55792622       9.01053120      -2.47565488      -1.89897607       3.06234265 
O       7.40965269       9.06777372       9.81635332      -1.14137468       0.30359363      -1.51404236 
O       4.88996015       7.31554558       8.64497481      -0.50447586       1.68483879       0.58551226 
O       9.32405702       7.23934780       3.67098163       0.10137542      -0.18498353       1.01239677 
O       5.11162062       7.45371608       6.19725227       1.45320571      -0.26482305      -0.57865497 
O       7.16341286       8.84265136       1.66506952       2.14118332       0.72151418       0.12357842 
O       9.21093018       7.29377228       1.32758325      -0.36446072      -1.12633858      -3.10849696 
O       6.85051904       6.07311677       9.26849948       1.92975859      -2.51912220      -0.38289207 
O       3.43618385       9.11508205       9.70060298      -0.83171349      -2.72818297      -1.45151478 
O       9.16627758      10.74543039       9.26155056      -0.54220182      -0.66237522      -2.14840920 
O       6.97844096       5.13757528       6.79352386      -3.18398879       1.39415031       0.54125544 
O       5.60470537      10.68415173       6.26447251      -2.11228369       1.89360419      -1.53529842 
O      10.69321815       5.42474803       6.80832549       0.66056522       1.08169875       1.93590388 
O       0.20522878       9.14182050       4.33507985      -1.28839090      -0.85388481       1.41305974 
O       1.92806591       7.01519002       3.57757089      -0.74699342      -1.00633296       0.13936471 
O       2.99370246       8.92186302       4.31072222       2.00936267       1.72415625       0.44905717 
O       3.84024070       5.70676851       1.87817481      -7.61494482      -0.08219416      -3.52488577 
O       5.43357550       7.23819052       0.73149618       0.34289538       0.20679142       0.86141886 
O       9.19593591      10.85839245       3.60163761       1.45656957       3.46159680       2.30662814 
O       8.75852396       3.53280318       8.80566329       0.85743076       1.43283873       0.00988384 
O       7.35937352       5.66130670       1.36761525      -0.55831043      -1.85748366       1.48527702 
O       8.77682761       3.44659830       0.71531969      -0.79682197      -0.64425922       3.18023284 
O       9.36586446       3.54582438       3.53465854      -2.15241941      -0.99260967      -2.03264501 
O       7.38349206       5.63444500       4.22802924       0.30220897      -2.31370476      -1.96634961 
O       3.44999324       8.50007149       1.43622864       0.20455137       0.87305991       1.95421634 
O       8.70506252       3.99932751       5.90491597       4.69101421      -0.92250284       1.49187998 
O       7.41814731       1.77707098       6.38621622      -0.98014969      -0.12752080       0.89856438 
O       1.72854072       3.51073264       9.46927842       1.43782547      -1.36282006      -2.96804220 
O       7.29423977       9.21399348       6.88423802       1.07548429      -0.78491484       0.79791413 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011334674513557852 -0.0027791327636379403 0.004877644049067377 -0.0027791327636379403 -0.010001667027196206 0.0014781398437941806 0.004877644049067377 0.0014781398437941806 -0.011265890168205854" pbc="T T T" energy=-1061.38039504 free_energy=-1061.38039624 config_type=crystal 
Hf       1.92304423       1.83178108       2.71129145      -0.55370778      -0.70679483      -0.70587128 
Hf       3.60466840       6.92619662      10.61006890       1.39364279       1.47847341       0.25597317 
Hf       5.37063635       5.31154560       2.47636982       2.15777795      -0.08897051       0.08523081 
Hf       9.28878330       5.58639560       7.71349995      -1.28255220      -0.94424250       1.31438789 
Hf      10.79134721       7.15711327       5.25318523       0.17171899       0.66737517      -0.09425344 
Hf      10.75281254      10.94120272      10.28602513       1.66424145      -1.06226302      -1.59068681 
Hf       7.20495791       3.56135451       5.02011847       0.20145287       3.37299882       3.25171766 
Hf       7.11518948       7.17183014       5.09084490       1.91233714       0.16513175       0.85117314 
Hf       1.76805956       5.48464898       2.68438414      -2.66430463      -0.26383438      -1.55314165 
Hf       0.03033278       3.55280281       5.17424290      -0.69843771       0.51090097       0.33861451 
Hf       0.18664357       3.36369699      10.30586394      -2.41643780       1.77323514      -2.28989571 
Hf       1.98297322       5.77298920       8.05627521      -1.39480584      -3.55175711      -0.79073614 
Hf       8.87065567       9.09433479       8.07566091      -0.58869910      -2.11708460      -2.31214451 
Hf       1.59084615       1.83271935       7.61450931      -0.18958162      -1.11921659       1.19629492 
Hf       7.46543933       7.20581467      10.61642058      -2.79242211      -0.87212920      -1.35020290 
Hf       8.86034706       9.05151107       2.88838802      -0.66528976      -0.24302051      -2.27444184 
Hf       4.99710862       8.76850357       2.67232469       3.68152196       2.48949164       0.86472893 
Hf       5.35436494       9.23086046       7.94330371       2.24042048      -0.65871957      -0.04837363 
Hf      10.49461282       0.04789700       5.38769416      -0.73110197      -3.57603096       1.64559992 
Hf       3.50552591       3.54712541       5.17793553       0.94151530       1.17509583       1.93102486 
Hf      10.88914057       7.24130027      10.56868128       0.98300963       0.61589633       2.07910435 
Hf       1.76989852       9.07723861       7.68212399      -0.57678554       1.96993246       2.04302320 
Hf       7.10767969       3.48838613      10.54075220       0.76495862       0.30295677       0.39498670 
Hf       9.18349230       5.12381005       2.24525295       0.37505983       1.81110272       1.75943579 
Hf       3.64238859       6.97899139       5.39609533       0.95737363       1.38432425      -0.51680975 
Hf       3.80805416      10.77376480       0.00192449      -0.49964567      -4.83930993       3.00475666 
Hf       7.14375429      10.69355055       5.21948652      -1.04023462       2.26052441       3.56586262 
Hf       5.71167285       1.47159458       2.93016913      -1.49438512       2.47245266      -2.40391014 
Hf       5.18597856       1.94665540       7.67029062       1.56070855      -0.38122705      -1.56021269 
Hf       1.38337523       8.83364235       2.53801313       0.97456364       3.89125469      -2.55396888 
Hf       3.20533480      10.85478080       4.99119059       2.40219178       0.68031026       0.80682550 
Hf       3.34403184       3.29396479       0.05702767       2.59339853       2.06326471      -1.46672617 
Hf       7.12066693       0.01554426      10.33222907       2.23021731      -0.39267085       0.23330689 
Hf       9.20192819       1.85150462       2.40172448       0.39976132      -1.01305896      -2.05190457 
Hf       5.75299220       5.17474011       7.87600875       0.50421406       0.54665072      -0.25823973 
Hf       8.88523482       2.09191180       7.78883469       2.30261808      -0.38346518       0.67794570 
O      10.52971453       8.77899010       1.73305643       0.40993582      -1.31888237      -0.24235883 
O       5.26170687       7.12798949       3.74242445      -1.54318093      -1.32758084       0.40177572 
O       0.26674497       5.45558654       4.28086334      -2.13558405      -2.20261865       1.42738662 
O      10.92924227       1.40511796       4.17085988       0.34859681       4.99777717      -3.98498768 
O       1.88516101      10.81133457       3.26758376       0.47447021       0.87830895      -0.06529048 
O       1.40451099      10.27673359       0.46868076       2.09658181       0.23316883       1.48046671 
O       1.66993138       3.92351353       0.89204584       1.04325702      -1.27089784       1.32185169 
O       0.12046034       1.56395859       9.10945042      -1.17760886       1.91813664       1.15141239 
O       1.68961537      10.88800378       8.60145926       1.63864125      -0.46647058      -1.22230667 
O       1.48952988       0.07346743       5.79484502       1.79486091       1.16831340       0.99743017 
O      10.76485308       1.96367116       6.65322457      -0.27357178      -0.37054076      -0.39163711 
O       1.78376126       3.60474093       3.78799661      -1.01501267      -2.18686012      -1.77847510 
O       1.86209206       7.29020128       1.05895292      -0.13708410       0.79206831      -0.21583251 
O       2.60432041       7.43395386       8.77344009       0.17431724       2.07112462       1.20441113 
O       0.03904499       2.06990032       1.11655923       0.54924714      -3.86036202       3.57565155 
O       3.80978444       5.11383461       6.99535401      -1.21511109       2.10786217      -0.65118416 
O       3.54090470       1.68046229       6.55273280      -1.90770648       0.68516337       1.30591016 
O       5.40624828       3.47316287       9.13202652      -0.24611475      -0.30782988      -1.74685769 
O       0.02342338       5.44838067       1.68590183       1.23697398       0.86875572      -0.24907476 
O       1.71290234       7.30036221       6.41602706       2.74872837       0.61508567      -1.35154380 
O       0.11489338       9.51489093       6.82268622      -2.97075377      -1.04045509      -0.35417109 
O       3.61614459       1.90211367       4.11167953      -0.82189454      -3.07906811      -1.50797553 
O       5.43285087      10.76704472       3.72928701      -2.39088882      -0.19104793      -0.04376285 
O       5.66072285       0.16732704       1.12643208      -1.04638224      -0.79075883      -0.67390389 
O       3.53121960       1.87915351       1.51044212      -0.76160254      -0.43224304       2.36307315 
O       3.63412536       1.44657491       9.89612131      -1.08682249       5.03205362      -4.30294906 
O       5.78784225       0.59413139       8.97075983       0.22139165      -2.28591489       0.72342983 
O       0.05407882       8.71071417       9.28152532      -0.71373328       1.45560785      -0.48893790 
O       3.10851455       5.45456479       4.17046225       3.22519259       0.72284238       2.84786644 
O       5.38410500       3.63365118       3.80989713      -0.11247472       0.06517937      -3.30155069 
O       5.37763318       3.86314400       0.87051329      -0.94783908       0.61721000       1.54857106 
O       9.12088402       7.58171809       6.36039445      -0.18291272      -1.02839927      -0.38373684 
O       3.17013427       5.26901156       9.71434011       0.97168960      -0.27548961      -0.30055226 
O       5.41873768       3.46766231       6.08248224      -1.97077009       0.80524044       1.37578460 
O       0.22512027       5.76703451       9.41556094       1.73464090      -1.37113479      -1.07623807 
O       8.75872753       0.14139726       6.43075035       0.36790624       0.60821994      -0.52344400 
O       1.75059098       3.67843219       6.33861595      -0.34129849      -0.79299887      -0.48220447 
O       7.22081036       1.91598802       1.43419818       1.64350825       0.33608469       2.51391967 
O       9.30904806      10.84447395       0.90778909      -2.58833628       1.42098590       1.49889270 
O       6.91675375       9.25552548       4.07112287       1.97902255      -6.44347949      -1.40861835 
O       6.92939051       1.68880681       4.63024569       0.06111550      -0.21727448      -2.55998208 
O       3.67703125       9.55197852       6.99699789      -2.31767417      -0.59166387      -1.25388350 
O       8.74801245       7.22974476       8.97476962       0.79246772       0.98524478      -1.30906144 
O       7.99160112       1.91502893       9.53189333      -1.58140493       0.34675654       1.66176912 
O       7.00202266       9.08805919       9.33025663       2.58436936       1.10661105       1.79346023 
O       5.70821109       6.82945317       8.83358397      -1.21055939       0.85793697       1.34726384 
O       8.80313515       7.03861460       3.63993506       1.20462650       1.44002515       0.00110789 
O       5.50010494       7.18911465       6.20240765      -4.00626730       0.62574909       0.94984334 
O       7.40486722       8.62807142       1.33960646       1.88649696       1.70608882       1.62062883 
O       9.22110929       6.54103351       0.53758931      -0.63062872       0.10489065       1.80534973 
O       7.54429678       5.09443022       9.56670330      -0.66609763       0.28825953      -1.25672995 
O       4.71022762       9.10667223       9.84595137      -3.04218133       0.89232136       0.02059080 
O       8.97528371      10.82826005       8.89745533       0.73560678       0.35195041       0.86014515 
O       7.29269816       5.60493129       6.62643503       1.15158063      -0.75801988       1.59876542 
O       5.57113498       0.14501975       6.39134355      -0.38723029       0.32133511       0.50671904 
O       0.13778046       5.79476798       6.90261460      -1.32606579      -0.63286835      -0.15522466 
O      10.35314687       9.20248376       4.29630961       0.94650051       0.12223676       0.45352162 
O       1.31158516       7.29395590       3.66723607       1.16990185       1.05644129       0.20159619 
O       3.46581951       9.01844564       4.27424062       0.18689453      -2.60089331       0.37256231 
O       3.43092476       5.39381848       1.55775021       3.03759553       0.86444307       0.72478483 
O       5.38469487       7.43882589       1.19431504      -2.10613885      -2.97328442      -1.19990126 
O       8.59472453       0.15885247       3.44047837       0.37545005      -0.15828534       0.65643648 
O       9.76707844       3.79963951       8.80699744      -1.06257249      -0.03746697      -1.74346407 
O       7.40921270       5.57047806       1.68696452      -4.75038826      -0.35392308      -1.26221220 
O       9.24070410       3.58529063       0.94570560      -1.61623338      -0.29612725       0.03940290 
O       9.13187881       3.61359184       3.78050391      -0.21933204      -1.95505050      -2.44041828 
O       6.96305962       5.48682122       4.21662698      -0.47573568      -2.61793880      -1.18903352 
O       3.59980426       9.53010070       1.68915579      -2.45530328      -0.51405482      -0.46598478 
O       9.18472781       4.00710244       6.13384029       0.12622009      -0.56444017       0.79185032 
O       7.14220654       2.49006609       7.06238941       0.97967973      -0.10477657       0.27821017 
O       1.81328976       3.40751146       8.97910455       0.79717616      -0.61964483      -0.38416689 
O       7.06836584       9.11326040       6.97241142       1.80639049       0.13680724      -2.08692553 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014342091522048505 0.0005118718868775545 -0.003988800365098924 0.0005118718868775545 -0.013092664864580203 -0.007373360275411654 -0.003988800365098924 -0.007373360275411654 0.006168533326285322" pbc="T T T" energy=-1063.70074087 free_energy=-1063.70074353 config_type=crystal 
Hf       1.90203216       1.93845604       2.67794987      -1.77787886      -0.80858069      -0.54164758 
Hf       3.70189468       7.49775690       0.23607817       4.24614671      -2.23299744      -1.18015088 
Hf       5.59239269       5.52611590       3.02735454      -2.39838106       0.32301126      -3.03538920 
Hf       8.62369066       5.34998484       7.67893891       1.39876888      -0.22914910       1.77324857 
Hf       0.14091421       7.00669090       5.21397304      -2.28625146       2.06967046      -2.41402661 
Hf       0.18654650       0.24681633      10.45714852      -2.99757365      -2.41191624      -2.39168090 
Hf       7.02441113       3.31566676       5.16810870      -0.43488637       2.26040672       1.41051077 
Hf       7.06075065       7.25420096       5.53725227      -0.40201585      -0.09217510      -0.26731387 
Hf       1.86942524       5.17401866       2.26010560       1.15521268       4.75762543      -1.05177432 
Hf      10.79304451       3.58418451       5.29421200      -1.91537656      -0.83025293       0.35344919 
Hf      10.49855709       3.73455912      10.39554921       1.79992300       0.51543515      -0.07348339 
Hf       1.52848076       5.11513136       7.84929584       0.29588121       1.09776769       2.36981825 
Hf       9.22286784       9.06105386       7.71707204      -2.16075229      -0.25990856       1.83389803 
Hf       1.87840258       1.72142272       7.75119772      -0.25061210      -0.36104867      -1.19965751 
Hf       7.22231374       7.29231612      10.51741580      -0.69103002       0.51335864      -0.26153964 
Hf       9.16186100       9.11992066       2.36575233      -0.41649102      -4.30122845       1.01004532 
Hf       5.38359839       8.97924475       2.95824595       1.08705707      -3.25696882      -0.68971614 
Hf       5.40313272       9.21460932       7.74563291       0.51736299       0.27719259       0.31326803 
Hf      10.87085183      10.58151472       4.97074081       1.33977412       0.59358344      -0.16051502 
Hf       3.55305819       3.31223326       5.10240787       2.77506933       4.09612618       1.81128184 
Hf      10.73645578       7.45598758      10.39140571       1.21275056      -1.98899978       0.77593839 
Hf       1.58508373       8.95068180       7.81450659       1.37035336      -0.30126092       1.76309167 
Hf       7.14456383       3.55652040       0.03854841       0.40315040       1.04135614      -1.73673687 
Hf       9.04323721       5.49707144       2.72503709      -1.10646608       0.99143408      -0.34759631 
Hf       3.46599721       7.14325810       5.30907783       0.79483817      -0.33364523      -1.16583340 
Hf       3.83659027      10.77645603      10.59811000      -1.47299495      -0.00494811      -4.89764135 
Hf       7.46769484      10.82647094       4.94226944      -3.57418806      -0.71406306       2.05359073 
Hf       5.25085407       1.81336448       2.21922540       2.07661680      -1.66563836       2.27324603 
Hf       5.45058557       1.71483827       7.78657146      -0.79769952      -1.35764666       1.47713183 
Hf       1.89483385       9.25960835       2.38255497     -10.23914557      -1.31983614       4.47680427 
Hf       3.50488214      10.77233252       5.38489332       2.59691950       0.72357018      -1.56317128 
Hf       3.39833832       3.37356801      10.34167496       1.58269311       1.98403572       2.38830875 
Hf       7.53159910      10.95109105       0.09408026      -3.28849662      -1.13181900      -2.76095953 
Hf       9.27947344       1.78635948       2.45351886      -1.66129988       0.77590239       1.01568095 
Hf       4.83635090       5.38470495       8.20648636       3.91653579       0.46448987      -0.81591721 
Hf       8.99957273       1.68508637       7.86994076      -0.22890907       1.10196362       0.52680035 
O      10.88345857       8.73714180       1.47098090       1.34772169      -0.35398063      -1.30599134 
O       5.47650231       7.25869325       4.11049960      -0.42773472      -0.14304798       0.22091039 
O      10.52890532       5.41899657       4.24960047       0.15674414      -3.31646752      -0.49314514 
O      10.92596741       1.66135918       4.25203079       0.26153828       0.91790178      -0.77703968 
O       1.63478793       0.02528338       3.39202873       0.23524890      -0.64159643      -0.62499144 
O       1.63088387      10.38249153       0.78794042       3.07329643       1.04346730      -0.72306733 
O       1.84985388       3.63139830       1.01856357      -0.90371046      -2.02198793      -0.43492284 
O      10.48669569       1.90712264       9.54475463      -0.52878519      -3.52333444       0.59870315 
O       1.68763025      10.93385836       8.76065128      -0.99665063       0.67783211       0.48810364 
O       1.60771762       0.13995950       5.91317577      -1.09287351       0.91056619       1.07344639 
O      10.83639850       2.29503352       7.12968214       0.33319531      -0.77003288      -2.22298148 
O       1.83060769       3.84257345       3.62567732      -0.52417426      -3.03755194       1.74909107 
O       1.92935083       7.00646192       0.61044239      -2.96045768      -0.32865743       1.51216747 
O       1.36789111       7.04521022       8.53702435       0.09074522       0.68449896       1.34507150 
O      10.93694927       1.54172690       1.36030548       1.74353298       1.02645060       1.88058337 
O       3.28026935       5.77851366       6.93124158      -0.01880908      -0.86815546       0.65097964 
O       3.83619717       1.58387780       6.57957336      -4.18669523      -0.49061827       0.18936634 
O       5.27016008       3.47229395       8.66686470      -1.33193629       1.14845913       2.13372363 
O      10.55345541       4.90723316       1.64650959       3.28314629       0.70969397      -0.10617370 
O       1.65500405       7.60094664       6.31908282       1.94555570      -0.42158341      -2.47190216 
O      10.93016345       9.25047126       6.66700517      -1.28253992      -0.43153998      -0.81537826 
O       3.37420872       1.75804293       4.04932067      -0.03301690      -2.07394163      -2.22535816 
O       5.19835172      10.73723300       3.48413369       0.53253621       5.45901071       0.35990970 
O       5.43947355       0.16827649       0.80353603       2.26929206      -0.96460662       0.95332691 
O       3.47115760       1.46359495       1.21649266      -1.97514333       1.37035355       2.41797371 
O       3.50938670       1.75827311       9.38921548      -0.36589009      -3.09239547      -1.94620881 
O       5.31992289      10.75672581       8.91554919      -2.06997802       2.76849718       0.90031768 
O      10.87913281       9.10707037       9.28634876       0.13671530       1.73315412      -0.32125280 
O       3.93613802       5.39812934       4.31014166      -0.90816123      -0.83667742       1.65942948 
O       5.31242493       3.49129736       3.39853729       0.18039862      -0.26430120       0.93255664 
O       5.42718224       3.23713722       0.81111876      -2.18319610      -0.90984387      -0.53267504 
O       9.07289466       7.05081586       6.41409248       0.69293120       0.29085263      -0.02395799 
O       3.53536096       5.20101326       9.65361568      -2.72059130      -0.25470701      -0.87787931 
O       5.19416882       3.43568251       6.34482201       0.73355243       1.60016267      -2.92992585 
O      10.67568230       5.47077813       9.53672963       1.40328514       0.08000726      -0.05515722 
O       9.26266430      10.95120653       6.40159522      -1.27496499       0.40533372      -2.77775147 
O       2.01836965       3.48585540       6.35174999      -1.26797039       0.00669452       0.11099475 
O       7.27823832       1.44499418       1.64085623       1.56680629       0.30152152      -0.54233943 
O       9.24049966      10.55305158       0.91593027       2.72173522       3.05064939      -0.98825514 
O       7.18919967       8.89937112       3.91899010       1.50634391       2.26190541       1.88787292 
O       6.87406227       1.71468642       4.21162401       0.33183423      -3.68984922      -0.63337655 
O       3.34931296       9.57583477       6.89552719      -0.06900010      -1.54953901       1.24312287 
O       9.10783488       7.32556637       9.24575310      -2.52490063       0.74587550      -3.13597069 
O       6.96770496       1.50264060       9.22103153       2.53144415       1.92690548       3.48915380 
O       6.86611304       8.83868014       9.18888221       1.12094806      -0.74246063       1.54435593 
O       5.24989214       6.82444660       9.57597466       0.69156260       0.28267558       0.04080902 
O       9.17330596       7.27247294       3.57543457      -1.28287509      -0.14068221      -0.19566103 
O       5.19523528       7.58742485       6.53317533      -0.72845981      -1.11814825      -0.48079342 
O       7.45892412       9.08622384       1.24579990      -1.62671243       0.23882817      -0.58356597 
O       9.05614809       7.09271128       0.95253739      -0.56729234      -0.62104878       1.21344078 
O       7.07713097       5.05022988       9.37047538       1.77568347       0.96991076       0.68822014 
O       3.79746540       8.89836865       9.33506731      -1.84033644       0.03226113       2.43126944 
O       8.76313951      10.84183793       8.79498539       0.95910581      -1.13686719       0.99866656 
O       6.86480993       5.77074947       7.06303257      -0.95024085       0.22329521      -1.24336183 
O       5.48479853      10.77210398       6.27611233       1.27128440      -0.63999533      -0.90951616 
O       0.09600261       5.32073582       6.57306682      -0.42507781      -0.53472963       0.27149066 
O       0.02055378       8.74473343       3.79399965       0.49615160       3.51615403       3.32145654 
O       1.81007615       6.89793113       3.76286168       0.26430662      -0.38365999      -0.00302695 
O       3.74465716       9.05780409       4.25247700      -2.18268517      -1.43426757       1.21526117 
O       3.86942332       5.21615620       1.61882880      -1.67564323       0.65802404       0.68794380 
O       5.42038185       7.48918536       1.52691686       0.15355689      -0.84297134      -1.42337595 
O       8.87977150      10.88223172       3.55065752       2.01204540       0.30903659      -0.24357078 
O       9.29680999       3.66063198       8.72855042      -2.47381516      -0.06810587       0.08108218 
O       7.07868738       5.29223598       1.50759344       0.73535553      -0.39602225       0.41071450 
O       8.93575972       3.38663732       1.01986998      -1.33083585      -1.70190005      -0.20415620 
O       8.95759613       3.18615325       3.86036607       0.61149923       1.00355139      -1.42669465 
O       7.10138974       5.35566300       4.32986271       1.60041877      -0.63835373       0.61441454 
O       3.53628740       9.04092319       1.84039689       7.05795216      -0.33529981      -5.29874024 
O       8.76457288       3.78316739       6.18312154       1.05194139       0.90746432       0.90840002 
O       7.08896421       1.93112910       6.84209701       3.92983751      -0.15616386      -2.07445455 
O       1.34259491       3.23181501       8.99139794       2.54100830       2.50472219       0.32797167 
O       7.35862106       8.94473302       6.69453439       0.92148576       1.06963797      -0.58341950 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0009231490653393012 0.0048613644456445195 -0.00190361239853638 0.0048613644456445195 -0.01407974754289961 -0.00822892928210178 -0.00190361239853638 -0.00822892928210178 0.005589849922743299" pbc="T T T" energy=-1067.23495815 free_energy=-1067.23495892 config_type=crystal 
Hf       1.92688113       1.96876296       2.68409290      -2.29049781      -1.18265966      -0.49372291 
Hf       3.68355248       7.51129972       0.26745657       2.80531721      -2.72549185      -1.27673287 
Hf       5.57515792       5.52861179       3.02437183      -2.18073460      -0.60937183      -1.95124067 
Hf       8.63900715       5.35765316       7.69690319       2.10101646      -0.88985056       2.09534094 
Hf       0.10049128       7.01228131       5.18669850      -0.82510550       2.08305638      -0.95055395 
Hf       0.18712421       0.22863014      10.44614538      -2.45602044      -2.27144060      -1.51583990 
Hf       7.01043566       3.28876507       5.17257564      -0.29062113       1.77908641       0.68719586 
Hf       7.05669496       7.27115362       5.54595190       0.65506022      -0.62783900      -0.43585046 
Hf       1.85916889       5.14619239       2.23057707       0.67254554       5.62600484      -0.11323655 
Hf      10.77594953       3.58138964       5.28129277      -1.61509478      -1.40120903       0.80272387 
Hf      10.51510043       3.69845428      10.40888712       0.95452583       0.51062359       0.97686453 
Hf       1.49030655       5.11198140       7.84474121       2.80480381       0.95879181       2.56049682 
Hf       9.20848097       9.04819765       7.69932671      -1.99063175       0.25539476       1.89713928 
Hf       1.87378825       1.71939202       7.75401419       0.66546210      -0.70600501      -1.76909270 
Hf       7.24171572       7.29193858      10.49708306      -1.32529889       0.43815733       0.12545858 
Hf       9.18207460       9.12823692       2.33652460      -1.13609712      -4.04082372       0.56565331 
Hf       5.44936956       8.97229601       2.97400579       0.98413103      -0.95728006      -1.36419243 
Hf       5.42082469       9.20750873       7.76597128       0.87929091       0.88128351       0.62815200 
Hf      10.89694716      10.58979132       4.94701391       0.15514172       1.20334480       0.40217453 
Hf       3.55072106       3.32564844       5.10590587       3.28981804       3.74066030       2.14648025 
Hf      10.73305701       7.44876791      10.37435095      -0.05808053      -1.35146692      -0.84470620 
Hf       1.60322303       8.93485290       7.79402185       1.35391481      -0.35138091       2.94318289 
Hf       7.15513309       3.56334938       0.02526811      -0.47756502       0.49890975      -0.32920216 
Hf       9.05882683       5.48582445       2.74498421      -1.69844340       1.27060098      -0.83793375 
Hf       3.44303848       7.17551289       5.27161113       1.51111230      -2.08830873      -0.89282487 
Hf       3.83163476      10.76624822      10.57145024      -2.32899839       0.53418164      -4.25750564 
Hf       7.46305508      10.84074146       4.92529812      -2.81567465      -0.93409695       3.44488734 
Hf       5.24896603       1.79376946       2.20188865       1.84698575      -2.22616932       1.37676519 
Hf       5.49041326       1.72224661       7.80562256      -0.47443511      -1.13543297      -0.23737436 
Hf       1.91579147       9.25998655       2.43633888      -4.97071486      -2.50152844       1.53504129 
Hf       3.49478060      10.78157851       5.40026742       2.81715627       1.24851794      -0.67729774 
Hf       3.38488841       3.39896282      10.33536835       2.23647992      -1.63775455       0.86579096 
Hf       7.48111977      10.94466766       0.07517732      -2.36459160      -1.89672253      -1.65234593 
Hf       9.26724216       1.80179626       2.51493566      -0.91161189      -0.00557639      -0.18461340 
Hf       4.82110749       5.41090491       8.21226950       4.66175560      -0.01272407      -4.60973592 
Hf       9.01270799       1.66446992       7.88308628       0.64097311       0.83744823      -0.26947990 
O      10.87942205       8.67313980       1.31881794       0.93763784       0.57738079       0.91417551 
O       5.51244599       7.33062783       4.07930210      -0.50821747      -1.75585047       0.31113261 
O      10.57629791       5.42077725       4.20548789      -0.24072930      -2.01608299       0.07477477 
O      10.93379526       1.77267620       4.27036879       0.64148634      -0.51082357      -0.92028103 
O       1.56350786      10.91865856       3.33516029       0.12236362       1.30298395       0.53243426 
O       1.67164161      10.46305713       0.85866217       1.80466220       0.65693424      -0.97751168 
O       1.79862428       3.72975765       0.94167721      -0.49578122      -2.61062775      -1.35746844 
O      10.48426926       1.88451505       9.59023431       0.24388833      -2.96659656       0.46608155 
O       1.62410703      10.94878328       8.74198591      -0.95973281       0.06245916       0.69364755 
O       1.59982339       0.11701183       5.89473647      -0.31853937       0.72939385       0.99908446 
O      10.84222183       2.23687261       7.04554085      -0.28054008      -0.43552317      -1.28700104 
O       1.80999496       3.85582331       3.65086231      -0.33023244      -2.92076981       1.06241343 
O       1.84845732       6.96362078       0.63461220      -1.28615606      -0.09785188       1.05290179 
O       1.51016091       7.07910853       8.61292710      -0.97064825      -0.00355747       0.94120753 
O       0.05129238       1.72386251       1.41250503       0.65674279      -0.20020223       1.16530128 
O       3.25822588       5.77651364       6.92131218      -0.00974057      -1.03740177       1.14151989 
O       3.76699973       1.70049391       6.66372485      -2.48805012      -2.48474055       0.04447049 
O       5.09637666       3.44524688       8.57996891      -0.03671847       1.27654229       2.86369004 
O      10.62617554       4.91164667       1.69143911       2.17219481       0.93375133      -0.36047385 
O       1.79715683       7.54554478       6.26766748      -1.69100513       0.25258798      -1.82346268 
O       0.01444297       9.17902500       6.74431563      -1.89272579      -0.30944066      -2.74897444 
O       3.32606663       1.73130459       4.13385619      -0.64332509      -3.24381669      -2.40007304 
O       5.32400783      10.79396186       3.48012029      -0.24334669       2.82767273       0.21853647 
O       5.38088656       0.21591493       0.83132534       2.47883253      -1.65688131       0.15678833 
O       3.39816862       1.52382775       1.26329151      -1.36975794       1.09551827       1.71951144 
O       3.55644414       1.64204595       9.33227571      -1.16641499      -0.18270130       0.44649420 
O       5.24416094      10.86601771       8.90606238      -1.30984688      -0.70426936      -0.56654247 
O      10.84125179       9.19862857       9.24862027       0.22156504      -0.87391727       0.88192531 
O       3.90191695       5.27830882       4.45701138       0.71685941       1.03551796       0.02259759 
O       5.16771556       3.34291992       3.34227704       0.79223702       2.55634129       2.02090089 
O       5.37874467       3.27788182       0.80577790      -1.12867072      -0.96556373      -1.46970142 
O       9.12874912       7.08486185       6.47353750       0.86782667       0.14726048      -0.54399434 
O       3.58835349       5.11521299       9.53890645      -5.26267351       0.17976708       1.85444731 
O       5.25034637       3.42480955       6.33001199       0.90211163       1.31784774      -3.44368528 
O      10.53582907       5.45850150       9.50144230       1.47037948       0.54430239      -0.06248442 
O       9.28470197      10.89928440       6.35770361      -1.05669853       0.27716977      -1.80883670 
O       2.05854245       3.41997193       6.34364974      -2.83542287       1.10944711       0.64356686 
O       7.24407181       1.39487881       1.60362657       2.19711620       0.86125943       0.03989467 
O       9.22700362      10.59352359       0.93621763       2.39867826       2.58622182      -0.52111550 
O       7.29304195       8.99078886       4.11771074      -0.72260982       0.95879867      -0.49407202 
O       6.90453255       1.61209487       4.23176501       0.30183146      -0.49584994      -1.40496624 
O       3.30892049       9.52563296       6.92721330       1.92293271      -0.37805017      -0.05245574 
O       8.86093101       7.40897944       9.21200539       1.40826265      -0.07044090      -1.45530476 
O       6.91036662       1.42180504       9.37882223       2.34132386       3.15841239       0.84516430 
O       6.96922379       8.89529746       9.22620924      -1.18625073       0.53652092       0.49362645 
O       5.20130644       6.73178317       9.58094946       1.36396942       2.43049334       1.12837474 
O       9.00685792       7.34457624       3.57647281       0.40578114      -1.17681586       0.28208958 
O       5.25895987       7.47362455       6.49310028      -1.47545775       0.64978185       0.73073521 
O       7.36803490       9.01926899       1.21431361      -0.05393013       1.54054662       0.74393684 
O       8.92129408       7.09720159       1.07396745       1.08452791      -1.00263501      -0.17556767 
O       7.18193584       5.05558386       9.37897114       1.02663092       0.49554839       1.10191827 
O       3.72663749       8.92275298       9.39353776      -0.66052416      -0.08746003       1.67265577 
O       8.93763725      10.85810924       8.87320910      -0.21461830      -0.55560312       0.40393704 
O       6.92037603       5.75926780       7.12118160      -1.67646095       0.73252359      -1.73334160 
O       5.61991416      10.79651395       6.24584178      -0.78839968      -0.95382248       0.13038292 
O       0.10270636       5.31576706       6.62416743      -1.60817997       0.05368225      -1.47012401 
O       0.05568442       8.83935218       3.81452106       0.16702144       1.32403604       2.07448699 
O       1.90446187       6.85551837       3.71680941      -0.39558488       0.41560044       0.12343885 
O       3.64444153       9.07084162       4.23226638      -1.22450833      -0.44495105      -0.00102204 
O       3.87140175       5.23459942       1.62932472      -1.27197163       0.88436434       0.64821991 
O       5.45261265       7.54674654       1.51251223      -0.32553105      -1.76903168      -1.12435872 
O       8.96865183      10.85422183       3.63128667       2.57114682       0.58225685      -1.52815543 
O       9.28997433       3.54264616       8.76458677      -2.72765881       0.73548568      -0.05721403 
O       7.00270763       5.20864389       1.57738261       0.86424392      -0.14332222       0.28144200 
O       8.87840737       3.44898090       1.11725373      -0.25738716      -1.37197956      -0.96129520 
O       8.96062480       3.16262305       3.86968122       0.31346560       1.84829172      -0.64774259 
O       7.17847649       5.31362406       4.36405312      -0.04518638      -0.11656422      -0.37140501 
O       3.60686804       9.05635296       1.64643338       2.36134292       0.84762798      -1.83422918 
O       8.71422382       3.81155329       6.23333772       1.92829488       1.21208336       0.30577564 
O       7.19409196       1.97356465       6.70060312       1.90991408      -1.77692284       1.84896975 
O       1.41368818       3.21624413       8.93130360       1.33097910       3.28205094       1.41277414 
O       7.36842756       8.92228527       6.67636752       0.35592449       1.01212731       0.69066496 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.032341164261981976 -0.002036508333501205 -0.008913428235439646 -0.002036508333501205 -0.0041946164066757555 0.005299896528111915 -0.008913428235439646 0.005299896528111915 -0.02204722417080473" pbc="T T T" energy=-1062.37134105 free_energy=-1062.37134202 config_type=crystal 
Hf       1.39792468       1.54370796       2.40518146       2.01353728       1.54385277       1.14743392 
Hf       3.73748908       7.31731957      10.58408631      -0.57399300      -3.31341158       0.06220063 
Hf       5.28996995       5.44085763       2.49779236      -0.64173001      -0.77493298      -0.98636368 
Hf       9.06643237       5.37266025       7.89497376       2.04918234       0.38537697       2.32602063 
Hf      10.86608794       7.26023082       5.39369232       5.35559470       0.54882739      -3.78462828 
Hf      10.56955350      10.73544389      10.53205480       2.20682592       3.32392668       0.47850273 
Hf       7.29727240       3.63798472       5.13793403       1.40252847      -0.26150297      -1.47112191 
Hf       7.21655516       7.53723805       5.27229809      -2.39582497      -0.84382462      -5.39895142 
Hf       1.65452450       5.38334882       2.97764579      -0.79081715      -1.86751919      -1.31486684 
Hf      10.91060031       3.72605869       5.41252276      -1.83579918      -5.13569938      -4.22005224 
Hf      10.75163379       3.59955622      10.50358981       1.53820378      -1.83613153       1.37654952 
Hf       1.83230938       5.30194847       8.10195727      -0.12539167       0.09811026      -0.35577838 
Hf       9.01189987       8.97235583       7.67404053       0.19927968       2.74322298       1.11605171 
Hf       1.81679152       1.91757127       7.66709894      -0.68241955      -3.15600613       1.71587200 
Hf       7.26680475       7.28497177      10.36052241      -0.76912172       0.93298906      -0.55716540 
Hf       9.08710558       9.20700059       2.38532032      -2.62875862       0.41424130       4.32554343 
Hf       5.57850728       8.82374624       2.49960088      -0.36926309       2.73638303      -1.11497087 
Hf       5.22692474       9.15753612       7.87886880       2.13807546       1.26199481       0.22555412 
Hf       0.00732934       0.03322703       5.11629423      -0.55536274      -1.40393519       0.99870607 
Hf       3.63119222       3.63038487       5.55114246       2.17966961      -1.82291590      -3.62202872 
Hf       0.06595753       7.03500252      10.59037379       1.46735032      -0.11276378      -0.83873365 
Hf       1.62224725       8.95416876       8.08684060       3.00551287       0.91795620      -0.46301320 
Hf       7.05330101       3.45677883      10.37925464      -0.65711058       1.70926138       4.63324739 
Hf       8.76793802       5.51807771       2.18013492       3.46312377      -0.98488254       3.60534371 
Hf       3.65389984       7.13638255       5.63718209      -4.41845886       0.91950772      -2.66286226 
Hf       3.61431045       0.07634656      10.52845179      -1.13565438      -1.32313877       0.28041296 
Hf       7.48091961       0.02467729       5.26989041      -1.69756820       0.38686271       1.48889492 
Hf       5.06609307       1.71191707       2.60425072       1.72789586      -0.37633350       1.78298738 
Hf       5.41343980       1.69352030       7.89910121       1.61151306       2.12710560      -1.45329923 
Hf       1.99207262       8.84748625       2.46688992       0.56990978       0.23089922      -2.05415461 
Hf       3.61403611      10.60113965       4.74301789       0.13381801       1.00595174       2.94088121 
Hf       3.45320641       3.46117592      10.48395996      -1.14126505       2.14067661      -0.27142194 
Hf       6.92275896      10.76308171      10.27935532       3.81968803      -2.56404355       1.81626565 
Hf       8.82668990       1.83546777       2.61550163      -0.19993182       1.01524936      -0.95147626 
Hf       5.60529316       5.23515325       8.00526356      -0.16115572       1.20683710      -0.93257862 
Hf       9.23812856       1.78999643       7.93952553       0.15228331      -4.01388100      -2.90688832 
O      10.88854687       9.25604995       1.96134067       3.27848689      -0.83041733      -2.32579315 
O       5.67556714       7.28221063       3.53952545       0.08530175      -4.13982024       1.37538525 
O      10.77640771       5.36666874       4.27959668       0.22532917       2.86423881      -0.09017870 
O      10.76403609       1.51465473       3.87099177       0.76280453      -0.71167733      -0.98540065 
O       2.17314944      10.70574009       3.26890027      -2.01850235       0.58006846      -0.31362432 
O       1.71120143      10.64263232       0.60747360       0.03592259       0.07255146       0.23313914 
O       1.92313933       3.58680431       1.04373783      -2.81598092      -0.89803213       1.09424000 
O       0.02403407       1.61817206       9.28298553      -1.14426820       0.07913170       0.38488698 
O       2.63795259       0.07951273       8.71996219      -2.02277357      -0.15958571      -1.64716462 
O       1.83818596      10.66844488       5.98535561      -0.11895890       0.49966857       0.11275680 
O       0.14259026       1.66989391       6.62217248       0.77585875       0.81198544       0.51370797 
O       1.06765771       3.38557667       3.78495841       3.57186969       0.97573092      -2.55261353 
O       1.83676946       7.55741396       0.67201438      -1.18208489       1.00190370       1.94850012 
O       1.90730506       7.11463193       8.90242152      -1.77007519       2.15544131       0.27126802 
O      10.92001863       1.49038675       1.20345279      -1.78292435       1.71561334      -0.34032070 
O       3.46290335       5.64873458       7.08311575       4.23321340      -2.07573037      -1.43421199 
O       3.69025744       2.33618228       7.16145477      -0.83486445      -0.25413812      -1.16795329 
O       5.59362393       3.52225649       8.87427742       0.41882377       0.36113836      -0.37809259 
O       0.15182518       5.39796226       1.43517095      -1.32338451       0.35477539      -0.70998207 
O       1.75371673       7.11218326       6.33696803      -1.10422047      -0.08862119       0.13587106 
O       0.08384046       8.72460890       6.98454899      -3.20145733       0.15615133      -0.01271980 
O       3.85510306       1.76664174       4.37068965      -1.69213003       0.21357623       0.71585446 
O       5.03988380      10.64516546       3.39631881       1.76841691       1.06455837      -2.04074618 
O       5.53394254      10.89056146       0.98699863      -0.73873450       0.30232119      -0.41579738 
O       3.34417438       1.47858111       1.51873476       0.81260059       0.78393533      -0.09099128 
O       4.15295550       1.86376800       9.62594797      -0.59601767      -1.43214521       0.56061464 
O       5.63889971       0.11937515       8.88549601      -3.09228696      -4.57852442      -0.89484664 
O       0.07020167       9.17399773       9.54072486       1.20223114      -3.50229981      -0.96536978 
O       3.15060783       5.35907492       4.40611632       1.16234144       0.49529703       0.51183335 
O       5.13033698       3.61126106       3.51221317       0.26247154       2.18462943      -0.31319948 
O       5.04850519       3.94237614       0.72500483       2.95071987      -0.15280023       1.35910581 
O       9.03348133       7.38409245       5.71121180      -0.96313702      -0.46774394       4.05317739 
O       3.38592759       5.42596503       9.49735652       0.67468806      -2.32068875       0.79956750 
O       5.61669277       3.50800876       6.21974887      -1.10842592       1.58448541       0.91431693 
O      10.82709850       5.32388951       9.43702281       0.48718415       0.33136567      -0.39119554 
O       9.33562184       0.10841849       6.30729717      -0.64478348      -1.83490392       0.09671876 
O       1.78501309       3.65995643       6.32048394       0.68402635      -0.26590092       1.17246952 
O       6.95400645       2.16823305       1.80641120       0.30528087      -0.53282160      -0.04263306 
O       9.06365832      10.82396344       1.11603352      -2.11563886       1.60479649      -0.36795804 
O       7.35252767       9.06356311       3.99039647      -0.42282911       1.78705639       1.10260730 
O       6.68184911       1.71304313       4.42490988       1.71122009       0.65025983       0.28053710 
O       3.58233503       8.87581441       6.98674973      -2.84942090      -1.63991682      -0.77717308 
O       8.94318493       7.28092385       8.80845011      -0.02552703      -0.18831074      -2.07135660 
O       7.13334325       1.66414573       9.81579137       1.56735497       0.51502202      -0.71872278 
O       6.90001331       9.04382828       9.05049497       1.57300179      -2.17372225       3.11952603 
O       5.46591926       7.00611341       8.91101103       0.22629509       0.39692302       0.02890583 
O       8.47183875       7.34197364       2.66209937       0.62888204      -0.38303739       2.02881735 
O       5.44997839       7.28997953       6.09857614       2.75054398      -0.31507966       3.18521558 
O       7.60339169       8.95324495       1.00733053      -3.13988520      -0.41048283      -1.22292886 
O       9.18296269       6.99909576       0.52045643      -1.10515459      -1.16857888      -0.07265841 
O       7.43220408       5.20115766       9.37569167      -0.81011384       2.20192324       1.31911456 
O       3.96830023       9.05181455       9.78376428       0.76123897       2.06364488      -4.02625097 
O       8.97824359      10.59122327       8.87571159       0.74662656       0.87622857       1.21042614 
O       7.46786937       5.18175677       6.99859128      -2.95740111       0.18562851      -3.16914935 
O       5.24707644      10.68799674       5.94938059       0.63168585       0.28645399       2.40035666 
O      10.82721419       4.98562717       6.75905827      -1.53745188       4.80627172       4.71323392 
O      10.49901604       9.04979536       4.44190225       0.30025187       0.42415512       0.13585178 
O       1.35042407       7.29912692       3.57434680       0.22025312      -0.12584375      -0.07816435 
O       3.79359432       8.69327255       4.03210552      -2.11867999      -1.12690122       0.65767535 
O       3.47723391       5.82960346       1.55861583      -0.98755914      -0.61251907       2.96736120 
O       5.46490210       6.98694118       0.99948505       3.30340020       1.05696889      -1.39742951 
O       8.80329150       0.18212542       3.79511549      -0.18070084      -0.93455867      -1.72690541 
O       9.02928726       3.54915796       8.71282556       0.92043946       0.25909061       1.84257654 
O       7.10283320       5.05122326       1.54326958      -1.85709593       0.00335984      -1.61763403 
O       8.99057281       3.37235004       0.85290306       1.53898028       0.74000035      -1.40799762 
O       8.90261574       3.66649278       3.47832165      -0.10227303      -1.70155133       0.09204944 
O       7.53904776       5.49412614       4.22456099      -1.38659214       0.22473278       1.29199523 
O       3.91827185       8.83197299       1.35796104      -1.96145599       0.89478247       3.16456856 
O       9.05767174       2.81629447       6.14540751      -1.13333090       2.67885650      -1.36187622 
O       7.37719269       1.28477079       7.35715752      -1.41897836       0.65619076      -1.46739308 
O       1.82971697       3.39954677       9.01803283      -0.87267436       0.90532024      -0.48959633 
O       7.25712819       9.45830297       6.78566744       0.41682342      -2.59423199      -1.68696775 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009585135871182475 0.008237326964245765 0.010035622347286222 0.008237326964245765 -0.022331550994755346 -0.008972769358487946 0.010035622347286222 -0.008972769358487946 -0.0001270396205746457" pbc="T T T" energy=-1063.13841499 free_energy=-1063.13841757 config_type=crystal 
Hf       1.48391471       1.95312842       2.57722394       1.37359264      -3.54712717      -0.83441687 
Hf       3.34571994       7.18454436      10.26219980       3.63830264       0.85771344      -0.85315897 
Hf       5.34694389       5.59693330       2.53970187       0.54304058      -0.56710128       0.18667947 
Hf       8.88159249       5.23854194       8.26773863       1.85152290       0.64249542      -1.97171398 
Hf      10.74232667       7.08929147       5.14953218       0.53670028       2.96544970       1.66834254 
Hf      10.62943823      10.82403794       0.18457301      -0.27130657      -0.01809915      -0.73342307 
Hf       7.54129505       3.66865177       5.26527965      -1.31969025       0.53045037      -0.44766683 
Hf       7.19341707       7.45939939       4.95645608      -0.82485584      -1.06346614      -0.73529020 
Hf       2.03980714       5.56356735       2.30365718      -2.47405504      -1.13952315      -2.12224312 
Hf       0.01100651       3.70825727       4.91869135       0.19448371      -1.21855755       0.68398037 
Hf      10.82749204       3.50125954      10.58670285      -0.37296930      -0.41621532      -0.24329621 
Hf       1.65249162       5.20163775       7.66660682      -1.15962947       1.33637257       0.94259524 
Hf       8.81199264       8.86790363       7.92056180       4.48828809      -0.13757002      -1.43938281 
Hf       1.83036677       1.66909730       8.35971094       1.07438353      -2.38016535      -0.57215915 
Hf       7.30424173       7.40537371       0.16197427      -1.86760366      -4.42058078      -2.77143027 
Hf       9.14325826       9.22351654       2.56544552       0.76973945      -1.02039281       2.98008721 
Hf       5.68139781       9.39442149       2.15071236      -4.08263027       0.03727567       2.34132344 
Hf       5.54232147       8.81517985       7.92397945      -4.11680911      -2.87010788       3.16130276 
Hf       0.07000292      10.78464750       5.34042424      -0.05377807      -0.85966115      -0.04568085 
Hf       3.33139191       3.41130376       5.37811701       2.52817091       2.11439859       0.01129088 
Hf      10.89083043       7.16348780      10.61671362       2.87887052      -0.58591816      -1.62698723 
Hf       1.96733266       8.66846685       7.67296562       0.89626806       1.54362650      -0.98615363 
Hf       7.11352976       3.36271862      10.60556359      -1.86789835       4.46781783       1.06297419 
Hf       9.06864494       5.38217400       2.49208735       0.40864277       2.59472014      -1.47820759 
Hf       3.82006007       7.01418206       5.27870631       0.69556288       1.97786003      -1.80395450 
Hf       3.17032282      10.94249761       0.16677177       3.46398472      -0.48603044       3.44607547 
Hf       7.22459303       0.02418690       5.43659702      -0.03080561      -1.01380141      -2.70075962 
Hf       5.41601468       1.94838524       2.38866867      -1.78554346      -1.25868085       2.26349027 
Hf       5.51441336       1.72620534       7.78361627      -0.46705913      -0.70178364      -1.67674089 
Hf       1.73121026       8.88446099       2.74306461       0.70914783       0.66903397      -0.63942596 
Hf       3.50775250      10.84068952       5.06668083       0.32491537      -1.16406414      -1.88463133 
Hf       3.58177912       3.76649520      10.47031934       2.11540497      -0.77679067      -0.01163827 
Hf       7.08469367      10.89362651      10.21553009       0.73515494      -1.90719660       1.67562092 
Hf       8.72291839       1.77579504       2.70538279       1.35005549      -0.85071638      -1.00751929 
Hf       5.29206441       5.00799352       7.73930631       2.58437664       2.01096505      -1.07634141 
Hf       9.29193216       1.88735451       7.60269167       0.56223420      -3.34163921       1.26505029 
O      10.92778567       8.96478447       1.26091583      -0.05027537       1.53770295       1.92722187 
O       5.26822974       7.60228875       3.76193685       1.17013605      -0.97175026       0.68966991 
O      10.60605057       5.46297155       4.18747195      -1.25519220      -1.90074033       0.15147855 
O       0.14095343       1.72107158       4.19321745       0.14414940       1.54842752       0.73689292 
O       1.72922777      10.78509604       3.61962634      -1.16957603       2.02895233       0.46719291 
O       1.50757858       0.29400919       1.13315291      -1.45852151      -0.96118103       0.54774229 
O       1.75596129       3.55391243       0.45533679       0.27076320       0.32106718       3.46148418 
O       0.45823317       1.36864061       9.79070597      -1.49892841       1.36492082      -0.15654462 
O       2.31312571      10.80614613       9.17611901      -2.83037810      -1.52139129      -4.25202813 
O       2.03573337      10.64918171       6.35377535      -0.76455171      -0.01017531       0.39043305 
O       0.18711018       1.42537078       7.21927016      -0.87660756      -1.22549012      -2.41249984 
O       1.66831416       3.81227792       3.47544991      -0.04162581      -0.83321991       0.82179468 
O       1.84928701       7.19107961       0.87668290      -1.48295229      -0.19813544       0.96976075 
O       1.78341516       7.06571230       8.89749764      -0.52106644      -1.32363422      -0.28113628 
O      10.63730782       1.97053400       1.46709664      -0.44503297       0.42053393       1.41918574 
O       3.54620576       5.35603332       6.43034943       0.28114236      -2.23331837       1.80564401 
O       3.70213385       2.12821428       6.99116215      -1.32746846       1.28310737       2.32668225 
O       5.25231111       3.50422434       9.30456081       2.17290440      -1.35434198      -4.11831201 
O       0.11944921       5.14208564       1.68120498      -2.04454955      -0.47081533      -0.69485847 
O       1.85905056       7.13259232       5.97701205      -1.98123235      -0.42085303       1.19644528 
O       0.14798686       8.91158268       7.00607559      -1.41138303       0.40601724      -1.60859078 
O       3.26876215       1.80775337       4.55204272      -1.20764701      -2.65291610      -2.24107672 
O       5.40059728       0.03015551       3.63834581      -0.13320856      -0.76365196      -0.85275543 
O       5.31763889      10.85813695       0.68609100       0.43860210      -0.81604040       0.99095296 
O       3.54162560       1.51736623       1.82105817      -0.91009878       0.97612634       0.58689130 
O       3.34670927       1.84940501       9.94254751       0.80251345       0.28689197      -1.69613878 
O       5.70004591      10.59711595       8.80252965      -1.71947305       4.35745714      -1.70715278 
O      10.58915664       8.66163239       9.44635741      -1.33375800       1.90301644      -0.77654174 
O       3.39041111       5.68187056       3.62791653       3.68746402      -0.00854096       2.13881120 
O       5.07382308       3.53997629       3.43509234      -1.09399720       2.31256909       1.54576232 
O       5.39604167       3.68357614       1.10919493       0.59502839      -1.01490801      -0.92602776 
O       8.74369140       7.59389952       6.15795537       1.74202172       0.25419747       1.51076091 
O       3.67095045       5.25834611       9.05965090      -1.91346926       0.97053562      -0.81226840 
O       5.72238749       3.41633476       6.11399648      -3.62931380      -0.15449685       2.34080625 
O      10.53182849       5.30772141       9.68555774       0.30789910       2.17307274       0.50729334 
O       9.10552240      10.56731651       6.45277311      -0.33999967       0.45034804       0.42276582 
O       1.45657654       3.68099129       6.40011183       1.01205417      -0.70395017      -3.58107665 
O       7.11896360       1.47442769       1.45112082       0.96452945       0.96698331      -0.57867636 
O       8.95557957      10.85659917       1.49449862       1.53542087       0.67374647      -1.09359119 
O       7.53725886       9.24995929       3.94005317      -1.26421297       0.59540845      -0.58987252 
O       7.18244727       2.04421321       3.91785716      -0.37618295      -0.96791868       1.43223725 
O       3.81832618       8.42457544       6.68514516       0.62145981       1.94393962       1.09584018 
O       8.39092617       7.08607172       8.84203541       1.77510501       0.86023588       0.21547307 
O       7.25299219       1.75050027       9.67352624      -1.03016050       0.58119026      -4.55380111 
O       7.29520587       9.08725239       9.09004410       0.10497339       0.19425949       2.39242536 
O       5.66811235       7.13937408       9.25188168      -0.45897475      -0.21123716      -0.36728794 
O       8.85646403       7.18863204       3.67942403       0.60706209      -0.38571668      -1.42911186 
O       5.72540883       6.70718355       6.28039975      -1.12892520       0.21327551       0.68249168 
O       7.36676565       9.05748231       1.16904343       1.92890438       1.58361419       0.23946351 
O       9.36444587       7.06629800       1.03186247      -4.96247324       0.18528857       1.41943767 
O       7.41006891       5.09891101       9.42319575      -2.36869843      -2.87278391       2.99705479 
O       3.60979460       8.83309039       9.18535955       0.43113636      -0.43142471       0.02869216 
O       8.96400648       0.11428916       9.41528788       1.84935924      -0.71415720      -0.97678808 
O       7.33789155       4.94588647       6.91250903       1.43175222      -0.58603534       0.82933825 
O       5.20909418       0.45568612       6.13967423       1.37621605      -0.50251815       1.13266745 
O      10.68314334       5.59025277       7.02129026       0.91672461       0.71191706      -1.05604943 
O      10.88113557       8.95345421       4.06441821      -0.82233932       0.96641181       0.72034261 
O       1.27826238       6.92787453       3.44362339      -0.20696116       2.77816894      -0.21584126 
O       3.07015671       9.01624546       4.18495851       1.49428135      -1.71382424       0.98082666 
O       3.75658868       5.48941199       0.92968993      -0.13917322       1.00442169       2.42099447 
O       5.40749759       7.59890105       1.33921499       0.61546292      -1.70641256      -1.71552933 
O       9.19399451       0.12790484       4.00265277      -0.17293413       0.47323094      -0.65908099 
O       9.66039932       3.30593312       8.82920652      -1.88265498      -0.13849335       0.58151250 
O       7.10472059       5.66831240       1.45964284       0.38727205       1.28166494       0.64197020 
O       8.65759039       3.75142796       1.07739626       2.27694993      -0.63111687      -0.55255632 
O       8.88350015       3.77734887       3.47280201       1.64460871      -3.66499352       2.59906993 
O       7.07327796       5.30729610       4.25701983      -0.84086055       2.04912874      -1.15970565 
O       3.46468644       9.15196861       1.35133184      -0.94233085       0.37325480       0.89279957 
O       9.39434907       3.24831332       6.13324666       0.25223486       0.59154030      -0.79653640 
O       7.50976095       1.69269236       6.56235799      -1.22335220      -0.05755637       1.85487148 
O       1.29160032       3.48015620       8.77208181       0.74924059       3.16863352       0.24928013 
O       6.69851472       9.26770406       6.50975326       2.60101207       0.40009640      -2.48721809 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012445745650715717 0.00022749872596318442 -0.007377207947334941 0.00022749872596318442 -0.011082712691896496 -0.006519773259944451 -0.007377207947334941 -0.006519773259944451 -0.005968567064238615" pbc="T T T" energy=-1061.83821406 free_energy=-1061.83822038 config_type=crystal 
Hf       1.56850840       1.66218461       2.39119295       2.24713675       0.46445888       0.07404923 
Hf       3.60830371       7.37619065      10.19767677      -1.10377944       1.20119710       0.08850914 
Hf       5.52245956       5.67926391       2.48746097      -2.60632520      -4.16555060       0.39917919 
Hf       9.22288482       5.29032438       7.59461480       0.65066677      -0.23774003       5.64531382 
Hf       0.23449434       7.47190567       5.27406112      -3.01347095      -0.96598877      -2.90050679 
Hf      10.73723103      10.93952075      10.40588092       1.46165548      -0.76926976       0.47490280 
Hf       7.25987979       3.83110515       5.32371800      -3.77181036      -3.69438562      -0.77945049 
Hf       7.48553263       7.17487952       5.05936999      -1.44217739       3.87840946       0.73540868 
Hf       1.94478948       5.29194762       2.61442629      -2.20664708       1.40723688       1.73869487 
Hf      10.77796281       3.53421387       4.93976727       1.41959365       0.62327368      -0.71333533 
Hf      10.94263861       3.76731636      10.40795878      -1.13314229       0.02252891      -0.93687150 
Hf       1.77669234       5.22130223       7.83951142      -1.24973048       0.26250515       1.21351705 
Hf       8.61047608       8.98544453       7.82730880       1.95168083      -2.83927386       0.18697231 
Hf       1.61543415       1.85001285       7.94116590      -1.07222939      -3.22371093      -1.68617580 
Hf       7.20643784       7.00439452      10.49091919       2.37418539      -1.96101656      -0.17142027 
Hf       8.79615454       9.20398276       2.59492027      -0.64645358       2.03098497      -0.03033714 
Hf       5.21989844       9.04244235       2.52212820       0.25036408       2.73072462       1.55303627 
Hf       5.16318263       8.87513952       7.63959226      -0.35912782       1.79533991       0.68212412 
Hf      10.58426566      10.78207876       5.43926809       1.41406528       0.44798856      -1.33319663 
Hf       3.62950762       3.45700058       5.47237339       0.62368667       0.29714632      -1.35632820 
Hf       0.17406422       7.30476268       0.15510060       1.16021989      -3.19152667      -3.08677726 
Hf       1.65849244       9.04362965       8.08480206       0.56321596       1.23056242       0.34390123 
Hf       7.14979499       3.24888632      10.61138201       3.34520814       0.41731674      -1.66529509 
Hf       9.19418361       5.64128735       2.51363775       0.77809432      -2.92088565      -2.30390255 
Hf       3.73011515       7.23079369       5.24319961      -1.49989374      -0.69470365       0.01902590 
Hf       3.83221017      10.93194468       0.19840750      -0.99778358       1.85274028      -1.99897218 
Hf       7.08409471       0.04674980       5.19559040      -1.46238317       0.53682371      -0.49495235 
Hf       5.51621321       1.89470906       2.83580359      -2.70415223       0.22676090       0.50937351 
Hf       5.06380776       1.41885930       7.96020680       0.20479668       2.30325011      -1.95938742 
Hf       1.35131479       9.03521764       2.35237733       1.77411397      -1.50728081      -1.87951813 
Hf       3.30014068      10.65313518       5.05431515       1.55884171       2.20184974       0.22423634 
Hf       3.62637147       3.68760236      10.55686640      -0.42985547      -0.58019962       1.41925771 
Hf       7.40163103      10.58237224       0.02088418      -0.70713521       0.45320061      -2.93279021 
Hf       9.03307738       1.98297782       2.51544649      -0.42756053      -1.56793147      -0.54154036 
Hf       5.58088122       5.18693304       7.95281656       0.27582490      -1.00296770      -0.98715786 
Hf       8.98050841       1.44413019       7.89478286       0.22279756       1.53690996       1.08247079 
O      10.46089770       8.78382027       1.35340917       0.83018482       0.49516283       3.63331266 
O       5.54980245       7.30726295       3.47395239       0.94960307       1.74376407       0.50815724 
O      10.76818743       5.59334652       3.96833821      -0.32467942      -1.29212959       1.67980545 
O      10.56993598       1.69419771       4.05664224       1.27098712      -0.88473940       0.70710679 
O       2.10111517      10.71076561       2.90889870       1.48185715       3.33688460       2.84994002 
O       1.65581753      10.37849894       0.57845665       0.28990718       2.48096791       0.42616527 
O       1.72112274       3.12851987       0.86642942       0.41317320      -0.08056197       0.01751567 
O      10.60977703       1.67562532       9.28047411       2.22721077      -0.62517312       1.94448327 
O       1.93738454       0.03089680       8.72511619      -1.37965583      -0.46695136      -0.55993039 
O       1.50144848       0.12557526       5.68265689       1.25707609      -0.66706582      -0.57894248 
O      10.84061053       1.42098728       6.89115622      -1.37250122       0.53556906      -1.22222456 
O       1.93678360       3.39239963       3.58600936      -2.61184749       1.48529017      -0.39202673 
O       1.81936399       7.33184405       1.29522060       2.08402955      -1.37918864      -1.69696726 
O       1.84414098       7.33628814       9.13182925       0.38301387      -1.03566930      -1.74885353 
O      10.75142288       1.37050028       1.45206595       0.05568627       0.77332972       0.34844634 
O       3.47889396       5.27285000       6.71377394       1.43868294       1.29611141       1.62064734 
O       3.25316815       1.53737857       6.80474415       2.29586840       1.05307519       0.91895539 
O       5.40019060       3.40339485       8.85188488       0.39855751       0.91639546       1.48784995 
O       0.15545720       5.12732057       1.32188260       0.53576097       0.63686522       1.42543887 
O       1.84611635       7.48058139       6.09721743       3.63495246      -0.64358041       3.57023023 
O       0.02013055       9.10467396       6.76171977       0.13729218       1.15122710       0.71250399 
O       3.71748737       2.00714205       4.25540146       0.29078842      -2.52553202      -0.92481194 
O       5.18785576       0.15399304       3.91956513       1.16116623      -2.35268315      -1.45859614 
O       5.97268674      10.83105657       1.23956982      -5.13159068       1.68256523       1.04981280 
O       3.74819879       1.46987624       1.56135046      -0.19622554       0.34910579       0.64037653 
O       3.60577539       1.91654064       9.71335363       0.85008754      -2.42879715      -1.69353481 
O       5.47850518      10.94061471       9.21474278       0.23408798      -0.49789519       0.45729423 
O       0.38565953       8.97857939       9.92504707      -0.80338271       2.51950907      -5.04521498 
O       3.77594749       5.75142089       4.06264338      -1.26962055      -2.23015303      -0.79074553 
O       5.56325784       3.80450672       4.16741503      -1.50429643       1.15567526      -3.96272328 
O       5.56098228       3.84927666       0.87218725      -1.52056911      -0.54608579       0.69890038 
O       9.10167837       7.90320373       5.99639946       0.25749756      -2.20385011      -1.11465886 
O       3.22656008       5.40974708       9.55741993       1.25161658      -0.53485371      -0.48026546 
O       5.39729164       3.38036829       6.42266987      -0.65549326       1.93319542       1.22365930 
O       0.16366467       5.49096204       9.28587938       0.33803766      -0.63294882       1.16626418 
O       8.84226177      10.80097742       6.45944079      -1.93714890       0.10663140      -0.01194688 
O       1.68280807       3.51906797       6.26837622      -1.90946380       0.85636150       0.99969758 
O       7.19373359       1.93577795       1.54756433      -0.21720888      -0.08798677       0.31724467 
O       9.07558633      10.63082011       0.99851505      -0.66002359       0.44551506       1.02383256 
O       7.34870567       9.15394671       4.29201454      -1.66976202      -1.54779675       0.62041093 
O       7.01123654       1.98413324       4.09312692       2.99204373      -1.35672379       2.28246628 
O       3.43878349       9.28160241       6.75395422      -0.92232856      -0.43601239      -1.39600805 
O       8.79577645       7.16487801       8.65800224       0.39841788      -0.80295807      -1.18870412 
O       7.99256283       1.43594836       9.63391727      -3.12405505       1.73015983       1.92175407 
O       7.26132499       8.78382531       9.62663545      -0.46245097       2.11160078      -0.23473707 
O       5.22690305       7.15304443       8.75668677       0.08298071      -1.88215764       0.41321269 
O       8.85195805       7.38773083       3.27309160       0.09802290      -0.11629881       1.57731354 
O       5.51528403       7.31089136       6.13366768      -1.52991792      -1.82807070      -0.44178171 
O       6.98347623       8.97065886       1.60522315       3.33957048      -2.97085036      -0.32345330 
O       9.36880822       6.77913598       0.53324864      -5.13355898      -1.27239678       1.80732885 
O       7.40978646       5.19032119       9.53970585      -2.43607812      -0.15977359      -0.51571424 
O       3.64858837       9.16995562       9.13370006       0.32957304      -1.27107052       1.91735624 
O       9.13112898      10.51829432       9.01039037       0.92851908      -0.33477424      -0.56298534 
O       7.41368351       5.25353347       6.77439432      -3.35175518       1.98631026       0.33365777 
O       5.29273919      10.88247889       6.43706866       0.95915495      -0.08379048       0.41638760 
O      10.93094626       5.82546560       6.88047769       1.72119385       0.22696980      -2.30252428 
O       0.29077838       9.29693654       3.88895680      -4.68460862       0.84698855       4.37482738 
O       1.56478752       7.21559103       3.65927230       0.27688586      -0.36382531      -0.34475435 
O       3.60429118       8.85448012       4.15604178       0.76006334       1.62457494      -1.38961544 
O       3.57454159       4.91075387       1.72781325       0.80612092       0.06671052      -1.24188119 
O       5.14913988       6.80610089       0.70520683       0.99798141       0.68866455       0.91538209 
O       8.48335263       0.00012260       3.72976701       3.15117895       1.40005256      -1.75833859 
O       9.48433081       3.62439347       8.81334976      -1.12469662       0.89576910      -1.55372728 
O       7.23127849       5.80970221       1.61800431       2.04154510       0.18111014      -0.42565767 
O       8.93668332       3.59079537       1.09334794       0.59354417       0.22324766      -1.74802624 
O       9.31417032       3.62218650       3.49059857      -0.68577155       1.69198563       0.35582396 
O       7.46417226       5.43638615       4.10079851       0.73165693       0.13248324      -0.17475289 
O       3.73677826       9.28280494       1.21986546       1.04408058      -2.93768578       1.17807814 
O       9.11398383       3.80434829       6.03172632       3.05516905      -0.60600530       0.58833250 
O       7.15504270       2.05839783       6.99798894       1.63254748      -2.12878944       0.26861794 
O       1.74880231       3.40211278       9.03418509      -0.43194280       3.39388100       0.01973937 
O       6.95724066       8.68355337       6.89446057       1.44504958       2.43422025       0.18020965 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010227633562533133 0.006235775438422876 0.001579981324865429 0.006235775438422876 -0.017698550810110538 0.0006246243497800514 0.001579981324865429 0.0006246243497800514 -0.009172204511798603" pbc="T T T" energy=-1064.16913007 free_energy=-1064.1691315 config_type=crystal 
Hf       1.61804321       1.99308046       2.52047645      -1.39435653      -3.33219425      -1.46802982 
Hf       3.76416793       7.19588196       0.02791728      -0.72884111       1.88136060      -0.81431851 
Hf       5.23186700       5.09856984       2.45319956       0.46688346       1.82317542       3.44523323 
Hf       9.15313673       5.14346752       8.02746467      -0.66510973       0.98752252       0.66494508 
Hf      10.83719785       7.19155850       5.32234888       7.08464623       3.72593878      -1.60547261 
Hf      10.62234707      10.93716554       0.16684214       1.79883993      -1.32889871      -1.92053423 
Hf       7.39739468       3.73168525       5.29697416      -1.30534918      -1.58050249      -0.36627796 
Hf       7.45135429       7.56621119       5.27797217      -2.66541415      -1.01018230      -3.66037899 
Hf       1.64922092       5.54848806       2.28833261      -0.36734028       0.35336014       0.42982039 
Hf      10.62793945       3.72969882       5.31635816       2.31268417      -0.92647557      -1.49903100 
Hf      10.52234607       3.42875634      10.36701024       1.49199304      -0.45656498       3.79643321 
Hf       1.94528853       5.41637414       7.57795862      -0.54604973       1.34472858       1.18109307 
Hf       9.19325377       9.05840415       8.03380455       1.15557153       2.07595217      -1.60451225 
Hf       1.65039409       1.71118850       7.81808261      -0.36751437      -2.20585040      -1.74937140 
Hf       7.34249657       7.26098327      10.32823129      -1.66929435      -1.14410279       0.55913013 
Hf       8.98742997       8.83998928       2.41934205       1.99150340       1.67674071       2.12294883 
Hf       5.24352473       8.98567822       2.58695011       1.76261475      -0.45990140       0.33723943 
Hf       5.35519200       9.13799072       7.76100967      -0.33970275       0.00630934       0.75211825 
Hf       0.09853750       0.00564453       5.12698818      -1.40242683      -1.87429771      -0.81622566 
Hf       3.54897544       3.10368361       5.14102866       1.68234418       5.72894726       2.32858636 
Hf      10.95173549       7.30674046      10.41680381      -1.91748673       0.94175793      -0.44139381 
Hf       1.91913360       9.04954885       7.83853983      -0.67944972      -2.60809481      -1.73599711 
Hf       7.03141958       3.64739176       0.22669595       1.41080089      -1.39172831      -0.35262306 
Hf       8.90111203       5.47195820       2.60186930      -0.52431061      -3.45785949      -0.38991422 
Hf       3.77275864       7.09549355       5.18227322      -0.74368796      -0.75208979      -2.27160409 
Hf       3.40732487      10.61338276      10.42775466       0.59828450       1.93195263       0.04221896 
Hf       7.17804427      10.72678821       5.52796773       3.07352762       3.13652761      -2.63101830 
Hf       5.35301636       1.46488294       2.61499590      -0.70353620      -0.02895317      -0.17632314 
Hf       5.46331425       1.91029868       8.11491827       0.02874805      -0.33983179       0.07779485 
Hf       1.88028220       9.16229255       2.58713655      -4.35135435      -2.62926785      -0.55361827 
Hf       3.55607733      10.93308202       5.19642488       1.03698389      -7.73225382       4.84538388 
Hf       3.33179980       3.47993609      10.19821620       0.03672095       1.80543999       0.31976190 
Hf       7.13587638      10.80874829      10.62648996      -0.28596900       2.12280357      -1.79058287 
Hf       9.10306661       1.66164733       2.64400860      -1.92099681       2.37625917      -0.68232700 
Hf       5.49190503       5.66512717       7.69935477      -1.65575485      -3.24161708       0.55862574 
Hf       9.25864389       1.49120637       7.97042159      -0.98162747       1.85012173      -2.46086330 
O      10.83442149       8.80842372       1.57468975      -1.04977104       1.72276013      -1.04352680 
O       5.54862621       7.15829926       3.41374899      -1.91170399       2.25937654       0.57644363 
O      10.72299754       5.50560441       4.46670843      -0.48431629      -2.55731867      -3.06251923 
O      10.76943433       2.07056557       3.95330349       1.05771904      -1.14505194       0.12691520 
O       1.45661346      10.73758086       3.54757841       0.66783193       4.72452053       0.21164237 
O       1.59431843      10.69694615       0.79759687       0.11086852      -0.43521097       0.66114671 
O       1.37264569       4.04296603       0.32923306       2.94825878      -0.55905873       1.91575085 
O      10.89709145       1.70199685       9.18306379       2.01933056      -1.21705045       1.19831711 
O       1.74214095      10.62860733       8.87331815       1.63231570       2.87992748       1.29600087 
O       1.74269795      10.92697394       6.34470084       0.93904609       0.42204017      -0.95297253 
O      10.84353732       1.76865107       6.59461509       0.44682635      -0.91258742       0.68095094 
O       1.91308030       3.74092620       3.15726027       0.03872149       0.74258637       0.74360903 
O       1.65308960       7.71105926       0.54119222       4.11759145      -1.70308455       1.02374346 
O       0.98277073       7.33248607       8.52350490       1.12982104      -1.24930380       1.31261691 
O       0.04505786       1.82014570       1.09808752       0.66901122       0.79764755       2.85230022 
O       3.81343651       5.06803612       6.72038582      -0.34053162       0.92038330       0.19323679 
O       3.58360023       1.79353116       7.00776975       0.78446778      -0.65647922      -1.92432854 
O       4.96717595       3.76906581       8.84543318       0.28872285       0.51137829      -0.55833950 
O      10.58543324       6.06235601       1.89271081       3.22234696      -0.94171328      -1.90324716 
O       2.08750047       6.96457406       6.20947572      -1.15624140      -0.58189734       0.11854362 
O       0.27527136       8.89638419       6.80226164      -2.44893504       0.30961714      -0.42429932 
O       3.29984925       1.43445539       4.21134798      -1.25855809       4.96210662      -3.98955698 
O       5.21184666      10.73651341       3.83152566       0.92164293       1.27923775      -2.24267725 
O       5.38992735       0.21722089       0.97235612      -1.80170654      -1.35034789       0.25462115 
O       3.21590197       1.60275697       1.47372116       1.40894258       1.18402622       0.43575954 
O       3.76135235       1.68188098       9.57544289      -1.26733612      -0.74543780      -0.27533241 
O       5.19902989      10.68084762       8.95934842       1.07275907       2.14199281      -0.80571833 
O      10.55850701       9.30409858       9.50817078       0.27099953      -2.01639914       1.07504937 
O       3.59824632       5.39718811       4.12186817       1.21797091      -0.69751687       0.18630305 
O       5.03233665       3.34002578       3.45631292      -0.56526714      -0.98223080       0.14828340 
O       5.11408978       3.94771741       0.68380811      -0.66780258      -0.50628711       1.11554471 
O       9.14996892       7.11648328       6.00211095      -3.79493496       0.48171035       2.75339642 
O       2.98846834       5.79700804       9.52957939       0.52698618      -1.56952203      -2.11702347 
O       5.81409754       3.07857848       6.39033411      -1.05526307      -0.27613189      -0.63008077 
O      10.63319340       5.34277141       9.77597226      -1.83423872       0.92903200      -1.92505100 
O       9.32160758      10.49598462       6.06224282      -0.40209040       0.08996610       0.42363692 
O       1.79266904       3.38703119       6.02129661      -1.21611415       0.66417962      -1.34995406 
O       6.99729043       2.03972771       1.80639727       1.23428384       0.76222533      -0.00941821 
O       8.89707124       0.83411906       0.50136568      -0.61928509       0.14023302       2.60836847 
O       7.39538305       9.22490566       3.95734251      -0.40771534      -0.60581500       2.79660189 
O       7.38046086       1.68409069       4.42104794       0.15432131      -0.89209766      -0.37612520 
O       3.63566621       8.93057885       6.66601583      -0.24357710       0.03138593       1.22730680 
O       8.74563105       7.31972003       8.74438710       0.84855243      -3.13397146       0.05813955 
O       6.83095962       1.75293798       9.73567507      -0.42498273       2.07677536      -0.69732233 
O       7.35936147       9.11653876       9.57760781      -0.74934897      -0.61049018      -0.91649950 
O       5.25807320       7.29896510       8.68434463       1.96727888      -1.53951240       1.58911397 
O       8.71808055       7.16903231       3.38953612      -0.98859310       1.17090858       4.19688347 
O       5.60306668       7.11581321       6.12360924      -0.14094045       0.28657175       0.43124662 
O       7.47963184       9.75322260       1.59846969      -1.41360173      -0.25144729      -0.05513361 
O       8.70565524       7.41911802       1.01342275       0.70877503      -0.47149418      -2.07298039 
O       7.35039475       5.21846375       9.65158820       0.04955637       1.36043982      -0.69860069 
O       3.93026933       8.85675491       9.44649367      -3.55887487       1.02820739       0.19879767 
O       8.92140868      10.87695367       8.99886237      -0.02742426      -0.77866559      -0.46804319 
O       7.24767064       5.24963839       7.12932171       3.04917323      -0.37435301      -1.70347677 
O       5.39404264      10.51423425       6.14846665      -1.91094973       0.87632480       1.74116988 
O      10.79243897       5.45707393       6.74292865       1.23390262      -1.44517573       3.16204234 
O       0.15298126       8.93310640       4.12464276      -1.36046334      -0.83241165       1.62482995 
O       1.68539029       6.96367918       3.56670614       0.98837325       2.12920045      -0.87328219 
O       3.35111183       9.19083688       4.16037533       0.74824412      -2.51521664      -1.36717048 
O       3.57843251       5.78397227       1.43449313      -0.87413546      -0.19341462       1.11619583 
O       5.65315861       7.71163774       1.02968002      -0.19006554      -0.50987792      -2.70191821 
O       9.55471851      10.82721934       3.07525318       0.08666161      -0.05917989       0.34752740 
O       9.14696237       3.33414909       9.03990083      -2.80282280       0.47109587      -2.60058598 
O       7.11907656       5.40817456       1.58727502      -1.44240927      -0.87732576      -0.01871298 
O       8.98193335       3.72992912       1.17126712       0.65740111      -0.65567405      -1.17246054 
O       8.90208186       3.69045640       3.78878709       0.65602343       0.46118216       0.51048242 
O       6.75633096       5.26692203       4.26476646       1.15299013      -0.11593972       0.60901778 
O       3.49200588       9.18702266       1.35090976       2.35032949      -0.68446610       1.33730487 
O       9.13383533       3.52255975       6.51366187      -2.28154889       0.78584719       0.70881383 
O       7.52869292       1.07027181       7.06999372      -1.86244093       0.75162829       0.65653940 
O       1.85564270       3.52087735       8.42969473       0.67721289       1.13118079       1.96577743 
O       7.33417330       9.04788748       6.79504827      -0.22930562      -1.05100008       0.41564129 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02567484453708988 0.0016463018282484726 -0.005867830423905285 0.0016463018282484726 -0.004521247499157117 0.0010475620716285015 -0.005867830423905285 0.0010475620716285015 -0.019745263773855215" pbc="T T T" energy=-1064.0782958 free_energy=-1064.07831088 config_type=crystal 
Hf       1.64652958       1.91804610       2.55695954       2.68847898       1.76116782       2.75676226 
Hf       3.75664521       7.20791701      10.61708160      -5.75336164      -0.67316195      -3.95132950 
Hf       5.19812953       5.07296095       2.43860063      -1.53680026       1.58412582       1.70039923 
Hf       9.17936299       5.11999079       8.07805934      -4.26194538       1.52052051      -0.07894466 
Hf      10.88419383       7.24599349       5.32580894       2.51454559       0.15633439      -1.01258888 
Hf      10.65920590       0.08253242       0.13834621       0.95815244      -2.28526136       0.21549718 
Hf       7.35406435       3.82034109       5.25464066      -0.46383652      -0.45158407       1.21450705 
Hf       7.44343486       7.54927113       5.30260370      -3.17526483      -1.52903002      -3.30629803 
Hf       1.63995773       5.60949775       2.35138341      -1.80312893      -1.22382834      -0.17255184 
Hf      10.65866095       3.64286222       5.34974459      -0.43795667      -3.24512929       0.21425129 
Hf      10.51756542       3.44466248      10.34956922       3.92522651       0.57506862       1.64346765 
Hf       1.87852190       5.39687641       7.63685572       0.99805112       1.02003521       1.01497885 
Hf       9.17063588       9.06818314       7.94142525       0.02245491      -0.83278957      -2.68147920 
Hf       1.69718695       1.68318419       7.79583303       0.89562971       0.94722524      -1.37573124 
Hf       7.35892082       7.20523487      10.33669113      -3.43291926      -0.76196935      -2.13613146 
Hf       8.91763149       8.81277402       2.50042070       0.23302781       1.64705718       2.67875973 
Hf       5.26152544       8.87885897       2.62850695       0.40372171       3.34512738      -2.13945439 
Hf       5.33078850       9.13000676       7.74910232       2.36327251       0.24639739       2.21520913 
Hf       0.22940560       0.00783781       5.15216381      -5.70773740      -1.43966476      -1.76803078 
Hf       3.48729863       3.19098825       5.25710871       3.30047084       4.01320550      -2.44864990 
Hf      10.91409111       7.27066005      10.36600867       1.39426722      -0.33546955      -0.19257608 
Hf       1.98444538       9.06549487       7.79266357      -4.56471626      -1.51699738       2.62353693 
Hf       7.10815792       3.59404163       0.19622654      -2.03046777       0.14747431      -1.03773716 
Hf       8.87112261       5.43009752       2.58167196      -0.89878688       0.47404267       0.50812138 
Hf       3.74743374       7.12571458       5.10755316      -1.93770744      -2.14055737      -2.25114197 
Hf       3.47299218      10.65818349      10.44286357       0.56989726       1.45479015      -0.11940325 
Hf       7.17872541      10.82141233       5.49891368       1.87881902       1.85964351      -1.29191017 
Hf       5.27343570       1.47130830       2.53009591      -0.49328599       0.14717423      -0.23986975 
Hf       5.50946848       1.97041721       8.06743406      -0.25582217      -0.22945465      -1.37375343 
Hf       1.82202356       9.13926753       2.59762854      -2.59361744      -1.19175227      -0.85771330 
Hf       3.57626826      10.92818754       5.17291237       1.68725383      -0.18498850      -0.38004279 
Hf       3.32314434       3.51349739      10.25989809       0.25246540       1.32929364       1.90013219 
Hf       7.05297573      10.83668149      10.58712822      -0.37816133       0.87608725      -0.79020162 
Hf       9.11140303       1.67118431       2.65519637      -1.11421806       0.20022344       6.00410379 
Hf       5.50078738       5.65516696       7.73705881       1.51534776      -4.94239913      -2.33656774 
Hf       9.22901427       1.47365738       7.97608727      -1.21768924       0.78939444      -4.28212255 
O      10.51828194       8.91268924       1.44231820       1.68067346       0.74530591      -1.54580059 
O       5.42258751       7.38479922       3.65577376       0.44948536      -1.52654916      -0.05950188 
O      10.76593783       5.31052823       4.46351941      -0.23349670       1.26793730      -0.52589725 
O      10.87553662       1.85709908       4.11830660       0.54763337       1.60161044      -0.75481259 
O       1.41885185       0.00118599       3.49759607       1.64896537      -1.88617440      -0.58585763 
O       1.54435853      10.52647396       0.83359293       0.85023522      -0.52139538      -0.59731053 
O       1.56152176       4.19512822       0.60714921      -0.63734901      -1.78595020      -1.25429796 
O       0.11087976       1.46580346       9.27063570      -0.83286430       1.23406449      -0.03222032 
O       2.10508179       0.00783453       8.79220347       0.01685937      -2.57172731      -0.00243378 
O       1.84824170       0.03957833       6.26585343       1.45091630      -0.33789998       0.49005394 
O      10.73209475       1.54496297       6.50896927       0.99762802       0.73822655       3.43144987 
O       1.93954868       3.85146096       3.15201815      -0.42463758      -1.46113485       1.46979672 
O       1.79461427       7.49970630       0.55350379      -2.18074572       0.72161711       0.86521776 
O       1.03187552       7.06191155       8.45210640      -0.71560087       3.59924892       1.61702479 
O       0.36024665       1.69307801       1.27839181      -4.45798075       0.79786857      -3.37927995 
O       3.79731290       5.06383855       6.84399216       0.16448605       0.10714648      -0.75552015 
O       3.75547150       1.86540581       6.66323539      -0.99948831      -2.16760488       1.61480083 
O       5.33322720       3.98219704       8.88921254      -0.71854405      -2.12145864      -0.50211879 
O      10.59246590       5.95597829       1.82136057       0.76081758       0.10994115      -0.70354235 
O       2.00846279       6.85834600       6.18922429      -0.40259429       1.00724906      -0.69126659 
O       0.26247651       8.94424745       6.71807720      -0.80281959       0.37585577       0.57947285 
O       3.12933160       1.60056894       3.95707169       2.94910490      -0.78750761       3.09840789 
O       5.26799506      10.78255074       3.80819436      -0.50607795      -0.45930901      -0.61931118 
O       5.29827865       0.18664390       0.95568358      -0.80945448      -0.88886118      -1.11770888 
O       3.26856812       1.85796066       1.40701132       0.85163143      -0.30550915      -0.51796109 
O       3.73339055       1.71948307       9.54405556       0.10345183       0.13178229      -1.08465981 
O       5.28234994      10.78881462       8.93467511       0.33855009      -0.51742947       0.00026552 
O      10.40370004       8.99180942       9.44904463       2.17515185       1.39440928       1.77213291 
O       3.87123270       5.35872586       4.23499623       0.51990814      -0.48596534       0.20201188 
O       5.06381466       3.28051356       3.18286606      -0.24887732       0.65209419       2.45081911 
O       5.12630133       3.81580224       0.77194919      -0.98720515       0.22809122      -0.87297608 
O       9.05890801       7.15073151       6.05247232       3.46176763      -0.23721308       3.25628058 
O       2.78774050       5.89114167       9.27556128       3.66864332      -1.16070268       2.22524992 
O       5.76216106       3.09056949       6.10728660      -1.50054164       0.00640909       0.45759716 
O      10.50553026       5.31912157       9.71918832      -0.58195138      -0.68867110       1.02964802 
O       9.24581683      10.56923370       6.06394484      -0.18504317      -0.11833337       1.32531457 
O       1.74267582       3.09068409       5.99393767      -2.80198864       1.43680208       0.76633397 
O       6.94833168       2.18125732       1.72836862       1.56065136       0.02744231      -0.41352727 
O       9.03826746       1.01506880       0.91048907      -1.05557556      -2.82760864      -5.52661301 
O       7.69808769       9.19703173       4.22232295      -1.61105909       0.62768246       0.32369839 
O       7.43171336       1.41486529       4.26635241      -0.44404186      -0.42153303      -0.38055922 
O       3.61008012       9.09279481       6.94036956       0.10462982      -0.47357194      -4.73051702 
O       8.89640972       7.14010233       8.61250385      -0.55602265       0.54175569       1.54919232 
O       6.71929650       1.68473392       9.62373490       1.61110950       2.02480985       1.58242156 
O       7.29630323       9.07465989       9.60972344      -0.67109696      -0.15594382      -0.58586376 
O       5.23690259       7.15766042       8.75178829       1.06465282       2.55721304       1.97744360 
O       8.88264350       7.12571612       3.71909167       0.28210975      -0.44003710      -1.60667515 
O       5.47605586       7.35757323       6.02409820       0.53473736      -0.27788328       3.07421129 
O       7.30422989       9.80137433       1.70787123      -0.36144376      -1.19759924      -0.25250292 
O       8.51051091       7.23539061       1.12475111       2.28822301       0.11075710       2.04256801 
O       7.28281256       5.40562883       9.60560353       0.77282436      -1.44818462      -0.84302363 
O       3.74533358       8.83260526       9.30865850      -2.09141607       1.87017053       1.09004537 
O       8.87049998      10.80159994       8.97557955       0.32978914       0.85303455       1.44170991 
O       7.45970441       5.14564273       6.92852492      -3.06879474       2.02029090      -0.46151216 
O       5.25428724      10.78888024       6.33533509       0.44037586      -0.70179642      -0.17826238 
O      10.84407274       5.24158804       7.28604409       2.49475739      -1.31144476      -3.93677802 
O       0.13123546       8.79135669       4.14760214       0.04392074       1.28760190      -0.33228973 
O       1.82624381       7.04528954       3.65628959      -0.11021477       1.40927726      -0.52325515 
O       3.43708926       8.89710630       3.86844613       0.26857145       1.85939652       1.97993169 
O       3.35494796       5.94870482       1.55273895       3.46792205      -1.38656066       0.13132346 
O       5.29250648       7.40374182       0.91227155       7.00944934       1.21987953       2.35416945 
O       9.58915310      10.84247250       3.26211588      -0.23462095      -0.67477007      -0.73270018 
O       9.03066597       3.26600781       8.91627228       0.16074110      -0.86738405       2.60343315 
O       6.89715928       5.31210085       1.40470993       2.71645231      -0.44849360       1.57116620 
O       9.15891022       3.77073211       1.03584399      -1.51660865      -0.13645197       1.21002717 
O       8.82409190       3.31780241       3.99699602       2.09745916       2.84945448      -2.12413980 
O       6.93468522       5.44434645       4.13387915       0.75096063      -0.87745036      -0.14345313 
O       3.61226332       9.22273374       1.40982790      -0.19274678      -0.20314410       0.05480048 
O       9.01524682       3.55546676       6.58099148       1.38468240      -0.90852885      -1.67206566 
O       7.38726520       1.26058104       7.12460531      -0.34782433       0.05473169       0.51500637 
O       2.07191830       3.55632395       8.61301298      -1.27046797      -2.16720994      -0.44489749 
O       7.36915844       9.00220458       6.76451913      -2.02618406       0.37739258       1.88354146 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.004151626165084533 -0.0013079185483019127 -0.0005876154212822726 -0.0013079185483019127 0.005691854481964989 -0.004963578931784148 -0.0005876154212822726 -0.004963578931784148 0.016399729149012436" pbc="T T T" energy=-1064.63411298 free_energy=-1064.63413749 config_type=crystal 
Hf       1.73752924       1.85349456       2.64340870       0.60219499       2.01323855       0.22743966 
Hf       3.65512297       7.22629428      10.50189130       1.29811102       2.14452139       3.11814861 
Hf       5.13388749       5.07015107       2.45691982       6.23224023      -1.93221362       1.89193506 
Hf       9.12707668       5.11479063       8.13620571      -1.20527051       1.16239604      -0.65242218 
Hf       0.06893406       7.33308033       5.30379766      -3.64693670       0.35183778      -1.81897523 
Hf      10.73289826       0.15104829       0.09499392      -2.14941850      -3.50723937      -0.90238014 
Hf       7.27612841       3.93084616       5.21348283      -0.11219541      -1.39954478      -0.92729188 
Hf       7.37335721       7.46878452       5.28523284      -0.33397510      -1.93628161       1.08973765 
Hf       1.59149376       5.66441568       2.44070103      -0.90472690      -2.40157307      -1.01096939 
Hf      10.68977073       3.45653846       5.38589712       0.51632566       2.50655281      -2.16400923 
Hf      10.60804620       3.45995542      10.38430852       1.44343148      -3.34770793       2.82038889 
Hf       1.82985447       5.40794482       7.75928224       0.68358107      -0.95871629       0.60745671 
Hf       9.14043807       9.06685133       7.74750106       1.15011213       0.20772700       3.35504750 
Hf       1.79218149       1.65133707       7.73592905       1.55397617      -0.56344793       0.40996699 
Hf       7.30724334       7.10875349      10.32248419       0.28091606       1.48921485       0.39718611 
Hf       8.83907379       8.82153335       2.67386610       1.85827521       1.73487415      -1.30331078 
Hf       5.30652447       8.80336315       2.62533813       0.12406381       0.85314092      -0.93260603 
Hf       5.34064759       9.12809274       7.78274013      -0.16694330       0.58394632       0.91678825 
Hf       0.28835042      10.93020684       5.14979546      -2.98519496      -1.48632851      -0.51522420 
Hf       3.47468609       3.41391622       5.37561813       0.35225755      -0.63448868      -2.37432311 
Hf      10.88307478       7.20141583      10.30006753      -1.29234955       2.73262369       1.62209173 
Hf       1.98205127       9.05856301       7.77441539      -2.05887457       1.92168660      -1.42037002 
Hf       7.18097774       3.52135273       0.11895977       0.68238540       1.68743216       1.48462479 
Hf       8.80373280       5.36364664       2.56003366       3.19242638      -0.35095251      -0.12532245 
Hf       3.67190209       7.12578711       4.95058515       0.79226639       1.28588760       1.62949153 
Hf       3.56258947      10.76688476      10.45344559      -3.00757748       0.40106417      -1.93660340 
Hf       7.21807377       0.04746183       5.44386620      -0.72368517       0.05647995       1.30994370 
Hf       5.14364074       1.49628141       2.39270439       1.94001388       2.16158378       1.44075938 
Hf       5.55370026       2.04420225       7.97469200      -2.90334343      -3.00336223       0.26867254 
Hf       1.67544597       9.07370563       2.57915002       0.50018201       0.10528211      -2.49836577 
Hf       3.67175988      10.89406825       5.14195317       1.50148260       0.02301108       0.24268220 
Hf       3.32253990       3.58736515      10.39651114       0.25519737      -1.44318816      -1.34080035 
Hf       6.93031038      10.90150683      10.50044597       3.81556810      -0.80380832      -0.62733219 
Hf       9.08784675       1.67799609       2.76745083      -1.40048886      -0.87897679      -2.94031675 
Hf       5.54236387       5.53829437       7.75728643      -1.13231592       2.02546314       1.35419149 
Hf       9.14455819       1.46250187       7.89646745      -0.01921187      -0.93661898       1.75105818 
O      10.28917259       9.21498040       1.19630320       0.20604604      -1.10021833       2.24232397 
O       5.51368238       7.30257926       4.06785276       1.57425462       1.63703872      -1.69045085 
O      10.81029648       5.29142743       4.30601708       1.20823594       0.71965957       1.52918838 
O       0.17906497       1.82676170       4.17383866      -0.64393449      -0.72648571      -0.26889594 
O       1.75466092      10.82148837       3.44623504      -0.08174212       2.24941342       0.92002015 
O       1.72290999      10.26531601       0.77412027      -0.31466328       2.37220973      -0.10083328 
O       1.67650618       3.99754640       0.75699802      -0.82639133       0.36387506      -0.00929732 
O       0.22313417       1.52727747       9.28333363      -0.56729962       0.96094202       1.31030781 
O       2.47477952      10.87947990       8.57725533      -1.12055543       0.01357227       0.00391441 
O       1.94158726       0.02477787       6.20566331      -1.20277238      -0.83486402      -1.16486048 
O      10.90515824       1.28856145       7.02452509      -0.92634831      -0.11383771      -3.41168859 
O       1.87763829       3.73726909       3.49840801       0.67045857       0.09316900      -0.64171742 
O       1.68977401       7.31095567       0.82661053       0.89189692       0.26388384      -0.41846130 
O       1.12012139       7.30474242       8.66202234       1.50295029      -2.99660733      -0.94784288 
O       0.05974033       1.88550777       1.19610252       1.57915567      -0.35047465       2.77805559 
O       3.73358020       5.08231409       6.84780850      -1.63630564       0.13985406       0.86649164 
O       3.63148102       1.67568218       6.53969495       0.24521344       1.84608788       1.94514397 
O       5.62727912       3.82635265       8.72840863      -1.19220955       0.58691427      -0.56883976 
O      10.85477149       5.83329541       1.52412377      -0.63653389       0.08354676       0.89540716 
O       1.78670525       6.86681893       6.10430932       1.41130812      -1.04117803       1.64525329 
O       0.04861802       9.13425812       6.74202721       1.43015638      -0.32278036      -0.70205022 
O       3.49136452       1.74303507       4.12346942      -1.32479760      -1.42002408      -1.76687648 
O       5.24086187      10.76697350       3.57901920      -0.04027604       0.18572374       0.20657711 
O       5.19399868       0.06368087       0.82889831       0.65362094       1.22101126       1.54645848 
O       3.43736305       2.02632765       1.32207892      -1.77921246      -2.05642033       0.86650247 
O       3.78867037       1.85325057       9.29983728       0.36504702      -0.07891151       1.26345799 
O       5.53354177      10.84196447       8.95600146      -1.27133063       0.06497276       0.04053110 
O      10.62060715       9.13665256       9.47538372       0.43605972      -0.03709189      -1.31391549 
O       4.32553201       5.23908174       4.46499078      -2.10830881       1.35707827      -0.56334224 
O       5.12323990       3.28507322       3.38251599       1.00885973      -0.07146247      -1.17008645 
O       5.02863199       3.79061692       0.73651785       1.68696923       1.03920913       0.13442199 
O       9.28107981       7.27789145       6.70115945      -0.06174714      -1.08880519      -3.19447354 
O       3.39068227       5.67706230       9.43358018      -1.26651684      -2.14969299      -1.09766664 
O       5.45877156       3.20966132       5.80656785       2.36933041       0.27361533       2.11110450 
O      10.23457589       5.22822785       9.79768975       1.55307825       2.10118689      -1.32069863 
O       9.05864934      10.70018419       6.40905316      -0.48412726       0.93943015      -0.94211401 
O       1.48830500       3.03299429       6.16691912       3.16028269       0.99594697      -0.92545501 
O       7.18994643       2.23792789       1.71720827      -1.95623855      -1.01472437       0.41592610 
O       8.84903291       0.67747522       0.62002645       0.41480409       0.11456686       2.62524934 
O       7.74113556       9.26209120       4.59130486      -0.75761612      -0.98433534      -1.15698965 
O       7.48158168       1.11869350       3.84113874      -0.47419384       0.85763678       2.36045985 
O       3.52847161       9.08724680       6.35600021      -0.78186855      -1.46978705       2.81577983 
O       9.00729605       7.09376798       8.96571647       0.58824862       0.82421517       1.16428072 
O       6.84392057       1.94376257       9.78682213      -1.76245685      -3.71240325      -1.89018392 
O       7.09497741       8.99728785       9.56034387       1.05110587       0.33542582       1.55428992 
O       5.45211360       7.35879110       9.19455385      -1.55898340      -1.83390720      -1.55430500 
O       9.15182716       7.12953056       3.96486327      -0.86361136       1.54595402       0.42390575 
O       5.37329526       7.47843325       6.54827276      -0.45246113      -2.64296505      -1.00166796 
O       7.03337336       9.54683983       1.82234343       1.48637142      -0.39066458       0.45551141 
O       8.64639336       7.06350105       1.51275021      -0.81266389       1.89553061      -2.25426028 
O       7.37078726       5.31367567       9.29358020      -0.39110056       0.11899205       0.30702485 
O       3.05225231       8.95789468       9.42625871       3.13968527      -3.14014856       1.46157759 
O       8.88601631      10.86768226       9.14287395      -0.08114267       0.50317390      -2.69265493 
O       7.10934895       5.46420979       6.55108169       1.12436770      -0.18024199       0.08810982 
O       5.27594748      10.92838157       6.46894375       1.66808191      -1.09782911      -1.94902273 
O       0.01803511       4.53348565       7.24299302      -0.12710824       2.73185024       0.90958030 
O       0.10954981       8.99994797       4.08735803       0.88885970      -0.94509371       0.88146508 
O       1.94938454       7.32379720       3.58003470      -0.34408772      -2.57112870       0.43848528 
O       3.54908281       9.01856605       3.96161569      -0.08114488      -0.54310898      -0.21214036 
O       3.68811981       5.90340943       1.73368280      -4.64622444       1.99151488      -1.86782014 
O       5.90603021       7.23778920       1.07085357      -3.15122572       0.48005110       1.61677842 
O       9.61249267      10.75669875       3.36960324       0.14200692       1.19475027      -0.11206145 
O       8.90858030       3.12464967       9.22142343       1.07102167       1.14380531      -1.42005159 
O       7.16608164       5.03405433       1.58314608      -2.81102886       0.04948698      -0.64562697 
O       9.12349900       3.76000169       1.12575108       1.16878686      -0.60744631      -0.70082203 
O       9.07506088       3.48564603       3.79655625      -0.88341235      -0.59967774       0.76273323 
O       7.36898774       5.45453181       3.96490260      -1.69059425       0.15581854       2.10958659 
O       3.71024973       9.08215884       1.45375958       0.19143296      -1.17076500      -0.85513407 
O       8.97569314       3.44244565       6.40829287      -1.92085287       0.23388250       0.72672993 
O       7.26581816       1.51414002       7.17439441       0.86568888      -0.34298633      -1.85777884 
O       1.97416087       3.36639392       8.70081713      -0.23246858       4.15052077       0.65927551 
O       7.10953553       9.00390440       7.10982515       2.90553395      -0.07121341      -2.16245943 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013082835698559708 -0.0005917850489708008 0.0011645886700483304 -0.0005917850489708008 -0.03471506572866352 0.008863144047695245 0.0011645886700483304 0.008863144047695245 -0.008018662445333318" pbc="T T T" energy=-1060.34332096 free_energy=-1060.34332198 config_type=crystal 
Hf       1.84501275       1.86020796       2.74778240      -1.26410124       0.38434805       1.05165822 
Hf       3.59156974       7.24224983      10.48544643       0.61986928      -1.90167572       1.86587552 
Hf       5.19719498       5.04956321       2.50725855      -0.46817306       3.32753682      -1.77225713 
Hf       9.05000593       5.13251580       8.14973441       2.55871427      -0.54809228      -2.75510641 
Hf       0.12448470       7.41178999       5.23936658       0.17820172      -2.63489599       1.02692769 
Hf      10.74173745       0.09586971       0.03631972      -0.22162786      -2.50429854       0.61886058 
Hf       7.19871967       3.98603668       5.15660025      -0.45049486      -2.27540579       0.04139577 
Hf       7.30253774       7.32228319       5.29680378       1.26269535       2.07513023      -0.77485974 
Hf       1.51177966       5.62543851       2.49599170      -0.21420175      -2.22611714      -0.44837171 
Hf      10.72269297       3.33556384       5.36583594       0.32592795       4.17764829       1.02089759 
Hf      10.77004710       3.40583157      10.50857630       1.12627158       3.07868210       1.75264934 
Hf       1.82709531       5.40635981       7.89803140      -1.00486762      -1.96609173      -3.87021485 
Hf       9.16038128       9.06918233       7.63534151       2.83220919       0.29479615       1.35095525 
Hf       1.91715954       1.62710963       7.69243338       0.08813171       0.50489253       0.33406006 
Hf       7.23716307       7.06320994      10.34598353      -1.17882572       1.65357981       2.79251694 
Hf       8.81305877       8.89108455       2.83142243       1.69085136       1.42170004      -0.79984391 
Hf       5.36386280       8.77872902       2.57395786      -0.96004495       1.08494970       0.68116246 
Hf       5.37961852       9.12208403       7.83772012      -0.05772261      -3.66517862      -2.16463200 
Hf       0.21227612      10.85302094       5.10626567       0.76714189      -0.45108472      -0.68984940 
Hf       3.50696104       3.64332818       5.41007033       2.31841695      -0.58886746      -1.08969313 
Hf      10.84574320       7.18268502      10.29919201       1.84446815       0.59139577       2.55168965 
Hf       1.89091609       9.06791461       7.73347928      -0.93724411       0.14451857       1.11554017 
Hf       7.25898293       3.46770766       0.06796980      -1.23518858      -1.06562710       0.95896347 
Hf       8.82127369       5.30779876       2.52950951       0.26189514       0.82631697      -1.16423976 
Hf       3.60572642       7.16153522       4.84805590      -0.37280822       3.58484208       5.53352033 
Hf       3.57522897      10.89675905      10.41746217      -1.62480349       0.14960278      -1.12461758 
Hf       7.25924445       0.21855478       5.42025664      -0.56456035      -5.72427329       1.17291076 
Hf       5.06990653       1.58548735       2.30805578       0.37248117      -0.13164676       3.63262088 
Hf       5.51648952       2.01784058       7.86891772      -1.03838510      -2.11479357      -0.83318046 
Hf       1.53965829       9.01049553       2.48721130       1.60412015       1.02533979      -1.69365663 
Hf       3.82768457      10.85481970       5.10242339      -1.25522044      -1.07794545      -2.73459696 
Hf       3.33239350       3.62987235      10.51527778      -0.19998820      -1.93523853      -0.48449376 
Hf       6.92201669      10.93312004      10.40700026       2.24896899      -1.21329586       2.35702317 
Hf       9.02279452       1.65522262       2.80989222      -0.64155260       0.70632508      -3.07254026 
Hf       5.54251211       5.47794226       7.81321815      -2.60040711       1.08395579       0.27621745 
Hf       9.05763767       1.44976355       7.83301891       0.45943319       3.69572175      -1.98303082 
O      10.41033467       9.29112361       1.52691272       2.65880365      -0.40360923      -0.59578458 
O       5.85431406       7.43667895       4.02041340      -3.03641143       0.07207951       0.23951769 
O       0.20974320       5.53927789       4.52748197      -0.92043480      -2.49512121      -1.21411958 
O       0.18608284       1.75621722       4.21930676      -0.37303019       0.55341753       0.86155640 
O       2.01852851      10.95198660       3.55216673      -2.09393455      -1.36705350      -0.88679574 
O       1.79571568      10.69955576       0.68021890      -2.24347265      -1.07531558       0.35245597 
O       1.57147233       3.83194657       0.83451521       0.24868838       0.79163959       1.46781072 
O       0.16208306       1.84781946       9.51444051       0.17697169      -4.10374018      -1.47575098 
O       2.54333636      10.81891973       8.50181653      -0.57740717       2.19471404       0.46002669 
O       2.05677854      10.78237161       6.10539751      -1.12062298       1.70118115       0.22022344 
O      10.91764721       1.17820495       6.76930834       0.15414809       2.40261826       1.17870886 
O       2.02757389       3.67479370       3.68997257       0.44863540       1.06736676      -0.98805207 
O       1.59207410       7.37254987       0.99527915      -1.34140596       1.08072457      -0.28133550 
O       1.49824724       6.98223733       8.82438585      -1.23985299       3.86641268       3.16982983 
O       0.06368854       1.93222492       1.72286024      -1.01565846      -1.01680489      -1.76047544 
O       3.47014493       5.04539259       6.97823781       3.26079033      -1.17913735      -0.83197910 
O       3.75375173       1.85377941       6.93259529      -0.98761565      -0.44757175      -1.88462375 
O       5.59261806       3.70084521       8.53014813       0.57057458       0.24194856       2.55018429 
O      10.72602523       5.75245120       1.52643643      -0.82413126       0.07308634       0.74251185 
O       1.82952809       6.74497901       6.28765670      -1.12996215       1.49980685      -1.44509992 
O       0.15463112       9.21513575       6.58965188      -1.78573291      -0.45142646      -0.58175419 
O       3.67196990       1.63297055       4.06504766      -0.02502449       2.19513183       1.03181630 
O       5.18445359      10.80064907       3.40758884       0.37632826       0.28057755       0.14850934 
O       5.25147265       0.16904253       0.93581511       0.50259303      -1.91843356      -2.32753083 
O       3.19036627       1.58671125       1.34393076       2.05977786       1.31952406      -0.60998839 
O       3.87529157       1.95950646       9.47306574      -1.40261148      -0.84341221       0.52849371 
O       5.25225852      10.72787866       8.90289122       0.14346184       0.20762255       0.73156391 
O       0.03176232       9.63963846       9.02707822      -0.29403584      -0.77580058       1.71611252 
O       4.17292413       5.42746490       4.43427733       0.40489288      -2.86703073      -1.54430033 
O       5.48387921       3.38936547       3.40131890       0.09747858      -0.61427274       1.14280421 
O       5.26101007       3.99830225       0.65782605      -2.51373936      -2.11067834       0.20664123 
O       9.59754200       7.12488456       6.63258316      -1.73177589       0.41007923       2.16206601 
O       3.87860598       5.13489467       9.59149215      -1.25062988       4.42073346      -1.50944735 
O       5.58640480       3.43543808       6.17655920      -1.18451827       0.64453217      -1.41140856 
O      10.47141316       5.41243689       9.56503051      -0.33581164      -0.97712931       0.22405676 
O       8.89420756      10.89285904       6.46197049       2.50356169      -1.82106778      -0.89660710 
O       1.82841956       3.29684150       6.23917623      -3.26699407      -1.48723902       0.42225680 
O       6.90901224       2.00345338       1.69917564       2.27025578       0.57367235      -2.17731452 
O       8.82250711       0.28923413       0.84625919       0.21869516       1.30094003      -0.53093999 
O       7.52470438       9.24742374       4.54957126       0.88319820       1.04064271       0.21049393 
O       7.41588567       1.30367953       4.02914927       1.07210119       4.48576568      -3.40044525 
O       3.32741893       8.70004982       6.52246725       2.40736002       1.34678302       0.19538664 
O       9.09371709       7.58464302       9.58230317      -0.77629478       0.22910327      -3.43659188 
O       6.65263494       1.71617271       9.55333882       2.11352331       0.95881207       0.76351291 
O       7.11914504       8.98758117       9.88217734      -1.49082149       0.81524557      -0.83101338 
O       5.37002150       7.07360303       9.20467510       0.57201786       1.58697893       1.13037875 
O       9.20332540       7.45094585       4.14444990      -0.29707215      -1.35220695      -0.54974989 
O       5.05861407       7.11461714       6.84345072       0.41973876       2.39793558      -2.59843304 
O       7.16668049       9.22704602       2.01831009      -0.84314210       2.02827591      -1.61443807 
O       8.53955571       7.20645964       1.30975023       0.27550039      -1.87361067       1.46191884 
O       7.29718332       5.23679829       9.13506333       0.11778236       1.74793057       1.93717876 
O       3.03156114       8.80867045       9.49764435       1.53084539       0.90184652      -0.74111940 
O       8.85061572      10.90008671       8.85149128      -1.11567423      -1.87151089       2.65436652 
O       7.01140559       5.68000629       6.36417954       1.21015470      -2.13298420       2.97823885 
O       5.51970708      10.59067097       6.12719430      -2.04699014      -0.71839169       2.00062839 
O      10.68995227       4.41817879       7.20471140       0.87115377       0.56702936      -0.50015826 
O       0.39012070       9.01774610       4.11105273      -0.40915553       0.79164648      -0.72720789 
O       1.95010719       7.15528987       3.68584958      -0.81698033       0.83879568      -0.99604386 
O       3.57714353       8.98333199       3.97467544       0.48859954       0.07084036      -0.54209139 
O       3.35216832       5.97766240       1.64832130       1.32767102      -2.65437159       0.72569076 
O       5.79015255       7.14317198       1.50290255       0.01930702      -1.97991048      -2.60736325 
O       9.65327704      10.93222537       3.45389281      -0.13087786      -2.07026896       1.44883737 
O       9.00278470       3.33490078       9.20831479      -0.97321832      -0.91988699      -0.59883581 
O       6.96218741       4.77765501       1.66766119       5.16122954       1.44705821       0.06088511 
O       9.15611600       3.63589048       1.11653500      -1.52002317       0.28357247       0.14460951 
O       9.12895586       3.57621906       3.80008752      -0.00621676      -0.22836290      -0.02501439 
O       7.44553808       5.61768199       4.10824158       0.71900442      -0.37474650      -2.44297775 
O       3.76480502       8.66840517       1.26420199      -0.06068123       1.99399823       0.54391398 
O       8.65174219       3.43614189       6.35583121       2.21153531       0.63305449       0.26825338 
O       7.22981170       1.68687987       6.76886788      -0.02146419      -0.78414287       2.37945851 
O       1.66665751       3.86936415       8.93089799       0.12860075      -4.85666570       2.41047494 
O       7.27543369       8.92104472       7.04609675      -0.80798579      -1.32070932       0.94587304 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018585046063855287 -0.0002980648162008182 -0.0018979857404744875 -0.0002980648162008182 -0.012866957039796545 -0.0068922529992268885 -0.0018979857404744875 -0.0068922529992268885 0.01355368437417159" pbc="T T T" energy=-1059.73480917 free_energy=-1059.73496672 config_type=crystal 
Hf       1.80771820       1.92701359       3.08884341      -4.05163373      -1.50178148      -2.50984655 
Hf       3.42704633       7.23696926      10.62359834       0.29734653       1.35785717       0.51154443 
Hf       5.41523713       5.25891221       2.38371651      -0.93847161       1.46166795       3.16839310 
Hf       9.12631732       5.17205600       7.77316489      -0.70169311       0.46116912       2.16830841 
Hf       0.07828445       7.11248083       5.16807362      -1.29619673       1.58080788      -0.08699938 
Hf      10.62363539      10.63665177      10.57418093      -0.49460601       1.07926008      -3.30415794 
Hf       7.20286893       3.75472353       5.02996390       0.36088768      -1.34847793       0.03341573 
Hf       7.12578536       7.14631263       5.44433727       1.94902011       0.83073926      -2.74582902 
Hf       1.42399339       5.21345314       2.78434542       1.79898024       5.30862246       1.23650535 
Hf      10.81330292       3.62923624       5.53243393      -0.35418841      -2.93946974      -2.25137879 
Hf       0.12277513       3.21980296       0.22897640      -1.00836628       1.64273537      -0.80341905 
Hf       1.63460310       5.21799725       8.14906670      -0.93551394       0.26625642       0.41002281 
Hf       9.36524687       8.94597126       7.67857816      -1.66254215       1.28522526       0.97529247 
Hf       2.01433105       1.79928975       7.50912564      -1.42644500      -0.48907502       1.29153861 
Hf       7.10344136       7.36940549       0.13633159       1.83149251      -1.44980823      -0.21623802 
Hf       8.83825264       9.12454475       2.99348035      -0.63369039      -5.64306494      -2.03212672 
Hf       5.34995427       9.02675500       2.32220479       0.98828489      -1.73894178       1.17697293 
Hf       5.38645440       8.77886466       8.01427769       0.69394558       3.55774326       0.30445355 
Hf       0.05331376      10.76545095       4.94356363      -0.47642023       0.39270451       1.46243360 
Hf       3.68424742       3.98299058       5.29968881      -0.44153152      -2.68816421       1.88670172 
Hf      10.74145282       7.18443063      10.57812248      -1.46831164      -1.38156763      -2.55855386 
Hf       1.70489088       9.14900545       7.77719678       0.02697179       0.87238960      -0.60278814 
Hf       7.36471698       3.30778063      10.38962323      -1.46148975       4.21643623       1.34987765 
Hf       8.92450441       5.19189085       2.29637462      -0.75225455       0.90081372       2.73802990 
Hf       3.57068070       7.53118968       5.23534934      -1.68932709       0.10140586      -3.61236831 
Hf       3.39317980       0.12257189      10.24098049       1.11533651      -0.73260161      -1.44266815 
Hf       7.39780345       0.07498429       5.08125489       0.36879508       2.97858993       2.22618049 
Hf       5.28041665       1.78697005       2.41978145      -0.04684439      -1.40041666      -2.04734366 
Hf       5.37127388       1.89839542       7.90118790       0.72056201      -2.86419100      -1.73802080 
Hf       1.65838452       9.07944438       2.16268274      -2.36614740       0.68774563       1.28270001 
Hf       4.03759353      10.77471567       4.76140925       0.38229022       3.44594235       4.73739712 
Hf       3.33238572       3.72680424       0.21176954      -0.18438579      -0.33794635      -1.17498742 
Hf       7.26785499      10.85146968      10.47287923      -2.31019746      -3.48918082      -0.93570858 
Hf       8.96290880       1.77031562       2.34368196       2.18788303       0.27049603       3.55073592 
Hf       5.32866742       5.29249684       7.98904700      -0.29469085       1.32502009      -0.39840002 
Hf       8.94761861       1.75006290       7.82803529       0.67198196      -3.92621780      -0.74562551 
O      10.80087695       8.79390429       1.09910269      -1.71567759       0.95010398       1.03836565 
O       5.57147813       7.23640239       3.53208345       0.00330166       2.53474718      -0.36050161 
O      10.88699955       5.42290852       4.17663409      -0.23767098      -2.23174604       0.92011986 
O       0.21875747       1.76489590       4.50349593       0.31949553       1.82492265       0.10126563 
O       1.62304255      10.91579794       3.57364794       0.55122064      -1.62237666      -1.26278777 
O       1.51518566      10.33310352       0.42454564       3.46736493      -0.17570584       2.43533292 
O       1.77275859       3.85142392       1.43732576       0.62832012      -4.04443822      -2.25524553 
O      10.45932300       1.66201227       9.95256938       0.07249722      -0.83936080      -1.20251867 
O       2.03761430       0.11733383       8.67867235      -0.74620602      -1.80029676       0.67272802 
O       1.45617511       0.25932140       6.42211960      -0.23103156      -1.79263203      -1.60021152 
O      10.71782313       2.34348347       7.24488509       2.37992038      -0.04958345      -0.46022319 
O       1.94397775       3.72834323       3.93744056       0.54347644      -1.13272074       1.01001257 
O       1.58101686       7.03083946       0.98100111       0.19046316       0.97898329       0.11039855 
O       1.15218336       7.22666963       8.83480939       1.34108517      -1.23928496       0.10648784 
O       0.21676435       1.53008867       1.76814988      -0.87737082       1.49845064      -0.54871521 
O       3.36161184       5.29773480       7.00655198       3.15137292      -0.86773391       0.51720578 
O       3.72022966       1.61160306       6.55253042       1.81670033       0.67536711      -1.21346147 
O       5.65013026       3.70373880       9.07489820      -0.47921209       0.04813724      -1.64903257 
O      10.82553508       5.15239283       1.60011028      -1.73070516       1.10453888      -1.45254415 
O       2.01488882       7.26281610       6.26952649      -2.61534809       0.63801687       3.07208341 
O       0.00002947       9.09006315       6.23518441       2.02030785      -0.75889139       1.44651581 
O       3.58701313       1.46641842       3.63544920       3.06251078       0.12802673       0.88271236 
O       5.87755404      10.81532069       3.35662353      -1.95235441       0.89636374       0.28967456 
O       5.25810442       0.40350247       0.75648464       1.27027261      -1.60089731       0.26656442 
O       3.22709922       1.53984641       0.99223086      -1.40041205       3.57192840       2.28426061 
O       3.73694391       1.73151757       9.02182229       0.09815414       2.41784195       1.00576844 
O       5.37690910      10.66088403       8.67758947       0.20699143       2.55145029      -0.45337060 
O       0.00037130       9.20373582       9.03156259       0.00681126       1.08522273      -0.20640930 
O       3.83552195       5.40510984       4.18268188       0.67783798       2.85304044      -0.00126986 
O       5.34377027       3.41633213       3.71848146       0.15651711       0.76398316      -0.66642648 
O       5.19849787       3.61204606       0.76002558       0.12651331      -0.92701164       2.33712502 
O       9.66237227       7.17557227       6.77854718      -1.74681217      -1.58772442       1.16626960 
O       3.20947595       5.52546424       9.52021418       0.24953237      -2.42298103       1.03627704 
O       5.56884474       3.57181267       6.43194537      -1.14713130       1.53362716      -0.01657480 
O      10.64407030       5.07699320       9.57901285      -0.07086363       0.86251196      -0.46828123 
O       9.37931010      10.92411147       6.29501515      -1.94591946      -0.08156582       0.05707104 
O       1.90210589       3.55105642       6.32893633      -0.92298240      -0.04008939       0.75067686 
O       7.16677877       2.00970093       1.77939249      -1.72225602       0.25928280      -3.05003766 
O       8.96416195       0.22126442       0.79596850      -0.65304378       0.38169018       3.54403846 
O       7.52674351       9.13147464       4.48418558      -0.66462661      -1.61929436       0.07838479 
O       7.57451748       1.95291839       4.09722887      -0.35500563      -0.96674450       0.74095320 
O       3.75066345       9.21507889       6.51835595      -0.95739259      -0.43896883       0.91115369 
O       8.74316354       7.68598897       9.55157962       5.04287731       1.34981486      -0.94890372 
O       7.21330802       1.61579888       9.53259463      -1.48769792       0.19958867      -1.32551339 
O       6.79842567       8.99515516       9.81249223      -2.20043547       1.45092293      -2.48136462 
O       4.94928294       7.22165310       9.15429842       1.51147845      -3.30213810      -2.13941327 
O       9.04511079       7.06350291       4.15715836       0.27522992       1.71888191       0.37175885 
O       5.18714176       7.04206541       6.11070595       3.36458466      -1.10203933       3.06026953 
O       7.30592117       9.22160911       1.38757652      -0.93795110       0.46070457       3.05060902 
O       8.56465557       7.02583519       1.54385651       2.00012243       1.05977298      -0.29433126 
O       7.54014599       5.82440670       9.59025770      -1.60252431      -3.99599611      -2.60238006 
O       3.63922614       9.14015793       9.51877416      -2.03609576      -1.92655812       0.13942827 
O       8.80008741      10.70541272       9.01515376       0.56729702      -0.39337189      -1.07993856 
O       7.48152131       5.31304318       6.53229280      -1.76263865       2.58601559       0.96746042 
O       5.58296976      10.79121979       5.96931039       1.14065935      -0.07177147      -0.99584038 
O      10.93069635       5.13414397       6.84063977       0.48920337       0.90679904       0.67667683 
O      10.68339818       9.20771964       3.65391060       2.97464858      -2.48028693       0.12721626 
O       1.75858185       6.95715378       3.99214728       0.63149177       1.70968167      -2.62478849 
O       3.43610705       9.26096777       3.92250033       0.35248049      -3.66182162      -0.69250998 
O       3.50332200       5.51560012       1.73048368       0.27095708      -0.97219282      -1.99994812 
O       5.13682468       7.39933871       1.04221363       2.76710198      -1.60823089      -0.72126256 
O       9.09592779      10.89289574       3.61065344      -0.54114861       3.77185298      -0.27515972 
O       8.60156086       3.38344003       8.75893937      -0.39865839       3.50713940       1.49815682 
O       7.08330960       5.11365351       1.42751987      -0.23938760      -0.90656686      -1.34733235 
O       8.97160513       3.51944069       0.98788371       1.79618934      -1.09156669      -1.13915198 
O       9.42988475       3.51469510       3.47829295      -0.64193043      -0.05493421       0.49041263 
O       7.20838286       5.50022567       3.88717060      -0.47150988      -2.51280831       1.24306249 
O       3.48658014       8.71121870       1.70563680      -0.94016909       1.23369074      -2.10005201 
O       8.82683079       3.42114346       6.30864100       1.90517490       1.79816349      -1.24053073 
O       7.31841638       1.62940437       6.66163073      -1.77112310      -0.85294779       1.09811010 
O       1.52033552       3.33516143       9.25429722       1.79020076       0.68344887       0.33130176 
O       7.30079278       8.61875378       7.07572711      -0.41507826      -1.04415049      -0.32373973 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02043052494652904 0.0003882829158306989 0.0036179552895395737 0.0003882829158306989 -0.008286027362807966 0.007042547690132916 0.0036179552895395737 0.007042547690132916 0.020951588454235923" pbc="T T T" energy=-1060.2064788 free_energy=-1060.20651536 config_type=crystal 
Hf       1.65231391       1.85701351       3.08277596       2.23962051      -0.78879120      -2.40878156 
Hf       3.36886800       7.31326816       0.04747262       0.62581625      -3.52329171      -3.30546540 
Hf       5.43251211       5.37299923       2.42290510      -1.73070238       0.19240955       2.40000316 
Hf       9.16887514       5.23036208       7.71154506      -1.06004800       1.33790927       0.96833715 
Hf      10.94536183       7.00849546       5.18517387       0.27839738       2.91986961       0.96462533 
Hf      10.60224073      10.55744745      10.47453140       1.50444583       1.46874277       0.37224421 
Hf       7.27331601       3.59016397       5.04736060      -1.07661034      -2.87140071       2.65504644 
Hf       7.12501921       7.14323377       5.44749334       1.07490704       3.11655878      -1.23219942 
Hf       1.54506804       5.24397316       2.91163651       0.38595669       0.62464504      -3.07166215 
Hf      10.86365188       3.70113828       5.55110749       2.51270709      -3.80817841      -0.16823300 
Hf       0.04210226       3.16835403       0.19616138       5.61740379       1.02172308      -2.85474565 
Hf       1.55410608       5.18822749       8.22538568       2.25820087      -0.04543198       0.76977458 
Hf       9.36142257       8.88089821       7.78983275      -1.46470007       0.52481840      -2.85729362 
Hf       1.98565963       1.84483482       7.48247290       0.26523839      -1.58644608       1.10062440 
Hf       7.24554342       7.47206146       0.22553590       1.75858546      -2.11289109      -2.91369805 
Hf       8.83052088       8.94359830       2.90627950       3.95464175       0.21185266      -0.15882968 
Hf       5.29587502       9.17585718       2.25770089      -1.68150491      -2.53190004       1.41822887 
Hf       5.37396643       8.80787790       8.09540630      -0.92135622       0.00488558      -1.12255613 
Hf       0.04149125      10.78237994       4.94840397      -0.68461051      -2.21138795       0.63766077 
Hf       3.74194894       3.95083549       5.32449275      -1.03232859      -0.05225200       0.84919807 
Hf      10.64890409       7.12041133      10.58658306       3.51310062      -1.55924123      -0.34623263 
Hf       1.70366468       9.17531540       7.78625556       0.94661771      -1.13501365      -0.55272150 
Hf       7.34245593       3.46042335      10.28628139      -5.14730356       1.62246888      -0.21190363 
Hf       8.88615534       5.19637186       2.27290770       0.26928016       0.03853590       2.84773126 
Hf       3.54709133       7.61054092       5.37560963      -0.47836322      -1.80182412       0.10344453 
Hf       3.39166831       0.11907200      10.16987843      -0.48937893       1.54977362      -0.86602236 
Hf       7.44599144       0.02417452       5.01379082       1.48299138      -0.02727439       1.31677065 
Hf       5.39519652       1.76332492       2.40032422       0.42694536       1.47417774      -0.92897008 
Hf       5.36845074       1.82867998       7.96349828       0.00855141      -0.20372036      -2.10943929 
Hf       1.69536727       9.13591215       2.19498320      -0.97565791      -1.11293995       0.21014584 
Hf       4.06281841      10.84855385       4.82278343      -0.95837538       0.28379413       2.34283527 
Hf       3.37103784       3.69141680       0.27958011       0.68307743      -0.13056122      -3.88533593 
Hf       7.28968734      10.68603364      10.49769677       1.07505047       2.41386684      -1.34378658 
Hf       9.02909531       1.92008074       2.20452220      -1.72067400      -1.99996832       2.45581130 
Hf       5.31680919       5.17944144       7.94127549       1.37518002       2.45414793       0.60422781 
Hf       8.93827150       1.76489152       7.92545730       0.52171534      -1.11051783       0.29731666 
O       0.01199134       8.85501784       1.14128887      -2.62325937       0.21987985      -1.10033101 
O       5.74873963       7.22363241       3.54091392       0.63413229       0.95727458      -0.50347910 
O      10.84056112       5.18141385       4.39103579       0.66555930       4.05349786      -3.51175123 
O       0.30100832       1.83670284       4.58616935      -0.95928154      -1.52646732       0.21118172 
O       1.60110151      10.70175079       3.32647501      -0.13321362       3.32198824       0.91155775 
O       1.70058769      10.38952123       0.36586049      -1.12550535       0.55287945       2.39711886 
O       1.74882696       3.69238378       1.28898234      -2.06789399       1.26873155       3.62080363 
O      10.41785278       1.50132566       9.76080479       0.59278393       1.47869995       0.51065125 
O       1.91765651       0.08268022       8.73611572       0.83231445       1.48428082      -0.98866182 
O       1.57516307       0.12602687       6.22707490      -0.87040207      -0.05845007       0.01920899 
O      10.80414129       2.59975691       7.27711711      -1.18727234      -2.42067706       1.41218143 
O       1.73925613       3.60043982       4.10292824       2.21252362       1.20842387      -1.08425821 
O       1.54977824       6.86806726       0.81942033       0.52900658       1.07637840       0.43748195 
O       1.13437986       7.04461148       8.76955126       0.05759135       1.87056106       1.21062883 
O       0.13342655       1.77672499       1.78371988      -1.25642994       0.06325939      -0.63896049 
O       3.66774735       5.24104078       6.92138701      -2.68299612       1.45829581      -1.80429917 
O       3.64245641       1.53944377       6.16801699      -0.31603984       1.07466211       1.42828321 
O       5.50834242       3.55027898       8.87641714       0.37415855      -1.14623812       2.05586330 
O      10.70694876       5.13283900       1.52795425       0.48795396       0.92139151       0.36432901 
O       1.81054967       7.36780899       6.44627475       2.05109736      -0.49394821      -2.63405066 
O       0.12420773       8.95728958       6.41990920      -2.79295803       0.49397353      -0.32396651 
O       3.73944615       1.30442750       3.54883731      -2.03162938       1.21848739      -0.27301686 
O       5.60953576      10.86146429       3.24376821       0.03886763      -1.79314580       1.04090946 
O       5.69795320       0.26429652       0.75177333      -3.50510572      -0.40156819       1.44802129 
O       3.03109583       1.76574576       1.10713790       1.89277663      -1.85582354      -0.14734574 
O       3.64070400       2.06463114       9.14090949      -0.22258954      -1.88785420      -0.65036993 
O       5.24611034      10.94549802       8.75573558      -1.76110872      -3.01879181       0.20571863 
O       0.04003016       9.30199591       8.94937651      -0.54440937       0.32578585       1.44885662 
O       3.93385796       5.69187087       4.26214131      -0.67248093      -0.19346804       1.07634869 
O       4.98664520       3.45767120       3.66808321       1.24853319       0.87069877      -1.24131501 
O       5.34976024       3.53168457       0.77518360      -1.85571601       0.82895043       1.64688652 
O       9.19626941       7.03193089       6.79698849       0.15784560       1.26140395      -1.10549593 
O       3.25721990       5.34663285       9.47143844       0.11115558      -0.31606602       1.40888949 
O       5.30919674       3.55026310       6.52415343       1.88071343      -0.55921990      -2.59662211 
O      10.81497251       5.11664767       9.31362022      -3.20304658      -0.60850055       1.61050229 
O       9.16332910      10.90807955       6.25182868       0.97712416       0.54103074       0.14574599 
O       1.82446028       3.63385069       6.51610951       1.27216065       0.35398885       0.06988902 
O       7.17572938       2.35834276       1.35889129       1.63988239      -2.05749096       1.80052962 
O       8.92894652       0.07897238       1.30433242       0.05768247      -1.45186187      -4.70379895 
O       7.64634480       9.00517037       4.37292143      -2.23612574       3.06875123       0.54773935 
O       7.04544293       1.68139607       3.88458467       0.68615019       2.56668091       0.46725900 
O       3.58906147       9.25854605       6.80076125       0.36327980      -0.00332549      -1.52846169 
O       9.11676720       7.64640341       9.39693468      -1.25292379      -0.49054875       0.81153441 
O       6.90268603       1.58671453       9.29707023       3.44449497       0.02867091       2.00672310 
O       6.81887734       9.00692114       9.49399871       1.08398959      -0.61861350       2.54026928 
O       5.02864919       6.98935237       9.08574807       0.04491884       2.52967220      -0.35911308 
O       8.92617859       7.23464669       4.07949725       1.87389289      -2.42656782      -0.33652001 
O       5.41624859       7.59783875       6.51823404      -2.36679106      -1.70206601      -2.70928680 
O       7.22385536       9.26582664       1.67292648       0.68026997      -1.68358425      -2.29058014 
O       9.05576244       7.16655932       1.43094369      -1.80337516       0.18170884      -0.66805946 
O       6.97241231       5.34247253       9.05551558       3.11469315       2.55381345       3.06328934 
O       3.08424657       8.85519401       9.40608816       1.34901713       0.68619909      -0.72607929 
O       8.98312514      10.76836229       9.14208219      -1.85580708      -1.28605949      -1.32949425 
O       7.10985676       5.56711041       6.48371328      -0.40736716      -3.00440486       1.12360161 
O       5.69713085      10.88714877       5.87530443      -0.57380542      -0.64183449       0.04064609 
O       0.03846772       5.48961292       6.80831358      -0.01087900      -1.07330959      -1.08765548 
O       0.12960345       8.92354850       3.67442702      -2.68545956      -0.03506411       1.72963282 
O       1.70316936       7.03663540       3.69164929      -0.28246260       0.18252412       0.68462096 
O       3.62372527       9.04870064       3.66216487       0.62370261      -0.06189101       2.48119104 
O       3.48757232       5.54720390       1.68056958       1.53400805      -0.75360844      -0.03047894 
O       5.52885907       7.39224656       0.95252230      -2.30784711      -0.54017837       1.06881995 
O       9.10788670       0.12479202       3.48637046       0.75670370      -0.86821639       2.81764007 
O       8.47312444       3.67412615       8.72911079       2.57510124      -3.52216748      -1.20963692 
O       7.16476122       5.22223459       1.24977398       0.75881981       1.05975005      -0.65389566 
O       9.19085233       3.36806328       0.70808963      -3.04072883       1.56299769       0.63707058 
O       9.34903012       3.49162757       3.48947668      -1.53812534      -0.36590779      -0.25068670 
O       7.20274863       5.03278793       3.91886500      -0.10180940       2.24993888      -2.78771199 
O       3.49632813       8.89929345       1.21078245       1.86675253       1.55250509       1.39755594 
O       8.98407284       3.87387200       6.15096223      -1.36150494      -0.04765959      -0.11329713 
O       7.28347945       1.78679903       6.76841806       0.81047852       0.28000763      -0.84273884 
O       1.68283503       3.33870646       9.47863077      -1.24092538       0.01588962      -1.40920470 
O       7.39328968       8.75673616       6.85339564       0.31100229       0.76346313       1.69389499 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03535991506461508 -0.0004434486939681101 -0.0004038972804863937 -0.0004434486939681101 -0.017287206566633233 0.0009466909767055816 -0.0004038972804863937 0.0009466909767055816 -0.022427212370667495" pbc="T T T" energy=-1061.44723162 free_energy=-1061.44723568 config_type=crystal 
Hf       1.72341331       1.96026242       2.48488248      -1.90956103      -3.39717298       1.04412986 
Hf       3.82041516       7.42067804      10.10124422      -0.44411550      -0.68330599       1.23229944 
Hf       5.38524398       5.25295806       2.42779072      -3.59914178       1.63706617       3.94446334 
Hf       8.92771495       5.34467534       7.64124592       2.12070520       0.44668171      -0.07524564 
Hf       0.22790353       7.53798349       5.22949479      -2.37057602      -1.50059596       1.41888368 
Hf      10.85564896      10.61565821      10.58812374       3.08207212       0.29943901      -0.11091876 
Hf       7.53048444       3.56408299       5.18503198      -4.25957332       0.04727360      -1.33290685 
Hf       7.37017767       7.09788284       4.93677266      -3.00519913       3.06191887      -0.07141788 
Hf       1.42722180       5.57903492       2.45484663       4.41722285       2.55806883       2.42372683 
Hf       0.16059108       3.85557669       5.10487295      -0.88494739      -1.48801850      -0.61087525 
Hf      10.55058045       3.29839090      10.44016051      -1.10512591       3.62223482       0.10161919 
Hf       1.66493687       5.25978124       7.70150523       0.48156820      -0.23877615       1.89564096 
Hf       9.05008055       8.97598939       7.91298258       1.55942034      -4.14386599      -0.21455495 
Hf       1.74755486       1.59630837       8.06052245       3.37875600      -1.02245457      -0.12633685 
Hf       7.46753663       6.83437449      10.55035390      -3.85546120       1.67781034      -2.44445504 
Hf       8.97138250       9.41878424       3.15329257       0.35494134      -2.99649001      -4.31570839 
Hf       5.38405668       8.98170678       2.45530580       0.69183406       1.25054457       0.14606470 
Hf       5.66979376       8.80857546       7.51934266      -2.03208382       0.28129140      -0.03723157 
Hf      10.93351500       0.13347837       5.63348065       1.14531400      -0.17115726      -0.98072137 
Hf       3.59230795       3.66916002       5.17504316       3.06867699       1.00183976       0.37592726 
Hf      10.84311354       7.05289980      10.44121948       0.40332953      -1.89267631      -1.50805602 
Hf       1.91554781       8.99608434       7.77553707       1.38713881       0.36735472       1.11095459 
Hf       6.88126497       3.60279580       0.21112106      -1.44957383      -2.55371633      -3.33608796 
Hf       9.18493170       5.23960193       2.78783045      -2.45047524       1.05388114      -0.84525021 
Hf       3.67081361       7.45120923       5.15059869      -0.55233183      -1.79662716      -1.92585122 
Hf       3.55375160      10.84888023       0.04409515       0.24166111       1.74505005      -0.66597475 
Hf       6.91211126       0.02118551       5.55245280       0.29457669       2.28709320      -3.07681953 
Hf       5.20854846       1.82299502       2.67584469       0.10029526       0.80500126      -0.16770862 
Hf       5.10447731       1.74452859       7.84888301       0.61599249      -0.05028805      -0.10719322 
Hf       1.87221814       8.99442078       2.52905129       1.08889340       1.57064125       0.84968334 
Hf       3.42832851       0.02710525       4.91667874      -0.21125743       0.05581839      -0.26138815 
Hf       3.12538821       3.73637497       0.30518187       2.97257430       1.44047803      -3.19788626 
Hf       7.45852346      10.61902686      10.50716838      -2.98714071      -0.19151467      -0.45766038 
Hf       8.87485970       1.66701851       2.30555797      -1.46280435       0.66588617       2.31507055 
Hf       5.58004966       5.20984138       7.65184006      -2.20832618       0.05976816       0.31822621 
Hf       8.88935142       1.39934064       8.16043239       0.53706768       2.13963544       0.08539136 
O       0.10953875       9.34856318       1.94030344      -3.34955335       0.49833345      -3.17632482 
O       5.51624718       7.17271615       3.36792694      -0.66844956       0.12611333      -0.12287010 
O      10.80798937       5.68473128       4.19602202      -0.45045530       0.45929022      -3.05269906 
O       0.15210050       1.86133631       4.69120609       0.01373757      -0.40891271      -0.22310773 
O       1.84389349       0.07777905       3.41821572       0.15009695      -1.07418456       0.17234611 
O       1.70581973       0.46214720       0.58065738      -0.83988537      -0.75795503       2.30958218 
O       1.30283723       3.23713996       0.78577827       1.17858832       1.42762432       0.15236152 
O      10.26577978       1.54386036       9.83319954       0.65912877      -1.22323605      -0.83157038 
O       1.30630426      10.87878715       9.00651684       0.04652896      -1.50479517      -1.47209114 
O       1.95596307      10.70264458       6.37868462      -1.72107456      -0.17662846      -0.68146190 
O       0.06778642       1.50016980       7.18799518      -3.88532049       0.34079830      -0.83571729 
O       1.45736887       3.75591236       3.30514537      -0.22972384       0.49628451       1.78943406 
O       1.79721293       7.27562575       1.24435797      -1.99578705      -1.42944934      -1.93136681 
O       1.94875139       7.05260662       8.63494560       0.19613294       1.52524807       1.41527256 
O      10.70846989       1.90091344       1.88446760      -0.06847361       0.32117351      -0.22464170 
O       3.55834347       5.24403506       6.95053088       2.50576697      -0.06018227       0.00750273 
O       3.34871027       1.85420034       6.86396969       0.37334102       0.85035837      -1.27163213 
O       5.50920882       3.63269461       8.85031444       0.34590333      -0.84515446       0.24488050 
O      10.75069289       5.34689689       1.50580033       0.16251397      -0.60891867      -0.26248072 
O       1.84951041       7.23277300       6.15556607       2.53316039      -0.26020673       1.37307079 
O       0.16125315       8.72917010       6.96610747      -2.50279482       0.59109620      -0.35619417 
O       3.50188808       1.84876135       4.07386526      -0.74908744       2.36508046       0.35341338 
O       5.07041445       0.05602373       3.42707680       0.87279561      -1.15560703       1.16061736 
O       5.25237827       0.10678857       1.07305218       0.62499622      -0.17756595      -1.73428271 
O       3.38716726       2.03992821       1.49524520       0.93903438      -0.75115259       0.17097950 
O       3.68867024       1.49371047       9.28596835       0.27224112      -0.68974101       1.55216075 
O       5.43809069      10.32215815       8.61864869       1.18132400       3.51919887       1.36713146 
O      10.88544150       8.90219109       9.44764777      -0.53800155      -0.68163124       1.97512378 
O       3.60818352       5.47096910       4.17564230      -0.86865887       0.55437402       2.56745567 
O       5.27519754       3.74286640       3.73915370       0.55300715      -0.82549824      -1.15648888 
O       4.99930815       3.54617673       1.08212488       2.98143646       0.90735268      -1.08331132 
O       8.80315433       7.23942154       6.27628813       2.52301323       0.72089650       0.49869187 
O       3.68142800       5.48794487       9.93557042      -0.68625219      -1.40873803      -0.30405311 
O       5.56574638       3.23549437       6.15843452      -1.55541947       1.96131424       1.47133898 
O       0.07625749       5.16801324       9.44573093       0.68757766       0.02693223       1.02974628 
O       9.26489122      10.51822508       6.69778910      -0.28164127       2.86756663      -1.69936616 
O       1.79105149       3.81273117       6.08647683      -0.07587102      -0.07298127       0.38518654 
O       6.92937978       2.19181912       1.60984017       1.71368688      -1.09292453       0.22730558 
O       9.19524481       0.11588665       0.98664277      -2.29243379      -0.75343866       0.23431649 
O       7.02616387       9.19055202       3.86148636      -0.10031567       0.84874643       2.95677593 
O       6.94432003       1.88789508       4.29783147      -0.36395526      -2.47937336       0.11930736 
O       3.87662930       8.92166308       6.53623723      -3.23763944       1.44925299       2.57627283 
O       9.46478147       6.96478573       8.88570933      -0.89351985       0.27642399      -0.77272642 
O       7.22453485       1.58356687       9.55317758       0.61125675      -0.61421986       1.50491742 
O       7.52827724       8.56921721       9.44933735       0.15173800       1.47873188      -0.00938442 
O       5.34286979       7.30806329       8.65891751      -1.28245445      -2.52521046       1.09333760 
O       8.52234317       7.46454444       3.21633211       2.25174373      -2.59643921       1.07351976 
O       5.39847697       7.41717946       6.00329746       3.59693473      -3.22556891      -0.97773714 
O       7.29636239       9.59158347       1.57849695       0.19241917      -1.16328523      -0.71338877 
O       9.06083934       6.69702756       0.83338566       2.33121366       0.97420886       0.96920448 
O       7.23476239       5.54063567       9.00312938       0.48097573      -0.50924703       1.43487578 
O       3.31742542       9.31931986       9.48807708      -1.03647396      -1.79549603      -1.80628470 
O       8.93936250      10.58501494       9.07393489       0.03877594      -0.22240400       1.52860339 
O       7.21451230       5.48938306       6.44087745      -1.17913933      -1.78970102       0.93089054 
O       5.03022828       0.26058287       6.08374613       3.04041494      -0.17716848       0.94354212 
O      10.88062119       5.47283731       6.73252403       0.78046562       0.38427484       0.65879173 
O      10.76922770       9.26724950       4.37309021      -1.18000497       0.84274502       0.74995758 
O       1.74102420       7.54100034       3.83302530      -0.34992655      -1.65927067      -1.04836227 
O       3.76909199       9.22313002       4.03877266      -0.81776092      -2.57375089      -0.79608678 
O       3.47574257       5.18671951       1.90256390      -3.84228792      -0.77714740      -2.22361091 
O       5.33464764       7.30816233       0.77523568       2.15462694       0.39775801       0.06896542 
O       8.84635121       0.15828944       3.82589813       0.17212043       4.10440853       1.77525396 
O       9.08009462       3.41529284       8.59814609       0.28368823       1.06611453      -0.73670627 
O       6.99779014       5.27015318       1.37724194       1.87533530       0.38241626      -1.88782968 
O       8.79424907       3.70906462       0.84862425       1.89531440      -0.67297166       0.50696427 
O       8.92041596       3.17598116       3.69923245       1.29782450       2.49698488      -2.55534333 
O       7.32993661       5.46327448       3.92024369       1.01334978      -3.93330644      -0.57793207 
O       3.47314304       8.98444348       1.37542183       1.57462166       1.41045286      -0.45861421 
O       9.25859601       4.30677051       5.65196586      -0.99125955      -0.66273469       3.03887004 
O       7.23073672       1.66405546       7.06633915       0.68791969      -1.54546150      -2.02162063 
O       1.99404371       3.36770568       8.73880039      -0.99687702       2.72686972       1.71174025 
O       7.23608511       9.15696860       6.36101880       0.89374803       0.57584122       1.47428092 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03101531969377243 -0.0010801978118591207 0.004371917558316677 -0.0010801978118591207 -0.018998489258195025 0.0028062801701319146 0.004371917558316677 0.0028062801701319146 -0.013212692904874524" pbc="T T T" energy=-1059.32210501 free_energy=-1059.3221082 config_type=crystal 
Hf       1.70843076       1.92499769       2.42572689      -2.26412902      -1.25129479       0.63089434 
Hf       3.86352910       7.41911484      10.09681469      -3.27751323      -1.66068721       0.29428421 
Hf       5.39276298       5.23336764       2.44389079      -2.19386607      -0.35216640      -0.38746346 
Hf       8.89658775       5.36249352       7.67760093       1.97355643       0.54145302      -0.81899278 
Hf       0.23508519       7.50332813       5.27740351      -0.75322499       0.06237710       0.22707380 
Hf      10.80114450      10.63812152      10.61505071       2.84023548      -0.30773514       0.35694864 
Hf       7.49659479       3.55577473       5.17703132      -3.79687996      -1.13959016      -1.89939153 
Hf       7.37728286       7.19760040       4.94827217      -1.31036651      -0.75727411       0.87913942 
Hf       1.45975991       5.52950427       2.54416382      -0.44304196       2.42154485      -1.13866158 
Hf       0.17658432       3.91914866       5.14186910      -2.20057876      -3.28752819      -0.51327704 
Hf      10.57304562       3.25561057      10.43579507      -1.30825681       4.43891932       1.10254076 
Hf       1.68524162       5.27415420       7.78629680       1.56846749       0.45991280       1.36026543 
Hf       9.03832070       9.01281974       7.87109773       1.21042503      -2.45262438       0.24837697 
Hf       1.76428850       1.61251701       8.05260417       0.48846108       0.33532291      -0.07453642 
Hf       7.45240815       6.83488767      10.50734291       0.61880111       2.71332873      -0.60552871 
Hf       8.93644064       9.37395261       3.07004985       2.30588876       0.78531815      -2.78684154 
Hf       5.44588829       8.96156571       2.48142498      -0.48768821       0.57288972      -0.21090521 
Hf       5.59482996       8.81867920       7.54498736      -2.73659272       1.16332704       3.33636080 
Hf       0.02171534       0.11933823       5.58506141      -1.55912013      -3.41948756       0.30866304 
Hf       3.65101283       3.70403647       5.18166747       1.50936505       1.35284481       2.04688677 
Hf      10.87730393       7.02251575      10.39958026       0.07149623      -1.18507712       1.13376474 
Hf       1.88483452       8.97596770       7.78625280      -0.17922262       0.18760261      -0.24715253 
Hf       6.89082780       3.60052879       0.24852834       0.01810379      -4.00823892      -4.33906567 
Hf       9.10162765       5.28596488       2.73058436       0.47537567      -0.37265071      -2.10914518 
Hf       3.68693689       7.39333340       5.22634159      -0.72037848      -0.00027464       0.40706743 
Hf       3.54186981      10.84897500       0.00331859       0.64700045       2.22056510      -0.18528922 
Hf       6.93312717      10.95364271       5.56483527       1.30267964       1.90901819      -2.18009786 
Hf       5.15336276       1.85251684       2.72327395       1.47315827      -2.15614381      -1.56056137 
Hf       5.11797587       1.72938674       7.86699632       2.43260995      -0.48467388       0.78815156 
Hf       1.90093064       8.94000857       2.48465481      -1.99909310       1.51187497       1.57825108 
Hf       3.50105291      10.94853184       4.85904193      -2.08182745      -0.51933092      -0.36779243 
Hf       3.11690191       3.73513584       0.25082994       1.65337820       2.53093565      -4.42551258 
Hf       7.46618313      10.63513481      10.45908034      -6.55477348      -0.17852808       1.52257878 
Hf       8.84248659       1.66384061       2.25701086      -1.08731773       0.82632521       6.33517422 
Hf       5.58734614       5.23695003       7.69131042      -1.44152601      -1.22296026       0.26131730 
Hf       8.93444698       1.42611502       8.15316301      -0.30204678       1.26531068      -0.32747666 
O      10.93537533       9.29532710       1.93149231      -1.69860425       0.82973773      -3.31205915 
O       5.52916047       6.81938570       3.46680577       0.84065079       5.84138418       0.46817737 
O      10.70888972       5.57208005       4.08471195       0.36924981       2.21593745      -0.97879034 
O       0.24155449       1.69650800       4.75673685       0.67379289       4.28465135      -2.76953902 
O       2.02391437       0.05945701       3.02008760       0.72398877      -1.38095463       2.36437080 
O       1.64258038       0.61092584       0.74676633      -0.06849709      -2.28403612      -2.06929478 
O       1.29168556       3.42089399       0.79207382      -0.06352001       0.04352562       0.53327844 
O      10.27166907       1.47564600       9.71957447       0.98537249       1.90072941       0.65295643 
O       1.06344666      10.90348219       8.98824432       2.96618504       0.48928081      -1.56921318 
O       1.85556316      10.71598187       6.27519058       1.39592418       0.31787621      -0.01434011 
O      10.90666217       1.42714642       7.17051270      -1.56101068       1.51863820       1.14865562 
O       1.33773319       3.73824056       3.39183985       0.53545910      -0.32960599       1.60003520 
O       1.63326329       7.28628988       1.34023856      -0.82695003      -0.81109465      -2.20063617 
O       1.91773999       7.10336040       8.78074030      -0.18667309      -0.16257311       1.03331133 
O      10.64049908       1.94940053       1.94001124       2.74903947       0.83972825      -1.66351535 
O       3.69277809       5.05422641       7.00827271       0.07669920       0.95388613       0.34701691 
O       3.41904703       1.89454844       7.05259649      -0.83966374       0.42938317      -3.89281346 
O       5.54912646       3.49553053       8.84584558       0.75087229       0.88566952       0.25314842 
O      10.73981917       5.36677206       1.32850043       3.73029301      -0.62819609       2.91135734 
O       1.94182369       7.15953126       6.34901813       0.52607498       0.09016578      -0.30217432 
O       0.18276175       8.89150285       6.68631690      -1.73582073       0.29892252       1.61160540 
O       3.46647358       1.95653683       4.13656690      -0.05471611      -0.39049357      -0.52401338 
O       4.90409098      10.76757159       3.38516548       0.97544361       1.84512935       1.25682952 
O       5.36470269       0.35309424       1.23671593      -1.46330067      -1.08923647      -3.56437416 
O       3.32113282       2.18579058       1.31963839       2.51752821      -3.08980443       3.13182839 
O       3.66709054       1.46398597       9.22902603      -1.32895285      -1.29360887       3.84454552 
O       5.39128337      10.58048244       8.77411992       1.21323136      -0.45988133      -0.08513586 
O      10.93613064       9.00894602       9.36954449      -1.59331436      -2.51554689       1.23069897 
O       3.60534647       5.64272028       4.37996037      -1.00026901      -3.25656848      -0.14307067 
O       5.27098320       3.64932659       3.55560458      -1.04344741       1.31367154       1.24541369 
O       5.05870917       3.73843459       1.01934395       2.14172196      -1.11929972      -0.46351984 
O       9.00764204       7.40496210       6.46691882      -0.31628283      -0.45141219      -2.16334760 
O       3.82517116       5.43063951      10.05944387      -0.27636003       1.24375980      -1.73248279 
O       5.46641272       3.30958191       6.19187739      -0.40766742       1.48627930      -0.12445481 
O       0.04831147       5.29241182       9.53302765       1.33258904      -1.80594803      -1.20572720 
O       9.14330942      10.66573776       6.59638100      -1.62048892       0.57521784       0.77204962 
O       1.79960977       3.56875759       6.16353931      -0.08093050       1.22870826       0.00943160 
O       7.09136007       2.18533164       1.68106298      -2.36757876       1.32674606      -1.85332861 
O       9.09312886       0.21091253       0.97159689      -1.45558341      -2.23894791       0.64900325 
O       6.92327772       9.30259586       4.10353240       0.49447092      -1.40927395      -0.00150938 
O       6.92067469       1.93806173       4.11453979      -1.42914072      -3.23648657       0.99302517 
O       3.82301228       9.01877454       6.67326714      -2.04894561      -1.31200106       1.11089458 
O       9.36635507       6.95839214       8.90676697      -0.55901712       1.34905898       0.56881401 
O       7.29767152       1.47847561       9.59486154       0.16389862       1.53957323       0.25372222 
O       7.40301993       8.63173774       9.24796159       0.42436638       0.74008888       0.33160143 
O       5.30062477       7.21163121       8.75159782      -0.08944489      -0.58031263      -1.52890446 
O       8.74829676       7.44819371       3.33537414      -0.54945285      -2.02854302       2.48239346 
O       5.54615870       7.24780496       6.04535036       0.05072004      -0.11164389       0.18722025 
O       7.15700054       9.38461160       1.47103372       0.95933895      -1.19318004       0.66963577 
O       9.11767578       6.66618598       1.06788957      -2.51310960       3.08197638      -2.89901650 
O       7.30904067       5.52154528       9.04540113      -0.81651687      -0.91172653       0.05259742 
O       3.13117977       9.26088954       9.31797142       1.31446221       0.64384310       2.00812034 
O       8.90431436      10.67322641       9.33902449       3.67699151      -2.36683732      -5.13447177 
O       7.19399610       5.51297243       6.32733688      -0.54862206      -0.99195441       2.31227187 
O       4.95293951       0.04655654       6.15656212       4.49167446       0.99003571       0.27228934 
O       0.03311298       5.54083014       6.76775906      -0.81518909      -0.46841703      -0.72295404 
O      10.77872622       9.37473849       4.23966512      -1.06265437      -1.36254376       1.48330802 
O       1.81803130       7.55506554       3.90997501      -1.84851076      -2.43794822      -0.05887873 
O       3.57701830       9.04598256       4.13718604       0.47576578      -0.42188894      -1.10650322 
O       3.23386762       5.10981453       1.78460357       0.13012293       0.02827049       1.15496441 
O       5.26718936       7.45025694       0.72165989       4.08580309      -0.15768487       2.33408690 
O       8.79295506       0.16680707       3.84139266      -0.24882725       1.30311084       0.39024484 
O       9.09152019       3.56097127       8.62426335       0.45645965      -1.04054850      -0.75747609 
O       7.01694725       5.30376520       1.11136611      -1.49591183       2.23245018       2.31185998 
O       8.89012492       4.00088633       0.80928047       0.24986248      -2.84101754      -0.05025664 
O       8.97052563       3.23660903       3.68969802       1.24189383       1.07317355      -2.11607640 
O       7.34015988       5.19236043       3.85777089       0.09485153       1.17581225      -0.35745121 
O       3.52259383       8.97542932       1.39690655       1.79761473       1.83633411      -1.47245205 
O       9.12501411       4.33113545       5.65049098       3.32886795       0.17326830       4.21719299 
O       7.20533622       1.70165842       6.89470025       1.26397410      -1.43260710      -0.54467724 
O       2.01563415       3.52973100       8.81318044      -1.27576004      -0.62763778       1.00144860 
O       7.16815265       9.05270834       6.51862752       2.14149539       1.77803258      -0.23055256 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018075468624389007 -0.0033778514301985754 0.0014862534935823726 -0.0033778514301985754 -0.010571768748905216 0.011430760312090558 0.0014862534935823726 0.011430760312090558 0.004515364408692787" pbc="T T T" energy=-1062.03755982 free_energy=-1062.03756149 config_type=crystal 
Hf       1.63904411       1.83530694       2.33053495       0.35743783       0.54033896       1.74399404 
Hf       3.89719470       7.38836091      10.11904715      -0.26612632       0.95744388       2.96335591 
Hf       5.37046686       5.21966848       2.46514507      -2.00496131       2.86882966      -0.71215065 
Hf       8.87610595       5.40937907       7.74013325       1.52774711      -1.43884373      -0.06459733 
Hf       0.21887886       7.42665005       5.38300603      -2.39259780      -0.95386037      -0.46000953 
Hf      10.74272557      10.67270402       0.02947953      -0.54730777      -0.98753693      -3.40861287 
Hf       7.37782113       3.51924206       5.13528677       0.53333668      -0.08180780       1.50754364 
Hf       7.36749652       7.39019187       5.00089433      -0.71537863      -1.83562551       2.85465867 
Hf       1.49250225       5.47948300       2.71876778       1.25845770      -0.01024226      -0.39168785 
Hf       0.15929334       3.97996881       5.21019922      -1.37668900      -2.02265265      -0.13108137 
Hf      10.60033428       3.28279131      10.45636729       1.40218526       4.95252019       0.82249390 
Hf       1.75167596       5.31641204       7.98124233      -0.18070994      -0.63973675      -1.01064571 
Hf       9.03652951       9.03956300       7.79326794      -0.14045985      -2.14115187      -0.58735888 
Hf       1.80677773       1.66203287       8.02557281       0.26034143       2.32363954      -2.20093227 
Hf       7.43432790       6.91167061      10.40120289      -1.16906679       2.39208617       0.81875522 
Hf       8.92100692       9.29284053       2.84820445       1.31571228       0.47549107      -1.02683745 
Hf       5.55796795       8.92038024       2.52435699      -0.62276474      -0.29613569      -1.60695283 
Hf       5.41812163       8.86959469       7.65589183       3.00227677       2.43321942       0.67612223 
Hf       0.06268574       0.06112111       5.48193842      -0.95863063       2.36147146      -0.32527480 
Hf       3.77878433       3.78005194       5.25019285      -2.35057328      -5.02982433       3.01684168 
Hf      10.94241073       6.94406246      10.34419499      -0.62477574      -0.19064479       1.55966475 
Hf       1.79488259       8.94211651       7.81364405      -1.54613285       1.71570338       3.09775107 
Hf       6.94270611       3.53539602       0.20348232      -0.04845144       1.35088194      -4.90215392 
Hf       8.96045510       5.37493910       2.56152108       2.30694032       0.07995124      -0.69316552 
Hf       3.71196577       7.26967971       5.39326142      -0.49096742      -0.01443414      -0.87941701 
Hf       3.53801823      10.88236275      10.56819904       2.05390587       1.50497007       2.44073077 
Hf       7.03584723      10.94944218       5.53827393       2.20316582       0.84729823      -2.40398148 
Hf       5.07100607       1.85015681       2.77351978       1.30122586      -1.89400280      -2.39431375 
Hf       5.18841714       1.68989463       7.92111089       0.35994635      -0.32162026       0.13168293 
Hf       1.92735629       8.84780934       2.42063475       0.49128405       0.15112840       1.29287787 
Hf       3.59979539      10.87420579       4.75221506      -2.18758266       0.64505338       1.38861422 
Hf       3.13884119       3.76289725       0.06700096       3.02459881      -1.30086805       1.15654495 
Hf       7.35419857      10.65484322      10.36415901      -3.63367238      -0.19210457      -0.70297816 
Hf       8.77624880       1.68573607       2.29375754       0.79330577       1.26686208       2.65875286 
Hf       5.58663783       5.26030844       7.78086209      -0.57944815      -2.21733099       0.06590568 
Hf       9.00709282       1.50803007       8.12736398      -0.73406447       1.01526071      -0.71499198 
O      10.37629438       9.36096537       1.39662732       1.46368520      -1.26210348       2.75721837 
O       5.69273639       7.21130165       3.65216543      -1.28165841      -1.67041388      -1.08403248 
O      10.63601205       5.71529316       3.90961905       0.03468154      -1.50978510       2.16940837 
O       0.47709666       1.82326334       4.48463859      -1.07023103      -2.87833556       0.05804776 
O       2.46439148      10.73250768       2.87338699      -2.43271473       1.84895463       1.05968042 
O       1.49917971       0.39683662       0.56690824       2.25410370      -0.07857713       1.40833672 
O       1.40904941       3.56793151       0.89618233       0.03373675      -2.22157355       0.80246805 
O      10.48338139       1.60091888       9.69028626      -0.34924676      -2.06439365      -0.61228959 
O       1.22389969      10.90419850       8.63953786       0.50592498      -2.34790409       0.08891714 
O       2.00431398      10.82225627       6.07572251      -1.47333024      -0.28532850      -0.30254359 
O      10.67283878       1.56644210       7.14115647       2.37799916      -0.49268556      -1.58888637 
O       1.41605237       3.73408955       3.66090247       1.39807097       0.41532384      -1.15159407 
O       1.34012280       7.40828768       1.18827394       1.80272437       1.22678651       0.20282951 
O       1.84695777       7.11269590       9.22222953       0.72422214      -0.17802052      -1.40929136 
O      10.68973414       2.07696759       1.65033592      -1.43438441      -1.76105092      -0.13461713 
O       3.67566832       4.97138251       7.22773361      -0.05397200       0.59948501      -0.15024758 
O       3.52750759       1.91410928       6.82951759       1.02161398      -0.63766977       0.97449855 
O       5.72940207       3.34708057       8.89659970      -0.93049628       0.15244038      -0.13423644 
O       0.12372523       5.40138119       1.48405000      -4.52405744       0.46838445      -2.18663100 
O       2.12175046       7.09617907       6.64079863      -1.72040246       0.84032689      -1.00018572 
O       0.03711027       9.20257141       6.61052076       1.04751681      -1.10653819       1.72966970 
O       3.42255788       1.89566782       4.11795871       0.47959269      -0.74397665       0.40728228 
O       4.95078808      10.69218522       3.42897609       2.27655798       0.43294406      -1.09734297 
O       5.35231386       0.51399351       0.88343050       0.82586810      -1.63328329      -0.01487218 
O       3.55761808       2.04864392       1.52132856      -3.44177904       0.54385037      -1.24712067 
O       3.34080530       1.51559705       9.45357662       0.83833153       1.55715255      -1.46559928 
O       5.51900601      10.91717862       9.04821888      -0.57448828      -0.66422718      -1.23233635 
O      10.83224157       8.76422218       9.49823904       1.36211698       0.86161822      -0.46111870 
O       3.40652870       5.46162823       4.59770458       0.01127743       3.65900638      -1.47434059 
O       5.03354477       3.73671942       3.59266641       0.19084865      -1.61090856       1.07920379 
O       5.14132639       3.90890743       0.93379985       0.47683950      -1.44319672      -0.27484595 
O       9.28302461       7.47326991       6.30785881      -1.60257698      -1.00693743       1.04386172 
O       3.97527208       5.50405063       9.95984897      -1.16325709      -1.50456642      -1.02225169 
O       5.51899856       3.63577566       6.18140592       0.78846218      -0.23374137      -0.31540698 
O       0.21989853       5.15249669       9.36107945      -1.74380379       1.38250785       0.52280403 
O       8.75649798      10.94130735       6.55028196       2.89891591      -1.50713308       0.49252929 
O       1.72866836       3.47435850       6.36823918      -0.57808507       1.45009610       0.27436412 
O       6.99352902       2.33215299       1.62712718       0.58412696      -1.44668122       2.60231147 
O       8.73486240      10.94271541       1.14692076       0.43554673       1.66984626      -0.31385731 
O       6.87620308       9.09884077       4.32794449       1.25181189       2.93888480      -1.85617006 
O       6.58383247       1.53705339       4.07568452       1.30508950       1.51054601       1.90227851 
O       3.55192118       8.94515504       7.00239147       1.59809115      -0.32878675      -1.66336595 
O       9.05729869       7.15815902       9.05663449       0.10835488      -1.10225948      -1.35379810 
O       7.52077085       1.62512934       9.72492415       0.71331384      -0.44765500       0.00297256 
O       7.15594109       8.92588070       9.05552227       0.21327924      -0.41207589       2.57122334 
O       5.20487207       7.10085728       8.61171965      -0.16232630       1.57491356       1.37671325 
O       8.98409562       7.27710645       3.95586423      -1.32950263       1.12473819      -3.52184145 
O       5.55543065       7.09119014       6.26719757      -1.12873120       1.08913265      -0.26815494 
O       7.27944556       8.94979732       1.45963582       0.73549865       2.37956099       1.44659573 
O       8.91125521       7.12701440       0.99999662       1.82239938      -1.83749001       0.63126066 
O       7.25035902       5.28516005       9.12744170       0.16034194       0.87894585       0.62671473 
O       3.17746405       9.28744952       9.49723843       0.37738693      -1.35278970      -1.83941735 
O       9.24858343      10.49496407       9.06643964      -1.66696222       2.58854839       1.57943004 
O       7.18890945       5.27086006       6.52490065       0.89414380       1.11682344      -0.10998538 
O       5.29492853      10.73467971       6.36066071      -1.82451619       0.31840600      -0.26184466 
O       0.17094154       5.64451071       6.68655052      -0.12898808       0.22489253      -0.21873563 
O      10.59928710       9.32564728       4.14272386       1.22633552       0.11695037       0.29509244 
O       1.57874930       7.13218783       3.92186929       1.02467360       2.27641532      -0.53706833 
O       3.35811830       8.79885618       4.07802375       0.87136761      -0.35346779       0.75554973 
O       3.20798462       4.97586921       1.71887873       0.70534222       2.29589955       1.77920937 
O       5.63315865       7.56991267       0.83505346      -2.86864788      -1.05121478      -1.85947857 
O       8.71618889       0.27029876       3.77285485       0.56518188      -1.23235892      -0.68121631 
O       9.22909041       3.55586654       8.57824935      -0.09842359      -0.00736886       0.79647731 
O       6.81511910       5.53036059       1.20618551       3.39261785      -1.07258436      -0.73559143 
O       8.98461680       3.97860073       0.74597107      -1.92166499       0.03015863       0.52760172 
O       9.23842415       3.48605929       3.37462257      -1.02111787      -0.87968943       1.01047167 
O       7.22114452       4.95400739       3.65574145      -0.05367885       1.06732803       0.88752748 
O       3.77632799       9.19466085       1.26853501      -1.39789456      -1.78668845       1.39317165 
O       9.22139229       4.14453998       6.18562680      -0.63214233      -1.90224220      -3.08678711 
O       7.28841414       1.76433594       6.58077614      -0.77556410       1.55810503       1.48187954 
O       1.86517617       3.53959053       9.12433814       0.02579268      -1.01414759      -1.99959491 
O       7.26351115       9.11227316       6.76608871      -1.05573035      -1.28535493      -1.67649324 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.004102782929585987 -0.0026927657687613664 -0.0012092491706891847 -0.0026927657687613664 -0.008903049679302874 0.00795041658618116 -0.0012092491706891847 0.00795041658618116 0.0062867989703722935" pbc="T T T" energy=-1065.72040611 free_energy=-1065.72041289 config_type=crystal 
Hf       1.64373197       1.79297230       2.65769674       0.57660231       1.14429907      -2.36607686 
Hf       3.46251255       7.18428766      10.35317033       2.52896331      -0.84422238       1.27683617 
Hf       5.36496684       5.38071335       2.41511649      -2.42181592       3.33754584      -1.12050236 
Hf       9.04224744       5.05418971       8.00946180      -4.08516789       3.32531173       0.90846185 
Hf       0.01015720       7.36911538       4.90512215      -0.54155614      -3.15642061      -0.18298847 
Hf      10.73741378      10.73498056      10.54188525      -0.32199639      -0.93522883       1.94045845 
Hf       7.36019029       3.85511785       5.12211287       3.05071774      -1.54600131       0.12307270 
Hf       7.38029521       7.32505637       5.12798826       0.29805029      -0.25527649       1.92631083 
Hf       1.62801197       5.21247268       2.55064368      -0.33253693       0.39770069       0.97548085 
Hf      10.86381906       3.44040498       5.41017716      -1.85356966       2.56117449      -0.95662611 
Hf      10.61654225       3.55464199      10.54935977       1.69425728       1.31758555       3.61685756 
Hf       1.65016369       5.11882989       7.83766910      -2.31368909       2.07256526      -1.23390021 
Hf       9.17117699       8.93724196       7.60645327       1.00368945      -1.80175427       2.26977603 
Hf       1.99524843       1.70438460       8.45260617       0.47244825      -1.20502022      -3.68891731 
Hf       7.12693738       7.06840199      10.29453789       0.30777732      -1.10562928      -0.65581926 
Hf       9.00487532       9.23746003       2.85357996      -1.10940589       0.57806477      -0.84149174 
Hf       5.42772401       8.94963561       2.40239060      -0.78423243      -0.08409915       0.25217234 
Hf       5.55176094       9.07821621       7.71301208       1.66895654      -2.83547661       3.28648436 
Hf       0.16123967       0.18578834       5.48343722       1.23913632      -2.35618989       3.82448328 
Hf       3.52131822       3.53007897       5.39202112      -0.35551113       0.68197818      -1.91984483 
Hf       0.01284175       7.38545592      10.56003352      -2.75933053      -2.14528200      -1.46996199 
Hf       2.05784039       9.34101176       7.77408472      -1.54288839      -0.81197431       1.16254444 
Hf       7.05339589       3.39546862      10.56690336       0.39185229       2.49502167       0.56833554 
Hf       8.76985784       5.44318895       2.37939147       2.68264709      -0.87628261       0.42412296 
Hf       3.58970820       7.34381578       5.38408041       0.58358729      -3.42922922      -2.03654226 
Hf       3.59429142      10.68443363       0.15833926      -0.85496590       1.84045080       1.88992918 
Hf       7.13262563      10.92792865       5.30318384      -0.11185137      -0.16336895      -0.69870384 
Hf       5.44538771       1.97529833       2.52015854      -2.53110361      -0.57908237       0.24754494 
Hf       5.58201331       1.72078541       7.73237769      -1.29282166      -1.14982647      -2.07447478 
Hf       1.68813127       9.21475843       2.80716460       0.41342303      -1.75938941      -3.41712104 
Hf       3.73846515      10.85708112       4.81281226       0.43481490       1.75445244       2.88344634 
Hf       3.47364636       3.58975476      10.51925366       0.94527994       2.31733631       1.89694356 
Hf       7.18337754      10.69663237      10.17527318      -0.82092469       1.74580164       3.71938344 
Hf       8.93203830       1.66994617       2.59234178       0.03291640       3.04600479      -1.64208775 
Hf       5.48019854       5.17024585       7.62092986       0.84454663       1.40554069       2.68388002 
Hf       8.82879893       1.52512834       8.04924434       2.64520788       2.29101257      -2.66308099 
O      10.69609026       9.02752948       1.54874596       1.00844144      -0.05646568      -0.32373735 
O       4.87399561       7.31981338       3.39968225       0.47258956      -1.63294222       2.34084629 
O       0.04999135       5.37849980       4.45785617      -0.86124567       0.93530345      -0.18314295 
O      10.67557899       1.67770795       4.44384640      -0.51356499       0.76860928      -2.47980545 
O       1.79739293       0.03530001       3.63883454      -0.99970628      -0.31295716       2.48932002 
O       1.73867677       0.08213056       1.19331953      -1.28439987      -2.35631517      -0.22844907 
O       1.70257511       3.41278951       0.89502472       0.66616709      -0.31113625       0.56158840 
O      10.88199945       1.63956748      10.06924965       1.02431671       0.36490520      -2.42178081 
O       1.68075810      10.86816410       9.43340044       1.00683495      -0.35976192      -2.75386255 
O       2.11666962       0.35750184       6.33811277      -0.63187598      -1.40520276       0.49639682 
O       0.00343624       1.89857313       6.93039743       0.20398815      -1.99409318       2.03299845 
O       1.52110716       3.48791776       3.76275178       0.77910703      -0.96810261      -0.37846832 
O       1.74030955       6.80907468       0.60860495      -1.14776693       0.42293973      -0.41507759 
O       1.57993003       7.56978087       8.70304444       0.70079012      -1.40946726       0.20791029 
O      10.70753096       2.10695482       1.85930121       1.31033685      -1.34437922       0.76413316 
O       3.49549109       5.29190281       6.85724652       0.69722510       0.71425518       0.61345349 
O       3.67079641       2.09381431       7.17125004      -1.98415638       1.06610012      -0.43964245 
O       5.39347709       3.36800017       8.53713510      -0.01741103       4.98825215       1.85695174 
O      10.66505904       4.88928438       1.76636251       0.73443865       0.93834938      -0.48203909 
O       1.63927507       7.80308079       5.86563023       0.94791813      -1.12279179       1.37975199 
O       0.31275271       9.55718667       6.94950104      -2.16611386       0.20223786       0.70671525 
O       3.55878062       1.74316928       4.30874416      -0.32359166       2.18599649      -0.14877969 
O       5.48386047      10.69655305       3.70603649      -1.02631189       0.58704203      -1.22429619 
O       5.53689661      10.68551466       0.97471023      -0.75292177      -0.63881087      -1.42493114 
O       3.63271565       1.41423444       1.70615996      -0.52592600       0.38825618       0.50414332 
O       3.94492276       1.76119727       9.71637833      -2.82910931      -2.16533968      -0.29471404 
O       5.81238961       0.03045330       8.70244549      -0.44481319      -2.94862885       0.67609259 
O      10.27627968       8.94423846       9.42751421       1.50415716       0.22295273       1.24045343 
O       2.79963664       5.57348702       4.41418671       1.61888702       0.85166182       0.45242750 
O       4.62225774       3.88441967       3.33218523       0.12756003      -1.75363197       1.69672671 
O       5.26214029       3.39722530       0.90808075       0.46646053       0.59444090      -0.10957387 
O       9.27964972       7.63225012       6.12420330       0.08132869      -0.62338697      -1.21650691 
O       4.14261731       5.42420133       9.53890889      -2.61216484      -1.63289676      -0.24068626 
O       5.65493874       3.64602631       5.99101321      -4.29309208       0.39876105       1.43196248 
O      10.71576724       5.40655998       9.35284389       1.88801940       0.99753186       1.58923613 
O       9.03298721      10.66698160       6.65995251       0.33368350       2.83664736      -1.78395979 
O       1.59803120       3.74403716       6.35209735       2.29433987       0.17318636       1.05751777 
O       7.11597305       1.77938489       1.47017533       0.45019298       0.13269698      -0.33551112 
O       9.01063270       0.03010347       1.17122322      -0.06090514      -1.31228142       0.42490262 
O       7.15390908       9.11803010       4.15950886       0.86313741      -1.32160492      -0.00389177 
O       6.56735212       2.25895749       4.10599397       1.56172136      -1.50823802       0.67929893 
O       3.83182890       9.18869476       6.95222557      -1.73362430      -0.71198969      -2.47176624 
O       8.44946846       7.04295822       8.56405708       1.34652642       0.66125844      -0.01476646 
O       7.16611702       1.97443247       9.24443383       1.52272899      -2.40351396      -0.22922170 
O       7.23512657       8.95045227       9.48149316      -0.50752967       0.08038146      -0.52829701 
O       5.50778060       7.14395413       8.73707839       0.02862964       2.06109741      -0.65603967 
O       8.82921230       7.29228588       3.59564530       1.65400991       0.01125995      -1.64023816 
O       5.55892145       7.37802885       6.11480024      -1.74453436      -0.37357636      -0.38917046 
O       7.00854553       8.51005569       1.49300557       3.87851466       0.28521106      -0.49038293 
O       9.05363993       6.64923529       0.62262333       0.46639281       1.07828512       0.33118168 
O       7.10176137       5.20957789       9.29937651      -0.49628169      -2.29083464       1.24631022 
O       3.58945260       9.11140511       9.46748733       0.79186132       0.39839886       0.21081205 
O       8.98909101       0.01194138       9.33377918      -0.04117421       0.33929159      -1.50968433 
O       7.31057407       5.46268965       6.62078614       0.56281643      -0.14139363      -0.17120329 
O       5.27110744       0.24163305       6.10636698       0.52487036      -0.91434991       0.80380766 
O      10.47812875       5.15360358       6.91087833       5.81564630       0.62775159      -2.24139399 
O      10.53869922       9.34118760       4.40250098       0.53725905       0.68331540      -2.39913811 
O       1.12962561       7.24449252       2.95157902      -0.16844199       1.70763581       1.93598847 
O       3.19324496       9.02275508       4.46458879      -1.09275765      -0.22255848      -3.32930939 
O       3.37968464       5.31923704       1.40552645       0.79979849      -1.23762833       0.81166793 
O       5.17388445       6.96753098       1.02816528       0.59536290       0.63719797      -2.89468318 
O       8.59431675       0.11694829       3.75549940      -0.17715742      -0.75191741       0.91723453 
O       9.38934525       3.43560538       8.99958259      -1.55594696      -3.21690889      -1.11405442 
O       7.09394240       5.22587439       1.37456705      -0.62343850      -0.44004302      -0.28786928 
O       8.87551443       3.38544377       0.81450984      -1.50488362       0.46929249       0.22698819 
O       8.87873802       3.55409539       3.54041977      -0.53073472       0.52740642       0.17735788 
O       7.20895597       5.51290045       4.04532108      -1.22946391       1.02722094      -1.39551809 
O       3.49457999       8.75332414       1.46416516      -1.54093858       2.58217315       0.75265708 
O       8.97770828       3.26529009       6.33010658      -1.22033780       0.88781364      -0.24042750 
O       7.32947526       1.51443660       6.68794632      -0.04764255      -0.12275820       0.39178237 
O       1.89167556       3.60789878       9.04376522      -0.08482130      -0.18941882       0.11505509 
O       7.25953697       9.03712146       6.76053974      -0.24726874       1.09045579      -1.12648238 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004442049601526678 0.005455810243714174 -0.005327291891038933 0.005455810243714174 -0.005172235565303788 0.0029019752751593764 -0.005327291891038933 0.0029019752751593764 0.01804554476994151" pbc="T T T" energy=-1062.32982343 free_energy=-1062.32995959 config_type=crystal 
Hf       1.68602728       1.87135777       2.54919293      -0.96688419      -3.06440385       1.18858284 
Hf       3.54470095       7.15402511      10.28025252      -1.43595786       2.57053371      -0.12012587 
Hf       5.45982728       5.48711934       2.49015319      -5.40332415       0.37853971       2.05399734 
Hf       9.00712579       5.22956635       8.03005580       2.06656886       0.16443100      -1.16773837 
Hf      10.88880400       7.38441861       4.98768408       4.71869176      -3.58990448      -3.58487415 
Hf      10.82715361      10.78801888       0.00963593      -0.84282920      -0.02822608       1.34730427 
Hf       7.35906303       3.73624645       5.31152388      -2.61675423      -1.89092356      -3.31167311 
Hf       7.46187370       7.25310449       5.18016453      -3.46842988       1.40021230      -1.09260161 
Hf       1.71262603       5.11278273       2.64915772      -1.37987653       2.48880717       2.17755011 
Hf      10.74534022       3.37037565       5.39856051       3.05538109       2.99188009      -0.89654334 
Hf      10.43336889       3.61091957      10.49108617       3.09342583      -0.19367225       3.20738011 
Hf       1.61088555       5.27468611       7.81115963       0.46478605       1.72830293      -1.95557800 
Hf       9.26089316       8.91242520       7.64933395      -4.41525673       2.46218070       2.17007238 
Hf       2.05003665       1.74911806       8.40956861      -5.30741361       1.63941153      -4.88496057 
Hf       7.14711888       7.06191977      10.34637946       1.04257683       1.71137426       0.34705173 
Hf       8.99940510       9.22598285       2.84466446       1.28899120      -0.29167640      -3.38564328 
Hf       5.49082203       8.85857208       2.37010108       1.34302318      -1.16243438      -0.90408447 
Hf       5.40343160       8.97787229       7.72699240       0.35643884       0.63789813      -0.20656748 
Hf       0.21248286       0.15667825       5.53802192       0.59673703      -0.85788650       0.54782601 
Hf       3.49634588       3.44607033       5.28243677      -3.78718772       2.03850211      -1.71416475 
Hf       0.00430078       7.32101996      10.54284324       1.84915802       0.52568169       0.25945283 
Hf       2.05838556       9.22680532       7.77843485      -0.47362376      -1.61763988       0.40080151 
Hf       6.96122098       3.48775177      10.61337229       3.88588519      -1.57170674      -2.62812244 
Hf       8.78506466       5.45624095       2.40925407       3.47004002      -0.14578660      -0.76264529 
Hf       3.57182122       7.31204032       5.32731400      -0.98913816      -4.31228439      -2.02823356 
Hf       3.43728669      10.73522444       0.12731299      -0.15752407       0.01914004      -0.13520658 
Hf       7.05232220       0.04850320       5.22738418       1.08041696       0.80848665       2.03901879 
Hf       5.55673584       1.89522059       2.50510182      -3.80689793       1.39993078       0.42787373 
Hf       5.47894912       1.77313317       7.86883907      -1.04502954      -2.46604316      -1.16269176 
Hf       1.64205537       9.24712585       2.74234152      -2.14668776       0.45677726      -1.73060111 
Hf       3.83019394      10.78648658       4.80135069      -5.04636804       0.72688306       2.99307575 
Hf       3.51609823       3.72236575      10.61011099      -1.35397306      -1.67944700      -0.50138821 
Hf       7.28587585      10.62636661      10.15175705      -1.21555325       1.26978712       1.57779755 
Hf       8.88822789       1.72472858       2.60039367       2.53985490       0.00506044      -1.18268148 
Hf       5.52026189       5.18282268       7.60947393      -3.23909984       2.37476794       0.95921224 
Hf       9.00251880       1.58704409       7.95451975      -0.32576079      -1.09216026      -3.16754814 
O      10.83577028       9.03189589       1.47618836      -0.95242004       0.24843651       0.35692826 
O       4.63345860       7.10432979       3.61439219       2.80964220       0.84383772      -3.44178209 
O       0.16776145       5.32564269       4.21940954      -1.15906032       0.51339183       1.15753608 
O      10.85215662       1.58006742       4.06497793      -2.21175507       1.12624932       2.11833740 
O       1.62216870      10.94181560       4.08824109       1.36289353       0.07281430      -2.17495025 
O       1.53134280      10.84083053       1.28420428       0.53977878       2.35364724      -1.08139501 
O       1.75104040       3.07910273       1.03862453       1.09196463       2.39871489      -1.27743194 
O       0.02123032       1.84311462       9.79290394       0.32033738      -1.28898270      -0.82247435 
O       1.80602330      10.82482447       9.11782139      -1.10555697      -0.34339772       1.87924764 
O       2.12958696      10.76395677       6.47640042      -0.55128947       1.14578234      -0.52468908 
O       0.17395904       1.80351120       7.01358317      -1.63871272      -0.09709580      -1.37580034 
O       1.66902291       3.31531168       3.86984203      -0.82663299       2.25691533      -0.51936915 
O       1.82032702       6.76890615       0.60209788       0.62575158      -1.06474622       1.04220128 
O       1.48709097       7.58673561       8.94789366       1.30592736      -0.00687561      -0.56524525 
O      10.65095845       1.94374274       1.66527136      -1.49159803      -0.02825988       0.01713927 
O       3.61497033       5.57832081       7.07480005       0.97647472       0.42500024      -0.44528663 
O       3.28572927       2.34299878       6.91326295       2.60649886      -2.81577338       1.19339597 
O       5.24560308       3.60837898       8.74073253       0.60253516      -0.91697843       0.46608439 
O      10.78583360       4.89215847       1.79955326       0.24551912       0.19642957      -1.84895762 
O       1.56653040       7.34026801       6.29295918      -1.43412554       0.82433837      -0.72326096 
O      10.89648328       9.61780600       7.41166027       4.13112489       0.42120438      -2.31533357 
O       3.26955241       1.72136837       4.07222255       3.47878038      -1.99605933       0.83518246 
O       5.50521602      10.50461926       3.78050167      -0.24415609       0.53193766      -1.83752913 
O       5.32677576      10.14520659       0.87674433       1.46196870       1.34402880      -0.56835926 
O       3.88506136       1.42467989       1.43005670      -0.62490297      -0.94942061       0.74638121 
O       3.54222424       1.75951629       9.41510666       4.85237288      -0.76177030       3.89050365 
O       5.64879955      10.71949020       8.75828643       0.09265215       2.79695064       0.77067215 
O      10.40384641       9.07278083       9.75806580      -0.78287212      -0.57737333      -1.60721758 
O       2.78181528       5.64292746       4.50680208       0.14885434      -1.93393091      -0.97046160 
O       4.62317158       3.84280999       3.51388001       3.36614809      -0.61277594      -0.82125453 
O       5.38937735       3.32592092       0.85113014      -3.31481611      -0.03684351       2.08364106 
O       9.21255331       7.74672038       5.93713662      -0.29189304       0.05497486       1.67409937 
O       3.70764932       5.37458621       9.59730919       0.22907899       0.77220375      -0.20193025 
O       5.30057207       3.63347567       6.03867683       3.90043580       1.24374173       1.85731822 
O       0.04114635       5.60208590       9.13632521      -3.50292746      -1.49855922       1.79124384 
O       9.05335617       0.08133767       6.40184819       1.12843694      -0.18019656      -0.78472626 
O       1.73275407       3.84196167       6.49480017      -2.42043271       0.48486902      -2.30788733 
O       7.10176378       1.74245835       1.29751147       1.13026962      -0.70146718       1.67894788 
O       8.93856884       0.00633410       1.03802431       0.10883920      -0.36643792       0.63755169 
O       7.24648498       8.73190888       3.80022400      -1.20403333      -0.12872266       1.65158454 
O       6.58863777       2.04545934       4.30552825       0.86024421      -0.41945048      -1.65166266 
O       3.70076380       8.76324260       6.53682745       0.49609459       3.28385208       3.74965412 
O       8.54408251       7.18368672       8.57622591       0.88842254      -1.89448230      -0.70223524 
O       7.10867954       1.77625761       9.16959185       0.29899067       0.54981682       1.90716432 
O       7.05024933       8.93565071       9.30934545       1.27073591      -1.21185783       0.22322374 
O       5.36387102       7.27047227       8.77471366       0.48330470      -2.32020419       0.07583618 
O       9.17370005       7.24372253       3.23849357       0.91457909      -0.01523973       2.00590377 
O       5.59414423       7.34307987       6.05577241       1.69636254      -1.02278529       0.12257627 
O       7.44492717       8.57695555       1.42948103      -1.39166870       0.31495659      -0.74631381 
O       9.16975600       6.86702041       0.60129582      -2.28360270      -2.04120222      -0.20727202 
O       7.09494531       5.10376714       9.53901667       0.96731039       2.54695189      -2.79410870 
O       3.65536608       9.23672126       9.16585682       0.53576419      -1.15573713       0.33287643 
O       8.98924089       0.01847905       9.08570661       0.01793643      -1.42238942       0.10118651 
O       7.38501911       5.32406360       6.58423067      -0.16223097       1.82039575       0.52285988 
O       5.19315452       0.09746414       6.38583209      -1.69637932       0.75455357      -1.95084743 
O      10.55597650       5.15443579       6.61108441      -1.60684769       0.66421630       2.10946123 
O      10.72959547       9.37121197       4.16714452      -0.99657156      -0.79538059       1.24863265 
O       1.15454952       7.39722957       3.01012398      -0.24419568      -2.01889156       1.72309904 
O       2.89854127       8.96146491       4.20793022       3.43517286       0.19275773       1.05434234 
O       3.68319356       4.82689336       1.60565947      -1.80480506       2.12507077       0.04228885 
O       5.30008343       7.10204228       0.78976935      -0.18894846       0.31093514       1.32119825 
O       8.53618608       0.05997709       3.76390959      -0.28825539       0.90909383      -0.85520909 
O       9.19598970       3.32135303       8.87885161      -0.18128343       3.52574392       1.59805267 
O       7.00936219       5.28274743       1.39944178       0.67697912       0.53164139      -1.50696650 
O       8.71032786       3.83687994       1.00359762       1.03318575      -2.14113913      -1.64782453 
O       8.98631082       3.63996436       3.65195147      -1.72295628      -0.44722921       1.36016947 
O       7.10493324       5.83199022       3.74400679       0.43363314      -1.62908590       2.35270987 
O       3.17542864       9.12078893       1.25385604       0.82608179      -1.87725322       1.33844990 
O       8.74455769       3.35650295       6.46390337       3.85080233      -0.83233679       0.44903819 
O       7.18101817       1.58250611       6.70697957      -0.57238888       0.75278848       0.38088560 
O       1.93041565       3.77937782       9.03756798      -0.39122234      -1.68365830       1.58649330 
O       7.09757705       9.47719319       6.43686235       0.71041957      -2.96145917       1.67403016 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02644573796042749 -0.00020424506621286484 -0.0043132493261257305 -0.00020424506621286484 -0.0151536806272189 -4.208615899433801e-05 -0.0043132493261257305 -4.208615899433801e-05 -0.0037839404478220685" pbc="T T T" energy=-1059.85046271 free_energy=-1059.85049987 config_type=crystal 
Hf       1.60661742       1.48189859       2.12836446      -0.33635395       3.51876876      -1.75741996 
Hf       3.16842962       7.25932662      10.56546196       4.43578328      -0.21639377       0.06087402 
Hf       5.27840754       5.22593421       2.53033772       0.41685290       1.52117462       2.04163739 
Hf       9.02826134       5.75789710       7.80833614      -2.90682533      -2.50468276       2.39060660 
Hf       0.01360231       7.06029883       5.40346335      -1.77740299       1.32404276      -4.30742501 
Hf      10.63846214      10.54462115       0.13591058      -2.69606325       0.52410561      -0.38705952 
Hf       7.56380405       3.53493521       5.42354132      -4.85383865       3.27111299      -4.04131078 
Hf       7.39174587       7.60651371       5.26701345      -2.23767999      -4.03886609      -1.12319332 
Hf       1.75287739       5.21355996       2.66826781       0.43239730       1.59971242       1.70421193 
Hf      10.95053800       3.40192138       5.06043225      -0.29965155       1.86282826       0.75252985 
Hf      10.88869324       3.57395008       0.00223326      -2.14733548      -1.33199003      -1.14833632 
Hf       1.58613595       5.54964841       7.89109779       0.14100941      -2.10132156      -0.75367823 
Hf       8.88745921       9.09148404       7.91759684       0.37374706       3.70845416      -0.12461557 
Hf       1.89297012       2.07951497       8.13022488       1.40048759      -0.41027596      -3.84945240 
Hf       6.95513492       6.98927667       0.12753025      -0.12522931       2.44874685       0.62583354 
Hf       9.07957870       9.05329679       2.90493461      -3.89585176       0.11167089      -0.51714630 
Hf       5.43828209       8.92716913       2.52185078       0.18138916      -2.28694302      -2.04869689 
Hf       5.52851078       8.80840839       8.01965799      -0.32688834       3.67389023      -1.14822163 
Hf       0.13481632      10.89080665       5.09636210      -2.20208201      -0.50882952       1.91338935 
Hf       3.56613242       3.29987599       5.40920333      -2.44780081      -0.15376950      -2.83745955 
Hf      10.71569909       6.99228354      10.61030253      -1.21481971       1.27546735      -1.25329340 
Hf       1.74424264       9.19954756       7.65779878       1.95891192       1.12553590       0.96175259 
Hf       7.36968772       3.54053154      10.29423731       0.54385566      -0.20150977       0.25293065 
Hf       9.01022678       5.41463455       2.43670441      -1.76901765      -3.14249822       5.11922051 
Hf       3.61921720       7.20565778       5.42437707       1.07219780       1.76592372      -0.34846805 
Hf       3.53305878       0.01831273      10.35805595       1.92508009      -0.50411436      -0.61070353 
Hf       7.47040590       0.25073189       5.24988312      -0.65299149      -3.13437626       0.93616755 
Hf       5.27295967       1.74503706       2.35137502       0.05019690      -0.70780468       1.01405480 
Hf       5.47732719       2.03565263       7.88365982       0.01289440      -4.16256016      -0.69544118 
Hf       1.61991066       8.88367096       2.54021801       2.35502863      -1.79708528       2.69722820 
Hf       3.81987634      10.65779499       4.83297877       0.81364350       0.62178518       1.30451618 
Hf       3.50273641       3.75352637       0.04449841      -1.94295807      -0.58716425      -2.54634912 
Hf       7.21535033      10.85897049      10.24769727      -0.63871795       1.49783035       0.75858640 
Hf       8.52939018       1.70492353       2.50350768       5.94534598       0.55760707       0.03950764 
Hf       5.14555749       5.54300874       7.71698297       2.46908321      -1.28338408      -0.23577648 
Hf       9.50767728       1.83639071       7.79890567      -2.19480055      -1.50031969       3.09071260 
O      10.73682248       8.95764028       1.73861986       0.93582473       0.51094008      -2.35754804 
O       5.17271533       7.36608155       3.66399232       2.16833873      -0.12184527       0.04675131 
O      10.38389773       5.30459983       4.41596749       0.85995244      -0.49432577      -0.06560384 
O       0.00270504       2.09296872       3.67907370       1.96265205      -2.33588897      -0.24427318 
O       1.49593816      10.92386594       3.08970383      -1.45964242      -5.87735822       4.05344939 
O       1.61679083      10.94410408       0.51946229       0.31313165       0.00396829       0.93076581 
O       1.76414432       3.36869511       1.04290876      -1.07575016      -0.48983617      -0.00403611 
O       0.28768396       1.87627482       9.11251136      -4.68139287       0.55484132       2.96045501 
O       2.19006331       0.16680926       8.69703873      -0.49725523      -4.63773529      -0.76935162 
O       1.93713967      10.43441037       5.78140976      -0.24414572       0.28847090       0.14661400 
O       0.07822310       1.49167211       6.72210591       2.78628249      -0.26572835      -3.38880661 
O       1.80216559       3.95622464       4.21999095       0.34549418      -0.72366084      -1.74083282 
O       1.60755054       6.92539508       1.11981553      -2.09702920       2.14834176      -1.06170688 
O       2.04751053       7.22817236       8.88926994      -0.78374774       1.86481498       1.35789695 
O      10.49133468       1.35695242       1.12614340       2.03919716       2.21763908       0.48471882 
O       3.36327485       5.68924658       6.79331575       2.20902970      -2.42120639       1.95095546 
O       3.33243295       1.79503991       6.70835071       2.66685127       0.09183504      -1.76458334 
O       5.91508392       3.68317855       8.58878822      -0.82727207       3.52561864       1.36911887 
O      10.94617137       4.86759599       1.58015614      -0.24077142       2.34279104       0.88188126 
O       1.64865998       7.00873332       6.45518058       1.30831793       4.04066623      -1.73950709 
O       0.01022688       9.34096476       6.85402445      -1.04750148      -0.37340031      -0.39720597 
O       3.53636574       1.48480357       3.92628362      -0.69089575       0.68448724       1.37118010 
O       5.12062711      10.71372931       3.11386047      -0.08694949       1.10005162       1.70410117 
O       5.29545014      10.73208587       0.67490079       1.76738268       0.33812023       0.50149675 
O       3.60622864       1.66392596       1.38189489      -3.72565365      -1.88080076      -1.89447529 
O       3.72285778       1.91231162       9.13455888       1.32364106       0.69948072       2.88549166 
O       5.77625223      10.83400691       8.89079690      -1.75322028      -0.01239869      -2.95467468 
O      10.68793429       8.80830825       9.51543081       2.85907156       2.16898146       2.42213359 
O       3.47394842       5.87032165       4.19111259      -0.03792790      -4.35358048      -3.09069704 
O       4.70090100       3.46566152       3.32232928       0.77277607       1.27312408       0.48417015 
O       5.10312183       3.33892909       0.87540827       4.34554132       1.30767035      -0.00010952 
O       8.85896277       7.56885706       6.69444054       0.71402738      -2.78336159      -4.73993552 
O       3.81617540       5.37294653       9.45688458       0.90179264       1.62698185      -0.13790662 
O       5.32428644       3.77600370       5.99752198      -0.05552314       0.08532995       1.52268112 
O      10.92600620       5.31985540       9.38841405       0.12514294       1.33327672       2.00185237 
O       9.09705834       0.00165019       6.56411475      -0.91642107       0.66912836      -0.78175960 
O       1.59724686       3.68997006       6.60344482      -0.80090365       0.02196215      -0.89254294 
O       7.14532363       1.77621159       1.21028522      -2.07840619       0.13117230      -1.35738155 
O       8.79319981      10.65557903       1.28661696      -0.53595053      -1.22619379      -0.45323372 
O       7.36275476       9.26841336       4.25057600      -0.27141350       1.61758040      -2.39392552 
O       7.10767432       1.69702535       3.82553228      -2.40837765      -0.39744403       0.81675754 
O       3.70610091       8.99979470       7.10603921      -0.46512487      -0.79506844      -1.13951418 
O       9.32658161       7.42148605       8.76270406      -0.20465363      -4.12961239       4.15243079 
O       7.22557710       1.77642403       9.18271824      -0.10785936       0.42753047       0.65761762 
O       7.46059195       8.98264165       9.43544791      -0.45818308      -0.16204734       0.86434485 
O       6.01687765       7.14689867       8.84667199      -1.32431223      -2.48608886       0.36504713 
O       8.71829266       7.15221835       3.83428059       1.07102791       0.06585843      -1.92433101 
O       5.51160643       7.09225101       6.31653303      -0.53908854      -0.42292370       0.62943450 
O       7.27747052       8.31805891       1.72427985      -1.34162860       1.54863796       0.09918733 
O       9.03406386       6.92169820       1.22038277       2.21700043       0.33807774      -3.19924227 
O       7.59292268       5.48230341       9.78144545       0.50578252      -0.59167432      -0.77045499 
O       4.14879803       8.97490540       9.66212132      -2.22995989      -0.72618526       1.18250140 
O       8.99056284       0.09666249       9.10463601       2.15770235      -0.47727192       0.79394330 
O       7.36372360       5.04882806       6.83097110       0.57961604       1.59593638       1.23520030 
O       5.57983876      10.68590447       5.79595023      -2.44678208       0.66827476      -0.79410567 
O      10.73934324       5.91547768       6.93638145      -0.07770319      -3.12791479       1.36227121 
O      10.28354438       8.77660191       4.40871926       3.37786345       2.40530648       1.23736325 
O       1.34136149       7.00456554       3.68485906      -1.21407469       0.87424254      -0.84275143 
O       3.18829866       8.76210767       4.19141339      -0.67723942       2.23122329      -0.25079418 
O       3.32453597       5.32798256       1.36449086       0.85597423      -0.51819903       1.14546414 
O       5.08644231       6.97134082       1.01500615       0.73105172       0.08478311      -0.85698074 
O       9.19180813       0.11482600       3.93064842       0.30822996       0.02264869      -1.15074598 
O       9.02542867       3.75640056       9.02533963       1.38601768      -2.11889054      -1.00755875 
O       7.13545819       4.96845265       1.64122718      -1.65960068       1.33099958      -0.54562515 
O       9.03344123       3.60399154       0.97468610       0.45660624      -0.71511793      -0.39295804 
O       8.84791747       3.39148688       3.68357657       0.55084812      -0.14654040      -0.12184825 
O       7.28319492       5.24638764       4.24760148      -1.55009642       0.16385521      -0.62225208 
O       3.34990623       9.17003647       1.69641805      -0.19528883      -1.25911617      -1.91392260 
O       9.12030730       3.21501607       6.35908687       4.61373814      -0.18637429       1.30927065 
O       6.90265382       1.78256256       6.40872303       0.58282604       0.78569961       1.12841918 
O       1.96080496       3.82991971       8.92201406       0.42448691       1.04955637       3.49179526 
O       7.06696347       9.03581211       6.55837095       0.62717479       2.04383274       4.37989400 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01566181913668828 -0.0004007823367684483 -0.011393659427438826 -0.0004007823367684483 -0.009068989998583807 0.002269971501758666 -0.011393659427438826 0.002269971501758666 -0.01267329442109907" pbc="T T T" energy=-1064.48832444 free_energy=-1064.48832557 config_type=crystal 
Hf       1.58717764       1.77885001       2.30554989      -2.16284627      -2.14417630       4.18053971 
Hf       3.90298582       7.37577367      10.19240383      -3.10703224      -0.16092717       1.83796149 
Hf       5.32702720       5.26285056       2.46360152       2.10676651       0.16858789       0.84591664 
Hf       8.89804534       5.42000157       7.77900456       3.40604926      -1.95533732       0.03582937 
Hf       0.16633103       7.36092128       5.44657319      -1.01849386       0.74076993      -2.22036238 
Hf      10.70339244      10.67535099       0.00751375      -0.74605698      -0.83944750      -0.72031922 
Hf       7.31327922       3.48737719       5.12065149       2.03059687      -0.03372394      -0.31184319 
Hf       7.34668768       7.49430773       5.08587053      -0.66820085      -0.50098001      -0.53593589 
Hf       1.50443925       5.45958833       2.82464963       0.69290341       0.50835550      -1.54229540 
Hf       0.11146404       3.97502053       5.25561991      -1.43859597      -2.67128039       0.55292048 
Hf      10.63381066       3.39446888      10.48912512      -0.51342054      -1.03037479      -0.56760349 
Hf       1.79253559       5.34413872       8.09815219      -1.52932756      -0.66988842      -2.51406867 
Hf       9.03800101       9.02384936       7.73639556       0.63508457      -0.28066334       0.24631063 
Hf       1.83146577       1.72869662       7.96203722      -0.75241069      -0.89693219      -3.58089110 
Hf       7.41239925       7.02337448      10.34116615      -0.75889488       0.88454281       2.84182480 
Hf       8.95042685       9.25036850       2.68732093       2.15965110       0.38055624       3.05025304 
Hf       5.61908775       8.89166456       2.52165627      -0.92500843       1.64695676      -1.36258164 
Hf       5.34510328       8.95684707       7.75098025       0.61256621       2.90447113      -0.50507624 
Hf       0.05848543       0.05621370       5.40376649       0.33400905      -0.18835494      -0.28880669 
Hf       3.81725161       3.76409354       5.35704130      -3.61578643      -1.21833143       1.44729408 
Hf       0.01870332       6.89027003      10.34419265      -0.66386298       1.87656358       2.37542721 
Hf       1.70502279       8.93865956       7.87916014       3.03056266      -3.28006869       1.87724635 
Hf       6.99693622       3.49621233       0.07059006      -2.21929401      -0.69665036      -0.71333505 
Hf       8.90933824       5.43403116       2.42173761      -0.79919216      -0.16129574       0.92646397 
Hf       3.71327150       7.19224873       5.49823661      -3.26089764       2.95851035      -1.82257872 
Hf       3.57007352      10.92381215      10.56997164       1.24480773      -0.18096940      -0.53419870 
Hf       7.16053702       0.01190917       5.47496410      -0.44894153      -0.53537780      -0.93178206 
Hf       5.04286767       1.79818341       2.75699445       1.02229543      -0.33832403      -1.44085164 
Hf       5.25236228       1.65400223       7.96235152       0.89085013       0.08864436      -1.48283806 
Hf       1.94793407       8.79601364       2.41062234       0.53807625       2.82059811       4.08866915 
Hf       3.62489570      10.82512302       4.71030310      -0.96411623      -2.68418319       1.77805031 
Hf       3.20297312       3.76039194      10.57886364       1.46165413      -3.11107595       2.15138322 
Hf       7.20084141      10.66490039      10.29106232       0.16391351       3.25113636       3.42561398 
Hf       8.75084490       1.72610356       2.39112397       0.61282094      -0.44544073       0.82422181 
Hf       5.58039028       5.23703374       7.84733500      -0.62232949      -0.72262761       0.12909561 
Hf       9.04049843       1.58405617       8.09347416       1.33526449       1.14230081      -1.09685276 
O      10.31388253       9.28124798       1.36229491       3.37136141       0.48482620      -0.32522307 
O       5.62854782       7.32434905       3.63205196      -0.15276846      -2.78138395       0.41500679 
O      10.64688238       5.61047327       4.23010699       0.46697193      -0.13169967      -1.35442339 
O       0.46934189       1.50433998       4.22403496      -0.40017351       1.14138411      -1.60079292 
O       2.35908668      10.77316802       3.09970370      -1.57306016      -0.28832358      -1.41589889 
O       1.68913955       0.10830565       0.48584128      -1.51261517       0.16309323       1.44759178 
O       1.53486811       3.27027901       1.04183747      -1.73667137       3.73583580      -2.34141652 
O      10.63167589       1.51474205       9.64423091       0.67983162       1.64991073      -1.41778092 
O       1.58860324      10.65975162       8.41005265       0.29678151       5.57214685       2.17350980 
O       2.00345842      10.86934363       5.90828834      -0.71421341      -0.65571246      -0.15064688 
O       0.03478475       1.62047862       6.85937562      -1.08980289      -0.68667117       1.22159172 
O       1.79489749       3.75047260       3.63715462      -1.38596597      -1.24944076       1.07977862 
O       1.46523178       7.67795571       0.99739007      -0.35713953      -2.91567385      -1.15435699 
O       1.90565366       7.01921996       9.29391065      -0.20565517      -0.11676078      -1.40248994 
O      10.46873869       1.84980337       1.34855565       1.70688987      -0.43908472       1.13838017 
O       3.58158750       5.09256956       7.31505371       2.73619181      -0.22157652      -2.51057026 
O       3.74481569       1.80628110       6.75994462      -1.63925032       1.64339008       0.13050185 
O       5.70130760       3.31899727       8.92084306      -0.55974670       1.05273075      -0.30353626 
O      10.68755313       5.52753624       1.42150652       2.63115169      -1.08015038       0.26540971 
O       1.90461273       7.21877715       6.61061163      -0.22801478      -0.26346091      -1.21820233 
O       0.05377106       9.18331964       6.93117579      -3.02657265      -1.09662240      -1.91663730 
O       3.49352953       1.66600201       4.11684288       0.47213922       2.82053608       0.42404198 
O       5.37926343      10.79694726       3.27676977      -2.05611351      -0.41674460       0.12478288 
O       5.43716020       0.28273371       0.58582669       0.10991946       0.02423722       2.23770855 
O       3.33036117       1.98835842       1.56198480       3.48589468      -0.98511609      -1.26940606 
O       3.31493862       1.87863167       9.36025740       3.35731958      -2.49544541       1.71088997 
O       5.53354111      10.94383051       8.96317019      -0.37665323      -0.55901053      -1.67354783 
O      10.94218361       8.69963415       9.54094860      -0.24753040       1.63521818      -1.16738997 
O       3.29092778       5.63605476       4.44120329       0.75890719      -2.33527300       0.76186694 
O       4.89811382       3.66742765       3.81378809       1.79385883       0.14453921      -3.45563680 
O       5.08395464       3.74827713       0.91719172       1.27643659      -0.05102091       0.00169724 
O       9.13982344       7.24490326       6.25134846      -0.28304781       0.63877075       1.52030451 
O       3.84229506       5.36468012       9.66918323      -0.70331571      -0.31244266       0.33528607 
O       5.69399075       3.82368991       6.14071959      -3.86650945       1.05930513       1.55096786 
O       0.06404122       5.16876219       9.23936773      -0.91350081       1.29345828       1.44164709 
O       8.93041725      10.82854031       6.60565374      -0.23936174       0.25269719      -1.37303743 
O       1.59386825       3.74119407       6.55822778       1.56438084      -0.95289253      -0.46226231 
O       6.89664719       2.28223297       1.92140518       0.04735820       0.62577401      -0.75862548 
O       8.61462918       0.04998960       1.20221983       0.22441439       0.74539780      -2.74255964 
O       7.11650727       9.24349481       4.06398444      -0.08257571       0.15879537       2.51705917 
O       6.50386265       1.54827617       4.44197368       1.04660385       2.67969917      -0.30469230 
O       3.61226441       8.79199115       6.90410723      -1.43338343       1.16958419       0.51062341 
O       8.88351308       7.15078607       8.93819236       0.76377330      -0.08958951      -1.40912888 
O       7.77097445       1.75091945       9.79172912      -1.21402869      -0.89929904      -0.49478353 
O       7.02293295       9.02116372       9.36917790       0.91000704      -3.29337740      -1.04611578 
O       5.15438956       7.24738699       8.69904581       1.23971601      -2.13780820       1.00649161 
O       8.84036649       7.39647843       3.81872016      -0.43980189      -1.27967484      -2.24336607 
O       5.32028345       7.23862624       6.44227017       4.58047182      -1.92230639      -0.76112549 
O       7.42817271       9.03120182       1.62688941      -5.06474795      -1.05162711      -3.28337671 
O       8.99968777       7.19208428       0.90141870      -0.16025136      -1.48756477      -0.86584950 
O       7.17574362       5.23386449       9.26139506       0.53676434       1.05354268       0.56420934 
O       3.46198600       9.17948219       9.51745192       0.62639481       0.86379856      -1.31293623 
O       9.20157047      10.66149045       9.00089304      -1.13622831      -1.43545943       0.96917382 
O       7.37470206       5.24742353       6.71291693      -1.78956155       1.50346075      -0.99740724 
O       5.22362699      10.66612484       6.41149730       1.82708186       0.84695281      -1.73997068 
O       0.20344273       5.70642427       6.60144455      -1.82251268      -1.82703063       2.04822131 
O      10.67513943       9.24935189       4.15027459       1.09025279       0.13372620       1.54922696 
O       1.46736031       7.18333219       3.77780382      -0.02032139       1.43118244      -0.51064289 
O       3.43595794       8.72073322       4.09612866       0.82231527       0.19083411       0.33440436 
O       3.50164113       5.26329603       1.92159363      -4.18668345       1.22384631      -1.55933772 
O       5.47832890       7.40326359       0.62890805       2.08930899      -0.33122017       2.04066463 
O       8.77597490       0.09072740       3.58895253      -0.02708290       1.97956739       2.45936593 
O       9.34127569       3.48812362       8.67871243      -0.26172886       1.44474080       0.13243432 
O       7.11257330       5.45604275       1.35651677      -0.92040049       0.51464640      -1.43178122 
O       8.75313482       3.82304284       0.76930087       3.32322443       0.08162131       0.04517225 
O       9.24967630       3.51187261       3.33856794      -0.59115796       0.11551414       0.50034311 
O       7.05577038       5.07625608       3.70459255       1.08305907      -0.15979892       2.21214745 
O       3.67931897       9.08004783       1.40167982       0.81005706       0.03425498      -0.08409953 
O       9.18264804       3.62903893       6.06327627       0.39110427       0.71679618      -0.72335713 
O       7.23569058       2.04799730       6.73322820       0.40554336      -2.78382100       2.26821850 
O       1.70092163       3.34435077       9.08662581      -1.08269234       3.44250118       0.81899592 
O       7.18437575       8.96364461       6.67013350       0.89278063      -0.24041258       0.39220778 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009436647778851424 0.00042182144042430414 -0.009754719790004317 0.00042182144042430414 -0.0028831854740792883 0.002667426053106467 -0.009754719790004317 0.002667426053106467 -0.009938348252797075" pbc="T T T" energy=-1067.14320761 free_energy=-1067.14320943 config_type=crystal 
Hf       1.57285388       1.76364243       2.30801550      -2.37939292      -2.19069364       3.96758351 
Hf       3.90003263       7.37415174      10.21392852      -4.39635435      -0.70837485       1.55799897 
Hf       5.31781002       5.27387811       2.46474361       2.64019668      -0.21514669       1.13872014 
Hf       8.90938743       5.41703030       7.78656402       3.69433886      -1.63164870       0.38078468 
Hf       0.15216657       7.34704627       5.45606765      -1.42701155       0.87915614      -2.33743942 
Hf      10.69264898      10.67345933      10.62825916      -0.69481867      -0.18440642      -0.58997271 
Hf       7.30415561       3.48011851       5.11724447       1.17890552       0.68258727       0.18373833 
Hf       7.34016744       7.51459857       5.10633040      -0.47944639      -1.05532915      -1.20022032 
Hf       1.50888256       5.45596354       2.84300209       1.03877347       0.30539578      -0.89885607 
Hf       0.09751640       3.96875085       5.26590687      -0.91804883      -3.61911338       1.20959962 
Hf      10.64134565       3.41962583      10.49539740      -0.83595580      -1.56107139      -0.57882371 
Hf       1.79790403       5.34914342       8.11841659      -1.08793018      -1.42273377      -2.72769782 
Hf       9.03897280       9.01864219       7.72368243       0.60897661      -0.30154108       0.68014737 
Hf       1.83505802       1.74264208       7.93945283      -0.57127285      -0.45506789      -2.68608910 
Hf       7.40477311       7.05090241      10.33416738      -0.26541697       0.34801619       2.49956023 
Hf       8.96151071       9.24205015       2.65748373       1.09706371       0.47040828       1.98036446 
Hf       5.63071525       8.88950064       2.51650918      -1.81226462       0.75947566      -0.24508938 
Hf       5.33279071       8.98445443       7.77101772      -0.09988960       1.28502295      -0.55459665 
Hf       0.05827705       0.05657908       5.38611278      -0.04378711      -0.50287848      -0.58936989 
Hf       3.81767046       3.75625693       5.38497771      -3.53583076      -1.04866261       0.34441200 
Hf       0.02457507       6.88081862      10.34965702      -1.05255270       2.82562779       2.40851366 
Hf       1.69066846       8.93466873       7.89879765       2.35068508      -2.80680413       1.67890120 
Hf       7.00416883       3.48650367       0.03865321      -1.66397725      -0.40622140      -0.60459760 
Hf       8.89831321       5.44659463       2.39246035      -0.99733234      -0.20275608       1.61592560 
Hf       3.70640253       7.18129930       5.51692006      -1.92686586       2.41989869      -1.41157381 
Hf       3.58044720      10.93451682      10.57098118       0.91465042      -0.25623984      -0.93214415 
Hf       7.18699083       0.01572098       5.45839519      -0.24880713      -0.58964365      -0.88552647 
Hf       5.03980799       1.78492544       2.74959156       0.73321043       0.33774178      -1.39661576 
Hf       5.26790314       1.64501316       7.96903259       0.88519389       1.45441314      -2.07734941 
Hf       1.95486549       8.79088591       2.41792552      -0.47927914       2.48344354       2.74566915 
Hf       3.62836174      10.80958774       4.70459895      -1.44879320      -2.22439392       1.65136540 
Hf       3.22156337       3.75426228      10.55802432       1.10714644      -3.90974680       2.35494722 
Hf       7.16498461      10.67242969      10.28113111       1.22993789       3.02602474       3.11067132 
Hf       8.74656845       1.73467553       2.41517888       0.85700327      -0.34375205       0.36720108 
Hf       5.57690321       5.22948023       7.86216469       0.10563142      -0.34486495       0.17288218 
Hf       9.05073144       1.60322183       8.08320708       1.21952701       1.18108576      -0.72361725 
O      10.38496057       9.25903239       1.36588794       2.44375208       0.75583435       0.14523481 
O       5.59199302       7.25195400       3.63694895       0.40573411      -1.15279517      -0.12387503 
O      10.65203181       5.55872008       4.29394339       0.61542965       1.43146301      -2.43033549 
O       0.45452708       1.43811655       4.13327053      -0.56957866       1.51115227      -1.30337144 
O       2.27967671      10.79915664       3.12153344      -0.51721515      -1.09472657      -1.17359552 
O       1.72907011       0.05027654       0.51372859      -2.10097851       0.13092589       1.05219239 
O       1.52619698       3.25812782       1.04212743      -1.56270607       4.06865136      -2.37225152 
O      10.67215721       1.52202615       9.59994996       0.85863580       1.38507936      -1.27847638 
O       1.67489521      10.68809622       8.40157050       0.50129214       4.71256443       1.81410269 
O       1.96730669      10.86348655       5.86510920       0.26877264      -0.71796462       0.05831413 
O       0.08553897       1.60926176       6.81478760      -0.97753849      -0.28714895       1.40352896 
O       1.85627146       3.71718258       3.65698600      -1.83338791      -0.50921427       0.67456174 
O       1.48565409       7.66711058       0.91244789       0.27541312      -2.04024449       0.46898169 
O       1.92285151       6.99580020       9.27380739      -0.40447402       0.33035275      -1.58539394 
O      10.45033415       1.77583558       1.30839684       1.89939884      -0.06202598       1.24505576 
O       3.65139574       5.11121427       7.27878576       0.33987702       0.20041169      -2.41101458 
O       3.76934924       1.81696605       6.75356733      -1.96636919       1.53041816       0.15956966 
O       5.67485401       3.33717689       8.91892974      -0.21951373       0.86533434      -0.24502753 
O      10.61950804       5.54015295       1.40054453       3.99196247      -1.46935991       0.39182947 
O       1.83589813       7.24772794       6.57247925       0.49678971      -0.32379600      -0.81257088 
O       0.00137038       9.14708935       6.97225082      -2.02890568      -0.91719364      -1.93137291 
O       3.51858251       1.67738135       4.13041037       0.49738088       1.84332784       0.52001981 
O       5.44200056      10.80751760       3.24074522      -2.36017634      -0.27205463       0.48370010 
O       5.46811429       0.22358391       0.56610320      -0.61120509       0.22534550       2.24292234 
O       3.30864604       1.95945354       1.53346815       4.12297027      -1.18846451      -1.02788730 
O       3.40562932       1.89896086       9.38632354       1.79392651      -1.97203202       0.97176547 
O       5.52046140      10.94530804       8.89477300       0.05963276      -1.52975053      -0.64438154 
O       0.01431840       8.73251300       9.51803587      -0.33601075       1.17438406      -0.89172411 
O       3.28854124       5.63758707       4.42008804       0.36652266      -1.98620380       0.99056027 
O       4.91336161       3.64354259       3.78771196       1.24372341       0.63206492      -2.63724803 
O       5.13058535       3.69093868       0.90416024      -0.05354771       0.82568434       0.27194595 
O       9.08777401       7.20233099       6.29893523       0.34655601       0.99192511       0.08693630 
O       3.79223819       5.31007914       9.59886868      -0.57444116       0.50758921       0.68863476 
O       5.62441566       3.88914006       6.16816378      -1.46110759       0.40872095       0.85968078 
O      10.93999076       5.20918468       9.25697924       0.17585747       0.96723871       0.84415859 
O       8.98632440      10.80031984       6.59365338      -0.85906427       0.59222288      -1.48743004 
O       1.59221784       3.78871156       6.59230563       1.76743143      -1.27147109      -0.76940809 
O       6.87581907       2.28323610       1.97952360       0.53831734       0.44022689      -0.88907237 
O       8.59083778       0.10686921       1.14660858       0.28627359      -0.45096432      -1.94805223 
O       7.18667661       9.33192956       4.04105758      -0.81987992      -1.38008062       2.74287765 
O       6.52188560       1.62033970       4.53348756       0.79901679       1.71535296      -0.79312426 
O       3.58680979       8.77976721       6.88030880      -0.68390802       1.20008558       0.97483183 
O       8.86546953       7.13428667       8.86215121       0.54724018       0.58692219      -0.28988135 
O       7.80990298       1.75316762       9.79754169      -1.72006787      -0.64526373      -0.60658535 
O       7.02087837       8.97651528       9.43976137       0.58892466      -2.61144302      -1.56967555 
O       5.16090663       7.22281805       8.77427872       1.66860254      -1.21253821      -0.81004622 
O       8.79707627       7.40153320       3.70045723      -0.40370986      -1.25842245      -1.10772936 
O       5.36818385       7.23054926       6.45739067       3.17478137      -1.47175594      -1.01590499 
O       7.33527481       9.03686783       1.60194687      -1.92198675      -0.76585319      -2.68221172 
O       9.03308352       7.15077161       0.87057962      -0.61927706      -0.30857087      -1.14165582 
O       7.17464967       5.25501900       9.30890987       0.41584984       0.60035675       0.32303539 
O       3.53752324       9.14945968       9.47139104       0.51030955       1.62001359      -0.79808238 
O       9.15907916      10.69131476       9.02078500      -0.96300496      -1.85602934       0.48373321 
O       7.39232698       5.29478095       6.74180389      -2.39516290       0.59860641      -1.39707176 
O       5.24395366      10.67767991       6.37971170       1.67021969       0.38119484      -1.59840185 
O       0.17046627       5.68308997       6.61884688      -1.83978976      -1.56580873       2.27543409 
O      10.73330966       9.23883095       4.19307609       0.20561808      -0.04258577       1.10874664 
O       1.45617281       7.26168687       3.73903125      -0.36521443      -0.25399359      -0.37134446 
O       3.47728748       8.69458365       4.11676253       0.58510512       0.81736285       0.08709716 
O       3.47281557       5.37370841       1.95207250      -3.20556027       0.62714679      -1.93763556 
O       5.45711052       7.35871660       0.59997304       3.06306007      -0.46630205       3.23438380 
O       8.78858230       0.08328839       3.60296039       0.18419970       1.99163945       1.93449803 
O       9.36035293       3.51153999       8.71299074      -0.48194080       0.80366293      -0.36393235 
O       7.20939399       5.44184312       1.33789731      -2.89845147       0.74308936      -0.94041731 
O       8.74944297       3.79667186       0.77552532       3.56435710      -0.35969072       0.04017577 
O       9.23237568       3.51737625       3.34855229      -0.49603136      -0.00870849       0.32477059 
O       7.04854479       5.10463321       3.77365043       0.87788391      -0.25921769       1.55173736 
O       3.65812524       9.04242515       1.44254875       1.65163418       0.29435949      -0.61800616 
O       9.18099675       3.52450061       6.00108770       0.28837203       0.73092200      -0.14206191 
O       7.23263714       2.05077815       6.82157815       0.23678026      -2.44691249       1.97748090 
O       1.63342018       3.37797616       9.07704026      -0.06905441       2.49246635       1.02624348 
O       7.18339968       8.90825841       6.64223684       0.76728586       0.86771185       1.00123599 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.013609644365620743 -0.0030062303228435678 -0.002663967982424326 -0.0030062303228435678 -0.0033157886970959353 0.0031483857862570058 -0.002663967982424326 0.0031483857862570058 -0.01870730913863551" pbc="T T T" energy=-1067.96588244 free_energy=-1067.96588438 config_type=crystal 
Hf       1.47105609       1.65833062       2.35389026       0.86231485      -0.62591601      -0.44571347 
Hf       3.82654548       7.35339703      10.36672241      -0.02901681      -0.09873027       2.49014906 
Hf       5.30091730       5.33587702       2.48922071       0.04550485       2.34640320      -1.40760929 
Hf       9.01313560       5.38253380       7.82868451      -3.60417184       1.52645471       1.05260582 
Hf       0.02872828       7.28584759       5.46343376       0.12354054       1.52323250      -2.07375570 
Hf      10.62386656      10.67861501      10.57456283       0.54608556       1.58202620       0.48124751 
Hf       7.27830690       3.50574131       5.11824359       0.91808788       3.14211198       0.70691160 
Hf       7.29333930       7.58029403       5.20150140      -1.02962421      -3.64525520      -0.10308210 
Hf       1.55569766       5.43269815       2.92912845       2.01484148      -0.86049513      -1.52970894 
Hf       0.01802032       3.87058290       5.34922877       0.81725909      -0.52869556      -0.94826813 
Hf      10.67371022       3.52999581      10.51472018       2.35362178      -1.11860242      -1.52468252 
Hf       1.81383460       5.33226778       8.16928136       0.32876131       0.60355881      -4.37543977 
Hf       9.03127862       8.98275472       7.68020716      -0.06036300       0.99248811       0.93825606 
Hf       1.84185403       1.83379479       7.78777030      -0.99308321      -0.52386526       1.38911131 
Hf       7.35957084       7.18066615      10.33529033      -2.48230452      -0.18260180       0.27394945 
Hf       9.03107605       9.20817847       2.50979973      -0.33578253       1.06502673       0.33129194 
Hf       5.63562583       8.87000378       2.50431761      -1.32508431      -1.41315571      -0.40036406 
Hf       5.26371587       9.11695937       7.85906772       1.38414389      -4.50733679      -3.24728807 
Hf       0.04406350       0.05304512       5.26547725      -0.61808557      -0.55838550      -1.16692439 
Hf       3.75112744       3.69677089       5.51563172      -1.59412191       0.26324921      -3.02594555 
Hf       0.03168727       6.90165321      10.43228697       1.45657336       3.89828457       2.86499703 
Hf       1.63516306       8.90153187       8.02564711       1.57580316       2.78229640      -2.91463295 
Hf       7.03622597       3.44403723      10.49074488      -0.64017305       2.13653525       2.21808769 
Hf       8.82990614       5.50543602       2.26119667       0.00332962      -1.78912146       1.02234032 
Hf       3.67007671       7.14248088       5.60164084       1.12864982       0.69835000      -1.08172708 
Hf       3.63114850       0.04042326      10.56260606      -2.86552060      -1.16292150      -0.96709362 
Hf       7.33568063       0.03433413       5.35849449       0.21200544      -1.37236830       0.19538077 
Hf       5.03268549       1.73300825       2.68179332       1.66935572       1.09775550      -0.24516534 
Hf       5.35887881       1.64120792       7.96100451      -1.93227818       1.00669085      -1.37208438 
Hf       1.97610129       8.81033259       2.46730956       0.11558556      -0.10403966      -1.82865539 
Hf       3.62039070      10.70223768       4.69824950       0.71042864       0.13023228       1.57692499 
Hf       3.33578877       3.64187005      10.49154067       0.43758420      -1.89070353       1.94714156 
Hf       7.00769852      10.73485577      10.25911941       1.67733139      -1.51777490       1.27068873 
Hf       8.74973342       1.78266566       2.53849675       3.10786878       0.00783434      -1.75331003 
Hf       5.57775887       5.20264789       7.94795953       0.57631641       2.44184806      -1.48651332 
Hf       9.12945720       1.72236931       8.02391979       1.14316699      -1.64752231      -0.62108266 
O      10.88171547       9.27326993       1.59021224      -2.46111534      -0.29903178       0.49192976 
O       5.52274408       6.99179567       3.56397683       0.64024982       2.64955507       0.30272283 
O      10.80291839       5.62310291       4.19705197      -1.03116224      -2.49409656       1.56702571 
O       0.14212353       1.33907026       3.71201382       0.05125842       0.67225493       2.39745552 
O       2.03883392      10.65794333       3.13491035       1.28322276       1.22996836       0.68892776 
O       1.68304177      10.73498330       0.69740780       0.70992040       0.75255714      -1.19194414 
O       1.48976982       3.64477437       0.89767177       2.34091163      -2.26386523       1.14428398 
O       0.02724253       1.64637675       9.24401622      -1.30192902      -0.64753743       1.65506890 
O       2.23678824       0.06056564       8.57831132      -0.48223419      -0.81716757      -0.18538390 
O       1.97146866      10.70252374       5.74090285      -1.17484801       0.68057245       1.29636546 
O       0.18793232       1.56801867       6.75234127      -0.63006706       0.37072853      -0.74154765 
O       1.72816383       3.54431092       3.78434672      -1.82272882      -0.23007946      -0.17865223 
O       1.80218914       7.43527658       0.74031272      -1.20761195       1.39595354      -0.59868908 
O       1.95117146       7.21810083       8.90417966      -0.22069649      -1.55505350       1.37699771 
O      10.70691589       1.43217402       1.31624679      -0.13470686       1.33447434      -0.61610128 
O       3.61374315       5.46010217       6.82256590       0.60106985      -0.35018202       2.99224486 
O       3.63744536       2.06812117       6.85671497       1.05879698      -0.19491852       0.82305833 
O       5.57371841       3.46984573       8.90058972       0.31810520      -0.63475638       0.15888549 
O       0.02386283       5.36769280       1.44491094      -1.94659446       1.30470711      -0.18365832 
O       1.75913535       7.32345340       6.40356711      -0.21823846      -1.28364509       0.04501205 
O      10.86304239       8.82771352       6.85856962       0.55286972       1.00247900       1.59778794 
O       3.73209523       1.75800524       4.28440492      -0.21722403      -0.14297229      -0.59167166 
O       5.35207327      10.77252787       3.25164313      -0.61443054      -0.44836877       0.62193317 
O       5.37678288       0.00283421       0.79239726       1.83405798       0.30775668      -0.52883214 
O       3.59963740       1.59175791       1.32357484      -2.74768761       1.18418957       1.61921289 
O       3.95200789       1.78074748       9.57826351      -1.09681702       1.28670250      -0.79813744 
O       5.57040959      10.76343581       8.67732736       0.54752950       4.33490417       1.62642831 
O       0.13277193       9.04266750       9.35078973      -1.05040346      -0.27103141       1.86749286 
O       3.25368286       5.47628911       4.50170739      -0.43883255       0.31369091      -1.30158503 
O       5.08184528       3.70348276       3.43885947      -0.61290914      -1.64224999       2.11797818 
O       5.17252097       3.65957790       0.84635528      -0.79856029       0.70739976      -0.72258239 
O       9.01021473       7.21573795       6.18626550       0.69882784       0.22500267      -1.26051607 
O       3.46964764       5.26311877       9.36435318       0.97776271       0.48440708       1.37269042 
O       5.55392114       3.99828439       6.25242464      -0.32526913      -2.22506726      -0.62306560 
O      10.68803717       5.39622705       9.34881731       1.11026397      -0.86115937       0.22433551 
O       9.09617090      10.84240896       6.32066442       1.18154182       0.61178469       1.40456050 
O       1.84095728       3.78861044       6.51416409      -1.60751600      -0.07960429      -0.17827508 
O       6.97087836       2.29377182       2.09355374      -1.08922117      -0.40573069      -1.33293148 
O       8.60641327       0.15223220       0.84604406       2.03827652      -0.93028525       2.26620340 
O       7.35969651       9.28775508       4.18929482      -0.30903207      -0.17558353      -1.79806244 
O       6.61228947       1.72569117       4.74452572       0.10737635       0.93355357      -1.52978869 
O       3.48744062       8.86975815       6.93521141       1.11116535      -0.35773223      -0.32395178 
O       8.85497719       7.26031441       8.66817250       0.34579781      -0.91563528       1.00922674 
O       7.60811384       1.73144702       9.72499143      -0.62310635      -0.12958132       0.88649298 
O       6.99922274       8.90536997       9.37660799      -0.38810760       0.06970025      -0.80890585 
O       5.36400775       7.02576354       8.90925873      -0.76611555       0.66647643       0.10854350 
O       8.53503263       7.34097358       3.02857454       0.71634293       0.54961088       0.98775156 
O       5.68615578       7.12826821       6.27105345      -2.57004754       1.21527462      -0.02086342 
O       7.18579981       9.04157726       1.13108025       1.38077633      -0.27505142       2.42827227 
O       9.15212177       7.05515937       0.55723085       0.20918646      -0.17804243       1.28418565 
O       7.23676339       5.27987071       9.47933367       0.55496945      -0.53803609      -1.06196914 
O       3.91276438       9.18502549       9.32172069      -1.67288173      -1.38787255       3.27074986 
O       8.87611362      10.55979631       9.04118120       1.54820904       0.97207079      -0.80955906 
O       7.26130538       5.43229803       6.79858082       2.36219277      -1.40307218       1.22872145 
O       5.47122569      10.73626866       5.99644102      -2.39864612      -0.40158614       1.41109332 
O      10.69547815       5.36800603       6.96714624       3.37053654      -0.58180705      -3.41858074 
O      10.87841257       9.12781578       4.51236264      -1.75470706       0.11660746      -1.65236441 
O       1.30819537       7.30717344       3.61023339       0.98621521       0.71965725       0.07236601 
O       3.74294583       8.77494821       4.19955553      -0.59111617      -0.76926253      -1.02000133 
O       3.16379217       5.92633683       1.75452797       2.57492957      -2.33219097       0.12624383 
O       5.56495240       7.02386038       0.96564550      -1.52121254       1.32068489      -1.83581797 
O       8.91213421       0.29677372       3.83632082      -0.93015857      -1.52636784      -1.02215098 
O       9.28902269       3.58072571       8.71551130      -0.56389179      -0.82995101      -0.00167836 
O       7.08592338       5.38721738       1.25478279       2.04468542      -1.31219286       1.84754038 
O       9.03639935       3.54839269       0.82977255      -2.32666623       0.39956484       0.34918109 
O       9.06529087       3.53866978       3.41219354       0.12717689       0.78773060       0.07240547 
O       7.17731778       5.23599719       4.18538845       0.97613050       0.48468707      -1.59642918 
O       3.89997117       8.89519733       1.46345153      -1.40785974       0.10762331      -0.43156914 
O       9.20736181       3.04973265       5.82666240      -0.60560165       0.52322052       1.81660332 
O       7.21744939       1.72072120       7.46840053       0.87464014      -0.05013404      -3.09427415 
O       1.51718107       3.71376365       9.14185303       1.36770033      -2.91962158      -0.65836918 
O       7.27736918       9.04388876       6.77277435      -0.59823210       0.40808950      -0.74336732 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0121166273917458 0.010363044001796485 0.012448789572301317 0.010363044001796485 -0.02033842666093159 -0.00818665735082982 0.012448789572301317 -0.00818665735082982 0.0017082094972983893" pbc="T T T" energy=-1062.66813609 free_energy=-1062.66813987 config_type=crystal 
Hf       1.49890570       1.95326756       2.56896627       0.61529880      -3.41774295      -1.51888121 
Hf       3.35726012       7.20481931      10.28672654       3.29674148       0.61806126      -1.60089196 
Hf       5.33266033       5.59156968       2.53822476       1.04746653      -0.47222971       0.60969433 
Hf       8.87528534       5.25239931       8.26610379       1.87098493       0.80125380      -0.98342911 
Hf      10.73103048       7.10248677       5.17217025       1.08672735       2.40708234       0.65911468 
Hf      10.62629879      10.81449723       0.18641448      -0.09116200      -0.27218141      -0.96134496 
Hf       7.55541361       3.68396990       5.26941954      -1.71170227       1.02221027      -0.64319193 
Hf       7.20625082       7.43584180       4.98204465      -1.03876978      -0.76136180      -2.05255564 
Hf       2.05005889       5.56494452       2.30145624      -4.02732425      -0.64116904      -1.04426987 
Hf       0.00574730       3.70875566       4.92669849      -0.03543350      -1.75185453       0.68425543 
Hf      10.83417826       3.49265776      10.57958185      -1.29370153      -0.00185283      -0.33483745 
Hf       1.66468291       5.20160400       7.65061847      -0.23942277       0.71728450       0.84407026 
Hf       8.83005700       8.87285662       7.88965139       6.68970579      -0.00636457      -2.84225580 
Hf       1.83227432       1.66415066       8.37617186       0.42077217      -3.04261062      -1.19676141 
Hf       7.31773875       7.42329839       0.18061732      -1.70042976      -6.01116870      -3.61611136 
Hf       9.13540116       9.20916868       2.57106709       0.92069213      -0.93187392       3.51354788 
Hf       5.67649829       9.41767538       2.13015778      -3.68258952      -0.66714245       3.18748607 
Hf       5.54433913       8.83437148       7.90880347      -2.76230488      -2.43389976       2.31204801 
Hf       0.05299099      10.78453279       5.34899684       0.27553435      -0.86346107      -0.25184753 
Hf       3.33318190       3.39851088       5.36446852       2.85094080       4.13190527       0.64562205 
Hf      10.86190209       7.14419122      10.62357283       3.22039702      -0.25632045      -2.06516514 
Hf       1.95434892       8.67879693       7.69251235       0.27998999       1.25237320      -0.54442614 
Hf       7.09946937       3.36958058      10.58923075      -1.24040169       4.57048864       1.79503638 
Hf       9.04523032       5.38110787       2.49362494       0.43981682       2.25478444      -1.42354544 
Hf       3.83595701       7.00456171       5.26817680       0.94413003       2.41288787      -1.32538009 
Hf       3.16519267       0.00679272       0.17105399       1.85360727      -0.80298275       1.04750940 
Hf       7.22763179       0.04226113       5.44546331       0.32218015      -1.41302047      -2.46857018 
Hf       5.42856423       1.92159048       2.37156693      -2.38068138      -0.87536488       2.60757384 
Hf       5.54214924       1.72669847       7.78004780      -0.66296022      -0.43197359      -1.39116643 
Hf       1.75595537       8.86035396       2.72421642       0.49087850       1.27592967       0.46205505 
Hf       3.48162299      10.82328931       5.06473657       1.21019217      -1.18571499      -1.76110752 
Hf       3.57784187       3.76153334      10.47558814       1.68308446      -0.69407740      -0.13751986 
Hf       7.10688549      10.87548206      10.20910199       0.98521832      -0.12427104       0.68197527 
Hf       8.68234953       1.77948502       2.72510415       2.79025543      -1.02902412      -2.48847682 
Hf       5.30336695       5.03921987       7.72029794       2.74042610       1.33740788      -0.93742860 
Hf       9.27216831       1.87399674       7.59976593       1.65900196      -2.19320063       2.57076856 
O       0.09585152       8.98580903       1.32719338      -1.36604187       1.30757983       1.30592712 
O       5.38085391       7.61172044       3.78651163      -0.32197434      -1.44987405       0.35409841 
O      10.62466931       5.43481189       4.17302087      -1.53444332      -0.64494220       0.35471150 
O       0.17436781       1.69061905       4.13028814      -0.58374134       1.50252149       1.25504413 
O       1.71082081      10.72481251       3.63502096      -0.57764829       2.42514263       0.09747660 
O       1.48477060       0.35263442       1.06345855      -0.54553265      -1.07154863       1.03520882 
O       1.73283350       3.50236576       0.51796010       2.15279400       0.46470303       2.88815775 
O       0.43758439       1.36551037       9.80012422      -1.27311266       1.33088306      -0.79086440 
O       2.24156451      10.66061013       9.08501424      -1.63909828       0.09930949      -1.49644360 
O       1.99610771      10.74436054       6.28611166      -1.25053783      -0.45607730       1.16705585 
O       0.15047924       1.42782952       7.22167157      -0.17794565      -1.13917202      -2.48061161 
O       1.67393700       3.74903309       3.49521102       0.43070000       0.60518517       0.32129249 
O       1.84350761       7.21348277       0.84206594      -1.29759442      -0.82877774       1.73300005 
O       1.68589274       7.00184703       8.90520037       0.89193914      -0.08696784      -0.44203136 
O      10.59718092       2.02158096       1.41221890      -0.16861187      -0.08227842       2.13390649 
O       3.59896142       5.34319661       6.49770434       0.36100676      -1.35460859       1.06096569 
O       3.67825021       2.12755561       6.97772581      -0.54572527       1.09991213       2.83704394 
O       5.24423325       3.43640078       9.26438244       1.37970663      -0.53847025      -3.31335848 
O       0.13723825       5.07150479       1.64659749      -1.54865900       0.31751681      -0.25301510 
O       1.83520647       7.03502016       6.02886722      -1.19074838       0.04146366       0.93605585 
O       0.10575290       8.92822386       6.99220389      -0.23611151       0.05682432      -1.44968455 
O       3.27811496       1.82725373       4.61116950      -1.17958786      -5.16515922      -3.81308457 
O       5.37835332      10.95325640       3.66009806       0.08489348      -0.27740405      -1.21486354 
O       5.31312458      10.94367275       0.71009235       0.30047417      -1.68279638       0.91954813 
O       3.51787409       1.46509614       1.81390964      -0.20305783       1.17979998       0.79330430 
O       3.30515765       1.86336219       9.90811996       0.60545561      -0.79411214      -1.38229401 
O       5.67623808      10.60518548       8.80811157      -0.96139223       3.34635711      -1.03950870 
O      10.63538679       8.66951490       9.47471834      -1.17186353       1.80860321      -0.49236030 
O       3.38552265       5.73216342       3.64129100       2.65015445       0.17170872       1.73261892 
O       5.03166012       3.56022440       3.44041619      -0.89889065       1.50081864       1.30913401 
O       5.38479304       3.64914198       1.18818583       0.47422230      -0.54625666      -2.44117306 
O       8.70197271       7.62154162       6.19698314       3.02174263      -0.40600197       1.40550372 
O       3.65267003       5.26629239       9.07345967      -1.17280602       0.86232068      -0.30820206 
O       5.71646326       3.51164232       6.02051272      -3.51573044      -0.57459412       2.84997629 
O      10.47336070       5.36124881       9.65358762       0.70074435       1.45406104       0.93877313 
O       9.07919842      10.56582310       6.57443190      -0.18875803       1.02969301      -0.53129919 
O       1.47698680       3.68236265       6.27456219       1.40019874      -0.46993265      -1.70278959 
O       7.07946996       1.51411383       1.30628646       1.65889039       0.85479731       1.33260915 
O       9.00059810      10.89015499       1.51229571       0.79543589       0.07237380      -0.43791298 
O       7.42614771       9.18245477       3.97734725       0.16015803       2.25017924      -1.71766758 
O       7.21950857       2.01553533       3.92624642      -1.78533540      -0.86828495       1.60037770 
O       3.83855884       8.50873494       6.58358570       0.45112270       1.59470667       2.24165572 
O       8.39257472       7.13329953       8.88230539       1.88277777      -1.13457847       0.36956324 
O       7.21935990       1.79475835       9.62467493      -0.49329819      -1.90294379      -5.04704786 
O       7.46914497       9.12257607       9.05083807      -5.16273723       1.19632018       4.14258352 
O       5.71655890       7.16594260       9.27532925      -0.70188826       0.26237655      -0.55991285 
O       8.80201841       7.21709540       3.61881407       1.51948865      -0.41787426      -1.01391764 
O       5.82945785       6.70694055       6.21801379      -3.16829779      -0.25846311       2.27572584 
O       7.43803771       9.00432084       1.18988594       0.86147901       3.11865252       0.94987988 
O       9.36546391       7.02269904       1.07998218      -4.66102263       0.74810352       1.22775528 
O       7.38861257       5.05462411       9.42254653      -2.00762837      -2.08128250       2.24338957 
O       3.61978461       8.85589640       9.15007329       0.59593123      -1.75188441       0.37888009 
O       8.97595970      10.92146000       9.46965702       1.70661649       0.71168223      -0.64851791 
O       7.38502426       4.95248648       6.92900928       0.68198930      -0.64455116       0.37209377 
O       5.30074430       0.47947630       6.20076175       0.34074088      -0.39555292       0.30205658 
O      10.81392018       5.43821044       7.00026588      -1.60288317       1.44991641      -1.28018870 
O       0.02254701       8.95033909       4.07042784      -2.52027991       1.49519536       1.62051323 
O       1.14695450       7.05961243       3.48464590       1.72101166      -0.49493883      -1.74638528 
O       3.15579330       9.01704075       4.23604159       0.64668185      -2.10922060       0.00970465 
O       3.75015466       5.47866722       0.95561842      -0.40643828       1.06054849       2.21003577 
O       5.38140741       7.58277611       1.36663845       0.54074397      -0.86754792      -1.99984640 
O       9.15027371       0.11232047       4.05136325      -0.26282964       0.29851291      -0.58699329 
O       9.62016823       3.31315192       8.87420365      -2.02645275      -0.54812429      -0.14222845 
O       7.05917584       5.67777444       1.47398093       0.77495584       1.11470613       0.33762897 
O       8.68826829       3.78170761       1.04537172       1.32956575      -0.47918985      -0.59960729 
O       8.85612801       3.76265830       3.46071046       1.52557816      -3.54789668       2.55888224 
O       7.09643051       5.35762741       4.27547358      -0.44216905       1.06315560      -1.21567834 
O       3.44459532       9.13250330       1.44848377      -0.17019599       1.06277577      -0.35165843 
O       9.33951539       3.28312897       6.15676141       1.41207163       0.45058701      -0.91889386 
O       7.58648121       1.70328517       6.61185501      -3.25631391      -0.09688570       0.54074779 
O       1.25910198       3.44991391       8.76741674       0.95295183       3.61064031       0.07457288 
O       6.72228322       9.31999946       6.47700967       1.45493742      -0.34534734      -0.90334761 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01564316159942808 0.0013596530131068057 0.006531646582618764 0.0013596530131068057 -0.0034310947174195595 0.0032225008922062534 0.006531646582618764 0.0032225008922062534 -0.010525419295894898" pbc="T T T" energy=-1063.31878071 free_energy=-1063.31878516 config_type=crystal 
Hf       1.85503223       1.71081566       2.79168208      -2.66379287      -1.65904216      -1.37320337 
Hf       3.59312187       6.95880058      10.35584182      -2.87730132       0.87038040       0.99750489 
Hf       5.55546286       5.48814789       2.66043179      -3.15333926       2.30962103      -0.43365656 
Hf       9.09267605       5.10695928       7.96497624      -0.59203974      -1.24048976       0.26122735 
Hf      10.78725514       7.35476576       5.28926654      -0.86986846      -0.29329202      -2.08530957 
Hf      10.78739844      10.92969344      10.29529596       0.40702146      -1.22772530       1.35139778 
Hf       7.21585737       3.48409138       5.24809490       1.48784675      -0.74014650      -0.13953724 
Hf       7.24928807       7.44468066       4.97956182      -1.03148177       1.20875566      -0.12775125 
Hf       1.85402647       5.41605861       2.35890864       0.24505029       2.08738825       1.74201938 
Hf      10.81543353       3.63237470       5.03741366       0.62427516      -0.45544960      -0.32826677 
Hf      10.92981604       3.74960883       0.03590869       1.35051504      -1.81496982      -2.08258672 
Hf       1.40156525       5.38571827       7.96147016       3.96600125       0.52502609      -2.69826275 
Hf       8.99497296       8.94192072       7.89182183      -3.09007809      -0.17339914      -0.09104137 
Hf       1.74894572       1.53044276       8.21747175       0.59247588       1.05638741      -3.50048713 
Hf       7.21398182       6.81349882      10.36422353       0.81447818       2.51723237       2.24914077 
Hf       9.05685486       9.22099656       2.47917354      -0.57865055      -1.09644663      -2.22906009 
Hf       5.32150526       9.03486858       2.43915227       1.39701323       0.81352247       0.79124598 
Hf       5.36935428       8.59509331       8.19362836       1.87602541       3.70089132      -1.41957687 
Hf       0.05060609      10.79497255       5.41371534      -1.15036716       3.12213678      -2.57010347 
Hf       3.45391483       3.83207256       5.30461588      -2.13579655       0.30117254       1.47118412 
Hf       0.02908259       7.44220746      10.53386886       0.12009333       0.18848784      -1.26490897 
Hf       1.77257157       9.14871522       7.40233948       1.23542675      -2.90810225       3.29275607 
Hf       7.21568065       3.37796586       0.15346352       0.78232644      -1.24365198      -0.12461870 
Hf       9.12899322       5.64947827       2.47290913       0.08766054      -1.60151686       0.86625023 
Hf       3.61414129       7.18606680       5.32241999      -0.53620789       1.56920094      -1.72757272 
Hf       3.41942687      10.60995540       0.16599968      -1.33241751       0.18831250       0.49110450 
Hf       7.13031380      10.94802885       5.37506925       1.05994062      -2.33258989      -1.70612434 
Hf       5.09075087       2.07328331       2.81579121       5.35007696      -2.67962405      -1.68616128 
Hf       5.29169223       1.52114725       7.89701984      -0.36760147       2.83974105      -1.64691224 
Hf       1.58881611       9.24929053       2.68260420      -2.19949342      -1.39809692      -0.82965431 
Hf       3.84610490      10.92329864       4.84270951      -2.19360513      -0.89997620       2.43507333 
Hf       3.62777910       3.46761498      10.56670545       1.00560252       0.71174548      -3.49629272 
Hf       6.85251423      10.94420718      10.50040504       3.42957394      -2.30470481       0.20098693 
Hf       9.25642968       1.79552888       2.32415500      -0.64934619      -1.33460350       2.10458874 
Hf       5.36225534       5.21405681       7.61270174      -1.60006708      -2.46341694      -0.32649524 
Hf       9.23284898       1.50349911       7.71451470       0.38446215       4.54914853      -1.72623890 
O      10.85636920       8.84959725       1.37330421      -0.62933001       0.17177449       0.30622354 
O       5.51492205       7.36501553       3.65338532      -0.43803075      -3.48413259      -2.16438185 
O      10.41647507       5.61660611       4.11184162       1.49093393      -1.02022528      -0.16123268 
O       0.01880707       1.69242142       4.13004846       0.55887858       0.28954043       0.42511226 
O       2.02686646      10.74902341       3.88482754      -0.77458845       4.04323974       0.53890702 
O       1.40506745      10.93135459       1.40467124      -0.32125012       0.83633010      -2.84118855 
O       1.95196226       3.65895582       0.72582359      -1.76249961      -0.31748819       1.42681899 
O      10.81543288       1.68571700       9.24297436       2.47342680      -1.97429928       1.14669499 
O       1.60594571      10.41400690       9.03990211      -0.49935428       0.69202086       0.21509740 
O       2.02782709      10.81053785       6.39246416      -1.52230875      -0.76310837      -0.45516993 
O       0.18988972       1.64691008       6.68461381       0.04475671      -2.01859921       1.17796197 
O       1.71518437       3.60933160       3.45173841      -1.29163892       1.62525323       0.16092661 
O       1.86199006       7.16268769       0.80340870       0.91922191      -0.64379376      -0.43953013 
O       1.84346127       7.48150159       8.96885256      -0.58645753       0.51221793      -1.19132213 
O       0.14980073       1.98468871       1.61427193      -0.23625757       1.73859988      -1.54627443 
O       3.53982290       5.73084695       6.69778283      -0.17913117      -1.49037438       1.44191217 
O       3.34505568       1.96332857       6.80030421       0.22266006      -0.63078183       1.48136453 
O       5.22315544       3.49892974       8.87442080      -1.75551019       0.79693197       0.67482856 
O       0.11279794       5.24550853       1.40289461      -0.33343529       1.86153517       0.94744172 
O       1.66425135       7.38372137       6.10588751       0.50577886       0.73640864       0.32262967 
O      10.69476305       8.85667866       6.97410611       4.10900120       2.38563414      -2.40152243 
O       3.54900502       2.25334440       4.03305766       0.30375824      -2.44253698       0.62931652 
O       5.02126200      10.90583741       3.35043023       0.84227142       2.26797272      -0.77523717 
O       5.28294529      10.55533985       0.92715470       0.01770066       0.23961136      -1.16664483 
O       3.65334602       1.36949704       1.58517473      -1.07190866       2.15723899      -0.88987036 
O       3.40369318       1.04619972       9.37415461       1.04531311       3.84594020      -0.02298891 
O       5.68209067      10.77583406       8.77887236       0.13999619      -1.78854879      -0.13170109 
O      10.29807620       9.14989748       9.43549170       1.47298125      -1.34361458       2.44719215 
O       3.33962720       5.53036070       4.11692015       0.87471427      -0.18464991      -0.54171700 
O       5.67140167       3.82337393       3.68544036       0.04275020       0.42614750       1.05126233 
O       5.29037456       3.71898714       0.93765360       1.38895026      -1.20979727       1.52574452 
O       8.88449047       7.87897639       5.90205922       1.60682095      -0.46229812       0.04506093 
O       3.00872094       5.34898335       9.31464773       3.12858647      -0.34794125       1.75048835 
O       5.06795538       3.65828115       6.38083306       2.66017419      -0.10100921      -2.07531821 
O       0.18622877       5.53803362       9.41740805      -3.26859163      -0.77930068       1.66572851 
O       8.98030090       0.29124554       5.87299623       3.56582687      -0.14214002       1.47571142 
O       1.74858669       3.87451841       6.27809208      -2.88940871       1.42171950      -1.36046485 
O       7.09917543       1.72396254       1.92595386       0.19524855       1.22150592      -3.28187954 
O       9.15723877       0.33524177       0.63304336      -1.51830140       0.84199594       0.88682398 
O       6.98357462       9.24734300       3.94730502       0.10440772       1.74555462       1.14264030 
O       6.87307886       1.54186527       4.26365360      -0.49366913       3.43387900      -0.33707524 
O       3.77047486       8.76537870       6.95326073      -0.35685096       0.37714328       0.49813888 
O       9.08610234       7.06951206       8.42718447      -1.36325664      -2.21621780       1.71864575 
O       6.84695779       1.83663875       9.56068739       0.13631554      -0.53902296       1.36921212 
O       7.18270178       8.74353890       9.73823889      -0.53405737       0.44377936      -2.58092939 
O       5.70170213       6.71936103       8.83252245      -1.12910394       1.32645874       1.80987509 
O       8.64757694       7.47455636       3.27458647       0.73742067      -1.22773667      -0.02540603 
O       5.43510222       7.15195048       6.06183509       3.02259371      -0.51713182       2.29322457 
O       7.46393200       9.36449025       1.40739599      -1.45120912       0.65542053       0.12972275 
O       9.07631600       6.81728872       0.61237666       0.74387143       0.18200983       0.30383361 
O       7.52184531       4.95145826       9.73048588       0.22270577       1.29732994      -0.81371371 
O       4.03317673       9.01837772       9.67505937       0.01976553      -2.32558487      -0.21427525 
O       8.87721842      10.89169880       8.65099975      -0.73111522      -1.29688950       1.07993053 
O       7.28100471       4.95282677       7.23525341       0.42973135      -0.04363947      -1.86925560 
O       5.37020753       0.48100543       6.02192766      -2.05297596      -0.69935759       2.04705777 
O      10.54010794       5.85405824       6.62590081       0.68853183      -2.48608679       2.24943249 
O       0.09912058       9.15693266       4.10579223      -1.76453633       0.19163997       2.85595936 
O       1.56664621       7.40129337       3.26304826       0.43146863      -3.77358317       0.96419814 
O       3.80156514       9.03436734       4.20720660      -0.09221196      -0.96507652       0.87695350 
O       3.63396124       5.35213703       1.47491703       1.86092801       0.85022429      -0.86861805 
O       5.50671798       7.44142060       0.87673987      -1.19799529      -1.27315495       0.08863443 
O       9.34694235      10.82502551       3.32747626       0.00002824       4.10860743       0.97200606 
O       9.18057746       3.12762411       9.07623362      -0.59457144       3.22286541      -0.42054846 
O       7.16634776       5.42272008       1.67853731       1.27464028      -0.15418371      -0.73495785 
O       9.33505213       3.83180688       1.08060186      -4.61139074      -1.70065434       0.04207280 
O       8.80844553       3.48624675       3.51674761       0.62548054      -0.24122407       0.98767430 
O       7.81190935       5.59817330       4.63804886      -1.92106437      -2.36837663      -0.71354100 
O       3.20771554       9.45575307       1.73195250       4.64493735      -2.56302651      -0.51920205 
O       9.36199283       3.24437629       6.30186384      -1.25368962       2.22174087      -0.49890673 
O       7.15039670       2.04563278       6.77294697       0.36535646      -0.68969820       1.48626786 
O       1.59049534       3.53918921       8.75807726      -0.29584362      -2.01509863       0.64959478 
O       7.32757943       9.41873789       6.82119593      -3.33279660      -0.59203315       0.95167764 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00925510097794082 0.005585315603676546 -0.003216930694835914 0.005585315603676546 0.006968022204958641 0.01100474343533749 -0.003216930694835914 0.01100474343533749 -0.008601212157944878" pbc="T T T" energy=-1063.81298926 free_energy=-1063.81301154 config_type=crystal 
Hf       1.95326844       1.71932771       2.69355473      -3.24911924       3.47874015       0.54220906 
Hf       3.60958151       6.93422715       0.03780300       2.69163667      -0.00115027      -0.98196397 
Hf       5.46557217       5.33377007       2.57157824       2.07989615       3.96787455       1.35317828 
Hf       9.11014024       4.94748780       7.80055571      -1.40631218       3.14245565       5.23874224 
Hf      10.80879201       7.35454992       5.34739335       0.59745909       0.06737043      -3.49383609 
Hf      10.84719816      10.86205559      10.14852690      -0.97313674      -0.16808656       2.89114417 
Hf       7.21327033       3.51306660       5.29595803      -1.23433551       2.11397467      -2.52529255 
Hf       7.27246089       7.28497045       5.19086198      -0.18034089       0.80414662      -3.29905216 
Hf       1.83360777       5.46643463       2.47823404      -1.46576221      -0.99031997       0.32753217 
Hf      10.62803345       3.63576569       5.10043332       4.71091262       0.47692580      -2.17148103 
Hf       0.07121762       3.76255093      10.59091884      -1.00924765      -1.20199998      -0.16138671 
Hf       1.53135693       5.45882963       8.04468790       0.73406522      -3.40264091      -0.81384229 
Hf       8.94239139       8.99183757       7.75887760      -1.41218620       0.11406760       1.69760376 
Hf       1.81176699       1.45788424       8.09924167       0.39630534       4.72423781      -2.35541498 
Hf       7.37262272       6.78811947      10.36567365      -1.53154137       0.62051481      -2.45518700 
Hf       8.86243779       9.20672253       2.31875663       1.09532363       1.60569792       4.91396874 
Hf       5.22646711       8.98949419       2.47133646       1.26948856      -0.67970910       1.23493521 
Hf       5.52606321       8.86041038       8.11080315      -1.48676389      -1.47567319       0.16763727 
Hf      10.89138644       0.09392152       5.35664505       0.32819978      -1.43153075      -2.29097854 
Hf       3.40498347       4.07177461       5.26019006      -2.27480488      -5.77676086       0.06691105 
Hf      10.94285368       7.35997753      10.50333599      -2.93918453      -1.87296447      -1.55305501 
Hf       1.70028081       9.29783646       7.59397759       1.64259982      -3.04988077      -1.83499437 
Hf       7.20627887       3.34630116       0.15571719       0.21437922       0.11059409      -1.39166459 
Hf       9.05628887       5.61551730       2.50359101      -0.23377979       0.54755374       0.96101720 
Hf       3.58309812       7.26153239       5.32781973       0.21031827       2.64003965      -2.11393530 
Hf       3.39949133      10.54884962       0.04545099       1.45194531       0.63932530      -0.31075583 
Hf       7.12708759       0.09804579       5.47559110       0.10879278      -4.17320209      -1.09093934 
Hf       5.27791068       1.97485121       2.77693084      -0.16426181      -1.63134510       2.26636634 
Hf       5.33122926       1.51021930       7.97849686      -3.49081410       5.10152094      -1.57192446 
Hf       1.60430439       9.19148843       2.53178805      -0.80731325      -1.34518534       2.56613754 
Hf       3.82351888      10.89059706       4.91737686      -1.54091392      -0.67116742       0.32245187 
Hf       3.63908492       3.27953212      10.57774207       0.61643753       4.06069656       0.19956564 
Hf       7.04521866      10.77064771      10.58512009       0.36576039       0.80708337      -1.18401805 
Hf       9.29100496       1.84501987       2.24850309      -0.35853003      -1.11486221       0.62451241 
Hf       5.41646552       5.31751553       7.51073360       1.11857936      -1.08944946       4.00177910 
Hf       9.05810012       1.54908462       7.74344323       3.39659609       0.50252250       4.19843118 
O      10.72585147       8.99268195       1.70402130       1.44243381      -0.81808868      -2.41921777 
O       5.63441903       7.31000809       3.77703428      -0.30903000      -2.07825056      -0.70074628 
O      10.94492316       5.57953791       4.23008106      -2.29511746       0.37632944      -0.12170082 
O       0.13717613       1.74199326       4.16459303      -0.40368526       0.38662182       0.32303367 
O       1.96203620       0.09627223       3.67763602      -0.07132350      -4.08456241      -1.14255872 
O       1.61304487      10.76814065       0.88783421      -0.99231942      -0.32954221       1.91879197 
O       1.84237707       3.98420330       0.87500840       1.13644418      -0.54959412      -1.11830114 
O      10.79352274       1.59292954       9.25993654       0.70199422      -1.77040500       0.69809120 
O       1.81574938      10.70021980       9.15606145      -0.08813981      -1.42634804      -2.15724537 
O       1.85301370      10.75110648       6.09938214       1.10752592      -0.06164684       1.68636787 
O       0.00032035       1.41918393       6.92679802       0.93914715       1.37171646      -1.12486930 
O       1.65330948       3.65438640       3.41609714       1.40209795      -0.26922592      -0.04019624 
O       1.55418058       7.12123643       0.87894220       3.15724635      -0.23137472       0.13657094 
O       1.63986077       7.32647003       8.53566915      -0.21918698       1.84131395       1.38027107 
O       0.02089342       2.22015769       1.26867340       1.51024332      -2.80264951       1.96624087 
O       3.44807407       5.41488424       6.77183475       0.94692236       2.11100889       0.21254890 
O       3.38340672       1.86378739       6.88212795      -1.05500588      -0.02015316       1.44958897 
O       4.74711801       3.56218355       8.66243666       2.52758487      -0.55022613      -0.36045875 
O      10.77651607       5.37000156       1.61157121       2.84234087      -0.71397675      -0.16611149 
O       1.73555859       7.77368902       5.81445436      -0.02352609      -0.35843390       2.16838518 
O      10.82925102       9.51647955       6.73944404       0.32061277      -2.71349795       3.10907273 
O       3.62876207       1.80031052       4.21789810       0.01454041       2.44031170      -1.33687444 
O       5.36647964       0.10793533       3.43020661      -1.82779770      -3.38385444       0.15912168 
O       5.18909269      10.62471192       0.94980542       0.20529088       0.67133930      -1.11879886 
O       3.47017506       1.83985006       1.52929797       1.15639528      -0.73515077      -0.04083476 
O       3.42526763       1.65984715       9.63691816      -0.85264167      -3.97838241      -1.42220540 
O       5.60554296      10.83110193       8.74975007      -0.40419630      -5.16251869       3.35568037 
O      10.47348932       9.00803350       9.39718234       0.78465100       0.50839913      -0.33469085 
O       3.73831265       5.41311561       4.00722579      -0.39629217       2.71948596       0.17709115 
O       5.50315125       3.80025053       3.70521498       1.36031637      -1.86214186       0.06909932 
O       5.42031337       3.25965782       1.34234513       1.05053177       3.41923407      -4.58166297 
O       9.02297704       7.88063283       6.03587748      -0.17797900      -0.72142057       1.02701114 
O       3.42971215       5.07468192       9.67131626      -2.62480229       3.42629911       0.16599300 
O       5.30002405       3.59525961       5.93158233       1.59781144       1.21744479       3.05812651 
O      10.87262309       5.39729515       9.50919116       0.65963783       3.42660424      -0.25700857 
O       9.06050134      10.94676727       6.49382486      -1.50227365       0.11445610      -3.55686121 
O       1.44058954       4.33974643       5.75616078       1.89445798      -1.19526394       2.12920022 
O       7.40095527       1.69207072       1.31471100       0.00666143      -0.71427732       1.72659327 
O       9.26302136       0.09737693       0.70754266      -1.24885748      -0.87679168       1.14290781 
O       7.06941696       9.22819158       4.45501621       0.43564431       0.69402258      -0.18591465 
O       6.66005829       1.66116691       4.35705637       2.20799257       3.24335473       1.60732840 
O       3.71729301       8.88691086       6.90540514      -0.38792071      -0.73465756       0.22014452 
O       8.82380540       7.02803165       8.70478164       0.49870419       0.10073350      -0.82217115 
O       6.53396503       1.73205365       9.71123347       1.04357001       1.41921530       1.08498969 
O       7.15555248       8.65330243       9.40640236      -0.34761551       1.44347197       1.44881727 
O       5.27632261       6.73317841       9.14584326      -0.00630397       0.60366741      -1.41127420 
O       8.99068018       7.49910218       3.47286770      -0.05914415      -0.34070687      -1.10610510 
O       5.83342436       7.19574632       6.52564830      -3.17799062      -0.61282925       0.76035590 
O       7.08565583       9.26532946       1.58298824       1.13777696       0.46817406      -1.64174820 
O       9.16867004       6.87881422       0.74846346      -0.79683914       1.73302234      -0.02612049 
O       7.28722059       5.04323776       9.18737608      -0.25999664      -0.84133087       1.92398627 
O       3.80046242       8.90605768       9.71621156      -0.21323340      -0.57381373      -0.80892544 
O       8.52419901      10.81339364       8.85264857       0.91970218       0.58683555       0.88261833 
O       7.40685825       5.29660666       6.63962104      -1.02826652      -1.01077033      -0.26344911 
O       5.11001820       0.11068792       6.34728485       2.19431653       0.73946978      -0.78523054 
O      10.77685987       5.63225204       6.97705959      -0.61025994       1.63606643      -1.16462553 
O      10.93780143       9.17879623       4.23113492       0.92061318       0.15171216      -0.07835619 
O       2.01804984       7.20968739       3.47991207      -0.22776551       0.97345035      -0.73110824 
O       3.87015638       8.93233510       4.07427607      -0.89808502       1.49646957       1.77073731 
O       3.89918935       5.38918913       1.53557035      -3.42053691       0.64511874      -1.19930792 
O       5.44035496       7.35985099       1.03791292      -0.41355226       0.03494731      -0.57351890 
O       8.79838441       0.14276610       3.46206034       0.91280224      -0.43089790      -0.51339298 
O       9.40113642       3.35732552       9.05111049      -2.14046455       0.31337831      -1.31824654 
O       7.20367748       5.69529681       1.50649090      -0.20439660      -2.32642923      -0.61450866 
O       9.06856244       3.65982014       1.01567142      -2.04414872       0.30613380      -0.02677605 
O       9.20984948       3.27900546       3.74325532      -2.39442423       1.00756776      -0.85632226 
O       7.58041871       5.51253112       4.05356462      -0.40121402      -2.00288526       1.39905001 
O       3.40948605       8.74024421       1.63685325      -1.34394739       1.56597374      -1.18750495 
O       9.14209758       3.59000905       6.39227199      -1.44863959      -3.19273755      -1.08805081 
O       7.19518329       1.56032646       7.29968226      -1.12419758       1.65068411      -3.63006493 
O       1.31992706       3.48044270       8.69044482       1.04929910      -0.56534746       0.35979190 
O       6.95752574       9.43750684       6.91265423       2.09131488      -0.26045268       0.60404192 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0189388808362769 0.0012827726814374446 0.01834249403497475 0.0012827726814374446 -0.03023175219958871 -0.0029641710834780897 0.01834249403497475 -0.0029641710834780897 -0.014622633513589715" pbc="T T T" energy=-1057.8857634 free_energy=-1057.8858157 config_type=crystal 
Hf       2.01028039       1.93708380       2.51985604      -0.18660114       0.23446735      -1.81358466 
Hf       3.38679213       7.13021607       0.21474151       0.12463469      -1.22744180      -1.37071276 
Hf       5.64962092       5.43149572       2.33862734      -0.19329849      -0.50945741       1.10022309 
Hf       9.18920465       5.50763971       7.70881883      -5.37877177      -1.78470637       3.50896792 
Hf       0.01987287       7.38504847       5.27998073      -1.84686926      -0.67474193      -0.44094937 
Hf      10.86879966      10.84250811       0.18055174      -0.78148162      -0.18889666       0.62025155 
Hf       7.03561956       3.41677651       4.78527231       2.98342124       2.24133611      -0.23684161 
Hf       7.21657609       7.36279968       5.12050885      -0.35233285      -3.41532582       0.05681591 
Hf       1.72887926       5.44216939       2.66319639      -1.22031629      -0.78181170      -1.65604946 
Hf      10.81463638       3.89439741       5.32970245      -1.22478042      -1.97011199      -0.49239635 
Hf       0.05588393       3.03840042      10.43190496      -2.47600383       6.60390653       2.24969476 
Hf       1.90843725       5.30105490       7.73291754      -0.74627567       1.57428251       1.56133655 
Hf       9.32861636       9.08335512       7.95475476      -0.22748632      -0.16445799       1.01272813 
Hf       1.33626081       1.99860338       7.75221438       3.43450235      -2.84413548      -0.92976781 
Hf       7.18975043       7.49980337      10.50275076       0.11490392      -4.51821152      -0.87790204 
Hf       9.08870077       9.09739863       2.90376925      -0.63883317       1.16342462      -1.63935794 
Hf       5.49985196       9.07187696       2.51369855      -0.97215273       1.30926478       0.79157814 
Hf       5.25824225       8.89077877       7.54318744      -1.16488459      -1.24248843       2.26744933 
Hf      10.73414801       0.07621574       4.99275868       2.09377405       3.74686898      -0.34602828 
Hf       3.85452184       3.48182973       5.18274717      -5.63724699      -0.75800219      -1.86209528 
Hf      10.63365728       6.70109442      10.54011520       2.38443208       0.59314807      -2.48914276 
Hf       1.60885091       8.73039772       8.23212564       0.09585997       1.42697836       0.01667222 
Hf       7.25610391       3.59805174      10.45562549       1.36789310      -0.96588417      -0.82685729 
Hf       9.10320060       5.41803453       2.50297974      -0.75374966      -0.96769808       1.34411167 
Hf       3.36292536       7.06453967       5.26313004      -1.53996117       5.89970217       2.12271794 
Hf       3.45459465      10.75821834      10.17168898      -0.17850561      -0.16909625      -0.89193799 
Hf       6.81981879      10.90703840       5.64203519       0.07789666      -0.79182783      -4.55403077 
Hf       5.34775573       1.53522451       2.40803577       1.36685567       2.34126761       1.44721226 
Hf       5.44269243       1.60959866       8.01085367      -2.19557784       0.58720816       1.03435417 
Hf       1.98910157       9.41329692       2.54786760      -1.55287900      -1.50880153      -1.75718817 
Hf       3.26479816      10.86018069       5.13143493      -0.40511367       2.24920927       2.77852908 
Hf       3.61310583       3.67035422       0.04620416      -0.91563986      -0.17483147      -4.06451400 
Hf       7.09852278      10.94679477      10.60657451       2.30871339       0.54518174      -0.57682699 
Hf       9.23489687       1.81166849       2.60905482       0.10740165      -0.08405619      -1.26744052 
Hf       5.63517587       5.30433612       7.95949242      -1.85151460       1.57694113       2.41218619 
Hf       8.82972131       1.43235523       7.72506887       0.65674981       4.65092203       2.82218292 
O       0.02791611       9.52296046       1.60813432       0.52398170      -1.71527196       3.69948758 
O       5.39000721       7.33915631       3.34992599       1.05740386      -0.93381861       1.23737216 
O      10.87704964       5.60385464       3.84057742      -1.33970146      -2.60226647       1.98337908 
O      10.67204447       2.01847943       4.19497124      -0.15473880      -0.11138001      -0.39096634 
O       1.62275901       0.16451475       3.62892438       0.99441466      -0.64741855      -0.67555837 
O       2.08330323       0.07950627       0.99944997       0.25804186      -1.62522113       0.58542801 
O       1.79657682       3.06028163       0.74571842       0.22050146       2.08470648       0.42612192 
O       0.40228537       1.44360123       9.60305873      -0.40554018      -1.42073072      -3.16320782 
O       1.81164811      10.78179248       8.48238045       2.00302630       0.46019633       1.88379179 
O       1.43245570       0.40016133       6.13088490       0.49816058       0.04334473      -1.07999273 
O      10.66370740       2.30525207       6.79286571      -1.06274146       0.03676944       0.98751789 
O       1.89239241       3.64408688       3.59105867      -0.20021696       0.11502868       0.10511497 
O       1.52219344       7.33708507       0.89762862       0.11744920      -0.96582701       1.77802741 
O       1.23759885       6.86540123       9.12258404       1.13602056      -0.19635762      -1.78842483 
O       0.21857757       1.76144674       1.55102620      -2.03198674      -2.20981920       1.46043066 
O       3.64791140       5.92440890       6.95471711       1.82660569      -2.54423155       1.41752201 
O       3.71442747       1.76356661       6.61151882       0.02385451       1.89072439       1.10842362 
O       5.76520080       3.42542243       8.85985524      -1.10931882       0.50316538      -1.79761209 
O      10.81979567       5.37715166       1.38212363       1.57188437      -1.34097541       0.53392502 
O       1.54037646       6.70802891       6.31707352       0.79402701       0.19272821      -1.68560888 
O       0.29620390       8.65203559       6.80433239      -2.12526203       2.89115688      -0.03162857 
O       3.78142944       1.73510720       4.14307993      -0.56944991      -0.56789479      -2.21186260 
O       5.18525579      10.59374457       3.75688085       1.42740075       1.19684889       1.00902043 
O       5.07730610       0.01994967       1.25640275       0.60408882      -2.00887421      -2.10490715 
O       3.73702751       2.10862627       1.26346243      -0.02359717      -2.33086672       4.49127352 
O       3.88932544       1.54242950       9.37286000       0.02546989       0.71714396      -0.31650734 
O       5.49297291      10.32033518       9.36256007      -1.05496179       0.49264531      -1.14579927 
O       0.00571147       9.28110840       9.66545150      -1.16181394      -2.23784217      -2.36800722 
O       3.59418833       5.51667720       4.43674156       1.00185847      -6.33709965      -3.31411606 
O       5.48863159       3.77298411       3.42110128      -2.27238851      -3.35589815      -0.22584428 
O       5.40758173       3.56771129       0.70067856       2.06104753       1.39000621       0.87502025 
O       9.36627257       7.41713257       6.57624521      -2.49869435      -0.85193542      -3.62764782 
O       3.83106406       5.55194489       9.59424368      -0.78644052      -1.16820239      -1.18720441 
O       5.48739795       3.56402537       5.89373915       1.47490718       1.47785129       5.54217319 
O      10.58324467       5.04838237       9.28205677      -1.71395731       1.66755869       2.36913846 
O       9.47745351       0.13643003       6.39844627      -2.21126075      -2.39445382       0.87059391 
O       1.81182155       3.57828175       6.45675229       0.62539676       1.46601778      -1.75051412 
O       7.19202161       1.85333569       1.09236284      -1.51741592      -1.76406040       1.87647729 
O       9.05639591       0.07910725       0.99510122      -0.39879234       0.51789505       0.06059141 
O       7.53821708       9.17127636       4.35089559      -1.61442430       0.31988347      -0.08740580 
O       6.84161761       1.56581947       4.16539435      -0.94592185      -1.14957739      -0.68520844 
O       3.03960700       8.83755233       6.82438665       1.90197404       0.57689623       0.26201301 
O       9.13807629       7.27656019       8.75566075       0.17722163      -0.59411173       3.93714383 
O       7.35321757       1.60008425       9.14078779      -3.41757684      -0.72778395       1.61400349 
O       7.72231776       9.06716774       9.73982814      -0.06268036       1.47489837      -1.20332687 
O       5.59571094       7.20618388       8.81096503       0.38719811       3.07426071      -0.57544808 
O       8.87481708       7.14610534       3.86827500       0.74808233       0.80657548      -0.63958588 
O       5.09029093       7.68775914       6.06737088       3.47966736       0.77215250      -1.68656238 
O       7.21983747       9.33882330       1.49720296      -0.31428208      -1.55238152       0.70557272 
O       9.14425098       7.15328853       1.30203549      -2.15222718       1.12775258      -0.99928836 
O       7.16559355       5.46717219       9.44306592       0.94090900      -0.04958951       0.36257568 
O       2.93851500       8.69841486       9.68630474       3.44191083       1.54895260       1.44755786 
O       8.85017507      10.86446339       8.98103871       2.18695793      -0.17768292      -0.84533656 
O       6.85039315       5.91186954       6.64435828       2.27913142       0.43608950      -0.73130963 
O       4.88714434      10.74243557       6.60874135       3.55739401      -0.64011069      -0.85936330 
O      10.69485026       5.25588080       6.80189399       6.57671521      -0.25209043      -2.65347353 
O      10.64192785       9.25861278       4.24986025       0.71587671      -3.34370172      -0.66235664 
O       1.73650409       7.00172159       3.70372086       0.65825064       4.50960068       1.02911063 
O       3.35825941       9.18451647       4.13369431      -2.06424277      -1.62565991       0.01148407 
O       3.37635763       5.07855618       1.34578297      -0.62433689       3.07586032       3.53453921 
O       5.50821369       6.75414195       0.78934578      -0.49135897       2.21300621      -0.07615810 
O       8.78699970       0.08669647       3.70111187       2.28299962      -0.68474500      -0.59237706 
O       8.99485244       3.36636302       8.76010165      -0.57763035      -0.83204045      -0.23258671 
O       7.36588062       4.90396389       1.47964258       1.23940867       1.02384856      -0.67614016 
O       9.34514107       3.21119736       1.14718255      -0.46000012       1.52192623      -2.35756058 
O       8.55358410       3.45459169       3.54904616       2.42746542       0.59050678      -2.23462822 
O       7.00746505       5.42368705       3.90907197       1.05097894       2.42156260       1.13257737 
O       3.68635590       8.64907002       1.69490736      -0.14959054       0.44819099      -1.13210988 
O       8.86221790       4.10635197       5.91469805      -0.67063312      -0.25429329       0.04884903 
O       7.09101079       1.67597241       6.65756184       0.15621631      -1.01450501      -0.24258441 
O       1.55429288       3.79598514       8.97510475       1.19777118      -2.98042388       0.34608383 
O       7.42924289       9.33273943       6.89795124      -2.07983461       0.09492289       0.27264217 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01529368647119882 -0.005323369370938209 0.0047512532333663674 -0.005323369370938209 0.007341245120732698 0.005937076141611865 0.0047512532333663674 0.005937076141611865 0.001896260868220004" pbc="T T T" energy=-1060.74828594 free_energy=-1060.74830541 config_type=crystal 
Hf       1.90204256       1.86672086       2.81684210       1.63690691      -2.20016819      -0.68260063 
Hf       3.50209274       7.04495089      10.62618034       2.70147498       0.72710244      -1.93132141 
Hf       5.48315491       5.58193355       2.42900540      -1.65693746      -2.80725284       1.81292628 
Hf       8.60983100       5.51421856       7.91080480       0.42602935      -2.43693498      -1.26904957 
Hf      10.49411739       7.09412964       5.43898260      -0.03838002       1.08247869      -0.54261844 
Hf      10.87845913      10.78357633       0.00213026      -2.48152705       0.92565897       0.93326875 
Hf       7.11545429       3.68966702       5.00501243       0.06532819       0.04529804       1.49296748 
Hf       6.88749082       7.29579717       5.13801258       1.28467771      -0.26480224       0.33472429 
Hf       1.42138006       5.49108869       2.47035317       2.01081573      -2.92748911       0.94248825 
Hf      10.91897069       3.41955736       5.09476020      -3.10377563       2.50779539       2.59819445 
Hf      10.44855303       3.46786357      10.52291886       2.59381206      -1.30061734      -0.78553068 
Hf       1.50430514       5.23831756       7.87980649      -0.46953241      -0.12620329      -0.47468621 
Hf       9.30553459       8.89239708       7.98860366      -4.81146599       2.32866030       2.32408755 
Hf       2.19821874       1.93556409       7.93398463      -0.94250648      -1.08780712      -1.81287398 
Hf       7.41097015       7.31310546       0.18812342       1.99084900      -0.40833626      -1.46105409 
Hf       8.97783832       9.20714609       2.76496269       1.38001297      -2.86443219      -1.43580338 
Hf       5.30602279       8.93180023       2.17659089      -1.66288818       0.22105186       2.29578083 
Hf       5.54735959       9.08722686       7.65103353      -1.13462702      -0.59170365       1.16843012 
Hf      10.86666817       0.04594662       5.15032553       2.14649224      -0.80980907      -0.18386168 
Hf       3.49844856       3.71800932       5.28224428      -1.33526956      -2.15088307       0.66766577 
Hf       0.13090492       7.16895430      10.52875280      -2.84407581       0.58685419      -0.42344217 
Hf       1.92873029       8.99635813       8.14458285       0.68059602       0.57339689      -1.69405814 
Hf       7.19179109       3.21793201      10.20118530      -2.07825164       0.75984433       1.79871787 
Hf       8.86377760       5.42715956       2.67011694       1.32858463       1.06294898       0.85694815 
Hf       3.16411022       7.18474584       5.21367065       5.43701772       1.09181508       0.09221460 
Hf       3.65780697       0.02079317      10.34322243      -1.84305076      -0.49676593       2.05307909 
Hf       7.24571423       0.05905657       5.24931000       3.26287679      -2.74438556       0.07588644 
Hf       5.61302876       1.74830951       2.58121874      -3.87100336       0.33498398      -0.28405211 
Hf       5.68798467       1.70637892       7.70039237      -0.84514420      -0.74772083      -1.36221955 
Hf       1.83786692       8.82152820       2.61913983      -3.47063956       5.27908588       0.62919284 
Hf       3.77530580      10.85099879       5.12793310      -3.60569826      -0.42377574      -1.01860959 
Hf       3.52501028       3.49230005       0.11615563      -0.23619555       3.33580564       3.00393958 
Hf       7.20171110      10.86931295      10.50606158       1.64324339      -2.88097117      -0.19780801 
Hf       9.17221694       1.69776082       2.34042449      -1.11542221       0.32135879       1.60605014 
Hf       5.20468593       5.54573547       7.91071222       0.46567550       0.24856159       1.08381624 
Hf       9.08722763       1.57803848       7.75923399       2.58443625      -1.01110163       0.18819227 
O      10.82874409       8.87662899       1.71403732       1.19047325       0.37296883      -1.25545237 
O       5.41501615       7.22420836       3.63347975       0.48158536       2.61523743      -1.56808459 
O      10.65921040       5.47138915       4.35924637       2.41701178      -1.06593944      -1.73383504 
O       0.20620923       1.81630102       4.09299821      -1.98628086      -2.43972378      -2.70628881 
O       1.73220714      10.87595097       3.29092239       0.07571248       0.85399630      -0.71766648 
O       1.72098842      10.83498736       0.57447141       2.16063890      -0.30362815      -0.83974143 
O       1.94793867       3.72156213       1.37393281      -0.58041886      -0.82103807       1.46409149 
O      10.72479049       1.51802271       9.42310062       1.11024263       3.28656810      -0.64735745 
O       2.45374159      10.93396485       8.50193972      -1.89291016       2.79594521      -0.17823071 
O       1.72861259       0.62305063       5.73075747       1.96428744      -0.82787443       1.87500714 
O      10.64888776       1.88735276       6.50692925      -0.42413484       0.53229724       1.21878476 
O       1.77105646       3.47403903       4.14401645       0.41846491       2.37435106      -3.48033267 
O       1.81346922       6.80078493       0.99937429      -5.02171886       0.43274464       0.18093862 
O       1.73141711       7.22833100       9.19337169      -0.60203128      -2.93005358      -0.96704618 
O      10.85962160       1.64759900       1.35631567       0.11793804       1.31225289       0.40901758 
O       3.40024916       5.39013595       6.90347704       0.89036126      -1.07663770       0.49795611 
O       3.94966868       1.92275959       6.68375743      -3.85619901      -2.20606257       3.11364959 
O       5.80785930       3.34390640       8.67813825       0.14017702       2.64200422       0.24170754 
O      10.60665293       4.91162848       1.62978390       1.56904454       1.43730488      -0.23866045 
O       1.71527815       6.98075520       6.36557928      -3.52973513       0.35846795       1.73459111 
O      10.77585663       8.81517306       6.89626431       2.76719098      -0.55754864      -1.40313528 
O       3.78500000       1.94483736       3.90210307       0.03149761       0.71268038       1.41548842 
O       5.02426350      10.61936003       3.53367918       1.99444324      -0.27647716       0.21479643 
O       5.20632560      10.39314054       0.88109531       2.54652650       0.94614096      -2.38411292 
O       3.71249746       1.05647810       1.67796080      -0.36359919       2.83252925      -1.55704383 
O       4.07073061       2.00695295       9.78516837      -0.55140913      -3.76553400      -3.10085361 
O       5.11887755      10.81942119       8.80514130       2.08484889       0.44242348      -0.49192915 
O       0.07109918       9.03996936       9.50312700       0.42357837      -0.74134053      -0.01042553 
O       4.05662630       5.24168686       4.35798981      -0.23566686       2.27269682      -1.05460087 
O       6.07653702       3.62511262       3.13559815       0.10343991      -0.27399757       1.71304566 
O       5.42009655       3.89118610       0.98804070      -0.52516159      -1.80289672      -3.07589723 
O       8.50162340       6.99011338       6.56048102       2.53884196       1.57401232      -1.90980120 
O       3.66840296       5.07748600       9.61058810       0.91280543       2.31297856      -1.03002395 
O       5.29684462       3.31497281       5.88862809       4.29182376       1.13960099      -0.16236053 
O      10.84469460       5.14067736       9.57771452       0.59412705       2.21989488      -0.08170397 
O       9.15050949      10.90353796       6.48676263       0.04623660      -0.50457706      -0.70406607 
O       1.60323114       3.56592305       6.37132818       1.93912250       0.12909760       4.29159712 
O       7.19595459       1.61567891       1.25908190      -0.58253507      -0.00905513      -2.21673758 
O       8.94494655      10.81769847       1.04985482       0.43417592       0.04932167       1.37592324 
O       7.74409182       8.93470521       4.45383182      -1.00978049       2.34289355      -0.87372257 
O       7.17207709       1.37985156       3.74409214       0.59221098       0.27337955       1.28357719 
O       3.45385479       9.38002224       6.62323718      -0.16045754      -1.19997086       1.37708572 
O       9.17497467       7.12633064       8.98684427       1.87617226       1.08990440       1.72184722 
O       7.46030995       1.46415491       9.05142490      -2.87408714      -0.67675992       2.07782125 
O       7.28764843       8.95834826       9.63354005      -0.59896533       1.31037102      -0.55114216 
O       4.82410856       7.38486759       8.70211716       0.40832318      -0.90393656      -0.47339956 
O       9.27579836       7.23371817       3.62507944       0.10496802       0.62292641       1.86982673 
O       5.22801213       7.48167469       6.16105106      -0.20432648      -0.12970201       1.06934317 
O       7.21899660       9.08132815       1.57784805       0.97743494      -0.00144353       1.21273343 
O       9.09765336       7.25009882       1.36032344       0.26922478      -0.81542394      -3.04632734 
O       7.01735821       5.97258386       9.24896306      -0.21040418      -1.66740590       0.45726511 
O       3.24489933       8.98198933       9.56290769       0.75056616       0.26486492       1.46479030 
O       9.26200125      10.85777322       9.31026093      -2.57481122      -2.55904079      -3.36711296 
O       6.93779694       5.11601080       6.85604980      -2.63999501       0.74159528      -0.25628817 
O       5.60662859      10.68993409       6.24434044      -1.91048298       1.42751330      -0.69989712 
O      10.73526388       5.25855143       6.84466827       0.07658694       1.80746116       1.65378307 
O       0.41454272       9.05347877       4.32966214      -2.63836190      -0.92079713       1.58220008 
O       2.19571749       7.20073645       3.58559334      -3.47810402      -6.60708161      -2.13072682 
O       3.05505496       8.99750752       4.16804894       3.48166262       2.51070432       2.78902126 
O       3.61357388       5.68392624       1.72643435       0.35505363      -0.21980687      -0.53988704 
O       5.53404903       7.41669860       0.69666633      -2.45106931      -1.03787766       1.20662460 
O       9.27598812      10.94901270       3.73038211      -0.01758953       1.10552209      -0.50457666 
O       8.69745621       3.52354755       8.94175010       1.87283399       0.90572399      -0.54257941 
O       7.22407974       5.59757598       1.54727735       0.98150295       0.66766067      -1.10151383 
O       8.76284720       3.53888310       0.88343008      -0.53641465      -1.05075546       0.33035918 
O       9.25503575       3.51013433       3.53340208      -1.27236521      -1.21705777      -1.13875121 
O       7.23903567       5.58811503       4.19551491       0.61195414      -1.08708676      -0.68458676 
O       3.37413334       8.56938780       1.46761055       2.43013487       0.23173461      -0.70138712 
O       8.79296788       3.92363733       5.99469478       1.69483516      -0.76991387       0.64965607 
O       7.38761371       1.71984045       6.40202824      -0.90321124       0.48979372       1.22090452 
O       1.75331070       3.44015551       9.43029465       0.25373022      -1.07389753      -3.00093354 
O       7.40158852       9.28465201       6.92771392      -0.52537102      -0.98815971       1.14261641 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011951944505617892 -0.004055057754341687 0.0015108275633128002 -0.004055057754341687 0.011123450978270572 -0.001789834380786391 0.0015108275633128002 -0.001789834380786391 -0.008389045293451334" pbc="T T T" energy=-1062.46548353 free_energy=-1062.46548457 config_type=crystal 
Hf       1.89953408       1.81108114       2.79704643      -0.27039598       1.69353456      -1.12122076 
Hf       3.57856694       7.08539826      10.48212231       0.18018053      -0.46670897      -1.72256301 
Hf       5.39941404       5.61713605       2.42332771      -1.57305187      -1.07104968       0.69204231 
Hf       8.75772286       5.36350553       7.93232672      -2.06540764      -0.38855800       0.48884419 
Hf      10.40487321       7.06986626       5.47830076       4.92437645       0.05978158      -2.80595458 
Hf      10.86882146      10.84342885      10.59519808       1.39946801       1.09216202      -1.98700232 
Hf       7.06675520       3.69779703       5.10493109       3.47038395      -0.47338749      -0.57491592 
Hf       6.86331674       7.26438435       5.14707763       2.13896155       1.48308253       0.51803384 
Hf       1.48947959       5.52945540       2.51918184      -0.02164799      -5.29791329      -0.97014098 
Hf      10.90700893       3.58647662       5.18899032       0.05179404      -1.33436251       0.95584381 
Hf      10.46654881       3.55486440      10.56154975       0.03686256       0.34259903       0.30986043 
Hf       1.44752469       5.09623369       7.93001151       1.42136416       1.97225307       1.23783700 
Hf       9.20242876       8.87401883       8.00651586      -0.45574988       0.49516506      -1.29201781 
Hf       2.19183578       1.90313773       7.82769644      -4.94855002      -1.30674724       0.91645364 
Hf       7.46204253       7.37312188       0.16130464      -0.81594976      -2.25246829      -3.22798401 
Hf       9.16943280       9.12871581       2.79480988      -1.29101070       0.83827360      -1.11508785 
Hf       5.21182606       8.99885796       2.18897219       0.66350757       3.86696303       0.29984107 
Hf       5.49754857       9.01696625       7.63988987       0.94758410       0.89452581       3.03085158 
Hf       0.04130237      10.87102515       5.17097406      -0.38054312       1.49744227       0.75160140 
Hf       3.56648871       3.60441258       5.19859426      -1.35207407       2.98897596       1.93108135 
Hf       0.10067052       7.18848381      10.57497354      -5.56168731       0.01585282      -5.06327145 
Hf       1.96361737       9.02994309       8.15147364      -1.09712253      -0.32480723       1.42724253 
Hf       7.08556829       3.10023488      10.28384044      -0.37860284       5.09541343       0.23372651 
Hf       8.80238631       5.41641501       2.72685071       2.73298825      -0.47565990      -1.69495444 
Hf       3.20217958       7.25217739       5.27897884      -0.04802071      -1.65272235      -0.31750390 
Hf       3.62135976       0.04386487      10.36054611       1.69900859      -2.52603707      -0.40162893 
Hf       7.34521651       0.01798833       5.15960677       0.30956683       0.86344410       1.93677145 
Hf       5.43726461       1.82701533       2.53765270       2.74258739      -1.62721639       1.19305018 
Hf       5.70407531       1.78015531       7.66207557      -3.72096930       0.16929512       1.54472624 
Hf       1.73813533       8.87958612       2.60724162       0.68747810      -0.02736331       0.16373581 
Hf       3.84842439      10.80811920       5.12265367      -1.85149133       0.90118323      -1.17893712 
Hf       3.47526193       3.53463732       0.15476887      -0.68937937       0.79474739      -1.72221758 
Hf       7.33714851      10.73133999      10.46761543      -1.70736064      -1.49739661      -0.29012422 
Hf       9.21603108       1.71695289       2.31793140      -0.91880050       0.80019317       0.48810986 
Hf       5.06181278       5.52382522       7.82941472       1.85196078      -0.08668148       3.36020456 
Hf       9.06423844       1.69468339       7.78643966       3.24446126      -0.45196855      -0.60755113 
O      10.75858953       9.33199168       1.36675803       2.00928313      -1.76557676       3.33463287 
O       5.27755341       7.56114371       3.47548073       2.69334118      -2.71106066       1.31103047 
O      10.80521257       5.36105270       4.07393850      -1.19206307      -0.00577253       1.81640590 
O       0.14859612       1.70541217       3.97241550       0.65761740       0.89341165       0.74365302 
O       2.03342746      10.80868716       2.95639789      -0.81619716      -0.30414762       1.21133686 
O       1.83205235       0.17127011       0.43218758      -2.01806464       0.10880522       0.36609905 
O       2.09666999       3.54842588       1.68161505       0.13728321       0.13759598      -3.15024919 
O      10.77138998       1.92743342       9.42214412      -1.17358556      -2.43129170      -0.32680641 
O       2.38228513       0.04922903       8.34508002      -1.00368429      -2.90179078       1.46274212 
O       1.99503950       0.35628079       5.81119455      -1.39790384       0.02613624      -0.52491728 
O      10.65484695       1.91571960       6.62025554       1.99475558      -0.16704048      -0.25744267 
O       1.81764225       3.72487325       3.87818272      -0.07456790      -0.12603597       2.66757402 
O       1.30534670       7.24719504       1.25476769       4.69968448       0.35159650       4.08467707 
O       1.62001332       6.78126156       9.14414018       1.70628863       2.49614447      -0.72415901 
O      10.94915338       1.98226251       1.32526560      -0.46522863      -0.64478446       1.20882799 
O       3.48791009       5.44343623       6.79683511      -1.38020545       0.04275254      -1.62454435 
O       3.79733908       2.07151918       7.06591080       3.09095863       0.40230960      -3.27381123 
O       5.74210095       3.71775755       8.71757067       0.35584329      -2.36479381      -0.69136608 
O      10.67109097       5.30428144       1.68853761      -0.70384231      -1.16407420      -0.87130543 
O       1.30533816       6.47251458       6.00106708       3.75234402       0.79966442       0.09077077 
O      10.92982513       8.44946923       6.84912629      -0.45199355       2.00545517       2.13534903 
O       3.76072621       1.98873049       4.14405046       0.49796975      -2.35244144      -1.19808758 
O       5.55950442      10.68036271       3.47458832      -1.07771388       0.76192388       0.05003962 
O       5.46418087      10.58493047       0.64639573      -0.52469911      -0.09695383       1.25246981 
O       3.75390709       1.54585731       1.60079776      -0.55161192       0.56663184      -1.07177186 
O       3.87330963       1.74443547       9.53859481      -0.08902376       3.08229770       0.11604213 
O       5.29094164      10.48137381       8.88594189      -1.43161285       2.00540288      -1.07336056 
O       0.36177939       9.08925570       9.54861349      -0.94862878       0.82204123      -0.52903525 
O       4.03397017       5.45093419       4.26709623       1.04685840      -1.74439663       0.52768472 
O       6.06244672       3.63786464       3.26063643      -2.16154103       0.30227846      -0.82773955 
O       5.31828573       3.91402169       0.71864965       1.34758755      -1.22659069       1.16581407 
O       8.78293076       6.88307917       6.34359521      -4.37052642      -0.05230026       2.45981661 
O       3.66340976       5.24886183       9.44540058       0.02574768      -1.33438803       0.71066124 
O       5.54185957       3.13816093       6.02943354      -2.35103245       0.45112051      -0.58902145 
O      10.91163280       5.35800507       9.75778498      -0.47249931      -2.63365476      -0.42972475 
O       9.34209640      10.87885519       6.36868241       0.21673009      -0.42492490      -0.78490672 
O       1.83960794       3.59679169       6.59598368      -0.81008944      -0.73874247      -3.52604466 
O       7.20652549       1.57278376       0.96846803      -0.53207862      -0.12541365       2.85289168 
O       9.14649181      10.79265393       0.94554532      -1.60423243       2.78021424       0.21861785 
O       7.89650840       9.23305484       4.69390968      -0.64133943      -3.45376335      -2.44188722 
O       7.04083757       1.52564699       4.00765499       0.14894289       2.00733368      -0.61589208 
O       3.32963982       9.08623962       6.72139696       0.75636426      -0.96001838      -0.96829356 
O       9.31968875       7.29250873       9.22147179      -1.13281579       0.15361856      -1.29027897 
O       6.89997102       1.42493988       9.23831726       2.09240904      -0.22570347      -0.12339517 
O       6.97926168       8.80398370       9.30865903       2.05637883      -0.59399383       3.44999061 
O       4.79438132       7.31557899       8.70989015       0.48235937       0.29713353       0.22436378 
O       9.08416861       7.36686217       3.78120244      -0.23985959      -1.63679348      -1.02955573 
O       5.28762635       7.48861981       6.27315364      -0.54939116      -1.08185204      -1.96682410 
O       7.41924631       9.39255152       1.68967140      -0.08896543      -2.56259777       0.03531838 
O       9.11891151       7.06927694       1.10704139       1.24761595       1.52307877       1.32833445 
O       7.36861644       5.53241352       9.45721365       0.10801225       1.65947431       0.82047408 
O       3.13125307       8.87934312       9.76549706      -0.73558073       1.79443903      -1.75087349 
O       9.10444849      10.66075585       8.83837924       0.00927371       1.71178757       2.17336989 
O       6.74646169       5.26423737       6.74560100       2.17169943       0.56300168      -1.15048933 
O       5.45887586      10.91721083       6.20306963       0.93095982      -0.36994729       0.70478856 
O      10.61500272       5.17859377       7.16047563       0.15880999       0.25648126      -0.58514056 
O       0.43381158       8.71775099       4.43387545      -0.66826047       2.22528095      -2.06537741 
O       2.33895196       6.89362575       3.44119944       0.41087762       4.73893692       2.49942819 
O       3.61465260       9.18829103       4.15700870      -1.70686985      -2.64634774      -0.30484754 
O       3.42332491       5.58790325       1.29561643       0.69525460       0.16263771       1.56062345 
O       5.42368421       7.49125024       0.77931552       1.11447425      -1.63278575       0.12078844 
O       9.33003439       0.19721786       3.75253794      -0.19944345      -2.58827010      -1.08468303 
O       8.91708840       3.54414800       9.15735118      -1.20938366      -1.00061400      -1.50015586 
O       7.20366258       5.70069220       1.59039984      -1.08493420       0.60550130       0.21018831 
O       8.71371886       3.55519099       1.10079058       0.66835628      -0.24161453      -1.27077333 
O       8.82997494       3.31284975       3.51535128       0.86686981       2.00786092       1.48252772 
O       7.00751556       5.59063436       4.15802579       1.18728439      -0.27860056      -0.51166908 
O       3.44206975       8.78370896       1.42761596      -1.66803182       0.11121090       1.21405580 
O       9.06467690       3.65470741       6.32554876      -2.70386165       0.66362878      -0.90116781 
O       7.34287379       1.63810847       6.68704966       2.39967293      -0.24136033      -0.81864017 
O       1.81504601       3.36161743       9.03100011       0.09917670       2.30610948       2.71933293 
O       7.43292027       9.27158347       7.11966548      -0.89436634      -0.68060966      -1.91369698 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010497629038926993 -0.002888192755983074 0.003186887552666004 -0.002888192755983074 -0.006865675998010419 -0.00018704271183932634 0.003186887552666004 -0.00018704271183932634 -0.006949244356368529" pbc="T T T" energy=-1061.07977709 free_energy=-1061.07978135 config_type=crystal 
Hf       1.90123566       1.79088069       2.76310240      -1.60857991       2.73779986      -2.06265287 
Hf       3.64149009       7.10724189      10.35101487       0.48564112      -0.20387700       0.80582371 
Hf       5.29480166       5.61181626       2.44619749       2.16458043       1.08072714       1.74948046 
Hf       8.81359594       5.24127897       7.95422172      -4.89841055      -0.13306999       0.27246251 
Hf      10.41754755       7.05654804       5.46674895       1.56648495       0.45024519      -0.52106915 
Hf      10.87102954      10.90549996      10.54046224       0.67399044       1.43781660      -0.19130642 
Hf       7.10625267       3.69687629       5.16303834       0.99382254       1.75020647      -1.34184452 
Hf       6.89756311       7.26608209       5.15119381       0.80294361      -0.46878078      -0.88553944 
Hf       1.55139830       5.46594347       2.55639737       1.30042764       0.21860834       0.66617527 
Hf      10.89160753       3.68030468       5.28048114       0.65579358      -2.70708771      -0.03311595 
Hf      10.48148315       3.60841787      10.59531468       1.07758780      -3.44685936       0.65485747 
Hf       1.43877862       5.03027988       7.97893446       1.72065190       3.38629240      -1.30637217 
Hf       9.10708505       8.88177458       7.99999083       0.33776057       0.46031126      -3.15260970 
Hf       2.11537845       1.85684479       7.75099109      -1.80053018      -0.69017527       2.15255481 
Hf       7.48631335       7.36765089       0.08183745       2.51454049      -7.25123381       5.16345674 
Hf       9.28465519       9.07673595       2.79310446      -1.51252423      -3.54200816      -0.75232588 
Hf       5.15423453       9.11219844       2.21939610       2.80867520      -0.92827142       2.69063555 
Hf       5.47605717       8.98091576       7.68897268      -1.06133834       0.29847587       0.05718636 
Hf       0.13786417      10.80035852       5.20044615      -0.50365897       1.38041637      -1.99455775 
Hf       3.59331557       3.56245274       5.17699879      -0.00128195       2.56517424       0.02312822 
Hf      10.95463466       7.20418496      10.54625153       0.59590171      -0.82527277       0.48042811 
Hf       1.95623510       9.03943011       8.15394785      -1.83123787      -3.67348178      -0.20048224 
Hf       6.99756839       3.10459591      10.36019216       2.32493070       2.69180947       0.01322791 
Hf       8.79758660       5.40342711       2.74834468      -0.56680203       0.88723497      -0.65274399 
Hf       3.24490228       7.27201421       5.32146412       0.71310826      -3.90172043      -0.77598288 
Hf       3.61400291       0.02675630      10.37050729       0.28294719       1.67441049      -1.25383408 
Hf       7.43331294      10.94766369       5.11830141      -0.42419486      -0.35588441      -0.15264869 
Hf       5.34407977       1.86143996       2.51702543       2.82771439      -0.48371277      -0.10811148 
Hf       5.65560399       1.83400778       7.65821725      -0.90694036      -1.68148154       0.39862014 
Hf       1.67738212       8.94376790       2.62830224       2.79354325       0.36190388       4.26585220 
Hf       3.85566872      10.78785914       5.08799091       1.00159566      -1.59450773      -0.86861877 
Hf       3.43620358       3.59319572       0.15755165      -0.19391896       0.89887403      -2.99675919 
Hf       7.40855906      10.59054761      10.44285422      -1.09049921       3.02556720       1.26028405 
Hf       9.20878379       1.74779764       2.32737069      -0.07603179       1.79599688       1.44457258 
Hf       4.98211753       5.50321491       7.83311181       2.20245538      -1.36459768      -1.43317510 
Hf       9.12002255       1.76664810       7.80036428       4.70378622       0.41836240       0.73810406 
O       0.10516894       9.43911529       1.63472213      -3.97555146       2.96424135      -1.57240075 
O       5.72152372       7.49500552       3.47615355      -1.02172396       0.45559825      -1.98099827 
O      10.77888530       5.29072164       4.17168639      -1.71273329       1.92460925      -0.21361753 
O       0.16464019       1.79792036       3.93009146      -0.54438885      -0.59785338       1.85166622 
O       2.07044921      10.85782493       2.93287719       0.38065043       1.04624436       1.70413857 
O       1.69517510       0.39231223       0.35019196       2.05470267       0.18270958       0.74260220 
O       2.01781922       3.43809228       1.47836795      -1.17635154       3.41694719       0.17127185 
O      10.65037986       1.88834242       9.39006463       0.83124353      -2.40841106       0.79631480 
O       2.11787861      10.80785001       8.53423859       0.33543217       4.83773679      -0.80013963 
O       2.02369076       0.14514125       5.86967201      -0.47330111      -0.07767900       0.30266165 
O       0.09634871       1.98143774       6.70497696      -1.74996700      -1.07528814       0.52013613 
O       1.75176207       3.93588526       3.94381913       1.10456533      -1.92196891       0.18504277 
O       1.21372518       7.53235058       1.55387562      -0.01102963      -6.47202447      -5.28443708 
O       1.78623819       6.76871343       8.93521496       0.34810138       2.66703293       0.97924786 
O       0.12310589       2.14989347       1.43033156      -2.40949828      -1.07866378       1.02328191 
O       3.50799397       5.42504439       6.54991005       0.13455067      -1.49368201       1.96836474 
O       3.78654918       2.11030681       6.93315565      -1.66549226      -1.39992089      -1.55032588 
O       5.78143453       3.59410221       8.59466807       0.28196104       1.66004342      -0.42229491 
O      10.89189009       5.37783477       1.47361328      -0.50275964      -1.76377626       0.91897650 
O       1.43993996       6.37519155       5.77992276      -1.53282115       1.22153078       1.67123840 
O       0.04456967       8.49098305       7.11263748      -0.82138958       0.31002244      -1.27704272 
O       3.86241586       1.60416218       4.11833190      -1.52493450       1.85168543      -0.65534674 
O       5.79309215      10.86922990       3.48615140      -1.74760576      -1.03544993      -0.49690398 
O       5.62208137      10.64823763       0.65776939      -3.12069524      -1.22340740       0.68252080 
O       3.67201866       2.02744888       1.32148624       2.06689181      -5.00341051       2.38942349 
O       3.68625335       1.86645792       9.28964651      -0.19495513      -0.59246548       1.58733378 
O       5.21520949      10.64157595       8.68441010      -1.00811119       0.09720255       0.65209044 
O       0.33984712       9.24507149       9.51594972      -1.32667885      -1.37997100       0.86944377 
O       4.19821945       5.42228217       4.21773547      -1.01611703      -0.52539241      -0.06631068 
O       5.59720216       3.67410808       3.23148087      -0.21690651      -0.99854295      -0.00462900 
O       5.41780281       3.61829153       0.61775652      -1.17373706       1.02529685       1.39306218 
O       8.53822685       6.92952659       6.47329505       4.84119955       1.88698912       1.15815507 
O       3.71461898       5.26542939       9.39486373       0.74599103      -0.29930229       0.06057445 
O       5.35981368       3.16328896       6.00761294       2.43306367       1.34542088      -0.89609055 
O      10.92728827       5.23791186       9.77293503      -0.08009932       2.82168864      -2.91428264 
O       9.44240176      10.70596644       6.14673072      -0.66701580       0.06417787       0.65139006 
O       1.87572680       3.47076231       6.36924532      -1.11991697       1.16233000       0.44378598 
O       7.04494575       1.58527020       1.22943475       0.34082279       0.64623220       1.32432250 
O       9.14771702       0.33899332       0.96596607      -0.75607753      -2.00039357      -2.35814565 
O       7.78528222       8.96738871       4.41389952      -0.56974768       2.98860829       1.10981929 
O       7.14195477       1.83225778       4.32091862      -0.03864581      -1.99490754      -0.80081760 
O       3.36693383       8.67362362       6.72914018      -0.72923903       2.96034564       2.05246128 
O       9.33882319       7.42376095       9.23752562      -0.80814950      -0.89444101      -0.26384989 
O       6.82831637       1.49084526       9.29467010       1.90484755      -2.22268599       0.75568077 
O       7.07702371       8.74846548       9.60402321      -0.98643907       4.79478880      -3.69418127 
O       4.91400550       7.27727222       8.73267033       0.47411721       1.15047164       0.76144729 
O       8.94857003       7.18761730       3.76815450       2.62476801      -1.20841095       0.18346877 
O       5.15713853       7.32553844       6.15440517       2.07923152       0.26717022       0.93348168 
O       7.48551236       9.04436732       1.82456829      -0.25470052       0.32079129      -3.02345949 
O       9.45097209       7.22135849       1.14895961      -2.20296285       1.44385987       0.06541115 
O       7.58292555       5.50664665       9.80388540       0.12371435       0.33454383      -2.42263976 
O       3.15411145       9.12238324       9.86686488       0.25997074      -2.94174539      -1.90970408 
O       8.91642710      10.71409897       8.76524832      -0.00382054       0.27565731       1.75345084 
O       7.01062827       5.44132337       6.42687481      -2.27102022      -1.93914567       3.26409123 
O       5.51514489       0.05426540       6.27804213      -0.78176918      -1.16026854      -1.91030929 
O      10.56786157       5.24195046       7.20744826       1.63913936      -0.22556013      -2.26869484 
O       0.16569832       8.83400281       4.21791606      -0.91886519       0.93005440       1.55312670 
O       2.30932814       7.20955789       3.62518584      -1.88723510      -1.81672101      -2.49168688 
O       3.76842401       8.90700296       4.15950312       0.60032958       4.23366525       0.19971758 
O       3.61219802       5.54648355       1.27006165      -2.40087447       0.09949261       0.43176333 
O       5.40655549       7.19861964       0.85246674      -0.85041992       2.28567755      -1.15166997 
O       9.24181460      10.86237857       3.46650401       0.07202708       3.13989123       1.66390492 
O       8.93910437       3.39447623       9.00673474      -1.23928667       1.34936126      -0.35761902 
O       7.21565852       5.92497829       1.55247015       0.77461686      -1.77928489       2.21428514 
O       8.79332712       3.46635865       0.94231899      -0.72132583       0.00124314       1.36739349 
O       8.71757504       3.52185254       3.75861252       2.12743451       0.73581972      -1.63911463 
O       7.10296894       5.57617551       4.05661046       0.73905793      -2.39332443      -0.53729137 
O       3.34359174       8.95942622       1.52195237       1.76814339       0.38865007      -0.63264783 
O       8.78245559       3.58315859       6.41963571       1.78914481       0.64528778       0.18000232 
O       7.58733414       1.52660575       6.78163777      -3.75704626      -1.35266522      -1.26359424 
O       1.85671825       3.65717404       9.20394531      -0.17275097      -2.94559288       0.17494546 
O       7.24623562       9.11102395       6.95360893       1.19095799      -0.04064259       0.08479344 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.023793826950842 -0.008191327566274772 0.001274296306346402 -0.008191327566274772 -0.01416223564582425 -0.011626684966042416 0.001274296306346402 -0.011626684966042416 0.0027831407112740712" pbc="T T T" energy=-1055.87955452 free_energy=-1055.87958076 config_type=crystal 
Hf       1.68513765       1.77241994       2.85038669       0.21550975       3.04313940      -2.75305233 
Hf       3.51241044       7.19145310       0.04854477       0.32634195      -0.61123543       0.19141034 
Hf       5.62336837       5.33199235       2.51382387      -2.87546567       2.37021239       1.14527428 
Hf       8.73555526       5.44325107       7.82889805       2.22862230      -5.15200526       0.04444571 
Hf      10.77587405       7.22996125       5.17731947       0.25208960      -0.44838348      -0.00653455 
Hf       0.16748864      10.77991407       9.96202164      -6.02141317       1.16308789       0.40027010 
Hf       7.39178290       3.35513564       5.05738226       1.39627420      -1.19577891       1.73514939 
Hf       7.19170137       6.97698053       4.97499518       0.17332273       0.20006798       0.20677440 
Hf       1.65673181       5.47063088       2.67350068       1.80749784      -0.70425328       1.81674275 
Hf      10.89136179       3.73106306       5.45887615       0.48267561       0.00961386       2.15732822 
Hf      10.79819920       3.80784928      10.26639836       0.41301769      -0.53736250       1.50874431 
Hf       1.43575236       5.48923132       8.06051979       0.24662017       1.09923930      -1.15926743 
Hf       9.07507841       8.92127359       7.52299458      -6.72647760       2.57143078       4.32382548 
Hf       1.85379683       1.92477013       7.85643237      -4.86938561       3.00781829       1.41787187 
Hf       7.27060363       7.34443863      10.47541159       1.98476112       0.91326958       0.99108964 
Hf       8.97049276       9.14760483       2.87168997      -0.70312937      -0.25223851      -0.30087980 
Hf       5.16741811       9.07125006       2.36758743       2.33378313      -1.31917092       2.54473810 
Hf       5.35996915       9.07223905       7.95082267       1.70724177      -0.94568137       1.80093733 
Hf      10.88828644      10.66010868       5.29024398      -2.10579284       2.27053439       1.42136908 
Hf       4.06276889       3.59781016       5.18128079      -1.81608264       3.36912595       1.89870841 
Hf       0.03112359       7.26446367       0.10351073      -1.66378771      -3.05760726       2.52051321 
Hf       1.96069704       8.92733927       7.82985785      -1.03497929      -1.43429176       0.06206437 
Hf       6.60980991       3.57479840       0.05789329       4.66844809      -1.22456291       0.04134025 
Hf       9.19849151       4.87257352       2.62293151      -1.19157083       2.66597114      -3.17792751 
Hf       3.52755054       7.15805187       5.39826205      -1.34411122      -1.82882433      -1.07530314 
Hf       3.56271908       0.12456917      10.34350517       1.31802355       0.47789637       1.66568757 
Hf       6.86563262      10.61848158       5.63593924       1.52901723       2.48038969      -1.78679451 
Hf       5.45722337       1.69177326       2.81389595       0.80769689       0.24238878      -0.56724670 
Hf       5.82028100       1.78391979       8.03125157      -1.14103725      -0.24178516      -3.49968481 
Hf       1.56484921       9.20410284       2.03850742      -1.29361777      -1.52434791       2.83654656 
Hf       3.40910709      10.71720960       4.77423665       0.09490288      -1.34257494       2.67148578 
Hf       3.41956185       3.66707356       0.33649267      -1.49302996      -0.97578260      -1.17610902 
Hf       7.24933376      10.84854585      10.37886955       2.38195884      -0.77975526       1.57188306 
Hf       9.23993203       1.68275899       1.98427146      -4.16732041      -1.30486634      -0.75538894 
Hf       5.29785838       5.57147615       7.94945068      -0.83204200      -1.23925632      -0.57021132 
Hf       9.19265141       1.90015046       8.07194799       1.06940447      -0.13824152      -1.07050736 
O      10.57830866       8.62137730       1.75583831       1.32701664       0.09789417      -1.63762733 
O       5.69058069       7.14245404       3.65982819       1.83269011       1.15580736      -1.30857033 
O      10.40934151       5.23803007       4.09501634       2.22213328      -0.88360530       1.72513240 
O       0.80386265       2.18819269       4.46418372      -2.12306052      -4.28483378       0.24734542 
O       1.99433405      10.72811082       3.23791121       0.53241102       1.94918758       2.23720075 
O       1.41713143      10.76897604       0.82529944       1.82281104       0.08271261      -0.35843181 
O       1.82608330       3.48626494       1.49765629       2.71785322       0.27595271       1.65749413 
O       0.07119713       1.86734469       9.51891532      -0.84498669       1.11007955       0.67211826 
O       1.40319551       0.14949374       8.52980120       3.25035429      -5.78257625      -1.12545159 
O       1.84909046      10.15607253       5.89946117      -1.47514723       0.43517154       0.90252137 
O      10.95364764       1.35286660       6.99399042       0.26868991      -0.97721443      -2.54511828 
O       1.83858563       4.06242871       4.46280280       0.88367749       2.54261550      -0.47132889 
O       1.91152498       7.20716795       1.32679118      -2.91420448       1.55583352      -1.29875492 
O       1.75496243       7.20920215       9.15668941       2.98168570      -0.14109668       0.51274949 
O      10.88230195       2.39532310       1.60760968       3.07897289       0.06699894       0.37495102 
O       3.10526456       5.19019070       6.93410450       2.91204741       0.00952447      -0.76459377 
O       3.24435098       2.29850186       6.67994726       2.27896247       0.30164526      -1.74603369 
O       5.24534693       2.41876817       9.85090363      -3.25217922       2.27840767       0.04002761 
O       0.01741730       5.40376324       1.45730531       0.17995169      -1.09938955       0.81722089 
O       1.56151299       7.29901363       6.59989367       2.28489798       0.48755575      -0.18893396 
O      10.63695701       8.64164634       6.75591304       8.14811209       1.85496246      -0.95123679 
O       3.66170862       2.17073518       3.99347686      -2.01626357      -4.16656485      -2.03727520 
O       4.88988521      10.77136927       3.61520042       1.23527486       1.25456650      -2.30484732 
O       5.43715691      10.23258726       0.62169999       0.63743848       1.98966103      -0.01563383 
O       3.93304667       1.50772309       1.34201244      -1.66547986      -1.40824863      -0.23501782 
O       2.65855130       1.88779363       9.69705566       2.35914455      -0.81375801       0.93678651 
O       4.98227880      10.87187709       8.76144505       0.25777893       1.45071984       2.80234778 
O       0.09107756       8.66668529       9.48929240      -0.99504954       5.56487324      -1.85558694 
O       4.08158856       5.48758979       3.93849676      -0.68308420      -1.79682854       2.87600270 
O       5.71329971       3.34339004       3.99237559      -1.54266679       2.02474435      -1.20076524 
O       5.23205160       3.49523593       1.66738664       0.28712893       1.23122517      -1.66765875 
O       8.86205378       7.92630106       5.84524434      -1.54716741      -3.02567918      -2.36339489 
O       3.96254888       5.48289426       9.61483630       1.61934707      -0.53641612       0.26632455 
O       5.91725628       3.44157596       6.49075478      -3.56218291      -0.18672042       1.55733916 
O      10.86756437       5.81205206       9.43277450      -2.12402160      -2.66394802      -0.32427518 
O       8.93222587      10.49438647       6.03265572       0.64267065      -0.07391832      -0.72269981 
O       0.56218019       3.73894338       7.57530669       2.10891854      -1.57961509      -1.88273322 
O       7.19566568       1.72164896       1.22174435      -1.88890596      -1.20604347       1.80437504 
O       9.50632728       0.26552589       0.60585768      -0.82489696      -0.60974217      -1.38197645 
O       6.89847706       9.47366909       3.93009050       1.77972747      -0.99431109      -0.28357549 
O       6.78195244       1.44863804       4.46548056       0.90386828      -1.47197833      -0.69034799 
O       3.87395505       8.96812616       6.74017106      -2.63760410      -1.42465579      -0.39697906 
O       8.67362997       7.09353451       8.61708474      -0.80165720       3.23251054       1.14234112 
O       7.33220527       1.81938458       9.38383125       1.81480724      -0.75308882      -0.21944357 
O       7.32626690       9.10306234       9.22705308      -0.97791151       2.04765943       0.58410156 
O       5.78364260       7.19700714       8.91199995      -1.04517443       1.37657180      -0.17591514 
O       8.98810892       6.99866223       3.58627636      -1.03366494       1.65257466      -0.08772947 
O       5.35751018       6.77806931       6.28560296      -0.10324718      -0.62231790       0.21411619 
O       7.88571795       9.24596572       1.17335455      -1.27973203      -0.44912329      -0.04214789 
O       9.03534878       6.70644709       0.71540940      -1.19391349       0.78416147      -1.03773763 
O       6.89588739       4.84750663       8.95428360      -0.25791868      -1.02429163      -0.53832951 
O       3.39260012       8.92239790       9.50756567       0.39430944       2.04883381      -1.08540442 
O       9.19029149       0.03685237       8.64107524       0.44680251      -3.69216643       0.96082519 
O       7.47773481       5.19705803       6.36652738      -0.13911462       2.56557291      -2.49448141 
O       5.09772568       0.26170258       6.57513586       0.84531000      -0.77198491      -2.76436036 
O      10.51093759       5.71935893       6.69422753      -0.02813576       0.43284438      -1.04411078 
O      10.84038856       9.13386798       4.09845673       0.18722739      -1.39253515       0.48654342 
O       1.79753942       7.04401733       4.10519796      -2.50996564      -1.40656522      -0.98311849 
O       3.68099841       8.54274598       4.05300404       0.46176660       3.75909768      -0.09372935 
O       3.43885471       5.62219696       1.65962035       1.66005786      -1.75250100      -2.16405260 
O       5.38937867       7.64760649       1.01280510       0.51895421      -1.67954085      -1.55403898 
O       9.42168352       0.16262440       3.25302905       0.81285499      -1.07170441       1.71801068 
O       9.36007147       3.70503654       8.91344464      -1.08108904       1.73896367       0.75146928 
O       6.70585985       5.54791199       0.66977198      -1.25049728      -1.11502691       2.01022139 
O       8.74693033       3.62050026       0.84526857       0.50919168       0.90413429       0.59250815 
O       8.95078325       3.05338308       3.49219218      -0.29771155       1.25630663       2.28067487 
O       7.23982373       5.09444030       3.61301138       2.55145947       0.04554362       1.03142304 
O       3.43885471       9.06039507       1.50473754      -1.11636867       0.89428440      -1.36255266 
O       9.12891587       3.21070214       6.51564407      -0.01914764       1.45372868      -3.54027333 
O       7.44935438       1.49116627       6.93392753      -0.25049891      -1.43999058       0.09379330 
O       1.89019902       4.27486555       9.68077915      -0.74215177      -0.41612627       0.43992742 
O       6.86662731       8.80084382       6.64659090      -0.72464362       1.14581728       0.28627568 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.008500690206800951 -1.0506507073854813e-05 -0.0058799727868304695 -1.0506507073854813e-05 -0.005385605511888893 -0.007541488075120464 -0.0058799727868304695 -0.007541488075120464 -0.008696237761254444" pbc="T T T" energy=-1066.52504597 free_energy=-1066.52504748 config_type=crystal 
Hf       1.71921914       1.72492425       2.63368381      -1.59208466       1.05003324      -0.60985063 
Hf       3.79979542       7.24338454       0.14473807      -1.12384801      -0.39459290      -2.17739089 
Hf       5.21884283       5.45492469       2.65340623       1.21872940      -2.60096995      -0.30426828 
Hf       8.74613700       5.16766867       7.96639681       2.59314202       2.58719694      -2.17195846 
Hf       0.02034814       7.30799076       5.40668160       0.18018745      -2.96491666      -1.54019339 
Hf      10.92432730       0.05222155      10.53501094      -1.22298794      -0.42507652      -1.90152127 
Hf       7.24473498       3.74308552       5.35131790      -1.60894778      -1.72274481       0.62212034 
Hf       7.27446277       7.40689079       5.30000566       0.10357478      -0.83206564      -0.13767836 
Hf       1.65382168       5.22748284       2.65217401       0.44855668       2.54829825       1.91875996 
Hf      10.86094881       3.50944958       5.08191516       2.37955426       1.99962343       1.47173913 
Hf      10.86191601       3.55157234      10.21642771       0.57910348      -1.25535427       0.33320778 
Hf       1.70024170       5.51303104       7.77747920       0.99342414      -2.25036685       0.79475731 
Hf       9.06848882       8.87226554       7.74492661      -0.89409674       1.72469463      -0.18322689 
Hf       1.85007935       1.77847455       7.67086661      -1.71074619       0.56123860      -0.27703527 
Hf       7.24332089       7.16827295      10.53733412      -0.52235665      -1.17261613      -0.61694840 
Hf       9.12544051       9.12398665       2.56246249      -1.06178742      -1.92031674       1.28909710 
Hf       5.36815273       9.21676184       2.83350401      -0.03929929      -1.32354315      -2.57567758 
Hf       5.09423597       9.10697724       7.43432034      -0.53482774      -0.80999658       1.64458223 
Hf      10.87606426      10.69485870       5.28407406      -0.78396357       0.84128005      -1.31701727 
Hf       3.66877897       3.38888374       5.26971248       0.95273252       0.60144540       1.94148779 
Hf      10.84703918       7.26356473      10.53782125       1.93265673      -0.38759340      -1.14054848 
Hf       1.66131722       9.00681968       7.97461452       2.02419613      -2.94073440      -0.42328454 
Hf       7.22430226       3.49092836       0.10338222      -0.16133109      -1.75588222       1.62765194 
Hf       9.11939083       5.56843773       2.65831673       3.09349322       0.24216591       3.00470238 
Hf       3.56510639       7.00796322       5.18864020      -2.79465722       1.78736582       0.39480547 
Hf       3.56002237      10.61645603      10.16136365       1.04000218      -1.14851776       1.03612532 
Hf       7.34787126       0.11194490       5.22070471      -1.03282025       0.17950245       1.34585155 
Hf       5.14404721       1.62766335       2.49730013       0.22194585       2.54013157      -1.80525413 
Hf       5.20849861       1.84524195       7.93961428       4.74382563      -3.99111226      -1.25514808 
Hf       1.67029545       9.17366751       2.25575185       2.05021576      -1.81101450       1.60796726 
Hf       3.39339092      10.71002279       5.06004408       4.25372406      -0.13348409       3.33298868 
Hf       3.43833046       3.33442365      10.41909043      -0.03131913       1.03076772       0.80552776 
Hf       7.36319761      10.64967944       0.02570475      -3.74832058      -0.03739038      -2.00596688 
Hf       9.09206153       1.96270550       2.55316244       0.72493614       0.29838119       0.45468044 
Hf       5.19420542       5.39295317       8.09992724      -1.58249791       0.43445635      -1.27798993 
Hf       9.16524059       1.56568361       7.73514697       0.35743007      -1.90394576       1.41655613 
O      10.85361355       9.50698804       1.52885602      -1.21798220      -1.14497220      -0.41804057 
O       5.39433823       7.18661011       3.53583028       0.30845333       1.79297843       2.07851488 
O       0.14238889       5.61313470       4.37142709       0.63947763      -2.69551509      -0.54333896 
O      10.93392563       1.79904565       4.12690440       0.49492369      -3.30453052      -0.18894493 
O       2.44334522       0.08067637       3.46433601      -4.27151000      -2.32581466      -4.90662902 
O       1.76607357      10.88677671       0.62614238       1.59493329      -1.30955250       1.28225146 
O       1.67289673       3.64441381       0.77185353      -1.10089416       0.93310045       1.57101502 
O      10.87170848       1.64390836       9.30138582       0.32269727       0.33279150       0.43103721 
O       2.04682841      10.87028091       8.56422130      -0.72982457       1.28881499       0.31764955 
O       1.75390956       0.04601531       5.93391539      -3.05929499       0.99524392       1.71238219 
O      10.90813400       1.92274634       6.75416680      -0.17438515      -0.89185430      -0.28942524 
O       1.83614628       3.50697101       3.66446244      -0.52011448      -0.77457510      -1.21209285 
O       1.76494345       7.73705796       0.86447443      -0.49263403       0.14316879      -0.39043530 
O       1.82670199       7.07509655       8.91069960      -1.14944607       1.06292068       1.37549560 
O      10.82540558       1.44860615       1.56817619       2.60678497       0.70480950      -0.25857681 
O       3.47027838       5.05601651       6.76834652       3.26926647       1.94322818       3.33106599 
O       3.71573770       1.58752199       6.74297159      -2.59525158       0.37368413      -0.34268709 
O       5.35448633       3.46101125       8.74736992      -0.83504774       5.09213054       4.55164173 
O       0.08981882       6.06631255       1.87480414      -1.74262972      -0.33064837      -2.15682150 
O       1.82290694       6.95861093       6.43557592       1.01252749       1.49502645      -2.49508366 
O      10.94801954       8.99867390       6.59610634      -0.11377991       1.04716872       1.61394225 
O       3.65894212       1.71800291       4.21443241       1.74558139       0.03609860      -1.44889395 
O       5.79063209       0.06286980       3.58096154      -0.19393932       0.42386136       0.69080762 
O       5.39118082       0.17991034       0.99255536       0.58124619       0.52647977       0.67183984 
O       3.26312244       1.76308422       1.38373594       2.36332519       1.02704613       0.64064517 
O       3.78285766       1.51334866       9.43222317      -0.51943839       2.85774675      -0.32930457 
O       5.21556337      10.32727296       8.97709683       2.14257629       3.04519949      -0.03346013 
O       0.09699621       8.97021525       9.17741214      -1.69489900      -0.25763802       3.05255301 
O       3.51889913       5.15205254       4.50152127       0.50132065       3.01996837      -4.05975473 
O       5.47276763       3.69155507       3.93546006      -0.33420105      -0.98846118      -1.43107436 
O       5.16829185       3.71773892       1.22665558       0.31364919      -0.22786663      -1.86971273 
O       8.99481256       7.21814236       6.16435796       0.32718664       0.67028336       0.85679073 
O       3.51083650       5.32836427       9.63473262       1.26073249      -1.34778775       0.05678787 
O       5.50487090       3.41048601       6.47862603      -0.95702643      -0.04416197      -1.61996055 
O      10.59210665       5.42922641       9.67837476       0.25818327       0.10447886       0.07480279 
O       9.16848215      10.75907543       6.41644786      -0.91433798       0.76462525      -2.90807484 
O       1.76261848       3.64595006       6.21522771      -0.57392663      -2.23880478       0.07050770 
O       7.22657409       2.26308045       1.80309867      -0.53489633      -0.68831974       0.62614157 
O       9.07760092       0.25561005       0.54886774      -1.74560669      -0.18718120       1.90638062 
O       7.49956058       9.27722614       4.36098655      -0.24794413      -1.40912765      -1.74021111 
O       7.92882970       1.94264857       4.48096000      -0.53052997      -0.74925310      -0.50664480 
O       3.16674492       8.95245371       6.54206989       1.52368451       1.42891394      -0.41108689 
O       8.98501823       7.21625124       8.62812104      -0.18953352      -3.01440433       2.05916499 
O       6.95255161       1.79546895       9.75122997       0.58811394      -1.30595102       0.29915198 
O       7.37811694       8.86957234       9.60465138       0.54642732       2.37676869       0.21476449 
O       5.30252487       7.20758439       9.35069577       1.09094076      -1.70876156      -2.86292961 
O       9.19781936       7.33643396       3.82064518      -1.45380710       0.31040268      -2.70843205 
O       5.17153406       7.37958778       6.40175784       0.58742511      -2.30651564      -1.14407701 
O       7.15883216       9.13479573       1.71306891       1.05300801       0.92307076      -0.50796364 
O       9.04784990       7.45042380       0.73049004       1.48598642       1.07878230       1.46118084 
O       7.44855854       5.11938711       9.58806972      -0.93935511       1.96411463      -0.43910471 
O       3.43405894       8.88948399       9.13299727      -1.10744611      -0.88320730       0.78374648 
O       9.32110777      10.63854891       8.78453411      -1.25850130       1.47340000       0.13856797 
O       6.92660791       5.53572870       6.85049116       1.27051114      -0.61465165       1.40071328 
O       5.35188001      10.48730889       6.07109263      -0.00860683       2.38666837      -1.27505173 
O      10.91360806       5.72693621       7.05089255      -3.21397077      -0.66961721       0.23057217 
O       0.05197515       8.99734559       4.16983642      -0.00918614       2.77367414      -1.51393359 
O       1.88114509       7.38540761       3.72685042       0.49076049      -1.02709131      -0.98495608 
O       3.58139369       8.98602706       4.08368412       2.69029559      -0.04471406      -1.65801642 
O       3.40166490       5.71551852       1.73160759       0.74957010       0.48549722       0.18117438 
O       5.63641762       7.09548939       1.04403554      -1.48225084      -1.08782086       1.78620587 
O       9.23101231      10.94807947       3.17174409      -0.55499347       0.20441745       1.95743900 
O       9.10726309       3.32294527       8.66885275       0.15412705       1.22592107       1.05082733 
O       7.60807976       5.56498023       1.62318520      -3.95739933      -0.83680898      -2.03463327 
O       9.38063939       3.59707173       0.90473772      -1.83594094      -0.45832766      -0.17668702 
O       9.59829961       3.73910520       3.47882483      -0.93114729       0.42247304      -1.50913606 
O       7.32884792       5.29382986       4.27068809       0.90027228       3.12554666      -1.33273440 
O       3.91819527       9.11159783       1.03137385      -0.01023130       0.16161051       2.93136140 
O       9.22394416       3.98918664       6.03153117      -2.68282295       0.09016777       2.09901282 
O       7.26402302       1.76823157       6.95715264       0.22651094      -1.66028730       0.06268591 
O       1.69770758       3.37473801       8.97439696       1.34016089       0.15482825      -1.23980289 
O       7.07493790       8.96541554       6.68103354       1.94992432      -0.36324351       2.18882593 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0008522214793761146 -0.002667750736411195 -0.0031051355358786173 -0.002667750736411195 -0.003343780330114277 -0.01189845722532216 -0.0031051355358786173 -0.01189845722532216 -0.0033701065787016134" pbc="T T T" energy=-1064.42379043 free_energy=-1064.42379085 config_type=crystal 
Hf       1.65608650       1.72050636       2.60073954       2.68301669       1.69804129      -0.83618759 
Hf       3.78305410       7.20321294       0.19226086       0.53961744       0.43184157      -0.54662294 
Hf       5.25887156       5.43120791       2.76149987       2.47457316      -1.72412778      -0.19139162 
Hf       8.75507951       5.21373591       7.91032193       0.95144164      -0.52400174      -0.29328349 
Hf       0.06258177       7.34720042       5.41193445       0.39084430      -2.68892069      -3.34096625 
Hf      10.83462571       0.06853427      10.54898776       0.26386121      -1.39245090      -0.58421829 
Hf       7.32289278       3.75565293       5.37884850      -2.28576439      -1.70851538      -1.03285030 
Hf       7.25376557       7.43397545       5.30432571      -0.75297050      -2.46136318      -0.38404602 
Hf       1.61818181       5.26726956       2.64076517       0.82887825       1.01873658       2.35933526 
Hf      10.83595620       3.46360486       5.06444448       1.96874689       2.31178184       0.55490104 
Hf      10.87400354       3.54093286      10.26946302      -0.65622202       0.69550127      -0.31606947 
Hf       1.68420606       5.53513039       7.79392757       3.87684727      -3.30803567      -0.72935850 
Hf       9.07347248       8.87400842       7.72558162      -1.39191837      -0.18472247       1.45176274 
Hf       1.81912405       1.75726921       7.73140918      -2.17277414       1.42747965      -0.33321833 
Hf       7.30174792       7.19836579      10.57647913      -0.33413839      -0.09406049      -0.54890955 
Hf       9.06992011       9.08042023       2.56332185      -1.43468824      -3.86430497       0.21675162 
Hf       5.35514478       9.22352268       2.83164000       0.73267171      -0.16555935      -3.02731257 
Hf       5.04014883       9.02318017       7.48103724       1.84977940      -1.44780379       1.42223702 
Hf      10.86505896      10.76469433       5.22017485      -1.78515604       1.04001934      -1.90177903 
Hf       3.73502300       3.32943440       5.27874904       0.40304893       4.08579053       1.39626533 
Hf      10.88311740       7.25794529      10.44661529      -0.02593290      -0.87791081       1.52104471 
Hf       1.67934182       8.90283136       8.00375349       0.50524273       0.29822482       0.57304614 
Hf       7.15421103       3.48681164       0.05198952      -0.22024050      -1.67642346       1.80137819 
Hf       9.13366135       5.56663777       2.69200045      -0.14657799       4.04364367      -0.31283432 
Hf       3.46504338       7.03547549       5.16347955       1.65495876       2.11519235      -0.26747051 
Hf       3.53899112      10.57275474      10.12595600       1.90542033       1.44576757       3.73071297 
Hf       7.33136155       0.13484502       5.24683802       0.22417759       0.40490109      -1.44668226 
Hf       5.26475625       1.69024621       2.40461961       2.09188535       1.34998748       1.30903765 
Hf       5.21855403       1.76509519       7.92297958       3.16288692       1.32109218      -0.75947992 
Hf       1.60756008       9.15646473       2.23125817       1.38018392       0.17850448       1.05963710 
Hf       3.42485919      10.72485031       5.15433192      -1.48564473       1.93756833       0.06515219 
Hf       3.47324252       3.36973374      10.40283412       1.53823999       2.68295221       0.98073028 
Hf       7.34492694      10.65737724      10.60364569      -3.85761864      -0.26111654      -1.14140236 
Hf       9.18269306       1.98680432       2.46837628      -3.61293594      -0.40922053       2.04323776 
Hf       5.17596861       5.43235533       8.15042200       0.36613937       2.78323821      -0.81047173 
Hf       9.24375655       1.56427117       7.75710712      -0.90362726      -0.07152456       1.85577356 
O      10.77445097       9.55610860       1.58394113       1.10342667      -0.21488381      -1.50185242 
O       5.53456046       7.30793466       3.53195601      -0.53000998       0.02610836       1.18751982 
O       0.05452363       5.42455619       4.19452046       0.64629718      -0.05681521       1.38031190 
O       0.08938190       1.87762307       3.88653073      -1.78103124      -3.07577480       3.43071061 
O       2.43906887       0.00186887       3.07335919      -1.30689322      -1.21961065       1.90271106 
O       1.81722395      10.71838441       0.56858029      -1.49083488       0.11344537       1.18200540 
O       1.78190915       3.58258603       0.72518893      -3.29689828       0.71669216       3.23871117 
O       0.09817836       1.75134114       9.26247273      -1.36947829      -1.52764961       1.57929088 
O       2.14381475       0.04998445       8.77028243      -1.21392115      -1.81898820      -2.00771385 
O       1.53992606       0.11542234       6.13644886       3.92820009      -0.41737513      -0.72753209 
O      10.92590836       1.66995964       6.73720068      -1.60832741       1.23606477      -0.94463790 
O       1.67663262       3.49131510       3.82156490       1.72604379       0.88256366      -3.21766062 
O       1.71726579       7.59232843       0.93318740       0.05616248      -0.47622020      -0.58485375 
O       1.56818739       7.10452798       8.92843876      -0.93708373       0.74981604       0.53600015 
O      10.87810722       1.42994874       1.77301424       2.17279689      -0.77006409      -5.74673042 
O       3.74156647       5.22183963       6.86339370      -2.33298190       0.73341554      -1.30868358 
O       3.51349246       1.80174652       6.72235165       1.78585322      -0.58265409       1.10502660 
O       5.21982712       3.64669364       8.71685534       0.86381378      -3.44990384       2.28547141 
O       0.00648179       5.95938834       1.77615618      -0.34879556      -0.93922254      -1.63451292 
O       1.98086857       7.12395834       6.35650572      -3.89781948      -2.08028148       2.72596829 
O       0.10272192       9.07827537       6.55391059      -0.78234445      -0.68122438       2.25121954 
O       3.85732899       1.70753730       4.35311673       0.09295314      -2.76394060      -2.35723075 
O       5.93840673       0.02330725       3.55017560      -0.25056486       1.01028937       2.14051044 
O       5.41380628       0.10121635       1.17570919       0.25915489      -0.30055659      -2.01255243 
O       3.54351234       1.83976231       1.59475985      -2.17524580       1.11279833      -1.33242513 
O       3.88360794       1.82005126       9.35941761      -0.89590470      -3.64709801       0.48267265 
O       5.17736594      10.39543056       8.96662844       0.77023252       1.96919275      -1.58175991 
O       0.04511133       9.03996509       9.46932370      -0.16136717       1.10173733      -0.80090765 
O       3.50502358       5.35458789       4.26199155       1.08712305      -2.16797488      -1.96720030 
O       5.67486354       3.57046443       3.87994362      -2.02349272      -0.53455540      -1.85140425 
O       5.12169149       3.83855051       1.18658489       2.02596185      -1.02116212      -1.66117208 
O       9.09101950       7.25929309       6.06431239      -0.03486076       0.78250664       2.77182707 
O       3.39455445       5.16244890       9.32087281       0.21332711       2.50830032       2.61907075 
O       5.59205711       3.49015410       6.33239118      -1.96678938      -2.64327835       0.27595547 
O      10.43340581       5.44852617       9.70554865       2.24690855      -1.78285131       0.61717329 
O       9.13814443      10.77308323       6.23620011      -0.46106746      -0.38893323      -0.15477111 
O       1.71522808       3.51076902       6.21165786      -0.26662411      -0.03825051       0.66842707 
O       7.28506204       2.13129686       1.80856729      -1.43441265       0.00436359      -0.58414533 
O       9.02069885       0.13465242       0.72365283       0.13324904       0.67648561       0.52401670 
O       7.43956027       9.06250761       4.33486674      -1.09710035       2.37165435      -0.24521595 
O       8.17704807       1.95657222       4.39463987      -1.22466692      -0.84457435       1.45963130 
O       3.13759539       8.90334048       6.52204825       2.47872149       3.30403425       1.94072409 
O       9.10083805       6.96057523       8.66999069      -0.63512555       4.54739682       0.86904186 
O       6.92467341       1.66664535       9.70891677      -0.03568278      -0.16530453      -0.08926613 
O       7.22382852       8.95362020       9.32468597       3.49993312       1.24379025       2.91898780 
O       5.55119539       7.45240191       9.18133435      -2.25895381      -2.62353054      -0.96065222 
O       9.10304273       7.34850824       3.78778424       0.18554536      -0.68892064      -1.73956237 
O       5.27213282       7.23839277       6.30818385       0.14086168       1.68939496      -0.37695153 
O       7.10665585       9.22767347       1.65499620       1.14648351      -0.23197118      -1.03760714 
O       9.18084468       7.64813775       0.97551750      -0.63279366      -0.69065253      -2.12328372 
O       7.29034086       5.04051487       9.52553453       0.04073567       2.91748842       0.51152196 
O       3.30700527       8.78026461       9.39835567      -0.73832841      -1.27442440      -2.13544518 
O       9.24697597      10.80582490       8.85035898      -0.15122035       0.02523985      -0.63334225 
O       6.85876868       5.37444060       7.10371954       3.68984488       0.23239892      -1.44751744 
O       5.16750806      10.69003390       6.16498709       1.66832067      -0.01949328       0.64040081 
O      10.95395342       5.61147026       7.00327772      -2.13359125       0.70482331      -0.67030236 
O       0.05283202       9.20958796       4.00785237       0.63735212      -0.31490807       0.32532788 
O       1.68939493       7.31941436       3.96658677       0.82504541      -0.22571960      -2.34348461 
O       3.61964569       9.09611054       4.15348391       1.62838680      -1.51768063      -1.44799182 
O       3.56203948       5.61013078       1.64208271      -1.95723117       1.53649388       0.09300187 
O       5.65136051       7.14364221       1.01733656      -2.07338963      -0.63223592       0.26525799 
O       9.09296923      10.77266241       3.20139900      -0.29580732       5.61977333       3.11899777 
O       9.19534911       3.44900281       8.84949930       0.01079779      -1.75694750      -1.63108745 
O       7.47984285       5.60478995       1.61904701      -0.93051904      -0.60622644      -0.72719261 
O       9.11128733       3.50825078       0.76677149       1.48140294      -0.74229695       0.09285867 
O       9.43853977       3.85812450       3.31855024       0.39975582      -3.90320522       1.24773892 
O       7.13475438       5.32877687       4.33336635       1.21207369       3.63029621      -0.59893823 
O       3.74093069       9.10172724       1.15741976       0.70348215      -0.94128356       1.93625462 
O       9.17503778       4.15901275       6.06713715      -0.35871324      -1.00821014       1.13212793 
O       7.34927089       1.59675560       6.90783812      -0.56506618      -0.72101916      -0.05837136 
O       1.81864516       3.32328151       9.00020279      -0.59381656       1.53648825      -1.38591878 
O       7.27104669       8.95313528       6.93517793      -1.31719097       0.12595975      -1.24308665 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.008001707604245676 -0.0026690170824392547 -0.0037857962419719764 -0.0026690170824392547 -0.023436729978777632 0.006162280869552432 -0.0037857962419719764 0.006162280869552432 -0.015157174461748331" pbc="T T T" energy=-1062.82230403 free_energy=-1062.822311 config_type=crystal 
Hf       1.63343004       1.51625233       2.62263836       1.99946769      -1.05901710      -1.67203316 
Hf       3.72019964       7.26161007       0.18316839      -4.27321789      -1.51727728      -2.85548549 
Hf       5.36724722       5.21364027       2.76253652      -1.41494630       3.87002679      -3.79172497 
Hf       8.79438273       5.52359876       8.14950196       4.33710943      -1.63779946      -1.61232716 
Hf      10.83162026       7.19629445       5.10485148       0.52129881      -0.94009045       2.06099026 
Hf      10.63401970      10.72821413       0.13126964       2.16545089       2.54052383       0.91442652 
Hf       7.41773482       3.56663366       5.36725481       2.03057069      -1.19537819       1.69669059 
Hf       7.06624202       7.18565617       4.89204551       1.45758216       1.36965212       4.17264298 
Hf       1.69056185       5.18129629       2.65060050       0.31275477       1.58496584      -1.20021243 
Hf       0.27876600       3.38470052       5.17645629      -2.49371563       2.53329988       1.62061045 
Hf      10.73613258       3.47753235       0.03152179       0.97053241       1.21866373      -1.71809231 
Hf       1.67166188       5.55286432       7.99191438       0.00907929      -0.85623263      -2.32613791 
Hf       9.03167019       8.93705111       7.80935993      -2.17742624       1.53283852      -3.78836079 
Hf       1.91263252       2.13927765       7.97525651       1.60576808      -0.70346498      -1.92162690 
Hf       7.16743207       7.03540778       0.11123323      -0.78759410      -1.59661330      -0.45208575 
Hf       8.85253598       8.99913208       2.57853683       3.08785865       2.89298538       1.72823387 
Hf       5.44971950       8.81381473       2.43004917      -1.76568925       3.43148824       0.01457532 
Hf       5.37735851       9.04431955       7.93088798      -0.09149846      -0.70907593       0.43307675 
Hf       0.05552249      10.77208667       5.37394566      -3.10938213      -0.98433226      -2.85238474 
Hf       3.59595520       3.48159932       5.09488094       0.87031151       1.59494358       2.04584756 
Hf      10.68264747       7.31343030      10.51329568       1.08108239      -4.16835643       3.01751880 
Hf       1.77505628       9.21495301       7.71085567       0.90147887      -1.10576884      -1.72464739 
Hf       7.15115430       3.45643646      10.38497825      -1.20892698      -0.35127188       2.62234277 
Hf       9.04701232       5.14088980       2.78316666       0.66135366       0.91508808      -3.48926438 
Hf       3.57464940       7.36476629       5.24676298      -1.94335705      -2.68780935       0.00867568 
Hf       3.57353824       0.06378649      10.20655720      -3.03280520       1.33528250       0.66237824 
Hf       7.21465528       0.02283658       5.29089916       1.11204765       0.51057199       0.59731337 
Hf       5.24150247       1.80698502       2.46606883      -0.52006620      -0.47242912      -3.86575851 
Hf       5.42194143       1.79288870       7.84862845      -1.34261040       1.28952073      -1.03727192 
Hf       1.77019981       8.69231017       2.40096015      -2.47089448       0.31468830      -0.18742905 
Hf       3.64019268      10.82359882       4.76002408       1.87839311       1.19372238       0.14467244 
Hf       3.58532240       3.90527847      10.48642812      -0.56070125      -0.62245951       0.88965119 
Hf       7.30386813       0.13055465      10.43733479      -2.74876670      -2.55725161       1.05785692 
Hf       9.02913684       1.89921625       2.56995062      -3.54807224      -4.24971403      -1.43366891 
Hf       5.30868400       5.40576939       7.78242753       0.33569708       0.34522921      -0.97059724 
Hf       9.31089656       1.55933286       7.95525687      -0.42107548       2.01003984      -0.96185166 
O      10.78884376       9.41529256       1.78381618      -0.56704284      -0.99944875      -0.11281110 
O       5.52867238       7.27738594       3.65667680       0.05021830      -2.51503857      -1.35688794 
O       0.37266549       5.28627044       4.31444938      -2.15862267       0.12131456      -0.41842014 
O       0.62171685       1.56090285       4.51004764       0.55622250      -0.26146847      -3.44486901 
O       1.87988395      10.37497352       3.32185097       0.39806696       5.17941016       0.03708297 
O       1.83112164      10.78108702       0.77199681      -1.47593983       1.19483308      -0.42118828 
O       1.64476742       3.66865812       0.78237720       0.38302409      -0.41127894       1.92482302 
O      10.81619180       1.61896177       9.58081861       0.13593487       0.84063126      -0.22323392 
O       1.92817021       0.23556616       8.33693385       0.00982745      -2.97993770       1.27004356 
O       1.98244438      10.52297999       5.62465688       0.16830277      -0.55729501       3.72971183 
O      10.91955454       1.33309025       6.80375364       0.88070850       1.35119103       1.18477299 
O       1.91544307       3.51606175       3.79694399      -0.69317357      -1.04088381      -2.45670918 
O       1.58427080       7.28750205       0.90631846      -0.67697874      -0.00697141      -1.51409890 
O       1.37337536       7.43969930       8.53245526      -0.63493323       0.19155537       1.24429959 
O      10.73904491       1.78517798       1.43285797       1.55428719      -0.44663787       2.07349729 
O       3.59284151       5.61927050       6.92681832      -2.57936478      -0.52464927      -1.51861468 
O       3.68218002       2.28807251       6.81035361      -2.47860576      -0.01745978       0.48289384 
O       5.40599629       3.73397396       8.85925067       0.27182107      -0.05966249       0.22378541 
O      10.94128357       5.37115106       1.51710183      -2.02271869      -0.07918263       1.89556080 
O       1.67613379       7.60374414       5.88237750      -0.12444024      -0.04239640       2.35551943 
O      10.91153321       9.24360842       6.66848462       0.05712176      -1.32870431       4.52764027 
O       3.58743352       1.85243062       4.00669987      -0.94301884      -4.29020192      -0.57903591 
O       5.25493913      10.87785578       3.17302765       0.01314202      -0.79508329       0.65020293 
O       5.19132848       0.14608391       0.44704787       3.73497067      -0.69235397       1.11651795 
O       3.63639709       1.92866532       1.22609713      -1.83999850      -0.71440918       2.61817825 
O       3.59456105       2.21570057       9.44784026      -1.06738228      -2.28692162      -1.30083777 
O       4.54858192       0.14504385       8.47049946       1.76686963      -2.63255145      -1.26222123 
O       0.01824974       9.03539983       9.93060125      -0.33929196       2.73091048      -4.05814873 
O       3.72165328       5.28883699       4.15282407      -0.74002941       2.96751072       0.77461127 
O       4.92742353       3.56143307       3.28495261       0.45197858      -4.28386070       3.26890439 
O       5.31733902       3.70725830       0.95626413       1.04262802       1.11683605      -1.37159608 
O       8.79006738       7.39131136       6.38740338       1.57877450       0.12201955      -0.47308892 
O       3.42578157       5.77390403       9.24211277       0.24325061      -1.08566774       2.87664021 
O       5.62396975       3.52585357       6.08627116      -1.12001899       0.59865580      -0.02358601 
O      10.39750618       5.53810768       9.68458221       0.75424241      -1.22299848      -0.17504259 
O       9.03143979      10.59309904       6.15314893      -1.69949881       0.87857454       1.16705278 
O       1.71405272       3.91670569       6.40314758       1.05394270      -1.72015484       0.16372662 
O       7.02402285       1.89060209       1.32657148       1.92612221      -0.67864929       1.55905249 
O       8.82965755      10.86642615       1.07664393       0.22634599      -0.17410810       0.07700332 
O       7.09513310       9.16532682       3.75367280       1.24345257      -0.74371377       1.43659852 
O       7.46216765       1.94209671       4.10324127      -1.38318057      -0.46612556       0.87984620 
O       3.64749540       8.63386167       6.93080027      -0.25415755       1.45899120       0.21341832 
O       8.82741277       7.35476170       9.01586090      -0.45295031       1.34333041       1.71987420 
O       6.86324257       1.75994467       9.50890896      -0.12471311      -0.64584579      -1.97178232 
O       6.97878202       9.75594791       8.81001438       0.66081342      -0.11446513       2.49630487 
O       5.75673806       6.95803344       8.93244674       0.36498103       3.53350341       0.58411054 
O       9.03869518       6.94956894       3.67299232      -1.06424786       0.43078237       0.24011005 
O       5.32743673       6.94836882       6.04562884       3.67390047      -0.04920471       0.41277442 
O       6.85693082       9.13734969       1.02765285      -0.02582427      -1.30109148       0.11510521 
O       8.82140834       7.64359572       1.14651909       1.48441950      -1.88102150      -2.00806798 
O       7.36355488       5.18864886       9.59982231       0.67523295       3.60152958       0.67655042 
O       3.64985730       8.90555743       9.72031829       0.53177279       1.59024030      -2.30179636 
O       9.04331489      10.90749023       9.04039976       0.78020668      -1.53711214       0.88565871 
O       7.32995633       5.33805835       6.90230764      -1.62939113      -0.85626187      -1.71067042 
O       5.26268732       0.57334479       6.05888235       0.72740059      -2.64142792      -2.33300012 
O      10.77388981       5.46640976       7.01089637      -0.38106871       1.63491904       0.82069253 
O      10.49029364       8.94068258       4.28735500      -0.46872634       0.29039135      -1.20607945 
O       1.66933647       7.14988878       3.68767585       0.78543083      -0.19853733      -2.56892185 
O       3.84852179       8.96721572       4.12812843       0.54892315      -0.09534567      -0.31147917 
O       3.40280947       5.49672183       1.37263937      -0.37813050      -0.76079572       1.85303919 
O       5.35952302       6.72057277       0.97283549       1.75614344       2.57942384       0.83397414 
O       9.16193517       0.09393083       3.61845672      -0.11615773       0.57883338      -0.37776325 
O       8.97754218       3.39243808       8.91692043       0.08975892      -0.24837438      -0.23039590 
O       7.04495188       5.51106466       1.77489260       5.19561492       1.20826025      -2.66010155 
O       8.92732262       3.66421415       0.96216280      -0.35178839      -0.11991007       1.20209043 
O       9.58733090       3.40253086       3.56791402       0.96490705       1.31311906       0.52376939 
O       7.31609579       4.87425790       3.86859483      -1.01732474       0.99643780       2.98820451 
O       3.51344611       8.74686437       1.54286801       3.29161968       0.11007353       1.16641536 
O       9.40714973       3.54093866       6.04592719      -2.03356973      -1.02305169       0.56035838 
O       7.28351330       1.51843630       7.05058708       2.22247532       0.07845038      -1.42658630 
O       1.65517759       3.69580797       9.02031360      -1.53592520       2.99798865       0.75872054 
O       7.03085523       8.99222640       6.60908371      -1.34766605       0.54540712      -1.71497317 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011844532227991427 -0.0016492578506610552 0.0019379022447910134 -0.0016492578506610552 0.018725299396155064 -0.0031657497457848313 0.0019379022447910134 -0.0031657497457848313 -0.013167854783366966" pbc="T T T" energy=-1063.50997229 free_energy=-1063.50997462 config_type=crystal 
Hf       1.92982468       1.71338726       2.68970746      -2.84098291      -1.01193968       1.32142467 
Hf       3.75182139       7.41702290      10.37970254       2.47256566      -2.12368066       0.66386835 
Hf       5.42872287       5.31435713       2.52257504      -1.88025455      -0.17878430       1.95287635 
Hf       9.23955996       5.08197161       8.20911736      -4.69902493       2.38480755      -2.21480748 
Hf      10.40028155       7.14814644       5.30716833       3.68039099      -0.39201521      -0.09828736 
Hf       0.00011098       0.06855881      10.48233287      -1.95799502      -0.60131217       0.90809895 
Hf       7.33669811       3.28612960       5.62330125       1.80019826       3.13427762      -3.81211089 
Hf       7.15704447       7.25983454       5.24105467      -0.13955138      -0.53804032      -2.98808809 
Hf       1.64175594       5.44104399       2.49198382      -0.79373624      -1.02276449       0.72090284 
Hf      10.87382288       3.42188102       5.34158971       3.17274423      -0.06587798      -4.99260656 
Hf      10.76177762       3.65936174      10.59939313      -2.26796196      -0.97545729       0.12328728 
Hf       1.61879041       5.60356540       7.75340600       2.44562252      -0.84302820       0.11670212 
Hf       8.96913477       9.09147834       7.88845510      -1.76775348      -0.19396923       0.97186915 
Hf       1.78404535       1.82714592       7.77065219      -1.87774926       1.07252809       0.96816268 
Hf       7.45032246       7.30159640      10.44353458      -0.64541601      -2.05383270      -0.24646555 
Hf       9.07518359       9.16804051       2.40372358      -1.58906367      -0.75427899       0.19501537 
Hf       5.35374088       9.10768007       2.55022617      -0.15764086      -3.58975457      -0.60618449 
Hf       5.31074099       9.22345957       7.89500958       0.11124274      -2.92477482       1.75470896 
Hf      10.69490022      10.45030687       5.34586384       2.46172960       2.34028102       0.66193538 
Hf       3.75024483       3.58405228       5.13062043      -0.23371373       0.49123649      -1.20622936 
Hf       0.05982962       7.47630231      10.39917668      -4.21887968      -0.27710505      -1.73728359 
Hf       1.94625463       9.06634747       7.82715468      -0.93893391       1.61512723      -4.36246851 
Hf       7.11235845       3.55040487       0.00064369       1.65819822      -2.24894314      -0.66496132 
Hf       9.02334528       5.22908669       2.76172382       0.12839361      -1.45600146       1.74670841 
Hf       3.56256920       7.17599462       5.23088485       0.23697007      -1.04533713      -0.98349442 
Hf       3.33035207       0.02306939      10.31113646       1.42199299      -0.57566231      -0.31872247 
Hf       7.18967538      10.79896513       5.09929145       0.65098254       2.74293638       1.80674522 
Hf       5.26195491       1.57773423       2.27292428       2.22761536       2.05899884       1.73044358 
Hf       5.24695308       1.77213563       7.50953359       1.98990687      -0.18226849       4.00655252 
Hf       1.76536975       8.94241681       2.17343333       0.99040971       1.84360095       4.41534493 
Hf       3.48645678      10.67197501       5.17211338      -1.63973252       1.93114456      -0.51528772 
Hf       3.49355462       3.65758051      10.60188351       0.91677483       1.45276425      -2.59432108 
Hf       7.13477344      10.76184730       0.08522449       3.42564579       2.14360950      -2.09682658 
Hf       9.02934226       1.57096956       2.66413058      -1.49534685       4.15626214      -1.37367406 
Hf       5.54524168       5.38942282       7.83141776      -0.64586520      -0.26445462       1.02242073 
Hf       9.12064737       1.74936523       7.98733286       0.27249012      -5.92236036      -0.48156012 
O      10.89270050       9.38035563       1.55219592       1.30913653      -0.82052835       0.08670791 
O       6.04406157       7.20764256       3.43783760      -2.67174015       0.61663683      -0.70902434 
O      10.95577803       5.33224401       4.29576116      -0.40837502       0.09419208       0.61844274 
O       0.33203571       1.50198116       4.63623981      -1.64792746      -0.23251110       0.22774953 
O       2.16770365      10.81120638       3.51706807      -0.08534363      -1.72866242      -0.51302170 
O       1.73800364       0.11614313       1.06535264       0.24196162      -0.45139276      -2.45485873 
O       1.55913401       4.11380654       0.41127842       2.32740665      -0.31943181       2.84938688 
O      10.79789429       1.69630137       9.34240238       0.17011164       1.14371348       3.68780902 
O       1.60232968      10.69530209       8.67297436       1.58816088       3.70006950       3.17225709 
O       1.64536036      10.70363665       6.19680224       1.77945641      -2.05672374      -1.16083302 
O       0.07327800       1.11033418       7.23508111      -3.66170795       0.95768915      -2.51740521 
O       1.41350116       3.56950523       3.44303050       2.23664777      -0.13272680      -0.96988576 
O       1.50395477       7.38733137       0.94425187       3.35494639      -0.17888980       0.01844597 
O       1.49648650       7.59084192       8.86780404      -0.79658848      -6.04935607       1.42912527 
O      10.88371801       1.73608612       2.02607628       1.92477323       0.35926391      -1.87518449 
O       3.51181411       5.40192789       7.08458043      -0.10574072      -0.51177480      -0.60272349 
O       3.47260489       1.55163243       6.80988413       0.51478265       0.15653443      -1.78122276 
O       5.20844263       3.55029322       8.96870641      -0.29726972      -0.61039138      -0.50791861 
O      10.72920346       5.49556170       1.56084580       0.22190493       0.21949916       1.17461832 
O       1.86413623       7.03887064       6.18091411      -1.42339422       0.56668844       0.50524538 
O      10.60621403       8.79511942       6.81812776       3.19627611       2.15560064      -0.21100030 
O       3.64892954       1.57784521       4.12510565       0.41352431       1.64132411      -0.04446538 
O       5.84136856      10.76882649       3.39065780      -1.83320288       2.47625802      -0.42879247 
O       5.30248554       0.32239531       0.66155512      -2.17883758      -0.05308692       0.52955368 
O       3.40727415       2.14832621       1.28838509      -0.20063043      -1.72469204       2.53093705 
O       2.98520301       1.79633568       9.43825471       0.77460854       0.99441278       0.73579929 
O       5.03387794      10.89666230       8.76956380      -0.02829836       3.36262058       0.10635428 
O      10.78293870       9.35357796       9.39491496      -0.77290204      -2.04777861       1.02058353 
O       3.62847338       5.38409875       4.12561372       0.93599119      -1.10667309       1.51905390 
O       5.36507278       3.40021947       3.61648728      -0.42849801       1.25038955      -0.55600648 
O       5.40619547       3.50313937       1.02146826      -0.59361912       1.18377831       0.27143565 
O       8.76909705       7.78383526       6.17784733      -0.30833330      -0.95181704       0.81521258 
O       3.44968669       5.51793999       9.78031442      -0.56511306       0.96602957      -1.27329024 
O       5.46741245       3.81217022       6.27331860      -2.18685787      -2.21518814      -0.32373212 
O      10.23398711       5.48202841       9.86868159       1.89203164       0.50264374      -0.53810976 
O       8.61530637       0.11646787       6.66087267       2.51822636      -2.84593347      -3.15822385 
O       1.87760225       3.45474496       6.10829498      -0.89150519       0.16644837       0.50268800 
O       7.25979378       1.68976919       1.56538714      -1.67456708      -0.44091847       1.55137673 
O       9.14193729       0.01315772       1.02028749      -0.87525664      -0.67220642      -0.57052997 
O       7.53074004       9.19663447       4.23651086       0.62023631      -4.17186094      -1.14262890 
O       7.36759337       1.69403118       4.28740060       0.36492105      -0.27702356       0.38611190 
O       3.71136286       8.93207533       6.70178284      -0.52299436       0.59945775      -1.01613608 
O       8.78007847       7.16252773       8.73190185       0.33062671       0.75529278      -0.28046004 
O       7.21497180       1.66622113       9.80852591      -0.56225398       0.84278751      -1.15745808 
O       6.99880828       8.94665623       9.54905906      -0.58768012       2.03526146      -0.63177039 
O       5.12520201       7.23371872       8.75316081      -0.11182675       0.57903904       0.04575094 
O       9.14941257       7.07119698       3.82962998       0.11893580       2.57987859      -3.66602786 
O       5.47763571       6.72380818       6.13845700      -1.28789163       0.08900370      -0.16167205 
O       7.11969010       9.32096600       1.69237361       2.59496568       0.35389122      -1.43264440 
O       9.22699321       7.82213590       0.59438771      -1.48085829      -0.00356143       1.92324012 
O       7.12686277       5.36927298       9.58532478      -0.02888639       0.05303229       0.76815503 
O       3.44121222       9.09714621       9.30072565      -0.26765732       0.33908071       0.15532409 
O       8.71261263      10.73789595       9.04955473       0.30159823       1.35052963       0.44870295 
O       7.38728733       4.94678432       7.06705990       0.42748747       1.05366302       0.66775504 
O       5.53735084       0.31694711       6.09421772      -2.95088466      -1.25316839      -0.24450216 
O      10.62557350       5.64143920       6.93078209       2.09131541       0.65967673       0.04921570 
O       0.48765901       8.72161780       4.32947645      -2.13200026       1.75763178      -0.25706151 
O       2.22853213       7.16191715       3.32275146      -0.07138253       1.91550569       0.04197844 
O       3.96596452       9.03086602       4.11046824      -0.04243836      -1.23391704       0.64658554 
O       3.47551184       5.56840420       1.56090330       2.12924770      -0.86405895       0.23784855 
O       5.63232468       7.52994891       0.73554657      -2.67259737      -0.78112581       0.28877723 
O       9.14459116      10.82900670       3.52842676       1.72515175      -2.15434520       3.11679256 
O       8.91910277       3.30860441       9.02256047       0.22656386       3.07355475       2.16569590 
O       7.19795888       5.54679141       1.81196145       1.99796126      -0.61799584      -2.28920912 
O       9.00928708       3.40848599       1.10567407      -0.30533885       1.32426849      -0.77250488 
O       9.00483194       3.41345717       3.76429936       1.57655718      -0.16209511       0.27288347 
O       7.69628619       5.45377541       4.35086838      -1.82404455      -1.64489624       1.91942779 
O       3.75246451       9.40490561       1.09949575      -1.40653049      -2.07230097       2.19943289 
O       9.31028620       3.63745675       6.41641162      -1.46138020      -2.40240256       2.02840199 
O       7.19498072       1.82795393       6.91468277      -0.06759379       1.98197650       1.49565002 
O       1.36500322       3.75637131       8.69421854      -0.84746042       0.56802526      -1.57094143 
O       6.78290868       9.01525350       6.77633964       2.06433013       0.26410853      -1.20389183 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0249893291789569 0.005402416916855313 -1.1459729072087082e-05 0.005402416916855313 -0.006643826555579709 0.004919707052062859 -1.1459729072087082e-05 0.004919707052062859 -0.032437593093856236" pbc="T T T" energy=-1060.44747074 free_energy=-1060.44747253 config_type=crystal 
Hf       1.89041441       1.75227711       2.71583141      -1.95537893      -1.41158144       0.63803066 
Hf       3.76520875       7.38811593      10.21971813      -1.28264816      -1.90227351       2.00553733 
Hf       5.45922876       5.38914432       2.50676621      -1.68509949      -1.23561009       0.23539524 
Hf       9.23271213       5.04494997       8.13862891      -0.12343487       2.12446558      -0.29394731 
Hf      10.43565683       7.16314477       5.40017962       3.91996875       0.54942902      -2.74170575 
Hf       0.09026199       0.13527275      10.37882661      -4.41642012      -2.01619687       1.82208103 
Hf       7.39795979       3.29708111       5.55460996       0.17385065       2.93590549       0.19073494 
Hf       7.14092524       7.32249289       5.21581197      -3.51226638      -3.53179114       0.17281004 
Hf       1.68277334       5.56597975       2.46462956       0.10981991       1.05285596      -0.88023683 
Hf      10.77927906       3.32556211       5.24334512       0.79070738       3.78708345       0.99574839 
Hf      10.69549404       3.68710781      10.62662729       3.44812740       3.80778172       0.92056069 
Hf       1.74397268       5.57490352       7.62610608       0.86949622      -3.28996783       0.78643434 
Hf       8.93946011       9.15708966       8.02818414       1.05561757       0.70399632      -1.24971857 
Hf       1.63865309       1.72260476       7.69641628      -0.87943085       1.95407310       2.19322225 
Hf       7.45141313       7.26999360      10.32494513      -0.62042210       0.80383862       3.59587569 
Hf       9.17055886       9.11442546       2.42972424      -0.47098552       6.34512014      -1.31038723 
Hf       5.34171886       9.06494137       2.62305459      -0.42727256       2.35427896      -0.77743982 
Hf       5.30339105       9.19076764       7.92868395       2.68916307       4.14625416      -0.66782639 
Hf      10.71729001      10.48387254       5.28963484       1.20879210       2.37469844       2.52467329 
Hf       3.74159057       3.53415120       5.15957106       0.37480880       0.52713842      -1.47918497 
Hf       0.09993943       7.50667004      10.42544923      -1.43389395      -3.64193303       1.33843047 
Hf       1.89522081       9.01620887       7.68365329      -2.10697162      -1.37305612       1.69609475 
Hf       7.23459126       3.52467218       0.05428507      -0.45481557       0.14071478      -0.86073101 
Hf       8.94588537       5.21984585       2.77113548       4.34571651       1.08582036       0.97424553 
Hf       3.51294159       7.07929248       5.21592559      -0.25717481       0.42922480      -1.85109018 
Hf       3.30840227       0.01566182      10.40304043       4.04324159       2.98872116      -2.10805326 
Hf       7.16848582      10.73171096       5.05018079      -0.31711427      -0.54821226       1.40230308 
Hf       5.32104391       1.60177750       2.29956980      -3.38150166       1.37824339       2.69559607 
Hf       5.21730877       1.76492165       7.54227399       1.04209624       0.41064863       1.49394168 
Hf       1.78237839       9.02807947       2.26066383      -0.07513829       0.30211988       5.09602342 
Hf       3.40032432      10.67159977       5.34284967       4.37984637       1.41824698      -4.78068419 
Hf       3.47300073       3.60494865       0.01827784       0.37857587       0.91197808      -1.00929706 
Hf       7.15007612      10.79599890       0.04574148       0.74141224       3.31505757       0.28057621 
Hf       9.01015502       1.62237642       2.68769326       2.76185588      -1.03464998       0.11348674 
Hf       5.57301175       5.41167917       7.94958556      -1.07970488      -1.24109908      -1.64468454 
Hf       9.05153298       1.73213494       8.03849034      -1.02549451      -1.81883328       2.39701597 
O       0.09077835       9.60637386       1.65146504      -2.42587040      -0.97574106      -2.13701045 
O       5.52093810       7.28063659       3.14404736       1.06699795      -2.25917343       1.97858370 
O      10.81826938       5.37745339       4.13729977       0.28697107       1.47805120       1.25963942 
O       0.03490614       1.61825434       4.62722950       1.41085205      -1.69586380      -0.87350506 
O       2.00335478      10.79602575       3.65236674       0.87255627       0.62610561      -0.26267682 
O       1.72105876      10.88236823       0.65286911       0.15616767      -0.22797980       4.61272058 
O       1.76148815       3.91708827       0.77447422      -0.56351391       0.08828961      -2.07998971 
O      10.91342126       1.96995070       9.68531412       0.18925287      -2.26987069      -1.17023405 
O       1.67352747      10.87698511       8.96539027      -0.97927382      -0.99259150      -3.54666533 
O       1.82692122      10.29098252       6.22131707      -3.53237032       2.31536074       0.79377672 
O      10.58065314       1.02587963       7.00449378       3.34224470       1.52149305       2.08058880 
O       1.52747960       3.68417785       2.89819232       0.85666165      -1.76573376       4.79720284 
O       1.76791078       7.40004614       0.98954438      -0.57325664      -0.53458881      -2.52201598 
O       1.37445814       7.07377350       8.74396545       0.83840542       4.38957856       1.43445589 
O       0.04603645       1.48533494       1.98450658      -0.32047497       1.29841936      -1.54468913 
O       3.56023919       5.23924367       6.73566511      -0.18812703       0.05363413      -0.04148732 
O       3.35870302       1.61298910       6.65282662       0.11890627      -0.49854653       1.25740174 
O       5.47331138       3.45024128       8.60561913      -1.62627125       1.68553695       1.49391686 
O      10.86497076       5.46087709       1.47600289      -1.24375950       0.59942601       0.95988544 
O       1.66333784       7.23697725       6.14102975       0.71711842      -0.47114292       0.11656519 
O      10.93775180       8.91965638       6.86332408      -2.47838375      -0.36896755       0.67580779 
O       3.98662491       1.57486430       4.39588793      -1.97984621       0.94663626      -1.40706060 
O       5.65994355      10.95177318       3.56930196       0.66598927      -1.46720946      -0.51212598 
O       5.06012370       0.30447907       0.71624877       2.23737430      -1.20752618       0.71310855 
O       3.39034362       1.85759287       1.43338315      -0.57619542       0.60449944      -0.13318550 
O       2.87429017       1.89626864       9.41245674       1.33383257       1.43392844       0.20721366 
O       5.26697966       0.29425756       8.76715070      -0.86513768      -2.07038437       0.85600115 
O      10.67163910       9.11949469       9.47206545       0.24516052       1.84663668      -0.51456585 
O       3.81012210       5.34803938       4.07862089      -1.18880443       0.44647791       1.04986113 
O       5.13930665       3.49729861       3.40607676       1.15537770       0.09807101       0.14904341 
O       5.45113304       3.31611048       0.91152029      -0.45005085       1.12293777      -0.45038297 
O       8.71670393       7.75468550       6.08887303       4.33810679      -1.11383959       1.72373297 
O       3.33194803       5.56316658       9.53437988       0.96178734      -1.34596285      -0.80950265 
O       5.47133141       3.61258816       6.11115673      -0.12136043      -0.92733662      -0.45296278 
O      10.63722959       5.56417190       9.62302605      -2.75507415       0.81596943       0.78876610 
O       8.81478872      10.72178910       6.31926543      -0.22407083      -0.63724433      -0.58215771 
O       1.60298036       3.31339985       6.22119653       0.86717789       0.20991774      -0.74980290 
O       7.15865840       1.57275440       1.95163299       3.05265279       0.35131602      -1.69618772 
O       9.08119624       0.11018909       0.78552349       0.16356009       1.00388183       2.08423230 
O       7.48494835       8.86478500       4.16564062      -1.17743291       3.67429497      -1.03587124 
O       7.57560322       1.69056394       4.41136907       0.37388954      -0.65265582       0.61821067 
O       3.68924598       8.89579136       6.70666102       0.10101691       0.24796727       0.92792196 
O       8.75732428       7.16858059       8.84773361       0.49138881       0.73662889      -1.33973156 
O       7.17358661       1.85349215       9.81502990       0.73660861      -1.11857958       0.54870647 
O       6.84131085       9.16268083       9.64276676      -0.25828363      -2.66200022      -1.09908159 
O       5.00516457       7.39338511       8.43868495       0.09394458      -2.66476128       2.18630656 
O       9.43233100       7.57777919       3.23166582       0.17347951      -8.94583520       4.45332460 
O       5.36851428       6.84328117       6.06612591       0.76541613       0.67391067      -0.42137486 
O       7.20023017       9.50394796       1.63384790      -1.32635999      -0.63701564       0.60624448 
O       9.14122439       7.96135259       0.86037812      -0.53124166      -2.67741324      -4.30864395 
O       7.08127124       5.38153450       9.66864859      -0.42578610      -0.37809439      -0.54569542 
O       3.50620310       9.28841299       9.39487351       0.17680817      -2.25592334      -1.35601867 
O       8.64302231      10.87388248       9.19138927       1.49108603      -0.22512370      -3.56932301 
O       7.30467241       5.27754793       7.03273557       1.57195990      -0.29469743       1.33953834 
O       5.56400624       0.01939311       6.32885683      -0.22854477      -0.44299066      -1.52238850 
O      10.83791075       5.39842778       6.85540696      -2.84001509       1.48169080      -1.20960248 
O       0.12968332       8.99965698       4.17810238       0.67131480      -3.43923367       0.89247084 
O       2.16861990       7.40780814       3.43074561      -0.11567763      -1.96875001       0.74398675 
O       3.98406361       9.00918213       4.28990628       0.69134602      -0.04686347       0.28738901 
O       3.88824540       5.49998530       1.42360213      -2.39193445      -1.05575381      -0.21120349 
O       5.39695891       7.13692542       0.47486577       2.79808952       1.08968190      -0.05722887 
O       9.72175533      10.80998709       3.70383916      -5.44006759       1.59125776      -3.35207156 
O       9.11944134       3.46238535       9.36790965      -1.61502000       0.35649556      -2.18350001 
O       7.39183560       5.65138593       1.71727332      -1.56686210       0.20996396      -0.69276081 
O       8.95585851       3.72421216       1.18413607       0.06622542      -1.37500546       1.33310807 
O       9.34888529       3.48351838       3.83802848      -2.73213214      -0.96686006      -1.55891658 
O       7.62177345       5.40951415       4.66189099       0.61963043      -0.58319160      -2.67759167 
O       3.57915878       9.03361762       1.57375057       3.04015704       0.98286219      -2.07131504 
O       9.19388856       3.31486960       6.71377235       1.62443776       1.45435541      -1.69981869 
O       7.27119328       2.22794007       7.29073264      -1.32635225      -1.50798133      -1.66336518 
O       1.05333712       4.04677948       8.70914506       0.99917159      -2.86479537      -0.56048789 
O       7.21996828       9.10116607       7.08766549      -4.17596975      -0.58875150      -0.16340572 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.022453862247744517 0.006478486039084262 0.003501490495597675 0.006478486039084262 -0.003231283244799174 0.007626325844087614 0.003501490495597675 0.007626325844087614 -0.030314435199877313" pbc="T T T" energy=-1060.88390355 free_energy=-1060.88390518 config_type=crystal 
Hf       1.87658411       1.75329690       2.72452413      -1.80307752      -1.04815735      -0.41021523 
Hf       3.76447568       7.37405292      10.19989037      -0.19313991      -1.72705719       1.96261772 
Hf       5.45293180       5.39714428       2.50588549       0.51134501      -0.50706456       0.53504546 
Hf       9.22879153       5.05460648       8.11863204      -0.07083886       1.35663499       0.56345391 
Hf      10.46000556       7.16446070       5.40689333       3.41493400       0.40666217      -2.73716291 
Hf       0.09496486       0.13947897      10.36562677      -4.56879126      -2.29941921       2.35967296 
Hf       7.40999824       3.31263436       5.53848619       0.60583960       1.87965214       0.47694924 
Hf       7.13191491       7.32365061       5.21096291      -2.56176236      -2.63435279      -0.08871119 
Hf       1.68843771       5.58447534       2.45671308       0.18421867       1.90918843      -0.71274998 
Hf      10.76305564       3.31940933       5.22354988       1.43988768       3.37430029       1.26564367 
Hf      10.69437806       3.70288686       0.00434078       3.52333067       3.15801257       1.05704975 
Hf       1.77099982       5.56437524       7.60805761      -0.30283784      -3.94763480       0.83039024 
Hf       8.93935417       9.16605934       8.04700991       0.09426067       0.38418095      -1.56807027 
Hf       1.60747714       1.70942184       7.68734166      -0.46383668       2.38504551       2.97741304 
Hf       7.45273694       7.26343917      10.31401458      -1.42018145       0.50389518       3.63933774 
Hf       9.18717473       9.11297763       2.43547708      -0.85980959       4.89547834      -1.52804205 
Hf       5.33784526       9.05785317       2.63397047       0.44463976       3.24133978      -0.65088374 
Hf       5.31318747       9.19271024       7.93312028       0.79019633       3.83428367      -0.23478179 
Hf      10.72284843      10.49914335       5.28727796       1.13649352       1.12074668       0.79177284 
Hf       3.73325689       3.52664590       5.15513547       1.22443232       0.65650486      -0.91506935 
Hf       0.09882104       7.50132538      10.43159736      -1.40400161      -3.13941290       0.78283054 
Hf       1.87636860       9.00434812       7.65946413      -0.46294137      -1.99860563       3.04862399 
Hf       7.25513726       3.51960404       0.06057839      -0.79665236       0.26866469      -0.62037635 
Hf       8.94861013       5.21954522       2.78008425       2.97259573       1.84986960      -0.22113436 
Hf       3.50247478       7.05975442       5.20935953       0.16028966       1.51012605      -1.96840950 
Hf       3.31458803       0.02081180      10.41414167       3.75448339       2.75821748      -2.22010660 
Hf       7.16832017      10.72201041       5.04916179      -1.36077911      -0.85638636       0.76687454 
Hf       5.32489111       1.61327571       2.31507092      -2.87002911       0.92305796       2.04322237 
Hf       5.21950666       1.76588425       7.55683997       0.07783458      -0.04332253       1.28102967 
Hf       1.78391782       9.04568993       2.29237216       0.78784501      -0.06114505       4.02827840 
Hf       3.38889327      10.67919228       5.36050465       6.58439354       0.82782380      -5.30252438 
Hf       3.47208656       3.59995305       0.02130679       0.38881658       0.74179794      -0.92087164 
Hf       7.15907484      10.81051988       0.03687859      -0.27679306       3.21361700       0.46670661 
Hf       9.01652056       1.63283984       2.69429036       2.02900679      -1.58247986      -0.80521963 
Hf       5.57519802       5.41215937       7.96502493      -1.09403768      -1.32053528      -1.06913643 
Hf       9.04086162       1.71685122       8.04798746      -2.36734567      -0.55538626       3.58148559 
O       0.09568773       9.62449793       1.61150935      -2.57090058      -1.84654261      -1.51001701 
O       5.43098715       7.29418039       3.15853447       1.48078412      -3.48119776       1.96245860 
O      10.80723220       5.43049084       4.14554554       0.22566065       0.62864252       1.26329712 
O       0.00472631       1.57168717       4.61154620       1.59450033      -0.48177414      -0.73587608 
O       2.02128055      10.74505986       3.69659231       0.27054111       1.27617629      -0.95711494 
O       1.70117822      10.84217636       0.66561944       1.74646964      -0.21202397       4.27215590 
O       1.73013471       3.87082667       0.82773210       0.22662040       0.20353122      -2.66201165 
O      10.94132992       1.93979322       9.74487734      -0.07762373      -0.64340988      -1.58735508 
O       1.68337757      10.93535846       8.97193816      -0.99835150      -1.27835551      -3.42447283 
O       1.88224036      10.25300607       6.24187547      -5.88972198       3.18260214       0.43681174 
O      10.57714294       1.09973764       7.04775891       3.39585831       0.12169096       0.83511926 
O       1.58887089       3.75028317       2.92445828       0.73744707      -3.56227862       5.34797477 
O       1.84911884       7.38573552       0.92336249      -1.12655537      -0.22002374      -1.63054595 
O       1.40729699       7.03734929       8.73077943       0.46177122       4.81912322       1.73824328 
O       0.02329016       1.47069323       1.87821254       0.74954048       1.61092329      -0.30206391 
O       3.53018809       5.21351427       6.66940573       0.39499910      -0.00612543       0.15998780 
O       3.30449799       1.61266283       6.63462244       0.94226144      -0.69367974       1.40388034 
O       5.47473128       3.46083727       8.57185909      -1.97237366       1.82794564       1.86216879 
O      10.84743261       5.46467893       1.52730843      -0.89811081       0.60830147       0.23528201 
O       1.67710865       7.28407710       6.11274715      -0.11260524      -0.98298425       0.84392871 
O       0.02642609       8.96440977       6.91465067      -3.75771825      -0.32586810      -0.11941946 
O       3.98798959       1.58241408       4.41317037      -1.95986346       1.42289729      -1.72979300 
O       5.60087603      10.95269381       3.54356787       1.13510987      -1.16864695       0.06944191 
O       5.06627001       0.24257997       0.72920148       2.01895060      -0.72986947       0.83718076 
O       3.43486136       1.81312728       1.43598268      -1.91378555       0.77071468       0.39638310 
O       2.90014556       1.96125810       9.42017956       1.25782992       0.94345350       0.24758934 
O       5.28026217       0.31780858       8.79612589      -0.88980167      -1.99546520       0.52313311 
O      10.65639065       9.14668409       9.48986817       0.11152713       1.00366850      -0.53443654 
O       3.81349118       5.36525345       4.12999744      -1.08591417      -0.37744068       0.21976402 
O       5.14527209       3.54324687       3.33319913       0.86292610      -0.74438725       1.22652074 
O       5.46063748       3.33174469       0.88409981      -0.95031448       0.64488835      -0.46982179 
O       8.72189598       7.70893007       6.14932026       3.49467869      -0.61915931       1.16725523 
O       3.33337297       5.52925841       9.41111377       1.03025948      -1.14468862       0.23457585 
O       5.57638565       3.52342155       6.14806551      -2.71719683       0.06742565      -1.91993858 
O      10.64245966       5.59295167       9.56621532      -2.58885388       0.74466705       1.38746352 
O       8.85923393      10.63738911       6.19450977      -0.23983561      -0.66674508       0.74872897 
O       1.62196108       3.28907863       6.25880396      -0.21484102       0.71060415      -1.82056536 
O       7.16543074       1.55122410       1.95594305       2.76839271       0.59739338      -1.30524538 
O       9.02779308       0.15631769       0.78654271       1.21777117       0.60282858       2.12974731 
O       7.43599453       8.88416288       4.10721184      -0.68866892       2.41434239      -0.20271156 
O       7.63223303       1.63669635       4.44475359       0.03226965       0.32566219       0.71843387 
O       3.67302354       8.91944383       6.71059375       0.47232891      -0.31629571       1.12348714 
O       8.76544520       7.21047776       8.83142086       0.55979911       0.51514885      -1.47137692 
O       7.19752919       1.84443296       9.82381414       0.33362199      -0.80374255       0.53478004 
O       6.78020091       9.19311266       9.62166023       0.45658702      -2.80574807      -0.80458266 
O       4.98413157       7.36358983       8.46785645       0.27984468      -2.15824133       1.34306307 
O       9.46763726       7.50264152       3.15087192      -0.48590621      -7.51617950       3.77102041 
O       5.36552614       6.91364564       5.99596452       0.97382499       0.06489096       0.47292328 
O       7.20081029       9.53595197       1.60190307      -0.97979107      -1.10586416       1.19502334 
O       9.04863698       7.90560298       0.82372008       0.55486998      -1.51801715      -3.20528302 
O       7.04989895       5.34457433       9.69302535      -0.12611873       0.15839850      -1.23381031 
O       3.51795177       9.30148240       9.32826794      -0.19781124      -2.17919364       0.02395746 
O       8.64804005       0.02143213       9.19422987       1.81434693      -1.75889104      -4.17029356 
O       7.32440394       5.33856847       7.08697663       1.68712335      -0.47343909       0.59421696 
O       5.54017322      10.87369710       6.31029795      -0.33515670       0.61878748      -1.12475498 
O      10.78182020       5.39758997       6.80328585      -1.66661732       1.47751466      -0.70313167 
O       0.08297362       8.94215759       4.14444533       0.25001520      -1.65849089       1.75525677 
O       2.17510958       7.44974990       3.50623500      -0.58122449      -2.25474186      -0.56336804 
O       4.00719907       8.97387992       4.33207322       0.51151003       0.64928453       0.16986518 
O       3.95145264       5.45015204       1.44623127      -4.41866203      -0.72400645      -1.66297011 
O       5.45370310       7.09388368       0.44643607       0.99742240       1.31014970      -0.42309525 
O       9.66691452      10.82048929       3.66853515      -4.06978965       0.89915214      -2.21875268 
O       9.10930989       3.45174970       9.49934988      -1.67304692       0.68254047      -4.52411635 
O       7.39197628       5.66749684       1.62068632      -0.87862996       0.02896954       0.74088349 
O       8.91521361       3.74839326       1.21143624       1.01984233      -1.43777694       1.75513056 
O       9.33090978       3.45463935       3.79352188      -1.81465741      -0.56407019      -0.51906124 
O       7.61580506       5.38486710       4.64635341       0.49063650      -0.46065065      -2.28511716 
O       3.64267794       8.98431244       1.62942198       0.69886076       0.96431734      -2.35610794 
O       9.24365367       3.25863585       6.73299383       0.57263602       2.10487447      -2.10244957 
O       7.17482726       2.25616086       7.35072718       1.88612216      -1.68585526      -2.18308386 
O       1.02057813       3.99099580       8.69075317       0.89502343      -2.10116733      -0.78431509 
O       7.09552565       9.09473873       7.14172990       0.04235530      -0.72209349      -0.99684874 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0019847696431946338 0.0003915174718295328 -0.003618887265440742 0.0003915174718295328 -0.01300857678199869 -0.0042918152472893704 -0.003618887265440742 -0.0042918152472893704 -0.02731291560611443" pbc="T T T" energy=-1061.24756096 free_energy=-1061.24756401 config_type=crystal 
Hf       1.76559654       1.75042336       2.75888205       0.28359590       0.79594019       1.14940896 
Hf       3.76600547       7.26229317      10.11555499      -2.91805840       0.25412801       2.23750998 
Hf       5.43488880       5.44115048       2.48283172      -1.24495404      -2.61279733      -2.13923732 
Hf       9.20872890       5.13680463       8.00799829       0.87291819       1.97920268       0.32908018 
Hf      10.64704091       7.17494219       5.41136973      -1.93492606      -0.76453436      -0.95382947 
Hf       0.06788436       0.11579331      10.35126402      -0.44135035      -0.78212302       3.26227940 
Hf       7.50547365       3.42467052       5.44459290      -0.40141747      -0.58734502       0.37792746 
Hf       7.08518396       7.30435107       5.17799016       3.31297755       0.24114673       1.45558693 
Hf       1.72740140       5.70311063       2.40527117       0.42440782      -2.75275239      -0.05569414 
Hf      10.70632821       3.33879893       5.12041489       4.68910881       2.69059112       0.57845193 
Hf      10.73878251       3.83280486       0.05604417       0.89480074      -0.40507647      -0.77668254 
Hf       1.91228062       5.43430057       7.53255536      -2.88608051      -2.48680620       2.57489079 
Hf       8.94362394       9.20321058       8.11355287      -0.01345738      -6.86450488      -7.22101303 
Hf       1.44020049       1.69436293       7.69791316       2.73826014       3.13217534       1.78654969 
Hf       7.40959999       7.21135665      10.27552176       1.19641786      -0.03479434       1.36211920 
Hf       9.26064018       9.12263183       2.44635767      -2.66137465      -4.09765177      -1.51363209 
Hf       5.34572361       9.05595318       2.69911465       0.03473384       0.80449345      -1.75330680 
Hf       5.32918728       9.25779929       7.97550863       1.00814233      -0.46192154      -1.50648193 
Hf      10.77469726      10.58577529       5.26821347      -4.49026471      -1.10531452      -1.34990449 
Hf       3.68951484       3.49414898       5.11151544      -3.32710356      -0.22094752      -1.67894517 
Hf       0.06377126       7.43530058      10.46446531      -1.13076847       1.62113705      -0.57675643 
Hf       1.76748437       8.90162357       7.58008070      -2.19197610       2.60309113       2.79899300 
Hf       7.35721234       3.50421338       0.10484084      -0.94825692       1.13784184       0.45086888 
Hf       8.98536926       5.23754933       2.81725971       0.27060633      -0.79115939      -0.88981710 
Hf       3.45605607       6.98653591       5.14043046       2.41281992       0.88193703      -1.44515560 
Hf       3.41327245       0.08965317      10.44485470       1.30451086       0.10677584      -0.16221470 
Hf       7.13525408      10.64526275       5.04989678       0.86354448      -0.27147199       0.77713407 
Hf       5.31855405       1.69274111       2.43010476      -2.29616586      -0.37620101       0.05888296 
Hf       5.21425205       1.77354293       7.67732404      -0.56551853       2.06811404       0.57130959 
Hf       1.81176140       9.15109848       2.52894734       0.07644766      -1.54875534      -2.13633249 
Hf       3.42269603      10.72581148       5.39563743       0.36718863       0.77821490      -2.04137197 
Hf       3.48224474       3.59161148       0.02726285      -0.33567455       0.64653988      -1.21804157 
Hf       7.19779871      10.92944025      10.62594002      -0.38065565      -3.39688935       3.19317159 
Hf       9.08309349       1.66498102       2.69282399       0.68154925      -1.66049857      -1.85288305 
Hf       5.57814113       5.38949502       8.04740265       0.27136210      -2.12934763      -2.33327219 
Hf       8.93984587       1.67553669       8.15491467       3.12203745       2.71884935       1.67787335 
O      10.81914882       9.20691996       1.33303784       3.63627735       0.30549765       1.20507006 
O       5.23434250       7.00809195       3.51615557       1.42799991       1.99135425      -0.88977494 
O      10.91310890       5.45358105       4.32060783       0.44701854      -1.94437233      -1.38368627 
O       0.10703234       1.46210833       4.35398161      -0.63063270       0.65367298      -0.95186394 
O       2.05572829      10.67918110       3.67570420      -0.28023039       0.83719428       0.86151831 
O       1.97011559      10.62296247       1.14570703      -1.39499729       1.24212469      -2.89997508 
O       1.58445902       3.68802954       0.82317981       0.31473530       0.52568370      -0.15283568 
O       0.01932441       1.98523629       9.70614335      -1.20413937      -2.25083253      -0.60071937 
O       1.66505256      10.92317243       8.77907081       0.12751078      -0.61751856       1.78964522 
O       1.40241423      10.71198863       6.21337380       5.72155516      -0.53312941       1.38854696 
O      10.66334629       1.28262768       7.13920254      -2.92429631      -1.04953382      -1.69382435 
O       2.02001995       3.56651358       3.79114109      -2.30433496      -0.55443037      -4.37801042 
O       1.91882814       7.24861428       0.56850928      -0.92410812      -1.13618697       2.59388144 
O       1.64894867       7.40845246       8.81550308      -0.49362722      -2.37212737      -0.74482618 
O       0.13953759       1.69726627       1.51531435      -0.57281124      -0.04402122       2.05319344 
O       3.46379089       5.14769785       6.45662633       0.90978313       1.53318844       0.50412691 
O       3.38933830       1.44579605       6.74792109       0.73378766       0.09816962       0.51895633 
O       5.11314657       3.58110073       8.64042900       1.04241088      -2.47727683      -0.83463070 
O      10.84705562       5.54003956       1.65109377       0.14384313      -0.59683443      -1.28431919 
O       1.63785013       7.30806800       6.22785337       0.71466093      -1.02643112      -0.19129243 
O      10.58574132       9.18009660       7.07604034       4.87031450      -0.88317504      -1.71294216 
O       3.65172135       1.73485707       4.13754647       0.07143596      -2.29674303       0.05490060 
O       5.47461449      10.92206620       3.49600459       0.76516911       0.72912550       0.59010532 
O       5.26982636      10.85345578       0.89696590      -0.97814998       1.52541777      -0.86722568 
O       3.33866340       1.69238241       1.53139369       1.64084345       0.90087151      -1.56943305 
O       3.21642906       2.14057955       9.40667967      -0.48813331      -3.60106493      -0.32163420 
O       5.19194914       0.17881386       8.92762128       0.15879175      -0.31549730      -0.90505701 
O      10.57890368       9.27295900       9.54349414       1.08341613      -0.70257265       0.27496754 
O       3.70543862       5.24103421       4.15716357       0.25337328       1.82169560      -1.82322034 
O       5.34521744       3.51856158       3.28838525       0.92251257       0.74691711       0.08800839 
O       5.35543468       3.39080838       0.66074690       1.57706063      -0.38311400       0.83574786 
O       8.96206201       7.40552162       6.34388963      -0.99096876      -0.29365902      -3.94403909 
O       3.42481777       5.18539701       8.90702143      -1.12512290       1.31410487       2.71241055 
O       5.44803074       3.16402016       5.88086106       2.82112273      -0.23634616       1.75934936 
O      10.39922671       5.77165761       9.59307704       0.78603777      -2.82875560       0.63190580 
O       8.91018623      10.10825638       5.83102933      -0.77110792       2.50487393       0.56120370 
O       1.58618963       3.36102832       6.01893251       0.39063632      -0.45447375       1.99006368 
O       7.23517905       1.62487099       1.86519860      -0.64818471       0.94129081       0.04745950 
O       9.07316900       0.34889755       0.93095096       0.59501173      -1.14840811      -1.97681946 
O       7.12598969       9.00633543       3.95277534      -0.03704047      -2.78794257       1.55020050 
O       7.86198517       1.59519941       4.77800813      -1.22327212      -0.09976062      -1.03143823 
O       3.57607707       8.99066835       6.83953500      -0.32290123       0.61876951      -0.66905481 
O       8.83330294       7.40047781       8.66463176      -1.74117521      -3.56678824       2.96117080 
O       7.31821556       1.72871623       9.88857684      -0.08190445       1.58359580      -1.47608940 
O       6.71873534       9.05330873       9.54575907       1.09303076       0.73526533      -0.05610786 
O       5.01323947       7.12015080       8.57027845       0.48985106       2.92454187      -1.01569021 
O       9.39607563       6.99059960       3.11701292      -1.36515371       4.87054997       1.55302598 
O       5.37029617       7.19223405       5.90889993      -1.30535043      -1.44942391       2.05288017 
O       7.18481366       9.44916435       1.62774270       0.77475399      -0.84319205      -0.74913066 
O       9.14386139       7.65552100       0.59843491      -2.03369851      -0.18420614       0.39336070 
O       6.90029072       5.21394649       9.53904197       0.98991821       0.50046773       1.57060795 
O       3.44775624       9.11702872       9.29327281       1.21024415       0.86741489       1.24183150 
O       8.88887243      10.81456878       8.85337219      -1.53641767       6.98510883       4.19607246 
O       7.50760327       5.54504053       7.23851279      -3.21565842      -1.40318328      -2.79631762 
O       5.35133330      10.62730159       6.11248833       1.18654514       1.58362489       2.02655876 
O      10.44585457       5.52859831       6.59470438       3.12920860      -0.98429616       1.97960802 
O      10.76489515       8.77189784       4.14218284       1.14970416       2.84487082      -0.57802068 
O       2.03887632       7.30917740       3.53633484       0.32882624       0.17597685      -0.19975832 
O       4.13499851       8.99149827       4.49361617      -1.58005140      -0.18332945      -1.56804258 
O       3.47532296       5.19858552       1.33460647       1.60945411       1.89862427       1.47585865 
O       5.48748702       7.09460875       0.35558714      -0.31783767      -0.17904428       2.03122029 
O       8.98542579      10.74372071       3.37098756       0.49720984       1.96209175       2.02672473 
O       8.98130020       3.50748989       9.28286957      -0.08051839       0.03069640       0.12655127 
O       7.29691567       5.65818610       1.45383887      -0.02960726      -1.14083504       1.28787479 
O       8.97461770       3.57440771       1.44991475       0.52477578      -0.25080531      -2.58550173 
O       9.15268381       3.36551831       3.83999867      -0.18219531       0.96057708       0.23406283 
O       7.53043306       5.21612399       4.33327855      -1.18318827       0.92581605       0.54123991 
O       3.62729155       8.82514729       1.50261790       0.59739778      -0.04705059       1.48824697 
O       9.35106947       3.31969232       6.49839108      -2.53370481       0.48212080       1.37152672 
O       7.35362502       2.06918018       7.30852506      -4.09686627      -0.07719004      -1.93781108 
O       0.93535294       3.59312154       8.44325148       1.03837122       3.20179591      -0.13656170 
O       7.22072940       8.86368316       6.89659359      -3.89631200       0.93798369       0.30156275 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014550265587048567 0.0022112532938041484 -0.009545087571159246 0.0022112532938041484 -0.029995584285834563 -0.008856988103417968 -0.009545087571159246 -0.008856988103417968 -0.012527893553943938" pbc="T T T" energy=-1059.13217423 free_energy=-1059.1321753 config_type=crystal 
Hf       1.80380734       1.80310846       2.73588940       0.75953444      -2.69211169       0.35853162 
Hf       3.76244094       6.91939963      10.55264583      -0.70185074       1.62762509       1.17263062 
Hf       5.43505555       5.43427899       2.52630348       1.64431631      -1.79049584       1.47830849 
Hf       9.01691432       5.63268459       7.63372218       0.39131412      -1.16166835       1.61694020 
Hf      10.91027437       7.06498876       5.20227498      -1.50303685       1.20343260       0.38283967 
Hf      10.89093933       0.00994805      10.28452027       0.08568450       0.44374452      -0.69748463 
Hf       7.20292579       3.57038193       4.95179749       0.16729862      -1.73365815       3.42667456 
Hf       7.09982249       7.25235805       5.18078527       1.10634960      -5.32052642       4.51581203 
Hf       1.78041398       5.52080509       2.66443180       0.24885824       0.24454528      -0.96350028 
Hf       0.12501716       3.52777766       5.27794187      -4.80749509      -1.00853844      -2.19288745 
Hf       0.05608694       3.64173080      10.22731617      -0.96003196      -0.03453472       1.81521778 
Hf       1.88847378       5.58257579       8.16682999       0.90150167      -0.23973788      -1.64051465 
Hf       8.78981594       9.04404412       8.16240131       4.20101750       1.02053063      -2.35263388 
Hf       1.62276185       1.79369945       7.52930289      -0.73900082       0.21914839       2.93161425 
Hf       7.29774767       7.27550578       0.00041570      -0.41864445      -1.96346673       0.04853405 
Hf       8.82924998       8.96790463       2.77966143       2.31779477      -1.39978004       1.41461707 
Hf       4.93940983       8.84735598       2.72721539      -0.67605926      -1.07358392       0.60906231 
Hf       5.35493257       9.30502382       7.85934035      -0.30597237      -0.83459885      -1.45875678 
Hf      10.65870839       0.11658784       5.28389571      -0.37817104      -2.54455218       0.35676077 
Hf       3.48732296       3.60049263       5.13816808       0.59587829      -3.66069555       1.58632952 
Hf       0.03185775       7.28982012      10.57270021      -0.35161645      -1.80295556      -1.17389632 
Hf       1.76980616       9.21378050       7.82896639      -3.55275662      -3.11987154      -0.60625831 
Hf       7.08583387       3.48216049      10.59085496      -1.00735049       2.81098090      -0.60792058 
Hf       9.18650466       5.14734003       2.36611808      -1.11567869       5.14157716      -0.62126316 
Hf       3.69863067       6.82395008       5.46867056      -0.87257150       4.60490392      -1.88023999 
Hf       3.97216080      10.79324544      10.56266250      -3.99824204       3.14601100       1.19129296 
Hf       7.16516330      10.70989515       5.21582313       0.77211694      -0.00496712       0.15623609 
Hf       5.73682224       1.54252241       2.86599559      -5.04693985      -0.66278190      -1.34329482 
Hf       5.13676596       1.81852815       7.64570479      -0.15904870       1.25733177       1.39300034 
Hf       1.29589781       8.86990967       2.31911132       2.54088749       1.15796325       2.49022092 
Hf       3.37264640      10.76897341       4.98517680      -0.96512782      -3.32670712       0.90279373 
Hf       3.36011909       3.29415991       0.10324670       1.44341449       0.28066037      -2.36359205 
Hf       7.24620100       0.00420141      10.34907604       2.24231946       2.87308061       3.99826248 
Hf       9.20028829       1.83536764       2.30605073       2.41602204      -1.45986994       0.24011835 
Hf       5.64163925       5.19423325       7.96720238      -0.36708847       0.36570358       1.47818372 
Hf       8.81563617       2.05493596       7.81441827       2.61821056       0.24475028      -0.04334939 
O      10.46766720       8.32396124       1.48679738      -0.29849701       3.56551046       1.35402717 
O       5.05815578       7.04588982       3.66249628       1.90852698       0.32938552       0.69873109 
O      10.78560582       5.22916273       4.38185946       1.17415377       0.79670931      -0.81506999 
O      10.89358575       1.87047230       3.84048569      -0.77445015      -2.58659151       3.54504528 
O       2.08020202      10.71407268       3.23607749      -1.71916836      -0.70532503       0.33146741 
O       1.71408220      10.34508654       0.36520776      -0.56259421       0.53829586       0.45021357 
O       1.69236324       4.05845628       0.98962803       0.69920547      -0.63723645      -0.09322130 
O      10.92047659       1.92270251       9.50085155       0.65353172      -3.47113241      -1.20676286 
O       1.46461955       0.03039655       8.35384044      -0.52301018       0.30474484       2.71879945 
O       1.64134181       0.29631302       5.90788742      -1.63811400      -0.73176209      -0.85993032 
O      10.60635865       1.55116505       6.66739101       2.06096293       2.33355322       1.38756987 
O       1.77933712       3.51054025       3.71354556       0.87471703       2.53159336       0.91622107 
O       1.91793085       7.29322415       1.23231956      -1.38972737      -1.63522803      -1.67750081 
O       2.11068852       7.65927069       9.26199889       0.95758474      -1.65443358      -0.84678933 
O       0.28881068       1.95464385       1.57629675      -2.47860721      -0.17895752      -3.69269559 
O       3.67542367       5.36037167       6.76124412       0.69456253      -2.63329522       2.73184670 
O       3.36672446       1.70708328       6.76320209       2.29269266       0.04234826      -1.79026346 
O       5.20244181       3.49146148       8.90820529       1.51944331      -0.56103098       0.36539519 
O      10.92664055       5.91628251       1.86997092       0.71807311      -2.19406884      -0.24043395 
O       2.02730624       7.22131324       6.57119335      -2.09228248       0.17123040       0.18169554 
O      10.55493656       9.42875606       6.83023505       1.12431936       0.06486891       0.06660021 
O       3.46087966       1.48911739       4.11181132       1.18808573       4.53680869       0.44492955 
O       5.11118950      10.57183673       3.88460306       3.21950757       0.98692940      -0.76004314 
O       5.46829868      10.82305168       1.14766734       1.52575954       0.14649037       0.89938805 
O       3.39875323       1.81237209       1.55778922       0.79075071       0.02508719      -2.25144843 
O       3.49408303       1.66582058       9.21109172       0.97920257      -2.01783813       2.77741874 
O       5.78791982       0.29643058       9.09402891      -1.49293586       0.27630732      -0.99863894 
O       0.03374404       8.95114765       9.27548985      -1.48034295       0.80267591       1.81670216 
O       3.67483983       5.25348998       4.26713960      -1.23999825      -0.11856012      -1.75394833 
O       5.35936701       3.35989953       3.41211829      -0.03384180       1.58161977       3.36753653 
O       5.51474752       3.41647949       1.22905625      -0.77325839       0.62157746      -3.51564161 
O       9.02207460       7.26679565       6.23049351       0.25000037      -0.74066209       0.20112841 
O       3.62315380       5.18047152       9.67015929      -1.41506292       0.60040487      -0.06776350 
O       5.25533223       3.26057462       6.14565453      -0.42769580       1.64559053      -1.49138413 
O       0.62810375       5.42425633       9.66993066      -0.93833504       2.77232535       0.00567625 
O       8.76192602       0.32843491       6.26311519      -2.24009287      -1.02667476      -0.29170370 
O       1.60228421       3.56812948       6.41753160       2.85338126       0.75387420      -0.26904864 
O       7.29029090       1.71085598       1.86709684       0.74293878       0.13324625      -2.80072632 
O       9.15221972       0.31790576       1.01071586       1.50404576      -2.34062949      -1.47046725 
O       7.17213669       8.53989315       3.95089252      -0.78497506       5.89210437      -2.30580750 
O       7.09632807       1.62243230       4.29732957      -0.39117259       0.17165774       2.09275430 
O       3.48860086       9.43937626       6.92548120       1.47771284       1.54671183       1.30840181 
O       9.02633758       7.29259583       9.02784319      -0.32988490      -0.62272126      -1.23297891 
O       7.69192713       1.94871743       9.68128520      -0.44582198      -1.11136048      -1.21490665 
O       7.33939241       9.23494157       9.64577020      -0.83344118      -3.40630886      -2.87019028 
O       5.42636996       6.79306972       9.28425421       1.34556239       0.51791565      -1.97949860 
O       9.11553585       6.98811599       3.76831478      -0.61465612       0.06733320      -1.42176326 
O       5.17891993       7.69084928       6.47475654       1.69920357      -1.61352377       0.04523081 
O       7.63981886       8.72427682       1.31437746      -0.56199249       0.98096242       0.26497597 
O       9.05917698       6.42186981       0.53212154       1.01451556      -0.43614188       0.09351487 
O       7.39861704       5.03009626       9.14443014      -1.26374654       0.06848511       1.50317924 
O       4.52002379       9.24873682       9.72933582      -0.74443899      -3.06003027      -1.87563721 
O       9.04200893       0.02982070       9.14191479       0.01952385      -1.23029927      -1.96531067 
O       7.26907844       5.49685221       6.76200431      -2.34751613      -0.17448893      -1.81850523 
O       5.62414526       0.07028920       6.62363641       0.36701967      -0.79516544      -0.95444735 
O      10.92519501       5.56635565       6.96095038       1.37946229       0.86510264       0.27294537 
O      10.67997454       9.06327792       4.24638626       0.11572346       1.16537091      -1.35133220 
O       1.50998660       7.26462812       3.81192057       0.26803851      -0.86603847      -0.71905583 
O       3.66596689       8.63345871       4.50786530      -0.76348859       3.23448792      -1.10118397 
O       3.73951178       5.62977752       1.76221486      -4.31607197      -0.51360620      -2.05531412 
O       5.37092909       7.31153689       1.01597456      -0.25147600       2.17693973       1.10390254 
O       8.48383557      10.79185315       3.65029515       1.52691750      -0.60290816      -0.56156370 
O       9.48860869       3.83682505       8.78445493       0.96547208       0.02477221      -0.41211154 
O       7.03570589       5.96483676       1.58967398       2.71922975      -2.72358299       0.13589223 
O       8.84349530       3.51276640       0.88619128       2.45801271       0.83286131       0.74055452 
O       9.20897125       3.47982785       3.36108038      -2.28915031       1.18918853       2.51886778 
O       6.85625823       5.30387257       4.17788650       0.68085190       1.34854136       0.24604732 
O       3.29899896       9.02610717       1.74590392       1.90959313       0.90401886      -0.27097722 
O       9.22253598       3.56448694       6.18438480      -0.43796357       1.12011804      -1.04062621 
O       7.24331486       2.57616053       6.89490688      -1.52297499      -1.24851873       1.08272710 
O       2.07384755       3.48878668       8.84224352      -2.20436381       0.80537987       0.80921367 
O       7.24396948       8.75857151       6.85895503      -0.55694296       2.27094978       0.01941744 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004333958072945063 0.001339009583680476 -0.006372727854998795 0.001339009583680476 -0.0016723227546923897 -0.0014884207452791713 -0.006372727854998795 -0.0014884207452791713 0.0075596428650620846" pbc="T T T" energy=-1063.85174079 free_energy=-1063.85174251 config_type=crystal 
Hf       1.68470642       1.69763242       2.74857936       2.61168272       2.03331066      -1.61498279 
Hf       3.90757036       6.99867965      10.55346384      -2.76754145       2.61728783       0.34625347 
Hf       5.54316311       5.51219313       2.64412850      -1.65689100      -0.95898204       2.59918321 
Hf       8.69225813       5.59034819       7.60781910       2.27104722      -3.14652838       0.11301096 
Hf       0.04346815       7.01130841       5.16383648       1.83540528      -0.00688637       1.94976989 
Hf       0.11087680       0.06138614      10.27802808      -0.99095819       1.11297366       2.98515652 
Hf       7.19490446       3.54312515       5.03701157      -1.13232227       0.08993943       0.19428164 
Hf       7.12407052       7.20919788       5.37817993      -2.15142911       0.37690097      -1.99124573 
Hf       1.81304194       5.55311127       2.59616556       1.74600375      -2.41308821      -1.19156552 
Hf       0.06046474       3.48057680       5.34365237      -0.14364336       0.65404237      -0.06186964 
Hf      10.80653496       3.91678841      10.19291998       0.15652212      -1.96677914       1.87661999 
Hf       1.81150306       5.33948220       8.21457546       0.79253050       2.43121418      -4.06215327 
Hf       8.89085941       9.03710207       8.11198477       2.62643706      -0.12522894      -1.22796297 
Hf       1.67289355       1.74608018       7.57407819       3.61315376       0.54193126       1.65897869 
Hf       7.09697908       7.27755970       0.03332882       3.22748290       0.13771764      -0.27191324 
Hf       8.88476787       8.83540255       2.70296799       0.82261462       6.39919045      -0.74455276 
Hf       4.91933231       8.91604407       2.81463902       1.04314559       0.01541745      -0.83364792 
Hf       5.35521523       9.34184879       7.74216615      -1.18464445      -1.53815460       1.19627970 
Hf      10.77069449       0.04465501       5.19636377      -1.93165404      -3.05179547       0.59789711 
Hf       3.51692377       3.52705785       5.14633540      -0.72373444      -0.60599337      -1.85732690 
Hf       0.09223363       7.31689196      10.55395118      -2.38656123      -0.10050775      -0.70266077 
Hf       1.62037367       9.26694580       7.98112382       1.46602097      -4.57568833      -2.35555446 
Hf       7.06585133       3.57351962      10.62096416      -0.61744300      -1.52763595       0.97573624 
Hf       9.13238519       5.38586771       2.48974238      -1.21378184      -2.29979258      -0.45468322 
Hf       3.71590554       6.80506873       5.50667009      -2.43840249       0.80605787      -1.13867502 
Hf       4.00994990      10.86086730      10.53081451      -2.86986608      -2.05906217       2.96364384 
Hf       7.19940015      10.69632001       5.17904551       2.52108059       0.80774259      -1.89040722 
Hf       5.58064381       1.63216659       2.71666855      -0.19019450       1.47303546      -0.66036149 
Hf       5.11342968       1.72447988       7.65036199       0.37637864       0.58719715       0.71792304 
Hf       1.31839366       8.98249660       2.14855818       4.79464630       1.79032757       2.71388021 
Hf       3.55198450      10.63147846       5.02273693      -2.19773808       3.73750595       1.46088810 
Hf       3.44861957       3.33294284       0.03820403      -3.61505245      -1.23443237      -2.57224822 
Hf       7.49766925       0.02029369      10.51595782      -1.46772089      -0.09842885       0.26631682 
Hf       9.28395773       1.74739709       2.19494207      -1.29916650       1.04011586       1.67684014 
Hf       5.45207394       5.22175833       8.10613967      -1.73649845      -0.49882727       0.09938966 
Hf       8.84555810       1.99708521       7.82582786       0.54288634      -1.14980914      -0.80980275 
O      10.57142972       8.92200458       1.39931455      -1.62817154      -1.20391709      -0.83003765 
O       5.31864169       7.15246585       4.04862468      -0.24387395       0.70453597      -1.91821284 
O      10.74294667       5.16315118       4.38054784      -0.80958957       2.23158143      -0.67092641 
O      10.72135086       1.75846199       4.17949021       0.52996622       1.06875113      -1.26580353 
O       1.93326399      10.83075999       3.39558658       1.14856942      -0.40886471       0.14119317 
O       1.92140664      10.59575324       0.66431409      -3.04909753      -1.03491545      -0.96807500 
O       1.82430416       3.67842825       1.03794693      -0.77723247       0.29728389       0.37227490 
O      10.82523170       1.98589080       9.55578009      -1.29942461      -2.03446997       0.06362384 
O       1.32303133       0.06238040       8.70777700       0.08563718       0.40793248      -0.53821648 
O       1.69570011       0.25045504       5.91246905      -1.41562621      -0.65669917       0.08085902 
O      10.94828807       1.92119661       6.87636055      -4.12375075      -0.09592130      -1.60811742 
O       1.66641264       3.66400960       3.67151680      -0.47143205      -0.68629654       0.34375338 
O       1.74240258       7.11522739       0.99489268      -0.46825869       1.00357071       1.31757911 
O       1.58943195       7.60086973       9.11389759      -0.45325270       0.44956133      -0.94428190 
O       0.12237589       1.62975989       1.47758119       0.50799062      -0.83044367       0.00231758 
O       3.65011575       5.34186250       7.11220902       0.02003943       1.02245789      -1.45982111 
O       3.46408923       1.63415292       6.41269519       1.61823484       0.70099698       2.29084467 
O       5.41216551       3.35480597       8.83075496      -1.41493374       0.90985754      -0.47537221 
O       0.01983124       5.52624354       1.83220438      -0.58251667      -0.18305358      -0.27916203 
O       1.91725366       7.33908170       6.49140038       0.20599144       0.78733091      -1.04469872 
O      10.58474027       9.27104061       6.76726354       0.88915978      -0.17213781       0.07717136 
O       3.49919597       1.91997469       3.98791598       0.89405411      -1.87688547      -1.24997152 
O       5.48791595       0.01479783       3.85319989      -3.42107176      -2.98421552      -0.08136942 
O       5.60085883      10.63897225       1.25205921      -0.63006775       0.49518083      -0.43358541 
O       3.37917190       1.50463623       1.23717691       0.55424161       0.18548493       1.64991650 
O       3.55631004       1.38978766       9.38800515      -0.28155792       2.95099279      -2.59662787 
O       5.50234095      10.75421458       9.18982766       1.44217353       0.52276949      -1.68067323 
O      10.38032081       9.07140136       9.70208264       0.81843004       1.55351484      -1.87520728 
O       3.76880199       5.31727767       4.06647875      -0.64441840      -0.66818583       0.89725182 
O       5.59894558       3.54294832       3.51826628      -0.32682963       0.21560445      -1.97413107 
O       5.13490234       3.19417568       0.70412342       5.36019156       0.51493353       2.85139107 
O       8.99121001       6.69475956       5.94915610       0.11156408       1.01973634      -0.06750896 
O       3.66558135       5.20422315       9.58112367      -0.10698593       0.87460379      -0.16553617 
O       5.19135982       3.60633185       6.01042899       2.08851329      -1.09564528       1.98821718 
O       0.78997044       5.62301011       9.80721972      -2.28117551      -1.44738197       1.58219088 
O       8.69937088       0.45932701       6.27835133       2.23787316       0.88776220      -0.86398363 
O       1.89173067       3.59466393       6.30120591      -1.35989489      -0.30106871       0.82300514 
O       7.38708267       1.62610245       1.42598579      -1.50039915       0.43937097       1.07539967 
O       9.19160106       0.10086017       0.84395589       1.21547995       0.82768372      -0.23720629 
O       7.02168331       8.95948615       3.96287533       0.69539926      -0.78666374      -0.05062388 
O       7.02914654       1.64305631       4.30802809       0.04281897      -0.04950229      -0.13104951 
O       3.41375035       9.91907650       7.01091104       1.24264806      -1.25986758      -0.38603295 
O       9.22245173       7.01492641       8.71467405      -0.36109953       1.29033781      -0.10661853 
O       7.15465749       1.89095980       9.59898379       2.68471920      -1.66816288       0.01050480 
O       7.25509892       8.79789336       9.23744654      -0.42842188       1.13221688       0.82640072 
O       5.62910110       7.06951107       9.25918104      -1.82677153      -0.99943485       0.46009060 
O       9.17624579       7.20241644       3.44805175       0.86075374      -3.53149692       1.68530622 
O       5.30867721       7.39727361       6.53923131       0.62061033       2.05868586       1.16963595 
O       7.67517617       9.04763692       1.17795935      -0.59562706      -1.61106561      -1.27029274 
O       9.11838649       6.41297551       0.52825184      -1.33345448       1.32574080       0.85686262 
O       7.15152089       5.11374324       9.42665103       0.91771748       1.51337420      -1.52643128 
O       3.54184472       8.89278372       9.26438680       1.98246566       1.14688587       0.48783403 
O       8.89998849      10.95066903       8.62968988      -0.54708669       1.19898019       2.51512346 
O       6.74610375       5.41818736       6.57525458       2.71185008       0.46987381       1.19854515 
O       5.68065324      10.89626110       6.44783913      -1.82280338      -0.08762823       0.88386183 
O       0.18857905       5.57208465       6.99768644      -1.41954720      -0.06306136      -1.02260369 
O       0.21744636       9.25646671       3.82592906      -0.81463684      -1.80027149       2.29203899 
O       1.85031688       7.01335916       3.90110607      -1.85440278       0.35654132       0.05487572 
O       3.57948045       8.79020455       4.35249695       0.61049221       1.01890764       0.23034292 
O       3.64191398       5.67677164       1.41633870       1.51749251      -0.93048008       1.72808237 
O       5.50029042       7.53498582       1.31349281       0.89377769      -1.58818317      -0.47838039 
O       9.16394976      10.57116250       3.82026168      -1.49938901       0.73902138      -0.78086747 
O       9.57625154       3.96981808       8.55803576      -1.35137219      -0.08497577       0.45561850 
O       7.08752186       5.08910385       1.42760852      -0.34080738       1.51511105       0.45333418 
O       9.26353739       3.60178456       0.97236771      -0.79433985      -0.91108850      -0.19151319 
O       8.46067503       3.55943623       3.52609677       2.63146872       0.04521270      -2.99203059 
O       7.04924817       5.57615710       4.05831185       1.47763665       0.01867676       0.16706048 
O       3.30635032       8.75779539       1.48082271       3.27229638       0.60890957       1.44647128 
O       9.00675044       3.52816506       6.00364397       0.34366154       0.19223972       1.64063742 
O       7.00296137       2.12944607       7.19927956       0.38677278       0.79665256      -1.53385523 
O       1.45889526       3.56037625       8.93283460       2.48898616      -1.89169853      -1.18517386 
O       7.49135673       9.10631112       6.53903669      -0.69314768      -1.83298467       0.81422693 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.027381935506020836 0.0015577877542325954 -0.012413320648799221 0.0015577877542325954 -0.011282974508124842 -0.008171456417497116 -0.012413320648799221 -0.008171456417497116 -0.012689423803880287" pbc="T T T" energy=-1062.70439983 free_energy=-1062.70440613 config_type=crystal 
Hf       1.55235783       1.63340221       2.36146938       3.55995174       0.52397099       2.18064093 
Hf       3.56476424       7.41308268      10.16596940       0.12515122       0.42915434       1.08012492 
Hf       5.57729171       5.68785977       2.47714245      -5.83325508      -2.94980851       1.48848307 
Hf       9.24866330       5.30096353       7.55276269       0.42244102      -0.38131721       3.68560926 
Hf       0.25573167       7.44380353       5.32584465      -0.94527222      -0.16635811      -3.06654167 
Hf      10.78203735       0.00111083      10.45784430      -2.94646365       0.51445170      -1.83722198 
Hf       7.26700206       3.83220425       5.33945179      -2.49131736      -3.83306277      -0.85404178 
Hf       7.55359744       7.11612797       5.02080808      -2.86843875       6.70791908       1.87405263 
Hf       1.89897346       5.32699049       2.59263801      -2.00881329       1.48782918       3.47053563 
Hf      10.79841076       3.54063803       4.89724883       2.12098140       0.10188263       0.18444131 
Hf      10.90601621       3.83204188      10.36943472      -0.41049156      -2.17041529       0.78238714 
Hf       1.76289961       5.23148529       7.83288498       0.14847440       0.31451958      -0.23504369 
Hf       8.63157099       9.01045762       7.83935007       2.20167904      -1.74044157      -0.15945359 
Hf       1.62474073       1.89491656       7.96116309      -2.35540278      -3.54778842      -2.66326498 
Hf       7.22071143       6.96040136      10.52347593       1.44056708      -0.07593181      -0.30244754 
Hf       8.78547244       9.19890049       2.59000925       2.33150248       2.14019395       3.02370620 
Hf       5.21157199       9.06214814       2.54703981       2.42720922       2.70585008       2.29786910 
Hf       5.16699959       8.84921675       7.60357770      -1.92443693       1.06508073       1.83670759 
Hf      10.56135272      10.73185404       5.44504612       1.97503014       1.21588767      -2.01782236 
Hf       3.62085666       3.44114298       5.48967262       0.61751704      -0.30021222      -1.95067914 
Hf       0.17582485       7.32215972       0.11842513       0.18664707      -1.50362694      -1.98613276 
Hf       1.67064998       9.02475137       8.10804397      -0.23872098       2.63602783      -1.27852791 
Hf       7.15924126       3.19638550      10.56724625       2.44822224       1.48358437      -0.57051644 
Hf       9.18936100       5.64452254       2.49594568       2.16568705      -4.04580351      -1.73037839 
Hf       3.70717339       7.28478146       5.28583486      -0.92722225      -2.57025369      -0.68020251 
Hf       3.82373570      10.93035803       0.22335100       0.72932100       1.01227415      -1.28641407 
Hf       7.02900027       0.05669401       5.20172557       0.77412803       0.80611449      -1.42284491 
Hf       5.52550587       1.89429963       2.86436574      -3.82013949      -0.07396183       0.52264066 
Hf       5.10099615       1.41598368       7.97592390       0.10263883       1.43995371      -1.62890675 
Hf       1.33432182       9.00241636       2.36159491       1.86214382       1.50420733       3.34376222 
Hf       3.31754911      10.65811874       5.01923276       0.92591892       2.07288586      -0.62466251 
Hf       3.59928287       3.64201434      10.52629006      -0.16756540       0.57385055       2.90963002 
Hf       7.42312046      10.57947854      10.62125709      -2.13244944       0.67596624      -1.22386389 
Hf       9.01480639       2.01621175       2.50209434       0.24995122      -3.07247444       0.08743508 
Hf       5.56565151       5.21769946       8.00178468      -0.07294717      -1.03083084      -1.41950393 
Hf       8.97951602       1.45253169       7.90984840       1.81826105       0.85032466      -1.22126733 
O      10.55972849       8.71528271       1.51835446      -1.29914206       0.16015560       0.85130740 
O       5.66766709       7.34941627       3.45954935       0.29074311      -0.26390250       0.57200003 
O      10.77366104       5.62857225       3.96578406      -1.14634618      -1.41851998       1.09784080 
O      10.66858457       1.71603423       4.15101586       0.49268894      -1.71612113      -0.68731547 
O       2.22258215      10.67092630       3.07565272       0.33549966       1.88400815       0.68515459 
O       1.31317849      10.40964400       0.71218031       6.22469965       0.46593386       2.88152543 
O       1.81370149       2.98516313       0.87525882      -0.44032341       1.48201679      -1.07080677 
O      10.64112270       1.58745812       9.30303161       1.66178320       1.69284687       1.18061918 
O       1.87531091       0.11174189       8.63910016      -1.03802561      -2.56316781       0.95091635 
O       1.51833485      10.93543449       5.62225132       0.70360942       0.43535884       0.70532287 
O      10.79123184       1.63682881       6.88424418      -0.81751593      -0.79268872      -1.05078286 
O       1.70193101       3.43186675       3.58949546      -0.95776701       0.97394097      -0.37737992 
O       1.77634613       7.41292415       1.34689466       2.49134906      -2.62045032      -3.86756306 
O       1.82995055       7.31053913       9.10173812       0.37331580      -2.01483489      -0.91029941 
O      10.86526734       1.49984550       1.42325350      -3.52352304       0.32075967       0.08765997 
O       3.53031222       5.41046437       6.68818898       0.82040443      -1.00909604       1.97375951 
O       3.29964580       1.46909859       6.94017558       2.63164238       1.37003402      -0.45739790 
O       5.40565578       3.36966702       8.91111307       0.87330047       0.62539147       1.02951203 
O       0.23237698       5.20280851       1.36960532      -0.31314375       0.23801183      -0.70896028 
O       1.94752530       7.41516641       6.17534250       0.34628269      -0.00222327       2.97184253 
O      10.94752006       9.11332866       6.81476230       0.04320465       0.55672899       0.93902879 
O       3.73366281       1.87635578       4.21873790      -0.51222957       0.61702536       1.24977894 
O       5.13591128       0.06485426       3.69433120       1.36898463      -2.30452254      -0.29418017 
O       5.81676883      10.84222895       1.19336715      -1.31413740      -0.62060702       0.09747352 
O       3.67779225       1.41841394       1.54278404      -0.00182461       0.26954728       0.51027271 
O       3.52521669       1.95308525       9.68673819       1.33245370      -4.22041432      -2.23864143 
O       5.55938314      10.90101468       9.35084574      -0.78612492       0.92999902      -1.64391550 
O       0.38966789       9.00858316       9.75730753      -1.66143240       0.58527153      -1.76283185 
O       3.64257254       5.78778101       4.07378044      -0.20412967      -1.98646798      -0.72388465 
O       5.59851206       3.79849571       4.21998691      -1.65280264       1.42392454      -3.88109281 
O       5.58161144       3.79112780       0.92666896      -1.44858379      -0.23319339       0.33816313 
O       9.15995498       7.83279631       5.89533063      -0.25823108      -1.47691126       0.01853567 
O       3.19205207       5.29096432       9.45063962       1.90510106       1.23758613      -0.05048504 
O       5.39666485       3.32659000       6.46225450      -0.98102846       1.31889146       1.38072917 
O       0.20840032       5.41439900       9.25289186      -0.51247746       1.42256342       0.36133267 
O       8.78601881      10.71649790       6.33587005      -1.21898389       0.13689893       2.28992446 
O       1.61550438       3.48041279       6.26520750       0.41324490       1.30497900       1.09565591 
O       7.10054734       1.92768947       1.66044038       2.57086029       0.63036347      -2.64145404 
O       9.06270482      10.64627684       1.00227197       0.43434402       0.58318099       1.40724438 
O       7.19539474       9.16054277       4.39644606       0.02025870      -0.94405999      -0.46407343 
O       7.05612295       1.89765743       4.04245912       1.71041970       0.07269153       2.68487406 
O       3.38514445       9.29849634       6.87282077       0.28287296      -0.05543335      -2.41072457 
O       8.85556860       7.13159642       8.53967235       0.21065666      -0.85790728      -0.56337432 
O       7.96772646       1.54527653       9.55941319      -3.85815014       0.79142858       3.32337241 
O       7.34733113       8.81872094       9.70460884      -0.08594236       0.25805024      -0.49087763 
O       5.34131218       7.11783349       8.80295226      -0.78251790      -0.64235832       0.79769015 
O       8.69197689       7.26496786       3.21504621       0.72297823       4.24035639       1.83853712 
O       5.45683608       7.28346674       6.21364357      -0.18409602      -0.69011993      -0.04191283 
O       7.25234491       8.77091684       1.69220865      -3.27766859      -0.36797548      -2.62893876 
O       9.32064565       6.88254934       0.61234158      -3.39219212      -1.52887149       0.25180106 
O       7.33901738       5.16806615       9.54140022      -2.13663903       0.06796466      -0.38504448 
O       3.53487276       9.22103906       9.22906238       1.03081346      -1.47410998       1.49270155 
O       9.16290258      10.57776251       9.06983380      -0.64412100      -1.32901420      -1.91796714 
O       7.31683850       5.33238610       6.69049856      -1.01088933       1.36273068       1.40747073 
O       5.39230852      10.85475845       6.31104135      -1.66865113       0.01660468       2.09813730 
O       0.03740247       5.85069409       6.70894997      -0.25873210      -1.17177981       0.36020520 
O       0.25562714       9.27970877       4.05603373      -3.17265876       0.34764000       1.36054436 
O       1.53017226       7.23066561       3.65744772       0.16209088       0.06484938       0.07431922 
O       3.61887121       8.82504255       4.14871638       1.18638666       2.10464673      -1.56615135 
O       3.47910760       4.88940665       1.71787928       2.32672716      -0.02588510      -1.94060895 
O       5.08047140       6.94440834       0.75242308       1.78974208      -0.68013841       0.97282399 
O       8.53786662       0.10688465       3.73985755       2.78300011      -0.79344604      -2.17360856 
O       9.38063358       3.65607428       8.92204117      -0.60942541       0.97495344      -1.80381123 
O       7.19094562       5.88186676       1.65371775       3.65276065      -0.37161257      -1.92294810 
O       9.03880047       3.71301305       1.07644230      -0.88973667      -0.77397370      -1.47675687 
O       9.29736404       3.55491512       3.53646122      -1.41533461       2.84745621       0.19122422 
O       7.60637939       5.53144216       4.11363250      -0.33663134      -5.59284571      -1.21520947 
O       3.88413273       9.17466210       1.19651078      -2.20899065      -1.08034808      -0.89486676 
O       9.12832293       3.70149950       6.09007613       1.63405625       0.85828675       0.89863064 
O       7.22983142       1.88332260       6.80703428       0.62271516      -1.06923093       0.83014808 
O       1.68727626       3.42936276       9.01748810      -0.54483971       3.86338287       0.93479169 
O       6.91069213       8.82430379       7.01466914       3.68348652       1.42109198      -0.51949675 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.003103332457514787 0.005629025129262453 0.008079700553573326 0.005629025129262453 -0.01671153480983312 -0.0009545068253688501 0.008079700553573326 -0.0009545068253688501 5.9729594576293545e-05" pbc="T T T" energy=-1063.5774729 free_energy=-1063.57748003 config_type=crystal 
Hf       1.72106106       1.96908529       2.76822218      -0.79263972      -1.87416969       0.32454886 
Hf       3.63744075       7.10126517      10.19002113      -1.48535360       3.01182566       1.22262195 
Hf       5.36777596       5.02934117       2.50634807      -1.44370238       2.34512859      -2.35582533 
Hf       9.11636730       5.71913663       7.63927626      -1.47802622      -1.26637788       1.28335576 
Hf      10.80243961       7.17360698       4.99858284       1.72132185       1.35288613      -0.36723133 
Hf      10.76428183      10.93843238       0.08446356       3.38046213      -1.67945090      -2.81815878 
Hf       7.41239476       3.25689450       5.63696792      -0.62001318       1.73579479       0.83175456 
Hf       7.15677462       6.89120513       4.86647947       3.18870729      -2.52342268      -1.34068956 
Hf       2.01077451       5.63353170       2.02547903      -1.97522253      -1.99978495       3.36996800 
Hf      10.82684300       3.72660496       5.16664721      -3.02317375       0.27532752      -2.68440255 
Hf      10.80434179       3.64277907      10.35671064      -1.25919937       0.44399246       0.98507688 
Hf       1.49762220       5.43242425       7.68955664       1.29182611       1.34619097      -1.12689914 
Hf       8.85253368       9.18012542       7.60378220       3.22968127      -1.27102888       1.10598823 
Hf       1.69318626       1.51360295       8.25269392       0.62127101      -0.89130703      -0.70794869 
Hf       6.92023141       7.05110850      10.25914704       2.96884883       1.62984762       0.52656362 
Hf       9.12941447       9.23578529       2.73744347      -0.74302409      -6.11846972      -3.11510379 
Hf       5.40633286       8.97985204       2.47446659      -0.88675994       0.18628604      -0.22410275 
Hf       5.35475344       9.40565928       8.15817820       0.92082444       1.58973722       0.08848726 
Hf      10.77971445       0.01265867       5.23686260       0.04549061      -3.33716818       1.27934958 
Hf       3.12217777       3.39731262       5.46766463       4.25747838       0.54217834      -1.67187189 
Hf      10.92586311       7.21433854      10.52199446      -2.40027622       0.69154997       0.95046783 
Hf       1.81824330       9.14067735       7.89526180      -2.21938569       0.20956399      -0.11550647 
Hf       7.18667442       3.56562111      10.55420075       1.96625798      -0.42929782      -1.56595568 
Hf       9.15739029       5.72247974       2.46341520       0.01671690      -1.96559700      -1.26018781 
Hf       3.82163040       7.09960468       5.11743260      -3.73349732       0.22728794      -0.98558773 
Hf       3.32516506      10.64631507       0.36244890      -0.70341581       0.86980560      -0.39708809 
Hf       7.35724926      10.56786398       5.05666427      -3.45897860       1.19176657       1.30899876 
Hf       5.36868476       1.68227211       2.55435607       0.42271659      -2.51980353      -1.41118289 
Hf       5.24094952       1.76553760       7.70813911      -1.62120261       1.06720070       1.51823525 
Hf       1.72523124       9.08982442       2.75464491      -1.35187855      -1.20131857       0.36526723 
Hf       3.65286877      10.54152126       5.32055449       1.05756900       2.18052910      -1.01193557 
Hf       3.54619579       3.61900641      10.04560225      -0.18055080      -1.67469944       1.72806371 
Hf       7.38207655      10.80933926       0.11047804      -2.14159775       1.30480597      -0.19652297 
Hf       9.20764886       1.76622980       2.81113687      -1.05148978       2.03092262       0.36170958 
Hf       5.46694868       5.31829055       7.96392174       1.38872552      -1.15267039      -5.17963110 
Hf       9.04827182       1.68230771       8.01225627      -0.19928450       0.68492167       0.94350201 
O      10.71719645       8.66597611       1.81515706       2.08448862      -0.80176139      -0.17045263 
O       5.44921432       7.12149499       3.16731509      -1.66312723       0.48530911       1.27268681 
O      10.60862917       5.40016693       3.91970342      -0.15137489      -0.02760580       1.22461474 
O      10.88979629       1.62760386       4.17067249      -0.76279993       3.01380941      -1.27661983 
O       1.62500345      10.76184796       3.87203363      -0.27571358      -0.06569235       1.14336411 
O       1.21256582      10.65069222       1.44168015       2.72853104       0.52014411      -1.02552552 
O       1.66286509       3.66572137       0.89078864       1.85570210       0.29952432       0.44197096 
O      10.83469813       1.71758724       9.64056284       0.35778670      -0.05161361      -1.39281467 
O       1.89026749      10.77667833       9.33965064      -2.15522926       1.69187146      -0.01053045 
O       2.74535240      10.74853598       7.08781855      -1.03749046       1.98720553       0.15604488 
O       0.05524760       1.23691750       6.75535459       1.67107364       1.32132949       3.37167919 
O       1.51712936       3.70540970       3.81257404       1.60385645      -1.14592403      -0.95782137 
O       1.85689881       7.09780450       0.79135265       0.69854124       0.97144975      -2.19976681 
O       2.04324382       7.33703950       8.57291380       0.40140247      -3.97942768       1.08365994 
O       0.07017263       1.97160933       1.60251116      -2.47781318      -0.73150821       0.41629142 
O       3.30296295       5.62272613       6.44708043      -0.38155423      -1.23925211       0.94468137 
O       3.30408364       2.56666891       7.34169668       0.51095981      -0.30993232       0.36957248 
O       5.61092312       3.51307975       9.00408748      -2.06403251       0.81914818       0.89215787 
O      10.92471350       5.72495668       1.35296084       0.21985547      -1.18437251       0.00904163 
O       1.58004397       7.60473621       5.98329145       1.21541351      -0.22935098       0.91030469 
O       0.01621762       9.38617359       6.86959625      -0.28236158       0.63079103       1.35966957 
O       2.92768467       1.46941609       4.85303941       0.75672377       2.98008303      -0.50607939 
O       5.42215858      10.93145363       4.00217744       0.15900879      -0.65831824      -2.68054950 
O       5.21707366      10.94911174       1.00691823       1.26597144      -0.96203907      -0.53452484 
O       3.48692471       1.20883431       1.92438768      -1.97319491       1.83598249       1.25616788 
O       3.51396379       1.52009055       9.72505818      -0.34066468       2.62805564       0.14989734 
O       5.83489543       0.40632210       8.96127971      -0.47649713      -2.74630730       0.24437404 
O       0.50161027       8.96588522       9.90661107      -1.21483904       0.95070777      -0.95488243 
O       3.56597970       5.41428286       3.63527743       0.27454405       0.28176693      -0.24284936 
O       5.23779036       3.40109639       3.48487995       0.04880927      -1.91167335       2.07532498 
O       5.44749652       3.25093794       0.92977167      -1.07068300      -0.44741723       0.52946737 
O       8.83177578       7.44802323       6.41025679       0.32974411       0.01052780      -3.03652720 
O       3.92943481       5.49096796       9.05861382      -2.26045221      -2.20020716       0.19057971 
O       5.40397633       3.80193688       6.21198810      -0.41297847       0.32566406       0.67357950 
O      10.84970752       5.50690631       9.05316572       1.01050393       0.88509596       1.44479772 
O       8.78507123       0.04812083       6.38145943       2.69525203       0.77402843       0.11539547 
O       1.46271365       3.65992389       6.26457699      -2.01162847       1.42953186       3.19000311 
O       7.27880792       1.40717714       1.86691657       1.14191792       0.82128812       1.25494200 
O       9.25945814      10.62755457       1.14912851      -2.10538301       1.24262849       1.17093241 
O       7.10362027       8.65440022       4.15058942       0.02707711       4.91019654      -0.11628570 
O       7.79632696       1.60197975       4.79031163      -0.52519968      -1.12295448      -2.65643390 
O       4.09645640       8.86875414       6.52317652       0.78507657      -0.25552401       1.59521794 
O       8.86334747       7.33979088       8.69521979       0.19519029       1.18185058       2.49884948 
O       7.89414618       1.66732714      10.00652962       0.41072275       0.84100900      -0.61779603 
O       7.04927621       9.17006770       9.71720888      -0.47469843      -1.59945580      -1.25556250 
O       5.37329427       7.52527377       8.77441265       0.74274968      -3.31092888      -0.54295692 
O       8.97397195       7.24751758       3.70249746       0.81131028       0.35014047      -0.78689465 
O       5.58568685       6.97075588       5.85800764      -0.76143270      -1.28311824       2.93104833 
O       7.14023939       9.57387452       1.71404402       0.85757237      -1.61065927       1.50292633 
O       8.94586620       7.30118840       0.76279539      -1.47240645      -1.35012809       0.09794899 
O       7.24342585       5.37111337       8.85776112      -0.66247355       1.20753274       0.95841379 
O       3.60747938       9.14354914       9.61592322       1.42040701       0.07327791      -1.76712140 
O       9.27528233      10.60615717       8.90085746       0.28062478       1.67959774       2.05195830 
O       7.84357854       5.19256355       6.13793947      -1.13796604       1.08345198      -0.62835117 
O       5.46577409       0.63051057       6.20513941      -0.77564356      -2.08957684      -0.48689316 
O      10.81171901       5.71733645       6.52664997       0.75800716      -1.54997958      -0.24914340 
O      10.62254121       9.09835279       4.35545840       0.53307316      -0.97441091      -0.38028221 
O       1.47333144       7.12998107       3.54573374       0.44636874       0.16440161      -1.61325722 
O       3.40520237       8.97879062       4.17146584       0.79247042      -1.61227821      -1.60592844 
O       3.60239109       5.28476552       0.81961324       1.63237742      -0.27204424       0.40618707 
O       5.15796133       7.60484818       0.68411316       3.03837642      -0.60678904      -0.32567052 
O       9.08654321      10.67182185       3.89920528      -0.69725905       5.07496448       0.44938724 
O       9.17097529       3.64314609       8.90765311       0.34434628      -0.25191163       0.36053314 
O       6.83173793       5.40030290       0.83853244      -0.45184560       0.31669396      -0.73061008 
O       9.14081836       3.83453602       0.90120315      -1.50302490      -0.10536556       0.87826765 
O       9.00207858       3.61421173       3.80037185      -0.15539988      -1.48421565      -1.13732908 
O       7.08322886       5.54793795       3.20733402       2.90080800      -1.02696677       2.30684229 
O       3.42719358       8.83925358       1.53829882      -0.76693033       2.66982992       1.32177819 
O       9.33444539       3.28111953       6.52949451       0.41952902      -1.02352679      -0.96628208 
O       7.06064975       2.31222545       7.45191048       4.40917300       0.00917615      -1.18145317 
O       1.54821482       3.52707100       8.99338312       1.66796481       1.41968294      -0.78255557 
O       7.14971217       9.64155193       6.92768012      -4.74441222      -1.67938498      -0.17023138 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.002932073479922795 -0.003374864718285621 -0.0010710767450489564 -0.003374864718285621 -0.030389601207442614 -0.001998796966841872 -0.0010710767450489564 -0.001998796966841872 0.011671996861783192" pbc="T T T" energy=-1061.21291381 free_energy=-1061.2129271 config_type=crystal 
Hf       1.76988461       2.04112044       2.90879761      -2.63471044       1.12979848      -2.07899469 
Hf       3.66071283       7.21572086      10.19117204       2.18691026      -1.87970321      -0.89761595 
Hf       5.36122295       5.05402570       2.60969224      -1.82322758      -0.28943291      -1.32759596 
Hf       9.01194468       5.70214815       7.52782323       0.26257072      -1.50763054       1.86567555 
Hf      10.74347661       7.14883667       4.91188666       2.95453701      -1.07208574       1.56492372 
Hf      10.87739333      10.79162319      10.54874489      -2.23223275       0.63742007      -0.72462522 
Hf       7.41551020       3.12427848       5.60698893       0.15227980      -0.23553275      -1.61983576 
Hf       7.29561015       6.90512692       4.88270410      -3.28368636       0.19293296      -0.30534077 
Hf       2.09067870       5.61275277       2.16989398       0.51501847      -3.03167329      -1.45603512 
Hf      10.79716901       3.65418251       5.24015960       2.39482528       2.37640645      -1.89205538 
Hf      10.75307615       3.86184549      10.39354182       0.09828020      -0.37028676      -0.65783194 
Hf       1.52786164       5.52006447       7.70303793       1.89299317      -3.96982966      -1.30075859 
Hf       8.95347108       9.06713630       7.63865914       0.05396234       3.09218690       1.25070073 
Hf       1.62474566       1.51968715       8.18746226       5.03702513       4.54157164       2.50952486 
Hf       7.07487600       7.11490178      10.28963824      -1.28790120       1.21779824      -0.58778493 
Hf       9.15994414       9.15939206       2.74828271      -0.38636699       3.69114863      -2.85466917 
Hf       5.31544517       9.01489108       2.51464900       1.76226591      -1.58400636      -2.35856129 
Hf       5.36936140       9.43449394       8.13173091      -1.63499006      -4.57216698       2.67061057 
Hf      10.81256120       0.02106751       5.14677608      -0.87581619       0.62480218       2.70059774 
Hf       3.25483017       3.42472881       5.51554084       0.14207454       1.83695772      -0.09597143 
Hf      10.85135125       7.27367470      10.60867937      -0.36346480       0.24851599      -1.14082704 
Hf       1.86986655       9.14063013       7.77329669      -0.31747323      -0.62875141       1.18230897 
Hf       7.17159272       3.48101515      10.62220180      -1.76424041      -0.07088336       0.58845949 
Hf       9.11361461       5.63773925       2.45209882       1.56400318      -3.21297758      -0.98329268 
Hf       3.70489893       7.09064990       5.14444865       0.39231290      -1.11471784       0.71752295 
Hf       3.36358491      10.67761264       0.41422744       2.49668716       4.81355286      -5.37467999 
Hf       7.21687256      10.48338862       5.03680111       0.63667995       7.32576719       4.48246887 
Hf       5.24431718       1.59289459       2.58937204       1.71774918       1.03963879      -2.07430631 
Hf       5.24462592       1.78209661       7.77288545       1.73135250      -0.91146367       1.26796011 
Hf       1.68427881       9.10505863       2.65428387      -0.42089540      -0.94644245       1.94912204 
Hf       3.72487533      10.56858850       5.17806605      -1.21711923       1.43106293       1.20331466 
Hf       3.56353749       3.62399007      10.12752835      -0.93048964       0.04547444       4.26440331 
Hf       7.37635894      10.92456121       0.11228199      -1.00706625      -2.00764993       2.66604003 
Hf       9.13579645       1.83603190       2.70790643      -1.36987521      -1.45179488      -0.43060124 
Hf       5.51809556       5.23150019       7.96659387      -3.26158830       1.64159635      -2.33405616 
Hf       9.09643001       1.74806639       8.05322639       2.23325480      -1.10070747       1.50885272 
O      10.95325585       8.39439944       1.71210869      -1.60153584       1.43602826       0.12087510 
O       5.00033812       7.08383889       3.41322317       2.83247134       0.43325212      -0.71682953 
O      10.64204892       5.54340086       3.86538051      -0.29333659      -0.45408146       0.28350355 
O      10.68422952       2.00813674       4.26751321       1.55550989      -4.92065670       0.13375376 
O       1.48932687      10.69928350       4.01176894       1.16021511       0.19715480      -0.91188409 
O       1.55578717      10.45714253       1.05820326      -2.84767881       0.39269261       1.86138502 
O       2.07819741       3.58482884       1.29021403      -1.38026241       0.03177433       0.31766401 
O      10.52884681       1.75574819       9.52527858       2.41061772       0.28733537       1.28463685 
O       1.57616588      10.90463082       9.28696290       0.06815996      -1.32789525       0.04228305 
O       2.67766218       0.22030522       6.92303313       0.06047552      -3.25918487      -0.84911078 
O       0.43736034       1.28700154       6.89796463      -5.78311176      -2.22345734      -4.56616648 
O       1.77455132       3.68792699       4.00823076      -1.30636250       1.63934149       0.37010152 
O       1.89071340       7.12064929       0.40184720      -0.23243863       0.11975093       2.00510090 
O       1.79696258       7.10973109       8.55368488       1.94153632       5.22061228       1.14235716 
O      10.79876519       1.79235558       1.70686158       3.10224442       0.27870671      -1.42574096 
O       3.55330317       5.39023587       6.62850981      -0.95532242       0.11885245      -1.21671189 
O       3.50256177       2.37945947       7.38789690      -0.45783537       1.43020160      -1.85353359 
O       5.37777944       3.56612673       9.06864399       2.51862185      -1.78323012      -0.61326620 
O       0.09098191       5.64894614       1.33944181      -0.82047497      -1.69836039      -0.63991392 
O       1.69210808       7.33127829       6.01710018      -0.60103368       0.33733060      -0.37399018 
O      10.82824460       9.47822645       6.99769388       1.63187089      -1.12090772      -0.65346014 
O       2.91358057       1.72832018       4.51025682       2.05109696      -2.74295276       2.31641211 
O       5.13595094      10.74746054       3.58078064       0.50351997       0.82286135       1.67449915 
O       5.37760776      10.76499430       0.94618773      -1.03733520       0.49800323       0.87857209 
O       3.36302155       1.43759636       1.96243227       0.19861141      -2.43541071      -1.17149076 
O       3.39325748       1.71086168       9.81436697       0.08024403      -1.70408116      -0.13067110 
O       5.43250872       0.09428054       9.03301335       0.27619082       4.51101066      -0.80780160 
O       0.23101285       8.97103191       9.47916785      -0.80402228      -0.22771222       1.37226511 
O       3.63305025       5.30506107       3.72668620      -0.54976800      -0.24990439       0.49552343 
O       4.90415814       3.14742303       3.72433368       1.44388530       1.65822590       0.08736975 
O       5.17815488       3.17254470       0.96492634       1.66454739      -0.53382991       1.22891010 
O       8.88735042       7.28620673       6.00012173       1.58517434       2.10885634       2.59849681 
O       3.67182704       5.31084595       9.09710590       0.42298291       2.03163348      -0.97894550 
O       5.60579966       3.80006658       6.30013801      -0.09080732      -1.37523618       0.58553029 
O      10.92641803       5.63799989       9.27808981      -1.61579668      -0.68344400      -0.17512544 
O       8.95814930      10.91431494       6.64747141      -1.02039950       0.20108865      -1.63694897 
O       1.37174642       3.55613442       6.68439688       1.35025784      -0.05991591      -2.10344239 
O       7.22411031       1.58077726       1.89670434      -0.41838502       0.56632042      -2.89654559 
O       9.22825030      10.81652990       1.41507501       1.50930951      -0.23557263      -1.87430268 
O       7.03821975       9.02138470       4.01853526      -0.26165436      -4.72510584       0.18264929 
O       7.57848892       1.67752794       4.14581328      -2.13307134       0.72333161       3.96178473 
O       3.84837914       8.86632136       6.64566576      -0.79932256       0.89720753      -0.68294637 
O       8.88439581       7.54298009       8.86577177       0.79709028      -1.41302655      -0.75323544 
O       7.81213833       1.73426786       9.84719783      -1.15788279       1.33816899      -0.64220886 
O       6.83556618       9.14334415       9.76325658       0.08663384      -0.64484841      -1.58911765 
O       5.37508109       7.05252993       8.79413529      -0.45370581       2.11183139       0.68047651 
O       8.95078007       7.40820584       3.44736256      -0.23113998      -2.53229611       1.69627540 
O       5.67585649       7.06050206       6.10962148       0.24590107      -1.41328654      -1.62342832 
O       7.37435092       9.38799843       1.83715898      -0.91270235      -0.37724955      -0.93343851 
O       8.66915313       6.93558350       0.84473106       1.85264356      -0.08245640       0.20710609 
O       7.37614979       5.65925902       8.70364848      -0.46282383      -1.19741334      -0.26919810 
O       3.54822155       9.17103917       9.26859588      -1.16080888      -0.39634140       1.44121136 
O       8.84186166      10.59444597       9.44911776       3.10724458      -1.37285895      -2.97232048 
O       7.80635948       5.13885253       5.82966680       1.14645610      -0.18731863       2.34000694 
O       5.60586594       0.51857290       6.03768164      -2.40785294       0.12715990       0.07830304 
O      10.85370514       5.39545750       6.38595156      -1.95636448       2.99244189       1.71194300 
O      10.74717875       8.98592046       4.29853575      -0.15061672       1.62584338      -0.58991335 
O       1.71767061       7.09094780       3.37513117      -0.42994977       2.16511143       0.49703467 
O       3.50437586       8.87397862       4.01202765      -0.40834806       1.13694264       1.61669234 
O       3.75301746       5.39086934       0.92019887       0.34855930       1.81038969       2.11412913 
O       5.41335675       7.90725690       0.68144220      -1.78350173      -1.10807221       0.63866909 
O       9.13432594      10.94750023       3.96626120       0.16488304      -2.25477989       0.06241429 
O       9.07895793       3.80390063       8.84884509       0.86792406       0.34192978       0.50121200 
O       6.34464973       5.36243896       0.60726878       1.24552350       0.26474625       0.68047021 
O       8.82328620       3.93266814       0.95605963       1.17650464       0.47586846      -0.63404709 
O       9.33977745       3.62983006       3.32926279      -1.11087663       2.74288478       1.47895353 
O       7.36877815       5.46560690       3.49761297      -2.82482491      -0.76711693      -1.64012110 
O       3.41578904       9.29451197       1.69356321       1.11983956      -2.85791152       0.89033281 
O       9.46191363       3.05662320       6.49499989      -1.89685124       0.25262507      -0.60332631 
O       7.43590819       1.96948113       7.18396774      -4.82252890       0.48738717      -0.06971986 
O       1.72880060       3.81139771       9.16900417      -2.40986642      -0.87009548       0.47961505 
O       6.70109388       9.43360617       6.86500038       5.63797291      -0.58085508      -3.27363035 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0052165436141658125 -0.005726569524787313 0.00943326455634672 -0.005726569524787313 -0.008142603830709949 0.0033421250257205104 0.00943326455634672 0.0033421250257205104 0.026894007826980273" pbc="T T T" energy=-1062.53778163 free_energy=-1062.53778271 config_type=crystal 
Hf       1.59823279       1.52824214       2.78385659       1.98892319       8.14015640      -3.42473520 
Hf       3.57377631       7.30262637      10.61515530       0.54214398       0.29864999       0.46319759 
Hf       5.27518965       5.22442656       2.65550971      -1.04783141      -0.22597532       2.15261810 
Hf       9.28904723       5.72603551       7.78704477      -1.16731418       0.02024694       0.44312859 
Hf       0.25080508       6.98902588       5.25790100      -0.14395577       0.56762351       1.51769348 
Hf      10.94260246      10.74508561       0.04311197       0.52315884       0.22847237      -3.31112332 
Hf       7.43485006       3.32714153       5.05377935      -0.11575737       1.61233485       1.74941469 
Hf       7.29904540       7.29526975       5.44203067      -0.49806996      -1.19043749      -0.78289390 
Hf       1.58885851       5.39844750       2.58488043       1.17458053      -1.05592063      -0.15390546 
Hf      10.93940462       3.67040933       5.38778068       0.89610455      -0.12764165      -2.18638900 
Hf      10.72926470       3.47166015       0.04684477       1.44762033       1.59022299      -3.18270402 
Hf       2.06427868       5.28018055       7.69067279      -0.40628601       2.47099270       0.92560404 
Hf       9.02098875       9.20279272       7.82747504       3.75467383      -2.07194735      -1.00629417 
Hf       1.84448423       1.73949979       7.63115900      -2.03982970      -0.86731989       2.70317769 
Hf       7.27779339       7.20028868       0.01530300       1.32471121       1.35663580      -1.44475686 
Hf       8.96282751       9.06731269       2.91140459       0.28570324      -1.22266912      -0.32391142 
Hf       5.47198822       8.90396004       2.47169041      -1.90478553       1.75266157       1.99833438 
Hf       5.35106828       9.28349232       7.88946751       0.59763166      -0.68176625       0.24621923 
Hf      10.86582555      10.94165892       5.38912706      -1.93440402       0.95942123       0.23121761 
Hf       3.58995110       3.51892674       5.20334851       2.63538351       1.03965324      -3.26204584 
Hf      10.94512113       7.15517395      10.61915298      -2.94254223       0.08066596      -2.64036719 
Hf       1.87271302       9.25126020       8.12948670      -0.89778204      -0.90674747      -2.21400386 
Hf       7.22777597       3.74664162      10.16292186      -0.18124345      -2.20360992       2.06641401 
Hf       8.70351794       5.39117819       2.45149488       0.83823192       0.58131571       0.49655533 
Hf       3.62345060       7.09364845       5.25485398       0.91191073       0.22991144       0.48696033 
Hf       3.38555903       0.08626437      10.45174155       1.61546593       0.61134846       1.64044926 
Hf       6.99821687      10.81437168       5.32286077       1.36653805       2.73953675      -0.89431960 
Hf       5.34870627       1.72834636       2.22602871      -1.40616862      -1.50998137       1.77340883 
Hf       5.20552965       1.84956738       7.63660870       3.23892789      -0.00984716       1.14000979 
Hf       1.54856048       8.86759620       2.34295366       0.98478162       0.17470438       0.84370047 
Hf       3.48051709      10.57833901       5.03422220       0.76868865       1.66661438       0.22738231 
Hf       3.35421238       3.57146482      10.35332487       2.40085488      -1.97489285      -1.07973720 
Hf       7.11251019      10.69763659      10.56981677       0.41973274       1.49847753      -1.44548130 
Hf       9.11555283       1.77658618       2.28221084      -1.93166848      -1.72171040       2.10818286 
Hf       5.45970140       5.68268317       7.91472223       1.16140775      -1.20897660      -2.28634372 
Hf       8.85390833       1.60224773       8.25910225       0.62977016       0.11454535      -0.41173472 
O      10.56810118       8.78428295       1.49404742       2.35317638       2.19954057       0.85811636 
O       4.97674963       7.38388615       3.88667709       2.93765467      -0.24532418      -3.67073931 
O      10.74485323       5.33871999       4.11362920       0.72505050       1.43641638      -0.84817222 
O      10.70904880       1.76678954       4.15824294      -0.46632726       0.15699147      -1.98516336 
O       1.47956978       0.02330779       3.61771291      -1.13300925      -8.70738527       5.65279919 
O       1.61234730      10.51321173       1.22302450       0.67318887       1.22541989      -2.07012530 
O       1.94118441       4.10385411       0.84963517      -2.31871899      -0.59411200       0.06537763 
O      10.75727175       1.48745876       9.05108679      -0.19697989       0.71230461       1.44769606 
O       1.75798267       0.25288179       9.20026715      -0.29722333      -2.52322311      -0.51972689 
O       1.71674023      10.88174889       6.46620243       1.14779175      -0.07029412      -0.69900132 
O       0.22330694       1.97809999       6.44158045       0.57343370      -1.33594639       1.05886444 
O       1.69890080       3.61332156       3.45524556      -0.84165188      -1.35770189      -0.17763120 
O       1.61852681       7.07583641       1.01784441       1.27593326       1.34896110       0.15682243 
O       2.21267058       7.31976539       8.80697948       1.41745648      -0.57210117       2.28697196 
O       0.15626269       1.65289841       1.19595690       0.26888000       1.92174323       0.96799981 
O       3.87032905       5.42989078       6.46066174       2.77080957      -0.35612814       2.51399380 
O       3.52396070       2.65980609       7.00127840      -0.16094052      -1.64765292      -1.03820946 
O       6.11533769       3.48187366       8.55680173      -1.96902091       0.85248538      -0.65362539 
O      10.62651101       5.26615807       1.32937764      -0.31191073      -0.81832568       1.16517692 
O       2.04042309       6.94178438       6.45634924      -3.20843815       1.19839678      -2.59231878 
O      10.94412852       8.95533952       7.04025261       1.51032267       0.70926573      -1.17337521 
O       3.37417772       1.74159249       4.39365999      -2.15593931      -3.11825056       0.62537968 
O       5.49046300       0.11058997       3.63665559      -1.10642294      -1.46966507       0.39442810 
O       5.35706208      10.87523434       0.92064157      -0.27071377      -0.61392812       0.14368432 
O       3.35062955       1.40344059       1.62890339      -0.74336899       0.63036679      -1.52958629 
O       3.39364225       1.72184003       9.16475077       3.08309618       0.78481192       2.41994726 
O       5.50367429       0.19104251       9.05803646       0.68331145       0.23880637      -1.13300994 
O       0.46678969       9.08214120       9.50838506      -1.14021985      -1.04551728       2.80482400 
O       3.48417442       5.31590258       4.03463426       0.30714636       0.29143324      -1.04602204 
O       5.01805014       3.22838874       3.48244538       0.57903236       2.91729360      -1.58771867 
O       5.29716541       3.20585565       0.65491987      -1.87884039       1.66942772      -1.05289690 
O       9.23850315       7.26552278       6.09335730       0.42090074      -1.38174623       0.88375064 
O       3.82574207       4.94490350       9.04665429       0.83437922       2.05651184       0.52911090 
O       5.74355065       3.04287463       5.91343469      -3.67046751       0.72224830       1.26943239 
O       0.20358319       5.52461274       9.41359032      -0.77637467      -0.36943254      -0.24173103 
O       9.09008320      10.82030983       6.48168441       1.24807979       1.35372810      -0.72220013 
O       1.88805208       4.29321148       5.93621402      -1.48367124      -1.99786085      -0.17384482 
O       7.11044805       1.87582168       1.53907208       3.47592333      -1.38168310       1.02003557 
O       9.29254964       0.02113303       0.97759005      -3.40158787       0.97746209       2.55647119 
O       6.98874749       9.12959711       4.26479410       0.55430825      -2.22087402      -1.17802605 
O       7.27002187       1.55355028       4.31710982       1.33100437       0.46102369      -0.63514839 
O       3.46851150       8.94728007       6.54348833      -0.28510854       1.27092092      -0.03221676 
O       9.14585899       7.57196134       8.96075103       0.71021423      -3.30805086       0.38813945 
O       7.62476016       1.83350084       9.78743553       0.19025173      -2.86401476      -0.78366200 
O       7.03959505       9.07793081       9.28047241      -1.30410794      -0.66851064       2.10989904 
O       5.30862418       7.19692387       9.17430996      -0.40400633       0.05304581       0.42160322 
O       8.38373432       6.97808917       3.56055376       0.25570911       1.70743930      -0.52921573 
O       5.43259198       7.53810302       6.36700261      -0.11541254      -1.15440840       1.47697925 
O       7.32822244       9.14846992       1.33327508       0.56500586       0.02669770       1.44024148 
O       9.13523551       7.25113186       0.98328890      -3.46627490      -2.69648170      -0.69122763 
O       7.62100817       5.39475259       9.19059763      -0.81047467       3.36668897       0.98033901 
O       3.75717274       9.52207510       9.19659334      -0.95283877      -2.02149208       0.12523369 
O       9.00350549      10.52282364       9.11976044      -0.06757942       4.13287901       2.67190151 
O       7.29920942       5.63792331       6.70499280      -0.07612048       0.23748628       1.16288115 
O       5.15872693      10.78859736       6.38195601      -0.20099794       0.35176779      -0.04851439 
O       0.12277819       5.45939693       6.77925039      -2.32043926      -0.25582521       0.84417926 
O      10.65147108       8.51861934       4.13890677      -0.70835478       2.86284032      -0.94074191 
O       1.73932701       7.29507090       3.52286492       0.31545142      -2.47322304       2.24296431 
O       3.47063193       9.27578236       3.67013556      -0.78324622      -0.21523058       0.30300289 
O       3.65568501       5.86646054       1.45050487       0.50056346      -0.84042661      -0.58992488 
O       5.64917446       7.38800955       1.18855062      -0.44280389      -0.54411999      -0.75399291 
O       8.90937899      10.73396822       3.98862706       1.73787084      -0.74756824      -1.67845890 
O       9.24589889       3.58441054       9.11267526       0.44587199       0.61929766      -0.83429472 
O       6.94858258       5.30832048       1.19011606       1.57936725      -0.37866120       0.43901458 
O       9.04540518       3.10610313       0.88353403      -0.31402759       2.20922463       0.62271066 
O       8.68984617       3.71234276       3.54866501       1.77358209      -0.84227801      -2.92424042 
O       6.73494025       5.19963795       4.14789933      -0.51637792       0.28214868      -1.06881824 
O       3.60625078       8.92451679       1.31523948      -0.83317342      -1.28996760      -1.64210395 
O       9.18841505       3.62713477       6.20758855      -2.04439939       0.22641428       1.05186108 
O       7.11369607       1.38188587       7.02587370       1.54410120      -0.66593478       0.34813098 
O       2.02478756       3.49219509       8.55127284      -3.13843404       0.50379344       2.20397570 
O       7.40992834       8.85409556       6.96528967      -4.34205571       0.36350800      -3.45198611 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018261115709821748 0.0008320280689992703 -0.006094284683248325 0.0008320280689992703 -0.020584346090091195 -2.683282195101171e-05 -0.006094284683248325 -2.683282195101171e-05 0.006459663139281279" pbc="T T T" energy=-1059.68838719 free_energy=-1059.68838876 config_type=crystal 
Hf       1.65396158       1.78824084       2.61119486      -0.12062930       0.84246539      -0.66360873 
Hf       3.82619730       7.32023332      10.57302099      -5.88060824      -0.09895106      -2.16041103 
Hf       5.18807433       5.36955729       2.71093931       0.53874155      -0.82595310      -1.77557882 
Hf       9.05184830       5.52071010       8.21900913       2.71626818       1.36991497      -1.26343198 
Hf      10.83824163       7.19958213       5.36843346       2.58913653       1.17524836      -1.05901269 
Hf      10.66616548      10.59429084       0.15096794       1.74803967       0.58978286      -0.52965116 
Hf       7.42779035       3.75403626       5.27239524       2.18245617      -0.91853666      -2.57209507 
Hf       7.38563297       7.23187855       5.18755605      -1.77096577       2.10827693      -0.04957577 
Hf       1.68696807       5.26188972       2.42179469       1.14171584       3.76495343       0.28263112 
Hf      10.80726562       3.59430446       5.08913650       2.24238584       1.34392777      -0.20886614 
Hf      10.71559096       3.45297721      10.56458783       1.47488966       3.26715023       1.84665724 
Hf       1.79434344       5.32548875       7.60374128       4.04882803      -1.10459009       1.70760709 
Hf       9.33401219       8.98358562       7.68332316      -4.50913173       0.37158619       0.94911264 
Hf       1.66895169       1.53462215       8.12983469       3.28521029       0.74651308       0.37077201 
Hf       7.17572817       7.33960452      10.62083735       2.67607332       1.46039842       3.12098098 
Hf       9.05644773       9.11458914       2.98444835       0.55176406      -1.29105239      -2.22129011 
Hf       5.44322018       9.41788826       2.20942291       0.98629802      -2.39928593       0.63164536 
Hf       5.34366739       9.02169947       7.93709999       0.17306680       0.55218499      -2.36990762 
Hf      10.84340256       0.12450639       5.36183338       0.54234527      -2.20059813       1.76450018 
Hf       3.78582652       3.27650103       5.04525499      -1.75799921      -0.96609371       0.94765832 
Hf      10.75648138       6.98805003      10.54059850       1.52795163      -0.23556406       3.07727773 
Hf       1.81596686       8.90809221       7.91521520       1.51135568      -1.27940748      -0.08755321 
Hf       7.09197372       3.59847651      10.22698582       0.56512281      -1.09944081       2.60142709 
Hf       8.85567191       5.37212264       2.50856039       0.40762567       1.18736102      -1.60908492 
Hf       3.93330480       7.23180778       5.21704557      -0.58033882      -0.70738481       0.68663188 
Hf       3.39286142       0.14229456       0.20540043      -2.41300449      -1.24319873      -1.54692291 
Hf       7.17212891       0.10615466       5.22310463       0.92183478      -2.33345592       3.13836362 
Hf       5.29506219       1.59149540       2.41506738       1.97225683       1.80740944      -1.05635888 
Hf       5.52093207       1.77283353       7.64149464       0.28864026      -1.75198326      -0.30968495 
Hf       1.92116232       8.71298557       2.53289772      -1.33781711      -0.78470386      -0.21256067 
Hf       3.27108033      10.41636397       4.95253185       1.87038203       2.04485455       0.43832917 
Hf       3.56673314       3.73594484      10.33668985      -4.61273346      -0.36203372       0.11184941 
Hf       7.35118052      10.80285287      10.18390776      -1.49735655      -0.42628030       0.76541205 
Hf       8.71733171       1.60598986       2.77404177       0.83638189       4.50723259      -5.50732225 
Hf       5.69656212       5.47431024       7.72491985      -2.35178620       2.14871071       1.27050927 
Hf       9.10013840       1.68743162       7.95094331      -1.82516238      -0.84258233      -0.14774081 
O       0.01818838       9.08041475       2.05675837      -2.75056217       1.68103472      -0.59815632 
O       5.54484398       6.84402662       3.92744324       0.84897646       0.95328535       1.24277655 
O      10.53885523       5.50133497       4.50044211      -1.39947482      -3.33833289      -0.32126397 
O       0.43826651       1.73834711       4.17565133      -2.70471698      -0.39390228       2.55829297 
O       1.58887013      10.50128382       3.68891073       0.78912106      -0.91548035       0.71813332 
O       1.43180392       0.36807701       1.13212689      -0.31660291       0.09719567       0.55573864 
O       1.78902715       3.90141035       1.09268086       1.06111767      -2.95949880      -2.93637944 
O      10.33627846       1.92577567       9.59154870      -0.27693261      -3.07476390       0.84760593 
O       1.64404377      10.88151158       9.43994302      -1.44856141      -0.38183898      -2.42814180 
O       1.83680342      10.82165008       6.40681278      -0.06418079       0.87604869       0.30941161 
O      10.88350853       1.45192801       7.34961847       1.36758994      -0.16070316      -3.74899849 
O       1.44015776       3.86552901       3.70302785       0.83947472      -1.95981141       0.38893037 
O       1.82276100       7.40798825       0.80358014       0.02800318       0.08353891       0.84208165 
O       1.27908254       6.91214325       8.78954398       1.56203087       3.54029347       0.41210555 
O      10.65879264       2.67696143       1.70230758       0.48318776      -3.45588555       1.74836042 
O       4.12718984       5.48755111       6.63824618      -1.70009183      -0.05326721      -2.18368171 
O       3.79273701       1.93637220       6.61666357      -1.13469439       1.23238302       1.24630962 
O       5.69781253       3.76666097       8.57937517      -0.70813395      -1.27954084       0.50857429 
O      10.86364202       5.71362028       1.68004504      -1.76316931      -0.16224438      -0.20121315 
O       1.72474907       7.51192662       6.11907757       1.68714362      -1.62913236       1.39867826 
O       0.10513827       9.21101520       6.99697185       1.35922475       0.26943494       0.73016078 
O       3.15410476       1.54177291       4.21917570      -0.09040731       2.12032871       0.16496980 
O       4.47111128      10.85519089       3.15908187       1.55069255       0.93192637       1.28476902 
O       5.29045782       0.00154512       0.87037979       2.92013367       0.72913568      -1.14454347 
O       3.53251942       1.70878672       1.65389546      -2.64822987       0.17883964      -1.14000444 
O       3.46675318       1.61481350       9.41058657       1.54506076       1.46925283       0.13214519 
O       5.72798765      10.84001880       8.48069416      -0.16733071       2.40970658       0.74194951 
O      10.88668051       8.83456638      10.03314719       0.14002757       2.71428958      -1.50935384 
O       3.40391044       5.56684889       3.66302837      -0.04096534       0.12335784       2.55709474 
O       5.14705726       3.39816763       3.33850353      -1.16819685       0.54003791       1.06991989 
O       5.09875609       3.28224658       0.71663237       3.83033842       0.77112695      -0.39269553 
O       9.36041056       7.11746066       6.60594295      -4.51237051       0.45233268       1.12178592 
O       3.34155907       5.23681790       9.13405464       1.03299864       0.37436196       0.41998931 
O       5.70152913       3.34658152       5.83058472      -2.47764233      -0.25471274       1.66251537 
O      10.53922543       5.31171728       9.59588490      -0.84217296      -2.63863802       0.12510944 
O       9.11367169      10.94411493       6.57751069       0.34464301      -0.50242780      -1.04402013 
O       1.58171071       3.65450812       6.38125896       0.19938850      -0.28860834      -1.47618585 
O       7.26689962       1.87008304       1.30760009      -1.08083943      -0.11611766       0.97961819 
O       8.88474903       0.02407417       0.99662733       2.21569097       0.85808833       1.38377071 
O       6.79792498       9.35353194       3.93053979       2.39888087       0.50733451      -0.06183484 
O       7.06996618       1.67095971       3.96518289      -1.42174147       0.38272435       0.02298187 
O       3.55792747       8.90908844       6.60305633      -0.73118157       1.06438958       1.11078162 
O       9.14038066       7.25100006       9.25885898      -1.34014032       1.61172529      -1.28234304 
O       6.92908287       1.79872080       9.32861551       1.54171774      -1.02612555       1.04128966 
O       6.92621316       8.95117788       9.28914110       0.64301260      -0.53263277       1.51489624 
O       4.74716600       7.23991039       8.65719380       2.26598685      -1.98322661       0.54477722 
O       8.97329126       7.25026414       3.64037797      -1.59850880       0.35570827       2.43626841 
O       5.61845997       8.03468734       6.02866708      -0.21896398      -2.95938939       0.27852078 
O       7.42948809       9.22546277       1.30798763      -1.94844109       0.70084951       0.04362011 
O       8.79532550       7.29464339       1.31382104       1.24258557      -0.86641194      -2.02693043 
O       7.30118917       5.62899274       9.56163157      -1.24674557      -1.11928587      -2.35259562 
O       3.70325487       9.28410662       9.56480347      -0.50672733      -0.16453432      -2.21107659 
O       9.20003411      10.64504210       9.02658833      -1.39567384       0.33742377       1.37539585 
O       7.28213098       5.55704228       6.45715534       0.31244946      -0.31195686       1.08173379 
O       5.36306510       0.01244361       5.89919364      -0.94069735       0.23845221      -0.30664301 
O       0.05063907       5.64236597       7.23517582      -4.58779192      -1.22767468      -2.03840465 
O      10.08636082       9.16211310       4.87827213      -0.24627187       0.17217071      -2.03988462 
O       1.07300752       7.27415074       3.73290990       2.67138613       0.99148126      -2.71962134 
O       3.91692908       8.68133500       3.88453184      -2.53853001       0.73376643      -0.52524068 
O       3.61369494       5.63718706       1.21489013       1.51916646      -0.60555901      -0.22460074 
O       5.30853938       7.80538900       0.88255478       3.31791419       0.41843629       0.66544822 
O       9.11562690       0.37886670       4.14950335       0.65769721      -2.78503488      -0.60783571 
O       8.66223124       3.59356033       8.58296841      -0.93592973       0.80017809       1.52299112 
O       6.64191373       5.99590217       1.43766036       0.72909213      -2.35991710       0.42622286 
O       8.80037369       4.08639342       0.88011798      -1.37422280       0.44388992      -1.67898829 
O       9.00223065       3.50772347       3.47415402       0.23730734      -0.95003186       1.77326514 
O       7.20403684       5.19097351       3.92053354       1.04251495       0.34935559       0.04192844 
O       3.58055534       9.23703822       1.30273276      -2.46140548       0.03792490       1.31960479 
O       9.11121634       3.24046445       6.17761370       1.55790553       0.15818204       0.00055402 
O       7.41149406       1.57394049       6.82560155      -2.71349033       0.52149255      -1.14927559 
O       1.56012553       3.38008442       9.05547381      -0.33348898      -0.13670307      -0.05908858 
O       7.46212174       8.97764769       6.73627777       1.89686032      -0.10832196      -0.35241911 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.021236152717676707 0.006582323947989043 -0.008084712085944825 0.006582323947989043 -0.019899899272079056 -0.006331387113197851 -0.008084712085944825 -0.006331387113197851 0.005934666950296819" pbc="T T T" energy=-1061.31667548 free_energy=-1061.31676115 config_type=crystal 
Hf       1.63885961       1.82047964       2.52099005      -0.94496166       0.35597707       2.45400794 
Hf       3.68816747       7.32031232      10.52822135      -0.95891576       0.54513041      -2.57025900 
Hf       5.21750412       5.48852488       2.62869137       1.42320367      -1.41173558       1.65552555 
Hf       8.93701079       5.38805245       8.27374646       1.16503357       3.01650469      -1.97114401 
Hf      10.77738839       7.24937364       5.35373834      -0.75049171      -1.47077503      -0.40589856 
Hf      10.62741126      10.66292645       0.17798059       0.49209564       0.48269226      -0.51267498 
Hf       7.50980072       3.80578309       5.29591817      -1.29662471      -1.75962193      -0.55987787 
Hf       7.33762236       7.24706094       5.08426821      -1.50956788       1.21934053       5.05236230 
Hf       1.83014623       5.41417692       2.35205772       0.83658518      -0.94786770       1.37897611 
Hf      10.85383563       3.63158883       5.03251529       0.47199689      -0.64884231      -0.30511864 
Hf      10.76429531       3.43928495      10.53517516       0.85568873      -0.66743494       0.97527408 
Hf       1.78961571       5.25430269       7.54571130      -0.78798773       1.53130671       1.96065465 
Hf       9.28780997       8.97607879       7.63422111      -4.85796530      -0.85457862       3.37940543 
Hf       1.73841635       1.52713022       8.28274062       0.06947625       1.01787331      -1.42486316 
Hf       7.25314283       7.36406751       0.11009848       1.15536654       0.23192838      -0.26292774 
Hf       9.10670126       9.11248833       2.87554957      -1.53993563       0.14636187      -1.85471769 
Hf       5.48602878       9.49579013       2.16266424       1.36608710      -1.29218934      -0.01370702 
Hf       5.45674985       8.99314517       7.91221973      -1.96554494      -1.10812489      -1.20745804 
Hf      10.87606360      10.92266768       5.38650701       0.54353121      -0.26685947      -0.71079459 
Hf       3.65631345       3.29166731       5.13586148      -1.53219094       2.06639516       1.51514089 
Hf      10.70735040       7.00717910      10.60477428       1.28602158       1.93141408      -1.09779693 
Hf       1.80854877       8.79752919       7.87152820       1.47954088       2.81804937      -1.53771571 
Hf       7.03313178       3.52864976      10.37313446       0.52753002      -0.81106721      -0.73807717 
Hf       8.87007905       5.36971802       2.48532263       0.16424197       0.69776025       0.84930934 
Hf       4.01256094       7.08770471       5.20470626      -3.50198803       4.00748524       0.80764751 
Hf       3.30184062       0.14713645       0.26237686      -1.48190080      -1.20288176      -3.63816001 
Hf       7.26128774       0.15402350       5.36664566      -3.83209271      -2.59424326      -2.90147725 
Hf       5.36485651       1.60198873       2.39005065      -0.10799260       3.80402366      -0.88621895 
Hf       5.67870680       1.73147035       7.68858759      -4.48324664       1.45689051       0.16363804 
Hf       1.96071808       8.73393541       2.62323486      -2.58440593       1.38213094      -0.88464860 
Hf       3.28268317      10.51734225       4.98018585       0.84507093       1.42905249       1.29112149 
Hf       3.59548059       3.71163391      10.42707196      -0.04673116       0.88747131      -0.04531525 
Hf       7.33907074      10.81592053      10.15238225      -0.55886718       0.90291567       1.13961063 
Hf       8.58977297       1.65715394       2.80257415       0.53914590       0.96682441      -1.49983259 
Hf       5.61188583       5.35779395       7.63420761      -2.16803920      -0.87844144       1.13480953 
Hf       9.14561796       1.73661398       7.78742167       0.23871052      -1.19567552       1.21369971 
O      10.85336277       9.19966993       1.94308133       1.07159857       0.41054642      -0.28913499 
O       5.67778365       6.85641479       4.12742788      -1.80873978      -0.32514265      -2.77028335 
O      10.14799719       5.37249602       4.32768323       1.67178924       0.42672060      -0.19163461 
O       0.20356204       1.55506988       4.28801347       0.40610806       2.28634917      -1.29604809 
O       1.74351823      10.49722670       3.53730240      -0.73806627       1.04407582       0.38536578 
O       1.27319490       0.45856787       1.02029397       2.00059684      -0.35880677      -0.27175204 
O       2.10179608       3.43984075       1.19188855      -0.22856388       2.06067431       0.15526082 
O      10.56979925       1.75209360       9.39464966       1.02828685       1.07028666       0.75828695 
O       1.41371206      10.75525277       9.19952131       1.43075144       0.51199978      -0.67252372 
O       1.67348748      10.70284420       6.25313764       0.47277676       1.55282183      -0.30442438 
O      10.94522861       1.35223444       6.82909987      -0.68857911       1.09588297       2.59941654 
O       1.71234019       3.77269498       3.77074542      -0.83691032       1.33915914      -1.48139940 
O       1.90272195       7.47792062       0.82198585      -1.28090740      -2.04931945       0.81952366 
O       1.48768533       7.17515244       8.79150185      -1.08506964      -3.24098701       0.35558907 
O      10.85887440       2.48214272       1.73512398      -2.32622264       0.48629507      -0.66558498 
O       3.72398505       5.60010484       6.46345579      -0.95752710      -2.18304326       2.34656741 
O       3.39269588       2.25857962       6.94016027       0.33806952      -1.04150410       0.90682197 
O       5.30044432       3.54410549       8.77038861       0.73655840       0.25267263      -0.38039295 
O      10.90960758       5.51240173       1.39956273       0.53516967      -0.87478933       1.19144269 
O       1.73113773       7.52414146       6.06664801      -0.68301931      -2.44047858       0.40785232 
O       0.03496191       9.10841653       6.94142682      -0.26828268      -0.27728156      -1.47206316 
O       3.20271040       1.75593696       4.22202481      -0.45117153      -2.50798116      -0.92224045 
O       4.72362933      10.88688418       3.30406355       0.93010919      -0.31614904      -0.91950746 
O       5.61729436       0.16599293       0.69423239      -2.67563975      -1.25055226       1.81399826 
O       3.42093080       1.42192238       1.60313614       1.49208309       1.09623947       1.56755188 
O       3.33142740       1.85386071       9.65755904       0.04908396      -2.57019598      -0.29563509 
O       5.38605188       0.07546471       8.68008835       0.66654305      -1.13156627      -0.31797796 
O      10.77129378       8.97209519       9.98331525       0.28387241      -2.14567496      -0.49066394 
O       3.36757914       5.92247177       3.77097129       0.11425034      -1.80231809      -2.16688307 
O       4.95810789       3.64135906       3.30658369      -0.41265517       0.14476801       0.41021449 
O       5.40917430       3.23857541       0.76855376      -3.01795325       1.14847609      -0.20141834 
O       8.94217643       6.96558366       6.56728251       3.32829175       1.12532186      -0.97926104 
O       3.45109004       5.57542130       9.58954832      -0.61680068      -1.45097898      -1.81888474 
O       5.48094432       3.56903248       6.03458998       1.13452574       0.95858411      -0.09926721 
O      10.61710923       5.13715051       9.52402160      -0.73296624       2.53730631       0.30888059 
O       8.58754156      10.72627010       6.67104536       3.17196073       1.41159210       2.07394003 
O       1.54109452       3.86516001       6.21341164       0.52980747      -0.15282159       0.19202126 
O       7.13193595       1.94034343       1.34551512       2.31352953      -1.15119202       0.48000016 
O       9.16183536       0.16922145       1.55697737      -0.34358833      -1.06061591      -1.34055921 
O       7.06400919       9.33391501       3.82932386      -0.86781993       0.43738305      -0.39908137 
O       6.72381388       1.84189402       3.84051343       1.85584279      -0.96516046       1.44823532 
O       3.35314395       9.27932630       6.62183883       3.34402806      -1.69677461       0.43111731 
O       9.05077855       7.39692697       9.14431513      -0.43970859      -1.83271238       1.31354489 
O       7.34636437       1.69738131       9.18968651      -1.15272446      -0.12019253      -0.34277882 
O       6.87566722       9.11765157       9.40047233      -0.23385919      -2.07449920      -1.54024409 
O       5.29818531       6.97228501       8.64309964      -0.45057731       3.30481935       2.23151984 
O       8.69564814       7.34234812       3.90027212       3.99240095       0.06091365      -4.46559107 
O       5.46396668       7.60290470       6.39721681       0.87617439      -0.33913297      -0.15260770 
O       7.27935736       9.24873824       1.08573598       1.48215159       0.46064726       1.34947481 
O       9.12155267       7.42908173       1.35856923      -1.04626565      -1.72314537      -1.40186534 
O       7.02990677       5.44409359       9.31155671       1.12655202      -0.07409177       1.12620752 
O       3.39286701       8.98992422       9.09513953       3.02681708      -0.71351779       2.53386745 
O       9.17161710      10.73613828       9.06483997      -1.04879010      -0.51515616       0.93827975 
O       7.33066135       5.38835165       6.68728074       0.20072364      -1.77526386      -0.76100421 
O       5.17118752       0.09944827       5.77181623       1.62341940       0.14629297       1.53729977 
O      10.56173015       5.42872747       6.94540674       3.53661833      -0.88157615       0.02118914 
O      10.00497209       9.12490444       4.58209547       2.66742084      -0.22541295       2.03551189 
O       1.19076721       7.18085975       3.51207000      -1.43944551      -1.70779013       0.04874050 
O       3.44356601       8.75864558       3.99258466       1.58497062      -1.52470448      -0.13236782 
O       3.85809207       5.50084414       1.25962228      -1.90120534       0.51375579       0.07072101 
O       5.43274548       7.81069312       0.86091467      -1.74696948      -1.00250125       0.24040700 
O       8.91075244       0.33546176       4.27976090       0.15980776       0.26130624      -1.64253848 
O       8.74202346       3.53386120       8.94551925       0.94491546      -0.55793591      -0.83424590 
O       6.93988439       5.81996601       1.50021532      -0.29625452       0.89187290       0.05885718 
O       8.51266103       4.12889657       0.92124275       2.59486684      -0.39711523      -0.06985696 
O       8.93760384       3.39721588       3.65928643       0.56267513       0.32725260      -0.00404162 
O       7.48264605       5.29523990       3.99721997      -1.23189418      -0.75887325       0.33976998 
O       3.38632858       9.30073279       1.27329914       2.14279339       0.84051971      -0.02451178 
O       9.19030091       2.99849144       6.18817149       0.08053857       1.75654505      -0.15825607 
O       7.10770303       1.83002155       6.40112435       1.94476679       0.66683638       1.34207704 
O       1.73141700       3.58088194       9.33691655      -1.85027925       0.15383411      -2.60259669 
O       7.58959831       8.59588017       6.66693492      -3.18051059       2.84398014       0.04112006 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02265315634294893 0.002362312388574332 -0.0034452569200790076 0.002362312388574332 -0.018536319382298157 -0.0030804674003641536 -0.0034452569200790076 -0.0030804674003641536 -0.0036184108760151995" pbc="T T T" energy=-1058.93523684 free_energy=-1058.93524168 config_type=crystal 
Hf       1.56761570       1.90689246       2.51549103      -1.32218502      -0.68130129       2.65403388 
Hf       3.45725378       7.29836317      10.37839560       1.86496806      -3.12844462       0.71026768 
Hf       5.28553584       5.56262699       2.55082671       0.46140463       0.29905774       2.00661887 
Hf       8.87316864       5.32136974       8.26347757       1.32748263      -1.49780116       0.84691995 
Hf      10.70468360       7.19540241       5.27814531       3.00714291      -0.73484366      -1.40999906 
Hf      10.61187752      10.76127583       0.18233157       1.83425353      -0.08461488       1.26393948 
Hf       7.58026555       3.76722191       5.28008532      -2.66948163      -1.61851424       0.48815171 
Hf       7.26015215       7.33305129       5.05890741      -1.15337613       2.16445744      -2.31094206 
Hf       2.02790772       5.55112111       2.29334386      -4.81448791      -2.74523328       3.05630775 
Hf      10.93085127       3.67477771       4.96966527      -0.12384505      -0.39748958      -0.63759079 
Hf      10.84148789       3.45388820      10.54651758      -2.13640240       0.68532416       1.06054659 
Hf       1.73671554       5.21124233       7.59040869      -0.12337222       0.38927777      -0.23608624 
Hf       9.00551877       8.90698018       7.72944207       1.17627505       1.58280669       3.31697771 
Hf       1.82771246       1.60306702       8.41266122      -2.09635337      -0.05828876      -5.36979760 
Hf       7.35341938       7.42252062       0.21407444      -3.38983157      -0.90522027      -2.65938128 
Hf       9.11806340       9.13745256       2.65778995       0.97544683       2.22735854       2.53891565 
Hf       5.60645439       9.50311695       2.09713274      -0.29848014      -3.43852834       3.58365643 
Hf       5.52328148       8.90381126       7.86621147      -0.31855492       0.63556554       2.40402208 
Hf      10.93789477      10.77944866       5.38071878       0.30498767       3.90529829      -0.54130107 
Hf       3.40637948       3.36775158       5.29428587       5.57583425      -2.23083132      -1.81413398 
Hf      10.76195270       7.06781464       0.00393836       1.22809965       2.93902504       0.24369103 
Hf       1.88829114       8.73910741       7.77371791      -0.21174095      -3.35769725      -1.88688857 
Hf       7.02845412       3.43224167      10.53453593       2.16080331      -1.02713402      -1.57863503 
Hf       8.94364706       5.38912405       2.48730611       1.46268112      -1.04659811       0.02049054 
Hf       3.92773794       7.01107659       5.21675476       0.56590037       1.86460971       2.52788247 
Hf       3.16247350       0.08913462       0.20479234       3.46523263      -1.09317308       1.04746587 
Hf       7.25231313       0.10721092       5.44837151       0.21653389      -1.26925555      -1.14241194 
Hf       5.44552160       1.78627194       2.33670976      -2.70517806      -0.37355061       2.74149053 
Hf       5.66249959       1.72692044       7.75225148      -4.64788077      -0.18830338      -2.08499431 
Hf       1.86966649       8.78387188       2.66824166      -1.51974707       2.27585010       2.39397835 
Hf       3.37771837      10.71678713       5.03839621       0.26826295      -1.27974548       0.11622496 
Hf       3.58328667       3.73029636      10.49213249       0.79957724       0.27358796      -1.39237976 
Hf       7.22371688      10.81788450      10.17990753      -0.27362852       4.69921948       0.36091440 
Hf       8.55430971       1.77115507       2.77081002       4.12180629      -3.11370439      -1.43107159 
Hf       5.40439376       5.18908436       7.62883816       1.46488615      -2.66408521       2.91460747 
Hf       9.21064456       1.79065850       7.63390872       0.05215180       1.42541202       0.92378926 
O       0.20734515       9.26292418       1.65512024      -1.93488775      -0.69603002      -0.45209975 
O       5.62140440       7.33399472       3.86840063      -1.15785905      -1.26563989      -0.06462193 
O      10.43108314       5.42454557       4.13685229      -1.22101676       0.38756832       0.20570044 
O       0.13883969       1.76544896       4.09542300      -0.31657460      -0.09331602       0.55450558 
O       1.66782772      10.73376368       3.64222168       1.09214225      -1.69175803      -0.87695587 
O       1.49162270       0.43844893       0.89537155      -0.50323880      -0.23421150       0.44455685 
O       2.02950127       3.37120656       1.09573638      -0.00580238       1.18197371      -2.52620278 
O       0.19433654       1.56057100       9.65844061      -0.24102415      -0.28159296       0.00692626 
O       1.74049722      10.27576606       8.67468414       0.77907342       5.45146501       3.58052481 
O       1.73523516       0.06937482       6.19908046       3.31510371      -2.10582860       0.40235754 
O       0.01781380       1.33727347       6.89942176      -0.67857695       1.61376969       1.31860351 
O       1.82690938       3.72417502       3.52153736      -0.05060449       1.05256273      -1.13073187 
O       1.72101767       7.14452121       0.93565525       0.96424401       0.69035245      -0.37441366 
O       1.47240719       6.85169724       8.89149884       1.01287497       2.16210591       0.05015122 
O      10.46089135       2.19363092       1.51726541       1.65015234      -0.21358248       0.18576923 
O       3.67991344       5.20975757       6.75753885      -3.00899921       1.13363457      -1.31080315 
O       3.45873481       2.25972014       7.27089564      -0.74779277      -0.50046129      -1.33441395 
O       5.22423494       3.31071695       8.82275153      -0.81929810       2.74407266       2.83862470 
O       0.05983039       4.96230481       1.49838799       0.32141268       2.02070902       0.18170641 
O       1.66444461       6.73207525       6.27592589       0.29667747       3.35704751      -2.36621538 
O      10.92535749       8.94753940       6.75798336       0.42050698      -0.35880274       1.91152310 
O       3.19483304       1.52055059       4.35728255       0.73296008       3.04031418       0.25081497 
O       5.27752163      10.83200536       3.50381148      -0.96260353       1.55433999      -0.23680370 
O       5.33210191       0.06016739       0.91084801       0.98793123       0.32062707      -1.88470842 
O       3.49922566       1.38979544       1.83418063       1.18473975       0.06102726      -1.01082597 
O       3.24975382       1.74414502       9.70475658       0.89439830       0.03150463       2.17886496 
O       5.46282868      10.92580252       8.75772320      -0.22299860      -2.37791728       1.17600293 
O      10.71297346       8.85418244       9.62183539       0.07334694      -1.40234210       0.45558413 
O       3.52735399       5.92139776       3.75962568      -1.81584328      -1.19352418      -1.68356246 
O       4.74883865       3.77994117       3.54946590       1.37489521      -0.74389074      -1.63711275 
O       5.33797892       3.49344385       1.05424831      -0.81900426       0.37470729      -0.88575886 
O       8.96706310       7.49706163       6.38562036      -0.84274305      -1.95904772      -1.31371958 
O       3.50003016       5.40182611       9.25755777       0.79946573      -0.00499471       1.52021811 
O       5.37008734       3.85012476       6.05213570       2.41184015      -1.36291894       0.24738991 
O      10.34449579       5.60147949       9.62700959       1.05280669      -4.07565142      -0.65082936 
O       8.92796453      10.79394706       6.95280208      -0.46455479      -0.99766721      -1.23665675 
O       1.71830037       3.70145228       5.81921647      -3.00830589       1.47168966       4.21051172 
O       7.16822529       1.73460640       1.09039765       0.38771173      -1.05478471       2.84994697 
O       9.24603102       0.05487203       1.60631549      -0.84676960      -0.14739020       0.33142740 
O       7.11192525       9.27895401       3.83351137       1.81969480      -0.59309429       0.33549952 
O       6.97074043       1.80091584       4.16522364      -0.43142060       1.31877309      -2.45601990 
O       3.97478596       9.03010162       6.61270395      -1.74607467      -0.63513665       0.57895384 
O       8.62768467       7.11613827       9.13243234      -0.43046630       1.55681305      -0.72581500 
O       7.13503901       1.69053359       8.91521575       4.33603359      -0.45403676       6.29407790 
O       7.30279027       9.22294037       9.33086259      -0.47361654      -3.49159416      -2.42792592 
O       5.79251630       7.33103506       9.23755772      -0.58727917      -0.99154789      -1.16782720 
O       8.81392670       7.32035493       3.40280229       0.15272225      -0.18909363       3.31868363 
O       5.68131586       6.67868141       6.42385564       0.70109952       3.34157799      -1.47958798 
O       7.63486674       9.21526744       1.31770285      -2.76286285      -0.26903412      -2.10217673 
O       8.99398363       7.02939239       1.20141277       3.64748973       0.68956881      -1.63642260 
O       7.13782052       4.92728121       9.44341254       0.31165411       3.11258303      -1.64879104 
O       3.74049716       8.64865676       9.11649117      -1.62297045       1.59252990      -0.28436908 
O       9.20789855      10.58512724       9.61178748      -3.84094197       2.25595822      -2.66459279 
O       7.52519072       4.89907357       6.93470706      -1.64251006       0.85437331      -0.94059770 
O       5.53827586       0.43152945       6.26859220      -3.68747811      -1.42317388      -2.29249864 
O      10.80410404       5.02300740       6.69255400      -0.31434720       2.66286473       1.81260931 
O      10.85835202       9.15709908       4.42427172      -1.97477455      -3.81656759      -2.30603092 
O       0.92797550       7.18257063       3.38870781       1.98525522      -1.14183358      -0.05381067 
O       3.48512748       8.65732843       4.29073003      -2.45981990       1.67695048      -1.67657623 
O       3.67115324       5.52115218       1.28043832       1.33344251      -0.64246592      -2.05459600 
O       5.31837218       7.52418814       1.15922425      -0.06142728       0.85798063      -0.59430704 
O       8.93201573       0.09361376       4.16738261       0.77295120       0.60522472      -0.68532499 
O       9.18299534       3.31172512       9.03043326       0.80250599       0.47739109      -0.28594402 
O       7.02008187       5.79309993       1.56537056       0.27693855      -1.33515177      -0.05913964 
O       8.86220333       3.91078014       0.84457694      -2.11813303       0.55935834       0.79026883 
O       8.94395426       3.41278984       3.70733929      -0.28243520       1.99999293      -0.65658470 
O       7.23694910       5.50484253       4.18259015       1.02506248      -2.07785461       0.09897091 
O       3.51592239       9.27566119       1.60743642      -0.42979263       0.40280824      -1.99151487 
O       9.33659353       3.40389598       6.17885357      -1.41083725      -2.69806739       0.61105001 
O       7.34609956       1.81324484       6.71429487       2.79815956       1.65185410      -2.98311711 
O       1.31189609       3.69699669       8.80048048       0.45942734      -1.96832890       1.78609035 
O       6.93417215       9.25509437       6.45044291       1.19458265      -2.33848568       0.84994607 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003976896683724222 -0.004401263561366281 0.012070461719971693 -0.004401263561366281 -0.014552681756370815 0.006900511508200383 0.012070461719971693 0.006900511508200383 -0.0110260960250307" pbc="T T T" energy=-1063.31014868 free_energy=-1063.31015069 config_type=crystal 
Hf       1.87245534       1.83789113       2.48457105      -0.08554392       1.98125735       1.23206208 
Hf       3.22358026       7.03880162       0.21107685       3.12581077       1.79145143      -0.28285567 
Hf       5.58831114       5.43160748       2.39944711       0.10478769       2.07966278       0.93022507 
Hf       9.09458195       5.48853660       7.69856525      -2.60750822       0.64111034       1.41365638 
Hf       0.00988823       7.35734842       5.41864230      -2.89727281      -0.04681823      -1.47284044 
Hf      10.86598945      10.82580394       0.15360903      -2.13570078      -1.97579003       0.06106991 
Hf       7.18473675       3.43996148       4.77633513      -1.59813169       0.62006240       1.37868160 
Hf       7.15568735       7.23024863       5.22359229       0.28552887       1.77736219      -1.68697125 
Hf       1.87789477       5.42072466       2.73717657      -1.95985160       0.62820798       0.97745022 
Hf      10.77712774       3.90494092       5.25006445       2.10782634      -4.86209435       3.04204727 
Hf      10.94607178       3.22771133      10.48322443       0.13850679       2.21012461      -1.33678425 
Hf       1.86475459       5.33265266       7.73128354       3.42371303      -2.97327677      -0.62355732 
Hf       9.27173916       9.10680830       7.99686463      -4.65003845      -0.16056830       0.70836028 
Hf       1.48374325       1.84929655       7.83073867       0.43731242       0.35591038      -2.23173010 
Hf       7.25456974       7.52680531      10.55077056      -0.13816025       0.34177419      -2.36284419 
Hf       9.05395338       9.07951526       2.79245279       0.19032026      -0.02338171      -1.52733013 
Hf       5.51363516       9.11323958       2.44703410      -0.95517111      -1.96203583       1.47858634 
Hf       5.25751664       8.81661027       7.61403292       1.57411376       2.15328333      -0.64070054 
Hf      10.79015914       0.08051685       4.94260107      -3.39518135      -0.00857023       0.15572697 
Hf       3.86574747       3.47536492       5.12080848      -1.66690644      -1.46866591       1.57034255 
Hf      10.69288377       6.72507415      10.48424567       0.34156551       1.30784008       0.96336187 
Hf       1.65136676       8.91489161       8.29258105       0.51663789      -0.43265270      -0.04903233 
Hf       7.23340987       3.61327741      10.50663778       4.93029898      -0.02932172      -2.37172472 
Hf       9.02969910       5.41649356       2.57778685       0.68017986       4.23041382      -1.11151536 
Hf       3.33401718       7.06527274       5.18308506       6.47721864       0.47799200      -1.34417034 
Hf       3.42070642      10.90670830      10.14105949       3.38127238      -0.74407508      -0.07206694 
Hf       6.81129743      10.87794650       5.46893097       2.92720236      -2.48221694      -2.27393938 
Hf       5.32525276       1.71773328       2.39959613       1.01654166      -3.18370625       0.93705400 
Hf       5.36328487       1.62895101       8.01015959      -0.94122476      -0.57494096      -2.01513300 
Hf       2.14207121       9.51011093       2.55478463      -2.31921988      -5.91048481      -0.98071765 
Hf       3.19521671      10.73079821       5.17168334       4.31062558       1.27116131       0.42384277 
Hf       3.67591056       3.69010000      10.58257859      -2.23912301      -2.59889023       0.10942919 
Hf       7.11773314       0.09495609      10.60770650      -0.72544866      -4.35707165       1.05834256 
Hf       9.19107977       1.86191359       2.60493342      -1.56087462      -2.31615261      -1.69204052 
Hf       5.62166921       5.32515164       8.02825153       0.40091791       0.41412379      -2.32749173 
Hf       8.77056538       1.53049557       7.82847629       1.39683713       0.56817274      -0.15452691 
O       0.25055386       9.37782315       1.97288036      -1.58178025       0.24322771      -1.82865408 
O       5.47136494       7.11759104       3.48227351      -0.50051337       1.08354024      -0.96985184 
O      10.64769882       5.22092677       3.97469319       1.15298282       3.06066628      -1.80107585 
O      10.60478603       2.15587687       4.23819694      -0.05152281      -1.69528110      -0.60297810 
O       1.84193959       0.14155174       3.63761581      -1.02848482       0.42359427       0.55530331 
O       2.15359441      10.72619516       0.97684358      -0.90196879       2.26303449      -0.57818208 
O       1.76639907       3.05019269       0.73999055      -0.10621010       0.84106009       0.42696277 
O       0.27060389       1.46450616       9.46687754       0.45633803       1.14134500       2.25979285 
O       1.86317068      10.84174207       8.53184409       1.62501382       0.84510387       1.39615097 
O       1.50034006       0.32232935       5.99311839      -0.50840208       0.03502996       1.65948321 
O      10.57644910       2.14425825       6.98466687       0.63277186       0.06030550       0.03630033 
O       2.19456294       3.47544117       3.56557405      -2.98915994       0.08550740      -0.60216083 
O       1.58984291       6.95331272       1.14865764      -0.62237854       1.49237963      -1.28886562 
O       1.35998943       6.94425342       8.82989560       0.91288234      -0.38523554       1.65950120 
O      10.91155479       1.37939688       1.79866648       1.64032515      -0.13386344      -2.05893947 
O       3.88213896       5.33148475       6.86686800      -2.11261462       1.49851660      -0.08321409 
O       3.75067660       1.77002780       6.70748253      -0.33139943      -0.26669939       0.52845343 
O       5.78688601       3.42891093       8.78084117      -0.55916069       0.93758621       0.78282332 
O       0.23194970       5.19721591       1.34720332      -2.56998605      -1.07835986       0.71310761 
O       1.74793799       6.55775686       5.96480465      -2.23771497      -0.64708406       3.57999468 
O       0.01131262       8.56551157       7.17038112       2.45297407      -0.44276822      -2.94525808 
O       3.84290081       1.61938861       3.88837508      -0.63478336      -0.06524226       4.11046864 
O       5.08572206      10.50448440       3.82066888      -0.02034498       0.36117981      -0.42975599 
O       5.20619665      10.84269162       0.96547682      -0.23879802       0.31436047       1.32864763 
O       3.58198871       2.15583085       1.76004325       1.86602229       0.50662755      -4.40421017 
O       3.70700555       1.85260504       9.55721979       0.97235899      -0.29802729      -0.74449599 
O       5.52245485      10.25500981       9.25289536      -2.56206064       1.72671540      -0.97831206 
O      10.71886154       9.07529381       9.57066973       2.85654506      -0.62657356       2.35880894 
O       3.61015089       5.13652109       4.05752892       1.16652484       3.19505109       1.13081981 
O       5.53701471       3.44320895       3.24615336       1.06157211       3.36016568       2.02857603 
O       5.54109845       3.45085580       0.67400827      -3.82376088       0.97645035       1.53798349 
O       8.98678006       7.28806716       6.11921585       3.12636286      -1.24941664       1.93311298 
O       3.73930866       5.29989214       9.39927423      -0.17135565       1.41132932       1.20679451 
O       5.66957190       3.82113946       6.29774107       0.13633909      -1.74958110      -3.06446963 
O      10.38395810       5.05763022       9.54665180       0.70715503      -1.31311187      -1.08870236 
O       9.00433114      10.82598635       6.01196531       1.69512935       0.45941205       0.92031181 
O       1.97583320       3.58836335       6.22589285      -0.98684449      -0.00025827      -0.18990510 
O       7.10818268       1.72915645       1.32671720       1.65128839      -0.05475785      -0.01669366 
O       8.96479674      10.70872516       0.91683161       1.50071988       0.84369233      -0.50849254 
O       7.21689261       9.25707050       4.25209935       1.27213921      -1.21225435      -1.55886850 
O       7.01618712       1.42363020       4.07206524       0.56518436       2.16236409      -0.58752426 
O       3.24361594       8.81346217       6.90752467      -1.28492969       0.01723157       0.20943705 
O       9.27083233       7.09423295       9.03092741      -0.60351546       0.75488632      -2.56954261 
O       7.01283459       1.34848267       9.21220936       1.43978352       1.22915073      -0.59008243 
O       7.80380290       9.29430600       9.52434695      -0.13419875      -1.27094620       1.90050986 
O       5.74624944       7.46741075       8.82476275       0.11959255      -3.12275850       1.52934164 
O       9.06399916       7.27265328       3.60611390      -0.06683992      -1.21845960      -0.38934880 
O       5.37445112       7.62820276       5.91438832      -2.38584053       0.34154261       1.00449673 
O       7.25129017       8.93441915       1.52212658       0.13023576       0.57290702       0.14542725 
O       8.95288209       7.22072710       0.95661797       2.62902547      -0.85897457       0.70126539 
O       7.37993903       5.44360046       9.13409025       0.08963937      -0.75272806       1.33690730 
O       3.21621301       8.95436531       9.86467212      -1.55863150      -2.25815073      -1.72691148 
O       9.64254180      10.93403443       8.74196688      -1.69848174       1.01200702      -0.51570421 
O       7.07373373       5.78966183       6.54949233       0.70230041      -0.98384267       3.22424471 
O       5.33116287      10.66273691       6.62074203      -3.35805854       0.77746396       0.28197916 
O       0.08576620       5.17841804       6.82402399      -3.28431840       0.94168170       1.16520064 
O      10.83043800       8.90879909       4.29736645       0.28898145       2.73594092       1.47168856 
O       1.97791714       7.24751243       3.75260980      -3.13955233      -3.45071791      -2.83461612 
O       3.11142304       8.89246687       4.23880662       1.59913851       3.94809507       2.41902071 
O       3.44016340       5.35641020       1.59449987       2.92480383      -0.96885209      -2.61621558 
O       5.46418766       7.13598276       0.89874913       0.40026947      -1.77695322      -0.73060083 
O       9.29405774      10.91537537       3.46100031       0.60390187       1.08430229       0.35839755 
O       8.78750795       3.17235790       9.05320515       0.21224553      -0.38893163      -2.17441228 
O       7.46060642       5.19807508       1.18812206      -1.37796443      -0.03263602       1.07465631 
O       9.28550954       3.15868503       0.80873595      -1.61066705      -0.65366043       1.48104897 
O       8.63672995       3.65705167       3.12934586      -1.39654908      -1.70658941       2.19433375 
O       7.18822218       5.58775184       4.00400403       0.42239020      -3.25195326      -1.97510697 
O       3.67622138       8.46568455       1.68554682      -0.24576269       1.04036674       0.43664751 
O       8.84320519       3.96386491       5.71889954       0.30231641       0.10391152       1.69793699 
O       7.07712472       1.55764553       6.64841133       0.30469660       1.55905725       1.17286067 
O       1.81172766       3.49987952       8.93313210      -0.57151182       1.79632903      -0.78812729 
O       7.29180163       9.09079709       7.02631352      -0.21269757       0.05308191      -0.57311650 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012733653952466912 -0.0023978553987897516 0.002519346005676031 -0.0023978553987897516 0.019992684242269028 -0.0029990309043460986 0.002519346005676031 -0.0029990309043460986 -0.012376606019939748" pbc="T T T" energy=-1063.46349809 free_energy=-1063.46350074 config_type=crystal 
Hf       1.92952208       1.71089170       2.68961998      -2.73770525      -1.11829778       1.32934512 
Hf       3.75194399       7.41590977      10.38761892       2.48758602      -1.89910677       0.41862016 
Hf       5.42471648       5.31064458       2.52421510      -1.42027136      -0.12270941       1.89815571 
Hf       9.23797233       5.08724330       8.20965147      -4.88012058       2.04467091      -2.11616847 
Hf      10.40340346       7.14669762       5.30221181       3.12070588      -0.24110949      -0.07018136 
Hf      10.95085068       0.06458650      10.48716248      -1.90905104      -0.35803330       0.98619799 
Hf       7.33504244       3.28881919       5.62388574       1.85457707       2.95743053      -3.83933352 
Hf       7.15752686       7.25621511       5.24104000      -0.25450157      -0.48240399      -3.17441289 
Hf       1.63948805       5.43456812       2.49271914      -0.70398352      -0.73288904       0.91549062 
Hf      10.87815225       3.42682907       5.34303334       3.53638775      -0.22228522      -5.01077689 
Hf      10.76540263       3.65937576      10.59860191      -2.98126564      -1.37931854       0.00974488 
Hf       1.61525951       5.60418179       7.75916182       2.55907350      -0.85428281       0.01731988 
Hf       8.97044018       9.08777740       7.88199086      -1.87135048       0.07418841       1.32065850 
Hf       1.78792892       1.83212093       7.77397758      -1.44544644       0.99166681       1.07618231 
Hf       7.45077450       7.30153044      10.44943134      -1.11378742      -1.95666740      -0.57179668 
Hf       9.07109733       9.16986731       2.40336124      -1.75488421      -0.79445019       0.10179337 
Hf       5.35388999       9.10778711       2.54705491      -0.07239431      -3.74308143      -0.66170494 
Hf       5.31306969       9.22418409       7.89381116      -0.60204414      -2.90374058       2.30127493 
Hf      10.69459959      10.45088238       5.34892042       2.64887487       2.32747900       0.64299639 
Hf       3.74904690       3.58632817       5.12747148      -0.18162840       0.41245908      -1.05868687 
Hf       0.05548206       7.47371669      10.39724071      -4.01894165      -0.06732868      -1.47341017 
Hf       1.94648700       9.06813220       7.83122410      -0.87205424       1.99948928      -4.32616572 
Hf       7.10792050       3.55062903      10.62688791       1.74618622      -2.35490140      -0.59737634 
Hf       9.02876674       5.22907924       2.76320391      -0.33854340      -1.58958115       1.57211396 
Hf       3.56417601       7.17869736       5.23095170       0.41333704      -0.85325612      -1.10058459 
Hf       3.33253221       0.02364140      10.30709712       1.41767792      -0.59048251      -0.39014630 
Hf       7.19166663      10.80330798       5.10313553       0.44130277       2.33578088       1.54347061 
Hf       5.25990296       1.57866428       2.27408603       2.34124020       1.93500027       1.49646554 
Hf       5.25029510       1.77279178       7.51096180       1.54873212      -0.30757386       4.00774788 
Hf       1.76469081       8.94003925       2.17322075       1.17543488       1.85917842       4.44544524 
Hf       3.48887170      10.67392671       5.16386528      -1.49729241       1.73725556      -0.33400665 
Hf       3.49503675       3.66079095      10.59860595       0.99085085       1.35889047      -2.62981248 
Hf       7.13630684      10.76203136       0.08569025       3.38909716       2.13960978      -2.15335121 
Hf       9.03099015       1.57097755       2.66334010      -1.69884527       3.94846297      -1.50142940 
Hf       5.54374849       5.38801147       7.82637228      -0.69977789      -0.16401673       1.23386215 
Hf       9.12397131       1.74592373       7.98431295       0.18832697      -5.57170464      -0.03969294 
O      10.89676124       9.36706556       1.54400011       1.08589136      -0.85442314       0.08337343 
O       6.05309293       7.21455416       3.45704101      -2.78654378       0.48177129      -1.02475130 
O       0.00586519       5.33436333       4.30756041      -0.47573907       0.12000072       0.60634128 
O       0.33824656       1.48865373       4.63867289      -1.70384523      -0.15418409       0.12822527 
O       2.18204637      10.79113871       3.51669308      -0.27707040      -1.47490053      -0.72623214 
O       1.73711456       0.12105087       1.07495605       0.23307837      -0.44119304      -2.45054476 
O       1.54272543       4.11598459       0.41007097       2.93908812      -0.12746773       2.95901179 
O      10.79539490       1.67978630       9.34480698       0.09465220       1.37744317       3.75089252 
O       1.60747111      10.71404682       8.67660278       1.61730499       3.24013454       3.00668956 
O       1.66299974      10.71309989       6.19249579       1.36105390      -2.11659643      -1.11053130 
O       0.08527263       1.13142897       7.24856740      -3.99261401       0.74016090      -2.91382438 
O       1.42295038       3.58051064       3.47390658       2.19679299      -0.36367002      -1.23785725 
O       1.51736250       7.38567263       0.93827551       3.06343751      -0.24441074      -0.18519449 
O       1.50943836       7.58870309       8.87350490      -1.01179678      -6.07375036       1.46254477 
O      10.87747802       1.74940171       2.00441374       2.02841117       0.34142920      -1.66981998 
O       3.50031951       5.40710088       7.09517350       0.14330695      -0.53338062      -0.59509205 
O       3.46867256       1.54855555       6.80747496       0.78004951       0.22138397      -1.77360403 
O       5.19206944       3.55223408       8.98354715      -0.21141661      -0.58814523      -0.59795283 
O      10.71855905       5.49725747       1.58070066       0.45986824       0.27970727       0.92693100 
O       1.87770381       7.03742259       6.17785966      -1.80694862       0.53001623       0.71929738 
O      10.61056685       8.80611573       6.82406523       3.08399798       1.99752081      -0.38977436 
O       3.63060936       1.58146058       4.11253208       0.51996243       1.76903299      -0.04517230 
O       5.83263016      10.76700155       3.36942138      -1.66924474       2.67163190      -0.14734786 
O       5.30846236       0.31308874       0.65843785      -2.31991125       0.10837367       0.63304848 
O       3.42000436       2.15384300       1.28623804      -0.43106707      -1.76504098       2.68958830 
O       2.99773120       1.80044363       9.44399426       0.72697000       1.03866072       0.71150373 
O       5.02113173      10.89200348       8.77367181       0.04222464       3.47496599       0.01068826 
O      10.78458330       9.36619237       9.39929007      -0.76932835      -2.40973511       0.86581037 
O       3.62212284       5.38545938       4.14268379       0.99889681      -1.19845584       1.37877637 
O       5.37874784       3.40663213       3.61422202      -0.52605257       1.19501377      -0.41328910 
O       5.40457563       3.52099568       1.02647676      -0.67706705       1.16319907       0.26794422 
O       8.74813746       7.77801138       6.19771389       0.42557416      -0.88438020       0.63309835 
O       3.45479755       5.51471717       9.76932563      -0.67057022       1.03151892      -0.98736121 
O       5.48275468       3.80392791       6.29456342      -2.54072646      -2.12764665      -0.53707702 
O      10.21855832       5.47992037       9.86917722       2.08489973       0.60196459      -0.32228163 
O       8.61902472       0.11741688       6.65125704       2.57468421      -2.83660386      -3.02693486 
O       1.89791303       3.46052458       6.11184007      -1.16642334       0.16743718       0.42830104 
O       7.25133761       1.69122820       1.54510138      -1.53151608      -0.41264238       1.88140891 
O       9.13027244       0.01017528       1.02936104      -0.63554615      -0.72603652      -0.54386352 
O       7.53104637       9.19636834       4.22800819       0.53224094      -3.99365174      -0.91601247 
O       7.36373796       1.68312218       4.28397944       0.34952449      -0.07206256       0.41993211 
O       3.70785201       8.94147876       6.69519392      -0.52336102       0.51241783      -0.93769583 
O       8.78301928       7.17191198       8.72192144       0.35075962       0.64327000      -0.14513570 
O       7.21965889       1.65533569       9.80477962      -0.70078772       1.03257837      -1.25265415 
O       6.99558864       8.95609450       9.53737991      -0.44587320       1.75361719      -0.53100814 
O       5.12903595       7.22703019       8.77725208      -0.06644332       0.56421061      -0.15754125 
O       9.13126922       7.05190182       3.82629832       0.51969844       2.84662874      -3.25348477 
O       5.47982111       6.72965420       6.12755196      -1.43514412      -0.17436346       0.16892685 
O       7.12831094       9.31729519       1.68193594       2.48326149       0.30454702      -1.26909095 
O       9.20533364       7.80893666       0.58828613      -0.82889467       0.08450581       1.97804213 
O       7.12470301       5.36049569       9.58912603       0.03005503       0.26864120       0.65364024 
O       3.43646225       9.09658000       9.28162725      -0.22327222       0.14071922       0.52928956 
O       8.71405027      10.75813409       9.05591788       0.44166678       0.99227004       0.11111328 
O       7.39408629       4.93922095       7.07957502       0.39620389       1.04886612       0.52087998 
O       5.51981949       0.31521606       6.07693624      -2.81118492      -1.16787345      -0.23359520 
O      10.61435511       5.65736352       6.93035555       2.22985806       0.61600051       0.06801378 
O       0.49577763       8.70727081       4.33089308      -2.25799610       1.85397002      -0.21259504 
O       2.23549029       7.16810663       3.32918179      -0.20009813       1.65285304      -0.16341240 
O       3.96659482       9.02054766       4.10700659       0.00258887      -1.13291030       0.64217843 
O       3.47151695       5.56393536       1.57903829       2.12306775      -0.86603129       0.01295808 
O       5.64310276       7.54537562       0.74995152      -2.83435157      -0.86804497       0.26584188 
O       9.11276782      10.81570984       3.53156784       1.98073578      -1.67444975       3.05002534 
O       8.90609022       3.30477573       9.04117259       0.41657810       2.96469235       1.61736941 
O       7.19854799       5.53865417       1.79225369       1.85001718      -0.57819872      -2.05021398 
O       9.00319270       3.39821781       1.09807986      -0.17882320       1.38852536      -0.69327290 
O       8.98932887       3.40420975       3.75515587       1.71358796      -0.07562196       0.39810347 
O       7.69327592       5.44980024       4.33828322      -1.95908498      -1.82424947       2.11982169 
O       3.76303639       9.41307145       1.09034599      -1.55299086      -2.20007861       2.18197512 
O       9.32067863       3.63662990       6.40883474      -1.73132913      -2.36533747       2.17834345 
O       7.17254787       1.81416547       6.91085697       0.38723574       2.05820397       1.31737327 
O       1.37625580       3.73167057       8.68423387      -0.95598818       0.95039894      -1.40899645 
O       6.74153028       9.01002913       6.76483045       2.87633490       0.25940222      -1.77060820 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008463294666744897 -0.00747270371728545 0.005411248184155254 -0.00747270371728545 -0.00650215957139499 -0.00593568580800502 0.005411248184155254 -0.00593568580800502 -0.009490121933253465" pbc="T T T" energy=-1063.03737422 free_energy=-1063.03737922 config_type=crystal 
Hf       1.98880598       1.77108144       2.58965743      -1.01739880       0.26197187       0.23111086 
Hf       3.46605166       7.03826949       0.04756329       1.66480543       2.20922541       0.59060771 
Hf       5.40297496       5.12165720       2.38350829       0.05275017       2.27606736       1.65705224 
Hf       9.61263970       5.47717633       7.89227622      -1.42686834       0.40279065       1.29202614 
Hf      10.64475231       7.34714465       5.26023417      -0.78255616      -2.62965850      -2.77530514 
Hf      10.62655472      10.76442119      10.32140694      -0.23396140      -0.22776427       1.63440086 
Hf       7.26383446       3.71775568       5.32944065      -0.10287187      -2.77899240      -2.26848021 
Hf       7.22661233       6.94268847       5.06954672      -1.18553081       1.99424086      -1.18602382 
Hf       1.62156239       5.39907068       2.72568343      -0.65609143      -0.04802997      -0.15847024 
Hf      10.75822218       3.57598548       4.97415474       0.88326015       0.03048809      -1.53279467 
Hf       0.18931475       3.03227580      10.43205505      -3.19941070       3.14040224       0.20081072 
Hf       2.03891215       5.87311916       7.82856621      -0.93403096      -4.30857818       1.39506268 
Hf       8.97207152       9.08139301       7.79257822      -2.63613248      -1.35600017       3.17642704 
Hf       1.59732684       1.77076361       7.82167617       1.59733325       0.76414631      -1.02838630 
Hf       7.45328814       7.11642346      10.46561399      -2.92658925       1.69526641      -0.04008165 
Hf       8.91646062       9.20029092       2.86244646       0.01540296      -3.31993929      -1.52020345 
Hf       5.32296022       8.77807210       2.63906399       1.56647129      -1.36229593      -0.48123838 
Hf       5.44006408       9.04435100       8.08687397      -0.50196027      -0.72028301      -0.55352915 
Hf      10.34006748      10.81261883       5.53831220       1.95683656       0.77244739      -0.68994258 
Hf       3.56393191       3.50498556       5.32138993      -1.42781924       2.18502742      -2.02506027 
Hf      10.79483176       7.19551855       0.01546881       0.07708340       1.58786017       2.27001430 
Hf       1.71353681       9.06328307       7.55822004       0.91368658       3.61577022       1.83692192 
Hf       7.10660447       3.56790642      10.56510483       1.75318359       0.96793433       0.23303320 
Hf       9.14274212       5.23213180       2.22455585       2.93032744       0.81140788       2.85626927 
Hf       3.62143853       7.37220278       5.22441317       1.66202506      -4.15880743       0.92345067 
Hf       3.39946471      10.67706035       0.18044099       4.92149737      -0.24257837      -2.74055349 
Hf       6.96116368      10.76659990       5.29887898      -0.56251636       0.23712330      -1.31487283 
Hf       5.49703046       1.53933082       2.76875129       0.27136427      -0.70527128       1.26593363 
Hf       5.28239935       1.99990232       7.65135740       1.28919446      -1.77113330      -0.33801730 
Hf       1.65354887       9.14815877       2.69037847      -1.42978859      -3.12896968      -2.12624110 
Hf       3.15548358      10.92778644       5.06513059       2.17487491      -2.23543286       2.77017712 
Hf       3.51199192       3.45737670      10.50017992      -1.22984895      -1.82108189      -1.42930155 
Hf       7.15012159      10.95152261      10.39220129      -1.48325067      -0.75655276      -1.10877620 
Hf       9.25690287       1.76599753       2.43896329      -2.25911828       0.63176653      -1.40015259 
Hf       5.88844802       5.34833410       7.78732580      -1.45126922       2.02017479       0.50581815 
Hf       9.17026206       2.04324295       7.82666404      -2.88193667      -0.60272311       0.25139540 
O      10.72344794       8.70056727       1.74258076      -0.82897690       2.48121072       0.78864463 
O       5.21660551       6.95484546       3.61106542      -0.43554030       1.77922362       1.00258635 
O      10.49128340       5.38158983       4.07068868       3.18927210      -2.40098890       0.75085445 
O      10.85087247       2.07672393       3.51918154       0.48327002      -0.80196917       1.97612627 
O       1.66714899      10.92280080       3.74228340      -0.00277930       0.15204680      -1.52914464 
O       1.71155048      10.75830522       0.88717117      -2.53936967      -0.81823439       1.66550644 
O       1.75244123       2.69776687       0.80306378       3.23616847       1.41885573       1.41509267 
O      10.83139982       1.53500429       9.24632335       1.79967772      -1.04630089      -0.80348366 
O       2.07228796      10.87346056       8.62721758      -0.40740321       0.44455253       1.34955783 
O       1.29470021       0.18116688       6.34152128       2.83305816      -1.93761884      -1.64238026 
O      10.74248410       1.77694729       6.66496441      -1.03080123       0.35323903      -0.41194889 
O       1.79291620       3.53482445       3.51699006       0.23099340       0.00882820      -0.82354788 
O       1.70648684       7.64785640       0.74650220       0.08276859      -0.59142930      -0.40420085 
O       2.45310932       7.54821037       8.56450892      -0.04578988       0.44897368       0.66457910 
O      10.87511437       1.18488033       1.21211660      -1.43753623       1.55813683       0.51956923 
O       3.74128238       5.43745842       6.89673166      -1.34641405       0.68994949       1.80537791 
O       3.50618152       2.12861440       6.75993261      -2.04819691      -1.73639882       0.92010655 
O       5.91312762       3.64072427       8.88773851      -1.58234361      -1.46270206      -0.89023711 
O       0.03483646       5.35086219       1.22110969       1.24917839      -0.50433579       1.76140695 
O       1.50809592       7.86645456       6.10030707       3.37465437      -2.86191077      -2.11298119 
O      10.67780207       9.03005090       6.72900636      -1.77395254       1.83044458       1.35616157 
O       3.43269634       1.72885581       4.31678989      -0.30184405      -0.97553525      -2.30025412 
O       5.31449550      10.51497038       3.81270882      -0.82730766       1.32192001      -1.39167320 
O       5.50339940       0.06026512       0.90317451       0.49174867      -0.43703480       0.63861002 
O       3.88170423       1.80703082       1.44619917      -1.44110952      -0.21033465       0.77502628 
O       3.82949286       2.01567502       9.06550716      -0.87062740       0.62634731       3.23416484 
O       5.48120332      10.85599604       8.78052198       1.23237802       1.65985523       0.47355040 
O      10.76795253       8.94907159       9.54281749       1.03618087       0.53569068      -1.04245907 
O       3.42702825       5.27881072       4.49670857      -1.22744876       3.03220949      -0.92419213 
O       4.97587436       3.38517392       3.43392942       0.18724424       1.68083890      -0.32484654 
O       5.27039004       4.10858316       0.61871186      -0.52700223      -0.73082132       0.61752340 
O       8.79573580       7.17307649       6.15188493       3.65037753       1.69136176       2.27861902 
O       3.10935969       5.30427903       9.81671205       0.59319345       0.41144634      -1.64121912 
O       5.34402214       3.71961262       6.26883476       1.32471877       0.60462317       0.28024413 
O       0.21778370       5.88917024       9.32993234       0.89474433      -1.20124326      -2.52036277 
O       8.59441305       0.38582409       6.32641449       1.59341551      -1.25554633       1.89911915 
O       1.45273821       3.46602855       6.05468655       1.29440770       0.41753413       0.89961589 
O       7.12879881       2.24089872       2.08277891       0.80740144      -0.52842412      -3.26659023 
O       8.67553720      10.86778722       1.00992368       1.66236583      -0.45741155       1.14163172 
O       7.23290414       8.97481359       4.14756994       0.00746917      -1.03975795       1.04460713 
O       6.83696340       1.78448348       4.53289447      -0.02348784      -0.49615679      -0.90268154 
O       3.64919906       9.22489393       6.46098624       0.09827958       0.00316403       2.51673890 
O       9.08076008       7.24870050       9.00347121      -0.59477775      -0.26559703      -1.33416209 
O       7.77386760       1.82706255       9.70965963      -0.83719489      -0.30777394      -0.25041817 
O       7.42674350       9.07490487       9.50787126      -0.16425413       0.47361050       0.22642533 
O       5.55191739       7.33086974       9.08785314       0.13565201      -1.95900191      -0.73562304 
O       9.21799735       7.04066951       3.68834516      -2.49369158       3.02570479      -1.44019154 
O       5.61413126       7.08312971       6.33304561      -1.26455311       0.18958500      -0.68283916 
O       7.11678818       8.59689459       1.70592006       0.95215243       1.06347081      -0.30265655 
O       8.99209887       7.02640272       1.02494076       0.71786081      -0.81888612      -0.48981661 
O       7.32471980       5.36937718       9.39063413       1.05747051       0.13737434       1.21524772 
O       3.76169264       9.04129120       9.84057819       0.88911500       0.03648175      -0.36813522 
O       9.27415474      10.92018790       8.71811838      -0.86525667      -1.06036157      -0.26447799 
O       7.59109369       5.37412934       6.83014332      -1.74024525      -0.54433086      -0.41228325 
O       5.36194211       0.43308739       6.12734969      -1.81228626       0.12424641       1.99381592 
O       0.22319311       5.94750656       6.81106830      -0.23639980      -0.77973043      -0.69265856 
O      10.72473232       9.10099855       4.34904975      -0.35811734       2.17378136      -1.28461455 
O       1.44658422       7.14460755       3.45768640      -0.07154489       2.02280699       1.33495233 
O       3.29578293       8.83834752       4.12118929      -0.81526654       2.87777775      -1.16724874 
O       3.25457008       5.66545146       1.71852978       1.21890541      -1.33488493      -0.19967639 
O       5.32453514       7.00279790       1.09789184      -0.09832874      -0.45677383      -0.89303889 
O       8.90173346      10.89951404       4.05807875       0.66079126       0.85664575      -3.33036962 
O       9.87726348       3.71010106       8.88443034      -1.82597648       0.83451665      -3.12859261 
O       7.42178251       5.03690552       1.47466618      -3.72003175       0.20935139      -1.54810330 
O       9.33155892       3.45115183       0.61186274      -1.33189862      -0.44734414       2.56894667 
O       8.73177084       3.56516578       3.40315315       1.56570456      -1.12345165       0.30812990 
O       7.07435735       5.31888667       3.97623769      -0.88305832      -0.44002443       0.45673569 
O       3.50164815       9.10593423       1.78174214       0.51869182       1.42024055      -1.05460418 
O       9.12148638       3.84398601       6.02888753       2.16572175      -0.33462252       1.77452044 
O       7.30820451       2.40220084       6.85700238       0.64595625      -0.75581034       3.40163611 
O       1.62550173       3.60153608       9.05847692       0.26178443      -1.54993349      -1.29428067 
O       7.13401156       9.05855293       6.85094842       0.34161755       1.61584739       0.38236363 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007334045658544664 -0.005338979148084696 0.011778447191781668 -0.005338979148084696 -0.015053758672347244 -0.005143574162182657 0.011778447191781668 -0.005143574162182657 -0.004068967413058884" pbc="T T T" energy=-1063.24200754 free_energy=-1063.24200931 config_type=crystal 
Hf       1.98879294       1.80818525       2.65375412      -1.41321289      -0.05144904      -1.14553966 
Hf       3.50437060       6.97403840       0.05125973       0.92004908       0.90448313      -3.00396649 
Hf       5.38498027       5.18117632       2.41803691      -0.95827091       0.95754429       0.42320121 
Hf       9.49687335       5.50273251       7.83416876      -1.47159422       2.37700285      -1.69056851 
Hf      10.68949585       7.27797450       5.28924326       1.31165896      -0.67393242      -2.31295653 
Hf      10.68016714      10.86985746      10.27163548      -0.78487812      -2.50809533       3.26833062 
Hf       7.21721570       3.65120697       5.20330408       1.73658122      -0.54198991      -0.72116770 
Hf       7.18069157       7.05645886       5.05430282      -0.06657831      -2.40160029       2.29048982 
Hf       1.70250488       5.42702579       2.67762271       0.38370772       0.93244370       2.54439436 
Hf      10.85314113       3.56365735       5.06578469       0.32024092       0.22764019      -0.27080750 
Hf       0.21966090       3.14144675      10.35755181      -0.99319378       2.02830965       1.71158641 
Hf       2.05120193       5.85772839       7.91736236      -3.68792435      -0.79358978       1.21185135 
Hf       8.96196286       9.10227602       7.88368363      -1.66365937      -1.24180512       1.69753156 
Hf       1.57963575       1.82050615       7.74771502       1.12865251      -1.55368330      -0.95411961 
Hf       7.50838049       7.11677613      10.55698831      -2.95072467       3.05400219      -2.18496652 
Hf       8.89686373       9.14067615       2.92272777      -0.02951885       0.34747699      -3.54361186 
Hf       5.15574372       8.76236043       2.64874882       1.39161317       0.37300690       0.23568687 
Hf       5.41299093       9.13433974       8.02345753      -1.13938181      -0.65447631       0.99461146 
Hf      10.36700665      10.86363489       5.49937966       2.16952048       2.00738215      -1.54008227 
Hf       3.54690957       3.50813245       5.27014827      -0.50078018       1.46513575      -0.82553227 
Hf      10.82459867       7.20237525      10.61122799       0.95740358       0.70650331      -0.55856878 
Hf       1.71363388       9.01925847       7.59014350       2.16502055       2.44840353       1.13195735 
Hf       7.12348317       3.52371134      10.53580163      -1.50620957       1.63192874       1.14624229 
Hf       9.16103097       5.19958963       2.18411059      -0.03404392      -1.89959492       3.36832774 
Hf       3.60702810       7.21311793       5.30223626       2.01570522      -1.01980261      -0.63883147 
Hf       3.57257619      10.69830754       0.13325397      -0.85050529       0.96030682      -1.64189591 
Hf       7.05744643      10.72014011       5.27090452      -1.47891023       1.21771618      -0.82209504 
Hf       5.59178222       1.49982874       2.87410881      -0.48968670       0.90575869      -2.74955399 
Hf       5.25798599       2.03821951       7.64979929      -1.96640149      -4.53133929       0.85978548 
Hf       1.53098717       8.97677702       2.66359679       0.99510770       2.13291381      -1.92781496 
Hf       3.14366764      10.93473901       5.01031928       1.43647670      -3.16043276       1.72790589 
Hf       3.44352394       3.38615843      10.59129309      -0.77141931       0.06511776      -0.82667403 
Hf       7.11472462       0.02006843      10.35820337       1.28988347      -1.42219229       0.91354512 
Hf       9.24796387       1.81215921       2.43397733      -1.03701759      -1.14203385      -0.17574718 
Hf       5.86351666       5.21339540       7.79731695      -2.49453796       4.98193556       2.46928338 
Hf       9.05055023       2.10303948       7.79487908       0.00273684      -3.04564740       0.75217473 
O      10.66973298       8.86404252       1.86906331      -0.58892830      -0.70408684      -1.32103739 
O       5.13811190       7.16185218       3.88120922       1.41493222      -0.85667695      -1.67661841 
O       0.00696900       5.37239084       4.31802381      -1.21118034       1.56510793      -1.41345913 
O      10.81946414       2.07154898       3.77793583       0.43845665      -2.90914911      -0.04195932 
O       1.75173676      10.90366374       3.46242662       0.02237907      -0.42533402       1.05745275 
O       1.61259239      10.48866645       0.82032337       0.18146627       0.60286832      -1.56750729 
O       1.79293209       3.21645251       1.15169871      -1.10319579      -0.11940734      -3.06984629 
O      10.79619392       1.59054442       9.18234984       1.31200688       0.15358501      -0.12703491 
O       2.26851101      10.76453985       8.65040772      -2.84357020       0.60220403      -0.12222213 
O       1.43066253       0.21576407       6.11102036      -0.45155625      -0.78718361      -0.27364638 
O      10.68552408       2.12022868       6.53622968       0.41287082      -2.04294229       1.06930914 
O       1.54660812       3.60314979       3.42939424       1.93328515      -0.27902326       1.52612782 
O       1.69619817       7.40958684       0.71838732       0.18007424       0.66022880       1.15657625 
O       2.85387048       7.55229466       8.50557059      -3.25191878       0.30907353      -0.15429342 
O      10.80431725       1.28558580       1.22408103       0.99546745       2.33192842      -0.96461219 
O       3.61345128       5.47234572       7.15685795       3.02244773      -2.06090126      -2.32345211 
O       3.32370770       1.91137357       6.82411551       2.42109912       0.11977249      -1.47949904 
O       5.74548515       3.44547082       8.87069969       0.21423358       1.28352820       1.61107735 
O       0.21820550       5.22966999       1.44498715      -1.97483251       0.81081244      -0.69297097 
O       1.85806847       7.61659334       6.01597584      -3.07827392       0.64986817       2.39587765 
O      10.62050898       9.23051272       6.75154994       2.35272598       0.31872210       0.45697147 
O       3.60968460       1.67217528       4.08732817      -0.68882795       1.51122440       1.00366144 
O       5.24366047      10.61981207       3.61974166       1.32148404      -0.21222263       1.37806306 
O       5.60764553       0.23343127       1.07778283       0.29629823      -0.72338157      -1.02513008 
O       3.76922522       1.76174474       1.64361573      -0.46387114       0.40687951      -0.88474459 
O       3.60937455       1.90309127       9.35020790       1.32808520      -1.07185517       0.56719557 
O       5.60821688       0.05586190       8.83799022       0.44804883       0.45692375       0.36052675 
O      10.71744241       8.90137300       9.41203148       1.31651097      -0.78249464       0.44013930 
O       3.25090464       5.39426001       4.44968661       0.15293821      -0.54115407      -0.20594897 
O       5.31019013       3.51963209       3.54951086      -1.06207374       0.04271577       0.27159673 
O       5.10813081       4.19798828       0.51849155       1.52033993      -1.28995962       1.05104607 
O       9.00517333       7.42520243       6.31199519      -0.95805087      -0.79208239      -0.85526994 
O       3.04133455       5.32538533       9.65415574       0.64374795      -0.63474107       1.42439462 
O       5.25719387       3.85811738       6.39834901       0.86970917      -2.27875796      -2.08533048 
O       0.23067683       5.78881285       9.20299550      -0.73903264       0.72819571       2.02654334 
O       8.79504853       0.29480021       6.58573520      -0.45721449       0.03343969      -2.09966598 
O       1.77171251       3.56733912       6.04502713      -1.70558652       0.04246694       0.76208062 
O       7.33928131       2.22824892       1.82420744      -1.87184972      -0.72601752      -0.90685673 
O       8.82846860      10.65749326       0.83464201       1.42830335       1.42770920      -0.01885050 
O       7.15268048       8.68130619       4.11186649      -1.08729150       5.01760290      -0.27264725 
O       6.87196321       1.75740222       4.40827486       0.26453820      -0.21404994       2.03554125 
O       3.54943197       9.49622081       6.74072877       0.69011664      -0.67538789      -0.54031403 
O       8.75927905       7.21795578       8.83115769       1.30103714      -0.19666610       1.47878276 
O       7.75987711       1.85432995       9.76491428       0.86711681      -0.33259604      -0.92045811 
O       7.37989707       9.09310169       9.45075643      -1.26102981      -0.01533246      -0.04841471 
O       5.60993390       7.21366267       8.80745587       0.35836868      -0.32587482       0.95578924 
O       8.92735560       7.24835473       3.56493206       1.02952330      -2.73755021       0.99858144 
O       5.28597572       6.86707596       6.37746866       2.08763429       1.71718330      -1.38095872 
O       7.43493563       8.83311428       1.49025914      -2.07805191      -2.04615457       0.11896396 
O       9.17770326       6.74402277       1.02470054      -1.10584576       0.81338899      -1.94910811 
O       7.30970066       5.40125695       9.51798953       0.41995590      -2.51415644       0.20681740 
O       3.92178960       9.07995427       9.67464919       2.05245404       0.54549050       1.86722716 
O       9.19715148      10.81696617       8.86623264      -0.41991927       1.01194099      -0.10471253 
O       7.46010989       5.53368902       6.84823090      -0.00361769      -0.25353877      -1.13686335 
O       5.43428304       0.28049672       6.33087602       0.46160112       0.17941224      -1.10785439 
O       0.17383118       5.93083701       6.77614035       0.27479022      -0.00486660       0.27859157 
O      10.44112968       9.27597245       4.32271099       1.16602041      -0.79942888       0.58278150 
O       1.38468140       7.30572418       3.69935064      -0.18414364      -0.91937436      -1.85107744 
O       3.36141737       8.87314640       4.01858043       0.10100689       0.80293085       1.57526351 
O       3.43693149       5.53810987       1.65922304      -1.71277521      -0.77178086       0.94380320 
O       5.11117833       7.00268254       1.19671475       2.85850456       2.27408046       0.22666083 
O       8.81817676       0.16182275       3.74993161      -0.33550859      -0.67002529       0.65543409 
O       9.87917201       3.73482864       8.44680178       0.25710696      -0.42443360       3.58290069 
O       7.05039975       4.93198451       1.40028072       3.79146452       2.49119148       1.52402352 
O       9.29946288       3.62572265       0.90324179       0.40495341      -0.42973192      -1.26945348 
O       8.82731603       3.38019607       3.63218270       0.05642045       2.17968529       0.49146279 
O       7.08465445       5.25237860       4.02172141      -0.24223085       1.74068572       0.45694385 
O       3.55338709       9.56611384       1.80855284       0.28079877      -1.67618990      -1.01059450 
O       9.13310007       4.15952034       6.15905281      -0.28731396      -1.73765022      -1.15774614 
O       7.22589296       2.28417974       7.25520139      -0.26661035       1.05044657      -2.44171616 
O       1.73985038       3.35466694       8.99090571      -1.62093997       0.94997712       0.81443267 
O       7.35647621       9.34513746       6.61195854      -1.84529786      -1.95939551       1.92652470 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0017215572204659648 -0.0068069749417229795 -0.011321588627939616 -0.0068069749417229795 -0.017165133807949273 -0.002691726707288126 -0.011321588627939616 -0.002691726707288126 0.009757671293564292" pbc="T T T" energy=-1062.0512824 free_energy=-1062.0512842 config_type=crystal 
Hf       1.67267443       1.68320096       2.72450447       2.76700368       5.25583773      -0.54334316 
Hf       3.92677710       7.08187086      10.57037724      -1.20701684       1.37949737       0.68429165 
Hf       5.56562609       5.53567512       2.73579863      -0.61096693      -0.88283288      -0.07555692 
Hf       8.59814916       5.51246418       7.60087581       5.20521927       0.91880687       0.74902228 
Hf       0.09468876       6.99707131       5.17502934       0.92477036       1.05804557       1.87822069 
Hf       0.16859180       0.10810055      10.31361748      -3.61435777       1.18746651       2.26754095 
Hf       7.18147328       3.53302032       5.09062190      -0.30565631      -0.37087146      -2.32918386 
Hf       7.10990223       7.19483993       5.42650341      -0.39476206       0.36206856      -1.62058559 
Hf       1.84917417       5.53626981       2.55000413      -0.50044067      -2.39456612      -0.49218199 
Hf       0.00521593       3.48363725       5.36182392      -0.02389825       1.47326730      -1.98676413 
Hf      10.71350515       3.97382819      10.21062438      -1.04435097      -7.71406212       1.56574887 
Hf       1.78686444       5.27918388       8.17066631      -1.37141854       1.43161218      -3.41774874 
Hf       8.99500145       9.04583422       8.05881607      -1.22913436       0.45553431      -2.51474127 
Hf       1.72309657       1.72871952       7.62758266      -0.38199809       1.46938887      -1.61458965 
Hf       7.06595815       7.27343159       0.05301012       3.55963929       0.26266669      -3.67825091 
Hf       8.91798844       8.84198349       2.66869594       1.89941880       3.47133461      -0.53876214 
Hf       4.94560698       8.94449823       2.84263507       1.38600618      -0.24519265       0.08615645 
Hf       5.33666125       9.33124832       7.71639476       0.39927156      -2.23099910       0.17297585 
Hf      10.76257938      10.91399009       5.17496291       0.33447343      -0.32373830       0.29134297 
Hf       3.54579601       3.47357679       5.12782468      -1.53629117      -1.17560617      -1.37245419 
Hf       0.05416493       7.34111414      10.53387725      -1.66212692      -0.69291655      -0.72773737 
Hf       1.57119415       9.22909589       8.00681720       2.08491960      -4.47941462      -4.34449697 
Hf       7.06388418       3.58728528       0.00360706       0.99925061      -1.99850470      -1.36874459 
Hf       9.08664981       5.46741859       2.53775549      -0.30594933      -4.95957378      -1.37253665 
Hf       3.68914004       6.82630441       5.50460392      -1.49636636       3.53370925      -0.41492554 
Hf       3.98101445      10.86583037      10.54692839      -2.27531703      -0.68975434       1.20481368 
Hf       7.24683590      10.69078898       5.14064538       0.65609863       2.07741745       0.56792114 
Hf       5.50954988       1.67817051       2.64688205      -1.26139160       1.67923851      -1.89095329 
Hf       5.12784120       1.69548680       7.67397995       1.88937127       0.42329273       0.25169923 
Hf       1.39217125       9.05257205       2.12709281       2.09029205       0.72565267       4.10803724 
Hf       3.58929461      10.64342598       5.07237138      -2.47673079       2.04735262      -0.26728061 
Hf       3.45467977       3.33114485      10.60088481       0.14230389      -0.34225838       1.40473953 
Hf       7.59153412       0.01506067      10.59870289      -3.26860427       0.57672488      -2.15872411 
Hf       9.29987734       1.72716848       2.17500727      -0.47933031       3.29458314       2.87362630 
Hf       5.34146742       5.22128361       8.15538436      -0.47707462       3.32748482      -1.44478223 
Hf       8.86909257       1.94845306       7.81763311       1.09064454       0.07063666       0.77712488 
O      10.60744483       9.01371134       1.24902102      -0.47387809      -1.15149998       1.07079435 
O       5.36442441       7.16697488       4.00515462       0.46503884      -0.21680390      -0.75376252 
O      10.75038612       5.24143356       4.35974423      -0.82307077       0.02224178      -1.28365757 
O      10.80296944       1.79942155       4.05452314      -0.60094879      -0.65730047       0.93490362 
O       2.09122694       0.07726642       3.48160240       0.19265392      -6.11926717       1.35765252 
O       1.69546664      10.50155443       0.79733645       1.28161525      -0.30152562      -1.92603137 
O       1.81522382       3.47168108       1.05265077       0.88046409       0.77295815      -0.74593491 
O      10.61293466       1.90966619       9.45441206      -0.16232097      -1.50398838       0.68858372 
O       1.33115663       0.05249370       8.67374698      -0.04584028       0.66929273       1.36572823 
O       1.70967186       0.15208133       5.96491009      -2.10042418       1.00708600       0.15852486 
O      10.88804431       2.13174803       6.80861162      -0.70063850      -2.60213211       1.74358413 
O       1.52359066       3.48771244       3.73146159       1.65648014       1.76701483       0.75709342 
O       1.81607171       7.29374884       1.21206664      -1.90993896      -1.34426095      -1.64553805 
O       1.37377799       7.44697770       8.92877145      -0.05251207       0.47931473       0.34290998 
O       0.22620393       1.40949685       1.57541975      -2.62213333      -1.06757574      -3.48022038 
O       3.59650289       5.48622029       6.99965865       0.08016360      -0.97630614       0.83430362 
O       3.61290501       1.69190013       6.33244518      -0.36297803       0.55140919       2.02454427 
O       5.23608648       3.47936791       8.83887094       0.36857615      -1.72294809       0.88394622 
O      10.92408309       5.26473368       1.70266142       1.17101093       1.19596996       0.17530591 
O       1.91047354       7.51764664       6.27063276       0.41236838       0.02854090       0.69836729 
O      10.83619187       9.15002468       6.77475943      -1.51852151       0.78865038       0.15900026 
O       3.59406672       1.87918287       3.71873996       1.82771520       2.69645060       2.48774484 
O       5.23579308       0.06515172       3.82628843      -0.35301768      -4.36115490      -0.58740139 
O       5.45164830      10.68318004       1.15914453       1.61692755      -0.13180641       0.45472224 
O       3.40421699       1.35667480       1.38302614       1.17136656       0.26268122      -1.98320743 
O       3.54131763       1.63950821       9.38225146       0.25328558      -0.83608468      -1.51854237 
O       5.57638028      10.65839242       9.11436750      -1.65260403       3.48814830       0.08245454 
O      10.22707420       9.05382563       9.54279943       3.62418556       2.43407140       1.89417282 
O       3.63575079       5.39237645       4.23316187       0.42223748      -3.46686583      -1.44280723 
O       5.74931636       3.66621932       3.27795171      -1.38758302      -0.80837360       2.26987962 
O       5.32851557       3.22808460       0.89349479      -2.43176077      -1.13070196      -1.41524705 
O       9.01969507       6.71133018       5.77795033      -0.92881090       0.67248144       1.87227962 
O       3.53700951       5.33198829       9.53264671      -0.36108150      -0.17035570       0.12634204 
O       5.29581914       3.64478785       6.12763434      -0.22090191      -0.35035900      -0.33785645 
O       0.64448714       5.47102837       9.81725009       1.78901931       5.01825580      -0.03511117 
O       9.01447749       0.60655484       6.23222752      -0.35311874      -1.79232627      -2.57990533 
O       1.70875889       3.57126794       6.43168942       3.60396088       0.44595269      -1.37252975 
O       7.29746610       1.64510114       1.34865471      -0.35165431      -0.26999679       1.14539214 
O       9.15965906       0.15781329       1.00831413       1.84503754      -1.71138359      -1.90348657 
O       6.99055622       8.99270386       4.07113255       1.57724886       0.18134361      -1.36184778 
O       6.84258591       1.67941522       4.19057370       1.89080527      -0.63634371       1.89049055 
O       3.43312078       9.98708006       6.93500244       0.67989822      -2.53958361       2.25449949 
O       9.22342725       7.18994556       8.50592687      -0.33757236      -2.01207476       0.17405639 
O       7.37455449       1.86677827       9.54738159       0.76579499       0.18160086      -0.00978335 
O       6.95006098       8.78033627       9.10330728       2.92229346       0.56981901       1.22071942 
O       5.57249046       7.08093160       9.26860747      -3.43407294      -2.20163346       0.86149236 
O       9.23197556       7.14535880       3.45691134       0.36658381       1.93908884       0.00923908 
O       5.41952816       7.36258045       6.58723453      -1.43640221       1.73767382       0.43909288 
O       7.69408951       8.95591099       1.08930031      -0.14389352       0.44577777       0.58052514 
O       9.08207458       6.71086871       0.57165164      -0.39099133      -0.11302262       1.15898408 
O       7.43409016       5.43502673       9.47069016      -1.88620869      -1.51986153      -0.44753973 
O       3.38221734       8.88375455       9.27148261       1.55141737       0.80112736       0.87597960 
O       8.64649919       0.06017506       8.52687705       0.30120960      -1.05840105       2.83309526 
O       6.85414701       5.47561619       6.77626354      -0.60350682      -0.38191495      -1.10505183 
O       5.51510030      10.89434500       6.28596467       1.12090735      -0.63496579       0.66520180 
O       0.10104686       5.54369678       6.94532586       0.43362215       0.06114349      -0.08059144 
O       0.23639191       9.01113284       3.92287926      -0.73024140       0.09627900       0.40710724 
O       1.78272417       6.93017113       3.87500358      -0.96902869      -0.18964401      -0.89271910 
O       3.57893670       8.62712986       4.29626401       0.43031630       3.81016380       0.09030524 
O       3.88998773       5.55971752       1.40951945      -1.56473826      -0.33432404       1.03829430 
O       5.57184077       7.33029882       1.30089553       0.01851623       0.22370076       1.03797804 
O       9.35727879      10.72900516       3.69302692      -3.07951099      -1.21227444      -1.01503682 
O       9.46096823       4.10193440       8.64230023      -0.25622202      -2.02222700       0.84590219 
O       6.98966988       4.79640478       1.45114973       1.58072798       5.00086485       1.70018761 
O       9.41808141       3.40379003       0.93270517      -2.18859099      -0.41430589      -0.54353700 
O       8.47492035       3.51107129       3.11034046       1.06053688      -0.12578693       2.63859106 
O       7.31231739       5.62912159       3.98525512      -0.22377403      -0.39543722       0.97539249 
O       3.57690644       8.75683455       1.44648637       0.20295118       1.29451825       0.05100886 
O       8.90544809       3.63225999       6.14085022      -0.14820295       0.34922236      -0.30605273 
O       7.00510118       2.03668457       7.07988145      -0.72208335       0.43827073      -1.10766372 
O       1.52398760       3.39503816       8.84128500       1.43433623       0.34237698       1.21704779 
O       7.50217983       9.03923115       6.59161304      -0.94058276       0.69158928      -1.37762682 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007263607606625238 0.0012026272415820787 0.00502617660590944 0.0012026272415820787 0.0034275105994606213 -0.0012083063657696833 0.00502617660590944 -0.0012083063657696833 -0.0029493800175666627" pbc="T T T" energy=-1061.43788326 free_energy=-1061.43789106 config_type=crystal 
Hf       1.57344988       1.62202583       2.34441196       1.65614449       1.71074546       0.77892606 
Hf       3.52168974       7.45185673      10.32597996       0.88962153      -2.57001990       1.89968679 
Hf       5.52223737       5.41023867       2.47131169      -2.90024542       1.91917876       0.16074896 
Hf       9.33655343       5.36915214       7.48289604      -4.55996920      -1.36488110       0.62911212 
Hf       0.21497721       7.17683648       5.44858207       0.24136234      -1.17715963      -1.83390997 
Hf      10.84379982       0.22906257      10.55926908       0.59719872      -2.26964928      -0.51744919 
Hf       7.12981256       3.60502447       5.43295032       1.62748630       1.12566698       0.83942417 
Hf       7.60151493       7.01787687       4.86814758      -3.04262983      -0.21550913      -0.86579129 
Hf       1.67065929       5.65423011       2.65479311       2.65014927      -2.25946119      -0.71948913 
Hf       0.07333212       3.55345239       4.75751043       0.78583571       0.25152572      -0.07200467 
Hf      10.57162244       3.99800162      10.25337752       4.10389616      -4.50621178       1.99708123 
Hf       1.85633797       5.44000372       7.67042072      -0.57709428      -1.86356749       1.29112555 
Hf       9.10256811       9.03533508       7.99444334      -2.29779180      -0.06350962       0.69557298 
Hf       1.52348384       1.87251121       7.96573973       1.92824111      -0.19918818      -0.21000117 
Hf       7.28340780       6.87485593       0.04301493      -1.62992960       0.08462326      -1.88776065 
Hf       8.86522171       9.30635902       2.70729824       6.29817889       0.27147390      -0.37513897 
Hf       5.43637947       9.09038077       2.62603358      -1.40012022      -2.89434355      -2.23065568 
Hf       5.21734022       8.92069303       7.60700385       1.00798073      -2.01858614       0.64534539 
Hf      10.67659790      10.65698271       5.32960572       0.73933799       5.54637819       0.67278128 
Hf       3.68934382       3.51287607       5.56167835      -1.36446817       0.50763465      -0.75171410 
Hf       0.01464149       7.27207502      10.33217922       1.30442836      -1.74850866       4.40856713 
Hf       1.67173123       9.19867623       7.93156707       1.92408287       0.10547798      -0.40041642 
Hf       7.19761969       3.25922024      10.38209683      -1.24696243       1.52523593       2.30096514 
Hf       9.31139177       5.40305811       2.28239451      -1.04052028      -1.05558183       2.41493773 
Hf       3.44442047       7.24800063       5.41184633       4.43516784      -0.70966117      -1.57471347 
Hf       3.81372192      10.90611087       0.21405488      -1.65800264      -0.67649452      -2.86114445 
Hf       6.83476365       0.03814408       5.40780189       4.08953323      -0.82013701      -1.22651306 
Hf       5.31060974       2.08267162       2.83973239      -0.44907504      -2.01249776      -2.31575269 
Hf       5.45568175       1.49430856       8.02646618      -2.92091152       1.70582781       0.11650466 
Hf       1.57103704       8.88659654       2.72376628       0.46696889      -0.00759906      -2.98095684 
Hf       3.48812954      10.86138957       4.96150113      -1.66111748      -2.14799214       0.18380707 
Hf       3.50596832       3.35381796      10.59649120       0.02031979       2.80372555      -2.29656992 
Hf       7.31175184      10.54489878      10.35309104      -1.32988145       3.32834263       4.03496292 
Hf       8.98801820       1.86454094       2.44467191      -1.26088587      -1.23684111       0.68870727 
Hf       5.35247086       5.30872082       8.16693075       1.31859468       0.19555920       0.26166503 
Hf       9.07569633       1.67630898       7.92727571       0.87986256      -1.60722989      -3.10518301 
O      10.75541722       8.67862788       1.63601919       0.27062911       0.25675919       1.95785950 
O       5.39178735       7.02603251       3.61513017       1.08029754       0.22796759      -0.15988691 
O       0.06344521       5.61452589       3.91485383      -2.39949667       0.58792287       0.75509223 
O       0.66459063       1.74713864       4.26517802      -1.06207352      -2.03660463       0.07705229 
O       1.75892324      10.58190727       3.60824481       0.44831394       2.12659614       0.47071145 
O       1.92805616      10.89785059       0.58274927      -6.97716577       0.40422842       1.17364932 
O       1.73632671       3.06345986       0.53042324      -3.17784565      -1.38144050       1.60429359 
O      10.65253096       2.07955891       9.40710164       1.25156063      -1.40620206       0.33928836 
O       0.87871754      10.79474609       8.72021644       0.45888855       1.63034185       0.51787516 
O       1.70583331      10.57176311       6.35851407      -0.68348869       0.57708504      -1.65727370 
O      10.87547734       1.53052526       6.74561566      -0.64479218       0.50334689       1.59864923 
O       1.30121290       3.57535179       2.99567800       0.74848443       0.91037683       0.09564721 
O       1.83986223       7.43939604       1.26427299       0.23649140      -0.87579705      -1.64744287 
O       1.74296495       7.20054582       9.02540479      -0.79097873      -0.58308443       1.18279927 
O      10.71707309       1.50402105       1.58378042       0.11567182      -0.97627402      -1.81678751 
O       3.74145559       5.32624943       7.03727904      -2.23963233      -0.05760092      -1.40883938 
O       3.46431349       1.86077986       7.07954930      -0.99379418       0.91554818      -0.84155750 
O       5.13816603       3.33027889       9.01931767       0.88673995      -1.11128345      -0.82854153 
O       0.10547484       5.26095277       1.27825523       1.23115034       0.45087659      -0.81644251 
O       1.91894975       7.19952307       6.66080592      -1.62256633       0.98376518      -1.16080526 
O      10.80049240       8.61226542       6.87076268      -1.11218363       1.23962949       2.70567720 
O       3.83650141       1.76563390       4.22433024      -0.55480074       0.98211788       0.95130143 
O       5.26415520      10.67481722       3.57726829       1.80022630       5.78756910       3.25397037 
O       5.46929929      10.77774555       1.06647368       5.08875876      -0.84026835      -0.05743655 
O       3.56296493       1.27423144       1.73608229       0.47327242       2.48646051       1.51764284 
O       3.23865923       1.53987347       9.51301962       0.92832421      -0.71790011       0.23176420 
O       5.40394577      10.36207327       8.99077646       1.43260469       3.51715124       0.25501697 
O      10.48774746       8.98393413       9.88801021      -0.50513845       1.41061306      -2.99855786 
O       2.77090113       5.27832789       4.61945364       1.72860586       1.32587987      -0.43616549 
O       4.95733703       3.98926267       3.80177317       0.73698579      -2.25736537      -0.34684729 
O       5.25638094       2.95893841       0.83641759       1.55817825       0.55386151       2.82346371 
O       9.25748946       6.66397013       5.88073117      -0.49304059       1.27606035      -0.59907010 
O       4.04850330       5.42911071       9.83255224      -1.05518445       0.28876103      -1.91678760 
O       5.45039811       3.60670545       6.59877635       0.40961387      -0.20611254      -1.43270577 
O      10.71998705       5.47101281       9.11793172      -0.59113579       3.22581954      -1.70122493 
O       8.84123004      10.91329669       6.39134642       1.85405262      -0.47537751      -0.58007762 
O       1.69841139       3.61403644       5.97788023       1.17259121      -1.38445789       2.15631559 
O       7.40748910       1.67321084       1.30861729      -0.52649536       0.83957026      -0.28073479 
O       8.93947841      10.42594521       1.03152819       2.01084860       3.41364141      -2.19415126 
O       7.55213284       9.10699423       4.06975333      -3.35869471       0.04643905       5.47630972 
O       7.15607497       1.90005646       4.08290427      -1.51449050       0.32892062       0.26523103 
O       3.44186695       9.08669517       6.74251752       0.97523738      -0.52475454      -0.70782719 
O       8.51901112       7.03938032       8.49622376       1.97397690       1.01286622       0.07943834 
O       7.16614485       1.66256555       9.28465343      -0.26136625      -3.21185350      -0.51239261 
O       7.61353629       8.81610454       9.86690601       0.35913220      -2.81927305      -1.66084130 
O       5.14143825       7.48158343       9.01274246       0.93627598      -0.38089307      -0.99077870 
O       8.69382692       7.21813030       3.05251190      -0.09280296      -1.44001244       1.62729271 
O       5.49222735       7.16763070       6.39433402      -0.86578994       1.12367789      -0.94024619 
O       7.31034991       9.08589867       1.76413669      -4.74590585      -1.89503083      -3.39457552 
O       9.15904213       6.48152862       0.66966261      -1.27926825       2.06174057      -3.38669789 
O       6.74967289       5.11274186       9.65192631       1.84548306       1.89032678       1.16496581 
O       3.25816134       9.20207642       9.34004594      -0.84626521       0.43442434       0.55824054 
O       9.20068709      10.90727385       8.97777656      -1.33179457      -0.51521149       0.87024214 
O       7.27021118       5.41648217       6.92500162       0.67284080      -1.79805277      -1.25207012 
O       5.11128405       0.35301777       6.18364651      -0.27367376      -1.74578713       0.98960180 
O       0.10222408       5.16921029       6.60516927       1.83907692       2.29893948      -0.43092182 
O      10.57907361       8.95291671       4.52404433       0.09681204      -2.50386003      -2.32364308 
O       1.86326599       7.44028369       4.11610268      -1.45492022       0.74967619      -1.38083301 
O       3.93092636       8.97015236       4.14953078      -1.54063182      -0.91657196       2.63965782 
O       3.15465486       5.24979923       1.36054357       1.50010799      -1.08677960       2.27982020 
O       5.27951048       7.09361372       0.90090107       1.78832444       0.15578731       0.91703704 
O       9.35600132       0.33352945       3.74006088      -0.04223540      -1.41492931      -0.04865495 
O       8.80085368       3.39667444       8.74070926      -0.09061032       4.17619234       0.43650008 
O       7.12230979       4.93710874       1.57107377       1.66390485       1.07433177      -1.25430619 
O       9.09524633       3.66475067       0.75706626      -1.97908435      -0.57809101       0.00566224 
O       9.36601653       3.59447833       3.19324028       0.64856949      -0.06853284       1.74771936 
O       7.27154705       5.12464785       4.03700474       0.30622281       0.88597385       1.38976484 
O       3.55365398       9.43049423       1.74755173      -0.15995819      -1.99367622      -0.77831219 
O       9.30918129       3.60089877       5.92069153      -3.17417048      -0.13501768       0.78337618 
O       7.04423339       1.71552773       6.75685551       1.68343201      -0.07343340      -0.19138724 
O       1.87014472       3.91808472       8.89169250      -0.50886150      -1.99614022      -0.86650877 
O       7.16151342       9.39626374       6.91507657      -0.86485412      -0.56995875       0.26981545 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.001987784210962817 -0.0008726562426693476 0.0027476185851481876 -0.0008726562426693476 0.004328834162201751 0.002638829293295353 0.0027476185851481876 0.002638829293295353 -0.01142798033144287" pbc="T T T" energy=-1063.32127606 free_energy=-1063.32127705 config_type=crystal 
Hf       1.58351166       1.68114101       2.35613521       0.04223760       0.49029668       1.75494335 
Hf       3.56313826       7.40990829      10.43912535       1.14178825      -1.38834184       1.73771420 
Hf       5.45524691       5.34396386       2.49200296      -1.13120963       1.26023662      -0.25428071 
Hf       9.25605400       5.36459981       7.47174898      -2.25455863       0.46241935       2.09862196 
Hf       0.14055310       7.10276341       5.40766032       1.49187740       2.45809716      -1.02197121 
Hf      10.81799822       0.27053969      10.52649477      -1.04717926      -3.41912665      -1.82088324 
Hf       7.11416619       3.59227355       5.45624207       0.56884095      -0.64875503       0.72657861 
Hf       7.53613083       7.00191573       4.85608356      -5.44434707       1.01311256      -0.78921513 
Hf       1.67900021       5.67917111       2.66741249       3.10711471      -2.29759846      -0.91114359 
Hf       0.15264962       3.55957876       4.76841621      -0.04967230      -1.51484808       0.21725466 
Hf      10.56061724       3.93848644      10.27386566       3.29366704      -1.30950626      -0.77723847 
Hf       1.88171458       5.46055191       7.63210456      -1.65049486      -0.66185158       4.17196797 
Hf       9.16612518       9.04215388       8.04616777      -5.98938710      -0.52663508       0.27699297 
Hf       1.51205662       1.83223762       7.96221207       2.32527829       0.28282751      -1.38803796 
Hf       7.24196147       6.91707816       0.02512611      -0.49370590      -0.45712600      -0.65669349 
Hf       8.96309122       9.31793875       2.71125584      -1.27044851      -0.10580017      -0.47220228 
Hf       5.48206796       9.05675658       2.60027750      -1.04152972       0.19233790      -0.03317607 
Hf       5.25517523       8.97168335       7.63269181       5.47881703      -3.30038038       2.43194150 
Hf      10.76849869      10.72207461       5.28571741      -0.36691828       4.23778072      -0.12515117 
Hf       3.69367133       3.57317943       5.56476618      -1.32669636      -1.02074925      -1.93676558 
Hf      10.92766428       7.24280157      10.32352328       1.01874429       0.63697107       1.48166829 
Hf       1.66883085       9.29041289       7.84083112       0.57557255      -2.97449966       0.65261453 
Hf       7.17153126       3.30107775      10.39421761       0.43335513       0.85587067       1.33999188 
Hf       9.33116560       5.32439283       2.26371712      -1.80584197       2.52242360      -0.00772099 
Hf       3.44764219       7.16966425       5.37288403       3.72548278      -0.55349633       0.79396679 
Hf       3.78583988      10.88778521       0.17339290      -0.77495983      -0.94273543       0.83846626 
Hf       6.87859839       0.01142919       5.49923553       4.54221531      -1.05387331      -2.43943776 
Hf       5.25040356       2.11637841       2.75247223       0.54059549      -3.31727867       2.72590026 
Hf       5.49094057       1.50526160       8.02371529      -2.08781009       2.29815444      -2.04790964 
Hf       1.65009006       8.87838951       2.74477142      -0.62151092       3.68364510      -1.95658082 
Hf       3.48232702      10.86916691       4.99557282      -0.90723574       1.94706099       0.30810422 
Hf       3.49404928       3.33398760      10.62252736      -1.59646663       2.87742829      -0.67560877 
Hf       7.25915943      10.55548008      10.34531656       1.24510283       0.16653528       2.37798401 
Hf       8.98622416       1.77115211       2.43058147      -1.54703041      -0.87653070      -0.13739765 
Hf       5.32779390       5.31528477       8.16056175       2.45851981       2.60637640      -0.61907777 
Hf       9.10201823       1.72190040       7.89180940      -1.64949598      -1.39938549      -2.95289674 
O      10.65919341       8.87446014       1.76558245       2.05633219      -1.04926768       0.81339370 
O       5.26339464       7.09902248       3.38049148       0.40105026      -0.15059785       2.18126850 
O       0.05746575       5.69460768       3.87011573      -2.09362223      -0.67572012      -0.08766969 
O       0.60329904       1.63338457       4.40705083      -2.12695545       1.92877768      -0.84760060 
O       1.61488778      10.78706352       3.70060997       1.88801335      -2.59330045      -1.68037451 
O       1.67722621      10.91916089       0.60584312       0.98080871      -0.40056521       0.58384452 
O       1.50178044       2.93816737       0.69174435       0.27909775       0.34457783      -1.09155229 
O      10.53736576       1.96107185       9.27125377       1.94652536       0.96804032       2.44317097 
O       0.98110114      10.86245176       8.64457452       0.33876797       2.21604472       1.63274350 
O       1.67035702      10.63767013       6.30910581       0.21570281      -0.26951983      -0.95483103 
O      10.78290802       1.48887406       6.83804545       1.76984356       0.94313228       0.82551583 
O       1.49351885       3.65282889       3.11819752      -0.91027332      -0.07270215       0.54168192 
O       1.90922269       7.40591625       1.27983980      -0.73797018      -0.50813185      -0.07092894 
O       1.52559397       7.05620128       9.10576130       3.09764223       1.30115684      -0.42760834 
O      10.76432840       1.16400422       1.58810270      -0.47407795       2.59204944       1.91848581 
O       3.70529378       5.40245827       6.98820941      -1.32220641       0.30029196      -1.10563580 
O       3.57630912       1.82404264       7.17722215      -2.23744364       0.16678926      -0.22376690 
O       5.00896049       3.52737700       8.81283478       0.56342641      -3.68623877       3.60291704 
O       0.21985252       5.18969253       1.21681940       0.27803481       0.44095102       0.50166056 
O       1.88147399       7.24784583       6.64442567       0.20251147       1.19180517      -1.08638491 
O      10.65500899       8.50798161       7.04593944       2.99837763       0.26763162      -1.92350954 
O       3.66702338       1.93932353       4.26446268      -0.18718355      -1.13681387       0.36696668 
O       5.17729724      10.94734169       3.60590770       0.90764466      -0.38074517       0.62164391 
O       5.78113773      10.80101412       1.01173646      -3.32087003       0.05768903      -0.22605293 
O       3.49770552       1.36366867       1.80286122       1.52853658       0.66056345      -1.38928048 
O       3.24580188       1.68055990       9.66473893       1.30150133      -3.18212679       0.33963794 
O       5.56438149      10.65719920       9.00492728      -1.77596342      -0.59277016      -0.39397069 
O      10.49125108       8.94693561       9.47720478       1.66216824       0.33771058       2.29107032 
O       2.88255986       5.32046236       4.65483280      -0.07947361       1.80174490      -0.93188376 
O       4.91776067       3.95487924       3.93217230       1.67782564      -0.81404557      -2.32911201 
O       5.41653290       3.06567954       0.99221736      -1.63675731       1.44443113      -0.93250028 
O       9.17529755       6.76406130       5.61776907       1.22294133      -1.00727991       2.81307358 
O       3.88360958       5.66368744       9.75112910      -1.12434606      -3.91566282      -0.79681050 
O       5.31140569       3.64145733       6.55232741       3.53892399      -0.06102686      -0.62788533 
O      10.90437883       5.57766969       9.09305402      -2.89008219      -2.63758306      -0.32458573 
O       8.95693559       0.13304901       6.34129371      -0.16041623      -1.65461800       0.13390342 
O       1.74229839       3.37076711       5.94599748      -1.41771790       0.62254911       2.80647922 
O       7.41931380       1.70667539       1.29355802      -0.59544457       0.78801159      -0.43046970 
O       9.06230832      10.63997791       1.00525915      -1.31894503      -0.23152686      -0.20406139 
O       7.50285330       9.06093433       4.45989864      -0.56797816       1.00006585      -1.99671978 
O       7.09712523       1.81564552       3.99517336      -1.21295435       1.31651284       0.28802619 
O       3.54637328       9.14831489       7.04889165      -3.39435082       0.40705045      -2.05606334 
O       8.53214211       7.10589912       8.65139069       2.47755506      -1.47773397      -2.11512290 
O       7.14393846       1.46937884       9.30033589       0.22225144       2.90447711       0.23724088 
O       7.47375822       8.66664673       9.88274163      -0.20177262       2.72369813      -1.60071775 
O       5.20988422       7.29402076       8.87403858       0.19421746       2.44799542       0.51379408 
O       8.48189296       7.20260905       3.09519743       1.40273515      -1.20683144      -0.60203086 
O       5.55574662       7.22162067       6.43571324      -1.24662475      -0.06011052      -2.29155110 
O       7.14432335       8.85585948       1.58847493       2.53529257       0.38686949       1.50635199 
O       9.30713066       6.49407675       0.56860388      -2.65561475       0.16514839      -0.39479975 
O       6.91063658       5.24513526       9.56225528      -0.61933199      -0.64910077       1.09425800 
O       3.16187958       9.09043007       9.57093205      -0.09097972       3.05104846      -0.50780124 
O       8.94227219      10.82531902       8.97350487       0.61132684       1.43325819       0.10408959 
O       7.35520728       5.14772514       7.01218875      -0.72017162      -0.36435855      -1.96679525 
O       5.14757219       0.28046593       6.28171519      -0.49762292      -1.60675907       0.96992158 
O       0.14233860       5.53815173       6.57192101       0.03196915      -3.01063473       0.52254600 
O      10.76880469       8.87900611       4.53651098      -1.17683776       1.11842607      -2.01072233 
O       1.83238629       7.54091674       4.13225504      -0.14829041      -1.54566121      -1.54242253 
O       3.78704800       9.02076744       4.50551278       0.22350212      -0.91662464      -0.91018303 
O       3.43021612       5.15306334       1.65197948       0.75993107      -0.74079708       0.82792642 
O       5.30469624       7.26061548       1.01799386       0.15511988      -0.53665255      -1.32125678 
O       9.24720966       0.38632226       3.83740583       0.44115454      -3.07269570      -0.88943809 
O       8.75073502       3.68561648       8.74286269       1.31869223      -0.10286248       0.15088680 
O       7.13706314       5.02025208       1.43609269       0.66277971       0.86541329       0.27333644 
O       9.08019892       3.46172218       0.76478376      -0.45731782       0.52568874      -1.14687566 
O       9.23221725       3.61744682       3.05930436       1.70177406      -1.44353785       3.27291512 
O       7.19813363       4.99284411       4.09117735       0.11788964       2.43138935      -0.19746868 
O       3.65206910       9.39010274       1.73304920      -1.03175606      -0.31119637      -0.29893725 
O       9.26047683       3.43151189       5.94270345      -0.44072565       1.25059916       0.18086482 
O       7.12274014       1.79373856       6.60339412      -0.18461274      -0.40324250       2.30573824 
O       1.97772815       3.72353640       8.88930661      -1.14511395       0.05924343      -1.13168087 
O       7.15475686       9.21081920       6.81122880      -0.36250572       1.74211674       1.36551137 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00960677112009947 -0.0024634632341777834 -0.0019290592746614619 -0.0024634632341777834 -0.00844332218706658 -0.004653631530509474 -0.0019290592746614619 -0.004653631530509474 0.010807248717281994" pbc="T T T" energy=-1060.50365192 free_energy=-1060.50366591 config_type=crystal 
Hf       1.91722112       1.89304758       2.88087194      -3.05495785       0.56123373       0.04512648 
Hf       3.55523690       7.19480345      10.54021161      -0.10517710       1.39990217      -0.69487429 
Hf       5.28697414       5.10248113       2.50531589      -0.24357030      -0.32127296      -1.66402912 
Hf       9.02767739       5.14872202       8.07687262       1.44120834      -0.85021472      -3.13668549 
Hf       0.15649682       7.41111619       5.17942720      -1.78763648      -3.53361859       0.41104952 
Hf      10.71977944      10.91028982      10.61634256      -2.28871421      -0.75997619       1.14906425 
Hf       7.12316753       3.97384988       5.09193607       3.12739316      -1.21091165      -0.18673383 
Hf       7.25067466       7.20530412       5.30705258      -0.34379873       1.91634174       1.88864580 
Hf       1.40867734       5.49750825       2.54861992       1.07204795      -1.74593913       1.64089726 
Hf      10.75814417       3.34268415       5.36990600      -1.21572260       3.32041424       1.84201470 
Hf       0.02373333       3.38312614       0.06490737      -1.72643421      -1.61056039      -0.00262931 
Hf       1.79617244       5.34855694       7.98357296      -1.90171301      -1.21881698      -0.10148396 
Hf       9.25512910       9.07438128       7.57868862      -1.15469625      -1.45798747       1.93860694 
Hf       2.03140521       1.63727768       7.65434606      -5.53562243       3.58286505      -1.78539142 
Hf       7.12968580       7.08611785      10.45458746       0.15084260       4.36586742       3.14651778 
Hf       8.82410965       9.02143948       2.97407891       0.19877503       0.83806105      -2.46966219 
Hf       5.40232099       8.78860487       2.50172541      -0.35034409       0.78602728      -0.73502184 
Hf       5.41633043       9.01186470       7.86262588      -1.30358171      -1.63115375       2.32652709 
Hf       0.10481441      10.76499080       5.02226319       1.50641863       2.68567370       1.46215648 
Hf       3.59084719       3.85959732       5.39488203      -2.32664709      -3.68503871      -1.38861316 
Hf      10.82510319       7.19131363      10.37055905      -1.70095572       0.29195289       0.65096077 
Hf       1.75985406       9.07702223       7.70651181       2.82479788       1.49430611       1.56280068 
Hf       7.31227532       3.38703162       0.03450790      -0.95838434       0.33053305      -1.96277080 
Hf       8.86998932       5.26221095       2.47263883       1.20102826      -0.74844822       0.91965130 
Hf       3.54461396       7.27333211       4.88747971       2.00044865       0.13271672       1.84223750 
Hf       3.52377883       0.06808519      10.35154600      -0.80677142      -2.55368707       0.15997416 
Hf       7.30918661       0.28786430       5.36878634       0.83257235      -2.82867977      -3.48514960 
Hf       5.03568546       1.69064315       2.31160417       5.39259502       0.54352430       1.22313347 
Hf       5.46450648       1.93270271       7.77255925      -0.63887210       1.07691226       3.84226504 
Hf       1.47791356       8.97854258       2.34442057       2.81899116       2.18781924       0.12237120 
Hf       3.95696855      10.79002142       4.97801222      -2.75112675       0.22470359      -0.55535937 
Hf       3.33388593       3.64561733      10.61838514      -1.10130712       2.81470211       0.51487416 
Hf       7.01160839      10.92991267      10.37607147       2.73936731      -0.07611765       2.17711588 
Hf       8.94933607       1.64392655       2.75145079       1.91835668       0.31875755      -2.61933971 
Hf       5.46297549       5.45509550       7.89491519      -0.42051572       0.44052220       0.72013948 
Hf       8.99199490       1.51713637       7.74380642       1.26848935       1.34554060       2.24624578 
O      10.73884244       9.32632403       1.54304945      -2.73074389      -0.79316304       0.22841618 
O       5.54952438       7.47717879       4.17342828       0.39339663       0.39090732      -2.12629619 
O       0.36299233       5.25634741       4.49572910      -1.02888615       1.03658826      -0.79396176 
O       0.16813352       1.69868288       4.31624749       0.72807774       0.79584726      -0.49375767 
O       1.81353583      10.88983814       3.51012521       1.27713019       0.98257843      -0.07589667 
O       1.51518467       0.01422144       0.64879384       3.98886419      -1.31907313       0.89502341 
O       1.53406909       3.82030987       1.34196663      -0.33097677      -2.31045654      -2.28009149 
O       0.00151489       1.54951749       9.56598191      -0.88334665       2.51160023      -0.21158834 
O       2.42763070       0.27084908       8.68724517      -0.12930028      -4.79906531       1.75096195 
O       2.22723900      10.92407597       6.23611710      -1.98697787      -1.11649740      -0.88446864 
O      10.77720893       1.64201396       6.77086538       0.35519410      -0.59603989       1.08453567 
O       2.28550728       3.82097347       3.58359095      -1.08238112      -1.67594240       0.84391305 
O       1.33042488       7.51307634       1.01896343       2.20121242      -1.18659392       1.28781099 
O       1.72343314       7.07050555       9.43979134      -0.71618555      -0.75731818      -3.41041671 
O      10.86400214       1.69204431       1.90630849       0.87301359       1.29550270      -1.05660108 
O       3.60901596       4.85289173       7.10310295      -1.49029263       1.37142999       0.67067244 
O       3.60969293       1.89417429       6.68804124       5.28352106       0.72283511      -0.27722372 
O       5.67438630       3.64001739       8.92663523      -0.37647146      -0.23620401      -1.60622462 
O      10.60797521       5.71630242       1.62922290       1.38505709      -0.15417051      -1.33778824 
O       1.73482399       6.90753976       6.38820374       0.55718504       0.52393711       0.86008649 
O      10.92254596       9.13313415       6.37940474       1.79109438      -0.53747847       1.29073804 
O       3.79977044       1.97778501       4.17033885      -0.00216071      -2.13114162      -0.41665612 
O       5.26615205      10.92601518       3.33537924       0.28905446      -0.49944846       1.13965310 
O       5.32864397      10.85032193       0.71177619      -2.33922184       1.28882039       1.64887302 
O       3.37765449       1.55822652       1.48359295      -2.21100556       0.62094794      -0.67638621 
O       3.63979257       1.98696241       9.72735437       1.20425157       0.02004260      -1.94298835 
O       4.96367266      10.76854678       8.73832294       2.23080398       2.44191858      -0.97222113 
O       0.36102156       9.83099114       8.96903283      -1.07262114      -2.02011982      -0.33611048 
O       3.98583191       5.32623146       4.09255551       0.65909753       2.74502016       1.95905407 
O       5.90122787       3.41805211       3.55508822      -2.30744486       1.27294897      -1.35807727 
O       5.08645568       3.72459124       0.88002699       1.24165567      -0.53555940       1.78856207 
O       9.52866426       7.03068563       6.92068071       0.81280640       0.61992973      -0.76282390 
O       3.71713820       5.42342312       9.44081034      -1.20984066      -1.72967318       0.52939965 
O       5.52223156       3.78113757       6.26930009       0.11619777      -1.10104233       0.15437145 
O      10.69716045       5.46202177       9.43698773      -1.12503778      -0.39499593       1.38064373 
O       9.15713053      10.73729578       6.19561094      -2.01956337       1.52408491       1.09692485 
O       1.63055179       3.41724487       6.33830016       2.42321686       0.81824390      -0.67108931 
O       6.93804564       1.83791764       1.14561860      -0.33885707      -0.55735437       3.01664774 
O       8.91985676       0.23074793       1.14294657      -0.85512019       0.29815291      -0.89720414 
O       7.45694054       9.42259769       4.52767286      -0.40652649      -1.79230903      -0.41191820 
O       7.46229200       2.06076356       4.21627250       0.99350215      -5.11734840       1.11793366 
O       3.59762369       8.73866413       6.98971022      -1.54392609       0.30078996      -2.36452195 
O       9.15172670       8.09283872       9.35115515       1.08595670      -1.97584062       1.82463743 
O       6.97823587       1.64292068       9.34652537      -0.79757149       0.53032811      -1.69101141 
O       6.72084886       9.04313521      10.01767498      -0.07305392      -1.42336713      -1.47946883 
O       5.33005741       7.21203954       9.31504323      -0.17705384      -0.75590252      -1.71280421 
O       9.15059571       7.51387799       4.25706883       0.57407916      -0.50641045       0.02824403 
O       5.03454133       7.03429531       6.43255420       1.65804846      -1.77725316       0.81038436 
O       7.22600241       9.38135986       1.90311108      -0.67812768      -1.01688921       0.58133713 
O       8.52312050       6.97609671       1.39359859       0.05100006       1.94372506      -0.55828689 
O       7.29912582       5.52712309       9.42936397       1.20529860      -2.16901101      -1.66861608 
O       3.36102537       9.02807597       9.29434209      -0.65073679      -1.04131210       1.70323916 
O       8.58022755      10.69405902       8.86932505       1.25337288       0.74048824      -1.41577577 
O       7.37473712       5.50569655       6.75128305      -1.45785570       1.09359495      -0.77293064 
O       5.42723154      10.16830962       6.19134222       1.14320807       3.26790136      -2.28890867 
O      10.77142252       4.69007987       7.15547362       1.24457004       0.61391629       0.60006667 
O       0.51432263       9.09828848       4.11645226      -1.04268644      -2.41531879      -0.77788383 
O       1.77770741       7.15527990       3.63389747       0.81333117       1.21612784       0.58678308 
O       3.67101662       8.96588325       3.73916443      -0.78845264       0.68363984       2.15078337 
O       3.28974125       5.44479718       1.65707322       0.68906805       1.20808877      -1.22274483 
O       5.53378927       6.69552450       1.33940206       0.89294013       2.77257694      -0.88360876 
O       9.48217905      10.73292434       3.80348051      -1.27808901       1.77343762      -1.66268085 
O       8.84936947       3.24562242       8.97713319       0.30430148       0.77022935       0.52873263 
O       7.29979688       4.81497432       1.57669598      -3.80272535      -0.73903893      -1.43762784 
O       9.09828782       3.47340511       1.02053142       1.40200707      -0.21628353      -0.04166820 
O       9.17789499       3.58730895       3.78800660       0.68738366       0.58847104      -0.96374372 
O       7.43523133       5.70922978       3.91921597      -1.32027969      -1.01419970       1.60786488 
O       3.83515733       8.73311350       1.20074538      -0.48916681       0.34503312       1.19947595 
O       8.78000528       3.51327443       6.36390255       0.22027995      -0.87803243      -0.23923067 
O       7.15477713       1.58403305       6.77099017      -0.88434522       0.22333954       1.32983671 
O       1.56986760       3.58321940       9.43306297       1.24238859       1.16999283      -2.57800955 
O       7.33517643       8.47580340       7.08979937      -0.39037608       0.48970654      -0.05529076 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01098903200273187 -0.006062325847165428 -0.001741164022607613 -0.006062325847165428 -0.014691381215041634 0.003009202467074222 -0.001741164022607613 0.003009202467074222 0.02058556355261978" pbc="T T T" energy=-1060.56771881 free_energy=-1060.56771978 config_type=crystal 
Hf       1.90513095       1.93280767       2.98032058      -1.35040854      -1.79790976      -0.07868570 
Hf       3.51951793       7.18679954      10.56741153      -1.68256859       0.74490569      -0.38555908 
Hf       5.34806666       5.16145454       2.44861804      -0.63021454      -0.23266646       0.27350950 
Hf       9.04853915       5.14769807       7.94257116       1.28557878      -0.10032680       0.90625417 
Hf       0.14409627       7.30899477       5.15423030      -0.62988134      -1.26951559       1.90101964 
Hf      10.67626834      10.77949588      10.60579381      -0.08204235       1.89145527      -0.30820030 
Hf       7.12791499       3.91571494       5.04499171       1.15072819      -3.26898756       1.96910647 
Hf       7.19990741       7.17050665       5.35201250      -0.35966947       1.77181731       0.65742785 
Hf       1.35816832       5.35353622       2.63319668       2.96482058       1.01359041       0.06737375 
Hf      10.75956023       3.44520875       5.42589096       1.57352353       0.37682250       1.10873080 
Hf       0.15147064       3.33707993       0.19806451      -5.33914878      -1.17063397      -4.89518193 
Hf       1.72889701       5.27350571       8.04693094       1.22300349       2.01298739       1.11359279 
Hf       9.31131705       9.04616388       7.58271489      -0.52535332      -1.15737500       1.76826851 
Hf       2.03219261       1.70502498       7.59370496      -0.51812783      -0.13200204      -0.24702443 
Hf       7.04744810       7.18933388      10.60088183       4.40926058       0.25034319      -2.21040737 
Hf       8.83880899       9.13714952       3.02426778      -0.60418662      -3.04515972      -1.35476919 
Hf       5.41132847       8.83503388       2.42023499      -1.71817252       2.08617633       2.63505659 
Hf       5.40723136       8.87921592       7.91607519       0.18619970       1.90605032      -0.19679641 
Hf       0.06040196      10.75128626       4.97934308       1.82300634       0.49129416       0.88821145 
Hf       3.61509183       3.94415091       5.35109884       1.11000129      -2.28041615      -0.53123725 
Hf      10.78205433       7.20323836      10.45101474       2.13997585      -1.33972243       0.76269120 
Hf       1.71710364       9.11767161       7.73024743       1.45605177      -0.88667551       0.54619978 
Hf       7.32275474       3.32245696      10.58568534       1.22416848      -0.34540046      -3.08389459 
Hf       8.91481306       5.21339551       2.42660453      -0.69222168       1.44335822      -2.78016406 
Hf       3.54433097       7.37110904       4.99247457       0.70214288       2.41636712       1.85902752 
Hf       3.45099516       0.11171318      10.30016510       1.13473501      -1.11498775       0.28827136 
Hf       7.35013378       0.25252473       5.25748828      -0.55703817      -5.37630639       0.43985816 
Hf       5.11665852       1.76903990       2.34671930       0.36448876      -4.14821727       2.31727608 
Hf       5.42324049       1.89253068       7.79430097      -0.41888635       4.85500825      -0.08903066 
Hf       1.53439689       9.00758967       2.23589221       1.71447205       1.59795902       1.10364852 
Hf       3.99800107      10.75704507       4.84845842       0.29682431       3.40403860       3.23140734 
Hf       3.31558689       3.70307859       0.07485154       0.47804599      -0.85475879      -0.77410654 
Hf       7.13493921      10.92910423      10.40596096      -0.48544017       0.14988485       0.58717034 
Hf       8.93555846       1.64757073       2.63018134       0.83703643       1.55624226      -2.55242845 
Hf       5.38025188       5.44340654       7.97601648       0.96609233      -1.34112401      -1.07320567 
Hf       8.96092062       1.60627548       7.72441041       0.20658339       0.36115913       3.19030362 
O      10.14142217       9.22716807       1.39722063       4.02712660      -0.20325752      -0.70248644 
O       5.45634415       7.44312042       4.03357710       0.84894705       1.72622151      -2.38487815 
O       0.15204233       5.17939214       4.21246328      -0.04942545       1.41540167       0.92644032 
O       0.29236174       1.76429760       4.28019265      -1.72067943       0.61899369       1.80471266 
O       1.79620541      10.83178000       3.53128022      -0.55547429       0.51841184      -0.02867856 
O       1.84513513      10.68753845       0.80531628      -2.82878761      -1.29479340       0.02193164 
O       1.51696918       3.44853171       1.44101807       2.60035365       2.45167913       0.28612956 
O      10.62716508       1.69449659       9.56730012       0.85246368      -1.84812467       1.97542006 
O       2.10495590      10.82338573       8.80559973       1.43950533       2.92048951      -1.34514787 
O       1.66457806      10.94474786       6.26789675       0.69516358       0.72519206       0.33142743 
O      10.91356281       1.95691602       7.08635855       1.30118991       0.07670726      -1.31480104 
O       2.25855869       3.71728556       3.69135657      -0.03769487       1.67557783       0.86727685 
O       1.60570435       7.29717872       1.19650324       0.29530621       0.46063378      -1.22201362 
O       1.67316110       7.11441380       9.21396920      -1.44409438       0.99018238      -0.01946523 
O      10.84448819       1.74774451       1.69923517       0.89748235      -1.56475713       0.60649767 
O       3.53325763       5.00242162       7.23244629       1.42363838       0.75234881      -1.66568678 
O       3.87749570       1.93627185       6.40482176      -1.13488082      -1.09840917       3.20534284 
O       5.69667431       3.61716021       9.02995677       0.00113204       1.04302208       0.41598940 
O      10.80810276       5.63346246       1.40840404      -1.47573505      -1.36731063       2.10618502 
O       1.74288607       7.18264952       6.64654775       0.67150151      -0.77254591      -2.50053732 
O       0.10968117       9.02238334       6.46798884      -1.01840715       1.08372959      -1.51665384 
O       3.92881492       1.83018862       4.16257171      -1.42612891      -0.26974151      -2.15652390 
O       5.45748040      10.91697056       3.51678311       0.87038550      -0.82164307      -1.35307293 
O       5.16887788      10.92509422       0.86657918       0.21280136       1.07570109      -1.16106241 
O       3.22949727       1.87962451       1.58800268       1.79178231      -1.58160097      -2.85468482 
O       3.68495977       2.04983210       9.41061644      -0.48611355      -1.44050039       0.13850778 
O       5.34386503       0.25196072       8.45627722      -1.84180635      -7.73002690       3.02120735 
O       0.19475813       9.50863812       9.00244668      -0.78030483       0.72380808       0.98746624 
O       3.96475301       5.70652540       4.21324238      -0.82140742      -3.52532858      -0.91052954 
O       5.80410172       3.54438400       3.53870319      -0.01361038      -0.81779196       1.22899208 
O       5.09793702       3.36748020       1.42664309      -0.77942750       4.40012667      -5.36210183 
O       9.58941101       7.09579123       7.03438487       0.40663216      -1.01475755      -1.37962347 
O       3.25446819       5.41457363       9.51593909       2.63949057      -0.72696452       2.32910048 
O       5.50396977       3.93576431       6.13575659       0.84039748      -0.83872632       0.84201040 
O      10.54375070       5.39873871       9.72916895      -0.11605275      -1.12609699      -1.51542670 
O       9.07465036      10.88099172       6.23481388       2.33596532      -0.79088190       0.43276679 
O       2.00585768       3.55495500       6.31366288      -3.62222726      -1.53734642       0.52080994 
O       7.01452893       1.65647347       1.30914194      -0.03502718       1.97747807       0.90720242 
O       8.78536540       0.29182971       1.08863940       1.48688442      -0.98216097      -2.12500284 
O       7.37920399       9.15083269       4.44235930       0.46233559      -0.71312477       0.42700793 
O       7.72162797       1.84562212       4.46458635      -0.17664727       5.45119609      -3.31681626 
O       3.64590415       8.99336834       6.73264318       0.64774454      -0.41070821      -0.24517315 
O       9.47803494       8.02557710       9.42280705      -3.97513824      -0.06227283      -0.27458308 
O       7.25179294       1.55564496       9.19211662      -0.74410719       0.72606711       3.69938880 
O       6.35465793       8.99701636       9.78464999       2.31342524       1.20578413       0.92832488 
O       5.25283229       7.16229623       9.03259286      -0.02557129      -2.43908558      -0.42430714 
O       9.23739287       7.38474652       4.30140377      -0.78612538      -0.63540892      -0.63440725 
O       5.48742008       6.54717248       6.25494148      -2.94762704       2.51008545       0.30464313 
O       7.16802293       9.33936912       1.81560709       0.98709310      -0.64429664      -1.22403506 
O       8.60316931       7.09905710       1.52505795      -1.05488381      -0.33619522      -0.64518231 
O       7.64158606       5.47164081       9.46808914      -1.17127535       1.90667405       1.16347204 
O       3.59761098       8.86387325       9.57088411       0.03618256       2.27981546      -1.43613612 
O       8.63368495      10.68196415       8.65637197       0.50692432      -0.80788468       2.11404136 
O       7.38816567       5.56949739       6.89685082       0.88099731      -1.55640932      -1.27435822 
O       5.70476225      10.50035990       5.94601863      -3.00839312      -1.20828052       1.45816891 
O       0.12202705       4.97983364       7.11850065      -3.86417466      -1.45381394      -2.26373411 
O       0.19867347       8.93982856       3.96582871      -1.20273557       2.04359545      -0.85916212 
O       1.74678509       7.26431631       3.59507027       0.80429967      -1.46870415       1.71622235 
O       3.56055045       9.17872787       3.95564464      -0.36534518      -3.77450861      -0.76862183 
O       3.47541006       5.24043503       1.38975047      -0.06609677       1.43610975       1.75694078 
O       5.49494937       6.86031458       0.97740181      -2.07999045       0.58016798       2.55341410 
O       9.10332462      10.95404567       3.81539094       1.62880148      -0.33087606      -1.10888101 
O       8.77165374       3.27895726       8.96253893       0.15105158       1.72169277      -0.78599222 
O       7.06384068       4.83125779       1.32383642       1.32542860       0.88613668       1.45810762 
O       9.26484915       3.35103503       0.97666650      -2.97967258       1.68023045       0.61670888 
O       9.29283253       3.68563587       3.53288488      -0.38910679      -1.78801166       1.62052048 
O       7.16121235       5.50463009       3.99819805       1.40499368       2.03779511      -1.57777590 
O       3.69545223       8.90153888       1.44383507      -1.06801311      -1.63317595       0.35900306 
O       8.99291553       3.40013073       6.30799295      -1.25733970       0.96893387      -0.33514705 
O       7.08680731       1.37999727       6.93944494       1.38594674       1.25180246      -2.51377063 
O       1.76945502       3.54236218       9.18075910      -1.49211685      -1.04383332       1.04482657 
O       7.33077080       8.24739249       7.18443372      -0.89532003       1.89425376      -0.05643583 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017033177114002238 -0.002356126116804213 0.00042742074195169786 -0.002356126116804213 -0.002683273163637466 0.005015268083232788 0.00042742074195169786 0.005015268083232788 -0.021536912211819987" pbc="T T T" energy=-1062.80962945 free_energy=-1062.80963614 config_type=crystal 
Hf       1.64810199       1.88887389       2.96118158       1.76270268      -1.60365262      -0.77208367 
Hf       3.26005104       7.20999734      10.45527803       2.92969249       2.41502854       4.50687942 
Hf       5.18372699       5.51549538       2.27835262      -0.37686032       0.45973639      -0.55485943 
Hf       9.13314214       5.16578621       7.63729597      -2.84575055      -0.03366631       0.76233031 
Hf      10.89113884       7.28230770       5.05694158       0.87582960       2.84954636       1.12734523 
Hf      10.77638361      10.60541424      10.47995006      -1.08046583       0.01347312       0.39788527 
Hf       7.32236525       3.63294463       4.87562710      -0.47853554      -1.41841393       0.06354831 
Hf       7.12999334       7.23612805       5.16445253      -0.64191790       0.98799507       2.06564624 
Hf       1.62017920       5.59216437       2.46281934       0.16515679      -1.64279535      -0.51935608 
Hf       0.13508222       3.98862120       5.18007801      -0.54243780      -2.12263775      -0.16103568 
Hf       0.33448591       3.23285901       0.19991799      -3.69222274       1.80663991      -2.88720105 
Hf       1.85567294       5.46070836       8.18566936       1.73352096      -2.58890390      -3.52300210 
Hf       9.23455625       8.85859399       7.75982900      -1.91918703       0.24357497       0.64304435 
Hf       1.63541636       1.51298701       7.99473224       1.54531731      -0.98007374      -0.45761990 
Hf       7.18852763       7.02889038      10.29457138      -1.56144788       2.33415030       0.79316060 
Hf       8.85308411       9.18159889       2.40434644       1.20062483       0.42181332       3.26495684 
Hf       5.35973918       9.26476052       2.68578982      -1.08263546      -0.35647736      -0.86554190 
Hf       5.42359448       8.95047615       8.08657179      -0.13523515       0.81932044       0.92603660 
Hf      10.89635466       0.04121165       5.51611321       1.87310846      -0.45264369      -4.28643780 
Hf       3.66636295       3.87914742       5.40556693       2.13328369      -0.31388245      -0.65887302 
Hf      10.54388316       6.95622592      10.26640548       1.34242109      -1.35160448       1.29165496 
Hf       1.92935050       8.69693240       7.72244510       0.31449654       4.33163304      -2.64297293 
Hf       7.36872283       3.37794154      10.52957410       0.01523568      -0.90289805       0.35968639 
Hf       8.86850873       5.61988688       2.32871027       1.67879270      -1.51415773       1.62154774 
Hf       3.60431222       7.23685970       5.01925200       1.50662060      -0.90836884       1.74622473 
Hf       3.14542969      10.75656103       0.09166205       7.47863385      -0.97685571      -1.54495600 
Hf       7.52336205       0.08507575       5.03152158      -2.57008522      -1.90775137       1.63470295 
Hf       5.02606555       1.96400773       2.90132011       2.33335593      -0.27852984      -0.60231174 
Hf       5.44074040       1.71636444       7.57851324       0.48394644      -2.66260616       0.43437833 
Hf       1.64877019       8.93138017       2.50786886       0.83834816       2.99850903       1.46253914 
Hf       3.55909703      10.83896647       5.35628154      -1.50530206       0.12124594      -1.30739614 
Hf       3.59923718       3.32353788      10.41619275       0.75049817      -0.16938910       0.97804171 
Hf       7.07702480      10.90173143       0.11406118       0.68004210      -0.99941023      -2.38268353 
Hf       8.78667902       1.85770812       2.44549492       0.39822148      -1.26750166      -0.99909873 
Hf       5.53661394       5.24004609       7.96135792       1.27308255       0.91700804      -0.88813850 
Hf       9.14366418       1.49927360       7.94746135      -1.52361291       0.63773537      -0.43552799 
O      10.74439768       9.51053504       1.91455745       0.18069642      -0.09507445      -3.16246213 
O       5.60061144       7.46964501       3.71787943      -1.64437189      -3.56973232      -0.77935454 
O      10.91501141       5.64002313       4.03789673       0.32831339      -2.24628164      -1.96655356 
O       0.29196732       1.88802677       4.58690626      -0.78528283       0.63230620      -0.90452905 
O       1.96511209       0.08702942       3.61307377       0.45191834      -2.45596753       1.02257449 
O       1.60693032      10.89231869       1.04443732      -4.16469401      -0.77050749      -0.11462189 
O       1.93633463       3.24234745       1.13515956       4.47297893       1.65501804       0.35233467 
O      10.90509766       1.61306886       9.43124775       1.25734333      -0.95927128       2.07080384 
O       1.95471715      10.54405736       8.79505810      -1.10236094       0.16555243       1.69882622 
O       1.70777154       0.15846693       6.29900677       0.63388134      -0.58932900       1.24379293 
O      10.88820767       1.85772116       6.90059244       0.75311522       0.23350115       1.30167984 
O       1.60452822       3.75586777       3.51541378      -0.68297831       3.51649970       1.86679425 
O       1.35873376       7.55720032       0.95299816      -0.30204997      -0.40829767      -1.19468017 
O       1.90550619       7.31792380       8.98939682      -0.77894583      -1.17132452       0.85644205 
O       0.14426346       2.09937229       1.75169013      -4.58697562      -2.15007529       0.33108733 
O       3.76275526       5.25807649       7.08062357       1.78224051       0.47046910      -0.05380761 
O       3.49287688       1.55093717       6.99195209      -1.20761267       2.42725398       1.39175417 
O       5.30401182       3.21391685       9.14330793       0.71458240       2.15165465      -0.93256359 
O       0.01608472       5.39492547       1.13440224      -0.34013583      -0.61662054       1.37959174 
O       1.92554527       7.12835092       6.28387787      -0.37977465      -0.32803490      -0.01673803 
O       0.19003522       8.99970256       6.94752659      -1.58091961       0.39122115      -0.42016243 
O       3.50020765       2.12838531       4.43123127       1.15028412      -0.00512173      -1.04405487 
O       5.30202791      10.84273731       3.92101280      -1.08602967       0.23088080      -3.52013147 
O       5.44934951      10.63122450       0.93315998      -3.90963646       0.73423501       1.31799023 
O       3.55640536       1.34093102       1.87858934      -0.60367999      -0.17238373      -0.92370654 
O       3.51126050       1.44894623       9.75691330      -1.29173908       1.55794217      -0.19076790 
O       5.47018991       0.01827757       8.74474987       0.57182630       0.04516134      -0.66168560 
O      10.70347790       8.64517812       9.40755071       0.37491689       3.27028927       0.68985446 
O       3.71130381       5.25080105       3.88209440       0.17893283       1.14892468       1.29874387 
O       5.95137217       3.92251642       3.36118561      -0.93337743      -1.22504377       3.02207316 
O       5.01539605       3.54958985       1.30753717      -1.67142485       0.84042258      -1.63950853 
O       9.26179067       7.43652403       6.06074795      -3.08496139       2.27922360       0.47411825 
O       3.37956040       5.47567612       9.48121968       1.66789249      -1.64042312       0.55937738 
O       5.67375699       3.69124918       6.25106913      -0.53946791       0.12612701       0.26820344 
O       0.19161211       5.37625984       9.17753926      -2.66977135       0.03681277       0.23598051 
O       9.21497985      10.93865337       6.45010077      -1.78176822      -1.20482479      -0.95489062 
O       2.02892882       4.27106118       6.23762429      -5.55301304      -1.27361825       0.28761535 
O       6.92453186       1.86251244       1.47438186       1.29816064       0.47775143      -1.00325398 
O       9.10632909       0.28350775       1.01711973      -0.26872117      -1.26135943      -0.98417141 
O       7.13216953       9.10685344       4.09545829       2.31113923       0.73217935       2.14655590 
O       7.15232923       1.57355846       3.78894376       1.04287285       1.88504524       1.09023320 
O       3.67715067       9.09544616       6.73048911       0.02814933       1.09356581       1.65593448 
O       8.73719165       7.08038654       8.83077568       2.78323461      -0.41811890      -1.11290602 
O       7.63318555       1.58831444       9.58040632      -0.27141565       0.58751964      -0.63085514 
O       7.30006289       9.07582747       9.77999353      -0.28694590      -0.36223736       0.08467439 
O       5.63446877       7.01111373       8.95880348      -0.99099376       0.24050342      -1.39700466 
O       9.48191293       7.46301038       3.20215780      -1.36594702      -1.44218313       0.38824752 
O       5.29710023       7.32851168       6.29522125       0.61527000      -0.55678547      -0.83748533 
O       7.05941676       9.16041075       1.70916690       1.67962195       0.30328396      -1.58277877 
O       8.95408780       7.25824603       0.73871231      -0.76785102      -0.93504289       2.08354999 
O       7.35413995       5.15210271       9.57164377      -0.92992615      -1.14307252      -0.75103421 
O       4.09629677       8.98099902       9.97603906      -1.17145570      -0.10194378      -3.48107429 
O       9.36957361      10.66847972       8.77178367       1.06502190      -1.00636721       2.32889628 
O       7.33808832       5.95981431       6.91045009      -1.06569269      -1.85357415       0.81315023 
O       5.23461772       0.57387922       5.91773986       2.17453541      -0.48534060       1.87105356 
O      10.63251895       5.58636897       6.54677460       3.22135087      -0.98346749      -0.36408806 
O       0.14608665       9.15580397       4.38781712       1.17163022      -0.08151138       0.13327793 
O       1.98356375       7.23188250       3.49058284      -1.20687925      -1.35659419       0.89484267 
O       3.36969912       8.92817346       4.31080512       0.50281895       3.04850406      -1.37742699 
O       3.32098831       5.86486918       1.35401492      -0.19442176      -1.45538375       1.21064988 
O       5.55832830       7.11196612       0.87637253      -0.10161084      -1.84819816       0.73228785 
O       9.13392594      10.77289128       3.80377972      -0.08145969       1.80581717      -0.83685699 
O       9.14841733       3.38458011       8.54401834      -0.44420966       1.74768013       0.42172442 
O       7.09954892       5.02838932       1.68332419       2.22998728       1.66394451      -1.25741582 
O       9.22184740       3.57754518       0.66780009      -1.35073421      -0.66569740       0.57728228 
O       9.07629519       3.53938050       3.34657796      -0.11864650       1.49264246       0.21218418 
O       7.84311719       5.50626265       4.47016487      -0.28490034       1.82176431      -2.75231319 
O       3.62521999       8.65834581       1.56510898      -1.94389762       1.63383032       2.11378761 
O       8.93237881       3.76528522       5.95407265       2.35110138       0.05637682       1.05974902 
O       7.24678649       1.51516331       6.51033977       1.89922332       1.44449637       1.75114356 
O       1.91113331       3.56578019       9.27416909      -1.20780357      -1.25788300      -2.36839464 
O       7.11496620       9.30961493       7.29234708       2.51934111      -0.69195298      -2.47548243 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015527175928692719 -0.0004891265543549741 0.0018713209461906537 -0.0004891265543549741 -0.0033328411616278157 0.0011553527032966678 0.0018713209461906537 0.0011553527032966678 -0.012406138650353723" pbc="T T T" energy=-1063.90882362 free_energy=-1063.90882466 config_type=crystal 
Hf       1.61632411       1.84715826       2.90201461       0.36626285      -1.29990393      -0.37685130 
Hf       3.30596752       7.18046818      10.46363529      -1.87496555      -1.78567678       2.92933419 
Hf       5.15948388       5.48347427       2.28991474      -0.92538175       0.94275943      -1.06067475 
Hf       9.10538238       5.12680783       7.71602094      -1.82438338      -0.40645944       0.30707167 
Hf      10.92184423       7.24405297       4.99369414      -1.34015376       2.29953271       1.58212293 
Hf      10.73407559      10.56296435      10.49807219      -0.33182506       3.14495438      -0.97041178 
Hf       7.33882774       3.70045046       4.83255489       1.78960239      -0.01719543       1.45350593 
Hf       7.13185674       7.24611434       5.13869411       2.46604970       0.31670977       1.78108863 
Hf       1.58640601       5.59144664       2.46277119       0.56703160      -3.10903819      -1.21539020 
Hf       0.09166677       3.95273208       5.20620898      -0.59599478      -2.21174478       1.23916376 
Hf       0.34985105       3.29617614       0.24032212      -3.53814386      -0.20089798      -0.55262164 
Hf       1.86691401       5.38027412       8.18014643      -0.66194387      -2.49580471      -3.21128033 
Hf       9.23816483       8.84638024       7.74698173      -3.14002452      -0.99781957       1.75765756 
Hf       1.64140250       1.48466553       7.99624134       1.11545103       0.97321412       2.59365670 
Hf       7.21992829       7.04798954      10.26922355      -0.42378082      -1.49102795      -0.68638626 
Hf       8.87194026       9.18580643       2.44738741       3.76458108       0.50497922       2.47822044 
Hf       5.36055201       9.22503636       2.65034126       0.10608498      -2.65644270      -1.41017789 
Hf       5.52558771       8.95448331       8.03322186       0.79022361      -0.44608395       0.57400519 
Hf      10.91134006       0.06634691       5.61716503       0.64017314      -0.59482669      -4.84809309 
Hf       3.68274853       3.89987924       5.39980602      -2.05221603      -1.40901380       1.13093339 
Hf      10.53423892       7.04738904      10.31959874       4.04728268       0.21542099      -1.00677298 
Hf       1.92963799       8.90484814       7.69384417      -1.94329456      -2.68745946      -0.77510845 
Hf       7.32580587       3.40490809      10.53818465      -0.73087324      -1.47142292      -1.37053424 
Hf       8.83054224       5.59215341       2.29304274       3.05528748      -0.82841780       2.75853334 
Hf       3.63526938       7.19219449       5.08445358      -0.57315670       2.91243686      -0.24470272 
Hf       3.26046955      10.71770645       0.18292647       2.60328709       1.15536215       0.19219743 
Hf       7.51794869       0.04909449       5.10547795      -1.58252689      -0.62037670       1.13262372 
Hf       5.01278162       1.99506602       2.86629809       3.12908729      -1.06543267      -2.58008671 
Hf       5.43988879       1.70077581       7.53010102       1.09285947      -0.26534200       2.06291213 
Hf       1.71176621       8.96070862       2.49566603      -4.52131617       3.36544625       2.57911624 
Hf       3.54409388      10.90590665       5.32432205       0.41847222      -0.93477813      -3.57620648 
Hf       3.56730997       3.35592118      10.41972753      -0.87790750       0.76572168      -1.24734847 
Hf       7.08607829      10.87398054       0.08549415      -0.42394978       0.26068650      -0.92637240 
Hf       8.85261683       1.83592256       2.49017987       0.12116007       0.20559705      -1.70082127 
Hf       5.47224164       5.27583682       7.94330031       4.93763943      -2.21895015       0.44791792 
Hf       9.11016675       1.48673972       7.90465136      -2.28439781      -0.67101457       3.03677807 
O      10.64337952       9.60806930       1.47502980      -1.25537830      -3.66404644       3.97084814 
O       5.38258551       7.31922241       3.72107844      -0.64427756      -2.21502250      -1.40274965 
O       0.10468732       5.46618527       3.95049085      -0.90736622       1.56728644       0.25500469 
O       0.07024056       1.87782378       4.61357357       0.03822737      -0.09333816      -0.43598653 
O       1.95438880       0.10119268       3.76570441       0.32740786      -0.17900021       0.72981812 
O       1.62447198      10.87256655       1.23384025       0.77623577      -0.60085739      -2.09161506 
O       2.02383538       3.43374987       1.24753795      -1.03513662      -0.30806580      -0.67076870 
O      10.83612821       1.48384186       9.63255538       1.72905496       0.85968502       0.20818911 
O       2.12425435      10.44298552       8.82983512      -0.73831623       1.71907586       1.33155965 
O       1.85398418       0.23828128       6.32814904      -1.76142609      -1.62444725       1.46950153 
O      10.85890475       1.86554517       7.06552475       1.69699213      -1.24787878      -0.40314929 
O       1.66514503       3.66940171       3.67856266      -0.22302471       0.99875302       1.10486660 
O       1.26171137       7.52196999       0.96913638       0.71302797      -0.30389578      -0.81509673 
O       1.87843414       7.19417928       8.86883930       1.26562165       3.76425245       0.23940754 
O      10.79945717       1.76862248       1.93015232       1.05993020       1.75389750      -1.01661420 
O       3.82184513       5.16513794       7.10150700      -3.40962199       0.82341980      -3.76453840 
O       3.46767732       1.78815659       7.09292823       0.63303018       1.20233918      -0.49178630 
O       5.30672584       3.63331319       9.19932233      -0.34363749      -2.40038251      -0.99007994 
O       0.07465473       5.37222858       1.14835535      -1.60694248      -1.54990151       0.34296798 
O       1.71541959       7.06562005       6.21561100       1.50070321       0.33946012      -0.80447111 
O      10.89553340       9.00279007       6.84544057       5.01091225       1.79937098       0.06079774 
O       3.64097626       2.02872110       4.21625135      -0.08370945       1.26285426       2.69905385 
O       5.03824007      10.71102198       3.67028298      -0.63028621       3.48091163       1.50888751 
O       5.21504165      10.65462356       1.19169170       0.15550108       0.04074461      -2.54840122 
O       3.56465884       1.46442476       1.73891630      -1.29201437      -0.53410942      -0.59752411 
O       3.25476301       1.50604419       9.77697543      -0.36547652       0.09828622      -0.31313370 
O       5.45634448       0.02723716       8.94426566       0.36479272      -0.75123881      -1.40277178 
O      10.87710541       8.87654726       9.54403292       0.72413524      -2.90012953      -1.03080122 
O       3.62390648       5.18610280       3.87488900       0.87442208       1.33192472       1.79464626 
O       5.99781673       3.97130601       3.35814901      -1.66425173      -0.99936678       1.33223451 
O       4.82122954       3.58031080       1.17297647       2.47125259       0.75166193       2.42462456 
O       9.15590816       7.67773494       6.01122075      -0.98960909      -0.53306600      -1.62592096 
O       3.54162013       5.45673057       9.45058509      -0.51999364      -1.68099284       0.35779467 
O       5.62968681       3.72148489       6.24751436      -0.48577345      -0.41816606      -0.97518862 
O       0.22313253       5.55699868       9.20368044      -2.38607060      -1.34042363       1.53931558 
O       9.09480655       0.01060552       6.44831116      -0.03228871      -0.65138671      -1.32560786 
O       1.78727912       4.06886864       6.45291384       0.93218879      -1.39359037      -1.65205567 
O       7.08598166       1.86520236       1.34356480      -1.38422067      -0.40184769       0.97711067 
O       9.03970215       0.37239806       0.80390156      -2.10484227      -1.09620950       1.16128196 
O       7.06218315       9.07050560       4.10043766       1.34812008       1.34482381       0.66016107 
O       7.05215162       1.59889202       3.86214217       1.24785458       0.90625495       0.80877482 
O       3.69032876       8.88547453       6.65765250      -0.17904434       2.03242892       1.61955726 
O       8.97354522       6.96973302       8.67318077       1.08523128       1.54434076       1.81406387 
O       7.61967603       1.51784928       9.55645067      -0.86880467       1.17470994      -1.13700376 
O       7.34016974       8.90075750       9.70612304      -1.40210069       1.44581406      -0.85829606 
O       5.67961549       6.89445643       8.83751734      -0.12046872       4.87706012       0.78421395 
O       9.33888826       7.40458203       3.24492401       0.23893035       0.79833073      -0.39572388 
O       5.42223538       7.39273673       6.15417197      -0.86942911      -0.87775057       0.85745986 
O       7.22160621       9.26193672       1.54311833      -1.22841882       0.35457738      -0.17594111 
O       8.99166326       7.10685449       0.79687824      -2.52068993       0.09525499       0.63440349 
O       7.29889016       5.04567449       9.34017168       0.86027464       0.86081691       1.74424765 
O       4.03147527       8.68663946       9.68049610       0.99311900       4.07154493      -1.73762002 
O       9.35873385      10.44188422       8.94527999      -1.29525763       2.94396268      -0.95645256 
O       7.40926441       5.90442735       7.01913353      -2.15032002      -0.73487165      -2.48743087 
O       5.42030143       0.54456623       5.93280604      -1.22232251      -2.16952053      -0.02378394 
O      10.76418443       5.40104769       6.81697664       1.43027942       0.52534002      -2.75937881 
O       0.16973550       9.17590473       4.37349635       0.68521601      -0.64149289      -0.40428096 
O       1.95159250       7.20244142       3.39382057      -0.28647678      -0.14173488       2.71732079 
O       3.20956864       9.05084692       4.22815848       1.21399021      -0.95088273       1.20883371 
O       3.27177867       5.70714847       1.30179198       1.23512081       0.26641437       1.20057365 
O       5.71584161       7.01205770       0.91342799      -2.23516751       0.25412108       0.50836120 
O       9.21561091      10.83752368       3.79792973      -1.77288789       1.02150504      -0.44883793 
O       9.10832954       3.31259590       8.46576774      -0.17828364       1.43718638       1.53004886 
O       7.10228671       5.21027020       1.66341257      -0.21884031      -0.32595099      -1.80667745 
O       9.03055509       3.45430596       0.75186995       2.34903039       0.46380123       0.20861702 
O       8.97904644       3.81138084       3.28953392      -0.22381891      -3.57867594      -0.24518381 
O       8.20805914       5.66984022       4.39372323      -3.55142748       0.04503570      -0.44244306 
O       3.33984753       8.69021451       1.70305948       5.05287298       0.58506506      -2.81504417 
O       8.98710710       3.70352570       5.92232340       1.22826073       0.05093940       0.11906134 
O       7.21596682       1.71870059       6.58147797       2.61852756       0.08890847       0.82367503 
O       1.51159242       3.41618707       9.22843463       1.90570274       0.23435795      -1.05237544 
O       7.26134175       9.28019675       7.08533094      -1.04833006      -0.03904487      -0.87372380 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0009901053787739805 -0.0043070221038142365 -0.003307255880037867 -0.0043070221038142365 -0.004545268664801628 -0.00649282055108615 -0.003307255880037867 -0.00649282055108615 -0.0023267907992182333" pbc="T T T" energy=-1063.37985401 free_energy=-1063.37985836 config_type=crystal 
Hf       1.88662068       1.80467013       2.62183842       2.26487597      -0.91683377       0.68988884 
Hf       3.69346130       6.94138185       0.20482551      -0.68900892       1.91441872      -3.25528821 
Hf       5.41873976       5.30751620       2.49117124       0.72862914       1.22752120       0.85942029 
Hf       9.03721393       4.97154729       7.78308908      -0.00400052       1.70833576       1.60221825 
Hf      10.85681730       7.35892641       5.27427168      -1.24209348       0.50636348      -0.44215246 
Hf      10.82623264      10.75700738      10.20124334      -0.06910224      -2.84530900       4.76098940 
Hf       7.20871746       3.62517716       5.27207222      -0.04645225       1.65475691      -2.78429881 
Hf       7.26424389       7.18750379       5.25422379      -0.74389736       0.77389492      -1.37692460 
Hf       1.80052525       5.50502725       2.55908555      -0.68671540       0.90031129       0.38244107 
Hf      10.57193786       3.63595928       5.04421803       0.91694362       2.19180647       2.85873379 
Hf       0.11112397       3.73929156      10.53372951      -1.12164633      -0.37355101      -0.93967701 
Hf       1.71662191       5.45527287       8.11447122       0.78330589       0.62208045      -0.57055962 
Hf       8.85827824       9.01934765       7.73399351       4.72400407      -0.68365437       2.47419608 
Hf       1.86285361       1.53482034       7.94502699      -1.61429419       1.85211983      -0.66149050 
Hf       7.42552837       6.84036534      10.31554728      -2.88893180      -0.24514032      -0.61861907 
Hf       8.77362177       9.27144455       2.31782660       4.38321670      -1.08277736       5.17519899 
Hf       5.20991380       8.92478269       2.51685154      -0.39696324      -0.11489285       0.09469125 
Hf       5.57915138       9.00480608       8.03898969      -6.44136321      -2.73660625       1.68621147 
Hf      10.86055407       0.22970448       5.22364628      -1.13256832      -4.80404285       2.68836233 
Hf       3.34092691       4.08473808       5.22789310       1.73909997      -1.77217126       1.01236035 
Hf      10.87266921       7.26101855      10.42797277       1.66263784       2.59549401       1.44395548 
Hf       1.74286569       9.24209321       7.71727303       0.38919578      -6.94289765      -3.10387874 
Hf       7.18198537       3.34359097       0.07688508       2.87617964       3.06854890      -0.65179670 
Hf       9.01300928       5.56096179       2.54930400      -0.15356115       0.61562512       0.32563995 
Hf       3.56751715       7.42239167       5.29196790       0.22990486      -1.52319261       2.12023483 
Hf       3.40234559      10.51739385      10.54912955       1.84352912      -1.81330462       0.02980471 
Hf       7.11967081       0.05156945       5.48450926      -0.13107106      -0.68015636      -3.35953462 
Hf       5.47636208       1.86215604       2.76098426      -1.07469456      -4.06764623      -0.81170080 
Hf       5.27781964       1.62963959       8.04014145      -0.60203806      -0.75069452       1.23132841 
Hf       1.57273479       9.08091500       2.49156419      -1.49774257      -1.65767738      -0.33880026 
Hf       3.73490171      10.85454799       5.01287098      -1.59307147       1.09015659       1.48726664 
Hf       3.68950399       3.26972201      10.53460183      -0.46631370       1.57271666      -1.50770897 
Hf       7.24490907      10.65767053      10.58521394      -2.73815883       1.40892712       1.13201996 
Hf       9.28915011       1.85485069       2.22735053      -1.38680757      -1.48258502       1.55378529 
Hf       5.48007759       5.34525984       7.56765264       0.48607332       0.29342743       3.59401031 
Hf       9.01072802       1.61505354       7.85124860       1.48630244      -2.06802122      -0.42963227 
O      10.72903671       8.97909366       1.60980946       1.23473230      -1.09320162      -0.39342203 
O       5.68680569       7.37205465       3.96856163      -0.46497430       0.15652967      -2.54928388 
O      10.69472931       5.48252209       4.36913782       0.05496608       0.46733249      -1.85519501 
O       0.15243094       1.95041539       4.32947624       1.15317206      -1.57053605      -3.31122170 
O       2.14863725      10.78320339       3.21779965       0.10014132       2.93656841       1.96486664 
O       1.61063915      10.64425272       0.88549306       0.47571180      -0.47763197      -1.79476743 
O       1.86716764       4.01641186       0.59745450      -0.13028749      -2.52425596       2.08864682 
O      10.93548029       1.36979647       9.29480275       0.60415138       2.57594876      -1.17219950 
O       2.05107791      10.70565858       8.74632296      -0.33918540       3.39453521       3.49898967 
O       1.80709382      10.84483933       6.10376341       0.25829824       0.98940171      -0.39027807 
O      10.87425356       1.62374187       6.85706859       0.38326775       0.24043696      -0.69725525 
O       2.04120118       3.63383196       3.62448315      -1.42395913       1.47784938      -0.60398143 
O       1.62103968       7.00646269       0.92541027      -0.96911105       0.54403600      -0.76521028 
O       1.22458028       7.41640290       8.43817837       0.48798197      -2.41822663       1.73703411 
O       0.25963058       1.60322347       1.40394592      -2.12750149       2.08074250       0.63017621 
O       3.61459859       5.59007933       6.96367885      -1.57377720      -0.42610318      -0.53387233 
O       3.56540527       2.02564936       7.04237245      -1.06074557      -0.21610767      -1.16682426 
O       4.96251790       3.49882029       8.65024594      -1.27005441      -0.11314562       1.48703929 
O       0.00617294       5.31636668       1.72002570      -2.82958860      -0.60440645      -0.57078433 
O       1.65317067       7.70170327       6.08603158      -0.07803277      -0.48248971      -1.09699930 
O      10.77067893       9.62473041       7.26622695      -0.60164930       0.73025022      -3.09197499 
O       3.62745348       1.89884495       4.16905178       0.34044552      -1.07440787       0.90290247 
O       5.02772045      10.65582729       3.55862311       3.02219901       3.45934345      -0.84503102 
O       5.28598471      10.89163931       1.06685622      -1.18054165      -0.89446155      -0.21722792 
O       3.63939651       2.02072552       1.59944480      -1.12252987       0.16294376      -0.31288464 
O       3.37171766       1.40957212       9.56841702       0.65059669       2.66645727       0.71957215 
O       5.24656546      10.51904393       9.30638240       1.16953755       0.95810675      -2.45674906 
O      10.76305366       8.99032992       9.37661267      -1.40004085      -0.52937789       2.03387659 
O       3.93135704       5.65698905       4.10479363      -0.55191906      -1.74298137       1.29462627 
O       5.45840081       3.57922868       3.53342579      -0.32903014       2.39580258      -0.18217269 
O       5.45433285       3.65915960       0.91844275      -2.15752405      -0.38163819       0.85934820 
O       9.07888277       7.50914533       6.33735726      -0.13180921       1.75178287      -1.44844407 
O       3.05602961       5.36026923       9.76303751      -0.23718182      -0.91303496      -1.99088939 
O       5.53407423       3.92128902       6.14778628      -2.34990157      -1.21031745      -0.76763515 
O      10.78619800       5.58263068       9.45994095      -0.59442304      -3.33990562       0.50754246 
O       8.79985515      10.88956282       6.35599713       4.16409053       0.69019864       0.60756624 
O       1.71055217       4.45005089       6.29807397      -1.18554962      -2.07812782      -2.06735528 
O       7.36443826       1.37291509       1.62316915       0.51035896       2.30401464       0.14602512 
O       9.18873727      10.64775765       0.95259234      -0.42965034       2.59390780      -1.73611024 
O       7.31424576       9.13471225       4.82497567      -0.34191886      -0.60367135      -1.54252916 
O       6.92542806       1.92970252       4.43374524      -0.65096215      -3.21006868      -0.54970221 
O       3.71451030       8.84676184       6.89443527       0.32717774       1.09091224       0.51656111 
O       8.56458326       6.93266975       8.64226271       0.31449124      -0.62387974       0.96917042 
O       6.57928890       1.83250954       9.82895102      -0.43640929      -3.62672180      -2.15158572 
O       7.36347665       8.86122858       9.65985915      -0.81858263      -1.05744286      -0.72603307 
O       5.12204570       6.74307968       9.22109371       2.29758266       1.02350379      -0.39858450 
O       9.11055164       7.46550988       3.53804526      -0.64399631      -1.88145748      -0.17700036 
O       5.42898603       7.07799474       6.57846869       2.76348939       1.66511327      -1.67698726 
O       7.07956386       9.18135797       1.54149294      -1.97446537       0.47299483      -0.12159895 
O       8.95554297       7.40585019       0.91616974       0.03247099      -2.35757896      -0.90157728 
O       7.00934806       4.77338809       9.19074686       2.00678401       0.95892545       0.45159066 
O       3.33163392       8.71715290       9.55480084       0.01820046       0.53119612       0.87539210 
O       8.68867026      10.90693881       9.06376272       0.40444450       0.69154735      -0.34821807 
O       7.46426824       5.35334844       6.51733791       0.73795179       0.59721428       0.56917521 
O       5.30893139      10.90024481       6.32976295      -1.97893575       0.22201956       0.74028995 
O      10.56180619       5.72447954       6.82086059       0.12758045      -1.74797056       0.73321957 
O       0.01032691       9.32135450       4.21142631       0.84425608      -0.19995542       1.03099191 
O       2.15743689       7.22554806       3.59603984      -2.35777746       0.12339220      -0.59714697 
O       3.79967512       8.99942132       4.31757569      -0.77281005       0.57630283      -1.69114609 
O       3.46973266       5.41687516       1.63731422       4.05272682      -0.16200119      -0.07880874 
O       5.47188743       7.28485015       1.10176047       1.04803248      -1.32424348       1.06444022 
O       8.71302337       0.01377739       3.66807406       1.69431576       1.42677924      -1.19943334 
O       9.26498402       3.14410928       9.03748603      -0.64264343       2.53384173       0.16912738 
O       7.19404562       5.17476213       1.21299966       1.40853739       2.68999414       0.99019598 
O       9.10034218       3.62415803       1.09392796       0.67180752      -1.65805597      -0.61305643 
O       9.04221907       3.45393718       3.65820589       0.81553264       0.10885171      -0.35479820 
O       7.22546491       5.32925598       3.78343879       1.23757486       0.32877116       1.48427533 
O       3.36070929       8.62236115       1.48171683       1.58924575       2.13385625       1.57339253 
O       8.98306094       3.23873745       6.32506876      -0.18854500       0.90613089       0.22926288 
O       7.03346627       1.43100939       7.10681162       0.97170358       2.18451537       0.90284682 
O       1.30227486       3.47668501       8.82941389       0.43102004      -0.37180651      -0.45421143 
O       7.13103350       9.30870186       7.11704171      -0.74294679       0.69074248      -1.60485126 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004158333403138372 -0.003352394330481545 0.005203174170546479 -0.003352394330481545 -0.030157567700541 0.0028673240205603183 0.005203174170546479 0.0028673240205603183 -0.005662810093602385" pbc="T T T" energy=-1061.23715026 free_energy=-1061.23715232 config_type=crystal 
Hf       1.96394966       1.73864566       2.41302492      -2.67672921      -0.20027047       0.81078109 
Hf       3.51628218       7.20961377      10.38273553       4.83713964       3.59968134       0.82410946 
Hf       5.61500916       5.18293487       2.58702324      -2.54256705       3.46260759      -1.96074360 
Hf       9.10839386       5.30866604       7.97797222       0.58547164      -1.57996329      -0.43204530 
Hf      10.68739153       7.15102108       4.94838665       2.64357951       0.47194640       1.34657477 
Hf      10.92413393      10.74636088      10.52288283       1.96591378       0.23609479      -0.82711837 
Hf       7.15627284       4.01354829       5.42506371       0.30679212      -2.79344520      -2.02877483 
Hf       6.84517568       7.08317956       5.34474429       0.79424436       0.66929568      -1.61602119 
Hf       1.67161214       5.27269409       2.69753444      -0.66401565      -0.15321695      -0.74664539 
Hf      10.55351315       3.35710487       4.94124183       3.46095203      -0.87600474       2.22272426 
Hf      10.85052462       3.58482949      10.53076444      -0.97303146      -1.69775074       1.36142047 
Hf       1.68704366       5.56106708       8.09675406      -1.18432710      -0.82416780      -4.06772438 
Hf       9.03015027       8.85219360       7.86691777      -0.07725421       0.15532826      -0.72328487 
Hf       1.98123144       2.16616740       8.19432583      -2.12928309      -2.09755911      -2.34795729 
Hf       7.28740915       7.07415126      10.62020971      -1.08378872       0.88169350      -0.96118272 
Hf       8.79742828       9.01190513       2.55628757       1.85043368      -2.13864999      -1.98384793 
Hf       5.20730934       9.01929769       2.55309165       0.72349075      -2.85457315      -1.92703592 
Hf       5.27023809       9.33090057       7.94517250       0.19492709      -1.61016646       1.52680290 
Hf      10.77333269      10.91098081       5.23112081       2.01226498      -0.43264391      -0.20996049 
Hf       3.38287711       3.84247145       5.49298291      -0.00444752      -7.34473853       3.35813025 
Hf       0.09986098       7.08107852       0.00465901      -1.16585073       1.52186879       1.19288406 
Hf       1.78056309       9.09727297       7.65988398      -1.39670134       0.89013058      -1.01364768 
Hf       7.02897354       3.14851961      10.15731060       3.19721239       3.52857692       1.96808391 
Hf       8.92376038       5.45757341       2.55618426       1.71958758      -0.80370599      -1.28244691 
Hf       3.51067173       7.14202905       5.11935284      -0.32908929       2.25348729      -0.58640985 
Hf       3.72089381       0.16496383      10.30536066      -0.45469485      -1.81493409       1.60556855 
Hf       7.38171708      10.52531186       5.27348524      -2.67669075       0.59750480      -2.01105307 
Hf       5.56940722       1.41511618       2.56695207      -0.27202726       1.78777994       0.16837901 
Hf       5.58534283       1.98100147       7.49325038       0.00852833      -1.15974787       0.35065856 
Hf       1.70900562       9.04794686       2.63048650      -1.06459547       2.91337292      -0.29070230 
Hf       3.64541858      10.92048426       5.16064491      -0.62996058      -0.43001039      -0.88754343 
Hf       3.59602664       3.79752325       0.20591147       0.17658746      -0.19935991       1.54035416 
Hf       7.51037952      10.80660201      10.52139498      -1.57703371      -1.49326450      -2.68381519 
Hf       9.03013219       1.75348665       2.31772445      -1.53755209       1.71388767       0.29450579 
Hf       5.31632954       5.44514131       8.00141703       1.51856629       0.85645376      -1.16286023 
Hf       9.04472536       1.54685189       7.78186557       0.49026002       3.11810498       2.53286364 
O       0.09412091       8.65165399       1.40026318       1.32957022       2.40689104       0.70232359 
O       5.23180838       6.91747400       3.58434125      -0.24139817       0.46390737       0.66582556 
O      10.79768953       5.41744509       3.97709077       0.79384985      -0.88141277       0.30450165 
O      10.23134398       1.38913074       3.88922869       1.40812769       0.23481467       1.82088303 
O       1.68389798       0.09854856       3.43502070       0.45611041      -1.27627597       2.31201885 
O       1.89589866      10.78660885       1.16798871      -1.37440083       1.11763192      -3.24541825 
O       1.85008625       3.53276154       1.18926754      -1.98609800       1.10364240       0.23065280 
O       0.04249997       1.65454433       9.45953822       1.21894758       0.45211119      -0.49401971 
O       1.76371605      10.63122187       8.97170751       1.28928149       1.95640511       0.58408694 
O       1.83485851      10.71088810       5.96559874       0.33890834       0.09760950       0.92289877 
O      10.54917567       1.86490238       6.52516330       0.43127957      -0.94327667      -0.02285229 
O       1.40076886       3.16559837       4.06645557       2.42790747       0.03289824      -2.46168403 
O       1.95926542       6.55649911       0.64934814      -1.29722320      -0.04510706       1.47298988 
O       2.10830942       7.48220474       8.82296241       0.45444725      -2.43969832       0.06278907 
O      10.75244366       1.96470124       1.32738927       2.94051677      -0.45356321      -0.54548596 
O       3.67403609       5.09503707       6.98931057      -3.82154120       0.47607623       1.84419232 
O       3.59542745       1.86697712       6.95795194      -1.94404605       0.69176469       0.80229543 
O       5.65210344       3.57769560       8.68208671      -1.26098305       0.02775218       1.52983688 
O      10.85599911       5.42764381       1.30689178      -1.07853160      -1.86528146       1.16411820 
O       1.73735898       7.23767712       6.06036457      -0.38050102       0.54371464       0.17532331 
O      10.87790147       9.74036826       7.07947999      -1.68887172      -0.92231625      -0.28970871 
O       4.06554580       1.63259979       4.26626430      -0.88746303       1.59027843      -1.62954345 
O       5.59669796      10.70752745       3.47745772       1.94461977       1.22069060       1.94409181 
O       5.01323826      10.79008836       1.20222068       1.08766526       0.12314944      -0.91845960 
O       3.65407109       1.87844466       1.54957438       1.87446844       0.19314527      -0.31075688 
O       3.27635860       2.15110027       9.68481828       1.60702388      -2.68111072      -0.38290366 
O       5.40055609       0.12705838       9.10481692      -1.74281086       0.37746422      -1.32996599 
O       0.13064767       8.66553064       9.34314301      -2.28155888       1.66001039       0.36680920 
O       3.06284829       5.17476684       4.38924746      -1.46915564       5.84846237      -3.69221785 
O       5.63420254       3.81082197       3.81274592       0.69789742      -3.09727845       2.03538028 
O       5.53561826       3.44045122       0.79105131      -1.25164171       0.92306355       1.14262239 
O       9.16740408       7.85793025       5.94519978      -2.45989903       0.76062688       2.56533940 
O       3.73573711       5.41837745       9.53454431      -0.04937852      -1.38241510       0.09233884 
O       5.38249480       3.64848681       6.25243357      -0.11342173       0.15257871      -0.28326772 
O       0.04107689       5.44613612       9.37711277      -1.54909406      -0.29806331      -0.13907858 
O       8.58140423      10.94032492       6.77636951       0.00620525      -2.55541410      -1.50051392 
O       1.50053650       3.89328165       6.54519141       1.12613453      -0.91907473       1.53934398 
O       7.25401077       1.44290914       0.91676124      -2.00032347       1.49141005       2.60208099 
O       9.10391953      10.84631006       1.16626469       1.56408952      -2.25661387       0.87209757 
O       6.58223168       8.81519618       4.61783995       1.14724583       2.26470227      -1.89324836 
O       7.49014039       1.66244865       3.68141973      -1.86948644      -0.63047480       0.19411217 
O       3.70334482       8.67115732       6.70384667       0.39350945       2.18470411       0.92185564 
O       8.65161806       7.05127086       8.72901321       1.14322317       2.57599298       0.08717058 
O       7.04061035       1.62188242       9.04511871       2.06428401      -2.39509653      -1.46059661 
O       7.21468442       9.08259872       9.51363494       0.43431999      -0.56262791       0.15630872 
O       5.29187553       7.29545578       8.58904639       0.35491148       0.38414611       0.88787556 
O       9.10150176       7.26342942       3.51933014       0.04563329       1.07127424      -0.61252519 
O       5.07525218       6.53738166       6.04099215       1.81780059       0.53313787       0.66966738 
O       7.03564355       8.75034619       1.51746279       1.92236172       2.11678705       1.42721295 
O       9.16574205       7.46270339       0.96370103      -1.64075519      -1.82974109      -1.61410578 
O       7.32788171       5.27137882       9.46120314      -0.98051557      -0.16045105       0.65364177 
O       4.03609092       9.15545130       9.58521456      -1.65658739       0.13623143       0.74224456 
O       9.12990519       0.07088192       9.27511019       0.54113956      -1.47486940       0.05349267 
O       7.19733527       5.58679790       6.63126548       1.08793286      -1.00088682       3.01190027 
O       5.31133284       0.33797584       6.19673527       2.84710502      -2.55215438       0.94253573 
O      10.81790860       5.93100639       6.91872774       0.95713826       1.49580934       1.78274193 
O      10.91313060       9.24211907       4.20932092       2.19496277      -2.40440664      -0.29855353 
O       1.32390617       7.24484476       3.42599051       2.42789454      -1.10676501      -0.63412243 
O       4.00937329       9.14973796       4.12801290      -3.78320661      -1.15506958       2.37839687 
O       3.66492914       5.07453610       1.99740646      -0.68536830      -0.58227408      -1.20084297 
O       5.41914831       7.03710892       0.97417580      -2.96165627       1.06756067      -2.94510060 
O       8.99943665      10.29907791       4.01159835      -3.68686048       0.63178771       1.31601201 
O       8.97224058       3.37991526       9.03419519       1.66959292       0.74893360      -0.89221466 
O       7.08236618       5.74526811       1.51768696       5.55939084      -1.40246912      -0.24211796 
O       8.68258924       3.37790308       1.03958295       0.71450829       1.87617935      -0.52267168 
O       9.45202649       3.61357114       3.48500687      -4.30788321       0.65990895      -3.53578698 
O       7.48016342       5.56326222       3.97782789      -0.70335874      -0.86746440       1.98355700 
O       3.46624011       8.80996348       1.68863125      -1.73194894      -1.73192294      -1.02094783 
O       9.41409222       4.32097946       6.21290230      -3.63611226      -1.11857919      -0.17052534 
O       7.37407549       2.30440123       6.61215231       1.79756460      -0.23602800      -0.44140482 
O       1.66722382       3.69006976       9.30785441      -0.62100624       3.04431374      -0.31482633 
O       6.98361055       8.85342440       7.02732594       1.05529657       0.28862698      -1.17819398 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02267176056523818 0.0006610614998683172 0.0046178131199453845 0.0006610614998683172 -0.004194131965703441 -0.00477173877133634 0.0046178131199453845 -0.00477173877133634 0.003822944349881753" pbc="T T T" energy=-1064.50414374 free_energy=-1064.50414883 config_type=crystal 
Hf       1.57877757       1.48830215       2.18169982      -0.90208880      -0.71940633       2.71460759 
Hf       3.22443582       7.22382918       0.00946279       3.40164203       0.55180470       0.61983699 
Hf       5.29819944       5.24656074       2.56824647       0.76159327       2.26369670       0.31075687 
Hf       8.95478602       5.78061436       7.85177229      -2.35624249      -4.62080726       1.03527166 
Hf       0.11662925       7.09709357       5.35361068      -3.41559732      -0.22094900      -1.19809771 
Hf      10.66180324      10.57028767       0.16804959      -2.19334129       0.65259293      -1.48151641 
Hf       7.57646721       3.53148144       5.40737269      -0.44742368       0.89005400      -0.16406400 
Hf       7.31750922       7.54519419       5.17596969      -3.26986248      -0.19929064      -2.36581744 
Hf       1.75904398       5.17612572       2.62718268      -1.64956742       2.11113719       2.40882953 
Hf       0.03268514       3.38893731       5.07362305       0.70505782      -1.88010953      -1.18750165 
Hf      10.86466027       3.54548573       0.03627316      -1.61806069       0.30706780      -0.48026796 
Hf       1.61344158       5.54971962       7.87406386      -0.51647903       0.75219046       1.09720785 
Hf       8.85179688       9.05420153       7.84583568       1.58640106       0.08756670       1.85288854 
Hf       1.89161651       2.13956404       8.12827170      -0.59215799      -1.00391617      -2.37243169 
Hf       6.95455283       6.92023163       0.17933887       1.29040653       2.01967960      -1.17991251 
Hf       9.05425303       9.02162858       2.89083737      -1.89833032       0.44505611      -1.28163352 
Hf       5.48675362       8.89747333       2.50697273      -1.38926542      -1.65959324       0.54974367 
Hf       5.52252431       8.79902863       7.97605145      -0.45304044       2.38323288       0.82966454 
Hf       0.13726290      10.91795847       5.10539993       0.42916549      -0.45315632       0.33047483 
Hf       3.56512885       3.32313382       5.38751794      -0.91343677      -0.19642734      -2.26324749 
Hf      10.67315815       6.97769311       0.02497422       1.71139170       3.86037276      -1.15036508 
Hf       1.73761316       9.16108422       7.61038271       0.56464006       0.96355022       0.50682513 
Hf       7.35537217       3.48228703      10.32210739      -0.04336691       2.24751052      -0.79943128 
Hf       9.03475726       5.37479108       2.41614230      -1.39508500      -2.94091417       4.78314040 
Hf       3.54652896       7.23167904       5.42266113       3.01002059       1.08297400      -2.77079264 
Hf       3.54238223       0.07780754      10.32210612       1.21470991      -1.68363298       0.39343340 
Hf       7.43828959       0.21460985       5.29473994      -3.71080888      -1.18896591      -1.54426111 
Hf       5.26550389       1.74202854       2.36293809      -0.55595242       0.66783881       0.31502940 
Hf       5.47549162       1.97503746       7.87711874      -0.76070296      -1.31914117       1.43129353 
Hf       1.58848951       8.84878804       2.53068593       2.10854548      -3.33750076      -1.01012793 
Hf       3.83094716      10.71222473       4.74944897      -0.42958578       0.78107607       5.45234205 
Hf       3.49023681       3.78100533       0.03323561       0.78700954       0.53261705      -1.09071841 
Hf       7.21895595       0.00998574      10.24856003       1.76689489      -1.84787412       0.00702971 
Hf       8.60356121       1.79871927       2.51203139       2.95432188      -1.12029625      -0.62081666 
Hf       5.12490587       5.60011864       7.69529843       4.40572557      -3.21948351       2.23072737 
Hf       9.45700578       1.77459383       7.81610530       0.19249741      -0.08113170       1.73118848 
O      10.85200883       8.95247036       1.29291400       0.06415679       0.38241632       3.38712970 
O       5.42360806       7.38299773       3.84814803       1.41189410       0.38343778      -1.32705407 
O      10.44769649       5.15977279       4.49984582       1.23320739       2.72685824      -0.45247219 
O       0.29640943       1.78197927       3.74236801      -0.15389769      -0.01893640       3.53372524 
O       1.39730195      10.48312940       3.37009802      -1.10508149       3.33304999       0.23722132 
O       1.66848102       0.20061039       0.63002962       0.19420534      -1.84711714      -1.35642469 
O       1.71183424       3.15004337       0.99768768      -1.02563607       1.70901752      -0.06048763 
O       0.02235155       2.03170036       9.30554803       2.04410226      -0.59424984      -1.43110521 
O       2.16599660      10.81689517       8.61748896       0.55404915       2.36524124       1.39395945 
O       2.00720987      10.52689906       5.77744524      -1.97039376      -0.16299376       1.01689527 
O       0.23884332       1.52665418       6.59089739       0.56457956      -0.28951176       1.22353333 
O       1.84746525       3.73336240       3.99597935       0.59382733       0.66362451      -0.67088384 
O       1.55991221       7.13209601       1.00676602      -0.38941052       0.72478066       1.14022991 
O       1.96552776       7.20784580       9.18376817      -2.12454988      -0.02517985      -3.50810903 
O      10.63161793       1.40625267       1.50896597      -0.24506211       0.29547264      -1.72237915 
O       3.39134927       5.46680636       6.88795902      -1.27711115       0.83823060      -0.90598946 
O       3.55080060       1.61534234       6.51897116       0.10778429       2.43362355       3.31989105 
O       5.92264028       3.74517800       8.69803223      -0.80165906       0.65167027       0.39019806 
O       0.00413874       5.38390231       1.46744420       0.76476223      -3.58574845       1.94138584 
O       1.85789098       7.27741881       6.51190011      -2.90213083      -0.25452738      -1.42682508 
O      10.92944802       9.43474056       6.75050936      -1.18728421      -1.17985756       0.86117918 
O       3.44718762       1.57903996       4.16255608       0.24393165       1.62714987      -2.54228886 
O       5.20592275      10.65811841       3.36660852       1.30454744       1.82342408      -3.53732165 
O       5.52146914       0.01160065       0.50085697      -3.59003466      -0.33632568       2.67561298 
O       3.46087079       1.51888692       1.37018917       2.91037326      -0.13593555      -0.07697721 
O       3.85595971       2.22241430       9.38755725      -1.80569593      -2.91801938      -0.88483280 
O       5.81397253      10.81916164       8.66486794      -2.04734736       0.81374729      -1.41321930 
O      10.57900897       8.83861090       9.55063587       1.51690812       1.71118437      -0.60809043 
O       3.64539821       5.78223245       3.91817252      -1.78107984       0.14055543       0.56306429 
O       4.83932809       3.65137569       3.39102907      -0.57218586      -4.08705293       1.67877032 
O       5.22059711       3.63104563       1.00127476       0.23948709      -0.43472706      -0.65353094 
O       8.76430446       7.35216174       6.37267126       3.45502256       0.09361386       2.52218476 
O       3.92818506       5.51775067       9.61409844      -0.05700895      -0.81546950      -0.91238368 
O       5.20951237       4.04411378       6.20736916       0.07745608      -1.56057717      -0.45724897 
O      10.84347432       5.33324188       9.68273297       0.11577514      -1.31006319      -2.00572920 
O       8.98307946       0.07198629       6.37942132       2.06778109       0.92641207       2.82922343 
O       1.54867289       3.75671708       6.58384717       0.72663768      -1.01365916      -0.08332865 
O       7.02835748       1.84506249       1.20259727       0.11799435       0.17528535       1.12332049 
O       8.84296690      10.60471438       1.14112328      -1.12492156      -0.58114120       1.05852223 
O       7.27556483       9.36870184       4.18074135       1.01466537      -1.37494662      -1.00927546 
O       7.10610345       1.91756481       3.91588112      -1.76282306      -1.18888420       0.32961374 
O       3.58138241       8.95900562       6.93476542       2.46238898      -1.35155145       0.37097587 
O       9.05487412       7.28722191       8.92614353       0.32321776       2.20245488       0.86938381 
O       7.18539378       1.73633723       9.34947301      -0.21397387       1.25298831      -1.61243891 
O       7.29849487       9.00304479       9.42257598       0.54396449       0.62654922      -0.03921672 
O       5.96243795       7.03105332       8.94298093      -1.84351953       1.09078518      -1.64149296 
O       8.73186462       7.03744669       3.79542118      -0.40688138       0.74384514      -1.07487513 
O       5.49916129       7.15963206       6.30713625      -0.89373111      -0.13860339       1.19791573 
O       7.22061545       8.35893816       1.73239180       0.40108996       0.88855608      -0.18991969 
O       9.33155103       6.94293574       1.40409632      -2.85552987       2.76358229      -1.63055736 
O       7.59201027       5.57519780       9.62691712       1.34899163      -3.66626795       0.54412791 
O       4.04497941       8.86840903       9.73019837      -0.19228352       1.61786985      -0.38101170 
O       9.18011347       0.17854478       9.35823673       0.68423365      -0.28076874      -2.59852751 
O       7.43734475       5.04328433       6.79024864      -0.30691878       0.92006376       0.54861294 
O       5.51041081      10.70625491       5.85933765      -0.97023871       0.38425994      -0.33084313 
O      10.73071298       5.78978793       7.04794790       2.48334863       0.37999204      -1.04944481 
O      10.26660750       8.80529338       4.48040974       1.39514831       1.29595828      -0.73145298 
O       1.15224197       7.13511319       3.61522444       0.72385199      -1.10440454       0.69190331 
O       3.25867562       8.91505771       4.24950715      -0.35791708      -3.21477583      -0.59678559 
O       3.15109920       5.24307181       1.37652097       2.12297203       0.50187043      -0.13499016 
O       5.19235615       6.84953562       0.96406125      -1.27213608       0.23710415       1.38435085 
O       9.05078370       0.16214749       3.81743203       0.54133432      -0.50837667      -0.78413782 
O       8.99036246       3.58035978       8.92668019       0.21498698      -0.88775325      -0.19972858 
O       7.17917614       5.05278197       1.54085424       0.25994096       1.71643061      -0.28388092 
O       9.10587167       3.40983818       1.03271385       0.03733905       0.72117991      -0.64131222 
O       9.08115286       3.34401782       3.61022414       1.25815778      -0.02839482       0.61025036 
O       7.35202972       4.91880872       4.17814500      -2.01267731       2.85145751      -2.17406199 
O       3.40173545       9.04965731       1.68555851       0.66885097      -0.46135466      -0.99644349 
O       9.41926542       3.17420333       6.31432422      -1.72278876       0.12042127       0.15193767 
O       6.78766381       1.89000915       6.54188080       3.06737432      -0.07914793      -1.46613344 
O       1.90637829       3.97523779       9.02143294       0.46710737      -2.27434907       1.59313385 
O       7.18884273       9.24489411       6.70171917       0.29522769      -1.32790654       0.85335719 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02022682024521026 -0.00373436855358213 -0.021058239642239573 -0.00373436855358213 -0.03267202473211872 0.010082174480822383 -0.021058239642239573 0.010082174480822383 -0.012840230460813874" pbc="T T T" energy=-1059.16086429 free_energy=-1059.1608692 config_type=crystal 
Hf       1.54204265       1.49084898       2.33680499       2.42581063       0.10519746       0.51924659 
Hf       3.38098468       7.19136085       0.13162624       1.26363631       2.57851273      -1.60043836 
Hf       5.34855869       5.29584291       2.65263733      -1.06612343      -2.01502934       0.24621786 
Hf       8.81167612       5.71676203       7.96425964       2.80564354      -1.76509608      -0.04128000 
Hf       0.17164141       7.16189184       5.24604212      -8.24535137      -0.04868522      -1.16551657 
Hf      10.65524312      10.63054862       0.18331528      -0.56181961      -0.43832428      -1.62168390 
Hf       7.57240418       3.56071019       5.36370302      -1.82486167      -0.55056902       0.29851943 
Hf       7.15866552       7.42420708       4.99211807       3.72662263      -0.29790911       3.08192946 
Hf       1.73861903       5.17005138       2.61930139       1.42712024       1.71760819       1.15875257 
Hf       0.12533642       3.32956861       5.07469105       0.55200699       2.10509124       3.04780624 
Hf      10.79749977       3.50226223       0.06622994       0.94199211      -1.31822768      -2.29094648 
Hf       1.65478580       5.55316671       7.89835144      -1.18095169      -1.99245751       2.54581473 
Hf       8.88019374       8.99707443       7.79213244       1.72144467       0.49427629       2.42537323 
Hf       1.87328197       2.20601952       8.06242185       1.91189026      -2.86507529       0.94346160 
Hf       6.99294013       6.86365911       0.21904445       0.69299674       5.60251086      -3.97607580 
Hf       8.97603562       8.98257175       2.82727170       0.71055457       1.16129782      -2.18150365 
Hf       5.52534285       8.82498164       2.48772436      -1.79213144       2.25816438      -1.35954765 
Hf       5.49086103       8.84688936       7.92827909      -1.10862513       2.86529914       1.78834875 
Hf       0.12866518      10.93243638       5.15850614      -0.69026025      -3.01360708       2.77875865 
Hf       3.54710284       3.36360989       5.29609450       1.65115662      -0.05743065      -0.08512235 
Hf      10.65181389       7.05501519       0.04671584       0.04876292       2.49169663      -0.62886092 
Hf       1.73359549       9.14158473       7.55354551       0.32726719       2.82892955       3.18143963 
Hf       7.32218327       3.44654056      10.34791780      -2.70073610      -1.55880869      -0.44893412 
Hf       9.04489135       5.25505800       2.50270221      -0.82824220       1.84886478       2.31983646 
Hf       3.49421713       7.29829821       5.36969905       1.99599746      -2.55007461       0.23684146 
Hf       3.58292885       0.13349448      10.27092153      -0.56969010      -2.66559861       1.19911277 
Hf       7.31050067       0.12976933       5.33458924       0.33135037       1.60602601      -1.37657619 
Hf       5.24049386       1.75590486       2.39764465       2.27733827       1.55991898       0.74407278 
Hf       5.45827285       1.85094466       7.88671938       1.94208814       4.17783934       0.05328704 
Hf       1.59595877       8.72920220       2.49950437       3.97498877       0.40540499       1.30189941 
Hf       3.82065893      10.82624239       4.72347679      -1.94721303      -1.38952863       0.57140626 
Hf       3.49058061       3.84289818      10.61403171       2.33215466      -1.49014626      -0.87940001 
Hf       7.25252469       0.13475803      10.26757042      -1.14553809      -3.09650034       2.43410450 
Hf       8.79317253       1.91265981       2.51236823      -2.25539264      -2.58985602       1.23729229 
Hf       5.18249104       5.59696189       7.71530805      -0.08946755      -3.71996197       0.85026423 
Hf       9.38766788       1.66691946       7.88855650       2.56328705       2.13258977      -1.35970747 
O       0.00840238       9.13818497       1.52842830      -3.24132475       0.63868852      -0.45862918 
O       5.89102740       7.31081938       3.68075265      -3.59044508      -2.13632279      -1.30464591 
O      10.86860990       5.40097954       4.47620055      -0.08312667      -3.11148079      -0.81775026 
O       0.75710726       1.60386275       4.40826944      -0.39852681       0.99739207      -2.98519613 
O       1.20431562      10.32994765       3.56054781       2.19141619       3.11118785      -1.50773920 
O       1.68714413       0.08603736       0.59040598      -0.87064107       0.53227193       2.00158811 
O       1.56683038       3.20951386       1.05002105       0.69124042       0.13253359       0.80059348 
O       0.16373611       2.05207162       9.26423151      -0.21716588       0.12260554       1.30436778 
O       2.26676397      10.89585277       8.75405524      -1.41715374      -0.43631126      -2.57250737 
O       1.97019765      10.51179654       6.07027600       0.43369409      -0.89672571      -1.24289423 
O       0.60466756       1.56018337       6.79455062      -4.07712153      -1.62524602      -0.81963814 
O       1.93448186       3.50410525       3.51123339      -0.85418690      -0.37181294       1.70679705 
O       1.59336362       7.46402710       0.96134788      -1.19855135      -2.85091801      -2.09620743 
O       1.49971480       7.18835737       8.93462845       0.87898003       0.96964466       0.52344328 
O      10.56729898       1.54835780       1.70577359       1.74301158      -0.88120857      -1.15946034 
O       3.22208400       5.44484298       6.79685733       3.07178024       1.89067225      -1.06646140 
O       3.85172795       1.96263921       6.92733617      -4.97107904       0.67089748      -3.29145428 
O       5.69170182       3.93845050       8.97026526      -0.29404732      -0.91368605      -0.54969456 
O      10.93014910       5.35715959       1.75881773      -1.89626678       0.02861523      -2.39578902 
O       1.68547192       7.53576501       6.16778453       3.67117731       0.46558670       2.44555859 
O      10.63575415       9.22895477       6.94630149       2.17849020       0.30698662      -0.81460125 
O       3.38114212       1.65370116       4.01259609      -0.22747589      -2.26614045       0.84998279 
O       5.46101437      10.90520623       3.10262104      -1.47140695      -2.95265215       2.16090547 
O       5.37859665       0.19033190       0.63676490       3.05144063      -1.28623084      -2.01377764 
O       3.65024788       1.38335452       1.44934472      -4.54140890       1.53414153      -0.09424324 
O       3.72480456       1.89330318       9.48003103       0.45520873       3.01321127      -0.49009373 
O       5.35789233       0.04669535       8.12228619      -0.12178669      -3.62530280       2.68631730 
O      10.79951447       9.18597702       9.44931376      -0.06487497      -1.64135449       1.29025858 
O       3.51775840       5.72787152       3.72077169       0.75543468       0.47898407       2.12741461 
O       4.97707525       3.32407483       3.73653333      -1.03604227       2.38278103      -1.18079829 
O       5.45874691       3.96823428       1.05781296      -0.59560194      -1.14732925      -0.23264272 
O       9.19020417       7.12897859       6.31277823      -2.86977391       1.70607909       1.36522345 
O       3.96452567       5.54946840       9.60990849      -1.56312522       0.37819754      -1.21883126 
O       5.19930040       3.94978273       6.30206207       0.70798512       0.49178674      -0.73066507 
O      10.65875079       5.17860878       9.67945797      -0.51829794       2.45435537       0.27872619 
O       9.03040872       0.32515940       6.50040538      -0.50677041      -2.99725268      -3.06637871 
O       1.71530083       3.60809763       6.51860191       0.43422106       0.75337819      -1.04713727 
O       7.07040815       1.98110610       1.41811650       0.75891292      -0.45735978      -0.54415920 
O       8.63280989      10.46032196       1.08256918       1.41172254       1.39004102      -0.92640100 
O       7.35316366       9.23620776       4.03062766      -0.84975455       0.25706019       2.27003620 
O       6.89573708       1.94554961       4.16418402       2.58219148      -0.41636049      -0.23914879 
O       3.83086784       8.64612965       6.82905225      -3.50161277       1.73128666       1.07221681 
O       8.72346707       7.41727259       9.30350397       1.28136670      -1.06152438      -2.25505515 
O       7.04137168       1.76991529       9.20571079       0.82872998      -0.31677438       1.43104204 
O       7.11342096       9.29885307       9.43122734       0.18374281       0.78635766      -0.94556042 
O       5.67541342       7.18746380       8.94402938       1.54330497      -1.72459954       0.90348265 
O       8.61526517       7.03020762       3.55094142       0.23405644      -0.65300885       1.91211962 
O       5.42225204       7.22646585       6.39225116       2.08634776      -1.68744588      -1.86951158 
O       7.14611728       8.56984302       1.53443539      -1.84481717      -0.09504356      -0.62447134 
O       9.03028240       7.46989612       1.34974100       3.59711749      -2.75443827      -3.22175586 
O       7.82482647       5.08495788       9.62740818      -0.27931120       5.40152451      -0.32573823 
O       3.85085038       9.01575310       9.68375995       0.34106564      -1.21104648      -0.75220785 
O       9.39485425       0.23204929       9.12895825      -1.99435922      -2.30929398       2.27530838 
O       7.32949399       5.21131825       6.70797965       0.20174044       0.72584900       0.41127622 
O       5.33892804      10.81410873       5.82146036       1.03185868       0.31676908      -1.18275224 
O       0.00245239       5.67649511       6.98862713      -1.56702868      -0.05912773       0.32623820 
O      10.44235664       9.02534354       4.31292423      -1.02603695      -1.45635228       0.37628617 
O       1.18724891       7.07651940       3.50687093       1.39130696       0.43723860      -0.51690541 
O       3.37925330       8.67044046       4.11326218       0.77702185       3.34081610      -1.25679920 
O       3.31008205       5.26822678       1.35167484      -1.83173373       0.33405910       0.18287981 
O       5.15581636       6.82495058       1.22255683       1.27090407       0.76332464      -0.75808140 
O       8.92470260       0.18201597       3.53816047       0.51204938      -0.04976006       1.79945170 
O       8.88641719       3.24884918       8.78770294      -0.22917924       2.61099676       1.76473942 
O       7.42634646       5.58636558       1.39022601       0.61613487      -3.95754713       2.70379766 
O       9.03018390       3.35854745       1.03788433       0.11529771       2.43159040      -0.35714568 
O       9.65493512       3.36099469       3.64678843      -2.60854981       0.72811997      -1.37163393 
O       7.04128052       4.95350308       3.65780836       2.25381559      -1.19362678       2.42398448 
O       3.65034035       8.70776997       1.56326506      -0.63175478       0.76624241       1.30373023 
O       9.41323196       3.19193364       6.25042735       0.15072962       0.91904168      -1.42088703 
O       7.24013784       2.00143835       6.58628451      -1.44467074      -0.88316380       1.14548398 
O       1.90764502       3.82537823       9.36291412      -0.16809449       1.92556593      -2.24248055 
O       7.14029012       9.33393528       6.82212767       1.48451170      -1.08249622      -1.80990490 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0024932383035307366 0.007952139717054595 -0.001312856012684616 0.007952139717054595 -0.017590580217009745 0.007667244872082957 -0.001312856012684616 0.007667244872082957 -0.0033787347472945977" pbc="T T T" energy=-1064.20745419 free_energy=-1064.20746055 config_type=crystal 
Hf       1.77556595       1.52826800       2.69055555      -0.11527399       4.83123804      -2.32622549 
Hf       3.79844290       7.29489922       0.07430394      -2.49666980       2.24377676      -0.77582078 
Hf       5.33369064       5.20546380       2.68246571       1.68302353      -0.29379142      -0.49164188 
Hf       8.96552718       5.38067643       8.18235131      -0.22776931      -1.03308689       0.23588274 
Hf      10.63299258       7.13597027       5.13302014       1.38671835       1.13821874       0.36037831 
Hf      10.69979065      10.84410309       0.11011123       1.32966085      -1.33644525      -3.62605311 
Hf       7.35368440       3.48589418       5.48724091       0.33177554       0.02380162      -0.96011546 
Hf       7.11017656       7.11330987       5.03904224       1.12185083       5.98512829       0.30868012 
Hf       1.64247575       5.20504375       2.60998284      -0.91382530       1.37786022      -1.91169695 
Hf       0.24454340       3.50730396       5.25886292      -3.05690368      -3.13998425      -0.74538267 
Hf      10.74735952       3.55309172      10.60766866       0.33486878      -1.60131870       0.88172146 
Hf       1.64219440       5.58587278       7.93890788      -2.00684916      -0.15167288       0.46827998 
Hf       9.02911131       8.98863404       7.72644533      -1.79323349      -1.99605131       5.33912313 
Hf       1.96070921       2.03187292       7.91348087      -5.41217336      -0.09795652       0.82382117 
Hf       7.27342984       7.16865432       0.01738107       1.48850173      -0.22084967      -0.01293498 
Hf       8.87148186       9.11281953       2.46845866       2.13715010      -1.33561701       0.19991726 
Hf       5.36826635       8.92657027       2.42049136       1.97255334       0.55798787       1.68615510 
Hf       5.32124561       9.13715949       7.94912649       2.60098612       0.26160660      -2.25756890 
Hf      10.88162903      10.59720108       5.41905971      -1.23829301       1.49581280      -0.17700635 
Hf       3.65918995       3.58228047       5.02816133      -0.43027473      -1.68765105       2.10436017 
Hf      10.77393966       7.36275783      10.39295181       0.30649731       1.31030292       1.32274186 
Hf       1.86147042       9.21251398       7.81528729      -0.70507480      -2.40185483      -0.31852963 
Hf       7.02997306       3.49137295      10.48824759       5.32884699       0.00035665      -1.70758206 
Hf       9.07619220       5.14018883       2.82448732      -0.03879080       1.86254971      -0.82214732 
Hf       3.60252836       7.31169641       5.20721342      -0.20183960       0.47875499       1.05341406 
Hf       3.48437404       0.03951774      10.18668416      -0.28542206       0.13607189       0.84291199 
Hf       7.24528804      10.93390175       5.25166667      -1.86821971      -0.53752821      -0.14695888 
Hf       5.23157557       1.76343470       2.37637570       0.55836995      -2.72791129       1.23018480 
Hf       5.35032688       1.79971473       7.76011843       0.14240966      -2.22836925      -2.52833126 
Hf       1.81139843       8.81380728       2.31302782      -1.83222844      -0.33876779      -0.43925746 
Hf       3.54045364      10.77753180       4.80333141       2.11524159       0.17620403       5.15444677 
Hf       3.60474137       3.88354023      10.44446982      -2.56904916      -5.00457631       3.24405833 
Hf       7.26403397      10.94963095      10.58353775       0.00976538      -0.49787656      -1.40030861 
Hf       9.03207447       1.71928586       2.56950123       1.17374909       2.41813607       1.49601996 
Hf       5.38354022       5.34224946       7.76715897       1.53020984       2.39576934      -0.85828909 
Hf       9.21640774       1.56073917       7.95469471       2.54179713       1.19814265       0.63875283 
O      10.93040163       9.02684736       1.48854617      -0.52792779       0.38028272       0.14723833 
O       5.36009503       6.94179161       3.41516243       1.26490670       4.59740802       1.13989523 
O      10.83943430       5.33638899       4.36332726       2.44253681      -0.21428974       1.22457103 
O       0.22390503       1.66292129       3.98107951       0.98872986      -1.10849986       4.59205646 
O       2.29527334      10.82767862       3.28275485      -1.16633357      -6.38428757      -0.09450010 
O       1.68322046      10.95524261       0.62635379       1.50356057      -0.15867656       1.11300253 
O       1.75780069       3.91155451       0.90800465      -0.10147769       1.04356505      -0.40503699 
O      10.58843858       1.58395417       9.64903511       0.51178885       1.61225130       0.79719153 
O       1.74529222      10.93873937       8.63299752       1.45265643       1.93573240       0.73870285 
O       1.79040684      10.50674330       6.11076505       0.34627018       0.17372929      -2.16479890 
O       0.20297360       1.78105458       6.79144302      -2.48852819      -1.57029400       0.15433539 
O       1.90830490       3.49715180       3.60627334       0.30302444       0.83842651       1.77593425 
O       1.75711539       7.34585020       0.80084275       0.94377113      -0.08026282       0.28195024 
O       1.32262968       7.36833663       8.90331499       1.20658114      -1.12272048      -0.96717378 
O       0.15133391       2.07078304       1.77862582      -2.72783416      -0.29716442      -3.52000383 
O       3.45305084       5.32665918       7.07891262       0.92474055       1.06326939       0.23042435 
O       3.39667937       1.97974558       6.76952943       3.23614314      -0.41035670      -1.35914915 
O       5.44101035       3.58388936       8.75866323      -1.75046271       1.28959536       0.95688315 
O      10.68907525       5.70355271       1.92421591       2.47374832      -0.99627278      -1.66451299 
O       1.62690125       7.48448567       6.21744662       1.00871310      -1.16033626      -1.03608654 
O      10.81741810       9.28568757       7.19069165       2.24992171       0.29625088      -4.02056409 
O       3.66917568       1.60710902       4.19124960      -0.74203172       3.73167922      -1.44925983 
O       5.24111211      10.83988974       3.38722846       1.29568970       1.21271208      -2.25639769 
O       5.33773986       0.09406657       0.61119971      -1.75263731       0.67052557      -0.12363544 
O       3.50044682       2.02803394       1.43200829       0.74110252      -0.14071947       0.21662225 
O       3.22342195       1.97878496       9.42487439       2.10050632       1.23955075       1.53110611 
O       4.75468006      10.90982747       8.44673216      -0.87375079       3.90355078       1.38481613 
O      10.76127112       9.21340492       9.37977990       1.17916635      -2.07161439       3.59523119 
O       3.87418271       5.48150241       4.39460469      -1.23860863      -1.84050355       0.30175206 
O       5.20487306       3.38128312       3.67105773       0.61898518       1.29415450      -2.34792878 
O       5.43191994       3.81633460       0.69083239      -2.84644716       0.51585367       3.12403537 
O       8.94598540       7.34415400       6.05688984      -1.93482245       0.66429715       2.71288512 
O       3.38620269       5.59498148       9.78776365       0.06315806       1.64224215      -2.68296566 
O       5.34212303       3.46964414       6.14406050       1.36500653      -0.08984110       1.51307775 
O      10.58293834       5.39661226       9.80097231      -1.59487443       2.15348701       0.40167362 
O       8.75771552      10.30629890       6.46991737       1.61293584       3.55816156      -4.13811041 
O       1.76025450       3.71305414       6.53486375      -0.28437992       1.37013002      -1.53740198 
O       7.24275720       1.70559031       1.53787132      -2.44119882       0.41220029      -1.00893288 
O       9.06396202       0.07935913       1.20092352      -1.27798785      -1.14517686      -0.59020815 
O       7.32082144       8.97724571       3.65775118      -1.34374389      -0.15728864       1.33828238 
O       7.34588450       1.89814902       4.14245973       0.46559688      -0.52630802       0.28803572 
O       3.71476240       8.97655998       6.79157844      -1.24595175      -1.11589388      -1.07206767 
O       8.87044871       7.35746926       9.30611105       0.38932203      -0.63882077      -2.77560368 
O       6.70799188       1.75702336       9.38826599       1.70177536      -0.89104026       1.26397632 
O       7.11948215       9.66672323       9.02024090      -0.99409460      -0.57916597       0.19207269 
O       5.64752427       7.45664560       8.76345564      -0.68356437      -4.35439431       2.28971894 
O       9.23530093       7.08597246       3.64156948      -1.18605348       0.24897579      -0.45294916 
O       5.57688206       6.76799362       6.13218142      -3.23555808      -0.56017197       0.67520361 
O       6.99155825       9.21710444       1.05216928       0.88242071      -0.10515874       1.12855675 
O       8.83761369       7.44039906       1.16890387       1.34531255       1.99652850      -0.53343509 
O       7.12911434       5.46785803       9.46668526       0.00215287      -1.84800917       0.77804261 
O       3.61786118       9.03316054       9.51228442      -0.79513437      -0.95879866       0.30767818 
O       9.21395448      10.64535949       9.09988708      -1.76245036       3.69104309      -0.45195541 
O       7.22664476       5.02859770       6.92754375       0.94626223       0.45872422       1.44190441 
O       5.45155167       0.41987774       5.92618492      -1.04705552       0.57657398       0.38077357 
O      10.64017971       5.75864769       7.21271398       1.14628903      -0.14598299      -1.41961487 
O      10.54904354       9.14116194       4.14789710       1.97244211      -1.68825560       0.99208848 
O       1.96671167       7.15571036       3.46046907       0.13178178       0.71539580       0.79878630 
O       4.15252296       9.05988934       4.20837653      -0.85718646      -4.33165948      -0.50231716 
O       3.58516760       5.41792190       1.86322320      -0.29594722      -0.00719245      -1.85348519 
O       5.53441376       7.17379422       0.97531396      -1.60700987      -0.17398502       0.33310823 
O       9.33068715       0.08520153       3.59474024      -1.73487146      -1.32233565       1.66384633 
O       9.19045616       3.45618042       8.89192156      -1.57648404       0.16816067       0.81115798 
O       7.52497127       5.50678448       1.59619902      -3.32272464      -0.73297173      -0.21309005 
O       8.90065681       3.45952583       1.13910568       0.37230317       0.29605095      -1.32261652 
O       9.61629276       3.49917614       3.76312390      -2.32970349      -1.58071902      -0.49850578 
O       7.16662724       5.38258726       4.45364071       1.04489624      -5.93557590      -2.65064121 
O       3.61972764       8.94928425       1.48522535       0.36211959      -0.06883757      -0.20905158 
O       9.09342369       3.36067664       6.36799535       1.45577344       0.09208585      -0.27285646 
O       7.55789646       1.30413486       6.87576394      -2.18249487       2.00954061       0.00853686 
O       1.04874404       3.79568330       9.03327099       3.71614743      -0.67118711      -2.48736355 
O       6.57264551       9.05280727       6.32032216       1.16570515       0.05035118      -0.44959777 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0025003258679431608 0.000536780882229186 -0.002811482929860014 0.000536780882229186 -0.001814335587139283 0.0060711614023821366 -0.002811482929860014 0.0060711614023821366 -0.002635032789263879" pbc="T T T" energy=-1066.07629589 free_energy=-1066.07630027 config_type=crystal 
Hf       1.86500274       1.58896906       2.69442418      -3.53813101       0.11913329       0.32116072 
Hf       3.79716061       7.34599165      10.62101294      -1.77814750      -0.89592969      -2.37560393 
Hf       5.33581654       5.21928808       2.61451430       1.59214232       1.72507469       0.99877634 
Hf       9.07691102       5.27219527       8.19377440      -0.57613444       1.26101416      -0.16337199 
Hf      10.53673941       7.12132002       5.16611246       1.60966014       1.22318644       2.06289264 
Hf      10.76736671      10.90542535       0.04489094       1.77137798      -0.22891883      -2.34704435 
Hf       7.33072687       3.43057099       5.54335321       1.07997325      -3.30458033       1.52897629 
Hf       7.14501927       7.14550232       5.13515146      -1.53704876       1.02373782      -0.94443722 
Hf       1.60618214       5.25592944       2.55625983       2.67160038       2.24657456       1.45724791 
Hf       0.15497109       3.53643147       5.30506049      -3.71790395      -5.00462836      -0.98707413 
Hf      10.76674792       3.58529260      10.58143831       0.39745663       3.41046023       2.32617953 
Hf       1.59819719       5.60042180       7.90789947       2.42079925      -0.21832592      -2.48899876 
Hf       8.99175343       9.01304970       7.74135378       2.16409797      -0.05661093       2.29080123 
Hf       1.92132545       1.96322689       7.87731165      -1.91455393       1.26799878      -0.85023161 
Hf       7.34815272       7.23887998      10.58620850       0.72711772      -1.66108534       0.14354088 
Hf       8.92103979       9.17442348       2.41933376       1.46093252      -3.30222972       1.93048029 
Hf       5.36502677       9.01377422       2.44975566      -0.50885768      -1.52995516       0.84915768 
Hf       5.32587123       9.19367240       7.93577317      -0.30306154      -2.25196558      -1.07400495 
Hf      10.77724475      10.52047840       5.42796936       3.25939027       2.47155219      -3.13080480 
Hf       3.69955021       3.61224656       5.03742514      -0.63495255      -0.97707178       2.00744256 
Hf      10.84273391       7.40463068      10.35686890       1.06342436      -1.18120677       3.29006418 
Hf       1.91177829       9.17019172       7.85413427      -1.23936981      -1.07924523      -1.64910958 
Hf       7.02019658       3.50373746      10.54212684       2.40385902       1.86861589      -0.84501470 
Hf       9.09252891       5.17350844       2.82329050      -0.52068988       0.48227715      -2.33957493 
Hf       3.60942626       7.26215425       5.20771129      -1.53898651       0.54582582       1.03450004 
Hf       3.43381681       0.03614034      10.19941876      -0.63796476      -0.30146215       2.06539077 
Hf       7.22739185      10.90803978       5.21974448       1.02640722      -0.22232092      -1.59887728 
Hf       5.24312637       1.67836575       2.32109618      -0.82280374       0.45100380       2.50438491 
Hf       5.31167883       1.77759237       7.66443372       2.25856262       2.62701035      -0.59265955 
Hf       1.80400630       8.88271132       2.25961039      -2.18297235      -2.96831340      -0.64064331 
Hf       3.52776528      10.74245770       4.90832584       0.67054540       0.13908051       1.55502077 
Hf       3.57428818       3.79455889      10.47180708      -1.07352243       1.78746252       1.92035022 
Hf       7.22362353      10.85212759       0.03177486      -0.39585647       1.79890892      -2.14873886 
Hf       9.03237236       1.63698428       2.59305860       0.67563717       2.54989545       1.78238652 
Hf       5.45052115       5.35296761       7.74204806      -0.20084240      -0.23150776       3.77050511 
Hf       9.19477293       1.58782262       7.95121371       0.09427712       3.84091113      -0.51296448 
O      10.88237886       8.87125573       1.35408305       1.23317773       2.89778682       1.49115498 
O       5.56647496       7.14237011       3.43074338       1.29732268      -1.07010751       0.94188188 
O      10.92642987       5.30735603       4.53460127      -0.40233157       1.03659593      -1.49651820 
O       0.15659915       1.41824653       4.36652404       1.38232876       0.79370551      -1.14401859 
O       2.31652141      10.50698072       3.19986874       0.11447104       3.00903375       2.07349776 
O       1.64136821       0.11790080       0.80225279       0.58557183      -0.45675809       0.53992724 
O       1.75422542       4.19509491       0.99010240      -0.90084627      -2.50994013      -3.58021112 
O      10.67571495       1.88854280       9.87575795      -0.24496791      -5.71484757      -4.06604358 
O       1.86080199       0.14442922       8.98410719      -1.46714048      -1.23521781      -3.22847268 
O       1.75230910      10.53244663       6.14848472       1.81195786       1.10017781      -0.54528059 
O      10.88815179       1.78804801       6.84246084       1.94125025      -2.11696704       2.41906951 
O       1.91667233       3.62798386       3.69137836      -1.60479328      -0.56899996       0.12317650 
O       1.96810089       7.30074753       0.65144067      -2.55316088       0.49598870       2.00928975 
O       1.42905835       7.02462204       9.06632697       0.32407854       3.70895022      -1.27776303 
O       0.08384736       2.12915562       1.49396175       0.02243517      -1.56452091       3.43308738 
O       3.59227136       5.39857875       7.18844946      -2.91300580      -0.33071791      -0.52622288 
O       3.52135514       1.77413313       6.61151000      -1.55048200      -0.30632607       1.57507662 
O       5.13371153       3.53404624       8.95698411       0.89070157       0.17013330       0.12867849 
O      10.81030843       5.68865046       1.94412360      -2.53369463      -0.65689246      -0.32056219 
O       1.61398259       7.22305163       6.33586771       1.89458660       0.76378729      -1.54009829 
O       0.03995401       9.26979217       7.05013694      -2.71327871      -1.27752811       0.34005742 
O       3.47209653       1.90414338       4.00068928       0.93282726      -3.53531531       0.76056052 
O       5.39881836      10.89970380       3.25185752       0.12907755       0.43622478      -0.25786509 
O       5.18056060       0.13816918       0.64801984       1.74047384       0.10658634      -0.03144691 
O       3.36384314       2.05480043       1.62245754       2.47404268       0.35276436      -2.76924661 
O       3.28297175       2.04983747       9.58793303      -1.06318125      -1.38341209      -1.44229221 
O       4.85028464       0.15209404       8.55303534      -0.70904214      -2.93002837       1.00592788 
O      10.73486311       9.05743049       9.40874414       0.16573536       3.60573485      -0.50824742 
O       3.73585171       5.48717006       4.54699936       0.19199797      -1.45082157      -1.69309169 
O       5.47224963       3.56206588       3.72821762      -1.62063802      -1.26444501      -1.22687460 
O       5.28339219       4.00522316       0.91453191       1.86502995      -2.24169201      -0.35859729 
O       8.82763058       7.46433584       6.33988537      -0.53790506       0.52305106      -0.91676652 
O       3.36709280       5.56888473       9.69995057       0.86633265      -0.56254501       0.18509934 
O       5.26374052       3.45226441       6.42676937       1.95772727       0.75429594      -1.36425088 
O      10.46163088       5.53011901       9.93567820      -1.10681778      -1.61819512      -1.26478653 
O       9.07392376      10.56804475       6.22408401      -4.23992039      -0.16279687       3.42590095 
O       1.72300082       3.59738233       6.26668462       3.00185497       0.28666499       1.40472302 
O       7.09499023       1.71640410       1.58524360       0.96474760      -0.28566251      -1.31382722 
O       9.12604561      10.91571566       1.17925556      -1.43188867       0.50105437      -0.10556265 
O       7.47131317       8.83912397       3.99333720      -0.39721750       1.94547516      -1.84994884 
O       7.32398027       1.76544360       4.25469697       0.11295377      -0.61512153      -0.84747349 
O       3.61774285       9.09552428       6.63777904       0.91068093      -0.55402622       0.59735790 
O       8.93421515       7.32347674       8.98935143      -1.09805724       0.55744425      -0.43626020 
O       6.90307168       1.75513400       9.40640310       0.67489051      -0.93142520       1.37028209 
O       6.99904613       9.37959364       9.14030152       0.60044929       0.60060069       0.50288985 
O       5.43913710       7.28861222       8.98757373      -0.25933558       0.96080813      -1.07436778 
O       9.11420996       7.19450610       3.53929799      -0.06977447      -2.23445688       1.52628519 
O       5.37293788       6.58015465       6.23960692       1.90429022       3.02036355      -2.71034360 
O       7.24643294       9.15886311       1.21415311      -0.53136970       1.29668945       0.67612628 
O       9.17661643       7.50999464       0.98770163      -3.81598509       0.11172638      -0.83898676 
O       7.11312899       5.51655252       9.55974141       0.09800487      -1.77948448       0.07560178 
O       3.48941183       8.97829552       9.29983909       0.07444080       1.23876861      -0.15640677 
O       9.05649364      10.88694806       9.04130843      -0.37254751      -0.78087496       0.74451764 
O       7.33821343       4.94195404       7.14020294       0.56607585       0.21293662      -0.69007683 
O       5.36735897       0.22829740       5.73276157      -1.57946945       1.17046154       1.53652449 
O      10.68447362       5.96359391       7.10912895      -1.15334135      -1.65945500      -0.39797608 
O      10.95162154       8.90749423       4.27119531       0.11166120      -0.20395924      -0.41617531 
O       2.16702460       7.23821364       3.31586823      -0.41767217      -0.07936974       1.40493752 
O       4.16296940       8.88919870       4.09236546      -1.24524627       1.35793108       0.98224434 
O       3.59995360       5.35570431       1.92074034      -0.23599704       0.98920806      -0.78664756 
O       5.43032727       7.52644858       1.01403625       2.20358595      -1.04828896      -0.34372636 
O       9.12533227      10.85212496       3.85529338      -0.63878995      -0.01886318      -2.80185601 
O       9.03346259       3.56013051       9.08649826      -0.58989550      -2.11876643       0.38686147 
O       7.52543230       5.39175579       1.34385040      -1.16101213       0.81312792       2.29548098 
O       8.95799876       3.42377377       1.02111963      -0.80866278      -0.39007495       0.50966073 
O       9.23656470       3.34119928       3.73700557       0.50823893       0.84264419      -0.34133395 
O       7.22194990       4.99872156       4.60730714       1.30826830       6.00293664      -3.39310752 
O       3.47295624       9.06069143       1.28059053       3.18402050       1.52066387       0.08645772 
O       9.18642961       3.25647839       6.53709924       0.05314390       2.38700396      -1.67106145 
O       7.41168492       1.58666545       6.80040720      -1.64573782      -1.32085398       1.22767421 
O       1.16285001       3.86474007       8.71743249       0.64583337      -3.03603788       1.21917302 
O       6.45871374       9.05429126       6.06689896       0.58821359      -1.00939013       3.64252928 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.009472394187366237 0.0009724254553296751 0.00773327941448389 0.0009724254553296751 -0.025525026809828235 0.00045366653124489283 0.00773327941448389 0.00045366653124489283 -0.01324532945650133" pbc="T T T" energy=-1062.04438958 free_energy=-1062.04445416 config_type=crystal 
Hf       2.10664554       1.82347249       2.61574588      -3.50189600      -1.18008849       1.18923315 
Hf       3.50113672       7.04259360       0.12274157      -1.03579927       1.66869015      -0.86660707 
Hf       5.63858724       5.28869401       2.57049674      -0.18257784       0.94060004      -0.54883456 
Hf       8.69214737       5.66513264       7.59899426      -0.15330450      -0.57320346       0.66982803 
Hf      10.92701371       7.29422816       5.17195565      -2.11428194      -1.50770790       3.02523178 
Hf      10.89873595      10.79749549       0.08938139      -1.85023763      -1.26089371       0.33650628 
Hf       7.30367201       3.60356754       4.94477714      -2.77573550      -1.13752290       1.37100304 
Hf       7.15037665       7.43352735       5.15054087      -1.52155979      -2.65799747       2.08010631 
Hf       1.49570282       4.89710839       2.38884426      -0.19368294       4.01065444      -2.03187381 
Hf      10.70681038       3.41919187       5.08464192       1.10702006       0.09368029      -0.02085871 
Hf      10.82671142       3.32577805      10.25211819      -3.73490865       1.24867351      -0.38293602 
Hf       1.54317539       5.63890650       7.93722318      -0.49524727      -2.46354185      -3.21649945 
Hf       9.25324981       9.06975555       7.91954375      -1.68209661      -0.38358849       0.58983263 
Hf       1.95730430       1.78779909       8.06923929      -1.34400646      -0.41945899       0.71059331 
Hf       7.35969782       7.13665502      10.53565485      -1.94363823       5.85644502       0.36306251 
Hf       8.91971729       9.06217454       2.69571316      -1.87400672       0.94269817      -1.61198433 
Hf       5.48309837       8.92982782       2.53345882      -1.10686066      -0.01012017      -1.62787864 
Hf       5.32269695       9.11636391       7.88494168       1.20210229       0.00627866       0.16696707 
Hf      10.78607354       0.04291882       5.09371133      -0.35208579       0.72706339       0.57081868 
Hf       3.46396827       3.78235171       5.51956583      -0.28900223      -0.04750729      -1.21497017 
Hf      10.73723585       7.06407525      10.33352772       1.47277464      -1.72410081       2.25991183 
Hf       1.84332848       9.00296087       8.02224487       0.11333880       0.45981217       0.18848078 
Hf       7.22715684       3.66860751      10.15779538       1.12064594      -1.86768532      -0.21626733 
Hf       9.21913612       5.56533707       2.52901420      -3.28470289      -2.90234081       1.53763859 
Hf       3.49095936       7.13836986       5.13908642       0.28199977       2.66556361       0.96626273 
Hf       3.44303694      10.86485298      10.46783385       2.44538718      -1.51795122      -0.14578324 
Hf       7.34933323      10.82415024       5.42001929      -2.07345718      -1.57678605       0.49198386 
Hf       5.53841095       1.59465226       2.63638942      -0.49017716      -3.28376576       0.30835760 
Hf       5.48124396       1.72884913       7.65549771       1.07802108      -1.14670107      -0.29983995 
Hf       1.74294161       9.17425782       2.76240291       1.06760085      -3.42705404      -1.67452553 
Hf       3.19772673       0.06797431       5.24385244       3.63558917      -1.81516251       0.95956738 
Hf       3.56673566       3.54527450       0.01233102       0.19714839      -0.64856813      -2.03863358 
Hf       7.19652266       0.03317039      10.42733513      -0.12827098      -5.40227345       1.28258555 
Hf       8.99360510       1.74486012       2.50051966       3.00708766      -0.37212545      -1.77522201 
Hf       5.37030471       5.56792027       8.16725111      -0.96691034       1.07727881      -0.96921333 
Hf       9.20392492       1.39166136       7.80846836       0.59607988       0.63234897       2.71708833 
O      10.65659750       9.09759365       1.85284058       5.02841035      -0.44160676      -0.26113496 
O       5.43547648       7.25230514       3.60137029      -0.41315875      -2.66670676       0.58680964 
O      10.74145084       5.60296162       3.84139564       1.83611895      -1.50574021       2.18260667 
O       0.04852073       1.65602986       3.67367534      -1.80998871       1.49931860       2.79750156 
O       1.84467355      10.93508894       3.62379695      -0.70332486      -0.12940497       0.72135502 
O       1.95498042      10.59616596       1.15793772      -0.54808423      -0.84112320      -0.48672946 
O       1.27474178       3.32230434       1.00392574       5.35361981      -0.47599898       1.51762313 
O      10.89256717       1.60478886       9.20655409       0.37526571       0.19004141       0.02434912 
O       1.79099912       0.09593589       9.09303903      -0.55826728      -2.56699047       1.11183857 
O       1.42166732       0.05389607       6.18935917       2.08331912       1.85599706      -0.96672187 
O      10.63442321       1.83444437       6.35699158      -1.34122300       0.55384898       0.02000799 
O       1.67036787       3.62516390       3.79647525      -0.35792417      -1.98249853       0.30030812 
O       1.47709778       6.83937678       1.01332581      -0.13295861      -0.83069202      -0.41094183 
O       2.07369789       7.11352066       8.94104826       0.16763816       1.25939331       1.92002775 
O       0.04989395       1.27597860       1.38306281      -1.38411573       0.16375877      -0.76929315 
O       3.61589633       5.71608012       7.03970606      -0.43388799      -2.09806520      -1.55864040 
O       3.15880719       2.12958773       6.62967187       1.75886789      -1.82407514       0.02937584 
O       5.85393958       3.60601577       8.30025976       0.71535920       0.26015660       1.80249146 
O      10.67105832       4.90952208       1.42485890       1.07261637      -1.74528302      -0.02084752 
O       1.71878111       7.36228048       6.54477731       0.41337073       0.56419574      -1.37836896 
O       0.09577253       9.56832597       7.20627047      -1.13368997      -1.59824043      -0.28435583 
O       3.52701468       1.79355921       4.04819750      -0.03404776       0.78992499       1.15882448 
O       5.10781046      10.66381685       3.43608944       1.11989856       2.58809541      -0.51529707 
O       5.26940959      10.29742640       0.72001048      -0.32763639       0.96747795       0.13610442 
O       3.70073225       1.57956059       1.58027178       1.30426669       0.44766713      -2.50676552 
O       3.70573805       1.61375164       9.41869193      -0.61363918       2.40148563      -0.48596882 
O       5.37246786      10.95048869       8.65101995       0.37297888       0.04143039       2.26705998 
O      10.82455090       8.71736764       9.37073430       1.41499613       2.12542194       1.12372078 
O       3.42346734       5.36368400       4.23645708       0.55918230       0.28009520      -0.22910256 
O       5.42547957       3.39730715       3.33756159       1.70872614       1.65310476      -0.03893907 
O       5.46412576       3.37111869       0.40416454       1.45528370      -1.23710272       0.60132837 
O       8.93117552       7.42385386       6.14933769      -1.01498384       0.64565880       0.50678591 
O       4.13656993       5.29722819       9.73598586      -2.03197041      -0.79865916       1.11503565 
O       5.30565423       3.27280963       5.91077957       0.92270421       0.48133606      -0.22433233 
O       0.39410682       5.32294083       9.55161161      -1.40075941      -1.07710205       0.35189376 
O       9.11932564      10.73206933       6.45634902       0.58591027       0.08278092      -1.07027944 
O       1.24699056       3.83443347       6.30271236       0.56358740       1.48654118       0.01584342 
O       7.41722843       0.93290252       1.80507896      -4.73459086       1.30993881      -1.51695440 
O       8.93904313      10.19637856       0.79209115       0.90182272       1.41252987       0.25181894 
O       7.19848685       8.97279232       4.08112104      -0.27174459       4.20010354      -0.21785744 
O       7.21320558       1.51441227       4.46512704      -0.93339697       4.03745438      -2.68571242 
O       3.39050216       9.99341121       7.19965370      -0.23449081      -1.47760541      -0.15370046 
O       8.94092701       7.22998481       8.95968823       0.70684097      -0.58843314       0.24654223 
O       7.18148095       1.61667744       9.39194968      -0.32072787       2.88996596      -0.80249110 
O       7.16970774       8.97191442       9.54066385       0.83387490       1.91231771       0.68473163 
O       5.77273075       7.40571696       8.90210488      -2.76286904      -1.08936227      -0.57967601 
O       8.79054868       7.17767166       3.54081209       0.27556568       1.09606892       0.79485106 
O       5.01582771       7.96422076       6.25502556      -0.26807876      -1.82108388      -1.29712834 
O       7.20990071       8.52668142       1.52141784       0.78656777       0.14444069       1.75111581 
O       9.21030054       6.59282855       0.94132614      -1.00130617       3.81961402      -3.31417996 
O       7.19879307       5.59352379       9.43985256       0.39604285      -4.93139737      -1.39230009 
O       3.29873174       8.88969073       9.75789754       0.71630373       1.38833748       0.07169404 
O       8.92808888      10.66237022       9.19857097       2.01645229       1.89088205      -3.06182364 
O       6.77748404       5.96048175       6.88477000       2.42922339       0.11833918      -1.93249661 
O       5.40330878       0.19232699       6.21956360      -0.44496160       1.22760849      -1.72386284 
O      10.57874362       6.19410081       7.13488514       2.38603154      -1.23007697      -0.35958095 
O      10.41719400       9.12610061       4.60622032       0.14548007       0.08682594      -1.34773050 
O       1.46962458       7.52474032       4.06096825       2.85970417       0.62096534      -2.50649751 
O       3.62609253       9.07987758       4.36998155      -2.66411008       0.20852721       0.05752817 
O       3.72202557       4.57462806       1.65718014      -2.26044129       1.93311558       1.58392825 
O       5.40491033       6.98420645       0.73939544       0.96838331      -1.68821478       1.73227714 
O       8.81657466      10.94059696       3.43571785       1.84778776      -0.79567095       2.51533533 
O       9.21678134       3.65634435       8.78829827      -0.56276963       1.06133692      -1.11411080 
O       7.41344620       4.90128230       1.55316199      -1.52252942       0.45233779      -0.01885215 
O       8.86843390       2.70035622       0.38536630       1.33160118       0.53490278       2.16281030 
O       8.75302471       3.49287403       3.49525120       1.32247657       0.13505130      -0.01856138 
O       7.02319557       5.46139706       4.28666358      -0.67425161      -0.63059538      -1.16664232 
O       3.45094159       7.95682009       1.86842493      -0.23043473       3.13502996       2.01752248 
O       8.79249217       4.20213096       6.09118782       1.76847960      -0.78626685      -0.72878589 
O       7.56190778       1.58434606       6.94401339      -3.07611620       1.01685075      -1.31680184 
O       2.10866834       3.59954417       8.86640707      -0.54419121       0.31205559       1.01149024 
O       7.03614797       9.34612635       6.82551598       1.87075674      -1.29081549       0.13857941 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0032041606233379387 0.00019409815744578866 0.006305405995099139 0.00019409815744578866 -0.02755948142468364 -0.0050552504042630465 0.006305405995099139 -0.0050552504042630465 -0.010913572744101799" pbc="T T T" energy=-1064.42815748 free_energy=-1064.42815949 config_type=crystal 
Hf       2.02676808       1.87495670       2.71565593       0.98017846      -2.49683613      -1.52028036 
Hf       3.48399573       7.00853216       0.09456207       0.46935789       1.40226969       1.01434991 
Hf       5.60366499       5.36034801       2.55675791      -0.34401562       0.57461677      -1.21562715 
Hf       8.51057084       5.67433831       7.72087988       5.58520466      -2.93990526      -0.60156679 
Hf      10.78732920       7.23124705       5.26377267      -0.54617195       0.21010473       0.11730423 
Hf      10.84585889      10.79796430       0.06921158       1.63507247      -1.54734585       0.20074726 
Hf       7.29172822       3.63755294       4.93180743      -2.24382903       0.44797540       0.61913453 
Hf       7.06510566       7.37291558       5.16771712      -0.03211213       1.26772480      -2.19072640 
Hf       1.40834110       5.06227491       2.41063541       3.05236437       0.71805727      -0.78694694 
Hf      10.75823292       3.33893347       5.05185284       0.35991174       2.20550178       1.97849885 
Hf      10.70593664       3.31791088      10.33306621      -0.32800507       1.29675712       0.20712648 
Hf       1.54102122       5.54787551       7.86617565       1.53941543      -1.24389794       2.17333275 
Hf       9.29776404       9.02916269       7.97680335      -1.58923109       0.58747259      -1.01839296 
Hf       2.06017742       1.87402851       8.04234165       0.06099268      -1.09811532      -0.45456936 
Hf       7.40954861       7.18140327       0.03738262      -3.23309647       0.71171747      -1.86222609 
Hf       8.83189016       9.09749735       2.68012223       3.14553806       1.84503961       0.45098375 
Hf       5.42987993       8.89904288       2.36866989      -0.13119030       0.99155268       2.60052734 
Hf       5.39576350       9.14783272       7.81136137       2.52960727      -0.91511031       0.80041934 
Hf      10.79313424       0.12679072       5.10776351       0.16470148      -2.24895871      -0.16959617 
Hf       3.40212910       3.82316161       5.48944133       2.67362823      -2.46500017      -0.72483884 
Hf      10.82947606       7.11939878      10.34723031       1.18952290      -0.26402101       1.96203381 
Hf       1.87338178       8.97496007       8.01064194      -0.67430995       1.28717080       2.39203935 
Hf       7.21179434       3.54998065      10.12862856       1.10195777      -0.84026210       1.85692855 
Hf       9.16864966       5.54836754       2.58521886      -3.55472099      -2.08961513      -1.23998584 
Hf       3.34618459       7.11606125       5.17297359       1.62349593       0.97844776      -1.36163331 
Hf       3.55882817      10.90656039      10.40101837      -1.59902043       0.36573167       2.00950354 
Hf       7.28940007      10.88940779       5.41143914       0.88827120       0.78574328      -1.20810930 
Hf       5.64398187       1.59697537       2.64908895      -2.02765441       4.77480343      -1.19657841 
Hf       5.52442309       1.67702265       7.67476256       1.37495906       1.60855315      -0.03627005 
Hf       1.81523412       9.03777104       2.76337079       0.21722813       1.78358431      -3.95932659 
Hf       3.32265548       0.01915810       5.18184041       3.62940872      -0.51981965      -0.01338692 
Hf       3.55375817       3.53503393       0.05536062       0.97648810      -0.13828540       1.20508893 
Hf       7.13963013       0.04338828      10.48568760       1.57083188      -1.47280804      -0.49740662 
Hf       9.02680660       1.70867826       2.49497695      -0.21991574       0.72013159      -2.03590131 
Hf       5.38106756       5.58826557       8.14295003      -1.08951517      -3.46415102      -2.09215884 
Hf       9.22498783       1.34802679       7.78070956      -2.09204048       2.81505047       0.28568958 
O      10.84742703       8.74888674       1.55001346      -0.10579207       0.47025147       2.06733842 
O       5.74654767       7.08868418       3.56494704      -1.39729023       2.53528079      -1.76283059 
O      10.93807478       5.25130962       4.05685663      -0.14885091       0.95958823      -0.11814759 
O      10.85886564       1.82545552       3.85841628      -0.30891934      -1.17392134      -1.84480984 
O       1.87504402      10.89690432       3.45090616      -1.32906245       0.28918232       0.65600379 
O       1.83201630      10.23763787       0.90596919      -0.00527023       1.67936107      -0.59441294 
O       1.75189431       3.40438921       1.31690504      -1.16134754      -0.29183628      -1.47074687 
O      10.59499191       1.63498207       9.27522243       1.60342360       0.10879912      -0.65232237 
O       1.53188731       0.02095762       9.07111587       2.14984846       1.20194258      -0.98543869 
O       1.64167454       0.31619892       5.94126832      -1.48292615      -0.23796806       1.76271836 
O      10.72146699       1.71079846       6.35094708      -1.18912555       1.75133953       1.80931258 
O       2.05327930       3.38806105       3.88984560      -2.58592386       3.58088818      -0.63883039 
O       1.54508688       6.68297013       0.88094566       1.31165765      -0.22007114       1.21375811 
O       2.08838912       7.23670905       9.11031689      -1.08557767      -1.47489293      -1.43548183 
O      10.92530709       1.54017859       1.21330205       0.31776734      -0.62309662       1.50384412 
O       3.61012624       5.44635568       7.07417931      -0.69038287      -0.98502601      -0.99104094 
O       3.65774507       1.63412586       6.81033352      -2.01825492       1.20186135       0.58877509 
O       5.89891604       3.58315498       8.33977498      -0.66505875       1.21884713       0.39433458 
O      10.69064294       5.02919798       1.36827191      -0.48283776      -0.81046335       0.98649290 
O       1.83829574       7.14780637       6.45758092      -0.12583378       2.01925197       0.46545522 
O       0.11907266       9.66906573       7.32965764       0.41089508      -1.51833812      -1.86036123 
O       3.47418113       1.71671416       4.24058867       1.47048253       1.03667389      -1.32281965 
O       5.27410862      10.87841629       3.14476269      -1.03911132      -4.60675697       3.24013626 
O       5.07282170      10.41897731       0.93169424       2.58950232      -0.75655309      -1.92247534 
O       3.73342934       1.61212325       1.27034800      -1.71429297       0.74646056       1.45460835 
O       3.73294552       1.79259738       9.27702202      -0.24636548      -0.74119812       0.10756582 
O       5.87014942      10.71178616       9.04839904      -3.86011942       0.45966473      -3.68138924 
O       0.01372743       8.97737949       9.60621140      -0.67036621      -1.54465623      -0.94673072 
O       3.76550117       5.32601519       4.30101008      -0.92205432       1.23189430       0.14987678 
O       5.73559397       3.57806548       3.21131224      -0.61541720      -1.54379078       0.98547486 
O       5.47872101       3.31065844       0.43142813      -0.51694112       0.23715608       0.19481335 
O       8.99350365       7.44844668       6.25594571       0.64879853      -0.28972561      -0.51925435 
O       4.19849006       5.33835669       9.78176698      -1.03874885      -0.30223527      -0.36439643 
O       5.41025116       3.37890424       5.84809344      -0.64543996       0.32594668       0.22778436 
O       0.26592250       5.17529974       9.56809272      -0.50085621       1.83758149      -0.81267717 
O       9.16299812      10.89541179       6.31116145      -1.41703620      -1.14191077       0.78428827 
O       1.46289574       3.54448019       6.26313687       0.64418007       1.47193649       2.35178394 
O       7.10475827       1.34965397       1.41466750       2.27312250      -0.25309455       0.06003439 
O       8.94980159      10.30688450       0.84875552      -0.14329860       1.37686275       0.98016552 
O       7.07426805       9.41818560       4.12765566       0.27312394      -2.65404143      -0.93189808 
O       7.15186305       1.84703085       4.14833671       0.72542404      -3.23085458      -0.54871878 
O       3.57679469       9.72667084       7.29849415      -0.82823737      -0.23298565      -1.03979769 
O       8.93399351       7.25924478       8.76185140       1.30611290      -0.33310196       2.54644242 
O       7.10328568       1.79798116       9.26479538       1.13940487      -2.93451968       1.10812889 
O       7.31958703       8.89647589       9.63520604       0.04323469      -0.00346125       1.13826894 
O       5.41217142       7.35256327       8.75852070      -0.17373792       2.67530784       0.18168629 
O       9.00364157       7.26643246       3.50962884       0.52844736      -0.66295249       1.23177653 
O       5.15759594       7.50024774       5.75355657      -0.43578490       1.19138926       3.33205117 
O       7.27743502       8.39893643       1.80207074      -0.55632277      -0.00259938      -2.02123952 
O       9.13912653       6.94513297       0.77975014       1.55078629      -0.95847034       1.19504392 
O       7.38300945       5.35236470       9.39161763      -2.42982524       4.17276512      -0.29380922 
O       3.51073702       9.04471178       9.88019163       0.27506276      -1.83241704      -1.40640679 
O       8.91927741      10.72601373       9.00753149       0.04237184       0.67261483      -0.44005726 
O       7.07946799       5.96101356       6.52787018      -2.97849023      -2.24980436       2.29942884 
O       5.47950798       0.20770801       6.00381882      -1.52232782      -0.76903873       1.41575853 
O      10.87041973       6.24545761       7.19761782      -2.59751460      -0.83355153      -1.01525525 
O      10.20028010       9.09564030       4.70304499       2.09826782       0.35056330      -0.82343933 
O       1.57612194       7.62540394       4.02171578      -1.80815022      -3.78109221       0.64307703 
O       3.38997649       9.10598562       4.44164599       0.38574913      -0.59035411       0.36811128 
O       3.55621812       4.95259461       1.71829413      -0.32440559       1.34678137      -0.59260610 
O       5.48767108       6.83328569       0.87758721      -0.51544721       1.09829232      -0.19280687 
O       8.89247301       0.03313763       3.65951411       1.26647985       0.64401568      -0.81053208 
O       8.98495425       3.80861434       8.75921328       1.41353310      -1.06268502      -0.80885412 
O       7.34921841       4.93670797       1.54307921       1.58952779       1.78318802      -0.98405741 
O       9.05084177       2.86031469       0.51893818      -2.34692059       0.23776678       1.35197604 
O       8.75529775       3.54054534       3.25654406       1.92201448      -0.15360140       0.62457243 
O       7.13737472       5.43030755       4.07468476       2.11975388       0.11675274       0.71397654 
O       3.56504482       8.43052137       1.99520286      -1.08064495      -1.78553745      -1.37745937 
O       9.09119677       4.04817068       5.95299742      -0.01364831       0.06024197      -0.06983487 
O       7.37339666       1.74145335       6.81086316       1.36679035      -0.56353467      -0.47854439 
O       2.08875012       3.73164603       9.07686520      -0.19498760      -1.95019827      -1.03975275 
O       7.17924417       9.01748853       6.71454306      -0.63633491       1.35171222       1.03344841 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006218879504698363 0.0004491520539356506 -0.012151755766026968 0.0004491520539356506 -0.0035127572247245714 0.00039357690769769096 -0.012151755766026968 0.00039357690769769096 -0.016294311164623383" pbc="T T T" energy=-1059.80249366 free_energy=-1059.80249794 config_type=crystal 
Hf       1.57320929       1.56163899       2.32749399      -1.40013370       3.25060289       1.28099668 
Hf       3.47054866       7.48724385      10.14048223       4.04116525      -2.72998150       1.65181108 
Hf       5.61846764       5.64950303       2.45648668      -2.56508080      -3.82407478      -0.10163387 
Hf       9.33392936       5.31793010       7.50359240      -1.13727824       1.12767738       1.73008051 
Hf       0.30867391       7.35450183       5.42113566      -1.34135127      -0.66806310      -0.13626496 
Hf      10.85044770       0.06247549      10.56520836      -0.54681389       1.14053997      -2.01911088 
Hf       7.24172657       3.74531868       5.37161015      -0.73079371      -0.74107631       1.27199690 
Hf       7.65805030       7.06633832       4.92879113      -3.73217705      -0.43212310       1.44586035 
Hf       1.75827377       5.46272909       2.60873287       2.49458122       0.02964985      -1.05520347 
Hf      10.88204185       3.55396874       4.79389158      -1.21461576      -0.68816139       1.41198387 
Hf      10.77309703       3.96031155      10.28364530      -0.27070386      -1.15133981       1.21457218 
Hf       1.75055779       5.29679926       7.79349104       2.57206871       1.27458771      -0.17990112 
Hf       8.78726221       9.03170098       7.88125852       0.55931403      -0.87322624       0.91527584 
Hf       1.60509695       1.95013765       7.97664508      -0.43003742      -2.44295908      -0.74360339 
Hf       7.26845308       6.84665168      10.60317536      -0.26984870       2.77954047       0.04364377 
Hf       8.79094091       9.24378525       2.64913646       0.12160705      -0.04683870      -1.38649383 
Hf       5.24910243       9.12604594       2.63489902       2.77375644      -2.26234289      -3.25387989 
Hf       5.16467681       8.79625599       7.54268958       1.16941674       3.36896603       4.76078617 
Hf      10.52793188      10.64826261       5.43722435       1.74123753       1.30464937      -1.29963457 
Hf       3.62110875       3.40183723       5.50875295       1.15663528       2.72335369       2.00586034 
Hf       0.15693002       7.33081485      10.58087731      -2.09506837      -1.49143908      -1.05051837 
Hf       1.70413743       9.02659000       8.11615357      -1.40529942       1.13826696      -2.00730929 
Hf       7.20721922       3.15751799      10.45404092      -1.11629218       1.32781256       0.69711188 
Hf       9.21796273       5.57682400       2.41576614       0.95330475      -0.36620197      -0.46693653 
Hf       3.61174784       7.36879766       5.38019881      -0.50905675      -3.39231414       0.36060734 
Hf       3.81806017      10.93250059       0.25575138      -0.11730332      -0.39785534      -1.61483565 
Hf       6.90215664       0.08054829       5.19352699       0.57953515      -1.64412338       3.54584148 
Hf       5.47519976       1.90179178       2.94370878      -1.16617322       5.21616559      -3.61134815 
Hf       5.23655321       1.44937198       8.00759992      -0.59588465       0.97230164      -0.78696022 
Hf       1.37527053       8.92966874       2.49879191       0.76837838       1.30267315      -0.24739328 
Hf       3.40400784      10.72702826       4.92299885      -1.17831435       1.19368810       3.17396145 
Hf       3.53379228       3.51229847      10.49631851       1.90582164       1.24066061       2.07955841 
Hf       7.41965234      10.58944949      10.51565128      -1.47820254      -1.91880738      -0.04514228 
Hf       8.97696984       2.04379228       2.48033242       1.07882870      -3.18433901       0.76169641 
Hf       5.50175261       5.27900037       8.12112625      -2.09173451      -0.65553794      -1.87061679 
Hf       9.01420764       1.50665674       7.92682387      -0.52792052       1.40138551       0.17805170 
O      10.49709972       8.42372865       1.86378059       3.00925374       1.59144865      -1.06601868 
O       5.93220037       7.12917920       3.61588886      -1.35174807       1.19100322       0.98037197 
O      10.58380518       5.55429474       4.10908786       1.15256002       0.62072446      -0.71388837 
O       0.14465985       1.46548365       4.17693404       0.19666735       1.90407138      -0.09312848 
O       2.27631640      10.85432328       3.32526830       0.44758981      -1.90340588       2.65056152 
O       1.54623003      10.75640096       1.43990404      -3.38203445      -1.43805289      -7.08401929 
O       1.79441641       2.93744274       0.67843398      -0.65744174       0.05257478       0.21461854 
O       0.05937571       1.88996270       9.54241295      -1.43420033      -1.21651971      -0.05929853 
O       1.40270413      10.88852254       8.62125088      -0.45684909       1.67051167       0.91968677 
O       1.57113959      10.68776622       5.81347766       0.48079252       0.00734923       0.03992583 
O      10.59926333       1.87057901       6.85593554       2.30055179      -1.11386167      -0.43823364 
O       1.19148494       3.70460509       3.22296683       0.69473944      -1.59550361       0.70387241 
O       1.98525558       7.29835375       0.74004136      -2.64793110       0.40884079       4.28651938 
O       1.82372415       7.05162354       8.97561696       0.94316101       2.37633942       1.45846220 
O      10.51841780       1.87430909       1.37449583       3.12188993      -1.33624151      -0.38390539 
O       3.76931517       5.36245912       6.94718636      -2.36165480       0.31572169      -2.06593943 
O       3.47211362       1.73656785       6.93788450      -1.25786884       0.73758699      -0.16191319 
O       5.54062855       3.21959250       9.24752379      -1.04400524      -1.10333680      -1.58978575 
O       0.16136950       5.50287100       1.16108890       0.68791970      -1.36126668       1.92457656 
O       1.96684314       7.28735163       6.79646724      -0.32689197       0.38442149      -4.44577492 
O      10.82425388       9.16211277       7.07331602       0.53209280      -0.93604038      -1.49556915 
O       3.77325078       1.81590266       4.43739375       0.59692590      -1.08266447      -1.86301521 
O       5.41974695       0.03907227       3.47337768       0.10663689      -2.07625089       2.36062940 
O       5.55362982      10.73375086       1.05989178       1.46156836      -0.44665993       0.78828481 
O       3.50758509       1.43726626       1.71988976       2.02314671      -0.00422293      -0.69372713 
O       3.54245585       1.34952360       9.30922513      -1.03899618       1.84162035       1.77217070 
O       5.57410592      10.92910149       9.19556424      -0.56164914      -2.47274515       0.76180918 
O      10.83570170       9.03582076       9.56811823       1.28875466       0.36137056       1.56167025 
O       3.22932975       5.53093227       4.13896661      -0.07306100       0.78306415       1.17047458 
O       5.39113612       3.89752951       3.65607701      -0.11502638      -1.76778267       2.13277811 
O       5.37545798       3.42466132       1.16022848       0.52175498      -0.77456506      -1.19442377 
O       9.37017904       7.32618090       5.81072262      -1.39666709      -0.32301358       1.23803615 
O       3.69990321       5.19669309       9.26556332      -0.73429117      -0.47643572       1.94921637 
O       5.29466712       3.44001451       6.65665200       2.15937939      -0.24974315      -1.30969967 
O      10.90070342       5.78371097       9.25983493      -0.53670392      -2.82345938      -0.90647828 
O       8.78758180      10.51205707       6.42085518       1.22177698       1.05871021      -1.87275603 
O       1.77077555       3.60559451       6.45223751      -0.33402477      -0.74390139      -1.57386254 
O       7.33418984       1.93994539       1.49833867      -1.76409579      -0.77656563      -0.02771893 
O       9.14260243      10.78911054       1.07259131      -0.66844968      -1.49644251      -1.65320586 
O       6.94741993       9.11691510       4.53549613       1.31465618       0.56229413      -1.46704622 
O       7.18066561       1.89584508       4.26446449      -0.99687065       0.02692533      -1.07300746 
O       3.47952426       9.26873623       6.63772047      -1.97832405      -1.58347315      -1.01366312 
O       9.00321604       7.06556538       8.23586152      -1.42488917       1.05800233       1.15094789 
O       7.43329508       1.32089184       9.51124543       0.75525827       4.53541160       0.00188804 
O       7.65131663       8.80888136       9.65389310       0.07239754      -0.03041789      -0.27029834 
O       5.36323787       7.22338261       9.06926589      -0.42555876       1.04127468      -1.08009528 
O       8.69646578       7.44630993       3.39062538       0.67916656      -2.47666105      -1.66319628 
O       5.27135790       7.32111681       6.41770272      -0.02564599      -1.37794537      -2.61757646 
O       7.14703069       8.54691693       1.36710878       0.49011552       3.12438595       2.79190821 
O       9.23846699       6.90603878       0.63077588      -1.88402606      -1.03799080      -0.52076307 
O       6.78299808       5.17169840       9.54310660       2.85145458       0.23841865       2.47134082 
O       3.37183697       9.30715158       9.41140288      -0.23410266      -0.08563317      -1.58606197 
O       9.10666850      10.79440897       8.98125756       1.45630496      -0.69595681       0.85365360 
O       7.06279789       5.59809923       6.62359846       1.29108848      -1.18928085      -0.12068864 
O       5.16942919      10.80926553       6.42800754       1.23413358       1.90999686      -2.17111128 
O       0.11376798       5.48471745       6.55366060       1.02902986       0.11159016       0.00213096 
O      10.56371385       8.96149088       4.28214551       1.32072646       1.46489626      -0.05673378 
O       1.48524050       7.37044445       3.67976108       1.13841204      -0.59693513       0.57235724 
O       3.85489687       8.85605439       3.99726472      -0.95494862      -0.14146070       0.97162585 
O       3.40149453       4.95630650       1.39914140      -1.44132804       0.67357225       0.99783506 
O       5.34399421       6.94220377       1.04877512      -1.19660125       0.43698687      -1.91831131 
O       9.19670612       0.06106633       3.41606887      -1.51445612       0.62733097       2.36886619 
O       9.04658350       3.82779567       8.85564361       0.40807953      -1.82972305       0.60790255 
O       7.39108117       5.60367376       1.66254524      -0.46194133      -0.37978819      -0.98500468 
O       9.07168413       3.85734498       0.79334335      -0.90734624      -0.12834651       0.84460356 
O       9.12859004       3.60172715       3.56043450       3.07465003      -0.75335593       0.33893312 
O       7.71439131       5.04057907       4.07407806      -1.22716379       4.69988221       0.24170630 
O       3.64389318       8.88463717       1.11814529       0.87726425       2.27232988       2.79416914 
O       9.10273782       3.75705891       6.30176319      -1.22780146      -0.92712699      -2.95193961 
O       7.47086463       1.44329293       6.70839131      -2.04244690       1.73028812       0.62517037 
O       1.48021180       3.70601556       8.99226506       1.24119521       0.14605103      -0.63758017 
O       6.91619083       9.38073011       7.18489874       1.92607365      -1.00356372      -0.45078336 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03852385939771167 0.01121398492946977 -0.015976702485658942 0.01121398492946977 -0.0020629132500695644 -0.008790156158294132 -0.015976702485658942 -0.008790156158294132 -0.011379915886487013" pbc="T T T" energy=-1056.79246555 free_energy=-1056.7925058 config_type=crystal 
Hf       1.57922315       1.56618912       2.33708337      -0.71424415       2.39460461      -0.45665049 
Hf       3.47986915       7.47490323      10.20248140       1.64449091      -0.32067303       4.30043618 
Hf       5.57884417       5.53373273       2.44615030      -0.55774253      -0.94205447       1.76171153 
Hf       9.37610284       5.34803949       7.50230661      -4.08997286      -0.29291858      -1.87586188 
Hf       0.31121482       7.26749037       5.47241133      -6.77738725      -0.91083900      -4.41173897 
Hf      10.87774819       0.13863931      10.59421564      -5.56399819       2.03980800      -4.22871610 
Hf       7.18528641       3.64654300       5.40923383      -0.51655034       2.59504328      -0.70814141 
Hf       7.64314926       7.04014329       4.87884684      -0.95571557       0.75422524       2.16108365 
Hf       1.69932819       5.58000354       2.62996217       0.51225480      -1.46324889       0.89144101 
Hf      10.93466582       3.54878677       4.75188343       3.93471113       0.60091597       3.08846970 
Hf      10.64974770       4.01473143      10.25086674       1.10706785      -3.33948195       1.26881410 
Hf       1.80510322       5.38529734       7.74058243      -0.01387035      -1.28559591      -1.72694477 
Hf       8.96805012       9.02409795       7.93431445      -0.97196817       0.93465950       0.87354605 
Hf       1.56651375       1.92601637       7.96956021      -0.93014810      -1.57432172       0.46258981 
Hf       7.29700923       6.82570512       0.02908328      -1.94207239       3.87021317      -1.83479404 
Hf       8.80436277       9.28967030       2.69240340       1.65228850      -1.19464450      -0.99422650 
Hf       5.34706977       9.10945264       2.63785580       0.09093759       0.17534922       0.08087581 
Hf       5.18823144       8.82659677       7.57780907       0.76981454       4.10908768      -1.10200828 
Hf      10.56184366      10.64096592       5.39937501       4.89990310       0.63836191      -1.97805218 
Hf       3.65818934       3.43500554       5.54329985      -0.04178062       2.31102500      -0.92973253 
Hf       0.09106945       7.29915343      10.41591725      -1.68296111       0.24254410       3.08439152 
Hf       1.70039990       9.07751766       8.04791593      -1.82471035       4.66215629      -3.50180103 
Hf       7.21523858       3.21781522      10.40000893      -1.23360371      -0.95020602       1.11441558 
Hf       9.26689113       5.49846351       2.33973700       0.19415066      -1.71595002       0.21195080 
Hf       3.51023119       7.34164463       5.43467541       0.90132926      -4.56734284      -4.60008287 
Hf       3.82168726      10.92169205       0.24023613       0.03720246      -0.34257879      -0.12877975 
Hf       6.83546593       0.06235585       5.26256554       3.70948018      -0.32613067       5.77172343 
Hf       5.39234796       1.99853315       2.92807214      -0.20284793      -1.34224229      -3.67279272 
Hf       5.36166339       1.49491947       8.02722148       0.03542073      -3.29959501      -1.39633107 
Hf       1.46758282       8.89979052       2.64479409       1.93805755       0.76278921      -1.87661907 
Hf       3.46792613      10.81604718       4.91905390      -1.60596682      -1.71461185       2.44707452 
Hf       3.51963779       3.42317382      10.53160732      -0.53276984      -0.33072604       2.32691630 
Hf       7.36852660      10.56968377      10.42311606      -0.63740313      -0.48388205      -0.23036951 
Hf       8.97527122       1.97802714       2.47203861       1.05642660      -2.45367622      -1.22707805 
Hf       5.41244762       5.30397884       8.17301670       1.15553644      -0.87702959      -2.90605618 
Hf       9.04621647       1.59050202       7.93256003      -0.00764933       0.77455678      -0.30773571 
O      10.82235203       8.43769120       1.74942594      -2.73398189       0.72139267      -0.41305662 
O       5.73797690       6.96461186       3.86647636      -1.08244393       0.79999097      -2.89735938 
O      10.68347103       5.59126729       4.06500833       1.55229194      -0.14559255      -0.60271034 
O       0.52888008       1.60938786       4.11134524      -0.98020417       0.11900657       1.13339076 
O       2.04989970      10.64076794       3.52053185      -0.91296078       0.46703829      -1.35013819 
O       1.48395624      10.92665348       0.81129956       6.31668349      -0.69173578       4.02078845 
O       1.64048822       3.03187809       0.52741289       2.04165885      -0.04042704       0.40104193 
O       0.03755783       2.08130025       9.64145706      -1.64957514      -0.14723046      -1.89443343 
O       0.90864189      10.93432772       8.82381390       2.36319748      -1.34765043      -1.90386223 
O       1.64226770      10.57957036       6.16246642       0.05680374       0.41005279      -0.29485329 
O      10.86327882       1.67719838       6.84274867      -1.60104379       0.14339897      -0.50349079 
O       1.16682846       3.63095480       2.89064509       0.92161717       0.27389924       1.93559047 
O       1.80313607       7.34768533       0.94487091       1.13404484       0.47186623       0.00432201 
O       1.92509366       7.27519321       9.07146864      -1.76192838      -1.74119370      -0.97842597 
O      10.62823099       1.84479144       1.38146495      -0.73915104      -1.43170169       1.65645966 
O       3.58295448       5.23006353       6.91472018       2.41625167       1.12089370       1.35252250 
O       3.21764255       2.03356354       6.82011996       2.81089176      -2.49711489       1.85110203 
O       5.42049963       2.94438304       9.22938763      -1.12758347       4.17605926      -0.14924027 
O       0.09083872       5.45001838       1.20496232      -0.10220089      -0.29728375      -0.29065561 
O       1.77801341       7.27353206       6.58406592       2.71101893      -0.52188338       2.84823435 
O      10.84114716       8.93543817       6.97248242      -0.37051438      -0.76805826      -0.35240953 
O       3.93285352       1.72570826       4.34711241      -1.47473347       1.06954545       0.29706160 
O       5.64015274       0.05165195       3.89617272      -4.25517836      -1.59859651      -5.77234991 
O       5.68032763      10.63020428       1.08530646      -3.26771439       1.92570308      -0.78694617 
O       3.67453229       1.46333628       1.80777267      -2.12752995      -1.73383292      -1.03030288 
O       3.39544967       1.22890834       9.34849291      -0.09496933       2.04849147       0.55618692 
O       5.40624959      10.52428430       9.00533883       0.69350612       1.08429436       0.58166759 
O      10.49028630       9.09438102       9.98849859       1.63864644      -1.91636353      -2.11566434 
O       2.89664720       5.41229490       4.46282448       0.63807427      -0.54127128      -0.82871392 
O       5.15515966       3.75425001       3.55281106      -0.09132273       3.12829537       1.55866692 
O       5.24953815       2.97493505       1.04237019       0.23735454       2.26055305      -0.91959395 
O       9.35763058       6.81070022       6.07266678      -0.02892722       1.34948226      -2.27908571 
O       4.08662350       5.14265503       9.59724063      -1.59737801       1.88646111      -0.42575789 
O       5.59911529       3.53331077       6.52807702      -3.03168876       0.00001951       1.50506718 
O      10.47182587       5.72804517       9.07645896       3.83859157      -0.74112774       2.27296513 
O       8.98638641      10.60210444       6.36303501      -1.77760436       1.17511795       0.71868248 
O       1.84687330       3.68455353       6.32226897      -1.06159921      -0.57469003      -1.46783821 
O       7.34106572       1.77538222       1.32238354       0.82592224       0.20709189       0.92750161 
O       9.06045369      10.60746806       0.85631210      -0.57606090      -0.44585297       2.74630649 
O       7.19031039       9.18971904       4.26096861       1.44185949      -0.86999717      -0.63951438 
O       7.03613471       2.03434547       4.22496649       1.68044114      -1.45804119      -0.68966954 
O       3.39571798       8.99670982       6.30336742       0.63452398       3.02097653       4.77196975 
O       8.80586298       7.12736313       8.29246349      -0.80011386      -0.64296972       0.72471777 
O       7.21285894       1.44595864       9.24812082       0.97358394      -0.11098191       1.92421462 
O       7.82051770       8.74094868       9.59717441      -2.03467480       1.34154886       1.92764363 
O       5.19040873       7.62550539       9.08642822       0.36611865      -2.79357761      -0.01601689 
O       8.93311845       7.15827790       3.23923909      -2.39525657       2.49342347      -0.31148550 
O       5.25790875       7.26961551       6.24007173       1.47883744       0.01608115       2.48814797 
O       7.02119631       9.09572105       1.54681690       3.86873539      -2.96807019       0.76818682 
O       9.06653470       6.71265728       0.47097822       3.00371443      -0.19385967       1.98842292 
O       6.75288804       5.19091949       9.85011039      -0.60512568      -1.22513339      -3.24728886 
O       3.26412042       9.43354701       9.14785140       0.73974522      -1.63472280       2.36964222 
O       9.28649667       0.01537762       9.06098494      -1.80198479      -0.53617716      -1.38563886 
O       7.20652626       5.52366833       6.62926436      -0.58543838       0.13248220       1.83249626 
O       5.04617561       0.15507254       6.25721832       0.64770721      -0.51728792       0.86860062 
O       0.22191082       5.06001118       6.60937155      -1.73253307       2.30264910      -0.23715852 
O      10.35381803       8.77516481       4.21063445       1.90043822       1.82794611       2.14738387 
O       1.68293681       7.40671659       3.86888053       0.01515191       0.12553663       0.45168834 
O       3.91595334       8.78882629       4.04491208       0.21928614       1.38411529      -0.19868055 
O       3.07232556       5.19118068       1.30606357       2.21448361      -0.78340530       0.22524125 
O       5.44898851       6.88808749       0.91943975      -1.64671650       0.91145916       1.24306689 
O       9.45875304       0.04519985       3.55738515      -1.66805004       1.56058514      -0.15625290 
O       8.89699093       3.57814206       8.79684281       0.12191025      -0.27736560      -0.14176833 
O       7.29975207       5.05161264       1.63313118      -1.15177192       1.87717196       0.49616657 
O       8.92249102       3.84853614       0.72594454       2.28070497      -1.04658118       0.35450810 
O       9.52920790       3.50154406       3.55971683      -4.24291014       0.08257674      -3.50649291 
O       7.42862782       5.35785223       4.12536819       0.36331622      -4.20883155      -1.28405128 
O       3.42339820       9.18704786       1.57285008       1.61691113      -0.02023284      -1.48302896 
O       8.93498875       3.79914123       6.01479900       3.60287878      -1.14714481       1.08213825 
O       7.22296497       1.57407208       6.91637756       0.31730448       0.11149871      -1.74639425 
O       1.61991855       3.81214546       8.83357281       0.54886878      -0.03508581       1.22400110 
O       6.99969670       9.55053178       7.11298792      -0.01179863      -1.53457856      -0.66611142 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.021590585838612186 -0.0043283427494637434 -0.00932354928044148 -0.0043283427494637434 -0.00470407799749115 -0.0008472237657058191 -0.00932354928044148 -0.0008472237657058191 -0.005776163501486541" pbc="T T T" energy=-1061.19611953 free_energy=-1061.19617945 config_type=crystal 
Hf       2.05152491       1.56812056       2.55912860      -1.14378971       2.04213560      -0.74268146 
Hf       3.51507396       7.02257852       0.26328214      -1.65914398       0.21689244       1.20547647 
Hf       5.41319515       5.89752825       2.58395444       1.06497946      -4.21432409       2.32679182 
Hf       8.93072259       5.15569080       7.97221885       1.20100310       1.84825101      -0.68151811 
Hf      10.89538111       7.28864893       5.38697001      -1.10511843       1.34515938       0.35354690 
Hf      10.70107349      10.82333347      10.13912661       0.80880100       0.18209101      -0.93747941 
Hf       7.53927860       3.86817828       5.08989254      -1.01510063      -1.08694403      -1.54239219 
Hf       7.06673361       7.18332857       5.17632396       3.19886249       0.20462001      -0.95136298 
Hf       1.62974094       5.44676861       2.95873659      -1.78038750      -1.28383315      -1.34933659 
Hf       0.00300424       3.32243746       5.37754400       1.38939185       4.13700660       0.42867380 
Hf      10.78424487       3.39159644       0.15267623       4.29966023       0.47514875      -1.07558103 
Hf       1.36843157       5.26513522       8.00226894      -1.69624773      -1.74757830       0.25093407 
Hf       8.75012389       8.94853639       7.69929100       3.24194957       1.25928626       3.98499811 
Hf       1.96181138       1.42888119       7.76997395      -5.17583570       2.02797793       1.47518642 
Hf       7.21110674       7.28733256      10.50462167       1.77145054       0.43810944       0.68122382 
Hf       9.11650162       8.99636919       2.69934403      -1.43389291      -2.25384755       0.63775734 
Hf       5.45524384       9.19169703       2.41553804      -0.33146964      -2.13379102       1.13143448 
Hf       5.13528504       8.95020839       7.85070355       0.74395324      -1.26221182       1.87501357 
Hf       0.07041542       0.18889985       5.00088817      -0.01724086      -2.51828354       1.16172296 
Hf       3.82790523       3.58299338       5.49368857      -1.84433541       4.91111275      -6.34621060 
Hf      10.80675945       7.14731532      10.55078076      -1.90881922      -1.36157317      -0.56449408 
Hf       1.60254442       8.68262441       8.24844902      -1.00584133       0.18130788      -0.72825067 
Hf       7.40456319       3.54889239      10.32551526      -1.87358539      -0.55473319       2.71827021 
Hf       8.99008352       5.39114697       2.46191258      -1.00424187      -1.50306219       0.05438601 
Hf       3.30805081       7.26031332       5.28369716       2.18153371      -0.14916800       1.70320977 
Hf       3.59560702      10.86842606      10.42291262      -1.51104829      -0.99732533       0.38198516 
Hf       7.26652252       0.14006359       4.92248324       0.44311260       1.28599750       0.01923698 
Hf       5.65242894       1.94283712       2.58590762      -1.07164843       1.53092287      -1.67995372 
Hf       5.37764041       1.93738070       7.54064626       4.07249612      -3.15064365       0.25583690 
Hf       1.43961095       9.07648385       2.31415502       2.43490092      -1.42486986       0.94553944 
Hf       3.59774081      10.95330789       5.19495234       2.97343844      -5.19383152      -4.45509769 
Hf       3.57244658       3.31348367      10.58954919      -3.76519234       2.43542257       1.25593219 
Hf       7.03316794       0.02877111      10.42133974       2.36497393      -0.32414090      -1.99801377 
Hf       9.06929792       1.48688883       2.16671952      -0.74125471       2.01985154       0.94510640 
Hf       5.25092408       5.30837165       8.08094916       2.16883168       1.51284995       1.49505240 
Hf       8.99215563       1.65698106       7.52717688       1.96373411      -0.47630211       1.18773084 
O      10.71464107       9.16426025       1.39501437      -2.80547211      -0.35783806      -0.07505219 
O       5.81200571       7.45292374       3.64855826      -0.11493431       1.87323577      -1.79423266 
O       0.13760155       5.53220623       4.58189405      -0.79500087       1.21245118      -2.42494827 
O       0.41539071       1.84817761       4.01465780      -0.16891911       0.64809078       0.51641845 
O       1.81134310      10.67459908       3.47052273       0.94661756       1.23910745      -0.32696721 
O       1.50617939      10.62939101       0.50266635       3.35874131       0.51012633       2.52042215 
O       2.00186356       3.59389810       1.61787570       1.22442481      -1.56766160       0.74588052 
O       0.21015043       1.65407640       9.29712688      -0.81647541       1.68090734       1.62839494 
O       1.54029297      10.71173554       8.71460688       1.51411863      -1.89747666      -0.76981676 
O       2.02459200       0.53337763       5.87530560      -4.15686147      -0.35488311       3.27516661 
O       0.14428384       1.73277138       6.73733971      -2.80622282      -1.27282263      -1.25482062 
O       1.87915647       4.23777598       4.52340202       3.13746558      -2.14178978      -0.21758168 
O       1.37241232       7.05718239       1.16658409       1.58998527       1.11220713       1.62223735 
O       1.53734603       6.87889486       9.38340216       2.08770139      -0.40263040      -0.94772119 
O      10.93735596       1.89457999       1.60482222       0.72316781      -0.75070183      -0.92837605 
O       3.69221999       5.52177853       7.15316926      -2.74897323      -1.27344363      -0.20572789 
O       3.42826464       2.40613075       6.87336126       4.36220931      -3.38057077       1.90363745 
O       5.17174836       3.39236040       8.72671054      -0.03439477       1.88234069       2.02027549 
O      10.84378405       4.94411313       1.53398111       0.20645157       1.20350402       1.41010287 
O       1.77060201       7.11554895       6.86991789      -0.33008002      -0.60969260      -2.21011199 
O      10.81639229       8.85623713       7.01716982       2.63389336       0.24204008      -0.16961899 
O       3.37114553       1.74997811       4.19541404       1.21502185       1.62060552      -0.87261270 
O       5.71172994      10.89282694       3.31871871      -0.39680660       2.63832105       0.65206396 
O       5.42544659      10.42331413       0.66017304      -2.22944483      -0.02109315       0.92473089 
O       3.79516968       1.49900156       1.48275230      -1.71192957      -2.48994933      -0.41692198 
O       3.18516206       1.76973309       9.51849016       0.25579604      -3.11971667      -1.48076267 
O       5.03441008      10.86472436       8.88299001      -0.58811731       0.32854277      -0.81954528 
O      10.93776790       8.82749166       9.51818564      -0.32000114       0.81709749       0.49490716 
O       4.38161128       5.70237570       4.70195328      -1.84305256      -1.47158524      -1.11213686 
O       5.57540015       3.63639566       3.56435905      -1.55774398      -0.13315469       0.59879701 
O       5.15446669       3.27154180       0.90325221       4.68192908       0.35849542       1.35832360 
O       8.92056496       7.94045380       6.13363930      -1.75026960      -2.13518965      -3.74137386 
O       4.18544651       5.21254620      10.12745384      -0.34086610       2.25000038      -1.47096772 
O       5.69482658       3.59600100       6.29483977      -0.24651510       0.31058885       0.49273876 
O      10.39954421       5.44335570       9.31013721       2.47265129      -1.63627191       1.93803342 
O       9.34196449       0.14691032       6.12467629      -1.83404559      -0.77462709      -2.55739026 
O       1.52799979       3.43192581       6.93875947       0.05876464       2.94358154       0.58937669 
O       7.18044988       1.73273566       1.18269574      -0.78367801      -0.64109085      -0.02634217 
O       9.00098222       0.26831036       0.61377203       0.12736624      -0.46894689       0.04993020 
O       7.47871340       9.31450174       4.05392909       0.48472080      -0.89221659       1.78145534 
O       7.37401446       1.99767935       3.72100191       1.52826158      -2.37449892       1.10842066 
O       3.36734555       9.30209451       7.08061793      -0.21276028       0.23119309      -1.17624343 
O       8.97934061       7.11737290       8.68262188      -1.48539846       2.13508447      -0.04674742 
O       7.07567678       1.73227803       9.07931752      -0.79505436      -1.46082560       0.45498619 
O       7.78413556       9.19333572       9.75362426      -0.60605823      -0.70437017       0.47641281 
O       5.73765545       7.18778109       9.06225500      -1.11230765       0.68674442      -1.27920045 
O       9.03516351       6.94421771       3.66743824       1.00925017       3.39781930       0.24569305 
O       5.46021304       7.22626579       6.22947312      -1.04313960       2.21284389       3.36764825 
O       7.35954641       9.12758778       1.52882795       0.96912805      -0.36880570       0.77767362 
O       9.09191669       6.89322443       1.10985850       0.12649043       2.21411892      -1.84030478 
O       7.51649396       5.44799776       9.63733364      -1.10878044      -2.15333462      -2.06107223 
O       3.47274490       8.64409698       9.71558477       0.29535195       1.72154010      -1.20081694 
O       9.46381307      10.93724859       8.50402970      -1.15602875      -1.03038729       0.75345432 
O       7.68350284       5.63635364       6.44220278      -1.51190904      -1.01307949       0.55077655 
O       5.40173298       0.38671799       5.80168649       0.20534521       0.70521523       1.82140876 
O      10.61797464       5.20454722       6.75982409       1.41164051       1.73754490       2.19503201 
O       0.17136488       9.00355217       4.11115381      -2.54397458       0.47725041       0.22861709 
O       1.85488980       7.48547434       3.95284538      -0.09127166      -2.17365382      -0.71199721 
O       4.01369707       8.90193713       4.48762502      -0.21125867       2.83501618       0.04440057 
O       3.39094839       5.87129684       2.13727114       2.03140291       0.53753114      -0.87600226 
O       5.47498557       7.37638118       1.20043224      -0.64601723      -0.19027161      -2.61136255 
O       9.45308616      10.90112370       3.50960854      -0.59537569       0.80584718      -1.10495908 
O       8.73235194       3.34703959       8.86636444       1.53357415      -0.02226645       0.15119355 
O       7.11619469       5.36616214       1.28947202      -0.41924769      -0.32610267       1.85651750 
O       9.00887864       3.39825802       1.06149687      -2.56342245       0.10039382      -1.03447235 
O       9.23375033       3.82772752       3.85425142       0.14048029      -0.52317538      -0.87623434 
O       7.14303503       5.47905287       4.02969412      -0.23800853       0.07303165      -0.99630524 
O       3.45093414       8.80610083       1.74016054       0.02227300       0.68047825      -0.32244307 
O       9.09692040       3.51745382       6.22273912       0.73875218      -1.68515728       2.34164325 
O       7.42170363       1.72451132       6.37948966      -2.45512546      -0.12612316       0.28133428 
O       1.55690512       3.84701096       9.75462434       0.66473574       1.86368721      -1.55129244 
O       6.92236388       9.70755975       7.58821051      -0.88691752       0.10155789      -3.07046733 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0008875885289662568 -0.0025401418215476685 0.00040584426932614 -0.0025401418215476685 -0.022743860712313296 -0.010553990939873288 0.00040584426932614 -0.010553990939873288 0.02138613967097528" pbc="T T T" energy=-1063.99171403 free_energy=-1063.99172205 config_type=crystal 
Hf       1.66696307       1.64903588       2.27422697      -1.45362594       0.63143254       1.94134864 
Hf       3.51085612       7.50248485      10.54649026       1.21511830      -3.77656300      -1.50893404 
Hf       5.46915741       5.27627090       2.80156280       2.06679966      -2.04264030      -2.90267840 
Hf       9.04086973       5.56805635       7.98411705      -0.23117370      -3.19194447      -3.18346844 
Hf      10.86102375       7.06711181       5.00939828       0.16048474       1.95389717       3.18219737 
Hf      10.70146331      10.91175178      10.53351906       2.37421808       2.00318963      -0.59632821 
Hf       6.96845282       3.34838904       5.60646853       3.49270149       0.53600970      -2.70944415 
Hf       7.23897519       7.20729767       5.31480994       0.36705184       0.92705843      -1.85382764 
Hf       1.72371329       5.43910171       2.61106572       1.48114011      -0.28860759       0.20342461 
Hf      10.85105291       3.60728908       5.06130617      -0.23622747      -3.65782479       0.92766658 
Hf      10.59308086       3.50646188       0.01126833      -1.43392481      -1.76488166      -1.69936978 
Hf       1.62436702       5.74733956       7.66963407       3.01861044      -2.45259100       2.15860385 
Hf       9.07920696       9.23961047       8.08215268      -0.44936788       1.18278040      -2.00166730 
Hf       1.72485107       1.93358533       7.85224156       1.77996252      -0.06812332       2.34345281 
Hf       7.36197393       7.09915877      10.51974153      -1.84495710      -0.71842619       0.01981341 
Hf       9.01897876       9.04271022       2.37135520       2.02444079       2.57980598       2.11509405 
Hf       5.78146816       8.99814450       2.19461055      -0.97133942       0.03549982       2.31238362 
Hf       5.53949285       8.94768884       7.78099006      -0.68722012      -0.14916850      -0.70943576 
Hf       0.31283247      10.74298435       5.34748083      -2.37386734       2.98987260       0.24139893 
Hf       3.30023217       3.38983987       5.24984411       0.74990830       3.02618340       0.57320866 
Hf       0.02369805       6.93458453       0.00058810       0.30970966       4.39104170       0.68018176 
Hf       1.79152643       8.90444156       7.81609659       3.18099006       1.45348854      -0.28374785 
Hf       7.01685511       3.54811813      10.36697474      -0.25216016       1.03366469       1.35866771 
Hf       9.12857656       5.38909096       2.50587657      -2.28995011       0.65199782      -1.28263340 
Hf       3.59096409       6.94994079       5.00984714       1.03339132       1.73084341       1.72730593 
Hf       3.33826329      10.72439246       0.03641804       0.03532284       1.99441864       0.00249778 
Hf       7.19666684       0.08947261       5.18504484       0.13643622      -4.86828388       2.08781976 
Hf       5.31701056       1.70148367       2.79035644       1.10165250      -2.04902923      -3.63507389 
Hf       5.04293943       1.61270414       8.25839712       2.39238289      -0.67830234      -0.85280835 
Hf       1.70239510       9.02688352       2.60776191      -1.00428576       0.31646535      -0.16038077 
Hf       3.58111223      10.64389818       5.02178871       1.67749116       0.25288041       1.57155182 
Hf       3.49675651       3.95438315       0.06114811       3.07619677      -0.14920953      -2.27955830 
Hf       7.11051401      10.72260532      10.38518711       1.15752314       2.48599998      -0.01187997 
Hf       8.98846532       1.84573212       2.76223146       0.72618646      -3.24098357      -2.32279295 
Hf       5.41166263       5.60378627       7.81180491      -1.10971079      -1.77368667       0.35844030 
Hf       9.36583948       1.70338279       7.55094204      -2.19478724      -0.66308997      -0.03320886 
O      10.84584388       9.07720760       1.39298476       0.99801900      -0.86351126       1.49744991 
O       5.41122208       6.96823370       3.75415972      -1.08944526       1.42691401       0.66438891 
O       0.11878375       5.27228171       4.14300457       0.33777844       0.94620801      -1.93703802 
O      10.82894097       1.42297481       3.78691224       0.07897793       1.12636907       1.99337826 
O       1.97187271       0.23117697       3.82983278       0.67337405      -2.16811086      -0.55194468 
O       1.40635752      10.90275822       1.16509305       3.04684232      -1.12328702      -0.14829852 
O       2.08574729       3.12964111       0.98372320      -2.78038362       2.62712122       0.40420610 
O      10.27265861       1.95442879       9.34686678       1.31995308      -1.79373192      -1.12911293 
O       1.51657740       0.45549822       9.15014631       0.50606763      -1.73582982       0.27777600 
O       2.02426573      10.83461278       6.40981335       0.86144236      -0.10016429      -0.11965562 
O       0.35088179       1.97711461       6.48906264      -2.78966966      -1.11622298      -0.30182087 
O       1.77652208       3.31942949       3.71382649      -0.59435502       0.64789956      -0.70561034 
O       1.73660916       7.07383759       1.05632373      -0.33760489      -0.28046616       1.43627083 
O       1.63502315       7.45786270       9.18234219      -0.09513794      -0.47462471      -0.53577758 
O      10.66633245       1.82091897       1.26936046       1.72759300       1.47026149       0.32463660 
O       3.59184254       5.64994653       6.68925837      -0.15678198       0.33195139      -0.41488902 
O       3.50029037       2.28405166       6.91701690      -0.59908545      -0.64475261       1.46436325 
O       5.54088120       3.61665788       8.82249335      -1.65147826       1.53417486      -1.32360107 
O       0.07191376       4.98514982       1.35758158       0.30536926       1.81966267       1.24297212 
O       1.75584504       7.28307605       6.38747799      -0.91733287       1.06923637      -0.84221266 
O       0.07928726       9.38946346       7.22472411      -1.56599162       0.09930356      -2.80548695 
O       3.95758877       1.81174595       4.41253114       0.08153123      -2.58931117      -0.78233200 
O       5.66410245      10.75872802       3.67509197      -1.55823396      -0.47443315       0.01574672 
O       5.35486070      10.43963035       0.84922394      -0.47374680       0.55068635      -0.10446822 
O       3.66322603       1.57468068       1.57423674      -0.59676381      -2.82357361       1.82200505 
O       3.79292283       1.49318437       9.77290622       0.03749072       0.62570314      -1.59173649 
O       5.68798763      10.57829256       8.82856368      -1.27956621       1.39331891       0.11815671 
O      10.56276330       9.33213367       9.48065538      -0.08901285      -1.95380501       0.50188781 
O       3.60545822       5.20932382       3.76993018      -1.28318815      -0.52516026       2.23570142 
O       5.91431218       3.26708632       3.58945667       0.64611915       5.18662021       1.81417416 
O       5.36478234       3.37816471       1.16102108      -1.01047760       1.51723476      -1.68569980 
O       9.07251471       7.41329534       6.11906502       0.77198830      -0.57320150      -1.18904146 
O       3.50924624       5.57991348       9.30073150      -0.31175007      -0.42944182       1.31552698 
O       5.25898496       3.95494848       5.92293744      -2.53992126       0.74066467       1.08301720 
O       0.06150698       5.62201837       9.37122760       0.22320160      -4.02645857      -2.15243172 
O       9.25279887      10.84046241       6.42973465       0.89664278       1.78978859      -1.04712264 
O       1.56262908       4.11878867       6.16149450       1.47667307      -1.02792366       0.14116584 
O       7.30021934       1.44902314       1.93560117      -3.00439992      -0.71447275      -1.83342390 
O       9.10948781      10.85367238       0.81345214      -3.77767707      -0.62309665       1.35063555 
O       7.29879539       8.83892468       3.84733279       0.02498993      -1.85405292      -0.29532911 
O       7.53396834       1.62573608       4.30421408       0.51828452       4.47739238       0.30534258 
O       3.63654740       8.77238013       6.73401135       0.24941004       1.31716223      -0.20176417 
O       9.24297133       7.24129775       8.68731001      -0.70192352       2.52416767       2.65783385 
O       6.46906059       1.71666726       9.69545801       2.35624962      -0.60110542       1.62902705 
O       7.34837436       8.91237370       9.50450792       0.73330959      -1.32272662      -1.60179878 
O       5.42716394       7.19170235       9.03653707      -0.53517300       2.24877024      -1.06361394 
O      10.00694023       7.24866665       3.27309383      -2.81627318      -0.35727990      -1.45911021 
O       5.49815729       7.41919657       6.23311558      -0.08700407      -1.56423964       0.32927229 
O       7.47400177       9.09665319       1.15990738      -0.77108092      -1.03487446       1.31784008 
O       9.20796352       7.03517716       0.92503071      -1.75375926      -0.50628589      -0.36135943 
O       7.07316095       5.50334145       9.29406084       1.24942979      -0.06157789      -0.27198964 
O       3.42901754       9.12673595       9.31567661       0.13525697       1.43041213       0.54101826 
O       8.47677552       0.15267011       8.77991783       0.83483051      -0.24452399       0.22675493 
O       7.21225296       5.43443653       6.68297833       0.78696191      -0.04017745       0.02119001 
O       5.24079581       0.21828964       6.33229201      -0.37812642      -0.81208385      -0.65104745 
O      10.95562870       5.63822931       6.71125615      -5.02002901       0.16643196      -0.34469076 
O       0.22725680       9.14848679       4.35857887       0.84803497      -1.64105604      -1.13481202 
O       1.66029087       7.18563054       3.75720418       1.12101552      -1.85462878      -1.27354655 
O       3.29533155       8.83627990       3.96924083       1.21591089       1.30202913       0.58381800 
O       3.76930498       5.74940872       1.46578491      -1.14187450      -2.11337709      -0.98471210 
O       5.52620640       7.41418782       0.95011260       0.55590842       0.37371532      -0.27051571 
O       8.90481242      10.72291548       3.59649338       0.15141539      -1.05943642      -0.72538308 
O       9.10562429       3.99569374       9.13063869      -0.54713631      -0.52297948       0.12766641 
O       7.19851852       5.25539698       1.19371493      -0.25878860       1.71794898       1.18980004 
O       8.72097863       3.40699115       0.89858384       2.04491918       0.10884897       0.32292941 
O       9.24988632       3.66350968       3.41583929       1.03667084       0.42289982       2.19801726 
O       7.55234232       5.64103799       3.74258155      -0.26140587       0.83389305       1.44239780 
O       3.45172231       8.95830137       1.23753213      -1.39796235       1.26205319       2.65943944 
O       9.05811863       3.38007018       6.34522495       1.74879943       1.30315883      -1.05433761 
O       7.26962493       1.85268294       6.77315732      -0.97713841      -1.63457167       1.87874400 
O       1.88880366       3.45916078       9.06805025      -0.42328232       0.98062518       0.08548392 
O       7.32577914       9.18165257       6.76386831      -1.13564507      -0.53083781      -0.13148512 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.004876513062647731 -0.006881670539228481 -0.003086555062531593 -0.006881670539228481 -0.009736978231657393 -0.0014655058559196773 -0.003086555062531593 -0.0014655058559196773 -0.01044167489577189" pbc="T T T" energy=-1064.1537392 free_energy=-1064.15374184 config_type=crystal 
Hf       1.55610029       1.49653340       2.57644781       2.17401966       2.11394912      -0.81289865 
Hf       3.67941735       7.32644592       0.21908814      -3.29856217       0.28214470      -1.42150520 
Hf       5.68421931       5.02940055       2.50354265      -2.36306126       0.44775198      -0.57516552 
Hf       9.08606794       5.30819383       7.63418710       1.42587470       0.39486967       1.28956163 
Hf      10.61002672       7.14365328       5.40046214       6.81232230       1.97027889      -2.93923670 
Hf      10.89470940       0.06519302      10.26482293      -1.95364165       0.58457356      -1.19791389 
Hf       7.04914573       3.68140718       5.50182316      -1.91374857      -0.59696043      -1.20801078 
Hf       7.15393275       7.09829325       4.89795204      -1.47026515       2.17539534       2.71268747 
Hf       1.74450909       5.28213499       2.33595659      -0.27558829       2.90561644       0.70423103 
Hf      10.94476944       3.43577925       4.84701883       0.67595576       1.14787860       1.58963812 
Hf      10.84858321       3.51213337      10.43191400       4.07559922       2.43307428       0.96114704 
Hf       1.69657527       5.47508669       8.03599933       1.12633428       0.29092005       0.76183328 
Hf       8.95446720       9.17007953       8.09797384       0.93576400       1.95995346      -0.41595913 
Hf       1.55074456       1.77690938       7.83312403       0.82096485       1.31878071      -1.42170040 
Hf       7.09142110       7.26979847      10.42472986       2.39513082       0.98155359       0.23610505 
Hf       9.18867197       8.99038086       2.32521705       0.20749138      -1.18275669      -0.42252210 
Hf       5.37825614       9.08373814       2.74671823       0.57061022      -0.45386526       0.06291933 
Hf       5.62888844       9.23837748       7.79244143      -0.81760294      -0.29973042      -0.30606798 
Hf      10.84588475      10.76889212       4.91682883      -0.23764277      -3.67943729       4.15434795 
Hf       3.64284075       3.44587970       5.38202721      -0.54563484       0.00135937      -0.11378647 
Hf      10.80031721       7.27422853      10.36236633      -0.00668210      -0.35903859       2.12709735 
Hf       1.73542898       9.16576462       7.70079341       1.29557308      -1.84952137       0.90319536 
Hf       7.38067275       3.62417545      10.43757160      -1.02928065       0.69286231       0.88422376 
Hf       9.12757376       5.40177538       2.65116830       2.68692342       0.56963215      -1.72823914 
Hf       3.69063904       7.11479014       5.18118672      -1.34276503      -0.53565757      -0.16619713 
Hf       3.51352116       0.03020482       0.08779108      -0.31023340      -0.36128287      -2.03107938 
Hf       7.42926042      10.55870805       5.13533683      -1.74498610       4.76532589       3.13908167 
Hf       5.25258863       1.51935157       2.80860483      -0.08641824       3.20087402      -0.68263449 
Hf       5.38929573       1.71280999       8.11604495      -0.58718587      -0.37227527      -0.23785556 
Hf       1.84976601       8.85269484       2.69531617       0.15864705      -2.59455022      -1.01274097 
Hf       3.77591890      10.80760273       5.55842035       0.48849464       0.29585361      -0.74667186 
Hf       3.60320084       3.81289945      10.25103712      -0.68936404       1.31908083       2.68433995 
Hf       7.08573449       0.11210464       0.28581806       3.40608135      -4.42328074      -4.81928108 
Hf       8.87411798       1.53851043       2.55373034       2.14116914       2.17458692       1.80318117 
Hf       5.22006881       5.54061409       8.02364365       0.02125685      -0.30633303      -1.86340282 
Hf       8.82076139       1.96483797       7.52409702       3.85598307      -3.16840974       3.42491440 
O       0.07495580       8.58827364       1.57641611       1.75995191       0.17704055      -0.43382154 
O       5.59351930       7.21879424       3.57395129      -0.43555545      -0.58573227      -0.75734061 
O       0.37935709       5.90904552       4.01022678      -1.42763665      -1.60619950       1.25320445 
O      10.58973982       1.58044518       4.10916970       2.05804428      -0.30816910      -1.26037238 
O       1.83483726      10.66503932       3.42456123      -1.85797694       1.75209721       1.34395481 
O       1.51657608      10.73880519       0.70409982       2.19835267       1.14293312       1.94406320 
O       1.77157337       3.99635592       0.86384636       0.02063596      -2.21439232      -3.02820232 
O      10.80000288       2.05649302       9.10274820       0.01752714      -1.44918844       0.98461407 
O       1.47675606      10.89316438       8.84070317       0.67121972       1.99274797      -1.27126254 
O       1.80070877      10.57461627       6.12655889      -0.75374764       2.84138046      -1.17666158 
O      10.53872332       1.96984804       6.57265377       2.76173398       0.22509433      -0.80857211 
O       1.64246534       3.55074045       3.38938296      -0.90133683      -2.59187542       2.14640188 
O       1.88058842       6.69882763       0.65195065      -1.57587210       1.91587109       0.53329087 
O       0.93431190       7.25572155       8.68087330       0.69241947       0.17910900      -1.13832526 
O       0.03546107       1.91675330       1.49464180      -1.02978477      -1.21399236      -1.37660215 
O       3.38745288       5.86408977       7.13317536       1.15668380       0.06695317      -1.47495953 
O       3.61615445       1.59031949       7.32328162      -3.41231722      -0.30146642      -2.11690809 
O       5.16789886       3.53796477       8.82903742      -0.24768414       3.77714265       3.18060851 
O      10.81979260       5.57738264       1.50600940      -1.67501522      -0.18696448      -0.74836526 
O       1.82490663       7.54790076       5.90218729      -1.43008243       0.12603016       0.60939219 
O      10.94979967       9.26914598       6.81873309      -3.56847331      -1.70611886      -0.83172476 
O       3.83377600       1.64651205       4.47859739      -0.84311394      -0.62599839      -0.22720980 
O       5.52983919      10.90886082       3.91011861      -0.01980463      -1.49781622      -0.46039074 
O       5.44085072      10.95019014       1.16615489      -5.59564009      -0.14572809       0.73952262 
O       3.43174383       1.80693057       1.82363868      -0.24073619      -2.02180024       0.08029090 
O       3.51827716       2.01799210       9.88414647      -0.46712056      -5.13528925       0.38130088 
O       4.68885674      10.89834799       8.83848511       0.88933847      -1.92863922       2.99631047 
O      10.64007782       9.25836769       9.41045062      -0.73842027      -1.37183911       1.09923794 
O       4.05098757       5.16772970       4.62422181      -0.82428121       2.27504257      -0.57768713 
O       5.25077519       3.45167465       3.65338925       1.80853093      -0.90500383      -0.23857396 
O       5.74685761       3.31213805       0.96358029      -1.63590712       2.29477266       1.13383399 
O       8.96959624       6.69604097       6.17529414      -2.37127640       0.26616263       0.79840484 
O       3.24100885       5.76468269       9.47061842       3.22560144      -0.64778348       1.54627957 
O       5.07180805       3.71024787       6.67900245       1.27898699      -0.81128223      -2.84822466 
O      10.49549587       5.18862136       9.27998932      -0.07696879       0.28280105       1.06520935 
O       9.11860408      10.77455801       6.14875427       0.16341616       0.47247212       0.00061831 
O       1.86781602       3.43613236       6.33423521      -0.83399157      -1.27517386      -1.74141944 
O       7.24780485       1.44358984       1.54301926       0.78044850       3.34761347       3.25215963 
O       9.26946053      10.58536980       0.89452527       0.04339185       2.00278711       0.52817990 
O       7.03058155       9.05089425       4.22320526      -0.35031607      -4.51430328      -2.17184393 
O       7.44405716       1.89993222       4.09368123      -0.07167846       0.59797274       0.68555064 
O       3.73736451       9.29972988       6.86435137       0.66835818      -1.22416099       1.84939247 
O       8.77749921       7.33205835       9.13795442       1.11810139      -0.58589140      -2.74188649 
O       6.80970794       1.73558806       9.73470708       0.44406032       0.03974025      -1.15227794 
O       7.30571366       9.61712936       9.29684723      -1.94944646      -1.68281936       0.34235366 
O       5.81112288       7.39822383       8.73377309      -1.28754803       1.48553337       1.09674891 
O       8.98672397       7.19012951       3.50039670      -1.54299106       0.49444994       2.11843198 
O       5.41156479       7.26190719       6.22963724       0.81690917       0.09294377      -0.44561583 
O       7.25085610       9.45663404       1.69235097      -1.31551763      -1.44092222       0.27367049 
O       8.98210032       7.49799826       0.89890665      -1.51073176       0.08721702      -0.29591069 
O       6.80113519       5.50459098       9.69787005      -0.40964392      -2.20589354      -0.38533412 
O       2.88644935       8.83382773       9.60200327       1.77229470      -0.05006384       0.67567307 
O       8.99564675       0.19591333       8.69692798       0.79215395       1.49088347      -0.44461202 
O       6.87754343       5.24596145       6.84837758       3.01731399      -0.02533101      -0.25233670 
O       5.65075969       0.19702000       6.54614430       0.56760609      -2.59768825      -1.06885268 
O       0.23342700       5.17602120       6.89976135      -5.20895537       0.83434454      -3.43196145 
O      10.65028476       8.85302812       4.03152018       1.10881570       1.71902486       1.13231209 
O       2.70506072       7.08486207       3.23634375      -1.71729121       1.30460962       0.11312715 
O       3.70092891       9.10820684       4.27740328       0.97078062       0.56293473      -0.52553759 
O       3.71526319       5.48550968       1.82282269       3.53617892      -1.64675862      -1.71233917 
O       5.51486913       7.28251028       1.03376655       0.58041322       0.61552092       0.26188239 
O       8.76910045      10.77341125       3.67635597       2.50865292      -0.47675654      -2.41265094 
O       8.44668728       3.68450828       8.65328605       0.51101499      -1.08081274      -1.24183398 
O       7.69436341       5.19980930       1.39967678      -3.19411850      -0.05860068      -0.12658949 
O       9.23515850       3.36963207       0.68975110      -3.96967369      -1.07480560       0.11959715 
O       9.55056936       3.56354232       3.21538899       0.08293123      -0.40233601       1.13642381 
O       7.13521387       5.33092107       4.03705789       0.84347059      -2.55195786       0.15328851 
O       3.57194491       9.23517165       1.50395514       0.20754968      -0.49559112       0.45403397 
O       9.11822687       3.90880039       5.75259188      -2.15573247       0.30549171       1.89966525 
O       7.04606172       2.00286570       6.90140768      -0.06125853       1.65362199      -1.95093978 
O       1.91153879       3.53810478       8.80956530       0.08769376       0.87210637       1.12399073 
O       7.33099168       8.80716598       6.67149295       0.94992473       1.39623706       0.58886890 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003301973035506174 -0.003757752373763761 0.003129835734025461 -0.003757752373763761 -0.014525560389452914 0.006485719617361178 0.003129835734025461 0.006485719617361178 0.003052275907982092" pbc="T T T" energy=-1063.06871294 free_energy=-1063.06871426 config_type=crystal 
Hf       1.61350184       1.50083768       2.60095010      -2.05786931      -0.67045883       0.96748502 
Hf       3.66072050       7.29234461       0.17930411       0.10291971       0.47368409      -1.57320361 
Hf       5.58986372       4.99499554       2.44617879       0.84594947       0.64297695       0.13926591 
Hf       9.14134402       5.25490604       7.55056270      -3.90157407       3.26294459       0.87407878 
Hf      10.68516899       7.16593658       5.46993871      -1.82967765      -0.40619209      -2.72832534 
Hf      10.90989354       0.10455990      10.23152047      -1.37921584       2.78257872       2.09504244 
Hf       7.03184292       3.73839821       5.32403496       1.76942615      -0.43482204      -0.66389732 
Hf       7.14650009       7.02750215       4.87462585       0.39414208      -1.22903983       1.97664900 
Hf       1.67567199       5.25039020       2.37415105      -0.52506663      -0.41510239      -0.17861563 
Hf      10.86158371       3.45368234       4.89160058       1.44743330      -0.69328962       1.44804644 
Hf      10.95497638       3.71394278      10.46028790      -0.75897004      -3.81582521       0.79047786 
Hf       1.63367348       5.53101247       8.10180517       1.36667187      -0.31126202      -1.48936012 
Hf       8.96727433       9.11454948       8.05556615      -0.46313271       2.23628521       0.31742578 
Hf       1.49377829       1.78129287       7.78969128       1.16589066       0.96809843      -3.21424234 
Hf       7.02104939       7.42347401      10.35070621      -0.12193531      -2.26220224       1.20940621 
Hf       9.19071943       8.90352914       2.25953238      -0.71605292       1.20504578       2.92095200 
Hf       5.26947883       8.93896260       2.83934326       1.76658959      -0.51805206      -1.22513405 
Hf       5.63076553       9.23059664       7.88511345      -0.85117012      -0.82318785       0.70310580 
Hf      10.71382189      10.70881730       5.01394674       3.54836609       2.14479385      -1.68976490 
Hf       3.79205128       3.40180776       5.25206005      -2.41711372       0.74977992       0.27373964 
Hf      10.73315145       7.34506510      10.33055713       1.01555596      -0.48141226       0.58953434 
Hf       1.69178257       9.09196632       7.68789256       2.25506389       0.07944949       0.55308555 
Hf       7.40850253       3.61885850      10.49250855      -5.04394637       0.12401830       0.17740362 
Hf       9.25273335       5.42205932       2.64469673      -2.40966291      -2.03166939       1.42636439 
Hf       3.63705817       7.10669716       5.23837330       0.51547904      -0.07662471       0.66067015 
Hf       3.48915173       0.05742730       0.08686157       1.24911286      -0.68832303      -0.70127231 
Hf       7.38275516      10.59731710       5.12256938       0.56167912      -0.64321789       0.85007892 
Hf       5.25745167       1.64715988       2.79149214      -1.01780872      -0.49579601      -1.84526696 
Hf       5.42448542       1.80868057       8.05382310      -1.76302755      -0.86725303       0.31359071 
Hf       1.80810100       8.89345368       2.68733857       0.51330121       1.99166297       0.75612598 
Hf       3.84763917      10.91784069       5.65273466      -1.03145216      -1.08148747      -0.61461200 
Hf       3.62157636       3.69918757      10.34390843       1.20420636      -1.24854076       2.63374074 
Hf       7.22528753       0.04290841       0.40555003      -2.27381957      -1.13054202      -1.06577736 
Hf       8.86516003       1.57689555       2.52901685       4.18677190       3.35431986       1.93035504 
Hf       5.27932718       5.54900463       8.04033766       1.25673160       1.86810590      -0.98351056 
Hf       8.85268027       2.00576608       7.61557115       2.06077875      -4.35671170      -2.08618382 
O       0.49881375       8.56555320       1.31300622      -3.28479143       0.53072226       1.41971584 
O       5.51179992       6.99962012       3.51629258      -1.08645752       0.73915204       1.39598285 
O       0.06095371       5.38712020       4.26471183       0.42672623       2.36963769      -2.14821682 
O      10.86547923       1.57262216       4.00422289      -0.35383809      -0.12204705       1.18387376 
O       1.26546938      10.61865249       3.68344147       3.33116875      -0.49921044      -1.95396255 
O       1.90645137      10.94957946       1.31150880      -1.77320759      -2.12724872      -2.70942879 
O       1.74629086       3.68952832       0.63449390       0.50008685       1.21447443       1.95768588 
O      10.92461599       1.93806578       9.28665456      -0.18905180       1.90455263       0.38111303 
O       1.35287679       0.02705266       8.72576159       0.84392528      -2.52521398       1.34362880 
O       1.72035242       0.19071865       6.29019352      -1.34869372      -3.14557449      -0.93291504 
O      10.88066359       2.04780261       6.52244323      -3.16739306      -0.14173124       1.83898487 
O       1.52622558       3.40537482       3.37845029       1.35442943       2.42707985      -0.69140056 
O       1.75527062       6.90904062       0.25231832       0.27921661      -1.59065309       1.21759413 
O       0.96478996       7.39773070       8.43299142       0.34731930      -1.41905015       0.76444828 
O      10.82665828       1.64882443       1.43579497       1.63595006      -0.09328897      -0.71317545 
O       3.38788959       5.58812018       6.89559989      -0.60410842       1.15129415       1.31463064 
O       3.52792283       1.34825040       6.98684071       2.32722737       2.15107290       1.86384190 
O       5.14685972       3.84240023       9.05361586       0.83319109      -3.37753562      -2.43443939 
O      10.77169609       5.70302430       1.40781573       1.12890563      -0.99186356       0.26817839 
O       1.54111676       7.79830134       5.81734247       3.35857397      -0.00097555       1.03666316 
O      10.39410357       8.56537659       6.90778795       2.42868046       1.12557555      -0.63491652 
O       3.68988526       1.57649247       4.33744150      -0.19704228      -0.13943185      -0.39433048 
O       5.68347167       0.03681139       4.07670682      -0.91173838      -0.89600406      -1.43946383 
O       5.02016552       0.10260677       1.20154011       3.95337566      -0.30197253       1.23060669 
O       3.48999502       1.74519735       1.75121501      -0.49409045       1.61131609       0.05740658 
O       3.71392799       1.62111199       9.53035117      -0.60101428       3.14959287       0.07189358 
O       4.90925487      10.55985109       9.22326490       1.45594961      -0.21230296      -1.29843306 
O      10.58231166       9.22266603       9.73877629      -0.86170661       0.18417933      -1.77365318 
O       4.04513674       5.30323821       4.48929952      -0.72127118      -1.18812631      -0.74665821 
O       5.47908990       3.40575630       3.74173941      -1.05248347       0.61174330      -0.09029757 
O       5.46927092       3.43756584       0.98449635      -0.35192788      -0.68120851      -0.30786695 
O       8.79384206       6.66385772       6.03970168       1.12190225       1.46575734       0.08590645 
O       3.53687925       5.52799376       9.61704097      -0.89349027       1.50508320      -3.16349054 
O       5.40470184       3.33667105       6.41350480      -2.51475520       0.12274724       1.90692650 
O      10.67388453       5.40858706       9.59068254      -0.13584794      -0.85844988      -2.66357502 
O       9.17775980      10.49178683       6.06037158      -2.32719539       2.11555288       2.14585044 
O       1.98509847       3.34572016       6.05190324      -0.25379754       0.18789250      -0.10558129 
O       7.06690628       1.69967078       1.76168915       0.18840139      -2.04624678      -2.13790838 
O       9.18380039      10.85146541       0.96762972      -1.34060787      -0.85591377      -0.62858424 
O       7.31025032       8.74952416       3.95319720      -0.99137119       3.18845943       2.20599461 
O       7.62372646       2.27353434       4.09306602       1.38225525      -2.35524540      -1.17228804 
O       3.82759824       9.13442367       7.00715698      -2.54133800       0.49368488      -1.21990552 
O       9.09894858       7.27814968       8.78193309      -1.09963503      -1.29361673       0.50917490 
O       6.87866226       1.61652296       9.54188204      -0.24405792       0.36063474      -0.32595445 
O       7.19122182       9.22954662       9.57551666       0.94835336       1.87098652      -0.88660549 
O       5.47180515       7.44285419       9.01009584      -0.85758145      -0.97304523      -0.45719760 
O       8.90649504       7.19335824       3.51658573       1.36427262      -0.83897902      -1.27885235 
O       5.53509248       7.22550917       6.37140854      -1.26364250       0.16071746      -1.56532250 
O       6.99108484       9.50586888       1.82452854       1.75873753       1.74785512      -1.75517171 
O       8.72639528       7.62592446       0.76345514       2.34885937      -0.39361292       0.71635593 
O       6.80666052       5.40763575       9.77807638       0.89359648       1.72531060      -1.02784719 
O       3.08751080       8.56743018       9.36547242      -0.98735313       1.14307455       0.18066875 
O       9.14946187       0.31191009       8.79821799      -0.07868847      -1.06481070      -0.43405824 
O       7.10551676       5.33175230       6.81803646      -2.56498879      -0.79439664       1.45160517 
O       5.72565841      10.88783440       6.59700694      -0.05883950       0.77425009       0.04915288 
O      10.82998321       5.33405317       6.69696981       4.99714871       0.78349931       1.42531760 
O      10.56206628       8.94302574       4.00496383       0.77837067      -2.62717772       0.04635501 
O       2.30417652       6.92117899       3.26628926      -0.36130415       0.44051583      -0.16923571 
O       3.57759010       9.06428631       4.33502968       1.16122384       0.05919651      -0.90595088 
O       4.02772152       5.31396228       1.23850936      -2.75214810       0.59539338       1.83670924 
O       5.75677345       7.48343620       1.26793224      -0.90497208      -0.60995912      -2.14227613 
O       9.14819821      10.78404876       3.46883856      -2.06902782      -0.45162922       0.62321599 
O       8.35007760       3.56352654       8.46334019       0.28601038       2.06259324       2.65180928 
O       7.39654964       4.85377675       1.57964265       1.91515504       0.91529850      -0.48122328 
O       9.06272541       3.10939190       0.58205382       2.48469178       0.51867901      -0.01311608 
O       9.73320632       3.53322367       3.27910422      -1.76896564       0.81836076      -2.10009357 
O       7.46894305       5.13985599       3.91105896      -1.24121370       1.56812767       1.19952120 
O       3.67479304       9.00212482       1.52184130      -1.73699058      -1.19398740       0.68545464 
O       8.96025657       4.14243314       5.93536678       1.32693049      -3.79410742      -0.83977144 
O       7.24210894       1.92759448       6.35939054       1.84265658      -2.02168919       3.60261565 
O       1.77749585       3.61567469       8.72795446      -0.01290768       1.00174552       0.82210109 
O       7.45534786       9.07730303       6.70601116      -1.65672639      -0.31544492       0.70890884 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005690839487750938 0.002637064157065498 0.0015973550960456007 0.002637064157065498 -0.020368767647916987 0.005537973288843537 0.0015973550960456007 0.005537973288843537 0.0047940187556630215" pbc="T T T" energy=-1062.75245882 free_energy=-1062.75246213 config_type=crystal 
Hf       1.45419678       1.91312215       2.60969862       3.12221276      -1.52843925       2.36241291 
Hf       3.35217412       7.11934685      10.17448568       3.76995892       0.49898355       1.26491234 
Hf       5.40297638       5.60998890       2.54781647       0.93862530       0.02634740       0.70015926 
Hf       8.91802755       5.19541441       8.25060766      -0.09907857       1.77832793      -1.60046131 
Hf      10.78212938       7.08056951       5.09547479      -1.93808477       3.11399944       2.74664493 
Hf      10.63335062      10.85903524       0.16886494      -0.22778837       0.08105568      -2.36064818 
Hf       7.47564933       3.61535291       5.24402729      -0.13820361      -0.07445346      -0.53444928 
Hf       7.15183347       7.53125016       4.86410750       2.87969752      -1.28227719       1.33413944 
Hf       1.99383369       5.52787807       2.28390212       0.24463072      -1.27458924       1.37781659 
Hf       0.03392832       3.69366727       4.89843003       0.16203239      -0.12358850       2.01459137 
Hf      10.80462796       3.52401351      10.61131675       0.35139806      -0.36790736       0.20314648 
Hf       1.59729825       5.22198249       7.73161921      -0.19060981       2.03901398      -2.09495259 
Hf       8.79584448       8.84688641       8.01321872       3.51520405       0.66514254      -3.75667705 
Hf       1.83250648       1.67487341       8.28981953      -1.22523995       1.70032066      -1.51901099 
Hf       7.23366043       7.30081480       0.07067722      -0.61662701      -1.65910431      -0.78208617 
Hf       9.17822762       9.26542686       2.57165488      -1.14160369       0.04351108       0.57958335 
Hf       5.65592906       9.30915850       2.24297728      -0.77418541      -1.04150612      -0.66293110 
Hf       5.48567928       8.71781092       8.01000919      -1.12463898      -0.67464899       0.43903702 
Hf       0.12749190      10.77770896       5.31215864      -1.20434814       0.02635215       1.23239032 
Hf       3.35260930       3.46357703       5.42035676       1.50523006      -1.89254868      -1.35595596 
Hf       0.04899841       7.23116214      10.58169107      -4.36968876       1.09172006      -0.43731245 
Hf       2.01691009       8.65675773       7.58811772      -3.32978751       2.84082585      -0.64258426 
Hf       7.14692211       3.37911624       0.03773061       1.36352134      -0.77399487      -0.63381471 
Hf       9.14999937       5.40800913       2.47721228      -3.64503509       0.18497937       1.50143105 
Hf       3.76460639       7.06535951       5.29834137      -0.86982855      -0.63498281      -1.14392436 
Hf       3.22739372      10.86835945       0.19152523       0.31483769       0.77883526      -0.48554797 
Hf       7.21464630      10.91114241       5.37341974       0.62196037       1.60847266      -0.77537533 
Hf       5.35787907       2.03217552       2.47966131      -0.19615573      -0.11308578       2.86310666 
Hf       5.41403219       1.71613787       7.78459850       0.52399703       1.61765830       0.75933371 
Hf       1.64812149       8.98307891       2.79670748       0.69276561       1.51382556      -1.26055799 
Hf       3.59345252      10.88873432       5.05079515      -2.43973339      -0.82204213      -1.64541917 
Hf       3.62405340       3.77578896      10.44667842       0.31933990      -0.70647877      -0.57381430 
Hf       7.01303311      10.93281316      10.25790823       0.99222300       0.22960714      -0.03963656 
Hf       8.88491370       1.75611840       2.63604600      -0.27038589       1.01488396       1.32432204 
Hf       5.27883887       4.92279133       7.79354387       0.77496215       3.90547228      -2.75622330 
Hf       9.36318659       1.88505934       7.61760246      -1.17512784      -4.15485496      -0.64290366 
O      10.62683925       9.02980614       1.23562890       3.16875772      -0.98161173       0.32542016 
O       5.13467533       7.52056302       3.74558987       2.78185198       1.27246542      -0.16452650 
O      10.44009839       5.37588942       4.22346312       0.54849694       1.81088190      -0.52072666 
O       0.10826445       1.91113352       4.42499736       1.32937929      -3.41090690      -1.97454728 
O       1.61224453       0.12788051       3.66810213      -1.07457141      -3.48578269       1.14586052 
O       1.43828177      10.91835212       1.33180477       0.64058205       0.14359973      -2.09490566 
O       1.76240122       3.76513644       0.69003872       0.39647328       0.10056931       1.65856994 
O       0.35581735       1.59482898       9.79326575       0.03726838       1.41717879       0.83836707 
O       2.23156366       0.01908283       9.01018013       0.09727379      -3.69271511       2.06968434 
O       2.15247536      10.38452967       6.52276178       0.81551502       1.91899762      -2.78363201 
O       0.21270526       1.26860390       6.96960632       0.19530076      -0.13047878       0.85445609 
O       1.63551530       3.85769207       3.51332220       0.53144898      -0.30468280      -0.41927259 
O       1.70777932       7.15584753       0.98830812       0.88670991       0.52972552      -1.20943604 
O       1.88669847       7.04586134       8.85611575      -2.85385831      -0.10516024       0.58377771 
O      10.69834315       1.88187060       1.72301989      -0.14095357       0.86299312      -1.99263177 
O       3.37436243       5.15744519       6.41852094       0.40701578       1.79115758       1.32676571 
O       3.48908687       2.25748172       7.24347377      -1.69204425      -0.65636922      -0.78825544 
O       5.47725006       3.53198180       9.00050891      -1.16469864      -1.77301802       2.22474776 
O      10.83538813       5.32388677       1.68092661       3.18427600       0.03042284      -1.42701489 
O       1.73631981       7.37908139       5.93773354       1.25682528      -1.64915389       1.10672821 
O       0.07539328       8.93095212       6.85691139      -0.25509985       0.99574108      -0.37303215 
O       3.13453658       1.69133108       4.25312430       1.35065714       1.78937824       2.40815260 
O       5.42685816       0.01452415       3.47552558      -1.26932265      -0.61031794       0.08185745 
O       5.34466460      10.56116439       0.69488735      -1.30177137       1.99940045      -0.72677628 
O       3.47333357       1.77860635       1.84265534      -0.34100195      -0.67811324      -1.45787533 
O       3.60279865       1.89470183       9.87565230      -0.42536334      -0.26093801      -0.26991986 
O       5.59461128       0.04370480       8.56917782       0.78095332      -5.69474641       2.58853206 
O      10.29624294       8.81838875       9.32029375       1.50202887       0.31306820       2.11952195 
O       3.76006206       5.49636510       3.78627620      -2.61812970       1.20762346       0.66884023 
O       5.09727286       3.70846302       3.56092567       0.40869826      -1.99985359      -0.86110886 
O       5.45152866       3.65675947       0.87520855      -2.00385855      -0.67838376       2.37810476 
O       8.92688898       7.58409303       6.14785261      -2.52367119       1.07676412      -0.81675222 
O       3.48637077       5.30909781       8.94865597       0.47642382      -0.73946834       1.32476371 
O       5.39745642       3.22140484       6.56634057       0.12881717       4.82823434      -5.17991146 
O      10.73411613       5.42417591       9.80405291      -0.85467985       0.51935041      -1.02805388 
O       9.12396759      10.62295151       6.13126860      -1.10971103       0.76332082       1.02349419 
O       1.48972347       3.60881503       6.34966798      -0.26806125       0.74625808      -0.76315925 
O       7.19058341       1.44874716       1.70516689      -2.34356579       0.77770213      -3.14636914 
O       9.04252003      10.88140673       1.24240075       0.05671214       1.34572928      -0.32450807 
O       7.60585493       9.42542226       3.85067146      -2.96829500      -1.96951508       0.61053937 
O       7.05761198       2.02464086       4.08150762       0.19482003      -0.99489942       0.36421686 
O       3.83529823       8.33771660       7.02359803      -0.10187441       0.72043725      -2.83444522 
O       8.53985689       7.09843294       8.74928038      -1.01981320      -0.83107449       1.14231138 
O       7.19098649       1.83742200       9.39885258      -0.76288779       0.01138325       0.82891873 
O       6.95493344       8.97882009       9.45499740       1.87570010       1.66884128      -2.05860299 
O       5.44673771       6.97427418       9.11808010      -0.05016111      -0.38657868      -0.12046278 
O       9.00719493       7.09461422       3.69684411      -1.73274113       1.73361331      -1.28809989 
O       5.37387494       6.74802719       6.49117462       2.46854932       0.06408846      -1.49393554 
O       7.35774097       9.30082997       1.12184418       0.11609066      -1.11432725       1.82279619 
O       8.97574365       7.21458133       0.93755348       3.36045509      -0.21701504       0.01695091 
O       7.33026354       4.97534080       9.70081014       1.82428310       2.49967703      -1.70649550 
O       3.63614104       8.84941768       9.31216936       0.24057418       1.39376953       0.41461014 
O       9.13366102       0.44420006       9.10928450      -0.27261531      -2.60829800       0.46283614 
O       7.36517648       4.85431042       6.96746426       0.45333356      -0.19490720       0.51038093 
O       5.13278564       0.30913439       6.10756827       1.23042165      -0.24226611       0.30334981 
O      10.44290203       6.10477709       7.01142006       2.52509419      -3.30810972       0.84147788 
O      10.59123170       9.04933893       4.08582012       2.62455722      -0.34941400      -0.35114298 
O       1.54846352       7.04199661       3.48117330      -1.56320423       0.15750087      -0.35368004 
O       3.00091392       8.87505417       4.18245899       1.69017856       1.69260854       1.05758302 
O       3.76776807       5.59707320       1.10310919      -0.84513379      -0.58084343      -0.11260698 
O       5.55586769       7.46497085       1.10066771      -1.45275322       0.47659075       1.22405376 
O       9.35008311       0.23807936       3.73646339       0.10155658      -1.29195825      -0.09859403 
O       9.61481578       3.36665774       8.83485786      -0.29580807       0.84746691       1.12061287 
O       7.26960411       5.73838457       1.52817576      -1.04851340      -1.49177297       1.17525568 
O       8.87914920       3.56242152       1.11989737       0.76404794      -0.07664681      -1.05280460 
O       9.14606299       3.51649112       3.73994673      -1.64571220       0.59770465      -1.58576366 
O       6.90413879       5.39352343       4.10084368       0.80954379       0.58592544       1.39345263 
O       3.38859778       9.17850371       1.22523757      -0.70705656      -1.06517198       2.59297824 
O       9.45741279       3.19170444       6.06093300      -2.49652646       0.65279628       2.11518659 
O       7.23489046       1.64162513       6.65553988       2.21099418       0.02701439       0.66193528 
O       1.48608477       3.80081202       8.87633221      -0.23439928      -3.25436742       1.70932494 
O       6.88795733       9.10863029       6.37102271      -1.25141203      -0.13472597       1.29468838 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01277842317395523 0.005338641413784385 0.004799834600108029 0.005338641413784385 -0.013296958564632177 -0.005581996125704546 0.004799834600108029 -0.005581996125704546 -0.009488186422549002" pbc="T T T" energy=-1061.056942 free_energy=-1061.05694474 config_type=crystal 
Hf       1.49125644       1.81848061       2.70131390       4.10521342      -0.13364864       0.26213194 
Hf       3.44272875       7.05385834      10.09706861      -0.77368480       1.40718268       4.05685183 
Hf       5.48609123       5.62826527       2.57932784      -1.90567544       0.78811848       2.12127499 
Hf       8.97231760       5.18754833       8.19035409       0.80162081       1.75649295      -0.52369470 
Hf      10.78944426       7.15826311       5.09617768      -0.45435727       3.72557689       1.61180538 
Hf      10.65812959      10.89800343       0.07604656       0.44354481      -0.94696548      -2.71432468 
Hf       7.38459434       3.55020229       5.21148246      -0.54848596       0.81845885       1.28379573 
Hf       7.15911745       7.58679992       4.78508386       1.35084867      -2.25924770       4.17203440 
Hf       1.93844738       5.44703221       2.26978957      -0.14411403       4.44160681       2.75486827 
Hf       0.05526908       3.65668650       4.90396657      -2.41052869      -0.92298898      -0.96517661 
Hf      10.79937138       3.56697998       0.02050695       3.08909698       3.93390638      -0.24430583 
Hf       1.51611221       5.28361394       7.78745345       0.56459012      -0.47985125       1.54273446 
Hf       8.85770666       8.83498512       8.04407673       0.81845004       1.16726491      -2.14736693 
Hf       1.78600855       1.68141896       8.19991254      -0.79702262      -2.01979823       2.93151810 
Hf       7.14181694       7.12218018      10.56388813       3.25569297       0.38909672       1.09723801 
Hf       9.20210260       9.30665067       2.59385482      -1.38508041      -3.71458115      -2.24268742 
Hf       5.59164834       9.18035692       2.35106837      -1.53166281       0.91778696      -1.46445373 
Hf       5.37919638       8.57890626       8.13227532       1.27123614       2.32888051      -2.50213594 
Hf       0.16611673      10.75938264       5.30691483      -2.58609107      -1.16107422       1.49427625 
Hf       3.41439730       3.50462774       5.43238507      -4.10303566       2.76502099      -3.71397752 
Hf       0.09927177       7.34470399      10.52805405      -2.52037755       0.03014386       1.44915132 
Hf       2.01053063       8.71829233       7.46856198      -2.73576391       3.60758274       1.43408172 
Hf       7.20232419       3.39239393       0.09870206      -0.71647998      -1.10106068      -1.55706361 
Hf       9.19282967       5.45850752       2.47741402      -0.11350249       2.71274748      -0.71473273 
Hf       3.68413775       7.12458885       5.29152680       1.13960301       1.05002146       0.00582534 
Hf       3.31489469      10.77921935       0.22966123      -2.11010753      -0.67529723      -1.46017953 
Hf       7.20879996      10.85203096       5.27452295      -2.56940302      -0.16601024       1.21745969 
Hf       5.26986416       2.11793745       2.65190935      -1.22489326      -6.13997600      -2.97280168 
Hf       5.30585900       1.71897405       7.78871405       2.19843803      -3.62515516       1.09120556 
Hf       1.56210100       9.14634412       2.82889262       1.66793533      -2.45979875      -2.63872326 
Hf       3.65876277      10.92189518       4.98753070       2.94303685      -0.38970195      -2.49215856 
Hf       3.68126760       3.76429118      10.41063485      -2.32564439      -2.77610479       1.71514254 
Hf       6.94005837       0.01810819      10.32210240      -0.14324872       0.31991357       0.31834084 
Hf       9.07549375       1.75099099       2.56637630      -1.81796785      -1.19718491      -2.03137299 
Hf       5.28591634       4.91647443       7.80403926       0.10736405       4.90969802      -3.06528649 
Hf       9.42206490       1.78275024       7.62788378      -3.19491706      -1.56738794       0.90716903 
O      10.86214619       9.00122040       1.43649266      -1.08797756       0.30230260       0.52747900 
O       5.53065037       7.63177474       3.64944781      -3.16376423      -2.67779508      -1.45388153 
O      10.35255963       5.46766674       4.18141990       0.29245746      -1.09306222       0.31410793 
O       0.31287192       1.72939836       4.34588688      -1.56894434       1.93850550       0.62073573 
O       1.40282782      10.77583351       3.82108458       3.27342786       2.59195452      -1.74518817 
O       1.47391254      10.65986513       1.13319946       0.07645420       2.93850839       0.05795741 
O       1.80212363       3.93015659       1.29001898      -0.27213456      -4.47574574      -5.13930200 
O       0.24198068       1.90596624       9.87281011       0.70440167      -4.83863103      -2.05356226 
O       1.95037255      10.52991415       8.97661098      -0.43201132       2.46763050       0.05123810 
O       2.37473984      10.46692953       6.21681207      -4.29894582      -0.10275919       3.53451551 
O       0.25863599       1.12822861       6.90112261       0.37365222       1.83861690       1.61819746 
O       1.64239040       3.79140203       3.57497402      -0.93093812       0.07008887       1.16364579 
O       1.80774866       7.20171745       0.89663980       0.39861990      -0.60751815      -1.02587792 
O       1.48155731       7.07610461       8.92805027       2.75802632       2.26218884      -0.96030618 
O      10.84422711       1.95381525       1.65273956       0.11137914      -0.24235798       0.04982639 
O       3.23430378       5.24833847       6.77970499       1.27841261       0.74919567      -0.43512896 
O       3.21931093       2.42712946       7.18315622       2.27873766      -1.67093743      -0.39517167 
O       5.47625657       3.39748617       8.94662466      -1.74579351       2.79064923       1.02589951 
O       0.00688771       5.55395915       1.46381344      -2.02333522      -0.31968140       1.40380028 
O       1.76702060       7.24781833       6.16106084      -0.63250117      -0.75360946      -0.35373407 
O      10.87474033       9.17131734       6.58617492       1.37433983      -1.05430705       1.88154992 
O       3.23082141       1.86775543       4.36741869       0.37865748      -1.19876051      -0.94560976 
O       5.12861787      10.88465310       3.30607339      -0.54191804       1.63624000       0.31597553 
O       5.17287880      10.59404214       0.61467581       2.30128946      -0.06551739       1.12106625 
O       3.30342726       1.92217849       1.59480418       0.59521690      -1.56868030       0.90584798 
O       3.82203139       1.87226887       9.66518439      -1.50909992      -1.87127261      -0.62822520 
O       5.55130276      10.63916913       8.70280188       0.19913662       2.66824502      -0.76780186 
O      10.25357600       9.12515708       9.60512076       0.75734009      -1.53648770      -0.36531874 
O       3.77695424       5.53747224       4.18428250      -0.71197635      -1.13448186      -1.87500345 
O       5.21901725       3.62768203       3.61049061       0.67140121       3.66706136       1.83556727 
O       5.27106811       3.48387335       1.04981230       1.46213426       1.92663820      -0.91949235 
O       8.76615679       7.72669632       6.01549254       2.75037001      -1.13634204       0.82416662 
O       3.37870243       5.27492550       9.12890372       0.78860634       0.05829873       0.97370970 
O       5.03648810       3.69622769       6.20553481       7.21881706      -1.21449871       2.12249615 
O      10.73971497       5.58260318       9.63814315      -0.85615208      -2.14022373      -0.47333655 
O       8.94296976      10.89764111       5.99464216       2.75306940       0.63228999       0.69073829 
O       1.47545120       3.67594112       6.10471269      -0.56273427       0.94432632       3.39708619 
O       6.88835240       1.66334923       1.31656045       1.15604795       0.64802166       1.64032163 
O       8.94437465       0.29653082       0.94393162       0.38764437      -0.29388940      -0.41688537 
O       7.06358869       9.28965726       3.82184370       2.55347990       3.12864761       0.92690076 
O       6.96475133       1.73503226       4.35377668       0.31817070       0.68917367      -1.67637158 
O       3.82037561       8.48226459       6.88029742       0.39114926       0.50550533       1.40431763 
O       8.53302407       7.05437941       8.86325759       0.26147565       1.77565566      -1.53348236 
O       7.02792801       1.97128098       9.26998350       1.21960296      -2.14670902       2.91922930 
O       7.10919951       9.07702321       9.49696452       1.10320669      -2.23797395      -0.76289310 
O       5.19068690       6.71854788       8.98604752       1.98800712       1.28532901       0.85052275 
O       8.84451629       7.36266964       3.38084575       0.23241646      -0.60318315       0.35170224 
O       5.49542815       6.79498855       6.39906934       0.01967586      -0.29530223      -0.53565811 
O       7.41483553       9.39547348       1.43981040      -1.07484566      -0.15906112      -0.78941655 
O       9.02196986       7.29701515       0.82508442      -0.65673455      -1.36017724      -0.30712860 
O       7.50076037       5.24047874       9.81821627      -1.08474045      -1.49218343       0.38051441 
O       3.77432973       9.03863087       9.54292814       0.09862058      -2.89307521      -0.43051856 
O       9.31364980       0.20098629       8.82900850      -1.23629826      -0.26529743       0.17649228 
O       7.40101805       4.66880441       7.11321899      -2.75047836       0.50522395      -0.28220315 
O       5.29586505       0.11107817       6.14041656      -0.99442622       1.71333795       0.01748086 
O      10.76023896       5.98649404       7.08977397      -1.79313203      -1.21228828      -1.59644436 
O      10.75955826       9.05759121       4.04220179      -1.37403627      -0.91236020       1.41324476 
O       1.39064694       7.33191812       3.64825055       0.17599964      -2.84083033      -0.14986850 
O       3.37176816       9.03855702       4.43640079      -0.06808943      -1.54276547      -1.18070473 
O       3.66890463       5.63086458       1.30694843       1.66935241      -0.75955143      -1.09691844 
O       5.41760757       7.32471049       1.01965124       0.50663627       0.17659273      -0.28223061 
O       9.52827795       0.04559526       3.40170016      -0.53614228       2.08315746       1.62649571 
O       9.42765367       3.50720109       9.07754450      -0.28980164      -2.15317866      -1.12485510 
O       7.26501793       5.51679103       1.79994483       0.39039098      -1.03698040      -1.79253674 
O       9.13632125       3.35892061       1.00225380      -3.99657475       1.32457909       1.41945498 
O       9.10054344       3.28182159       3.77724006      -1.27215354       2.31424022      -0.07269595 
O       6.88857941       5.59662576       4.24201913       1.09941903      -2.58223928       0.79084448 
O       3.20579035       9.04917459       1.66665866       2.76739746       1.58937557      -0.40666017 
O       9.10920471       3.34708517       6.30732598       2.94682703       0.30129851      -1.08342137 
O       7.31739944       1.62578735       6.95441992      -1.03904383       0.68781930      -1.10937024 
O       1.68571941       3.64769020       9.24068466      -0.41210318      -0.38618110      -2.07475020 
O       6.88121358       8.99303397       6.47460348      -0.82794654       1.25141283       1.84486993 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005030301638015264 -0.002098852546182404 -0.005012397912778232 -0.002098852546182404 -0.004364295265092911 0.002073477010506631 -0.005012397912778232 0.002073477010506631 0.00250327291506562" pbc="T T T" energy=-1063.09310182 free_energy=-1063.09310293 config_type=crystal 
Hf       1.80231481       1.63822570       2.42885681      -0.60568460      -1.81452100      -1.22231809 
Hf       3.61887384       7.35354394      10.52425843      -0.93598135      -1.01292416      -0.93179097 
Hf       5.48926353       5.47873613       2.40156749       1.18677906      -1.62530838      -0.68708491 
Hf       8.96633474       5.36567865       7.95558074       0.50733953      -0.57368048      -0.05633391 
Hf      10.86499179       7.11078484       5.44854179      -1.98848261      -0.29906958      -2.29737309 
Hf       0.19878555       0.12311717      10.49262929      -4.25737713      -2.31087782      -0.31948812 
Hf       7.36314578       3.68473408       5.30404691       0.23620501      -2.38347209      -0.15056889 
Hf       7.09420052       7.36303513       5.40917208      -1.92017659      -1.39290327      -1.62735917 
Hf       1.71093037       5.27595569       2.55823428       1.42066709       0.18614459       1.53021076 
Hf       0.10332626       3.41557178       5.30009537      -5.29908956      -0.12176825      -3.03764522 
Hf      10.82575945       3.62085490       0.11189350      -1.50786693      -0.32970270      -2.40004037 
Hf       1.70502914       5.41744695       7.47874148       0.22348530      -4.58960396       1.82364880 
Hf       8.60152503       9.24830022       7.78959913       2.78768108      -1.71339751       0.49232479 
Hf       1.53260833       1.71314765       8.05146123       2.58154983       2.33488558      -1.05602956 
Hf       7.23515418       7.09166837      10.38647874       0.74364616       0.58817223       1.76259510 
Hf       9.12988920       8.94287762       2.27971323       0.06007370      -1.05019414      -1.74779324 
Hf       5.31833219       8.77009394       2.42077994       0.03129617       3.35816495      -0.52906859 
Hf       5.26869921       9.22835439       7.96329527       0.22376341       0.21304201       0.44999042 
Hf      10.78284393      10.84598927       5.30910972       0.20619753       1.07640421      -1.02471539 
Hf       3.54294087       3.45440598       5.19720633      -0.72268394      -0.30214364       2.16408458 
Hf       0.03035601       7.28221031      10.25417108       0.38208977      -0.91327272      -0.07672173 
Hf       1.76942774       9.09578087       7.82835724      -1.40512569      -0.10468407       0.91620188 
Hf       7.15258154       3.44052123      10.35098660       1.29025828      -0.97104079       0.43823610 
Hf       9.14720844       5.63905068       2.81573275      -0.51826546      -1.78985284      -0.87210569 
Hf       3.50012460       7.48848078       5.10781293       1.49939979      -3.35946529      -1.55862580 
Hf       3.63174385      10.91903040       0.06276573       1.85137732       0.08203327      -1.42957187 
Hf       7.23915114      10.65231107       4.66411149      -0.50104636       1.98971725      -0.44583892 
Hf       5.28263611       1.95570604       2.74194007       7.99135157      -5.48158052       1.13272266 
Hf       5.53983862       1.77348683       7.53818363      -2.20888697      -1.03170904       2.50868736 
Hf       1.46593997       9.01486632       2.96024261       3.37991985       2.83635395      -5.38499159 
Hf       3.58000535      10.85531524       5.44949138      -2.44241451       0.65638445      -0.09981544 
Hf       3.48554294       3.50232238      10.61919539       0.08056204       2.88486827      -0.79686289 
Hf       7.47367155      10.78742671      10.62742308      -1.68905929       0.84718644       0.58543542 
Hf       8.92220036       1.71852135       2.51286343      -0.36930100       2.59847956      -0.01922521 
Hf       5.32576967       5.38517474       8.06171045      -0.86413246       0.72719132       0.09800243 
Hf       9.10301709       1.72485556       7.87746227      -1.34223060       0.81572942       0.36566633 
O       0.09047092       9.12935279       1.29228509      -2.15307983      -0.22227512       1.79636255 
O       4.73737035       6.71365876       3.74912997       2.11161779       2.51054795      -1.04050286 
O      10.94307378       5.26304931       4.25257776       0.34135964       0.79216640      -2.84872506 
O      10.27967801       1.72828446       4.06705558       0.92292730      -1.60655814       1.62190491 
O       1.64278756       0.08896568       3.74146072      -1.62680018      -0.46360780       0.36852299 
O       1.76133159      10.94351717       0.99863802       3.55655523       0.24376758       1.49044833 
O       1.61629343       3.43967509       0.99751231       3.78511843      -0.36237583       1.21095854 
O      10.65927197       1.76824307       9.37834318       0.55870518       0.30843858      -0.47980494 
O       1.61500840       0.03225830       9.11225732       2.07706522      -0.69568850      -1.31324901 
O       1.59922672      10.55600762       6.42364593      -0.16436815       0.93211344      -0.00513275 
O       0.04468777       1.79436864       6.67823376      -1.16236290      -2.41726359       0.11483505 
O       1.53958040       3.02372310       3.72156663       0.75081782       1.49497973       0.48068296 
O       1.74064600       7.26369445       0.66997659      -0.27221535      -1.63639000       1.19515102 
O       1.78865991       6.72615737       8.89793034       0.09075893       1.93101903      -1.18719989 
O      10.87615333       1.60056653       1.24480109       0.58105993       1.05362145       2.12163488 
O       3.65269786       4.70157775       6.91837784       0.49415774       1.50946381       0.63157058 
O       3.40184424       1.77430426       7.08622505      -0.61756726      -1.58426360      -2.11629987 
O       5.52699983       3.48424684       8.68762452       1.05159816      -0.05007523       0.45527249 
O      10.93315301       5.06725408       1.57119664       0.24709416       1.19328729       1.23493014 
O       1.95835115       6.77403454       6.06826085      -2.05173995       0.82760878       0.93432352 
O      10.91554092       8.56237431       6.78030798       0.09833649       0.37574570       1.26112713 
O       3.94499397       1.02062141       3.94112202      -0.53938159       2.85163977       0.67612660 
O       6.02565144      10.71224839       3.13981340      -1.29786079      -1.12584023       0.34154508 
O       5.47781451      10.63364501       0.84149931      -0.90363662      -1.26066507      -1.30685733 
O       3.89404013       1.60560125       1.65964639      -6.69613329       0.31814020      -5.24398565 
O       3.44540738       1.88597932       9.62824022      -0.04715741      -2.51099950       1.17111299 
O       5.16317551       0.07210582       8.82374279      -0.70122605      -1.32493995      -0.69371458 
O       0.41829690       8.98838786       9.21507611      -0.77038453      -1.04291784       1.66866688 
O       3.01698396       5.05335596       4.28563629      -0.41823754       0.23099972      -0.03032382 
O       5.34620622       3.67435415       3.34861554      -0.11014453       3.93848034       2.61048968 
O       5.38398678       3.86088717       0.57817859       1.57402653      -1.29637842       0.83190372 
O       8.70497115       7.14225595       6.33107255       2.65142823       0.17697884       1.38454497 
O       3.89358338       5.45570191       9.79469886      -0.08997096      -1.24759332      -1.42290279 
O       5.40287065       2.78973592       5.85407236      -0.14326849       3.05019652      -2.15162337 
O      10.63335040       5.19025194       9.39301991      -0.26977943       2.19741563      -0.07357561 
O       9.20905846      10.83060025       6.76517876       1.66180978       0.19261731      -1.86807281 
O       1.65149221       3.41050540       6.25590426       3.70985479       1.20565563       1.13777914 
O       7.08684576       1.66812145       1.57925416      -1.08718213       1.80126404      -1.32746043 
O       8.88321091       0.09967955       1.33207358       1.54563228      -1.85642883       0.31920397 
O       7.02022441       8.67399076       3.90310060      -1.18773579      -0.37114475      -1.32039473 
O       7.29186594       1.70198622       4.15100948       0.64794458      -0.20890021       0.12575079 
O       3.57224401       8.98524743       6.38273937       0.46922658       0.69809958       3.82414082 
O       9.05639821       7.29551275       8.74075804      -0.45148462       0.69898050       1.60476140 
O       7.40001601       1.41401730       9.45380632       0.09305011       2.67792875      -0.09630845 
O       7.11499260       9.26747804       9.05014124      -1.06116057      -0.44333288       0.06234304 
O       5.49379888       7.32739537       9.13753574       0.08523544       0.62389874      -1.28207420 
O       9.24913244       7.47243276       3.80802823       2.48080431       0.02797651      -1.62207700 
O       5.35228341       7.11650081       6.49183458      -0.79093173       0.58187644      -0.29052427 
O       7.48707797       8.92126242       1.03223459      -0.11456231      -1.68280616       0.84704526 
O       9.36652740       6.91009995       0.91719490      -0.64869331       1.66560870       0.29722085 
O       7.22279866       5.45065678       9.29609056      -0.03288831      -1.07095780       0.71007317 
O       3.57035267       9.05216722       9.31207870      -0.69202790       0.21735122      -1.41935944 
O       9.30503762      10.53762399       9.47036534      -0.97528513      -1.13858631      -1.33027993 
O       6.96430685       5.11043212       6.81674313       1.09997394      -0.29281945      -0.76863015 
O       5.32134892       0.17629168       6.13119633       0.35040901      -1.47450015      -0.13962678 
O      10.69345896       5.21884458       6.47642805       0.26537601       1.34919425       3.66292666 
O       0.39205761       8.92585484       4.44554056      -2.43700240       1.33974680       2.18965387 
O       1.77572131       7.23717950       3.53009593       0.62726800      -3.05080910      -0.24955587 
O       3.51385291       9.10942229       3.97651691       0.80435451       1.32937279      -1.24222132 
O       3.70261438       5.12536405       1.72922032      -3.81225598       0.36872558      -0.24963810 
O       5.43923680       7.13284891       0.91736752       0.36697688       0.78164646       2.06905434 
O       9.17253663      10.25386557       3.70195995      -0.22190228       2.05120660       2.97890659 
O       8.86688286       3.58013496       8.90055730      -1.25121397      -0.62006189       0.60031105 
O       7.32526903       5.49170727       1.48335305       0.25673678       0.68068663      -0.76108247 
O       9.07886316       3.53658069       1.04947090      -1.94357441      -1.61131152      -0.00559255 
O       8.68481824       3.77691940       3.81487310       0.79776817       0.49514239      -1.39980332 
O       7.52343338       5.91779981       4.07238549      -2.59701073      -1.40808105       0.98711152 
O       3.55080399       8.90673849       1.25742781       0.92726895       0.77129046       1.71390352 
O       8.99245900       3.17562114       6.46686791       0.76605123       2.34788428      -1.77615005 
O       7.28861759       1.61553188       6.87356959       2.17541023      -0.43127188      -0.16939248 
O       1.59360936       3.47156746       8.88039504       0.42753588       2.06880227       0.61362373 
O       7.03208888       9.52455642       6.28029569       0.71707836      -3.38505517       3.39358414 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.022209460716155274 0.0010728645629229743 -0.001983077020817804 0.0010728645629229743 0.0012487979502540498 0.0070007071532472084 -0.001983077020817804 0.0070007071532472084 -0.0011125191984826146" pbc="T T T" energy=-1063.00595613 free_energy=-1063.0059743 config_type=crystal 
Hf       1.88193162       1.51943319       2.47671080      -0.63597269       0.81299471       0.64500522 
Hf       3.75292105       7.47687695      10.46657092      -3.12290644      -2.39406985      -0.84600960 
Hf       5.51790285       5.36535380       2.27876183       0.83370886       0.94021375       2.20026377 
Hf       9.06586715       5.40520647       7.98745892      -0.44275103      -1.36302766      -0.96517423 
Hf      10.81022297       7.10863615       5.41010796       0.17895655       0.55414014      -3.94888688 
Hf       0.18907383       0.19288159      10.46110049       0.04753980      -4.71601898      -0.02429979 
Hf       7.29718781       3.73897176       5.32037805       0.43505713       0.72948581      -0.24671884 
Hf       7.06362803       7.40460285       5.44752927      -0.60612945      -3.13947577      -2.27122596 
Hf       1.66505366       5.25348713       2.52709577      -0.90462864      -0.40760140       2.45726675 
Hf       0.04670959       3.36422167       5.17102466      -1.31126237      -0.50860359      -0.64597939 
Hf      10.76068224       3.56867947       0.11835615       0.25393985      -0.07093961      -0.24624452 
Hf       1.58445048       5.40897753       7.47623389       5.24862104       0.10956071       5.52353310 
Hf       8.68320629       9.16307426       7.79352208       2.21574300      -1.01062363       0.28973328 
Hf       1.59825153       1.82998846       8.08328254       2.68564050       0.33780295      -0.80442024 
Hf       7.23410602       7.05230708      10.39697456       1.39857082       0.81355848       1.18772084 
Hf       9.09900160       8.88293778       2.27342097      -3.60527179      -1.29832937       1.90329838 
Hf       5.19121180       8.78363534       2.43911890       4.62907284       2.83010114       0.48345592 
Hf       5.27647731       9.37559974       8.05075164       0.50743333      -2.23937892      -1.20838877 
Hf      10.92061234      10.81275490       5.38784403      -1.00276585       0.13014124      -0.60972607 
Hf       3.47654905       3.43482038       5.18628907       1.89774580       0.52667080      -0.67990312 
Hf      10.94766489       7.30903761      10.28074900       0.90106411      -1.77316512       1.43403794 
Hf       1.71769647       9.04293011       7.58891935       0.45712945      -0.08754174       5.17108428 
Hf       7.12337602       3.31016334      10.35673572       0.23376456      -0.84201518      -0.74212907 
Hf       9.21908057       5.49086804       2.78265456      -2.90524339       0.73611820      -1.56865697 
Hf       3.46842517       7.55188282       5.13344051       1.87173818      -3.73049293      -0.39445883 
Hf       3.63537489      10.85394563       0.04589485       1.33949144       0.08804668      -1.64331074 
Hf       7.23445255      10.67680683       4.66552589      -0.99940177      -0.97989716       1.11372769 
Hf       5.40288950       1.82096203       2.80290503       1.08489836       0.43140487      -1.25970750 
Hf       5.61546318       1.70804303       7.55133542       0.70536431       4.12355691      -2.74174770 
Hf       1.45308420       9.03882950       2.97146237      -0.45004149      -0.51436583      -1.79646328 
Hf       3.57118226      10.88072527       5.38944519      -0.84263146       1.57942161      -0.85746153 
Hf       3.48280492       3.51420624       0.10532117       0.50774739       1.76223103      -0.81166358 
Hf       7.56922650      10.79679365      10.51164181      -1.20724296      -0.41809219      -0.17743785 
Hf       8.90950006       1.87962560       2.56484775       0.82729571       0.31992400      -0.96972753 
Hf       5.36796177       5.44142361       8.01505446      -1.00565489      -0.90647374       0.63059666 
Hf       9.17149866       1.68870722       7.91889411      -2.35742878       0.13157295      -2.61404654 
O      10.84477776       9.16958925       1.71870856       2.35005013       1.09853160      -1.82130890 
O       5.11608541       7.32469066       3.55303767      -3.98806026      -3.74707527       2.50869077 
O      10.65253019       5.23243200       4.11854671       2.38304309      -0.62767553       3.09985822 
O      10.42827216       1.52562278       4.45942554      -0.80902726       2.42235438      -1.51994283 
O       1.51429132      10.93962056       3.81641887      -0.09645505       0.89896813      -0.74391812 
O       1.91874312      10.72643192       1.15770430      -2.52728400       1.52742960      -0.81526159 
O       1.85859052       3.33971365       1.17818458      -2.67094861       0.89036740      -1.86525654 
O      10.51535067       1.72774312       9.40102387       2.14711317       0.25945895       2.04295500 
O       1.62638993      10.85328421       8.85256205      -1.82148478       1.22614238       1.47350766 
O       1.83958701      10.71163420       6.35752207      -0.45994543      -0.99610211      -0.31571333 
O       0.08934903       1.43221488       6.82022922       0.09022518       2.26937765       1.66611138 
O       1.48412507       3.12209637       3.64342903       0.36264333       1.32014107       1.03556549 
O       1.74051694       7.16579273       0.89061773      -0.07505066       0.10384725      -1.03730762 
O       1.69794423       7.06865902       8.69358378      -0.01708294       0.04248639      -0.48660945 
O      10.95363274       1.85489221       1.65489098      -1.03228967      -1.79116278      -1.82960310 
O       3.51619070       4.80221256       7.43305634       1.46795518       0.39386668      -1.67166154 
O       3.41775236       1.60409272       6.89570055       1.57635425      -0.31266153      -0.36356397 
O       5.67341779       3.35381051       8.79043533      -1.46848183      -0.53371259      -0.61861458 
O      10.76461468       4.66367010       1.79035269       0.06920687       1.06002381      -1.69627512 
O       1.79905310       6.92567391       6.08285670       1.36963045       0.63546647       0.26159916 
O       0.05612693       8.71843585       6.81315690      -2.66199632      -0.04861732       0.02286146 
O       3.63759304       1.49533525       3.87367251       0.00955218       0.79264312       2.43542686 
O       5.50933164      10.70329876       3.35183113       0.63447768       1.48869131      -0.22736179 
O       5.67102248       0.01755535       0.29345404      -1.14975099      -0.63942695       1.51065968 
O       3.52212316       1.85238778       1.38630104       4.62233278      -1.36028656       2.44677206 
O       3.24097949       1.56870199       9.80713394      -1.38703631       3.56609172      -2.85766693 
O       5.23759863       0.23474074       8.58155412      -1.20494480      -1.77143374       1.72411446 
O       0.06494563       8.96768518       9.42828832       0.71918056       2.54474589       0.35709051 
O       3.12231735       5.15655173       4.34154015       0.25365549       0.60592446       0.44767824 
O       5.55541510       3.75297090       3.72643365      -0.35904458      -1.86265030      -2.88606694 
O       5.49810689       3.96524197       0.88951752      -1.93443699      -0.64119864      -0.52251661 
O       9.11411212       7.07686408       6.31327429      -4.32255915       1.23676768       0.54974282 
O       3.69633309       5.49919142       9.79054026       1.28094437       0.25771283       0.45486644 
O       5.37109321       3.39538283       5.95165445      -0.12231284      -0.94300646       2.01159862 
O      10.52073510       5.44647981       9.40941600       0.12373048      -0.73734599       1.65621627 
O       9.28190731      10.78846698       6.60609930      -2.19452377      -0.97096370       0.70386025 
O       1.87582562       3.33930280       6.26482401      -4.29681616       0.95808043       1.31427194 
O       6.91884536       2.10071264       1.46493098      -0.74901722      -2.05013326       0.80209291 
O       8.77178807      10.86774898       1.53712612       0.25492588       1.43308098      -1.38305357 
O       6.90816534       8.65915874       3.76656759       2.46695735       1.48431517       2.45968548 
O       7.53458648       1.53553051       3.91294295      -3.19527720       0.09061994       0.64202306 
O       3.62487028       8.93579446       6.84722008      -0.25216890       0.16291556      -2.85682692 
O       8.89472950       7.28738691       8.98697373      -1.31816810       0.43896123      -0.82539504 
O       7.54520306       1.52247085       9.18078376      -1.49313782      -1.80187524       1.60607883 
O       7.06991973       9.29335239       9.09242000       0.46020792       0.28489830       0.98556872 
O       5.52064996       7.36378156       9.01036008      -0.71492281      -0.38347960       0.12470016 
O       9.53028783       7.27630436       3.51077401      -0.36406131       1.24746609       1.52437300 
O       5.19853128       7.12028512       6.32806146       0.15952187      -0.95380527      -0.74734813 
O       7.42870495       8.60424552       1.09394646      -0.56264898       2.74722817      -0.04895654 
O       9.31580605       7.10960378       0.96612391       1.70504321      -0.04443246      -0.55536007 
O       6.99839995       5.17993972       9.62776712       0.11119841       2.52688699      -1.19287828 
O       3.46544821       9.20021598       9.25385633       1.37365503      -0.38909429       1.67532249 
O       9.19953507      10.53760811       9.13241565       0.60987855       1.73463627       1.58163558 
O       7.17271549       5.31989210       6.87109643      -0.43119534       0.04687315       0.14968802 
O       5.44464336      10.86645354       6.01441019      -0.02470047       0.62362935       0.50444103 
O      10.84119361       5.50432343       6.81792379      -2.95100670      -0.14020811      -1.51253868 
O       0.19965568       9.02373630       4.52389308       0.62921967      -1.78407269      -1.30607960 
O       1.56971148       7.00521425       3.49023240       0.48599796       2.43976184       0.81978263 
O       3.17220736       9.22760686       4.11327961       2.15556269      -0.61265564       0.78270608 
O       3.28676078       5.13626877       1.65792375       4.94692538       0.15879397      -0.58031343 
O       5.34554327       7.31657643       1.05061702      -0.75038626      -1.76161391      -1.34138945 
O       9.01445996      10.36299270       4.03931198       0.80992609      -1.19789510      -0.72595020 
O       8.65417836       3.48582878       8.87356315       1.96110192       1.84602316      -0.82398215 
O       7.35953436       5.84778286       1.43185310      -1.04221124      -1.64481038       1.53305536 
O       8.80680026       3.08699280       0.87590071       2.99179250       1.18625563      -0.57225571 
O       8.74773022       3.70782845       3.71338985      -0.34227215      -1.06578345      -0.80343791 
O       6.99538529       5.72803246       4.14741826       1.32708205      -0.05146048       0.76873737 
O       3.72952221       9.29068548       1.35529571      -1.77778224      -1.50721522      -0.81527990 
O       9.31477290       3.77463672       6.32361907      -0.78994217      -0.99338784       0.18459932 
O       7.46483390       1.88317173       6.48456859      -0.72275409      -0.03500085       1.09617527 
O       1.16576420       3.61396183       9.16597055       1.99855656      -0.90811354      -1.60087234 
O       6.95355178       9.08026049       6.68061667       1.31174230      -0.31024646      -0.99355551 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01806747152854223 0.003665302647511957 0.019716704157264908 0.003665302647511957 -0.0014801651011583654 -0.004850061322277909 0.019716704157264908 -0.004850061322277909 -0.003963304124878166" pbc="T T T" energy=-1062.03580994 free_energy=-1062.03581183 config_type=crystal 
Hf       1.89022564       1.66535418       2.46462276      -1.04433530      -0.00295892       1.17395104 
Hf       3.45747542       7.30056971       0.03656727      -0.85736070      -2.04195902      -1.39336268 
Hf       5.37333350       5.20147078       2.38183592      -0.40368845       0.48487345       1.02969916 
Hf       9.78395911       5.48915288       8.07545811      -4.50027465      -0.91286187      -0.84139214 
Hf      10.66931588       7.38660718       4.99067061       0.85015898      -1.37302642       2.57586859 
Hf      10.52079339      10.50305431      10.58624889       3.12746513       2.23207705      -0.69998797 
Hf       7.45109069       3.55621034       5.48595523      -2.09568336      -0.14165704      -1.93308870 
Hf       7.31803369       6.88001774       5.08013193      -1.99022992       0.20215214      -1.55334387 
Hf       1.54799942       5.49723830       2.84902894       1.91777691       0.60277130      -2.33783161 
Hf      10.74253461       3.49612271       4.76302922       1.03085493       0.65094379       2.51977641 
Hf      10.89247985       3.04535364      10.54762129       0.99996595       4.18390250       1.76863872 
Hf       1.90568850       5.68123994       7.71842585       2.23517828       1.01545882      -0.04474163 
Hf       8.79863607       8.94316664       7.84315122      -0.02362420       1.40398622      -1.54661293 
Hf       1.74563986       1.75898032       7.89184617       3.36135060      -0.01943073       0.06355983 
Hf       7.13550651       7.17465810      10.33539375       1.86386494      -1.94931749       4.19378144 
Hf       9.02149864       9.21033155       2.61739912      -0.84332211      -0.19247653       1.45638674 
Hf       5.74812456       8.88975723       2.53013045      -3.67071560       0.33211749       0.36855726 
Hf       5.40603957       8.87535316       8.24220320      -1.25185990       5.16743171      -2.76158793 
Hf      10.45712950      10.76077909       5.44216790       3.97661321       2.06630198      -2.36670669 
Hf       3.44322254       3.63332185       5.25826706       2.15163849      -0.55895356      -1.27192186 
Hf      10.82275105       7.30461292       0.07757671       0.37349422      -1.87210551      -0.29540121 
Hf       1.76080855       9.26452595       7.69126589      -3.80529252      -2.46005472       1.15144753 
Hf       7.20935247       3.65139114      10.59242019      -1.04973423       1.13121094      -0.04474556 
Hf       9.18036831       5.37637521       2.41470887      -1.08492368      -2.14583765       0.84163348 
Hf       3.74484253       7.50195524       5.07567668       0.27896007      -4.82382137       3.52128550 
Hf       3.28658515      10.64482824       0.13634456       5.47726024      -0.53318696      -1.58757176 
Hf       6.67159408      10.93501323       5.30488299       6.82973005      -1.79138194      -3.59732061 
Hf       5.28128995       1.63707477       2.57168538       0.63277945       0.21800248       0.75993319 
Hf       5.38773308       1.78355474       7.75983197      -3.47634695       0.36596076       1.60447559 
Hf       1.80420603       9.32688728       2.61567435       0.30462727      -1.26682974      -1.01461988 
Hf       3.42764069      10.87556488       5.27692393      -2.37545338       0.73848777      -1.62121562 
Hf       3.61526044       3.62797258      10.22129346      -0.77238380      -0.28975506       0.26304297 
Hf       7.11180309      10.93645450      10.43463959      -2.63325481       1.20863049      -0.94726051 
Hf       9.10013807       1.66694324       2.39705208      -1.96735284       0.79580114       2.43498944 
Hf       5.75592984       5.63668747       7.77103940      -0.54321479      -2.82084036      -2.09784175 
Hf       9.22237975       1.80181061       7.97936355      -1.35359137       0.18468733       0.07631754 
O      10.67851596       9.13445829       1.38259524      -1.35221768      -1.73573389       2.46025876 
O       5.37044659       7.10910803       3.67441416      -0.64148105      -0.17017507      -1.24810146 
O      10.55210542       5.60332338       4.02895625       3.53847277      -3.16638067      -1.68726472 
O      10.79200544       1.69839485       4.09448340      -0.42106493      -0.03105536       0.75380597 
O       1.68570440       0.00549575       3.63774889       0.50619515       0.19562115       0.28072330 
O       1.64211388      10.73792849       1.05448948      -4.26391696      -0.90128315       0.09840227 
O       1.84595354       2.96858408       0.67480556       0.28852198      -0.07706430      -0.54145760 
O      10.64512887       1.44082948       9.54220675       1.77403659      -0.82588207      -0.02634429 
O       2.28546696      10.53608632       9.12739600      -3.24496943       2.26800911      -2.84675549 
O       1.65389377      10.71547395       6.10851287       2.08690446      -0.32886427       0.77843067 
O       0.16278578       1.16348469       7.02753713      -4.16745021       1.23574324       0.38326737 
O       1.77807444       3.41354679       3.46337164      -0.77844954       2.65304373      -0.66780714 
O       1.73331019       7.49818747       0.91220108      -2.05740622      -0.14541235      -0.37481642 
O       2.11794534       7.38198561       8.67261521      -0.25047570       0.19006035       1.89091204 
O      10.93656942       1.55268761       1.69823987      -2.10618636       0.78198505      -2.68707284 
O       3.84945130       5.47823753       6.94392527      -1.60298256      -0.77173222      -0.68461999 
O       3.47972738       2.01409856       6.79820721      -0.49854512      -0.68214125       0.54504338 
O       5.50873662       3.92863721       8.90643099       0.26248304      -1.80785276       0.02539746 
O      10.89719882       5.13456380       1.28026826       2.43507232       0.46233623       2.17094833 
O       1.83917912       7.38416147       6.34195601      -0.25199876      -0.25911554      -2.69312695 
O      10.82627351       9.25257219       6.77519787      -2.10180825      -1.43817177       1.36562729 
O       3.59491000       1.61124940       4.24439386       0.18125779       0.57866555      -0.77909090 
O       5.51476779      10.61981492       3.52136836      -0.13995026       2.40175265       1.27268231 
O       5.54832010      10.44025737       0.97942664      -0.28771518       0.61667607      -0.95879200 
O       3.46516401       0.96576757       1.56301698       4.05538579       3.99165457       2.86222045 
O       3.86382951       1.56345122       9.40130830      -0.18146196       1.67824121       0.26178530 
O       6.03073831      10.90931868       8.64678397      -1.08885163       1.61419129       1.06015401 
O       0.09725422       8.93199207       9.54130371      -0.00536423      -0.13255585      -0.62339067 
O       2.99522041       5.66776208       4.32186460       0.14476931       0.14277335      -0.02897206 
O       4.92784106       3.56489889       3.39924231      -1.28729689      -0.74606930      -0.76956996 
O       5.16457733       3.44730299       0.85268102       1.37819908       0.19025577       0.23670543 
O       8.92511433       7.40040637       6.18976722       1.08025398       2.01100252       1.64828441 
O       3.45494776       5.41055574       9.41904864      -0.65297701       0.73210913       0.63333711 
O       5.40121027       3.48676946       6.00809338      -0.06596891       0.07224753       1.20243267 
O       0.14542742       5.53266529       9.43905316       1.34844607       1.04118101      -0.18471994 
O       8.75415132      10.71883700       6.14857124      -2.58308966       1.24061050       2.32594171 
O       1.58968240       3.48436747       5.88890445      -0.77864882       0.09414627       1.98106718 
O       6.97870292       1.55142580       1.38226287       0.82539997       1.29962611       1.52993271 
O       8.75061253      10.81376176       0.82733649       2.67947864       0.08117755       5.72028118 
O       7.16090043       8.95917412       4.38731777       0.28451927       0.70031689      -1.63372249 
O       6.94570279       1.89139881       4.24764739      -0.47593463      -1.72051975       0.24568611 
O       3.52327737       9.08892932       7.20405698       5.65469166      -0.03912119      -2.82609758 
O       9.18291744       7.27025479       9.01041896       0.50026726       1.03770037      -0.57850390 
O       7.69718119       2.00556285       9.71251139      -0.01073588      -1.99041364      -1.25057339 
O       7.24544745       8.92734990       9.56093962       0.40800128       0.98495747      -1.13501988 
O       5.65098921       7.18333745       9.01403250      -0.62512649      -3.21246491      -0.46927265 
O       8.85953018       6.97009654       3.73165653      -0.15546770       3.12444977      -1.37746007 
O       5.59969815       7.15278280       6.21327634      -1.58177411       1.25280847       0.99279219 
O       7.29520598       8.77270169       1.45538082       3.41421729      -0.97792060       0.40491400 
O       9.03310773       6.74617847       1.11026336       0.62210997       4.05663593      -3.02950850 
O       7.66670707       5.50873191       9.27558318      -1.50547791      -1.70446019       0.72774186 
O       4.03998391       9.02455033       9.78823207       0.93777430      -0.87537564      -0.19363927 
O       9.08099487      10.69080531       9.29735116      -1.93984677      -1.02838558      -5.69060285 
O       7.48007293       5.50467490       6.53198361      -0.31190943      -2.36284150       2.20223578 
O       5.14210975       0.05836710       6.25171601      -2.89432593       1.54953400       2.54612314 
O      10.87264105       5.60027192       6.39753887       0.85459331       0.12120357       2.91339555 
O      10.69955751       9.18348058       4.22393091      -1.70342623       0.39951153      -1.65819811 
O       1.15540617       7.59264331       3.30468439       0.36706819      -3.52122257       1.28212057 
O       3.46947498       9.11254563       4.16317044      -0.72421306       1.43818849       0.49458348 
O       3.32990671       5.40778245       1.45677917      -0.36022163      -0.09020568       1.27678746 
O       5.25280172       7.08517158       0.79944227       2.91052899      -0.40365183       1.49403165 
O       9.15226836       0.06268749       3.64527624      -1.54782844      -1.34714144      -2.37101984 
O       9.46737081       3.52256030       9.00067950       0.96146398       1.25882941      -0.97025841 
O       7.20704349       5.17613744       1.50215097      -2.13798057       0.43257769      -0.53036881 
O       8.96775913       3.73916327       1.14385886       1.00749448      -4.36121382      -1.41951111 
O       8.91930009       3.57948319       3.88597175       0.60106634      -0.67579947      -2.56478419 
O       6.87475787       4.97538046       4.09823437       0.13946845       2.05254195       0.03808903 
O       3.61641104       9.06088426       1.75805286      -0.33295242      -0.47453371      -0.78768002 
O       9.32577119       3.32000906       6.30124906       0.90916751      -1.18699751       1.73316134 
O       7.13908145       2.07127146       7.10599892       3.78183676      -0.72975364      -0.80599402 
O       1.61441908       3.52052599       8.73331519      -0.18966995      -0.21050446       0.14830371 
O       6.90993550       9.42705185       6.98891709       1.67593171      -1.71516977       0.31634812 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009193213400308781 0.0016601631714435263 0.01734759988328997 0.0016601631714435263 -0.01410030151277564 0.00586877540711147 0.01734759988328997 0.00586877540711147 -0.005541694139542895" pbc="T T T" energy=-1063.19326232 free_energy=-1063.19326663 config_type=crystal 
Hf       1.90927177       1.67113796       2.47724820       0.00304067       2.19763042       0.45673149 
Hf       3.45997415       7.26592147       0.04808613      -0.57943760      -0.99807501      -2.41252380 
Hf       5.39906925       5.17897219       2.37795411      -2.03289258      -0.16679611       1.15117588 
Hf       9.77522488       5.47928273       8.05671557      -3.43591424       0.41207173      -2.31180248 
Hf      10.63918097       7.39611052       5.02979968       1.58076333      -3.61439118       2.09862631 
Hf      10.52542657      10.53196106      10.54877996       1.96320033       2.89203443      -1.98132810 
Hf       7.42788818       3.61323336       5.46542075      -1.77287273      -1.64556998      -0.46431961 
Hf       7.31337607       6.86193376       5.07433934      -1.79790774       1.70889551       0.20201992 
Hf       1.51257988       5.44912897       2.84751112       3.25818328       2.71861170      -1.72325167 
Hf      10.71289359       3.50621910       4.76692432       2.87886071       3.80686767       4.18264078 
Hf      10.93776199       3.00551336      10.54853656      -0.14285031       3.77116681       0.27147708 
Hf       1.91736398       5.71187214       7.73597742       2.35402196       0.54035598      -1.02981100 
Hf       8.83073321       8.96008730       7.82349458      -0.23173112       1.87799228      -0.90062383 
Hf       1.71304510       1.75361780       7.88748573       3.09000842      -0.29227789      -0.00951154 
Hf       7.17868914       7.17869517      10.32865837       1.09535773      -2.18970302       3.08002459 
Hf       8.99115589       9.20125669       2.64682922       0.75197677       0.32241631       1.00387028 
Hf       5.68820510       8.84097827       2.56834245      -1.32371401       2.68155484      -1.53742309 
Hf       5.40825279       8.85918725       8.23324742       1.10102355       9.09768176      -5.30573228 
Hf      10.42991731      10.76258902       5.48336781       1.13386834       1.02878166      -1.64961507 
Hf       3.47805571       3.60306433       5.28440069      -1.03768640       0.66392590      -1.26535991 
Hf      10.79898726       7.27902408       0.09745507       1.38993924       0.20979164      -2.49699937 
Hf       1.75780628       9.27097377       7.62833530      -0.57333601      -4.51124554       4.04780109 
Hf       7.18533264       3.65574385      10.60016926      -0.21566818      -1.49670050      -1.20279554 
Hf       9.17802132       5.35276174       2.39547973      -0.20723780      -0.69457541      -0.53590937 
Hf       3.72336779       7.51567806       5.08101648      -0.03833380      -6.06102477       4.26640480 
Hf       3.26051951      10.64848316       0.15666264       7.69188916      -0.27826924      -1.75586063 
Hf       6.70173173      10.91542665       5.31246136       4.24730395      -2.10065056      -1.97241220 
Hf       5.30318015       1.61390228       2.59551847       0.80424796       0.43857897       0.16767587 
Hf       5.38137323       1.81628108       7.72071800      -3.68654048      -0.19462572       2.33720134 
Hf       1.79638082       9.33257892       2.63145777      -0.13752179      -3.47925319      -0.41608081 
Hf       3.36310306      10.86263461       5.26596225      -0.16962738       1.44107691      -2.07233697 
Hf       3.60088387       3.58946662      10.27097606      -1.17980449       0.59674580      -1.86925604 
Hf       7.13589304      10.92346068      10.42996475      -2.81638913       1.25396553      -0.88831924 
Hf       9.14365465       1.67848495       2.40002873      -2.40094361       1.49317346       0.73150114 
Hf       5.79616980       5.63214862       7.79840865      -1.97610583      -2.09364196      -3.26849061 
Hf       9.23342395       1.85284914       7.94640940      -1.92281309      -1.20851919       0.62308413 
O      10.61684081       9.27596664       1.33332759      -0.37587508      -4.05920160       4.43904576 
O       5.32590399       7.23752232       3.70237066       0.36127457      -1.64676901      -2.14230668 
O      10.72061735       5.54859871       3.92471722      -0.53526442      -1.75873699      -0.42968522 
O      10.81410117       1.84190453       4.04685570       0.46330743      -3.11270708      -1.33382944 
O       1.66690982       0.09723866       3.54513235      -0.09327707      -1.65200380       2.27820217 
O       1.68524403      10.72891882       1.12989406      -3.94765506       0.19142971       0.63403654 
O       1.84287041       2.78602994       0.59329494       1.36611444       1.21386459      -0.14627151 
O      10.78836422       1.41376454       9.53857057       0.84519008       0.09410365      -1.61770408 
O       2.17825077      10.57862080       9.21895686      -2.48081402       1.57565506      -3.92304240 
O       1.68763737      10.59585294       6.23260028       1.64710009       1.07975768      -1.90698792 
O       0.20893432       1.13895026       6.88419019      -4.64198514       1.33473150       0.38163272 
O       1.92460349       3.67280672       3.49159238      -1.39324891      -2.76175539      -0.75839722 
O       1.68061841       7.56649473       0.81450070      -0.62589752       0.06868973       0.40128374 
O       2.02838584       7.38141371       8.72163010       0.06648252       1.00605566       0.47671864 
O      10.87690940       1.65275117       1.46879972      -0.58106456      -0.22898556       0.13397534 
O       3.88675363       5.48833874       6.98657520      -1.60536787      -0.40782410      -1.07643605 
O       3.38255785       2.08532385       6.82538758       0.69579965      -1.36002325      -0.21905103 
O       5.59069090       3.95678745       8.77351832      -0.08884187      -2.63929666       1.80413398 
O       0.00375254       5.22793127       1.33643115       0.50111618      -0.33759234       0.23245767 
O       1.92828657       7.36983924       6.17568677      -0.98513568       0.99680200      -0.34016052 
O      10.72166069       9.27709807       6.81065738      -0.63680326      -1.26899835       0.67317809 
O       3.50557138       1.61167745       4.16822262      -0.20193723      -0.06972794       0.43658740 
O       5.39255744      10.71738632       3.49179093       0.99998189      -0.48031190       1.89210522 
O       5.44942401      10.48634827       0.99799274       1.77977043       0.37176104      -1.27327213 
O       3.61540024       1.15060372       1.55760215       0.56452094       1.79517645       0.86048420 
O       3.95739627       1.64244595       9.32902154      -0.94873736       1.90396919       1.10642770 
O       5.93389570       0.01751755       8.70681348      -0.14037900       0.82587946       0.44881774 
O       0.15299145       9.01786476       9.50899368      -0.36469114      -1.52517189      -0.18237185 
O       3.01241465       5.72968090       4.29418094       1.09333410       0.07640705       0.55662633 
O       4.75769855       3.53497531       3.46774749       0.79061772       0.70634598      -2.03779263 
O       5.14955785       3.47330673       0.81357905       2.25981024       1.06369830       0.94551650 
O       9.00316038       7.33518695       6.36048767      -0.01715777       0.95658775      -1.02806252 
O       3.43765404       5.48207793       9.32576853      -0.33560338      -1.33890032       2.93648129 
O       5.30033652       3.58129761       6.05327013       2.81066603      -0.78689316       0.73236226 
O       0.24165573       5.62032063       9.28229071       0.38644549       0.32372175       1.02304012 
O       8.62670389      10.69670807       6.25948910       1.63886114       2.53732243      -0.47327825 
O       1.51892154       3.48778848       6.02726926      -0.10016746      -0.17108715       0.02669441 
O       6.98950356       1.69116542       1.31518856       0.10010146       0.63450400       2.26224250 
O       8.75608954      10.80033058       0.94793822       1.64597928       0.79350459       2.77851971 
O       7.23294249       8.90447224       4.47624243      -0.44444220       2.29048631      -2.04566533 
O       6.90484228       1.86128372       4.28136545      -0.08983394      -0.92746514       0.87971333 
O       3.69779385       8.99725652       7.28267746      -0.73864794       0.86039455      -4.02188709 
O       9.18687804       7.34010915       8.90887215       0.84887352      -1.24315698       1.17659468 
O       7.63583208       1.86847524       9.66998848       0.64201730       0.65051407      -0.38197461 
O       7.28793613       8.89973475       9.60392202       0.19797854       2.15058867      -0.78941255 
O       5.55331023       7.22548386       8.85352940       1.91300924      -7.42897433       3.66456527 
O       8.86127810       7.12283491       3.70412338       0.97058847       0.50567503      -1.28104313 
O       5.58235163       7.23806617       6.13901800      -0.33798126       0.37107029       0.69350748 
O       7.45094432       8.75458528       1.56356810      -1.35341891      -0.89118420       0.60409708 
O       9.08576993       6.86688127       1.02868365      -0.16670996       1.16619554      -0.56856960 
O       7.69221001       5.49500108       9.32536909      -1.22287241      -1.22788999       0.39354077 
O       4.11014778       9.03386446       9.58864581      -2.39001194      -0.23517560       5.20417613 
O       9.16074261      10.69076291       9.13463828      -2.12676916      -0.25764234      -2.79494190 
O       7.44196807       5.52805961       6.54094162       0.38197837      -2.98790584       1.48085349 
O       5.08857785       0.17825938       6.22605750      -1.05103165       0.99246779       1.18310601 
O       0.04781045       5.63850398       6.32831188      -0.55881968       0.09567044       3.59739537 
O      10.82993983       9.11621907       4.25028711      -1.34410895       3.09034536      -1.45310599 
O       1.26061116       7.47191783       3.30723897       0.03417515      -0.48838339       0.40780863 
O       3.38471246       9.09667554       4.15605539      -0.86811830       3.20436767      -0.33969162 
O       3.37344980       5.42155480       1.51942735       0.25962008       0.20016668      -0.13905136 
O       5.34904207       7.02660343       0.71666745       1.67087771      -0.05604517       1.76301286 
O       9.20230595       0.14763418       3.61907150      -1.14138588      -2.80180594      -0.15003332 
O       9.41549152       3.54469471       8.89987513       1.34882809       1.15248411       0.69344025 
O       7.27883257       5.25928099       1.45274780      -2.33333645      -0.23755256       0.16327518 
O       8.92054874       3.55115973       1.12197396       1.90834172      -1.08215890      -0.82865425 
O       8.94381392       3.51819806       3.74457980      -0.49510208       0.36768549      -1.21077660 
O       6.85722926       4.99021335       4.12152527       0.12833609       1.81355342      -0.90357801 
O       3.67685277       9.06507854       1.69785286      -1.41231406      -1.03468903      -0.22148847 
O       9.41123698       3.34291685       6.34133729      -1.01826884      -0.70158583       0.13863730 
O       7.18266245       2.13318886       7.26298883       3.78455806       0.24951455      -2.61058571 
O       1.57951074       3.45333580       8.67571898      -0.37203809       1.55223143       1.76718075 
O       7.03205338       9.39759150       7.06014404      -0.40836956      -1.22196862      -0.12430765 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010270091153735554 -0.003013204160718209 0.028141948424816262 -0.003013204160718209 -0.0076815276482156995 -0.006230191790600369 0.028141948424816262 -0.006230191790600369 -0.004761923667435905" pbc="T T T" energy=-1061.34114894 free_energy=-1061.34115297 config_type=crystal 
Hf       1.96674717       1.73093143       2.53115456      -1.70734213      -1.11344019       0.89312497 
Hf       3.45464548       7.14040099       0.04237304       1.04355431      -0.12222423       1.06868854 
Hf       5.41888438       5.11325526       2.37866242      -0.77448360       3.77322802      -0.22603729 
Hf       9.69683744       5.47010029       7.96440547      -0.58736279       0.40525399       0.28698296 
Hf      10.60165239       7.37309153       5.17280948       4.18237937       0.55014256      -1.72275287 
Hf      10.56999919      10.64959793      10.41114674       1.15792012       1.13814999       1.45308627 
Hf       7.32626876       3.72330128       5.40644648       1.86896719      -5.02988951      -1.83838340 
Hf       7.26586384       6.86460374       5.07329568       0.53817327       3.53058919      -0.39983045 
Hf       1.51465528       5.38858556       2.79052756       4.18540596       1.93578760       0.17247334 
Hf      10.69509798       3.57985722       4.86228643       3.83481801      -5.28268073       1.56560522 
Hf       0.10958180       2.98367838      10.51290453      -0.73668561       1.64267388      -1.97787451 
Hf       1.99210976       5.81016521       7.77303489      -1.48365606      -0.59240902       1.86481491 
Hf       8.91867735       9.03367142       7.77655299      -0.63983230      -0.66503261       2.45042736 
Hf       1.64965303       1.74099386       7.86838191      -0.15975241       2.54137577      -2.00456015 
Hf       7.33929819       7.15280263      10.37142914      -1.29119032      -0.72512247       3.24054783 
Hf       8.93952048       9.20035359       2.76674050      -0.17664712      -0.46603523      -0.85163523 
Hf       5.50055260       8.77667137       2.62801026      -1.88531321       1.64615775      -1.19871049 
Hf       5.44490181       8.93756034       8.14316176      -3.34496682       1.47413033       1.58928077 
Hf      10.35781390      10.78156668       5.55398019       2.66259427       1.05265668      -3.80349706 
Hf       3.54809698       3.53306470       5.33172674      -1.80627490       0.87354365      -2.32141043 
Hf      10.77507207       7.21727935       0.07877503       1.35411993       1.27278405      -1.64264878 
Hf       1.73548047       9.17465048       7.55646859      -0.05300049      -0.66068054       1.31685317 
Hf       7.11812580       3.62707649      10.59379218       2.40400606      -1.63798219      -1.05170443 
Hf       9.16564903       5.27511909       2.31303313      -1.76091182       1.10009343      -1.31515716 
Hf       3.66292069       7.45729003       5.15937400      -0.00385475      -0.40528095      -0.37324277 
Hf       3.30692299      10.65766209       0.17964179       1.56247866       0.64602274      -0.25082409 
Hf       6.85051049      10.82466429       5.30786995      -0.99779981       1.38356742       0.06641905 
Hf       5.40574310       1.56534847       2.67923035      -0.39056719       0.40311149       0.67654507 
Hf       5.31941584       1.92059129       7.65753943       0.80346480      -0.30627227       2.15177456 
Hf       1.74734615       9.26498511       2.67533397      -2.75407704      -1.89819210      -1.21272544 
Hf       3.20846153      10.87615322       5.17141538       3.03587079       1.96505291      -0.82676216 
Hf       3.54691604       3.49554368      10.38688520       0.69452157       3.26235358       2.64049779 
Hf       7.15915449      10.91631934      10.40805051      -1.10348246       2.33425637       0.28087398 
Hf       9.22469640       1.72595598       2.41954793      -1.25123828       0.24462405       0.60711345 
Hf       5.86778994       5.52254249       7.80101892      -1.53993777      -3.11221620       1.04468977 
Hf       9.22935094       1.96768916       7.86586964      -2.77502493      -0.07872026       1.17530649 
O      10.58607734       8.98981038       1.67153854       0.52222856       0.10416131      -1.45506965 
O       5.27295002       7.07636766       3.51937850      -0.04867693       0.95036615       1.25091554 
O      10.57429975       5.17633092       3.91050752       1.93230856       4.35927765      -0.90259901 
O      10.95587357       1.85529791       3.65035712      -1.46803247       1.73250237       1.26914161 
O       1.60625072       0.01184902       3.74007906       0.66320620       0.85998545      -1.53874700 
O       1.45339272      10.82971895       1.16541320       2.51967080      -1.14710968      -1.18246495 
O       2.02262824       2.54844941       0.48185200      -4.21441054       1.25815123       1.71584820 
O       0.20319348       1.40855354       9.23869704      -4.14151923       1.12109259       2.52394932 
O       1.77568274       0.00966516       8.87317232       3.38357259      -3.05174857       0.41826059 
O       1.66834528      10.72241611       6.24824713      -1.66211588       0.92978574       1.36574423 
O      10.70871322       1.41882786       6.70667537       2.76133855       0.04082256       0.06094797 
O       2.07473421       3.46928040       3.56130895      -2.19403010       3.56301087      -0.91670372 
O       1.68158648       7.76148721       0.72659004      -0.82653236      -1.53520338       0.10982545 
O       1.99696951       7.61198634       8.74211569       2.10935227      -1.46891177      -1.05342518 
O      10.73752849       1.50946049       1.23091834       1.90594483       0.16390954      -1.08293307 
O       3.74938073       5.45364131       6.89055590       1.20531242      -0.03469390       0.45948931 
O       3.38571066       2.06236993       6.80783315       0.36985742       1.14398592      -0.02814149 
O       5.80629172       3.62149791       8.79190458       0.00801533       2.57941820      -0.07207597 
O       0.02944754       5.38040373       1.30095984       0.52143426      -0.55775041       0.36160916 
O       1.73391168       7.62660778       5.92093983       0.01271343       0.07639665       1.62318221 
O      10.69788957       9.16549346       6.79537416      -0.68907341      -0.61583828       0.07767006 
O       3.25503856       1.65051242       4.15425494       2.36642793       0.18584356       0.91922467 
O       5.29004971      10.67304837       3.76624308       0.38684664       0.09560525      -1.40201724 
O       5.50037117      10.72351105       0.83234094      -0.84651430       0.47406618       1.41836384 
O       3.75110104       1.77323145       1.44274273       2.10307766      -2.45528951       1.45413196 
O       3.97100954       2.12414249       9.31240129       0.07761899      -4.11062718      -2.87487976 
O       5.63112292       0.15599383       8.86592993       0.33300344      -1.80074330      -1.04697736 
O       0.10040298       9.02965506       9.50472762      -1.11702557      -0.27615816       0.14241513 
O       3.33840298       5.75494226       4.35688960      -1.44636301      -3.04223698       0.22999965 
O       4.64927063       3.59805667       3.32620652       1.41140944      -2.04326319       1.91896090 
O       5.43111763       3.85833387       0.84627046      -2.66391944      -0.77257456      -1.44917062 
O       9.07353734       7.17670742       6.34661321      -2.45243040       0.73808151      -0.02768474 
O       3.30640839       5.37164605       9.68693908      -0.50199901       0.63874816      -1.82683527 
O       5.58844393       3.64241686       6.20899540      -3.80779761       0.38485609      -0.24556484 
O       0.33121829       5.83111878       9.14107807      -0.50573556      -0.17445357       1.66443108 
O       8.62507408       0.17726008       6.30878725      -1.30578152      -1.64040580       0.20947661 
O       1.32284387       3.45000178       6.21925844       1.38183414       0.32502632      -1.40640599 
O       6.99730457       2.09563947       1.65781725       0.51456473      -0.89567647       0.58971028 
O       8.87077651       0.01158323       1.34612161      -1.62526772      -2.07890138      -3.30659650 
O       7.27189666       9.13473033       4.36449677      -0.02988068      -2.44866101      -0.38669964 
O       6.83388618       1.71571606       4.56868029       0.17476550       1.14487389      -1.66713369 
O       3.78238776       8.97076480       6.69096624       0.11992403       1.21012374       2.34266296 
O       9.29650071       7.21606904       8.96704605      -1.74716072       1.63632335      -0.64061245 
O       7.66808819       1.71491189       9.58959668       0.23161467       0.82920392       0.77956878 
O       7.37415744       9.11499495       9.62435744       0.12785730      -1.69404926      -0.83991101 
O       5.53411860       7.04232025       9.17482143       0.04064417       0.93097474      -3.91141472 
O       9.09022004       7.25814195       3.60354222      -0.29264589      -1.31079150       0.95190257 
O       5.66545968       7.38592144       6.07921744      -0.84180537      -2.08666184       1.43593177 
O       7.13243751       8.51586347       1.78227859       3.27732843       1.89124084      -0.53498706 
O       8.94682879       7.14068157       0.89970010       1.88588221      -1.22248502       0.55667128 
O       7.53627337       5.30363614       9.48552453      -0.39149124       1.40446590      -1.48701497 
O       3.86802150       9.04663466       9.92883546       1.12296731       0.09246146      -3.48095633 
O       9.17408800      10.84289803       8.58769864       0.61246355      -0.77423493       2.62111292 
O       7.54284642       5.21423594       6.64615225      -0.32546292       3.14369299       1.14084347 
O       5.03298853       0.55046121       6.22476841       1.81955359      -2.37792811      -0.82660501 
O       0.22258987       5.81199870       6.68169403      -0.34146073      -0.07770098      -1.42780922 
O      10.94455646       9.25806793       4.23239754      -1.49352487      -2.13470384       0.92299125 
O       1.47988203       7.28300440       3.38697475      -0.99566440      -1.12492616      -0.25593239 
O       3.14854558       9.26911848       4.12845241       2.01288250      -3.87543531       0.12733498 
O       3.52977570       5.55728419       1.59653150      -2.51675510       0.06154522       0.54146334 
O       5.61851968       6.95312318       0.88947617      -2.31040190       0.49640372      -0.01468563 
O       9.10067152      10.88759249       3.78645487      -0.39385107       1.71675454       0.70592388 
O       9.59421817       3.73612199       8.90001724       0.66221635      -1.47409355      -0.06464429 
O       7.30383307       5.31734527       1.43889184       1.56398656      -1.43599968       0.42501177 
O       9.14651504       3.21357601       0.77905372      -0.01128215       1.96106944       0.68718777 
O       8.88921612       3.60022487       3.34250450      -0.69657586      -1.00517633       1.74516002 
O       6.89746111       5.32128592       4.01789678       0.76311926      -1.82322599       0.48534728 
O       3.56105990       8.93284893       1.54868016       0.59104234       1.64579141       2.28698709 
O       9.38834573       3.45240914       6.22643397      -1.36615993       1.55706544       0.00470902 
O       7.49195920       2.38005186       7.04674395      -2.13985586      -0.73014774       0.20854663 
O       1.47700202       3.54073642       8.90294287       1.06200206      -0.38626683      -0.54013755 
O       6.97676469       9.09585362       7.10126668       2.87164521       1.23316282      -1.41095413 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025038603609113405 0.0016205658516621891 -0.01304030212322519 0.0016205658516621891 -0.008187419476543145 0.0022761746380864432 -0.01304030212322519 0.0022761746380864432 0.0003518426449878703" pbc="T T T" energy=-1060.14403778 free_energy=-1060.14404057 config_type=crystal 
Hf       1.53660825       1.97370817       2.36576349      -0.11236559      -0.44107453      -0.92622550 
Hf       3.65803716       7.41671120      10.61884707      -1.06423984      -0.82238093       0.13297362 
Hf       5.32617679       5.19184265       2.77183328       4.50473932       2.50106675       1.87376433 
Hf       9.02559542       5.34702277       7.79605412      -0.38081279      -0.56960650      -0.43485010 
Hf       0.14086688       7.29472918       5.33224745      -1.16299009      -1.84219433      -2.15236393 
Hf       0.06816505      10.55822993      10.44891222      -0.28816512       2.67912285      -0.42490025 
Hf       7.15221737       3.17579414       5.16463376       6.65697739       4.06743161      -0.62467347 
Hf       7.23886026       7.31432168       5.30621395      -1.40798560      -0.09441250       0.48118182 
Hf       1.85238581       5.35606071       2.77118385      -2.38663004       1.60416522      -0.91700995 
Hf      10.83294484       3.37599017       4.94477619      -2.14965565       5.17006903       3.32959697 
Hf      10.91141018       3.51755133      10.35538254      -0.98414498       0.86117203      -0.27707990 
Hf       1.56021526       5.64778185       7.71062172       4.00819656      -2.83932070       5.01219627 
Hf       9.16635000       8.95511821       7.68125273      -0.42084290      -0.02399901      -1.73302068 
Hf       1.44968039       1.96238252       7.90438871       1.53074795      -2.40986693      -0.80428048 
Hf       7.20251297       7.11431114      10.25730876      -1.46642717      -1.22755023       0.28788396 
Hf       9.35305306       9.01383054       2.75455265      -2.58291707       0.17861698       1.68540981 
Hf       5.40150028       8.97031199       2.53927480       3.20523626      -0.62222165       1.34061711 
Hf       5.25467947       8.96026216       8.12930452       1.02111505       2.51887054      -3.16311275 
Hf      10.90076116       0.03468549       4.92200154      -0.05196875       0.25245479       0.99059295 
Hf       3.23887396       3.35449417       5.42950195       1.82474263       2.49456020       1.39681702 
Hf      10.71275741       7.14985361       0.27409045       2.24484287      -2.88650906      -0.04067729 
Hf       1.70048186       9.32435590       7.70366972      -1.53521930       1.54633140       1.74520511 
Hf       7.31270107       3.53204195      10.57965880      -4.96886239      -0.26030963      -6.38273474 
Hf       8.93984116       5.39962330       2.64275162       1.84671503      -0.62154357      -0.57604098 
Hf       3.49193149       7.33037168       5.05496809       3.96137825      -1.27846824       0.72130526 
Hf       3.74150972       0.22245939      10.47216804      -3.35817989      -0.89995749       0.79186301 
Hf       6.98908012      10.81170762       5.42863548       5.52601653      -0.74236393      -2.57718986 
Hf       5.41817432       1.67896460       2.63755531      -2.35630600       0.02352084      -0.01529005 
Hf       5.36033650       1.65014112       7.85273315       1.10469789       2.02103631      -0.36106346 
Hf       1.91016107       9.37379233       2.63241864      -0.00334769      -1.54232875      -0.37487000 
Hf       3.54167611       0.04556020       5.10548497      -0.68229058       2.28636307       1.46206389 
Hf       3.79168732       3.65770366       0.13311271      -0.64556877       0.54878296      -1.21280450 
Hf       6.96010423      10.85739206      10.53383421       1.20329108       0.24224697      -0.70809145 
Hf       8.78680721       1.61459810       2.17614894       6.81707129       1.68617067       2.19171444 
Hf       5.27779279       5.26032039       7.94342712      -0.27989148       1.33696737      -0.47896158 
Hf       9.20768381       1.47692698       7.91618371      -2.51712613       4.92052652      -0.83232402 
O      10.88172391       9.00745623       1.33422638      -0.72330182       0.43885044      -0.17712701 
O       5.37700880       7.18808304       3.55082365      -0.84409426       0.33373216      -0.45673999 
O       0.31408201       5.40113139       4.29418434       0.14102609      -2.59769740       0.10850891 
O       0.20716109       1.91062254       3.92367260      -0.21016646      -2.48415637      -0.95002694 
O       1.82131481       0.18874635       3.74067385       1.22433307      -1.19583417      -1.55508873 
O       1.82536086      10.82611114       0.95719300      -2.20761203      -1.83539296       0.51807100 
O       1.61851334       3.76075700       1.09208606       1.44540877      -1.45924320      -1.35628036 
O      10.86211617       1.70908166       9.38130367       0.40254667      -1.02024589      -1.09639373 
O       1.76354810       0.08956749       9.16902809      -0.76621392      -2.32039626      -2.19598299 
O       1.56654859       0.15054618       6.22883039       1.82392608      -2.14845499       1.40192748 
O      10.76614545       1.74976118       6.53695851      -2.62271659      -0.58568713       1.05742688 
O       2.13066580       3.52852475       3.58069954      -1.70392542      -0.32590509       0.65297790 
O       1.74408915       7.15799425       1.61931253       0.82108535       1.48637094      -4.31510947 
O       2.15592562       6.91294830       9.17760835       0.16777031       1.70702749       0.07592233 
O      10.67263303       1.89780413       1.16388942       1.93963911       0.66829637       1.24970454 
O       3.46947585       4.78022605       7.18843883      -0.22976682       0.56496856      -0.40608146 
O       3.47919755       1.78892263       6.90259398       0.02959871      -1.03495571       0.08194353 
O       5.38590091       3.50841348       8.61707592       0.03587111      -2.21613837       1.00426848 
O      10.93673519       5.46764176       1.62301652      -1.60674102       0.29156609      -0.80989326 
O       2.03138844       6.98822840       6.32224910      -0.81405412       1.78598701       0.60851332 
O      10.95435781       9.04196850       6.59859980       1.69778954      -1.24678827       1.75755692 
O       3.76670424       1.98501520       4.21501615       1.17002475      -3.04148920      -0.74181049 
O       5.15880538      10.94574376       3.83086220       2.12040940      -0.90952720      -0.76778266 
O       5.24727858      10.80571228       1.00883984       2.58767603       0.38342348       1.37836413 
O       3.31860308       1.38388304       1.70751983       2.67496305       1.91499411      -0.55677083 
O       3.62213960       1.88872040       9.46805864      -0.20624853       1.13729132       0.22755759 
O       5.44444911      10.94634163       9.07411261      -0.38659236       0.67703515      -0.35232658 
O      10.85567941       8.75861512       9.45383193       0.67163301       0.66941794      -0.36234101 
O       3.87818428       5.16442537       4.57326490       0.12150005       0.82525376      -1.12725712 
O       6.12522033       3.44493562       3.37560172      -1.39715079      -0.30734947      -0.82694947 
O       5.41640887       2.83838724       0.82499598      -1.31951685       0.18567487      -0.17235229 
O       9.17906871       7.10430360       6.22738867      -1.25412630       0.79968807      -1.13013794 
O       4.30208069       5.44310328      10.02162695      -0.96462371      -0.69628453      -0.45411914 
O       5.58173930       2.79078551       5.83353799      -6.68603950      -0.39465664       3.99833024 
O      10.87137487       5.56885471       9.29991795      -1.71103261       0.90612999       1.79412972 
O       9.22589159      10.49366984       5.74229195      -1.49755272       0.94971801       1.14141956 
O       1.45886250       3.23412848       6.35907624       0.70448994       2.40845215      -2.29067208 
O       7.11390270       1.52894563       1.51440355      -4.08769396      -1.07044935      -0.86589920 
O       8.79718364       0.67857607       0.26981802       1.50402780      -2.40139668       1.11290415 
O       7.62687445       9.27633904       4.09332983      -0.57732668      -0.98516567       1.04621786 
O       7.51602362       1.55024990       4.28880756       0.47404711      -3.23376240      -4.91987165 
O       3.40657220       9.06354722       7.04561632       1.23942854       0.36397863      -0.95013403 
O       8.67792363       7.29673654       8.61951177      -0.07233363      -0.79505535       2.18245332 
O       7.21560615       1.90331664       9.10259960      -0.50820246      -2.24480831       1.10079943 
O       7.02575302       9.03902693       9.48478624      -0.23488534       0.11439145       0.75813299 
O       5.21765170       7.15427556       8.61733675       0.46697017      -0.08825294       2.38796141 
O       9.89012659       7.25573382       3.56982384      -2.88907959      -1.14722448      -1.47838400 
O       5.31220658       7.54680318       5.97159116      -0.61142263       1.79009732       0.47534688 
O       7.24765420       8.95638483       1.77647526       2.34920410       1.75302060      -2.10592690 
O       8.68700035       6.82610381       0.95418510       2.11597257       0.58558532      -0.36968812 
O       7.32310182       5.26363370       9.14158709      -0.10225641       0.52006557       1.15428277 
O       3.84111718       9.24573553       9.63760224      -0.84418587      -1.38554208       0.33222658 
O       9.24163240      10.73831052       8.68567803       0.52653983      -2.99543352       0.22805401 
O       6.71940935       5.87971785       6.67673539       2.21651871      -1.87674278      -0.34726541 
O       5.48199280      10.53849467       6.46929546      -4.43570637       1.25847524       1.89826522 
O       0.01101199       5.72589396       6.75477117      -3.62064543      -0.78658213      -0.74013876 
O       0.10496199       9.07596442       4.14026665       1.68183611       1.41617793      -0.95015302 
O       1.94121815       7.11400229       3.84726232       0.08201821       1.23793953       0.14687064 
O       3.45917765       9.20715332       4.29976510      -0.94397765      -0.54898539      -0.95040406 
O       3.79141824       5.02148747       1.76503665      -3.44596184      -0.41417590      -0.93860792 
O       5.42391143       7.54320238       0.97859757       0.36392940      -1.01817652      -2.16984986 
O       9.89082580       0.04769914       3.00459137      -1.52982130      -0.96844295      -0.53868390 
O       9.13396001       3.48779516       8.93199809       1.27805299       0.46631170       0.41117592 
O       6.53788508       5.04099299       0.95639689      -0.35786594       2.24160318       1.79338827 
O       8.67459432       3.70408544       1.06157828       5.85054900       0.17494450       3.66949362 
O       9.27132141       3.59410024       3.50454584      -0.28201571      -0.41383174       0.14431723 
O       7.32545605       5.62546162       3.73778096       0.76975295       1.14546831       1.35798614 
O       3.71188776       9.07112012       1.70828119      -4.41850194      -0.30312674      -0.93435607 
O       8.82568928       3.86495853       6.28632042       1.05042006       0.82074395      -0.33912866 
O       7.56830050       1.57861454       6.52932625      -0.11732622      -1.63817910       2.90969197 
O       1.35208292       3.67508502       8.79540758       0.71841754       0.80617974       1.53371669 
O       7.40358142       9.04796439       6.73577193      -0.88420186      -0.45088683       0.55327418 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0032710536104210266 -0.006063348281258356 -0.007605994458910033 -0.006063348281258356 0.0006196224792646781 0.010286577401042551 -0.007605994458910033 0.010286577401042551 0.006855062261809782" pbc="T T T" energy=-1062.46892508 free_energy=-1062.46913128 config_type=crystal 
Hf       1.56063936       1.92108617       2.37555323      -0.26776548      -0.63929251      -1.39595256 
Hf       3.59151967       7.42778684      10.59118393      -0.37273768      -1.04120911       0.56804937 
Hf       5.38876459       5.18851531       2.80056315      -0.94730452       3.66312147      -0.86612668 
Hf       8.94123685       5.39878571       7.76139593      -1.46156841       0.59776229       0.51793217 
Hf       0.08629176       7.23927856       5.34030806       0.59683360      -0.34350625      -1.18860437 
Hf      10.91507770      10.66241097      10.43266791      -1.53287274      -1.45056137      -1.22856171 
Hf       7.28202000       3.06472856       5.12594941       1.79673166       1.47419999       0.83130870 
Hf       7.27294427       7.38199120       5.35674953      -2.13995973       0.27215763       0.17836267 
Hf       1.80073035       5.46274125       2.81035915       0.33562519       0.45215713      -2.04103629 
Hf      10.82486512       3.56757960       5.02282589      -3.17448792      -2.96108596       1.75219605 
Hf      10.84236415       3.57422825      10.29113502       1.34619077       0.13539168       2.76512164 
Hf       1.67615220       5.50826080       7.78062602       0.10082693       2.09347581       2.16306764 
Hf       9.18599433       8.95724828       7.53264688      -0.31491215      -1.18952274       0.81722361 
Hf       1.36197651       1.89909288       7.76018156       3.79941286      -1.13442944       2.81321833 
Hf       7.20216237       7.09359433      10.23527569      -0.72824230       1.62073013       2.50726899 
Hf       9.34303741       8.96301420       2.76536861      -2.96206819       0.25371141      -1.67498159 
Hf       5.56740019       9.07317064       2.49504530       1.19885592      -1.65523927      -1.44721513 
Hf       5.23595216       9.02138601       7.99459629       1.37297113      -1.50580682      -1.04779590 
Hf      10.89568306       0.05996953       4.96451148       0.01370060      -1.77536170      -1.72056235 
Hf       3.36231489       3.36591645       5.27519321       1.41248846       1.00800758       0.82984466 
Hf      10.77588654       7.17934245       0.24411911       1.38213316       0.92176502      -0.70005990 
Hf       1.71869390       9.25827358       7.66996304      -0.78370936      -3.78720074       3.26348722 
Hf       7.21676267       3.47331330      10.56375080      -0.16815425       2.28896687      -0.39250728 
Hf       8.97207306       5.33910641       2.76475851       0.54665532       0.43228033      -2.42009995 
Hf       3.68907726       7.34747881       5.08286847      -0.18683255       0.42950030       0.61350844 
Hf       3.65388001       0.19019090      10.61121906      -2.21712415      -1.09907333       1.66713459 
Hf       7.06511706      10.86766254       5.28854781       1.64478132      -3.95567099       2.16532715 
Hf       5.27408989       1.68739393       2.69566852       1.67273167      -2.36159913      -1.50706155 
Hf       5.41130239       1.60377445       7.94599094      -1.81366441       2.28042938      -1.15838700 
Hf       1.83949542       9.26536200       2.71639922       0.50931810      -1.25520573      -1.92470800 
Hf       3.44733564       0.08198210       5.15119487       1.59040026      -3.03376026       2.42592989 
Hf       3.80883313       3.62188553       0.06013378      -4.26911417       1.77866239      -2.68304229 
Hf       6.99127449      10.95588814      10.49998807       1.54790151      -6.67597926       6.59740228 
Hf       8.88080804       1.61336577       2.22920083       4.26645105       0.04693196      -1.05582254 
Hf       5.24961309       5.20587476       7.86291148       1.50661474       1.27950870       2.76999746 
Hf       9.09499664       1.54605320       8.02222861      -1.15315793      -0.57040894       3.27499398 
O      10.67730598       9.15021860       1.27398641       0.40696982      -1.74524086       0.15783082 
O       5.09871741       7.17558191       3.45725667       0.81950540       0.17126676       0.19628165 
O       0.24849249       5.08431980       4.14654190      -0.06716198       4.95619289      -1.84364877 
O       0.06920993       1.79266268       3.92985114       0.40288524       0.80481183       2.22708705 
O       1.85815173       0.07172367       3.77985522      -0.22778747       0.51755316      -0.31315792 
O       1.48316335       0.14550280       0.99765495       2.43197246      -0.43111531       0.60491294 
O       1.85453253       3.53316549       0.77189860      -0.82356055      -0.84626979       0.86479546 
O      10.87610403       1.74086052       9.36914707       0.19049406       0.56758286      -0.51753911 
O       1.52029586      10.70752767       8.88742241      -0.08728507       3.49861778       2.13790151 
O       1.72647223      10.91299419       6.53421527      -1.26956567       2.27811576      -3.55965586 
O      10.54263976       1.99593559       6.91725233       1.49028877       0.00205258      -3.28307375 
O       1.99747009       3.53867537       3.66333789       0.64009943      -0.68753347      -1.24306253 
O       1.83545233       7.53820130       1.18089253      -1.11327414      -1.52891875       0.18237164 
O       2.15742934       7.28977586       9.11166348      -0.54832573      -1.84673248      -1.61601705 
O      10.85196325       2.10381790       1.33250937       0.04946888       0.11153773      -0.18088134 
O       3.44925447       4.66870789       7.13709598       0.78121990       1.04296389      -1.10817923 
O       3.64145284       1.49378421       6.65136609      -1.73456411       1.02075959       1.44697037 
O       5.36920670       3.34809378       9.06774339       1.18258660       0.80544646      -1.46292446 
O       0.06283343       5.62390335       1.58020695       1.04343418      -1.35181864       1.28710626 
O       1.89063978       7.23289472       6.42139726      -0.18565489      -2.23625578       0.07989580 
O       0.14203479       8.94108029       6.53173510      -2.39600239      -0.21870323      -0.72805496 
O       3.80913902       1.64462609       4.13886085      -0.06135705       3.53866064       0.46299741 
O       5.69207586       0.06441997       4.04460830      -3.79813928       0.59964655      -4.15221019 
O       5.36566287      10.74790294       1.33991842      -0.85042446       0.33275862      -2.52219327 
O       3.56573877       1.43448310       1.80889626      -2.29207822       0.02698900      -1.95898851 
O       3.36523861       1.83743514       9.40566460       1.04173097      -1.52186847       0.63374224 
O       5.46985389      10.85540606       8.87726799      -1.01526362      -0.20293637       1.59958860 
O      10.89068712       8.76371327       9.43093143      -0.05275814      -0.39826770      -0.15577921 
O       3.64425911       5.34338560       4.39619107       0.90115281      -1.92618200       0.40127294 
O       6.09806873       3.43440241       3.51463839      -0.84225246      -0.09093340       0.85542249 
O       5.29564362       2.86902197       0.92421398       3.44169256      -0.12945369       1.15007201 
O       9.07618519       7.40549029       6.10597318       1.40840169      -0.88542844       0.39506283 
O       3.94724499       5.37255332       9.75007640       0.00788724      -0.54796913      -0.36604118 
O       5.38231566       2.92004472       6.25952896       3.15268352       1.57500001      -1.56521879 
O      10.65095680       5.76951035       9.35411342       0.20568060      -2.05323085      -0.33633191 
O       9.09776927      10.64140876       5.69463130       1.93236233      -0.31729613       0.38012374 
O       1.57605840       3.52310525       6.07240446      -0.14430187      -1.76466489       2.43968549 
O       7.05418943       1.26452279       1.69255505       0.13175679       1.76990872      -1.82943825 
O       8.97656765       0.21608869       0.45396480       0.50371707       1.21297846      -0.97132305 
O       7.46165348       9.20692051       4.12246424      -0.43112535      -2.07175500       0.94140276 
O       7.86182532       1.36989485       3.88332354      -1.87858809       1.36954375       5.47974695 
O       3.48514195       8.85003308       7.11626399       0.73385833       0.45587025      -0.57956089 
O       8.52816629       7.40468524       8.66473380       1.15729108      -1.19640592      -0.49868362 
O       7.07380462       1.56064057       9.59108261       1.37200647       6.06662645      -3.96611354 
O       7.08981889       9.08763881       9.93092937      -0.81441579      -0.14111021      -2.59973204 
O       5.23145154       7.10074893       8.89065819       0.79444451       1.33694357      -1.19725684 
O       9.42630290       6.99161654       3.65943577       2.36700762       2.51537835       0.48900509 
O       5.32617701       7.50698952       6.19484894       1.10671718      -1.18358254       0.04095371 
O       7.64325159       9.14686322       1.64494202      -1.16956888       0.13933405       1.65043928 
O       8.89928435       6.70780070       1.05110510      -0.77604760       0.58993188      -1.23073660 
O       7.11612512       5.42936182       9.17144863       0.41022651      -3.25064001       0.82496152 
O       3.63003329       9.29064976       9.92240948       1.17551338       0.71277877      -2.05083571 
O       9.53834717      10.55020488       8.54617209      -0.88306834       4.23342206      -0.00294610 
O       7.04934885       5.47245462       6.68313745      -0.93653947       0.56660926       0.59080938 
O       5.21835398      10.28176535       6.30221396       0.61517879       2.23576130      -0.18197779 
O      10.81223088       5.54374696       6.65874315       0.69887064       0.09224445       0.93351887 
O       0.16095153       9.12785872       3.92672897      -0.61139317      -0.97383815       2.59518238 
O       1.90022332       7.13061717       4.02513459      -1.77357560       0.10006593      -2.49726525 
O       3.53228671       9.11892389       4.14318441      -0.15727637       1.04584926       1.06649137 
O       3.62843941       5.12493512       1.61343288       0.94786875       0.24099569       2.20135407 
O       5.58033715       7.49350684       0.86893287      -1.17581970       1.06276667       0.67777672 
O       9.87581126      10.91469829       2.83019286      -0.57278565       0.02486136       2.11852161 
O       8.90705084       3.58863857       8.99563445       0.48670476      -1.04107441      -0.84850899 
O       6.59195568       5.13719828       1.25502640       1.70476418      -1.33319725      -0.29154631 
O       9.14242144       3.58957333       0.96366851      -3.51357173       0.53230190      -0.96271091 
O       9.23407298       3.46636227       3.56584264      -1.67781702       0.57271135       0.19806702 
O       7.45735391       5.83084083       4.11889640      -1.60471464      -2.42205843      -1.87954471 
O       3.47030643       9.15307155       1.70654420       2.66286361       0.29938643      -0.03215078 
O       8.88859524       4.00163704       6.15635496       0.05628333      -2.11799756      -0.97424770 
O       7.52425048       1.22968084       6.84825078      -2.20085452       2.27377386      -0.12377152 
O       1.73519046       3.72381260       8.89836741      -2.68909296      -0.31578554      -1.69940079 
O       7.26532842       9.00692771       6.91212852      -0.27713870       0.76306787       0.05728388 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006540447946848483 -0.0006217323465265734 0.0044649894069906035 -0.0006217323465265734 -0.005404096787828999 0.002777113086182914 0.0044649894069906035 0.002777113086182914 -0.008369986751712811" pbc="T T T" energy=-1065.68118772 free_energy=-1065.68118789 config_type=crystal 
Hf       1.58968186       1.85904103       2.35258056      -0.05893548      -0.06836893      -0.36026965 
Hf       3.53647212       7.42478961      10.58039093       2.19423205       2.00750872      -1.73750350 
Hf       5.43861734       5.26062332       2.80848579       1.72712217       0.20015242       0.16850380 
Hf       8.85262790       5.46604295       7.76570333       2.09911426      -1.57909738       2.52413067 
Hf       0.04601279       7.17563636       5.30640761       1.90195952       0.19986336      -0.83676805 
Hf      10.81794903      10.73064669      10.38626043       3.96138741      -1.66382470      -3.30501724 
Hf       7.41853472       3.02841172       5.11502269      -4.63916095       1.25408416       0.36435479 
Hf       7.26132631       7.41559292       5.40625006      -0.70205895      -7.08554274       1.85983865 
Hf       1.75966617       5.56150871       2.79188797       1.29070975      -2.12641913       0.04347684 
Hf      10.76648782       3.70066180       5.11358405       4.43982543      -1.67929149       0.99005520 
Hf      10.80626347       3.62929431      10.29039577      -0.10824947      -0.46276955       0.34299866 
Hf       1.77865927       5.42758608       7.89390065       0.36384273       0.38965322      -1.49223036 
Hf       9.19396416       8.94162075       7.43496382       0.04967426       2.62763440       4.23678138 
Hf       1.37724151       1.82401612       7.69634209       0.40359607       0.44859105      -0.14171428 
Hf       7.18266595       7.09685045      10.26731564      -0.83627717       0.53391520       0.48718359 
Hf       9.26990162       8.91945501       2.75077245       0.18201409       0.97792116      -0.84800943 
Hf       5.72931432       9.12215043       2.42542471      -1.83837167      -0.62229176      -0.83561826 
Hf       5.25739645       9.05906282       7.86612601       1.63720704      -0.04013320       2.95733919 
Hf      10.90109718       0.03942210       4.97124176      -0.32425429       0.19979184       0.11725622 
Hf       3.49322254       3.41396268       5.18149029      -0.71072469       2.50549626       3.61339967 
Hf      10.85885994       7.19842441       0.20433679      -1.66202519      -1.28951195      -3.29208527 
Hf       1.70907991       9.14851999       7.71382711      -1.49366368      -1.09200147       2.10873730 
Hf       7.13181390       3.48233984      10.53554462       1.42536765      -0.11058802       1.83959378 
Hf       9.01542989       5.30432560       2.81611635      -1.84446504       0.90295855      -2.81378160 
Hf       3.84714955       7.35504294       5.12108961      -2.23575300      -0.48068907       0.43473894 
Hf       3.52607181       0.14060405       0.13316925       0.10509842      -2.88907981      -0.63119099 
Hf       7.15516332      10.83071222       5.21015032      -2.06239008      -2.32855648       3.64078906 
Hf       5.16535761       1.65723535       2.71533759       2.15427195       1.70935682      -3.92242746 
Hf       5.41477435       1.62114398       7.99811598      -2.98991256       2.13689674      -0.27905449 
Hf       1.78075932       9.15116213       2.74991309       1.96790513       0.88537164      -0.57287630 
Hf       3.39783271       0.08713942       5.23595328      -0.19685384      -0.36668221       0.10793872 
Hf       3.75348791       3.61655292      10.58283304      -0.08563522      -2.45577602       0.22230740 
Hf       7.03913359      10.93895235      10.57056941       1.08965972      -1.10881151      -0.69852932 
Hf       9.05074251       1.62226314       2.26666720       0.63959073       0.97051385       0.39976192 
Hf       5.26230485       5.18521087       7.85306818       1.89683610      -1.10458063       0.96820128 
Hf       8.97817029       1.62605567       8.16924628      -0.28894454       3.56916127      -3.54880611 
O      10.63461429       8.91233404       1.33349329       0.97122455       0.59461611       0.40201540 
O       5.05187427       7.31388301       3.44424401       1.44965936      -0.91389993       0.44964414 
O       0.02609248       5.44299010       3.94728865      -0.74078617      -1.56353189       2.49904873 
O       0.01489150       1.89476570       4.35450275       0.33538596      -0.27210376      -3.38797867 
O       1.85709667       0.05438799       3.67181643      -0.15886835       0.10620654      -0.94611558 
O       1.54609078       0.10068181       1.12783416      -0.50682675      -1.82890637      -1.60880934 
O       1.94984600       3.13964503       0.63500208      -0.91494205       1.65598135      -0.07602877 
O      10.89675828       1.86001119       9.21439457      -1.58361232      -0.16963528       2.34005944 
O       1.31897925       0.00760686       8.77941274       1.51697122      -1.91556072      -0.66280944 
O       1.57398750       0.03062071       6.17402960       0.21062760      -1.11856556       1.11766494 
O      10.52095433       2.09652153       6.60576353       0.71474825      -1.92489227       3.18190408 
O       1.91903236       3.40599964       3.55576167       0.37243885       2.80584909       0.36574059 
O       1.74085121       7.60927331       0.77580773       1.54201553      -0.38055954       2.19100456 
O       2.01214346       7.22723858       8.72211573       0.72459505       0.33565556       2.34457366 
O      10.85083982       2.31847246       1.45210549      -0.90445964      -1.09025241       0.53888199 
O       3.60358540       4.88476262       6.86278030      -0.55909205       1.13424193       0.41351418 
O       3.41636379       1.47908104       6.83333510       0.84746363       0.99254174      -0.04426894 
O       5.46926314       3.40856575       9.10199789      -2.76761174      -0.69627559      -1.30498081 
O       0.20373306       5.48125262       1.63882981      -0.88963326       0.27590820      -2.44774414 
O       1.84252694       7.08958925       6.42681879      -0.22831855      -0.67576587      -2.96915887 
O      10.94577586       8.84662412       6.54268669       2.08491189       0.85394488       1.44639947 
O       3.81318957       1.80949449       4.14528226      -0.52725430      -2.11813683       0.35981128 
O       5.64236695       0.01302581       3.55250516       0.90297052      -2.27671606       1.31056159 
O       5.44058252      10.78616962       1.05921748      -1.17489460       0.66714038      -0.14741527 
O       3.51117965       1.60747889       1.53289376       0.91905971      -0.05035985       1.74886966 
O       3.40229782       1.56917573       9.50423678       0.67539385       2.64957568      -0.24878336 
O       5.28731531      10.85910744       9.05064601       1.33126053       0.44881509      -0.86212329 
O      10.89951831       8.78163214       9.21681831      -0.33159601       0.10218583       1.30728506 
O       3.71153739       5.24730564       4.34292309       0.19483766       1.19786841       0.28466156 
O       5.81297378       3.36543877       3.76314165      -0.61349990       0.29084336      -1.05921911 
O       5.53702764       3.06693017       1.02982234      -2.90632899       0.30078728       0.60301375 
O       9.13844036       7.48766927       6.06529695      -1.56158481      -1.74035961       0.94655297 
O       3.64516955       5.18361283       9.37998292      -0.54896799       1.51587979       1.09667506 
O       5.62424430       3.30618883       6.44803013      -0.99963428      -0.06503453      -0.76307569 
O      10.52271606       5.53174564       9.44461468       1.18263445       0.29464116       0.82949189 
O       9.15699577      10.69622382       5.82384487      -1.76952906      -1.70927990       1.05940890 
O       1.70863520       3.41772760       6.26980805      -0.20934445       0.45443732      -2.11110293 
O       7.32541277       1.31877799       1.45623263      -0.87466291       1.63687531       1.40304959 
O       9.22312531       0.11744525       0.57939083      -2.64775685       1.57534642       0.05132653 
O       7.16853863       8.89768828       4.43721486      -0.10264226       4.79998159      -4.67646684 
O       7.90167262       1.27858492       4.24244057      -0.31430828       2.61819520      -1.47487102 
O       3.57339537       8.81811551       6.95371692      -1.65761877       0.78062091      -1.12696203 
O       8.64463591       7.32508595       8.68869306      -0.59537439      -1.09884505      -0.88780371 
O       7.22084739       1.82984997       9.39122765       0.14687675      -4.12040678       0.03478497 
O       7.00067638       9.10993427       9.77821806       0.78559015      -0.52513722      -0.27572855 
O       5.41094139       7.12735141       8.96962348      -0.50480258       0.07470378      -1.41152926 
O       9.36075841       7.20005707       3.71923771      -0.59944636      -0.78200000      -0.67994132 
O       5.45349603       7.30103874       6.35169387      -0.14659995      -0.54115906      -0.70560047 
O       7.67143185       9.39901457       1.70696234      -1.90487775      -0.63142947       0.62320212 
O       8.94520949       6.82151982       0.79686793      -0.52903208       0.40146824       1.18516572 
O       6.94794066       5.05639877       9.53385002       1.10859427       5.58265585      -1.98073483 
O       3.66247445       9.24736359       9.66759696      -1.12378778      -1.50115466      -0.42055439 
O       9.60069098      10.89170187       8.43796898      -0.14254476      -4.70073007       1.46768955 
O       7.21146424       5.21387012       6.79145503      -0.45073940       1.56323842       0.26639890 
O       5.14566617      10.67752894       6.06656967       1.94383090      -0.68920345       0.98327211 
O      10.73165245       5.36924318       6.77357961      -0.15178420       0.70097846      -0.72134213 
O       0.18080884       9.06165600       4.20996599      -0.49876753       0.09485671      -1.61889315 
O       1.66111432       7.33174906       3.73206362       1.29397056      -1.22498847      -0.80560866 
O       3.47827155       9.07716411       4.17722049      -0.82227547       1.12724557       1.25918258 
O       3.60018247       5.22472982       1.88867275       0.28217819       0.07367957      -2.60144980 
O       5.47434990       7.66221062       0.82592017       1.01872102      -1.31615857       0.37107443 
O       9.67403855      10.83374222       3.15016477       0.37832840       0.29882645       0.15211896 
O       8.94637664       3.46271534       8.90838003       0.97408015       2.79169548      -0.93401018 
O       7.01665122       5.01888772       1.51841972      -0.46679579       1.63431792       1.54582398 
O       8.93310607       3.56705426       0.76024305       1.46373549      -0.05918170       0.97486044 
O       8.85370279       3.45092997       3.53076365       0.63374573       0.43693977      -2.34562231 
O       7.28016778       5.60898336       4.11114074       0.13266481       0.94591613      -0.06973078 
O       3.80033533       9.18199747       1.65896773      -3.11393718      -0.30930398       0.53871564 
O       9.03986342       3.56496473       5.73097101      -1.40426991       2.19042828       4.61741508 
O       7.00357326       1.30973042       6.94510212       3.96650545      -0.68873937      -2.61136203 
O       1.46986211       3.66262761       8.71835084      -0.29823677      -0.11816959       0.97000105 
O       7.16359167       9.13558029       7.05346212       0.71909841      -0.13820670      -1.34218858 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009026046480929901 0.0010078568111883412 -0.004028992001379228 0.0010078568111883412 -0.015362867863912348 0.013647684291561973 -0.004028992001379228 0.013647684291561973 -0.022760006110806936" pbc="T T T" energy=-1064.04499295 free_energy=-1064.04499594 config_type=crystal 
Hf       1.62420027       1.79669756       2.32662401      -0.90447977       3.15317869       1.49152971 
Hf       3.53479717       7.46580876      10.52057517       0.82639101      -1.49739131      -0.51534388 
Hf       5.53085646       5.35576796       2.81851074      -2.08120021      -0.34559566       0.06187272 
Hf       8.82432910       5.48418521       7.82602970       0.86326393       2.95251693      -1.92148815 
Hf       0.03821661       7.11508178       5.24855226      -0.09219160       1.37038603       0.13250215 
Hf      10.78496446      10.76027150      10.23608254       0.07742749      -2.23709188      -0.14444695 
Hf       7.45114996       3.07451413       5.13919707      -1.98843431       1.37917973       0.22835076 
Hf       7.21684287       7.30967787       5.46090693      -0.57812229      -1.71585803      -2.51619683 
Hf       1.75684872       5.58549589       2.72843241       2.27802897      -1.87906353      -6.06322609 
Hf      10.79969447       3.79471983       5.27110349       0.68275401      -2.56358440       2.07413619 
Hf      10.77203956       3.67737012      10.32535020       1.14289905      -0.17784346       2.00799711 
Hf       1.90045679       5.34587568       7.97343576      -0.89358905       1.92523131      -2.18320945 
Hf       9.19785354       8.99055002       7.45655249      -0.35639745      -2.21188352       4.38355138 
Hf       1.41591400       1.75667529       7.63334581       2.79878366      -0.36734953       1.94295279 
Hf       7.14033975       7.14158084      10.32312629       2.12493553       3.71602029      -0.83208456 
Hf       9.18127361       8.90350592       2.70401877       2.07654309       1.25558233      -1.09146099 
Hf       5.82718437       9.12022951       2.33250822      -3.22832244      -1.29819267       1.46665449 
Hf       5.32414873       9.09606540       7.79669909      -0.48185784       0.05360217       1.61090718 
Hf      10.86950939       0.01703001       4.97706858      -0.44116309       0.07069080      -0.57221681 
Hf       3.63745138       3.55042919       5.17554634       0.82669790       1.44407704       0.00189819 
Hf      10.91509720       7.18349751       0.06314104      -0.29856861       1.69125525       1.41941481 
Hf       1.67075100       8.97195364       7.84256109       4.51959222       1.76300198       3.13535471 
Hf       7.07414754       3.51506432      10.55608719      -0.74381308      -0.62076015       2.95526122 
Hf       9.01237142       5.30823864       2.77800798      -0.31389181       2.28174033      -2.01560133 
Hf       3.95980637       7.33932908       5.17898004      -3.73659779      -0.04177873      -0.67962273 
Hf       3.37541092       0.00313824       0.27448904      -0.53346171      -0.51633428      -3.34438715 
Hf       7.21819473      10.72958867       5.22199560      -1.44109675       0.10368242       0.19053999 
Hf       5.12240604       1.65694019       2.63335324       2.93253490       1.38130918      -1.18040477 
Hf       5.34066281       1.68537945       8.01788507      -1.53540649      -1.39959242      -2.21232606 
Hf       1.77465715       9.05469959       2.74450739      -0.96791741       3.14390450      -1.69939716 
Hf       3.35534358       0.06096138       5.35045291       3.35314222      -3.14483026       0.30411467 
Hf       3.65702033       3.54982869      10.46471276      -1.61001373       2.68502593       4.09923173 
Hf       7.13390638      10.86555132       0.02188139      -0.00822679      -1.68728875      -0.18444551 
Hf       9.24328380       1.64712263       2.33670689      -3.42506165      -0.66671490       0.57534711 
Hf       5.33622005       5.14975046       7.86083745      -0.01910378       3.12031417      -1.50293427 
Hf       8.87739525       1.78515158       8.23511664       2.07801325      -0.99175370      -2.35870452 
O      10.82340611       8.87596122       1.57984258      -0.60874919      -0.11073157      -0.14934682 
O       5.37793765       7.29976072       3.62203391      -0.34227214       1.33435004      -0.88181752 
O      10.59416057       5.38155587       4.24268716       0.48287008      -0.13611046      -2.20444873 
O       0.04419245       1.95428077       3.93339357      -0.98386647      -0.03143096       2.20806744 
O       1.72072854       0.14076893       3.33774303      -1.21669149      -1.74937114       1.66072338 
O       1.49902994      10.60422366       0.83589730      -0.03596018       2.08339206       0.41302567 
O       1.74292321       3.15141474       0.51808223       0.93901270       0.63875360      -0.62242700 
O      10.46791754       1.69037056       9.63838326       0.25321324       1.58489122      -1.74173120 
O       1.48457689      10.85385842       8.74474870      -0.15653078       1.32986477       0.06234182 
O       1.65628535      10.89521819       6.13959823      -3.00398018       1.34230893       1.07679044 
O      10.66223239       1.59967219       6.88805989      -2.57507490      -0.22968436      -1.83228249 
O       1.94880332       3.89809123       3.50785263       0.42426978      -3.99148595       1.17780424 
O       1.93807258       7.46080045       0.93219423      -2.29984130      -0.66182795      -0.61801692 
O       1.95618208       7.26529391       8.81711806      -1.08098149      -2.38345823      -0.62226856 
O      10.87494970       2.31763936       1.54980599      -1.19843904      -0.28204720      -1.11080346 
O       3.62095953       5.44912426       6.74769565      -0.39179993      -2.14871080       1.73878336 
O       3.48764024       1.78070476       7.02837523       0.06873635      -0.09460032      -0.85152633 
O       5.08836509       3.47250431       8.93234906       2.93420866       0.72235083       0.58667259 
O       0.20614317       5.37947521       1.32222592      -0.71994470      -0.27206172       2.63301945 
O       1.85387911       6.61994519       5.70706936      -0.25855884       0.96837498       1.41653986 
O       0.20035073       8.84390451       6.76581533      -4.10532095      -1.63768722      -2.92172013 
O       3.64895003       1.52185140       4.19863548       0.30151884       4.07949577      -0.81165935 
O       5.51135960      10.83517581       3.27019658       0.02906309       0.00909917       1.33706693 
O       5.22699125       0.08959028       0.76860414       2.55895930      -1.20644442       1.49916899 
O       3.49382962       1.68547783       1.62346379      -1.35056075      -1.07032664      -1.41037946 
O       3.67769551       1.85801215       9.66483087      -0.64920654      -4.71799803      -0.96438489 
O       5.38799756      10.90486386       8.90257723      -0.84618245      -1.36132441      -1.21334370 
O      10.86329986       8.79124746       9.42777813       0.79443083      -0.16203878       0.13657025 
O       3.87049492       5.51327416       4.28754855      -0.18227258      -1.85247975      -0.49191312 
O       5.29528000       3.36805660       3.75351337       1.05052939       0.69266830       0.29521586 
O       5.26594257       3.47056795       1.15648069       1.13822642       0.57003500      -1.78405473 
O       9.00170816       7.11485598       6.26757798       1.25102825       1.01306843      -0.68613573 
O       3.29714586       5.30748838       9.40957214       0.99218326      -0.39985638       0.46357204 
O       5.59483084       3.64422756       6.36148626      -0.97831124      -1.88352575      -0.71970045 
O      10.73462745       5.59096348       9.63062632      -0.10407648      -0.72435753      -2.56735157 
O       9.00837576      10.31467016       6.10740023       2.27881121       2.49129561      -3.41618096 
O       1.71603905       3.40397387       5.96878531      -0.53040931      -0.32964111       1.23255613 
O       7.16860886       1.86800950       1.48059972      -0.37618559      -0.81355813      -0.07163345 
O       9.06366982       0.36631013       0.58795897       0.76909744      -0.22989359       1.04610191 
O       6.99448120       9.08213221       3.97941895       2.27820914      -1.27869008       2.43756901 
O       7.84560387       1.35295140       4.18855823      -1.07280971       1.29057636      -0.24174106 
O       3.43056617       9.01590462       6.58539858       1.48262770      -0.85059807       3.64900794 
O       8.61521160       7.25854480       8.67702603       0.16701465       0.49128214       0.72373184 
O       7.19604980       1.38722352       9.35078760       0.94244748       4.69887365      -0.99443093 
O       7.10248742       9.09631947       9.51792757      -0.64453235       0.91542750       1.32895491 
O       5.42739204       7.23412727       8.65014263      -0.54633649      -0.27663186       1.56088050 
O       9.12686030       7.25702673       3.63890894      -0.23988899      -1.68739558       1.04176421 
O       5.47248420       7.00164139       6.32313353      -0.10916636       2.24410001      -0.50627592 
O       7.61384163       9.61309350       1.69589490      -1.40204174      -0.16286429      -1.91113549 
O       8.88473051       7.13752898       0.85143753       0.54287190       0.12483612       0.30633327 
O       7.02458632       5.42045350       9.56293660      -0.55748430      -4.66314519      -0.32565636 
O       3.43677416       8.98358245       9.24257662       1.56050272       2.37030552       2.05834216 
O       9.42871311      10.52398783       8.69902391      -1.54608207       2.59048000      -0.73152038 
O       7.05234554       5.45637647       6.93475872       1.95584878       0.41577724       0.26393316 
O       5.38636873      10.93954321       6.12258439      -1.05308472      -0.28043159       0.43091979 
O      10.72065044       5.40978893       6.73684132       1.10246851      -0.32565953       0.59732229 
O       0.04373865       9.02096377       4.17948224      -0.12228835       0.45516426       1.25397839 
O       1.62925800       7.29982065       3.38564432      -0.88008648      -0.22076895       3.22845908 
O       3.17775230       9.26513072       4.44380835       0.17230617      -1.52012603      -3.17327172 
O       3.61155567       5.40671774       1.49973851      -0.27615360       0.54762068       1.05292924 
O       5.54774217       7.47890743       0.85227754      -0.97983634       0.69990818       0.65615259 
O       9.46090118      10.80872857       3.48326275       0.36072141      -0.02143842      -1.31250753 
O       9.13075998       3.78726822       8.58121962      -0.24087506      -4.63698286       3.74616867 
O       7.29663048       5.26913964       1.92020559      -2.10656689       0.08720824      -3.00989909 
O       8.85170058       3.59553471       0.60115519       1.25474028       0.35955243      -0.43400266 
O       8.61357006       3.43974718       3.16807900       0.87114799       0.13652655       2.83335598 
O       7.16804868       5.58989144       4.27817133       0.72150888      -1.20043043       0.61032206 
O       3.42477022       9.17669608       1.70168324       3.99902937       1.01008119      -1.98851123 
O       8.91240109       3.61719023       6.33523646       1.05036572      -0.41478803      -3.09167613 
O       7.35853188       1.50284756       6.59150335       0.01776364       0.91334894       2.15144955 
O       1.10934003       3.57761858       8.63041223       1.00359011      -0.60759302      -0.79111887 
O       7.15586780       9.15792966       6.76015061      -0.97027908      -1.73996601       0.11632537 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018035389010714494 -0.0010749334172284037 0.0005182983256773286 -0.0010749334172284037 -0.019298575212364003 0.011178507336511498 0.0005182983256773286 0.011178507336511498 -0.0179762596371048" pbc="T T T" energy=-1059.20998399 free_energy=-1059.20998592 config_type=crystal 
Hf       1.56451012       1.49317856       2.48989639       0.81307582       1.41880931      -1.96417801 
Hf       3.53596825       7.21416588       0.19996285       0.79169122       1.05609113      -3.04106564 
Hf       5.37251596       5.28979641       2.73006683      -1.17062469      -4.08220659      -1.97718946 
Hf       8.75445436       5.62228088       8.06519815       3.45369806       0.96339678      -1.30791017 
Hf       0.06829028       7.21172510       5.15198078      -2.15614289      -2.09992198       2.46731451 
Hf      10.63721557      10.67624961       0.16288454      -0.13136401      -0.68276826      -0.34028355 
Hf       7.52886383       3.58707449       5.32978184      -3.49813582      -0.72853359       0.90070887 
Hf       7.08546596       7.31224180       4.88698344       1.55185656      -0.44408543       3.80523247 
Hf       1.73002613       5.19462383       2.64212461      -1.43605348      -2.48370291      -0.42760095 
Hf       0.21661469       3.31581467       5.11752741      -0.73130519       3.25052013       0.64553618 
Hf      10.75796822       3.45767635       0.04893677       0.91000054       2.42093367       0.46055668 
Hf       1.67781521       5.53029167       7.97076310      -1.11116108       2.11562601      -2.11535665 
Hf       8.96361053       8.95130454       7.81006622      -1.10770894       0.97030491      -0.22339177 
Hf       1.88369258       2.20821554       8.00802880      -0.80301027      -3.23014483       1.35765096 
Hf       7.05699296       6.89888737       0.18057927       1.08629843       3.48447324      -0.44062403 
Hf       8.91667404       8.97189130       2.72726822      -0.83823438       1.25406928      -1.13061001 
Hf       5.51446770       8.80209894       2.45950181      -1.72745788       0.56117059       0.25848640 
Hf       5.44000733       8.93856205       7.92252965       0.35774107      -0.26718342       0.67040637 
Hf       0.10192202      10.88896254       5.25929893      -0.08285310      -1.08488770       0.12353655 
Hf       3.55910437       3.40355075       5.21065456       1.03788339       1.05314477      -0.37030792 
Hf      10.64927528       7.18270967       0.02704209       0.97101969      -0.49473949      -5.14950627 
Hf       1.73173319       9.17700646       7.57357427       1.85061689       0.03780940       5.05127535 
Hf       7.25199694       3.42610346      10.35579601      -0.38204070       1.99718208       0.53937142 
Hf       9.03798611       5.18616590       2.63586233       0.89735287       1.35816440       0.78828951 
Hf       3.50695271       7.32646816       5.31468324       2.86098648       1.38807883      -0.55667278 
Hf       3.60558980       0.12244535      10.24770099      -1.88026525      -1.81246924      -1.07456686 
Hf       7.20804465       0.08035382       5.33176681       5.80517861      -0.06267578      -1.76234000 
Hf       5.24567769       1.78957035       2.44121154      -0.37712789      -0.95386169      -0.35702466 
Hf       5.45561919       1.80625656       7.88887845      -1.23032490       1.02361524      -1.61313439 
Hf       1.67032985       8.64195749       2.47471584       1.09168730       6.56966796      -2.16160720 
Hf       3.76822450      10.87897603       4.73898057      -2.72640070      -6.34819890       0.31621211 
Hf       3.53403321       3.88071282      10.55933605       0.02247542      -0.65981425      -0.42560817 
Hf       7.27159482       0.17355356      10.32967099       1.70176766      -3.14072234       1.00063656 
Hf       8.92251951       1.95115053       2.53448920      -0.78304140      -2.83037681       0.95556687 
Hf       5.24415645       5.51256114       7.75597652      -0.53738127       0.03585012      -1.19420911 
Hf       9.37331070       1.60593859       7.93251847      -1.43876765       0.07625836      -1.49448966 
O      10.62624587       9.41559878       1.93892379       2.95883543      -0.93791984      -2.84945107 
O       5.69003563       6.96942122       3.40567732       1.75149741       4.76359601       4.41442088 
O       0.31715275       5.26461831       4.30754680      -0.72840891       0.85833546       0.87089717 
O       0.98975934       1.63916441       4.50383467      -3.21906565      -1.68837516       1.30848505 
O       1.48459223      10.71304150       3.28683182      -0.24847742      -4.64510379       1.97701604 
O       1.55905753      10.90025982       0.79803265       1.98606177      -0.15644995      -1.01823391 
O       1.62113752       3.41203891       1.17437844      -0.66049143       0.46846439      -2.82608018 
O       0.32277187       1.97124417       9.41107146      -2.51412159      -0.20048622       0.78339165 
O       2.17715211       0.13434477       8.56143321      -0.25029313      -0.25893331       0.25608794 
O       2.10812898      10.37888733       6.06039688      -1.25248525       1.80415719      -3.10664158 
O       0.16930603       1.35540850       6.96630761       0.84066820       0.85005998      -1.19922279 
O       1.85311581       3.38398257       3.46331552       0.74404553       2.02023144       2.18840845 
O       1.55773131       7.25403849       0.69721234       0.42146683       1.18161482       2.13261724 
O       1.30087775       7.27407044       8.66897807       1.26983567      -0.40444999       0.37354586 
O      10.60320080       1.51916794       1.51405152      -0.18166150       1.33080110      -0.19865744 
O       3.41356826       5.81589597       6.58115942       0.49999007      -3.14861748       3.55249472 
O       3.51294608       2.42820030       6.96670163       4.42445860      -2.89505723      -0.83640458 
O       5.41189084       3.81277707       9.06527140       0.93766149      -0.12732568      -1.08165959 
O      10.74069017       5.12871264       1.67633562       2.60977623       1.84131931      -1.01578510 
O       1.76373534       7.58566390       6.07781303      -2.84516359      -0.19587206      -1.14418333 
O      10.82391950       9.03890499       7.05577892      -0.55967940       1.48008911      -2.63698065 
O       3.30177258       1.41611329       3.82790627       1.54570576       3.88667273       1.06639464 
O       5.37717697      10.74901158       3.08592586      -0.32997383       1.68351042       0.36992604 
O       5.56066981       0.08933490       0.46728592      -4.52041334       0.93422239       1.12110772 
O       3.33680417       1.62739515       1.56848401       3.98792812       0.07187133      -2.53571266 
O       3.68280747       1.92111455       9.32965864       0.37243392       1.40979592       1.81740912 
O       4.90137958      10.82787802       8.19432041       0.46303767       3.00308071       0.51901628 
O       0.02639651       9.18276373       9.52928731      -0.85261969      -0.64770915       1.91804310 
O       3.46142034       5.80702884       4.01225565       1.02691123      -3.13713224      -1.39863431 
O       4.92713287       3.36757015       3.72056230       0.22739145       0.21850024      -2.48421099 
O       5.44036614       3.96060397       1.00162870      -0.43627834      -1.16619416       0.11284543 
O       9.09118505       7.33796155       6.56448114      -0.87851562      -0.50095558      -1.31951703 
O       3.64013494       5.57727889       9.34338631       0.40685868       0.76879584       0.06734535 
O       5.42604676       3.73074030       6.14622467      -0.19809039      -0.08511887       0.78284920 
O      10.42368631       5.36675234       9.59958411       1.00019084      -0.26192692       0.81695839 
O       9.07501640       0.09622370       6.22468837       1.35603662      -0.40286881       0.95157224 
O       1.88087207       3.59245608       6.31761304      -4.21790853       1.73721601       0.02324770 
O       7.25978841       2.00744487       1.51252307      -2.63809529      -0.25138882      -1.43736862 
O       8.66989639      10.59285122       0.97018366       1.31639681       0.13625029       1.16974849 
O       7.32633012       9.12052039       4.27225204      -0.63675760       1.23240419      -3.80871760 
O       7.20617610       1.86619059       4.27274629      -0.39216491       1.12544952      -1.34421336 
O       3.64194981       8.62069507       6.99441696       1.65412083      -0.09568442      -0.64926802 
O       8.71578581       7.50005645       9.14119595       0.50773862      -0.48209235      -0.81425517 
O       7.00074059       1.72558764       9.18354720      -0.53392934       1.28192218       1.32839668 
O       6.97459398       9.63829537       9.20861867      -0.02546375      -1.88757302      -1.80705652 
O       5.77496227       7.18917075       9.13213642      -0.58960832      -1.32058322      -1.74205822 
O       8.57342388       6.98624547       3.62621345       2.70101982       0.07288834      -0.69382290 
O       5.62399714       7.06308538       6.15242499      -3.37014496       0.25809500       1.28338583 
O       6.88422922       8.70528054       1.15383343       1.58828695       1.22844718       1.10058197 
O       9.07562676       7.47777830       0.96399630      -1.03416037       0.94966420       2.59158459 
O       7.81826591       5.42769136       9.79648719      -1.88614433      -3.07293986      -1.55172902 
O       3.77730187       9.00345937       9.49654244      -0.38843613      -0.43421940       2.12832556 
O       9.09922204      10.93513682       9.07080550       1.34075519       1.55640827      -0.63472065 
O       7.18498391       5.40458023       6.63624570       1.78273922      -1.13931446       1.80217041 
O       5.38963000       0.02851310       5.65856806      -1.97248516       1.42537628       2.64273639 
O      10.82915088       5.61739144       6.94443323       0.61042425      -0.59109330       0.14748908 
O      10.41729293       8.91070160       4.18034659       1.03773105      -0.48332604       2.18709462 
O       1.52487427       7.05369597       3.36078181      -1.53617710       0.54089890       2.35050289 
O       3.62611247       8.91505212       3.84554255      -0.56447057       0.36183869       2.92484958 
O       3.23996485       5.39115858       1.30855830       0.99854098      -0.15436223      -0.01131619 
O       5.29101877       6.91995882       1.27218129      -0.60347835      -1.97730266      -2.60488344 
O       8.92611045       0.18548004       3.62310160       0.97356668      -0.41824644      -0.29361178 
O       8.75884618       3.38640867       8.93347244       1.49472166      -0.63930432      -0.74776863 
O       7.63936933       5.61789388       1.51134963      -4.42850263       0.15140734      -0.64090006 
O       8.89716152       3.72914379       1.00433580       1.03672751      -2.41845605      -0.58663105 
O       9.68760734       3.50224393       3.52895980      -0.76996021      -1.90642148       0.61939649 
O       7.13506213       4.81211711       3.67519783       0.29741909      -0.90398709       2.25646523 
O       3.67591855       8.56413023       1.65746351      -2.24875202       1.21568013      -1.51107514 
O       9.29126987       3.38910231       6.01345943       2.31418088      -0.21486605       1.24564997 
O       7.42547271       1.90124519       6.83772987      -1.74402464      -0.70343437       0.00304650 
O       1.87359947       3.97197487       9.18254308      -0.49996662      -1.56292173       0.10326200 
O       7.09212283       9.16021343       6.48551500       0.25051457      -0.09914236       3.14055029 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00844842412769777 -0.00408096646469303 -0.007863007028344724 -0.00408096646469303 -0.019949406098586357 0.004820411114315019 -0.007863007028344724 0.004820411114315019 -0.020441771634170137" pbc="T T T" energy=-1061.98621624 free_energy=-1061.98627318 config_type=crystal 
Hf       1.60111028       1.50834922       2.58350228       2.39639349      -0.97422369      -1.91108262 
Hf       3.66546182       7.24691950       0.20643442      -3.62572284      -0.86605589      -4.63734853 
Hf       5.37133677       5.24355529       2.76381933      -0.52352269      -0.18714559      -3.58242865 
Hf       8.76169649       5.55767192       8.12431420       4.96894681       0.09058864      -1.39145651 
Hf      10.90540673       7.21610344       5.10966578      -1.14156227      -4.21128930       3.15813978 
Hf      10.62585212      10.70408562       0.14097593       2.89640069       1.83196998       0.56513385 
Hf       7.45517673       3.58789268       5.33011889       1.28408754      -4.42695363       7.34870328 
Hf       7.05776317       7.22489103       4.86447813       4.62875781       1.89228325       7.33730647 
Hf       1.70897988       5.18891707       2.65350094      -0.88485902      -0.24226036      -1.68168679 
Hf       0.26796272       3.35535016       5.16266952      -3.83946682       0.62143184      -2.65041496 
Hf      10.74073388       3.45604062       0.03706417       0.87350449       3.65058564      -0.16473271 
Hf       1.67834745       5.53533746       7.99772834      -1.13023547       1.91384439      -3.40179856 
Hf       9.01031202       8.93353073       7.82165258      -0.76412878       2.23598320      -3.69558539 
Hf       1.90104951       2.16974749       7.98495919       0.62290434      -0.96911278       0.35139882 
Hf       7.12243337       6.97975470       0.13953794       1.62832490       0.55850897      -1.14005295 
Hf       8.86695637       8.98259104       2.63172573       2.89937194       1.73594112       0.07318420 
Hf       5.48062714       8.80029514       2.43900538      -1.94039529       2.84510754       0.58501862 
Hf       5.40159713       9.01133520       7.92769258      -0.84446863      -1.40456781      -0.16928322 
Hf       0.07915513      10.83070083       5.33739508      -2.19979764      -5.21399172      -1.33807416 
Hf       3.58242947       3.44777256       5.14035680       0.00346922       1.47315062      -1.09869172 
Hf      10.66245973       7.27623589      10.57625221       1.39018081      -2.66338202      -1.53113249 
Hf       1.75429926       9.20531414       7.65638619       0.85206286      -1.40237150       0.48451105 
Hf       7.18809629       3.43411361      10.36810769      -0.18473334       3.26214634       1.78283894 
Hf       9.03955983       5.15160455       2.74597101       1.06843187       1.29245352      -4.51223257 
Hf       3.55301283       7.35352302       5.26779288      -1.19811522      -1.10689421       1.02075034 
Hf       3.59709638       0.08404172      10.22406837      -3.52412136       0.56541701      -0.61168206 
Hf       7.19712327       0.04502259       5.30660924       3.37412906      -0.34130752      -0.02477440 
Hf       5.24956652       1.80477410       2.46726258      -1.82165689      -1.04561143      -3.02124790 
Hf       5.43994324       1.79286613       7.86812267      -1.63239135       1.30208172      -1.27526043 
Hf       1.74340944       8.65457146       2.43189043      -3.23085991       4.45034321      -0.60440968 
Hf       3.69378012      10.84076140       4.75581489      -1.17676894       2.11814039      -0.50758419 
Hf       3.57054539       3.89791407      10.51178860      -1.05887730      -0.30520700       0.39814303 
Hf       7.29587090       0.15915409      10.39667440      -1.49729714      -3.13262902       0.51421840 
Hf       9.00094497       1.93781456       2.56465557      -2.96435197      -5.60517323      -2.38591118 
Hf       5.28483246       5.44275082       7.77427732       0.51259702       0.22964488      -0.02905970 
Hf       9.34418757       1.57126931       7.94652101      -2.71030576       1.55711053       0.32423501 
O      10.65851469       9.47561169       1.87718769       1.13492093      -1.50922200      -0.43401815 
O       5.65584798       7.16476746       3.66109698      -2.55792615      -0.73254788      -3.58800311 
O       0.47946688       5.23324866       4.28880798      -3.28639783       1.05567490       0.39998594 
O       0.79102408       1.41538997       4.59306024       0.03282023       5.10845512      -3.18762453 
O       1.72628795      10.55504393       3.30648633       0.32586342       0.23788753      -0.54491196 
O       1.70142922      10.80600721       0.85345024       0.43169153       0.63728702      -1.63904785 
O       1.59838749       3.60117081       0.92579005       1.20822531      -0.80876647       0.52155206 
O       0.04538140       1.82339569       9.64242557      -0.32119056      -1.95199639      -3.20343677 
O       2.02142046       0.22116034       8.38280436      -0.11311777      -0.73046733       0.81549402 
O       2.04351159      10.49125503       5.66981801      -0.13681199      -0.86908667       3.64746217 
O      10.81788735       1.25012299       6.84250771       4.11009485       2.29170171       0.84455723 
O       1.88485896       3.50163829       3.71089246       0.15263614      -1.36476182      -1.45339919 
O       1.51602576       7.22072545       0.76725862       0.90717594       1.22943134       1.10753937 
O       1.32593785       7.35082116       8.54963523       0.26440523       1.04760599       0.81345504 
O      10.71893111       1.64587463       1.34260384      -0.47251701       0.75915776       3.31689795 
O       3.63356134       5.75702346       6.80702333      -3.23614013      -1.15620554      -1.07982661 
O       3.62461347       2.41848332       6.83749518      -1.01184874      -1.58525282       0.84167072 
O       5.34628795       3.71353379       8.97517830       1.52423805       1.37943864      -0.93305762 
O      10.92484070       5.21904475       1.46406631      -1.83176028       1.33884347       2.96212387 
O       1.59203707       7.61519678       5.93680531       3.74320886      -0.36229564       0.90842649 
O       0.01448624       9.12775541       6.76175846      -1.63668247       0.93278460       1.97446228 
O       3.41938239       1.75139110       3.84945869       0.99821737      -1.97950504       1.91770439 
O       5.26317453      10.78563924       3.16297591       1.01078161       0.85209782      -0.64121791 
O       5.28356957       0.12155879       0.41378049       2.46645237      -0.10891314       0.98067741 
O       3.45920953       1.84103189       1.34923399       0.77688699      -0.57755160       0.78397607 
O       3.68818686       2.22254073       9.40622570      -1.71133441      -3.30602911      -0.52569861 
O       4.62389106       0.01157775       8.37191325       1.34077079       0.06681508      -0.09454503 
O       0.04926015       9.06665544       9.85184249      -0.55751770       0.70253516      -2.15351953 
O       3.58716247       5.48390506       4.11327132       0.90834171       0.46940379       0.07058351 
O       4.89318669       3.49589636       3.40070306       0.84549915      -0.04894885       1.64242612 
O       5.36607843       3.78821569       0.97030185      -0.00283200       0.48075129      -0.04117358 
O       8.84947060       7.43684219       6.55891983       1.42287935      -1.42139706      -2.50448388 
O       3.44160302       5.71529918       9.16409347       1.49594373      -0.45716209       3.18886260 
O       5.58064578       3.59099071       6.10755095      -0.69361011       0.31969139      -0.18170675 
O      10.37093799       5.51265350       9.65815394       0.82237826      -0.81457261      -0.19805480 
O       9.20215684      10.75682080       6.10598253      -4.57542161       0.07044440       1.87716153 
O       1.64450294       3.80215775       6.22464618       4.82423093      -0.13245966       4.44694244 
O       7.06627949       1.96584538       1.38009285       1.54578484      -0.92682042       0.54694032 
O       8.85054374      10.75307395       1.01459130      -2.38145451       0.39028927       0.40628436 
O       7.19368122       9.17107587       4.01597176      -0.32550695      -0.83175323      -1.17088547 
O       7.42296609       1.92383942       4.17751098      -1.33821984      -0.51266632      -0.10563344 
O       3.61219145       8.62549172       7.02364044       0.28309122       0.19700861      -1.69194175 
O       8.79806877       7.43811758       8.94233373      -0.33682295      -0.71011074       3.35286654 
O       6.93439981       1.81485165       9.38846146      -0.42885325      -2.29740458      -0.28391270 
O       6.91067000       9.67942594       8.84167923       2.02771473       1.28783552       3.45516524 
O       5.79540354       6.97985538       9.05741062      -0.59384176       1.95481355      -0.92357202 
O       8.87053493       6.95096058       3.65442069      -0.58723395       0.30059492       0.23385314 
O       5.42934090       6.95003107       6.07497179       1.02649194       1.05642562      -0.12663967 
O       6.84211458       8.96331187       1.01555301       0.28179656       0.10017562       1.24101579 
O       9.02211897       7.56772958       0.97491165      -1.45581329       0.07747811       1.57683894 
O       7.55144349       5.37844173       9.71378517      -0.73518561      -1.46710482      -0.08197081 
O       3.68393846       8.91386065       9.61031143       0.41948700       0.80620175       0.23735390 
O       9.00880896      10.87695367       9.04161370       1.10537818       0.67395716       0.52173051 
O       7.29836219       5.42317344       6.81949391      -1.07182300      -1.37183155      -0.83719033 
O       5.26077287       0.36383507       5.85894395       1.37497423       0.03993468       0.79008506 
O      10.79964506       5.49653865       6.96537981      -0.19492080       0.79390466       0.65335802 
O      10.50338365       8.82416005       4.32561440      -1.29357391       3.23078498      -2.59270499 
O       1.60981318       7.12414042       3.55146809       0.60805878      -0.13013655      -0.12179527 
O       3.76114550       9.11934339       3.98475375       0.43523572      -5.16295387       0.41246202 
O       3.28137393       5.46756704       1.30635895       1.34733987      -0.22857120       1.29004173 
O       5.34471829       6.76475788       1.00791650       0.12017845       1.16347156       2.25737903 
O       9.06616855       0.12040951       3.67595876       0.11052615       0.21778206      -1.41081748 
O       8.87177833       3.42073316       8.96179809       0.47371112      -0.80399703      -0.92770801 
O       7.24494807       5.55400900       1.60066543       0.97538215       0.06175092       1.83167346 
O       8.94651512       3.76479100       0.92889828      -0.95375322      -1.46402236       1.50049373 
O       9.57192359       3.41653230       3.49042340       1.54725120       1.27680803       1.63092224 
O       7.30920556       4.67189028       3.92937294      -1.48138333       5.35299773      -4.34022229 
O       3.44477862       8.65202332       1.57791555       4.12568193       0.58631614       0.30804213 
O       9.46257252       3.51697910       5.98822661      -3.04705200      -0.78242853       1.07005170 
O       7.30948779       1.69609748       7.03740106       1.07706280      -0.96253647      -1.65109143 
O       1.77314873       3.89042849       9.04590824      -0.95424553      -1.77495720       0.49057381 
O       7.11798260       9.00500636       6.56631474      -1.79380996       1.25714691      -0.82360171 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016093358369644237 -0.006657371273258315 -0.002476194614560687 -0.006657371273258315 -0.03457183077752223 -0.0025235730926975713 -0.002476194614560687 -0.0025235730926975713 -0.017864381796876112" pbc="T T T" energy=-1055.87162592 free_energy=-1055.87163655 config_type=crystal 
Hf       1.51848462       1.67264102       2.46429900       3.74746518       3.81367629       4.08283481 
Hf       3.61289274       6.98701590      10.25498600      -0.61081437       2.62330981      -1.95738215 
Hf       5.38717301       5.06369163       2.22236170      -3.48899895       0.98210458      -0.33336774 
Hf       9.24782594       5.64439798       8.09399966       1.02750032      -3.94853164      -2.87550910 
Hf       0.11472433       7.40462421       5.23948052      -3.02895677      -5.03206100      -0.71685700 
Hf      10.80666117       0.08726629       0.17267980      -3.24183908      -4.27530216      -1.10794296 
Hf       7.33330208       3.69760157       5.57611168       1.16463015      -2.67694852       1.62626653 
Hf       7.13224370       6.88496492       4.79902719       1.88618738       2.49501120       0.46726019 
Hf       1.82606095       5.41064426       2.03185218       0.58653645      -1.14639961       1.45431147 
Hf      10.65120879       3.78231863       4.78131173       5.60034940      -1.65457029       5.85531196 
Hf      10.77597177       3.35067403      10.46027196       1.44365953       3.62143519       0.63811387 
Hf       1.64087672       5.31535424       7.68081663       0.15190284      -1.50293573       2.85375220 
Hf       8.83189038       9.27121535       7.71135321       1.02163818       0.03322302       3.43385031 
Hf       1.92845277       1.52137985       8.25551486      -2.21603479      -1.41735806      -2.60059245 
Hf       7.00853819       7.04167461      10.29584516      -1.14788959       3.48116903       1.06098924 
Hf       9.03336147       9.01819453       2.54132726       0.08915998       0.72525306      -1.31712863 
Hf       5.44705423       9.00093598       2.43589927      -1.08727769       0.97762820      -1.11065456 
Hf       5.49228772       9.38208394       8.16261878      -0.11539177      -0.21873297      -0.52580730 
Hf      10.89834383      10.76466496       5.59360032       1.30205650       3.72781126      -3.06150729 
Hf       3.16607847       3.59643146       5.29541478       0.67719520      -4.63164248      -3.30367052 
Hf      10.80385797       7.20912162      10.46933903       5.82270395      -1.54960463      -2.23838495 
Hf       1.49908724       9.06627198       8.23491139       1.56770888      -1.54420042      -3.80639883 
Hf       7.37662583       3.67152290      10.39132206       0.38159973      -2.03299438       0.21946314 
Hf       9.13452687       5.63848623       2.29377742      -0.34975958      -5.48235592      -2.08426568 
Hf       3.73094200       7.08678463       5.03880776      -0.82409673       1.96148582      -0.92380708 
Hf       3.25272410      10.76846166       0.20840174       2.05852845      -1.99157866       1.06189361 
Hf       7.27500882      10.88085948       5.24462464      -1.69918015      -1.23948748      -0.44141511 
Hf       5.68163643       1.72180322       2.46551995      -2.68646580       1.35234723       1.80065091 
Hf       5.23224301       1.96454260       7.73365519       2.43537734      -2.44969211      -0.34177414 
Hf       1.72430765       9.05332166       3.04627544       0.53265002       0.06299810      -2.54401056 
Hf       3.47104497      10.52901926       5.51346861       2.55051947       1.04704116      -1.78562975 
Hf       3.49362036       3.55259464      10.10277596      -0.15347536       0.00166425       0.95589848 
Hf       7.21243428      10.71710782       0.01855462       1.51343196       0.22244163      -0.32433846 
Hf       9.14474236       1.90128200       2.90939752       1.55007358      -4.27039174      -1.36477486 
Hf       5.32170072       5.33894239       7.47632072       1.43141759       0.60295144       5.01623712 
Hf       9.06617940       1.67558095       8.03202727       0.30507264       1.46051128       1.31088185 
O       0.05956098       9.24693226       1.61343990      -0.75692110      -1.62302895       0.76010592 
O       5.57193762       7.25064530       3.59701984       0.37259470      -1.13808682       0.20872101 
O      10.45909172       5.47480622       3.97252051       1.47947034       1.22013118       0.36944000 
O       0.08217493       1.54794421       4.18657465       0.08074741       2.32762779      -1.49800824 
O       1.74926739      10.55985909       4.33113362      -0.45674679       1.63503662       0.09033402 
O       1.41472242       0.11266405       1.34325646       3.50242203      -0.27350315      -0.17158087 
O       1.79147111       3.47136916       0.84002634      -0.30004689       0.23646657       0.44889103 
O       0.56943700       1.59699115       9.68802218      -3.58698754       0.71326766       1.88649924 
O       1.73367065      10.51729108       9.43453860       0.48093189       3.29461875       2.07137028 
O       2.17078043      10.81834345       6.89301885      -0.88231912       0.11110446       1.67049135 
O      10.92803985       1.45037171       7.03359641       0.18421044      -0.78608835       0.65867217 
O       1.94632233       3.63941382       3.39366613      -1.04371476       0.29049076       1.22992734 
O       1.72647332       7.01282286       0.81734757       1.69196069       0.42174568      -1.13264767 
O       1.67559530       7.12417066       8.56236059       1.75778257      -0.22402508       1.11741489 
O      10.69821222       1.94717756       1.59952154      -0.54727133      -0.74748921      -1.53376874 
O       3.00375952       5.37246337       6.14449310       2.08627762       2.67590237       0.01869158 
O       3.31243923       2.42650793       7.11811450       1.94011838       0.38817622       0.55062744 
O       5.45902048       3.29897847       9.20135683      -0.73498937       1.24547836      -0.75540482 
O      10.79226674       5.29329838       1.30943126       2.86021221      -0.45644992       0.23286248 
O       1.67243603       7.94655530       6.01070492       4.31834313       0.63105998       1.50575139 
O      10.84078046       9.69484794       7.14043635      -0.24393249      -0.77596031       1.11494965 
O       3.71719967       1.42017490       4.67894096      -0.59850134       0.96685848       0.81378432 
O       5.71260411      10.84522728       3.23510993       0.90166745      -0.87261620       1.22642020 
O       5.33441691      10.46565436       0.77634025       1.08154680       1.05208185       0.59734932 
O       3.60931703       1.88283867       1.99205667       0.07657212      -1.85132866      -1.43994477 
O       3.51830138       1.47504561       9.62259664       0.29894788       0.85427676      -0.41207468 
O       5.99684362       0.13640483       9.16709095      -1.80903883       1.55484665      -3.03051045 
O       0.05840140       8.83541350       9.45604585      -0.71134479       1.98973432       2.09347552 
O       3.60048102       5.73187594       3.29316298      -0.01084170       0.09411179       0.61067818 
O       5.48926879       3.63106688       3.39699896       0.33596190      -1.59027701       2.10477503 
O       5.63809181       3.41805354       0.95811464       0.41041301      -0.44105200      -0.38724394 
O       9.36625449       8.05195378       6.28773089      -0.82230135      -2.32061601      -1.84712040 
O       3.65371173       5.46101053       8.73915019      -0.14877652      -1.62671215       0.39374854 
O       5.40187837       3.70292378       6.46319803      -1.06044981      -0.79915694      -1.11995200 
O       0.17852879       5.23621773       9.30896334      -1.08304495       1.58100952       0.87221133 
O       8.47834026       0.27423821       6.82038154       1.25717810      -1.84853136      -1.90390562 
O       1.45935662       3.50665000       6.05473906      -2.41667780       0.82477863       0.48894524 
O       7.66898406       1.53840175       1.76876317      -3.74896463       0.03649350       1.11151750 
O       8.98277335      10.59708604       1.10843102       1.10794981      -0.29708386       1.54353013 
O       7.42307488       8.94276685       3.93612278      -0.39837638       0.66062484       0.42816778 
O       6.52716365       1.77574596       4.91083067       2.58140599       0.30810408      -1.45485946 
O       4.21889550       8.70275409       6.63293987      -0.23719607      -0.85722963      -0.70773001 
O       9.41133909       7.30779487       8.89979594      -2.31132423       1.00128688       0.11376203 
O       7.87216549       1.74155952       9.98094881      -0.09474948       1.33370630      -0.71339957 
O       7.29345193       9.01843907       9.43979198      -0.00400179      -1.50047843      -2.18470216 
O       5.30273884       7.37928474       8.94080496       2.19308144      -2.37658579      -0.76435475 
O       8.97823263       7.10891454       3.30535327      -1.43970854       5.52520975       3.13456366 
O       5.47579302       6.21990559       5.85274204      -0.97163271       2.67193075      -2.75151061 
O       7.41160001       8.51449977       1.05634520      -0.53970424       1.87904151       3.95474493 
O       9.29122134       7.10127383       0.78611212      -5.19173485      -0.43387869       2.76080586 
O       7.32545276       5.38741305       9.04640025      -0.61814710      -0.01752877       4.59895948 
O       3.76171411       9.07100278       9.56282010      -1.21770018       1.12793596      -0.00057825 
O       9.27166499      10.81549412       9.26673018       0.55780239       0.57585245      -1.35470924 
O       7.44955641       5.40531625       6.96128934       0.07855354       0.38419393      -3.74176933 
O       5.33896814       0.04365604       6.66095270      -0.83261699       0.94578674      -0.12607094 
O       0.10836602       5.93698727       6.76430442      -2.95049653      -0.80619488      -0.76142120 
O       0.08926204       9.00059799       4.29288729      -3.53489845       3.49104455      -1.53116861 
O       1.42712407       7.13623201       3.49895286       1.04406614      -1.14396933      -0.14361920 
O       3.67071325       9.03197203       4.04859811       0.50833577      -2.17350941       0.79443922 
O       3.72655007       5.24558106       0.61893889       0.05624680      -0.97028136       2.11909875 
O       5.12932168       7.47938982       0.81735426       0.77661061      -1.15792490       0.52837419 
O       9.18167701      10.92331223       4.23268825      -1.70111291       0.28758628      -0.65329418 
O       9.35783185       3.76167029       8.97837603      -1.12435627      -1.82612110       0.56886900 
O       7.08889716       5.46866187       1.40242247       2.55185477       1.33310309      -1.87248595 
O       9.08486256       3.61390738       0.99880681      -1.88295958       0.73033911      -0.09927693 
O       9.11535037       3.52542716       3.81733924      -3.84017582      -1.29040125      -2.27781096 
O       7.67665819       5.09903218       4.20864332      -1.86348956       2.59175216      -0.76684846 
O       3.45139045       9.45258996       1.74996472      -1.41631452      -0.74844499      -0.10136105 
O       9.28938796       3.51345499       6.39741547      -0.17842123       0.64746300      -1.68813172 
O       7.27084904       2.26872619       7.34021308      -1.32520306       1.20198023       0.13944828 
O       1.69918324       3.46917621       9.06039259       2.09361296       1.08786018      -2.13484817 
O       7.14015371       9.27748087       6.76743169      -2.06300917      -1.25412413      -0.92048236 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0008029871072251762 -0.003561629433308481 -0.003444167633181831 -0.003561629433308481 0.004536991581096975 -0.0024420182014929077 -0.003444167633181831 -0.0024420182014929077 0.024137723443180582" pbc="T T T" energy=-1062.94850298 free_energy=-1062.9485154 config_type=crystal 
Hf       1.70911058       1.71375549       2.36498534       0.57781524      -0.71193322       1.32663428 
Hf       3.45556710       7.21168544      10.55488643       0.44809761       1.05713167       0.08106526 
Hf       5.45635576       5.55851630       2.51574028       1.05619953      -3.92658958      -3.90456076 
Hf       8.88534273       5.31594444       7.91552865      -0.15624705       2.06942690       0.30664587 
Hf      10.86060370       7.11382579       5.42899123      -0.80441532       2.64807870       1.08389741 
Hf       0.13582044      10.91042797      10.53636678      -0.02910381      -1.55157388       1.19877371 
Hf       7.42639959       3.59313118       5.27181436      -3.79534919       1.19276668      -5.05804263 
Hf       7.09811127       7.28876572       5.34225710      -0.37814273      -0.20413051       2.59223911 
Hf       1.78922589       5.29549473       2.62961109       0.17463136       0.20502292      -0.02216152 
Hf       0.04377590       3.46827058       5.36488667      -0.02075542      -0.03260945      -2.10197079 
Hf      10.85504988       3.67856914       0.05771813      -1.57453116       1.52227665       1.37419161 
Hf       1.83472945       5.32133150       7.54979486      -0.11007055       1.04639741       0.93218395 
Hf       8.61345283       9.27306297       7.80476639       4.37114457      -2.72796598       1.72613514 
Hf       1.54945186       1.66757869       7.99158648       2.79555010       0.89569204      -1.09652959 
Hf       7.26426153       7.14843240      10.42166445       1.67892306       0.89849292       0.07889870 
Hf       9.14322276       8.97568503       2.26314539       0.65110517      -0.42327890      -0.55717934 
Hf       5.46090985       8.82355385       2.40849771      -1.82075888       0.16622934       0.27690549 
Hf       5.26581077       9.06091811       7.87924921      -0.30978869       0.64946508       1.49955245 
Hf      10.66382386      10.91212867       5.20464737       3.97024482      -0.46549991      -0.95248863 
Hf       3.59100955       3.46764313       5.24900718      -0.54620011       0.80917110      -2.17373698 
Hf       0.07240590       7.21938783      10.23502081      -1.66953168      -1.92080931       2.76757542 
Hf       1.79277487       9.14324204       8.08299705      -0.83132758      -1.00414872      -2.85660857 
Hf       7.22320370       3.54371480      10.35636243       0.42689116       1.13918585       1.85381504 
Hf       9.07398665       5.73367283       2.81043409       1.53911921      -1.51526226      -2.93012435 
Hf       3.56368113       7.34732959       5.06120423      -1.68332866      -0.83059224       0.68518576 
Hf       3.67557169       0.02378098       0.02953353       0.32623817      -0.30925837      -3.03759873 
Hf       7.22785562      10.65360574       4.68037854      -1.36642288       0.75213038       2.25653518 
Hf       5.31215300       1.97519611       2.67606301       0.54984217      -0.37509709      -0.31635057 
Hf       5.42123499       1.81907891       7.56948019      -1.35421028      -2.78812714       0.42203443 
Hf       1.54583583       9.04727066       2.83445839       1.53591095       0.79147256      -1.31794201 
Hf       3.52054045      10.85002601       5.50509498      -0.24198617       0.12281480      -1.33665598 
Hf       3.50713195       3.55338501      10.47858700      -0.26772061      -1.71340713       1.04597056 
Hf       7.34394013      10.80048922       0.11201308      -0.17639699       0.26395570      -1.36048776 
Hf       8.92645677       1.63139913       2.46394495       0.67929411       2.77473227       0.14820264 
Hf       5.27239116       5.35486223       8.09768122       3.24094202       2.65261090      -2.80935915 
Hf       9.01200286       1.77870178       7.84405458       0.75187353      -0.06811253       0.19851109 
O       0.00112299       9.13594096       1.32825649       1.17620169       0.42343938       1.68843244 
O       4.77958042       6.80983174       3.60391083       0.86841570       2.99599101       2.30050234 
O       0.25927297       5.43231370       3.99354021      -3.23282504      -0.57658387       2.96892424 
O      10.32809882       1.60744383       4.05887976       0.22368387       2.57458923       0.01696592 
O       1.34291023       0.05981505       3.67684575       1.87014496      -0.28941297      -0.57047977 
O       2.01559592       0.13715170       1.07128426      -4.37028788      -3.20561244      -0.31560113 
O       1.80380822       3.44640394       1.13135076      -1.61970277       0.92326847      -1.43911070 
O       0.00797301       2.13160626       9.20509686      -0.49694348      -1.55659109       1.39017329 
O       1.89451251       0.04076947       9.15911410      -1.73201454      -0.12614454      -0.45922058 
O       1.39135930      10.61607093       6.53225316       1.32892193       0.85525141       0.60635359 
O      10.81688740       1.77694553       6.63977825       2.06095725       1.17152114       0.53049141 
O       1.86258913       3.23771438       3.81608289      -1.70672168      -1.99047382      -0.24484263 
O       1.71708984       6.96786371       0.73768162       0.14152075       0.00870902      -0.25184446 
O       1.92356157       6.95718490       8.79344802       0.13318063      -0.18651581       0.39418405 
O       0.00608222       1.58835925       1.30059920      -1.10017190       1.07948938      -0.22214754 
O       4.02162363       5.03348692       6.59555438      -1.95961666      -0.51426767       1.07841039 
O       3.35343582       1.48984038       6.71977391      -0.36527182       1.66109436       0.84211438 
O       5.64983927       3.48534649       8.63250253       0.60468754      -0.50074285      -0.21457528 
O       0.09188030       5.57305524       1.46675810      -2.24368590      -2.88144811       0.28657034 
O       1.75904047       6.93463164       6.20859575       1.35811561      -0.22283722      -0.57385650 
O      10.76607686       8.46627299       7.08027547       0.65390711       0.13682436       0.12806179 
O       4.06404373       1.43020993       4.15152818      -1.06564159      -0.21247878      -1.02996635 
O       6.17817923      10.70248342       3.05795682      -0.23701014       1.60050162       0.11246745 
O       5.10977629      10.05037211       0.97401371       2.56509752       2.90672484      -2.48438613 
O       3.51075182       1.62176332       1.36358144       3.98328812       2.24922709       2.55296969 
O       3.56363851       1.79946011       9.52619246      -0.20875264       0.75677643      -0.50388403 
O       4.96339361      10.89007271       8.92840241       1.24824511       0.31690146      -1.35251070 
O       0.52679231       8.95160813       9.55662478      -0.45301163       3.04965545       0.58650953 
O       2.90763607       5.16428491       4.32504224       2.07774526       1.31889887       1.66741579 
O       5.12971906       3.89227731       3.53224225       0.41944412      -1.91565849      -1.12483781 
O       5.40125059       3.34076444       0.56346210      -0.16562542       0.88697460       1.82883216 
O       8.77435889       7.23258445       6.51034477      -0.73226513      -2.07063542      -1.66251197 
O       4.04808292       5.19821433       9.52512010      -1.88251645       2.15041520       1.92354577 
O       5.46619820       2.85244281       5.62207584       1.07656368       0.10649762       4.06410423 
O      10.67375942       5.41297515       9.47889979      -0.43427527      -2.21937972      -0.80358571 
O       9.35332279      10.86580922       6.54953198      -2.81145323      -0.57157478       3.08113503 
O       1.81990193       3.68227183       6.38722991      -1.88193885      -1.80625784      -1.52787088 
O       7.05567046       1.62480175       1.41589409       0.44879865      -1.04715007       2.19695380 
O       9.24654014      10.89448896       1.18931676      -2.23671641       0.78791226       1.05144445 
O       6.98309529       8.64228026       3.88343376       0.53648334      -0.66581081       0.37374303 
O       7.16952730       1.79998425       4.25035704       1.16527547      -1.71251647      -1.64572924 
O       3.58048467       9.12319574       6.64331845      -1.18013694      -0.39251926      -1.11948840 
O       8.97032229       7.52662563       8.98923420      -0.26631621      -1.08516667       0.55271808 
O       7.22996750       1.74560589       9.74853180       1.22029426      -3.63947344      -1.73774035 
O       6.95686038       9.19761503       9.15569146       0.94885757       1.26130523       0.48609875 
O       5.47949955       7.33198856       8.99274134       0.18393038      -1.53049913       0.99580156 
O       9.50025360       7.64314630       3.73147392      -1.35178316      -2.92822071      -0.40714336 
O       5.18849537       7.19834213       6.52688700       2.08367483       0.68953896      -2.09615005 
O       7.47183117       8.92405740       1.16887931      -0.69520008       0.71827597       0.03051589 
O       9.26561574       7.20004688       0.94412156      -0.40424737       1.20491538       0.82290887 
O       7.34046018       5.50469835       9.21335516      -1.38309214      -0.59681265       1.00382614 
O       3.51930538       8.88552723       9.16280864      -0.06778699      -0.22411187       1.50480314 
O       9.18964246      10.39904265       9.49529056       0.22980489       2.17159961      -0.91901592 
O       7.00631872       4.89655117       6.68845822       0.85649403       1.73461885       1.82874403 
O       5.38042499       0.05817976       6.17641518       0.29776969      -1.16149759      -0.84055033 
O      10.65562340       5.21907367       6.85713152       1.35256973      -0.60230307      -1.51618987 
O       0.25273279       8.99229959       4.51435621       1.46148925      -0.49327031      -0.65511338 
O       2.08219098       7.23754226       3.57281059      -0.81829825       1.86240821      -0.74790885 
O       4.04868473       9.22684848       3.78341795      -2.33151343       0.46854805       3.42820335 
O       3.53331844       5.26092143       1.62902116       2.55447467       0.52692964      -1.11644268 
O       5.59746203       7.13735763       1.16842184      -0.28216823      -0.08333731      -1.53772475 
O       9.13470294      10.47956848       3.94220023      -2.59603463      -0.76387081      -2.23171313 
O       8.85478875       3.53484285       8.99811324       0.73116955       0.09809157      -1.75794224 
O       7.62721069       5.44380282       1.20481628      -2.27695361       0.59615415       1.41197852 
O       8.96571737       3.46794081       1.07857905       2.21484998      -2.10313563      -1.64645035 
O       8.86559914       3.81146169       3.49080413       0.21475726      -0.36491889       1.40360147 
O       7.36710890       5.65090365       4.25353650      -0.01683451       0.10805683      -1.63607149 
O       3.34116455       8.65686105       1.40774483      -0.51549201      -0.55839908       0.06312409 
O       8.93253450       3.18403721       6.23183531       3.63899622      -0.23656999       2.52287636 
O       7.29746204       1.23635896       7.21600759      -0.38262897       0.66281833      -0.49376372 
O       2.15540795       3.70901280       8.76416193      -1.13182107      -0.32114429       1.06589620 
O       7.27573914       9.19538077       6.45697231      -3.07611662       0.25132262      -1.98287781 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.000689272503207906 -0.002981636842019759 0.0008070691915067047 -0.002981636842019759 0.0029186573810227453 0.0005387048586247852 0.0008070691915067047 0.0005387048586247852 0.01731192487763956" pbc="T T T" energy=-1061.18399912 free_energy=-1061.18400589 config_type=crystal 
Hf       1.74775765       1.68989661       2.39329473      -0.65434693      -1.49620219      -0.80457272 
Hf       3.51953995       7.26688275      10.54379570       0.10733221       0.40805518      -0.12945364 
Hf       5.46186828       5.52832167       2.48062504       2.06730589       0.22179668      -3.27487899 
Hf       8.91477099       5.33343733       7.92764411       0.76997394       0.77701584       1.18229440 
Hf      10.86647546       7.10801253       5.43804650      -1.07128941       1.58815712      -0.06356622 
Hf       0.16643928       0.02514939      10.51824306      -1.16770922      -1.14871527       0.50797067 
Hf       7.40563721       3.63130550       5.29516457      -1.35476448      -0.19897123      -3.51009033 
Hf       7.09447289       7.32501890       5.36473021       0.98160221      -2.16651159       1.48690889 
Hf       1.75736103       5.28649120       2.59940688       0.22114112       0.39980110       0.41887295 
Hf       0.07055478       3.44653465       5.34493784      -0.46328700       0.39914181      -1.40128990 
Hf      10.85517916       3.65265097       0.08091284      -3.25435973       1.22161758      -0.13349009 
Hf       1.78337002       5.36934310       7.51920970       0.09636944      -2.64393794       0.75218732 
Hf       8.59343063       9.27026076       7.79261883       4.90630777      -2.13676923       2.19268757 
Hf       1.53595571       1.67571976       8.01879672       1.93660677       3.07918237      -0.93846828 
Hf       7.24724215       7.12565082      10.40542781       1.77781010       0.07445022       0.53821477 
Hf       9.13468968       8.96351653       2.27437514       1.13148253      -0.07639306      -1.30775860 
Hf       5.41186674       8.79338552       2.41757158      -2.35928933       2.41109124      -1.38549780 
Hf       5.26847296       9.12491485       7.90562784      -0.56377389       0.49113234       2.14417347 
Hf      10.70388885      10.88551874       5.25048153       2.32480425       0.08324783      -1.50775740 
Hf       3.57657754       3.45913985       5.22941868      -1.48685457       1.18344562      -0.58883145 
Hf       0.06023948       7.25239793      10.23768826      -1.53968635      -2.74964014       1.61756182 
Hf       1.78513449       9.12630133       7.98932675      -0.28129891      -0.54385674      -2.26185518 
Hf       7.18611501       3.50420254      10.35130377       3.03309270      -0.11478809       0.87600850 
Hf       9.09648731       5.70296218       2.82424424       2.08466409      -1.80668972      -3.69372424 
Hf       3.54511903       7.40651905       5.07666433      -2.35346364      -0.73856168       1.23768057 
Hf       3.65518641       0.00040055       0.04967878       0.74758709      -0.16645331      -2.19008499 
Hf       7.23537505      10.64559012       4.67365708      -0.85602336       2.06812816       0.27845834 
Hf       5.28625159       1.97214102       2.70414122       3.09922444      -1.00963330      -1.28331136 
Hf       5.47185741       1.80506542       7.54982834      -1.08515451      -1.08290311       2.03264266 
Hf       1.50740372       9.02820404       2.89386004       1.79841934       1.42738889      -2.31662946 
Hf       3.54730739      10.84731517       5.48509354      -0.87003061       1.50547765      -0.45979070 
Hf       3.50014783       3.53214757      10.53610095      -0.53377367      -0.10781921      -0.67409456 
Hf       7.39780367      10.78864206       0.06935252      -0.65207160       2.08344687      -0.74687020 
Hf       8.92523276       1.65482963       2.48689051      -0.04954244       3.20478623      -1.22194346 
Hf       5.29081499       5.36207073       8.08836660       0.98590103       1.47482193      -1.70762603 
Hf       9.04365540       1.75654732       7.84931784       1.84039706       0.42003342       2.59520614 
O       0.07916674       9.12531255       1.23047862      -0.95956948       0.32069099       2.25489692 
O       4.60705486       6.71854843       3.70951569       4.33090480       1.18709598      -1.33809199 
O       0.20963331       5.38572440       4.06670344      -1.86125714      -0.71150646       1.36967858 
O      10.24869927       1.61644714       3.99063722       1.59598709       1.42956975       1.83237142 
O       1.44129248       0.09047826       3.68748060       0.82269572      -0.53901426       0.36630640 
O       1.92449678       0.16810065       1.06129258      -1.10152671      -2.81772744      -0.97768067 
O       1.61640781       3.44109795       1.06189609       2.39050970       0.18108722       0.12612197 
O      10.82926362       2.06683242       9.24345957       0.40246930      -2.28621972       0.90607241 
O       1.78036424       0.09735940       9.16471197      -0.28828950      -1.71048713      -0.46603264 
O       1.41555705      10.55216020       6.47292187       1.81534919       1.04124440       0.56514436 
O      10.80582249       1.78128761       6.67054548       2.75657710       0.57087503      -0.51818677 
O       1.76434065       3.14271480       3.71841450      -0.89088150      -0.06772301       1.64275278 
O       1.70899916       7.12812392       0.68489088       0.62405590      -1.04435491       0.62161227 
O       1.84393512       6.78593944       8.80940342       0.83760511       2.15408592       0.91356153 
O      10.94689359       1.50528384       1.20496573      -0.56488368       2.38195534       1.80498477 
O       3.87883069       4.86123680       6.65898081      -0.07457366       1.05221780       1.82161101 
O       3.41129522       1.63721786       6.93231862      -1.03617953      -0.90370149      -1.81245980 
O       5.56253124       3.50284684       8.68158077       1.03158126      -0.60784112      -0.95857954 
O       0.05640258       5.42513905       1.47629040      -0.34912982      -1.77194369       0.67247345 
O       1.83984743       6.84942957       6.15321781       0.30279155       0.56702167      -0.17146156 
O      10.79481993       8.48868667       6.92880775       0.91984696       0.38378689       0.79458774 
O       4.07867295       1.24605656       4.02209725      -1.70284669       0.38433016       1.10893909 
O       6.07697219      10.67010165       2.96673385       1.52137335       1.48376072       3.70365076 
O       5.21817693      10.27107240       1.02048434       1.26074898       0.43765707      -2.70783162 
O       3.67139438       1.53667585       1.50045278       1.34771540       2.54831945       0.74287355 
O       3.51458948       1.88744600       9.52090762       0.07678108      -1.22958109       1.16046364 
O       5.02246836       0.02285772       8.94041286       0.75615921      -0.74122875      -1.51054755 
O       0.53696331       8.91867702       9.35289746      -1.45353776       1.64173059       1.83087450 
O       2.92077636       5.12045861       4.25085650       1.05363345       0.00480866       1.87992355 
O       5.21402855       3.95011174       3.38734379      -0.02465751      -5.23901908       2.06152298 
O       5.43666246       3.55027986       0.46469201      -1.75222759      -0.01746077       3.09884656 
O       8.80411988       7.23610187       6.50402795      -2.08623910      -1.23450768      -2.14380627 
O       4.04227208       5.26048790       9.61400235      -1.66631778       1.38611860       0.76699447 
O       5.39224673       2.75180143       5.67526537       1.54677432       1.73868556       1.61514930 
O      10.67045706       5.29745651       9.48051891      -0.34041914       0.47090407      -0.97946961 
O       9.34187903      10.89833014       6.58788247      -1.81372213      -1.39845044       1.79281261 
O       1.81332274       3.62799208       6.43570729      -2.26690079      -1.89188804      -3.23241774 
O       7.10941107       1.63613387       1.43880468      -1.03074050      -0.14271670       1.50617084 
O       9.12469529       0.04569156       1.18690822      -0.95787849      -1.00818263       1.74806113 
O       7.02446537       8.67996462       3.90755978      -0.58709693      -0.66842679      -0.22158919 
O       7.19163431       1.85773617       4.26245157       0.64849694      -2.96873906      -1.67035828 
O       3.57445263       9.05720019       6.50402179       0.02702019       0.19846724       0.43461124 
O       9.01665543       7.45496221       8.82928773      -0.34579675      -0.67149631       1.66138338 
O       7.27410747       1.65544733       9.66505971       0.64953544      -1.74512805      -0.97776009 
O       7.00724593       9.19979396       9.12567282       0.52925102       0.86814052      -0.29190447 
O       5.47874994       7.35757882       9.03806287       0.18357166      -0.97451611       0.57861693 
O       9.40834174       7.64626482       3.81479965      -0.66083019      -2.13817035      -1.39450805 
O       5.19310543       7.12487590       6.58912373       1.85147428       1.12558595      -2.21901086 
O       7.47349746       8.99490799       1.06492504       0.16556637      -1.83850522       1.34999759 
O       9.34206320       6.96734878       0.91793064      -1.06495975       3.36966207       0.45603372 
O       7.35355874       5.48700211       9.19385308      -1.85899701       0.08690336       1.50802572 
O       3.57852727       8.95568233       9.23804973      -1.12518462      -0.21773581      -0.27804792 
O       9.25923584      10.44724488       9.57790021      -0.56220674       0.37980375      -2.61080037 
O       6.94931137       4.93280183       6.73348277       0.98119073       1.52929423       0.35306658 
O       5.35265722       0.22255898       6.21725945       0.20599102      -3.25573214      -1.70130461 
O      10.64380768       5.22368692       6.69619815       0.80735283      -0.37743090      -0.30064071 
O       0.29195100       8.92121991       4.49070063       1.02867403       1.12922408      -0.59762846 
O       1.95743555       7.26778487       3.57715541      -0.05890108      -0.04360300      -0.63865032 
O       3.86352417       9.14244028       3.78387989      -0.90963890       0.90771865       2.54159451 
O       3.66561696       5.19703349       1.73026908      -1.21441344       0.28531661      -1.77685641 
O       5.53657888       7.09830650       1.08236382      -0.05961938       1.04721275      -0.75952924 
O       9.25780039      10.38798059       3.85956815      -3.41001330      -0.35423820      -0.92920552 
O       8.86790779       3.53588356       9.02024005       0.01544150       0.55544866      -1.94531318 
O       7.63609217       5.40421145       1.29674916      -3.79274329       1.73578670       0.58494574 
O       8.93896019       3.60743720       1.10631861       2.46396777      -3.22866856      -1.16400943 
O       8.75778816       3.85032909       3.58107028       1.03824143      -1.74946444       1.27900398 
O       7.56158600       5.68485574       4.09665235      -3.46085043       2.34189122       2.34826288 
O       3.40746413       8.76187562       1.32352797       0.25897046      -0.40263789       0.41271192 
O       8.87196798       3.06834098       6.37108382       2.36550387       2.79420740      -0.95416367 
O       7.38755093       1.41309524       7.11308857      -3.43090498      -0.85593597      -1.05930658 
O       1.94169419       3.53724277       8.75250819      -0.27021262       1.91666775       1.62125894 
O       7.26673769       9.38392071       6.41192586      -2.88843385      -1.12891369      -1.61819439 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.027919494049079566 -0.0045154437944473595 0.017628164643856473 -0.0045154437944473595 -0.029298101607899835 -0.012410565890089915 0.017628164643856473 -0.012410565890089915 -0.0354943850020758" pbc="T T T" energy=-1059.09221348 free_energy=-1059.0922363 config_type=crystal 
Hf       1.74982878       1.97241405       2.71956230       1.95686653      -1.53095707       1.23540434 
Hf       3.72848161       7.15737381       0.39958716       1.37744470       2.11327665      -2.64252993 
Hf       5.28959033       5.27505182       2.84611447       1.93887570       1.85662222      -0.70976094 
Hf       9.00795451       5.39865577       8.14480596      -2.26424908      -4.59939826      -2.82917383 
Hf      10.47448566       7.23424943       5.07160599       1.35137159       1.16330415      -0.38968441 
Hf       0.01350579      10.39231194      10.31691619       3.26190885       2.49618356       2.21307521 
Hf       7.22121026       3.55709701       5.17071004      -1.07942526      -0.93757093       1.00432553 
Hf       6.90418503       7.12405891       5.59985910       0.55187232       1.45020155      -1.09726472 
Hf       1.54068388       5.59470846       2.13376537       1.82000902      -3.53970902       1.66161513 
Hf      10.55006081       3.63276517       5.44244818       1.25844370      -0.65964640      -3.16983793 
Hf      10.86510146       3.44035919       0.17253397      -0.68495882      -1.42452291      -3.56373498 
Hf       1.45827537       5.34062348       7.86867432       3.08393756      -1.94979689       0.33084885 
Hf       9.23873509       9.09970881       7.54890255      -1.15383616      -1.25618849       0.98825733 
Hf       1.61403989       1.61485524       7.68415434       4.78471072       2.53936188       0.24257479 
Hf       7.19133018       7.33164663      10.35133608      -0.85624107       0.19132463       0.33127796 
Hf       9.46975012       9.10033068       2.23383826      -2.37168204       0.23239885       1.64406257 
Hf       6.03042245       8.93819579       2.65580084      -1.43107145      -1.07371739       0.39830461 
Hf       5.38620439       9.03971058       7.92830588       3.73319362       2.53368514       1.83940290 
Hf      10.93674209      10.91615336       5.03861580      -0.01458772       0.76966854      -1.40280040 
Hf       3.54234454       3.61590356       5.28603947      -2.70978899      -0.17249996       0.30325776 
Hf      10.86188402       6.99558645      10.29663393      -2.15637758       4.16966155       1.96459127 
Hf       1.75948222       8.83755858       7.73750959       0.11208456      -1.26593736       0.88475900 
Hf       7.29687393       3.58148277       0.12136405      -1.28185189      -0.46306223       0.03354078 
Hf       9.00882375       5.33444353       2.63533385      -1.12299073      -0.00324218       1.87221764 
Hf       3.42620875       7.30004174       4.92329902      -0.07543761      -0.21052686      -0.75753465 
Hf       3.23209253      10.79816797      10.07655762       4.03502778      -0.70647720       2.55147278 
Hf       7.18007332       0.08368784       5.24441035       4.68701011       1.11044166      -2.80074136 
Hf       5.50365950       1.59623343       2.21344206      -2.47702549       0.50409159       1.06377993 
Hf       5.64002105       1.96223340       7.78211046       0.20271483      -2.72821450      -2.07304340 
Hf       1.89756090       9.00500942       2.74074749      -0.10274459       3.01775783      -3.16520831 
Hf       3.75592694       0.01753749       5.56877491      -0.30718792      -0.75893562      -0.25120190 
Hf       3.53312057       3.42488833      10.28679552       0.63083861      -0.03076259      -0.12529894 
Hf       7.18877118       0.00948450      10.59210706       0.81598125      -0.49875564      -0.73363472 
Hf       9.16091166       1.78814081       2.72268138      -0.55179149       1.89064178       1.06293383 
Hf       4.95687315       5.82254768       7.90056068       1.28949810      -4.31935679       0.34790739 
Hf       9.24906429       1.54729769       8.15350250      -3.45356255       1.94874668      -0.17195416 
O       0.20198558       9.12025723       1.31665877       1.30947181      -1.21423050      -0.58510331 
O       5.29564943       7.25921837       3.81483324       0.33916594       0.85644348      -0.11758878 
O      10.85908826       5.52608260       4.16216653      -0.86277970      -0.71767666       0.43305216 
O      10.72484034       1.84390499       4.18583019       0.17260187       0.43352876       0.87485064 
O       1.46485412      10.90223770       3.34597869      -0.56896264       1.33465224      -0.17845456 
O       1.87268322      10.83049223       0.76667253      -0.71462248      -0.46723872      -0.40561137 
O       1.69392688       4.24250185       0.57653046       0.63904950      -1.65156159       0.23359204 
O      10.67676048       1.44977593       9.89595029       0.20334675       0.40952808      -2.83415943 
O       1.85144754      10.66659529       8.67698893      -3.57998314       0.46548936      -2.02183096 
O       1.79224241       0.47441934       5.77562896      -0.49488046      -1.70052192       3.10942851 
O      10.82747473       1.70504503       6.88620098      -2.48839141      -0.52529504       0.24735973 
O       2.10911940       3.90646687       3.29363682      -0.41047277      -0.71136592      -0.22153433 
O       1.74147187       7.01976853       0.59774477      -0.19623055      -0.33321805       0.38783697 
O       1.02728704       7.20098329       8.59857317       1.75883673      -2.75739475      -0.59421092 
O       0.08904259       1.97700713       1.72994702      -0.28317341       1.22795534      -1.23295806 
O       3.36824132       5.00238295       6.90006099      -1.35262639       0.90576436      -0.30458809 
O       3.71896490       2.00915642       7.06253322      -2.58453398      -2.26813477      -1.46986496 
O       5.25711499       3.43457047       8.71337083      -2.65913886       6.15696547       4.06895758 
O      10.64527513       5.62283668       1.53444655      -0.82777671      -0.37412049      -1.59566810 
O       1.75166894       7.17981586       6.00095706      -0.19909643      -0.39624678       1.07905800 
O       0.17280899       8.90518799       6.54508587      -1.49319422       1.58589060      -0.18254564 
O       3.50964383       1.63126864       4.65615420       1.09702002       1.47247339      -3.72294021 
O       5.74201955      10.76528617       3.56085658      -0.77482131       1.91731619       0.32952656 
O       4.98803859      10.95112809       0.70712303       2.36501825       1.22311393       0.54927934 
O       3.41775619       1.93884958       1.57295659      -0.26912683       0.81912814       0.41833664 
O       3.19595208       1.70344009       9.32215669      -0.26414543       0.20983196       1.81457603 
O       5.33799174       0.07380236       8.36084974      -1.14021879      -0.44690892       2.78706117 
O      10.58393654       8.84732629       9.26704958       0.19919187       1.68474770      -1.85869475 
O       3.88266112       5.50825171       4.31038804      -0.44312342      -3.19420513       0.53505720 
O       5.96623102       3.46229869       3.31126555      -2.72867515      -0.44937356       0.83144260 
O       5.41819273       3.27262907       0.87159277      -0.50438796       0.28185779      -1.39651915 
O       8.93124257       7.23555221       6.45277109       2.77624083      -1.58193182      -3.69359461 
O       3.52430822       5.25188591       9.28309767      -0.34727211       1.50327881       1.70961722 
O       5.29778476       3.39613014       6.04254632       3.49556354       0.37589347      -0.25589524 
O      10.54938055       5.27958848       9.69694597       0.78062709      -2.76401164      -1.49476230 
O       9.14805677      10.68937018       6.20013953       0.36988149      -0.32180508      -1.52612602 
O       1.53733464       3.24720677       5.80959988       1.26385547       0.15319974       1.68644451 
O       7.34907434       1.56746407       1.56855182      -0.15765764      -1.05329531      -1.88167043 
O       9.25295411      10.70136415       0.32753721      -2.48283505       0.45984900       1.52492485 
O       7.28784224       8.66557293       4.13894578       0.65875223       0.82297680       2.68136551 
O       7.51647895       1.93552542       4.08899511      -0.30477689      -3.87582878       1.04317022 
O       3.60392284       9.40441424       7.26142392      -1.87773551       0.13634165      -2.89103669 
O       9.16169556       7.05255688       8.85374623      -0.68729622       3.44014195       0.66900419 
O       7.30256327       2.33911268       9.20146312       0.33459340      -3.67216949       1.58917020 
O       6.58134984       9.37847032       9.79533118      -0.59136761      -3.72729432      -0.11218429 
O       5.30186630       7.36104179       9.20799921      -0.22164734      -1.64390483      -0.55931907 
O       9.12398118       7.31197546       3.09006054       1.30509951      -1.06784470       1.62076273 
O       4.95164232       7.22090546       6.28480610       0.44309959       0.44283834       2.91798006 
O       7.66373219       9.53150822       1.66750845      -3.42928685       1.50690278      -0.98867551 
O       8.87729818       7.74897907       0.43156036       3.19673073      -0.11638895       2.15755489 
O       7.29972008       5.28784503       9.85873221       0.62999074       1.68508638      -0.46037106 
O       3.16997409       8.59702650       9.66642309      -0.60589644       1.99716362      -0.99569576 
O       8.17331799      10.53963124       8.41374017       2.53194878       2.82458713       2.40849815 
O       7.00087808       5.58158591       7.31422784      -0.99456854       0.64644736      -0.43376313 
O       5.80182923      10.37926115       6.24130395      -3.81600260      -0.99545992      -0.65817762 
O      10.85302773       5.13322344       6.75324101      -1.39439847       1.83177099       1.56515030 
O      10.78108636       9.17503230       4.00502793       0.39040028      -3.01018635       0.11110828 
O       1.88032799       7.08720983       3.27198395       0.51661396       1.91201857       2.25260062 
O       2.99294288       9.24615197       4.32475101       2.42325897       0.28928224       2.54256916 
O       3.76015584       5.57653947       1.53857709       0.00001364      -1.61204587       0.84891970 
O       6.18045983       7.28031273       1.45328850      -1.18734423      -0.09948842      -2.61013692 
O       9.13456434      10.95227047       3.37076255       0.39699841      -2.00625252       0.18987665 
O       9.30785353       3.46212438       8.88222164       1.17233113      -0.37507451       0.93542647 
O       7.19015131       5.22098079       1.99419714       0.98573202      -0.92190959      -1.24250549 
O       9.00328298       3.31237919       1.16838039       1.33249006       1.75036147      -0.03158807 
O       8.92253627       3.73003846       3.96269060       2.33421522       0.92879338      -2.67675097 
O       7.16155505       5.46319658       4.60634521       0.18808977       0.62329921      -0.57223055 
O       3.84142504       8.50139683       1.79584257      -1.03949353       1.19526737       0.94789822 
O       8.88018377       3.49865519       6.35353045      -0.93216520       0.44399121       2.01129095 
O       7.33341701       1.57578099       6.77853793       0.58288860      -0.25984200      -1.86497334 
O       1.46183136       3.44495841       8.90352438      -0.46934359       0.48569387      -1.60643920 
O       7.34576058       8.54056859       7.18029128      -3.63194225       0.10182208       0.19569248 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015205174044941351 0.00230906609294595 0.004428373350284753 0.00230906609294595 -0.03632594395300766 0.002186316735948217 0.004428373350284753 0.002186316735948217 -0.0062755378898111565" pbc="T T T" energy=-1057.74785745 free_energy=-1057.74786158 config_type=crystal 
Hf       1.61962186       1.84578329       2.62307373      -0.30200436       0.10344334       0.28512259 
Hf       3.60007762       7.04997543      10.21472473       0.83260364      -0.43713984       1.26242429 
Hf       5.34867592       5.04956518       2.35185141       2.26727676      -0.97234998       2.41897457 
Hf       9.18888551       5.70297861       7.79827239      -1.02546965       0.36746731       0.71873590 
Hf      10.92168712       7.22556680       5.08535694      -0.84484285       1.76481072       0.74406784 
Hf      10.73638983       0.08519868       0.16889460       3.97764980      -0.72219900      -3.03978169 
Hf       7.39295991       3.41390823       5.66122191      -0.80081185       0.95196042      -2.91497041 
Hf       7.08945603       6.83380851       4.81525098       2.47647152       1.72234662       0.73883340 
Hf       1.88671928       5.58532958       1.96551925       1.25941399      -2.39031424       2.09057452 
Hf      10.79009855       3.78803218       5.01126409      -1.30995558      -4.04644965       1.17988831 
Hf      10.81993294       3.43886895      10.34939204      -0.26910258       2.13933242       2.40039904 
Hf       1.52262325       5.36715552       7.65654562       2.00542311       0.82598961       2.27241511 
Hf       8.82699338       9.27128536       7.61810287      -0.02145509      -2.63052098       1.53174269 
Hf       1.78534166       1.51318564       8.28386931       1.18347463       1.27532592      -1.75085498 
Hf       6.86017741       7.01160477      10.23924966       6.14264482       1.43016507      -0.71379732 
Hf       9.08170537       9.18174899       2.65394640       1.93982934      -1.36859790       0.64922450 
Hf       5.45859046       8.96035671       2.42430005      -1.73725439       1.62517099       1.90991323 
Hf       5.37196608       9.39696471       8.20429817       2.42626783      -1.07232350      -1.65703804 
Hf      10.76522679      10.87655257       5.37711427       5.16026266       0.11927784      -1.15167782 
Hf       3.09472598       3.42083866       5.39962277       1.53635068       6.84558502       1.69024268 
Hf      10.92769276       7.18144118      10.46345014      -2.72205693       2.39370107       2.21015482 
Hf       1.71121424       9.12626802       8.02756915      -0.30995552      -0.94526339       0.59546047 
Hf       7.24089271       3.65265908      10.45773758       1.05199140      -1.43369196       1.50015853 
Hf       9.19608294       5.73111461       2.42322387      -2.44638066      -2.07923406      -2.00531530 
Hf       3.83125042       7.09881191       5.07495348      -1.36195707      -1.91657740       2.26485227 
Hf       3.26793574      10.66075607       0.29015374       0.31277170       2.59380011       0.69670200 
Hf       7.39615303      10.71518712       5.13005316      -3.10284752       0.16280517       1.28904163 
Hf       5.50984033       1.70060741       2.47704572       0.55741301      -0.14333099       1.38540944 
Hf       5.22003353       1.80098924       7.68297527       0.34574918       3.01900971       1.52405680 
Hf       1.73036993       9.04220307       2.86800032      -0.92771957       2.54325284      -0.46012117 
Hf       3.60048858      10.55525275       5.43331808      -2.88729824      -1.69386172      -2.69340795 
Hf       3.51623683       3.58146885      10.03385232      -0.35046997       1.95298057       2.62687599 
Hf       7.31247790      10.73225153       0.10554246      -0.97720354       1.99531935      -1.20799066 
Hf       9.23202717       1.76441428       2.91187769      -1.69225246       7.41363829      -4.12967710 
Hf       5.41710776       5.39778849       7.80352460      -1.31894460      -6.02852302      -0.78896020 
Hf       9.01716039       1.63937148       8.00633379       2.64872576       2.20451998       0.54302103 
O      10.91288683       8.76845843       1.81772715      -0.70064086       1.02326088       0.40692334 
O       5.59492342       7.19651784       3.40784989      -0.92912808      -0.37529596       0.63958506 
O      10.51203220       5.43616265       4.26093991      -0.05051103       1.61453761      -2.89991941 
O       0.02658671       1.99529971       3.98659597       0.20533324      -1.85866988       2.41298919 
O       1.67004412      10.87746575       4.16331499       0.21996442      -1.05795648      -0.30965379 
O       1.61526236       0.09336090       1.44485864      -2.37064207      -1.77861987      -0.72332663 
O       1.81208340       3.79235454       0.72630380       0.06110309      -0.33972186       0.59269860 
O       0.30596416       1.69933180       9.57749758      -2.14996985       1.42406896       3.03938970 
O       1.68098763      10.89907394       9.52853839       2.48357952      -2.09501576      -0.32674608 
O       2.50339933      10.72988131       7.15899384      -0.26364092       0.55461778      -0.75107502 
O       0.11017529       1.38465007       7.30807822      -0.05690282      -0.40134388      -3.49303930 
O       1.65755176       3.75915227       3.49086568       0.39665404       0.12062961       0.50583850 
O       1.86697000       7.23722596       0.76400582       1.38647909      -1.42366749      -0.52387115 
O       2.32440305       6.94718130       8.84500419      -3.17161128       3.69007616      -1.95332787 
O      10.71206751       1.90594619       1.46543437       1.63834655      -0.47743907      -0.50455100 
O       3.01681359       5.56521414       6.37588027       1.52900917       0.82447254      -1.23794311 
O       3.35982645       2.64583478       7.28994706      -0.13334555      -1.98726928       0.87946125 
O       5.41672200       3.35330259       9.20207195       1.30848513      -0.25110057      -0.93716741 
O      10.90570199       5.47328815       1.28946181       0.92086144       1.03144946       0.84721348 
O       1.78394521       7.83275884       6.15810683      -0.27567972      -0.06334151      -0.56667737 
O       0.03612599       9.43666542       7.11953581      -1.02268126       0.40848413      -1.05917890 
O       3.26060103       1.72265417       5.02373701       0.10506921      -5.71064843      -2.51605096 
O       5.69989099      10.92484596       3.66021923      -1.15287311      -1.09735238       0.04080287 
O       5.36091608      10.85831992       0.90385870       0.45326122      -0.69471791      -0.20459666 
O       3.41950148       1.32155282       2.05718725       2.58627581       0.93082768      -0.13679889 
O       3.54215905       1.76592018       9.69583258      -0.39670228      -5.18397736      -0.38376874 
O       5.99165409       0.16906171       8.86620575      -0.68804950       2.62172984       0.28920009 
O       0.34254164       9.12794221      10.03338220       0.02025383      -2.25574865      -1.63373425 
O       3.53310436       5.57672747       3.51128728       0.89516818       0.54607883       0.19611014 
O       5.62516483       3.34846333       3.73394612      -1.33669335       0.20523872      -1.54957371 
O       5.49727533       3.20168251       1.08341471       0.52658118       1.26176077      -0.52507544 
O       9.00147743       7.76797174       6.10595139       0.67156996       0.30872006       1.70315320 
O       3.65482409       5.16994686       8.95558810       2.02569359       2.35987641      -0.77497108 
O       5.16312555       3.77939929       6.36843826       1.87768489      -0.78504199      -0.24803943 
O      10.90871664       5.61159867       9.28386179      -0.14921249      -1.11073764      -1.09999540 
O       9.17963021       0.18243427       6.22714516      -5.54304292      -0.91463975       3.01518538 
O       1.23841891       3.96758163       6.38221515       0.31509814      -3.65910080      -3.48369575 
O       7.49464002       1.48755704       2.01148170      -2.78649605      -0.22109002      -1.49436705 
O       9.10424120      10.78153315       1.09242662      -1.10545528      -1.92378413       1.10261691 
O       7.23482999       9.02154006       4.34884600       0.51885688      -3.81477223      -2.63108602 
O       7.51181531       1.62318530       4.90815259      -2.14060344       0.89362132       0.53293517 
O       4.33096531       8.89691753       6.64485689      -2.52270700      -1.18363765      -1.98790380 
O       9.08953222       7.45568334       8.91416656       0.45541935      -1.12061709      -1.64768221 
O       8.09648992       1.60413096       9.88320771      -1.64613224      -0.36756350       1.12983331 
O       7.28120805       9.09043401       9.25044325      -0.11317476      -0.04331344       2.96279297 
O       5.59669106       7.09953226       8.53964004      -0.97245400       5.13359202       3.26691691 
O       9.12218724       7.16727157       3.79287628      -1.04558902       2.07468864      -2.03901019 
O       5.44958802       6.45548150       6.20832822      -0.55729295       2.53018346      -4.92830005 
O       7.27380464       9.24303992       1.83936142      -0.29340032       0.01973678      -2.51438128 
O       8.98483713       7.24358931       0.86349539       0.33373913      -0.14976995       0.83979854 
O       6.91205856       5.28923480       9.29925481       1.92626484      -1.04520116      -2.49915531 
O       3.93792516       9.16432117       9.55348635      -2.31459387      -1.03500897       1.58511386 
O       9.68447151      10.86196454       8.83180159      -2.29176324      -2.03785659       0.69867288 
O       7.61701383       5.59239028       6.38083997       1.25273659      -1.99235391       1.59605809 
O       5.00034042       0.28835973       6.35581261       4.42536775       2.57118316       2.12895192 
O      10.75046621       5.80399227       6.65402132      -0.50357076       0.95879040       0.23931945 
O      10.58876967       9.16447367       4.31034149       0.38619007       0.45738328       0.50059821 
O       1.32368891       7.20294189       3.35618445       0.13617976      -1.54610427       1.20664851 
O       3.59112810       8.80073152       4.04316478      -0.05207658       1.46098601       0.32436693 
O       3.94426770       5.25665626       0.96139464      -2.31582461       1.00151422      -1.36725325 
O       5.45465846       7.24368233       0.76930204      -3.21347410       2.75275396       1.60078796 
O       8.97228473       0.17570104       3.69208211       0.73061730      -8.20066606       2.84064896 
O       9.34232231       3.50247631       8.99243640      -0.68943525       1.96597282      -0.95059047 
O       7.15864865       5.48477223       0.99053458      -0.91474586      -1.35864157       1.08875819 
O       9.08040938       3.76381306       1.07721514      -0.59884277       0.25495586      -1.05178001 
O       8.66423323       3.33034879       3.96103279       2.52468693       1.89981378      -0.78344267 
O       7.31137145       5.33906127       3.52067290      -0.35282807       0.93250743       0.48036734 
O       3.35125864       9.10090313       1.63295931       1.43404995       0.11551316      -0.85550840 
O       9.28224344       3.25274579       6.35871571       1.57542135       0.90677290       0.54253137 
O       7.31563235       2.53950077       7.46028581      -3.15825964      -1.59033784       0.32790782 
O       1.70527664       3.67381533       8.72462195      -0.82245817      -0.92167174       2.29953335 
O       6.83716619       9.32940563       6.84188114       3.74915687       1.61761862      -1.28495022 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0029473259868454077 0.00594934217379887 -0.004135111506427994 0.00594934217379887 -0.018457061522489545 0.0007860556218646828 -0.004135111506427994 0.0007860556218646828 -0.002938918312045313" pbc="T T T" energy=-1062.14806641 free_energy=-1062.14807159 config_type=crystal 
Hf       1.66209225       1.90086633       2.68285824      -0.48267147      -1.62729398      -0.81080873 
Hf       3.61754477       7.06563692      10.20321937      -0.50372491       0.83703174       0.27950551 
Hf       5.35367821       5.04198527       2.41199677       1.18169445      -0.60264866       0.83180564 
Hf       9.16194645       5.70880786       7.73179405      -0.28119610       0.44917016       0.84815116 
Hf      10.87304621       7.19840041       5.04843806       0.15575005       1.81879830       0.87655134 
Hf      10.73792049       0.04662742       0.14459150       2.51238774      -0.39114863      -2.46684785 
Hf       7.40226780       3.34850682       5.65740461      -0.47262903       0.51932202      -2.14308764 
Hf       7.10769919       6.85689499       4.83626536       2.19704763       0.74048461      -0.07761048 
Hf       1.93975662       5.61378078       1.98059691      -0.87404059      -2.58106042       2.13204612 
Hf      10.81501753       3.77266190       5.07566637      -2.48575525      -3.20141794      -0.17853971 
Hf      10.81725639       3.51570579      10.34704856      -0.85497402       1.18700726       1.62142452 
Hf       1.50715787       5.39166902       7.66499185       1.57981251       0.19887218       1.91966788 
Hf       8.83218641       9.24057274       7.60388733       0.51201554      -1.46628479       2.49872410 
Hf       1.74947566       1.50813153       8.27890876      -0.33588134       2.07332974      -2.49555436 
Hf       6.86700727       7.01958764      10.24873817       5.01529655       2.10039066      -0.76214591 
Hf       9.10267066       9.21645946       2.69338105      -0.25156556      -2.45121819      -1.02512071 
Hf       5.43735072       8.95589587       2.44572503       0.29752250       3.91565341      -0.41831910 
Hf       5.35700435       9.39451779       8.18402920       2.52355009       1.15959437       0.96365282 
Hf      10.76514834      10.91431527       5.32003856       1.78708313       0.01964762       0.25756120 
Hf       3.09779695       3.40594080       5.42402983       1.88144881       1.46178647       1.12194427 
Hf      10.93940232       7.19147874      10.48276516      -3.56457644       0.88057154       1.11882182 
Hf       1.75768006       9.13813589       7.97219578      -0.80002805      -1.89409198       0.88553724 
Hf       7.21282651       3.62366731      10.49632436       1.71026611      -1.59465645       0.20985008 
Hf       9.18517778       5.73619655       2.44724732      -1.50522624      -2.41131608      -2.46312707 
Hf       3.84046321       7.10122825       5.08843648      -3.32193234      -0.81508386       1.38125875 
Hf       3.29080595      10.64730298       0.31649187       0.04412288       2.33315351       0.90698578 
Hf       7.39497472      10.65799790       5.09681245      -4.02117375      -0.63196833       1.13590792 
Hf       5.44925277       1.70394461       2.51083829       1.28604904      -2.89001913      -0.66305968 
Hf       5.22590452       1.78002428       7.68175506       1.09011059       1.99638118       2.87688178 
Hf       1.73495491       9.05444629       2.82331133      -1.90781969       2.42238671      -0.23123536 
Hf       3.61971855      10.55098111       5.39386919       0.19657929      -0.65314178      -1.52886639 
Hf       3.52997116       3.59693631      10.03237616      -0.58918203       0.37069868       1.75063933 
Hf       7.35148466      10.75299902       0.11125587      -3.42016787       2.46925500      -1.22428082 
Hf       9.23220356       1.75267043       2.87895574      -3.12166799       3.46333585      -2.25208272 
Hf       5.44372098       5.37239610       7.88251434      -2.37498877      -1.39642701      -3.94751790 
Hf       9.02501738       1.65189506       8.00369301       1.55415239       1.36792499       1.46354419 
O      10.73094283       8.71679377       1.81990376       2.27322215       0.52777452       0.06487498 
O       5.59596917       7.25923481       3.23628359      -1.30011412      -2.75918956       2.06880443 
O      10.55793105       5.38867880       4.19335297      -0.18425860       1.17991734      -2.29531338 
O      10.94727946       1.87686710       3.93382372       0.21127478      -1.05447704       3.84231130 
O       1.67973864      10.90295828       4.03565401      -0.69020218      -1.90928598       0.25156556 
O       1.41894059      10.92609823       1.47583814       0.53267133      -1.04183953      -0.84373880 
O       1.62085737       3.70961549       0.73405171       3.41172363       0.85112749       1.57407595 
O       0.18794919       1.72842360       9.55734149      -1.64171456      -0.42874053       1.73617251 
O       1.74571272      10.94091523       9.40471490       1.00924615      -3.14421162       1.62806679 
O       2.64619764      10.65464503       7.14123969      -1.11018627       1.95989216      -0.42770111 
O       0.01687071       1.33638889       7.14354172       1.86871293      -0.46561850      -2.13683551 
O       1.53767679       3.77849410       3.62337402       1.47191732      -0.82037482       0.11318978 
O       1.77165148       7.20451287       0.83579760       2.49394755      -0.93615901      -1.28347309 
O       2.27619632       7.03066055       8.73890817      -1.90860261       2.85703984      -0.18076558 
O      10.86497700       1.96950348       1.52879883      -0.29363081      -0.97935781      -0.43182188 
O       3.08834214       5.59896027       6.43760659       1.42101165      -0.01643522      -1.25040892 
O       3.32148286       2.66829304       7.29305859       0.43521530      -1.53391472       0.41943113 
O       5.55363453       3.37970491       9.10196463      -1.28438133       0.73480514       0.37101514 
O      10.82670770       5.55944975       1.28086391       2.51706584       0.66841723       0.93515127 
O       1.66027465       7.74560024       6.08157601       0.97770047      -0.06083471      -0.01117285 
O       0.06843556       9.36869439       7.03294060      -1.21148649       1.21114879      -0.58940630 
O       3.12914743       1.47750030       4.99749911      -0.14403785       3.50386259      -1.08817622 
O       5.61328885       0.01754965       3.84005192      -0.75450581      -1.20986730      -0.80639389 
O       5.27115686       0.00598143       0.97047330       0.60147503      -1.68193690      -0.59474424 
O       3.50187537       1.19955776       1.96201242      -1.05483990       1.73985310       0.84720003 
O       3.53977218       1.73958141       9.72092924      -0.18716126      -2.87957492      -0.44943218 
O       6.03483355       0.16538060       8.96562878      -2.93596243       3.43892925      -1.69867716 
O       0.40904029       9.07240175      10.04926405       0.11229707      -0.50881587      -1.72632715 
O       3.49406944       5.48686001       3.57366516       1.42207159       0.68842018      -0.31005642 
O       5.50299809       3.32405664       3.60268828      -0.91763395       1.54013690       0.47891491 
O       5.46989103       3.16529139       1.04587702       0.41495713       1.71956290      -0.78499358 
O       8.89847175       7.66470694       6.27571310       1.00014117      -0.51836855      -0.71886037 
O       3.73102592       5.29619493       9.01144987       1.46565059       0.47546160      -0.47190421 
O       5.22743288       3.78213215       6.29564205       1.03626905       0.10673378       0.21149468 
O      10.85830513       5.54620976       9.17336440       0.48564639       0.56211634       0.29890808 
O       9.03174612       0.19575885       6.19797727      -0.71533253      -2.07398690       2.48344047 
O       1.29126550       3.92914162       6.38447753       1.12179591      -2.94208940      -2.34466456 
O       7.45918301       1.41624147       1.92816778      -1.74475241       0.91762922       0.36210756 
O       9.06878211      10.71372449       1.06733367       3.30894974      -0.05702832       1.19189715 
O       7.16857303       8.83881129       4.32214276       0.35463965      -0.45558363      -1.42112308 
O       7.70435375       1.55297783       4.90815577      -2.27914525       2.25852050      -0.70810907 
O       4.30513982       8.93513304       6.67776555      -2.40467707      -1.35069768      -3.00093731 
O       8.99970650       7.42339075       8.80777506       0.03766224      -0.59579069      -0.13870569 
O       8.01376686       1.52070660       9.95167920      -0.11625757       2.55453992      -0.36606049 
O       7.16031155       9.30523099       9.41625108       1.28553967      -4.45423483       1.30347471 
O       5.50952019       7.36601275       8.55495781      -0.24476812      -1.96392503       2.11921503 
O       9.09412892       7.12341744       3.79235046      -1.02900477       2.14984318      -0.82300111 
O       5.45736174       6.69221820       6.08072909       1.26058891      -0.74128622      -0.89392795 
O       7.33023133       9.50692318       1.70103380      -3.22850416      -3.14978476       1.70870877 
O       9.02954812       7.31628566       0.80665702      -1.36450314      -1.17024141       0.54258286 
O       6.93332930       5.28667734       9.08669809       3.11809395       0.70808958       0.88764018 
O       3.83982130       9.19016221       9.57337130      -1.33213108      -0.95228327       0.62124957 
O       9.54475150      10.77042848       8.81775654      -0.83826313      -0.83162778       0.75478065 
O       7.74896483       5.47017270       6.28773673      -0.95751717      -1.19752899       0.08252160 
O       5.12795887       0.46503038       6.31132195       1.72374457      -0.50266117       0.00772087 
O      10.80969084       5.77052871       6.59672995      -1.33252962       0.38496969       0.23180338 
O      10.57204172       9.11498367       4.28578488       0.66732961       0.91431581       1.26789574 
O       1.37189597       7.23544166       3.44481936       0.18929982      -1.95491702       0.03153363 
O       3.49233489       8.87769249       4.12260943       0.62833256       0.23476803      -0.39236349 
O       3.84825118       5.23935663       0.88408451      -1.35937424       0.90510331       0.52253953 
O       5.35530847       7.32486946       0.73086651      -1.32206534       1.99226292       0.32609064 
O       8.97892582      10.93796894       3.73714226       1.46195465      -1.49415771       0.23193454 
O       9.33522381       3.51761312       9.00582638      -1.86331177       1.23643871      -1.50094625 
O       7.05432211       5.51210285       0.95454447      -0.63542133      -1.89011967      -0.42928673 
O       9.20308886       3.79214539       0.99987024      -2.50090080       0.02003260      -0.03141168 
O       8.73715352       3.41752677       3.94656258       1.84764356       1.05166982      -1.20609958 
O       7.20734401       5.41613311       3.31774563      -0.27577307       0.39967675       1.77472573 
O       3.33163918       8.94534951       1.60262659       1.65536737       1.00787848      -0.58046500 
O       9.21596797       3.24134443       6.43757874       2.57515585       0.89592995      -0.12047869 
O       7.24203334       2.51147401       7.47680445      -1.89163245      -1.80602744      -0.22589519 
O       1.60184871       3.54666043       8.79961879       0.80029432       1.73431892       1.14468210 
O       6.96179880       9.41452783       6.96822774       1.59416874       1.24842874      -2.52831173 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002564048205839355 0.004277961081829812 0.0023836192092811246 0.004277961081829812 0.009759015808252645 0.009089862803470513 0.0023836192092811246 0.009089862803470513 -0.009457302755069638" pbc="T T T" energy=-1062.51268021 free_energy=-1062.51272882 config_type=crystal 
Hf       1.57931244       1.92002673       2.78279900       2.26616518      -0.63138542      -1.71620925 
Hf       3.54561753       7.23733672      10.18224687       2.33575298       1.31259338       0.47047105 
Hf       5.20441016       5.39469474       2.55261036       3.04680760       0.02462639       0.42078500 
Hf       9.22955593       5.23152878       7.53294906      -2.62038307       0.32204491       1.64575588 
Hf      10.91668615       7.40838618       5.26296062      -0.04714311      -0.61819593       0.39110192 
Hf       0.13532785      10.66903124      10.57425959      -5.95628463       0.92588973       0.85976753 
Hf       7.38164115       3.51086368       5.21618930      -1.00356169      -0.31943357       1.88569089 
Hf       7.31242410       6.95272449       4.84271419      -1.44724646       3.31175448       2.69219567 
Hf       1.60435293       5.83970007       2.28033663       1.26646826      -3.62947928       3.44349203 
Hf       0.00668185       3.57835768       4.95667057       1.36081055       1.61573596       3.26163408 
Hf      10.50310076       3.59232778      10.41604065       2.20718844      -1.25030188       0.63953467 
Hf       1.76875198       5.25860150       7.72031665      -0.66130096       1.81220223      -0.32041657 
Hf       9.25190299       8.63511525       8.08431313      -2.00542166       1.00680645       0.29280002 
Hf       1.73035525       1.54962902       8.06045942       0.28993318       1.95725546       1.29191557 
Hf       7.33636548       6.92264085       0.01645518      -1.33350220      -1.40684681      -0.86323300 
Hf       9.03398771       9.46072402       3.13018597      -1.28400229      -1.64616786      -0.03223133 
Hf       5.30198331       9.28396047       2.29464166       0.70222383      -3.30099372       1.50550391 
Hf       5.64984639       8.79461621       7.58907422      -0.86651001      -0.19806162       2.51801018 
Hf      10.75141774       0.30029826       5.63726702      -1.49717571      -4.07255637      -1.59512086 
Hf       3.54996356       3.67366403       5.17310783      -0.87651433      -0.57452664       0.55553871 
Hf      10.80147362       6.94758657      10.44243097      -2.06413647       0.08217136      -0.65492493 
Hf       2.11563439       8.97808582       7.77131225       0.89185726      -0.69072470      -1.58135472 
Hf       6.95542153       3.42896024      10.39111267       1.26578338       2.33005369       1.09344412 
Hf       9.23648943       5.36573442       2.75836527      -2.95934797       1.84091388      -0.23156585 
Hf       3.69471357       7.48089660       4.83739778       1.21727464      -0.26956973       2.55396733 
Hf       3.53089946      10.89167283       0.03848995       0.36343809      -0.84333040      -1.34771100 
Hf       7.03732300       0.19441345       5.21190507       0.57173002      -2.30942248       2.00349897 
Hf       5.49198939       1.77524889       2.58947695       1.44420888       0.75380313       2.10342030 
Hf       5.19048125       1.73687604       7.81730574       0.44775057      -2.02045154      -2.13137900 
Hf       1.69862788       9.45264562       2.60756378      -0.31780415      -2.26749753       0.86345572 
Hf       3.17815253       0.19464189       5.25441713       2.72999393      -1.52918051       1.11374104 
Hf       3.44807550       3.77190210       0.06969085       1.28725042      -0.54750375      -1.51631370 
Hf       7.32935375      10.56705707       0.02109910       1.51584239       0.66880327      -1.39161706 
Hf       9.01080241       1.68322396       2.54276812      -4.42297647      -0.30462589      -2.43829067 
Hf       5.33358962       5.13759982       7.68319242       1.50019845       2.35903194       0.06919925 
Hf       8.83555944       1.44314075       8.22516183       0.35138375       0.58340481      -2.01433671 
O      10.61864581       8.94428601       2.13399889       4.87707052       0.82695296      -1.73597977 
O       5.50938883       7.44039292       3.63058973      -1.08902884      -1.15067910      -1.25552249 
O      10.91106473       5.33565570       4.05111718      -0.93269045       2.77957416      -0.71327240 
O       0.67844548       1.78204128       4.58934987      -1.82083061       1.88500723      -0.20831024 
O       1.35974204      10.84726225       4.09588547       1.90584300      -2.94130049      -2.35643726 
O       1.77625870       0.05709763       1.11627533      -0.11553414      -0.67986430       3.80970059 
O       1.91485122       3.19495388       0.98868907      -1.56617034      -0.28110165      -0.20537397 
O       0.18526870       1.70922792       9.68958708      -1.04353222      -0.61296322       0.48231664 
O       1.67953365      10.63825496       9.54551110       2.18313097      -0.84123066      -5.04464273 
O       1.76077031      10.78462701       6.74115148       0.09575046       0.51601812      -0.49451697 
O       0.10788121       1.67710088       6.89787981      -0.83784288       1.27348950       2.85785845 
O       1.65605144       3.73450686       3.38259634      -0.83132383       0.57084091       0.30818585 
O       1.71147401       6.95215379       0.67906970      -1.46975653       0.47797870      -1.06674473 
O       1.95128168       7.23197157       8.60793115       0.37646116       0.23489450       0.90299126 
O      10.76366611       1.54236738       1.94280231       2.80041072       0.62571944      -0.58040242 
O       3.52516684       5.40629605       6.85403444       2.41401041      -0.29988037      -1.15503581 
O       3.21262898       2.08103183       6.66993346      -0.38104719      -2.43423283       1.13654646 
O       5.38111741       3.51121493       8.88774415      -0.42843681      -1.10796732       0.80064694 
O      10.75329680       5.15921086       1.50316615       1.13844162      -0.46014945      -2.58387679 
O       2.04499919       7.70666448       5.94457628      -1.91760822      -0.50064200       0.52506924 
O       0.07662101       8.81265734       7.08495244      -0.56729492      -0.62284720      -0.08830946 
O       3.37986717       1.76645264       4.07920921      -0.12095974      -0.02458716      -0.45396217 
O       5.50012991      10.81100994       3.55719638       0.42085038       0.55300549      -0.72921807 
O       5.36620870      10.26816150       0.60120983       0.71669243       0.14439962      -0.51320191 
O       4.07130098       1.31202778       1.52644398      -3.76495028      -1.22085834      -2.48484470 
O       3.60009646       1.49971589       9.28386455      -0.30777220      -0.03129718       0.86802991 
O       6.08356321      10.85120717       8.45594825      -1.15726943       0.02921266       0.17280195 
O      10.66760664       8.74062515       9.54356854       1.58925192       0.22074259       3.28132806 
O       3.44809818       5.31032718       4.04776055       0.61156312       4.56290916       0.43864279 
O       5.03748334       3.62699925       3.65226183       2.03125169      -0.73334250      -1.39352857 
O       5.25841021       3.57640838       0.92988295       0.15168804      -0.46744725       0.64640531 
O       8.83505710       6.76469915       6.09168260       3.13616477       0.54166958       1.00741294 
O       3.31895498       5.29615516       9.47470750       0.38037533       0.23450027       0.56735236 
O       5.22418509       3.32370594       6.28123380       0.07222441       2.40805786      -0.98651509 
O       0.09935350       5.41019912       9.15274946      -0.72925688      -0.03642432       2.73963497 
O       8.83634914       0.10162654       6.70304163       0.85721782       0.48282624      -0.90075760 
O       1.67007512       3.99604915       6.08681887      -0.52166928      -0.38012016      -1.60882327 
O       7.09198095       1.00136722       1.53437427      -1.67366744       2.84742279       1.20442895 
O       9.06313670      10.84864577       1.29924272       1.07282099      -1.08978485      -0.25390579 
O       7.60322691       9.18968266       5.10448733      -0.88805392       0.84955635      -3.52893361 
O       7.10072658       1.73253528       3.95128016       0.70236846       3.22682965       1.28318310 
O       3.98756614       9.13491329       6.40093027      -1.66772037       0.19215379       1.30601974 
O       8.91454869       6.70949538       9.00773950       1.60954230       1.75386057      -1.10598660 
O       7.51693757       1.53569715       9.65103953      -1.49963709       1.55227422       0.54026894 
O       7.36748918       8.72502424       9.76790113       0.23160831      -0.15237964       1.25603699 
O       5.30158583       6.98798473       8.71034433      -0.85872885       0.18481892       0.46783719 
O       9.02264924       7.27172717       3.65852625       0.64217801      -1.12713967      -0.63593492 
O       5.60425092       7.21980296       6.21954691      -0.77634688      -1.05592105      -2.12740131 
O       7.37272341       8.89441189       2.16062900      -2.41731952       0.72964874      -1.17365562 
O       9.06431305       7.02795321       0.98313116       1.19747167      -1.12733932      -0.25432756 
O       7.23706490       5.14466688       9.43121427      -1.21178611      -0.26816878       0.67104959 
O       3.82633775       9.20897213       9.30985022      -1.12080065      -0.85867550      -1.22622767 
O       9.13615110      10.68405422       9.30862842       1.07455271      -0.33748993      -0.72202668 
O       7.19646416       5.18702792       6.66424599      -0.25238436      -1.93253678      -0.83587092 
O       5.24556145       0.33570871       6.04094517      -1.37465998       0.61287687       0.06080121 
O      10.91150462       5.64520499       6.71433165       1.03417285       0.70612568      -1.07470781 
O      10.34772255       9.20830206       4.77773114       0.68409600       0.29286294      -0.13889522 
O       1.54149299       7.36354009       3.49220217       0.21164931       1.87709181      -0.07059979 
O       3.50055408       9.31856160       4.01652553      -1.14166840       0.37898024      -2.34967337 
O       3.54260891       5.51832082       1.64301041      -2.68053370      -1.49716503      -2.68334707 
O       5.20530790       7.15141944       0.83185849       2.50768223      -0.58992972      -0.19552992 
O       9.07913597       0.32871714       4.02312933       1.12740252       0.39993264       1.03618967 
O       9.28395981       3.61232380       8.98915225      -1.39152826      -1.14636136      -2.59398045 
O       7.23075282       5.03631039       1.50015144      -0.23080665       0.70970104      -1.10110273 
O       8.79620713       3.02900992       0.76724161       1.33328575       0.60760763       0.97360028 
O       9.27257959       3.40075555       3.77496758      -1.44212525       0.53003835      -2.06561008 
O       7.25263875       5.26677796       3.77036150       0.35805510      -1.19342408       2.52194944 
O       3.38342458       8.73020325       1.22858092      -1.41698209       2.50546184       1.92400718 
O       9.14301350       3.15471227       6.18507696       0.38311800       2.07895726       0.26518727 
O       6.97249635       2.10744927       6.88716418       3.26176645      -1.09722326       0.14018794 
O       1.62764483       3.61713567       8.57777519       0.46537308      -4.80708370       2.14345577 
O       7.51377534       8.61597567       7.28170522       0.39700987       0.22553693       0.45930931 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01635112867701134 0.005799701174868124 -0.009156812619494192 0.005799701174868124 -0.015659654637497005 -0.000789169317280803 -0.009156812619494192 -0.000789169317280803 -0.02179920186487345" pbc="T T T" energy=-1060.58343442 free_energy=-1060.58344371 config_type=crystal 
Hf       1.62023255       1.94181712       2.72498638       2.01971837      -0.36466395      -0.84976624 
Hf       3.61806605       7.29711901      10.16105232       0.46358419       0.95363418       0.50722883 
Hf       5.23459887       5.37581514       2.53137224       0.88809580      -1.16008863      -1.47085455 
Hf       9.14022235       5.27399391       7.55795506       1.13502827      -0.12738932      -0.19368890 
Hf       0.05049763       7.48167469       5.23404984      -0.03586986      -2.05264838      -0.37174914 
Hf       0.11556071      10.61345781      10.53980760      -1.85856713       1.33103984       1.45758563 
Hf       7.42164381       3.54390938       5.18481206       1.31613657      -0.90016157       0.23458369 
Hf       7.29740650       6.93289216       4.85309639       0.73584401       4.56066609       2.61618770 
Hf       1.54854043       5.81911879       2.29181265       0.43919063      -2.65013810       2.40443394 
Hf       0.03340758       3.63644606       4.96955993       2.56566298       0.90325499       1.78456686 
Hf      10.47704246       3.54807179      10.44197424       2.12983537      -2.15557524      -1.60919454 
Hf       1.70077537       5.24992982       7.64957523       1.92316274      -0.09643982       2.16812976 
Hf       9.16165031       8.68476193       8.02873101       4.30132876       2.77304426       1.33178722 
Hf       1.76348488       1.54903269       8.04774894      -2.17317968      -0.56079052       2.10776951 
Hf       7.37462208       6.91378303      10.60581135      -1.15331669      -2.02751522       1.56253385 
Hf       9.02787964       9.49236221       3.18831661       0.45946124      -4.30635159      -2.22885279 
Hf       5.31643362       9.22025483       2.31348518      -3.32126495      -2.40206476       2.61240463 
Hf       5.73825836       8.79412494       7.50827958      -4.56560071      -0.29749969       3.54676762 
Hf      10.81265257       0.24794315       5.67679000      -0.79602679      -0.53518715      -1.39046735 
Hf       3.57118161       3.64019652       5.18443325      -3.01210727       1.66407423      -1.76311093 
Hf      10.82108530       6.98490906      10.44928827      -1.78072163       1.72448309       1.67609354 
Hf       2.05107440       9.00767754       7.78967140       1.62284240      -0.80539478      -1.25012569 
Hf       6.90389261       3.46854185      10.49896811       0.85225567       1.19697140       2.63139215 
Hf       9.27270997       5.27107688       2.83241305      -1.82554676       2.75643774      -2.63247193 
Hf       3.66871597       7.49372739       4.86764632       0.44684956       0.36206008       3.27051325 
Hf       3.55951073      10.89602532       0.07028979      -2.31413885      -1.60936513      -1.51637621 
Hf       6.99105581       0.16737174       5.30480348      -0.42692292      -1.48781959       0.78300613 
Hf       5.44703780       1.79215038       2.57373497      -4.55462714      -1.70330751       2.07172106 
Hf       5.15675430       1.78208795       7.81621722      -0.47159078      -3.70769563      -0.09221245 
Hf       1.74451139       9.32724105       2.61240689       1.81495568      -2.92033726      -0.27353345 
Hf       3.23203534       0.17793464       5.15485699      -0.88635496      -2.88509367      -0.25655859 
Hf       3.36159442       3.78441319       0.19575344      -1.48714479      -0.82784233      -1.56424937 
Hf       7.33553875      10.56497554      10.62856123       0.47984519       0.81824715      -0.55169957 
Hf       8.97223795       1.68609772       2.50738982      -0.32796829      -0.26229596      -1.49035496 
Hf       5.40733522       5.12741479       7.63326503      -0.93495422       2.50894670       1.37628746 
Hf       8.82179432       1.41662504       8.20964169       1.15814613       0.66717019      -0.23251523 
O      10.89003513       9.09263770       1.97253992      -3.02210401       0.56161805      -1.33152242 
O       5.27316958       6.97813956       3.52148283       2.04891651       4.21438187       0.51080439 
O       0.02410287       5.58448816       3.97407851      -1.74042952      -0.67314668      -0.46609896 
O       0.42597301       1.78558653       4.41194601      -0.27696909      -0.28776180       1.64414437 
O       1.51285762      10.54904223       3.97821861      -1.43379527       4.06610556       2.54973978 
O       1.92065374      10.77261047       1.41731051      -2.22846020       3.86988884      -5.41173292 
O       1.64174641       3.18887911       1.06013869       1.69098724       0.42808188      -1.80436885 
O       0.00928751       1.58622403       9.58628373      -1.48927332      -0.22811860       2.05018750 
O       1.66980407      10.76590420       9.17168661      -0.03568412      -2.27112532       0.69069375 
O       1.67364382      10.77842362       6.49839884       0.20933141      -0.40973849       0.77425714 
O       0.01498222       1.86921554       7.09138139      -1.12057704      -2.06823826      -1.42043882 
O       1.65458860       3.82991894       3.54424048      -0.04240979      -0.68495840      -1.25765686 
O       1.68780894       6.94205466       0.59666242      -0.08706494       0.53235907       0.91220330 
O       2.07410227       7.23459717       8.75413592      -0.90292886       0.67195610      -1.64308594 
O      10.86555088       1.65554166       1.97534629      -1.90023735      -0.03165545      -1.18768076 
O       3.67537240       5.57190355       6.74162777      -0.04011448      -1.38409010       1.54668964 
O       2.99323694       1.98990388       6.69341271       3.34644699       0.43262499      -2.15411260 
O       5.48062550       3.40853255       9.02239859      -0.78949178       1.26557705      -1.51668544 
O      10.79800232       4.87866133       1.28655106      -1.11958552       2.74283217       2.57311684 
O       1.88793288       7.55750468       5.91471920       2.23212063       0.11261973       0.89128455 
O       0.15122030       8.60883159       7.07263843      -2.09773967       1.11549918       1.33673346 
O       3.25310175       1.82718778       4.09370493       1.25849906       0.86107418      -0.08633960 
O       5.47352535      10.71025188       3.73457834       0.45414815       1.95514563      -0.67533623 
O       5.28707012      10.28257390       0.67973879       4.38450942       1.68494895      -1.63136711 
O       3.76991589       1.21046676       1.53016019       1.22617294       3.00253664       1.33198297 
O       3.68397352       1.56935311       9.34175412       0.13245038      -0.40105588       0.32444690 
O       6.04224518      10.82203354       8.44917736      -0.79599103      -0.67252496       0.80498493 
O      10.57937917       8.80746277       9.70235060       1.36073738       1.01848082       0.48003437 
O       3.43122374       5.67103376       4.25311431       0.19004537      -3.57433100      -1.01456438 
O       5.29472310       3.50228480       3.43731890      -0.68735603       2.51893039       3.36534433 
O       5.13681044       3.74819704       1.11882937       1.09294959      -2.02400003      -2.20511809 
O       9.14496115       6.95669714       5.85534380      -2.86512301      -0.92780216       2.81166875 
O       3.15166497       5.28005006       9.55100810       1.64011912      -0.46544972       0.49208019 
O       5.07732648       3.43499425       6.42657613       3.02293985      -0.09803171      -0.22084991 
O       0.18113051       5.43608256       9.46443850      -0.10792865      -3.11968220      -2.27309469 
O       8.87445597       0.00904374       6.72022575       2.31478062      -0.01680227      -1.26567646 
O       1.79134719       4.06789893       5.96484557      -0.83022609       0.04896001       0.99185120 
O       7.01321279       1.37530942       1.77981149       2.53265150      -0.59734641      -3.14259222 
O       9.12052905       0.13256738       1.23783888      -0.75271574      -2.62467578      -0.83378744 
O       7.51014737       9.11392422       4.84639246      -0.47392398       1.12139161      -1.75229862 
O       7.05282442       1.83882020       4.13260686       0.55996252       0.19083784       1.40729898 
O       4.04597400       9.15193552       6.55413040      -3.10626030      -0.93959958      -0.00631353 
O       9.14898781       6.89085158       8.71713637      -0.54005259      -1.62168299       1.18231839 
O       7.40226374       1.65744099       9.81241134       0.01705562      -1.31468269      -1.22147972 
O       7.54429601       8.67006763       9.76052492      -0.40691722       1.50795097       0.37841145 
O       5.18090144       7.07039566       8.63860485       0.76617224      -0.83158828       0.48514961 
O       8.94841588       7.22525521       3.59243863      -0.32571995      -0.75681547      -1.95642848 
O       5.54040231       7.20407606       6.05073522       1.57592104      -0.26212893      -0.37091268 
O       7.16476998       9.13939046       2.09591093       4.08619810       0.63934630      -1.45488692 
O       9.02737971       7.12063626       1.05068409       1.45209490      -1.35022310      -1.42820404 
O       7.28997877       5.11072092       9.55736041      -0.39558739       2.49461406      -2.16894924 
O       3.68675305       9.17965091       9.29881519      -0.39539357      -0.49237298      -0.01469552 
O       9.06299931      10.69748091       9.30310740       0.18556916      -0.47285938      -0.33964152 
O       7.29039882       5.13207252       6.61638020      -0.86473813      -0.34219024      -0.09759573 
O       4.82142576       0.33193306       6.16465025       4.96807127       1.99654803       0.82626565 
O       0.00449152       5.76822904       6.66852608      -0.19160352      -2.03060746       1.35767328 
O      10.36845087       9.19158999       4.69742958       0.02502677       1.68630519       0.02598746 
O       1.59716119       7.46556729       3.30852454      -0.32402768      -1.52532603       1.25521072 
O       3.40332473       9.22744427       3.95051944       2.21841192       0.00345918       0.12315214 
O       3.38215555       5.35685074       1.69641667       0.44321868      -0.72596110      -1.37787031 
O       5.37557279       7.25775651       0.88848364       1.16086423      -1.27108669      -0.88982304 
O       9.23519980       0.22494509       4.06243760      -1.37132726       2.86952447       0.04248519 
O       9.22303218       3.64110740       8.79675937       0.14645697      -0.73735325      -0.52163719 
O       7.36609240       5.05044352       1.38406810      -0.81111749       0.66544100       1.21431502 
O       8.78900367       3.04379943       0.72731143       1.18305462       0.09121533       1.39821768 
O       9.31985473       3.22845963       3.81393626      -1.81226220       3.30559589      -2.43269331 
O       7.24954631       5.27300831       3.88833713       0.95230352      -3.58918271       0.36007161 
O       3.51670081       9.02581092       1.39966382      -1.51577337      -1.62399839      -1.06195652 
O       9.28085510       3.27146248       6.09775834      -2.67491124       2.24775175       0.84722482 
O       7.10769043       1.53717818       6.92877704      -0.42673034       2.79855545      -0.73901625 
O       1.68139837       3.33938102       8.67177307       0.07608767       3.69105800       0.55872667 
O       7.57124821       8.89645146       7.22278506      -1.75393138      -0.19979891      -2.60851026 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014500020371287146 0.003419009108536856 -0.008786209820594582 0.003419009108536856 -0.020366479516912946 -0.0038236630409330713 -0.008786209820594582 -0.0038236630409330713 -0.019735666049234615" pbc="T T T" energy=-1062.43032738 free_energy=-1062.43032922 config_type=crystal 
Hf       1.64351865       1.94900502       2.69960848       0.18112664      -0.70646265      -1.15548430 
Hf       3.64838722       7.32358476      10.15521700      -0.33116144      -0.12821015      -0.22631892 
Hf       5.25132069       5.36698000       2.52084092       0.91921039      -3.02482198      -2.62421624 
Hf       9.10897419       5.29060036       7.56777902       1.05143100      -1.46830403      -0.82103489 
Hf       0.08416925       7.50153573       5.22311515      -1.02022333      -1.35061916      -0.23773585 
Hf       0.09854035      10.59729103      10.53220255      -1.49057002       2.52310929       2.77490536 
Hf       7.43979330       3.55292299       5.17545015       1.45252827      -0.24922109       1.07698638 
Hf       7.29157856       6.94338450       4.86774495       2.19487585       2.31447877       0.80773038 
Hf       1.53077900       5.79996529       2.30587120      -0.49560701      -2.36497958       1.43101765 
Hf       0.05411355       3.66242339       4.98267134       0.43677437      -0.20898929       1.15035693 
Hf      10.47537135       3.52446577      10.44799568       2.44066902      -2.28697465      -2.11540829 
Hf       1.68087785       5.24675861       7.62961950       2.28808237       0.19289203       3.17182161 
Hf       9.13981522       8.71125069       8.01192114       3.15065813       3.70018428       1.00136741 
Hf       1.77076744       1.54918026       8.05039652      -2.74638276       0.27373223       0.90387797 
Hf       7.38421823       6.90323821      10.59480332      -0.28267718      -1.23163624       1.93235258 
Hf       9.02599214       9.48810011       3.20230905       0.38339821      -2.17706215      -2.20307135 
Hf       5.31311373       9.18604976       2.33005707      -1.22567482      -1.22577892       1.46915202 
Hf       5.75786675       8.79304512       7.49053882      -6.43826195      -0.06025460       3.97871153 
Hf      10.83312923       0.22448099       5.68685842      -2.15681037       0.34439856      -1.92879075 
Hf       3.56847920       3.63282214       5.18283539      -1.49986839       1.68845650      -0.80896240 
Hf      10.82184082       7.00423128      10.45619032      -1.82386946       0.21931015       0.76838951 
Hf       2.03255515       9.01510888       7.79155497       1.50093962      -0.59070636      -1.42486492 
Hf       6.88757486       3.48804890      10.54819175       1.44186378       1.11731784       1.43323960 
Hf       9.27917215       5.24588016       2.85212985      -2.37122661       1.97856210      -3.67614222 
Hf       3.66168737       7.49786394       4.89010880       0.40909127       1.04278635       3.70108692 
Hf       3.56267131      10.89281500       0.07627285      -1.16286905      -1.37096607      -0.94573722 
Hf       6.97160617       0.15037099       5.34393691       0.41520554      -0.46761105      -0.04692743 
Hf       5.41824389       1.79409562       2.57480340      -2.98815083      -1.13040530       2.06039993 
Hf       5.14206132       1.78621825       7.81405231       0.28322937      -3.42371558       0.48680440 
Hf       1.76644859       9.27059787       2.61449208       0.74586342       0.94286229      -1.41943976 
Hf       3.25252065       0.16189254       5.11890748      -0.65277749      -2.34939087       0.11250193 
Hf       3.32536446       3.78642285       0.23711545      -1.36931160      -1.57448966      -2.63084667 
Hf       7.33994799      10.56731092      10.61827576       1.64745479       0.97671262      -0.33781369 
Hf       8.95289228       1.68594675       2.48812943       1.12869978      -0.46118550      -1.14308447 
Hf       5.43223624       5.13290824       7.61874486      -0.10156392       1.98402395       2.22882783 
Hf       8.81959348       1.40907220       8.20221754       1.76761924       0.59812598      -0.17111559 
O      10.94331229       9.17837246       1.86028354      -3.21985001       0.17618584      -0.72578715 
O       5.23995176       6.91683757       3.47553738       2.36105764       6.06133997       1.26211758 
O      10.93189833       5.68081813       3.92113536      -0.39421500      -1.34571226       0.37891891 
O       0.29672135       1.78525128       4.40767294       1.06277235       0.57431089       1.16865238 
O       1.53554125      10.54116026       3.98797912      -0.85377843       3.61244608       1.51231068 
O       1.88618660      10.78990934       1.38660545      -1.76118046       2.80400385      -4.88381488 
O       1.58666413       3.20128415       1.02027558       1.67655045       0.09481646      -1.15526998 
O      10.83480155       1.53045712       9.62470214      -0.37327544       0.21425863       1.27722330 
O       1.69003312      10.73636792       9.00719476      -0.48417635      -1.73887232       2.00114519 
O       1.64308786      10.76573054       6.43186820       1.47971742      -0.41861505       1.26081958 
O      10.88344510       1.87216095       7.12595902       0.22878711      -1.85958410      -1.10455402 
O       1.64552021       3.83826927       3.56446310       0.01064920      -0.29969115      -1.42846712 
O       1.66004096       6.96308646       0.58166023       0.78279598       0.36651261       1.74118952 
O       2.09380806       7.27179400       8.75973230      -1.05214914      -0.56061304      -1.42981981 
O      10.87729505       1.70480038       1.94202725      -1.82157925      -0.20467725      -0.70004214 
O       3.75791600       5.58592536       6.74583813      -1.45570302      -1.22162462       1.23504633 
O       3.01505022       1.94571318       6.64595401       2.40179826       0.85335710      -1.27785980 
O       5.48590388       3.40728521       9.02564862      -0.31624159       1.61259677      -1.14769515 
O      10.77627580       4.85680335       1.26327068      -0.66059094       3.25636081       3.56379963 
O       1.87675546       7.50480292       5.93861554       2.43459702       0.14388324       0.70957810 
O       0.10174761       8.56351199       7.10987734      -1.50019630       1.31469643       1.04190302 
O       3.24585710       1.88393164       4.08577123       1.48203663       0.01621056       0.30549080 
O       5.48502751      10.74698132       3.77449576      -0.28139184       1.61350283      -1.26830771 
O       5.44005105      10.35181549       0.63886806      -0.46180243       0.95198098       0.02560211 
O       3.66840701       1.26293373       1.55694559       1.90129773       2.49411646       0.98142399 
O       3.71580059       1.58159260       9.38601232      -0.20299340      -0.71214109      -0.03256866 
O       5.99356876      10.78945971       8.47798621      -0.82763215      -0.88446196       0.47068675 
O      10.61499384       8.86875129       9.82040127       0.43928981      -0.77574146      -1.60871053 
O       3.45025377       5.73472822       4.30987689      -0.57940638      -5.26930962      -1.83314778 
O       5.38263120       3.53021142       3.46098851      -1.57289686       1.64908054       2.70956134 
O       5.13070904       3.74314676       1.12542881       1.22916009      -2.08027999      -1.93892751 
O       9.21319862       6.99447003       5.88368008      -4.14459531      -0.50890770       1.60260198 
O       3.15112331       5.25324401       9.60709616       1.53249066       0.63667298      -0.22019700 
O       5.14264232       3.49741946       6.47366632       1.48358623      -1.44263688      -1.49819943 
O       0.20298729       5.33963514       9.53034224      -0.34829532      -1.18318959      -2.32432113 
O       8.97273064      10.93712029       6.67327501       1.90926385      -0.44690135      -0.46699027 
O       1.80071359       4.09246261       5.93348502      -0.57203112      -0.05613652       1.52558000 
O       7.04487716       1.50896988       1.76827488       0.57254472      -0.19808174      -1.95240380 
O       9.12267117       0.12171656       1.18075892      -0.69028009      -1.93497665      -0.13446299 
O       7.44836484       9.14307825       4.65933195      -0.04895237      -0.14389804      -0.66691125 
O       7.06900600       1.92356059       4.26859216      -0.65137849      -3.08746127      -0.57627171 
O       3.93735654       9.12575944       6.61957209      -1.57330156      -0.66858337      -0.44127230 
O       9.22693975       6.92001864       8.63526107      -0.49951084      -1.10140090       2.14585977 
O       7.34919726       1.67238026       9.83419112       0.29252562      -1.04851547      -1.29209412 
O       7.59790777       8.70848616       9.78690961      -0.50030272       0.16731696      -0.55101707 
O       5.15303277       7.06798402       8.63512842       1.10748919      -0.14760866       0.30061186 
O       8.92407296       7.16977326       3.48340306      -1.20895153       0.22669040      -0.20177634 
O       5.56400055       7.17295674       5.95626690       1.21604415       0.69979326       0.45917799 
O       7.19367750       9.25909473       2.01599510       2.60989400       0.39044785      -1.02567325 
O       9.07841331       7.09840062       1.02765455       1.06478373      -1.07495393      -1.83843581 
O       7.28871444       5.18939058       9.53406462      -0.46807156       0.99296842      -1.91821139 
O       3.60851001       9.14340069       9.27791433       0.33543060       0.28483746       1.10883421 
O       9.05214159      10.68399999       9.28694781       0.03211037      -0.54320483      -0.96275314 
O       7.29702654       5.07494958       6.58470036      -1.11757571       1.40900446       0.92914225 
O       4.82197203       0.40638072       6.22700273       3.98531725       0.66154998      -0.17583474 
O       0.01414069       5.75260995       6.69200054      -0.13685534      -1.91243552       0.80250633 
O      10.38149694       9.25684437       4.66792156       0.48739023      -0.17078229       0.31144399 
O       1.60885803       7.49232973       3.28232055      -0.50320682      -3.11463240       1.89660699 
O       3.41978995       9.20085461       3.90258467       2.96786120       0.12898092       0.86403511 
O       3.29280959       5.25985585       1.63542035       1.88317384       0.41513003       0.42935817 
O       5.50498572       7.24544558       0.87612583      -0.37323484      -0.66518763      -0.49361275 
O       9.25766486       0.30909319       4.10001632      -2.18809237       0.69006617      -1.38775453 
O       9.19267058       3.61978067       8.67608090       0.26900332      -0.87302929       0.93108655 
O       7.39024731       5.08194005       1.37384055      -1.26301023       0.57710527       1.20900893 
O       8.84950116       3.05553955       0.77426143      -0.45663496       0.33654638       0.62271467 
O       9.24581704       3.27681569       3.71239657      -0.22210346       3.21695801      -0.69702619 
O       7.28618317       5.11405275       3.95075710       0.59968482       0.88285392      -0.06471575 
O       3.48741575       9.09968570       1.45096245       0.66956903      -1.65437860      -2.03396296 
O       9.23130637       3.40475723       6.10481940      -0.73838994       1.84975842      -0.18195636 
O       7.18746512       1.41290121       6.90563186      -1.46257540       3.16815081       0.43304970 
O       1.70741678       3.31768431       8.73522544       0.05174077       3.13976058       0.01277873 
O       7.52328964       8.99441596       7.11600900       0.75823925      -0.37801622      -2.28553546 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025161379317762668 -0.0020719268880246542 0.00582396486059123 -0.0020719268880246542 -0.01806280478337635 0.0036859583040546643 0.00582396486059123 0.0036859583040546643 -0.02678872879106738" pbc="T T T" energy=-1060.88629763 free_energy=-1060.88630684 config_type=crystal 
Hf       1.69427506       1.96129174       2.63093260      -2.98568135      -0.41260081      -1.24656782 
Hf       3.71554213       7.38105030      10.13832391      -1.49276582      -3.03091138      -0.91331536 
Hf       5.29693446       5.32864989       2.48154838       0.81415693      -0.40127025       0.10093205 
Hf       9.04129690       5.31753963       7.58519665       0.14589838      -1.78684012       0.20038831 
Hf       0.15354319       7.53865685       5.19965939      -2.56937258      -1.98466848       2.43593743 
Hf       0.04816630      10.58138303      10.53601825      -2.33486201       3.87086631       2.67600289 
Hf       7.48958931       3.56956066       5.16733342      -1.63611316      -2.53397226       3.06550937 
Hf       7.29683613       6.98085161       4.90414280       4.81461828       0.34445188      -2.01242265 
Hf       1.48450853       5.73673722       2.34579638      -0.95286265      -3.08781218      -0.42088758 
Hf       0.10211616       3.72119916       5.02048581      -1.74540268      -0.01772409       0.47616883 
Hf      10.48864301       3.45427276      10.44978783       2.06434562      -1.56699435      -0.43285428 
Hf       1.65157197       5.24136366       7.60816273       3.48206808       1.04374633       5.74090487 
Hf       9.10619389       8.79806494       7.97889056      -0.07369231       2.28645710       0.72421897 
Hf       1.77024868       1.55450006       8.06051714      -1.68225326       1.73911356      -0.59247435 
Hf       7.40905701       6.87319346      10.58115462       2.60827386       0.78146548       0.68197417 
Hf       9.02229668       9.46666645       3.21761279      -1.28245967       0.11694284      -3.74886172 
Hf       5.30540926       9.09930410       2.37742946       4.03290586       0.35052057       0.38189303 
Hf       5.76114971       8.79180227       7.47701405      -4.06963515       1.27616978       3.79851824 
Hf      10.86614809       0.17447759       5.69524545      -0.08034228       2.47475109      -3.57367203 
Hf       3.55637994       3.62832251       5.17563690       1.90784124       2.40681803       0.62373263 
Hf      10.81240924       7.04720608      10.47386751       0.98564686      -2.72411015      -2.53535597 
Hf       1.99689359       9.02631720       7.78567947      -0.93461502      -2.63465072      -0.91238216 
Hf       6.86126873       3.53902772       0.03993751       3.27532330      -1.07749982      -2.10210989 
Hf       9.27666531       5.20159666       2.86893185      -2.85575989       5.92435530      -6.39967203 
Hf       3.64952007       7.50842443       4.96671423       1.71840305      -3.39867468       1.97992296 
Hf       3.56380679      10.87831133       0.08330404       0.16791241       0.02451150      -1.62268813 
Hf       6.93013180       0.10844446       5.43375600       1.13847370      -0.13103535      -1.28969326 
Hf       5.33716686       1.79428023       2.59132692       1.57076871       0.85069040       2.21579522 
Hf       5.11209447       1.77606226       7.81481420       2.06841590      -0.38055455       2.13173539 
Hf       1.81684301       9.15110834       2.60769239      -2.57430468       3.77351374      -2.63179370 
Hf       3.29873590       0.11155081       5.03835252       1.11436249       0.41010870       1.84420736 
Hf       3.23441400       3.77723110       0.31007301       2.06373571      -2.47481928      -6.69123532 
Hf       7.36870814      10.58020580      10.59033340       3.65738962       0.95213595      -1.20218362 
Hf       8.91720815       1.68222105       2.43602352       1.70532920      -0.44546828      -1.03334351 
Hf       5.49239859       5.15699446       7.60253149       0.48199625      -0.05468407       3.58199576 
Hf       8.82685391       1.39546824       8.18407894       1.73106130       0.84432855       0.35555634 
O      10.89859297       9.37259024       1.60971656       1.29631358      -1.50320665       3.91114459 
O       5.31924274       7.16912094       3.41984589       0.40105180       0.65947364      -1.23584798 
O      10.83386952       5.80994872       3.86696274       1.75405484      -0.92048187       2.85793177 
O       0.09606966       1.85253854       4.47491019       2.00606959       1.21780256       0.33969332 
O       1.56216827      10.73545473       4.04354572       1.26358233      -0.14923604      -3.23660504 
O       1.71602930       0.02744160       1.01043749       1.87315091      -0.12295638       0.04980009 
O       1.54615356       3.22098238       0.87098809      -1.41346149      -0.82625361       1.04066646 
O      10.52754020       1.44682734       9.77977723       1.25432848       1.96831296      -0.80169133 
O       1.68928285      10.61022229       8.79813190      -1.34236051       3.46499337       3.49890375 
O       1.70788033      10.71127002       6.38104171       1.66369520       0.30528492       1.03564158 
O      10.73696896       1.75825690       7.14012386       2.81530576      -0.14937774       0.14932745 
O       1.61988075       3.83794235       3.50857635      -0.39865852      -0.32586687      -0.74857083 
O       1.66992239       7.03850274       0.68830045       1.25303082       0.31593191       1.94136374 
O       2.06612335       7.28389479       8.68822347      -0.41275496      -2.02705965       0.15601120 
O      10.81171386       1.80584231       1.83561937       0.82480319      -0.24512770       0.92105381 
O       3.80850872       5.53877479       6.82491566      -2.64887446      -0.52813831      -0.26522991 
O       3.19030788       1.90188392       6.49734848      -1.10394924       0.26182608       2.48481354 
O       5.48588799       3.52270700       8.96369505       0.24239068       0.58287096      -0.11670182 
O      10.70189530       5.02224212       1.44392945       1.68776756       0.46642065       0.06623206 
O       1.97753839       7.39253788       6.02789945      -1.70782674       0.08126618      -0.65774730 
O      10.87765321       8.55201881       7.23855138       2.45651191       0.79121374      -1.82849935 
O       3.33261503       1.98569798       4.07999820       0.46132607      -1.98163618      -0.49274867 
O       5.46656851      10.93981284       3.75801549      -1.58407290       0.10403132      -1.73180673 
O       5.60083714      10.56868316       0.60169897      -6.75535018       0.14252877       2.51364286 
O       3.56908112       1.53390902       1.66924342       0.70121820      -0.30546714      -0.95156220 
O       3.75937753       1.54949623       9.47905487      -0.98377127      -0.63852055      -0.88966796 
O       5.81775871      10.63536105       8.56289151      -0.53672781      -1.39523522      -0.85960086 
O      10.71184160       8.87986802       9.92600570      -0.36557102      -2.32291634      -3.81091888 
O       3.46838354       5.54999867       4.30855124       0.67691598       0.23909413      -1.23543717 
O       5.44801332       3.67905526       3.66969775      -2.18506583      -0.76664468      -0.86900186 
O       5.19625320       3.59673111       1.04073513      -0.87370515       0.00307604       1.33825556 
O       9.09354661       7.05693281       6.03082158      -1.38398056       0.17096433      -0.89218615 
O       3.26266404       5.26971658       9.70922406       1.11414753       1.81588517      -0.44949707 
O       5.36886312       3.50767373       6.44788271      -0.91281454      -2.05429741      -1.94220675 
O       0.22096379       5.08901708       9.52671233      -0.78779853       2.51084631      -0.79505708 
O       9.28670089      10.82741403       6.56750179      -3.29649420      -1.21041002       2.47545444 
O       1.78770071       4.13052485       5.96593164       0.07770382      -1.32320508       0.32478346 
O       7.08296920       1.81406523       1.63406505      -2.77419713      -0.03711223       0.69977009 
O       9.08885405      10.94602697       1.06034139       0.61908454       1.22570089       1.03844069 
O       7.29846945       9.18147366       4.20282618      -0.23150514      -0.90206099       1.51875424 
O       7.03710344       1.83949892       4.49758567      -0.81532628      -1.38738239      -2.44032132 
O       3.63726261       9.02499886       6.71433282       4.09628666       0.12094505      -2.29875804 
O       9.37565057       6.94187564       8.62000655      -0.39785925       0.59882301       2.17818092 
O       7.25069428       1.65339406       9.78697338       0.57094897       0.32294759      -1.11094881 
O       7.67860112       8.76274246       9.78507621      -1.04499414      -2.25259502      -1.55850015 
O       5.17189374       7.07637205       8.64524840       0.94064990       1.38757102      -0.20526295 
O       8.76316558       7.10181374       3.25555492      -1.31861672       2.76812944       2.09542665 
O       5.65573459       7.17398058       5.80506236      -2.86634382       1.75728063       2.78385959 
O       7.38526781       9.54264083       1.78068721      -1.65711113      -1.62996740       1.14096889 
O       9.25152293       6.97762507       0.84244763      -2.39961392      -0.06838026       0.13695554 
O       7.25180532       5.40421408       9.34632077      -0.17482947      -1.45120327      -0.76296661 
O       3.47054264       9.10672153       9.33226572       1.15083144       1.90311599       1.47873285 
O       9.03093461      10.60921904       9.15668825       0.01591008      -0.51498973      -1.31898391 
O       7.22890378       5.08463139       6.59354986      -0.25711450       2.51896994       0.39233984 
O       5.07019423       0.56432877       6.29491237       0.03142188      -3.28285964      -3.36500830 
O       0.00537863       5.59908100       6.77341634      -1.44922379       0.19442176      -1.38285734 
O      10.46555707       9.35123086       4.62267848       1.16352967      -2.49622904      -0.14942772 
O       1.60591394       7.38118177       3.37677962       0.34790929       1.88808063       2.12977360 
O       3.64992501       9.16121109       3.85099193      -0.21313733       0.83475232       0.71453773 
O       3.23619928       5.11863323       1.59244326       2.41508891       2.88573144       3.73868425 
O       5.72118507       7.18916056       0.83351268      -4.00535411       0.89014311       0.90338264 
O       9.14554105       0.50539414       4.07763579      -1.15535981      -2.89894979      -1.09455373 
O       9.13901434       3.50391297       8.49258726       0.10408465      -0.33378551       2.28156894 
O       7.33766925       5.19098183       1.42994073      -1.79802093      -0.21744406       0.11887453 
O       8.92805985       3.12771351       0.90448007      -1.77877358       1.69341974      -1.34465347 
O       9.08120632       3.53050932       3.47046905       0.83281458      -6.30491052       3.37727606 
O       7.39234265       4.95979676       4.01694176      -1.23862877       7.29792276      -2.34829542 
O       3.48873420       9.15792232       1.42201607       0.73415107      -0.97599791      -0.75589668 
O       9.14264297       3.82988487       6.09026033       3.51578786      -0.50017199      -1.59069466 
O       7.27693072       1.35164391       6.91382395      -0.40355871       2.02450881       1.68111340 
O       1.77645865       3.42653578       8.85105879       0.41089388      -1.80546977      -1.93299320 
O       7.46693833       9.19120412       6.71697487      -0.47811086      -0.91832111       0.38103081 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.024188976013548885 -0.006068010832130101 0.001539588630851653 -0.006068010832130101 -0.015286761279646306 -0.0021367105820646864 0.001539588630851653 -0.0021367105820646864 -0.007872057840728168" pbc="T T T" energy=-1059.00463244 free_energy=-1059.00463527 config_type=crystal 
Hf       1.92393693       1.83867218       2.36572618      -2.97632915      -2.02883616       1.06728558 
Hf       3.45931745       7.21414966      10.40293265       6.10880581       1.48271744       3.24194960 
Hf       5.62230071       5.25978201       2.69418397      -0.86164491       0.27932259      -1.42081123 
Hf       9.10527676       5.23442818       8.00609347      -0.11187095       4.23786871      -3.29611547 
Hf      10.74954514       7.14449744       4.93924092       0.56185023       2.90315303       2.68482137 
Hf      10.92820057      10.67133595      10.49867273       3.30253399       1.25441267      -0.21797656 
Hf       7.15840389       3.94205634       5.39978625      -0.21131153      -0.83414073      -0.66128324 
Hf       6.85518761       7.08688772       5.28468183       2.06056837       1.95287026       0.97420452 
Hf       1.62474872       5.25955577       2.64035520       1.45375418       1.03222397       1.68613191 
Hf      10.54034218       3.34001559       4.97198005       1.12819399       1.25630699      -0.58482830 
Hf      10.87399511       3.59908654      10.53922130      -0.11899340      -2.80298087       0.22653493 
Hf       1.68032051       5.61351663       8.10259628      -0.21937433      -1.33130477      -5.06938981 
Hf       9.01283781       8.86329543       7.87598632      -0.27604541       1.02475266      -1.21267638 
Hf       1.94611614       2.13348335       8.21041410      -3.30565465      -1.35528859       0.03695294 
Hf       7.29060085       7.06611230      10.58887021      -4.35102404       1.10946047      -2.87002020 
Hf       8.83925018       9.06025582       2.56064429       4.06410993      -1.43274499       4.28606402 
Hf       5.20450439       8.98238057       2.54829520       1.10625973      -2.25303044       0.04256747 
Hf       5.25893149       9.21852105       7.91079470       1.10668961       0.08997238       2.62129867 
Hf      10.77629290      10.95187046       5.12566763       0.53024487      -3.05174371       1.39074676 
Hf       3.34434365       3.79630615       5.59368960      -1.22578896      -0.67837169      -1.95047226 
Hf       0.08739798       7.00451186       0.10230572      -1.69351440       1.98101867      -0.77227541 
Hf       1.83047929       9.19222993       7.73326394      -3.62517188       0.76250352      -1.09059836 
Hf       7.11444480       3.26748107      10.14468069       0.04335290       0.96026304       2.66036543 
Hf       8.87714940       5.46963882       2.46633509       5.58714119       0.07866628       2.42780069 
Hf       3.51479765       7.14054243       5.09155630      -0.32922749       4.34062735       2.83009035 
Hf       3.67607227       0.19104087      10.27388224       1.08106474       0.16574188       1.90768785 
Hf       7.33296792      10.50076374       5.37952206      -0.84880799       1.76089326       0.67569766 
Hf       5.52631771       1.40662243       2.52931022       0.80055957       3.16976486      -0.23954051 
Hf       5.51308473       2.02031631       7.51208433       2.10240431      -1.54207350       1.05555653 
Hf       1.78760364       9.10136153       2.53135534      -2.69407005       3.24862108       5.37297857 
Hf       3.65744586      10.90179508       5.12622895      -0.83475310      -0.42075571      -0.55627862 
Hf       3.58548696       3.77455564       0.19107243      -0.75976885      -0.80782361       0.01217151 
Hf       7.46097969      10.75943720      10.53982949      -2.22128207      -0.30112107      -0.70629294 
Hf       9.03303137       1.69276631       2.25480577      -1.32133973       2.30773634       0.86396455 
Hf       5.30972734       5.44216873       8.01684651       0.75090033       1.58000159      -1.59981750 
Hf       9.02508344       1.54826226       7.80039521       1.51064506       0.22639902      -0.21148108 
O       0.41877546       8.52251266       1.40791596      -2.98712753      -0.08308062      -2.37254611 
O       5.24167119       6.92151413       3.75704836       1.14991999       0.35556346      -1.54145781 
O      10.84806247       5.47909659       4.08457047       0.54229938      -3.73573727      -0.36997131 
O      10.49471427       1.36031449       3.75912017      -0.30585721       2.29596307       0.18868672 
O       1.89941455       0.18857697       3.60955898       1.14523167      -1.05472924      -0.36741075 
O       1.79603790      10.90546479       1.00486396      -0.28859164      -0.90526913       0.44935512 
O       1.75688126       3.53939551       1.12667166       0.10727237       1.27124366       1.50095782 
O       0.13009932       1.72014809       9.36300468      -0.90487602      -0.95621421      -1.10344654 
O       1.97436509       0.02973962       9.15308501      -0.50195803      -1.52514000      -2.99098473 
O       1.80679778      10.68705321       5.96154930       0.38098391       0.20845351       1.63861163 
O      10.72664447       1.90793645       6.47997612      -1.12418618      -0.56898662      -0.35385733 
O       1.61568406       3.36247923       3.94743692       0.02299260      -0.02037317      -0.89753713 
O       1.86283970       6.43438364       0.62907258      -0.32425860       0.17920507       0.48669632 
O       2.31644417       7.34004747       8.85106017      -1.70306798       1.21668156      -2.35143744 
O      10.91947620       1.83014097       1.11430195      -0.48820732      -0.07672886       1.45755923 
O       3.41440355       5.11812257       7.01229185       0.99082909       0.86748588       2.20761704 
O       3.56595702       1.71792479       7.13983007       0.83252474       0.05993104      -3.08242107 
O       5.49578871       3.64360668       8.82016220       0.83576173      -2.44952255       0.22332801 
O      10.91010444       5.26541635       1.30496038      -2.73855640       0.26913335       0.38391762 
O       1.71612900       7.27514478       5.96077594      -0.83248880       0.64951196       2.40780451 
O      10.81341862       9.50198246       7.13596930       1.77431006       0.07517826      -1.42492686 
O       4.09079839       1.74097238       4.22948360      -0.68029132      -0.06687175       0.62053011 
O       5.57009537      10.70490108       3.36604465      -0.55519501      -0.53870344       3.18177782 
O       5.11745184       0.01137496       1.06687333       1.09285377      -2.19787208       0.64730491 
O       3.58687706       1.75033418       1.48617112       1.48384423       1.30477416      -0.42772147 
O       3.50804349       2.14813503       9.49911285       0.72248652      -0.50898334       1.18384377 
O       5.50816406       0.18984414       9.26676823      -0.95392275      -0.09560408      -2.61748536 
O       0.19439855       8.84085469       9.34587233      -0.10752787      -0.64298073       2.54640553 
O       3.14308993       5.50800312       4.43354159      -0.99683755      -7.63148307      -1.39803695 
O       5.90467715       3.61087618       4.00577557      -2.55065242       1.19472265      -5.23359520 
O       5.40650487       3.61376615       0.85074272       1.97648476       0.24724265       0.90181781 
O       8.86500752       7.80196021       6.21911931       0.54705360      -0.58938730      -2.11482112 
O       3.85553812       5.35000894       9.62067109      -0.87301960       0.28286167      -0.33432236 
O       5.45832839       3.74470471       6.31913299      -3.39639003      -0.49530172       2.05120072 
O       0.13104877       5.35751270       9.19936474      -3.64233158       1.38769306       3.63808928 
O       8.90998617      10.94602555       6.54984745       0.83819595      -0.01177945       1.20638905 
O       1.52908433       3.73167276       6.66984259       0.46130983      -0.75857355      -0.14841067 
O       7.14491442       1.60702290       1.00990891       0.08986652      -1.29272508      -0.92850072 
O       9.14378163      10.62826835       1.40911661       1.50201782       2.24463325      -2.72873937 
O       6.77676554       8.93968504       4.46660192      -1.07669090      -3.65508939      -1.45649859 
O       7.48606454       1.60003758       3.54076299      -0.38736990      -0.24763302      -0.22478940 
O       3.50817781       8.89374927       6.62671287       2.58652839       1.38448465       2.96263471 
O       8.59906738       7.22462535       8.79059796       1.54219632      -2.78877164       1.57408249 
O       7.26967544       1.69140744       8.88981946       1.06036026      -0.35504146       0.99439083 
O       7.19598407       9.09793471       9.49802965      -0.05421341       0.29305016       1.44303130 
O       5.40697981       7.25920336       8.80424666      -0.25257650       0.54964521      -0.87475910 
O       9.15199008       7.27367854       3.35165086       1.14369122      -0.18559009       1.56023363 
O       5.15475735       6.54712263       6.14651378       0.36098957       0.70493648       1.19379135 
O       7.21193052       9.02014415       1.78907030      -5.61830263       0.69807696      -2.53248113 
O       8.81639838       7.41843195       0.97439040       5.76513540       0.12669042      -0.62682164 
O       7.25383021       5.29745158       9.57704574       0.40025399      -1.31989899      -0.33161338 
O       4.17940789       9.15279765       9.87408559      -2.05441857       0.01662016      -1.22905012 
O       9.28145899      10.75803779       9.42760328      -2.44672952       1.13246616      -1.45554169 
O       7.41821261       5.64151567       6.81744645      -2.44394513      -0.17055587       0.90722238 
O       5.69636995      10.92871868       6.34243442      -5.72263556       2.40777791       1.13034101 
O      10.77495374       6.08445481       6.94573837      -0.22907261      -1.03206340       0.54931730 
O       0.00194732       9.18473318       4.07271223       0.42649557       0.37722478       0.23645027 
O       1.47571327       7.16074595       3.61656689       1.42798739       0.91992956      -3.17453294 
O       3.92853280       8.90003013       4.28007870      -0.59961542       3.64411029      -1.58897111 
O       3.64544860       5.42660573       2.03082287      -0.30676942      -2.44430329      -0.64186886 
O       5.30595245       7.01106771       0.87585522       1.06832366       0.91952741      -0.12902897 
O       8.72015616      10.35320734       4.13792954       3.82979262       0.05096188      -3.01380205 
O       9.25395998       3.51304491       8.86790267      -0.43393976      -1.47853056       0.92628461 
O       7.35163344       5.72560275       1.56116169      -5.65975192      -1.26652798      -1.54959944 
O       8.68119389       3.40812521       0.98274501       1.47301422       0.90944127      -1.35501255 
O       9.31861200       3.77888951       3.38387501      -0.15305789      -3.26127791       0.79939212 
O       7.47795163       5.66041674       4.06383478      -0.72751323      -1.37497862       0.29026751 
O       3.37232396       8.50804636       1.86338487       2.56052891      -1.12136427      -2.96025136 
O       8.89199708       4.15468480       6.02600770       7.48094238      -0.96093482       1.35639388 
O       7.43279888       2.14334967       6.50984776      -0.45445460      -0.19506646       0.16545922 
O       1.63137930       3.61611906       9.41504363       1.24947757       2.66981605      -1.03247323 
O       7.01593283       9.16180939       7.02016964       0.50259839      -1.18843985       0.42115421 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.007507534708622807 0.0002309737548256203 0.004420496409730161 0.0002309737548256203 -0.007634894056743935 -0.002238113915436807 0.004420496409730161 -0.002238113915436807 0.008648423794301318" pbc="T T T" energy=-1058.69780929 free_energy=-1058.69783026 config_type=crystal 
Hf       1.79272765       1.95162723       2.32505942       0.06669860      -3.17204277       1.27743473 
Hf       3.50605246       7.25228377      10.50106085       1.77678490      -0.86694540      -0.20976497 
Hf       5.59308982       5.36367107       2.80055337      -3.65187742      -2.95374372      -3.99671778 
Hf       9.11169687       5.21653495       7.98860706      -0.07520280       1.83236267       0.27647953 
Hf      10.87053915       7.18354287       4.98802282       1.37746393       0.61788044       2.18392829 
Hf       0.03573694      10.59192588      10.45393187       0.38708138       1.78342855       0.59931254 
Hf       7.15133300       3.79899826       5.33602447      -0.48655040      -1.90164588      -0.40961358 
Hf       6.92270779       7.13510683       5.22463786       0.37690242      -1.24657806       2.32615365 
Hf       1.59402558       5.26178126       2.58740418       3.30370285       0.88196861       1.76816486 
Hf      10.56978796       3.32404251       5.00005326       3.04491061      -2.02335964      -3.29107146 
Hf      10.90015683       3.56273749      10.55562929      -0.19362412      -0.44462724      -0.58071292 
Hf       1.62278431       5.66172204       8.01755217      -0.10954347       0.90780677      -0.70886988 
Hf       8.99230441       8.88820674       7.87367569       3.32353395      -1.70397445       1.13773266 
Hf       1.83338318       2.04987176       8.22172442       1.75100139      -0.00155368      -1.50029960 
Hf       7.21196854       7.08083607      10.48503827       0.61007886      -0.12244793      -0.72589198 
Hf       8.95391031       9.09946789       2.63310899      -0.11551982      -1.30514774      -1.28949553 
Hf       5.22320321       8.87894761       2.53652029       0.56476873       0.68736078      -0.26450968 
Hf       5.27376197       9.06124000       7.93856977       2.86936767       2.28119995       4.24077583 
Hf      10.80521389       0.00180884       5.00172233       2.11198644      -0.01426800       1.93608101 
Hf       3.25724685       3.68234491       5.70543908       1.68879091      -3.34020214      -1.78480682 
Hf       0.00594812       6.92692267       0.21975872       0.50474387       3.57877084      -1.34873058 
Hf       1.82060837       9.35678883       7.81893102      -1.45576369      -1.94281017      -2.01422736 
Hf       7.24259220       3.45770933      10.20116054      -2.18637844      -3.10096390       3.13250241 
Hf       8.90928050       5.47906361       2.36838673      -3.59924288      -0.45127530       2.43579368 
Hf       3.49013701       7.19543451       5.08534120      -2.39027879      -0.73094333      -0.20844632 
Hf       3.64948731       0.22887325      10.28051495       2.03642228      -1.17232829       1.01311120 
Hf       7.23441914      10.50213017       5.52996588      -1.17343647       2.44139878      -1.96315406 
Hf       5.48202907       1.45555007       2.47566682       1.26509715       0.86175895       1.74143379 
Hf       5.43456866       2.02137641       7.57968541      -0.88797719      -4.09329560       0.91047459 
Hf       1.86337369       9.23201829       2.47505735       0.78096605      -0.42001871       2.09593910 
Hf       3.66313893      10.88326969       5.07772149      -0.58457908       3.36793743       3.04154357 
Hf       3.57222495       3.72505731       0.17994323       2.53417512       1.91183462       1.12998626 
Hf       7.32172093      10.69073596      10.55667624      -1.80469597       1.49367679      -0.43407856 
Hf       8.99793908       1.66239409       2.18134056      -1.02740786       1.58246465       0.77936721 
Hf       5.31615567       5.46111308       8.02830308      -0.37041690      -0.74889957       1.81955538 
Hf       9.06654314       1.55900801       7.81787269       1.68479318      -0.72582967       0.06922525 
O       0.45729194       8.67559406       1.31046195      -1.60984164       0.18931375       0.83719784 
O       5.30914909       7.11439857       3.76839652      -1.53089044      -0.10548076      -0.10620655 
O       0.08500947       5.09537715       4.24976512       0.36494721       3.44786463      -0.03323696 
O      10.85488423       1.71323902       3.67169420      -0.62372401      -2.01514289       0.18138277 
O       2.30363255       0.04707903       3.59445984      -2.26455027       1.07205670      -2.37278826 
O       1.77889187      10.82972301       0.92437575       1.64090690      -0.10435545      -0.42870792 
O       1.67740173       3.70422360       1.25963089      -0.02578388      -0.83906890      -3.10705284 
O       0.07396056       1.59566416       9.02786519      -0.10095126      -0.78687094       1.27377256 
O       2.12869471       0.10455650       8.72709691       0.32385592       0.38264180       2.73308196 
O       1.75291705      10.70816290       6.27102996      -1.05321247       0.41746922      -2.43017297 
O      10.76969607       1.79052977       6.29078683      -0.23521824      -0.71951429       0.20581179 
O       1.92683545       3.40591013       3.54883337      -1.25798568       0.05273265       1.99204787 
O       1.77380828       6.26401466       0.70791191      -0.29545434       0.60801241      -0.69905427 
O       2.33038689       7.45063843       8.56895992      -0.45792485      -1.48962682       1.98545737 
O       0.11055776       1.72729951       1.11828294      -0.92169834       1.61457790      -0.74800338 
O       3.43287120       5.28957915       7.28703577      -1.82439632      -0.01233418      -1.92420477 
O       3.59065546       1.61789761       6.77710004      -0.69653183       1.76260441       1.30205982 
O       5.57624946       3.36831658       9.01161536       0.85336293       1.95363916      -0.77170048 
O      10.46954440       5.14088103       1.48959568       5.67754007       0.21454316      -0.81809673 
O       1.68504529       7.46060499       6.17238987       1.84690730      -1.30049924      -2.19397381 
O      10.95266149       9.04858133       6.95973336      -2.60317501      -0.61568408       0.38411576 
O       3.97355462       1.92958803       4.30008259       0.64810177      -0.44096794      -0.45418596 
O       5.38190328      10.68890148       3.90314545       1.09373319       0.04649508      -1.95497310 
O       5.38993260      10.74140034       1.03524813      -3.73899327       1.49065605       0.20391805 
O       3.68622169       1.85768632       1.30727559      -0.86821859      -0.44674114       0.68221893 
O       3.82496935       2.04563278       9.45035774      -3.53003068       0.65611045      -0.69436744 
O       5.44610949       0.17932573       8.90325016      -0.08324644      -1.07643280       1.64229490 
O       0.27897350       8.89745919       9.67869959       0.17966672      -1.22260743      -2.64395744 
O       3.23224898       5.08021393       4.44115535       0.92560274       4.72729741      -0.03202968 
O       5.93126966       3.59273118       3.50843722       0.62725654      -1.03601456       2.92740319 
O       5.52953527       3.90700196       1.07800030      -1.32567971      -2.36546191      -2.18676065 
O       8.58893505       7.58730620       6.13029680       2.32719614       0.30099425      -0.10359769 
O       3.89446030       5.38327431       9.66958012       0.66952408       0.26351848       0.59302893 
O       5.09664520       3.83259867       6.57279716       3.35071625      -0.77108877      -2.15708303 
O      10.53178237       5.53027984       9.60857487       1.44351583      -2.86283481      -1.82821300 
O       9.31082064      10.83078848       6.40420081      -3.18341128      -0.48142782       0.48716908 
O       1.66447923       3.40884677       6.76080185      -2.20205467       1.77344482      -0.47120897 
O       7.12018991       1.64465139       0.92207957       1.04669713       0.05950197       0.41262721 
O       9.52144042      10.68701037       1.20812637      -2.20867884      -0.74585458       0.86999458 
O       6.98983926       8.65998866       4.03533195       1.63242351       2.57101406       0.30386987 
O       7.42044479       1.41836080       3.33203653      -0.82292933      -0.75199347       0.59514815 
O       3.73331123       9.43251539       7.07161060      -4.05557044      -1.96514977      -2.18902130 
O       8.88581165       7.08522197       9.06127926      -0.56186760       2.02129522      -2.80723892 
O       7.54671061       1.71608386       9.07622959      -0.07713896       0.11115485      -0.71758469 
O       7.14876688       8.96161632       9.71570466       0.22399897      -0.17456773      -0.65746684 
O       5.53946349       7.27865782       8.87699079      -0.08239482      -0.54227459      -0.19080071 
O       9.47713250       7.20898577       3.47740330      -0.96843355      -0.32370921      -0.54988410 
O       5.24293529       6.87444793       6.41119767      -0.63108348       1.84874187      -1.89412000 
O       6.99296150       9.53714125       1.67871429       4.49543617      -2.33841297       0.99136472 
O       9.21489801       7.27869113       0.88689726      -4.68644924       0.27231054       2.64059025 
O       7.22745824       5.25236907       9.59784351       0.53546169       1.56648357      -1.17630224 
O       3.85742967       9.17563630       9.90315452      -0.16761090       0.50794326      -1.49419953 
O       9.04137754      10.62518818       9.24527511       1.01999428       0.28088231      -1.43018449 
O       7.18535806       5.46288324       7.18215390       1.28148514      -1.79686031      -2.84447231 
O       5.29313810      10.88099040       6.56163033       4.51227210       0.27350672      -3.06311516 
O      10.67784677       6.05844921       7.05251401       1.03376420      -0.83627212      -0.82895861 
O       0.21083694       9.13961396       3.90518271      -0.45122634       0.21965776       1.04515721 
O       1.97108925       7.24887503       3.34445981      -1.68176110      -1.65493345       1.80262480 
O       3.56818054       9.06858402       4.22003113       0.72321596      -2.79326665      -0.39330118 
O       3.60880780       5.32851918       1.89234634       0.74040235      -1.08305625       0.35434054 
O       5.46029258       7.21974215       0.69996132      -0.91354091       1.26036906       1.99566301 
O       8.97167908      10.50467065       3.88914929       0.08132088       0.98451859       1.48993928 
O       9.52650735       3.34524380       8.74783217      -0.87845510       1.71348639      -0.58071780 
O       6.99118980       5.49869687       1.45992174       5.28708015       2.06874417       1.16277532 
O       9.02724123       3.58233788       0.59798446      -0.84250177      -1.38583813       1.09707373 
O       8.94135331       3.41531015       3.30653384       0.74837289       1.87841993       1.02377834 
O       7.38120138       5.44191247       4.24529371       0.43357304       1.56372954      -0.31431897 
O       3.43288698       8.10265245       1.66111628       0.25393756       3.41625043       1.61292169 
O       9.22927118       3.81865924       6.14171989      -4.86663110       1.97235423       2.02158551 
O       7.35424929       1.88002769       6.32024436      -0.63785350       0.01471791       0.35952878 
O       1.81232881       4.05412581       9.31956173      -1.20172967      -2.43081528      -0.06196785 
O       7.22679727       9.31729366       7.11882303      -1.74760326       0.25098865      -1.03924231 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009319774378273091 -0.0010378098946230735 -0.004378499747735178 -0.0010378098946230735 -0.004914046527572449 -0.0030272988739394797 -0.004378499747735178 -0.0030272988739394797 0.0009251048234993694" pbc="T T T" energy=-1061.76422258 free_energy=-1061.76422476 config_type=crystal 
Hf       1.69362504       1.97205184       2.31300369      -0.21009287      -1.36057884       0.80867915 
Hf       3.58194259       7.27243076      10.58457588      -1.40936778       1.95778622      -1.07106037 
Hf       5.50671590       5.37546280       2.79553414      -0.76571776      -2.78063204      -0.64811463 
Hf       9.12015162       5.25689510       7.96963568      -0.87826761       0.05835951      -1.74965143 
Hf       0.03029915       7.22599452       5.06805526      -0.97863625       1.61570913       1.27749608 
Hf       0.09297185      10.56381815      10.43094867      -0.05013759      -0.73137451       1.47237738 
Hf       7.12845468       3.65829868       5.28413454       0.86388095      -0.57506184       0.97617557 
Hf       6.99402138       7.16726455       5.22791829       1.20313793       0.79516394       0.24341621 
Hf       1.63520447       5.28203255       2.58291588       3.11524598       0.38421615       2.78253143 
Hf      10.64005394       3.28812951       4.96780062       0.11298406       1.13495961       0.57790468 
Hf      10.91997733       3.52409381      10.55159643       1.20192747       0.72281895      -2.71508922 
Hf       1.55151794       5.70205579       7.93831021       1.96234055      -0.65237875      -0.87323239 
Hf       9.03223059       8.88000223       7.88401324       1.06364847       1.81927234      -3.44872951 
Hf       1.77277458       1.99361829       8.20676027      -1.20025323       2.25457242      -3.86330028 
Hf       7.15580765       7.08813364      10.39325675       1.73126126       0.02416445       2.02872087 
Hf       9.03674994       9.10307570       2.68150145       3.88446366      -0.98912441       1.33500198 
Hf       5.24579251       8.81542045       2.52888516       0.52230998       3.45736661       1.72581384 
Hf       5.32306299       8.99448794       8.03455751      -2.24127213       1.89745552      -1.52299539 
Hf      10.86246008      10.94982640       4.95451054      -0.66876775      -0.10715941       0.69916463 
Hf       3.21571495       3.55314945       5.73990149       1.33112879       2.62190305      -4.24364195 
Hf      10.87878047       6.92498894       0.26745243      -0.39040364       2.46808598      -0.98630784 
Hf       1.76575223       9.43616823       7.83838911      -0.85385494      -3.49206018      -1.82723182 
Hf       7.29526679       3.54223958      10.30732012      -1.99484051      -2.23312496       0.40035522 
Hf       8.91139917       5.47456639       2.34323320       4.31704818      -0.38399323       5.85814035 
Hf       3.42768441       7.22034857       5.08131462       3.50791921       0.16282994      -1.83099054 
Hf       3.67530677       0.23738004      10.31728130      -0.30554125      -0.91899468      -0.49938933 
Hf       7.14556861      10.55082860       5.59691699       2.28350173       1.91145665      -4.81054364 
Hf       5.47580497       1.51401139       2.47109614       0.83530771       0.48838796       3.43420141 
Hf       5.37005974       1.94113270       7.65438687       1.45681487      -1.17027395      -1.60830628 
Hf       1.92445284       9.31496934       2.48231930      -2.34541391      -1.60848942       1.97562304 
Hf       3.65470993      10.92579979       5.09193916       0.23596262       0.71014304       0.08385817 
Hf       3.60462293       3.71452136       0.19155626       0.44490812       0.84530673      -0.94054827 
Hf       7.17947370      10.67077555      10.56320840       1.42303537       1.61291479      -0.57709891 
Hf       8.94532464       1.67768089       2.14842723      -0.05601922      -0.89751455       1.92519894 
Hf       5.31755190       5.45737128       8.06639784      -0.25371895      -3.25038176      -2.82054231 
Hf       9.15125997       1.55107631       7.81768668      -0.79440153      -0.77948717      -0.51538185 
O       0.14918818       9.00000253       1.47140085      -0.09100743      -1.38111053      -1.21615360 
O       5.14282638       7.25726667       3.70483521       2.62067927      -2.47547056      -0.70668585 
O       0.28548871       5.36441838       4.43133586       0.09044883      -3.00812667      -0.68625879 
O       0.01360910       1.70570666       3.66004300      -0.22995406      -0.10721369       0.15894069 
O       2.22044628       0.16082400       3.12468334       0.28256301       1.30945402       3.02909046 
O       2.13174705      10.69595189       0.85182485      -2.52416876       0.04218087      -2.12826256 
O       1.72083416       3.64128445       0.94403526       0.42039517       0.09676633       1.25430605 
O      10.93852233       1.32759483       8.99184936       0.33123298       0.27262183       0.97520326 
O       2.19236681       0.16555020       8.74951411      -0.69268184      -1.06539285       1.45629457 
O       1.49764707      10.79153565       6.14779213       2.13965335      -0.81655502       0.64922658 
O      10.69455106       1.63665538       6.14682053      -1.54656077       1.69370861       1.64737324 
O       1.89202385       3.38457463       3.65215225      -0.67371018       1.52523489       0.74090427 
O       1.81736835       6.29054889       0.61783305       0.10722196       1.97407235      -0.26224918 
O       2.23501644       7.39621877       8.70508457      -0.05553951      -1.54406883       0.51389714 
O      10.94368798       1.93128117       1.10619957       0.32779492      -1.75850277       0.66492289 
O       3.44177832       5.35477820       7.05955051      -0.21396330      -0.90142682       1.42842765 
O       3.49400020       1.84519418       6.66277526       0.06713753      -1.62650510       3.12433904 
O       5.83223509       3.48602960       8.90608778      -2.42808914       0.48118754      -1.45457827 
O      10.87779366       5.19458570       1.60285469      -2.78385528       0.22017902      -0.66686050 
O       1.94267990       7.41519292       6.04752495      -5.55003367       0.04599350       3.41562061 
O      10.71853549       8.59847028       6.87672353       1.67217308       1.39445380       0.25439397 
O       3.97005922       1.96115260       4.30690896       0.24727410      -1.35595278      -0.87416082 
O       5.34134581      10.62994615       3.98028021      -0.08271655      -0.46857342      -3.18138646 
O       5.07307128      10.67861533       1.13185606       1.89203879       0.88933317      -0.25867444 
O       3.49046317       1.92037250       1.32393293       2.14735096      -0.38807113      -0.41121135 
O       3.36550319       2.12632668       9.31519714       3.37790195      -0.40803407       1.70209707 
O       5.39058109      10.94222162       8.81462470       0.22504865       1.47322014       1.75267872 
O       0.38783769       8.74007516       9.50605540      -1.20128737       2.06282799       0.96633384 
O       3.55014762       5.38393770       4.59815227       0.88240835      -3.39840968      -1.68488045 
O       5.99260617       3.54418766       3.54504807      -0.92246912       0.36633476      -0.92354316 
O       5.53114241       3.74687761       0.89306899       1.71861554      -1.03732816      -0.36234204 
O       8.82742756       7.42519750       5.89163812      -1.21173481      -0.15556077       1.06869337 
O       4.03059944       5.52710665       9.77196811       0.69472851      -1.52045393       0.02831910 
O       5.35439912       3.75257834       6.30482965      -2.88025654      -2.10240897       0.48987441 
O      10.34636182       5.34132521       9.71896479       1.52251585       1.82032130       0.06444492 
O       8.99437356      10.69344373       6.39658779       1.18032406       0.86043251      -0.44468550 
O       1.40471171       3.48245367       6.64784459       0.08506496       0.27077004      -0.94516337 
O       7.37207273       1.65187742       0.87912884      -1.68344809      -0.16870212       1.52182956 
O       9.48699235      10.75446723       1.04238061      -0.24048404       1.37394045      -0.84078954 
O       7.37842294       8.79868285       3.87907194      -1.47022150      -0.95793950       2.42242954 
O       7.28170030       1.16804031       3.27431766      -0.69728905       0.44190513      -0.16279998 
O       3.53695462       9.45234816       7.08955841       1.86517686       0.03582562      -1.70085782 
O       9.04449320       7.26679379       8.83191979      -0.94311647      -2.21046580       2.08571209 
O       7.51305487       1.76454915       9.28393534       0.32814493      -0.66593343      -2.54260078 
O       7.12034965       8.87124663       9.71391984      -0.28354357       2.30311096      -1.10851308 
O       5.60097036       7.21593856       8.83472574      -0.16646202       0.50129544       1.52355787 
O       9.58383090       7.04004491       3.54307054      -0.58899670       0.42608333      -1.51278505 
O       5.13837057       7.50740650       6.27260199       2.01189096      -0.28651881       0.89291864 
O       7.60648566       9.55343381       1.57395731      -4.57124370       0.37653840      -2.21189454 
O       8.92896602       7.20119846       1.20813317       1.62777751       0.61796546      -2.82312124 
O       7.33153630       5.44490521       9.36220474       0.30814323      -1.71347771       0.46993179 
O       3.53284579       9.23683937       9.57659210       1.77080030      -1.36341247       1.42878804 
O       8.93749921      10.66591021       8.84072666       0.50987681      -0.11399199       2.38444915 
O       7.06305459       4.98953792       6.90099602       0.42197162       3.84390747       0.86651418 
O       5.46577792       0.08719179       6.21415100      -4.00421173       0.44062813       2.82983219 
O      10.78862300       5.82518940       6.95831131       0.34144845       0.22886462       0.57799420 
O       0.29566278       9.15893213       3.98872357       0.48177669      -0.96796988       0.93623784 
O       1.96630630       7.08467593       3.37664442      -1.33116678      -0.03760425      -0.71692861 
O       3.43187913       8.94014892       4.02354588       0.20560242       3.28609708       0.88658331 
O       3.73465520       4.97809372       1.83817798      -0.59710180       1.41375952       1.08901541 
O       5.57101513       7.59176277       0.98602055       0.09475470      -1.78133677      -1.41908241 
O       9.30688951      10.75936346       3.80098227      -2.19560720      -0.20171345      -2.14573660 
O       9.51173001       3.36194655       8.63630240       0.42803406       0.44236531       1.69541298 
O       7.29728050       5.65788744       1.57501500      -6.00372186      -0.85934040      -2.12802723 
O       9.10280520       3.44992334       0.52573054      -1.90568771       0.80937724       3.08842921 
O       8.84441331       3.33575897       3.51852797       1.47894148       0.85731789       0.11285071 
O       7.40024127       5.48173578       4.25343191      -0.78147079       1.07487235      -1.03327865 
O       3.47232989       8.44952149       1.69364070       0.31819789      -1.02264414      -2.37579897 
O       8.97959249       3.85206540       6.45851840       1.60056087      -1.74786222      -4.18100296 
O       7.09904264       1.71749521       6.22631068       1.04908494       0.93614335       1.38607814 
O       1.84063298       3.91772712       9.11269545      -1.71073451       0.48303247       0.24045031 
O       7.11525336       9.30191878       7.11578260      -0.60895906      -2.00864248       0.09907767 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02619004113232408 0.0007342589229722956 -0.011455710164360927 0.0007342589229722956 -0.013027241503235896 -0.0005490572253892672 -0.011455710164360927 -0.0005490572253892672 -0.004283509053186155" pbc="T T T" energy=-1060.03628343 free_energy=-1060.03628633 config_type=crystal 
Hf       1.52717590       1.98953850       2.35095825       0.86095046      -2.96525003      -0.88479005 
Hf       3.67421720       7.40711725       0.00561360      -2.82272941      -1.24504210      -1.18522108 
Hf       5.32521902       5.21271678       2.76759316       3.08161498       1.85542684       1.34794377 
Hf       9.05225104       5.33583045       7.81274696      -0.19422100       0.13039569       0.21070374 
Hf       0.14773881       7.29855129       5.31140462      -0.62027438      -0.69377757      -1.99912341 
Hf       0.10038008      10.53849719      10.45070384      -0.87896124       2.37578114      -0.69704406 
Hf       7.14408319       3.25111675       5.18207510       0.15311143      -2.29535827      -0.32195555 
Hf       7.21964968       7.28685466       5.29216156      -1.88830672       1.59152321       0.23957116 
Hf       1.85513774       5.32970462       2.74300052      -3.09570114       2.11152918      -0.37890888 
Hf      10.81813353       3.33994887       4.93322448      -2.04321984       3.23861758       2.72384161 
Hf      10.93101386       3.50535785      10.38199235      -1.42269385       0.61482092       0.04584089 
Hf       1.53690604       5.68222444       7.71939118       3.56655266      -3.24419814       3.09676005 
Hf       9.15324761       8.94735687       7.72410557       0.03417816       0.11303110      -2.26203817 
Hf       1.49986238       1.97301827       7.95897819       1.31340193      -3.00499771      -1.73402222 
Hf       7.19473990       7.11638741      10.27239184      -2.46317352      -1.01548915      -0.80592725 
Hf       9.33761945       9.02984898       2.75422772      -3.57533715       1.26686032       1.31548858 
Hf       5.36372421       8.92790986       2.55330444       3.32255132       1.29644011       0.95854997 
Hf       5.27303647       8.95440202       8.15816640       0.73176171       1.33178379      -4.92808508 
Hf      10.90381832       0.02340695       4.90683629      -0.38749820       0.59620127       1.93512818 
Hf       3.20950739       3.36997017       5.49373693       3.93723660       0.46282926      -0.27206145 
Hf      10.70649879       7.12031722       0.28629732       2.59202305      -2.31484862      -0.71296201 
Hf       1.68483921       9.35435332       7.73306177       0.90752138       1.20883617       0.66576304 
Hf       7.32537070       3.55769302      10.55632145      -2.50539950      -2.09746775      -3.63719440 
Hf       8.94178695       5.41928789       2.59510298       1.46516132      -1.42008910      -0.74248257 
Hf       3.44827654       7.31609820       5.04965614       4.80463456      -2.10582638       0.96437406 
Hf       3.74704031       0.23114585      10.43343055      -2.37215221      -1.59759345       1.67412422 
Hf       6.98937297      10.77848070       5.46604159       3.69900112      -0.82254480      -0.95991343 
Hf       5.44515073       1.67418965       2.61941576      -2.60810211      -1.77977879      -0.40940274 
Hf       5.34438512       1.67933754       7.81776821       1.26343379       1.53166453      -0.55589701 
Hf       1.92739628       9.39972814       2.59697645      -0.09223349      -2.59344471       1.90385357 
Hf       3.57498662       0.05278820       5.10284844      -1.23502907      -0.10380428       1.17035635 
Hf       3.77708735       3.67727830       0.14741116      -2.51875477      -0.26515454      -1.17714242 
Hf       6.95368807      10.81881960      10.54910733       3.74047765       0.39977038      -2.13662852 
Hf       8.79455211       1.62635575       2.16582711       4.35608551       0.86222081       1.82315462 
Hf       5.29003591       5.28865052       7.97413908      -0.80533737       0.29427840      -1.26912618 
Hf       9.22989929       1.48427319       7.88956413      -2.63427417       1.63922757      -0.29395504 
O      10.86930156       8.95573876       1.44482123      -0.21526476       0.60613106      -2.01596225 
O       5.39278325       7.30740549       3.60980206      -0.04475229      -2.13071371      -1.36194174 
O       0.32883579       5.41564184       4.33243588       0.46538514      -2.15240730      -0.01346727 
O       0.24421625       1.80950655       3.98160937      -0.76692144      -0.31292336      -2.01985614 
O       1.86097904       0.19588232       3.65259569       1.16745473      -1.33029433      -1.35944644 
O       1.83676847      10.62848846       1.01457153      -1.39676147       0.31780152      -1.69152370 
O       1.63017107       3.70750273       1.14361493       0.80438195      -0.26298321      -2.21133055 
O      10.90022476       1.64663870       9.25671830      -0.31516586      -1.41211676       0.71640226 
O       1.80090126       0.06562315       9.06288668      -0.25421875      -1.76599705      -0.12338018 
O       1.57795028       0.09963890       6.16103767       1.91170570      -1.55084769       1.49533050 
O      10.70174739       1.62519255       6.32839213      -1.99282095       1.44638503       3.02474305 
O       2.05254908       3.39006600       3.53124185      -0.49648373       3.17622344       3.02108331 
O       1.76382134       7.09192639       1.49652579       0.39478500       0.32257474      -3.62656336 
O       2.11233312       6.85202910       9.10927674       0.75353231       2.34297550       1.38199158 
O      10.76775762       1.85809082       1.21038577       0.92085022       0.60889422       0.44729299 
O       3.50177600       4.89361441       7.16259155      -1.12314517      -0.12595074      -0.38684500 
O       3.36340085       1.80819511       7.04561122       0.66617786      -0.54781445      -0.74250428 
O       5.42406602       3.52633169       8.50938555       0.07694110      -2.11103185       1.36631071 
O      10.83222054       5.37930934       1.62820145      -0.44785759       0.89392817      -0.83333023 
O       2.11286329       7.03276574       6.34862932      -3.93466699       0.31913894       1.60353005 
O       0.05246303       9.01746760       6.74662319      -0.34359257      -1.94445098      -0.17624301 
O       3.81636702       1.90446001       4.15848486       0.17499109      -0.69854107       1.05420905 
O       5.10000255      10.82025154       3.72835453       1.83104109      -0.67968633      -0.86403526 
O       5.37108062      10.82565877       0.91364673      -1.54188467       0.09238857       2.97553145 
O       3.39726661       1.51655921       1.62543015       1.10361210       0.55818460      -0.88018826 
O       3.72714530       1.90052231       9.53588175      -1.56245663       1.94926225      -0.51274303 
O       5.36966368       0.10143821       9.16117028       0.65917011      -0.96366800      -1.09291540 
O      10.88774883       8.83551090       9.32416302       1.06447765      -0.02243248       1.95159051 
O       4.01935289       5.18451374       4.58694729      -0.73043170      -0.23436765      -1.52498175 
O       6.04895605       3.38965701       3.33902765      -0.26729755       1.11060321       0.09024443 
O       5.35652425       2.91661177       0.68813188       1.98774504      -0.65172019       1.57526073 
O       9.16732629       7.06186992       6.19613973      -1.69801169       0.87191819      -1.11851783 
O       4.39287229       5.35985225      10.04457687      -1.50077705       0.57411086      -0.24704173 
O       5.34840958       2.74842698       5.91517051       0.23094458       1.86300929       0.28128325 
O      10.86489933       5.51598610       9.38515977      -1.99905159       1.55154624       1.61488700 
O       9.20549382      10.50914289       5.81905502      -0.96531723       0.78673913       1.33093413 
O       1.49372285       3.20377006       6.43415886      -1.22062302       2.92468944      -3.01530233 
O       7.11793790       1.53561082       1.35119664      -2.64581450       0.03515482       0.33460833 
O       8.90692770       0.71650147       0.31672114       0.92618063      -2.92707087       0.46551286 
O       7.61130466       9.24881987       4.27186748      -0.27153674      -2.09878420      -1.72931080 
O       7.44210940       1.29340050       4.17233572      -0.25552294       2.19845754      -3.38117847 
O       3.38244029       9.15257239       6.92663561       0.94572124       0.55940873       0.15017731 
O       8.76563638       7.28418918       8.74851360      -0.38376672      -1.83105078       0.99282236 
O       7.24914674       1.94889086       8.97979596       0.22419027      -1.88602694       1.39371193 
O       6.98175329       9.02808342       9.32576332       0.14379327      -0.01946523       1.91719373 
O       5.25960321       7.08771534       8.68644024       0.70744480       2.41575368       2.02207139 
O       9.90646647       7.34746786       3.45649766      -1.88897425      -2.94631913       0.15475457 
O       5.19165179       7.65994108       5.88668341       2.51802820       1.07789703       2.22990852 
O       7.21950747       9.01307315       1.67396886       2.09525020       1.35473865      -1.11039985 
O       8.70963424       6.94990288       0.81265816       2.75590926      -0.29605210       1.71582316 
O       7.31907626       5.14083732       9.29814769       1.11880369       2.27340180      -1.83024972 
O       3.89694030       9.10809147       9.49629213      -2.37515031       0.26178271       2.34664870 
O       9.17908449      10.63041518       8.74447713       0.24984689       0.79481392      -0.28580159 
O       6.70317398       5.90019570       6.64458404       2.06470574      -2.18301312       0.11920209 
O       5.35891496      10.83114093       6.51837158      -2.10197692       0.06602339       0.52085999 
O      10.85800121       5.73257635       6.80412682      -1.73795257      -0.91296069      -0.11757326 
O       0.19772052       9.14713263       4.23390675       0.79434025      -1.08755524      -1.41089427 
O       1.96473466       7.27118725       3.79742028      -1.93316435      -1.39686877      -1.45857501 
O       3.38727266       9.05571982       4.30891901      -0.19342337       4.61095094      -1.96906485 
O       3.65732480       4.96517385       1.86044776      -0.25556646       0.13253434      -0.63528635 
O       5.33891632       7.56379846       0.87454051       3.16126029      -1.46691402      -0.41474670 
O       9.76996260      10.93464895       3.08668105      -1.04422732       0.58586210      -1.06490026 
O       9.30226630       3.42034827       8.96644264      -0.13701972       1.23706501      -0.47140845 
O       6.57968529       5.06330926       0.89786522      -0.95419748       3.14910064       3.33657692 
O       8.68421489       3.75213879       1.20789412       2.86745511      -0.48319525       0.39476055 
O       9.21005513       3.60359855       3.51141143       0.35081744      -0.51758963       0.86715845 
O       7.30256031       5.59069440       3.67304557       0.16346208       1.18977860       1.77163051 
O       3.73231665       9.00231403       1.63072435      -4.45000249       0.25561223      -0.92248183 
O       8.84286347       3.68233746       6.12174683       1.72420598       2.08540771       1.30854126 
O       7.44889588       1.64331323       6.49498161       0.31095228      -1.02848438       1.84076200 
O       1.19205706       3.68025286       8.80597642       2.27386716       0.97226303       1.01879813 
O       7.43966435       9.06627340       6.71062255      -2.00557452      -1.02092219       1.15126402 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0019837378718040523 -0.0008465544449916867 0.011679447657060707 -0.0008465544449916867 -0.0011232530774924164 -0.005354586915465245 0.011679447657060707 -0.005354586915465245 0.0130942749804479" pbc="T T T" energy=-1067.53863586 free_energy=-1067.53864003 config_type=crystal 
Hf       1.54140326       1.61739550       2.52194060       1.96637113       3.17428899       1.28601235 
Hf       3.53291536       7.08647852      10.29073952       0.27299594       0.73181311       3.88542402 
Hf       5.33689231       5.33318063       2.76555717      -3.17711408       1.47799078      -2.95988162 
Hf       9.26555428       5.30960979       7.86326968       0.59834333       2.03836135      -0.17766707 
Hf      10.72133683       7.10296828       5.08649041       3.47339962       0.38913875      -0.12478379 
Hf      10.73148165      10.89965198       0.19469448      -0.77663196      -0.67071037      -2.09855061 
Hf       6.91639670       3.85854007       5.32418440       1.44614168      -2.01070923       0.31646025 
Hf       7.23585229       7.37252905       5.27041516       1.56656547       1.19538052      -2.45515877 
Hf       1.61626889       5.41916464       2.50656968       0.89942180      -0.01776749       0.05174772 
Hf      10.89261308       3.41988943       5.17873876       1.17258677       3.24004732       0.19388502 
Hf      10.88183588       3.59635937      10.61868774      -1.18716714      -0.42775167       0.15887635 
Hf       2.06527097       5.21608981       7.85677090      -4.12665526       1.23260580       0.48980254 
Hf       9.35297878       9.29483244       7.90231542       0.69948185       0.79253847      -2.17631724 
Hf       1.93308705       1.61048752       7.71278047      -1.46196681      -1.59395117       1.35863386 
Hf       7.24259111       7.35768772       0.09433960      -1.21162404      -0.55605239       0.86073784 
Hf       8.82766772       9.02024692       2.65771576       2.14856454       1.62953986       0.19821490 
Hf       5.09479462       9.00541293       2.20741403       1.41065060      -0.04558064       3.17876779 
Hf       5.52494175       9.02783976       7.75855511      -0.92675101       0.51969661       1.97297101 
Hf      10.92011822      10.90105708       5.18904591      -0.56291622      -1.02739114      -2.13180287 
Hf       3.46661842       3.42476135       5.01841507       0.04511036      -0.36996088      -3.69559508 
Hf      10.93777601       7.44450471      10.43835390      -1.83706838      -1.63158202      -0.23688786 
Hf       1.85476512       8.97707283       7.78030566      -0.29850687       0.05913884       0.01329319 
Hf       7.13329493       3.62636369      10.47929851      -1.34087771      -1.05320858       1.45510050 
Hf       8.82197169       5.36878314       2.70836061       2.37369623      -1.99454271      -2.21910407 
Hf       3.73811599       7.03460317       5.26984374      -2.39700718       2.47910556      -2.49160136 
Hf       3.35432084      10.78330002      10.61106983       1.72115125       0.41157682      -0.15980403 
Hf       7.33195405      10.80306881       5.44037723       2.75060514       2.21796991      -2.49864131 
Hf       5.42735677       1.63683955       2.54776205       2.03874656      -1.64876857       1.14324268 
Hf       5.54991551       1.70382453       7.75698553      -0.78664551       4.61376170      -0.25873689 
Hf       1.64551188       8.99992858       2.73008969      -1.74281956      -0.93893926       0.81857508 
Hf       3.63642524      10.92550441       5.36591343       0.35555685      -2.97423555      -5.89891177 
Hf       3.59288982       3.31735694      10.48116528       1.92661053       0.08087353       0.78953357 
Hf       7.18537263       0.15824573      10.45524848       0.44673098      -2.11538504      -0.51344282 
Hf       8.84938689       1.77224968       2.42226407      -1.45169079      -1.44004788       0.86611095 
Hf       5.58643800       5.45025634       7.99223293       0.05581623      -1.69962105      -0.50305838 
Hf       9.10176274       1.84335018       7.78350467       0.86051974      -0.75194389      -0.48241777 
O      10.67223719       9.36002272       1.49533130       0.92634502      -0.74835652       0.61870349 
O       5.24763389       7.53143235       3.68282797      -0.36599992      -0.25588335       0.20654539 
O      10.83666834       5.33217312       4.14076589      -1.28100646      -0.18204930       0.20084516 
O       0.05504963       1.93572953       4.00478123      -1.82922047      -1.58873063      -0.42067026 
O       1.13862257      10.85450800       3.38804806       0.69376290      -0.18717047       1.20860114 
O       1.67927444       0.37494237       0.98957893       0.45993106      -1.94205280      -2.49030340 
O       1.88142995       3.17848504       0.80329305      -2.30039681       0.62918738      -0.31532466 
O       0.02480953       1.68119710       9.44635486       0.42078601       0.57468768      -0.99458630 
O       2.13153790      10.70947904       8.86099414      -0.35373153       0.24905580      -1.14095604 
O       1.80576989      10.91113540       6.09480168      -0.54918018       0.73019623       1.35432036 
O      10.91272457       1.53425753       6.71955272       3.27401661       2.62777502       0.78844869 
O       1.73120642       3.64085410       3.48320089       0.09771898      -0.01364707      -0.45457264 
O       1.40261824       7.34153957       0.97346834       2.37861935      -0.37211387       1.13191543 
O       1.74039895       7.32584531       9.03532494       1.73583902      -0.13119837      -2.28822381 
O      10.48791125       1.60285984       1.27165037       1.43544511       2.48930616       2.35185983 
O       3.67257928       5.79919420       7.09055446       1.76812345       0.71756717      -0.94026245 
O       3.64938159       1.72768418       6.41429507       0.26477491       0.01031243       2.45822681 
O       5.30170722       3.55904148       9.02598981       1.17763061      -0.14780097      -1.29204883 
O      10.64512843       4.79641530       1.65458816       1.39525091       1.16524579       0.64343721 
O       1.64989274       7.04435544       5.87120493       1.59375166       0.51691010       1.81585778 
O       0.10842299       9.14305185       6.73715583      -0.29892048      -0.07376478       0.52916415 
O       3.25893944       1.73639124       3.77875629      -0.30481873      -0.84874638       3.26608799 
O       4.83977860      10.73919204       3.39223281       1.04289336       0.30735762       0.45046567 
O       5.52276972      10.80729925       0.87542506      -1.22060424      -0.86387212      -0.41986830 
O       3.91992138       1.64766068       1.56130497      -4.71458731      -0.01668190      -4.75684050 
O       3.67145629       1.51751501       9.47065923       0.20742658       0.48541217      -0.18655301 
O       5.56842666       0.05438854       8.52467345       0.27265671      -4.26906417       1.01519700 
O       0.18460060       9.14615261       9.59764251      -0.35264515       2.42406693      -2.31064660 
O       3.51106461       5.46558871       3.99049394       0.95858861      -1.06395955       2.93619955 
O       5.15661264       3.37090099       3.57850518       1.69397012       1.27372558       1.57374479 
O       5.39660755       3.65886927       1.06550687      -0.22948990       0.55395128      -1.35583169 
O       9.05952648       7.03534533       6.08427588      -1.05611328      -0.16373872       0.96648910 
O       3.39621439       5.28649383       9.68001163      -0.04033907      -1.36303394      -1.71996138 
O       5.02423447       3.77769059       6.29987845       1.99237766       0.58751980       0.18546188 
O       0.27307063       5.44712227       9.70651589      -1.21000145      -1.47373541      -0.77455547 
O       9.30105380       0.11430406       6.39472399      -3.64396509      -0.96848623       0.15780996 
O       1.82997060       3.80156163       5.97990484      -1.12743590      -0.30782577       2.57430175 
O       7.19720172       1.87341322       1.09129973      -0.67945296      -1.09574001       2.06318708 
O       8.82672101      10.89031966       0.99816131      -1.67546609      -0.27452398       0.95829300 
O       7.44799639       9.21848314       4.35260239      -0.26815295      -1.79689321      -0.42351996 
O       7.35475305       1.24121203       3.91179491      -1.83100199       1.77680648      -1.00010305 
O       3.65612293       9.20759572       6.72594181       0.27968962      -1.46282984       2.72594677 
O       8.98990165       7.62783507       8.61455408       0.04000978      -4.89660737       2.13884003 
O       7.28639320       1.66882406       9.14677596       0.18169133       2.55273523      -0.57913523 
O       6.91669525       9.04595923       9.85399561       0.10611321       0.95342046      -1.31986485 
O       5.30939636       7.11091445       8.96911711       0.73558303      -0.23679061      -0.91050294 
O       8.61304560       7.12308832       3.54192537       0.51028390       0.07537705       0.74589403 
O       5.61552048       7.13548920       6.29412976      -1.27088971       1.22407936       2.72537285 
O       7.03404913       8.69388072       1.86612056       1.61241066       0.05656193      -1.39883331 
O       9.16338892       7.33361662       0.89964930      -1.06519926      -0.57656530       0.02825476 
O       7.23203522       5.37835244       9.57733740       0.25681584       1.81840606      -0.80845782 
O       4.04976456       8.91206014       9.54965247      -1.37425477       2.47335225      -0.05678693 
O       9.04226815      10.75865384       9.07880297      -0.26831998       2.01767007       0.85479972 
O       7.46367070       5.18755359       6.86794801      -1.33912112      -0.48814314       0.52069871 
O       5.46734113      10.57159296       6.01145193       0.82613208       0.74779572       1.52577063 
O       0.05258891       5.41281728       6.89545342      -1.30265062      -0.94546639       1.29561341 
O      10.75292210       8.87760462       4.05381387      -0.54656849      -0.97881944       1.15006027 
O       1.77205675       7.18393345       3.36556592      -1.17629540      -1.13206663       1.07779233 
O       3.15253751       9.01782181       4.40482129      -0.65251591       0.24615442      -0.66833284 
O       3.41937582       5.67994724       1.60297735      -0.10250925      -0.75958283      -0.74044298 
O       5.30385668       7.12939963       1.02766667      -0.15156771       0.73067926      -1.41419813 
O       9.18623722      10.83064243       3.67772562       1.50007686       0.52237044      -0.66743189 
O       9.25601270       3.55522244       8.91187750      -0.01538856       0.95511613      -0.64384378 
O       7.08637542       5.38337281       1.76138931       1.11781992       0.59146090      -0.37266919 
O       8.84192465       3.59300300       0.89110634       0.62353852      -0.27580888       0.08951016 
O       8.45684010       3.79134264       3.91765308       0.05270945       0.08162969      -2.71888721 
O       6.42259564       5.60122224       4.48420833       1.31004155      -0.75605467      -0.02541957 
O       3.24774865       9.21822009       1.62662751      -0.00674497       0.65232516      -3.23193949 
O       9.11760007       3.20802274       6.02814020       0.35384076       0.91755254       2.90944525 
O       7.17412717       2.07970999       6.52843129      -1.40635511      -2.02271190       1.61806743 
O       2.31828467       3.39152402       8.56563730      -0.71909623      -0.57714038       0.02827400 
O       7.53069732       9.27370598       6.82242209      -1.47456679      -1.75403548       2.08041686 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009971621625599994 0.004570511162710383 0.0016584389108569371 0.004570511162710383 0.00911804075801928 -0.012067080725685747 0.0016584389108569371 -0.012067080725685747 0.007817789741399277" pbc="T T T" energy=-1064.48209732 free_energy=-1064.48211933 config_type=crystal 
Hf       1.47618274       1.60212053       2.39038717       3.48489602       1.37650350       1.87916849 
Hf       3.46035695       7.14775269      10.28788924       1.53429763      -0.62052437       0.78963190 
Hf       5.33610380       5.36237925       2.75685245      -4.01504820      -0.23732833      -0.97560151 
Hf       9.20393828       5.26687043       7.87636727       1.53890766       4.30247664      -1.26316573 
Hf      10.69723900       7.07955224       5.04580653       2.93711060       2.00508422       3.10530409 
Hf      10.73920892      10.83161105       0.22550773      -0.88795420       0.16050518      -1.02106750 
Hf       6.97628197       3.93612049       5.32899572      -0.00539011      -4.90895244       0.93383996 
Hf       7.23933838       7.35343986       5.32727872      -0.40276899       2.09598080      -1.49819269 
Hf       1.65790158       5.43126247       2.60557733       0.76720614      -1.36044401      -2.31075776 
Hf      10.87851391       3.40886091       5.12746436       1.34472656       1.99622181       0.13036265 
Hf      10.87018658       3.57207671      10.61064595      -0.25636009       0.41021077      -0.91627464 
Hf       2.02469531       5.23529217       7.85170735      -1.53914499       1.75692331      -0.02122754 
Hf       9.36274945       9.35736753       7.95995500      -1.13311929      -4.19311573      -0.74438356 
Hf       1.94744138       1.64745701       7.70713616       0.51520251      -0.38063588       3.27728834 
Hf       7.19338289       7.33414076       0.08627251      -0.68302442       0.85852844      -0.45145740 
Hf       8.85327770       9.06901076       2.66347020       0.91330914       0.48536453       0.74953818 
Hf       5.07205741       8.96581050       2.18811836       2.01818608       1.30085819       3.63803334 
Hf       5.46512363       9.05076453       7.79286744       0.63103263      -2.87644319       1.84486127 
Hf       0.02169967      10.90557304       5.21487162      -3.22828093      -1.83321615      -2.80887090 
Hf       3.41962934       3.40953580       5.02967352       1.09226592      -0.40757269      -1.68927810 
Hf       0.00570074       7.45775347      10.42448539      -2.28864222      -2.36134731      -0.79863191 
Hf       1.88120874       9.04115141       7.80360379       0.31221392      -1.72991314      -0.98987559 
Hf       7.20085291       3.66000277      10.42399178      -1.80897243      -2.86074555       0.26671049 
Hf       8.75947122       5.37076267       2.77191183       4.75428120      -3.26582794      -2.12773175 
Hf       3.79467436       7.01189894       5.23680711      -1.70495404       2.10788750       0.67908205 
Hf       3.39858966      10.71053279      10.59612599       0.96971177       1.70692050      -1.51853782 
Hf       7.35131407      10.87237723       5.43511258       0.41010648       0.39346949      -3.32328853 
Hf       5.43459123       1.64652706       2.47608773      -2.52550166      -0.43639214       0.82831563 
Hf       5.54536012       1.72820722       7.75848624      -0.45785296       1.83326329       1.31900266 
Hf       1.71162126       8.97640988       2.73315509      -3.29928104       1.10371781       2.25118610 
Hf       3.61778098      10.87544612       5.40964698       1.50947110      -2.61356658      -6.14041476 
Hf       3.59382985       3.39682990      10.51098568       0.32706909      -1.58793016      -0.15222684 
Hf       7.16914460       0.10897254      10.47550417      -1.24161487      -1.90190837      -1.65639005 
Hf       8.85204613       1.69526187       2.37188899      -4.62530324      -0.02651498       3.60514545 
Hf       5.58235469       5.43537371       7.92734650      -0.36520421      -1.23733915       1.03998052 
Hf       9.19639212       1.84522727       7.76154537      -0.63478409       0.90182491       0.73476838 
O      10.77706409       9.24657728       1.61448855       0.55144531       0.39930794      -1.24150014 
O       5.39377882       7.53047874       3.83349340      -0.96169181      -0.47763103      -1.60764884 
O      10.67551019       5.39284504       4.08797760      -0.51575211      -1.95969806       0.02067778 
O      10.84232098       1.88876565       3.89005456      -0.97467129       0.51265847       1.43146815 
O       1.21686167      10.86048384       3.62541819       1.17607472      -0.18835274      -2.69809975 
O       1.72445095       0.23495054       0.88525742      -3.87063811      -0.47190907       0.50647657 
O       1.80881971       3.24354834       0.81635269      -0.81616303      -0.42916312       0.24081820 
O       0.02555881       1.51110674       9.37737456      -0.57265146      -0.18842399       0.19420038 
O       2.24359641      10.65170981       8.83990759      -1.81214779       1.35078000      -1.67372278 
O       1.74672615       0.02563573       5.94502907       1.60516508      -0.12739389       3.72147934 
O       0.24757580       1.69236883       6.71319955      -2.80673258       1.43606538      -1.01694209 
O       1.69288584       3.75091544       3.63448313      -0.79309807      -1.11265672       0.75290665 
O       1.46469975       7.47373094       1.02401582       1.23267669      -1.19316035      -1.33435197 
O       1.78749068       7.29890670       8.92406142       0.41098124       0.91588783      -0.10832086 
O      10.49601913       1.63433785       1.51236799       4.03912740      -1.03171538      -2.87873630 
O       3.83310560       5.93401600       7.33111052      -4.36800987      -0.75859122      -3.23919189 
O       3.67865098       1.58378446       6.64407311       0.39983835       0.88416886       0.53996137 
O       5.50053288       3.67082851       8.93143901      -0.27040486      -2.70009168       1.19566223 
O      10.81423648       4.67958325       1.58557076       0.36540804       2.47900952       2.09243766 
O       1.82209751       7.00283450       5.89895385       0.60340594       0.05058458       0.27538549 
O       0.23247394       8.94933487       6.55122135      -1.95305032       1.82411401       2.39356459 
O       3.16478653       1.80903609       3.77072916       0.12908904      -0.26300934       2.62870198 
O       4.76487407      10.70660737       3.37361930       1.02751008       1.50749181      -0.61669617 
O       5.15133623      10.61034948       0.75250897       5.67104543      -0.14005749       0.74096059 
O       3.74894939       1.50058251       1.39172618      -1.00050788       1.18120062       0.06209576 
O       3.70694025       1.52672550       9.60389375       0.69154284       1.44659151      -1.88386055 
O       5.54482042      10.77400265       8.53064387       1.74320892       5.14956248       0.80064572 
O       0.03136363       9.21445681       9.40544160      -0.07559975       0.96077842      -0.13158369 
O       3.57155904       5.29431017       4.12302503       0.35880273       0.99539859       1.28001096 
O       5.25297735       3.43968999       3.84993052       1.32842609      -0.49489494      -1.22775546 
O       5.22193407       3.78800742       1.07896956       1.84195264      -0.04878086       0.03594695 
O       9.04967090       6.83696088       6.24057905      -1.32245540       0.69404422      -1.74639202 
O       3.35774328       5.20236052       9.57763991       0.18791226       2.07776457       1.26463600 
O       5.19187792       3.69111113       6.46682178      -0.85983061      -0.26978543      -1.47601804 
O       0.25273881       5.33605417       9.60362547      -0.51484177       0.40266867       0.58968783 
O       9.08901850       0.22352015       6.46791423       1.50034312      -1.41763084       0.74998885 
O       1.87900396       3.78754080       6.28885565      -0.82883899      -0.86821817      -1.10951416 
O       7.14529383       1.93951450       0.95068199      -1.47285447      -3.44301103       2.70342912 
O       8.76443418      10.60832679       1.17267791      -0.70894406       2.33867147      -1.43704085 
O       7.33952257       9.35079327       4.22178289       0.08076639      -2.83910072       1.13098034 
O       7.05843477       1.27468448       3.61310449       0.52053040      -0.24516173       0.93848069 
O       3.72199566       9.18161631       6.91741984      -2.26123545       0.02268085      -1.05624231 
O       9.10649288       7.33467662       8.79230880       0.64524490       0.36681594      -0.33474048 
O       7.39107800       1.83568876       9.10994020      -0.02747648      -0.32063855       0.83198058 
O       6.98878310       9.00366644       9.70768189       0.45251843       0.44176292       0.27854854 
O       5.23970799       7.17820160       8.74183072       0.77535739       0.37545375       2.78493494 
O       8.66549734       7.11602170       3.46688038       0.22942098       1.64768308       2.84833463 
O       5.55940538       6.99474579       6.33568936       1.35388761       1.94128063      -0.54383472 
O       7.10433997       8.68287300       1.73357544      -0.82965051       0.09791134      -0.62156921 
O       9.05136437       7.21418921       0.85888602       1.60661678      -0.36794579      -0.03668750 
O       7.21052147       5.35597372       9.62145594       0.88466039       3.66255161      -0.58730860 
O       4.14124507       9.12990289       9.45249236      -2.91269612      -2.00509998       2.02465521 
O       8.85665554      10.69730298       9.22672549       0.75112549       1.58606959      -0.09177743 
O       7.22526759       5.11404814       6.90906598       3.20999555       0.56433849       0.33705538 
O       5.48730570      10.68954909       5.91676327       0.94584328       0.89534294       1.80725474 
O       0.09487863       5.65576406       7.00078383      -1.56260836      -1.58116186       0.16746475 
O      10.60144127       8.97552387       4.16852480       0.01072567      -1.95649340       0.53609038 
O       1.62655394       7.18229509       3.36969954      -0.75243371      -0.62774029       2.29242641 
O       3.35192937       9.06439018       4.43742702      -1.71556848      -1.72617432      -0.73670486 
O       3.51226703       5.68970859       1.61487492      -1.64604162      -0.46082968       0.32466585 
O       5.11207924       7.34414928       0.95375781       1.01987752      -0.50783692      -1.33617346 
O       9.12794560      10.77923612       3.66411104       0.98497651       3.26458141       0.35406214 
O       9.41568084       3.58979015       8.86471727      -0.53368769      -0.86026506       0.38817517 
O       7.08753939       5.57489771       1.97761760      -0.83237335       0.18111617      -3.10634927 
O       8.89588043       3.45634070       0.89890197       0.23641896       0.69079018      -0.27635273 
O       8.44495174       3.57953972       3.75240455       0.37158319       0.40244350      -1.07348956 
O       6.49777385       5.55458726       4.47687485       1.71288775       1.05810062      -0.50637660 
O       3.17237959       9.15865648       1.60084400       2.05891564       0.29388414      -3.01777811 
O       9.09092145       3.42375493       6.14719287       1.63029264       0.38682933       1.33796494 
O       7.19698380       2.04453630       6.66154835      -0.08410848      -1.67888132      -0.63736088 
O       2.19805155       3.39193564       8.64429381      -0.66232044      -1.34381314       0.62469128 
O       7.35217313       9.13631895       6.88715717       1.98735512      -0.35828753      -0.39728819 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01783934066253478 -0.00021603839146471212 0.00614456928293233 -0.00021603839146471212 -0.029787104474268463 -0.011986641654033554 0.00614456928293233 -0.011986641654033554 -0.004080378115076787" pbc="T T T" energy=-1060.31826452 free_energy=-1060.31826575 config_type=crystal 
Hf       1.69665098       1.73303377       2.67486289       1.04846815       1.28404583      -0.08270460 
Hf       3.92228306       7.23957667      10.62104738      -4.79659189       0.68961080       4.09745644 
Hf       5.59024192       5.55744371       2.87588970       0.00710865      -2.33170645      -2.71674324 
Hf       8.55374537       5.40368315       7.60629894       2.55483941       1.78686959       0.72147522 
Hf       0.18272318       6.99347270       5.22239918      -2.68572740       0.51287110      -1.12841612 
Hf       0.18530726       0.19315801      10.39729471      -2.95837455      -1.98216368      -2.29945535 
Hf       7.14920085       3.50726507       5.13894857      -2.17899108      -1.72560542      -1.26927936 
Hf       7.08209645       7.18161900       5.47297382       0.46843240       1.32824916      -0.99332543 
Hf       1.89910734       5.46593317       2.46452912      -0.79545201      -2.80015934      -1.62594308 
Hf      10.87739673       3.51441265       5.36342922       1.59862125       1.33372085      -0.93410324 
Hf      10.56385726       3.95560836      10.26418572       3.94736284      -2.15646331       0.79785748 
Hf       1.72583820       5.20936403       8.04410107      -0.52916012       0.36562437       0.18084102 
Hf       9.14340824       9.06911353       7.93739101      -1.91030937       0.49857236       0.14148568 
Hf       1.80382246       1.71784229       7.68539826      -0.06961156       0.46911305      -1.09641307 
Hf       7.07653354       7.27451744       0.02482254       2.18367950       1.56205999      -1.31874535 
Hf       9.00235216       8.91637407       2.59895631       0.02551958       1.37774204      -2.11152870 
Hf       5.02480123       8.98117870       2.89236008       3.17385311      -5.31768582      -3.29247925 
Hf       5.31859513       9.28375406       7.68489997       2.70581077       1.11027243       2.03227829 
Hf      10.76245580      10.75678596       5.13219001       2.66410131      -2.24756435      -3.08915702 
Hf       3.56721685       3.37199846       5.08082792      -0.19664082       2.10370402       4.04799872 
Hf      10.91687711       7.37859363      10.49356518      -1.32373547       1.84327020       0.71803254 
Hf       1.53238669       9.10044341       7.98018029       2.19140022       1.23304805      -1.31257245 
Hf       7.07767460       3.57597836       0.01398256       1.41688243      -1.51163008       0.81441185 
Hf       9.01223852       5.51938870       2.59129599       1.95684244      -0.94765674      -0.06216593 
Hf       3.62060598       6.91717633       5.48257670       0.50901251       1.03051512      -1.82084324 
Hf       3.90147794      10.85366713      10.59067884       0.99493995      -2.19614027      -0.96691368 
Hf       7.33611295      10.71691817       5.08673541       0.57182075       1.46153057       0.21357247 
Hf       5.38563106       1.77453039       2.50402606       1.93554731      -1.53784302      -1.26975903 
Hf       5.18930403       1.65435326       7.72178111       2.71188004       1.54390849       0.17683565 
Hf       1.54317079       9.17053114       2.17045083      -0.83139773      -2.41460196       2.53726633 
Hf       3.60010577      10.69235920       5.16203284      -1.74064999      -0.40668770       1.77008646 
Hf       3.46298990       3.32546372      10.51184397       0.22448354       0.64910935      -0.35198708 
Hf       7.68235838       0.01329872       0.06486539      -5.19046862      -0.58351228      -2.19654179 
Hf       9.31187121       1.73814080       2.19386546      -1.24842163      -0.80935618       1.92137822 
Hf       5.15500244       5.26883977       8.20597681      -0.24099583      -0.71581251      -2.95614758 
Hf       8.91995087       1.86656715       7.81737494      -1.25326489      -0.67972700       1.14780559 
O      10.60648224       8.94158021       1.28396311       2.16579759       0.07236905       1.82111716 
O       5.47118033       7.19043945       3.92524346      -0.92535584      -0.04389044       2.56665471 
O      10.60086345       5.27596939       4.13394994      -0.13866750      -1.70853102       1.69940784 
O      10.85687230       1.74694800       3.96932682       0.19059705      -0.52107073       0.18750141 
O       2.23473071      10.56698706       3.62719057      -2.45534305       3.02731659      -2.21824184 
O       1.74444916      10.29190206       0.68642125       2.80433638       0.93625318      -1.07442227 
O       1.89293901       3.24966420       1.02042450      -0.74698849      -0.31815759       1.54515466 
O      10.26370405       1.62730334       9.38609438       1.73774837       1.30929832       0.13030153 
O       1.41332444       0.10649451       8.78647157       1.35931417      -0.37435678      -0.59399647 
O       1.45541125       0.19843157       6.11571349       1.81755025       0.96617822       0.13171276 
O      10.70736695       2.14088282       6.92764133       2.18386695       1.14416315      -0.37635169 
O       1.61352529       3.46036594       3.90081292       0.40155799      -0.41633842      -1.27945846 
O       1.65787288       7.32371941       1.23777841       0.94308765      -0.76964546      -1.56999966 
O       1.08816745       7.36632193       8.63451013       1.17861313       0.42614816       0.06296754 
O       0.20799824       1.08692077       1.42709567       1.96435693       3.89105547       4.56699902 
O       3.52609690       5.55123856       6.98605342      -0.14483225       0.26031908       0.21288881 
O       3.68827583       1.82087351       6.52176063      -2.30483781      -2.21206094      -0.68180363 
O       5.08773720       3.47633004       9.00015209       2.55238734       1.00776226       0.11702676 
O       0.03733235       5.05763669       1.53740726      -0.92708346       0.48006782       0.56599203 
O       2.00122351       7.77153583       6.06430495      -0.84911597      -1.00666470       1.41844163 
O      10.87453075       9.10549347       6.78695907      -2.21231983       0.76373143      -0.61805647 
O       3.87889883       2.17955651       3.72600573      -2.30347321      -3.89165939      -1.36676091 
O       4.88619829      10.56333849       3.62112450       1.75179477       8.91997181       1.75069949 
O       5.54176436      10.74618318       1.07156625       0.93824645       0.15112756      -0.51619073 
O       3.55890847       1.23061375       1.34226902      -1.58416684       1.93046438       1.06259399 
O       3.53724112       1.80873108       9.10757631      -0.81624668      -2.44334032       1.25336982 
O       5.40647715       0.14620782       8.95473778      -0.39816275      -1.34677987       0.33601877 
O      10.57816415       9.41119217       9.49023222      -0.12814509      -2.39423457      -1.35454853 
O       3.51502224       5.10098859       4.28644909       1.22105031       4.21756348      -0.94888235 
O       5.76690983       3.63820209       3.35642052       0.48024652       0.39973473       1.57285318 
O       5.30446627       3.11442969       0.92323845      -0.57830548       0.37422856      -1.42780848 
O       8.92792345       6.86555132       5.86820245       0.78507274      -0.17661282       1.10859630 
O       3.24983522       5.45900339       9.49824850      -0.20860763      -1.21484794       1.02685782 
O       5.40528952       3.67777505       6.24558350      -1.40726004       0.09525609      -1.33207405 
O       0.58200463       5.66948327       9.87201229      -0.42142222      -3.48771446      -0.92761025 
O       9.24700478       0.55361994       5.87026873      -4.36135854      -0.70259372       2.41762999 
O       1.92908197       3.58805089       6.38431427      -1.71108790      -0.09234513       0.05368246 
O       7.18223604       1.61803807       1.40642885       2.26728571       0.29905596       0.35770867 
O       9.31641663      10.93609382       0.89632444       0.28141612       0.67096153      -0.24585874 
O       7.21236011       9.05681103       3.98404447      -0.60247446      -0.40482518      -0.80349149 
O       6.83817535       1.58790479       4.28175277      -0.00098997      -0.60251020      -0.84950826 
O       3.49171489       9.67352033       7.11657138      -1.77816840       0.49593929      -1.57666821 
O       9.18906003       7.17381164       8.27047114       0.71248056       0.61170496       2.26050490 
O       7.77753030       1.99523945       9.55152371      -2.81682924       1.47526896       0.68388899 
O       6.91778920       8.79417238       9.14277021      -0.42902227      -1.26240398       0.75238523 
O       5.11523391       6.78432431       9.35541802       4.71556339       1.77473580      -1.05633914 
O       9.38501587       7.30952438       3.47060042      -0.61730417      -2.09773599      -0.05829641 
O       5.31158866       7.56809924       6.70413631      -1.44444794      -1.13012002      -1.65796548 
O       7.66132417       8.96632401       1.06071074      -0.99044997       1.59314708       0.43348959 
O       8.99671387       7.08095483       0.83522129       1.10089929      -2.46507723      -0.72633666 
O       7.50240377       5.65065845       9.46109356      -1.95592533      -2.39491941      -0.12511664 
O       3.42541159       8.98758774       9.47183990       0.53103456      -0.87813189       0.00470452 
O       8.35512646      10.86467133       8.75486475       1.55627705      -0.93106153      -1.93984550 
O       6.72691520       5.54259636       6.83555709       0.61466536       0.72324592      -0.27725470 
O       5.49051000      10.79337133       6.17199521       0.21901899      -0.14999747       0.29372105 
O       0.05192059       5.46841197       6.83829289       0.47802869      -0.70994532      -0.28362559 
O       0.11681912       8.75314917       4.15254527       0.03734122       3.67904407      -0.10375046 
O       1.57671411       6.78594974       3.71783118       1.21838609       1.21729604       1.60716083 
O       3.62517507       8.86645503       4.30573807      -0.33257969      -3.34093346       1.64149671 
O       3.92855427       5.31695885       1.57187657      -2.15522426       0.72444781       0.10636225 
O       5.66851892       7.07205363       1.39943678      -1.22241905       1.57906477      -0.97852843 
O       9.14029104      10.77024781       3.38531864      -0.14760728       0.57412161       1.58031951 
O       9.22079803       3.94408692       8.91120734      -0.50295066       0.56181148      -2.04287890 
O       7.16771605       5.11789808       1.58563199       0.64557757      -0.30964384      -1.66770819 
O       9.27527225       3.06185535       0.68836274      -1.68059371       0.72862867       0.47899831 
O       8.70749114       3.44238331       2.97226284       0.30963471       0.36099905       2.90894722 
O       7.59744149       5.61082145       4.09640863      -2.68420198      -0.81184265       1.01806702 
O       3.89079573       8.94541569       1.27981408      -2.00863760      -0.22355080       0.73521098 
O       8.77337077       3.82107537       6.29392812       1.42840133      -0.93064814      -1.06087999 
O       6.99365666       1.94356339       6.72978717       1.60947949      -0.42116547       1.54730215 
O       1.81413929       3.31818795       8.95649135      -2.32219202       2.11531820       0.39726338 
O       7.40413667       9.07033928       6.49048629       0.91804979       0.73066559       0.83638585 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02520987299754262 -0.004844665250529164 -0.009171774340748139 -0.004844665250529164 -0.008935544024385754 0.004417687562102766 -0.009171774340748139 0.004417687562102766 0.006565332238306994" pbc="T T T" energy=-1061.57586502 free_energy=-1061.57586777 config_type=crystal 
Hf       1.76796424       1.81428029       2.64670614       1.97943380       0.37081524       3.14343436 
Hf       3.83800984       7.39019560       0.09936340      -1.65646397      -2.83489801       0.01893989 
Hf       5.60920150       5.54179273       2.96527204      -1.27184789      -0.06023342      -0.30459445 
Hf       8.58343339       5.34308782       7.63290205       0.00953127       2.93193172       0.34870670 
Hf       0.21469148       7.00402969       5.24946699      -3.16615724      -0.49984988      -1.37062487 
Hf       0.14951270       0.24704180      10.44637188       5.00895915      -1.63278155      -1.54441161 
Hf       7.08459376       3.44441685       5.15906172       1.39453475      -2.39717340      -0.25274797 
Hf       7.06773225       7.19667846       5.49967993       0.76106804       1.43480322       0.43430282 
Hf       1.91892609       5.34448186       2.36276728      -4.18106283      -0.85350196       1.73691036 
Hf      10.82807917       3.56762496       5.34147757       1.24234216      -2.42252908      -0.40629753 
Hf      10.48980303       3.87575742      10.33002589       2.87836967      -1.84988351      -0.45866105 
Hf       1.65344830       5.15373341       7.92492564      -1.23614572       1.12081718       2.23226275 
Hf       9.22797520       9.09351374       7.82058564      -3.83835234      -2.99260972       1.22520583 
Hf       1.86862041       1.71857021       7.71770925      -3.01482407       0.02465451       0.06540542 
Hf       7.13436544       7.29500834      10.59156721       0.54389335      -1.89945899       0.43174751 
Hf       9.08398882       9.01489502       2.49611521      -1.05752320      -0.23369555       0.11076182 
Hf       5.16295080       8.96917618       2.91147091       1.34447469       1.78257035       0.77630100 
Hf       5.34644046       9.24858530       7.68847939       0.37220649       0.00981741       1.76674312 
Hf      10.80229280      10.59426794       5.04905624      -0.00868372      10.74995698       3.21277670 
Hf       3.58023608       3.31954179       5.09495014      -2.09571523       1.09806811      -1.56893374 
Hf      10.80654219       7.43523199      10.46234419       1.92939354      -1.70508885      -1.89395207 
Hf       1.54096184       9.00670837       7.91566427       0.83958779       1.96761096      -0.88415528 
Hf       7.11113039       3.55041900       0.03995101      -0.49469721       1.55203196      -0.95283423 
Hf       8.98665177       5.53369406       2.64231360       3.48946227      -2.35764086       1.00594850 
Hf       3.56021991       7.02528498       5.42272714      -1.76414533      -1.11080015      -1.13245069 
Hf       3.84639687      10.81429071      10.61495208       2.65731604       0.91601314      -1.02429345 
Hf       7.42132587      10.76626005       5.03424505      -2.48358586      -0.31333983      -1.68681975 
Hf       5.30129473       1.83397469       2.34868428       1.60883016      -3.02140940       1.91178946 
Hf       5.29670953       1.66296183       7.75246682       0.48671714       0.63065651       0.35965414 
Hf       1.68262467       9.23477778       2.25664671       4.24129878      -1.72321976       0.14001044 
Hf       3.57000296      10.73503567       5.27704564      -1.28099173      -0.12836743      -0.60886134 
Hf       3.46204363       3.33271725      10.42554648      -2.91540194       0.26567229       0.13984849 
Hf       7.66234713       0.00449262       0.10732930      -2.92482497       0.45439170      -1.78886350 
Hf       9.29942892       1.74900850       2.26448145       0.65310164       0.87892181       3.90455168 
Hf       4.97846666       5.31084551       8.19794160       2.54523342       1.41299196       1.16451741 
Hf       8.95212437       1.78012989       7.83520073       0.71263634       0.50667117       0.24133037 
O       0.01259425       8.86963501       1.63105576      -3.66860020      -0.21887383      -2.02537914 
O       5.40370638       7.17278320       4.20575298       0.70289597      -0.11948265      -2.35472596 
O      10.45615375       5.02204601       4.21457484       0.78940610       3.87247310      -0.67667802 
O      10.90447952       1.57552857       4.02346701      -0.08226115       0.73579331       0.74300990 
O       1.94426830      10.72944164       3.43543480       0.39777687       0.75686941       1.15868925 
O       2.11846487      10.26383399       0.50273395      -5.50986435       0.02496086       2.34050202 
O       1.88341824       3.10856944       1.18419050       0.23327738       3.26679954      -2.12847315 
O      10.30966294       1.60754770       9.42177582       0.27503400       1.52290305       0.13523940 
O       1.68618789       0.06490641       8.83674355      -1.35186349      -0.43163830      -0.56259549 
O       1.47694593       0.34808297       6.18424588       0.35652517      -1.88645479      -1.62668526 
O      10.86080857       2.28215036       7.05216835      -1.35757080      -0.61742505       0.36692425 
O       1.80118371       3.47266153       3.81453329      -0.50436320       1.72141556      -0.23214130 
O       1.70573920       7.15480572       0.89664054       1.03026462       0.24941854       0.24563700 
O       1.04234595       7.24241439       8.45890184       1.11908922      -0.28673551       0.83730702 
O       0.25706326       1.26675507       1.63205436      -2.04339422      -0.75401368      -3.06254287 
O       3.40848610       5.62415030       7.04141584       0.08454455       0.21946977      -0.59845194 
O       3.48141789       1.53834686       6.53989732       3.66241817       0.85926437      -0.69692037 
O       5.39515916       3.56777111       9.12739536      -1.75067645      -0.68664160      -2.48660713 
O      10.86499607       4.98998689       1.50625462      -1.06842236      -0.11859135       0.53064605 
O       1.83218404       7.78764806       6.17798030      -0.83371947      -0.98643265      -0.40591868 
O      10.63820698       9.25390367       6.60872467       2.60522930      -0.29206067       0.47397633 
O       3.70536894       1.87561877       3.64406475      -0.90994096       2.42430074       3.13047280 
O       4.92847750       0.12352035       3.51094683       0.52923759      -5.99487966       0.46453064 
O       5.77803795      10.84282616       0.91535864      -2.40550106       0.74965535       0.21572814 
O       3.47769899       1.39946608       1.36220052       0.95878145      -1.11494052      -1.46189801 
O       3.39731799       1.59963166       9.12264760       1.58305123       2.93401196       1.54994641 
O       5.22317462       0.15560533       9.01716423       1.76053123      -1.12160360      -2.18051927 
O      10.95478224       9.32540143       9.33004745      -2.14693886      -0.77724866       1.39350024 
O       3.69309899       5.40862748       4.18271962       0.70723042      -1.73937525       0.50086971 
O       5.75771676       3.63150162       3.69452741      -2.00657444       0.36473317      -3.44649162 
O       5.20037737       3.03526722       0.74005794       1.81459515       1.13799465       1.34390160 
O       8.95305125       6.98417599       6.18330298       0.04230228      -0.33513464      -0.81155527 
O       3.07294677       5.39210310       9.67935805       2.78273530      -0.14463286      -0.51748161 
O       5.22371957       3.67959144       6.12729867       0.68250206      -1.02123585       1.91058116 
O       0.40736566       5.45907943       9.72528288      -1.93329462       1.77303224       0.01225434 
O       8.93763649       0.29032480       5.99448294       3.94615507       0.25315651       1.76689692 
O       1.90701944       3.61385040       6.32690704       0.96834219      -0.37857939       0.31959398 
O       7.44535369       1.61009979       1.56645089      -2.46201866      -0.88377030      -0.29538443 
O       9.52579806      10.79986966       0.72055001      -3.67905339      -1.00831872       1.94269527 
O       7.26730543       9.00024970       3.74042726      -1.26386771      -0.56720384       1.10254238 
O       6.85014971       1.49357988       4.22043014       0.01712685       2.04860351       0.28524819 
O       3.34706939       9.46896173       7.07116801       1.55888682       1.84940247      -0.68701426 
O       9.29345570       7.17270399       8.58851856      -0.24560240       0.20681774       1.95276444 
O       7.57195531       2.15214690       9.48181001      -1.18213103      -3.65903870      -1.73210029 
O       6.85522201       8.61308076       9.30316671      -0.11709892       2.42192751      -1.95571442 
O       5.33711362       6.88583318       9.44537709      -1.96314003      -1.03531985      -0.23202858 
O       9.42812554       7.22494198       3.48862030      -0.57207716       1.35341023       0.17541002 
O       4.97879457       7.63980790       6.56361827       3.03586830       0.48488728       1.57438873 
O       7.50881544       9.23612756       1.16959985       1.35647347      -1.99955222       0.24834037 
O       9.14661594       7.02411379       0.91219662      -0.24209419       1.11431825      -0.82874883 
O       7.16259423       5.35544224       9.43737845       0.94725203       0.07278411      -0.15669037 
O       3.63023806       8.91239704       9.56417796       0.23387489       0.49945010      -1.66779184 
O       8.39495688      10.60584449       8.70930992       0.49654985       2.70427404       0.88928775 
O       6.55962880       5.72599563       6.76313534       1.56168263      -0.77527119       1.65955546 
O       5.48357135      10.68004575       6.19641343      -0.69036529       0.90265353       0.32434545 
O       0.08729938       5.30198518       6.65257163      -0.29164734       1.12633305       0.13207356 
O      10.94983155       9.07182010       4.26710187       0.76062291      -7.39160976      -4.81661900 
O       1.60344873       6.86112192       3.80096803       0.22915707      -0.19347626      -0.79109826 
O       3.68515326       8.77354322       4.48612729       0.31074644       2.97514229      -2.49330604 
O       3.62104028       5.23364263       1.69538428       3.79916827       0.05257336      -1.47918564 
O       5.49914826       7.16390336       1.39722042       0.47231270       0.62576883       0.95170258 
O       8.87864993      10.88329522       3.35294122       1.06881854      -0.81880825       0.18878126 
O       9.04372059       3.86141174       8.81514266       2.21224396      -0.28850763       0.32570774 
O       7.40371322       5.43066285       1.41619978      -2.50534012      -1.78538243       1.22227728 
O       8.93785068       2.96761852       0.62656467       2.39732241       2.37443507       1.23669427 
O       8.95725375       3.40051890       3.46529156      -1.37830306      -0.77708964      -0.80644310 
O       7.32164380       5.44306274       4.33959951       0.02347323       0.74359261      -1.77991089 
O       3.81206088       9.03079448       1.39991912       0.17844872      -0.42391618       2.47074968 
O       8.89659860       3.83079443       6.21536228      -1.21067378      -0.17052903       0.16190472 
O       7.21374078       1.82740460       6.75048842      -2.47039305       0.95104530       1.03378975 
O       1.63249308       3.56046160       9.15439568      -0.44715400      -3.01764963      -1.21144927 
O       7.43342447       9.17291681       6.55143266      -0.81507202      -1.62020266       0.37702516 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015153430611087844 0.005539596599261524 0.002828020401232408 0.005539596599261524 -0.0026271597371694713 -0.011195596245215165 0.002828020401232408 -0.011195596245215165 -0.009507491447724415" pbc="T T T" energy=-1062.39892148 free_energy=-1062.39893871 config_type=crystal 
Hf       1.84955609       2.04171414       2.74339177       0.10222586      -1.58414032      -1.61218229 
Hf       3.64242705       7.40282699       0.40356814       0.85494825      -1.43963412      -0.42071097 
Hf       5.37597762       5.47646233       2.91313308       1.11264624      -0.49056668       1.47356129 
Hf       8.83905243       5.38236004       7.89707405      -0.85730822       0.32637482      -0.33834597 
Hf      10.73725941       7.11370735       5.02518967       0.00356460       0.49322416       3.12796127 
Hf       0.12405775      10.87817953      10.38187373       0.17168458      -1.99951266      -0.25268271 
Hf       7.08484388       3.25424764       5.15937251      -1.13116817       4.82743011       1.81967151 
Hf       7.09351205       7.28402221       5.58662982      -2.26454045      -2.28544098      -0.20017985 
Hf       1.77592903       5.21034569       2.08151140      -1.73592803       3.70099411       1.74351699 
Hf      10.60973157       3.52174518       5.25664412       0.58674154       2.20270521       1.78636355 
Hf      10.64903216       3.51626203      10.60218930       1.39366278       1.55509754      -0.21836555 
Hf       1.40330715       5.17016094       7.91018789       1.37281963       1.29655308       0.09918790 
Hf       9.10993986       9.01764476       7.63859154       3.02649019       0.43985860      -0.36334047 
Hf       1.80659324       1.70424480       7.73452496       0.20036275      -2.87267417      -0.98394455 
Hf       7.26174669       7.29170697      10.41271229      -2.24018053       3.57464954       0.99101109 
Hf       9.26436007       9.05496309       2.18466191       2.01391314      -0.22797537       2.49640055 
Hf       5.89512746       8.96207406       2.89274782      -4.38606469      -1.89587332      -2.58814635 
Hf       5.56341823       9.17528506       7.88326049      -5.54847003      -0.25819181      -2.09179345 
Hf       0.07808275      10.77604178       4.88245315      -1.49277549      -1.76273130       2.40343679 
Hf       3.57224982       3.47359586       5.19608199       1.01805288       0.69735016      -0.16270227 
Hf      10.78567200       7.27955643      10.23049838       0.67308479      -0.87413898       2.33292127 
Hf       1.72996456       8.82657782       7.78596390      -0.43956514       2.27851773      -1.57347866 
Hf       7.21769393       3.62335780       0.00683562       1.55180892       0.06876287       1.38849158 
Hf       9.06733789       5.42238450       2.81869250      -1.22560270       0.50945042      -2.48586456 
Hf       3.39286427       7.24286413       5.00965709       0.11660836       1.15725183       1.82235470 
Hf       3.67494347      10.75171125      10.28148229      -1.74463641       0.24923929       0.14029082 
Hf       7.37135566       0.00107270       5.03655633      -3.52197884       0.27334376      -0.46906742 
Hf       5.35896920       1.59957414       2.15087615       1.85106719       1.29964488       1.56841510 
Hf       5.66709311       1.75146242       7.92234258      -4.24622418       2.80328105      -7.12176011 
Hf       1.89187803       9.17820450       2.74022731       1.43365923      -1.75890516      -3.10020824 
Hf       3.56002621      10.88020738       5.50334757       1.75156746      -1.25986570       0.36390175 
Hf       3.38737477       3.43232471      10.30324953       2.43032482       0.40493994      -0.57660866 
Hf       7.18418456      10.84972428      10.60153084       4.01852411       3.90393900       1.71344830 
Hf       9.20707520       1.89159010       2.82628968       0.67888220      -1.57134448      -5.05310863 
Hf       4.85040811       5.59347909       8.08300555       0.55282394       1.47778713      -0.32171739 
Hf       9.21062407       1.55908734       7.97874867      -3.59446355       1.61519210       2.11176583 
O       0.03728283       8.99355953       1.39258203       0.84439321      -0.34365252      -2.52736881 
O       5.43336087       7.30665544       4.11704143       0.35120865       1.15723278      -0.62111501 
O      10.73305219       5.38157679       4.08381348       0.99576727      -0.74715265       0.07833415 
O      10.93571288       1.74706184       4.21399577      -0.65842438       1.85710551       0.83923066 
O       1.22379725       0.00355051       3.25855963       1.02168715       0.26411539      -0.09475139 
O       1.92539933      10.84730881       0.70330190      -0.64254319       0.01890743       0.17241400 
O       1.68179738       3.76642037       0.67315593       0.17084256      -0.06431326       0.95558038 
O      10.77424007       1.79965885       9.55400080      -1.26466813      -0.82996381      -0.13464747 
O       1.16751431      10.81633620       8.54538693       0.97354249       0.44756591       0.85280272 
O       1.69613802       0.05050420       6.32899351      -0.31747693       0.23071744      -3.55711081 
O      10.57030881       1.69203062       6.73707505       2.03970106       0.85123873      -1.32624176 
O       2.07520905       3.81726892       3.68823590      -0.81600887      -0.13511766      -1.65211982 
O       1.67333606       7.03810055       0.98573516       0.08105580       0.86103130      -1.36130856 
O       1.33248910       7.33753318       8.92401210       0.25155762      -3.42277233      -1.21762949 
O      10.92123256       2.41368316       1.84621776       1.94478039      -0.70560758      -0.44887346 
O       3.20951451       5.51657158       7.04187289      -0.61183372      -0.62377218      -0.36805915 
O       3.87636548       1.47309731       6.73657570      -4.26231146       1.95835000       0.64523397 
O       4.84642999       3.61253503       8.56043557      -0.79290248       1.17153593       1.93128656 
O      10.60900244       5.34485129       1.47929118       1.85886830      -0.07773463      -0.01233863 
O       1.63722575       7.48223181       6.09721159       0.09296367      -0.42584197      -0.13238315 
O      10.76171616       9.10550410       6.47284066       0.80837074      -0.25230395       0.31996736 
O       3.25165523       1.44880523       4.04997053       0.06266695       0.40592802       1.30388359 
O       5.54747758      10.78432682       3.46467593       0.07743954       3.01602822      -0.34073221 
O       5.39012839       0.11355237       0.64100236      -0.78021984       0.81414009       0.86462938 
O       3.65002493       2.06920636       1.39352270      -4.03586764      -0.41635555       0.75040829 
O       2.87041119       1.69550663       9.54302125       1.73071601      -2.26384681      -0.36427143 
O       4.99331259       0.12304147       8.55615804      -2.07396922      -2.93403595       2.89331604 
O      10.76653866       8.93741616       9.20797200      -1.62697829       2.34272752       0.88524176 
O       4.15561266       5.48113199       4.73779639      -0.91766266      -2.60518693      -0.56801279 
O       4.87231288       3.42787351       3.56123975       1.48754162      -1.11248323      -0.72529430 
O       5.38636358       3.09008853       0.39166877      -1.16614130       0.44168120       0.52811436 
O       8.97192482       7.20431523       6.34578011       0.99274281      -0.51880231      -0.20576730 
O       2.96231177       5.73440195       9.65141080       2.26031791      -2.31310379      -0.17457476 
O       5.28008424       3.35256865       6.28410799       2.48710778       0.17217320      -2.00711529 
O      10.51666823       5.44009553       9.27835968       0.41780258      -1.14620633       0.46659846 
O       8.98749976      10.56290124       5.89601982       1.41236956       0.39717669       0.97897960 
O       1.46262348       3.60020558       6.26017467       1.83003627      -1.45339222      -0.49465784 
O       7.39804470       1.60798407       1.49637018      -1.17652112      -0.19959927      -1.61314823 
O       9.48789753       0.09939075       0.98198174      -1.32042350      -0.65624514      -1.88433967 
O       7.15866114       9.04760821       4.29073715       2.74310128       0.22733757       2.89519205 
O       7.43345087       1.95740860       3.76823177      -1.77847944      -2.89299668       2.91771044 
O       3.59549669       9.20628561       6.89962297      -1.67495350       2.04786704       0.04827280 
O       8.71923443       7.42273098       8.85197288       0.45194091       0.33171459       0.63354697 
O       6.83289708       1.88706648       9.24234342       4.81215156      -1.53725769       6.65931828 
O       6.50045446       9.40055378       9.61416668       1.50398622      -2.54205929       0.68745930 
O       5.36913417       7.08158853       9.57043780      -1.23139018      -0.47416156      -0.76689328 
O       8.92812876       7.19456987       3.80700370       0.25022159       0.75136404      -1.20999229 
O       5.00302135       7.51629390       6.72593384       1.99285629      -1.83978666      -0.27253247 
O       7.45626937       9.54573108       1.71679140      -1.89115526      -0.04238191      -2.75797058 
O       8.84089818       7.04621412       0.93896703       1.28557031       2.51327699       2.04214738 
O       7.67581447       5.63369484       9.96233126      -0.49049907      -7.01854053      -2.08322786 
O       3.23083095       8.95961674       9.46793725       0.95645833       0.19354913       1.25379438 
O       8.99791476      10.75468931       8.85906094      -1.09357716       0.05480787      -0.01219146 
O       6.85402594       5.81593497       7.17560793       0.85374117      -0.71200566       0.95959399 
O       5.64716272      10.80820827       6.18931145       0.15918207      -1.47129571      -0.84856277 
O      10.81106669       5.42362932       6.66142357      -1.06516251       0.25006965       0.54636244 
O       0.34212433       8.59072034       3.82658742      -1.72746326       1.90963721       1.17071543 
O       2.20091589       6.95450670       3.38423162       0.20455400       0.10379554       1.04058727 
O       3.32885340       9.29870440       4.15373508      -0.39088487      -0.60598794       0.95699421 
O       3.70796781       5.63353094       1.71062945      -0.51077485      -1.60851251      -0.92425916 
O       5.58860268       7.09877641       1.63185708       1.51309721       1.95592933      -1.89114542 
O       9.47373734      10.77794112       3.28721829      -0.86572579       0.30795891       2.66369413 
O       8.55877768       3.41745545       9.03702792       2.62470230       0.74615066      -2.26753245 
O       6.96212091       4.66006361       1.89646785       0.82791492       0.53494754      -0.32916135 
O       9.08943746       3.49220681       0.95641273      -3.82072125      -0.46343510       1.42249311 
O       9.08387991       3.70042044       3.80446709       0.22218477      -2.05267544      -0.18878014 
O       7.00770860       5.23877771       4.42430711       0.34046711       0.00718896       0.62895389 
O       3.94375025       9.20716844       1.72547253      -1.43774465      -1.42203186      -2.08432066 
O       8.83114143       3.95239749       6.22296318      -0.61981494      -1.05105976       0.95229410 
O       7.28763824       1.50124787       6.73186727       2.80232253       1.50383530      -1.61824301 
O       1.52415577       3.32229580       8.72894189      -0.45156887       4.44177133       1.06751593 
O       7.22261821       8.85349550       7.04850911       1.17397201      -0.10853601      -1.36031268 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01366473984564087 -0.003062051771514653 0.013456127882602044 -0.003062051771514653 -0.023333893182970605 0.0015595765457820368 0.013456127882602044 0.0015595765457820368 -0.029870058817924802" pbc="T T T" energy=-1065.37839031 free_energy=-1065.378392 config_type=crystal 
Hf       1.76224532       2.00128793       2.73537156       2.73407524       0.78397405       0.00666373 
Hf       3.66092132       7.28099704       0.44995469       1.09497647       0.02588430      -2.87422310 
Hf       5.28578092       5.40552113       2.86672867       2.48737549      -1.87329609       0.53939039 
Hf       8.94340395       5.40409860       8.01579434      -1.10749535      -0.31855230       0.23250692 
Hf      10.55345410       7.17840714       5.03141604       3.43039427      -0.85306921       1.03241662 
Hf       0.07862091      10.62972868      10.35217471      -0.48547965       1.95906359       0.29547220 
Hf       7.16433876       3.38838359       5.16959102      -0.15091886      -0.04706271      -1.26384396 
Hf       7.04350405       7.20422122       5.59678679      -1.47619865       0.01699798      -0.02059977 
Hf       1.67263072       5.38155510       2.06774568      -0.23137927       0.14961933       1.80750713 
Hf      10.53720635       3.55155744       5.31616163       2.37229331       1.37372574       2.24705980 
Hf      10.74078516       3.48925242       0.11453173       1.19529365      -0.06206590      -2.55150733 
Hf       1.41242221       5.26788178       7.93726432       0.81656553      -1.77729815      -3.94362691 
Hf       9.15537658       9.03443078       7.59377213       0.82693392       1.71097359      -0.15454859 
Hf       1.74348317       1.65027719       7.70791856      -3.33607066       1.14565143       0.53800376 
Hf       7.21344399       7.31460238      10.39417690       1.18615048      -1.26572360       0.01428961 
Hf       9.34828917       9.02388902       2.17208526       1.41746789       4.43426365       2.62483298 
Hf       6.02035016       8.94232631       2.74595177      -2.83562452       1.48497955       1.57469890 
Hf       5.52269719       9.11816595       7.88725870      -3.03971679      -0.57213404       1.44099255 
Hf       0.09545064      10.86050652       4.93633102      -4.60576753      -1.15331716       0.87871657 
Hf       3.57320518       3.56063032       5.24062590      -1.29258080      -1.60958744      -0.19516715 
Hf      10.85484073       7.11746866      10.23277873      -1.58439216       1.10352571       1.30753433 
Hf       1.76429497       8.81792039       7.77029208      -1.68008608       0.68583621      -0.67564248 
Hf       7.28560743       3.65327973       0.05982246      -2.53437547      -3.26632702       0.46823599 
Hf       9.02735780       5.37857014       2.78144986       0.22971686      -0.15343657      -3.11593828 
Hf       3.38271112       7.27508102       4.92846652       1.73635946      -0.34308869       2.80204261 
Hf       3.50177578      10.76271008      10.14943546      -2.12092572       0.96147123       2.30694223 
Hf       7.25544206       0.08054665       5.12465405       1.42138798      -4.48237174       1.49924276 
Hf       5.47590718       1.54384940       2.17160982      -2.90926860       3.64284469       0.19060571 
Hf       5.66659549       1.82442829       7.86970533      -0.05496786       1.22393540      -0.03161894 
Hf       1.88237797       9.08817784       2.78775254       0.21719630       0.56575033      -2.12022408 
Hf       3.66297229      10.90063802       5.57765565      -1.98100532       2.23481395      -3.57143067 
Hf       3.45026703       3.43230806      10.27276460       0.05983560      -0.05232841       1.80121941 
Hf       7.15919053      10.90836605      10.60527278       1.34287385      -2.46069668       0.79180063 
Hf       9.19852974       1.89109456       2.83400496      -0.66961321      -3.36244229      -2.91980549 
Hf       4.88396458       5.73571985       7.98874141       0.49581074      -2.38553761       0.59779564 
Hf       9.28513813       1.54897593       8.08280062      -3.20136078       0.37694567      -1.85214009 
O       0.17855968       9.10984991       1.10136072      -0.87193789      -0.31684486       2.20003736 
O       5.38066218       7.55915322       4.02367683      -0.11363668      -2.22071215       0.27443542 
O       0.00998114       5.34625563       4.06458540      -1.06255435       0.66983029       0.22963553 
O      10.67215513       1.88781171       4.29744490       0.61753921      -1.09331774      -1.28122074 
O       1.33667571       0.05033088       3.23882243      -0.01767827      -0.99339680       0.40599707 
O       1.79760723       0.02623272       0.63100568       0.64496471      -0.77834193       0.39022952 
O       1.73363767       3.79329555       0.87015563      -1.55000850       1.64762860      -1.97386878 
O      10.72459679       1.60527991       9.34832773       0.50704376       0.22969420       2.70951778 
O       1.38805804      10.74205090       8.45138596       0.69321169      -0.73978102       0.82355968 
O       1.68940534       0.10025803       5.87103444       1.52671281       1.12307319       1.63472758 
O      10.73457508       1.62201575       6.69010847      -0.20273532       0.47618781       0.81921301 
O       2.21990538       4.01135118       3.32576988      -0.56554667      -0.74590739       1.50416321 
O       1.71392257       7.38858912       0.79344061      -0.12918141      -2.31150335      -0.16204325 
O       1.03321566       6.99644693       8.54470986       0.14730205       4.47540007       2.37888651 
O       0.00922243       2.42250614       1.82707823      -0.75393463      -1.32361182       0.21443467 
O       3.21504444       5.25829353       6.87103351       0.86166777       0.05275345       0.61456215 
O       3.46203059       1.81376295       6.89976763       4.02030490      -0.56986709      -0.50124888 
O       4.89458182       3.82265807       8.82752321       1.28911668      -2.03708409      -2.39192520 
O      10.61095491       5.55516848       1.25881575      -0.11921900      -0.38399631       1.25434700 
O       1.80095024       7.35637826       6.17024823      -0.53367767       0.32230627      -0.68861493 
O      10.93771531       9.23103510       6.55332728       0.32704598      -1.61940360       0.36057644 
O       3.32544532       1.82865928       4.21837151      -0.16835689      -1.56768369       0.96932722 
O       5.60863650       0.01084830       3.38180246       0.22656325      -2.42839671       1.08291324 
O       5.11134004       0.28274456       0.66038912      -0.34299683      -1.82788286      -0.51874534 
O       3.21354665       2.15342820       1.53399482       2.36279358      -1.10872518      -0.44968041 
O       2.74260573       1.64566252       9.57944513       1.39348865       0.83615336      -1.11249562 
O       4.82674194       0.08965558       8.71761977       2.28913127       0.26607955      -2.36601593 
O      10.48043762       9.16979917       9.22201312       1.11507276      -2.56151766      -0.57090890 
O       4.14245659       5.29801472       4.48989304      -0.28938264       2.13116450      -0.03355856 
O       5.31539872       3.28635683       3.38320315       0.61939143       1.32561727       0.37182929 
O       5.26282230       3.09395063       0.40687940       1.30186240       0.50580283       1.17850006 
O       9.06108749       7.08929421       6.22149160      -2.85981787       1.35809229       0.85973985 
O       3.45442735       5.61901555       9.77973610      -1.33952373      -0.55253349      -1.66201307 
O       5.63825100       3.24085349       6.27739854      -3.58548591       0.55630815       0.65459584 
O      10.71440618       5.15598585       9.45377294      -1.11402231       2.14443461       0.71307584 
O       9.01995976      10.53918807       5.98515004       0.07450631       0.23691961       0.85606557 
O       1.63225873       3.36721518       6.00453181      -1.11970678       0.54808575       0.05593407 
O       7.16473306       1.65544678       1.21567519       1.39782422       0.02249623       2.68804394 
O       9.14635201      10.92365252       0.59114746       2.02246486      -0.14033334       0.40604655 
O       7.43439912       8.96047142       4.56942049      -1.48879277      -0.32899429      -2.21072807 
O       7.49651492       1.61538562       4.12182948       0.68331257       4.54660756      -2.87415400 
O       3.38776173       9.47979919       6.88585182       1.39986858      -1.61064914       2.10796694 
O       8.95082368       7.29383440       9.03352396       0.06753751      -0.40376336      -1.02331582 
O       7.26612043       1.41004465       9.50256866      -1.95308327       7.14588931      -4.85083397 
O       6.48367556       9.00460066       9.90800389      -0.11358422       3.40059696      -1.79905375 
O       5.27740955       7.19601573       9.21498055       0.53286992       0.74716043       1.35825394 
O       9.14364566       7.18445572       3.52895672      -0.89756592       0.20350924      -0.21746406 
O       5.23425354       7.36619561       6.74304408      -1.26421746       0.17221058      -2.09585922 
O       7.38826176       9.73131049       1.64658388       0.85794364      -1.96160462       1.53488711 
O       9.04617791       7.71458928       0.90612172      -1.87025583      -3.49919542      -2.87311763 
O       7.51869370       5.36416442       9.93936093      -0.09219767       1.71135639      -0.13148297 
O       3.19587572       8.85751121       9.50947687      -0.05705204      -0.65527600       0.10910182 
O       8.41441003      10.67999108       8.60723548       1.34160211      -1.30701124      -0.65372282 
O       7.03199301       5.62833659       7.49164997      -0.85055062       0.60450911      -1.61458494 
O       5.47171728      10.58495183       6.07976504       2.70239422       0.16667913       2.04463056 
O      10.58008288       5.48658457       6.82460455       2.23576467      -1.67743730      -0.89608202 
O       0.05412078       8.75930118       3.89113862       0.99700399       1.25866119      -0.72462061 
O       2.28512995       7.10144551       3.40073845      -1.78338358      -0.71056915      -1.23415098 
O       3.35995902       9.26699773       4.40069022      -1.30035950       0.01233159      -1.37167947 
O       3.72231831       5.47980139       1.56846169       0.36839621       1.19152959       0.83630454 
O       6.08640421       7.24391010       1.43769767      -1.09767622      -0.53736995       0.69683274 
O       9.22276343      10.78217046       3.49456999       0.61186713       1.23757668      -1.40860036 
O       8.87916026       3.52259142       8.65605554      -0.36063542      -1.69857690       2.20224762 
O       7.19675329       4.65971115       2.02578419      -0.29523865       1.71108209      -0.16561140 
O       8.95019020       3.35030525       1.01899777       1.65878963      -0.07955029       0.23420554 
O       9.16335342       3.66526702       3.69832016      -1.16597550       0.38617023       1.21790681 
O       6.80138477       5.36133657       4.59335838       1.52380832       0.60925899      -0.23488131 
O       3.69601438       8.72449912       1.86033222       1.45787273       0.89706140      -0.47528870 
O       8.77777508       3.55927868       6.27075159       1.03864768       1.11123232      -0.51287151 
O       7.30350921       1.60201700       6.55935785      -0.72510741      -0.78781169       2.33612338 
O       1.29850172       3.58891400       8.78073063       1.46317990      -3.01934958       0.75635915 
O       7.16886293       8.76442728       7.06119631       1.85861415      -0.31464988       0.29588615 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.028011338573640486 -0.008184355563403812 0.023088792496253608 -0.008184355563403812 -0.018194131453150714 -0.01003890699139579 0.023088792496253608 -0.01003890699139579 -0.03678224642335263" pbc="T T T" energy=-1062.93689012 free_energy=-1062.93689278 config_type=crystal 
Hf       1.75076891       1.98419624       2.72086435       0.73929969       0.12192917       1.40276443 
Hf       3.69674591       7.20798439       0.43636722       0.44496785       0.79373874      -3.55220079 
Hf       5.26901134       5.33102942       2.85137933       4.90062262       0.41800908       1.09791745 
Hf       8.98737706       5.41063287       8.09205179      -1.76428914      -2.20770194      -0.89469354 
Hf      10.49237462       7.21070389       5.06126142       3.55797726      -0.18485816      -1.70813276 
Hf       0.04198098      10.48652707      10.32755678      -0.26920316       2.00268124       1.08374618 
Hf       7.19697745       3.48279627       5.16942000      -0.19829797       0.35874865       0.43823738 
Hf       6.96347846       7.15080327       5.59999600       0.70966682       2.44490370      -0.24147223 
Hf       1.59907345       5.50897831       2.09665911      -0.44429218      -1.63476717       2.02974587 
Hf      10.53246065       3.59559212       5.39408655       3.04325981       0.42453172      -2.04486219 
Hf      10.81675713       3.46944342       0.16309584      -2.23812943      -2.24225162      -3.87721874 
Hf       1.43354724       5.31967178       7.90428614       0.98356755      -2.21739834      -1.01767081 
Hf       9.20733990       9.07071650       7.56576631      -1.46647350      -0.12177062       0.74620913 
Hf       1.66448077       1.61989357       7.69329613       2.21259475       2.56976434       0.16492704 
Hf       7.19300940       7.31698454      10.37638173       2.07894651       2.44503973      -1.91588257 
Hf       9.42994139       9.06185803       2.19585138      -4.14253027       0.45853498       2.35733480 
Hf       6.04007698       8.94633840       2.68416401      -3.47576829      -2.12029339       2.81341376 
Hf       5.44464183       9.07042189       7.90194649       0.75646996       0.72399737       2.05723874 
Hf       0.04022693      10.89205081       4.99692536      -1.85594354       0.16352729      -0.87956391 
Hf       3.56036135       3.59273326       5.26333178      -0.87914159      -0.04600827       0.86704954 
Hf      10.87263207       7.03834607      10.26170502      -3.63177288       2.47117541       1.64596690 
Hf       1.75555164       8.83160673       7.75321298       2.19433167      -0.72065013      -0.22163171 
Hf       7.29735435       3.61854626       0.09690842      -1.10164476      -1.24232623      -0.79321047 
Hf       9.00805804       5.34832215       2.70619102       2.88591181       1.44473830      -1.50562233 
Hf       3.40297381       7.29111260       4.91961054       0.91725826      -0.43629483       1.21947805 
Hf       3.34298576      10.78195561      10.10794272       1.78181678       0.02283090      -0.40638287 
Hf       7.20435883       0.08938025       5.19115534       1.88136911      -1.19201245       0.24433270 
Hf       5.50368481       1.56668740       2.19326779      -2.79146734       1.26919334       0.45535027 
Hf       5.65227172       1.89788323       7.81954750      -0.35224747       1.52057655       0.43015043 
Hf       1.89176430       9.03369464       2.77071054      -0.20995203       1.80743806      -2.21026388 
Hf       3.71223693      10.93988471       5.58040261       1.50059576       0.10308773      -1.35224306 
Hf       3.49988576       3.42837606      10.28024869      -0.50696647      -0.17735713      -0.15237182 
Hf       7.17281015      10.94058622      10.60616232       0.61718112       0.37087729      -2.35567431 
Hf       9.18376916       1.83220935       2.77740298      -1.77450923       0.65000251      -1.45750689 
Hf       4.91663406       5.80256767       7.93580038       2.34670748      -4.23515354       0.75471610 
Hf       9.28287177       1.54900661       8.12701726      -4.14093881      -0.60572679      -0.75205664 
O       0.07884836       9.10378478       1.21600352       3.06606434       0.36600427      -0.30269104 
O       5.35520460       7.42837726       3.92680082      -0.56572522      -0.52647353      -0.69226438 
O      10.94777226       5.42448235       4.09225237      -0.83425871       0.55701209       0.63384871 
O      10.61453040       1.86827245       4.11132611       2.23528279      -0.01557631       3.37206321 
O       1.43376965       0.00758309       3.30026964      -0.58001225      -0.23930143      -0.08915781 
O       1.91204298       0.00546343       0.72057105      -1.90508424      -1.44903875      -0.27171489 
O       1.56485534       3.98331609       0.63748969       4.43030583       1.51619051       2.17880246 
O      10.63875335       1.60211724       9.62034967       1.18986848      -2.25212220       0.43758963 
O       1.72207876      10.65128055       8.53413177      -1.66233412       1.51421388       1.16553989 
O       1.86053116       0.33059796       5.66554249      -3.25547644      -0.58842496       3.36244852 
O      10.79653553       1.68759092       6.83579051      -0.05533774      -0.53116135      -0.97021863 
O       2.17473806       3.99539442       3.28857604      -0.32367039      -0.94242083       0.20983112 
O       1.62261362       7.26641110       0.64674244       2.78726466      -1.71357307       1.01739523 
O       0.99645554       7.20126080       8.49660789       0.76999057      -3.28988649       1.54497659 
O      10.94599454       2.21153565       1.80059618       1.90053931      -0.81854361      -0.85066677 
O       3.36236813       5.08045508       6.87483040      -1.61078932       0.76785933       0.22051909 
O       3.55857563       1.99928736       7.01884920       0.37512879      -1.68931203      -0.38189100 
O       5.07579045       3.58675523       8.77929125       0.48148786       0.15149927      -0.09958178 
O      10.65847656       5.60878254       1.33918746      -0.59957366      -0.32132853       1.87495714 
O       1.73840539       7.29782250       6.09066699       0.98558071      -1.16737273      -0.38222438 
O       0.23839883       8.96569513       6.59421268      -3.92958603       2.29108515      -1.41540584 
O       3.37105942       1.76023840       4.59446805       1.50913250      -0.92289327      -3.19280640 
O       5.70686821      10.79241574       3.42381082      -0.57504998       1.99638221       1.30510757 
O       4.99903162       0.11222286       0.68116818       1.07254435       0.49245911       0.28357926 
O       3.23660859       2.03449294       1.57659596       1.85598701       0.08900363      -0.39487179 
O       2.96268339       1.71689120       9.40376520       0.69764755      -1.11864617       0.83760941 
O       5.14480613       0.06932278       8.35712353      -0.92924384       0.40984238       4.25305900 
O      10.47405104       8.89171978       9.27670103       1.42799330       2.87778200      -0.47535450 
O       4.03896961       5.51995600       4.32992351      -1.01519958      -2.80380569       1.44122024 
O       5.75696134       3.36162937       3.30809662      -1.81795301       0.37576764       0.73881707 
O       5.19777477       3.19021201       0.61283158       3.41630768       0.10046857       1.16456792 
O       9.11276234       7.13640599       6.33988888      -2.15251461       0.67375722       0.04453131 
O       3.57337982       5.31429249       9.47806254      -1.77412513       2.38823563       0.61561248 
O       5.46481314       3.30103152       6.18619981       0.12443785       0.58898779      -1.31671005 
O      10.63519134       5.20445015       9.74243298      -0.25076989       0.12176038      -3.81745491 
O       9.04407140      10.64365485       6.16469628       1.19332943      -0.43872608      -1.62409812 
O       1.64281911       3.26015315       5.83096545      -1.45503684       0.85158847       1.51769933 
O       7.27093844       1.61382395       1.40069759      -0.26594813      -0.20517119      -0.02279292 
O       9.09102520      10.80120520       0.41049517       2.67378132      -0.08704162       0.60631887 
O       7.36167888       8.70214132       4.31060774      -0.04572618       2.25850535       0.55451949 
O       7.54040795       1.83929777       4.09007683      -0.99615800      -1.81884800       0.89297104 
O       3.58364416       9.50292062       7.13847807      -1.93848196      -1.30130022      -1.37940020 
O       9.09814846       7.11706800       8.98115913      -0.77869199       0.75687975      -1.15312619 
O       7.37687880       1.90649081       9.25535385      -2.06219270      -0.28955975       2.67874025 
O       6.57788117       9.23608932       9.91086820      -0.87327504      -1.11103257      -1.27044657 
O       5.30208564       7.30237077       9.17806019      -0.36858066      -0.50459179       0.57893393 
O       9.07728199       7.24549752       3.19869275       1.45823946       0.30773024       1.91045309 
O       5.19395200       7.27384507       6.44495973      -3.00758462       0.23922282       1.30184097 
O       7.46239400       9.53461414       1.71899543       2.23459473       2.31922235      -1.67117572 
O       8.90838287       7.81759519       0.66938253       1.37247862      -1.17298243      -0.00888588 
O       7.38012309       5.46979352       9.84539930       0.36202037      -3.98470962       1.20710323 
O       3.18725893       8.66202385       9.58998017      -0.10552192       1.16918959       0.28090142 
O       8.16140772      10.56635884       8.42170161       2.56796446       1.13219388       2.01900665 
O       7.04833060       5.57489333       7.46844474      -0.62954652       0.52536454      -1.61689369 
O       5.57453255      10.40630143       6.34070051       1.70601577       1.71481470      -5.06732122 
O      10.63763584       5.31837404       6.74103488       1.97304425      -0.47839005       1.12386562 
O      10.83022863       9.03555486       3.95603281       1.02827590      -1.17547419       0.21134482 
O       2.09746035       7.09837914       3.31623556      -0.71253197      -0.14796616       0.43311791 
O       3.12747818       9.18335733       4.33013077       0.69785263       1.75641680       0.74974649 
O       3.83368189       5.49342342       1.62104728      -2.40566357       0.92572667      -2.03416692 
O       6.29574258       7.32304343       1.36541186      -3.67388927      -1.39389356       2.05508313 
O       9.15509775      10.94805843       3.45287752       0.30513703      -2.03814652      -0.42955829 
O       9.11793522       3.35575542       8.68131685       0.16617983       3.85339296       2.10798203 
O       7.29022626       4.98743787       2.12749894      -2.77545561      -0.51243937      -2.94372385 
O       9.04046501       3.23604304       1.15959510      -1.81808957       2.30665574      -1.44779048 
O       9.01085653       3.76495709       3.78829698       0.38730748      -1.43909330       1.39118060 
O       6.96581571       5.52544551       4.63466193       0.72853916      -3.10939998      -0.92948652 
O       3.76562782       8.53418486       1.80791722       0.11097762       1.41889214       0.46292370 
O       8.91215239       3.48969866       6.31030284      -2.19018179       0.64212129       0.29378542 
O       7.34316522       1.62329464       6.74183025      -0.43105212      -0.70867484      -1.88393770 
O       1.37367884       3.48438982       8.97400518       0.14574404       1.00692638      -3.16498477 
O       7.22914569       8.69498716       7.14158025       0.61396157      -1.43643422      -0.30187698 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015468182295423493 -0.0026196824841347734 0.01884598367496039 -0.0026196824841347734 -0.02004833642121262 -0.0020650498309905184 0.01884598367496039 -0.0020650498309905184 -0.023054957356421813" pbc="T T T" energy=-1060.61698722 free_energy=-1060.61698896 config_type=crystal 
Hf       1.78689259       1.90569508       2.73710833       1.38181387      -1.66929501      -0.66678067 
Hf       3.82512229       7.08947893       0.27283325      -1.30186269      -0.66525848      -1.72634723 
Hf       5.36599714       5.19752782       2.80927946       0.10921880       1.29421225      -1.92016682 
Hf       9.01248426       5.29498835       8.21002178       0.43372686      -0.64457599      -0.26823255 
Hf      10.47335993       7.31241501       5.07699861       5.09676991      -1.04833567      -2.80908771 
Hf       0.01925035      10.25391432      10.34439333      -0.50729367       3.32651555      -0.26617794 
Hf       7.26222864       3.68515030       5.18424001       3.28643088      -0.37295053      -1.45587538 
Hf       6.79698320       7.09584995       5.57528113       1.44859003       2.27919254      -1.34274136 
Hf       1.46440810       5.69696453       2.25067215       2.78319959      -3.39015238       1.22711112 
Hf      10.60353748       3.70000598       5.49009788      -0.31609922      -0.20599583      -0.93060570 
Hf       0.00079146       3.35312072       0.11763454       1.79933853      -0.22360296      -0.71606898 
Hf       1.58991577       5.33929321       7.80772168       0.21210563      -0.59043037       0.54022911 
Hf       9.27113581       9.12719994       7.53425547      -1.97057295      -1.86726585       1.21891234 
Hf       1.58610143       1.66186908       7.67616410      -0.45356510       0.93469652       0.67722521 
Hf       7.18155764       7.36548445      10.31088997       2.07786478      -2.24981911       1.34139764 
Hf       9.51316952       9.17314469       2.33558404      -0.99203170      -3.77036529      -1.02922575 
Hf       5.97759250       8.91062129       2.60439687      -1.76696086       1.60597294       1.26383369 
Hf       5.32802792       9.02745892       8.01645207      -1.13637166       2.09698094      -0.21089851 
Hf      10.83129464       0.01763774       5.09435492       3.42091563      -0.97465166      -0.64723793 
Hf       3.44654714       3.64632399       5.34298987      -0.56300350      -3.02944041      -0.40164687 
Hf      10.81029309       6.96744574      10.38773382       3.66905781       1.03238459      -1.75260053 
Hf       1.75061235       8.81556901       7.72536138      -1.78359585      -1.70165911       0.02026222 
Hf       7.28516788       3.51444815       0.18408408       1.57483587       3.00278786      -1.61890975 
Hf       8.97074190       5.30832991       2.53625914       0.00707315       1.59182155       3.47565381 
Hf       3.45669612       7.31095523       4.90933187      -2.27925017       0.21624156       1.27354764 
Hf       3.07980424      10.81392281      10.06420736       3.18414953      -0.25780678      -0.48517713 
Hf       7.22838753       0.08546765       5.28955980      -1.26552435      -4.45694905      -1.27620382 
Hf       5.45583196       1.65986336       2.28743637      -1.78296899      -1.97212229       2.80225056 
Hf       5.60855093       2.07188171       7.69443695      -0.54744907      -0.58155451       3.02755577 
Hf       1.92139393       9.02033314       2.63366935       0.25471979       4.07456023       1.64716713 
Hf       3.83562066       0.07507194       5.53115303      -2.51143879      -0.36774649      -2.93127042 
Hf       3.61383857       3.43468748      10.29701031      -0.61788340       3.22905264       1.50148625 
Hf       7.22628792       0.03577200      10.54433491      -1.38154749      -2.40270991      -1.72204272 
Hf       9.10474200       1.72793847       2.63434047       1.46603962       1.60730606       1.48255772 
Hf       5.04615776       5.76656252       7.84252517      -2.72946482      -4.25086048       2.20283890 
Hf       9.11584492       1.59559985       8.21029250      -0.80967065       5.83598334       1.28336333 
O       0.39515323       8.82032862       1.36837480      -2.42973329      -0.15877042      -1.01101723 
O       5.23207472       7.07681390       3.70936242       0.54226464       0.49462495       1.26682819 
O      10.56922986       5.41094260       4.35282666       1.34497235      -0.46768360      -0.32124936 
O      10.92010245       1.90502008       4.39126750      -0.88461960      -0.43929326      -1.10256601 
O       1.42530702       0.03110376       3.42730256       0.06494757      -1.24256689       0.13106611 
O       1.78876596      10.57257681       0.74063744      -0.36042114       0.86068437       1.33203761 
O       1.92074851       4.24015047       0.50026823      -1.89756415      -2.75135177       0.53303459 
O      10.77856517       1.32010279       9.78237847       0.39031646      -0.22664658      -0.95412122 
O       1.47137086      10.77299426       8.63908145       2.13572050      -0.23884839       2.28153359 
O       1.62286342       0.27955702       6.32953368      -0.15950824      -1.88332063      -4.15838446 
O      10.52014523       1.67638063       7.02028199       3.42657350       0.39690524      -2.59800033 
O       1.84019266       3.71381339       3.28042827      -0.76914197       1.89680782       0.43060566 
O       1.80744594       6.65082348       0.55583038       0.13413283       2.44076483       1.32091284 
O       1.37917470       6.99476485       8.74687004      -0.16982135       2.59395225      -0.64350572 
O       0.17227061       1.80369713       1.48498046      -0.88682587       0.86239601       1.98974792 
O       3.27817971       4.98451075       6.83815408       2.54682175      -0.19079467      -0.00857681 
O       3.69924903       1.59458412       6.85945948       1.35571232       1.71138710       1.05380362 
O       5.16417710       3.94380163       9.05488507       1.24012516      -2.62359964      -1.98320422 
O      10.65602154       5.60262362       1.45084851       0.36651537      -0.05130370      -0.41721073 
O       1.73583884       6.93624470       6.06441241       0.17705226       0.89027657       0.70969688 
O      10.89192230       9.04142257       6.48321988       1.87324364      -0.49730969      -0.45050665 
O       3.93234505       1.68648140       4.09616246      -1.61058092       0.99635615       1.18354689 
O       5.65771149       0.02044970       3.77306892       0.30240646      -1.65050376      -1.34064406 
O       5.44592390       0.01995690       0.87035481      -1.64489632       0.85259135       0.37404017 
O       3.63428992       1.93016716       1.60377420      -2.13582435       0.46263623      -1.17264402 
O       3.58198072       1.70168143       9.48195127      -1.00428109      -0.24829101      -1.08771233 
O       5.52364938       0.12320110       8.78701237       0.01527201       0.37313806      -1.36392700 
O      10.87101529       8.96023072       8.81931677      -0.97645774       0.73730998       3.14247531 
O       3.57686963       5.16267942       4.25836568       1.61262202       3.02509457      -1.37067418 
O       5.92271576       3.48940569       3.52251055       0.44258895      -0.40803633      -0.06507538 
O       5.60942445       3.45145312       1.13924768      -0.88517636      -0.24992533      -1.39500315 
O       8.95542531       7.17974344       6.03217263      -4.35143407       0.77977160       2.47694939 
O       3.40403227       5.47533693       9.30993674      -0.05838275       0.66688345       1.14936550 
O       5.54460897       3.59306786       5.89169605      -3.29177417      -1.33511864       3.61595254 
O      10.67766435       5.31768469       9.49193084      -0.51360305      -0.94189138      -0.30723640 
O       9.14718708      10.67240920       6.07400402      -2.78118008      -0.55699345       0.18474234 
O       1.59552469       3.22945137       6.07453366      -0.33507684      -0.00916252      -0.69954261 
O       7.49437927       1.35335392       1.47820628      -0.08928956       3.03426507      -0.39208373 
O       9.15601926      10.57764572       0.52614953       3.13136578      -0.42206396       0.86389846 
O       7.22985268       8.75114389       4.28405427      -0.65599353       0.66121865      -0.61576429 
O       7.50102409       1.58599407       4.22770367       1.89441918       3.69058144      -2.02439455 
O       3.43615844       9.28863233       6.99330814       0.27191888       0.57714762       1.98474829 
O       9.11950806       7.36595950       8.61779082      -1.04467832      -2.07000890       0.17679430 
O       7.24458937       2.27697014       9.17192152      -0.63663963      -0.62130272       1.30884121 
O       6.60742106       9.01671306       9.64728388       0.93054597       2.97161761       0.54331425 
O       5.25733236       7.15581050       9.17625315      -0.07411011       0.81755307       0.73758492 
O       9.41849040       7.27861225       3.16298941      -0.90870962       0.05036749      -0.62336885 
O       4.72387628       7.21877441       6.55254870       0.53749113       0.85377241      -2.27177267 
O       7.37499787       9.64031982       1.45864446       0.16723410      -3.10351336       2.08675256 
O       9.21293338       7.61968414       0.45262045      -4.40138605       1.52683531       1.90451656 
O       7.34187033       5.36418710       9.66455260       1.50149367      -0.91252080      -0.67224831 
O       3.05436923       8.86376106       9.62078886       1.39912351      -0.63819237      -0.06482014 
O       8.66772590      10.89187464       8.81684000      -1.05339298      -5.27384537      -0.13375938 
O       6.77957236       5.67843323       6.93207043       1.80428902      -1.65234157       0.65475856 
O       5.36696269      10.08744327       6.12193220       4.19057452       1.35045136       0.87640564 
O      10.69975702       5.08336411       6.94991397       0.19108233       1.04570092       0.57975244 
O      10.77869390       8.98494548       4.07164837       0.27176573       3.42092806      -1.26493376 
O       1.56449051       7.31468849       3.56851328       1.75647777      -1.69945540      -1.17436654 
O       3.15882537       9.33785533       4.69453403      -0.55402195      -2.62393744      -3.16341479 
O       3.74556650       5.44738905       1.63020119       0.78316104       0.91893501      -0.07758501 
O       5.69886562       7.30798189       1.06726884       0.56900944       0.91741597       0.74289043 
O       9.19894454      10.80471692       3.28479041       0.36272751       2.45460347       1.49025252 
O       9.67433140       3.33479199       9.35723324      -4.42910914      -0.04809652      -3.01663972 
O       7.24379912       5.45749113       1.57052892      -0.42879069      -0.82173028       0.85804674 
O       9.19102631       3.70455666       1.25000335      -1.54319714      -2.38066831      -0.74011687 
O       9.16105266       3.65071986       3.78260388      -1.65336191      -2.34552209      -0.10987480 
O       7.55511473       5.59476905       4.39605757      -1.23064066      -1.15662764      -0.52143223 
O       3.73221574       8.64791559       1.93187857       0.11664925      -0.27486322      -0.40424202 
O       8.71952148       3.66971143       6.79482145      -0.59612760       0.16620408      -1.43568573 
O       7.28667674       1.48459935       6.67098988      -1.62900594       0.92514839       1.78199043 
O       1.57237324       3.42393187       8.56561349       0.25919931       0.60208452       2.10005991 
O       6.95231178       8.33035275       7.27865683       2.32877119       0.74615959      -1.49680056 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0302485533247896 -0.0053802017256348676 0.010865369906164093 -0.0053802017256348676 -0.010452448826545755 -0.0019515944056397007 0.010865369906164093 -0.0019515944056397007 -0.01630603663842952" pbc="T T T" energy=-1058.55356336 free_energy=-1058.55356541 config_type=crystal 
Hf       1.82692133       1.84350389       2.74380429      -0.61834339       1.47771615      -0.73736738 
Hf       3.86921767       7.05127755       0.17541389      -5.29989749       0.41719266      -0.75586121 
Hf       5.41501034       5.17282161       2.76472588       0.92124692       0.52244482       0.80940399 
Hf       9.01120920       5.21932358       8.24092092       0.19465076       0.95056581       0.20416447 
Hf      10.51823659       7.35735696       5.05391008       0.23515823      -0.84535092      -0.86674317 
Hf       0.03096100      10.21787368      10.36910586      -1.93580331       3.31810984      -0.57934293 
Hf       7.31089651       3.74712160       5.18016049      -0.17104227      -0.27595717      -0.43537167 
Hf       6.75195952       7.10478303       5.54309440       0.54228903       2.88116039      -0.88632462 
Hf       1.45794855       5.70872262       2.33754881       2.02419876      -2.51659281       0.56726072 
Hf      10.63044597       3.73154567       5.50273438      -0.44929192      -2.84310901      -0.25330323 
Hf       0.06526358       3.29571873       0.06292655      -2.77847084      -1.34854591      -1.19263400 
Hf       1.68947064       5.32739773       7.78453281      -1.66498838       3.05220190       1.75420147 
Hf       9.26367116       9.11695575       7.54130728      -1.70922464      -1.82811458       1.36135815 
Hf       1.57476099       1.70544832       7.68167428      -1.79503073      -2.53871638       0.38482615 
Hf       7.19589697       7.36060531      10.30611723       2.38607019      -1.90505270       1.04906778 
Hf       9.52460123       9.17827221       2.38652778      -2.30883216      -2.27999683      -0.22920465 
Hf       5.91869075       8.90884302       2.59281477      -5.53521420       0.36613826       5.30615018 
Hf       5.29518084       9.05025475       8.07011364      -0.67561874       1.34177664      -0.60753181 
Hf      10.81010070       0.04171782       5.11350327       1.59704821      -0.34256234      -0.61502139 
Hf       3.37650444       3.63276835       5.36950252       2.66349344       0.02588180      -3.87158867 
Hf      10.80787105       6.97015220      10.42456553       0.73558196       1.96760282      -0.42300538 
Hf       1.72046023       8.78022276       7.72196659      -0.50084130       0.85312868      -1.65423029 
Hf       7.29570087       3.50952847       0.21248604       2.02940847       0.87876456      -1.43775543 
Hf       8.93446396       5.30728635       2.52455055       2.00280074       0.66061822       2.11020304 
Hf       3.44639671       7.31440714       4.90597832      -0.74721945      -2.51407970       2.20745465 
Hf       3.03595712      10.81830894      10.06556373       2.43759440       1.68390018      -0.17087732 
Hf       7.25993007       0.05224522       5.28400827      -5.69562938      -0.73892804      -3.89650235 
Hf       5.40415021       1.67696053       2.36267641      -1.28601382      -1.19884220       0.65207718 
Hf       5.58114658       2.13001490       7.67759476      -1.80387397      -0.58136338       4.90542531 
Hf       1.93932189       9.08325542       2.58378214      -2.84442658       1.80596697       1.70042141 
Hf       3.85500938       0.09608368       5.47717408      -1.56743859      -4.55709300      -2.44319197 
Hf       3.65684547       3.47544326      10.31680884      -0.92192252       0.81854794       2.42275673 
Hf       7.23393236       0.01892759      10.49872322      -1.27044236      -1.82346872      -1.10121717 
Hf       9.08633669       1.71315860       2.60297376       2.02394446       1.25991304      -0.64614712 
Hf       5.07069492       5.67762500       7.83157496       0.66380717      -1.07936166       0.46270481 
Hf       9.02519388       1.67970347       8.25378307       0.88118973      -2.03487895      -1.65004423 
O       0.17963622       8.57062079       1.27758762       1.62340010       2.16606350       0.14774385 
O       5.27223131       7.05065448       3.83169104       1.00839660       0.15387187      -0.56347737 
O      10.53704333       5.22594966       4.40696856       0.77584522       3.40227751      -1.36043600 
O      10.91478364       1.92497577       4.35682019       0.57074113      -0.45238365       0.12479509 
O       1.41099892      10.95329442       3.48406365       1.29057010      -0.02192487      -0.45592803 
O       1.75650788      10.54637817       0.83124902      -0.48099553      -0.03951122       1.17054091 
O       1.80075818       3.82013030       0.50166478       2.07653051       0.86224660       1.00421735 
O      10.87200210       1.33334860       9.47877097       0.23439475       1.34103423       1.18001276 
O       1.40781237      10.81421030       8.76581187       4.10317332      -0.00231775       0.41485004 
O       1.57152240      10.86332856       6.21881787       1.11720087       2.74059430      -0.78724082 
O      10.58994174       1.70009073       6.88733318       0.03198284       0.08015668      -0.09385395 
O       1.58490383       3.80541333       3.31072379       0.59212119      -0.47801297       0.11120790 
O       1.76983914       6.76824638       0.66290480       1.20080225       0.80895617       1.16189307 
O       1.57964101       7.17263332       8.76567646      -1.24473224      -2.30718935       0.10069402 
O       0.08636659       1.87235115       1.55953939       0.45374115       0.04835393       0.41332749 
O       3.48191365       4.97526170       6.78519019      -0.99984732       0.28803585       1.20837678 
O       3.77779314       1.48875573       6.81073508      -0.65393916       2.33849406       0.98479373 
O       5.15747159       4.02811353       9.06198471       1.33451904      -2.37046655      -1.04640418 
O      10.75469424       5.57030463       1.24076494      -1.17636552      -0.85742680       2.52230242 
O       1.71992065       6.90948828       6.22662051      -0.02755300       0.11543117      -0.24500842 
O       0.01560901       9.07164743       6.44068337      -1.55147471      -1.49942698      -0.54922529 
O       3.97735328       1.88108779       3.83777434      -3.05945678      -0.15166576       3.49592186 
O       5.61005037      10.94324524       3.70449104      -0.19334663      -0.49709787      -0.17432828 
O       5.60919328       0.17470262       1.01646286      -2.41242146       0.24838058      -0.12273667 
O       3.48883237       2.00702591       1.50076367      -0.30963817      -0.28295965      -0.77331985 
O       3.66442199       1.70482350       9.50688308      -0.96517343       0.70687636      -1.35449693 
O       5.59264139       0.20157309       8.89949302      -0.72894916      -1.88979631      -1.10043803 
O      10.91641860       9.05095100       8.78887181      -1.84926093      -1.15178969       2.91826302 
O       3.59052727       5.26412256       4.09274673       0.38080719      -1.16883959       1.87460182 
O       5.88884047       3.42375844       3.67722861       0.51959320       1.49050964      -0.64726957 
O       5.51765448       3.50993022       1.10171838       0.29241951      -0.47210952      -0.63678158 
O       8.71095444       7.20139501       5.88523489       3.30268063       1.44396811       0.19513031 
O       3.35153035       5.68479636       9.51666994      -0.53388194      -3.51304214      -1.73375379 
O       5.48760556       3.54663063       6.21970773      -0.75705288      -0.48189499      -0.47193776 
O      10.81669238       5.34031200       9.40417579      -0.63007571      -1.95361933      -0.13939194 
O       8.82894661      10.56395838       6.05737495       4.73647903      -1.16699774       2.27021878 
O       1.65848313       3.21551851       6.18873823      -1.06702203       0.76891303      -1.08886324 
O       7.56996384       1.54099438       1.28115620      -0.49824256       2.43764595      -0.19720941 
O       9.28957498      10.48928799       0.80886318       0.69059643       0.81643817      -0.02334299 
O       7.14383362       8.88144207       4.38097948      -0.27400329       0.63439427      -1.26995030 
O       7.68982588       1.68287962       4.15597705      -1.25382402       0.38252504       1.53352291 
O       3.38680045       9.32581206       6.96999991       0.51393241       0.65250813       1.71490663 
O       8.97168806       7.36637846       8.50017669       0.45501434      -0.97654400       1.32343938 
O       7.18786392       1.95208059       9.21821942      -0.48158976       1.57700927       2.09503550 
O       6.75030571       9.04746721       9.65177080       0.06763017       2.50422626      -0.56113434 
O       5.23463415       7.07305818       9.19531945       0.97190238       1.46888324      -0.68885703 
O       9.51583873       7.23340757       3.19124852      -0.03425435      -0.31939302       0.21337643 
O       4.77065237       7.30205009       6.59868186      -0.48143173      -0.86137051      -1.64866323 
O       7.16021974       9.40085551       1.48386516       5.64509162       0.71247022      -2.32490848 
O       9.01819387       7.67668744       0.72406608      -1.02521336      -1.11984994      -1.76346548 
O       7.53377946       5.46581715       9.43597734      -2.34604092      -1.30993202       2.86752724 
O       3.13551396       8.99842180       9.54607465       2.03744447      -2.04750835       0.35384167 
O       8.92603047      10.69043730       9.03512756      -0.67344483      -0.01211651      -2.06040422 
O       6.81106495       5.56762074       6.78780769      -0.02845057      -1.07455343       0.36352428 
O       5.31705351      10.02547164       6.23548723       3.13763738       3.38895087      -1.13298407 
O      10.48574843       5.20183408       7.03596285       5.60701761      -0.11463951      -3.08788426 
O      10.81893430       9.12891576       3.98146545       0.17008695       0.14781894       0.43516614 
O       1.58652960       7.29006751       3.66683462       0.53299501      -0.95113655      -1.57323201 
O       3.27119581       9.13228155       4.62184963      -0.64131493       2.30029330      -2.83577424 
O       3.86238157       5.40937611       1.73054799      -2.03198631       1.29468079      -2.93006632 
O       5.53448738       7.49416004       0.83243990       4.00121202       0.42397091       3.88646425 
O       9.30287403       0.00221673       3.40994019       0.16365917      -2.08655315       0.95373854 
O       9.39751634       3.11921976       9.34864862      -0.91691793       4.73007148       1.20663532 
O       7.30784406       5.44769713       1.42873998      -1.83689427      -0.58897227       0.24498399 
O       9.21186769       3.69457640       1.24530257      -1.66259499      -0.89771202      -1.95037755 
O       9.19657465       3.39335860       3.58207185      -1.52764062       3.71732721       2.49276411 
O       7.62986478       5.65423570       4.19443139      -1.57792342      -2.62938053      -0.02458295 
O       3.64720858       8.72239425       1.97483940       2.22873973      -0.47729977      -1.11355666 
O       8.59053178       3.77966234       6.92557579      -0.43372007      -2.68947778      -3.04704298 
O       7.09322467       1.52238145       6.77529832       2.01292652      -1.14195783      -1.85726371 
O       1.65509126       3.45704145       8.60299855       0.41218071       0.04409955       1.08117926 
O       6.86683285       8.34731713       7.19845496       2.30399607       0.82230964      -0.15833301 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006439005054791522 -0.001684842703953654 0.0035517662885123035 -0.001684842703953654 -0.014046336838171395 -0.0019068013727940676 0.0035517662885123035 -0.0019068013727940676 -0.003222713815048574" pbc="T T T" energy=-1061.01912825 free_energy=-1061.01914724 config_type=crystal 
Hf       1.63778856       1.76431107       2.71924991      -0.90544036      -5.11189332      -2.86461874 
Hf       3.80848331       7.33684119      10.56965107      -2.28631581       0.05013923       0.03587611 
Hf       5.18652428       5.22124910       2.76577145       1.35192275       2.13829836      -1.13430163 
Hf       9.22216797       5.70673871       8.10531284      -2.33344894      -2.41828145      -2.45235415 
Hf       0.00260216       7.16428825       5.35871058       0.72853056      -2.40172738      -0.31190540 
Hf      10.76553849      10.57671084       0.11842534       0.78323489       1.13565273       0.01354548 
Hf       7.39416397       3.64575614       5.18378573       1.75202021      -1.98171391       1.30365153 
Hf       7.39727778       7.27991908       5.31358442      -1.62631804      -0.36253969      -0.29015296 
Hf       1.57817696       5.21929904       2.48682249       1.63951468       1.40333803       1.53342481 
Hf      10.82558416       3.57666530       5.18758443       1.91353637       0.77761541       1.83711248 
Hf      10.71307721       3.49694835       0.02939896      -1.16549037      -2.49958066      -1.57105374 
Hf       1.89664246       5.36352349       7.70112014      -0.75572894      -2.93364197      -2.77548754 
Hf       9.22649296       9.01076899       7.78355006      -0.06480950       3.56210938      -1.42839463 
Hf       1.70633521       1.57211774       7.94227865       2.52877289       2.07846998      -1.85413762 
Hf       7.18690702       7.32001727      10.58416093       2.09349537      -2.52971845       0.19204350 
Hf       9.00590683       9.09189576       3.02779735       0.80983900      -0.91357054      -1.09276031 
Hf       5.44276638       9.26430738       2.28573860      -0.78226559       0.88158130       2.14768079 
Hf       5.25844165       9.09845676       7.90664886       2.55512521       1.09742766      -0.67826194 
Hf      10.84119876       0.22302559       5.35448609      -0.40637886      -7.15610269       3.42914861 
Hf       3.83413448       3.26263435       5.02047869      -3.17641671       2.56432301       5.01399383 
Hf      10.84472802       6.99555336      10.54292870       0.28284059       3.00799896      -0.04426623 
Hf       1.89834020       9.01543296       7.98347198      -2.21687561       1.70465181       1.20248535 
Hf       7.16436812       3.63502112      10.15369971      -1.09337375       0.99989091       0.65169386 
Hf       8.82505318       5.40980898       2.49819711      -2.28423077      -1.11357157       0.12409035 
Hf       3.82196423       7.35781032       5.23631223      -0.06222785      -6.30219848       0.68887961 
Hf       3.41475107       0.10164276       0.07789898      -0.65091350       1.23526116      -0.54606004 
Hf       7.08682385      10.91092570       5.17499841       0.25253431       2.03365220       3.98966834 
Hf       5.29325018       1.67256772       2.38973997       1.03846267      -0.13590312      -0.79928018 
Hf       5.34221670       1.78200436       7.59749186       0.75439119       0.70035063       0.71264212 
Hf       1.80850396       8.72391440       2.42003272      -2.82273848       0.92171148       2.00103763 
Hf       3.32951120      10.41492819       4.95399812       1.43297761       3.36586585       0.88831494 
Hf       3.43948380       3.72406305      10.26550244       3.14869322      -1.82548110       0.92397585 
Hf       7.29533023      10.77204569      10.27399735      -0.19716613       0.77524639       0.98122173 
Hf       8.89049030       1.66515555       2.57652051      -1.53046499      -0.85649836       1.06946386 
Hf       5.69563064       5.64628350       7.84874111      -3.03998214      -5.72650229      -4.34506806 
Hf       9.01511896       1.61343370       8.12222911      -1.18401762       0.41598972      -1.87025381 
O      10.62464005       9.37025365       1.83844073       2.37629492      -2.65822422      -0.22330429 
O       5.50508137       6.96874490       3.75573217      -0.67454228       0.60191831      -0.39307555 
O      10.60506300       5.33658346       4.37569432       0.67042226       2.05228096      -0.84214571 
O       0.02888999       1.72424367       4.42701666       0.84824134       2.95988853      -3.40301992 
O       1.61646676      10.19926963       4.02193388      -1.68088947       0.72025792      -0.82342501 
O       1.57997374       0.17591414       1.25368449       0.41057134      -1.29968736      -1.64661278 
O       1.61746167       3.95100421       0.50616542       0.38548165       1.32698129       2.95870500 
O      10.25354467       1.53640535      10.10197092       0.88498282       2.50887930      -2.67528747 
O       1.60116079      10.82676379       9.08923257       0.71639097       0.82554896       1.23563129 
O       2.42079711       0.07498823       6.63840477      -2.69032637      -1.65180538      -0.41209653 
O       0.06498529       1.72551577       6.93779946      -0.91210706      -0.95701315       0.66219367 
O       1.58097534       3.41223908       3.43251704      -1.02935910       6.97758227       0.01563034 
O       1.62718479       7.17800637       0.96786462       1.53450114       0.57974189       0.15670601 
O       1.58553085       7.30616111       8.91746857       1.39233155      -2.67455369       0.57230716 
O      10.64866240       1.96933574       1.93698113       2.32916741       2.39112896      -1.83592041 
O       3.98777178       5.27777110       6.40583087       1.45825630       1.22193553       1.23363025 
O       3.54741848       2.01419136       6.72793655       0.74738679       1.12784999       0.86665548 
O       5.75457513       3.61653769       8.55757828      -0.73673068       1.35410354      -1.08353896 
O      10.71811610       5.69129941       1.90860627       1.33766668      -1.19371105      -1.33420021 
O       2.00555332       6.76416078       6.41488062      -1.22011596       3.60357171      -3.29514509 
O       0.15782786       9.21609879       7.06439479       1.08849558      -1.04290625      -0.77485804 
O       2.95077291       1.64535762       4.13226832       2.10387819      -2.10894907       1.58663994 
O       4.75240691       0.00242412       3.42855656       0.93761460      -0.54089650      -1.42089489 
O       5.42709952      10.94312571       0.79982747      -2.01922635      -0.21139592       0.32068405 
O       3.27885449       2.05267617       1.34637362       1.42705144      -0.80374618       0.09165228 
O       4.04787881       1.69063668       9.34425226      -2.61865970      -0.11174676       1.39243247 
O       5.93030389      10.81837303       8.51348366      -0.59187285       0.62979311       0.35785129 
O       0.05273320       8.92527177       9.62263491      -0.70851928       0.08092331       1.72563698 
O       3.34305654       5.23652965       4.13221805       0.62853212       0.31994082      -2.86332698 
O       5.10098136       3.35905964       3.45200233       0.11415122      -0.02021798      -0.89554694 
O       5.45269613       3.69638612       0.41674853      -4.54122618      -0.92132986       1.67157380 
O       8.89802989       7.41664360       6.55670910       3.06542829      -2.26977415      -0.00650485 
O       3.44752715       5.05026998       8.80472751       1.09218002      -0.05601674       2.99985299 
O       5.65680970       3.21671074       6.05820125      -1.39410057       0.34982912      -1.65132040 
O      10.35504565       5.31423070       9.70478783       1.47342467      -0.34916285      -0.99684464 
O       9.29321533       0.03706064       6.62406667       0.39522523       1.41175226      -1.48874763 
O       1.78063759       3.60551804       6.16812307      -0.61105317       1.39086473      -0.24128784 
O       7.12525859       1.71210113       1.68970659      -0.47126284       0.50515043      -1.30643959 
O       9.12186700       0.09155644       1.06193659      -2.94196041      -0.14697027      -0.60351694 
O       7.17022651       9.40314520       3.94768181      -1.40231144      -2.03405732      -0.08331071 
O       6.94778542       1.72816077       4.09683581       0.81413273      -0.69224349       0.51417014 
O       3.47865369       8.79224204       6.77288660       0.91649051       0.01733950      -1.43617856 
O       9.09962369       7.52351336       9.01352029       0.41023168      -3.03626399       1.70782878 
O       7.18204124       1.75447434       9.68061663       1.45381167      -2.79384062      -0.80144866 
O       7.01682794       8.82223672       9.32341570      -0.86161919       0.21483199       0.51100553 
O       4.97049157       7.06500366       8.92839274      -0.95986238       3.01993449       1.39365257 
O       8.78157090       7.12009306       3.90898386       0.73006244       0.45578186      -2.85735004 
O       5.61066051       7.69820207       6.11019194      -0.86782730       0.32730873       2.51132592 
O       7.22221865       9.42172045       1.57419954       2.24626228      -1.37347231      -1.98513221 
O       9.03765173       6.78309033       0.74688336      -2.74060392       1.92738723       1.69652202 
O       7.08708701       5.71971609       9.18803008       2.51405983       1.31532973       2.71024251 
O       3.88640599       9.39841835       9.45875188      -1.08642036      -1.18205454      -0.25880209 
O       8.95599677      10.61714976       9.02286095      -0.44126743       0.88135023       1.19134258 
O       7.27462492       5.52836561       6.51653531      -0.04351351       0.18280385       0.17845300 
O       5.24359167      10.81902973       5.92802108      -0.30684021      -0.70279472       0.57851513 
O      10.81048087       5.48389334       6.86535645      -0.36538129       1.24229888       1.58097504 
O      10.34135920       8.90220314       4.72068254      -0.29322405       0.70240178      -1.17377163 
O       1.48940093       7.07335838       3.60477167      -0.53806454       0.60169484       0.17671742 
O       3.53956171       8.65991251       3.76968454       0.60649139       0.57007998       0.47371249 
O       3.73003506       5.58688171       1.11465218      -0.25162830       0.19236820       0.32290814 
O       5.46592189       7.75866823       0.93673802      -1.28966385      -0.71304058      -0.69590294 
O       9.33767982      10.87739004       3.58757459      -0.40101374       2.83573628       2.60825648 
O       8.48087953       3.64337321       8.64021504       2.94307068       0.08575961      -1.44325278 
O       6.79073171       5.44862072       1.44510470       1.13465943       1.89345884       0.28891325 
O       8.79447038       4.07763859       0.56504551       2.17852279      -0.65584811       3.09598974 
O       9.06503362       3.46326610       3.73428540      -0.29980694      -0.38803690      -2.37326683 
O       7.20501367       5.12790628       3.93017596      -0.81611957       0.54050083      -0.29579670 
O       3.37405063       9.30553393       1.39636649       1.72508143      -0.88742922      -1.64256627 
O       9.20529474       3.51655389       6.20363413      -2.01155365      -0.52081611       0.80334797 
O       7.22635311       1.56897743       6.80881580       1.97304408      -0.58953047       0.67616304 
O       1.09807869       3.44350411       8.80396488       0.88715667      -0.77489808       0.52146297 
O       7.61803208       9.42425917       6.62683627      -2.57324283      -1.19852212      -0.69143083 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0018858156277997288 -0.003814759390851798 0.005210495804034142 -0.003814759390851798 0.013865979718832258 -0.004254972929636199 0.005210495804034142 -0.004254972929636199 0.03695850833251655" pbc="T T T" energy=-1067.12701841 free_energy=-1067.12701898 config_type=crystal 
Hf       1.60625587       1.59295825       2.77478144       0.01411812      -1.60499511       0.03103246 
Hf       3.61744693       7.33645478      10.59168743       2.32327600      -1.67134134       0.70471974 
Hf       5.23808409       5.19267848       2.71959993       1.69985273       0.51364099      -2.15464515 
Hf       9.30041682       5.75969991       7.84847326      -1.76469686      -1.49060875       2.22515170 
Hf       0.20964153       7.01840100       5.29462738      -2.12943910       1.80142993      -0.43537912 
Hf      10.91731206      10.68088246       0.07854076      -1.87021972       1.59600868      -1.74910527 
Hf       7.43181843       3.40517827       5.08973619      -1.15946908      -0.03451183      -0.07461366 
Hf       7.32602214       7.31468685       5.42302432       0.23954644      -2.01948173      -0.59224434 
Hf       1.57313917       5.34977404       2.57195270       0.75500459      -0.93624788      -0.78450734 
Hf      10.91218509       3.64945335       5.36820281       0.20314737      -1.06124048      -1.84824642 
Hf      10.71629751       3.45404389       0.08725771      -0.25877227       1.87802052      -3.89991397 
Hf       2.02395611       5.30047117       7.68985776      -0.11634643       0.13408422       1.06229667 
Hf       9.05526416       9.16976783       7.83884722       0.57021533      -1.49927660      -1.04573910 
Hf       1.83819943       1.70244616       7.65905832      -0.71120738      -0.33409472       3.58535680 
Hf       7.26372085       7.21109973      10.62223815       0.56724346       0.93018456      -0.60729232 
Hf       8.97996554       9.06007198       2.97905275      -2.21439596       1.10615208      -3.64439997 
Hf       5.45895628       9.01548040       2.43813763       0.11103278      -0.31149411      -0.32460031 
Hf       5.30599989       9.25882664       7.87337733       2.01199572      -1.95047716       1.90718192 
Hf      10.87059677       0.05437529       5.39438841      -0.51429512       0.46335842      -1.02683503 
Hf       3.67340821       3.42794407       5.18660071       0.44820662       1.19158769      -2.22825444 
Hf      10.94991789       7.12341141      10.60172386      -2.87469205      -0.32749945      -0.74113268 
Hf       1.93121281       9.20072850       8.11877043      -4.09870679      -0.22590980      -1.96326147 
Hf       7.21601941       3.72524685      10.13343446      -0.22300144      -1.81788694       2.16672224 
Hf       8.72319974       5.39786705       2.47009382      -0.17426449       0.89255074      -0.88256604 
Hf       3.66791837       7.17858440       5.25665241       1.01133384       0.26724976      -0.22988910 
Hf       3.39362012       0.08838665      10.50145126       0.45485669      -0.11471640       1.43885059 
Hf       7.00034584      10.80656312       5.29709204       1.72012913       1.52214470      -1.02761076 
Hf       5.32414292       1.74475428       2.28161317       1.53385600      -1.45139877      -1.24530581 
Hf       5.20406845       1.81141212       7.61019883       3.23275137       1.85127319       1.52722619 
Hf       1.58711497       8.82474652       2.33773684       1.20630712       1.06037860       1.09361595 
Hf       3.45831224      10.55082302       5.00573690      -0.59053003       0.24523529       0.20927728 
Hf       3.35961478       3.60870952      10.30663072       2.23865869      -0.34808242       0.55202931 
Hf       7.15570893      10.71581402      10.49112508       0.62024776       0.34497358      -0.02224955 
Hf       9.07545683       1.75572760       2.33836916      -1.70733047      -0.98622794       0.98436440 
Hf       5.51635400       5.68852633       7.87977514       1.45142217      -0.00690849       1.70924583 
Hf       8.87763343       1.58290710       8.24763430       0.93759607       1.29355571      -0.30964598 
O      10.72058635       8.74461981       1.43141817       0.40614552       2.16141568       1.24149703 
O       5.12437746       7.42043175       3.68775525       0.11258470      -1.85589698       0.91295706 
O      10.70119905       5.37184250       4.16538095       0.86426327       0.43705446      -0.70765593 
O      10.89626351       1.86726899       4.02744491      -1.94714176      -0.88120943       0.98860953 
O       1.30138742      10.72852517       3.85162010       1.35234026      -0.38028034      -0.59631848 
O       1.68855724      10.53508856       1.13832115       0.05010914       1.20194805      -0.01356858 
O       1.85903906       4.20677422       0.82570972      -1.57095454      -0.97982242      -0.33415120 
O      10.58937729       1.56494200       9.34385781       0.27439054      -0.04908864       0.78273609 
O       1.71695442       0.20218991       9.22556013      -0.11261585      -1.74161326      -0.43545670 
O       1.78008245      10.87582969       6.66390555       1.45613581      -0.86135143      -1.68465749 
O       0.20176635       1.85137041       6.57661956      -0.58987525       0.65831816      -0.96542450 
O       1.53166348       3.36128020       3.45398475       0.99685137       4.26339660      -0.55852852 
O       1.76703769       7.22478673       1.11629850      -1.16052926      -1.23541141      -1.19565041 
O       2.28961873       7.01716056       8.97569838      -1.11082009       2.02324844      -0.25671428 
O       0.07246572       1.83074859       1.18813470       1.19601753      -1.40164673       2.63842268 
O       4.09851109       5.50409840       6.52650956      -2.01892000      -0.51035201      -1.31597996 
O       3.51608224       2.61585018       7.03327903      -2.38582833      -0.92039120      -0.58730774 
O       5.96125634       3.54103047       8.54061823      -0.78978840      -0.75106512      -0.58457480 
O      10.57065918       5.36454974       1.30370850       1.60477938      -0.75769819       1.98108663 
O       1.90514169       6.89523869       6.20676597       1.23625391       0.09936033       0.53602918 
O       0.06540863       8.95199454       6.96367736       0.23815253       0.78274620      -0.37562126 
O       3.35920251       1.59328003       4.40181360      -1.58692578      -1.92006047      -0.10140153 
O       5.49024344      10.91856751       3.55760931      -1.70463384      -0.68930618       0.04470667 
O       5.27000045      10.92043704       0.85239871       0.05100418      -0.17373938       0.04824237 
O       3.22328303       1.70708690       1.44121385       0.87975306      -0.26262624      -0.54602967 
O       3.56524860       1.71607685       9.30450575       0.66552579       1.20085206       0.56656149 
O       5.65567948       0.28828884       8.80323924      -0.04924487      -2.22453922       0.91761880 
O       0.14426784       9.08764122       9.56806615       2.05725699      -1.20132965      -0.51729380 
O       3.72015779       5.06718002       3.84762307      -3.65139474       2.25545483       2.41991560 
O       4.99881918       3.20087965       3.48025294       1.08044692       1.31265198      -1.46495576 
O       5.30774738       3.50374414       0.55941968      -1.81425794      -0.60810169       0.35922562 
O       9.32136140       7.27750470       6.31613104      -2.05712508      -0.58423660      -0.75564534 
O       3.80188922       5.07454979       9.02429704      -0.86148433      -0.93757638       0.69383239 
O       5.48945044       3.09224083       5.84992110       1.49823921       0.38216721       0.72103020 
O      10.95304922       5.43807272       9.34296306      -0.20787342       0.91670789       0.78163670 
O       9.15253218       0.07452008       6.33312405      -1.23786139      -1.16513884       2.71030526 
O       1.84710841       4.26971644       5.85565491       0.00285747      -1.16840605       0.57380488 
O       7.17946625       1.91323565       1.43631410      -1.37883144      -1.30850357       2.80073540 
O       8.99892841      10.95404227       0.84997955       1.66363983       1.05529541       2.88243910 
O       7.06402507       9.00073286       4.16267545       0.30982021       1.11711798      -0.32533620 
O       7.14433737       1.53957470       4.26950700       0.72674139       2.04727767      -0.19841768 
O       3.38604602       8.90734172       6.49370188      -0.32122541      -0.59179468      -0.02938222 
O       9.24235046       7.53179248       9.04475765      -0.26696134      -1.27908502      -1.09339783 
O       7.80228001       1.77378768       9.86028723      -1.18756068      -1.17598349      -1.63965087 
O       7.00574540       9.02252807       9.31559286      -0.57718468       0.11957879      -0.30373183 
O       5.29101691       7.32897621       9.24726167      -0.81325026      -1.71364237      -0.25443612 
O       8.48160197       7.17220845       3.44291294      -0.35651784      -1.86611564       1.37187029 
O       5.55482336       7.46451705       6.83930977      -2.04777276      -0.65111631      -2.99839213 
O       7.42850282       9.01118642       1.23519173      -0.84904702       2.09853397       1.69858373 
O       9.05914116       7.18397618       0.96989869      -0.52878806      -1.75537886      -0.81679075 
O       7.53282278       5.42036706       9.26021407      -0.78601953       3.88800404       0.00161397 
O       3.61868616       9.34173485       9.04166780       1.19917760       0.98729222       2.45724577 
O       8.88638224      10.55367804       9.19137450       0.57187851       1.22190899      -1.90137132 
O       7.22863864       5.60357274       6.69747203       0.96166546       0.03143605      -0.22866139 
O       5.09709220      10.53359021       6.33093341       0.53507558       2.42717839      -1.75226267 
O       0.06703637       5.54722242       6.88513458      -0.26406420      -0.94511017      -1.02113039 
O      10.39931556       8.74095131       4.10037813       4.04271763      -1.16194164       3.06315274 
O       1.73382151       7.22811473       3.63860038      -0.65945231      -2.12988452       0.81827578 
O       3.31349287       9.03615525       3.80581368       0.58979838       0.96959276       0.14340369 
O       3.76032215       5.70500153       1.36655480      -0.27791132       0.47413961      -0.61416478 
O       5.63669810       7.54363679       1.06877805      -1.85875629      -0.71290173       0.20368075 
O       9.03352658      10.93085215       3.98214486       0.28544118      -0.88638315      -2.23763490 
O       9.06971994       3.68245315       8.89532592       0.71488954      -0.82724664      -0.03792234 
O       7.01031219       5.35711259       1.21048887       1.29414080      -0.29211644       1.01796862 
O       9.02057385       3.28752058       1.09175093       0.68880098       2.33125257      -2.03754342 
O       8.83406274       3.58214922       3.45158344      -0.35095757      -0.55400532       1.01707295 
O       6.86563130       5.20021818       4.09656264       0.24496819      -0.13828248      -0.39350889 
O       3.55828760       8.96240603       1.16444511      -0.15801895       0.38113457       0.38544325 
O       9.09381262       3.63828360       6.19837586      -0.06501112      -0.06021897       0.10822967 
O       7.06511180       1.40249060       6.92570122       1.33990467      -0.28479978      -0.31461407 
O       1.55753323       3.40524006       8.61659591       0.51640026       2.14455490       1.25076952 
O       7.20335997       8.83553369       6.70292545       2.96825815       3.73595022       0.78447589 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00593442831867841 -0.0011147507626894466 -0.005396047294513112 -0.0011147507626894466 -0.01241193857270895 -0.007940601176446776 -0.005396047294513112 -0.007940601176446776 0.010368868465765594" pbc="T T T" energy=-1062.84955692 free_energy=-1062.84956056 config_type=crystal 
Hf       1.62220606       1.70122423       2.74769907       1.28131690       0.25404178      -0.29214221 
Hf       3.74737348       7.35338278      10.57153654      -3.36911361      -1.60834075       0.49140314 
Hf       5.20223474       5.17343876       2.77580512      -0.07542664       4.37472218      -2.73698915 
Hf       9.26984202       5.76396869       8.01226955      -1.21622736      -3.98929550      -2.20568569 
Hf       0.07798273       7.11595618       5.34375537       2.43542013      -2.22928424      -1.01402527 
Hf      10.82994760      10.60271162       0.10608614       0.12370580       1.46026660      -0.14259082 
Hf       7.40356816       3.55540759       5.15108795       1.09215868      -0.74492052      -0.57154461 
Hf       7.38215948       7.30392313       5.36958224      -2.11673680      -0.81725875      -1.67923831 
Hf       1.55777568       5.24745925       2.52700308       3.17569252       4.56847664      -1.20523792 
Hf      10.86035281       3.59616632       5.27546330      -0.05244489       1.52377109      -1.66660854 
Hf      10.70619619       3.47073535       0.07222076       0.85887867       0.82822182      -1.52545353 
Hf       1.94409388       5.34321721       7.70836912       0.86813743      -0.29760918      -1.99203515 
Hf       9.14689083       9.07098777       7.82974539       1.21236299       0.38492088      -3.39148523 
Hf       1.77781763       1.62111177       7.81079558      -1.73745161       0.51153176       1.10896472 
Hf       7.22704674       7.26718711      10.58227598      -0.73146648       0.88543228       2.38845088 
Hf       8.98452565       9.07330978       3.02653154       1.81572001       0.36406743      -1.37167370 
Hf       5.44261190       9.18941720       2.35341887       0.77070137      -2.38050552      -0.41714529 
Hf       5.26664265       9.16774579       7.88687478       0.64266707      -0.15961628       0.39915111 
Hf      10.86048165       0.18339095       5.37353549      -0.82865559      -2.96603299      -0.46845677 
Hf       3.80045015       3.29919321       5.08845242      -2.61630839       3.65231177       0.69704529 
Hf      10.89099060       7.04225112      10.55644804       0.34831344       1.12688054       1.71972342 
Hf       1.94022116       9.09546490       8.04612313      -2.32495911      -1.12842426      -0.56606203 
Hf       7.19052020       3.65927957      10.13036481      -0.85707944       1.41534578       1.71170006 
Hf       8.77284357       5.41804033       2.48671747       1.69477977      -1.90790332       0.45761166 
Hf       3.76422512       7.32745212       5.24687586      -0.31860142      -5.63956188      -0.01577114 
Hf       3.41351337       0.09157770      10.62559245      -0.91757357       0.66832900      -0.46392890 
Hf       7.04559423      10.84157608       5.22299855       0.28245706       3.54325524      -0.05923154 
Hf       5.31276347       1.72551938       2.35353653      -2.77191404      -2.82223358       0.02606601 
Hf       5.27473991       1.78454516       7.59648763       0.94597827       0.30600502       0.28678497 
Hf       1.70888303       8.76337572       2.36871262       0.63669456      -0.19530110       1.51713686 
Hf       3.39264383      10.47550019       4.96830454      -1.38979733       0.33158086       0.16737271 
Hf       3.40588339       3.67889935      10.25315282      -0.10860602      -0.48395462       3.46422890 
Hf       7.24380492      10.75200246      10.35038649      -0.60621985      -0.25909260       1.03884170 
Hf       8.96714319       1.69476107       2.47221325      -0.17322050       1.70999783       1.17047234 
Hf       5.64514474       5.68268054       7.86695539      -3.21472457      -1.56330947      -2.02290846 
Hf       8.95525395       1.58597599       8.19645503      -0.04731506       1.52172895      -2.66200012 
O      10.81303121       9.18559728       1.58455867      -1.01114597      -1.21012513       1.23137783 
O       5.41408007       7.10271564       3.59411908      -0.46488100       1.13776578       1.07304251 
O      10.72335767       5.42092625       4.18492237      -1.20854267      -0.77972003       1.65751103 
O      10.87338530       1.75121066       4.17147520       1.45308497       0.45689769       0.97157048 
O       1.39485339      10.19811563       4.11085695       0.52430330       2.30083673      -1.25129414 
O       1.71717891      10.87740067       1.11703849      -0.92238762       0.09031301       0.70531143 
O       1.48156520       4.09078787       0.61234849       3.12151285      -0.09962418       0.50422717 
O      10.35898992       1.61399289       9.98024219       0.06304498      -0.99122993      -2.16706568 
O       1.62005726      10.77884082       9.12821188       0.26110016       2.48970328       0.47645998 
O       2.23994500      10.86240990       6.64629818      -1.26937160       1.25308973       0.63344861 
O       0.09653671       1.78151123       6.69433839       0.40109342      -0.46099519       1.53798511 
O       1.51789190       3.65406046       3.34488508      -0.07640232      -6.80488178       2.05936121 
O       1.70688881       7.17642224       1.02779635       0.27595500       1.19226629       0.35311712 
O       1.98579461       7.03430977       9.08708477      -0.59641417       1.44714692      -1.31048690 
O       0.06432541       1.86710991       1.74557218      -3.80522442       1.11130578      -2.50367316 
O       4.00311785       5.43795177       6.35821466       1.70184974      -0.69968031       2.16193379 
O       3.28742011       2.28949493       6.87608579       2.97409680      -0.46591098      -0.03014865 
O       5.66386405       3.48385286       8.46716897       2.06266934       1.88477369       1.16601402 
O      10.85023713       5.49628140       1.74186490      -4.11476408       0.77741175      -1.97279288 
O       2.04934116       6.76287191       6.17301283      -2.71613642       0.66928039       1.04895781 
O       0.15919408       9.12997553       6.85272729      -0.18479950      -0.35337600       2.28396360 
O       2.99215722       1.38510299       4.24028670       1.75966836       1.55790065       0.59161655 
O       5.08007096      10.75910096       3.50789450      -0.11840431       1.56874236      -0.68964736 
O       5.26050477       0.01193645       0.78376800       1.24109622      -0.53237438       0.29629441 
O       3.18869483       2.08946598       1.18120247       0.43539169      -1.91269636       2.21347181 
O       4.00621873       1.83246594       9.48706031      -1.69510944      -1.68660582      -1.64302545 
O       5.87556399      10.91953493       8.54403385      -0.44377276       1.90109363       0.77125777 
O       0.01157962       8.90062087       9.57278936       0.52266944       1.36734142       0.56941787 
O       3.37460664       5.14113872       4.07057495       3.11155549      -0.53151839      -1.50359091 
O       5.14772809       3.35469488       3.29063976      -1.36905118      -0.54538023       2.48599345 
O       5.22915155       3.80311048       0.45104704       2.28642046      -1.80574505      -0.09567024 
O       8.94694197       7.31070894       6.47252615       2.50988546       0.38571338       0.50452684 
O       3.58888990       5.08671128       8.97346246       0.04180613       0.35160084      -1.26013618 
O       5.60693185       3.19573077       6.01242002      -2.35211451      -0.18901341      -1.09177977 
O      10.55842035       5.50407101       9.52986616       0.17368742      -2.59132758      -0.38394068 
O       9.06970165       0.08413715       6.60564863       2.77892425       0.28888623      -2.03449308 
O       1.79698975       3.90495790       5.94767941      -0.04499155      -0.28327510       0.73191148 
O       6.98424414       1.75605014       1.76004049       4.04020011       0.48560488      -2.99439762 
O       8.96826322       0.14726398       1.19760493       0.30157509      -1.62673058      -3.97346287 
O       7.22225031       9.14706821       3.96017280      -1.07735395       0.43911777       0.82361873 
O       7.02424942       1.79671322       4.13347450       0.04501060      -1.87050754       0.40806515 
O       3.29040573       8.74418815       6.55007214       1.57632130       1.74903326       1.26133033 
O       9.28171646       7.44204859       8.97035603      -1.47038409       0.78694094       0.78355419 
O       7.57763107       1.71085061       9.75936796      -0.60687309      -0.03159247      -0.26054199 
O       6.91144393       8.94920120       9.28919021       1.30357119      -0.88192670       0.88050948 
O       5.11031565       7.13902963       9.16878904       0.20026284       0.58202417      -1.38780090 
O       8.62208002       7.08503594       3.65525921       0.42346242       2.00946497       0.46391458 
O       5.49172425       7.54097207       6.70643409       1.55595694      -0.85980529      -2.38472668 
O       7.34864574       9.24317731       1.47793024      -0.34098104      -0.41058736      -0.98932079 
O       9.01216775       6.76666444       0.80176524      -0.34137449       2.30739050       0.19518043 
O       7.15222372       5.88970523       9.26834153       1.59312202      -3.37734254      -0.86961490 
O       3.73953950       9.29731024       9.29463428      -0.36037637       0.55965467      -0.80925778 
O       8.91033216      10.64709043       8.90779352      -0.42679716       0.41458055       3.78773025 
O       7.29317693       5.55277919       6.58889021      -0.89203616       0.05590359       0.46810547 
O       5.16869021      10.63650902       5.97361386      -0.27709368       0.18387354       1.71550639 
O      10.94541234       5.47555177       6.81046532      -1.38158843       0.80963652       1.47882279 
O      10.55813286       8.85737502       4.60430859      -3.26960268       0.46959384      -2.57119227 
O       1.61335887       6.82578740       3.78312002      -0.26176463       4.28139786      -1.11320257 
O       3.28612128       8.75911570       3.95248580       1.51638227       0.60923797      -1.99484749 
O       3.83120024       5.54791133       1.14615302      -0.91035576       0.91845523       0.85333589 
O       5.36192249       7.67963296       0.93128577       2.79936432       0.22533931       0.78104936 
O       9.27778194       0.08853390       3.53969211      -0.53783039      -2.41839170       3.22685638 
O       8.74294563       3.65691548       8.61735004      -0.29999855       0.49973263       1.54633374 
O       7.13561935       5.33971337       1.39519411      -3.27990078       1.16914656      -0.68310727 
O       8.93967803       3.94726219       0.89508807      -0.47841396      -2.40841283      -1.05684795 
O       8.99736630       3.38438027       3.60407994       0.11795498       1.34906408      -0.62496564 
O       7.14197635       5.15556580       3.96448584      -1.09286810       0.08243888       0.35630069 
O       3.41962572       9.19739481       1.12824358       0.24471072      -1.04427144       1.90723329 
O       9.04980029       3.61206600       6.18727504       1.17142212      -0.46742754       0.26656207 
O       7.16355244       1.45654882       6.73795704      -0.05734481       0.47968113       1.60731744 
O       1.02076745       3.55692664       8.87402572       2.41267087      -1.63694847      -1.80534764 
O       7.42014602       9.42689124       6.46852688      -0.08269372      -4.06966377       2.32525487 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01766768355780017 0.0014772268795298104 0.018778879812249974 0.0014772268795298104 -0.030302225578449783 -0.0007773916145262979 0.018778879812249974 -0.0007773916145262979 -0.011520530583440656" pbc="T T T" energy=-1058.20815697 free_energy=-1058.20819409 config_type=crystal 
Hf       2.02413995       1.94623151       2.52066299      -0.77144918       0.04323204      -1.70083792 
Hf       3.40350715       7.13697757       0.21304098      -0.43306335      -1.03607719      -1.15075687 
Hf       5.65591087       5.43128745       2.33487583      -0.72200874      -0.57179468       1.31111748 
Hf       9.19126471       5.50689130       7.71328843      -4.54841027      -1.68543905       3.10093702 
Hf       0.01643488       7.38554543       5.26747922      -1.48297460      -0.45527073      -0.47732973 
Hf      10.86716108      10.84409564       0.18493121      -0.50420353      -0.83952024       0.25599467 
Hf       7.02458928       3.41668009       4.78649890       3.03491576       2.42406126      -0.51588923 
Hf       7.22190399       7.37134208       5.11135600      -0.57944096      -3.58387351       0.28673594 
Hf       1.71421027       5.44111115       2.65430726      -1.17255441       0.53400013      -1.14682930 
Hf      10.81674606       3.89014407       5.33656772      -1.22077192      -1.68713159      -0.72992946 
Hf       0.05921455       3.02931373      10.42922486      -2.72081567       6.68447685       2.28944576 
Hf       1.91371826       5.29687727       7.73594447      -1.28397188       2.21045411       1.29217000 
Hf       9.33094801       9.07976561       7.95216235      -0.06817802       0.23469621       0.98823516 
Hf       1.32742250       2.00968516       7.74228658       3.82789713      -3.22855101      -0.61704701 
Hf       7.18403929       7.49003051      10.49784973       0.38830043      -3.28573946      -1.29405055 
Hf       9.09065105       9.10001591       2.91158252      -0.52455232       1.10118248      -1.79472793 
Hf       5.49678483       9.06747681       2.52155041      -0.99720994       2.25005298       0.48005316 
Hf       5.25843278       8.89598364       7.53993274      -1.40356673      -1.17455015       2.25800776 
Hf      10.73026510       0.08006864       4.99723275       2.04333630       3.64000593      -0.30931320 
Hf       3.84780242       3.47927961       5.18709592      -5.30941600      -0.37904413      -1.81291539 
Hf      10.63086383       6.69949090      10.54228862       2.51178024       0.86935567      -2.35540734 
Hf       1.60662575       8.71636243       8.22730517      -0.21161598       1.39756388      -0.18393347 
Hf       7.26168106       3.59542931      10.44907473       1.31351775      -1.15570729      -0.46879337 
Hf       9.10884196       5.41794239       2.49716227      -1.15328404      -1.03829694       1.63734949 
Hf       3.36684574       7.06785386       5.27238131      -1.88646403       6.32026600       1.79534005 
Hf       3.45917776      10.74553075      10.17398112      -0.47323193      -0.27967636      -1.04568044 
Hf       6.82154973      10.90795936       5.65185245      -0.08819812      -0.76527208      -4.87641707 
Hf       5.35224024       1.52124805       2.41207245       1.55017920       1.99031982       1.07093568 
Hf       5.44698104       1.60884248       8.01080339      -2.29068016       0.44087128       1.14172464 
Hf       1.97411760       9.40153117       2.54478785      -1.55754207      -1.64630186      -1.63894035 
Hf       3.27386337      10.87674090       5.13175295      -0.77078158       1.29095309       2.57500003 
Hf       3.60407721       3.66605169       0.04824333      -0.06308217       0.45453204      -3.02054383 
Hf       7.09871308      10.93789159      10.60597259       2.18899835       0.46056281      -0.66674074 
Hf       9.23758909       1.80775786       2.60797438       0.23197253      -0.32060855      -1.53714152 
Hf       5.63445562       5.30351704       7.95493715      -1.87940347       2.04186720       2.27645900 
Hf       8.83684764       1.43038030       7.71624468       0.11198634       4.48702261       3.73674640 
O      10.94535526       9.52304646       1.60484922       0.75215778      -1.81136589       3.69997381 
O       5.38795340       7.37054021       3.34896438       1.14198282      -1.71893030       1.40057512 
O      10.92554681       5.60517988       3.86782337      -2.27978574      -2.62084119       1.86861981 
O      10.67710932       1.97613942       4.17822185      -0.17895240       0.42957286      -0.34410267 
O       1.59778152       0.15660057       3.61618531       1.35861919      -0.42722947      -0.56459432 
O       2.07884118       0.10322130       1.00166187       0.17589315      -1.80590276       0.61705506 
O       1.78816513       3.08371246       0.75474626       0.60831358       2.22025452       0.50153622 
O       0.39594086       1.43194602       9.61050764      -0.30803518      -1.29351455      -3.61540620 
O       1.84322813      10.77274304       8.50970357       1.88729913       0.57291322       1.76100828 
O       1.39478535       0.40547148       6.13657194       1.26025205       0.23735216      -0.88798609 
O      10.67415131       2.32012035       6.79355809      -1.56120814      -0.02692055       0.77623684 
O       1.84331906       3.69511007       3.59630546       0.12447941      -1.07482608       0.11149972 
O       1.51597405       7.36836325       0.89282133       0.11107175      -1.12710827       1.80416782 
O       1.24772592       6.86400346       9.13875138       1.03485545      -0.46554324      -1.94365590 
O       0.22541751       1.76178396       1.52947154      -2.01023890      -2.07787348       1.70013277 
O       3.62440991       5.96025496       6.96954393       2.24913500      -2.76707752       1.54629001 
O       3.71769488       1.78886106       6.62435599      -0.18016934       1.65855987       0.93701208 
O       5.73266203       3.45016262       8.82815904      -0.77476599       0.16572828      -1.26469597 
O      10.78713210       5.36444194       1.40248571       2.12872901      -1.05377808       0.13236750 
O       1.54379484       6.75438572       6.30718833       0.84587514      -0.48241727      -0.98248770 
O       0.31158995       8.69445339       6.75766746      -2.27957798       2.82027624       0.31835599 
O       3.76965185       1.73242035       4.16562616      -0.71612142      -0.41865323      -2.51638452 
O       5.22553048      10.63530868       3.76616645       0.95249613       0.51661313       0.86065567 
O       5.07597878      10.95221163       1.24723396       0.61160929      -1.48458115      -1.66017682 
O       3.72433027       2.08050715       1.25177946       0.29526232      -1.72845560       4.19111121 
O       3.91083765       1.51211590       9.34171777      -0.21856318       1.19075128       0.07865703 
O       5.45704347      10.34684432       9.35490655      -0.55795233       0.19553383      -1.22539964 
O       0.03038811       9.24866363       9.64443445      -1.48227322      -1.49085191      -1.90530758 
O       3.59932406       5.52630424       4.43809548       0.94900539      -6.45244362      -3.24609325 
O       5.46800692       3.78879001       3.43390975      -2.32050170      -3.69624677       0.02695177 
O       5.43960295       3.60460201       0.73306991       0.54847354       1.09742071       0.34700352 
O       9.37532683       7.40353519       6.56860923      -2.59008238      -0.60255564      -3.05090642 
O       3.82877272       5.57888011       9.59995326      -0.78050120      -1.79329761      -1.15445592 
O       5.47949812       3.55195810       5.91338027       1.58681783       1.56778507       5.28855015 
O      10.58336573       5.05946919       9.28518191      -1.72662805       1.67811056       2.32455954 
O       9.50389899       0.13359757       6.44025852      -2.18882596      -2.49067062       0.76639480 
O       1.79598509       3.59887662       6.45510554       0.84350129       1.26068160      -1.75041860 
O       7.19024641       1.83598249       1.08781544      -1.58278193      -1.50403003       2.16695298 
O       9.08192843       0.11381542       0.99602159      -0.80991610       0.59966744       0.17681687 
O       7.56092371       9.14870821       4.34423099      -1.97035016       0.87975978       0.10162694 
O       6.81359764       1.57094151       4.16436376      -0.69772164      -0.86867133      -0.68084469 
O       3.02742437       8.84197582       6.82725042       2.33203329       0.68541286       0.07927900 
O       9.13381342       7.30771018       8.77820741       0.07331964      -1.36363784       3.65674423 
O       7.33386083       1.57710645       9.18585061      -3.02536778       0.10762774       0.75252216 
O       7.73502924       9.10053818       9.73221735      -0.86428119      -0.35131398      -0.48702486 
O       5.57410318       7.22541265       8.79680200       0.74679806       2.63414463      -0.32331418 
O       8.85373752       7.16596649       3.88682122       1.30416427       0.24531929      -0.99839467 
O       5.10082239       7.70276535       6.05248146       3.41276332       0.71598879      -1.57010971 
O       7.22513196       9.35988664       1.49828127      -0.41078022      -1.77459509       0.84817650 
O       9.14621977       7.15943222       1.31967963      -2.19951926       1.05096264      -1.10051592 
O       7.17608896       5.45665815       9.49584029       0.68481441       0.33729700      -0.13443428 
O       2.93996722       8.68431470       9.67068107       3.62386242       1.57895718       1.57252382 
O       8.79875111      10.84297659       9.01438581       2.74853512       0.63365336      -1.64063038 
O       6.86370009       5.92754648       6.65949037       2.17577731       0.25878175      -0.56365291 
O       4.88450241      10.73693631       6.59671857       3.43626303      -0.33808235      -0.89562302 
O      10.70823685       5.26407139       6.78570889       6.05889365      -0.04183668      -2.07286314 
O      10.63605270       9.29223334       4.24557272       0.68884045      -4.12004467      -0.91171072 
O       1.70676677       7.03693811       3.71384690       0.95457193       3.89850724       0.41901537 
O       3.34562441       9.15503508       4.13289033      -1.68418594      -0.52327287       0.16847514 
O       3.36680586       5.11018254       1.38414622      -0.29530597       2.06837678       2.40699204 
O       5.49769100       6.73001662       0.78564700      -0.20026969       2.59383208      -0.31356897 
O       8.78716339       0.07018523       3.71930468       1.99383940      -0.13206689      -0.65551979 
O       9.01991440       3.38430971       8.72485419      -0.87136132      -1.13493554      -0.12099439 
O       7.34305872       4.89420340       1.50430026       2.11371436       0.96677218      -0.95180479 
O       9.34664928       3.24042906       1.13839864      -0.59898346       1.16330573      -2.15122541 
O       8.57461337       3.44267879       3.55132035       2.02359989       0.72248803      -1.63420921 
O       7.00019750       5.41330120       3.89222054       1.23373743       2.51997255       1.53418218 
O       3.67546498       8.67123718       1.67790914       0.12786592       0.41901579      -1.00269063 
O       8.87276130       4.12336313       5.95485973      -0.96431460      -0.43656744      -0.36239263 
O       7.08860398       1.68272492       6.65989894       0.45538203      -1.04404125      -0.18878095 
O       1.53709010       3.78989974       8.97689488       1.42434819      -2.85816601       0.33022345 
O       7.40269015       9.36011573       6.88807817      -1.76494081      -0.13778146       0.43439616 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.004735535521802566 -0.005858180938449505 0.007388603944357344 -0.005858180938449505 -0.020426744270964713 -0.01402904577947016 0.007388603944357344 -0.01402904577947016 -0.028225927199848455" pbc="T T T" energy=-1064.40899417 free_energy=-1064.40899529 config_type=crystal 
Hf       1.67037367       1.79976195       2.41217151       2.92850036      -0.68553516      -0.09594359 
Hf       3.17502568       6.99306766       0.11236724       2.04890284       1.65354359      -1.31083249 
Hf       5.51684537       5.53966201       2.50758273      -0.34521223      -0.60806183      -0.55103292 
Hf       8.87860928       5.42054980       7.81006665       0.90524445      -0.64988744      -2.04174818 
Hf      10.85308394       7.30336996       5.49804338       0.35644801      -1.48860263      -1.07693322 
Hf      10.82587000      10.69504419       0.10882353       1.85787059       1.61755068       0.09978456 
Hf       7.36859135       3.49779908       4.87595182      -1.37736970      -0.90211893       1.68636001 
Hf       7.10225746       7.06915577       5.28018310      -0.54679697       6.93120466       0.47652842 
Hf       1.97475425       5.37648948       2.78799031      -2.13805535       0.86048235      -0.22036603 
Hf      10.84593011       3.67918618       5.27832239      -1.69430531       2.83408308       0.23077148 
Hf      10.83281052       3.65724099      10.57208054       1.45537085      -3.66797996       0.58376985 
Hf       1.95095245       5.24810664       7.71768948      -0.20403498       1.57575438      -1.98149776 
Hf       9.01293543       9.12915044       8.04829698      -1.45252782       0.17640081      -5.03675870 
Hf       1.71743583       1.66099534       7.81318179      -4.93207840       1.61990497       1.13415667 
Hf       7.33932897       7.44209877      10.53771815      -0.93863116      -2.20470140      -0.71550240 
Hf       9.06247583       9.07316692       2.49658480       0.44537162      -1.74629261       0.11996027 
Hf       5.52319547       9.03431804       2.41860535       1.83762326       0.78952976       0.59838734 
Hf       5.25825879       8.81098348       7.75243440       0.79366134      -1.01847830      -1.00539944 
Hf      10.71651827       0.08677349       4.94530509      -0.94772971      -0.57203963       0.85950569 
Hf       3.75271047       3.43372073       5.14991961      -2.12547444       1.65301675       0.57177321 
Hf      10.86356839       6.82332131      10.39067050      -0.79731504       3.96518779      -0.76463773 
Hf       1.73073280       9.14159470       8.36785085       0.73327962      -3.21078119      -2.52564828 
Hf       7.37568909       3.64577400      10.47496581      -2.09079745       0.00576904       0.23914772 
Hf       8.98929929       5.57708365       2.57832574      -0.01167500       1.43387515       2.82557592 
Hf       3.51449658       7.07407753       5.04768755      -0.81083603       1.45045616       2.97801670 
Hf       3.60251511       0.12577740      10.19498020      -0.64220209      -4.21412368       4.69785352 
Hf       6.94201248      10.73479825       5.07731025      -0.42679117      -0.34787078       0.85989858 
Hf       5.38782916       1.92084679       2.49363823      -0.77890875      -2.74624655      -0.00872680 
Hf       5.19423445       1.64488782       7.87727063       1.69217944       1.87447181      -2.15615561 
Hf       2.07837555       9.34875633       2.52265317      -2.90120298      -0.61330746       1.93585966 
Hf       3.30721946      10.75454239       5.38984314      -0.48145924      -1.34792544      -3.08570503 
Hf       3.61010170       3.60125341      10.40937106       1.35406720       1.24851730       1.71256860 
Hf       7.14160812       0.00046344       0.11028533      -1.58083329      -0.54449893      -0.64713867 
Hf       9.07327626       1.76618269       2.46779084      -0.65575302      -0.04402808       2.33257944 
Hf       5.54255078       5.38210816       8.03439361      -3.08856443      -0.26703496       0.64532222 
Hf       8.81523912       1.70629040       7.89333604       0.31862785       0.37660491      -1.94262342 
O       0.16913928       9.16264698       1.65867607      -1.36916450       0.69702986       1.73450466 
O       5.50693852       7.37756618       3.59476192      -0.98712162      -1.42417610      -0.25651430 
O      10.94272735       5.52699195       4.15845542      -0.48592118      -1.21640031       0.50831687 
O      10.57461036       2.13908176       4.12113806      -0.48426529      -3.67887348       0.02792430 
O       1.81642482       0.18128488       3.75483232      -0.80705314       0.03693199      -0.66852669 
O       2.01662414      10.92055329       1.10917208      -0.06331146      -0.55019955      -1.39240475 
O       1.93155408       3.67950434       0.81872987      -2.72999945      -0.34572422       0.54956350 
O       0.37660538       1.65959582       9.95248721      -1.00619269       1.27247505      -1.15434563 
O       1.93344871       0.02747031       8.90068230       0.96664434       0.48197220       2.44869357 
O       1.75347581       0.05882857       6.51001686      -2.14532377       0.19440617      -0.59610613 
O      10.73039854       2.07724730       7.07102388      -0.23297860      -0.79125887      -0.40000459 
O       1.53201451       3.45012624       3.45278760       1.90802696       1.80971420      -0.34163406 
O       1.35522685       6.64651623       0.94736139       1.31558027      -1.17165813       2.11200377 
O       1.85654394       6.80351758       9.09215087      -1.99629779       0.61989847      -0.68850810 
O      10.95453606       1.53445310       1.62901521      -1.68124295      -0.61079930      -0.19682624 
O       3.87080859       5.29722808       6.77093097      -1.45178208      -0.44482211       1.19878349 
O       3.34983808       2.10269458       6.97449619       4.08033328       0.30039152      -0.49060509 
O       5.36137941       3.61227855       9.13149061       2.25366502      -0.24406789      -1.96324710 
O      10.33077011       4.57017784       1.66856242       2.90037213       0.83552039      -2.30187951 
O       1.77175546       6.73091994       6.15391124       0.54333527       0.19678497      -0.54349576 
O       0.10668975       8.71080522       7.26965768      -1.66986348      -1.08136754       0.04013436 
O       3.81603232       1.62667183       4.55661319      -0.28430147      -0.83620309      -1.81632098 
O       5.29222513      10.73411251       3.52691861       0.41871237       0.09002786      -0.40512501 
O       5.39066688      10.61618827       0.97615811      -1.46025675      -0.18289307      -2.97092049 
O       3.76632955       1.67117324       1.34724127      -1.05846095       1.07596642       0.65526277 
O       3.93688697       1.83602532       9.51598862      -0.74914200       1.02576597      -1.23574504 
O       4.64182165      10.79221174       8.35083754       1.40877221      -0.61338575       2.52850536 
O       0.53723140       8.90239761      10.01937849      -1.44818048      -0.74164014      -1.24400598 
O       3.86209627       5.38347547       4.07907794      -2.01079774      -0.96388006      -1.50380787 
O       5.35149698       3.51413799       3.59309635       0.90266437       1.42699882      -1.31948824 
O       5.53015144       3.68182724       1.13569451       0.36124124      -0.55833978      -1.25611693 
O       8.85873149       6.59813300       6.03881735       3.60474508       0.89246985       0.01197555 
O       3.71024611       5.44381169       9.59915258       0.81813269      -0.65519812      -1.21696407 
O       5.47455390       3.61308776       5.82342311       3.33699810      -0.54985671       3.70193349 
O      10.39373425       5.25367327       9.34700602       0.74586145      -1.34539059       2.02556612 
O       8.85129379      10.58466939       5.93566981       2.36628530       1.20083903       0.45061580 
O       1.65364923       3.65624826       5.85687066       3.46599103       0.30550436       2.31942035 
O       7.07893432       1.29993773       1.61803109       0.96206616       1.80297183       0.71435582 
O       8.90412351      10.71192366       0.77669866       3.61738645       0.07920228       0.24420633 
O       7.38972504       9.09085932       4.03685392      -0.10422377       0.58537984      -0.71291976 
O       7.41940725       1.45732198       4.12453222       0.05664175       2.00956082      -0.54172324 
O       3.39802948       8.83456847       7.12859788      -1.47293573       0.58085527      -0.52145127 
O       9.01817897       7.29229684       8.48414157       0.80980420      -1.10182688       3.17029585 
O       7.12911872       1.59096261       9.44928623      -0.07919923      -0.82304813      -0.39739660 
O       7.60425842       9.24922250       9.61789661      -0.34138272       0.57984418      -1.73473253 
O       5.89482244       7.11736030       8.87566620      -0.89451753       2.62668206      -0.26230352 
O       9.17790913       7.39851318       3.57448997       0.71465300      -0.30408573      -0.03122132 
O       5.15897114       7.45481737       6.25540544      -0.16452925       0.35699243      -1.45032032 
O       7.33312821       8.90547559       1.41632839       0.42396124       0.39644189       0.70512971 
O       9.20075129       7.06224888       1.00284094       0.84637888       0.78904052      -1.51003435 
O       7.52035146       5.45422745       9.58298544      -0.30734156      -0.30580579      -0.20616043 
O       3.34437411       8.82007269       9.72721374       0.72825101       0.95125737       0.43300760 
O       9.86501971      10.76823859       8.57808492      -0.59212828       2.75430475       2.13206344 
O       6.82397626       5.89047116       6.75608353       1.66490449      -3.79157209       2.05158271 
O       5.09131905      10.72880729       6.04950874       2.93735837      -0.26987517       1.41186857 
O      10.84187672       5.25848569       7.00428567       0.32657287       0.17795473      -0.24495752 
O       0.25893564       9.17950870       4.80679837      -0.94427900       0.16053513      -1.00959246 
O       1.64505885       7.28027296       3.50917253       0.87835662      -2.46146722      -1.44248480 
O       3.01174381       8.83031907       4.31026687       2.02499223       3.70636570       1.28442038 
O       3.62084965       5.45794800       1.42945701       0.74529035       0.33895961       2.20535047 
O       5.57394761       7.33484205       0.71332590      -1.68011121      -0.95183507       1.48026476 
O       9.51411820      10.86707300       3.14469945       0.89562988      -0.11112336       2.71513416 
O       8.62399765       3.51067030       8.81474779       0.93247098      -1.56593159      -0.14425081 
O       7.29337611       5.51661738       1.46986932       0.02088469      -0.94063167       0.31234527 
O       8.97723191       2.82938842       0.84792561      -0.84903522       1.63017832      -3.72351440 
O       8.73593193       3.60247589       3.41679866      -0.71254526       0.68417701      -0.59698895 
O       7.23070275       5.60132413       4.16863842      -0.15248796      -5.61636369      -3.67053770 
O       3.74513473       8.71379796       1.73649417      -2.57790079      -1.12905600      -0.97314880 
O       8.83166852       3.69685021       6.25875783      -0.62225803      -0.13441298      -0.60919346 
O       7.07953011       1.57380234       6.69416259       0.14608109      -0.19369385       2.04296901 
O       1.83330232       3.56922947       8.76560333       0.38989702      -0.31609392       0.95068385 
O       7.28453210       8.70832226       6.71001075      -0.59444347       2.08806475       2.15422619 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.021528327677617302 -0.0006120282790734879 0.0036786001202895597 -0.0006120282790734879 -0.026521234156308568 0.009649966532578678 0.0036786001202895597 0.009649966532578678 -0.002688150197728812" pbc="T T T" energy=-1057.97006089 free_energy=-1057.97009977 config_type=crystal 
Hf       1.52883639       1.72243757       2.49745872       3.93697792       2.31541018       3.76802393 
Hf       3.58734499       7.00341012      10.25158547       2.39744651       1.38016206      -1.90163296 
Hf       5.37221829       5.05672274       2.25147985      -0.34188089       0.38584266       2.53538950 
Hf       9.22878266       5.68671344       7.97656111      -0.00021286      -2.34266535      -0.30830921 
Hf       0.06399991       7.32352845       5.18153227      -0.74113672       1.42637485      -0.62461864 
Hf      10.78638447       0.13948719       0.18022904      -1.86057016      -6.99581718      -0.25486835 
Hf       7.35827606       3.58817524       5.62449330      -0.14635977      -0.98015046      -1.64376826 
Hf       7.09126037       6.82403586       4.78976540       2.59944128       5.10568366       1.65866468 
Hf       1.81088952       5.48462882       1.97683255       4.38278554      -0.00109463       3.14484560 
Hf      10.70426706       3.78438394       4.86548991       0.34201904       0.26178517       0.61546460 
Hf      10.80854539       3.32331963      10.39848750      -1.99888860       7.65591567       1.74785008 
Hf       1.59135330       5.32487467       7.66162799      -0.28494255       1.47512112       1.03664008 
Hf       8.82013930       9.29702144       7.66813963       1.18584265      -3.23264516       0.52409958 
Hf       1.88747130       1.53607250       8.27498910      -2.95508317      -2.74275410      -0.83642238 
Hf       6.93133213       7.01483066      10.23632573       1.56804656       1.46069731       4.78396067 
Hf       9.05248133       9.07467019       2.57931668      -0.17902939       2.52668512       0.30353747 
Hf       5.46442048       8.99091825       2.41505197      -0.21077464      -1.32809284       1.43047282 
Hf       5.44144969       9.38953358       8.20786526      -0.11326804       0.08098407      -3.02883308 
Hf      10.83170791      10.79494340       5.50833640       0.91935864       1.62654760      -0.01074197 
Hf       3.11750603       3.53918417       5.35656692       2.36737895      -2.89027736      -2.85756054 
Hf      10.85870294       7.19804850      10.45428932      -0.69144421      -0.94673364       1.31808259 
Hf       1.59004417       9.08472670       8.16732891      -0.89739550       1.25751673      -1.90179200 
Hf       7.32184364       3.68607685      10.39941700      -0.18605516      -2.25234847       1.96725080 
Hf       9.17898040       5.68750567       2.34267667      -2.09822075      -0.88638728       0.83439000 
Hf       3.78725266       7.07364422       5.06543266      -2.61978864       3.16508002      -2.25171801 
Hf       3.23656871      10.73193413       0.23311257       2.37505761      -1.62716909       1.40770994 
Hf       7.34526603      10.83808189       5.21497929      -2.22490827      -3.07358156      -2.45704587 
Hf       5.64261598       1.70040188       2.43477738      -3.81439347       1.40708308       4.39098606 
Hf       5.21546028       1.90068249       7.70810095       1.36059882      -1.22340548       0.62960938 
Hf       1.71834791       9.04577286       2.97337102       0.95217778       0.05598418       0.43498496 
Hf       3.52144553      10.54291509       5.49235389       0.44021155      -0.25422518      -1.00929717 
Hf       3.48925329       3.56124791      10.06871512       1.88593511       0.47316981       0.47331884 
Hf       7.22081683      10.71527466       0.06909520       4.95500364       0.64862541      -2.07567571 
Hf       9.19425701       1.86724620       2.93333445      -1.69356282      -3.72106452      -2.72399219 
Hf       5.34259118       5.37108204       7.60534732       2.62540531       0.33684895      -0.35192017 
Hf       9.03802193       1.64737867       8.01912866       0.54985910       1.18264132       0.34319067 
O       0.17092434       9.05633204       1.78298690      -1.30826727      -0.11738241      -1.15660862 
O       5.48338969       7.07964230       3.77976987       1.61988109       1.96756931      -3.61341892 
O      10.41826155       5.61691671       4.03339141       0.58295786      -2.02908256       1.22193694 
O       0.11129280       1.81585127       4.29841373      -0.72137018      -0.28237274      -2.28298760 
O       1.69574087      10.66183721       4.36214787       0.24396887       0.35250787      -1.10612370 
O       1.55210475       0.14192370       1.35155197       0.13133691      -0.16947963       0.15475213 
O       2.07657044       3.79454749       0.78953966      -3.04835202      -2.21374303       0.00545398 
O       0.41207127       1.68298677       9.83884843       1.20873369      -0.41504081      -3.03270578 
O       1.79108337      10.54390419       9.58246345      -1.56170356       1.22960813      -1.16933018 
O       2.20266808      10.88171065       7.04092234       1.31378281      -1.06946612      -0.45203123 
O       0.17450136       1.44013081       7.15604408      -1.38588697      -0.04403073       0.70517184 
O       1.94330900       3.70435748       3.29425649      -1.32674119      -0.26029633       1.60844517 
O       2.04666998       7.10461716       0.67917237      -3.42172640       0.23629411       1.30672209 
O       1.92063095       7.28034318       8.71004140       0.98014591      -3.77929027       0.41318170 
O      10.63394663       1.80230035       1.40043123       0.42977134       1.60448910       1.89808889 
O       2.99507382       5.51620719       6.13562543      -0.10134247      -1.35016419       1.43534571 
O       3.31493052       2.36814871       7.32537851       0.60005428       2.29455768      -1.99046300 
O       5.37948956       3.26610970       9.26216321       0.14220719       0.73295185      -0.35037987 
O      10.95133526       5.40521436       1.36270412      -0.93598769      -0.66034128      -0.70223080 
O       1.88968244       7.99253457       6.19861289      -2.29426845      -1.22737235      -1.65280366 
O      10.84743963       9.62601522       7.14178464       0.66796475      -0.31650755       0.05630522 
O       3.58220027       1.51880179       4.74960224      -0.63994025       1.68973525       1.39728983 
O       5.70819553      10.71445986       3.28689134       0.27597855       2.55592226       1.39165285 
O       5.55252282      10.55085304       0.73932465      -3.36643285       0.77704127       1.32413450 
O       3.57427372       1.74042152       2.19525063      -1.34630795      -1.11147630      -2.13668731 
O       3.49472702       1.30017032       9.65967910       0.58398200       4.46312626      -0.44861974 
O       5.89326121       0.32625861       8.85562044       1.22862070      -2.22794047       2.29198436 
O       0.18196766       8.88249527       9.71740785       0.07143472       1.66738341      -0.26112699 
O       3.69009814       5.79376737       3.39633922      -1.63184623      -1.72531678      -0.49508665 
O       5.64666740       3.46413184       3.69840105      -0.98326702       0.89723708      -1.74615346 
O       5.61628313       3.42485415       1.08466500      -0.59139220      -1.36348584      -0.94185799 
O       9.30881339       8.03597116       6.07975441      -1.20830636      -1.16690754       1.23345612 
O       3.73212853       5.28878254       8.75273066      -1.48911004       0.09128791       1.07974659 
O       5.30830328       3.66826272       6.48322062      -0.46255362       1.33436887      -0.58838306 
O       0.06740065       5.47305008       9.32163013       0.43886915      -0.56982866       0.17824581 
O       8.75690379       0.07095314       6.65935867       1.14700936       2.71663778      -1.29490046 
O       1.32104556       3.63528023       6.05724836       0.44969848       1.01764611       1.65602357 
O       7.44057972       1.57468024       1.93450128       2.44137301      -0.52840615      -0.57882069 
O       9.00551154      10.63989376       1.23314926       0.86589133       1.29828100      -2.18845630 
O       7.46441100       8.96836642       4.05958159      -1.93212355       0.68618290       1.09915524 
O       6.79120369       1.78633329       4.95093059       1.84250415      -0.51349232      -0.38860076 
O       4.13634511       8.71177920       6.45218543       1.98482498       1.08770635       2.44678589 
O       9.37140096       7.32390687       8.90623754      -1.21502253       0.89775852       0.43837352 
O       8.01395256       1.69224897       9.92231393      -0.14675294       0.21797055      -0.14123029 
O       7.41049904       8.77708113       9.32182166      -0.96992343       3.16204210       0.00179971 
O       5.54347141       7.25471743       8.89963215      -1.51368475      -1.05840190      -2.16036414 
O       9.04329758       7.46912887       3.42399513       0.35130941      -6.47894834       2.09518699 
O       5.36515550       6.33712975       5.79353075       2.17080478      -1.95123468       4.95591474 
O       7.34538896       8.66639737       1.58969726      -1.34819486       1.53418037      -2.09505131 
O       9.04398200       7.10027124       1.02287671       1.68494905       0.64250279      -3.18200834 
O       7.16113906       5.25126065       9.22593873      -0.23810996       1.28644902      -0.35038255 
O       3.86875007       8.99243303       9.63760192       0.02546809       1.62394816      -1.14043211 
O       9.57798620      10.80837338       9.03850206      -1.17453138       0.70128671       0.52757267 
O       7.53902245       5.55186601       6.87328739      -1.06130102      -0.48239348      -2.06155975 
O       5.24753375       0.15845718       6.64688990      -1.21031363      -0.74761342      -1.67354903 
O      10.76013784       5.98264267       6.75560129       2.02067496      -1.37699595      -0.24607415 
O      10.77483126       9.20584583       4.38988967       1.39294978      -2.19309455      -0.93299576 
O       1.28279542       7.04029788       3.37275378       1.18353847       1.64646021       0.52451027 
O       3.73609548       8.89868090       3.94515137      -1.11185164       0.22606063       1.10797696 
O       3.80927323       5.40959578       0.82853257       0.79208337      -2.18668416      -0.41693967 
O       5.29256992       7.44035545       0.95355639      -0.17839246      -1.27136208      -2.18448010 
O       9.10631484      10.76767074       3.95387788      -0.22338965       4.06737875       0.58181995 
O       9.32108969       3.76377538       8.87166311       0.36029645      -1.81367030       1.46201014 
O       7.16900174       5.32843176       1.27124477      -0.62907565       1.76395018      -0.70431654 
O       8.88131377       3.69388990       1.09371453       2.51981156      -0.29460804      -0.53904371 
O       8.91293662       3.41819312       3.89031019       0.09325530       0.26403828       0.30692442 
O       7.55489156       5.20871434       3.98725443      -0.20469582      -0.39903757      -0.40626767 
O       3.53050746       9.41009328       1.64994211      -1.48353045      -1.01813095       0.70209446 
O       9.48785897       3.39260812       6.33504747      -2.40282307       0.08627081       0.41550221 
O       7.13995355       2.36678535       7.43096168       2.77177787       0.41009157      -0.61389298 
O       1.74644206       3.69143948       8.92378081      -0.32824893      -1.16166073      -0.42626934 
O       7.06567691       9.36752911       6.57726336      -1.13293198      -1.32856494       2.70085140 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025773012203474544 0.004274233284330796 0.003119894701436902 0.004274233284330796 -0.022535111442315212 0.0019178344884758915 0.003119894701436902 0.0019178344884758915 -0.0025053654995887457" pbc="T T T" energy=-1060.07917088 free_energy=-1060.07917849 config_type=crystal 
Hf       1.56222349       1.77261693       2.54578091       2.40404560       1.40499084       2.38130280 
Hf       3.58364931       7.02582511      10.23707593       3.28670792      -0.77190576      -0.84809021 
Hf       5.35671127       5.05408848       2.28697741       1.61653657      -0.09037903       2.79667838 
Hf       9.21707091       5.69660123       7.89384113      -2.17547059      -0.88712446       1.44780365 
Hf       0.02516319       7.27437282       5.13941826      -1.59845112       1.85117734      -0.22858685 
Hf      10.75888315       0.12926678       0.18185167       1.56021617      -4.62455758      -2.05940148 
Hf       7.37533532       3.50886519       5.64779292      -0.50664237       0.81267969      -2.10665879 
Hf       7.08189047       6.81589139       4.79351521       2.68766574       4.14180246       2.71960038 
Hf       1.82738192       5.53206742       1.96084759       6.14358620      -0.73882650       3.72135963 
Hf      10.74653355       3.78650743       4.93028110      -1.56515626       0.49395808      -0.42714791 
Hf      10.81971875       3.35340010      10.36866231      -2.20333028       7.22047739       2.64516954 
Hf       1.55660569       5.33955856       7.65768877       1.41270180       1.32379185       0.27371021 
Hf       8.82090841       9.29529522       7.64609009       0.75588509      -2.99264112      -0.31518074 
Hf       1.84118757       1.52759629       8.28027405       0.49232503      -0.51162615      -0.22540675 
Hf       6.88882757       7.01032807      10.22627134       3.17411617       0.84974384       4.07761921 
Hf       9.06388752       9.12496020       2.60631541       0.21677326      -1.27101018       2.24610204 
Hf       5.47239699       8.97709868       2.40932369      -3.75867975       0.12338731       3.34412373 
Hf       5.40742780       9.39451834       8.21864328       0.89866032      -0.44618646      -4.14105287 
Hf      10.79498767      10.82746037       5.44919590       1.78416005       1.25888490       0.69614146 
Hf       3.10122530       3.48085574       5.37657304       2.06361341       0.81429419      -0.50112002 
Hf      10.89422613       7.18415005      10.45201397      -1.47911700       2.23935609       1.93770420 
Hf       1.64576672       9.10401167       8.10588639      -0.68429957      -0.36413914      -0.05630883 
Hf       7.28540212       3.68025067      10.41669444       0.11323542      -3.13558471       2.90516109 
Hf       9.19447657       5.71081533       2.37882090      -2.49720302      -1.15413506       0.03426394 
Hf       3.80967159       7.08445319       5.06975973      -0.64936235       0.12801774      -0.18260648 
Hf       3.24181280      10.69584649       0.25804565       3.19975308       1.54817637      -0.13945899 
Hf       7.37643125      10.79049823       5.18101868      -2.70798223      -2.48269141      -1.40285197 
Hf       5.59271217       1.69579411       2.44197587      -3.22867797       1.65450136       3.82216417 
Hf       5.21510158       1.84929403       7.69464442       0.81205854       2.49719096       0.61143882 
Hf       1.71994420       9.04112873       2.92597450       1.52214897       0.82268280       0.36186480 
Hf       3.55900182      10.55106525       5.47068083      -0.44962687      -0.67902017      -1.14729059 
Hf       3.49694967       3.57001786      10.05089847       1.54376852      -0.23850208       0.43352142 
Hf       7.25432466      10.71774721       0.08968027       2.31029928       1.57489001      -1.33816165 
Hf       9.21824024       1.82007087       2.93205663      -2.47296446      -0.30188014      -2.24308684 
Hf       5.37330994       5.39442730       7.69213343       0.85846119      -3.03196620       0.35716596 
Hf       9.02332062       1.63714106       8.01326942       1.62065610       2.14446957      -0.00241845 
O       0.14666545       8.90896069       1.82912229      -2.18262390       0.52816303      -1.05407941 
O       5.52940665       7.08793424       3.67365174       0.08081803       1.31819497      -1.73007391 
O      10.45022974       5.58136964       4.15920880       0.27839830      -1.61055142      -0.54227674 
O       0.08431639       1.99584039       4.20204261      -0.30009576      -3.24702295      -1.58792113 
O       1.67061799      10.76680325       4.30754967       0.39371465      -0.21908018      -0.99105158 
O       1.69407128       0.14261491       1.36884652      -3.58594664      -0.40577340       1.00117934 
O       2.05716835       3.86433940       0.75907397      -3.05497615      -2.19111661       0.01882843 
O       0.33971368       1.72946256       9.77636734       1.13630878      -1.72717877      -2.14490000 
O       1.74815130      10.70378773       9.65054113      -0.54209479       0.08008648      -2.98908214 
O       2.30127658      10.85706250       7.12484276       1.10404277      -1.45822081      -0.95859852 
O       0.21373984       1.42136713       7.28659605      -2.16821516      -0.14245470      -1.69737495 
O       1.84253549       3.73379428       3.34986774      -0.81306444      -0.19779115       0.86342886 
O       2.06231296       7.18373274       0.65182311      -3.25164375      -0.48658960       2.27962897 
O       2.16386237       7.08983127       8.83973827      -1.79818200       1.29812497      -2.10871031 
O      10.61946630       1.80313191       1.36820612       1.35458501       1.49672135       2.05830712 
O       3.01225798       5.56294077       6.21990830      -0.49586552      -0.92261636       0.81735628 
O       3.38375589       2.48716473       7.33299493      -1.78605217       0.26677779      -0.79544853 
O       5.33175099       3.30446425       9.27014846       1.93805100       0.00465268      -0.99708616 
O       0.08092080       5.42573495       1.34926322      -3.85018113       0.22164903      -0.78247872 
O       1.91548941       7.94190886       6.21751380      -2.24637739      -0.57667303      -1.02674014 
O      10.89122309       9.55359124       7.16029547       0.80280679      -0.40938422      -0.82642799 
O       3.44711477       1.69498753       4.89186864      -0.32111472      -1.49238508      -0.28792168 
O       5.73239481      10.78964673       3.42422897      -0.81248506       0.52663172       0.80626384 
O       5.50845516      10.67359037       0.79900786      -1.12029229       0.49418056       0.32328493 
O       3.47397143       1.55406248       2.17297607       0.65225344      -0.00443182      -1.12136346 
O       3.51786511       1.49025221       9.65220255      -0.05340633       0.92232470       0.93582571 
O       5.89242900       0.32080757       8.76966871       1.51049416      -2.47046570       2.90197536 
O       0.25269390       9.04134719       9.89379451       0.00794589      -1.52647936      -0.99990532 
O       3.64127579       5.72689304       3.44236927      -0.69563514      -0.94692309       0.17397787 
O       5.68839398       3.40243696       3.79424093      -1.47504479       0.30296387      -2.33901110 
O       5.56761811       3.33315977       1.09716194      -0.16520152      -0.29109515      -0.29969413 
O       9.18345637       7.92312754       6.00618494      -0.33751403      -0.16037600       2.52708770 
O       3.68635217       5.16864123       8.83452910       0.24176654       1.93216809       0.29050538 
O       5.20797360       3.72201801       6.44764185       0.98357860      -0.12161944      -0.39475243 
O       0.01450049       5.60603488       9.34846432       0.06423120      -2.22417471      -1.31523573 
O       9.02432606       0.09891066       6.45873959      -1.85589794       0.55439778      -0.09563466 
O       1.21810539       3.79167614       6.17707641       2.32414081       0.11017426       1.26409469 
O       7.39256714       1.56501574       2.02167906       2.84713083      -0.90020634      -1.51772172 
O       9.08641984      10.73922283       1.19454325      -1.02084737      -1.07125682      -0.80904933 
O       7.36402555       9.03031921       4.21250664       0.06899652      -0.71640296      -0.50476623 
O       7.11104779       1.75883998       4.93318771       0.11907660      -1.60274343      -0.12205844 
O       4.20850933       8.77443657       6.48626530       0.66296047       0.76188778       1.78067176 
O       9.24345690       7.41417171       8.94525926       0.15109025      -1.02956069      -0.99495634 
O       8.09344196       1.69097566       9.87081185      -1.18419987      -1.22028294       0.98294399 
O       7.41655858       8.81090537       9.23104203      -2.03450065       3.26007291       1.60417813 
O       5.63656356       7.07901858       8.73540645      -2.17291005       2.55854632      -0.36846445 
O       9.08767431       7.36606238       3.63974353      -0.20869213      -0.65393680      -1.73682472 
O       5.40279440       6.32262784       6.03657825      -0.12805002       1.94971665      -1.54296459 
O       7.22577354       8.88382215       1.83449397       3.17355285       1.06561769      -4.02751047 
O       8.95792141       7.13956121       0.98727073       1.83885138       0.78290697      -1.04541554 
O       7.02382521       5.24176410       9.39086882       0.66800982       1.11885476      -4.14557525 
O       3.92149368       9.06218802       9.61582055      -0.38595389       0.24280434      -0.70994642 
O       9.70442918      10.85230957       8.90946334      -2.26554904      -0.41730421       1.16893089 
O       7.53120765       5.61732975       6.62035067       1.31910635      -1.27890812       1.14086375 
O       5.10466773       0.20227877       6.53513819       0.44771946       0.03001572      -0.86884904 
O      10.66905842       5.90774702       6.73576726       2.92904710      -0.15542534      -0.93868860 
O      10.65021946       9.24510501       4.37307438       1.28743806      -1.85378641      -0.60285439 
O       1.27519930       7.07355646       3.32339175       0.76193882       1.42681172       1.21397132 
O       3.71040925       8.80449633       3.96187047      -1.21205107       1.50233867       0.76729158 
O       3.91001869       5.34657182       0.95792906      -1.10116786      -0.09903124      -2.14407144 
O       5.39158532       7.32122561       0.90360435      -0.40636212       0.80076419      -1.17099707 
O       9.02735232      10.92208844       3.79836987       0.62717621       1.34935819       0.75761468 
O       9.31075304       3.62040680       8.91331571       0.72241330       0.80967561       0.39101721 
O       7.22141327       5.36861880       1.11634378      -1.78677163       1.04528943       0.92451172 
O       8.89296877       3.73662093       1.11121423       2.50113567      -0.44803975      -0.61792706 
O       8.74633531       3.34157934       3.92496987       1.53522053       0.95433466      -0.04350008 
O       7.43476406       5.28581938       3.81673264       0.50761870      -0.85317439      -1.29985081 
O       3.46519885       9.30963947       1.62645521      -0.55771753      -1.19212700       0.64012481 
O       9.45609500       3.32662681       6.30010708      -2.08387970      -0.01667124       1.47329809 
O       7.21456281       2.46450531       7.45359040       0.33654374      -0.54209302      -0.34137099 
O       1.77896505       3.76569684       8.78546914      -1.57155340      -2.54031827       1.41163828 
O       6.91627771       9.32881630       6.61438578       1.21428896       0.64036396       2.68503570 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01561212999569941 0.0007183981934683841 0.0030508289264384206 0.0007183981934683841 -0.00967114433505033 0.01148081742124994 0.0030508289264384206 0.01148081742124994 -0.016799022879612848" pbc="T T T" energy=-1065.00260943 free_energy=-1065.00261335 config_type=crystal 
Hf       1.54756480       1.54943499       2.52923422       0.80868989       0.04666859      -1.26787907 
Hf       3.59953146       7.38022093       0.21702526       1.38389608       1.38028848       0.63674960 
Hf       5.73631257       5.07240362       2.55462201      -2.42971366       0.65682193       1.62951201 
Hf       9.04414031       5.38974821       7.73716744      -0.33117320       0.80355161      -0.59450159 
Hf      10.67889679       7.16765941       5.27380167      -0.05302824       0.31394671       2.34582634 
Hf      10.81462060       0.05688224      10.26673743       1.63611003       0.17423741       0.72673681 
Hf       7.02044462       3.61120102       5.62973488      -2.21596973       0.50116717      -3.71958630 
Hf       7.12622371       7.18922728       5.00717575       0.05800880      -2.26417971       1.64634552 
Hf       1.80106922       5.36637052       2.31570069       0.93102644      -0.09462681       0.55968389 
Hf       0.07415612       3.44849161       4.86275411      -3.28886885       0.06317168       2.34461093 
Hf      10.81970013       3.36599413      10.45007450      -0.38313440       2.88115854       0.96550180 
Hf       1.77063290       5.44732221       7.94988030      -1.64544405       0.71469133      -1.66029466 
Hf       8.95941702       9.27666563       8.11595396      -0.15195258      -1.78478453      -2.47281891 
Hf       1.60679020       1.82477932       7.81405167      -2.56982607       2.00085451       0.25739407 
Hf       7.22099344       7.12692380      10.49129716      -0.80075597       0.07723241      -1.02562462 
Hf       9.16992067       9.05176492       2.38295452      -0.24281832      -3.54061106      -3.07083168 
Hf       5.50122212       9.18206583       2.62797146      -1.52545094      -3.20207904      -0.40280459 
Hf       5.61013703       9.22856288       7.70053044       0.64434650      -1.71170674       1.61457017 
Hf       0.02116239      10.76135669       4.92594628       0.27406540      -0.56132106       3.25238905 
Hf       3.47161523       3.49177898       5.48788758       0.84520656      -1.71959183      -4.02604187 
Hf      10.86245658       7.19232126      10.44818413      -1.33399853      -0.79815212       1.27524285 
Hf       1.79879333       9.17685461       7.71599862      -2.23649632      -0.57958203       0.05823870 
Hf       7.29495389       3.64752422      10.40605917      -3.59721393       0.23730026      -0.53560263 
Hf       9.04166524       5.40595400       2.60730932       0.01028872      -0.13051149      -0.77789108 
Hf       3.70624509       7.11440777       5.12039671      -0.57309057       1.32659538      -0.17067765 
Hf       3.53422318      10.93268289       0.04730320      -1.38516791      -2.74912841       0.77809623 
Hf       7.43116720      10.61603214       5.20201903      -2.09708708       1.16941492      -1.95740926 
Hf       5.24323417       1.47822461       2.80158140      -0.17092039       4.15989113      -1.11252551 
Hf       5.30187222       1.61956851       8.17304880      -0.48654947       1.38816139      -0.11891393 
Hf       1.88344081       8.79877434       2.67445006      -0.51266967       2.97232779       0.69012393 
Hf       3.70497726      10.69719978       5.42791834       1.27317990       1.46540592      -1.53444356 
Hf       3.57736462       3.92326340      10.25995740       0.13667134      -2.53815135       6.09517232 
Hf       7.00384508       0.07827591       0.08353607       0.08504365      -0.77134867       1.52265704 
Hf       8.97070509       1.57537945       2.63791500      -1.84085212       1.24189193      -0.32105048 
Hf       5.19582603       5.54269912       7.94661199       4.11579334       0.29410745       0.46116042 
Hf       8.91490783       1.84639890       7.50961500       1.37554853       2.07386577      -0.61390444 
O       0.12074662       8.69658586       1.76331847      -2.25747777       0.27817219      -1.36007985 
O       5.40451471       7.12128562       3.43005153       0.76879132       0.00214454       0.25640616 
O       0.34018873       5.88117302       3.91305572      -0.18445472      -1.98683630      -1.10159774 
O      10.91154209       1.52582755       3.89952607      -2.07173404       0.41408904       0.05455377 
O       1.85698141      10.88617084       3.59227016      -1.39824373      -1.62069537      -1.29476152 
O       1.65573251      10.69480359       0.58546690      -3.88796957       0.52148513       1.63166620 
O       1.75479853       3.94322951       0.62658742      -1.40561591       0.96668350       3.59140248 
O      10.70408782       1.82750725       9.22190014       0.89255849       0.44031079      -0.63903099 
O       1.71329402       0.20322460       8.81124426      -0.94730618      -3.94771280      -1.26852204 
O       1.78744445      10.63622613       5.86005064      -0.21849838       0.02082121       3.67846170 
O      10.85771646       1.92645396       6.57245490      -0.68685559      -1.09795652       0.15522297 
O       1.67009572       3.28590029       3.76500629       1.26292817       1.33731441      -2.82978950 
O       1.67979200       7.02268271       1.07689690       0.40357177      -0.57274820      -1.75553799 
O       1.13102458       7.10079385       8.70735599       0.56352849       0.92059821       1.02865032 
O      10.92518943       1.81202949       1.12274945       0.26282772      -0.96248682       1.65105354 
O       3.48812055       6.12040243       7.11645850      -1.09980941      -1.75169276      -0.00311206 
O       3.42643992       1.87537325       7.22870913       2.85023784      -0.48290765      -0.65158851 
O       5.09438990       3.74079736       9.15983539       1.41471857      -2.19481281      -3.98421679 
O      10.60656561       5.33476860       1.39582377       1.05521226       0.11184877      -0.12421215 
O       1.73049144       7.36283474       6.17803195      -1.26001669       0.87019871      -0.44943543 
O      10.69710468       9.39855081       6.74362230       0.07268440      -0.57611455       1.34867250 
O       3.74882591       1.56074794       4.57207360       0.24803801       1.24346690       0.95291842 
O       5.48704023      10.82309222       3.70258940       1.35037161      -0.52310037       1.65048182 
O       5.15275416      10.91299430       1.17316567       4.12466788      -0.24376500      -0.20145847 
O       3.34905648       1.41254536       1.96013513       1.47173186       0.50799120       0.19845578 
O       3.29371291       1.71615266      10.18280712       1.41358533       5.04053447      -2.56967601 
O       4.88376606      10.75190495       9.08277067       0.99829869       1.50341568      -1.69687274 
O      10.53085768       8.97434588       9.45368812       0.73903556       1.40136433       1.48144603 
O       3.77325999       5.31764722       4.53329603      -1.03151306      -2.92747463       0.44210851 
O       5.41132474       3.30508688       3.60681180      -0.18556371       0.39335413       1.17971674 
O       5.51198014       3.75388320       1.11461083       0.98049602      -1.95816973      -2.92191811 
O       8.86031298       7.07848710       6.36308763       1.21352063      -0.25602954      -1.68454549 
O       3.70834722       5.80375803       9.53564090      -1.60407014       0.00465684      -0.28417186 
O       5.07601658       3.87977816       6.45383516      -0.32707046       0.97353311       1.42530626 
O      10.49747058       5.08011807       9.27346163       1.52305438       1.30388966       0.71858151 
O       8.96002222       0.27639808       6.15774226       1.22152255      -0.50005082      -0.52892602 
O       1.57411656       3.33220462       6.17762444       2.76333696       2.74524048       2.02794837 
O       7.20175634       1.63158560       1.67712323      -0.21260655      -1.38159213      -0.32080059 
O       9.21658490      10.83649546       0.95443392      -0.55876951      -0.34362582      -0.34935727 
O       6.90133494       8.92086592       4.18788797       1.36831196       1.27031806      -0.83155477 
O       7.34908463       1.52901487       4.30034342       1.10367286       0.65813746      -0.30386465 
O       3.62165217       9.20132221       7.07291744       0.58314465       0.60936349      -0.74420691 
O       8.69599380       7.19053806       8.78267074       0.35010998       0.54329521       2.06526055 
O       6.81582292       1.77858269       9.59978341      -0.42178914      -0.93960745       0.35054328 
O       7.00743810       9.64162621       9.23731591       2.25081184      -0.26361698       0.84815305 
O       5.67240929       7.58120798       8.79273141      -0.54605747      -1.87692927      -0.06986957 
O       8.76919938       7.09373106       3.85002788       3.20816901       0.44087556      -3.14800161 
O       5.48856224       7.35563117       6.02957480      -1.27145381       0.08959054       2.48558058 
O       7.21983966       9.17048556       1.45887330       0.67941584       0.85805570      -0.09501705 
O       9.01303349       7.36524397       0.98758152       0.75939435       0.17898903      -1.12706568 
O       6.75273674       5.37320838       9.48966962       1.24799182       1.24410926       1.04988564 
O       3.12391266       9.03184658       9.89146028      -0.84650884      -2.09353829      -2.64441641 
O       9.03116315       0.23549330       8.64695733       0.16017326      -1.50378947       2.24562529 
O       7.18407248       5.13989411       7.00910751      -1.72357132       0.91693808      -0.32182613 
O       5.80907334      10.83934687       6.36911714      -2.81993180       1.39953669       1.03036671 
O      10.67614355       5.36836879       6.45823408       1.97225683      -0.66466216       0.73005002 
O       0.25775173       8.94028083       4.29125563      -0.90849897      -1.40784669      -1.39339046 
O       2.68673298       7.22946900       3.34477772      -1.48091901      -2.01030568       0.14372079 
O       3.94421588       9.26027546       4.19465981      -1.46115921      -2.48830422       1.03173457 
O       3.87391758       5.26848052       1.82812199      -4.41806733       0.86400251      -1.39896091 
O       5.50765165       7.27360722       0.86429267      -1.53573901       1.05594635      -0.51145891 
O       8.90293073      10.56128676       3.46019346       0.97540636       2.41015047       2.66713905 
O       8.63184741       3.52486731       8.68597288      -0.08760288      -0.20320919       0.66138718 
O       7.31422001       5.62003862       1.35446856       2.18625334      -1.27571246       1.24341220 
O       8.86252533       3.35742062       0.76628139       2.88803585      -0.00458362       0.98678737 
O       9.38360419       3.47042322       3.41999310       0.25915331       1.43741791      -0.71776786 
O       7.04220828       5.07215163       4.23358576       1.48750162       2.57099644      -1.30943925 
O       3.48842436       9.13251283       1.63712939       1.93657833      -0.78191201      -0.28501054 
O       8.85343612       3.46334345       6.01467974       3.46112848      -0.20414426       0.52786637 
O       6.86041964       2.29160385       6.99719633      -0.18951158      -4.16918196       3.13943574 
O       1.97600356       3.52644968       9.10574419      -1.53701919       1.37166865      -4.79581366 
O       7.41725221       8.98386763       6.76215088       0.47067979       0.79599649      -0.44343488 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.011248309416100052 0.00426446288836023 0.0029034126447789947 0.00426446288836023 -0.018910136577122125 0.0032364366716391424 0.0029034126447789947 0.0032364366716391424 -0.01240642393725285" pbc="T T T" energy=-1064.6119697 free_energy=-1064.6119738 config_type=crystal 
Hf       1.55518404       1.76174112       2.76017093       4.04669341       0.90565375      -2.38817509 
Hf       3.49391080       7.03121744      10.09226122      -0.63309899       0.24613298       5.28110772 
Hf       5.51900338       5.64475043       2.61740698      -1.47104112      -2.17229259       0.16190432 
Hf       9.00989536       5.20516120       8.14772213      -1.13244600      -1.48673957      -1.21686023 
Hf      10.78235529       7.24190132       5.11914929       0.65623542      -0.79642885       2.28819028 
Hf      10.68954044      10.91046040      10.61285742      -0.37212774       0.06807803      -1.17145811 
Hf       7.32898958       3.52284439       5.20604041      -0.63067547       1.19576368       2.09408325 
Hf       7.18037670       7.59362957       4.78109745      -0.40616501      -3.06668672       4.16381160 
Hf       1.90500846       5.43227130       2.28494770       1.43466401       1.03045894      -0.05391715 
Hf       0.04249942       3.62610469       4.90524981      -3.05275231       1.48883848       2.31789336 
Hf      10.82578794       3.62798726       0.04075754       1.30631434      -0.92253471      -1.53628039 
Hf       1.47606605       5.31435549       7.82842282       1.97551455      -0.35272229       1.43641198 
Hf       8.90600619       8.84345970       8.02938660      -1.01266153       2.47895350      -1.14898072 
Hf       1.73729500       1.65958245       8.18536888       4.06163101      -1.17811138       3.76477143 
Hf       7.12114418       7.02204705      10.49497862       2.00734189       3.16679618       1.39934272 
Hf       9.19906494       9.29824512       2.58660053      -2.00198296      -2.03465928      -3.15542099 
Hf       5.54055076       9.11373797       2.39547644      -2.93621477       2.86972868      -2.52732047 
Hf       5.33243026       8.52180589       8.17930440       2.39730563       3.83535907      -2.60872171 
Hf       0.16146109      10.73793725       5.32154490      -1.21026472       0.49760509       1.13707034 
Hf       3.42801703       3.55155788       5.40536870       0.47628622       3.92986417      -1.01625808 
Hf       0.09029672       7.41502222      10.50751468      -0.74992672      -1.47251301       1.68617850 
Hf       1.97166696       8.79330806       7.41493049      -2.30329962       3.02074020       2.08498312 
Hf       7.22818868       3.38544267       0.11765368      -3.22463421       0.48454328      -2.20147051 
Hf       9.20612466       5.51045332       2.47459255      -2.24212064       1.37052200      -0.07080970 
Hf       3.64905181       7.16366376       5.28414453       1.73378202       0.16009784       1.48581442 
Hf       3.34622425      10.72205993       0.23458936      -0.19345149       0.35067699      -2.32303491 
Hf       7.18728938      10.82328373       5.23435405      -0.85311759       2.18437573       4.60022395 
Hf       5.20730156       2.11836331       2.73077398       0.19732412      -1.77746507      -3.12238228 
Hf       5.26716920       1.69464833       7.79881968       2.43708042      -2.56094515       1.52319945 
Hf       1.53281364       9.21879319       2.81819655       3.08678360      -5.76268266      -3.36985410 
Hf       3.71183857      10.93207845       4.93197164       0.46412262      -0.89395864       1.18644911 
Hf       3.68866641       3.72919605      10.40794816      -1.29600911      -4.65228511       3.82851379 
Hf       6.90027812       0.04505534      10.36039029       1.16906719      -1.62922103       0.02846683 
Hf       9.15842761       1.74581384       2.50994375      -2.13131710       0.55921470      -1.74179063 
Hf       5.29182239       4.96977603       7.77635305       0.15693532       3.30426273      -3.11213443 
Hf       9.42208331       1.70422223       7.64167788      -4.57653295      -0.47133933       1.06553112 
O      10.93363015       8.98969261       1.61729844      -1.23830738      -0.00901241      -1.39121243 
O       5.53334029       7.48007851       3.46944750      -0.19723031      -1.77424201       1.56567837 
O      10.35780974       5.46412039       4.18314722      -0.37296181      -0.25311933       0.06322696 
O       0.29106005       1.76567740       4.31822470      -1.57700263      -0.37602133       0.92717836 
O       1.61936265      10.78548629       3.76223882       0.53967659       4.09911813       1.21354357 
O       1.53458665      10.83754307       1.00293682      -1.20108647       0.28645864       2.17051121 
O       1.83176224       3.68027707       1.18215270      -1.42296995       1.57572774      -0.78274894 
O       0.27108661       1.60504633       9.72265167      -0.68860744       1.70664139      -0.69725149 
O       1.75537065      10.50232825       9.03053094       0.70771445       0.86425240      -0.54200670 
O       2.15451208      10.56714932       6.25314168      -0.99228241       0.54047170       0.00622295 
O       0.31105333       1.25476187       7.06407124      -2.00298285      -0.16020665      -2.95539095 
O       1.58576969       3.79046321       3.68384080       0.90229948       0.17558174      -0.92866566 
O       1.98540315       7.16055959       0.77688318      -2.65312495      -0.11150509       0.74074318 
O       1.48555033       7.37554808       8.91426743       0.90505116      -0.65944838      -0.56601125 
O       0.02449071       1.98132062       1.56454915      -2.00327466      -0.00847090       0.69134796 
O       3.29604938       5.45877091       6.98342360       2.19665160      -1.08550904      -1.13171160 
O       3.47150370       2.40057354       6.97019836      -0.14387181      -1.93940935       2.03655439 
O       5.25760768       3.59944524       9.12467699       1.44374808      -1.44377599      -0.61968597 
O      10.93686228       5.66033950       1.46600408       0.11523012      -1.72874242      -0.02851981 
O       1.78266730       7.06124170       6.28163452      -1.30368370       1.63895306      -1.03103698 
O      10.94745509       9.22814677       6.62547193       0.25328269      -1.68026554       1.55227369 
O       3.36960720       1.87572549       4.40583519      -0.55065616       0.73121048      -2.07423104 
O       4.86665312       0.05751330       3.26018704       0.95735794       0.22412524      -0.11985189 
O       5.23707504      10.65218738       0.65634341      -0.03389643      -0.58326313       2.05793988 
O       3.29590148       1.81355512       1.51585930       1.10524552      -1.33915409       1.69355678 
O       3.77048812       1.64750762       9.49125855      -0.69012058      -0.85096065      -0.35590992 
O       5.57603757      10.50169631       8.81492572      -0.44710976       2.80375150      -1.54101665 
O      10.37844559       9.14979767       9.80149664      -0.23541095      -2.45628700      -1.47186081 
O       3.60056078       5.52452695       4.26497447      -0.35998696      -1.11486856      -1.98844199 
O       5.39073940       3.76264603       3.72554656      -0.26076386      -0.14872771      -1.16999338 
O       5.28063599       3.56191962       1.11062368      -0.16364934       1.24631005      -0.36138119 
O       8.88056164       7.69469374       5.97363437       0.29383422      -0.10745163       0.17046420 
O       3.45934221       5.25513875       9.36207358      -1.79443263       0.75496776      -2.04831384 
O       5.38876743       3.83661284       6.01243862      -2.31639717      -1.83028380       1.47536486 
O      10.63772261       5.40194257       9.45223227       1.46736829       0.47661626       1.71999450 
O       9.05044133       0.18440405       5.98533828       1.30603380      -0.37390254      -0.44313715 
O       1.39765046       3.82220526       6.32335217       0.63006288      -0.70782124       0.18650680 
O       6.81887471       1.85088801       1.23702407      -0.15946216      -2.11541689       4.70931068 
O       8.76081640       0.50621311       0.84390115       3.13613726      -1.26660113       0.12568638 
O       6.96801469       9.44220674       3.87030865       1.35397923      -0.28889262       1.69032181 
O       6.93952405       1.59595186       4.31820386       0.08369826       0.94429695      -1.68029104 
O       3.80768067       8.62834828       6.85915400       0.51010911      -0.48960565       1.34104534 
O       8.51539137       7.11045945       8.81370200       1.87316169      -0.76477296      -1.87315808 
O       7.08576430       1.78959139       9.53596508      -0.62831596       0.66734256      -1.74003881 
O       7.30577798       8.97459842       9.35591960      -0.47212593      -0.47777925       1.63220823 
O       5.24881965       6.70630017       9.01360926       2.50762061       0.44431191       0.13215386 
O       8.73787432       7.50574985       3.22265338      -0.30708692      -2.39880795       1.89294732 
O       5.63086447       6.78932594       6.24496829      -1.36740496       0.88080957      -0.53759346 
O       7.33940030       9.42114054       1.60753060       0.75982486      -0.39027195      -1.79091608 
O       9.09317970       7.20603707       0.74764577      -0.91132292      -0.77267070       0.02460987 
O       7.54169298       5.33645319       9.84203660      -0.30092507      -3.77463908      -0.88421395 
O       3.86878907       8.86885943       9.64723201      -0.55066788       1.03830808      -0.56720485 
O       9.26354933      10.91972446       8.72909017      -0.66220245       0.41689911      -0.33910171 
O       7.15600814       4.60869454       7.16500794       2.19442415       1.27074628       1.43971369 
O       5.27629675       0.16545598       6.11926411      -0.24319892       1.40330715       0.30479942 
O      10.80188184       5.70732683       6.98985053      -3.78898944       1.11245305      -1.51477251 
O      10.79097065       8.96694028       4.12348771      -0.59430826       1.87066735       0.59030452 
O       1.28289534       7.11756474       3.68136403       1.71347638       0.00926741      -1.60100362 
O       3.61435580       9.06007559       4.47976658      -0.80498147      -2.66573012      -1.04575827 
O       3.72206829       5.55958681       1.29549845      -0.52324381      -1.07699496       1.15280396 
O       5.31605312       7.29412244       0.99821424       1.86434641       0.49380953      -0.63815696 
O       9.57252486       0.02765634       3.39019555       0.03892051       1.58465114       1.46167560 
O       9.29718414       3.35283061       9.10317410       0.40390391      -0.37283864      -0.57250360 
O       7.26474414       5.24747371       1.79395762       0.18460366       1.00615581      -0.52785400 
O       8.88897377       3.39947501       1.05347782       4.38523865       1.16105635       1.25575692 
O       8.87147309       3.37709913       3.69990526       1.00621723       0.42364195      -0.55921140 
O       7.04341092       5.46971803       4.46187723       1.28959130       1.08086777      -1.03678519 
O       3.36095043       9.12655036       1.92625594       0.25350504       1.15477247      -1.15781392 
O       9.17300632       3.50974123       6.36412842       1.99417199      -0.59947230      -0.75761286 
O       7.31052696       1.70047320       7.00389069      -1.11125656       0.43288780      -0.51017631 
O       1.72887378       3.45458117       9.25017051      -1.00323806       1.17518522      -1.65062389 
O       6.74230881       9.07281238       6.76314076       2.48622087       0.47992886      -1.55272200 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0018582573365184885 0.009757503871323498 0.0009324551304799567 0.009757503871323498 -0.015114883737292393 0.006185324402656519 0.0009324551304799567 0.006185324402656519 -0.014344847104637019" pbc="T T T" energy=-1062.90019423 free_energy=-1062.90034172 config_type=crystal 
Hf       1.68988905       1.71098011       2.80003818      -0.48271259       4.29123983      -3.34305774 
Hf       3.55136527       7.00130635      10.16693941      -1.11301844      -0.09683621       4.92950589 
Hf       5.54265267       5.61345911       2.65793047      -0.31299869      -4.98528023      -2.74615612 
Hf       9.04250491       5.20251017       8.07256458      -0.40501261      -4.93256831      -0.86443713 
Hf      10.78348693       7.32995129       5.18377669       0.39262169      -4.64143459       1.27836591 
Hf      10.72509036      10.92400695      10.47515522       0.69297255      -0.45261219      -0.20728994 
Hf       7.26024911       3.50043017       5.22342828       2.00301395       1.00124897      -0.04071391 
Hf       7.20663483       7.55242153       4.83885108       0.78774015      -3.36966458       3.29625032 
Hf       1.88061186       5.42880723       2.30908945       0.36043667      -0.99342856       0.64969266 
Hf      10.93404976       3.61024982       4.94291834      -2.14448522       2.17831457       2.49859419 
Hf      10.87683917       3.69655506       0.04949298      -1.21548630      -1.56320405      -0.41843451 
Hf       1.44306297       5.35031220       7.89624456      -0.53617318      -0.57641365      -0.73551528 
Hf       8.95692672       8.88846048       7.98654950      -1.35143204      -0.68519081      -2.11651269 
Hf       1.72593911       1.61033019       8.20987191       1.56618352      -1.22271418      -1.56575779 
Hf       7.12986592       6.92555898      10.42181730       3.92372974      -0.12895837       1.40906128 
Hf       9.16085359       9.26166293       2.53918360      -3.22335134       0.57057524       0.48937182 
Hf       5.43997863       9.06405624       2.41996002       0.89618011       1.45770920      -0.67240007 
Hf       5.31181227       8.50838775       8.20290705       4.51376444       5.07300034      -1.77261931 
Hf       0.13179334      10.72542046       5.35856316      -2.41122340       4.53563591       0.53397427 
Hf       3.44743775       3.66384833       5.35546587      -0.14777353       1.01590192       0.55088388 
Hf       0.06864810       7.46957445      10.50774139      -0.47365030      -6.12264873       1.79120305 
Hf       1.88878350       8.93592560       7.37853318      -0.20482691       1.90895289       3.40962960 
Hf       7.22490747       3.37918198       0.12246149       0.17018191       0.56151717       1.94551164 
Hf       9.18929405       5.59043321       2.47079406      -2.02186083      -2.46959152       0.19122838 
Hf       3.62721924       7.20363683       5.29609249       0.94458401      -4.42953183       1.05025052 
Hf       3.38312855      10.65658709       0.20963789      -0.32007538       1.99047303      -0.65581249 
Hf       7.15047438      10.83693655       5.25974439       1.21848513       5.07699551       4.00877451 
Hf       5.13373838       2.09497170       2.78771598       2.13254608       1.12450027      -1.85379584 
Hf       5.25742132       1.62243033       7.83586036       2.85347942      -1.04626555       1.32585224 
Hf       1.54035641       9.24559683       2.76285677       2.22514667      -0.87618449      -0.50531166 
Hf       3.78728421      10.93416447       4.87292914      -1.58906620      -0.27574084       1.64646468 
Hf       3.67539990       3.62305301      10.46027164      -1.26102788      -0.73499339       2.10216444 
Hf       6.86580189       0.04774373      10.41504014       1.08803235      -2.96328851       0.90904380 
Hf       9.23107290       1.75265575       2.41473002      -3.48489832       2.08782556       1.62065231 
Hf       5.30499852       5.08302601       7.70342961       3.11528257      -0.90273866       0.51641900 
Hf       9.35712332       1.59839889       7.67384485      -2.07340661       1.73116455       0.17400376 
O      10.88024255       8.96575747       1.64589937       0.63598462      -0.42496435      -1.35693232 
O       5.48893025       7.28756275       3.52624547       0.53705497       2.33491354       0.55776214 
O      10.32456748       5.45522719       4.18455397       0.57721566       1.11481894      -0.31107514 
O       0.07364240       1.75901209       4.36248545       1.30301117      -0.22386701      -1.56108139 
O       1.95981520       0.15489385       3.81997247      -1.55160566      -5.41122224       0.40212540 
O       1.47697737       0.11070129       1.14900000       0.19584489      -2.33695177       0.43570067 
O       1.69840427       3.55125582       0.89073571       2.13144139       1.26156202       0.95866881 
O       0.17642633       1.47702470       9.42976522      -1.64561419       2.00580353       1.00335632 
O       1.62312143      10.56207253       9.03369764       0.79164327      -1.34280079       0.16380255 
O       1.80860530      10.75649573       6.33111868       4.06901535      -0.83360458       0.02159727 
O       0.17284251       1.43932237       6.89243542       1.62799220       0.37237418       0.38517226 
O       1.64866732       3.78685989       3.68354085      -0.06989638      -1.12707160      -0.90693788 
O       1.86704001       7.10960970       0.73578689       1.07491996       0.72339368       0.51170070 
O       1.63550533       7.62220062       8.86195798       0.07637697      -2.40633451       1.20982856 
O      10.91843253       1.99341221       1.56562258       1.68375971      -0.39203677       0.27793578 
O       3.59185985       5.59640149       7.02698995      -2.92211132       0.21534845      -2.29584036 
O       3.68698411       2.15617038       6.89438117      -3.51398687       1.17645168      -0.72790317 
O       5.21449746       3.66315887       9.18333908       0.22175851      -1.21745173      -1.84111037 
O      10.94097527       5.52830261       1.45676174       0.60153591      -0.84437414      -0.37734212 
O       1.64450984       7.06198320       6.26730599       0.95700134       1.25892873      -0.77159018 
O       0.04740639       9.05631791       6.86752339      -2.97311562      -0.02795202      -1.05962510 
O       3.47582705       2.01261972       4.19970274      -0.29215934       0.73468285       0.89607362 
O       4.70193777       0.17929198       3.23092264       2.25240110      -2.50652594       1.40355635 
O       5.27789370      10.62396034       0.97609965      -0.18029343      -0.19276017      -2.38045469 
O       3.45363435       1.50415921       1.62935183       0.03648279       1.19625160      -1.12112069 
O       3.58787504       1.23996546       9.27307537       0.01171317       1.19030151       2.06198634 
O       5.55677463      10.71567762       8.75594944       0.77197392      -0.78810513       0.55732998 
O      10.45258922       9.01034675       9.78444304      -1.68712956       3.08874402      -2.19414168 
O       3.34390968       5.39686644       4.11998641       1.58483715       1.54990208       1.15398262 
O       5.55418583       3.92212968       3.71832458      -0.43173799      -1.45469966      -0.05331103 
O       5.27987257       3.79208886       1.09799005      -0.05140147      -1.97118003      -1.01076750 
O       9.01760104       7.66368771       5.94185313      -1.91464640       1.37835003      -0.04151373 
O       3.28738823       5.29413334       9.36936295      -0.74570156      -0.34572578      -0.37714153 
O       5.42512470       3.76443898       6.06085424      -2.31780670       0.11336614       1.12262499 
O      10.74725796       5.26476589       9.42678463       1.51949563       2.31548027      -0.49905620 
O       9.31045690       0.40334580       5.91702549      -3.98073033      -1.90826079       0.17609850 
O       1.43435196       3.88560139       6.58650931       1.55729885      -0.61837822      -3.02016809 
O       6.76558845       1.83600265       1.73978512       2.25734888      -0.31283676      -2.52026453 
O       8.97263203       0.55160294       0.71214895      -0.24368809      -1.55342990      -0.08987667 
O       7.01546293       9.44557199       3.99358017      -0.54224623      -1.17564556      -0.87583437 
O       6.91465623       1.53456321       4.07077084       0.00705340      -0.11607992       2.55779680 
O       3.84332897       8.74414257       6.97794934      -0.64622256      -0.60965157      -1.29287170 
O       8.75659637       7.01295664       8.51918272       0.02811972       1.29570404       1.28755731 
O       7.07181961       1.74500331       9.62887541      -1.04445036       0.58786590      -0.69659198 
O       7.42514458       8.77705768       9.45736012      -1.71213509       0.72648578       0.89337088 
O       5.64135725       6.73753419       9.06449304      -2.35694807      -0.39639352      -1.60300839 
O       8.58408560       7.42147443       3.27275881       1.20509690       1.31555937      -0.37297829 
O       5.59363434       6.92039706       5.98343133      -1.09304863       0.36188141       1.66419055 
O       7.35983751       9.38760149       1.58922576       0.62690945      -0.02388557      -0.52525006 
O       9.05229782       6.99127844       0.65496291       0.34804908       0.58101046       0.33189697 
O       7.53462789       5.02888880       9.77407318      -0.05513007       1.86294217       0.45431659 
O       3.93142223       8.86583568       9.68801686       0.02414250       0.84430015      -0.06898761 
O       9.10970003      10.71372406       8.59359019       0.05203289       2.42034066       1.17082271 
O       7.22123173       4.72862833       7.40467255       0.50223357       0.34886528      -2.09829436 
O       5.22552413       0.40782921       6.10732870       1.11809156      -1.35826531      -0.78035837 
O      10.45504008       5.56090394       6.72024679       3.12076221       2.83406950       1.16056610 
O      10.78442794       9.11645605       4.23990523       1.56460394      -1.34804086      -1.90138538 
O       1.37469117       6.92262869       3.50593058       0.01714350       4.15211893       0.24686150 
O       3.80512978       8.83225741       4.36902175      -1.03111873       3.26389980      -0.37072038 
O       3.69519553       5.35833944       1.42748214      -0.66442745       1.41449288      -0.51421685 
O       5.44068693       7.34101335       0.89333450      -0.52107758       0.33222913       0.73549982 
O       9.60116559       0.11240911       3.53569029      -1.48325161      -2.37712685      -2.29932918 
O       9.19852043       3.10751152       9.06408999       0.71389810       1.23278752       0.40521235 
O       7.26661247       5.10900258       1.71540783      -0.78380602       2.48529878       0.48381452 
O       9.11215790       3.61853990       1.20630806       0.06275445      -0.20661261      -2.36424993 
O       8.74111543       3.54209682       3.53619241       0.96878514      -1.38606007       1.08039520 
O       7.43742637       5.51519978       4.60152868      -0.57885915       0.70410297      -0.40334703 
O       3.50056810       9.37827465       2.04071135      -3.54585447      -1.02572970      -2.07757704 
O       9.49506845       3.57097311       6.32134042      -2.57742509      -2.49889082       0.05243590 
O       7.16633801       1.85717610       6.97457931       0.99082395      -0.13424331      -0.93079127 
O       1.65587220       3.41579890       9.02631952       0.34960958       1.27093544       0.16887896 
O       6.92662270       9.24986704       6.90080735       0.96919709      -0.28698261      -1.16533551 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006463111086235618 0.0038067362491874404 0.014062213146482084 0.0038067362491874404 -0.019236903272630754 -0.0005643320581900231 0.014062213146482084 -0.0005643320581900231 -0.030184456202994925" pbc="T T T" energy=-1061.56836331 free_energy=-1061.56837048 config_type=crystal 
Hf       2.10616095       2.04664467       2.50874087      -2.04626385       0.32379558       1.47845932 
Hf       3.69493445       7.20050725       0.17799100      -1.28730755      -1.90106683       0.66780708 
Hf       5.66354052       5.37358297       2.38099124      -3.24538233       0.60816379       0.75525966 
Hf       9.11909557       5.38424655       7.85400938      -3.02217101      -1.84953287       1.44096365 
Hf      10.85113300       7.39714598       5.01316700       0.39381759       0.39821573       2.49753474 
Hf      10.84565314      10.78220552       0.24651255      -1.11691420      -1.53366491      -4.70846232 
Hf       6.90056615       3.65044772       4.86711689       4.53621868      -3.71961178      -0.32281778 
Hf       7.28945408       7.30921772       5.00842360      -0.77724603      -0.50356374       2.96318957 
Hf       1.42140405       5.55662069       2.53482688       2.05540141      -2.12532461      -0.59674272 
Hf      10.76612397       3.76259432       5.35606077      -0.49584589       0.70010599      -4.00749783 
Hf       0.00603358       3.10854950      10.41806824       2.29070894       3.15698183      -0.23764813 
Hf       2.01459596       5.29162716       7.87588099      -0.77541087       2.70480984       0.44524442 
Hf       9.31710423       9.03839553       7.91332908      -1.39677301      -0.37361550       1.18035650 
Hf       1.44193746       2.02018035       7.48368917       1.66958941      -0.44489196       3.12428230 
Hf       7.17033169       7.16477020      10.32144330       1.38947605      -0.13649808       0.49094972 
Hf       9.02419469       9.15924087       2.94408281       0.05734388       2.70815642      -2.27260860 
Hf       5.37345829       9.09509097       2.69701405       0.07966664      -2.80522509      -1.95444572 
Hf       5.20596208       8.99734209       7.60785088       1.23558564      -0.03674406       2.17864917 
Hf      10.75828397       0.15454797       5.11796139       0.08356574       3.01053326      -0.14892568 
Hf       3.60070452       3.46622280       5.25529211      -0.20390587       5.69853369       1.07275405 
Hf      10.66173291       6.85610780      10.55686236       0.92238624       0.71649381      -3.14875418 
Hf       1.65634287       8.55791741       8.01485559       1.69023178       1.52393996       3.10701248 
Hf       7.40545051       3.49868630      10.35682713      -3.09140428      -0.36831153       2.12198149 
Hf       9.12873345       5.41412882       2.53210320      -3.64395731       1.43766191       1.89655217 
Hf       3.50784300       7.37338263       5.42033285      -1.58169151       1.06356428      -1.28932551 
Hf       3.57092918      10.48304230      10.25522303      -1.96374556       1.17000558      -1.30613114 
Hf       6.94529216      10.86897079       5.49165716       1.28784117      -0.01383820       1.12253837 
Hf       5.51044455       1.24521108       2.59032865       3.33162296       5.14677518      -1.28196028 
Hf       5.33147457       1.66455122       8.07352267       0.66963062       2.88485290      -0.30083980 
Hf       1.58506204       9.03266960       2.44378269       1.53770042       0.77670025       0.46942413 
Hf       3.37389275       0.20254774       5.23652481       0.89963877      -4.84034140      -0.13999484 
Hf       3.54483615       3.56948200      10.61901862       1.37172039       1.14100646      -1.18825449 
Hf       7.17480579      10.72210178      10.58343486       2.06462451       1.61743913      -0.00416436 
Hf       9.29222020       1.72446421       2.50615026      -0.48502739       1.40731014      -0.04880061 
Hf       5.59403609       5.43610557       7.91987910      -1.16945445      -2.01313286      -0.36087303 
Hf       9.00484267       1.59278186       7.81858111      -0.42783307      -1.98313478      -0.35076255 
O      10.61079846       9.35452270       1.59827221       1.30735384      -0.78572835       0.99621554 
O       5.83154004       7.27234684       3.33824865       0.00083885      -0.11327017       2.46769065 
O      10.76523117       5.53689442       4.08967920       0.00845730      -1.09661453       0.77076725 
O      10.72467206       2.00121430       4.27359523      -0.05176261      -0.73349724      -2.50203390 
O       1.69756197       0.00431655       3.48939856       0.36521205       1.09470189      -1.53361252 
O       1.84275056      10.37200631       0.67014431       0.05054829       0.70888891       1.11965820 
O       1.77761834       3.86696939       1.17337379       0.88083325      -1.75868402      -1.77646628 
O      10.83602764       1.69932545       9.08699995       0.68635697      -0.89699494      -1.00764894 
O       1.88675741      10.46772209       8.66804654       1.60583142       2.24672476       1.00903501 
O       1.70262890       0.77751237       5.96489393      -1.32916922      -1.47714447       0.31239091 
O      10.68900064       2.05905037       6.48483379      -2.27080203      -0.59004116       3.89485124 
O       1.57969645       3.68453370       3.63238167       1.47143773      -0.64991049      -0.36275523 
O       1.55555479       7.20845670       1.03208398      -0.87002851       0.70021446       0.40986967 
O       1.45635424       6.91067920       9.17645298      -0.94809204      -0.12011947      -1.32046004 
O       0.20925259       1.71373160       1.30748562       1.40383953      -1.54232623       1.57676502 
O       3.74608122       5.89693388       6.85742382       1.55589953      -1.04149402       4.55093837 
O       3.57677607       2.24261892       6.92869913      -0.35547567       0.77573037       0.20629889 
O       5.36132013       3.71585635       9.00831081      -0.98805816      -1.78583939      -1.45936189 
O      10.54431964       5.44755711       1.36993068       5.50728220      -1.80989529       0.77597528 
O       1.76178944       7.23812062       6.48617495      -1.21063773      -1.21553549      -1.94186392 
O       0.13238957       8.96706047       7.01057208      -2.44331366       2.07074203      -2.82165339 
O       3.50464878       1.87398502       4.23062569      -0.30016867      -0.76946641      -2.58164175 
O       5.09127917      10.77667351       3.78249121       0.97309418      -0.72671059       0.65309169 
O       5.43077000      10.69993703       0.99689657      -1.20069928       0.21555445       1.29122941 
O       3.93666423       2.08927370       1.61445401      -1.52409256      -0.25920490       1.59780343 
O       3.51927931       1.67834876       9.97190831       0.45574827      -1.75841314      -1.86893105 
O       5.43863126      10.83174702       8.66311788      -2.03961623      -3.51760051       1.95829534 
O      10.84160128       8.95821679       9.54028652      -0.72152382      -0.05968238       0.95424754 
O       3.19409252       5.62878710       4.78300408       0.43261037      -3.72803470      -3.68626497 
O       5.36350005       3.43896843       3.58742972       0.00475441       0.73296389      -0.74403346 
O       5.30744455       4.16639622       0.80271654      -1.72377262      -0.81631157      -0.56692305 
O       9.16935172       7.72132120       6.21360583      -0.91655590      -1.53769639      -1.84810952 
O       3.25765682       5.54315172       9.54883213       2.24171953      -1.14054210       1.46838439 
O       5.56119395       4.15502947       6.01982726      -2.58203127      -0.07539379       2.42168124 
O      10.50222636       4.86948240       9.66860406      -0.83796544       1.94109765      -0.72196820 
O       8.99877097      10.92370489       6.00717822       0.93974502       0.72937901       2.53220084 
O       1.63907391       3.76687822       6.23562370       1.56735920      -0.29169834       1.08959089 
O       7.45417732       1.82542890       1.80175463      -4.22288406      -0.07774241      -0.09976211 
O       8.95283213       0.25613057       0.74835664       1.10010504      -0.23150106       2.18506431 
O       7.44675058       9.12963513       4.29392064      -1.00600951       0.96792709       1.31422694 
O       7.13774427       1.37053764       4.23474113      -1.16343283       2.56294345      -0.89779809 
O       3.32520637       9.15592285       6.78057126       1.44489448       0.64992625       0.33663547 
O       9.08646652       7.08407510       8.92998826       0.26857991       1.81497824       0.32425927 
O       6.70332594       1.56013561       9.73935089       0.64729014       1.18627450       0.04639828 
O       7.19751922       9.09175016       9.61052337       0.14256360      -2.68162142       0.47238902 
O       5.70520016       7.11768822       8.89392268      -1.52006879       2.25158332       0.07559769 
O       9.41361279       7.35364595       3.44819917      -1.12457167      -2.04620017       1.69167999 
O       5.42113222       7.89311369       5.85832960       1.75739244      -0.23475938       0.72290277 
O       7.40197494       9.05995552       1.92586064      -2.55670432       1.41227396      -2.34522730 
O       8.94054311       6.95534100       0.94174587      -2.18865344       1.51383196      -1.02415556 
O       7.24231819       5.21459683       9.28390334       0.95177211       1.02562438       3.18066817 
O       3.76708847       8.64186634       9.20641432       0.04861245       1.08395999       1.90355494 
O       9.07479520      10.82265693       9.09616512      -0.26411479       1.07076808      -2.87272563 
O       7.28040859       6.05887890       7.23373527       0.55738513       0.93082155      -4.79378589 
O       5.10218784       0.51025357       6.33793803      -0.34665943      -2.52490264      -1.54877273 
O      10.87547647       5.48058047       7.24320550       3.11369683      -0.25368491      -2.43722595 
O      10.73195046       9.41310563       4.27053886       1.94056352      -5.34141161      -0.52125245 
O       1.44976935       7.11828006       3.61685568       0.53026367       5.48579254       0.74025771 
O       3.39856917       9.22850722       4.29825270      -0.44148301      -1.55652375      -1.16727276 
O       3.57829687       6.04044850       1.88149626      -0.10164553      -1.53129954       0.21426090 
O       5.58437564       7.32788762       1.09860217       0.22785702      -0.37052751      -3.20436288 
O       9.20053754       0.07892001       3.62977990       0.50068906       0.81012758      -1.57472038 
O       8.49075516       3.22913123       8.75825529       1.64156312       0.10517733      -2.86318448 
O       7.26402181       5.02995219       1.45109701       4.08648000       0.30253823      -0.23597844 
O       9.21197429       3.01206274       0.49795877      -1.38535412       0.40040320       1.75654637 
O       9.12163900       3.67303220       3.38932620      -0.56833615      -1.96394536      -0.67202392 
O       7.28643834       5.41965371       4.18609039      -0.01187813       1.58544230      -1.23779675 
O       3.52859519       8.95285799       1.52598023       1.05678618      -0.23035102      -0.05616474 
O       8.97631478       4.20160628       5.91370615      -2.00784670      -0.24675364       1.77120362 
O       7.13401890       1.64256526       6.76741999       0.69250054       1.05248227       2.15712221 
O       1.77336708       3.55209549       8.89771691       0.33890323      -0.86983703       0.23766202 
O       7.33870996       9.49401777       7.09797350      -2.19112322      -0.55109494      -0.35655241 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.004561829760286064 -0.0035837067371093175 0.0020988490072467295 -0.0035837067371093175 -0.024448600760658412 0.00045862535407182497 0.0020988490072467295 0.00045862535407182497 -0.003007828523670341" pbc="T T T" energy=-1061.00784893 free_energy=-1061.00785344 config_type=crystal 
Hf       1.58987304       1.54566919       1.97082015       0.91146625       2.94282878       6.38812441 
Hf       3.21712006       7.34169087      10.38739677       0.87723214      -0.92804141       0.06424225 
Hf       5.22136972       5.31337909       2.59027582       0.03774890       0.73009692       0.36192287 
Hf       9.12047624       5.51670459       7.88235320      -1.36877700      -0.19627027      -3.03800679 
Hf      10.68184549       7.05426174       5.28389794       2.61455784      -2.36599159       0.10001275 
Hf      10.50165260      10.53912716       0.09603663       5.65110067       2.71615127       2.99775707 
Hf       7.34327938       3.74305572       5.38783298       0.10331265       1.46768561       0.20876523 
Hf       7.41654642       7.57919854       5.40976741      -1.63131777      -1.81721319      -1.35214664 
Hf       1.76476717       5.39669476       2.85186221      -0.27948860      -3.87561209      -3.49450106 
Hf      10.86365111       3.49713778       5.02644326       1.55370113      -1.84037436       0.11040293 
Hf      10.83974172       3.58259261      10.51154562       1.50475602      -1.71519581       2.38728323 
Hf       1.60767884       5.48526953       7.88447921       2.15288684      -3.00153993      -1.02003608 
Hf       9.10667946       9.28697490       8.09493554      -1.73519818       1.13552443      -1.98558851 
Hf       1.91874882       1.86678911       7.99411586       1.66561082       1.95211136      -2.48403741 
Hf       6.96365978       7.26399607       0.01538303       1.55660660      -2.87379334       1.87237302 
Hf       9.00719328       9.19022455       2.87824838      -0.86628309      -2.10786760      -2.48545711 
Hf       5.26162152       8.93627871       2.40578572      -0.43292826      -1.57552450      -0.60314350 
Hf       5.44288350       8.96851729       8.12197401       1.09196790      -1.54265629      -5.03161357 
Hf       0.06711744      10.81720117       5.14830591       1.26818183       0.95800694      -0.15726023 
Hf       3.43194016       3.29619510       5.21753897      -0.18124228       1.14733834       2.45988227 
Hf      10.82137957       7.17382873      10.41831217       0.74241636       0.52817408       1.51819083 
Hf       1.80496265       9.27138692       7.77444430       1.32865941      -1.93655816       1.02137772 
Hf       7.39976775       3.65991710      10.24863433      -1.77718475      -1.08282015       0.60968444 
Hf       8.84056468       5.35647857       2.71393669       0.76223150       0.27790398      -0.96074009 
Hf       3.83261094       7.12415686       5.31776034      -0.62720266       0.03032120       0.77037179 
Hf       3.57892103      10.73058359      10.44169682      -1.47224566       3.20820340      -0.74190755 
Hf       7.50630071       0.17908809       5.19383683      -2.35883674       0.90876711       1.61666293 
Hf       5.24453224       1.71955548       2.32928476       0.86712593      -0.85293712      -2.09164470 
Hf       5.51286703       2.03516059       7.88805098      -0.76448260      -3.12317244      -1.06974070 
Hf       1.78717833       8.88701232       2.68619776      -1.96660448       1.12675829      -0.04005277 
Hf       3.70018708      10.57631566       5.09603600       1.79785625       2.06550727       1.76983106 
Hf       3.53312035       3.64779374      10.62560542      -1.18703243      -0.75363115      -1.21367611 
Hf       7.13277518      10.68675575      10.31611647       1.92630660       5.64264193      -0.08000298 
Hf       8.57974056       1.47232688       2.44430032       1.84241252       3.69673207      -1.52894336 
Hf       5.35125080       5.37554990       7.78767273      -0.18250447       0.91862439      -0.54601208 
Hf       9.55171919       1.90383694       7.84155208      -1.59050141       0.21236250      -1.76230869 
O      10.60448868       9.22424621       1.53935662       0.94056583      -1.99347016       2.47226544 
O       4.98787173       7.23924000       3.53536250       1.14140526      -0.31704282      -1.77528573 
O      10.19422472       5.27760424       4.45830216      -0.01133269      -0.49685814      -1.06683919 
O      10.91775994       1.91911935       3.52326648      -1.68000865       0.59444466       2.20319759 
O       1.29134461      10.76982425       3.50676719       0.82621754      -1.37855854       0.13159246 
O       1.62609445      10.95043019       0.99232131       1.15173204      -4.70466214      -3.26148675 
O       1.82609152       3.50119073       1.33463984      -0.43547274      -0.03395551      -1.54770881 
O       0.18421802       1.63719704       9.01476187      -3.90006442      -0.49186155       0.80599415 
O       2.18351031       0.23647704       8.92026942       0.85579360      -5.86973452       0.87026850 
O       1.98371900      10.48434069       6.20416728      -1.73316167       0.51681408      -0.90485891 
O       0.38700229       1.63203819       6.37837510      -2.53837812      -1.01457458      -0.03200907 
O       1.71860834       3.67692695       4.03309316      -0.14438473       2.39862563       0.55245892 
O       1.64927198       7.05723476       0.93173665      -1.82788978      -0.16884684       0.24500551 
O       1.84225513       7.20792895       8.78572669       0.08520410       2.31615890      -0.39215099 
O      10.91934396       1.75700375       1.06489549      -4.35908241      -0.30558293      -2.89837436 
O       3.47498727       5.25448204       6.78500461       2.08807513       1.82336239       1.07894521 
O       3.73009926       1.78954745       6.91143136      -0.17253782      -0.18436719      -1.13069318 
O       5.49670091       3.70461517       8.90079645       1.17837248       2.59600548      -1.20347337 
O      10.74064886       4.96803523       2.10578761       1.15389195       0.10699907      -1.08955647 
O       1.84015355       7.42876751       6.01232499      -0.76045898      -1.20217050       0.72719250 
O      10.86809508       9.02525852       7.31700179       1.77377050       1.56025641      -1.93696372 
O       3.09503363       1.63387332       4.34414128       1.27895406      -2.28690055      -1.13572793 
O       4.72797382      10.61917871       3.34274301       0.91291821       2.25904001      -1.94936494 
O       5.51725995      10.44263624       0.54688788      -4.49187862      -0.85173163       2.79089678 
O       3.52138122       1.58169373       1.02255636       0.99655118      -0.39050390       2.82624982 
O       3.99910149       1.88250079       9.42646768       0.25993598      -0.52691260      -0.69584115 
O       5.53805433      10.79997297       8.63548226       1.24726034       2.21626384       1.28200572 
O       0.67307222       9.03395660       9.88655989      -1.65978643       0.66637289      -0.98629214 
O       3.77931613       5.27488321       4.26655256      -0.90287748       0.10610966      -0.79017989 
O       5.15249308       3.37534420       3.26873074      -0.26533652       0.96151186       0.90236622 
O       5.46144921       3.35372473       0.57996278       1.12319719       0.59726397       2.03687526 
O       8.99872550       7.02002687       6.25767973       1.52604750      -0.42300318       0.09254674 
O       3.55856621       5.54724082       9.59177807       0.59825407      -1.72970806      -0.84890695 
O       5.45768845       3.38356580       6.14922130      -0.10573499       1.07323126       0.04820047 
O       0.47653977       5.33837476       9.78043123      -1.55522947       1.60558982      -0.79121601 
O       9.10813025      10.87911572       6.37096659       2.10146378      -0.04283886       1.23987780 
O       1.73018763       3.55593293       6.85948329       0.58385275       0.89604922      -3.27025010 
O       7.15238499       1.42052417       1.08072430      -1.61328508       1.33601453      -0.22319699 
O       8.71970773      10.61845419       1.14715523       0.42771705       0.29021410       1.52355631 
O       7.22505110       9.23607530       4.39045938       0.91662777       1.01260447      -1.67730814 
O       6.90836398       1.38783202       3.46539700      -0.40928811      -1.55163418       2.71563300 
O       3.91900787       8.81338964       6.70082474      -0.60011216       1.47798169       0.72969968 
O       9.47091343       7.45357694       8.35344961       1.40966094      -3.26171188       5.01007201 
O       7.45502598       1.76064673       9.12213145       0.31778465       1.18660714       0.24124801 
O       7.43669210       8.90161721       9.67396501       0.53212625      -0.61202282      -1.19595741 
O       5.65142822       7.12141172       8.94541083       0.13074752      -1.15936267      -0.53752533 
O       9.15685411       7.29230352       3.49762423      -1.02362207       0.12413086       0.70940689 
O       5.71384116       7.29099921       6.21771947      -3.07124554      -1.27993155       1.42646254 
O       7.16924288       8.74096654       1.74178231       0.20336803      -0.56926162       0.45806542 
O       9.11784724       6.91488378       0.83896121       0.74792132       0.42131910      -1.47998910 
O       7.74641833       5.54583955       9.35851329      -1.17317626      -0.59953594       1.89396537 
O       3.79509880       9.07115485       9.23921765      -2.42610990      -0.89643960       1.83668733 
O       9.14381614      10.82994969       9.45228180      -1.09462018       0.19925342      -4.14531255 
O       7.28186596       5.32631560       6.85023053      -0.44851948      -1.36239207       1.47341841 
O       5.76181408      10.91227866       5.95419542      -2.76178721       0.04450406      -0.38363255 
O      10.95587061       5.27191611       6.70979434       0.43470898       2.30059076       2.05447092 
O      10.90362188       8.72815952       4.46527000      -1.30489993       6.73732076      -0.66790558 
O       1.16863204       7.13374380       3.38760313       0.94799933      -0.47673800       0.79153538 
O       3.41846209       8.82501867       4.15608526      -2.29547940       0.02743256      -0.93836876 
O       3.45181007       5.15292091       1.46630435       1.90632806       1.75606668       2.44387150 
O       5.10873284       7.47389823       0.69894040       0.65775197      -0.44915754       1.11399412 
O       9.05270133       0.07878701       3.77364480       1.81479286      -1.46939495       0.58857801 
O       9.53680698       3.72385609       8.87950975      -0.61164212      -1.10767538       0.20389545 
O       7.08874246       5.58227932       1.49754468      -1.89156678      -0.30674780       0.52659930 
O       8.88284104       3.66775633       0.88414860       0.65229982      -0.66488876      -0.28415649 
O       8.27116230       3.41171944       3.55000139       0.98341835       0.62899895      -0.05791200 
O       7.00870395       5.77313043       4.45770343       0.68005101      -1.80325404      -2.13794190 
O       3.28459916       8.81064067       1.35991444       0.91229721       2.30509356       0.30975904 
O       9.22001742       3.66370919       6.28662781       0.70860949      -0.61134984       0.71268175 
O       7.61380022       2.03274480       6.51293654      -1.11553334      -1.77901805      -0.27845449 
O       1.74206831       3.35347296       9.22688641       1.01172762       2.39340454       2.61251766 
O       7.42544773       9.00667474       7.14166900      -0.65167147      -0.26482484      -0.62169525 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011325220811760333 0.00224958366837255 -0.010573662597536263 0.00224958366837255 0.0008235754178844151 -0.007820602652249112 -0.010573662597536263 -0.007820602652249112 -0.0012380464701885131" pbc="T T T" energy=-1059.71733957 free_energy=-1059.71738392 config_type=crystal 
Hf       1.63548078       1.51550623       2.03413922      -3.15813861      -1.43884692       2.15305047 
Hf       3.16975300       7.31072308      10.46576131       1.61191514      -0.37781692       1.28529730 
Hf       5.25164630       5.23160635       2.51892802      -0.39133526       2.52198786       4.27355573 
Hf       9.08430588       5.67223268       7.79740358      -0.65082371      -1.52615677       4.80649707 
Hf      10.78502242       7.03816858       5.39682479       4.53531014       1.97902274      -3.03336416 
Hf      10.56021340      10.52272022       0.08787377       0.44182696       1.82596897       2.32743767 
Hf       7.47416096       3.59837253       5.39409569      -0.95544472       2.50702319       1.37924139 
Hf       7.45309553       7.62980442       5.36873989      -3.34663975      -2.97675919      -2.57290772 
Hf       1.75200891       5.29963161       2.75734319       0.77526558       0.55287275      -0.28795589 
Hf      10.89716518       3.44884461       5.05107724       1.48409104      -0.17774049      -0.98621775 
Hf      10.88163714       3.59126790      10.56353089      -1.50741849      -0.71027565       1.12750486 
Hf       1.55813142       5.52227593       7.89939542       3.47658509       0.62980328      -0.84831214 
Hf       8.95851764       9.19017075       8.01444595       3.08287756      -1.28484232      -2.32317669 
Hf       1.90447710       1.98219809       8.07653940      -0.33437692      -0.60305782      -0.36863654 
Hf       6.95446770       7.13064971       0.06410063      -0.24029510      -0.75570315       0.45323515 
Hf       9.05317803       9.10527490       2.91656614       0.35964658       1.49516337      -1.89213423 
Hf       5.36629164       8.94078064       2.50181150      -1.07753933      -0.18906519      -2.70785359 
Hf       5.52237684       8.88211597       8.07199635      -3.75757178      -0.47682456       0.69378663 
Hf       0.09792670      10.84155319       5.11371001       0.99272637       1.78233180       0.54846910 
Hf       3.52388072       3.27448578       5.37383522      -1.46398428       2.99446061      -5.84218524 
Hf      10.76023962       7.04439291      10.52278504       1.51138103       2.53336554       0.94469639 
Hf       1.78069643       9.27505324       7.73877763      -1.25739962      -3.80964814      -3.43224063 
Hf       7.39317607       3.60877241      10.26331627      -0.70806160      -0.85791979       0.83257361 
Hf       8.94149311       5.40695658       2.55905207      -0.34198570      -1.71546789       0.35670798 
Hf       3.73793083       7.18224853       5.40051465      -2.20337213      -1.62555837      -2.42019328 
Hf       3.55276413      10.87402118      10.40321134       0.11928600      -1.83710635      -0.00208373 
Hf       7.50106879       0.24026661       5.20090958      -0.69777484      -2.30494460       2.02309780 
Hf       5.27444048       1.74085263       2.34524952      -1.94707317      -0.56110528      -0.34066350 
Hf       5.48184128       2.06186486       7.88915491       0.78880204      -1.04766442      -0.13292812 
Hf       1.70436729       8.89723876       2.59872545      -0.35541679      -1.32483734       0.66151138 
Hf       3.79442325      10.59306442       4.96989209      -4.70443810       1.50066803      -2.79003340 
Hf       3.50136888       3.70407953       0.02481542       2.13668042       0.42328528       0.80896433 
Hf       7.19592184      10.73381615      10.26126870      -2.16371022       3.17688109       1.96073520 
Hf       8.51990941       1.57656292       2.48666369       2.35325067       0.85023154      -0.60966991 
Hf       5.22584152       5.44210026       7.74861041       1.19581943       2.85039459      -0.61339360 
Hf       9.55266360       1.89389798       7.82768485      -1.32028180      -2.26487967      -0.25210042 
O      10.77327671       9.06294672       1.89213345      -1.34236009       0.46004834      -2.48096606 
O       5.18075561       7.26274840       3.49170441      -0.79014747       0.10846197       1.45391284 
O      10.40027520       5.38594714       4.25703790      -1.13614607      -1.02142986       0.98323842 
O      10.89628136       2.11117694       3.58355991       0.50143061      -0.44417975       0.04767327 
O       1.35364941      10.74402079       3.33174126       0.33973340       2.32893169      -1.06719450 
O       1.57868598      10.66726097       0.55157027       0.06371461       2.66908020       1.55232460 
O       1.73580301       3.56516830       1.09362493       0.83499525      -1.07558092       0.75660912 
O       0.00877028       1.77877639       9.19939078       2.65148059       0.23064261      -2.33655900 
O       2.10732590      10.80824278       8.65273154       0.84789885       4.97811177       1.68460595 
O       1.87690972      10.34639162       5.88732923       1.63975498       0.75791004       0.94783625 
O       0.28247460       1.45520638       6.41988411      -0.37546698       1.82537560       1.99600795 
O       1.72264628       4.01734761       4.24805629      -1.12793069      -2.72783862      -0.33721271 
O       1.38674792       7.00924956       1.07526057       3.16180519      -0.25929953      -0.23252583 
O       1.97900310       7.49736423       8.67071708       0.08530206      -3.11964939       1.96271015 
O      10.64772040       1.67137374       0.72191934       0.42757772      -1.10328316       3.55094581 
O       3.52804718       5.59773045       6.89145734      -2.42248083      -0.89628206      -1.69938748 
O       3.55813191       2.02002554       6.77718379       0.17592158      -2.46540027       2.07124552 
O       5.74375115       3.92753865       8.69340755       0.32914680      -4.93197551       1.29946502 
O      10.81959243       4.57460297       1.95654593      -0.68695964       2.59602690      -0.55235168 
O       1.68911446       7.27797077       6.15719146      -0.01455331      -0.89738973       0.50839872 
O      10.82861645       9.13312385       7.02492410      -0.51794764       0.34009150       1.29075406 
O       3.45793601       1.49423669       3.86872939      -1.35779995       0.56081057       2.01674063 
O       4.99512372      10.84678446       3.10713284      -0.83266210      -2.20993758       1.67431869 
O       5.29121346      10.46988162       0.89543001       2.13760268       1.27266857      -3.40795295 
O       3.30759054       1.57403800       1.08706843       2.40525507       0.59759444       0.52487137 
O       3.77761982       1.63650506       9.25850407       0.08266188       2.42401400      -0.39241984 
O       5.47121320      10.87318601       8.71271077       1.73729999      -0.48023417       0.55560053 
O       0.36257140       9.07550405       9.80802061      -1.27740362      -1.95360587      -1.22562707 
O       3.35869919       5.43260951       4.18971020       2.97838806       2.06517313       0.82959391 
O       4.68689321       3.41730108       3.33648966       1.87867112       0.47437621      -0.56267062 
O       5.52062695       3.19998027       0.61882134      -2.69064669       1.16013283       0.17659851 
O       9.13920147       7.42613292       6.43972027      -2.58016581      -0.40175228       0.31763689 
O       3.76225194       5.45709124       9.30900872      -1.03792289       0.56491098       2.48053909 
O       5.48807963       3.39190836       5.98929875      -0.72130791       1.14830839       0.77677396 
O       0.14637161       5.45141614       9.36979353       1.11049863      -2.06040812       1.72813460 
O       9.09002842       0.01537729       6.65060548      -0.95278991      -0.33083686      -2.01888330 
O       1.54027139       3.60244926       6.55992172       0.78911857       0.06168805       2.10817562 
O       7.08541524       1.64561059       1.08790408       1.65429321      -0.99800180       0.95516928 
O       8.62297327      10.56551808       1.37295601       0.64478931       1.06261349      -1.66674266 
O       7.37486991       9.34680628       4.08849927      -1.13791136      -0.58342205       2.79734665 
O       6.77027685       1.36966708       3.75062504       2.61484041       1.75632050      -1.02716044 
O       3.80750932       8.89036168       7.07477464       0.04660478       0.01532595      -1.61730910 
O       9.60184223       7.16080402       9.07094346      -3.30899516       2.83506158      -7.72950770 
O       7.24887503       1.88400943       9.01519553       0.31368197      -1.06193271       0.77453428 
O       7.57012873       8.90477703       9.62302605      -1.20410632      -0.09879722      -0.17666956 
O       5.85670860       6.97457339       8.82267033       0.44384386       2.38221079       1.48773650 
O       8.87910143       7.29402350       3.57883819       0.31331258      -1.32250113       1.06679141 
O       5.49628184       7.01576597       6.34946614       1.78165779       1.81356846      -1.46176158 
O       7.14195028       8.52418290       1.69383893       0.82175175      -0.18408415      -0.25432988 
O       8.96505629       7.04562480       0.47430807      -0.53438936      -0.95992084       5.91451253 
O       7.71835563       5.43416044       9.78311750      -0.44823139       1.00920194      -1.51533222 
O       3.90794264       8.96655792       9.73061237       0.76408333      -0.20879785      -1.97566340 
O       9.08679136      10.87182505       8.99352406      -0.09046051       0.90117952       3.42809526 
O       7.35475338       5.30516012       7.02475914      -0.22937305      -0.96512411      -1.95583270 
O       5.46411174      10.79054873       5.66678226       3.90541113       0.19787479       2.09090381 
O      10.81056984       5.52096888       6.92397730       0.29442207       0.38272149      -2.13386340 
O      10.85007816       9.11006804       4.47136659      -2.40187874      -5.17623992      -0.96060185 
O       1.35882206       7.00436242       3.62955967      -1.07005094       1.00390388      -0.60521321 
O       3.06168805       8.85355182       4.12217343       2.87082068      -0.09870758       1.31705331 
O       3.64087710       5.31022047       1.47654358      -3.20076804      -0.98657105      -1.73878069 
O       5.08202310       7.19182363       0.90776262       0.51438373       0.15495628      -0.84657977 
O       9.33028737       0.10599349       3.85028148      -2.62562283       0.89475917      -0.38639741 
O       9.34560166       3.59577783       8.96135305      -0.56857750       0.75174207      -0.07751191 
O       6.93732266       5.13716015       1.64102725       2.88829220       0.88377025      -1.02159046 
O       8.98507312       3.75932921       0.86447049      -0.49053078      -0.74589554       0.76812680 
O       8.60121881       3.42673617       3.75985187      -0.30649101      -0.26113153      -1.05337725 
O       6.92023382       5.75134431       4.23987908       1.86219051      -1.64935739       1.31214335 
O       3.25879570       9.06051997       1.37022329       0.24551692      -1.13479117       1.09601791 
O       9.32101114       3.35595252       6.47434009      -1.08020053       1.17740804      -1.87655512 
O       7.21756826       1.80163565       6.42204254       0.12200856       0.59477069       0.30806297 
O       2.06245878       3.68857241       9.33628699      -2.42000940      -1.24019242      -3.39446507 
O       7.13338904       9.04069520       7.02128760       2.50771530      -0.11557918      -2.03729506 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008342193523786564 -0.006884945939663035 0.005295897711803635 -0.006884945939663035 -0.01622699706291957 4.9220559691242753e-05 0.005295897711803635 4.9220559691242753e-05 -0.0018354814705332642" pbc="T T T" energy=-1057.91096307 free_energy=-1057.91097202 config_type=crystal 
Hf       1.63868519       1.97488057       2.98798845       1.72454339       1.29700876      -0.39857039 
Hf       3.72625677       7.29199368      10.34731981      -2.08512847      -0.45615539       0.07304296 
Hf       5.31115984       5.21965664       2.75200339       0.02444035      -1.53081351      -2.88947286 
Hf       8.84630267       5.56487549       7.73163154       0.69408389      -0.67973895      -0.12120364 
Hf      10.94651988       7.11958766       5.04369051      -1.64907725       1.23078269      -0.73214475 
Hf      10.87144181      10.69374393      10.05195414       3.62920959      -1.15973451       1.96250832 
Hf       7.25298463       2.97832736       5.25303345       1.36425719       0.44866898       1.11785609 
Hf       7.26553867       6.93108321       4.93202798       0.74581828       0.52605995      -0.10036596 
Hf       2.05193281       5.49801420       2.56285141      -1.20499830      -0.18491390      -1.32527203 
Hf      10.80462938       3.70650332       5.32370354       1.41975046       0.42404307       0.28380143 
Hf      10.68374395       4.18033597      10.27758857       4.40761340      -2.66168382       1.68990706 
Hf       1.70905580       5.57669110       7.80939447      -2.05427472      -0.19198755       2.45961359 
Hf       9.21794936       9.11796535       7.67203803      -0.55320043      -3.48036965      -0.77435823 
Hf       1.68356623       1.88354424       7.88573216       0.61516161      -0.32430197       1.87170597 
Hf       7.28462588       7.35334444      10.38065937       0.69644259      -2.62770088       0.60411072 
Hf       8.90330959       9.16271096       2.65420575       2.58252116      -1.59740980       1.68573236 
Hf       5.28330772       8.69667055       2.50083991      -2.06012531       5.34872804      -1.46696392 
Hf       5.36117749       9.21514342       8.07073479       1.86427956       0.94872906      -1.67094874 
Hf      10.84499293      10.82777218       5.35023236       0.00323219      -0.44361190      -2.39542229 
Hf       3.89061332       3.68153953       5.29510144      -2.57399721      -1.97736424       0.06401236 
Hf      10.76367136       7.21159648       0.12001268       3.51017958       2.28121903       0.70330030 
Hf       1.96467900       9.15087925       7.48567680      -0.62434930      -2.12016368       3.24339783 
Hf       6.75329571       3.44083796       0.12131972       1.29938062       0.55594028       0.33447726 
Hf       9.17485569       4.94649212       2.49475364      -1.68057492       2.43424477      -0.98928047 
Hf       3.50415762       7.05060737       5.27579970      -2.22105258      -0.90361934       1.78353795 
Hf       3.62798562       0.14192468      10.60998036      -2.04010447      -0.94980005       1.02589114 
Hf       6.92081120      10.68961604       5.46702169      -1.39625341      -5.19226501       2.62975888 
Hf       5.11897287       1.65774502       2.78655551       0.58850265      -1.57895976      -2.15998897 
Hf       5.52867818       1.76376229       7.98310262      -0.30975037       0.04053748      -0.16222209 
Hf       1.55040920       9.12442665       2.47585899      -0.08833309      -0.05855509      -2.68851743 
Hf       3.49278628      10.75337842       4.96334760       0.73472623      -1.61003075      -0.46174441 
Hf       3.44299805       3.61241396       0.08861493       1.21013627       2.93085008       2.90956008 
Hf       7.41470384      10.87408955       0.10866771      -3.00022785       2.81578765      -0.09839755 
Hf       9.13885011       1.76083912       2.26648651       0.48476943       0.40356604      -1.51351427 
Hf       5.20470981       5.31618426       7.72316501       2.98482771       0.61312556       3.18874669 
Hf       9.36636087       1.86654534       8.12360748      -1.63691119      -1.05223813       3.35078047 
O      10.63013251       9.13314751       1.15203362      -0.07745347      -1.17719383       0.50327820 
O       5.62713976       7.09365985       3.30088846       0.49924623       0.64290066       0.53810770 
O      10.34560300       5.26463968       4.05237459       0.85923807      -0.48169239       0.75976945 
O       0.45708640       1.94941467       4.58687788      -1.79278620      -3.33763793       2.29793747 
O       1.81820451      10.93531189       3.42859887       0.83257767      -1.51840393       1.65565465 
O       1.64356138      10.72816286       0.73632770      -1.62558668      -1.22629749      -1.16870959 
O       2.68091863       3.58373740       2.36072567       1.20070825       0.62377413      -2.04608106 
O      10.90098456       1.88928836       9.66365658       0.41675523      -0.45457826      -1.37771905 
O       1.91494819      10.77220839       8.68835803      -1.08291562       0.77113647       0.69821995 
O       1.80034963      10.73710569       6.16098580       2.34931548      -0.11634383      -1.94299620 
O      10.95031088       0.98035625       7.06505495      -0.92591119       1.19421702       0.68069936 
O       1.58816138       4.01344783       4.37943413       2.20402754       0.97630281       0.03530506 
O       1.78214054       7.24380668       1.07891556      -1.31059230       0.75250543      -1.25384005 
O       2.27191975       7.36979377       8.82289545       0.49498673      -0.89373557       0.27877825 
O       0.12338088       2.74561392       2.17661353      -3.44823622      -0.71581719      -2.17003684 
O       3.42268672       5.04494416       6.78610301       1.89640530       0.83144124      -0.53585207 
O       3.36040821       2.04050559       6.98683285       2.81656625       0.23026607       0.35463177 
O       5.11831101       3.14242972       9.46662234       0.46011393       0.29174818      -1.15219119 
O       0.34557525       5.19323384       1.21053468      -1.66810497       1.43650615       2.50595423 
O       1.62800058       7.05078409       6.41873384       0.20218801      -0.22457237      -2.13420693 
O       0.18293912       9.00213095       6.47582401      -2.32840826       0.19374305       0.32142697 
O       3.87084935       1.67906178       4.57335652      -0.69038777       1.83037155      -1.76073219 
O       5.27440980      10.67556968       3.52486657      -2.46901836      -1.45973488       0.25768200 
O       5.46649105       0.05988714       0.94056180       0.44560632      -0.01143935       0.67886905 
O       3.18997821       1.34110303       1.70308711       3.81845185      -0.21825657       1.13319574 
O       2.86326043       2.03694697      10.03375878      -1.17140395      -4.70185648      -3.53917929 
O       5.14232087       0.30503509       9.09877795      -1.35379716      -0.85597100      -0.75998051 
O      10.78687584       8.51676931       9.06407660      -0.70428288       3.13554446       0.37739121 
O       3.72228248       5.53192434       3.94303482      -0.45041477      -2.55927100       1.30497459 
O       5.60317427       3.57385739       4.11012206      -0.65517052      -0.23454227      -1.32822750 
O       5.21724106       3.44430970       1.51632166      -0.54609223       0.10491946      -0.60104071 
O       9.04834577       7.19814875       6.00757712       0.45141880       0.06876260       1.29166348 
O       3.94649505       5.30808405       9.70048521       1.39314542       1.55759764      -2.47685094 
O       5.64371564       3.36619682       6.45223347      -1.17446592       0.77777069       1.52549291 
O      10.92093006       6.05682673       9.16900385      -0.88032353      -2.74118335      -0.43888479 
O       8.75421157      10.03028396       5.92473130       3.84668356       2.00911211       0.48032733 
O       1.53067711       3.68524507       6.92326749      -1.22557922      -3.05638468       0.89080737 
O       7.10497564       1.94247327       1.67280509       0.08766346      -1.97998657       1.29293354 
O       9.32689342       0.29309732       0.53444100      -0.57127044       1.25109194       1.76492248 
O       7.32068953       9.26330468       4.07451778       0.65329830      -2.58733984      -3.48774465 
O       6.81943796       1.18373171       4.37840089       0.87806644       6.84549041      -3.30388216 
O       3.63848650       8.45955861       6.69556572       1.49517846       2.09939588       0.63305982 
O       8.41333492       7.29039948       8.68913745       0.26515648       1.06396843      -0.69235411 
O       7.24927635       1.67819823       9.61867996       1.18048800       0.81449003      -1.37507032 
O       7.08388742       9.66144079       9.35502836      -0.93529280      -3.32560300      -3.23076034 
O       5.38330740       7.09989348       8.61908310       0.59862908       1.03409968      -0.00902639 
O       9.27731982       7.21031846       3.46371496      -1.25717634       1.36826562      -1.11393927 
O       5.35933710       6.55929782       5.58355177       1.94053198      -1.57333385       3.12982462 
O       7.75904490       8.95566722       0.92261240       0.94153468       0.14947329       2.86431523 
O       9.06804367       6.51145253       0.75991717      -0.15988771       0.04233604       0.22374342 
O       7.17947962       4.90803163       8.59747774      -2.09269471      -0.26926998       0.74911766 
O       3.86963718       9.20976129       9.21938128      -2.32032952      -0.62448041       3.42812137 
O       9.28627251      10.80490296       8.60042081       0.45756874       0.35713058       0.71288540 
O       7.61435832       5.06083902       6.20818473      -0.04819715       0.40616989      -2.44301117 
O       4.96153153      10.83193557       6.32499106       0.13416561       0.04879074       1.05097369 
O      10.92330620       5.20179880       6.74512514      -3.16973323       2.35136844      -0.79742475 
O      10.87243497       9.19607231       3.89548630       0.60424335      -1.94723394       1.06787660 
O       1.65266593       7.19386496       3.56441357      -2.33089123      -0.37128357       2.30972342 
O       3.55795399       8.39297516       4.06044934       1.35073712       5.91348980      -2.25747329 
O       3.70087041       5.77484449       1.48531410       1.29383416       0.52544858      -0.74990072 
O       5.58243884       7.80414965       0.57745380      -1.89898019       0.26657637       0.68686894 
O       9.60767389       0.03367228       3.19802344      -1.38362510       1.37762901       0.55793923 
O       9.41273521       3.78620439       9.03695649      -3.30135574       0.17476527      -4.69637063 
O       6.99099106       5.38996230       0.74548543      -1.75853529      -0.04441385      -0.33732560 
O       8.72967145       3.33006294       0.84802137       3.18744572       2.27036929       0.89581009 
O       8.83129865       3.17155909       3.67410145      -0.77852371       0.77941955       1.48132092 
O       7.13026132       5.54058133       3.36658769       5.02400842      -1.69421104       1.18002491 
O       3.49032950       9.08239308       1.61190443       0.74223256      -0.06864610      -0.59096632 
O       9.29353601       2.85985640       6.55446171      -1.40175161       1.89780741      -3.73043131 
O       7.22304199       1.16692466       6.92934739       0.72893315       2.16033391       0.51007766 
O       1.79185555       4.24475539       9.76854280      -2.61932538       0.07424052      -1.14079080 
O       6.64966093       8.89570229       6.53893061       0.42179180      -1.74012827       0.67503926 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017382551017436493 0.0024898676264593763 -0.0017743139071524769 0.0024898676264593763 -0.004762009226043002 0.007373709544020829 -0.0017743139071524769 0.007373709544020829 -0.0035131906538428005" pbc="T T T" energy=-1060.91236445 free_energy=-1060.91236789 config_type=crystal 
Hf       2.15062588       2.05196754       2.51916345      -4.21076772      -2.87332076      -1.53881305 
Hf       3.61411905       7.21897556       0.17866052      -1.04990818      -2.96353666       1.11099423 
Hf       5.70107753       5.40832083       2.34447531      -2.12603249      -0.81889214      -0.00001616 
Hf       9.17448242       5.45688899       7.79552277      -1.54469718      -1.56827617       0.49781874 
Hf      10.89922053       7.39664244       5.06914473      -0.04641223      -0.92653691       3.30601205 
Hf      10.85903414      10.81326490       0.26444484      -0.43073126       0.25992182      -2.95117497 
Hf       6.90706646       3.50950831       4.80901346       2.00612851       4.05774178       2.81557109 
Hf       7.27598949       7.38185293       5.00956940      -0.47742380      -1.88100356       2.07793456 
Hf       1.47017359       5.50144069       2.54091060       5.72076881      -0.06701160       2.67695628 
Hf      10.81214925       3.80640517       5.39624743      -1.58788511       0.39961895      -2.60553039 
Hf       0.03724339       3.02395165      10.43463683      -0.36661279       2.65827485      -1.61853337 
Hf       1.96003903       5.29403660       7.80984865       2.10832660      -1.72531241       0.39254602 
Hf       9.35438312       9.03822736       7.93193897      -2.71540682       1.28159530      -1.22475523 
Hf       1.32910139       2.06889982       7.56709876       3.22012042      -2.24251374       1.64669993 
Hf       7.13708987       7.30409853      10.38984548       2.07399110      -1.17872165      -0.14231148 
Hf       9.08742133       9.14108459       2.97248520      -2.11014191      -0.34101644      -2.19680227 
Hf       5.42225379       9.09779634       2.64591364       0.04981755      -2.34897536      -1.02103360 
Hf       5.21163652       8.97076568       7.53947590       2.99188633      -1.59208484       3.18648014 
Hf      10.71030611       0.14056033       5.06650109       2.51593461      -0.58858866       0.61117306 
Hf       3.68501970       3.45360784       5.23498945       1.10239478       0.64263688      -0.66015947 
Hf      10.64539784       6.76087540      10.55865802      -0.49928331       0.26328968      -0.61832630 
Hf       1.60073657       8.55142116       8.11268639       1.40152530       4.53762863      -1.48764029 
Hf       7.37533159       3.52092632      10.37892078      -2.23482891       1.87132921      -0.29496389 
Hf       9.13593110       5.40624795       2.48273989       0.27238694       0.50098118       1.58896402 
Hf       3.42452590       7.22607647       5.39794637       2.36533839       0.97896706      -2.08190870 
Hf       3.52938096      10.55039562      10.21628890      -0.70101147       2.49719471      -0.47375546 
Hf       6.86775085      10.89870626       5.62018547       1.32672407      -0.99653255      -1.81051339 
Hf       5.46024273       1.32608586       2.49566135      -2.36269047       1.14738576       2.36569577 
Hf       5.43236684       1.61003536       8.03291692      -3.60505103       2.51122349       1.38100582 
Hf       1.71144750       9.16333118       2.47434797       1.96867663       1.79907127       0.75509613 
Hf       3.37032515       0.14339388       5.19410808      -2.50368630      -1.87303358      -0.67393430 
Hf       3.52523422       3.62278086       0.03394233       1.69823900      -3.53100945      -0.93716797 
Hf       7.12757360      10.78477865      10.59336968       1.13573453       1.08687234      -0.40469323 
Hf       9.28459318       1.73059979       2.55133308      -0.88309472       2.38845007      -0.20106666 
Hf       5.58847143       5.38590638       7.90014051       3.15623412      -2.02853765       3.47434529 
Hf       8.93514082       1.50689153       7.71377067       0.85699665       0.73211089       3.45957609 
O      10.71608277       9.42589446       1.71555663      -0.86032152      -0.04619542      -0.40877050 
O       5.62774442       7.15795732       3.44561122      -0.14848387       2.03032775      -0.94074060 
O      10.81737527       5.53437256       4.33714134       1.36442994      -0.59398443      -1.96747953 
O      10.75299671       1.89924210       3.98788622      -0.50304761      -0.52798395       1.93999460 
O       1.70831605       0.10127935       3.54066839      -1.31883109      -0.81985260      -0.29024286 
O       1.80008888      10.83032120       0.97631213       0.99781202      -0.64479788      -1.30378858 
O       1.75257051       3.83347953       1.09717108       0.40859591      -2.16952788      -0.81721723 
O       0.04180130       1.34881956       9.08448045       0.86854856       1.50329052       2.07710269 
O       2.14416841      10.63694255       8.80472751      -0.44723011      -0.87054312       0.00836088 
O       1.68307277       0.74911310       6.14554792      -1.72041195      -1.64594301      -1.32134760 
O      10.44194295       2.31314050       6.76933779       2.79178026      -0.08028265      -1.94218947 
O       1.46123097       3.45194910       3.59259180       0.42768206       4.18856284       0.94080888 
O       1.49088218       7.39120355       1.09857284       0.31192534      -0.22620215      -1.18371911 
O       1.52629274       6.74474006       8.96216819      -1.08731250       1.68556050       2.29449165 
O       0.10672152       1.66512772       1.40779404       0.42881650       0.40610449      -0.42959315 
O       3.93029803       5.89378864       7.17446818      -3.79961330       1.40457675      -2.43171977 
O       3.51008175       2.18422859       6.84729066       1.62649659      -0.60706447      -0.06177913 
O       5.33249950       3.53164315       8.86632671       1.00571995       1.72688091      -1.29019158 
O       0.02949388       5.26160673       1.41203161      -4.86454282       1.07334540      -0.41804127 
O       1.77362115       7.23154133       6.42217424      -0.71732374      -0.54380631      -0.24922199 
O       0.17907944       9.31293054       6.68224822       1.52033641      -2.91154449       1.25469705 
O       3.36029186       1.73181382       3.96702787       2.74108719       0.13912166       3.51668244 
O       5.43872362      10.61030851       3.81564009      -1.30116491       2.68445904       0.11076690 
O       5.37169306      10.65968446       1.03255304      -0.83867552       0.46729093      -0.30927549 
O       3.81882840       1.93836149       1.50696708      -0.23113060       0.11513660      -0.52210789 
O       3.77991028       1.80826490       9.53229436       0.17342223      -2.40429036       0.43264255 
O       5.39790945      10.55079059       8.77301833      -0.87587767       2.06466226       2.07442387 
O      10.79461954       8.93517895       9.24435985       2.25320252       0.16973915       2.37765619 
O       3.53410289       5.34593692       4.45156922      -0.82008376       1.79211133       1.46813568 
O       5.08145218       3.33767430       3.62077555       1.75602148       2.39339602      -0.42577014 
O       5.28405481       4.01834308       0.79552081       2.34300400       0.34950463       1.19508926 
O       9.06934327       7.38116687       6.35373156       1.77476493       1.34246011      -0.36083349 
O       3.56351744       5.17041151       9.64661074      -0.52561907       5.28175722      -1.63835894 
O       5.64290566       3.87463081       6.41242734      -0.47605575      -0.71593611      -2.84359403 
O      10.31959817       5.03304079       9.59625894       2.07975196       0.65094999       0.10752873 
O       9.43059426      10.69112961       6.66579272      -1.30677082       2.23204747      -3.20584830 
O       1.89314344       3.78051899       6.14892996      -2.73466249       0.37729759       1.41267757 
O       7.02616048       1.58080267       1.61889406       3.46477265       1.56084160      -1.70198547 
O       8.99497997       0.53853659       0.84226821       0.59454468      -1.89957882       0.37086387 
O       7.28226432       9.37961150       4.35610550       2.94912305      -3.14058181      -0.79687432 
O       6.76027742       1.80136941       4.15071176       1.08379129      -4.27077072      -0.03221636 
O       3.47910157       9.06271227       6.84733498      -3.93576847      -0.49565436      -0.85847086 
O       9.08656260       7.14632391       9.39760027       0.00796748       1.03116498      -3.78942579 
O       6.69934267       1.83123843       9.56969473       1.88831198      -3.74747703       0.40688613 
O       7.36397745       9.06302911       9.68148715       1.16382837       1.86532957       0.35369332 
O       5.68800242       7.43520613       8.88447541      -0.99742445      -1.29557536      -1.20605179 
O       9.26992693       7.18600479       3.63457507      -1.65448738       1.44771121       0.60124020 
O       5.51154990       7.95910989       5.70663028      -1.49947977      -0.95913041       1.37870304 
O       7.23310069       9.17852595       1.75892933       1.18820856       0.44994787      -0.01572656 
O       8.82913396       7.17212080       1.15207975       1.97104451      -0.62976429       0.57099888 
O       7.34474485       5.39123790       9.68470200      -0.93881692      -0.59969812      -1.49540442 
O       3.52552324       8.64399279       9.45471010      -0.91279786       0.22289050      -0.39419393 
O       8.97701914       0.07138502       8.99345125      -1.35768182      -2.64548104       1.81714185 
O       7.32439671       6.03018393       7.12477612      -1.54108578       0.03038800      -0.79443955 
O       5.04852842       0.07997716       6.27811685       0.90079178       0.48076675       1.26067557 
O       0.18327953       5.51585353       6.93571660      -2.31300050      -1.22349525      -0.08889203 
O      10.72991856       9.10133392       4.19115681      -1.02864107       3.85235832      -0.09897658 
O       1.44956853       7.57251286       3.60402732       0.73969390      -3.63853075       1.07787752 
O       3.23945102       9.27674025       4.28535165       0.36797049      -1.83593345      -0.55520022 
O       3.51046093       5.69102682       1.82733513      -0.78081671       0.36620899      -0.19602197 
O       5.47945178       7.04963426       0.85414687       0.14471666      -0.41845069       1.09984588 
O       9.06607521       0.20296395       3.79682707      -0.48782581      -2.18327542      -0.41798238 
O       8.95046936       3.31152890       8.59632683      -1.38081092       0.42094326       0.50119821 
O       7.58073983       4.96743495       1.52558324      -3.27514524      -0.29566254       0.13527689 
O       9.17029153       3.46784144       0.46480234       1.74136889      -2.01629355       2.68230442 
O       9.00616714       3.63949807       3.58129816      -0.41598600      -0.91259470      -1.25431192 
O       7.14697985       5.49369677       4.10771268       0.09490638      -0.83146284      -0.65253899 
O       3.65736106       8.94552207       1.46322789      -0.93256138      -0.47053312       0.45432727 
O       8.85586671       4.22607059       6.10991611       1.05777323      -0.16801418      -0.60347854 
O       7.32390972       1.60587077       6.67975158      -2.54984774       0.32557567      -0.22953795 
O       1.72200963       3.44781825       9.03436025      -1.07260118       1.27085248      -0.77014477 
O       7.16089178       9.43658960       7.14245990       0.90730845       1.05241487      -1.98023423 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010226068903576403 0.0030528332934715613 0.0187076215511333 0.0030528332934715613 -0.02624833463679013 0.009657370784922641 0.0187076215511333 0.009657370784922641 0.004397316998972402" pbc="T T T" energy=-1059.70786262 free_energy=-1059.70786608 config_type=crystal 
Hf       2.09426153       1.99482619       2.51959084      -3.21613415      -1.69627629      -0.40456713 
Hf       3.49107845       7.17131740       0.20075003      -2.37318890      -0.29296205       0.01102637 
Hf       5.68485070       5.42763253       2.32096332      -2.38879711      -0.83721435       2.75064863 
Hf       9.19125474       5.49675810       7.74541799      -0.22755303      -1.12336972      -0.53207751 
Hf      10.94964300       7.38781442       5.19704732      -0.23093315       0.62013556      -0.25181661 
Hf      10.85805544      10.84656282       0.20974291       0.95438850      -2.64836421       0.68530485 
Hf       6.97431285       3.42578442       4.79054940       1.29769423       2.62077518      -0.42859735 
Hf       7.24723689       7.40324978       5.06415729      -1.72777894      -4.62837342       1.93860281 
Hf       1.62895134       5.44349846       2.60341890      -1.52426998       4.08688826       0.90629561 
Hf      10.82365196       3.86224538       5.36987305      -1.28428925      -0.00485040      -2.00262352 
Hf       0.06657917       3.00301210      10.42276551      -2.58297394       3.90286357       1.66171267 
Hf       1.93574169       5.28406259       7.75678134      -2.17347410       2.76990456       0.86844460 
Hf       9.34381375       9.06213631       7.94133809      -0.10493596       0.57266180       0.78021183 
Hf       1.29570258       2.05673077       7.68636305       5.18125032      -4.15618049      -0.40616062 
Hf       7.15549704       7.42875491      10.46532701       1.61234740       0.17741425      -1.22922460 
Hf       9.09978321       9.11755767       2.94671221      -0.75166116      -0.22774940      -2.37187729 
Hf       5.47609881       9.05651588       2.56469586      -0.92271639       4.64914588      -0.53225893 
Hf       5.25311090       8.92100780       7.53022442      -2.17714120       0.06558234       1.31905681 
Hf      10.71516674       0.11122991       5.02084507       0.59301014      -1.40173489      -0.18676343 
Hf       3.79541795       3.46565188       5.20533517      -0.64326196       0.92044313      -0.32084443 
Hf      10.62520670       6.69622514      10.54682093       2.07693308       3.35145079      -0.32709129 
Hf       1.59371827       8.64474590       8.19877811       1.07090949       1.66007396      -1.45602278 
Hf       7.29708483       3.57539967      10.41399616       0.99677621      -1.79952668       1.91979179 
Hf       9.13244370       5.41368445       2.47320504      -3.39701725      -0.40830451       2.84921345 
Hf       3.38175675       7.10665706       5.32633624      -0.25400862       2.38192244      -1.38923465 
Hf       3.48118289      10.67459536      10.18251217      -1.02899735      -0.19660222      -0.29173379 
Hf       6.83002408      10.91068434       5.68497018      -0.13775386      -0.22413942      -6.82926253 
Hf       5.38376350       1.45021504       2.43660727       2.15646667       0.53773285      -0.25871059 
Hf       5.46158528       1.60584908       8.01462356      -2.24359419       0.20173108       0.48359491 
Hf       1.88624412       9.32964469       2.52272066      -1.06216803      -2.36553673      -0.48921226 
Hf       3.31941021       0.01197830       5.14265362      -1.62426091      -2.25862103       2.07244645 
Hf       3.55776412       3.64576348       0.05215714       2.51495349       1.22762768      -0.60812804 
Hf       7.10610970      10.88968114      10.60090957       0.31961810      -0.91159021       0.42220976 
Hf       9.25361563       1.78378142       2.59513104       0.33435589      -1.26824514      -1.88019417 
Hf       5.62356569       5.30987098       7.93611181      -1.41629762       4.49910870      -0.49011608 
Hf       8.87420333       1.43610021       7.68502135      -1.10066181       3.69428114       5.06619429 
O      10.77337005       9.45797725       1.71453412       1.30607936      -0.07222336       0.01392313 
O       5.42549589       7.43005802       3.40802878       0.94360115      -3.24719443       0.79207664 
O       0.10608761       5.51754930       4.08696115      -3.34340302      -0.04690134       0.37980074 
O      10.69794917       1.79469403       4.07245320      -0.02842902       2.69812640      -0.10561982 
O       1.53298708       0.11019413       3.53328219       1.97314413       0.64282815       0.57009605 
O       2.05162516       0.15157593       1.03719174      -0.82211318      -1.91311855       0.00636491 
O       1.77594459       3.30395600       0.83173711       0.31962007       1.29087923       0.86100740 
O       0.34386699       1.33859466       9.49637525      -0.98743053       0.93759190      -2.25411056 
O       2.08220336      10.74411688       8.72030423      -0.18048170      -0.05858261      -0.08256502 
O       1.28269331       0.45904512       6.14973798       3.80543562       1.36045629       0.51040714 
O      10.64397476       2.39241034       6.81759525      -2.14858902      -0.92357560      -0.04440654 
O       1.59840360       3.86002044       3.63396709       1.56705999      -5.24945515      -0.02171298 
O       1.48637740       7.48424059       0.93704796       0.17406374      -1.57563827       0.88940675 
O       1.34110687       6.82421467       9.14269931       0.46776859      -0.94165718      -1.65926601 
O       0.18894060       1.69451314       1.48216696      -0.54286202       0.04565144       0.70666088 
O       3.60761556       6.04003152       7.10689335       2.84528949      -2.02602013      -0.11143651 
O       3.71359153       1.97677717       6.72176281      -1.27728786      -0.30606415      -0.20368015 
O       5.54036758       3.56557936       8.64234041       0.60164708      -2.05659117       2.45160245 
O      10.73332850       5.27119202       1.49384122       4.01520823       0.67554074      -1.35554295 
O       1.60260928       6.96715573       6.24694369       0.77968666      -1.12462801       1.45447305 
O       0.30053502       9.02377607       6.54219329      -1.52307266      -0.19087705       2.48674202 
O       3.66698394       1.71151334       4.17468728      -1.09139825       0.52635924      -2.39698213 
O       5.45288863      10.83661543       3.83956001      -1.98637937      -3.52031085      -0.46651197 
O       5.09708891      10.79094129       1.15490643       0.95899108       0.79985792       0.43449623 
O       3.67897429       1.90147187       1.33148771       1.02889969       1.91391975       0.98385969 
O       3.99635614       1.42454042       9.20526214      -2.23186458       3.18271515       2.72041321 
O       5.27468600      10.47926062       9.25424907       2.65967329      -1.44988072      -1.82851926 
O       0.08344451       9.04866120       9.47722540      -2.58298665       1.37297438       0.22861341 
O       3.64926042       5.37423452       4.35204384      -0.82593000       0.43957918       0.98669961 
O       5.27172087       3.72183899       3.51555737      -0.00831934      -2.19898683       0.24122304 
O       5.56619646       3.82868277       0.89361043      -3.58176209      -1.08523395      -2.09959269 
O       9.31554388       7.31839052       6.44499502      -1.77382310       0.66156134       0.75329339 
O       3.78516247       5.61887181       9.58820683      -0.58526552      -3.52881789      -0.17049237 
O       5.49338025       3.55793865       6.19751300       0.54424243       1.85876215      -0.03570650 
O      10.51617817       5.17540196       9.38783679      -0.90636988      -0.83963413       0.55963691 
O       9.56971563       0.01177825       6.68058840      -0.87946654      -1.77408571      -1.40140796 
O       1.75744572       3.74274829       6.37825415       1.65500061      -1.01166673      -0.87078856 
O       7.11300266       1.69967648       1.16976992      -1.25618287       0.44287014       2.80096836 
O       9.16981297       0.32920490       1.00931592      -1.75939896      -0.06384313      -0.32050867 
O       7.58361425       9.09886926       4.32104734      -2.77517499       3.15043593       0.61680558 
O       6.65628384       1.59599076       4.13629331       1.83276289       2.17729125       0.25300054 
O       3.07685434       8.89746631       6.83826579       2.80494804       0.58801325      -0.13965735 
O       9.11012205       7.38851418       9.02731386      -0.00614597      -2.64217766       0.62040578 
O       7.12337120       1.50694149       9.41496210      -0.98297886       3.56905028      -2.48759896 
O       7.72964699       9.18134372       9.69851428      -2.77014606      -4.47728124       0.83328700 
O       5.50438972       7.40481331       8.72561788       1.78806625      -0.95791682       1.52750250 
O       8.82829342       7.25395347       3.92286406       3.37158185      -1.67137353      -2.40082344 
O       5.27883471       7.80632135       5.91133844       0.49676109      -0.13502638      -0.54745718 
O       7.23608785       9.39202903       1.54492536      -0.35540534      -1.86923534       0.91576646 
O       9.07056761       7.22356076       1.36175846      -1.13846438      -0.54687584      -1.63205309 
O       7.25235740       5.43226812       9.74949064      -0.03896495       1.06478872      -2.36327889 
O       3.08880415       8.67000014       9.63981562       1.45745744       0.68766446      -0.17462955 
O       8.66903590      10.79979395       9.09008587       4.26907356       3.19326634      -3.12991918 
O       7.01530352       6.01175441       6.73878260       0.72087501      -0.68244819       1.14944188 
O       4.99360062      10.71765825       6.49064466       0.62065877       1.74226810      -0.80365056 
O       0.00781371       5.32365943       6.66936949      -0.50002030       0.92395590       2.55639970 
O      10.63432373       9.29216695       4.18351955       0.90065145      -2.63413852       0.22778173 
O       1.59039356       7.35077854       3.75266815       0.62714998      -0.24851278      -1.79113610 
O       3.23210885       9.02310282       4.14339232       0.69751594       2.76891860       0.59977201 
O       3.32866047       5.32511231       1.63592385       1.76327651      -0.55429233      -1.61746116 
O       5.44698170       6.71759054       0.74828447       0.87381376       2.42128706       0.13998300 
O       8.85316419       0.00677607       3.79000304       0.47716733       2.16249975      -0.60977858 
O       9.10887734       3.42528866       8.54013099      -1.46677698      -1.36905749       1.41765010 
O       7.35091516       4.87839127       1.58709836       3.65471084       0.80063014      -1.23108241 
O       9.32156212       3.42483267       1.00607205      -1.03571077      -0.99967365      -1.73183895 
O       8.74575201       3.42012718       3.53147069      -0.25819015       1.65428541       0.88409860 
O       7.01384298       5.45030257       3.87993639       0.71663107       0.63602087       1.89204955 
O       3.63483301       8.80517910       1.55530267       0.84931020      -0.23077519       0.34808589 
O       8.88421065       4.19252124       6.14000235      -0.70743099      -0.59385310      -1.76006258 
O       7.11252038       1.67722073       6.66776727       1.58606681      -0.59790141       0.04680210 
O       1.51076612       3.65620948       8.99489701       1.59280321      -0.50561499      -0.15903025 
O       7.21099674       9.48194591       6.87120431       0.94854282      -2.05208076       2.10509808 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007368412019459672 0.00399373081402537 0.014133379051988224 0.00399373081402537 -0.004532897563049998 -0.008401123069240084 0.014133379051988224 -0.008401123069240084 -0.019425693912859275" pbc="T T T" energy=-1064.81072058 free_energy=-1064.81072327 config_type=crystal 
Hf       1.63167598       1.79325003       2.37284676       1.48131227      -0.70765537       0.24700114 
Hf       3.20246564       7.01223661       0.04365554       1.78957082       1.09412243       1.47989965 
Hf       5.49389486       5.57578931       2.52800763      -0.95742039      -2.32597284      -0.28754021 
Hf       8.83700793       5.37568104       7.84437291       1.34408597       1.55975292      -1.86051784 
Hf      10.83656547       7.26743143       5.48597659       0.34234731      -0.39270952      -1.31367179 
Hf      10.85127477      10.66368110       0.08775749       4.80981611       4.28577230      -1.95565238 
Hf       7.41720313       3.50015024       4.94882212      -2.79461258      -0.98798859       0.50910141 
Hf       7.09178648       7.09108157       5.28873881       0.29262434       1.79847521       1.04869150 
Hf       1.95830119       5.36598629       2.78072996      -1.86467372       0.34381999      -0.82157523 
Hf      10.87468862       3.62327311       5.30120376       0.21643036       0.37899485       0.21882810 
Hf      10.81286742       3.75924945      10.61990423       3.07602676      -6.45435339      -2.94620106 
Hf       1.98171153       5.24088696       7.68527283      -1.23386675      -0.57522161      -0.85605886 
Hf       8.90959658       9.14660400       7.98848047      -0.10655775       0.85098651      -1.40678810 
Hf       1.72874450       1.64173491       7.80841894      -3.50236562       0.85742707       2.78315199 
Hf       7.35070305       7.36695266      10.52649190      -1.54924847       1.65605603      -0.90703115 
Hf       9.09483208       9.05234460       2.38298109       2.02846956       0.64894593       2.64730553 
Hf       5.55644310       8.99954950       2.41650496      -2.27254367       0.34068732      -0.30748013 
Hf       5.24962832       8.81701947       7.79067606       0.97857858       2.61418353      -2.08149947 
Hf      10.66916414       0.07746582       4.97847299       1.04089026      -0.86132135       0.74016809 
Hf       3.68977077       3.46438153       5.19613035       2.14422424      -0.97414498      -0.94387154 
Hf      10.93364132       6.90410812      10.34234948       0.08456199       3.16179204       1.45773258 
Hf       1.75521573       9.16217839       8.35251043       0.26569025      -0.75545183      -1.89785218 
Hf       7.38203152       3.65219312      10.46323118      -1.34518143      -0.46987715      -0.79221274 
Hf       9.00171101       5.63903611       2.58143951       2.58345865       0.53339733       3.97315340 
Hf       3.55352722       7.09759787       5.04706331      -0.15712001       1.31001021      -0.49862950 
Hf       3.68162564       0.13075778      10.30601966      -2.90644300      -2.69396176       1.80673377 
Hf       6.99453346      10.69105029       4.95609331       1.86887010       3.24397337       2.39473761 
Hf       5.41481412       1.95925184       2.53734808      -3.50424202      -3.45845428      -0.63799676 
Hf       5.16320859       1.67426820       7.78631019       4.68820270       1.38210032      -0.22645335 
Hf       1.95075064       9.26645585       2.54183096      -0.62116288       0.43397544       1.96075142 
Hf       3.35681607      10.79389732       5.46843056       0.86129141      -1.98153191      -4.11794911 
Hf       3.58848201       3.58588708      10.37700172      -0.54227577      -0.11808355       1.93947354 
Hf       7.12892655      10.90551902       0.16099661       1.97071151      -0.38984500      -1.00272783 
Hf       9.02712838       1.70665578       2.42641639      -1.03633485       0.50522670       2.24355119 
Hf       5.45055007       5.39031946       8.04710472       0.12904003       0.09509666       0.71520396 
Hf       8.85298462       1.75257380       7.86852997      -0.14256684      -0.81615078      -0.25581944 
O       0.07729732       9.17415330       1.69010230      -0.95737378      -0.29506350       1.04278366 
O       5.42381732       7.25476103       3.68629897       0.15624063       0.94556480      -0.83933125 
O      10.87073055       5.39663176       4.42573714      -0.06041538       1.00697333      -1.52506312 
O      10.55523533       1.91512666       4.18827433       0.26121182       1.31291758      -0.04209197 
O       1.76121370       0.21472960       3.70520765      -0.72351072      -0.32732376      -0.35431572 
O       2.02557541      10.81525484       1.06550899      -1.68072098      -0.20828056       0.34242878 
O       1.82080711       3.89520936       0.83427000      -0.31544354      -1.97813830      -0.03807862 
O       0.36671551       1.75108269       9.84299002      -0.53485841       0.70244759      -0.44649141 
O       1.80197703      10.91208769       9.22817784       1.13708221       1.47265039      -2.49526442 
O       1.70620757      10.86804282       6.52439205      -0.99403901       1.41660028       1.19703076 
O      10.72556793       2.00219213       6.92047334       1.53309256      -0.20338772       0.28042796 
O       1.60961619       3.57483324       3.41409783      -0.18026905      -3.33888015       1.55197000 
O       1.41907787       6.34795220       1.06679563      -1.18055557       2.83182296      -3.01044361 
O       1.67765832       6.78454825       9.10461295       1.37002786       1.14229237      -0.31191473 
O      10.76329283       1.80261982       1.63601387       3.49026424      -1.07188209      -0.06422159 
O       3.87734034       5.33710880       6.88839013      -2.40929392      -0.56564751      -0.80269306 
O       3.55767110       2.29050858       6.96257077      -2.23863302      -2.20762017      -0.21104868 
O       5.51617848       3.59956597       9.11636958       1.35575337      -0.50208690      -1.57422176 
O      10.24492821       4.59458518       1.51067798       0.13119411       3.62184396       2.96071738 
O       1.91619531       6.92405527       6.03591510      -1.65282566      -0.84219748       1.72005170 
O      10.81295573       8.66927551       7.59283848       1.17078726      -0.75235619      -1.78002509 
O       3.81843990       1.49646722       4.33756810      -0.23758219       2.03547424       0.79057425 
O       5.43012392      10.79656971       3.27389101       1.17709110      -0.62773565      -0.22381916 
O       5.28146075      10.58827632       0.64072207       1.44492669      -1.18003871       0.59217424 
O       3.64828172       1.45522194       1.38337158       0.72532114       3.39344679       0.94317630 
O       3.88907466       1.85234067       9.43114072      -0.53112665       0.55705010      -0.64560190 
O       4.72840856      10.75887340       8.28381138       0.46472978       1.56046014       1.68846225 
O       0.59536887       9.00580395      10.00316661      -0.95425824      -3.78769753      -0.24639735 
O       3.63211844       5.16409526       3.94875247      -0.00144686       2.73027896       2.96950442 
O       5.16389893       3.57059294       3.46330192       1.40392310       1.72640697       1.31305921 
O       5.74444981       3.62146307       1.04560066      -1.24041458      -0.48590383      -0.03848800 
O       8.95946829       6.58965996       6.06068673       0.21893131       0.54492245       0.35160513 
O       3.89512270       5.33768760       9.54700404      -1.29700047       2.47581837       0.41125034 
O       5.49926001       3.47369731       6.11822714       0.80027618      -0.67310563      -0.34329036 
O      10.52884747       5.31757556       9.40945543      -0.56696931      -1.07053245      -0.33290840 
O       9.08598588      10.71238315       6.00606802      -1.33475067      -0.22800929       2.23926530 
O       1.86529077       3.69197644       6.08729622      -1.31420143       0.02206221       0.13657616 
O       7.02619576       1.32320334       1.70696851       2.67792059      -0.22821663      -0.97437399 
O       9.16324562      10.77816319       0.86951215      -4.01498692       0.25954936       1.43695319 
O       7.50612728       9.14749615       4.10144571      -1.26133256      -3.79901303      -2.61379248 
O       7.54358289       1.50173541       4.22838563      -0.67969655       2.88852075      -1.05905711 
O       3.40086587       8.93762214       7.10168982      -1.52975147       0.09571607      -0.82111969 
O       8.96348333       7.19561003       8.68743745       0.77754247       1.96611796       1.45609227 
O       7.35011253       1.55005674       9.67794620      -0.58183206       0.51153943      -1.48512539 
O       7.32659405       9.13899177       9.40676566       0.60152590       1.85514446       1.13493019 
O       5.82574903       7.33690058       8.71643677      -0.36341477      -3.47285164       2.89896994 
O       9.28012346       7.60601927       3.75389824       0.31969782      -2.69019241      -1.23234437 
O       5.17975916       7.36721791       6.32682871      -0.04935910       0.79227328      -2.54587880 
O       7.37914330       9.09011037       1.39105082      -1.46518769      -0.59554221       0.21249863 
O       9.18207098       7.13307066       0.98426219       0.51731599       0.90199269      -0.54714357 
O       7.39284421       5.70832426       9.59396063      -0.33338935      -5.21747303      -0.55924089 
O       3.58803544       9.02196986       9.84241552      -1.40420765      -2.55276357      -1.81330053 
O       9.72037323       0.00764137       8.87200696      -1.88770772      -1.01433640      -0.89688280 
O       6.76117209       5.67426984       6.67873736       3.17651645      -1.38198814       0.99267746 
O       5.33093093      10.67189843       5.86101299      -2.54289829      -0.46796792       1.84817630 
O       0.03937126       5.23680936       6.92999193      -0.65230514      -0.01895810       0.84928104 
O       0.23954034       9.13796826       4.73215431       0.14228811      -1.08569503      -0.01268619 
O       1.83900251       7.21777128       3.44455183      -0.02028993       0.19305272       0.29017233 
O       3.25913807       9.00697603       4.13840328       1.57123249       1.50920714       2.79638018 
O       3.53955799       5.38204659       1.62823663       4.11106885       1.38632973      -2.47539858 
O       5.46314443       7.39182114       0.80380505       0.94251632      -1.76818550       0.64730815 
O       9.36130490      10.83379458       3.42781381       0.06138599      -0.69756545      -1.44271282 
O       8.72769773       3.63029678       8.77110809      -0.28591422      -1.68286432       0.74242054 
O       7.38171642       5.44789401       1.68412774      -2.34915092       0.09870184      -2.56561316 
O       9.01680159       2.81663663       0.58437126      -2.11975333       0.57084661       0.11117960 
O       8.83816795       3.77153694       3.52756825       0.06153790      -1.28343018      -0.88712072 
O       7.05152066       5.39289752       4.12628048       0.03097250       0.42281179      -0.18781131 
O       3.58475992       8.63792711       1.62040774      -0.23428790      -0.88712392       0.47734501 
O       8.71124148       3.55282899       6.34360669       2.02731165       0.62811901       0.04163259 
O       7.11962688       1.41957966       6.83453915       0.24550440       0.04215721       1.81417455 
O       1.86198305       3.47862356       8.94180239       1.31139999       1.88638616      -1.56447032 
O       7.32044861       8.77699512       6.76789341      -0.62237679       0.40888919      -0.30141102 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010328712643264655 -0.004153858559412079 0.0035439149443866357 -0.004153858559412079 0.004992202592499595 0.0037064399098738865 0.0035439149443866357 0.0037064399098738865 0.00022693480561366086" pbc="T T T" energy=-1063.94218056 free_energy=-1063.94218119 config_type=crystal 
Hf       1.57337757       1.61860120       2.42339744       0.00031733      -1.73366598       1.16483425 
Hf       3.52777185       7.46587110       0.19690265       0.32923947      -0.78122739      -4.23718277 
Hf       5.69178837       5.11547779       2.64221156      -1.40364188       0.00677834       1.58824235 
Hf       9.01437045       5.50114225       7.83597186       0.88448074      -2.05781690      -1.09207023 
Hf      10.77175821       7.18597839       5.17762707      -1.65425026      -1.67163520      -0.88049723 
Hf      10.72703297       0.03850497      10.28868025       1.97503365      -0.30761891       2.84321522 
Hf       6.93462748       3.52292426       5.67957596       1.79110518      -0.41169281      -1.84109615 
Hf       7.12220559       7.23198417       5.17370965       1.47347128      -1.12230948      -2.11652439 
Hf       1.84953057       5.44426308       2.33347610      -5.26572334      -2.18341018       3.23791175 
Hf       0.08710206       3.48663832       4.94420902      -2.52422050       1.06478239      -0.57589522 
Hf      10.77496579       3.32393229      10.52008963      -1.52286920       2.58475379       0.44078789 
Hf       1.77898401       5.47587979       7.79880937      -2.48166655       3.37218397       1.46995251 
Hf       8.96104332       9.32961072       8.09349202       2.37631981      -1.75129312       1.40462329 
Hf       1.62727244       1.92695487       7.78752775       1.33984637      -3.27752752      -0.65195529 
Hf       7.33886674       7.00247470      10.52858688      -1.79897554       5.28072929       0.54275361 
Hf       9.12444604       9.03843213       2.37366339      -2.78358543       1.22830250       1.23140176 
Hf       5.61327012       9.18842568       2.45945770       1.38800524      -2.23887681      -0.30463711 
Hf       5.61413279       9.15337985       7.67152826      -1.06195066      -1.52486220       2.68963558 
Hf       0.16691510      10.73543578       5.04618748      -1.35669442       0.72304141       1.87846476 
Hf       3.33271835       3.48324875       5.48092399       1.82758081      -1.77035312       0.15192291 
Hf      10.88860176       7.07326854      10.57177357       1.64194408       0.45151458      -1.18904281 
Hf       1.80709524       9.12250803       7.73436032      -0.88515000      -0.47733015       1.93368434 
Hf       7.12138696       3.65006984      10.36659529       3.41298180      -3.59861630      -0.57534308 
Hf       8.99302389       5.40880026       2.52877940       5.10157833      -0.94030412       2.73593658 
Hf       3.69542703       7.10736317       5.05073095      -1.09288474      -5.04993015       1.13393423 
Hf       3.50073507      10.81365932       0.01807206      -2.20476120       0.62711988       0.28812569 
Hf       7.35178737      10.71877576       5.23416804       0.78275197       3.03314708      -3.36435109 
Hf       5.25102937       1.55163758       2.77053983       2.68901122      -0.06177065       2.00244198 
Hf       5.18520627       1.57468879       8.23494126      -0.68487350       3.09790665      -0.94330803 
Hf       1.87611070       8.82386971       2.65014037      -2.16798706       2.05097564      -1.41551320 
Hf       3.66702535      10.63602750       5.24730006      -2.40274856       0.95456776       1.03938546 
Hf       3.56126851       3.97676319      10.43660692      -0.17679083      -1.70048145      -1.34876869 
Hf       6.96002119       0.00284483      10.53181480       3.21462097      -0.63157929       1.72243217 
Hf       9.02793431       1.66033250       2.71899726      -1.64836377       0.60998039      -0.70336336 
Hf       5.27716436       5.56128258       7.88366386      -0.49609228      -0.18212996       1.24123839 
Hf       9.06111871       1.74649213       7.51724981       1.23449309       1.97212987       1.40898011 
O      10.78926151       8.94227668       1.67690225       4.45274381      -0.79706371      -0.63904237 
O       5.28467075       6.93674878       3.47510638      -0.09431229      -0.34700259       0.92915127 
O       0.15326337       5.26389281       3.76012206       0.41423203       1.60900363       1.61532453 
O      10.70534611       1.64417492       3.85451321       3.21180912       0.84869427       0.66589369 
O       1.56065547      10.64308864       3.60340659       2.68851240       3.65928826      -0.71523461 
O       1.58337514      10.75991609       1.05899565       1.89138259      -0.49266394      -2.01163095 
O       1.53850013       3.81902714       0.97763650       1.06448510      -2.20636395      -1.86962749 
O      10.95546995       1.73621255       9.00665151      -1.17505426       1.57730293       2.03603985 
O       1.69790150      10.91576157       8.69991292       0.01315290       0.41510743       2.42134671 
O       1.77569951      10.85957175       6.39815557       2.20805001      -1.74549661      -2.82904125 
O       0.24733137       1.65914728       6.41105035       0.09138174       2.18961945      -0.55908509 
O       1.85454502       3.31260072       3.57247237      -0.61565247      -1.09241526       0.61556407 
O       1.75469696       7.24592962       1.07644539      -1.89507055      -0.78887960       0.39493016 
O       1.55705763       7.23332069       8.99741417      -0.81577415       0.17198011      -0.61126902 
O       0.00868570       1.57206976       1.21865588      -1.00029582       2.05732327      -1.03658837 
O       3.46173993       5.90183220       6.90931608       0.71166768       0.56652249      -0.05047699 
O       3.65842226       1.96495674       7.07440220      -1.95925237       0.28416110       0.39256051 
O       5.16736738       3.54865947       8.70404707       0.05301025       2.58939665       1.72757317 
O      10.54723011       5.23558984       1.26487396       1.23990796       1.26860242      -0.08066849 
O       1.32242853       7.44780411       6.37261631       2.29888662      -0.70404050       0.13695272 
O      10.54824858       9.27978897       6.84248614       0.68938946       0.25228748      -0.16389546 
O       3.72067984       1.64617077       4.71476718       0.44841211      -0.97982622      -2.10982122 
O       5.63739589      10.75807679       3.88013526      -1.14318633       0.77240217      -1.51695150 
O       5.38594506      10.74714018       1.10957300      -0.92678411      -0.04925754      -0.35104600 
O       3.54858781       0.99712112       2.03466568      -1.28118414       1.36776775      -0.89297951 
O       3.47540130       1.96578052       9.88748631       0.27374468      -2.08321281       0.78864040 
O       5.13206978      10.84379730       9.13685411      -0.05378010      -3.06922954       0.79576561 
O      10.59222760       9.10462422       9.85872785      -0.37395425      -1.46244471      -2.10102424 
O       3.22775702       5.04647132       4.47853415       1.53569423       4.23586714      -2.56260818 
O       5.67130032       3.38028426       3.84565904      -0.82244313       0.87859857      -1.84156103 
O       5.45286858       3.83607829       0.67256815      -1.85727536       0.32750580       3.10908045 
O       8.83378971       7.31483201       6.08231217       0.77866163      -0.59812483       0.89345590 
O       3.76978540       5.75789775       9.56026659      -0.83601727      -1.55426763      -0.54478967 
O       5.16950566       4.20576671       6.32139070      -0.75422564      -1.60494710      -1.99057673 
O      10.90566529       5.33082827       9.46894509      -1.25949967      -0.72556288      -1.55812489 
O       9.25748639       0.52149256       6.05310411      -2.80078416      -2.77212008       0.39287032 
O       1.63625274       3.96286288       6.46786778       0.00773266      -2.18450871      -4.10730279 
O       7.01145139       1.54631494       1.80094460      -0.46288117       0.30628151      -0.01010211 
O       8.95184291       0.07500719       1.01762333       0.09902163      -0.20146803       0.12486015 
O       7.29099570       8.90751735       3.89318608      -0.81881953       0.23843296       2.19451248 
O       7.57404122       1.74541099       4.40284429      -0.67691439      -1.02862067       0.62855330 
O       3.65220090       9.21576934       7.03782856      -0.21180200      -0.77886970      -1.05938632 
O       8.77790557       7.18598233       8.88709195       0.58639799       0.69242486      -0.93972611 
O       6.75801128       1.76058581       9.66095915       0.29648235       0.05232287       1.66847779 
O       7.25955122       9.28010976       9.27587983      -1.26665619       0.07502360       0.13588334 
O       5.38486414       7.37997530       8.76482338       1.41958389       1.47054665      -0.21143769 
O       9.22415484       7.29776421       3.46531356       0.23413348      -1.18206189       0.15939548 
O       5.50245828       7.44902165       6.36771209       0.35627613      -0.10067386      -2.26592914 
O       7.30844576       9.06300643       1.34078043      -0.41649704      -0.09543441      -0.08292720 
O       9.11667122       7.24084253       0.76645017      -1.88503018       0.02445445       0.93829346 
O       7.07574087       5.42202174       9.52868050      -0.32541744      -1.24438891      -1.19325936 
O       3.20485997       8.97408611       9.58300202       0.40179564       1.73798342       1.42243099 
O       9.11544273       0.11591853       9.17171000      -2.40374045       0.22245002      -3.40806026 
O       7.13495093       5.27219658       6.93038744       2.15529334       0.44484516       0.24408057 
O       5.27168559      10.78103027       6.29700150       3.40926805       0.47173794       1.19434922 
O      10.51084578       5.27763601       6.31733658      -0.20300829       1.55698894       1.93529858 
O       0.57309740       8.80124404       4.17059469      -2.22363293      -1.41385780       2.42818413 
O       2.16172014       7.03528442       3.44672790       1.24937721       0.50006518       1.87299295 
O       3.74172774       8.78781713       4.29664570      -0.28661421       4.80142274      -1.13210161 
O       3.46380656       5.21125021       1.42501462       4.55745607       0.68183698       0.53603664 
O       5.34045761       7.55050828       0.73492701       4.16744857      -1.51587933       0.81708389 
O       9.48187765      10.69090654       3.78912828      -3.04307673      -2.38350100      -2.16060283 
O       8.79767162       3.40754564       8.95634584       0.48610300       1.72839952      -0.49879769 
O       7.30557792       5.63344537       1.63407334      -2.28769702      -0.14321204      -2.38002373 
O       8.93594576       3.30390714       0.94571846      -0.78107823      -0.00690989      -0.59677084 
O       9.29387203       3.62965827       3.54916277      -0.38232796      -0.23144809      -0.73755570 
O       7.33463827       5.38110163       4.21595979      -1.01337543      -0.13478862       0.10800115 
O       3.79735081       8.90535661       1.71172456      -3.30967874       1.28643766       0.10449756 
O       9.12111618       3.26337147       6.24701735      -1.58833791       0.72490019      -0.18541010 
O       6.93316606       1.86071642       7.30760693       1.47637590       0.47239165      -3.24441221 
O       1.76378365       3.68761157       8.59782393       1.24455757       0.81324787       4.93361861 
O       7.47739090       9.45057526       6.69248076      -0.80782764      -1.18206803       1.03674005 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02718172070083923 -0.005971263358731942 -0.004981515106627126 -0.005971263358731942 -0.024499950511323802 -0.00718176335281599 -0.004981515106627126 -0.00718176335281599 0.0077376892653756545" pbc="T T T" energy=-1059.17047732 free_energy=-1059.17048046 config_type=crystal 
Hf       1.60498892       1.50696044       2.77588463       2.94063978      -0.16244253       1.55109195 
Hf       3.53481875       7.26905533       0.01390996       0.52205009       1.38939119      -0.60246268 
Hf       5.30734058       5.25797175       2.60302233      -0.53683360       3.18335906       0.83361859 
Hf       9.26616771       5.68985946       7.72841106      -2.28424352      -0.14334535      -0.10573730 
Hf       0.29049615       6.96463870       5.23087634      -0.77921403       1.00053569       0.59401832 
Hf       0.01245686      10.81528979      10.61061087      -1.05960406       0.43346861      -1.17440316 
Hf       7.43539885       3.26143127       5.03021496      -0.22639112       4.89605502       2.26892512 
Hf       7.26666374       7.26423830       5.45352062      -1.19476610      -1.10708913      -2.87839951 
Hf       1.61396035       5.44163649       2.59470365       0.11948720       0.08221029      -1.87790303 
Hf       0.01604890       3.68998222       5.38964044      -2.50311774      -0.11379458      -2.50187162 
Hf      10.75563152       3.50397060      10.60874091       4.29366855       1.94417862       0.47743474 
Hf       2.10188910       5.27892291       7.69935360      -1.83698402       3.64781150       1.21574022 
Hf       9.01385037       9.22048666       7.81102018       2.85493728      -1.38993794       2.69243651 
Hf       1.83540587       1.77013857       7.62579423      -2.16036346      -1.14187371       2.46698792 
Hf       7.30122390       7.19949459       0.02576385      -2.17588720       0.46647322      -2.77102481 
Hf       8.94476315       9.06416196       2.83443787      -0.12284589      -3.97759768      -1.43914843 
Hf       5.47039358       8.80125697       2.52154297      -2.93149822       1.68431932       2.10265042 
Hf       5.40272560       9.30284346       7.91040908      -2.00854723       0.63666635       0.87553427 
Hf      10.84743097      10.87756819       5.38309988      -0.24274201       0.08956149      -1.14820940 
Hf       3.52454564       3.62058604       5.19364838       2.38082822      -1.28397532      -4.17855518 
Hf      10.91484313       7.18843911      10.61641367      -2.75328621      -0.34471251      -2.67870718 
Hf       1.80334062       9.29747689       8.11965923       1.30992325      -1.21963051      -3.81436954 
Hf       7.23847560       3.74947933      10.21007242       0.50552108      -1.34965918      -0.31766438 
Hf       8.68986556       5.39022009       2.43535942       1.87465485       1.09062178       0.76655714 
Hf       3.58458967       7.01069214       5.25628242      -0.26327784       3.97506859       0.47941905 
Hf       3.38989695       0.08890235      10.41483564       1.92479893       0.43687513       2.28205220 
Hf       7.00729074      10.84323329       5.34067211       0.34576803       1.37918391      -2.24468970 
Hf       5.36585449       1.69842235       2.18136033      -1.08692255      -1.87317296       3.20721142 
Hf       5.23425606       1.89005462       7.67373091       2.02174563      -0.88382718       0.61984426 
Hf       1.51804046       8.91507611       2.35718727       2.36075692       0.28415611       2.91383885 
Hf       3.50848940      10.61945151       5.06471659       0.74920998       1.13419354      -0.70605472 
Hf       3.36783036       3.51913918      10.39434389       0.34930391       0.21249685      -0.53725443 
Hf       7.07203993      10.69093240       0.01152758       0.40794264       2.02968284      -1.14011163 
Hf       9.14165770       1.78491734       2.24194585       0.13396213       0.38073823       3.63933854 
Hf       5.41189971       5.66636607       7.93426396       2.51712249      -2.80826015      -2.42983542 
Hf       8.83600272       1.62479047       8.26789956       2.24007512       0.65727299      -0.13762454 
O      10.60456253       9.00855621       1.62478189       0.59792966      -0.93637756      -1.54973888 
O       5.04988893       7.29911717       3.79659090       0.56812679      -0.59243960      -3.15155089 
O      10.85642563       5.41821683       3.99364884      -0.09396043      -0.27844963       0.78581741 
O      10.46824469       1.67135270       4.13816178       1.30615777       0.23034586      -1.67998998 
O       1.57658111      10.66333325       3.74857428      -2.43057074       0.67864057      -0.32934645 
O       1.59632875      10.59480752       1.14631023       1.15818742      -0.31511359      -0.75052167 
O       1.83044686       3.93294007       0.86825399      -0.05781650      -0.77896622      -0.74823424 
O      10.92034523       1.47149160       8.88142149       0.04204120       1.18453136       1.66789417 
O       1.78051883       0.09661790       9.12558811       0.38215427       0.51884409      -0.55831290 
O       1.75374467      10.87506113       6.20595274      -0.20563477       1.02369146       2.33596250 
O       0.28462351       2.00466753       6.37648697       0.47129668      -1.36064997       0.96403187 
O       1.81767205       3.76517555       3.45081210      -0.28113786      -5.08769829       1.40962851 
O       1.56246200       7.02181412       0.92395070       1.38210090       1.34868164       1.39398886 
O       2.25400231       7.57006693       8.82336950       2.28633185      -4.21993941       1.95504007 
O       0.27143775       1.62104439       1.29881097      -1.16121650       2.72468703      -1.19424732 
O       3.83744166       5.32507604       6.57989106       1.60407451       0.32490187       0.79895578 
O       3.48867865       2.55918246       6.88377151       0.50873633      -1.54243825       0.11715967 
O       6.11183791       3.49509964       8.52729775      -0.23667617       2.06849440       1.35323565 
O      10.66783441       5.09440743       1.46611994      -1.33439210       0.44149345      -0.24301737 
O       1.93329554       7.07692357       6.49844592      -1.16956593      -0.56970878      -2.05540467 
O       0.02437042       9.02656908       7.02514444      -0.35008369       0.52661762      -0.02545072 
O       3.19745875       1.63986231       4.43348196      -0.93762716       1.25449608       0.06654232 
O       5.39390142       0.14425897       3.75346022       1.05377629       0.49139123       0.72684017 
O       5.41462885      10.78479179       1.00758658      -1.22101935       0.53048571       0.51596984 
O       3.42352617       1.14935112       1.69576448      -1.37122285       1.77645249      -0.53308338 
O       3.46646120       1.79847528       9.22301937       1.43261722      -0.69931519       1.27455550 
O       5.41318715       0.09504965       9.22680159       1.57099661       1.34827419      -2.48038098 
O       0.69703858       8.98095761       9.69317235      -4.22704153       0.22989499       3.23351717 
O       3.23751925       5.57640088       4.15405990       1.45632726      -5.36520885      -1.96479012 
O       5.08583064       3.48224266       3.34118374      -1.18046365      -2.26702832      -0.17978601 
O       5.12485284       3.03259834       0.66664801       1.16178722       1.73978919      -1.26971973 
O       9.18155452       7.13939271       5.94174907       2.17988307       0.14197397       2.36115315 
O       3.91153917       4.97374846       9.13161518       0.67723878       1.96404965       1.16183119 
O       5.73264866       3.05918976       6.07026038      -1.40292808       0.75381976      -1.11542082 
O       0.34921406       5.59208833       9.47123862      -0.78224216      -0.53898742      -0.50455337 
O       9.11487521      10.71690886       6.59061253       0.97026535       2.37473370      -2.49289288 
O       1.81577217       4.14746414       6.01732700       0.00514163      -0.58029321       0.71642432 
O       7.27772667       1.70896761       1.75627824      -1.04694884      -0.52302088      -1.04651218 
O       9.35678478       0.12072055       1.31654387      -1.01355070      -1.82819692      -1.94844110 
O       6.95848165       9.10083476       4.27996636       0.10309390      -1.01459244       0.12445589 
O       7.51321494       1.59822502       4.30791064       0.32387515      -2.99503905      -0.44737463 
O       3.53244995       9.08589615       6.59952038       0.56157574       0.93618194       0.95700658 
O       9.11137104       7.35929563       8.88500899       1.81388452       1.61761067      -0.23225364 
O       7.44724426       1.66699495       9.64472750       0.09457449       1.00099454       1.80040538 
O       6.97265828       9.07485042       9.41082583       0.54825986      -1.13221621       1.22697314 
O       5.28374661       7.07067690       9.14234537      -0.24988417       3.04044826       1.08570975 
O       8.30377842       6.90038056       3.64376044       0.79913837       1.60576139      -1.65871175 
O       5.29208764       7.50103427       5.99901408       2.75960794      -0.65913533       4.91162313 
O       7.27064559       9.30760779       1.56284129       1.42601349      -1.38699843      -0.26008262 
O       8.95168537       7.09362687       0.93738288       1.57000561      -0.25289725       0.76997109 
O       7.62755241       5.67154892       9.20953616      -1.99516573      -2.45169106       2.79032451 
O       3.83032672       9.52562540       9.37934029      -0.75897356      -4.04225473      -1.51051671 
O       9.12055140      10.79381910       9.22165408      -0.20799849      -2.41483289       0.37260598 
O       7.36661281       5.69170390       6.80348366      -1.32135257       0.05424208       0.50652006 
O       5.21291487       0.14285649       6.41178184      -0.12664660      -1.48513357       0.57454163 
O      10.95542360       5.34062359       6.72980896       0.44811553       0.28449260       0.74591542 
O      10.89103223       8.52112925       4.13347355      -1.68155500       3.05769550      -0.54968610 
O       1.76079047       7.16394456       3.58976565       0.18682940       1.91268622       0.18002415 
O       3.58111179       9.49829313       3.55451989       0.10511496      -2.53103563      -0.04151845 
O       3.58283945       5.95216724       1.48821922       0.09695787      -2.89455026       0.43305155 
O       5.61455668       7.18463168       1.24687098       1.37492819       0.93989036      -1.42089311 
O       8.92654452      10.49745174       3.86971055       1.27010111       3.70793528       3.26213992 
O       9.44774927       3.53146304       9.22900233      -3.09041081       1.41933218      -4.54695826 
O       7.02500922       5.21630389       1.21068275       0.20534383      -1.24464860      -0.46803628 
O       9.04049448       3.12178763       0.71710366      -1.73992006       0.26230747       2.72390893 
O       8.67324038       3.76252442       3.43862818       0.73307667      -1.36047279      -0.25769595 
O       6.57169223       5.21827400       4.12050882       1.08687711      -0.00833389       0.83118828 
O       3.58303698       8.78163685       1.33701968      -0.91040773      -0.67776651      -1.33688090 
O       9.12379197       3.63007635       6.29643327      -0.95911219      -0.26448693      -0.18248978 
O       7.29202655       1.30517623       7.13815803      -1.17917098      -0.13336582      -1.54809351 
O       2.23667233       3.63421640       8.67152244      -4.47666181      -2.26902338      -0.05678218 
O       7.31340302       8.95207178       6.97288802      -2.83144939      -0.00647109      -2.02373347 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006508351491730868 0.00237756564447804 0.006926071886168919 0.00237756564447804 -0.013750815287143156 -0.018411794640512586 0.006926071886168919 -0.018411794640512586 -0.015247735713308445" pbc="T T T" energy=-1065.57530397 free_energy=-1065.57535858 config_type=crystal 
Hf       1.93380543       1.99525304       2.56450007       0.39266594      -0.57600170      -1.16949753 
Hf       3.80061142       7.10933492       0.26697263      -2.65877833      -4.03025334      -2.48511368 
Hf       5.47386389       5.36459532       2.43962718       1.04839751      -2.33045308      -0.77717498 
Hf       8.95523095       5.15653639       7.92474580       1.92188045       0.37862852      -2.24049654 
Hf      10.81738885       7.36554449       5.07708598       1.64035936       1.42032527       1.02356139 
Hf      10.83974906      10.63633328      10.59564726      -2.63988953       1.92485619      -1.86437475 
Hf       7.08738786       3.78925870       5.03402333      -0.18767099      -1.59501037       0.45184480 
Hf       7.26912742       7.12811329       5.17400641      -0.59437197       0.85131552      -0.36303868 
Hf       1.59119893       5.61041049       2.60448647       0.70223976      -5.78258608      -3.55987135 
Hf      10.63162516       3.71037671       5.13020281      -0.01129801      -0.07191588       1.42863946 
Hf       0.08017119       3.47443399      10.42761138      -1.67339726      -0.06282645      -1.51343882 
Hf       1.99621793       5.40691605       8.04532117      -1.14520497      -2.34775756      -0.49463491 
Hf       9.07048379       9.02456073       7.84999140       0.73708795       0.42886669      -0.04574351 
Hf       1.74616049       1.84683660       7.58033176      -1.80784273      -0.63316533       2.30126142 
Hf       7.27157992       6.89980986      10.24623494       2.61430518       2.93150138       1.24254417 
Hf       8.86302153       9.26145695       2.68797004       0.15057676       0.85519671      -2.21249023 
Hf       5.24588651       8.94967308       2.65642200       1.41173980      -1.07525887      -1.62323201 
Hf       5.31580376       9.03579370       7.90076390       1.32974950       0.74495495      -2.04374682 
Hf      10.78540741       0.23435432       5.12647076       1.37433593      -0.10110025       2.40588878 
Hf       3.37125980       3.80803543       5.28419417       2.95067860      -0.15148185      -1.59788204 
Hf      10.77280429       7.08207793      10.44478986      -0.69347249      -0.92044677      -0.96670008 
Hf       1.79618712       8.78358899       7.90175750      -1.84256560       1.07568744      -1.40189226 
Hf       7.29526745       3.42476036      10.48850311      -0.47022036       1.00893707      -1.13143792 
Hf       8.97428573       5.46786844       2.64120861       1.59540690       0.50064572      -2.98751764 
Hf       3.57463647       7.58383271       5.37292102      -0.85976570      -4.12662550      -0.62626545 
Hf       3.54730936      10.42739677      10.34070931      -1.12503693       1.55252486       0.24292449 
Hf       7.09732430      10.85118943       5.35247465      -0.86167336       1.08756716       2.28592308 
Hf       5.65797684       1.41271627       2.70849815      -0.95354126       3.39021561      -1.96812531 
Hf       5.17140445       1.77838055       8.14430437       2.46740152      -1.03395914      -0.54221150 
Hf       1.47804526       8.89271853       2.41918453      -0.35612813       1.53634372       1.26987195 
Hf       3.47599106       0.05901931       5.22935289       0.23661542      -1.15414011      -0.39383602 
Hf       3.63783966       3.41840369      10.47182919       0.64210850       0.52506165       2.50785168 
Hf       7.33330898      10.60771062      10.61106643      -1.68866224       3.39231056      -0.67384640 
Hf       9.24861017       1.77880422       2.38896437       1.15970903      -0.08576045      -1.89157965 
Hf       5.59016829       5.43213709       7.87602586      -1.17587974      -1.59013107      -1.72858205 
Hf       9.05827432       1.65556872       7.96458372      -0.72437823      -0.11703465      -0.39232077 
O      10.46490650       8.79687073       1.72689384       5.06044685       0.14753443      -1.22431064 
O       5.61461168       7.12284214       3.58354450       1.21411776       1.85423362      -0.04553499 
O      10.88345244       5.49426057       4.10472072      -1.97076555      -0.85150541      -0.23195961 
O      10.88982773       2.03084514       3.92809087       0.48481602      -0.79015452      -0.54214782 
O       1.95627257       0.00623714       3.20201920       0.82240858       0.32447154       0.05105614 
O       1.55756270      10.02265946       0.64459103       2.32464270       0.15279577       0.22252118 
O       1.66737830       3.35728126       0.84944151       3.23463901      -0.81167275       2.42645089 
O      10.89133166       1.73919225       9.26827319       0.55011474      -0.71002088      -1.25976510 
O       1.90749778      10.69685894       8.64313865       0.74111072       0.60152014       1.76947025 
O       1.76584283       0.31065804       6.18639081       1.01595749      -0.07168443      -1.86833523 
O      10.95178862       1.89955391       6.57048418      -2.21183569       0.32712258       0.52138097 
O       1.95315822       3.66703291       3.59016807       0.27550069       1.46246084      -0.26236587 
O       1.57485806       7.19580000       1.01024819       0.00318881      -0.34584826      -0.21911313 
O       1.09685030       6.97579673       8.58006627      -0.78254264       1.53326065       2.92920417 
O       0.04606845       1.35823143       1.19549316       0.65956930       0.78495176       2.41844460 
O       3.68693065       5.83879960       7.35713594       0.16794646      -0.15877735      -1.47588748 
O       3.57899915       2.26246111       7.00851207       0.60486261       0.30647367      -0.84012643 
O       5.09539117       3.73363761       8.83503111       0.59049047      -1.28048509      -0.25597291 
O      10.79421341       5.06719634       1.32555205       0.01299257       1.37414759       2.10205622 
O       1.74776949       7.30966319       6.27603208      -1.23610406      -0.16321473      -1.08666884 
O       0.12376851       9.40421659       6.93645925      -1.94167124      -0.43906092       0.14909500 
O       3.63981163       1.83852757       4.48006557       0.52822187       0.26009951      -1.45508005 
O       5.54317100      10.35520013       3.92818950      -1.64254172       4.74964399       0.63586983 
O       5.23349571       0.00472401       1.15310141      -1.12694274      -0.58916323      -0.22208555 
O       3.94862128       2.26201443       1.72067790      -1.18662628      -0.79049303       0.89027012 
O       3.63776428       1.67623973       9.60533196      -0.57913638      -2.31815810       0.35577229 
O       5.05339485      10.73198124       9.04420568       0.15135444      -1.93493153      -0.05423624 
O      10.29936255       8.87821585       9.54087706       2.69278382       0.78567925       1.61373838 
O       3.52894623       5.70929376       4.52976444      -0.38608367      -1.19866178       0.54600261 
O       5.67724308       3.61819490       3.40558379      -1.21131384       0.24708983      -0.54934443 
O       5.49892443       4.31449110       0.64556124      -1.93665210      -0.90274178      -0.04852459 
O       9.03474729       7.90897524       5.97099413      -0.51865555      -1.06036969       0.08222815 
O       3.38432779       5.24994790       9.88846992      -1.27633932       4.77560350      -0.62233007 
O       5.48187952       4.14120771       6.02937582      -3.19602412      -0.31914129       0.80242063 
O      10.24041291       5.19461013       9.51943880       2.06323346       0.16038915       0.66535124 
O       8.93096209       0.46416442       6.20472020       0.28995391      -1.29658626      -1.28041843 
O       1.64850057       3.53716268       6.05456081      -0.58563279       1.03311988       1.89029169 
O       7.11352296       2.20438303       1.37224216      -0.21155184      -3.08107990       5.83375503 
O       8.96818225      10.77909413       1.06159295       1.46635500       1.19614445      -0.18557713 
O       7.55868168       9.38358776       4.06955074      -1.06831708      -0.73682912       4.79775351 
O       7.14058297       1.92739464       4.26296431      -0.17398847      -4.69410727      -0.32500042 
O       3.45712592       9.12004699       6.71760591       0.32149735       1.04464259       1.31173894 
O       9.09655469       7.16502734       8.53659068      -1.86310674      -1.19998839       0.14416932 
O       6.96704135       1.59472414       9.78067166      -1.03444970      -2.12093292      -0.85212969 
O       7.38361258       9.14885743       9.39146553      -1.52546015      -3.70132668       0.40007029 
O       5.51182238       7.24402032       8.76564904       0.53599201       0.42635446       1.64285858 
O       8.95879723       7.41977253       3.55365054       0.50355395      -2.47532877       0.31966639 
O       5.32834553       7.53150510       6.26836017       3.20821022       0.12669885      -0.66300996 
O       7.07557861       9.56056375       1.72178342      -0.50326636      -1.95785777      -0.14201437 
O       9.05639350       7.23802476       0.69135480      -2.93776963      -1.08668629       0.24001360 
O       7.21205104       5.34418550       9.20408625      -0.58204346      -1.08742601      -0.13443179 
O       3.20547865       8.50306061       9.48621488       1.27177613       1.21506785      -0.37022193 
O       8.99345775      10.79423587       8.94241069       0.44281401       2.43893338      -0.01414584 
O       7.22659480       5.50057002       6.68237088       1.60076165       2.95518362      -1.59392477 
O       5.14176124       0.08535239       6.45895281       0.22879911       0.31765865      -0.96457957 
O      10.62101482       5.06122423       6.68663683       1.20577085       1.94422903       1.13955727 
O       0.31659082       9.31727635       4.27218635       0.41234248      -3.05498430       0.47906527 
O       1.42855087       7.05784424       3.61387743       0.13112531       6.70830700       1.85777346 
O       3.58906114       8.78881489       3.87483044      -1.53568525       1.90333098       0.18606582 
O       3.57766657       5.74711716       1.93381985      -0.42602334       0.41165005      -0.51108284 
O       5.66789925       7.11776305       0.73252049       0.86732380       0.32938857       2.06327568 
O       9.79144316      10.88938982       3.49462887      -3.44519285       1.64440777      -1.90640008 
O       8.55761897       3.47466461       8.77239207       0.42791258      -1.39515530      -1.38710965 
O       7.56230965       5.10435921       1.19795622       1.40997945       1.93795541       1.67409379 
O       9.21655642       2.88120340       0.22408494      -0.17711054      -0.42126031       4.10298393 
O       8.98797394       3.58070686       3.37029466       0.77377794       0.05389419      -0.44967606 
O       7.38527022       5.43347394       3.90740056      -0.26905607       1.76626451       1.32622525 
O       3.68612988       8.66751302       1.37620806      -0.49027966       3.16015411       1.13993265 
O       8.81670098       3.68170168       6.04408795       0.59301289      -0.95356846      -0.06974009 
O       7.00505352       1.97905974       7.39346384       0.24997995      -0.85534511      -1.77471020 
O       1.96504318       3.60485202       8.98294353      -1.89664075      -0.86684920      -1.30414844 
O       7.12154352       9.52122382       6.99724799      -0.16580865      -0.52135799      -0.99271266 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003215388224444125 -0.0033679720075465982 0.003780223554239495 -0.0033679720075465982 -0.032613724262128496 -0.0007394536810856953 0.003780223554239495 -0.0007394536810856953 -0.03624514965834658" pbc="T T T" energy=-1062.86554134 free_energy=-1062.86555317 config_type=crystal 
Hf       2.02838606       2.03510362       2.52354356       0.40386419       0.05828141       2.34596115 
Hf       3.74771136       7.15643334       0.19856088      -0.01171352       2.14193643       2.18706742 
Hf       5.57995873       5.35223838       2.41940338      -0.00086770       1.78504828      -1.01968629 
Hf       9.02972145       5.29001136       7.92330397       1.52909772      -0.52512028      -2.75638918 
Hf      10.81806659       7.39920066       5.01439986       1.12675742      -2.35138859       2.20954570 
Hf      10.81928457      10.72923545       0.14125293       3.06340301      -1.18909299      -0.41315710 
Hf       6.96613661       3.72698600       4.92302405       0.76703807      -1.03749895       1.16115471 
Hf       7.29093818       7.23154867       5.06868397       0.22077124       0.99195236       0.24454081 
Hf       1.43180042       5.58287762       2.53454999       5.84413788       0.78728565       3.70432759 
Hf      10.71301783       3.73832448       5.25254303       0.01096264       0.55418150       0.18303141 
Hf       0.01473604       3.24232215      10.40200814       1.84321796       1.17615743       1.88126498 
Hf       2.04763959       5.33303656       7.94381284      -3.35595655       0.81355137       0.25915838 
Hf       9.24239121       9.03579370       7.90512520      -2.46407650       0.19748988      -2.36946746 
Hf       1.57674282       1.96162250       7.47038411      -0.05710642      -1.17062515       3.65105510 
Hf       7.22370592       7.03168044      10.27302002      -1.84692453       0.94340472       1.02285802 
Hf       8.95841717       9.20723034       2.87097655      -0.51041915      -1.10343616      -2.38011569 
Hf       5.32796317       9.03600417       2.69855876      -1.58112978       0.23913094      -1.43176935 
Hf       5.23411100       9.01567323       7.71401578       1.64788418      -0.17488427       1.54814512 
Hf      10.79418196       0.19909462       5.14725205      -2.85647516      -1.31372524      -2.79109213 
Hf       3.51845016       3.57545313       5.28304719      -1.95829587       2.24186112      -1.65949261 
Hf      10.69150540       6.95386797      10.50982159       1.39955318       0.46330802       0.69271346 
Hf       1.72704479       8.60885131       7.97237817      -1.09723007       3.02693352      -0.15737244 
Hf       7.37785093       3.47435938      10.37461093      -1.29708494      -1.44960414       2.76908070 
Hf       9.06837937       5.44337521       2.60038634      -0.04058673      -0.21864022      -0.88757450 
Hf       3.55819009       7.50960691       5.41746036      -1.50059992      -3.28258376      -1.27025513 
Hf       3.57844291      10.43889619      10.27088582      -1.36900897       1.08256012       2.35719258 
Hf       7.02706917      10.83593495       5.39705353      -0.76748763       0.72963987       1.27062173 
Hf       5.60568309       1.26644622       2.65111207      -3.48193452       2.87391620      -0.24728091 
Hf       5.24851037       1.74915191       8.10896029       1.15716842      -3.37174412      -0.50000792 
Hf       1.50460545       8.93425108       2.42894524       3.27335452       3.04750220       0.12416060 
Hf       3.39068600       0.17423765       5.26335070       2.11573969      -2.02101457      -2.17459414 
Hf       3.58357668       3.52571179      10.56557591      -0.00352803      -2.64220902      -1.42298731 
Hf       7.25375648      10.68833320      10.58270869      -0.80941150      -2.65848904       1.29520024 
Hf       9.28415965       1.74209011       2.46213100      -1.15435622      -0.14501674      -0.15695829 
Hf       5.59111489       5.44804334       7.93141762      -0.10808086      -0.19771186      -2.31551905 
Hf       9.06166772       1.62896481       7.90752990      -3.26014602      -1.53692654      -1.94539228 
O      10.69006764       9.08970456       1.70423707      -2.01021786       0.31953870      -0.36009055 
O       5.92330793       7.37038934       3.58012812      -2.06254923      -1.46915980      -1.68071179 
O      10.78076897       5.29526444       4.00619786       0.19731350       1.05254669       1.15492695 
O      10.68961275       1.96913327       4.19040438       0.89625216       0.56150890       0.10638346 
O       1.70625994       0.08465570       3.18782566       0.55120721      -0.36151816       1.45961125 
O       1.84888745      10.09761953       0.62483161      -2.00039228       1.08365571      -0.02256969 
O       1.91474944       3.58591337       0.90868830      -2.34021740       0.88814160       0.31903852 
O      10.85656619       1.89410297       9.01093128       0.08446317      -0.77871273       2.08078670 
O       1.92170420      10.62974369       8.69076444      -0.62471546      -0.78362434      -0.90933066 
O       1.56084030       0.53892443       5.92264716       1.90302971       0.58773951       1.53597616 
O      10.56871493       1.78207656       6.77636951       2.61282584       1.40998374      -3.10226342 
O       1.89214535       3.81796014       3.63267301      -1.56877811      -3.04484245      -1.25462583 
O       1.48893092       7.17097228       1.02152736       0.47234955       0.20339398      -0.12299651 
O       1.25173856       7.03735751       9.10517278       0.87098478      -0.24462316      -2.21630513 
O       0.45696085       1.51573915       1.41829528      -2.95308640       0.23794881      -2.19896317 
O       3.74520298       5.80961511       7.20355359       0.25677887       0.63959873      -1.00901456 
O       3.60767922       2.38498294       7.05070687      -0.97755693      -1.23636691      -0.35509016 
O       5.24299753       3.59285126       8.84176703       0.02507835       1.08088122       0.90124620 
O      10.85776248       5.35826078       1.49830838      -3.69942295      -0.74374816      -2.08869779 
O       1.60154162       7.06757734       6.23076859       1.72052243       1.65048477       1.77438755 
O      10.88485776       9.02210582       6.84892125       2.15559403       1.02344315       1.27362050 
O       3.63372415       1.88580325       4.16616495      -0.78213627       0.06066757       2.26760852 
O       4.95675154      10.84769797       3.94874046       2.79520203      -2.96014747      -1.56033792 
O       5.26631145      10.79414471       1.18605812       1.27169120       0.22649318      -0.81044557 
O       3.83470792       2.16396437       1.90486603       1.62970976       0.26674846      -2.65137667 
O       3.40454468       1.38378947       9.96183978       1.07909056       4.42354499      -0.75490540 
O       5.12848037      10.69534241       8.90816033       1.67536197       1.67160962      -0.96916165 
O      10.78735407       8.95644060       9.96246519      -1.42147599      -0.61931013      -3.17075786 
O       3.06379610       5.38367081       4.57874361       2.40528846       2.87984654       1.15090304 
O       5.64506059       3.71595901       3.44354048      -0.76576881      -1.27541836       0.57425533 
O       5.18826529       4.19189740       0.75759547       1.78239885       0.50773287       0.01582351 
O       9.06852815       7.77330950       5.81870468      -0.02618599       0.19459332       2.28609390 
O       3.32506690       5.78744400       9.59116201      -0.36120148      -4.08008371       0.21266668 
O       5.20901683       4.31299681       5.99763933       3.80135960      -0.99546480      -0.02830733 
O      10.53713601       5.05276390       9.60343096      -1.56805478      -0.73518200      -0.05783412 
O       8.90062318       0.32275609       5.86752283       0.82204234      -0.67749068       1.86031772 
O       1.57453836       3.67690503       6.44064574       0.41523377      -0.47202808      -2.47927792 
O       7.13011670       2.03394908       1.91449644       2.32068213       0.16602501      -3.20044625 
O       9.06141376      10.90671104       1.01818667      -1.72323553       0.59494416      -1.65660544 
O       7.51447586       9.13643125       4.38009813      -0.54178682       2.48610466      -0.92532295 
O       7.26762327       1.46544169       4.14231294      -1.06469750       1.41229667       1.35206040 
O       3.33484524       9.30056987       6.74291324       0.17223482      -1.28209561      -0.16059240 
O       9.12714089       7.24035937       8.49764869      -0.07626961      -2.54260269       2.09197347 
O       6.83747351       1.48722255       9.84213811       0.08438478       1.74085652      -0.22389663 
O       7.15557790       8.78901210       9.57397811       1.12061720       4.46005910      -0.44615346 
O       5.43798365       7.16664138       8.83279115       1.29199387      -0.85655275      -0.59512474 
O       9.25167741       7.21435016       3.52780283      -0.45602047       0.88547256      -1.19920646 
O       5.50546614       7.75537595       6.12002961      -2.08835842      -0.08140964      -0.64323479 
O       7.19635931       9.25628649       1.71719456       1.04695334       1.02031344       0.65703725 
O       8.81722030       6.97399841       0.65441796       2.93645008       0.58992940       1.60823063 
O       7.29755955       5.26151437       9.37274946      -0.13175965      -0.08321781      -1.34207700 
O       3.88330906       8.75891531       9.30903753      -2.91968901      -2.33725908       0.04108383 
O       9.06247737      10.82794693       8.78050912      -0.21810170      -0.02978671       2.20282216 
O       7.25715503       6.13474142       6.62778948      -0.20052368      -3.78012439       4.55672365 
O       5.14283810       0.45971047       6.23131098      -0.44181238      -0.77862463       1.46692867 
O       0.01426219       5.34530367       7.10024980      -2.50407572      -0.55761643      -0.38543073 
O       0.07113424       9.09548747       4.27234196      -0.80822072       4.51433034      -0.61936797 
O       1.53857584       7.42908688       3.65206637      -0.52880953      -4.10931656      -0.56990734 
O       3.48316987       8.86931016       4.07799729       0.58051486       1.19385002       0.43906943 
O       3.62328177       6.05902265       1.96992231       0.57346688      -1.26114509      -0.33155223 
O       5.69266792       7.44408170       0.82803981      -1.05966834      -1.70368624       0.98205194 
O       9.43524979       0.03249517       3.32789813       0.88205436      -1.11955174       2.91313763 
O       8.30049885       3.31330037       8.51868964       1.63340424       2.34549491       2.19745972 
O       7.50480182       5.09822505       1.38589692      -1.69949398      -0.98634539      -0.54346448 
O       9.15130412       2.73257211       0.72467906       0.87714950       2.19615616      -4.30574471 
O       9.09713810       3.50290546       3.14104849      -0.64237720       2.86797580       2.21809472 
O       7.40771008       5.48277298       4.00052208      -0.12045581      -1.41737345      -0.18919536 
O       3.61867291       8.86805438       1.58946884       0.54536308      -0.69112650      -0.67730743 
O       8.81403594       4.10248811       6.02402795       0.64277229      -0.70651538      -0.34106663 
O       7.02003739       1.85271756       7.18727177       0.01278745      -0.50596334      -1.13557448 
O       1.84853160       3.50163850       8.86481229       0.60762977       0.49335678       1.59376471 
O       7.13362591       9.47424011       6.98472150       0.74831608       0.43885066       0.93725936 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.003673961561778895 -0.005240226839540211 -0.00219664531632142 -0.005240226839540211 -0.020876916824125465 -0.0015515782827730553 -0.00219664531632142 -0.0015515782827730553 -0.0035117404641634375" pbc="T T T" energy=-1062.13731763 free_energy=-1062.13732056 config_type=crystal 
Hf       1.96245351       1.64985780       2.46501518       0.30760456       0.74115832      -0.93357347 
Hf       3.61690077       7.24298925      10.37719474      -1.72754603       2.74922635      -0.70945062 
Hf       5.58604018       5.15042152       2.47678478      -0.88039908       0.86674995      -0.79598021 
Hf       9.11564388       5.36097020       7.94790214       0.56455490      -1.66581356       2.94822865 
Hf      10.65989854       7.16903537       4.97614896       2.55139064      -0.57896262       1.28896046 
Hf      10.94542067      10.81237352      10.53514572       1.99981498      -1.45889697      -1.01316401 
Hf       7.16220825       4.04382903       5.42626914      -1.42260242      -5.44217571      -0.18946864 
Hf       6.84926874       7.09190963       5.38154816       2.47972193       3.11096515      -0.94969069 
Hf       1.70341160       5.28317614       2.73535986      -4.72034127      -1.69047948      -7.41509195 
Hf      10.59717720       3.36492077       4.93168955       1.29566562      -1.16881086      -0.52619686 
Hf      10.82116155       3.55381865      10.53832166      -1.24109513       0.82149533       2.32883619 
Hf       1.68434980       5.51103442       8.04309408      -0.64102704       2.31748494      -3.08927914 
Hf       9.04321080       8.84719328       7.85004816      -0.50772265       1.94262242       0.03563217 
Hf       1.98408701       2.16934749       8.15552998      -1.38728785      -0.09829702       0.49276990 
Hf       7.26968825       7.08994576       0.00305159       0.96665077      -0.45490328      -1.87654373 
Hf       8.78956363       8.95158260       2.53898005       2.32348961      -0.30503666      -3.40980224 
Hf       5.21493877       9.02006362       2.54034641      -1.13540884      -0.47295087      -0.18563789 
Hf       5.28502836       9.40644680       7.99119926       1.98374296      -4.30053955       0.07991920 
Hf      10.79138829      10.86709546       5.31762291       2.33493621      -0.26621140      -1.52505155 
Hf       3.41044996       3.81945848       5.42820415      -1.21190952      -2.97362353       1.08380112 
Hf       0.10139493       7.16121892      10.56341918       0.92861976      -0.81870032       1.64002909 
Hf       1.72126320       9.02648406       7.58749975       0.14715393       1.12391238       0.87904309 
Hf       6.98893100       3.08256909      10.18936500       3.89185806       2.26377242       0.50561153 
Hf       8.98545088       5.43907443       2.61893373       2.53125281      -1.37033085      -3.44233495 
Hf       3.50392130       7.17300495       5.14024902      -0.46550979       1.93712064       0.26209013 
Hf       3.75339259       0.12232264      10.35021100      -1.76214348      -4.08374635       2.01157141 
Hf       7.39337919      10.55567357       5.16543476      -3.76885485       0.74677890      -1.11200244 
Hf       5.60479171       1.44362742       2.60129118      -0.42570438       0.91233225       1.18838964 
Hf       5.64978855       1.93403266       7.48071635      -0.48993473      -1.18471332       0.02990002 
Hf       1.62716189       9.03804746       2.71785656       0.10118453       2.64191824      -3.80358387 
Hf       3.62759975      10.93400605       5.18032291      -0.30912313       1.88568220      -0.71475914 
Hf       3.60363952       3.81212870       0.23099262      -1.33512702      -2.76141913      -1.29508560 
Hf       7.53544225      10.83226316      10.47946985      -0.15198781      -1.19408925      -1.45709068 
Hf       9.01259459       1.82340609       2.37393507      -0.78876890       0.23021789      -0.69635264 
Hf       5.33683577       5.45973766       7.97520209       0.00898448       0.55348917       0.90530322 
Hf       9.06379691       1.57415896       7.79095539      -1.81458417       1.11154952       2.53935758 
O      10.85089263       8.99331806       1.41941930       1.37608412       0.60921219       1.84622651 
O       5.21976325       6.95699043       3.47639472      -0.79636092      -0.27401453       0.38845916 
O      10.83598436       5.17759524       3.90842764       0.10997283       1.97598033       2.20595904 
O      10.13972136       1.48496857       4.17439913       0.20278605       0.14873760      -0.73506411 
O       1.57438848      10.86472797       3.52661037       0.27580423       2.47663608       0.77662830 
O       1.82730665      10.80301096       0.97782293      -0.29177340       1.78081041      -0.64967086 
O       1.72243417       3.65311890       1.26085333      -0.37220059      -1.15343730      -1.51031939 
O       0.08485959       1.64681805       9.46718748       1.17628527       1.59705788      -0.49635968 
O       1.71958813      10.53405376       8.84853398       0.22919171       2.59441168       0.81422553 
O       1.89754973      10.74406987       6.09312176      -0.60789991       0.00516735       0.29318370 
O      10.46212105       1.72480538       6.53944591       2.78517915       0.08991051      -0.89735729 
O       1.45970403       3.01389470       3.91368708       0.69239359       0.32605340       0.22079190 
O       1.89663392       6.65140097       0.82145334       0.81280113       0.09149437      -0.96526166 
O       1.94121169       7.37796180       8.76541669       0.29690106      -0.29640367       1.27703036 
O      10.89110816       2.01360171       1.48084440       0.39926369      -1.52900297       0.21277614 
O       3.51923768       5.15015211       7.18314484      -0.29388477       0.21075588      -2.79346071 
O       3.44678061       2.06094247       6.84352417      -0.38523852      -0.18141992       1.06981084 
O       5.65138462       3.47240910       8.73469526      -1.51068913       0.56090108       0.68714797 
O      10.66204471       5.37226288       1.43337486       0.43018496      -0.84692335       0.63756208 
O       1.70302058       7.28073486       6.18249890       1.15616193       0.94485004      -2.46466702 
O      10.78698376       9.83369749       6.99119212      -0.73381121      -1.91790155       1.07562827 
O       3.92815372       1.68979811       4.13994661      -1.62110204      -0.33034845      -0.44897409 
O       5.78828794      10.82171045       3.80054340      -1.96372261      -1.00713774      -2.34845334 
O       5.06533163      10.63875719       1.22888746       1.62001050       1.27529970      -0.09800238 
O       3.97182960       2.00255357       1.52785710      -3.82202287      -1.61626678       0.61002894 
O       3.27306172       1.90442232       9.81134738      -1.67278428       2.47950660      -2.81511991 
O       5.11137707       0.15532858       8.81365056      -0.67155325       2.94272733       1.01568612 
O      10.79144910       8.71116687       9.40344856      -0.86229396       2.83352208      -1.18713696 
O       2.89154839       5.26255661       4.09952877       4.45904319       1.54601933       6.59843524 
O       5.43523008       3.71433654       3.74531022       0.83786000       0.04604654       0.58327271 
O       5.56438017       3.41594100       0.86693068       0.60716971       2.58155701       0.15615868 
O       9.18451614       7.96313228       5.95573482      -0.46264923      -1.13893669       1.18871867 
O       3.63708720       5.34327045       9.48804700       1.89118599       0.65554404       1.60058900 
O       5.23369369       3.57960283       6.23455793       2.19498094       0.95378467      -0.26955332 
O      10.67586746       5.48449351       9.57652344      -0.69023279      -1.31903634      -1.46151022 
O       8.34738977      10.71163836       6.85242202       0.88815799       1.48907407      -0.22763311 
O       1.59294313       3.90235804       6.58119226      -0.49444334      -2.04989619      -0.77017459 
O       7.14232607       1.41606289       1.08929074       0.17215184       0.56341127       0.80303725 
O       9.22598329      10.82859388       1.02299108      -1.31830514      -0.34182560       1.45352604 
O       6.52248237       8.83580956       4.51417233       1.24996447      -0.66105754      -1.41651174 
O       7.30936661       1.65160791       3.81333519       1.22279371       0.40812713      -0.04508050 
O       3.90349505       8.73479908       6.87742589      -3.03776705       0.45628536      -3.09956387 
O       8.82560624       7.11827042       8.71482711      -0.92961901       0.65231752       0.23175776 
O       7.07674488       1.34298199       9.04851883      -0.25826946       1.37753110       0.26882250 
O       7.27223892       9.03256519       9.56796688      -0.25070580       0.35833304      -0.43568296 
O       5.23343469       7.35454489       8.50794128       0.52794222      -1.39993346       1.94674146 
O       9.07739977       7.34978352       3.61063367      -0.18881377      -1.15944046      -0.88760804 
O       5.17451409       6.58011225       6.05095280      -2.36721816      -0.64116229      -0.05711572 
O       6.97453581       8.75875579       1.41154523       2.51813002       1.08531952       2.55075606 
O       9.32590990       7.31375559       0.79538858      -5.47156908       0.38353257       1.16163367 
O       7.28843649       5.22315172       9.42909697      -1.22175670       1.14422318       0.80448609 
O       3.72968655       9.17409721       9.41000091       0.84727605      -0.20155912       1.10096167 
O       9.03887124       0.13748421       9.15280909       2.07556620      -2.46844508       1.52766220 
O       7.09937077       5.45567627       6.79260339       2.04416395       0.19084150       0.50798382 
O       5.22735838       0.41305424       6.20132753       2.73234411      -1.87771039       1.26110479 
O      10.93401744       5.94584180       7.08700107      -1.28565835       1.50094416      -0.26336707 
O       0.13753143       9.05434681       4.30511181       0.24609750      -1.01299521       0.29519894 
O       1.48000364       7.19482043       3.16721698       0.07103912      -0.64695056       2.91327424 
O       3.69880816       9.25253406       4.18331739      -0.86477351      -3.48970351      -1.11267383 
O       3.63573863       4.71429876       1.85607021       1.86960731       3.46543185       2.32014555 
O       5.25321597       7.15474579       0.75976315       1.97242142      -1.44073360       0.14195755 
O       8.92186686      10.30865499       3.99935916       0.30913820      -0.53091891      -0.69476214 
O       8.91129300       3.33067275       9.08279246       1.42779374      -0.10437834      -1.65629497 
O       7.32119537       5.60019424       1.47829769      -0.64047896       0.83355990       0.61395003 
O       8.78036135       3.54513262       1.00205971      -0.01922759      -1.53787079      -1.09710409 
O       9.15993449       3.52174134       3.29161678       0.02086414       1.97501011       3.41939069 
O       7.39759046       5.39717879       4.10757290       0.32602231       2.27728337      -0.52922789 
O       3.45590181       8.85193964       1.39880276      -0.79962838      -1.20525013       2.14923141 
O       9.55575210       4.30280104       6.33079502      -2.94958864      -1.44236168      -2.23012984 
O       7.49571820       2.40610227       6.66346625       0.00520554      -0.58353527      -0.04678239 
O       1.62096211       4.07719411       9.23808991      -0.22218794      -6.20527037       1.86480639 
O       7.05393295       8.61521653       6.91547027      -1.18220946       0.13391962       0.11052918 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006822278741367588 -0.0012180833402908684 -0.004136759077591953 -0.0012180833402908684 -0.025818270490893438 -0.006592814002444843 -0.004136759077591953 -0.006592814002444843 0.009315751475981094" pbc="T T T" energy=-1062.16277349 free_energy=-1062.16278032 config_type=crystal 
Hf       1.72962076       1.80951389       2.74871233      -0.00848164      -0.97921150       0.10374912 
Hf       3.45115939       7.19428315       0.15776752       2.53319028      -1.28265295       1.21557934 
Hf       5.61431357       5.45419634       2.46709506      -1.14734948       0.80517884      -0.15460591 
Hf       8.75739977       5.30976087       7.85527444       0.71329232       1.12559648      -0.06970556 
Hf      10.72832884       7.27738627       5.18868899       0.93950983      -0.03166429       1.28396423 
Hf       0.11635130      10.84403417       9.93777710      -0.70889827       1.49733282       1.39039512 
Hf       7.49409989       3.46933200       5.05573126      -0.61364289      -0.42828209      -1.67739288 
Hf       7.12717436       7.02629283       4.96372695       0.91712852       0.89993045      -1.14320157 
Hf       1.59862283       5.35777674       2.78798702       0.99777780      -0.61812141      -0.94941768 
Hf       0.05770744       3.69833026       5.50384320       0.72128262      -3.76969092      -1.35351212 
Hf      10.80114395       3.63649459      10.35010067       0.34603566       1.62167608       3.06029515 
Hf       1.35199779       5.47693803       8.07991666       1.71142666      -0.02224792      -0.18384213 
Hf       8.92818759       8.92804517       7.59539954       1.75995252       0.84485011      -1.26545726 
Hf       1.82336490       1.94785113       7.87665468      -0.70502698      -4.50881794       1.19150968 
Hf       7.28193969       7.39730889      10.52978286      -0.24652302       1.12458261       1.32579115 
Hf       9.01903223       9.13999688       2.92485963      -1.00368485      -0.39468026      -1.84704546 
Hf       5.16906764       9.24707205       2.36167080       2.02423791      -3.26896609      -1.74531007 
Hf       5.32203148       8.96761309       7.99461999      -1.29432324       2.95679593      -1.54048919 
Hf      10.81883176      10.68686915       5.24762414       1.75563815       2.30546046       0.01731425 
Hf       3.93583103       3.65459807       5.20706674      -0.49724752      -1.03467173       0.71560396 
Hf      10.93426472       7.23889532       0.05978249      -1.94695635      -0.21093773       0.69717520 
Hf       1.94216574       8.78010104       8.05129807       0.32461036      -1.67617863      -3.68559939 
Hf       6.72590089       3.55278933      10.62037818       0.32661218       0.54596815       0.62399098 
Hf       9.21472994       5.02080031       2.61480298      -1.46150035       0.70138236       0.42138857 
Hf       3.53204097       7.13552776       5.37107413      -1.58401669       0.85345044       1.21509677 
Hf       3.56095363       0.07439825      10.30315079       1.72250495      -0.38803519       2.34941336 
Hf       6.97841259      10.72470865       5.55658079       1.94665567       0.07978278      -1.92895810 
Hf       5.63167784       1.71186339       2.70926014      -2.79086865       1.63066022       0.80989207 
Hf       5.85220284       1.83685524       7.93952415      -1.97532106      -1.38420865       1.51412788 
Hf       1.55178790       9.24282430       1.99763998       0.48216986       0.45724219       5.10663610 
Hf       3.43939210      10.68687945       4.77003979      -1.34537702       1.65719782       2.65363323 
Hf       3.44089921       3.62159980       0.35029039       0.77934662      -1.21326061      -1.13067554 
Hf       7.26057560      10.83042956      10.28446851      -0.31818240       0.40504274       4.31359914 
Hf       9.15791147       1.58472887       1.89650760       1.13062357      -0.23338052       2.21637724 
Hf       5.32104391       5.62824609       8.01510569      -2.46565179      -1.07738706      -0.58947503 
Hf       9.10441880       1.83370857       7.99203587       3.14356411      -0.18658112      -0.47766812 
O      10.81599843       8.42775433       1.69859105      -3.17333585       1.36454140      -0.02281787 
O       6.05991414       7.44378118       3.23302995      -0.90835779      -0.95874698       0.97264780 
O      10.77738652       5.10096657       4.10689275      -1.82221948       1.19685360      -0.26786952 
O       0.20692740       1.62155154       4.11645088       1.87562388       2.25306628      -0.21332344 
O       1.86614446      10.78782737       3.46002829      -0.02796903      -1.81633449      -1.19149952 
O       1.50161556      10.78657203       0.89835064      -1.11779425       0.90684195      -3.00359637 
O       1.98160219       3.48926677       1.71679406      -0.18041468       0.56356295       1.26055966 
O      10.80579412       1.89204708       9.56812355      -0.41891774      -1.92462020      -3.69087832 
O       1.90846399      10.58406308       8.48532245      -2.37955067       5.33272811       2.85252086 
O       1.80366919      10.43686057       6.03103437       1.75924319       0.61374456      -1.57230494 
O       0.09286722       1.45424992       6.49763610      -1.16309897       0.68219492       2.69187587 
O       1.99926173       4.13514313       4.42291982       0.17185859      -1.83201282       1.00895653 
O       1.68872859       7.22659360       1.28187409       1.77659163      -1.58099513      -0.12454316 
O       1.99046066       7.19686778       9.48033853      -2.75659839      -0.92575946      -3.22366171 
O       0.09852424       2.12388612       1.30054743      -2.01274897      -0.04588531       1.04819962 
O       3.55033957       5.08607956       7.09930659      -1.39447126       0.10815174      -0.38124191 
O       3.09913413       2.32617923       6.62215738       2.10721228       0.30697646      -1.33081922 
O       4.95534939       2.80805161       9.79152132       3.22469564      -0.35256329      -2.20488821 
O      10.92071609       5.10823051       1.53055984       0.45656250       0.46204767      -0.93531405 
O       1.82647334       7.20644496       6.68976176      -1.15404541      -3.07775503      -0.55451671 
O       0.08075284       8.97843477       6.70337113      -2.18577871      -1.74674632       1.42503819 
O       3.66242460       1.66532328       3.90316926      -0.86646331       2.27386833       1.89276178 
O       5.15486089      10.87183009       3.32208279      -0.23567653      -0.35312492       1.21660084 
O       5.52874797      10.35945665       0.69281183      -1.23232790       0.16947025       0.42787629 
O       3.62383483       1.43020468       1.45673357       0.73869033      -0.08476742      -0.96016081 
O       2.75060021       1.73424956       9.71599335      -0.83287766       0.56612288      -1.27345224 
O       5.32151775       0.24335577       9.10193051      -0.41316843      -0.23124816      -1.58158513 
O      10.66411255       9.01562864       9.62936774       1.49512751      -3.82731597      -0.35535960 
O       4.11837946       5.48214542       4.40925868       0.44146605       1.30006503      -1.14155934 
O       5.58405014       3.57468928       3.92506118       0.13424205      -1.04705949       0.45907706 
O       5.28704459       3.64614760       1.48612488       1.51162851      -1.72149267      -0.04776327 
O       8.79273199       7.89373698       5.61841064       1.47719298      -1.44107856       2.40191081 
O       4.32894239       5.28907485       9.86125564      -0.98090165       0.89558042      -0.77092105 
O       5.66779364       3.37440878       6.81379836      -0.29480708       1.84096222      -1.96447344 
O      10.68621387       5.52721424       9.47815438       0.67564324       1.44670868      -1.28548635 
O       8.98690934      10.37882433       5.96000161      -0.79786556       0.87641742       1.09780613 
O       0.84846704       3.50671442       7.49419052      -1.40109502       4.93236410      -1.36402542 
O       6.97483699       1.45643783       1.27197381       1.72467092       0.68725705      -0.28434764 
O       9.39419580       0.04402921       0.56896070      -0.55189947       1.13152486      -0.25142850 
O       7.39694844       9.60655540       3.96644317      -1.60120706      -1.39879143       0.34025598 
O       6.99888990       1.39161973       4.31622900      -0.21692910       2.00195334      -0.28997234 
O       3.58245566       8.61750096       6.82508997       2.22350092       1.11576138       0.72586467 
O       8.62363501       7.28128529       8.79888060      -0.34386703      -1.65484499      -1.49887375 
O       7.53081717       1.73250449       9.31918461      -0.66424438       1.08884125       0.02579472 
O       6.99125751       9.30499807       9.26636890       1.04244308      -2.54211186      -1.15544188 
O       5.48491718       7.39915750       8.99470771       0.56221227      -2.80710113       0.73138235 
O       8.72023855       7.00213550       3.43768443       2.00722799       0.69059593      -0.70828910 
O       5.38346144       6.85351879       6.31034047      -0.10496667       1.18798674      -0.42372467 
O       7.66570723       9.20052165       1.13194109      -0.13422543      -1.28189852       0.40030489 
O       9.00458707       6.98554593       0.69084418       0.84069761      -1.12477790      -0.20214067 
O       7.00962623       5.00141137       8.80698617      -0.06090175      -0.99238383       1.21954107 
O       3.66683592       9.19642685       9.27379708      -0.03836768      -1.29821213       1.30428028 
O       9.39638732      10.69069816       8.52770814      -0.77393677       2.86778623       0.09144412 
O       7.41919306       5.45156164       6.12884009       1.45150461      -1.64970455       2.58344685 
O       5.09223650       0.05504108       6.25991288       0.25568420       0.11843099       0.67793141 
O      10.67822618       5.76681123       6.84239930      -0.78333330      -0.65882743      -0.56668697 
O      10.66113295       8.95224445       4.17939444       0.53040636       0.46360207      -1.40282403 
O       1.43252779       6.90344364       4.02162777       1.93167649       1.34997238       0.27859079 
O       3.84198314       8.86532305       4.14256081      -0.03873029      -2.06145011      -0.70145011 
O       3.55861978       5.24875578       1.65239741      -0.74036593       3.14376397       1.11260155 
O       5.24091742       7.21281675       0.95589212       1.34842075       1.36873685       0.56931993 
O       9.35339554       0.16590430       3.42076030       0.38971187      -0.47264437      -2.00438953 
O       9.08817127       3.78453064       9.11583749       0.47858161      -1.94140467      -1.55276815 
O       6.89958340       5.40356055       0.87248795       0.27579182       0.89189385       0.06409793 
O       8.54692559       3.56791190       1.09617217       1.71599726      -0.83068574       0.26815619 
O       9.10673282       3.23684601       3.69529642      -0.84572698      -0.31353121      -0.42659111 
O       7.47669870       5.09179914       3.78228830      -2.16441855       0.17133491      -0.65186822 
O       3.35079378       9.15307593       1.24117108       1.86967099      -0.88859786      -0.08403307 
O       9.17716872       3.52086420       6.24669795      -0.79938027      -0.03753840       2.72503960 
O       7.53782880       1.46189052       6.87657908      -0.59957220      -0.39500316      -0.78824965 
O       1.77559378       4.07364338       9.76393651      -0.46100742       0.97004915      -0.70328215 
O       7.05934401       8.90402063       6.86917609      -1.96356874       1.13242150      -1.16881000 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011572325653299161 -0.0019280550345676347 -0.0011819247674794183 -0.0019280550345676347 -0.02964812362964172 -0.012811672516948015 -0.0011819247674794183 -0.012811672516948015 -0.011149830148613787" pbc="T T T" energy=-1059.32952674 free_energy=-1059.32953259 config_type=crystal 
Hf       1.75737176       1.82704425       2.68600389      -0.10013734      -3.91420735       0.81710732 
Hf       3.45412737       7.17303453       0.23256752       3.38716778      -2.32345080      -1.97745961 
Hf       5.58817222       5.54842988       2.45005667      -1.51392494       1.16798558      -0.66762197 
Hf       8.78581777       5.24008159       7.86297558       1.52155713       0.59720344       3.03339000 
Hf      10.71881421       7.29389630       5.21164317       1.93111683      -2.50793246       1.64145979 
Hf       0.05156409      10.91058716       9.93222377      -1.02644764      -0.95708365      -0.08300536 
Hf       7.54792322       3.52588249       5.03773827       0.03525381      -0.31360429      -1.19344028 
Hf       7.11203207       7.06207589       4.95246329      -0.72466175       0.65876300      -0.00480327 
Hf       1.58062595       5.28182175       2.85339034       0.71399616       2.14302107      -1.02283863 
Hf       0.13951458       3.62040560       5.51614265      -2.85821158      -1.65795199      -2.89862169 
Hf      10.80520939       3.55508505      10.44393923      -1.37973410       0.93536178      -0.34239969 
Hf       1.32929827       5.48109759       8.07750568       0.90376657       0.21612571       0.16697957 
Hf       8.85526501       8.94725816       7.62366449       0.15044493       0.52375365       1.47079699 
Hf       1.77809043       1.91644105       7.89708840      -0.35140564      -1.09050730      -1.28309851 
Hf       7.29507561       7.44371456      10.58253628      -2.23854993      -1.61473558      -1.35271127 
Hf       9.02806545       9.11198370       2.92184971       1.53304214      -0.31573185      -3.49961919 
Hf       5.21465775       9.29317600       2.34274522       1.15955660      -4.37117505      -1.68217923 
Hf       5.28666957       8.94325440       8.00608029      -0.00569408       0.25645538      -0.11947773 
Hf      10.79672890      10.73806106       5.22700824       2.21629921       2.76172444       0.17923870 
Hf       3.86512484       3.69173310       5.22827670       2.74907138      -0.79113381       3.05173350 
Hf      10.86699335       7.20736757       0.05446183       0.71910605      -1.91131103       0.01684953 
Hf       1.93421332       8.68493142       8.12472087       0.61939963       1.97102375      -2.29702303 
Hf       6.82782291       3.55047345      10.58926752       2.49290251       0.78661888      -2.99024674 
Hf       9.19772404       5.12459406       2.60911551      -0.98094846      -1.70718620      -1.01969025 
Hf       3.50272983       7.13561793       5.36696304      -2.36991079       2.43671072       1.30696174 
Hf       3.58727553       0.03710589      10.32296664      -0.11190910       0.54492502       0.94848217 
Hf       7.07404872      10.80373088       5.48672084      -1.28461978      -1.80670963      -2.56467562 
Hf       5.70018275       1.75218399       2.66103339      -1.39200919       2.56110366       0.72626521 
Hf       5.83183333       1.86037175       7.88581400      -0.95551254       2.47946431      -0.74046314 
Hf       1.53766584       9.26855896       2.05234617       0.74764321      -1.91371974      -1.50890649 
Hf       3.44948893      10.68547423       4.82234850       0.72826095       0.69638016       1.45794109 
Hf       3.46005019       3.57497096       0.34135852       1.90720483       0.28242127      -2.44224169 
Hf       7.26711195      10.81624778      10.29700892      -1.83487771       0.41236533       1.56030545 
Hf       9.10243872       1.52119590       1.88345710       0.51081808       0.92823483       0.82777688 
Hf       5.30500761       5.63367534       8.03366998      -1.13811540      -2.68427514       0.03347633 
Hf       9.10236871       1.79898013       7.92934337      -0.62203908       0.28934468      -2.47828285 
O      10.68676112       8.56450821       1.55749182       0.03772994       2.09635473       0.88851600 
O       6.13011755       7.50260328       3.07459609      -0.63268896      -1.56202367       2.68449257 
O      10.72805527       5.29484044       4.05189512      -0.58702289      -0.40797313       0.75714864 
O       0.14847341       1.53991675       3.86791787       2.49350852       2.44567826       2.43000710 
O       1.69479427      10.62009507       3.32095165       1.19777799       0.71114864       1.35071480 
O       1.58833624      10.83525743       0.70254618      -1.72293242      -1.51923418      -0.00824696 
O       2.21011279       3.57116035       2.03647580       0.24291946      -0.04702637      -1.24154882 
O      10.66411912       1.85164770       9.02390100       5.34934571      -0.70827333       4.35472212 
O       1.89069796      10.74915488       8.84126619      -1.82980421      -0.96354337      -1.28360634 
O       1.88951778      10.69513720       5.90487696      -1.12134516      -0.36560353       0.54117107 
O      10.94136015       1.57862944       6.62249613      -0.63812264      -0.16948779      -1.40249290 
O       2.09866760       3.93999299       4.50374390      -3.76437623       0.77689019      -0.31201667 
O       1.74633447       7.09364714       1.15955896      -1.86133999       0.13996309       1.79301055 
O       1.90068665       7.09603872       9.29613775       0.02101658      -0.26339231       0.33211658 
O       0.07651353       2.01809936       1.27868188      -0.19978147       0.35194906      -1.67212978 
O       3.65502327       5.11025123       7.12750299      -2.20265625       0.02498605      -0.29317916 
O       3.17682860       2.17234681       6.65363655       0.22168631       0.35338182      -0.31897341 
O       5.08191759       3.04344500       9.38773241       1.46186633      -1.03085411       0.79358199 
O       0.04196510       4.97296718       1.43771319      -0.37211911       0.45614437       0.43813471 
O       1.96422805       6.71005172       6.65892682      -2.12017705       2.36151424      -0.68480314 
O       0.16215077       9.10840339       6.98585944      -0.90372203      -1.60167994      -1.35264520 
O       3.34494623       1.52912278       4.03538531       0.78638503       2.43347445      -0.41747402 
O       5.33147402       0.01148748       3.24139359      -1.10563320      -1.61402724       2.79263550 
O       5.43750892      10.53282362       0.82101500      -0.11756227       0.32202271      -2.28865604 
O       3.45652739       1.33173489       1.32350820       1.19357876       1.54691445       0.68194035 
O       2.77316420       1.84663084       9.56028456       1.35300009       0.10406566       1.26041092 
O       5.55304882       0.39034365       9.00764532      -2.51662312      -3.67360144       1.33901268 
O      10.64863446       8.69140061       9.52012341       1.18841892       3.02032709      -1.07682056 
O       4.25072334       5.67459260       4.53048296       0.55184868      -2.55476055      -2.46239499 
O       5.47267922       3.71532696       3.89713805       0.19016178      -2.91441443      -0.32174000 
O       5.48503561       3.45980850       1.24517056      -3.26570017      -0.84194779       3.50363566 
O       8.75818762       7.68067674       6.08914524       1.96000531      -0.10501741      -3.23865361 
O       4.31882496       5.26824278      10.03420010      -1.55556710      -0.04038998      -1.30735338 
O       5.28741359       3.49608513       6.84046907       2.86985571      -0.12301952      -2.36293937 
O      10.58503444       5.49168251       9.33126436       0.50208355      -0.05454677       0.47065407 
O       8.98044278      10.50779245       6.07511039       1.49538230      -1.02160733      -1.08907031 
O       0.93461166       3.78632425       7.17609144       2.45475308      -2.16867867       2.32721463 
O       7.02790511       1.34648944       1.30152636       1.93850715       0.73286503      -0.06320139 
O       9.19488917       0.04937278       0.42355428       0.84804506       0.54960828       0.77191270 
O       7.45266551       9.29926359       3.88492905      -1.82268932       0.56044252       2.89354039 
O       7.18421973       1.47030813       4.20985939      -1.34364261       2.38644171      -1.12783959 
O       3.66850978       8.48145615       7.01400769      -3.36600547       1.26376748      -0.76793724 
O       8.51751618       7.21509385       8.66378601      -0.62963465      -0.47279116      -0.26317533 
O       7.58704523       1.80369954       9.40650546      -1.48960191      -1.05117799      -0.69264858 
O       6.97366404       9.23272046       9.19770864       1.93426493      -0.92651585       0.91050726 
O       5.34214461       7.23830129       9.11450685       1.09513610       1.43426436      -0.81753021 
O       8.87611844       7.01506556       2.99365243       0.81192656       2.36928758       2.88044403 
O       5.30585637       7.12777552       6.25889271       3.99889668      -0.88460035       0.11567319 
O       7.39704748       8.99486570       1.09903903       1.03696951       1.82361425       1.87519710 
O       9.04490252       6.98833248       0.57498819      -0.11324007      -1.81080570       0.37316384 
O       6.94760749       4.87563770       8.96536167       0.91917770       0.21456311      -0.12367081 
O       3.75107485       9.12770676       9.34950957      -1.39680093       0.57520008       0.13345785 
O       9.39220652      10.78678414       8.50569271      -0.73017639      -0.27444217       0.70302664 
O       7.69353689       5.56796881       6.31888523      -3.24832317      -0.50183338      -2.45710958 
O       5.15339596      10.88813580       6.16066364      -1.05839040       0.87623558      -0.13127042 
O      10.62760639       5.70250641       6.77459287      -0.59691090       1.18873935      -0.97495452 
O      10.82232530       8.93744607       4.14600811      -1.85659336       1.08486339      -0.10121776 
O       1.53506609       6.99421716       3.98309158       1.04963222       0.49516841       0.62073479 
O       3.88851119       8.79658149       4.14075420      -0.17085504       0.30472445      -1.14751714 
O       3.57154699       5.45688593       1.63976304      -0.54766367       0.21187134       1.68005706 
O       5.32389652       7.14129204       0.95465129      -0.00256274       1.71896924       0.23468114 
O       9.42381162       0.30843649       3.29724717      -0.99339591      -4.81939411       0.64593084 
O       9.05072311       3.48025601       9.02502215       1.37242269       2.57623530       0.73896892 
O       6.97407467       5.37699587       1.08403672       2.03406003       0.14565462      -1.12291546 
O       8.76346819       3.44717831       1.29981478      -0.15990769       0.98853257      -1.90742825 
O       9.10667804       3.22846565       3.76810156      -0.98798512       1.56208482       0.80453159 
O       7.27637174       5.26458862       3.70780750       1.11356457      -0.47977995       2.09122031 
O       3.41003944       9.10863620       1.00095461      -0.42969742       0.32550923       3.57445259 
O       9.10283818       3.67287750       6.46631265       0.20958393      -2.35551211      -0.77731599 
O       7.51601365       1.32115402       6.65151181      -0.92748010       3.29811465       2.57378285 
O       1.75016918       4.02685260       9.85144773      -1.40251118       0.53439678      -0.40054851 
O       6.82837291       9.18013385       6.80613081       2.74538806       0.11509085      -1.48069076 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011509972945924042 -0.005586437708428706 -0.00047109081495842037 -0.005586437708428706 -0.013942812652481318 0.004132814362684777 -0.00047109081495842037 0.004132814362684777 0.007202654851022528" pbc="T T T" energy=-1061.31909078 free_energy=-1061.31909486 config_type=crystal 
Hf       1.82399235       1.75538215       2.59284963       1.29476618      -0.93835033       1.71417565 
Hf       3.53638261       7.07253120       0.33201457      -2.02970610      -0.29995418      -1.07960578 
Hf       5.50766118       5.74273783       2.41984597       0.35220991      -3.09120782       1.54789677 
Hf       8.87568064       5.14161793       7.93258724      -1.14298726       1.95513433      -1.59739364 
Hf      10.76423921       7.26071628       5.30247531       2.96509659      -0.00493572      -1.04998615 
Hf      10.84892668       0.03365563       9.93438263       1.57033856      -4.15539576       2.03247743 
Hf       7.61143186       3.64315946       5.00168991      -1.68550247       1.11374423       1.71930960 
Hf       7.08531170       7.14455353       4.94401993       1.25083434      -2.02068920       3.82265322 
Hf       1.56410442       5.22227305       2.94875022       0.21552960       3.90964701      -1.07084258 
Hf       0.18564602       3.42979903       5.47516669      -4.25898957       2.15033245      -0.36494491 
Hf      10.76412900       3.44633974      10.60237903       0.62717464       1.97341435      -0.18734640 
Hf       1.29475258       5.46572720       8.06732777       0.22349668      -1.71912940      -1.76370810 
Hf       8.74141825       8.97724352       7.69277478       2.36902730      -2.26090543      -1.72573207 
Hf       1.71785029       1.80921632       7.90038541       5.00838754      -2.99924566      -2.02549082 
Hf       7.26851859       7.47446334       0.01394791       0.47786109      -2.20373199      -2.22045748 
Hf       9.05436708       9.05174827       2.82937061       0.78225450      -0.95065598      -0.52889335 
Hf       5.33367267       9.25812019       2.27951979      -1.21688428      -0.43568107       3.50377764 
Hf       5.23493216       8.92555673       8.00598803       0.47381274       1.11147964      -2.86610502 
Hf      10.83704063      10.90623029       5.17679631       2.29500488       0.12645287      -1.92945650 
Hf       3.79719633       3.72485342       5.32841357       1.75721068      -2.48406780      -0.36951036 
Hf      10.77665116       7.11991984       0.02943648       1.37768542       1.26103981      -1.10841048 
Hf       1.88472201       8.58694501       8.20076212      -3.40006754       3.92565594      -1.26084591 
Hf       7.07388372       3.55724963      10.48486438       0.25335216       0.45921950       0.68586362 
Hf       9.12974798       5.27760797       2.57015459      -0.06066472      -2.65866105      -0.58332004 
Hf       3.40447434       7.17523472       5.37144232       1.31902989      -0.19221159      -2.29114910 
Hf       3.61918061      10.95173001      10.38499791      -1.47084432       1.23528729      -0.38777753 
Hf       7.21288961      10.90923727       5.27469843      -2.25319082      -1.42744586       0.13776373 
Hf       5.76764651       1.86236190       2.61664626      -3.77686144      -3.49768265      -0.58377751 
Hf       5.73426621       1.92515633       7.76359932      -4.73550346       0.20962787       0.07681220 
Hf       1.51692350       9.24392297       2.11303829      -0.99719680      -2.10630547       3.43466758 
Hf       3.49369256      10.72318226       4.94296479      -1.30828424       1.33275592      -0.61935024 
Hf       3.52649274       3.47980374       0.25909601      -1.62682341      -0.30720904      -1.14240819 
Hf       7.22042592      10.80883868      10.36121095      -0.61956091       0.97576115      -0.97884469 
Hf       9.04954502       1.42992858       1.91642496       1.93131002       2.70746797       2.30196837 
Hf       5.24159406       5.54581600       8.05141574       1.78938738      -1.89242951      -0.19677075 
Hf       9.10513291       1.75892456       7.76612944       0.05036092       0.16187102       0.67344593 
O      10.51323013       9.24996071       1.33372107      -0.86221781      -2.29301917       0.84824182 
O       5.92396256       7.29976883       3.33768563       0.34833969       3.08086536      -0.52247874 
O      10.60796721       5.53494819       4.06660566       2.68988475      -0.56228768       0.20528206 
O       0.39529127       2.00206208       4.14358141      -0.86994206      -2.01747965      -2.00260166 
O       1.79583598      10.75431921       3.51089773      -0.53291553      -0.91551089      -2.25151507 
O       1.48365276      10.46674306       0.70714811       1.54728320       2.48237094      -2.61935524 
O       2.66620154       3.61025782       2.13519922      -2.23673238       0.70443072      -0.53272601 
O       0.25541997       1.77088281       9.17141451      -2.83951402       1.56520988      -0.20479616 
O       1.68813806      10.82452099       8.71870457       0.54237440      -1.53855750       0.24820631 
O       1.62763070       0.07893513       5.99684067       2.24361015      -0.26658524       0.99510789 
O      10.68255402       1.71383821       6.40858814       0.22662117      -1.41575369       3.06262807 
O       1.67116338       3.99944474       4.45986665       4.03415504       1.31263294       0.38674657 
O       1.40968376       7.02871334       1.27198848       0.71974925       1.91396432      -0.12461791 
O       1.88938433       6.98484266       9.35607883       0.23155919      -1.09300182      -0.32612254 
O       0.05578970       1.73568042       0.93754126       0.48410882      -0.82141437       2.32376230 
O       3.47681900       5.27839187       7.19788131       0.44248051       0.46976646      -0.59860912 
O       3.49642827       2.01293098       6.67875915       1.31490352       0.84141659       0.97364116 
O       5.54581808       3.37324339       9.13821643      -1.86493962      -0.50035908      -0.75986720 
O       0.08530659       4.91675655       1.52532017      -0.32866089      -0.28025222       0.11273906 
O       1.62469482       6.71730569       6.22314100      -0.01639374      -0.20184288       3.93788722 
O       0.09916002       8.86686982       6.94340073       0.63244970      -0.23199130      -0.45831411 
O       3.09499879       1.82115858       4.11758532       1.40717357      -0.51798063       0.45220113 
O       5.40047688      10.86951432       3.66074686       0.70441796       1.11568306      -2.47992412 
O       5.39787483      10.81886802       0.71997487      -0.18671274      -1.31495033       0.98782309 
O       3.44548090       1.52652512       1.28328998      -0.42614044      -2.32190658       0.00978565 
O       3.22566158       2.06921206       9.52116601      -0.53642161      -2.58064366      -1.43249002 
O       5.29361950      10.79086394       8.86757360       0.17614295       1.59510310      -0.07971606 
O      10.91815830       8.74974207       9.35991026      -0.42986582      -0.12989950       1.64982682 
O       4.37208427       5.62199931       4.32299297      -1.11804928      -1.06821239       2.02689574 
O       5.27824692       3.19825646       3.77282328      -1.63030279       3.61004198       2.59080047 
O       5.25761633       3.23084475       1.15626886       3.37206715       1.68126883      -0.69711883 
O       9.08213725       7.58114707       6.02145552      -4.54354936       1.30789047       0.02259087 
O       3.92533387       5.25579194       9.96216141       1.24687484       1.76680238       0.08924074 
O       5.64748417       3.73664865       6.37267360      -1.48166123      -1.06851074       0.96954710 
O      10.53511595       5.57031460       9.24119985       0.62782850       0.85718209       0.15556651 
O       9.11438558      10.57459020       6.03749393      -1.50026431       1.16670289       0.40726384 
O       1.57933950       3.54171402       7.05608557      -2.23546548       3.01145494      -0.34850033 
O       7.23242854       1.38501370       1.28260696      -0.48213586       0.65227704      -0.72012854 
O       9.11905119       0.19388154       0.41998963      -0.48201278      -0.65428546      -0.12471721 
O       7.32100890       9.06252240       4.39830401       1.58111125       1.74926720      -2.15413644 
O       7.28704968       1.97662795       3.80740750       2.58278316      -2.47968158       1.16707225 
O       3.40032640       8.56820663       6.89040783       1.03059538       1.16751959       0.44542103 
O       8.16985348       7.02716679       8.46707426       1.51375038       0.76098826       0.33739363 
O       7.28278374       1.65616133       9.33750667       0.36625605       0.12715493      -0.49436734 
O       7.36628928       9.00096250       9.32038122      -0.98591885       1.91705635       1.86884312 
O       5.39054428       7.32253715       9.09887573       0.05331720      -1.64598726       0.45595098 
O       9.37587221       7.11052223       3.05528490      -1.70066339       2.89804211       0.40316506 
O       5.72931903       7.42934533       6.40929657      -1.93765050      -0.59935001       0.58153313 
O       7.26592761       9.16265881       1.48656248       1.55349902      -0.45098363      -1.15452786 
O       8.95976596       6.56856988       0.50120784       1.03165335       2.22466953       0.10697965 
O       7.12607503       4.97082627       9.09773960       0.50322796       0.42344673       0.54645095 
O       3.53715643       9.03285355       9.47811282      -0.15894515      -0.25110723       0.45951547 
O       9.08761503      10.78860152       8.64690004       1.13260732       0.88463672       0.08806967 
O       7.37166835       5.41573355       6.25135345       1.53508595       0.14015037       1.80390893 
O       5.06158117      10.94124336       6.04263996       2.24995096       0.34764867       1.56439472 
O      10.44657054       5.61498068       6.59882513       1.13539484      -2.24971937       2.46246375 
O      10.65812126       9.10007573       4.17252088       0.56113396      -0.96521598      -0.38548854 
O       1.99800474       7.19771982       4.02225594      -1.90441425      -1.02686839      -2.27862164 
O       3.90175524       8.78877041       3.95757805       0.24193561       1.49608398       2.13939682 
O       3.54345011       5.97280397       2.03951112       0.18014573       0.06531816      -1.80800907 
O       5.43797576       7.42836740       0.96926871       0.10319033      -0.63090091      -0.08127538 
O       9.35791424      10.92625479       3.27385732      -0.64329758       2.69080412       0.60207654 
O       9.38270317       3.41818775       9.17805222      -2.26059622      -0.87931263      -1.98462643 
O       7.35258551       5.30685052       1.24333578      -4.11944562      -0.67026274       0.37766991 
O       9.03038210       3.46914860       1.12405406      -1.44756769      -1.30526047       0.04533305 
O       9.21181433       3.66739632       3.83795918       0.22745772      -1.13013430       0.25404360 
O       7.26586582       5.30850838       3.93323817      -0.03171485       0.48841834      -2.67499611 
O       3.45955958       9.06399499       1.54478687       0.48940389      -0.20147794      -1.86356129 
O       8.96471501       3.32492819       6.57544346       0.66722579       2.75735427      -0.37978449 
O       7.30907354       1.77226053       6.69930352       0.88657493      -2.49358514      -1.42906799 
O       1.56954593       4.08576564       9.90053288       0.58555090       0.19132451      -0.65588066 
O       7.07241386       9.55109470       6.79836686      -1.19015729       0.34406005       1.76626923 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0020918716928515053 0.002048048634214598 -0.008029606269985588 0.002048048634214598 -0.009260796099116316 -0.0021483200636652306 -0.008029606269985588 -0.0021483200636652306 0.01111604237559475" pbc="T T T" energy=-1062.02902536 free_energy=-1062.02903221 config_type=crystal 
Hf       1.87035748       1.70460799       2.57041479       1.19387421       0.35598460       1.19080051 
Hf       3.55762246       7.02270211       0.35916146      -2.43783573       2.52814109      -3.71253127 
Hf       5.47649804       5.79935986       2.42857068       0.42741829      -1.77868827       2.27890719 
Hf       8.90671318       5.12287222       7.94952465      -2.66819939       1.67437760      -0.28658285 
Hf      10.81238021       7.24087365       5.33764369      -2.25593461       1.60699881      -1.89909937 
Hf      10.78705245       0.02072174       9.95744628       1.17466695      -3.34898823       2.64236655 
Hf       7.60710413       3.70936262       5.01324013      -1.35862097      -0.70615469       1.13518846 
Hf       7.09135733       7.16455229       4.98046391      -0.26185377      -0.73734313       3.52132814 
Hf       1.55956129       5.25285672       2.97426024       1.13433149       4.80471371      -3.06995139 
Hf       0.14206733       3.36622673       5.45230041      -1.31056805       3.85474399      -0.50329054 
Hf      10.74069762       3.42615846       0.03088702       1.80813934       1.48400707       0.23504207 
Hf       1.27705974       5.43351272       8.04286088       2.05141627      -1.26548571       0.19690654 
Hf       8.72038821       8.96332502       7.70677371       2.52860007      -1.69869488      -0.72495082 
Hf       1.75626280       1.73434247       7.87091916       3.29150317      -3.14142487      -0.29505686 
Hf       7.25732956       7.45579739       0.01198537      -0.28406248      -1.44593883      -3.81294946 
Hf       9.06336163       9.01655047       2.77768507       1.46317952       1.89401635       0.65449831 
Hf       5.37764008       9.22647028       2.28610700      -1.28047784       1.08392499       3.03918625 
Hf       5.22418388       8.93126042       7.97695757      -0.58341061      -0.31685648      -2.10748978 
Hf      10.88789685       0.02797812       5.13354606      -0.10120765      -1.21047506      -0.57540983 
Hf       3.79092610       3.70920036       5.36965707       1.08253574      -1.79087189      -0.43183950 
Hf      10.76184379       7.09667406       0.00400841       2.11292413       2.89927572       0.04699817 
Hf       1.81458575       8.59910496       8.22149844      -0.74888303       1.62061258      -0.92863495 
Hf       7.18647240       3.56169459      10.44651208      -1.71991931       0.48554163      -0.58759828 
Hf       9.09453660       5.31723746       2.54408325       0.74877548      -1.17441344      -0.29916303 
Hf       3.37367330       7.18657275       5.34735190       0.00952413       0.76902441      -1.27416317 
Hf       3.61159785      10.95051948      10.40819167      -0.31499144      -0.78797731      -1.11199655 
Hf       7.24213830      10.94199363       5.17242131      -2.55472271       1.46970969       1.72880476 
Hf       5.75562800       1.87441679       2.61074791      -1.94101483      -0.83754414       1.13449185 
Hf       5.63695995       1.94863504       7.70248629      -1.73885718      -0.47333152      -0.58939746 
Hf       1.49445143       9.20200663       2.15525955      -0.31588993      -1.33248048       0.99501988 
Hf       3.51109967      10.75973093       4.98658780       0.85149101       1.10950241       1.17099440 
Hf       3.53894872       3.43264255       0.20570367      -0.05919976       0.52262561      -2.25125722 
Hf       7.18493286      10.81888062      10.37966449      -0.37346921       3.54032746       0.04542336 
Hf       9.05901407       1.41997604       1.96284159      -0.54688165       3.11052259       0.24016567 
Hf       5.22939467       5.47232786       8.05157336       2.56055885      -0.22337630       1.48192681 
Hf       9.10554814       1.75097620       7.69960147      -2.96882842      -1.35217039       0.76997386 
O      10.46177396       9.31353597       1.25730037      -0.37960121      -1.48530820       2.24187885 
O       5.79306892       7.48861203       3.38074201       1.35800372      -0.23065352       0.44419193 
O      10.85768590       5.56620150       4.07267216       0.22009321      -0.11991939       1.02591327 
O       0.33737052       2.01545064       4.17355997       0.63793380      -2.14705333      -2.25670468 
O       1.85447085      10.85519110       3.45812421      -1.04843542      -1.86644413      -0.16476582 
O       1.63990701      10.43917820       0.68676052       0.74924577       1.38827284      -2.01026394 
O       2.65804491       3.63734325       1.99773245      -1.98246853       0.24147505      -0.12845747 
O       0.14848294       1.94024789       9.38327089       1.64754037      -3.03317091      -3.89385493 
O       1.77680979      10.62834022       8.43746346      -1.00305259       1.38418984       2.80691868 
O       1.60596192       0.16139426       6.21223735       1.73944290       0.58666395      -2.10087313 
O      10.65918958       1.62351212       6.49546183       1.37223256       0.62743400       1.84175440 
O       1.93924169       4.23217593       4.44227321       0.41234756      -3.20953389       4.45538308 
O       1.27043618       7.26468761       1.30082336       1.20745129       0.33806141       0.61271577 
O       2.00170108       6.90315911       9.54072900      -2.51592258      -0.04712000      -3.17300104 
O       0.14980884       1.49498082       1.02610283      -0.45684358       2.26298598       2.34960438 
O       3.48836608       5.45131633       7.21085858      -0.94951634      -0.15779233      -1.13609774 
O       3.68198139       2.02111895       6.89157639      -0.03935674       0.83710765      -0.14706063 
O       5.48817538       3.53359091       9.13905814      -0.57681287      -0.24475695      -2.41078799 
O       0.05014342       4.89882695       1.64322044      -0.88561611      -0.62346861      -1.77563315 
O       1.48170116       6.91782689       6.31535066       3.58218542      -2.09550095       3.24839100 
O       0.14416847       8.72846508       6.74859646      -0.88074138       1.31006388       1.82457989 
O       3.18557346       1.87132851       4.12801152      -0.40345399      -1.03502581       0.75425020 
O       5.48028049       0.02405379       3.59025214       0.10083785       0.70407916      -1.49163421 
O       5.44382725      10.77176160       0.81673045      -1.66520475      -0.97643435      -0.47585449 
O       3.42358960       1.44081140       1.30680675       0.69888897      -0.56700801      -0.34035457 
O       3.43135905       1.93921463       9.40803391      -1.52367992      -1.77703570       0.51351484 
O       5.14085802      10.69513391       8.74118831       0.01983078       3.26332330       2.34608643 
O       0.02852449       8.82350521       9.53348130      -0.10383779      -0.38285467      -1.10691816 
O       4.22588488       5.56580938       4.46717738       0.95649886       0.01346865       0.60781837 
O       5.07344543       3.21692208       3.89816779       2.28854290       0.89389220      -1.27090817 
O       5.42266146       3.43658057       0.90824284      -0.13520560      -0.70021845       2.24062840 
O       8.80580875       7.79578310       5.83840192       0.69179936      -1.59900177       0.90584197 
O       3.86585506       5.38059941       9.91699645       1.66493181      -0.99222061       0.89944171 
O       5.86017574       3.68854885       6.30442171      -3.86382112      -1.51991561       1.30539504 
O      10.57172038       5.71024496       9.26855103      -0.18675981      -1.35189471      -0.87967208 
O       9.01424676      10.71132447       6.03196717       2.09603272       0.77885093       0.47612968 
O       1.68370756       3.48388310       7.03441261      -2.28563167       2.38951120      -1.03093017 
O       7.10517121       1.49473508       1.19258751       1.89340674       0.87464171       0.37376050 
O       9.09814364       0.18986134       0.45786171      -0.79160594       0.06176155      -0.14284281 
O       7.48333343       9.20045603       4.42682395      -0.18653542      -1.56884807      -2.46874799 
O       7.54861607       1.88066741       3.75026738      -1.71074351       0.45030454       0.02792506 
O       3.45115183       8.71713943       6.71172446      -0.92672357       1.08655548       2.16267072 
O       8.17054053       7.07813410       8.48164992       2.32469251       1.84191416      -0.21691658 
O       7.14700877       1.56171612       9.23388614       0.44563654       1.25978623      -0.32628472 
O       7.45233869       9.14304001       9.59012813      -0.12869238      -2.94867120      -0.42484953 
O       5.44569985       7.30149911       9.09448053       0.34647830      -1.10361384       0.91306515 
O       9.41640722       7.15983441       3.23936759      -2.12257622       0.38719669      -0.66835374 
O       5.62163053       7.46151938       6.60356950       0.74391103      -1.96893943      -3.22410758 
O       7.40694316       9.28957334       1.56933263      -0.01851595      -1.36439232      -0.64721137 
O       8.93560755       6.57789486       0.52036193       0.36131062       0.69644954       1.56427745 
O       7.26499777       5.17499319       9.13868697      -0.72679057      -2.18944223       2.14181985 
O       3.39779052       8.95167704       9.53832440       0.83927847       0.23842996       0.54640721 
O       9.02536238      10.77056115       8.72161011       2.66511125       1.61998803      -0.51497377 
O       7.29334335       5.31055638       6.35852141       2.53969200       2.52946121      -0.03639650 
O       5.21301862       0.07776492       6.14217502       0.27229869       0.08556351      -1.04300073 
O      10.52371404       5.30451525       6.80169342       2.10418643       0.55754571      -0.85901083 
O      10.61575342       9.07416096       4.22343336       1.34379010       0.69519100      -0.87917046 
O       2.02452725       7.14187852       3.84232408      -0.97720847       0.46388469       0.50124863 
O       3.90465562       8.98098500       4.11795457      -0.09633371       0.42230681       1.48483118 
O       3.57859531       6.16457111       2.06305701      -0.47718639      -1.80186820      -0.00458217 
O       5.45736174       7.49882631       0.94820969       0.89086498      -0.64421820       0.64535950 
O       9.30172727       0.26784177       3.42319307       0.96227840      -3.07814961       0.93835336 
O       9.36215804       3.34750818       9.16669035      -2.30245293       0.99117160      -1.96627910 
O       7.07945189       5.18860635       1.33887231       0.12979853       0.88991306      -0.54099962 
O       8.94773157       3.40163225       0.98829229      -0.11410110      -0.12098745       1.19572064 
O       9.43280595       3.80315332       3.79071210      -1.54679995      -1.60333216       1.10327917 
O       7.35180928       5.31019977       3.77788354      -0.98208141       1.45327777       0.37201707 
O       3.50028456       9.03058818       1.71304914      -0.39422865      -0.19001356      -1.77162008 
O       8.97026970       3.35865493       6.48622406       1.68037407       1.82707170      -0.11344183 
O       7.32289662       1.76287332       6.58313694       0.30518739      -1.69841925       0.17000340 
O       1.62948621       4.11756028       9.86664348      -0.69766457      -0.59010397      -0.43322678 
O       7.11131840       9.64941373       7.13312541      -2.83248641       0.27070436      -1.05575136 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006162361753269194 0.004016937263000662 0.01607318013861759 0.004016937263000662 -0.0036903166624961408 0.00231838168887104 0.01607318013861759 0.00231838168887104 0.021625943625802783" pbc="T T T" energy=-1064.56441095 free_energy=-1064.56441155 config_type=crystal 
Hf       1.60668787       1.64135243       2.33478506       1.28124066      -0.61324165       1.14966206 
Hf       3.50898768       7.51642154       0.08695861       0.66769321      -1.65628087      -1.00417895 
Hf       5.59714124       5.15214895       2.74150321      -1.54391995       5.82921076      -2.84723030 
Hf       9.02481228       5.55373302       7.89960598      -0.73565764      -1.03141204       1.56500386 
Hf      10.80266574       7.15097605       5.09793763       1.08736903      -3.07756271      -0.29533048 
Hf      10.69619687      10.95500289      10.38721066       1.78480115      -0.16299796       0.97764744 
Hf       6.90903941       3.44045428       5.66562359       3.47025017       0.29880400      -1.11492977 
Hf       7.17146114       7.23653628       5.26379903       0.76692578      -1.59316472      -1.11920839 
Hf       1.78423094       5.45249476       2.42518162       0.61411574      -0.93496935       3.32069644 
Hf       0.02717406       3.54919204       5.00467740      -3.10013764      -0.17803239      -0.21122503 
Hf      10.69485235       3.39119655      10.60305663      -0.11919821       1.40294392      -2.57704222 
Hf       1.70792591       5.60992372       7.69466260      -0.95334874       0.36056127       2.34733540 
Hf       9.00682527       9.29696929       8.10610959       1.04063978      -1.17427440      -0.96395476 
Hf       1.68162428       1.94467740       7.76227250      -3.06663236      -1.12933348       4.93738580 
Hf       7.37919862       7.02388371      10.54626238      -2.51814274       1.54684819      -2.18565357 
Hf       9.04829373       9.03745036       2.36330745       2.61177098      -0.41123017       0.67389585 
Hf       5.72237161       9.12548445       2.31644153      -2.97629450      -2.26119794       1.40409482 
Hf       5.60477867       9.04240302       7.72768531      -2.44586880       1.93362411      -0.20690225 
Hf       0.25965808      10.72109821       5.18687016      -1.61685391       0.37079708      -0.24662538 
Hf       3.29354090       3.43851902       5.42381480       1.68738883      -0.17795418      -4.27325400 
Hf      10.92541633       6.97861242       0.00654215       0.50317703       2.22639079      -3.18663522 
Hf       1.78600866       9.01865041       7.77545288       0.61186205      -0.04866042      -0.60816531 
Hf       7.04223370       3.57739837      10.33937708       2.36527159       2.71861634       2.14242056 
Hf       9.05982963       5.40063793       2.50863617      -0.23805193      -0.87365970       1.21494739 
Hf       3.65943186       7.01281289       5.02315582      -1.47521840       2.14822742       0.34984196 
Hf       3.41927119      10.73775034       0.01110784       1.49628141       3.07001597       1.31330925 
Hf       7.27320206      10.86427615       5.19436626       0.30790162       1.42328177       1.75307124 
Hf       5.30385909       1.62833232       2.78069680      -3.13867638      -0.23103662       0.68541560 
Hf       5.08499623       1.60252492       8.27207569       1.50967735      -1.33145836      -0.89137014 
Hf       1.80635976       8.90366599       2.60944288      -1.11663335       1.10053918       2.53583818 
Hf       3.61293328      10.62895453       5.13130483       0.89704536       0.86383048       0.82611146 
Hf       3.54237215       3.97832103      10.58220934      -1.98856486      -0.92912081      -1.63156839 
Hf       7.00970303      10.86989811      10.44098574       0.79300967      -2.17456155       1.68602792 
Hf       9.01968970       1.75114722       2.75621726      -0.50667049       0.41312209      -0.79992107 
Hf       5.35258853       5.58375586       7.86559690      -0.50634678       0.18465154      -1.62122990 
Hf       9.21356039       1.70837072       7.55952507       0.00110177       1.95214281      -2.35117644 
O       0.11345771       9.07635325       1.59365082      -2.74980115      -0.14162149      -0.51648771 
O       5.21821834       6.97120540       3.84905458       1.28388795      -0.35831464      -2.29530332 
O       0.10202896       5.21341019       3.93406277       0.13620617       1.84756834      -0.24709285 
O      10.81132953       1.84554620       4.01643093      -0.62919854      -3.30492626      -2.63152907 
O       1.86894986      10.85891527       3.63163222      -1.73374524       0.55583550       0.54014762 
O       1.77078158      10.76451377       0.93226778      -4.23585333       0.44349783       1.98599180 
O       1.77361305       3.25547307       0.91648212       0.67513723       1.54820658       0.59407984 
O      10.79742362       1.95125867       8.96251183      -1.05534539      -0.12579331       1.07898769 
O       1.56817534       0.30615337       9.30886353      -0.24782864      -0.58849745      -2.97437766 
O       1.97924259      10.66493940       6.35696575      -1.01566886       1.72086894       0.25769123 
O       0.41308382       1.81046958       6.21187309       0.19963994      -0.34598399       2.82721388 
O       1.85293361       3.27130416       3.58098216       0.25847676       0.27388378       0.64510831 
O       1.78648930       7.04155300       1.16493627      -0.32095901       1.20440453      -1.53291183 
O       1.74851614       7.40446119       9.17779542      -0.83774657      -0.45830799      -0.54349684 
O      10.78936987       1.82368394       1.26863290      -0.09052260      -1.62704698       0.04058892 
O       3.62684674       5.75336350       6.72352924      -1.17159331       0.08728642       1.00322510 
O       3.44036697       2.09701455       7.12218423       2.25971199       0.82153749      -2.12428601 
O       5.26277771       3.70196162       8.57573038       0.87147761      -1.38144767       1.33928371 
O      10.86302684       5.47882696       1.26880775      -0.54692950      -3.12081329       0.79206077 
O       1.57631170       7.33754030       6.47779813      -0.36808108      -1.15893140       0.17110834 
O      10.87919581       9.31227636       6.78373806      -0.41917162       0.06419188       2.67938285 
O       3.81889731       1.62677635       4.33119654       0.22902864       1.50523799       2.06613646 
O       5.44719085      10.65421128       3.69857387       2.07214607       1.16553580       0.75432456 
O       5.34038979      10.54536090       0.99539193       1.11597039       0.37753040      -0.20154849 
O       3.57649866       1.09595432       1.82910337       0.64527879       2.12672433       0.00250909 
O       3.77790708       1.48441179       9.67343313      -0.19736483       2.76352775       0.22083075 
O       5.25957658      10.58572511       9.18186218       1.96476513       0.55745345      -2.11893076 
O      10.52292082       9.10487994       9.65200379      -0.05595252       1.23460376      -0.38493911 
O       3.20087319       5.35320075       4.00011148       1.51873707      -2.48485709       0.79698454 
O       5.72863669       3.68215756       3.72061257       0.50484045      -5.91930740       0.79507826 
O       5.27529472       3.73512763       0.87074660       2.00159212      -1.38639218       0.44224963 
O       9.06214025       7.28441520       5.93386076      -1.19116155       0.84878583       1.33577114 
O       3.49835170       5.55816702       9.37195047       1.12583127       1.31427765       0.06414586 
O       5.07477702       4.12801044       5.83062851       0.72574338      -0.56359259       2.39823706 
O      10.91861780       5.47889368       9.19386296       0.49491629       0.63582894       1.92259402 
O       9.22619145       0.14574833       6.23725451       0.04669335       0.35596705       0.05216604 
O       1.63029389       4.12443090       6.16920117       0.21250927      -0.32099348       1.78847380 
O       6.96079830       1.50914890       1.94526548       2.53009136       0.01215462      -0.69114858 
O       8.80637506       0.09177863       1.02745728       1.66382899      -0.60142524      -0.74928569 
O       7.41325699       8.65803027       3.93571686      -0.56907266       2.39050228      -0.98301801 
O       7.68171559       1.99209135       4.46076448      -1.33665707      -3.27584446      -0.76191648 
O       3.60890026       9.05200102       6.69013590       0.58255409      -0.74505470       1.86883899 
O       9.01984341       7.34046456       8.87426572       0.26575285      -1.13542792      -0.88536386 
O       6.65573516       1.77567628       9.92349290      -0.49104892      -1.10250086      -2.17553790 
O       7.33009427       8.87430938       9.28356991      -0.52570709       2.36143401       1.00089718 
O       5.46181185       7.37380827       8.67553606      -0.59450174      -1.56508649       2.06076822 
O       9.70025998       7.18825428       3.08851158      -0.40788695       0.39389230       2.19042724 
O       5.48980969       7.48349679       6.18460769      -0.40002598       0.11473202       1.47679113 
O       7.37334998       9.03845908       1.35213167       0.46557552       0.68370146      -1.21593269 
O       9.00359468       7.21077302       0.85809458       2.10512270      -0.43585454       0.08998385 
O       7.30676106       5.36050457       9.34138572      -2.31537242       0.97431353       0.90828104 
O       3.29000233       9.19247644       9.56967039      -0.14888223      -3.13243374      -1.43234287 
O       8.79885990       0.23658156       8.96144786       0.17022607      -1.13090202       0.64906343 
O       7.25636937       5.40261034       6.76195860      -1.19576489      -0.58015487       0.49056218 
O       5.37683547       0.08647428       6.42419205      -1.27396051      -0.39187024      -1.00938097 
O      10.50325667       5.32508262       6.80134202       4.25938381       0.68879842      -2.65644865 
O       0.37255221       8.80600891       4.47542495       0.69567477       3.79374696      -1.80006854 
O       1.78214689       7.10979683       3.66982264       0.28685750       0.23273214      -0.70454816 
O       3.47933242       9.07700678       4.05724533       0.25504119      -2.84707211       0.63633612 
O       3.74224706       5.50149525       1.37339807      -1.25946824      -0.03282470       0.82147430 
O       5.62176693       7.51971842       0.82669652      -2.18667373      -0.25764856      -0.25212750 
O       9.38082542      10.42370186       3.72935004      -0.91222335       2.28772515       0.08091984 
O       9.04876791       3.80266567       9.14863890      -0.54804346      -1.54237471      -0.63759405 
O       7.15594865       5.41564579       1.47274999       1.45704364      -0.09627158      -0.35972787 
O       8.84662149       3.28108623       0.94804792      -0.52499304       0.49987257       0.08742769 
O       9.21638276       3.59717241       3.51880347       0.17492534       1.47886610      -1.29636761 
O       7.42100541       5.62587554       4.18365295       0.40293097      -1.42977581      -2.07622949 
O       3.51338881       8.93737749       1.68493480       2.15886644      -0.97188282      -2.80806449 
O       9.08429635       3.36835603       6.20800765      -0.47137837      -0.82521439       0.95028506 
O       7.17793997       1.54789293       6.87486951      -0.58362754       2.43934006       1.22726999 
O       1.92243705       3.66328530       9.15743706      -0.54941282      -0.95121160      -2.94849770 
O       7.26803412       9.56612841       6.80681447       1.95285435      -1.35770646      -0.88918583 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0075811996706923864 0.001753080330555277 0.010794389473343139 0.001753080330555277 0.003407134294141861 -0.0012713474117372417 0.010794389473343139 -0.0012713474117372417 0.01568446351904226" pbc="T T T" energy=-1063.88672067 free_energy=-1063.8867266 config_type=crystal 
Hf       1.58606046       1.63404544       2.37363852       1.66580928      -1.40124424       1.85564852 
Hf       3.51509072       7.49264844       0.15018639       1.35132452      -0.24648536      -3.02066194 
Hf       5.64897857       5.12579834       2.69112112      -1.80536673       2.78627182       0.65012166 
Hf       9.01770118       5.53444728       7.86920779       0.83765522      -2.49739446      -0.50264197 
Hf      10.78794515       7.17182554       5.13938903      -0.08575207      -0.88961638      -0.69872674 
Hf      10.70382202       0.01591885      10.33322671       2.74007487       1.15262452       1.73577199 
Hf       6.91024972       3.48156580       5.67728021       4.34485771      -0.11157750      -1.66218131 
Hf       7.14749752       7.23807209       5.22604621      -0.45951270      -1.29313607      -2.51715026 
Hf       1.82146984       5.45438215       2.37007844      -1.37775769      -2.14180266       3.34850189 
Hf       0.06525207       3.51852871       4.97204478      -2.87209541      -0.27099552       1.33249841 
Hf      10.73559859       3.35295901      10.56615678      -0.25191039       1.63891003      -1.56875645 
Hf       1.74703072       5.53968458       7.73838637      -1.25496400       1.18965982       2.87967701 
Hf       8.97646828       9.31657966       8.10062344       2.81968070      -1.12389993      -0.43080527 
Hf       1.65472883       1.94418208       7.77453751       0.28247099      -2.81388861      -0.39801197 
Hf       7.36551611       7.00203307      10.53837141      -2.18978288       3.86340797      -0.26307099 
Hf       9.08609642       9.03269096       2.36404500       0.32163622       2.16147765       1.49294890 
Hf       5.67258207       9.16550277       2.38458150      -1.74403166      -3.28656949       1.03552351 
Hf       5.61730280       9.09689904       7.69694061      -2.95741208       0.19091537       0.89981691 
Hf       0.21688005      10.72610598       5.11473677      -0.97171947       0.74626108       0.76812455 
Hf       3.30906533       3.46061431       5.45762863       1.24812360       0.30762805      -2.04880015 
Hf      10.90349074       7.02203850      10.60912090       1.25437858       1.16591863      -1.70958583 
Hf       1.79659271       9.06717826       7.75273276       0.01316060       1.21320407       0.74875752 
Hf       7.07200904       3.61255497      10.34999481       3.24440303       0.67457504       1.17383956 
Hf       9.01821798       5.40769853       2.51014092       2.84182080      -1.03385167       3.02325595 
Hf       3.68008841       7.06060220       5.03760158      -0.91145512       0.08560927      -0.55651571 
Hf       3.46291156      10.76848937       0.01355697      -1.29055752       2.51479085       0.25728982 
Hf       7.30986796      10.78453323       5.21847783       0.80232707       2.69165646      -1.53388450 
Hf       5.28252612       1.59282634       2.77015847      -2.15815956      -1.01905730       2.00186993 
Hf       5.13637614       1.58680141       8.25641832      -0.80403129       0.47184344      -0.90489492 
Hf       1.84626393       8.85627186       2.62972567      -1.90378801       2.99663379      -0.10415409 
Hf       3.64438149      10.63298907       5.18576729      -1.68160953      -0.46536376       1.06668227 
Hf       3.55820400       3.98596437      10.51898358      -2.55667371      -3.26930914      -3.43744035 
Hf       6.98088514      10.91660343      10.47935399       1.31129217      -0.86779766       2.40654627 
Hf       9.02450486       1.70405428       2.73716924      -0.03156061       0.78507841       0.44532645 
Hf       5.31716647       5.57571525       7.87682357      -0.68261034      -1.29699678      -0.98574713 
Hf       9.13330791       1.71957488       7.54233383       1.85408144       2.74901527      -1.56046309 
O      10.84584115       9.02680693       1.66391638       2.63908438      -0.50146726      -0.85948884 
O       5.24190872       6.99023586       3.68665473       0.22453086      -1.25944648      -0.75151315 
O       0.11118423       5.11123136       3.85682321       0.53316622       4.51401715      -0.60244561 
O      10.70851108       1.84886192       4.00555523       1.47891586      -3.82260614      -2.52645987 
O       1.69191459      10.63784904       3.61511156       0.68601266       3.70879697       0.19690973 
O       1.73571054      10.76621984       1.01739119      -2.03964224      -0.10907295      -0.80907910 
O       1.61794067       3.52920128       0.96327247       1.30185500       0.37903867      -0.42711326 
O       0.10938207       1.80621164       8.85210128      -7.20880643       1.29459860       4.72313898 
O       1.61922087       0.21094869       9.00613579       0.54458835      -2.87684524       0.03988091 
O       1.82401382      10.77990191       6.42048529       1.85406815      -0.60708507      -1.24671590 
O       0.31009742       1.67911010       6.27578623       0.74805312       1.86729029       1.12542713 
O       1.84106476       3.32109874       3.55381540       0.55728371      -0.97650812       0.73369867 
O       1.85265829       7.14726942       1.14697050      -2.75434131      -0.21201761      -0.89299362 
O       1.68962501       7.32419457       9.10999473      -1.16816684      -0.15464380      -0.66993619 
O      10.93360857       1.69616848       1.29224374      -2.05075698      -0.01774733      -1.70219922 
O       3.56764271       5.81504009       6.78831533      -0.83138943       0.35409525       0.92989971 
O       3.50345139       2.00174501       7.16813893       1.81530095       1.00912806      -2.49162036 
O       5.19079186       3.54683124       8.59013523       0.85575298       2.75894880       1.47466924 
O      10.66736002       5.36771110       1.26489968       1.37993825      -0.21536733       0.02253783 
O       1.41128060       7.44907106       6.41773546       1.21079348      -1.96494233       0.24433466 
O      10.74056154       9.30734736       6.75459759      -0.98841674      -0.47447291       1.95834473 
O       3.75599026       1.59002412       4.52400660       0.46464719       1.78454203      -0.03084930 
O       5.50750067      10.64766409       3.78443079       1.24674898       2.00484372       0.31444780 
O       5.30704531      10.62282004       1.09721296       2.13441369       0.83548894      -1.64992499 
O       3.55737310       0.95703465       1.92396730       0.32671653       3.05260501       0.38905025 
O       3.60465186       1.69550400       9.74464127       0.87496754       0.99476031       1.21707358 
O       5.12015951      10.78075779       9.18595754       2.74476857      -2.08196050      -0.98300792 
O      10.57678194       9.15925029       9.82134980      -0.69288297      -1.98466045      -2.24084234 
O       3.16607463       5.17520651       4.25666132       1.47478458       0.61252594      -0.42425668 
O       5.71981831       3.60737278       3.82939561      -0.67735187      -2.27995678      -1.68637797 
O       5.33231149       3.79748074       0.69521515       1.34846881      -0.40500536       2.44715653 
O       8.89414029       7.28710599       5.94981425       2.15902333       0.46493548       1.93911378 
O       3.62364091       5.66396484       9.48808792       0.36361893      -0.13162065      -0.82333787 
O       5.17715306       4.19704420       6.05277503      -2.11079824      -0.84918844       0.87225105 
O      10.93567081       5.40694552       9.33085058      -0.78004926      -0.00186216       0.01468370 
O       9.34011041       0.36908036       6.10859535      -3.35903802      -1.05196598       1.38031253 
O       1.58839157       4.12472025       6.38368780       1.67173592      -2.72806909      -2.05708197 
O       6.93223721       1.52147911       1.90597676       1.91136505       0.18664980      -1.17123332 
O       8.86510777       0.08416695       1.03894478       0.32751027       0.05949197      -0.58542205 
O       7.38734364       8.71943405       3.87256742      -1.14025427       2.07097056       1.38436865 
O       7.68349243       1.96809048       4.42460409      -1.87130921      -3.25858547       0.25713589 
O       3.61923298       9.17056696       6.84074691       0.40217313      -1.24383464       0.78897390 
O       8.86902070       7.26506219       8.92352040       1.08030885      -0.04239530      -1.40844651 
O       6.70831125       1.86388030       9.81424602      -0.09641007      -3.61042276      -0.88245374 
O       7.35688421       9.02088248       9.23978428      -2.13109529       1.80833175       1.41108752 
O       5.40490343       7.35774502       8.67668431       0.57777701       0.67857380       1.46327681 
O       9.45017493       7.33742449       3.21468270       0.56366878      -3.57329560       2.09622750 
O       5.50729514       7.45700956       6.28755795      -0.44293232       0.36026248      -0.28286168 
O       7.36149362       9.03931485       1.41116237      -0.76977284       0.37419643      -2.34156742 
O       9.06348872       7.23731492       0.80372108      -0.05662350      -0.41101007       0.18249406 
O       7.23531643       5.39679928       9.44926486      -1.35041612      -0.08720264      -0.48943176 
O       3.23747291       9.11881772       9.56554389       0.35730470      -1.23231390       0.37220854 
O       8.99694307       0.18603211       9.12448067      -1.17915102      -0.26044168      -1.78386780 
O       7.16774169       5.33419483       6.80815617       0.86466127       0.11980121       1.33674880 
O       5.26626621      10.91206392       6.35034452       1.80354985       0.01473668       0.29291562 
O      10.47036522       5.21703542       6.53721307       0.95222635       2.94625477       0.98140590 
O       0.51517040       8.79880896       4.29401152      -1.37612142       0.05903858       0.97290377 
O       1.94392045       7.14323202       3.51680235       0.78986073      -2.82204762       1.43452211 
O       3.61485858       8.92172049       4.15269407      -0.19253542       0.02254676       0.99844315 
O       3.57755942       5.32196454       1.31625858       0.45704242       1.31430595       3.08348459 
O       5.42892643       7.57798845       0.78676071       1.52612123      -1.39759371      -0.32495729 
O       9.52176549      10.56154215       3.82624517      -2.92176495      -0.06646347      -2.24249322 
O       8.91906946       3.61078820       9.09045884       0.17843764      -0.22794779      -1.28028252 
O       7.24930560       5.52720624       1.61482613      -0.43633595      -0.12892387      -1.95388609 
O       8.91739144       3.28478223       0.93959372      -0.85463311       0.24160464       0.36230901 
O       9.29068055       3.55052341       3.61445129      -1.35653245       2.27598871      -2.85002923 
O       7.38408697       5.54407662       4.24930254      -0.10387240      -1.35583220      -1.72680535 
O       3.68404867       8.92645918       1.75078071      -0.84926930      -0.29951065      -1.77030615 
O       9.16708975       3.35411454       6.17961525      -2.20567219      -1.44821565       1.72375040 
O       7.04547974       1.66506319       7.11189164       0.24860563       1.15112964      -0.50785231 
O       1.81246543       3.59148844       8.83822310       1.08851671       3.01995008       1.14231461 
O       7.33361224       9.55938094       6.72597359       1.36243547      -1.61253419       0.84273847 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011812851313826887 -0.005768081127900578 -0.007529425091708342 -0.005768081127900578 -0.0069949025560016465 -0.0047548446663740005 -0.007529425091708342 -0.0047548446663740005 -0.00023720206940121145" pbc="T T T" energy=-1060.81704518 free_energy=-1060.81704803 config_type=crystal 
Hf       1.57144559       1.97525702       2.30996719       2.74166638       0.70990915       0.93841578 
Hf       3.64830067       7.33580070       0.02142860      -0.27104755      -0.35486264      -3.36342265 
Hf       5.39093135       5.32140063       2.77450721       2.55745254      -1.56502623       0.45344807 
Hf       9.11399599       5.30159799       7.90183127      -1.07392004      -0.82356183      -0.34819964 
Hf       0.13767638       7.29088768       5.19115503      -4.29969730      -3.19056595      -1.05746459 
Hf       0.15637126      10.52470884      10.43649053      -4.71889370       2.22682335       0.38661534 
Hf       7.12217481       3.47256019       5.23652438       0.65124974       1.70279199       0.38079893 
Hf       7.10522555       7.22108492       5.24584569      -1.12351528      -1.17924830       1.04865592 
Hf       1.75853365       5.29773611       2.63862608      -1.58754484       0.18640322       0.70562330 
Hf      10.72810140       3.27657400       4.93942927      -0.78198568       2.19359734       0.65575759 
Hf      10.95590249       3.49152864      10.48903297      -2.32799594       1.66291840      -0.91901689 
Hf       1.51653796       5.72820480       7.82349607       1.44386578      -1.47635752       0.77658090 
Hf       9.10247915       8.90696056       7.83099015      -1.52972426      -0.41855230       0.17420019 
Hf       1.67814893       1.96923626       8.11075309      -1.36973448       0.90528175       0.50074032 
Hf       7.13747147       7.09994059      10.32093735       3.43654481      -0.08560593       1.14207427 
Hf       9.19401532       9.08814103       2.74683227      -1.87822402      -1.17700189      -2.95103768 
Hf       5.28609131       8.82714380       2.56512197       0.51657003       0.76515241      -2.54690424 
Hf       5.33225376       8.96108638       8.13097401      -1.60689605       0.67000016      -1.61877940 
Hf      10.90494767      10.94837506       4.91165675      -1.22112487       1.15795999       1.25356916 
Hf       3.19812608       3.44210481       5.68406002      -0.03467306       1.68023754      -2.89816589 
Hf      10.77352508       6.98543998       0.29875781       0.84141754       2.35225563      -1.23656008 
Hf       1.69125110       9.44506801       7.81778862       2.11441021      -2.66328643      -1.22069730 
Hf       7.31685646       3.58790221      10.43559514       0.85796922      -1.87284417      -1.80769896 
Hf       8.95151204       5.46203010       2.42749449      -3.08736059      -0.89876880       0.67946962 
Hf       3.39789658       7.25217334       5.05659763       1.90865473       0.25579703       0.74710971 
Hf       3.71711640       0.23478084      10.35161956      -1.13544819      -0.11136407       1.07035191 
Hf       7.06382304      10.65083355       5.57490710      -0.02678721      -0.14088350      -1.59635174 
Hf       5.47901957       1.59850494       2.53463906      -0.74825062      -0.18865351      -0.15807207 
Hf       5.32602834       1.81395753       7.71577902       1.84394335       0.92428239       0.50653600 
Hf       1.96094487       9.39128829       2.53007412      -2.17492084      -1.55995428      -1.10267077 
Hf       3.64698880       0.03927649       5.11223959      -3.14576945      -2.27083104      -2.05664590 
Hf       3.66948804       3.71713481       0.18354338       1.86212435      -0.81104492      -0.68077443 
Hf       7.03487576      10.69844427      10.56020380       2.35246182       2.70881789      -0.19909270 
Hf       8.88130063       1.67373015       2.15131980      -0.68180638      -1.31825284      -0.45250383 
Hf       5.31235580       5.38741009       8.05602288      -0.37204066       1.25445310      -1.89404165 
Hf       9.23211492       1.52716144       7.81493473      -3.19482020      -0.37254790       3.35016118 
O      10.77592686       9.00875320       1.41671209       1.40547416      -0.22576843       1.09631230 
O       5.35652754       7.10149744       3.57973591      -1.19004450       3.56842709       0.82213674 
O       0.45690289       5.22494620       4.48393644      -1.36928251       2.34996520      -0.77756570 
O       0.13729818       1.64658831       3.73702162       0.00596615       0.01777832       1.18349397 
O       2.13640389       0.26900574       3.18542521      -0.81688123      -0.77681408       0.47354963 
O       1.85010378      10.48107613       0.59489610       3.16059011       0.77604579       3.83681941 
O       1.77683981       3.59281445       0.83785718      -0.88569409       0.41105006       1.71365155 
O      10.91507288       1.17452056       9.11238721       0.25506866       2.76322855      -0.85628869 
O       2.03151761       0.06238259       8.99817404       0.29777713       0.52337732      -1.87866669 
O       1.66895739      10.77295877       6.11313266      -2.05585246       1.20519027      -0.37913902 
O      10.35542758       1.64623037       6.28142863       3.35331915      -1.05836705      -2.18073878 
O       1.76578115       3.59709912       3.91287311       1.95555681      -2.65276208      -3.20231103 
O       1.85776258       6.73677910       0.59794683      -0.87757424      -0.95161726       3.71259250 
O       2.13226987       7.07024863       9.04189069       0.01742309       0.17820776      -1.86716335 
O      10.90586074       1.86934121       1.21886708       0.65025767       0.85129636      -0.24562303 
O       3.38755762       5.23203703       7.03219253       0.64048475      -0.32389387       0.14060163 
O       3.31962363       1.84095618       7.11956950       0.09236739       0.45611399      -2.32657533 
O       5.65299526       3.66218422       8.54404331       0.35580982      -3.16423665       1.30663986 
O      10.82895400       5.27872800       1.52781437       0.94325309      -0.43093735       1.60106135 
O       1.68820752       7.27796529       6.36161307       4.34879583      -0.54247786      -1.22729195 
O      10.79661660       8.48917553       6.88684669       0.50243684       2.74562398       0.45805232 
O       3.98018234       1.73287710       4.18383598      -0.44720746       1.62124350       0.17574503 
O       5.27382968      10.48230200       3.50897377      -0.20596476       1.58582094       2.93805971 
O       5.11510277      10.80356676       1.17480488       1.22663503      -0.32578389      -1.92087258 
O       3.62284791       1.89572150       1.31096524      -1.30256747      -0.93150145       1.15600270 
O       3.50751147       2.17110922       9.50114554      -0.35514819      -1.37803960      -1.11204902 
O       5.35263586       0.07088554       9.09625994      -0.38861381       0.04121225      -0.85469012 
O       0.24807474       8.94422586       9.41320768      -0.37412641      -1.88158365      -1.36619161 
O       4.09212878       5.28727335       4.46620897      -2.59308376       0.88616371       1.66368640 
O       5.90300384       3.50872287       3.42133437       1.00193337      -1.20837084       0.45548158 
O       5.67383609       3.26389845       0.60761221      -3.46153160       0.66444311       1.18585336 
O       8.91055698       7.19668141       5.88190865       1.36006975       0.31038225       1.26942044 
O       4.32893636       5.38988484       9.94354110      -1.00243468       0.11939436       0.01480747 
O       5.07751668       3.19697088       6.09792161       2.42000129       0.55714338       0.30228109 
O      10.49646877       5.47449112       9.79691362       0.65752780      -1.67169809      -1.97605517 
O       8.92352209      10.66119661       6.27863629       0.74764841      -0.69707139      -1.30832547 
O       1.19529116       3.54998974       6.36724803       2.77539837      -1.70096828       1.97279830 
O       7.19450325       1.62372291       1.04058824       0.29100871      -0.39525203       0.00729421 
O       9.34169026       0.19698954       0.68014769      -1.21996119       0.12824665       0.48358792 
O       7.55136110       8.85408231       4.21924352      -0.02582209       1.84350457      -1.07133650 
O       7.12585077       0.97313526       3.33836674       1.86513534       1.05039193       2.77267052 
O       3.48484690       9.44135250       6.78019201      -0.51561290      -1.13771922       1.83742854 
O       8.98851626       7.10360417       8.95824471      -0.13945779       2.83561527      -1.48270835 
O       7.49235351       1.76317581       9.01935657      -1.14281269       0.96437389       0.69125194 
O       7.01886050       9.04833832       9.41794843      -0.05457656      -0.51940627       0.15582722 
O       5.57936272       7.19376832       9.04961733      -1.57183709      -0.26447028      -2.73846746 
O       9.63627859       7.00916016       3.32557261       0.95820537       2.26259315       1.22869687 
O       5.27735039       8.04413820       6.12614543      -1.89386161      -3.36446126      -0.98852996 
O       7.55224919       9.44801320       1.28176716       0.01197334      -1.38810387       3.35698288 
O       8.87500399       7.21977491       0.99188786       0.03484694      -1.24360007       0.23701391 
O       7.47079100       5.33562415       9.26127208      -1.43567342      -1.14174240       1.34736509 
O       3.56570755       9.00950555       9.46155007       1.31260255       1.01262729      -0.09898901 
O       8.98761173      10.63283437       8.81041690       0.37167574      -0.71520057      -0.60045506 
O       6.98456186       5.30226675       6.67974339      -0.60668947       0.15917851      -0.27412072 
O       5.02057287       0.31482625       6.29937496       5.46809846      -0.82579100       1.78869154 
O      10.75511188       5.63676953       6.91546857      -0.40834570       1.03215621       0.17769271 
O       0.44509035       9.05720994       4.23851241      -1.37641909       1.89203117      -0.93519806 
O       1.77079571       7.13410710       3.44734598       1.73185500       0.44005357       0.75815215 
O       3.30615640       9.22847096       4.02407127       0.55294059      -3.11815482       0.94353456 
O       3.68542990       4.84370501       1.95952875      -1.63297434       0.51875473      -0.85822824 
O       5.65623297       7.55301272       0.84584370      -3.23365853       1.68303700       1.86580914 
O       9.34544587       0.01531605       3.34422395       1.59944022      -1.91468073       1.71059818 
O       9.56058161       3.45135090       8.82843815      -0.34006449      -0.55401767      -0.21409960 
O       6.81197068       5.61546690       1.36039668       2.84657123      -1.67689061      -0.88699139 
O       8.93214786       3.54049790       1.11638906       0.13026086       0.99498957      -1.41975060 
O       9.04480874       3.47882143       3.73292840      -0.85708472      -0.06127409      -2.19690456 
O       7.28440129       5.68539204       3.96636451       0.89420592      -1.41110315      -0.07110322 
O       3.47518656       8.75084797       1.39955466       0.87166264      -0.01176069       2.66983007 
O       9.00584011       3.60566320       6.08529988      -1.31667014       1.20283177       1.73943571 
O       7.09553770       1.69745099       6.43486420       0.72071679      -0.50228812      -0.66883509 
O       1.42930103       3.80658003       8.93152415       0.20301818      -0.37298858       0.58342382 
O       7.04107072       9.01830793       6.96422730       2.35927068       1.97951219      -0.51910933 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.022675712813646873 -0.003694167367792863 0.0014717330407821166 -0.003694167367792863 -0.023521576292370776 -0.009439206872491146 0.0014717330407821166 -0.009439206872491146 -0.009983908348389752" pbc="T T T" energy=-1057.69817504 free_energy=-1057.69818087 config_type=crystal 
Hf       1.52790700       1.99082100       2.31828035       5.67038132      -1.35208334       2.56200259 
Hf       3.67330895       7.37439025       0.02413453      -2.39667601      -1.72473687      -1.57229091 
Hf       5.35167655       5.27107863       2.77015963       2.11717051       0.86538591       0.08753932 
Hf       9.10001832       5.31573255       7.85293691      -3.27248890      -0.00152789       2.81268005 
Hf       0.15280596       7.29974166       5.24973676      -2.18950775      -1.01421604      -1.26748836 
Hf       0.15212921      10.52058468      10.44722486      -4.01623998       1.81832969      -0.99423358 
Hf       7.13061958       3.38221164       5.21396167       0.48609021      -0.47850193      -0.17270279 
Hf       7.16326572       7.24760019       5.26495929      -1.80012375      -0.01690184       0.06136680 
Hf       1.82260477       5.30000105       2.68319082      -4.71750132       2.28656535      -0.00827825 
Hf      10.77043034       3.29556239       4.93274076      -0.43756189       1.41571739       0.52232251 
Hf      10.95521884       3.48936537      10.43962406      -1.92076152       1.73261695       0.84786956 
Hf       1.51933480       5.71985260       7.76699092       0.83713642      -2.00172413       2.57071547 
Hf       9.12664677       8.92904994       7.78926155      -0.47383631      -1.07762397      -0.46059987 
Hf       1.60936694       1.97134814       8.05038068      -2.11873913       0.34499830      -0.63057627 
Hf       7.15885802       7.11086285      10.29830768       0.91263204      -0.76584646       0.57273955 
Hf       9.27026010       9.06939039       2.75948929      -2.58492382      -1.83733218      -2.19992412 
Hf       5.31436885       8.86092718       2.57817173       0.70033534       1.64646410      -4.13797219 
Hf       5.31256100       8.95561200       8.16461597      -1.42229137       0.32057031      -4.03531657 
Hf      10.90648600       0.00460623       4.89750966      -0.32508433       0.06088295       2.45653475 
Hf       3.19131265       3.40614316       5.61518665       1.75608434       1.22670843      -2.66882588 
Hf      10.72492470       7.04147138       0.30120705       4.49501303       0.59422193      -1.67279754 
Hf       1.67238311       9.41934902       7.79272597       3.04816609      -3.43850727      -2.92711852 
Hf       7.32684779       3.58645832      10.48560448      -1.44635041      -2.05799571       0.71801378 
Hf       8.95511854       5.44706968       2.49576498      -1.96660770      -0.38468404       0.95656698 
Hf       3.40432928       7.27425504       5.04882581       2.66104386       1.80949313       0.90962234 
Hf       3.73654062       0.23553231      10.37478461      -1.12807817      -0.23247058       2.42118741 
Hf       7.02272752      10.70675724       5.53239524       1.89998243      -0.32481156      -0.89464707 
Hf       5.47317027       1.64269520       2.57653391      -1.42106517      -2.27980510      -1.24638102 
Hf       5.32547101       1.75102528       7.74914409       1.77392955       1.16791526       2.68205641 
Hf       1.95699600       9.41763638       2.55045034      -2.38909917      -4.71080010       1.13030307 
Hf       3.62790892       0.05996493       5.10806176      -2.23115075      -3.34093461       0.11276650 
Hf       3.72144567       3.70915183       0.16744767      -0.78061348      -2.08470265       0.48790025 
Hf       6.98159048      10.74553360      10.55902695       3.10400697       0.74900554      -0.05152233 
Hf       8.84401692       1.65568967       2.15885226      -0.40889865      -0.49749289      -0.50160345 
Hf       5.30636670       5.34507228       8.02498141      -0.61593028       0.01092295      -0.52196726 
Hf       9.24688252       1.51111211       7.83657048      -2.99493460      -0.62525450       2.18276219 
O      10.81790882       8.93370745       1.45766627      -0.18024487       1.06044780      -0.17270450 
O       5.41123008       7.27485795       3.60664472      -0.82907545      -1.58781454      -0.10762999 
O       0.40548770       5.25993430       4.41872838      -0.04038942       1.18775113       0.07189544 
O       0.22760948       1.64695314       3.88193358      -0.78882001       1.19422206      -0.49629427 
O       2.03826344       0.14166732       3.37098884      -0.55497817       2.58534361       0.54098027 
O       1.73330888      10.38390474       0.84369314       2.27119785       2.90051950      -0.96736202 
O       1.72198147       3.60182740       1.01298260      -0.17560360       0.76589637      -0.59279775 
O      10.92836820       1.37276565       9.11472113      -0.28898356       0.16165081       1.09149520 
O       1.87620766      10.88774346       8.91442751       1.25675292       3.33654764       2.61467073 
O       1.72757122      10.83985895       6.14964806      -2.29825426       1.34710478      -0.61039343 
O      10.41371415       1.56545715       6.24741945       2.02998338       1.09262382       0.55704566 
O       1.85467101       3.45356182       3.74367176       0.51838360       0.42058757      -0.54675368 
O       1.83271815       6.95430413       0.93372364      -0.23604905      -1.30612116       1.36939474 
O       2.10358312       6.95258108       9.09710409       0.25730067      -0.00418744      -0.76966251 
O       0.00285557       1.83679049       1.29560792      -2.69315540       0.40376026      -1.83097420 
O       3.45779204       5.10318187       7.08309279      -0.28023124      -0.24353781       0.14889814 
O       3.23753295       1.80705306       7.21688342       2.14472043       0.45689361      -2.49214515 
O       5.52281508       3.51324978       8.45054213       0.65541765       2.43000258       1.32831601 
O      10.67054536       5.29987253       1.55706230       3.41896009       0.30652917       0.28581660 
O       1.89879214       7.16528141       6.47483083      -0.09124248       0.27154924      -2.90125561 
O       0.03458174       8.75045783       6.93794391      -1.81090593      -0.56423834      -2.13343827 
O       3.92349392       1.71334639       4.14935019      -0.19092895       1.92069115       0.18656555 
O       5.16127245      10.53365957       3.48714138       0.51888680       2.13938614       2.46123441 
O       5.35788981      10.84969415       1.03900282      -1.96081496      -0.74908529      -0.26349529 
O       3.61041778       1.79915433       1.40102348      -1.82733995      -1.34966136       1.07483903 
O       3.72671090       2.08551207       9.59730919      -2.25822890      -0.95036158      -1.57872054 
O       5.31303354       0.17998999       9.20160863       0.85119596      -1.77910135      -1.34500413 
O       0.09960132       8.97015948       9.30142515       0.05718649      -1.33563262       1.21166151 
O       4.19248497       5.21576244       4.48012095      -2.50661204       0.62899584       1.04808676 
O       5.90314659       3.42766962       3.31465886       1.20405189       0.29211797       1.37982787 
O       5.48919462       3.04744613       0.58318878       0.51423885       1.69696919       0.70286629 
O       8.98928504       7.08659629       6.01929698       0.98527756       0.90528546       0.06240897 
O       4.42032781       5.29532776      10.03499376      -1.01205112       1.56306951      -0.99821749 
O       4.96793433       2.89218592       6.06765117       4.43079983       1.88953369      -0.83985657 
O      10.66545214       5.55084064       9.68680909       0.12098252      -1.57581083      -1.60231492 
O       9.06790453      10.60824045       6.09425705      -0.46020686      -0.34760910      -0.43462688 
O       1.38231370       3.40098749       6.34732206      -1.06284733      -0.35583624       1.39801413 
O       7.00845240       1.57557743       1.10070693       3.45782348       0.08062395       1.32503270 
O       9.19786471       0.49583416       0.47664794      -0.95582030      -1.11188392       0.94221607 
O       7.56079958       8.99584232       4.39920737       0.40143861       0.99652801      -2.80710247 
O       7.26468520       1.00013840       3.65015602      -0.19334568       1.74817710       1.32803606 
O       3.42298253       9.36667794       6.74347381       0.36907372      -1.11117641       1.88643969 
O       8.90230832       7.11907897       9.01694039      -0.10149726       1.45174072      -3.22687897 
O       7.36682875       1.86001458       8.90858570       0.42288286      -0.14274708       1.67502813 
O       6.94801549       9.01327540       9.25076021       1.10545094       0.67158297       2.31750317 
O       5.43138474       7.14733658       8.98069709       0.23373447      -0.48471312      -2.04921393 
O       9.76710418       7.20747001       3.29429571      -0.22310984      -0.50757268       1.54606333 
O       5.20298567       7.95825248       5.95559260       0.25917110      -1.59894183       1.01500934 
O       7.36329478       9.25310333       1.38688776       0.71725258       0.14513096       1.17359451 
O       8.92807190       7.15253224       0.75497213      -3.54600336      -0.79681359       3.13560760 
O       7.41535178       5.17095646       9.36879876      -0.37687453       1.17127884      -1.37047494 
O       3.75459951       8.91819507       9.44681031      -0.45522440       2.72537651      -0.08443378 
O       9.07322740      10.54483666       8.82783730      -0.16363355       1.50544364      -0.93176407 
O       6.85332585       5.67882972       6.62598287      -0.05256414      -2.18162033       0.77562511 
O       5.00063382       0.33073677       6.53850078       2.94123752      -4.40084992      -3.39770487 
O      10.59963189       5.65923503       6.89679321       4.73017827       0.63821284      -0.99454323 
O       0.41978133       9.13344431       4.27961507      -1.77079994      -0.38981189      -0.53551393 
O       1.83924201       7.36375154       3.58339123       0.72768312      -3.28932924       0.59803870 
O       3.26937481       9.16767129       4.14813253       1.45371543      -1.31778547       0.37821985 
O       3.50895503       4.87236415       1.96606494       3.39673100       0.40705531      -0.87211956 
O       5.51996751       7.49633875       0.70337620      -0.86157446       1.43657570       3.00725116 
O       9.46179475      10.90930136       3.17953366       1.44768084       0.87108974       1.24543110 
O       9.55665575       3.40963528       8.95550891      -2.12163171       0.38054034      -1.32693465 
O       6.61653262       5.38207715       1.10999604       2.02756640      -0.48043556       0.44972876 
O       8.89636885       3.73241142       1.38387922      -1.66683848      -2.17419471      -4.42421934 
O       9.12608582       3.55801830       3.63776632      -0.29986906      -0.40800880      -0.14617531 
O       7.26643104       5.63881929       3.75026706       0.58357434       0.02091602       1.61399601 
O       3.47873893       8.87060001       1.42748767       2.82228982      -0.34138681       1.32686150 
O       9.01026743       3.53783494       5.96049034      -1.99696066       1.66500859       2.64553901 
O       7.23701604       1.68471836       6.53774346       0.09754359      -0.05017457      -1.83787291 
O       1.16850736       3.76396897       8.88810713       2.87496224      -0.32996541      -0.31050770 
O       7.28402100       9.01226865       6.80119322      -1.36572713       0.68067359       0.90921699 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03260016160635266 -0.0028833204279896086 0.007298519874894433 -0.0028833204279896086 -0.01961826440477292 -0.006425590204193299 0.007298519874894433 -0.006425590204193299 0.004713698335099311" pbc="T T T" energy=-1059.38301668 free_energy=-1059.38302881 config_type=crystal 
Hf       1.63934157       1.84053624       2.90154237       1.07293337       0.80160098       1.77390071 
Hf       3.62331420       7.19941746      10.51931000       0.82788770       2.04328393      -0.74024321 
Hf       5.49328450       5.26757698       2.64680966      -0.44863763      -0.00477115      -0.40492685 
Hf       8.80907287       5.50537981       7.80154835      -2.32749343       2.45357908      -2.13152641 
Hf      10.88887062       7.15792128       5.14665735      -1.36706441       0.43560325      -1.07380076 
Hf       0.03958096      10.73849853       9.98763679      -0.34568137       0.74195142       0.71607892 
Hf       7.29183033       3.13292692       5.12006434      -0.56478852       1.64192267       0.71637929 
Hf       7.25789270       6.92301478       4.96260602      -0.24963074       1.00999569       0.75857967 
Hf       1.83326945       5.55650029       2.60272514       0.53952235      -3.15302647      -0.05671713 
Hf      10.79464168       3.72456889       5.42540373       1.43314577      -0.21786609      -1.83695051 
Hf      10.81036364       4.02191857      10.24793791      -5.16760966      -0.20823414       1.10851604 
Hf       1.58966520       5.55798077       7.97502745      -0.83325479      -1.80417848      -3.37638498 
Hf       9.16432686       9.01822050       7.54850779      -1.17284956      -0.19937134       1.87862523 
Hf       1.74754390       1.93965999       7.87542362       2.16891877      -2.79904195      -1.79929311 
Hf       7.30708842       7.33603330      10.43336465      -0.24985977       0.88307191      -0.64070814 
Hf       8.85959602       9.11639020       2.76041050       4.02177553       4.78916326      -0.82855223 
Hf       5.24316154       8.79289743       2.44621609       0.28932269       3.27039254       0.42752367 
Hf       5.41482475       9.18471357       7.98559767      -1.26879777      -1.67579238       1.54032717 
Hf      10.90938058      10.73021864       5.38167549      -1.12951849      -0.13747766      -2.86611296 
Hf       4.09067010       3.63774708       5.17791342      -3.47144745      -1.60738092       3.27448585 
Hf      10.94279123       7.21620424       0.18230999      -4.31246545       0.78383592      -2.81372579 
Hf       1.96467802       9.07347314       7.55167863      -1.07885029       0.14174760       2.82462712 
Hf       6.63690366       3.53421781       0.13562232       0.48381506      -0.51725273      -2.10825984 
Hf       9.15157934       4.80917159       2.55482672       2.54399739       3.33393447       1.03128393 
Hf       3.47335581       7.12495862       5.37069797       3.09057826      -0.91098629      -1.15823185 
Hf       3.61418632       0.16946642      10.47422582      -0.45374236      -1.12400238       0.63069502 
Hf       6.82191150      10.61304893       5.64884476       2.83086709       1.90303657      -4.07174255 
Hf       5.24025918       1.68958962       2.88582728       1.42285367      -1.28797254      -2.45584363 
Hf       5.69270123       1.71014351       8.03841116      -1.22909333       3.28824505      -1.57449572 
Hf       1.54759712       9.14227649       2.25008585       0.14922622       1.53287593       0.88384660 
Hf       3.38940195      10.71876075       4.88670964       4.69286118       3.11119393      -0.47388204 
Hf       3.39230168       3.66587333       0.24540714       1.51881370      -1.44970810      -0.92588200 
Hf       7.32101854      10.84391530      10.58698324       0.95168034       0.14753792      -0.67743884 
Hf       9.22596762       1.75543178       2.08593647      -2.74378891      -1.52536399       3.35213405 
Hf       5.20847484       5.44244548       7.83250659       3.04747802      -0.80566720      -2.19749432 
Hf       9.35473502       1.92825721       8.11884112      -2.40446322      -1.49884851      -1.01064346 
O      10.57080380       9.02346754       1.14914966       0.94814976      -0.39606841       0.93421756 
O       5.59851644       7.08266210       3.49299775      -0.53594322       0.17165856      -0.05230698 
O      10.40878845       5.23153645       4.13125315      -0.63476711       0.90011630      -0.49453036 
O       0.66896712       1.63072248       4.98835572       0.86990916       3.10205057      -3.08566122 
O       2.01505140      10.83878899       3.41414237      -1.70537984       0.90082002      -2.41872409 
O       1.63622985      10.76225201       0.58816188       0.03329100      -0.10734566       1.71576395 
O       2.49931504       3.62689056       2.13924887      -0.95045051      -1.49477555      -2.00803992 
O       0.06511479       2.13003955       9.42348507      -0.73229120      -0.84872249      -0.02648953 
O       1.84125177      10.83245390       8.47472523      -1.51514046       1.35559221       0.25071060 
O       1.90851175      10.29129827       5.88174932      -3.52578379      -0.81597030       2.87925209 
O      10.82594724       0.96570479       7.02253045      -0.69176846       1.75090774       2.59962848 
O       1.68770716       4.45271868       4.33861782      -0.96086486      -2.68111693       1.14729238 
O       1.69484412       7.45438428       0.97797333       2.20337088      -0.90560945       0.95001830 
O       2.15686948       7.00603946       8.95636253       0.26484171       2.73515088       1.47375530 
O      10.88494322       2.67788853       2.13636873       3.43407921      -0.02804728       0.02459033 
O       3.47542441       5.20242395       6.67418060      -2.29243015      -0.09687644       0.73433204 
O       3.59974225       1.94410659       6.76130662      -2.80780029       0.89573512       1.31757111 
O       5.02091930       2.91122032       9.67825264       0.34092274      -0.64761481       0.80593957 
O       0.08748245       5.45233415       1.42835021       1.19759413      -0.28845487      -0.65518963 
O       1.78642368       7.11906221       6.32631533      -2.13208259       0.07510954       1.00858808 
O      10.87889715       8.94502313       6.68164195       2.67978403      -1.01586183      -0.22524497 
O       3.57005566       1.85962532       4.07135746      -0.83274861       1.10968254       0.91089991 
O       4.96675404      10.69804317       3.35524453       1.88168558       0.80290020       0.02214034 
O       5.58458293      10.65382662       0.73534526      -1.07664873      -0.36585268       0.11333889 
O       3.79937350       1.42866952       1.47399805      -2.23148629      -0.10250158      -1.36156125 
O       2.77809638       1.92940057       9.52675644       0.48686669       1.06957103       2.52675064 
O       4.99005865       0.16668765       8.92162313       0.64480215      -1.07902018      -0.63447381 
O       0.10315326       9.02104495       9.25760996       0.43840777      -4.08787877      -0.77345841 
O       3.88296778       5.26463530       4.18153140       0.67043093       3.42066869      -2.35461152 
O       5.64494293       3.58885451       3.81440712       0.22852652      -0.12047815       1.27196081 
O       5.04646025       3.53126035       1.50055439       1.07881248      -0.06246896      -0.49710634 
O       8.82748936       7.50585371       6.17376462       0.09010955       0.13614824      -1.91878219 
O       4.10204385       5.41089319       9.32707324      -3.33640697      -0.17895153       4.36353599 
O       5.44470044       3.51597531       6.70069294       1.74135041      -0.41130622      -1.29320824 
O      10.57596638       5.73239065       9.12456932       2.03935952       1.71657086       0.69118052 
O       8.98623424      10.33597816       5.99223980      -2.08978046      -0.12242992      -0.30191823 
O       1.05094641       3.59624039       7.02391583      -0.35846355       1.13156268       0.66044707 
O       7.06677196       1.71470187       1.81765285       0.96863506       1.07057782      -2.46062164 
O       9.25951325       0.59557287       0.57276312       0.93122094      -1.49845592      -0.78215163 
O       7.23619050       8.93532368       3.66879259      -3.36578242       1.80328562       2.87204034 
O       6.86764973       1.47576104       4.22373927      -0.31184609      -2.51264927       2.15750838 
O       3.71990481       8.86360614       6.64960231       1.13507375      -1.17346053       0.35423822 
O       8.48910661       7.33797667       8.64957536       0.06898214      -0.74530731       0.51675311 
O       7.51898338       1.78479145       9.46205049      -0.91025428      -0.01384824       0.59704361 
O       7.14157613       9.36647679       9.18311949      -0.83664930       0.67452363      -0.11824070 
O       5.75881510       7.30988177       8.73257265      -0.87373502       0.22345493       0.33851119 
O       9.13570004       7.44441575       3.28875397       1.48033818      -5.47583927       2.05576545 
O       5.38837598       6.63450199       6.24232475      -1.08818377       1.36034273      -2.74920759 
O       7.74422987       9.03749298       1.18219841      -0.79566388       0.03202918      -2.80954417 
O       8.95916667       6.49085437       0.49174282       0.39951725       0.55317441       0.90487885 
O       6.67409424       4.46244574       8.81207013       2.03945367       1.01360589       0.84560638 
O       3.39581658       9.22158051       9.40072116       1.46778030      -1.96442244      -0.28607402 
O       9.27189638      10.66477878       8.80628583      -0.21557135       2.36487117      -0.26182005 
O       7.45155106       5.30368007       6.04200190       0.73157474      -0.91085291       1.72674568 
O       5.07016838       0.20184458       6.17538640       0.57922713      -0.78859850       1.34989874 
O      10.33835692       5.65497610       6.55942588       2.85029934      -1.17871991       0.14311889 
O       0.27387502       8.86896625       4.06210385      -0.80285973       1.86777706      -0.23198072 
O       1.49846636       6.96930059       3.79532350       1.84355343       1.45383643       0.38223898 
O       3.59845098       9.06466210       4.00679872      -0.22819803      -6.57301440      -0.07320566 
O       3.64378636       5.63790534       1.34140818      -0.69179374       1.25796595       0.09385015 
O       5.52250744       7.77629490       0.66676025      -1.46190952      -0.15356699       0.37697173 
O       9.89308777       0.19046075       3.46188720      -1.12674471       0.23792747      -1.33464268 
O       9.20796374       3.94454708       8.76629879       1.35253747      -4.59611726       1.49498012 
O       6.39638637       5.48169820       0.79590526       1.69627609      -0.48226683       0.14552328 
O       9.13578835       3.74993674       0.91906975      -2.55125738      -2.08002103      -1.43018953 
O       8.74227085       3.19664669       3.75381757       1.73022957      -1.00196075      -2.55445121 
O       7.65693103       5.31057139       3.60238631      -4.50314434       1.49382043      -0.47757695 
O       3.51013203       9.00911759       1.41887605      -1.01443791      -0.37713187       0.32512898 
O       8.91691530       3.21647355       6.11632593       3.29075802      -1.13360640       3.84038412 
O       7.38822845       1.21270134       7.05096186      -0.10530356      -0.23474346      -0.95281859 
O       1.57594566       4.40467837       9.64385539       4.53383074      -0.66213078       0.83191741 
O       6.47489762       8.77133843       6.27875331       0.74917835       1.36301612       1.16267228 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03247534353860421 -0.003566859225012604 0.0024038728939115976 -0.003566859225012604 -0.02041942651969573 -0.005667521322003802 0.0024038728939115976 -0.005667521322003802 0.0031829784705344265" pbc="T T T" energy=-1058.84981653 free_energy=-1058.84982654 config_type=crystal 
Hf       1.64504625       1.82001916       2.89187168       1.38867923       0.88994656       1.68363850 
Hf       3.59976406       7.18743455      10.55730548       0.65421495       2.39053784      -1.92949252 
Hf       5.53263166       5.27239017       2.61367928      -1.61087983       1.23774786       1.53007345 
Hf       8.78934999       5.49259142       7.80662253      -0.70532456       2.12459300      -1.61674113 
Hf      10.86067973       7.16836826       5.15845236       0.62321898       0.71413650      -1.63717884 
Hf       0.06928574      10.74776172       9.98377049      -0.21158124      -0.28597043      -0.32553940 
Hf       7.31014876       3.18201714       5.10351988      -0.78322497      -0.29833978       0.34334880 
Hf       7.25923667       6.92733703       4.97719262      -2.47520763       2.19278178      -2.34055448 
Hf       1.78695362       5.55418791       2.61106933       1.67662422      -4.08342289       0.27233830 
Hf      10.80290721       3.72973015       5.44072522       1.86447718      -0.87449739      -2.84668998 
Hf      10.81062582       3.98268929      10.24275351      -1.95652424      -0.03383867       1.57763699 
Hf       1.55577205       5.54579156       7.99908492       0.31876242      -1.30813842      -2.68862289 
Hf       9.14466961       8.98934443       7.53040320       0.77869540       1.18949588       1.83912846 
Hf       1.76931030       1.94268713       7.86856686       1.89343119      -2.23929555      -0.85092994 
Hf       7.30350756       7.32834657      10.44487479      -0.60794191       1.85967599      -1.19313513 
Hf       8.87935561       9.11800906       2.78544935       0.98455881       2.28315079      -0.20381070 
Hf       5.22998048       8.83961929       2.42748737       0.16553621       2.35788798       0.80197520 
Hf       5.41288323       9.17049454       7.96522613      -1.83419896      -1.59802671       2.20018652 
Hf      10.90999729      10.70530579       5.36759472      -0.22989379       1.71785456      -1.86473401 
Hf       4.11555336       3.62591373       5.17380818      -5.90964683      -0.13573459       1.50435716 
Hf       0.01680179       7.22691592       0.18381697      -6.95021615      -0.13755090      -4.57874637 
Hf       1.96047825       9.05325757       7.59189186       0.52454612      -1.88141623       2.61357572 
Hf       6.62327615       3.55411588       0.12956964       0.51001983      -1.71455867      -2.18247327 
Hf       9.15267209       4.80490335       2.56837062       2.68668349       3.50996483       1.02538221 
Hf       3.47839886       7.13655368       5.38613510       3.14939134      -1.10449775      -2.11870242 
Hf       3.60369452       0.16724367      10.44738270       0.07136252      -1.39626685       0.34045203 
Hf       6.81330315      10.59996046       5.66612284       4.16185695       2.93567630      -5.03934482 
Hf       5.27943795       1.68827468       2.88878990       0.44831642      -0.26614144      -3.19718430 
Hf       5.72487045       1.72144583       8.04346312      -1.90101707       1.55959380      -1.24658931 
Hf       1.54658139       9.14675596       2.19954124       0.82421489       2.21132785       1.48075934 
Hf       3.38827129      10.71684443       4.86172915       2.23314602       2.19540613       0.95858753 
Hf       3.38842840       3.67381117       0.27529206       1.53198591      -1.70128952      -2.06447239 
Hf       7.30031323      10.84442410      10.54486594       1.02463735       0.04416329       0.15184596 
Hf       9.23166058       1.74889017       2.06779733      -0.95287463      -1.83092569       1.47462616 
Hf       5.23254408       5.46907108       7.85411939      -0.43937808      -0.78452304      -0.50095755 
Hf       9.32805497       1.93718569       8.11621958      -1.56979253      -2.16769224      -1.31542930 
O      10.57684144       8.93083730       1.26393265       0.57104581       0.35371064       0.48095885 
O       5.63008089       7.09215986       3.61017652      -1.30170297      -0.27129702      -1.56852752 
O      10.39939291       5.27393924       4.19407819      -0.51647799       0.31751114      -1.81074464 
O       0.79329843       1.77498978       4.90867309      -0.77946010       0.68077104      -1.90119784 
O       2.05970105      10.88391566       3.37015893      -2.06929673      -1.01361875      -1.84818169 
O       1.73010337      10.76537491       0.66963040      -2.67370645      -0.32849628       0.57434251 
O       2.37738254       3.60432778       1.95131327      -0.39866383      -0.78325817      -0.51943732 
O       0.08622449       2.15998252       9.39016273      -0.61033869      -1.70503538       0.15496656 
O       1.69898373      10.72062842       8.45399953      -0.47344009       5.19302442       1.42678371 
O       1.82289850      10.18445328       5.86573333      -0.10244073       0.93218030       0.88256231 
O      10.87048656       1.01743442       7.04855332      -0.60655108       1.34785103       1.33929544 
O       1.79030857       4.41704660       4.36423945      -1.86129678      -2.25636521       0.46496981 
O       1.60946302       7.43158397       0.97387840       5.71555244      -0.41785234       2.43189556 
O       2.08632446       7.03868132       8.93531328       0.03179237       2.01750667       1.85645200 
O       0.05883175       2.66095143       2.07138526      -1.21917193      -0.51601864      -0.69554939 
O       3.38658363       5.27688038       6.67583522      -1.03814310      -1.22741863       1.23204488 
O       3.60788662       1.99266852       6.75945717      -3.33625325       0.24769902       1.05454068 
O       4.97882108       2.73206047       9.70106428       2.05005108       0.88838881       0.50600961 
O       0.09839343       5.46029499       1.44993229       0.12034567      -0.14654078      -0.57481685 
O       1.87043965       7.18659828       6.36041178      -3.96148879      -0.52612262       1.02131233 
O       0.12191464       8.91563662       6.80259741      -4.07340728      -1.14804450      -1.66912636 
O       3.41009762       1.84580772       3.94937459       2.07796288       2.09183144       1.77556055 
O       4.92042550      10.83364120       3.39419471       1.33963342      -1.79094235       0.13018940 
O       5.53288156      10.57854915       0.71105246      -0.02743582      -0.60752054       0.08158903 
O       3.84561604       1.36894705       1.33009584      -0.85090666       1.48463857       1.30827915 
O       2.84699778       1.97143907       9.59411687      -1.92610832      -0.17182872      -0.02425914 
O       4.93537167       0.09465907       8.85102722       1.43784674      -0.46072405      -0.85807927 
O       0.17436058       9.01164821       9.17804956      -0.83739671      -2.90288243       1.63474685 
O       3.91054601       5.29932616       4.14038016       0.87118290       2.10927276      -1.42659140 
O       5.60578640       3.60845578       3.81321189       1.21008742      -1.33424315       1.18380996 
O       5.14912323       3.50505809       1.45564952      -0.56166330       0.08385825       0.68382484 
O       8.65677877       7.49685796       6.16671101       3.31993397       2.42902437      -0.66718085 
O       4.02069445       5.46335402       9.39791521      -0.94115895      -0.44378750       1.57483601 
O       5.39425464       3.46363061       6.64230859       3.48585565       0.60552656       0.14436890 
O      10.58254064       5.66895081       9.20990744       1.86866923       2.70762193      -0.32650346 
O       9.01276233      10.50069811       6.01699421      -1.40332305      -2.20028971       0.03484974 
O       0.86214188       3.60033706       7.07318922       1.14459516       0.51395391       1.94815655 
O       7.04323015       1.70172153       1.69515597       1.53323774       0.82988853      -1.16107045 
O       9.29593735       0.49578858       0.47458793       0.82406060       0.48157428       1.80381258 
O       7.05545189       8.92771572       3.63457815       0.70825441       2.53418803       1.73417523 
O       6.86387539       1.36431759       4.31475093      -0.32534178       0.50226706       0.79057111 
O       3.73786389       8.90775772       6.65191731       1.76172099      -0.56742458       0.61372370 
O       8.52598155       7.36056619       8.59797986       0.22417177      -1.80837800       0.76251521 
O       7.49436601       1.79462129       9.49603597      -0.59961826       0.16349444      -0.41873647 
O       7.31228124       9.34674372       9.23549473      -2.62764397      -0.47859177      -0.95676745 
O       5.79082513       7.25410740       8.77391043      -0.52058127       0.86324905       0.16912415 
O       9.10982252       7.34967911       3.27496114       0.85672964      -2.44950708       1.75696290 
O       5.29984032       6.65903171       6.30513311       0.35154491       1.28779141      -2.46308726 
O       7.75067944       9.08406891       1.19366008       0.01965379       0.10312875      -1.64189888 
O       8.90542607       6.54138322       0.48503103       1.35727775      -0.27161560       1.27900069 
O       6.61683928       4.48405141       8.91266511       2.46490437       0.79373795      -0.18508185 
O       3.29389160       9.12123790       9.48168395       1.95343580      -1.15107385      -0.53571676 
O       9.16815971      10.66095361       8.82802894       1.52740254       2.25040976      -0.90516281 
O       7.52415998       5.44650972       6.07522221      -0.04118667      -4.42294420       2.81904175 
O       5.17764597       0.23828434       6.26758022      -2.17198275      -0.33462698       1.14531350 
O      10.30785224       5.68307934       6.46404282       1.78350254      -0.72125650       2.37894884 
O       0.29551827       8.94648762       4.11109110      -1.47018919       0.48851223      -0.53268724 
O       1.61893646       6.92358580       3.85750920       0.19176413       2.64416386       0.97913184 
O       3.58721177       9.02566904       4.02575681       0.34769887      -4.92003919      -0.44800623 
O       3.63008040       5.66574804       1.29941141      -0.85269006       0.60258544       1.42850270 
O       5.58965994       7.76159096       0.71658231      -2.73513596       0.24379594       0.93704178 
O       9.82250122       0.24467958       3.44374891      -0.77960627      -0.05898068      -1.36947677 
O       9.31208244       3.92929402       8.78709634      -0.53632863      -3.87227640       0.28621653 
O       6.31848921       5.48499157       0.84484245       2.90205686      -0.09456568      -1.41539232 
O       9.16499156       3.78872296       0.88949860      -2.68601880      -2.11897022      -0.49207219 
O       8.73964941       3.11964047       3.75322373       1.98534586      -0.26754292      -3.02922502 
O       7.59625692       5.27939851       3.56512901      -3.52909265       0.60998888      -0.04858261 
O       3.44335971       9.06232946       1.38757471       0.00243895      -1.25457806       1.00252369 
O       8.93648293       3.21490388       6.15275651       1.85531430      -0.67870982       3.22969262 
O       7.37533959       1.19903614       6.94981087       0.51085226       1.04722868       0.90933540 
O       1.69634695       4.38180191       9.68273627       1.51380897      -0.51858169       0.50567739 
O       6.46162585       8.84129852       6.34450186       1.16873390      -0.78314425       0.88032159 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011485403164110383 0.003801987958704834 -0.0069994819200397615 0.003801987958704834 -0.017298086690443363 -0.005300804848693496 -0.0069994819200397615 -0.005300804848693496 0.004489013593525532" pbc="T T T" energy=-1059.98837422 free_energy=-1059.98838066 config_type=crystal 
Hf       1.91055921       1.66920949       2.56126333       1.06460300       0.35150452       1.27936619 
Hf       3.55955137       6.99866618       0.36014825      -2.12313112       4.59494880      -5.10741788 
Hf       5.45618200       5.82905719       2.44688678       0.16247847      -0.34576266       3.35581732 
Hf       8.91597604       5.11899313       7.95900625      -1.82156816       1.59732907      -0.53824939 
Hf      10.83900131       7.23441804       5.35369922      -0.89122535       2.66736222      -0.98954664 
Hf      10.74960791      10.94840826       9.98805196       1.87473778      -2.21168561       2.74511147 
Hf       7.59649598       3.75435617       5.02829207      -1.57100011      -1.20670455       1.38787506 
Hf       7.09428686       7.17343815       5.02603319      -3.18496276      -1.05632052       0.83384726 
Hf       1.56252566       5.30067681       2.97653931       3.31722444       0.34486309      -1.11356183 
Hf       0.10228237       3.34073376       5.43279577       0.13305349       2.25420067      -0.08762505 
Hf      10.73390808       3.41943191       0.07326272       1.94942939       0.10186489      -1.80210057 
Hf       1.27495969       5.40323133       8.02544739       4.78048351      -1.10722290       1.09296394 
Hf       8.71870811       8.94407927       7.71195216       0.67917558       1.57578003      -1.36332787 
Hf       1.80248802       1.66235947       7.84777122       2.37348010      -1.00417214      -0.88940111 
Hf       7.24833764       7.43341954      10.61987288      -0.86252555      -2.33424473      -3.06398655 
Hf       9.07777709       9.00037164       2.74364294       0.26594738       3.71431533       1.71625327 
Hf       5.40206550       9.20874764       2.30785096      -1.04271635       2.16443689       1.55199755 
Hf       5.21380066       8.93500781       7.94363045      -1.51192284       0.57998587      -0.19382002 
Hf      10.92530315       0.07820787       5.09816733      -0.90162799      -1.41707190      -0.01530962 
Hf       3.79363026       3.68710595       5.39768861       1.94903973      -2.51807492       2.12183507 
Hf      10.76221969       7.09452460      10.61395433       2.58094734       3.35372889       0.48616611 
Hf       1.75836974       8.61814923       8.23095740       0.88269194       0.01637554      -0.44548840 
Hf       7.25933100       3.56745613      10.41656742      -3.09482972      -0.87221225      -1.20476376 
Hf       9.07243593       5.33752567       2.52314125       0.13076910       0.00449590       0.14403999 
Hf       3.35294389       7.19804062       5.32270346       0.43281262       0.84094481       0.94229204 
Hf       3.60408357      10.94650893      10.41908915       0.78931869      -2.35708924      -1.93060795 
Hf       7.24985220       0.01499044       5.10721367      -1.31562023       1.73622500       1.35280485 
Hf       5.73492587       1.87666485       2.61051546      -0.88226067       1.26380354       0.27670773 
Hf       5.55625181       1.96338105       7.65618487       2.72792180      -1.89964153       0.64736070 
Hf       1.47620585       9.16334685       2.19466965       0.65883723       1.72995714      -0.53382418 
Hf       3.52635217      10.79302216       5.02358927       0.43916924       3.75883284       3.22196383 
Hf       3.54575251       3.40139483       0.15574589       1.06470872       0.39492634      -2.34240718 
Hf       7.15708402      10.84306906      10.39189454      -1.81873566       4.13708791       0.07145564 
Hf       9.06436958       1.42924811       1.99971009      -0.59430338       1.23143264       1.52838887 
Hf       5.23392837       5.41741650       8.05842950       0.53683414       0.74367421       0.72174700 
Hf       9.09175837       1.73854727       7.65593541      -4.49384852      -1.66022429       0.49486060 
O      10.39552873       9.26143625       1.32531375       1.73249669      -0.14608576       0.40413195 
O       5.77586658       7.64024899       3.43663769       0.91986216      -2.95372021       1.02439714 
O       0.11431907       5.57494844       4.13879092      -2.57357519      -0.38259286       1.91903580 
O       0.32476411       1.89794875       4.05772353       0.49373828       0.41210607       0.60249879 
O       1.83652547      10.82352684       3.39233718      -0.50061052      -1.38913289       1.05820048 
O       1.79758784      10.52922567       0.52789768      -2.59409322      -0.73826023       0.87137143 
O       2.52709705       3.67567763       1.88959758      -0.99865279      -0.35098093      -0.05369845 
O       0.13843311       1.92299197       9.32926101       1.07724551      -1.90994488      -1.15392896 
O       1.78754743      10.54911969       8.38849141      -1.37740113       2.71963271       2.73658296 
O       1.70643491       0.24926960       6.26638063       1.04552305       0.64331876      -3.32290688 
O      10.71671581       1.57863744       6.68290988       2.83510086       1.40108047      -1.21831266 
O       2.15984196       4.23587018       4.66890039      -5.29676756       0.31760773      -2.73811157 
O       1.23961761       7.45959386       1.34762540       0.47195329      -3.31683947      -1.23610249 
O       1.95415029       6.83429101       9.50415238      -2.09749331       0.63468135      -1.25189095 
O       0.19445059       1.43599448       1.23112890      -1.35668865       2.74854200       0.03856499 
O       3.45240520       5.56773446       7.15592940       0.94658739      -0.77277268       0.15842687 
O       3.81335938       2.07859226       7.03778306      -4.97539765       0.77582189      -2.37252540 
O       5.40106357       3.62751297       9.00602249      -0.07726312      -0.70213373      -0.90975743 
O      10.93355116       4.85166673       1.63615981       0.09611523       0.23888821      -1.17371088 
O       1.55904998       6.95251304       6.58211486       0.77629523      -0.96986446      -0.62622010 
O       0.13627752       8.69267380       6.70181749      -1.81719320       1.56134568       1.84859043 
O       3.24328912       1.85007979       4.18017163      -0.78953000      -1.25363942      -0.07069842 
O       5.55020398       0.14485256       3.44281027      -0.17861549      -1.27525773       0.51138013 
O       5.38807030      10.67675577       0.86523451       0.42323414       0.01767333      -1.44048158 
O       3.44034363       1.32951213       1.30922537       1.22094680       2.17337950       0.64657291 
O       3.49140670       1.73084509       9.33787039      -2.15211782       1.41040039       1.90545601 
O       5.03692196      10.80484138       8.77278280       0.62817329      -0.30563460       1.07584146 
O       0.06671886       8.85468248       9.61307795      -0.60910987      -0.60654457      -1.59426455 
O       4.16435051       5.51933589       4.61877041       1.86426098       2.44136520      -0.90666822 
O       5.03065326       3.31421246       3.94749017       4.01779025      -0.28699972      -3.62654765 
O       5.56929065       3.55392623       0.84692616      -4.52046897      -2.58546913       1.48231055 
O       8.61310290       7.87974299       5.76196421       4.84573127      -0.61741819       3.67654398 
O       3.92047992       5.43506103       9.93270548       1.00625883      -2.47746663       0.73962428 
O       5.80086269       3.57009740       6.32943802      -0.61150316       0.74596150       0.40143784 
O      10.59137347       5.74844470       9.24551948      -1.44645853      -1.77782881      -0.31320448 
O       9.03836212      10.86037154       6.05417668       1.76487426      -0.55114702       0.59220956 
O       1.62000697       3.60406615       6.95479034      -0.65413115      -2.04825990       0.58966584 
O       7.11732590       1.62103267       1.14067346       0.79664874      -0.45285270       0.91063260 
O       9.03724219       0.18497760       0.47683341       0.44099516       0.59600069       0.32061753 
O       7.60096110       9.23683586       4.30294732      -1.50065117      -0.57273903      -1.09024937 
O       7.66771842       1.81634134       3.72029838      -3.26083365       2.16109418       0.07299558 
O       3.44450800       8.89203071       6.70770191      -0.59074791      -0.26280601       1.72393096 
O       8.30597992       7.21049693       8.48381579       1.60832106      -0.60302173       0.08083032 
O       7.07830885       1.56130691       9.14050549       0.97516770       0.99805569       0.77528386 
O       7.49913374       9.11884204       9.78087202       0.59892450      -1.57673287      -2.21929801 
O       5.50452152       7.21169234       9.14355750       0.57084468       0.64666985      -0.32175145 
O       9.32024696       7.25298605       3.34325108      -0.69227370      -4.67624878      -0.17076431 
O       5.56866309       7.38071132       6.57907560       0.67444978      -0.70577582      -2.57481819 
O       7.51891655       9.30487109       1.58378244      -2.08075243      -1.06947294      -0.72336063 
O       8.94924590       6.64205517       0.61663091       0.43282645      -0.31255416       1.69887820 
O       7.33405004       5.21196904       9.28392173      -0.05385162      -0.40993895       0.74124848 
O       3.34029015       8.90263218       9.61430028       1.22062404      -0.38073270      -0.17631432 
O       9.12893142      10.85153421       8.74913965       1.39326443      -0.07251804      -1.15332340 
O       7.38160905       5.36757283       6.44828182       1.24137215       0.98773489      -0.79182733 
O       5.35555574       0.15158645       6.17168559      -1.13465301      -0.13706071      -2.29842761 
O      10.68450429       5.09544168       6.92103700      -1.41311379       1.84587983      -2.49089238 
O      10.66033306       9.08039163       4.20802291       1.96555737       0.29988607      -0.15002108 
O       1.97478427       7.12052889       3.71784244       0.21687443       2.10109127       2.51947038 
O       3.90756466       9.14368642       4.32419352       0.38123045      -3.20298835      -1.64723016 
O       3.57812322       6.20951130       2.06094057      -1.03770116      -2.43088417       1.18445968 
O       5.51670722       7.51003255       0.96770572      -0.26787048      -0.64170177       1.07817335 
O       9.30421154       0.33491966       3.57438294       1.57653554      -3.05546894      -0.94298612 
O       9.20343507       3.33969798       9.03281299      -0.28350883       0.96215774       0.44824723 
O       6.85823370       5.14559617       1.38017437       4.06188988       1.71723875      -1.56316998 
O       8.87363482       3.33488983       0.95558887       1.93606376       0.97342465       1.36712030 
O       9.50768878       3.80469998       3.82012467      -1.83976655      -0.01989934       0.28887384 
O       7.36028703       5.39517943       3.66402314      -0.80602043       0.12583328       2.79522006 
O       3.51536341       8.99449944       1.72363488      -0.70339367      -0.35052245      -0.28488732 
O       9.06792140       3.50304515       6.41166386       0.31855076      -0.61556287      -0.30184623 
O       7.35415299       1.64751233       6.49702057       0.79117905       0.89397916       0.50592816 
O       1.63823249       4.11030993       9.81476344      -0.63579348      -1.32265613       0.54871983 
O       6.98603292       9.73610867       7.32873993       0.83265381      -1.32737574      -0.79761431 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013160974493231102 -0.0021548595736443294 -0.005688293894495456 -0.0021548595736443294 -0.017502262307384185 0.0003175424440695971 -0.005688293894495456 0.0003175424440695971 -0.0056687662534140515" pbc="T T T" energy=-1061.76566528 free_energy=-1061.76566761 config_type=crystal 
Hf       1.98541499       1.61359552       2.55731040      -0.18146526       0.32309999       0.64000951 
Hf       3.54436307       6.99747866       0.32010934      -1.71165160       2.92007765      -2.31579334 
Hf       5.42656629       5.87281129       2.50586540       1.73684171      -1.58287629       2.65791070 
Hf       8.91938664       5.12786695       7.96955288       1.33481636       2.40578589      -0.76103307 
Hf      10.87350778       7.24881225       5.37193274      -1.09143751       3.24689108      -0.10553872 
Hf      10.70838958      10.88442631      10.06148889       3.86468924      -0.27078292       1.47616750 
Hf       7.56739871       3.81810267       5.06283929       0.11354878      -0.68833819      -0.57148132 
Hf       7.07632910       7.17986713       5.10741402       1.23715004      -0.07344518      -0.39079904 
Hf       1.59346913       5.38248603       2.96977438       0.82628562      -0.98522817      -0.25163938 
Hf       0.04053446       3.31949248       5.40132267       2.32739527       2.30901622       0.52862824 
Hf      10.74288991       3.40822349       0.12622979       3.85762651      -0.93556679      -2.51872129 
Hf       1.31288279       5.34162618       8.00822299       2.28920930      -2.81282630       1.00719431 
Hf       8.72520009       8.93076697       7.70660694       2.22350462       3.67409579      -0.87057617 
Hf       1.89526387       1.53618272       7.80388429      -1.98356246       0.71992239       0.67820077 
Hf       7.22697026       7.37107190      10.56194036       0.35626573      -3.61841058      -0.43695994 
Hf       9.10215036       8.99900762       2.70713976      -0.89724059      -0.63887839       3.11865421 
Hf       5.43318350       9.19687090       2.35763720      -0.63424711       0.64635919       1.59491080 
Hf       5.18153064       8.94445802       7.88853460      -2.35186610      -0.38518235       1.39226068 
Hf       0.02382700       0.14696718       5.04143674      -0.09940396      -2.24081809       1.33628609 
Hf       3.81455523       3.63052839       5.45629692      -1.27853653       0.51730811      -1.99416868 
Hf      10.78367658       7.11778288      10.58475456       0.45151011       0.89893311      -1.07010519 
Hf       1.67367055       8.65068702       8.24228802       0.62802354       0.45231884      -0.45681917 
Hf       7.35070042       3.56670531      10.36152993      -3.22282202      -2.24372200       1.81271778 
Hf       9.03512681       5.37035883       2.49012715      -1.52971036      -0.96984926       0.18847288 
Hf       3.32380159       7.22498394       5.29204645       1.07661794       1.55953642       2.26730148 
Hf       3.59972746      10.91775392      10.42230315      -0.12882777      -2.93554966       0.10827289 
Hf       7.25450685       0.07631084       5.00995779       1.22896661       0.85644221      -0.27558487 
Hf       5.69366437       1.89722127       2.60801180      -0.34482240       3.41207803      -2.61928818 
Hf       5.44813526       1.96711145       7.58776281       2.21154148      -3.98420906       1.74518703 
Hf       1.45219490       9.11493568       2.25739042       0.76943542       0.29673849      -0.03878129 
Hf       3.55519001      10.87863859       5.11156582       1.62415400      -0.42760765       0.73872259 
Hf       3.56440904       3.35345236       0.05550230      -0.73681566       0.14474598      -0.42478941 
Hf       7.09580799      10.91378861      10.41133998      -1.12927429       0.56097078      -0.74124768 
Hf       9.06843305       1.45513001       2.07596073      -0.21263731       0.86319857       2.79740134 
Hf       5.24452720       5.34071190       8.07303225      -0.67368006       5.12367365      -1.05781971 
Hf       9.03721042       1.70271447       7.58675072       1.01185613      -1.64564556       0.06818135 
O      10.48228140       9.17672095       1.42936411       2.05433550       0.83585324      -1.59257205 
O       5.81799777       7.61929564       3.60378753      -0.63805496      -1.53717610      -1.25373236 
O       0.23109294       5.54431612       4.40187982      -1.78781346       0.01714525      -0.84893454 
O       0.35422720       1.76974328       3.93833605       0.39486184       2.23114788       2.07716243 
O       1.77886513      10.68137636       3.38813246       1.01485373       1.55698560       0.96636997 
O       1.76275510      10.61028988       0.37747937      -2.72834856      -0.54825360       2.74415807 
O       2.22935964       3.69301747       1.71432409       0.46920697      -1.18822706       0.66555581 
O       0.20292123       1.74362768       9.18346939      -0.68388616       0.89107345       3.02532080 
O       1.67666614      10.64942143       8.54055062      -0.45592473      -0.53681045       0.13206754 
O       1.96311920       0.42795549       6.06307539      -1.31812777      -0.90548143      -0.19697904 
O       0.05276070       1.63587323       6.86001687      -2.36656423       0.52783661      -3.18614315 
O       2.05627708       4.25897398       4.77159406      -0.10053511      -0.49825316      -3.55079972 
O       1.24077741       7.41869950       1.28480110       1.38656279      -3.44358110      -0.70482114 
O       1.70953020       6.80042514       9.37223204       0.62577850       1.38236595       1.95382616 
O       0.13186433       1.59660035       1.53741948      -1.09144253       1.62194314      -2.43427098 
O       3.50694954       5.65400507       7.09608249       1.84413116      -2.40634180       1.34789840 
O       3.58567563       2.24546069       7.04993127       1.33672376       0.30362586      -1.95724907 
O       5.26070308       3.64711063       8.75181964       0.48397205      -3.90848718       2.48357372 
O      10.83814280       4.81747624       1.53875055       1.07435427       1.78296821       1.04149547 
O       1.73251293       6.97096492       6.91541405      -1.47472094       1.89329721      -3.88599637 
O      10.92988473       8.76128455       6.80233371       0.31665276       0.16695582       1.33886055 
O       3.28261919       1.73138490       4.24663211       0.64137994       1.53674536      -1.20933647 
O       5.64607786       0.15672492       3.28362579      -0.17418599      -3.02840882       2.02318883 
O       5.35858322      10.52511684       0.80556787       1.37189023       0.39057801      -1.03955121 
O       3.58721067       1.35550240       1.37867409       1.00575218       1.39012319       0.37810211 
O       3.38462525       1.58561203       9.38685350      -1.03604155       4.14324564       0.91874361 
O       4.95816497      10.92882419       8.89178986       1.88960262      -2.08738641      -1.51428346 
O       0.06344159       8.84793654       9.60091720      -0.84878334      -0.21077995      -0.71443153 
O       4.23688383       5.63536694       4.76489811       0.95670956      -0.84062803      -2.12840270 
O       5.29032109       3.46506190       3.74761597       0.20215543       0.52690392       0.53918969 
O       5.40908577       3.49886258       0.85992979      -1.35789679      -1.76676952      -0.06871190 
O       8.71196239       7.96204566       5.95680388       0.70890750      -0.85716016      -0.05735868 
O       4.08296047       5.31639013      10.03062153      -0.65289989       0.11753209       0.23016950 
O       5.67651549       3.47828130       6.37424276       1.61175675       2.33039085      -1.65780748 
O      10.48923835       5.65117777       9.20460941      -0.08814205      -1.07150433       1.51689378 
O       9.21834192       0.08835411       6.13283192      -0.49578460      -1.10869070      -0.72264196 
O       1.49430933       3.59306545       6.88598893       1.95099028      -1.96929877       1.29166905 
O       7.19401429       1.75873644       1.13787845      -1.02931110      -1.71752626       0.47138672 
O       8.98391102       0.22668632       0.53694062       0.68784135       0.01880159       0.20873642 
O       7.62975150       9.25988619       4.05621092      -2.09897331       0.57027343       2.73481789 
O       7.57381958       1.89584793       3.68565932      -1.13649947       0.31620710       0.69512411 
O       3.38941192       9.14587630       6.86604075       0.44332924      -0.83098516       0.81910473 
O       8.66499424       7.29349520       8.52825170      -0.02774196      -3.38380684       1.50106082 
O       7.05868194       1.64939206       9.06559240       0.35422934       0.11904529       0.77614907 
O       7.63290650       9.04088254       9.86870178       0.38789516       2.99762972      -2.18825919 
O       5.64689561       7.13446240       9.17676568      -0.39708552       1.31996249      -1.55603963 
O       9.11438142       7.04911374       3.49414706       1.28109517       1.43585973       0.35641286 
O       5.53555625       7.21526827       6.33167117      -0.46595133       1.78332146       1.38187261 
O       7.50317278       9.23581816       1.54602121      -1.37099014      -0.38449084       0.25779002 
O       9.01161556       6.73092290       0.91091391       0.18596041       0.79416690      -0.82263895 
O       7.44160510       5.27720862       9.55449366      -0.17653047       1.78063739      -1.81235155 
O       3.36202116       8.77793975       9.71259823       0.92888072      -0.42528255      -0.88532770 
O       9.38508654       0.00730447       8.67474738      -1.97772786      -1.38760133      -1.29070003 
O       7.61184655       5.53729738       6.50928856      -1.68746139      -0.64329995      -1.47782513 
O       5.46563626       0.26381949       6.01151793      -1.91086346       0.23137932      -0.68445589 
O      10.75800350       4.96469683       6.87715677      -2.26662115       4.12544684      -0.70178687 
O      10.90323284       9.09135399       4.16168068       0.09171921      -1.31662875      -0.16353226 
O       1.91005436       7.27902638       3.75333119      -0.01815926       0.68582971       1.77653024 
O       3.95382199       9.09635474       4.49509764       0.09791102      -1.37275480      -1.58276851 
O       3.48081991       6.07034994       2.13189276      -0.11452874      -0.65911919      -0.83062651 
O       5.56569226       7.46714835       1.09807444      -1.52917188      -0.53879503      -0.02562039 
O       9.41938156       0.17779232       3.69212239      -1.12384544      -0.77216725      -3.32898210 
O       8.92093735       3.38754020       8.86892444       0.61598970      -1.25683155       1.66188664 
O       6.86987522       5.22984244       1.31822155       2.25374945       0.49584586       0.38661757 
O       8.92890664       3.32266293       1.01536042       0.36714013       0.93112663      -0.22423763 
O       9.44616777       3.80656119       3.88113450      -1.75876068       0.27356673      -0.96012465 
O       7.29150603       5.52156369       3.74692966      -0.99518847      -1.90057284       2.28453999 
O       3.48440987       8.90140215       1.72032172       0.03384534      -0.17791168       0.33748679 
O       9.20858779       3.65112020       6.26939331      -3.21590279      -2.98946351       0.78038668 
O       7.45568717       1.57423576       6.41137921      -1.39555820       2.54438176       0.52790184 
O       1.59703410       3.97966894       9.78133587      -0.00505138      -0.21913646       0.13874258 
O       6.87460931       9.76012795       7.55820516       1.79175901      -0.68855173      -1.73017947 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01169357355910308 0.009115157274425759 -6.597788822259664e-05 0.009115157274425759 -0.025518378204511125 -0.004480209851280836 -6.597788822259664e-05 -0.004480209851280836 0.0027910366634654616" pbc="T T T" energy=-1060.86327814 free_energy=-1060.86328104 config_type=crystal 
Hf       1.69700946       1.46316208       2.79713869      -1.64642026       0.60716295       0.27025240 
Hf       3.47376852       7.19190679       0.03672033       0.33951055       1.47835532      -2.42159318 
Hf       5.38748832       5.40698978       2.45361632      -0.51919604      -6.22381605       0.06534026 
Hf       9.12824098       5.57225951       7.59155683       0.36734864      -0.11569757       1.38916665 
Hf       0.30961985       6.97465950       5.13735368      -1.38931956       2.11529985       1.86523259 
Hf       0.05093598       0.06190699      10.45438041      -1.70227008       1.14342334       1.88405891 
Hf       7.42229569       3.20272815       5.01361618      -2.51358391       1.53332587      -0.10756717 
Hf       7.17249331       7.14634670       5.38453533      -0.35268906      -0.61926775      -0.71188875 
Hf       1.68252114       5.51823547       2.55436638      -1.08441822      -2.23250542      -0.38836956 
Hf       0.01878987       3.69632301       5.31717659       0.20701959      -3.41855419       0.37812949 
Hf      10.91068259       3.64265406      10.45056736       0.40081157       0.12955900      -0.12151371 
Hf       2.12582029       5.36067997       7.81000394      -3.84481087      -0.15321897       2.88905333 
Hf       9.06020279       9.24380848       7.81441497      -2.56715595       1.34547024       0.47094082 
Hf       1.76112189       1.81652441       7.66600426      -0.67831223      -0.00213002      -1.85624674 
Hf       7.27391639       7.22097667      10.60459773       1.50159317      -0.05573604      -2.00444354 
Hf       8.93646354       8.99893093       2.65339848       1.84264441       2.49856658       2.31838317 
Hf       5.39678964       8.62699072       2.67458696       0.24315153       2.09599399      -0.99148930 
Hf       5.43645978       9.36665252       8.02585097      -1.54725434      -2.09956935      -1.30444609 
Hf      10.79894903      10.71903333       5.29751698       0.12648164       1.74109189       0.09347776 
Hf       3.43309996       3.76043730       5.07172556       2.52052597      -9.12673977       1.81637159 
Hf      10.77143895       7.23260559      10.55500622       2.17430212       0.42593298      -2.04026213 
Hf       1.69830194       9.31782645       8.00006183       3.40350322      -0.35803499      -0.15122270 
Hf       7.26829290       3.71694012      10.32366391      -2.11919193      -3.66865066       0.92747510 
Hf       8.71352219       5.40309898       2.41947364       1.90979621      -2.83917357       1.16405730 
Hf       3.49876277       6.90949869       5.25438344       3.03411283       1.48840497      -0.85604150 
Hf       3.47998770       0.05465981      10.38779079       1.22458262      -2.36891437       2.05036025 
Hf       7.04177968      10.94493915       5.31222476       0.56772129      -1.36115659       0.77734036 
Hf       5.36223770       1.57619283       2.16672665      -3.80572562       1.18303641       2.56542752 
Hf       5.36333670       1.97270208       7.78954758       0.39482092      -1.43893618      -1.88565501 
Hf       1.52084805       9.04292847       2.46882238       1.30854114      -0.74683770      -0.43331588 
Hf       3.60332257      10.76732607       5.11247651       0.82512493       1.52611573       1.55446433 
Hf       3.39826667       3.43155308      10.48326567       2.25194254       1.13513687       0.14690295 
Hf       6.97877129      10.73796541       0.18081375       1.38097959       1.26410365      -0.15807329 
Hf       9.23318204       1.82554383       2.25600706      -0.61501386      -1.29123129       0.82391140 
Hf       5.39918024       5.58446110       7.97139680       0.03159796       2.87266539      -0.18296721 
Hf       8.85436168       1.70639426       8.28983090      -0.30078951      -1.43597610      -1.49534018 
O      10.67151398       9.07954452       1.61376929       0.79268437      -2.33590959       1.66280431 
O       5.00252866       6.86652246       3.51370463      -0.58114958       2.98938851       2.11086412 
O       0.11394613       5.34315355       4.06681016      -0.05169672       0.76949925      -0.58072721 
O      10.63500388       1.58794369       3.76405340       0.68494191      -0.55598910      -0.46212865 
O       1.48967187      10.43867313       3.88653095       0.58221141       1.19293741      -1.02889269 
O       1.78391322      10.69841666       0.85013304      -1.38538760      -0.41736827       1.70711563 
O       1.75367959       3.45200235       0.76144285      -0.31392722       1.15234525       1.14399741 
O       0.09151229       1.76521451       9.20793809      -2.25104651      -0.33705805      -0.34130042 
O       1.94442793       0.12972912       8.95108948      -0.58375330      -0.47468800       0.75357579 
O       1.79426072       0.00844160       6.53306596      -0.67116237      -2.06209907      -0.64409082 
O       0.21414817       1.90161583       6.24621869      -0.46942241       0.07657658       0.99831910 
O       1.77478293       3.26863495       3.62504192      -1.37470219       4.35589615      -0.29630026 
O       1.43475076       7.03831572       1.19960563       0.45642876      -0.53562155      -0.62735302 
O       2.41554623       7.11954756       8.85977935      -0.78816746       1.12970633       0.61891886 
O      10.94177506       2.04570980       1.12126235      -0.04061910      -3.09731808       1.27871346 
O       3.74244262       5.22899696       6.64368345       0.87679185       0.44204721       0.48075830 
O       3.58281063       1.95411293       6.82835945      -0.05932651       1.06266228       1.35866978 
O       5.96236509       3.90131623       8.67997696      -1.01003863      -3.86572310      -1.22130811 
O      10.58387606       4.85742685       1.60877206       1.26932016       0.86147008      -0.07050126 
O       1.97233352       7.16025830       6.42319441      -2.04871472      -0.01478948      -0.03489357 
O      10.86443293       9.26699543       7.13885763       2.55153926      -1.08949849      -0.92440519 
O       2.68417431       1.53849411       4.49360490       2.83783385      -1.52905557       1.13542632 
O       5.48278175       0.48289019       4.18510848      -1.31413564       0.21908820      -2.40466623 
O       5.19986364      10.66850481       1.15110444      -0.45446140      -0.62952149      -1.60666993 
O       3.34620288       1.23789478       1.69586758       1.07857812       1.24784756      -1.23306560 
O       3.90788019       1.76792053       9.47136032      -0.81948273       1.11837303      -0.79730906 
O       5.56668882       0.03991205       8.97898880       0.44364754       1.11750294       2.34134331 
O       0.38590363       9.12003811      10.08528562       1.23839936      -1.76879539      -3.98445139 
O       3.18716822       5.28327233       4.11363314      -0.72813804       3.39467085      -1.07258407 
O       4.85955155       3.22441851       3.12490262       0.26014148       2.65606697       1.61376380 
O       5.39323135       3.00768144       0.56324134      -0.22111837       0.48806540       0.10389966 
O       9.38282566       7.00254033       6.18302163      -1.49092066       0.83451475      -1.85631449 
O       3.90337519       5.24315321       9.72241677      -0.42482403      -0.26140104      -1.36290352 
O       5.56655187       3.38216311       5.93736312      -0.47470342      -0.77594096       0.78184087 
O       0.41255015       5.56734958       9.48336216      -1.51251138       0.27887830       0.86301244 
O       9.20752352      10.87572484       6.66099766       0.37864439       1.27078000       0.35140588 
O       1.88304267       3.79650117       6.42825052      -0.67539391      -0.71673119      -2.65040079 
O       7.10670669       1.11539366       1.78562874       4.41938049       0.58954033      -0.67420678 
O       9.26589808      10.76760544       1.30500322      -0.65570604       2.48268613      -0.48695439 
O       6.80541811       8.84673960       4.30254055      -1.16160538       0.34478440      -1.00591997 
O       7.99127528       1.45821040       4.42368202      -0.47826676      -0.07663683      -1.07321013 
O       3.71931735       9.48602055       6.97439670      -1.87455671      -1.74203061      -0.74871783 
O       9.54101069       7.53587896       8.72848463      -0.74795488      -2.56782045       1.61723902 
O       7.28806322       1.69071009       9.69717502       1.83402151      -0.03351888      -1.25587464 
O       7.13904278       8.96521701       9.82947525       0.59089003       0.80256051      -1.87717209 
O       5.32936510       7.43825409       8.96964155       0.93154385      -2.17635539       0.20096213 
O       8.40121736       7.13855151       3.41418520       0.24251453      -1.10893446       0.34348481 
O       5.22641036       7.07918818       6.26659693       0.52631015       0.92458113      -1.09511137 
O       7.18509698       9.28933351       1.73462346       0.06358497      -1.42212236      -0.41559749 
O       9.22908690       6.84710350       1.00947344      -3.72386331       1.14962224      -0.62463666 
O       7.26573938       5.47501887       9.66799523       1.38205639       4.81383131      -1.15451036 
O       3.77229082       9.09995949       9.62346641      -0.93401467       1.45201794       0.33305654 
O       9.22027258      10.63132124       9.34512649      -0.59637731       0.84502985      -1.47205858 
O       7.17616148       5.90549041       7.11619936       1.97193194       0.18764260      -0.37268469 
O       5.25489629       0.25940948       6.51101790       0.31913190      -1.27829062      -0.47922270 
O       0.08093986       5.19014819       6.71590814      -0.76880397       1.11416309       0.40125785 
O      10.81959112       8.68462060       4.28341557       0.58149006      -1.64447653       0.10567374 
O       1.98658454       7.38850586       3.78026369      -0.52655463      -1.12437287      -0.55378969 
O       3.88111085       9.33417488       3.58487621      -1.06240915       1.27458253       3.82762269 
O       3.46746981       5.26972567       1.69025207       1.16759996       0.88752373      -1.48232808 
O       5.76156637       7.02415191       1.05148445      -3.29504925      -0.01680733       2.15690636 
O       9.20306706      10.30211426       4.28384265      -2.75789204      -1.16855412      -2.44372835 
O       9.10417152       3.76954097       8.56252523       0.06282616      -1.28186712       2.77224959 
O       7.06512100       4.76318805       1.45037711       0.27292567       2.11519366       1.61920207 
O       8.90843130       3.23944258       0.69832551       0.84781013      -0.11878899      -0.46566212 
O       8.72404905       3.52586036       3.39902283       0.46930092       2.04983237      -0.56634043 
O       6.70387506       5.19550348       4.44295134       1.05742194       1.18289453      -1.66442567 
O       3.37561240       8.61576060       1.46981862       0.45890956      -1.42280785      -0.49208238 
O       8.79113998       3.56554661       6.27003530       2.76397400       1.65669808      -0.29746547 
O       7.31348081       1.25724198       6.98226865      -0.07077819       2.63993280       1.70064407 
O       1.67998537       3.55667455       8.83174834       1.99233419       0.62241474       0.78391730 
O       7.06799312       9.17551546       6.66411611       1.65266818      -1.14497663       2.40054576 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02511058591649623 0.0017925341455587917 -0.0016411022204824825 0.0017925341455587917 0.006185733989209887 -0.003014411174960518 -0.0016411022204824825 -0.003014411174960518 -0.004810938806578797" pbc="T T T" energy=-1064.0338211 free_energy=-1064.03385201 config_type=crystal 
Hf       1.61507206       1.77835458       2.33825224       3.25076084      -0.30068333       2.09989796 
Hf       3.25191697       7.04537840      10.61855137       0.85243821       0.98711041       1.84431834 
Hf       5.46361203       5.58709711       2.54328692       2.37390258      -1.23975987      -0.93094697 
Hf       8.81113139       5.34452338       7.85853404       1.92097196      -0.09036826       0.52936032 
Hf      10.82691444       7.22511585       5.45883225       1.84929722      -0.61209982      -0.03367182 
Hf      10.92366359      10.67940165       0.04618662       0.04317875       2.58170906      -1.65652724 
Hf       7.43447975       3.49570890       5.03264305      -1.60900242       3.05860620       1.93145543 
Hf       7.08421391       7.15142536       5.30764366       1.04426640      -0.90323549      -0.23697088 
Hf       1.92058603       5.35479244       2.75956890      -0.62915744      -1.85146545      -2.38290727 
Hf      10.90330547       3.57492713       5.32793835      -0.01745857       0.08721035       0.68419087 
Hf      10.82291681       3.78794880       0.01295601      -0.51101782      -4.61282758      -0.77434557 
Hf       1.99245389       5.23094669       7.64575092      -5.07289658       1.12560916       2.54363431 
Hf       8.80675589       9.17513978       7.91197739       2.19532659       1.81763616       2.39804700 
Hf       1.69554760       1.63413561       7.83607060      -2.42598799       1.92036431       2.51739886 
Hf       7.34478747       7.30171253      10.50214118      -0.85598727      -0.47704337      -1.05321607 
Hf       9.14195986       9.03418733       2.29994926      -3.60623643      -0.91246866       3.54247869 
Hf       5.56720068       8.96552378       2.41160191      -2.29240204      -2.19127072      -0.46446237 
Hf       5.25349951       8.84854799       7.80940435       0.12202074       2.38424661       0.57897124 
Hf      10.63408599       0.05502629       5.02195155       2.00297419      -1.48922396       1.48496887 
Hf       3.64482882       3.48490563       5.23106501       2.06801897      -1.18556774      -0.99140787 
Hf       0.04372222       7.01932547      10.30805203      -3.60338601      -3.23964723       0.31686873 
Hf       1.78164609       9.16919385       8.31373319      -1.58135569      -0.57311407      -1.11376720 
Hf       7.36614104       3.65647527      10.43920443      -3.25581792      -1.08367932      -1.66541522 
Hf       9.03466173       5.70924040       2.63251929      -2.76323545      -0.41112516       3.62224220 
Hf       3.58560562       7.13631320       5.04422122      -3.23160991       0.72926362      -0.49268112 
Hf       3.72205635       0.10370533      10.43891426      -3.90189476       0.44504216      -2.17311018 
Hf       7.06659853      10.67517592       4.85977395       1.48848138       0.88657516       0.67391022 
Hf       5.40451712       1.96089042       2.57306598      -1.17159938       1.39085049      -0.38309305 
Hf       5.18885582       1.72223620       7.69353465       5.05743224       1.88152991       2.61357253 
Hf       1.81344139       9.18866354       2.58554985       0.41430972       0.77967958       2.55907164 
Hf       3.41330017      10.81149441       5.49886436      -1.39887407       0.50658064      -1.06876871 
Hf       3.56283072       3.57229868      10.36684560      -0.46868296       1.23014863       1.19474816 
Hf       7.14089916      10.85298468       0.19612695       4.79627782       2.90316035      -4.07114624 
Hf       8.97343708       1.65358974       2.41263494       2.48770743       1.84511959       1.58864178 
Hf       5.35982716       5.39776768       8.06521101       2.56580135      -2.27284681      -0.36307711 
Hf       8.89107480       1.79061084       7.84084015       0.77290778      -1.19341015       1.86548823 
O      10.89815451       9.17442402       1.83663604       4.15630057       0.46690449      -1.72373118 
O       5.34432935       7.23992869       3.68018368       0.37960945       1.03981950       0.05445899 
O      10.80112949       5.37351482       4.49478142       1.19126781       0.68952615      -2.26379358 
O      10.55188301       1.81500580       4.23047221      -0.19541732       1.69778418      -0.61245158 
O       1.61046615       0.19103703       3.61305900      -0.06654981      -1.24332832       0.48836586 
O       1.84644130      10.68851025       1.04606462       0.30682872       0.57008114       0.31365930 
O       1.66906662       3.87016252       0.87775940       2.86010690      -1.27337441       1.01816137 
O       0.28282772       1.93548455       9.66076357       0.12980149      -0.63276402      -0.41759260 
O       1.81108618       0.06480145       9.28522410       0.43620574      -1.39549756      -1.68717853 
O       1.52163622      10.88835667       6.67317159       1.24576351      -0.18187270      -0.80971239 
O      10.89661596       1.90000070       6.80618491       0.17957051       0.60227800       0.42940101 
O       1.70261006       3.38562695       3.54858933       0.07000911       0.59509225       1.09883689 
O       1.39976858       6.35944635       0.90491469       1.88128075       1.43498026       0.83895003 
O       1.66716838       6.90652107       9.05189034       2.60907545       0.55837975      -1.06661188 
O      10.88523848       1.93026128       1.61934622      -2.15626849      -0.94839792      -1.09325102 
O       3.68638373       5.31451358       6.90104247       4.73934666       0.28759596      -2.34358389 
O       3.52308608       2.20891760       6.88420985      -2.19390397      -2.91128415      -1.34768747 
O       5.82517011       3.53042222       8.88336819      -2.08325537       0.03717991      -0.31103794 
O      10.28073231       4.99135311       1.57353778       3.26143553      -1.03056283      -1.88108341 
O       1.89369661       7.02006971       6.10165472      -0.29735893      -0.41573305       0.17737012 
O      10.68794196       8.53422430       7.68047894       1.52355239       0.53930223      -2.20732999 
O       3.80181099       1.59805925       4.20360337       0.74895491       0.13561620       1.34260578 
O       5.71559445      10.81443270       3.01689848       0.63635429       0.92766244       2.06703078 
O       5.34562325      10.39202379       0.38217250      -1.17258256      -1.05536036       2.96999643 
O       3.61087508       1.63531995       1.50787086       0.71195630       0.38044132      -1.58627854 
O       3.77713403       1.94564514       9.27987357       0.01919898      -1.78492075       2.16194371 
O       4.87982409      10.85834720       8.44905141      -0.54762307      -1.65591338       0.41416360 
O       0.52849531       8.76415513       9.96116462       0.33134464       6.14315164       0.80459749 
O       3.37957935       5.26250676       4.15771489       0.66821615       1.18938493       1.53912769 
O       5.13881440       3.78732201       3.48317538      -0.65155349      -3.53264321       0.52877520 
O       5.76579341       3.47086003       0.96241641      -2.94316108      -1.54521860       1.17055278 
O       9.10212187       6.65166533       6.15543353      -3.87935322       0.84993788       0.81074299 
O       3.93327850       5.48418488       9.53978153      -0.66868777      -1.35110892       0.55417892 
O       5.67551773       3.25247211       6.39135067      -1.23464118       0.32729157      -3.54062960 
O      10.60620242       5.25899668       9.45206273      -0.52449824       0.90559015      -0.90585567 
O       9.18824787      10.82082739       6.34742750      -1.28803847      -1.05140723      -0.01572441 
O       1.95468319       3.71434048       6.33006035      -2.42044729      -1.11739076      -2.71882028 
O       7.23732653       1.35599673       1.70885611      -3.16266301       0.19019616      -0.16923056 
O       9.08622669      10.87142746       1.09250804       1.66324617      -0.68404443      -0.54218149 
O       7.42594086       8.83525486       3.90116718      -2.39838529       0.60086059       1.58966800 
O       7.57722383       1.83371043       4.17799120      -1.68748518      -4.79172325      -0.85469232 
O       3.24437508       9.05947729       6.97014075       2.40914561      -0.10385349      -0.09876565 
O       8.98441894       7.31345057       9.08788843      -1.17411661       0.16433953      -1.25293749 
O       7.47409632       1.54058342       9.72571984      -1.95351091      -0.41072020      -0.36864609 
O       7.11657421       9.25021150       9.31016176       0.67224637      -0.18098024       0.82907080 
O       5.68443383       7.23282909       8.85057071      -0.21180486       0.12712280      -0.40376307 
O       9.42364114       7.48299270       3.76462259      -0.65841270      -1.02235226      -1.75111215 
O       5.21390529       7.38214491       6.12731579       1.83452391       0.23479055       1.73877155 
O       7.27475683       9.18140683       1.40073022       0.61390152      -2.16552586      -0.17857199 
O       9.21778524       7.32661629       0.89858841      -1.13965483       0.62987681       1.42852052 
O       7.24070657       5.42586445       9.55054010       0.75501247       2.56502423      -0.68001668 
O       3.65975100       8.94039554       9.73661052      -1.61236309      -0.60317001      -1.79879654 
O       9.37343549       0.08416706       9.09755370       1.20873768      -2.93807518      -0.62154678 
O       7.04282412       5.22142396       6.82902600      -0.20824406       2.78596995      -0.42211479 
O       5.36619336      10.56716948       5.89142894       0.28760491       0.60397089       0.04233022 
O       0.09780772       5.21078458       6.94727915      -1.68355102      -0.27452959       0.11006467 
O       0.23392747       9.00776880       4.63972910       0.73671963       1.42841809      -0.18682194 
O       2.03055951       7.17493923       3.39684537      -0.34006348       2.14675866       0.59438871 
O       3.70149665       9.37916351       4.29064000      -1.11143232      -2.43885576      -1.65034792 
O       3.82914534       5.46191265       1.57930784      -4.47778377      -0.64085617      -1.49074547 
O       5.45099729       7.24693330       0.98229976       1.39059928       0.76178666      -0.51316823 
O       9.20721610      10.72334397       3.58865885      -1.13963268       0.10801041      -0.27506894 
O       8.81490628       3.55611338       8.78718211       0.01898767       0.70409657      -0.71560426 
O       7.25683555       5.40233359       1.60195845       1.87991108       1.38645630      -1.54209793 
O       8.92311267       2.87475547       0.35600262       4.38583904      -0.45337764       4.87123650 
O       8.93531984       3.79736899       3.53179381       0.30192255      -0.73108209      -0.33217902 
O       6.89889755       5.10114702       3.96774724       1.68202116       4.24035895       3.00299789 
O       3.35831934       8.46286853       1.56056636       0.27968297       1.02481665       0.94334650 
O       8.83669305       3.47966285       6.40516890       2.07476040       0.25132091      -1.31922270 
O       7.17319887       1.26264931       7.18025524      -0.87803499      -0.44741866      -1.71790690 
O       2.04976078       3.61573878       8.95072278       0.52524430       1.04429241      -0.41899747 
O       7.23901858       8.91204481       6.78293493      -1.55400367      -1.37908796      -2.68539903 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.000818284003760692 -0.006296787195011353 -0.01446018892001548 -0.006296787195011353 4.829813954054672e-05 -0.0043840692522980045 -0.01446018892001548 -0.0043840692522980045 0.008402314217566195" pbc="T T T" energy=-1064.33820184 free_energy=-1064.33820385 config_type=crystal 
Hf       1.62980371       1.76059217       2.32566315       1.79539270      -0.39196089       2.31064701 
Hf       3.30955967       7.08932609      10.58705435       1.31106537       1.83995543       1.29647253 
Hf       5.45302426       5.58250315       2.54710561       1.09702500      -0.02959290      -1.35546412 
Hf       8.81121663       5.31814243       7.87692189       4.44581621       1.41812492       1.10447504 
Hf      10.83441667       7.17931013       5.43300644       0.65675363      -0.01616975       1.74279732 
Hf       0.04270725      10.72488077      10.61739016      -1.87206000       4.30646305       0.18382589 
Hf       7.43333255       3.51483632       5.12770893       0.34209695       1.52885330      -0.52781665 
Hf       7.08796568       7.20100421       5.32415145       1.24464852      -0.71581029      -1.43843300 
Hf       1.87647071       5.32902524       2.71626912      -0.44877318       0.63438830      -0.61459900 
Hf      10.93159836       3.53018283       5.35939148       0.78510747       0.95314824      -1.00970217 
Hf      10.83349658       3.76407491       0.02325498       0.43987855      -2.08913304       0.33452404 
Hf       1.95796188       5.23344137       7.62494444      -2.40546673       3.29343558      -1.82171920 
Hf       8.72778351       9.21998323       7.86028644       0.90284290      -0.17204877       1.89206603 
Hf       1.63841535       1.64550673       7.88995740      -0.10494672       0.62774180       1.09511403 
Hf       7.32758425       7.23847165      10.46918926      -1.94154739       0.41973612       0.74579506 
Hf       9.16042927       9.01026009       2.25697079      -1.87963127       0.13172705       2.83173912 
Hf       5.55105395       8.91460391       2.40291536      -2.51750303      -0.00817469       0.40071834 
Hf       5.25772403       8.90758319       7.82869907      -0.17470603       2.13534695       0.75679814 
Hf      10.62408886       0.01980834       5.07789070       2.07160816       0.28438877       1.05088367 
Hf       3.62372844       3.49143387       5.25355246       0.03693956      -1.64081309      -1.30399141 
Hf       0.07407790       7.10575582      10.27812247      -2.25832883      -1.65695391      -0.53079940 
Hf       1.79326449       9.16964743       8.26171093      -0.49088730      -1.22842535      -2.88495202 
Hf       7.32274674       3.64484624      10.40204789      -0.56948115      -3.91249782       0.77215212 
Hf       9.04771405       5.76447409       2.71288197      -0.26840728      -6.59223372      -2.24379277 
Hf       3.58805867       7.18703542       5.03862962      -1.00077200       4.24554454       1.61634078 
Hf       3.71950843       0.07983944      10.54337352      -1.22766634      -0.63967813      -2.82726459 
Hf       7.15047120      10.67292829       4.77543910      -2.19168909      -0.27687407       0.34303282 
Hf       5.37968973       1.97034183       2.60405143      -0.69400169      -0.55385266       0.62995481 
Hf       5.26566669       1.78268330       7.63150710       0.80912130      -2.35544777       2.79033897 
Hf       1.69052395       9.12349626       2.65649066       3.89241228       1.60953419       3.35771869 
Hf       3.45410480      10.83082178       5.51370255      -0.75819236       0.43479167      -0.51519727 
Hf       3.53423107       3.57063161      10.37349181       0.91652337       0.24612934       3.52352393 
Hf       7.19783760      10.82903322       0.19055831       1.94322887       0.97306656      -2.59164784 
Hf       8.94376188       1.62250855       2.41710369       1.47583578       2.64640819       1.42091806 
Hf       5.29729831       5.38390275       8.08133839       2.93537736      -1.10171051      -0.14307438 
Hf       8.93353653       1.81213040       7.83239520       0.18572650      -2.97352952       1.61671724 
O       0.09409550       9.20079303       1.80252077      -4.23244754      -0.66496854      -2.31497943 
O       5.29014558       7.30439599       3.66003216      -1.90662012      -3.01188403      -0.54891638 
O      10.86861856       5.43230011       4.31088017       1.57772792      -0.43378963      -0.43328055 
O      10.52777619       1.89024547       4.20437344      -0.58526186      -2.51674739      -0.21182710 
O       1.45328239       0.05675613       3.57796023       0.22208288       0.97279210       0.90476121 
O       1.71796533      10.65384612       1.06408853       3.14214953       2.63580948      -0.25747846 
O       1.80258487       3.68827791       1.01039869       0.02948855      -0.00195169      -0.09865428 
O       0.21085852       2.05224461       9.44000732       0.11463244      -0.41512987       0.10208247 
O       1.87600136       0.03592220       9.14844609      -0.02410645      -0.51075953       1.34728362 
O       1.46570968      10.89024285       6.72914295       0.18922679      -1.54627327      -1.42138934 
O       0.10368649       1.86360125       6.73015430      -2.89172015       0.10360331      -0.50593192 
O       1.79047247       3.21475115       3.80090181       0.14113410       1.98018938      -1.22346604 
O       1.54978547       6.56266799       0.78444337       0.27175769      -0.04638538       1.10573528 
O       1.91275699       7.09248624       8.90321986      -1.48394113      -0.93505781       0.54302355 
O      10.87166926       1.92687083       1.50800914       1.04596951      -1.63649970       0.38753263 
O       3.87720547       5.30006689       6.70075724      -0.33478760      -0.67419115       1.14344257 
O       3.26109854       1.82016882       6.66530209       2.87919005      -0.26029061       0.39973838 
O       5.91506672       3.46486907       8.63343809      -1.91089862       0.28951442       1.73402899 
O      10.59817397       5.34472322       1.53629770       0.20478703      -0.69540587       0.11032917 
O       1.80887471       7.05275485       6.20519723       0.03583300      -0.49661018      -0.61320719 
O      10.73871710       8.45300900       7.51528738      -0.33638841       0.68132319      -0.56538296 
O       3.86266368       1.71548960       4.22320495       0.53399030      -1.84106627       0.10547507 
O       6.05998524      10.88875295       2.99911956      -0.94569311      -1.43984018       2.15567078 
O       5.33910553      10.09577859       0.47963671      -1.88997337       1.45050899       1.74658384 
O       3.63434525       1.87144279       1.47551236      -1.46292048      -2.46597789      -1.04012943 
O       3.66786458       1.85493768       9.35314490       0.53787023      -0.29389909       0.71576393 
O       4.96611289      10.82008753       8.66105649      -0.86946802       0.28585149      -0.38298402 
O       0.46806355       9.03839553      10.00030028       0.39921498      -1.90114443      -1.63249774 
O       3.20620021       5.44854216       4.51239825      -0.46624919      -4.14279678      -3.78797422 
O       5.08541617       3.69110839       3.56611443       0.23431216       1.44422700       0.18467038 
O       5.49869753       3.19847974       0.97365275       1.33134320       2.18891283      -2.09081515 
O       8.86854510       6.82351677       6.30928777       0.80061104       1.27667790      -0.63648957 
O       3.89229364       5.48689408       9.57980897       0.97451874      -2.62627576      -1.15680973 
O       5.71738849       3.08105651       6.24955439      -1.16789647       0.85102091      -3.26603738 
O      10.62213847       5.29353262       9.40669869       0.23754130       1.12236149       0.79522810 
O       9.13065009      10.80811241       6.68151046       1.50799047      -0.05515067      -3.38394663 
O       1.78694485       3.64643541       6.29811159       1.05773506       0.82525312      -0.19667374 
O       7.16532797       1.41385372       1.66512724      -0.47029467       0.93534080      -1.14228444 
O       9.11765441      10.88028977       1.25740496       1.12370359      -0.98913119      -1.61004232 
O       7.11703962       8.57074656       3.83937730       1.78741726       2.45033004       0.80965496 
O       7.41812420       1.74666118       4.07798932      -0.50317378       0.06212185       1.86555273 
O       3.32493159       9.15812226       6.83457508       1.02706174      -0.67722795       0.60735635 
O       8.91180246       7.46150130       9.32638554       0.74848393      -0.52820709      -3.33054786 
O       7.38993003       1.52085758       9.72165839      -0.47895812       1.69455552       0.44072754 
O       7.00021985       9.34292654       9.30703364       0.55885518      -1.73432096      -1.02811072 
O       5.54473289       7.09747122       8.98678028       0.90954059       2.55793485      -1.22229549 
O       9.49808278       7.27831764       3.60773993      -0.16273324       4.52205161       1.87175357 
O       5.38475064       7.41411058       6.09266801      -3.01836592      -1.20792006       2.60923028 
O       7.24724785       9.04527075       1.38393481       2.37482965      -0.34522280      -0.63326659 
O       9.15527305       7.56734240       0.96121172       0.63314653      -2.11738980       0.14536113 
O       7.17276140       5.34614717       9.43408091       1.30046926       2.01131802      -0.10814997 
O       3.54819121       8.77973708       9.42951884       0.03122225       1.69367117       0.24445443 
O       9.14879619      10.79961296       9.22836384       1.72077071      -0.90404188      -0.23854820 
O       7.28815076       5.05146090       6.87630974      -4.46702006       0.21916861      -2.22910237 
O       5.38231424      10.54305740       5.96162466       0.35898858       2.15207007       0.46510781 
O      10.93369391       5.16584932       6.98555482      -0.53079592       0.61249161      -0.49568454 
O       0.29311737       9.00228171       4.54208749      -0.75650275       0.48241887       0.62190381 
O       2.16838566       7.33277838       3.43271963      -1.08123291      -2.24440264       0.61211004 
O       4.01771979       9.49048731       4.27202692      -1.66501119      -2.06163338      -2.63138112 
O       3.74688396       5.48353804       1.39099385      -1.10796824      -1.33645179       2.63416604 
O       5.58642945       7.16733347       1.10866125      -0.76600954       0.93047623      -0.34700145 
O       8.94968031      10.61924017       3.69869122       1.08081168       0.34531146       1.43875229 
O       8.88479351       3.53230829       8.76453299      -0.79988304       0.23764951       1.41437151 
O       7.30034632       5.49130069       1.34739560       1.13818710      -0.59164376       0.84394252 
O       9.16128482       2.92422455       0.61490412      -3.33600577       1.98474652       0.31421674 
O       9.04693453       3.73808531       3.48963091      -1.47391057       0.63626536       0.16195420 
O       6.92300612       5.28630002       4.12662390       1.42170798       1.26744923       0.66283899 
O       3.19437924       8.39714173       1.58781168       2.08045722       1.51590873      -1.19136339 
O       9.16856519       3.43733862       6.33033532      -2.83017903      -0.68930236      -0.76106383 
O       7.15238182       1.08581005       7.34775489       0.26422462       1.41704042      -1.85813471 
O       2.28527797       3.85637790       8.89550087      -1.54299876      -1.90118644       0.14586353 
O       7.04246848       8.91202541       6.53979029       2.93818480       0.69104241       1.27224926 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00015885421538164543 0.0027200503324183826 0.01271207651864895 0.0027200503324183826 -0.015558635606324785 -0.007395943796810146 0.01271207651864895 -0.007395943796810146 0.017608144004693745" pbc="T T T" energy=-1057.85058163 free_energy=-1057.85083111 config_type=crystal 
Hf       1.71061703       1.71288536       2.28990783      -0.73210736       1.48266044       3.13160966 
Hf       3.56422630       7.34886792      10.30007380      -0.21130625       1.84090534       3.72482516 
Hf       5.38463757       5.41191987       2.75906732       1.65788927       2.05609240      -3.65434083 
Hf       9.05332078       5.51674995       7.99579907      -1.50399843       0.05280092       1.02966323 
Hf      10.94219445       7.03676578       4.95880530      -3.21619504       6.72523287       2.45017118 
Hf      10.78438993      10.90796364       0.10028706       0.22168414      -3.69635340      -1.99696055 
Hf       7.14788109       3.30019601       5.47969836      -1.91061556       8.09675342       5.48293224 
Hf       7.34233530       7.18160946       5.29862219       0.01267906       0.06110638      -0.81117470 
Hf       1.70594868       5.35953978       2.83480521       1.47234495      -3.19697361      -6.13204326 
Hf      10.70233727       3.56327707       5.16773296       2.61768338      -0.54155847       0.67207230 
Hf      10.45316430       3.61339003      10.59864570       1.62747836       0.23630737      -0.20349598 
Hf       1.59093566       5.78146203       7.70748224      -1.10859915      -6.21864345      -0.75334421 
Hf       9.15750402       9.18437547       7.96572017       0.81064138      -3.65031158      -0.68048903 
Hf       1.83566224       1.88689436       8.03520906       1.25113558       1.41792543       0.92134244 
Hf       7.27335293       7.17029367      10.47772074       1.14724248      -2.80479356      -0.32571085 
Hf       9.03545746       9.12510208       2.47179202      -0.44846713      -0.95656423       2.27395039 
Hf       5.77952742       8.83551112       2.15014349      -3.63326964       0.99296804       3.50470047 
Hf       5.41464529       8.84159093       7.81715651       0.46273528       3.47207882      -2.87743806 
Hf       0.31437333      10.87230427       5.54842856      -0.26610637      -1.15599221      -2.70833552 
Hf       3.33743589       3.38040291       5.03399314      -0.43722191      -0.53012740       5.59736211 
Hf       0.08935582       7.01805687      10.59891674      -3.43553111       1.56701832      -1.38198499 
Hf       1.89711697       8.85359257       7.83823998       0.18381985       4.90248281      -0.92508226 
Hf       6.97735906       3.55623488      10.45873543      -0.40408604       0.51730799      -0.59397826 
Hf       9.12523498       5.41258863       2.44711456      -3.65692963       1.56339615       0.52743103 
Hf       3.53470306       6.95930762       5.05374565       1.35562828       3.11348426       1.14680402 
Hf       3.24782567      10.78950134       0.07944465       1.99715159      -1.61592899      -0.68357160 
Hf       7.09259142       0.19186016       5.22141101      -0.63817262      -3.37059381       0.03592956 
Hf       5.38964315       1.75990063       2.67771688       1.19352753      -0.13425827      -1.59883080 
Hf       5.10884382       1.63999718       8.16988795       2.38811008       1.00097065      -0.76041636 
Hf       1.55679983       9.19023561       2.61750456       1.79169433      -2.54710667       0.18844844 
Hf       3.61722825      10.64971604       4.92748748       1.20384153      -0.25715399       1.13622284 
Hf       3.52411715       3.90520671       0.12695416      -1.65548601       0.19675728      -2.86145921 
Hf       7.28276282      10.59817156      10.31735453      -3.88344608       1.89976897      -1.69232554 
Hf       8.95234064       1.86279697       2.67743054      -0.16110973      -1.37552832      -0.08573694 
Hf       5.45165235       5.55342023       7.73587867       0.23992009      -3.76998752       1.34765851 
Hf       9.40253101       1.67726576       7.57505010      -3.14111865      -0.12931488       1.88868979 
O      10.88317777       8.79453426       1.41248356      -1.71726273       1.88734375       0.94731568 
O       5.21309915       7.16042089       3.67446177      -0.66809601      -0.24020738       0.13472670 
O       0.09600096       5.52181962       3.96175025      -1.26156141      -5.26080287       1.67874214 
O      10.70243784       1.30986463       4.10940290      -0.91425994       2.25943051      -1.28807971 
O       1.94813347      10.93414212       3.68452053       0.54598634       1.71948893       0.33878401 
O       1.56168785      10.76045545       1.28390773      -2.44747409       3.39945752      -1.72657989 
O       1.84636472       3.71216648       1.24614779       0.90789837      -3.35392713      -0.72924534 
O      10.28442788       1.41202056       9.48708370       0.83620387       2.33884604      -1.27592302 
O       1.62732152      10.73049057       9.07498610      -0.18274779       3.11144972       0.85526402 
O       2.10418986       0.13157521       6.38036007       1.03496208      -0.81056974      -0.05958846 
O       0.29514675       1.82776373       6.54968472      -1.84100413       0.56312144       1.89037708 
O       1.68734123       3.41496778       3.75653424       0.23840696      -1.19324213       0.43429581 
O       1.56917606       7.13072717       1.12021741       2.33914062      -1.64169621       0.38122053 
O       1.48477279       7.27380256       8.95475478       1.25857826       1.32328545       0.74731812 
O      10.93183983       1.97875987       1.36280032      -2.20458368      -1.53152310      -0.56221211 
O       3.27601721       5.74081790       6.74890736       0.92386970       0.73665153       0.34597693 
O       3.48485808       2.27261316       7.06198020      -0.07795727      -0.84040313      -0.26842064 
O       5.36454394       3.83640292       8.94953329       0.43377645      -2.37948118       1.86810367 
O      10.93005652       4.88064733       1.83821561      -0.04567646       0.11727320      -3.11285632 
O       1.58056887       7.66286130       6.02985179       1.01541244      -1.66429651       1.89741644 
O       0.09184360       9.40064285       6.97480805      -0.49722724       0.56768350       0.46277580 
O       4.11388838       1.69752056       4.34148711      -1.04038350       1.64782775       0.15231822 
O       5.58355021      10.82391600       3.65149910       0.30157565      -0.29514355      -0.66080487 
O       5.29979431      10.44629401       0.65382922       0.68896028      -0.92398449      -0.00557299 
O       3.57372285       1.29490180       1.83817352       0.51492124       0.28676396      -1.50527669 
O       3.52958660       1.81704307       9.58326137       0.05093590      -1.53838386       0.48780299 
O       5.81396048      10.65300492       8.43084765      -0.63925407       2.41745754       2.38235361 
O      10.76130564       9.11785841       9.56401555      -0.95162678       1.23452011       0.39099421 
O       3.84479620       5.01154359       4.16461407      -1.47299858       2.00253856      -0.74683623 
O       6.08177946       3.93766298       3.68208872      -0.13415747      -4.24974887       1.07579987 
O       5.22101464       3.39432635       1.01348248       1.01620145      -0.51474962       1.17227865 
O       9.18949466       7.54487339       6.02039836      -0.54134842       0.98139240       0.05647781 
O       3.45729475       5.59671264       9.52434801       0.03998913      -0.60689216      -1.07936437 
O       5.25183014       3.87176012       6.44751579       1.15502136      -0.39192607      -2.28361424 
O       0.17507721       5.12986675       9.44887085      -3.97187138       4.09451592       1.32762058 
O       9.26777353       0.17751722       6.21972399      -1.41622393       0.26361452      -0.22407236 
O       1.62572206       3.94807600       6.36888681      -0.89756581      -0.25886590      -1.82842475 
O       6.96170962       1.34766349       1.53161158       1.44414736       1.29241668       2.51937870 
O       8.81734399      10.53149718       0.84366486       4.57359377       1.54189619       0.55870593 
O       7.26231848       8.59173563       3.67373114      -0.16743852       1.03888675      -0.10116023 
O       7.36968400       1.94714535       4.28381586       0.26095823      -3.62870235      -2.58138299 
O       3.71721928       8.75608954       6.79299114      -1.43371546       0.06026912      -1.00195212 
O       9.29352834       7.24327816       9.13428635      -0.29777875      -1.18523241      -2.76375588 
O       7.01575984       1.68611525       9.84447415      -0.84259661       0.49645513      -1.16354512 
O       7.50567294       8.79758977       9.26096384      -1.17135472       0.47943442       0.55844738 
O       5.16578314       7.56519272       9.12452351       0.86348018      -4.30435714       1.27726096 
O       9.40505779       7.28783928       3.36351081       2.20188541       0.91260638      -0.48369035 
O       5.42213864       6.89284371       6.42312638       0.35596121       2.37037403      -3.08790143 
O       7.39493484       8.72858450       1.15128959       1.31325864       0.67001346       0.28206384 
O       9.18376182       6.60079323       0.77980966       0.35756201       0.60778126      -0.05226613 
O       7.08552173       5.69329077       9.10841228      -0.10522026      -0.17694205       0.13343118 
O       3.54378317       9.35994909       9.23075941      -0.61850487      -1.83823552       0.76291078 
O       8.51831388      10.85137502       8.60077805       0.74562025       2.31471923       0.23353632 
O       7.47291614       5.37951816       6.63461553      -0.76092518       0.58084106      -0.07039532 
O       5.25577803       0.12234247       6.15984839       0.62531123       0.62523989      -0.61226935 
O      10.52523177       5.78327185       6.68552025       3.75639395      -0.70062727      -0.17951508 
O       0.17633167       9.26622281       4.06977097      -1.82384845      -0.46785621       1.56486342 
O       1.96509051       7.06417243       3.63965605       0.02646834       1.36413526       1.10560534 
O       3.51462093       8.88267966       4.10819151      -0.34696485       0.56158953       0.11188168 
O       3.51014902       5.34659669       1.45471258       1.74731937       1.65472337       2.27160380 
O       5.24732876       7.29628394       0.92750004       0.46318125       0.45945091       0.09918577 
O       8.38682282      10.89214624       3.40951769       1.33304525      -0.31055964       0.12166809 
O       8.84883383       3.78711571       9.17473554       0.71150758      -0.58225624       0.20898744 
O       7.11506458       5.51210186       1.27602187      -1.34305750      -0.99736411      -0.00319694 
O       8.79103798       3.56876723       1.18936405      -0.50486910      -1.41362648      -0.41606517 
O       9.32372264       3.57216425       3.70221718      -0.67859046      -0.09829597       0.22699548 
O       7.57700745       5.89376716       3.76972291      -0.92921642      -1.39581284       1.01300268 
O       3.10569831       9.11528375       1.30474557       2.42951306      -0.87514358      -1.05352439 
O       9.15400412       3.73644695       6.46910032       0.52087480      -3.63218098      -0.68151784 
O       7.10526455       1.94352702       7.13214318       1.25443601      -0.18610511      -2.43228562 
O       1.59381665       3.82501974       9.08269956       3.03451276      -5.58545541      -1.75182596 
O       7.05676727       8.76450265       6.67230734       1.43467316       1.90244491      -0.65022534 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014703032508511812 0.007333964131952462 0.0008748034965709071 0.007333964131952462 0.006338317260508612 0.008902734982412746 0.0008748034965709071 0.008902734982412746 -0.013848581749321206" pbc="T T T" energy=-1061.69531215 free_energy=-1061.69532745 config_type=crystal 
Hf       1.63032281       1.81670486       2.35544582      -2.48575626       1.71600823       3.39725669 
Hf       3.56031698       7.47356419      10.45530471       0.82138838      -2.95740874       1.34380164 
Hf       5.57500026       5.42579904       2.82714202      -0.87965504      -0.99799671      -1.94795266 
Hf       8.85736549       5.51271704       7.85735932       3.10714076      -0.75798100       0.95192656 
Hf       0.03041703       7.08931733       5.19489845      -0.07157208      -0.48810606      -0.73261666 
Hf      10.75755638      10.74393676      10.08406903      -1.28282447       3.07475090       1.85481864 
Hf       7.40947104       3.19439326       5.17509078      -0.23519518      -0.59828381      -2.43653864 
Hf       7.17498843       7.16514391       5.43914150       3.95148129      -0.99744321      -3.49413106 
Hf       1.81102143       5.53408519       2.54743266       0.57280263      -0.28066644      -0.79021160 
Hf      10.85697343       3.82090303       5.46773308      -1.51676350       0.52184061      -1.22229824 
Hf      10.76426233       3.70697564      10.40031101      -0.10795997      -0.54515159      -1.34056350 
Hf       1.97539101       5.29808462       7.98247774      -4.87087926      -0.68737317      -0.81709049 
Hf       9.18303095       9.01252853       7.57843013      -0.96233045      -1.36723710      -1.40810914 
Hf       1.48579575       1.69821506       7.60868844       0.03940550      -1.06464331       0.02870957 
Hf       7.14464293       7.25336633      10.35236093       0.79447659      -1.47835271       0.00492381 
Hf       9.14040170       8.91722447       2.64011584       0.43722231      -1.26143409       1.79548366 
Hf       5.80874652       9.07340105       2.29144988      -1.14775156       2.21017246       1.99244074 
Hf       5.38214344       9.12242126       7.78456343      -0.11945619      -3.69483429      -0.03401733 
Hf      10.80620409       0.01093168       4.96451190       1.02577783       0.95002473      -1.14285072 
Hf       3.76470379       3.71638520       5.18848258      -3.70410160      -1.82192115      -2.10720664 
Hf      10.94577433       7.18472393      10.58822492      -0.82342147      -2.06595567       2.30092194 
Hf       1.70343636       8.84714990       8.01629571       0.61883453       2.29868451      -0.77005172 
Hf       7.01944576       3.52210880       0.01793006       0.07588528       0.34173615       0.87851289 
Hf       8.98415369       5.36412651       2.67808603       0.03004459      -1.20132094      -1.19101305 
Hf       3.94365953       7.32535887       5.19688438      -4.40544668      -0.07932047      -1.74620947 
Hf       3.24948770      10.81590355       0.30712910       2.53353896       0.96323520      -5.06751004 
Hf       7.24265717      10.64594849       5.24572803      -0.36826510       1.91722050      -2.84136308 
Hf       5.15671935       1.69533549       2.52023688       1.38076058      -1.59640549       1.99128471 
Hf       5.23656394       1.71239914       7.98643492      -0.23897394      -0.14890427       0.27500556 
Hf       1.76170420       9.03473316       2.68982108      -1.86815582      -0.61250896      -0.64998159 
Hf       3.38164379      10.93927435       5.44876021       1.31972196       0.62660268      -2.27506709 
Hf       3.53622254       3.51901669      10.43518082       3.39294912       0.44264045      -0.17188467 
Hf       7.22540980      10.78971027       0.05483820       0.62543848       3.94190548      -2.72785030 
Hf       9.32389553       1.65469071       2.42529971      -3.00195636       0.42377514       1.96559651 
Hf       5.41060789       5.18389429       7.83501344       1.08274675       2.20418056       1.36573085 
Hf       8.85165270       1.90598453       8.21282518       0.85940414      -1.68940117      -1.19659416 
O      10.88244580       8.98264571       1.82862304       0.49824767      -0.76267196      -2.29747040 
O       5.53919989       7.56168581       3.67704855      -1.23699618      -1.99741653       0.33315320 
O      10.47884407       5.17806876       4.05657177       1.96115218       0.31794987       1.86773799 
O      10.80365167       1.84947655       3.87866612       0.40081354       0.84282356       1.46965685 
O       1.34474568      10.90122099       3.38519418       1.53614096       1.22316914      -0.50324079 
O       1.39217530      10.68324392       0.69009697      -0.60791865       0.88216493       1.82597340 
O       1.74711026       3.41081743       0.33254219      -0.59400224      -0.32475499       1.97234985 
O      10.18797991       1.73952290       9.67018119       3.59048919      -1.63294926      -0.50645994 
O       1.61746079      10.81890856       8.78876126      -1.68304471       0.67258262       0.57343829 
O       1.57694036       0.06893942       6.42194922       1.79646927      -1.59069849      -3.69755428 
O      10.46332029       1.09740840       6.92247489       1.03157467       2.81198029       0.32270732 
O       2.03349441       3.64276241       3.47993471      -0.34040857       0.71675306      -2.34547870 
O       1.77095085       7.23982483       0.99147567      -0.74526222       1.67031639      -1.33964805 
O       1.73955961       7.05615121       8.87802860       1.26334471       3.05961554      -0.05699087 
O      10.86969630       2.22003871       1.32220817       1.87618752      -0.10662214       1.42551262 
O       3.60693366       5.50785137       7.04636301       2.43928797      -1.08754650      -2.43396482 
O       3.55075918       1.95146420       6.91418937      -1.33530852      -1.03772546       0.23437049 
O       5.27767863       3.60045790       9.00980758      -1.30168247      -1.76421925      -1.01540975 
O      10.94201193       5.27928566       1.56502640      -0.26501183       0.72540068      -0.98909087 
O       1.92209621       6.41115758       5.52375886       1.09529350       0.79745392       3.46279274 
O      10.93509047       8.52567511       6.65668240       2.38259893       1.20029043       3.87525231 
O       3.48725306       1.68821333       4.16226336       0.14347846      -0.96474436       1.28813755 
O       5.41605620      10.82724235       3.54507188      -0.34655787      -0.89560770      -0.79444203 
O       5.44097255       0.02308747       0.94419512       0.13151287      -0.57720969      -0.16190996 
O       3.37708664       1.48016557       1.51461517       0.65269882       0.96201025       0.17848405 
O       3.85177123       1.40974752       9.65533906      -0.11232302       2.23487332      -1.04317874 
O       5.40699559      10.79571208       8.47101624       0.97356604       2.64784512       3.26331857 
O       0.05787934       8.84048514       9.58811595      -0.12027657       0.29664318      -2.40396358 
O       3.98516261       5.54460196       4.09892228      -1.05365571       0.71462377       1.78068153 
O       5.16992265       3.49921756       3.68137594       1.66655233      -0.19578668      -1.38346912 
O       5.15090796       3.98520928       0.87321487      -0.07554498      -0.86430149       1.40049570 
O       9.10473576       6.97546389       6.34708301      -0.78365974       1.07548509      -0.51650074 
O       3.25555699       5.34169213       9.59826973       0.50262209      -0.53892899      -1.10366038 
O       5.38325569       3.53100398       6.21130189       3.01207682       0.49578283       2.15559078 
O      10.91410152       5.63730824       9.22772483      -1.64492232      -0.12490759       2.74726739 
O       9.21497514      10.28098572       5.77668346      -3.94369020      -1.49853357       2.90015478 
O       1.72296017       3.34806584       5.93127068       0.74829452      -0.55103178       1.27563939 
O       6.80532411       2.21430949       1.56068838       1.17857899      -0.88328304       0.04892052 
O       9.16966331       0.45390084       0.81066129      -0.95117116      -1.59293463      -1.12751475 
O       7.36251231       9.01527158       3.96800414      -0.29121538       1.01558052       0.24215215 
O       7.53800683       1.31851384       3.94116082      -1.13494570       0.89147111       2.26929174 
O       3.52085434       9.02788446       6.89001095      -0.84005682      -0.51271156      -1.21199587 
O       8.59142831       7.46329392       8.88834830       1.12092371      -1.23879986      -0.97421495 
O       7.09148453       1.88960740       9.42701124       0.33825182      -1.75405442      -0.45397611 
O       7.03320694       9.18247110       9.61671147      -1.93153207      -1.68657490      -0.41369370 
O       5.25844187       7.21183477       8.75440324      -0.06259549      -0.24578446       1.93374075 
O       8.81665650       7.03644203       3.70161664       0.89964917       1.46034759      -0.37715517 
O       5.47377964       7.20455374       6.33973136      -2.81232692      -0.02242383      -0.05523310 
O       7.61642714       9.55547765       1.41771675      -1.47560538      -2.26211067       2.40828725 
O       8.93413517       7.46561221       0.98849445       0.51573283      -1.25529159      -1.45695658 
O       7.02062551       5.12901700       9.45830865       0.93800471       3.77635279      -0.71430752 
O       3.46053192       9.19236864       9.39334591      -0.55845573      -0.57724404       0.81140978 
O       8.94907926      10.52903712       8.85367352       0.74124872       0.72527848      -0.32522047 
O       7.14517408       5.82409073       7.05033443      -1.15695746      -1.43824743      -0.07922495 
O       5.32689978       0.09018815       6.20771673      -0.02713533      -0.42966912      -1.29815405 
O       0.03218369       5.41877033       6.80067155      -0.45985910      -0.81533533      -0.70621214 
O      10.86647042       9.05528475       4.30389149       0.44312314      -1.78536272      -0.23501989 
O       1.42409156       7.21947800       3.62658217      -0.10537833      -0.30114494      -3.78871911 
O       3.03961577       9.07158739       4.22514134       2.38854521       0.51434977       2.44877026 
O       3.47199354       5.69473773       1.32857409       0.11079143      -0.30438034       2.87153615 
O       5.44189319       7.42219643       0.93754306       0.19797178       1.33765519      -0.45969165 
O       9.33851620      10.77093497       3.34547095       0.76850919       1.12826885      -0.36917346 
O       9.17354875       3.61199095       8.92447638      -0.36079045       3.78163629      -2.68122021 
O       7.13275261       5.54916119       1.54610890       0.81108191      -0.20228560       0.85733845 
O       8.98781968       3.76548210       0.48620118      -2.30497853       0.63539882       3.97669252 
O       8.64892748       3.47455023       3.51676260       0.34333617       0.38283380      -0.97054325 
O       7.24816026       5.26067339       4.58622717      -2.09429523       0.02151039      -1.81677923 
O       3.68574674       9.28096565       1.37188386      -0.56973391      -2.88066416       2.48755440 
O       8.93659643       3.76545592       6.33613397       1.18739128       0.94696691       0.14460661 
O       7.70180506       1.75400772       6.60689329      -3.16576833      -1.96623776      -0.62662132 
O       1.11178048       3.42695200       8.43547733       0.73295546       0.79524117       1.18145712 
O       7.06327612       8.88178477       6.52359531       1.59664930       2.50406448       2.70557042 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015017971800128769 0.003916623878125685 0.006379397288231858 0.003916623878125685 -0.00865589331410621 0.00326676965700984 0.006379397288231858 0.00326676965700984 -0.018671519326666237" pbc="T T T" energy=-1062.75021486 free_energy=-1062.75021562 config_type=crystal 
Hf       1.59389674       1.87090035       2.47752679       1.55047829      -3.00355491       0.38090326 
Hf       3.61904596       7.39941705      10.42669644      -0.72308300      -2.40014631       4.94551270 
Hf       5.58602802       5.49084974       2.77820930      -3.71715917       1.14418466      -4.04279967 
Hf       8.97611834       5.54682329       7.91494767       0.44865275       2.33258482      -0.59950977 
Hf       0.03044913       7.04576646       5.12720682       1.17106079      -0.97816826       2.26546418 
Hf      10.70272303      10.78834921       9.97171933      -0.98105809       1.21361784       4.11028966 
Hf       7.35566284       3.28759705       5.16783946      -0.22493416      -0.80622124      -0.21645898 
Hf       7.21281084       6.98727862       5.33651914       0.00299487       2.73412702      -2.09503834 
Hf       1.86715943       5.45732252       2.30767229      -1.27247302       0.09638285      -1.04729234 
Hf      10.90116237       3.84076275       5.65710307      -0.24551302      -2.32251462      -3.15569416 
Hf      10.73854739       3.72921939      10.46517055      -0.40075222       0.01303036      -0.20214185 
Hf       1.95201661       5.24622998       7.94908653       0.27893594       1.65863624      -1.86438022 
Hf       9.14037705       8.99321781       7.69536698       1.44830973      -0.22386860      -0.80775801 
Hf       1.57072305       1.59786697       7.58246925      -1.91900169       0.64423214       0.33302320 
Hf       7.17922895       7.33695174      10.38675319       0.02391654      -1.41628558       1.95609937 
Hf       9.11756742       8.89591166       2.60407343       1.85972456      -1.97408595      -0.48658060 
Hf       5.71661653       9.06873116       2.32533248      -1.99528068      -0.93213096       1.44442918 
Hf       5.44563729       9.09113465       7.79394394      -0.31854375       1.21452102       2.39635556 
Hf      10.74312361       0.01124020       4.93544137       0.57157677      -0.96932109       2.17411473 
Hf       3.83673576       3.84691213       5.16697161      -0.83747467      -3.57453256       0.33518333 
Hf      10.93142153       7.16387378      10.52835294      -1.35065259       1.10691908       0.39736580 
Hf       1.76770086       8.78473313       8.18262468       1.62710216       3.99693108      -2.69135663 
Hf       6.95107561       3.56573110       0.14916802       0.29137261       3.08577759      -1.73122828 
Hf       8.95526480       5.39643335       2.52724032       1.21575737      -0.35401352       0.28165506 
Hf       3.77402274       7.32177516       5.16733342      -1.15360128      -0.46917550       2.05800691 
Hf       3.16191738      10.67372611       0.22461702       0.52274627       3.34618537       0.00450700 
Hf       7.23213646      10.61170540       5.20777474      -2.72609570       3.17350204       1.87125976 
Hf       5.23310919       1.69741308       2.45397091      -0.47848815      -2.25852319       4.05874498 
Hf       5.10905692       1.73618834       7.93587723       2.86396447      -2.41288515      -0.36045760 
Hf       1.70053707       9.00407663       2.61489248      -0.91261657      -0.92926294      -0.29804085 
Hf       3.47153624      10.85149630       5.48576795       1.39881091       0.48078718      -4.19625748 
Hf       3.48520987       3.50484061      10.40913754       1.14716649      -0.88768677      -0.25102280 
Hf       7.33917143      10.77529667       0.01041323      -3.64382179      -1.01263489      -4.37320869 
Hf       9.33330311       1.69655796       2.56765104      -1.40775715       3.10529291      -0.27982165 
Hf       5.53101849       5.28499078       7.85512330      -2.13170551       0.01986567       2.51495141 
Hf       8.84726340       2.00108371       8.14623099       0.34936593      -1.34062769      -1.57764446 
O      10.95319756       8.92180123       1.51050420      -0.65188760       0.90266760       1.23874576 
O       5.50872413       7.31739835       3.78221613       0.96105908       1.56985965      -0.50303506 
O      10.84145513       5.18029568       4.23085538      -0.08907717       0.32911355      -0.15743493 
O      10.61598525       1.95096516       4.31727872       0.41189385      -0.16734201      -1.80466347 
O       1.29018853      10.85375631       3.43920661       0.56353798       0.45555636      -0.15396482 
O       1.27458992       0.10748712       0.96338833       2.08948754      -1.13770611      -1.59015951 
O       1.64062737       3.74330190       0.62370462       1.23460717       0.41468152      -0.70989965 
O      10.68339620       1.74292682       9.36805112      -2.05549115       1.71530746       0.90209760 
O       1.38499452       0.09233180       8.95926010       2.83864460      -1.48066015      -1.48994973 
O       1.59849015      10.92193593       5.96172436      -1.72961335       0.60625976       2.29058947 
O      10.47890115       1.28131099       6.91539906       0.75105206       0.96026539      -1.02708086 
O       2.09471894       3.60417352       2.97320000       0.58699035       1.44315737       2.61661413 
O       1.65472434       7.32763049       0.79919717       1.76848016      -0.41544328       0.38617501 
O       1.85097281       7.13814099       8.98060632       0.80469506      -3.24083824       0.74371201 
O      10.90021873       2.10678709       1.40215366      -2.08905475       0.74412332       1.04869896 
O       3.81888537       5.07831614       6.81361905      -0.56107962      -0.51311111       1.23893467 
O       3.42482577       1.74839705       6.90067205       0.74615137      -1.36805410       0.14351015 
O       5.22072726       3.47784492       8.92383832      -0.22695621       1.50672860       1.10789846 
O      10.73838612       5.37277135       1.52402896       1.01853250       0.21514438      -1.14005511 
O       2.11751279       6.59067175       6.17485293      -1.31108010       1.47555373      -1.20227943 
O       0.19962456       8.36395579       7.26089173      -2.77521695      -0.64648712      -5.18015033 
O       3.41448791       1.77179106       4.39157032       0.80555263      -0.53602467      -1.10051397 
O       5.25183573      10.51428443       3.65247835       0.14305574       1.46739987      -0.39842777 
O       5.71648221      10.83048938       1.12884572      -1.61747868       1.21453732       0.24181332 
O       3.44665198       1.60469048       1.41209847       0.10767063       0.30550691       0.45773891 
O       3.83321407       1.29599181       9.45205678      -1.69610212       1.37722191       1.82532413 
O       5.76027038      10.92252405       8.70268486      -0.28502736       0.77463553      -0.84378069 
O       0.06836226       8.95884204       9.30356699      -2.27176752       0.52170717       3.66277491 
O       3.82207850       5.56190970       4.24057422      -0.54164503      -1.58647859      -0.94339564 
O       5.37137884       3.53599564       3.33616249      -1.40819240      -0.57184279       1.35723041 
O       5.04222368       4.25988048       0.85178319       0.71043429      -2.22350989      -0.65052073 
O       9.08406430       7.16089419       6.20566544       0.77518251      -0.39579410       0.04892219 
O       3.32535636       5.23764453       9.53042567      -0.31588898       0.12357851      -0.11795481 
O       5.69710192       3.52164263       6.41318019      -0.62386526       0.50067210      -1.25437244 
O      10.81180370       5.50774664       9.37263647       0.51630817       0.08604594       0.58396759 
O       9.00161372      10.10614363       5.98071711       2.98635258       2.22145091      -0.80758127 
O       1.83524361       3.28938430       6.14146065      -0.38977298       1.19694180      -1.08411491 
O       6.86633632       2.28859774       1.57433836       1.26875123      -1.60711655      -0.38752052 
O       8.99148227       0.16681518       0.81119486       2.53516415       1.44477330       1.34379453 
O       7.67529942       9.14196972       4.08456229      -1.75958254      -0.95036436      -1.04898886 
O       6.86998336       1.60235882       4.22041388       1.24158292      -1.30730039      -0.92255637 
O       3.44843792       8.92308221       7.06890297       0.60776264       1.68792056      -0.82280946 
O       8.87373134       7.38715257       8.87080343      -0.32550987       0.26847814       0.07584112 
O       7.25902193       2.08579189       9.32265190      -0.29356249      -0.07346904       2.78224873 
O       6.49175298       9.03624158       9.67713383       2.01102872      -0.09012102      -0.29045653 
O       5.06144072       7.09824504       9.26395431       2.49616312      -1.23835596      -5.11997151 
O       8.73714092       7.07435691       3.67909039       0.73798309      -0.49023511      -0.74890361 
O       5.24855967       7.43572633       6.42661769       2.26561353      -0.70996440      -0.01699296 
O       7.49107275       8.96229340       1.44306946      -0.05164649       1.56216326      -0.85570752 
O       9.16750005       7.48018084       0.78208469      -1.11828785      -1.09436688       0.53723204 
O       7.21410113       5.57444534       9.32741369      -0.58041834      -1.81590363       0.34269264 
O       3.41961499       9.21097116       9.63962887      -0.49672600       0.11716791      -1.41413015 
O       8.60442541      10.78919873       8.88246302       2.64470251      -0.84101830      -0.33981182 
O       7.08621689       5.90525584       6.94191055       1.75245302      -1.36398212      -0.24955762 
O       5.29503798       0.02021338       6.13649106       1.63374201      -1.31941742       1.93010047 
O       0.19569903       5.29908983       6.82234737      -1.51726014       2.07314319       1.99853287 
O      10.79702986       8.81806676       4.42234564       0.08269556       2.17523479      -1.35410902 
O       1.18394612       7.05854116       3.19131697       0.63488697       1.75852016       2.81714637 
O       3.34191197       8.99200498       4.39671019      -2.18700129       1.81999951      -1.42991590 
O       3.59719192       6.06166786       1.77250618       0.56815192      -0.18407731      -0.54777114 
O       5.40599366       7.58570410       0.91123044       0.93076101      -0.17314757       0.55942092 
O       9.45540905      10.84458844       3.23847975      -0.35491682      -0.05020028       1.16277298 
O       9.12504270       3.92803518       8.89514437       0.14824676      -3.79010328       1.42628851 
O       7.11326769       5.79496365       1.41404815       0.59026503      -0.69177790       1.57034183 
O       8.75981086       3.98699150       1.18235178       0.13569407      -3.29841959      -4.11821832 
O       8.83914391       3.61177556       3.65356410      -1.01079899      -0.64756911      -0.24862471 
O       6.73900164       5.24312352       4.30434120       3.00580891      -0.19756512       2.80087506 
O       3.68291593       9.01304269       1.51563396      -2.85081187       2.30108053       0.73944652 
O       9.01567476       4.08456147       6.32046853      -2.06776376      -1.47297681       0.32163249 
O       7.39606429       1.56697018       6.69285182       1.70199730       1.00876533       0.12637881 
O       1.38250696       3.44499303       8.60418018       0.66624335      -0.89550290       0.98349902 
O       7.28389030       9.02751250       6.94642288      -2.62733752      -0.86662788      -0.69705307 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011406193388888078 0.0014487095616468504 0.005962696194649154 0.0014487095616468504 -0.0037076461688935916 0.00847869997829393 0.005962696194649154 0.00847869997829393 -0.00988211023332391" pbc="T T T" energy=-1062.95477717 free_energy=-1062.95477971 config_type=crystal 
Hf       1.62085562       1.85115162       2.64892887       1.74824180       2.65805090      -0.89577652 
Hf       3.71116193       7.19602241      10.53485640      -0.76951073      -1.54093889      -1.32285364 
Hf       5.47121024       5.57426895       2.59286579      -1.62826727      -1.54981678       2.83958369 
Hf       9.13888517       5.61235277       7.97921528      -4.35169386      -3.57976677       0.57196467 
Hf       0.06585279       7.02246885       5.13882527       0.32152514       1.88848409       1.54473200 
Hf      10.61323562      10.94505090      10.01057799       3.33047611       1.12853633       4.13479490 
Hf       7.28614329       3.33166898       5.15096157       0.49620593      -2.44396557       1.01362498 
Hf       7.28394968       6.92244123       5.16530508      -0.94139259       0.46156831       1.46526935 
Hf       1.87311379       5.41083391       2.02727565       0.08577541       0.47655580       4.99264780 
Hf      10.91961052       3.78359686       5.76702659      -2.04111952       0.23286243      -2.20212369 
Hf      10.68256410       3.73010233      10.53111892      -0.39519347      -2.38935270       0.09226772 
Hf       1.92825830       5.22363017       7.85394954       0.65744511      -0.03360805       2.64522681 
Hf       9.14727319       8.96636487       7.76661243       2.75069993      -0.28806099      -2.29851269 
Hf       1.59374445       1.49784965       7.57456138       0.07401692       0.39568394       1.80641299 
Hf       7.22843618       7.36092029      10.49188016       0.30303590      -1.89977864       0.14572875 
Hf       9.16692475       8.82133340       2.55860342      -1.00192568       1.80372538       0.70933366 
Hf       5.52559626       9.05687655       2.44180325       0.49895298       3.26007231      -0.75514642 
Hf       5.48816487       9.07913750       7.88883806      -1.17418876      -1.06291904      -0.42708485 
Hf      10.70330939      10.94313886       4.97269549       2.83281838       0.41678911      -1.23395498 
Hf       3.87485716       3.82009217       5.11093275      -2.19563631      -1.88394931      -1.23094072 
Hf      10.86801138       7.18804721      10.48807243      -0.32104870      -1.35293054       0.69716266 
Hf       1.84875127       8.81027693       8.23548738      -0.29332815      -1.95900463      -5.69562358 
Hf       6.90221207       3.70257757       0.23246654       5.81535129      -2.81649598      -4.10766929 
Hf       8.98270093       5.38076079       2.33464816       2.60689907      -3.03161592      -0.22123376 
Hf       3.53600331       7.32534802       5.19291498       0.80399553       1.23259733       0.33879525 
Hf       3.10689558      10.64749723       0.10268602       4.83322295       4.33137972      -1.95113937 
Hf       7.12714631      10.69562584       5.21578975       0.92226129      -0.92751517       0.76400538 
Hf       5.31488904       1.60289501       2.53697394      -0.40890546      -1.08785202       1.29114192 
Hf       5.08759412       1.71024814       7.89799431       0.95628509       1.51114694       0.71243437 
Hf       1.53821846       8.95052173       2.55996383       1.27960492       1.12684451       1.65955884 
Hf       3.62271414      10.77293598       5.37054810      -0.51183563      -0.55327633      -2.29683297 
Hf       3.48163493       3.44099332      10.35818700      -0.31979625       0.08877881       0.48055628 
Hf       7.35847053      10.76127364      10.45652460      -1.60205338       3.31745982       1.97214021 
Hf       9.23944460       1.84932898       2.73636643      -1.25811271       0.85916361      -3.08266986 
Hf       5.63739556       5.38959954       7.96235428      -0.25871555      -2.98334671      -1.87191237 
Hf       8.85489228       2.04973799       8.01702061       1.29600203       1.45728316       1.59774774 
O      10.80733300       9.02252664       1.48428171       0.32655222      -1.47463492      -0.38823605 
O       5.52489431       7.56823531       3.68836993      -0.77476396      -3.87454655       0.37933063 
O       0.31779521       5.13851213       4.41658387      -1.53013173       1.08665183      -0.40699887 
O      10.69209450       2.09607563       4.20940733       0.34751458      -1.06347966       0.64320128 
O       1.49992965       0.12065251       3.38350119      -1.00142785      -2.78585552       1.10167461 
O       1.54495651       0.25497143       0.76814465      -4.72954523       0.72535660       0.95516592 
O       1.71251516       4.05191588       0.67892100       0.67299794      -0.43033017       0.40601418 
O      10.74501757       1.92973944       9.36275830       0.28153629      -1.72999119      -0.20971490 
O       1.75188796      10.65518746       8.75635344      -2.05481816       2.95031926       1.62013359 
O       1.52340846      10.94274182       6.19126527      -1.83411568       0.37515142      -1.55544690 
O      10.77935071       2.07900464       6.70626966      -0.78488709      -2.80658231       2.45846053 
O       2.30224695       3.67065617       3.42039870      -1.02580033      -0.05601485      -1.66546757 
O       1.86794432       7.31067805       0.81968382      -1.73301847       0.19906948       0.53414233 
O       2.03316014       6.96418545       9.01071062      -2.04145466       1.71883615       0.27270774 
O      10.82156177       2.36155747       1.67953314       1.36862423      -0.08535523      -0.39686241 
O       3.65563911       4.78015144       7.14615348       2.15783012       1.16578528      -2.17098507 
O       3.45114876       1.00137073       6.96888195       1.80369202       3.20138905       1.88672108 
O       5.15208245       3.56262059       8.93761903       1.33754985      -1.37674935       0.34730496 
O      10.80366767       5.56592869       1.38328580       0.81638930      -0.29744102       1.08632137 
O       2.02012502       7.19212536       6.49591835       0.31718642      -1.71590778      -1.63067386 
O      10.95219093       8.32648495       6.93338885       0.42440193       1.92448707       1.57754457 
O       3.66477488       1.62504432       4.37206313       0.29063640       1.15271483       0.82898867 
O       5.12045708      10.66971227       3.66225107       0.29569381      -0.76682729       0.53422478 
O       5.52771197      10.86994752       1.14508056       0.23138155      -0.02228756      -1.49143354 
O       3.48433854       2.01493034       1.62470143       0.24430141      -0.77750498      -0.43066765 
O       3.40193397       1.67337748       9.64664135       2.02884721      -3.52511340      -1.82789567 
O       5.97109264       0.30681643       8.81143420      -0.53362250      -1.95937300       0.78827743 
O      10.55076254       8.93945299       9.60564190       2.01960529       0.59810936      -1.16641487 
O       3.43444514       5.55109843       4.23576268       1.76276116       1.71585935       1.26556631 
O       5.23249839       3.66279217       3.46864320      -0.06756825      -0.59344189      -0.22134779 
O       5.21571336       3.93351241       0.93905610      -2.53218808       1.50861627       1.88342995 
O       9.13505298       7.21769031       6.01918389      -1.63395045      -0.59143087      -0.42604778 
O       3.42452744       5.33091614       9.52924299       1.49339511       0.64882309       2.18793895 
O       5.67423905       3.59142150       6.28665481      -1.89502164      -0.91007212       0.41900758 
O      10.76961894       5.37213995       9.48972893       1.11577958       3.03499313       0.67248629 
O       9.33096182      10.51012652       6.19949988      -2.15102044      -0.23969195       0.35357042 
O       1.86763656       3.59933173       6.08133356       0.29691518      -0.74143520       1.31513625 
O       7.21316351       1.75714694       1.59108700      -1.09092455       1.14573823       2.36576132 
O       9.38542157       0.13497529       0.86747914      -1.67370272       0.18757990      -0.95637122 
O       7.30268028       9.03854026       3.94526180       1.28100522       0.78118322       0.72153149 
O       6.69357412       1.40767706       4.32579977       1.25624466       2.13897336      -0.63666539 
O       3.43571428       9.38607893       6.98654927       0.59429307      -1.96215525       1.08041921 
O       9.06704843       7.28343990       8.92581595      -1.62852458       1.35419634       0.79679155 
O       7.48230784       1.95043872       9.93354581       0.26446449      -0.50062952      -2.63127843 
O       6.59698317       8.97830012       9.61678471       1.29734278       1.68290479      -0.94267723 
O       5.23771750       7.06484064       8.68179420      -0.87795653       2.87180486       2.98635210 
O       9.00226023       6.96077343       3.43361097       0.07582404       1.28984527       1.77033776 
O       5.39331615       7.37361709       6.29683431      -0.75622763      -0.44779907      -1.38590475 
O       7.51776244       9.10753348       1.21621195       0.66960137       0.00409345       1.20864214 
O       8.96049432       6.99153831       0.79549254       1.71399548       1.28592948       0.21498941 
O       7.29981408       5.38212547       9.41687649      -1.97201726       0.41188709       1.89159135 
O       3.41034216       9.04247193       9.62151429       1.15231409      -1.58278868      -0.29664415 
O       9.13778311      10.78586044       8.80891225      -3.36958748       0.66466436      -1.58151699 
O       7.33898156       5.60113361       6.85948807      -1.17462448       2.21474464       0.22025980 
O       5.56524405      10.43740530       6.45243160      -1.12518595       2.62370019      -3.25815685 
O      10.81636830       5.53231207       7.20410289       4.75388041      -1.68045670      -4.63466301 
O      10.76407476       8.99565804       4.08462064      -0.01256148      -0.05352116       0.58430141 
O       1.33335046       7.16124051       3.48375647       0.93608507      -0.05419408      -0.87184037 
O       3.01926796       9.09096264       4.27074357       0.22863592      -1.46652289       0.43549259 
O       3.81625538       6.35715688       1.89516654      -2.10871830      -1.57076742      -1.63660253 
O       5.50272769       7.65030178       0.90701572      -0.17363115      -0.93211694      -0.97770589 
O       9.24176968      10.90766498       3.41787261      -0.52903103      -0.20091416       0.70133230 
O       9.16041502       3.75848352       9.09620488      -0.61624675      -0.17910716      -2.37982557 
O       7.21338351       5.77987812       1.72828401      -2.46517540      -0.92920991      -1.79699620 
O       8.87100308       3.60737508       0.89124590      -0.12835373       2.23068582       1.67145822 
O       8.72539094       3.68564332       3.61053567       0.17891483      -0.49812316      -0.53295825 
O       6.87239784       5.04193937       4.40789966      -0.41437247       5.97041273      -1.32976386 
O       3.40094837       9.51175236       1.62287143       0.08739494      -2.55606530       1.95199014 
O       8.71838743       3.80369597       6.51232708       2.51517033      -1.29386025      -0.14992161 
O       7.44343968       1.61257727       6.75940307      -1.42623593      -0.84452767      -0.37653730 
O       1.90964570       3.36591864       8.99540306      -1.52377648       1.02794754      -3.14965358 
O       7.30207310       9.00272619       7.06078178       0.67299520      -0.61891540      -0.61838074 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016262795344616728 3.1867666359097084e-05 0.0077732829379206485 3.1867666359097084e-05 -0.018849973085314418 -0.006870639938874835 0.0077732829379206485 -0.006870639938874835 -0.0027127444524997534" pbc="T T T" energy=-1059.4515194 free_energy=-1059.45154282 config_type=crystal 
Hf       1.48428251       1.60955801       2.14032655      -1.48296192      -1.39475382       1.89965081 
Hf       3.32458220       7.28242943      10.31025500       1.84856541      -2.51515214       1.26129065 
Hf       5.23621554       5.42359886       2.70824805       2.03504363      -2.55147976      -1.13255037 
Hf       9.11719941       5.30148011       7.88834190       3.02625414       2.24208256       0.93750791 
Hf      10.70683865       7.05613062       5.06698152      -2.21822450       0.37408756       4.07177788 
Hf      10.66830979      10.67945599       0.22461564      -1.23179929       0.30864969      -2.06670407 
Hf       7.13211398       3.95728759       5.37873232       0.63402197      -3.32557366      -1.59333854 
Hf       7.26519684       7.40171813       5.40369527       2.04942524       2.49618943      -2.43538981 
Hf       1.76042936       5.41349282       2.77781464      -3.12492343       0.62654822       0.08866796 
Hf      10.87392718       3.45089470       5.02329389      -0.70508297       0.64593660       2.37550228 
Hf      10.83572284       3.53835929      10.55815676       0.89387242       1.46966222      -0.04291847 
Hf       1.84571426       5.32956143       7.84785551      -1.08664159       1.34371585       0.37733920 
Hf       9.30637064       9.39313438       8.06629931      -1.93316484      -1.85314058       0.64666601 
Hf       1.97510276       1.72992161       7.80483612      -1.94250047       1.87924973       0.55192165 
Hf       7.05852209       7.31648878       0.04702525       1.55265124      -0.58935479       0.01141928 
Hf       8.92570058       9.18641909       2.71956602      -0.40507787      -1.77767510       1.75251873 
Hf       5.10086994       8.91217091       2.24869218       2.02367126       0.85700012       0.41531642 
Hf       5.36989244       9.04263101       7.95687206       3.53437723      -1.38014127       0.09600230 
Hf       0.07832028      10.85966225       5.19213810      -2.26890396      -0.54560821       0.11015657 
Hf       3.34570055       3.36897197       5.06026123       2.52302323      -0.84308896       1.34024586 
Hf      10.92638429       7.39090149      10.36399214       0.32613477      -1.62312312       3.03240751 
Hf       1.90674389       9.14497791       7.82362638      -2.55323698       0.65949801      -1.21238245 
Hf       7.31350064       3.67054661      10.29330472      -0.06787650       1.59482744       2.92143898 
Hf       8.73759450       5.31561302       2.84920443       1.23245817       1.95198828      -3.99982531 
Hf       3.88249843       7.02855513       5.21100001      -2.89092446       1.78131037       2.72843080 
Hf       3.51555405      10.63489399      10.51255654      -1.31502673       2.18852475       0.24116960 
Hf       7.41465662       0.08741628       5.31130025       0.37712251      -2.06640218      -0.76845262 
Hf       5.34981524       1.66018087       2.32731893      -0.72776779       1.03111730       4.41489361 
Hf       5.52948411       1.85397311       7.81862554       0.64581419       0.41668764      -0.31624966 
Hf       1.79555561       8.93267638       2.77558308      -1.97088236      -0.51419243      -2.92529954 
Hf       3.62941220      10.69180658       5.33105414       0.48719939       2.52497293      -1.84610318 
Hf       3.58174648       3.53246277      10.56391534      -0.84089737      -0.20690497      -0.49863184 
Hf       7.09211538      10.87995769      10.44399354       4.48765306       0.37135511      -2.67865198 
Hf       8.74653591       1.52005494       2.34936114      -0.37402005       2.83541083       2.22665797 
Hf       5.52516646       5.37962991       7.81715438      -1.62997604       0.56090455       2.61817632 
Hf       9.40815889       1.88639312       7.75513629      -1.36754692      -1.57869548       2.02762673 
O      10.90263234       9.01847917       1.61885569      -1.69913969       0.95829925       0.21598463 
O       5.26347045       7.27003249       3.47959692      -0.52350904       0.52800108       0.99512892 
O      10.13768847       5.10958094       4.24995219       1.17994575       1.38087517       0.87752009 
O      10.41164829       1.90986033       4.04709145       2.16273722      -0.56956525      -2.03166408 
O       1.58735075      10.71926045       3.53612204      -1.80267373       0.89212604       0.87435390 
O       1.67419775      10.69098652       0.84446395      -1.01358661       1.68394608      -0.23824453 
O       1.71800203       3.25777405       1.01618725      -0.52287529       1.28451090       0.73041156 
O      10.80839518       1.18857503       9.17963179       1.57930292       2.06673270      -0.67854115 
O       2.11750074       0.06459176       8.70596104       2.19524132      -2.85147539       3.23910750 
O       1.81070688       0.03375270       6.40494016      -0.94638145      -0.96819778      -2.51973531 
O      10.92435918       2.08418442       6.46338213       2.19984067      -3.28202416       1.85489054 
O       1.58731646       3.78212942       4.03034057       2.10671159       0.46525402      -2.37273143 
O       1.81067730       7.29405528       0.80841676      -1.97906864      -0.31945286       1.99085894 
O       1.88538901       7.42325171       8.79268198      -0.98237922      -1.67063579      -0.30351814 
O      10.53778888       1.46640878       1.17547206       2.44900077       1.43470093       2.01958843 
O       3.66818110       5.79707257       6.99070722       1.07455753      -1.71867198       1.35486693 
O       3.77123334       1.43152170       6.95273597      -0.92441820       1.23974344      -0.79527636 
O       5.74390387       3.55877843       9.05527398      -2.00866665       2.19554476      -2.13250202 
O       0.18297966       5.14804330       1.83340312      -1.48050373      -1.12961933      -0.82622470 
O       1.96569966       7.03335693       6.03663787      -0.67981507       0.74608449      -0.12798230 
O      10.91202744       9.13391334       6.85905515       2.61248426      -0.87912116      -0.47206725 
O       3.02437849       1.55487256       4.38101403       0.43323771       1.20605746      -0.70964022 
O       4.75100662      10.93626737       3.18134229      -0.27305471      -1.61342113       0.27824477 
O       5.58375038      10.26380496       0.74770689      -5.59694780       0.78032354      -0.10152769 
O       3.12015497       1.55906444       1.26188168       6.87604068      -0.80904349      -0.63566921 
O       4.09201900       1.94590677       9.39143407      -1.40078929      -0.98767331       1.29281147 
O       5.95697890       0.19328389       8.83443939      -1.93579315      -2.38866377      -1.03687031 
O       0.04675977       9.43295232       9.35057651       0.81938647      -2.32381529       0.42936571 
O       3.85485195       5.27249294       4.45360999      -0.45347390      -0.87699933      -1.86031842 
O       5.64037866       3.46833730       3.84903438      -1.45628057      -0.33973161      -1.34010965 
O       5.40190916       3.93230166       1.11724438      -1.19041520      -1.92032070      -0.77225158 
O       8.84518669       6.64174270       6.12381321       1.80911232       0.06970653       2.21620590 
O       3.37620392       5.37138892       9.68739156       0.38688128      -1.55825508      -0.78308697 
O       5.31972590       3.60008671       6.38033902       0.02451026       0.52529170       0.23907533 
O       0.21000636       5.33568627       9.73002288       1.18016939      -0.04501156       0.17027883 
O       9.24971486      10.81395119       6.70259957       0.00471761       2.11597167      -2.54449747 
O       2.00325431       3.59645074       6.43903151      -0.38430690       0.53522456       1.70470823 
O       6.77879679       1.48479174       1.16028800       1.96617686       1.26158405      -1.29626726 
O       8.67956046      10.76947804       1.26702867       1.05284099      -1.68608252      -0.71730801 
O       7.26452217       9.14842861       4.28870031      -0.02195294       0.67032509      -0.15784690 
O       7.07593611       1.12782258       3.67140179      -1.80631781       0.83934983      -0.78260091 
O       3.68630846       9.19755214       6.71440584       0.56516989      -0.96113874       1.21940896 
O       9.67215434       7.04560771       9.05803996      -3.43986560       1.44950687      -4.63695380 
O       7.69412578       2.13183141       9.34998437      -0.76193865      -2.96901286      -1.74408869 
O       7.28010445       8.93525432       9.43902765      -0.35848519       0.51182945       0.54688338 
O       5.32066570       7.22772206       8.92806845       0.41045286      -0.24147040      -1.91808066 
O       8.94914763       7.25971972       3.84843257       0.12488617       0.31113740      -2.56494909 
O       5.52997373       7.17165265       6.36792722      -0.05780652      -0.02692910       0.00317678 
O       7.12188897       8.75252260       1.60796214       1.28723920      -0.33125882       1.25698816 
O       9.35118900       6.90644580       0.91052085      -1.44540948       0.63051655       0.82106064 
O       7.33183091       5.60076505       9.48221636       0.69051844      -0.97448274      -0.48574256 
O       3.59856909       8.95325196       9.36596539       1.33200625       4.36879051      -1.92090017 
O       8.90179996      10.93427524       9.27239681      -0.66914980      -1.32064768       0.38529389 
O       7.31976353       5.06037689       7.04119838      -2.15664517       0.07301148      -1.04203941 
O       5.46324807       0.12099817       6.16428366       1.05828594      -1.79981684      -1.19103278 
O       0.02616698       5.78780259       7.06139805       0.82592093      -0.84226459      -0.69970722 
O      10.32780652       9.08365652       4.42303153       1.75630688       0.38293565      -0.04925177 
O       1.12718560       7.18351033       3.73871206       2.37005658      -0.52894050      -3.66552172 
O       3.24738546       8.80654477       4.15777792       1.31615009       0.23985607       0.18788330 
O       3.40782009       5.53203269       1.85512135       2.03219671      -0.39262245      -1.22370283 
O       5.16167223       7.57301826       0.60612223      -1.26343656      -0.11235550       1.93179247 
O       9.17775739       0.15813868       3.80356214       0.01776961      -3.22962129       0.03231025 
O       9.56002231       3.48735484       8.97929045      -0.43063355       2.33504479      -1.01969874 
O       6.90429284       5.98804321       1.62823717       0.71728319      -1.71269389       1.22453046 
O       8.99052132       3.32078431       0.83970365      -0.37575396       0.98578862       0.29920338 
O       8.39730322       3.35462399       3.20780276      -0.75404705       1.42427951       1.92352598 
O       7.26356363       5.57746547       4.19286319      -2.33205083      -1.12198641       1.80543343 
O       3.28091794       9.11418202       1.25605083       1.37476718      -0.10122847       1.77719936 
O       9.34782036       3.80183269       6.47463951      -2.22820353      -0.74253149      -1.21240294 
O       7.45583683       1.60831220       6.55294006      -0.03439571       3.32349774       1.26240017 
O       1.73543632       3.32589265       9.20246405       0.77553951      -0.21341905      -1.88982422 
O       7.43574857       8.81305176       6.91247236      -0.88979583       1.07394873       0.72524053 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009725794208767922 -0.0012007133764312635 -0.014387395178997234 -0.0012007133764312635 -0.02871320883900393 0.0015082572224736337 -0.014387395178997234 0.0015082572224736337 -0.0021935341362334776" pbc="T T T" energy=-1059.12522123 free_energy=-1059.12522698 config_type=crystal 
Hf       1.54881641       1.57889567       2.00128158       0.11420789      -1.24518284       3.87144020 
Hf       3.25292679       7.33684733      10.35580441      -0.13568409      -2.04895750       0.49156299 
Hf       5.21124780       5.38042269       2.63829541       0.86127892      -2.57280791      -0.44283388 
Hf       9.12142109       5.42074351       7.90990229      -0.78710435       3.10779324      -4.41407709 
Hf      10.68254952       7.04744821       5.20235544       1.32899148       1.25261371       0.18315768 
Hf      10.53481531      10.57693511       0.14041919       4.01637718       1.72865870       0.32846994 
Hf       7.27337265       3.84032966       5.39552093      -0.94986660      -2.52250730      -1.19092795 
Hf       7.35289031       7.52550132       5.40414626       0.92244419      -2.15971791       1.23821418 
Hf       1.76851117       5.40788905       2.86523062       0.07822718      -1.69490763      -5.48266446 
Hf      10.86035938       3.49775154       5.01104205       0.86672241      -2.44157870       1.30756404 
Hf      10.82835756       3.55998676      10.51370777       1.48971639       0.73399992       1.81931966 
Hf       1.66915219       5.43811052       7.86708602       3.34622723      -1.77580727       0.48510004 
Hf       9.18038201       9.34197523       8.12142205      -0.48899404      -2.04521253      -5.58901904 
Hf       1.94364556       1.82123363       7.92994147      -0.45900808      -0.11083584      -0.25861380 
Hf       6.98788482       7.29905746       0.01477888       0.64437247      -2.05423127       1.69995543 
Hf       8.97412435       9.21780945       2.82149696       0.50568501      -4.28916324      -0.26813722 
Hf       5.19829080       8.91275212       2.33972712       0.78053335       2.16923038       1.33802687 
Hf       5.40037312       8.99908902       8.09772608       1.81463684      -0.17606045      -4.87165182 
Hf       0.06837727      10.81988134       5.16381288       0.88836785       1.02459103      -0.61938093 
Hf       3.37730083       3.32103608       5.14606436       2.25143242       0.92709761       3.14035077 
Hf      10.86094542       7.26148265      10.37613524      -0.41848731      -1.57106995       2.68543346 
Hf       1.83242091       9.23065931       7.79583654       3.62342536      -0.75960586       0.34296566 
Hf       7.38372707       3.67866895      10.24799680      -1.90995873      -2.16645930       1.69714722 
Hf       8.78765706       5.32698633       2.78577034       1.55902429       1.79583400      -1.88130840 
Hf       3.87151033       7.08990051       5.27355826      -2.01307587      -0.07749787       0.96739027 
Hf       3.57438350      10.67815705      10.45138526      -3.23925444       2.25123594       2.00020712 
Hf       7.47822103       0.15636841       5.21199031      -1.10940223       0.02156984       1.95560674 
Hf       5.24209585       1.69679001       2.30573366       8.74183802      -0.25451029       4.28189675 
Hf       5.52971079       1.97748536       7.87425443      -1.87219905      -0.82907153      -1.31855045 
Hf       1.80567841       8.89211584       2.73052324      -1.33652518       1.59642766      -0.65825912 
Hf       3.66895799      10.60192290       5.18572658       0.96677030       1.32298966      -0.30442942 
Hf       3.54600143       3.61078656      10.59568074       0.50798835      -0.18366563       1.13990215 
Hf       7.11033904      10.73048608      10.35188677      -0.24113298       3.70740898       1.02119898 
Hf       8.63647555       1.46384814       2.40299847       0.13778692       2.79256788       0.39362844 
Hf       5.41943733       5.35825958       7.80605696      -0.80212980       3.69824092      -3.25319065 
Hf       9.52027909       1.90304285       7.81610084      -1.59143868      -0.36787821      -1.53091099 
O      10.54306387       9.11381006       1.59383088       2.88191361      -0.07026092      -0.58921386 
O       4.93015848       7.26984262       3.36775241       2.36475902      -2.03098866       0.99296786 
O      10.07322216       5.21659335       4.60382625       0.86098407      -0.54451911      -3.08098707 
O      10.73789420       1.87745051       3.74492301      -0.27072094       0.91524186       0.35239257 
O       1.40705728      10.75987588       3.52507299       0.42354770      -0.63848397      -0.31370771 
O       1.80458391      10.83081981       1.00978338      -0.88108586       0.01809669      -0.83376722 
O       1.79885808       3.43065601       1.36271964       0.17173831      -0.48831228      -2.22929154 
O       0.12115638       1.45640606       8.96562134      -1.68944394      -0.10260461       1.29602199 
O       2.32240336       0.14348394       9.14816272      -3.14229398       0.97788399      -4.89485490 
O       1.79141337      10.66984451       6.30559069       1.71301227       0.00363217      -0.61496876 
O       0.13057350       1.62629560       6.44776122      -0.05312839       2.52420418       0.18500488 
O       1.85474738       3.76555200       3.90680332      -2.49903734      -0.49905823       1.98961062 
O       1.67922809       7.02325823       0.90732907       0.40201669       1.63252738      -0.74168621 
O       1.75222967       7.16441983       8.78552420       1.52299614       2.48549982       0.43188491 
O      10.68996027       1.63104744       1.11807153       0.17164843      -0.55466895      -0.77630554 
O       3.69704709       5.25788322       6.81039198      -1.13783149       2.66250923       0.65787551 
O       3.63031596       1.61731815       6.84044962       1.99083355       0.04389438       0.85124354 
O       5.46713658       3.90268398       8.87287471       1.84323367      -4.76584536       2.38371419 
O      10.94120622       5.22910039       1.93384579      -0.90286835      -2.21327283       0.98216543 
O       1.75225553       7.30933900       6.03921158       1.33619064      -0.39104910      -0.25449289 
O       0.15782458       9.13595740       7.21055087      -5.95113588      -0.23876257      -1.08831763 
O       3.03223241       1.55247090       4.51685966       0.58466073      -0.91568263      -1.86228348 
O       4.67975208      10.72844509       3.18657728       0.51553710       0.35167883       1.29464315 
O       5.19348068      10.38294368       0.63108997       6.83193933      -0.90483487       1.11681887 
O       3.82797644       1.60168865       1.33584889     -10.16458573      -0.59625108      -5.12515286 
O       4.11451386       2.01067174       9.41244643      -0.44408929      -0.85689535      -0.18477779 
O       5.76169598      10.90815285       8.76813176       0.20104376       0.48838393       0.31181195 
O       0.52271514       9.04599724       9.75840008      -0.91210010       2.22807500      -0.49429775 
O       3.90644079       5.26071283       4.24952224      -0.97158604       0.29787262       0.79423595 
O       5.42947051       3.31319782       3.33368052      -1.23953006       2.18209193       2.17278677 
O       5.41710798       3.51432731       0.88552591       0.83945374       1.29880902      -1.47234349 
O       9.03785442       6.74834678       6.32517643      -1.32785698       1.84749465      -2.51769763 
O       3.49995424       5.35811879       9.67005460      -0.12162031       1.61313340      -0.25819766 
O       5.35840299       3.59574572       6.21615276       0.66921423      -1.76257793       0.27087119 
O       0.47739850       5.40800551       9.91449279      -1.50883046      -0.85469716      -1.71738350 
O       9.42139823      10.78557087       6.38866727      -3.21859303       0.12914191       1.79916247 
O       1.98077917       3.59234794       6.73940737      -1.11732246      -0.70721702      -1.75080454 
O       6.98369228       1.46473952       1.06172496       0.29309046      -0.54589589       0.58699510 
O       8.89390364      10.69017917       1.16024123      -2.79841357       1.02572558       0.86301518 
O       7.27261548       9.17094538       4.42073768      -0.32042781       1.13876458      -0.93214975 
O       7.03172098       1.28902763       3.57603543       0.37578519      -1.67838708       1.81453457 
O       3.95651903       8.95221914       6.57918774      -1.74233488       1.17644139       0.37367049 
O       9.55532591       7.45494370       8.36224522       0.81032864      -2.11031110       4.60940553 
O       7.66711014       1.79412432       9.28461538      -1.23903968       1.93254888      -0.82143617 
O       7.40849672       8.92791786       9.49295356      -0.19394854      -0.45231984       1.20723207 
O       5.50529797       7.16313995       8.86716683       0.44795165      -0.38047208       1.55444827 
O       9.19846072       7.31776789       3.59296456      -1.53037218      -1.17368470       0.85621842 
O       5.54611685       7.33595770       6.32621690       1.01748282      -1.53642418      -0.89689188 
O       7.26377410       8.78649365       1.87048355      -1.85264391      -0.49810063      -2.41970342 
O       9.34074848       6.87691434       1.07117244      -1.33068466       0.32488066      -2.87338640 
O       7.63222273       5.38196321       9.24016257      -1.24813302       1.99291706       2.58342878 
O       3.61914982       9.16645189       8.98599012       0.35051557      -2.17354205       3.94805048 
O       9.04828310      10.84898311       9.30257340       0.77032657       0.49786113       0.84885966 
O       7.18191820       5.15153136       6.85924711       0.83870138       1.05801572       1.48680217 
O       5.57646563       0.00074577       6.11396736       0.40425531       0.51333847      -1.22586203 
O       0.15136503       5.53969072       6.77904833      -1.81210162      -0.82560085       0.56302028 
O      10.62849459       9.00503287       4.44478792       0.61082417      -0.39819606       0.55308431 
O       1.16922487       7.12172605       3.34766743      -0.44980356       1.39601331       2.64414949 
O       3.41398831       8.68754267       4.03720244      -2.15399694       2.37236342       0.96328308 
O       3.49441993       5.26783675       1.72084084      -0.03062877       0.27220980      -0.79966715 
O       5.11056961       7.56070120       0.74543760       1.20466168      -0.92239734      -1.38954391 
O       9.08456039      10.81276158       3.86533311       0.44261352       3.59519066      -0.30169806 
O       9.49732999       3.82964131       8.91802192       1.13763495      -4.11161853       0.93950467 
O       6.96925633       5.81261333       1.49416647       0.35743227      -0.72343660       0.33364398 
O       8.90827057       3.50232052       0.86183408       0.20412230       0.34458311      -0.16700245 
O       8.20664932       3.44364818       3.36613734       1.63777078      -0.17222529       0.40661253 
O       7.25766076       5.52292387       4.38407475      -0.64832525       2.56679265      -1.88282458 
O       3.41042542       8.95290510       1.51300286      -2.43138312      -0.09286183      -2.53329647 
O       9.10608871       3.71712604       6.27478880       3.35903588       0.12523135       1.10740191 
O       7.72723306       1.99349767       6.48844510      -2.24674778      -2.84574756       0.09975807 
O       1.62725020       3.33817137       9.27181009       1.05076738       0.38489375       0.20758781 
O       7.40136875       8.89527446       7.01908145       0.87237485       0.64583489       0.47285427 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015807493837573294 -0.007511204928200137 0.007464105401830614 -0.007511204928200137 -0.021251538799136122 0.0024151610064487594 0.007464105401830614 0.0024151610064487594 -0.0021551648708217127" pbc="T T T" energy=-1059.75416839 free_energy=-1059.75417102 config_type=crystal 
Hf       1.66006188       2.05523078       3.03055430       0.38595608      -0.73628521      -0.93932282 
Hf       3.74446466       7.33126842      10.27653747      -0.87769817      -0.89236400       0.78144315 
Hf       5.23781665       5.17448571       2.75797976       4.68287730      -0.48094615      -0.13638947 
Hf       8.86278170       5.57198462       7.69182253      -0.38749027       1.32495079      -1.15489675 
Hf      10.93757716       7.11560581       4.97621953      -2.99007229       1.44369192       0.76343922 
Hf      10.85971933      10.65717324      10.11473401       3.49541871      -1.00996416       0.41100877 
Hf       7.26786178       2.93164176       5.34201923       1.27309983       3.49271252       1.82291803 
Hf       7.28418995       6.94483738       4.92660942       1.38489029      -1.30438258      -0.51881764 
Hf       2.13693362       5.46338700       2.52984539      -2.69917846       1.98995651      -1.97627224 
Hf      10.83012137       3.70294087       5.28165756      -0.25562056      -1.47002749       1.50401415 
Hf      10.64766496       4.21554078      10.30129688       0.98934707      -4.38877594       1.92874403 
Hf       1.73285169       5.57834611       7.75649511      -2.12122494       0.30829893       1.51050747 
Hf       9.22874935       9.11695882       7.71818160      -3.03129802      -2.50412706      -2.89017011 
Hf       1.66181693       1.85360992       7.91650205       3.25943453      -3.74510556       2.89670299 
Hf       7.26687366       7.32211622      10.36555439       2.14442652      -1.58810664      -0.20652512 
Hf       8.97652744       9.16352587       2.63473161       3.30275700      -0.97226088       2.59239102 
Hf       5.27152059       8.73286293       2.49704610      -0.76367282       4.66201947       0.45203146 
Hf       5.33749324       9.23491593       8.08183647      -0.34665427       1.00935543       0.35182152 
Hf      10.80262696      10.86625009       5.29211947       3.88361081       0.24362261      -1.24713236 
Hf       3.76454350       3.68650830       5.36657519       0.47073326      -4.37648258      -0.14241285 
Hf      10.72487365       7.24324869       0.09361641       0.29178594       1.77274777      -0.20020989 
Hf       1.95855449       9.15703696       7.51751395      -0.24185509      -0.10672020       1.70644274 
Hf       6.83864657       3.40637817       0.11461740       2.22881491       0.81335708       0.29856743 
Hf       9.16432139       5.05789481       2.45297773      -1.72594074       1.21731162       0.48286383 
Hf       3.50292189       7.00937468       5.24514365       1.53640710       3.47690149      -0.64561304 
Hf       3.60480480       0.10927109       0.05409077      -0.68384070      -4.03513124       1.43517762 
Hf       6.95564602      10.68086953       5.38679995      -1.24990053      -1.29428719      -0.05234505 
Hf       5.08409762       1.62048903       2.70399560       1.71108423      -1.44268962       0.64390437 
Hf       5.45343435       1.80433071       7.95028516       0.04650044      -3.29266933      -2.73573660 
Hf       1.55043538       9.10923769       2.54270222       0.86905285       1.85709220      -2.16860446 
Hf       3.55777245      10.74519506       4.98455394       1.59749357      -2.48057361       0.08560144 
Hf       3.47605186       3.61132417       0.03872623      -0.35882936      -0.00089223      -1.28909388 
Hf       7.41990389      10.92303592       0.15887900      -2.74276028      -0.08485763      -1.16725174 
Hf       9.09803529       1.76874475       2.34681773      -1.03418683       4.05806490      -1.14044331 
Hf       5.25709658       5.26627048       7.71372688       3.98794776      -0.43174711       2.36050886 
Hf       9.32419375       1.83369104       8.15592889       0.07117016       0.24297637      -0.40492216 
O      10.62456479       8.96491682       1.33817718       0.93197541      -0.26700702      -0.89323842 
O       5.79191383       7.15141834       3.40055946      -1.32709082      -1.52757749      -0.22195370 
O      10.41455481       5.26945079       4.18884553       0.54437228       0.65868455      -1.88795710 
O       0.26324540       1.87346976       4.53430919       0.00618377      -1.15999132      -0.93858280 
O       1.91106034      10.87507351       3.66404132      -1.39353951      -0.19712138      -2.15292536 
O       1.60620460      10.58383607       0.75776830      -2.02620311      -0.48713018       0.41057943 
O       2.80649137       3.67505566       2.11974987      -0.17028954      -1.55638723      -2.23454305 
O      10.93027268       1.75836284       9.65948384      -0.71722704       0.62568965      -1.88713894 
O       1.71584786      10.54147580       8.89368012      -0.39741583       1.36259157      -0.82598879 
O       1.99801176       0.02324655       5.98999208      -2.19710282      -0.99878142       3.90262328 
O       0.16213204       1.06414587       7.00088088      -3.12441882       0.59236064       1.41375536 
O       1.96908835       3.85209969       4.35966632      -3.39406122      -1.25131998      -0.37296497 
O       1.46659821       7.17268011       0.98537558       3.39172639       0.65739569       0.64105638 
O       2.26322639       7.44136450       8.61138728      -0.54225098      -2.71782302       1.50308739 
O      10.84795259       2.68284294       1.87554136       3.31580126      -1.88552802       1.87342008 
O       3.54281006       5.14508310       6.77768421      -3.02854623       0.71914122      -0.43819794 
O       3.65892229       2.15960618       7.10375525      -2.53788979      -0.45409094       0.83527177 
O       5.15253833       3.14688103       9.20463407      -0.60678510       4.10869343       3.62463756 
O       0.30777212       5.14438980       1.35837621      -1.39688117       0.67670318       1.18398356 
O       1.79655261       7.07665416       6.27088020      -1.90910598      -1.81550166      -0.85417094 
O       0.26578138       9.09613179       6.57595886      -1.83655236      -0.50445464      -1.58916020 
O       3.82458271       1.64118426       4.51561607      -0.94795555       3.37143162      -1.23010103 
O       5.11156683      10.68858760       3.74829899       3.26762040      -0.78546877      -1.63114958 
O       5.41154375       0.23755774       1.12720290       1.27252490      -1.76599630      -0.94172875 
O       3.32149710       1.16066374       1.86865505      -0.33016353       1.82621249       0.88480157 
O       2.89732077       1.74945233      10.02005173      -0.48961051       3.77409390      -1.40989596 
O       4.99311976       0.28289258       9.07881722      -0.18932977      -1.74352887       0.48869546 
O      10.61738269       8.68218902       8.89306024       2.89739210      -0.17036956       5.20669537 
O       3.56229070       5.34253300       3.97546581       1.80637294       1.95664286       0.78362003 
O       5.41562924       3.58161774       4.11481221      -0.36528525       0.86348255      -2.09656141 
O       5.37984870       3.34895185       1.42505150      -3.34475956       1.61238533      -0.18670754 
O       8.99311888       6.98398590       6.11798034       2.88953062       4.11175331      -1.08652670 
O       4.02096857       5.44811127       9.59409105      -1.55127933      -3.36376968      -0.27816086 
O       5.49915461       3.27139225       6.39832691       2.04631958       2.34754889       1.60768766 
O       0.02820140       5.85008197       9.25802417      -0.47782503       1.57966839      -1.14835678 
O       9.16249294      10.26592725       6.00046080      -4.48525576       0.85102503      -0.62020058 
O       1.48337392       3.40584253       6.96895317      -1.05602331       3.55920708      -1.67324733 
O       7.06963838       1.83171293       1.62812482       2.55429702      -0.56857435      -0.03400887 
O       9.31934999       0.14346367       0.62213089      -0.81645118       1.92481605       0.87905722 
O       7.35983893       9.15430815       3.79803836      -2.27205604       0.55962027       2.78221207 
O       6.87444519       1.49484047       4.24278569      -0.68537065      -3.66398472      -1.13502501 
O       3.69984416       8.50194014       6.77289414       1.60161311       0.43499341      -1.10065256 
O       8.45245101       7.42382099       8.52663971      -0.22318886      -1.61246512       2.16446012 
O       7.17633404       1.68491700       9.61698496       2.21048978       0.10739760      -1.37450103 
O       7.28455467       9.49753553       9.31296112      -2.09636456      -0.68032242       0.69071469 
O       5.26218312       6.96822099       8.58288763       0.87180628       5.08096961       0.78528479 
O       9.12969309       7.30284516       3.35584857       0.89223251      -1.81920150       1.73912187 
O       5.43215308       6.30031737       5.65579219      -0.19505923       0.13254976       1.65137575 
O       7.89190864       9.00185519       1.16068839      -3.57082144      -0.49350507      -3.92607159 
O       9.01912415       6.57875294       0.92351948       1.09495908       0.15152911      -1.67302862 
O       7.14039157       5.22124504       8.61804847      -1.28783915      -1.12840138       0.57962163 
O       3.74902904       9.10283894       9.57618681       1.22762734       1.59768990      -0.65116652 
O       9.18161171      10.80007815       8.59483622       0.95180035       3.38390043       1.38769564 
O       7.81659677       5.18791448       6.03856151      -2.14813532      -2.53242747      -1.10242475 
O       5.02507775      10.68932329       6.61584557       1.01712214       0.80567358      -1.85145392 
O      10.84181230       5.20508812       6.66264877       1.08170806       1.97602216       0.67810250 
O      10.74221294       9.25539522       3.97264094       1.88987853      -1.85128266       0.25582798 
O       1.61618179       7.18320203       3.71203497      -0.16635490      -0.54650510      -0.27547989 
O       3.65629833       8.75303030       3.92053216      -0.67432492      -2.03648952       2.45393671 
O       3.89026897       5.90264240       1.45789554      -1.40516668       0.36774768       0.02588121 
O       5.66717462       7.85193304       0.65778024      -2.26476445      -0.01410409      -0.19812946 
O       9.18463863       0.10913239       3.12653183       0.65217873      -1.11877270       3.12404973 
O       9.39141472       3.95812397       8.79126811      -0.37715202      -2.82456599      -0.05066322 
O       7.04114609       5.34759457       0.73473345      -2.00318826       0.01968840      -1.04835625 
O       8.92573005       3.43763366       0.91411951      -1.09443149       1.99279722      -0.82754242 
O       8.73427845       3.16199012       3.89739867       1.86433852       0.73431457      -1.78029049 
O       7.35267272       5.39559072       3.25203662      -0.07649823      -0.46992865       1.04135253 
O       3.50438046       9.25019309       1.63402795      -0.15567377      -1.34749758      -1.00172092 
O       9.27388303       2.81020173       6.39116998      -0.41212192       0.19919877       0.04678947 
O       7.15137682       1.33228072       6.75953466       1.31322787      -0.05952855       0.51725817 
O       1.62453695       4.11080076       9.77433306       2.08776404      -0.76687344      -0.51042241 
O       6.77401592       8.83361748       6.84870432       2.10171553       0.24888193      -3.02514344 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009452204927592963 0.006761346482880847 0.0008625457156589663 0.006761346482880847 0.01175139292108687 -0.0037875295215392523 0.0008625457156589663 -0.0037875295215392523 0.008329204699876745" pbc="T T T" energy=-1067.06569139 free_energy=-1067.0656922 config_type=crystal 
Hf       1.76395873       1.75777242       2.82418217      -3.54641697      -0.79802076      -3.82633104 
Hf       3.74021176       6.96917569      10.45377009      -2.05861028       0.28917232      -1.47121457 
Hf       5.22001359       5.36100055       2.64722781       0.62857462       0.91684449       0.61215019 
Hf       9.35859318       5.48594266       7.88818618      -2.17189974      -1.92568313       0.83713143 
Hf      10.93827352       7.11490715       5.20435284      -0.68301774       1.30803144      -0.81050885 
Hf      10.68283339       0.14419411       0.00237186      -0.88851169      -1.23304098      -1.26763233 
Hf       6.90371688       3.56761444       5.31091548       2.64759329       1.74783446      -1.13553269 
Hf       7.24302683       7.35115510       5.10485934      -0.14805410      -2.49234542       0.62390513 
Hf       1.57708114       5.39619297       2.26553117       4.53725121      -0.26507702       0.36765963 
Hf      10.93036592       3.54979977       5.35205778      -0.21669327      -1.50444125       1.14889982 
Hf      10.82447114       3.60367195      10.62280967      -0.58808226       0.66571022      -0.02933223 
Hf       2.03199267       5.21752143       7.86199654       1.06525229      -0.96580594      -2.09645494 
Hf       9.28709202       9.14387366       7.75826398       2.23175399      -0.40497987       1.25199915 
Hf       1.82512498       1.45847313       7.79249659       0.67112847       2.09728286      -1.64217886 
Hf       7.31260948       7.37933952       0.09052751      -0.98449127      -1.80685662      -0.35985773 
Hf       8.90446994       8.93770233       2.65082413       2.23300076      -0.26928549      -1.49757219 
Hf       5.20293154       9.12100816       2.35301124       1.18283375      -1.11427552       1.40291518 
Hf       5.61197008       9.00302518       7.82087368      -3.56268614      -0.24080352       1.40662561 
Hf      10.75694405      10.88355005       5.06025793       2.12313008       0.26699158      -0.06333834 
Hf       3.55785834       3.48365807       4.90840449       2.22285669       0.14236417       2.55181016 
Hf      10.85275307       7.37504236      10.46836743      -0.78155822      -0.67259315       0.33171076 
Hf       1.81208033       8.85205786       7.74846362       1.79002117       1.57941006       3.47158903 
Hf       6.98794584       3.56052700       0.00857952       0.96707764       4.11117963       0.84682048 
Hf       9.05032136       5.31692927       2.42767625      -2.92364840      -0.73608190       1.31444685 
Hf       3.47599916       7.22437796       5.28299734       2.01093995      -1.34270452       0.70769895 
Hf       3.30359807       0.03162471      10.55944584      -0.37633562      -4.61999278       0.08091897 
Hf       7.33532006      10.72704589       5.36102473      -2.99866292       3.61775481      -0.07100254 
Hf       5.42087377       1.53668900       2.71855340      -0.84714945      -0.07310687       0.28512842 
Hf       5.45336960       1.74277771       7.81070418       0.25703069       0.01805071       0.69382884 
Hf       1.41894344       8.97026181       2.71651380       1.11965344       0.79455833       0.09740987 
Hf       3.68787221      10.87695487       5.13211805       0.24484581       0.00279056       1.66615178 
Hf       3.61434770       3.12109017      10.38840982      -3.05004632       4.21968683      -0.75343553 
Hf       7.21952117       0.18821269      10.32082575      -0.44525505      -1.86106349       2.29046869 
Hf       8.83746216       1.93192286       2.61506562       2.45444985      -0.85160541       1.41306143 
Hf       5.62602827       5.42413844       8.13934499      -0.61117351       1.73963512      -3.97850596 
Hf       8.91261507       1.86777757       7.84173597       1.63090695       2.91179773      -1.18609265 
O      10.68746154       9.24971114       1.50083797       0.87564426       0.03062081      -0.53694700 
O       4.79878870       7.43630831       3.55260358       0.32425655       0.68221761       0.36965109 
O      10.68373036       5.34014887       4.39120979      -0.28493493      -1.41940767      -0.90115317 
O      10.91515012       1.81558745       4.27850285       0.10581974       1.31389505       0.55877591 
O       1.26570658      10.86010224       3.56213567       0.10013744       0.09971119      -1.93600588 
O       1.45924848       0.11968378       0.74034928       1.91978591       0.40906055       1.44721807 
O       1.77817096       3.62309815       0.59892300      -0.60633890       0.61665638       0.32716803 
O       0.11346505       2.19152715       9.32442566      -0.89538219      -2.58423004       1.14183565 
O       1.86717783      10.80020141       8.87746675      -0.95310119       0.89313301      -0.31820472 
O       2.00775296      10.92768268       6.06656584      -1.68281840       0.82362225       2.15708139 
O       0.13915993       1.73897313       6.78531158      -1.64235988      -0.66752606       0.31610931 
O       2.07622763       3.68460677       3.31978150      -1.32610659       0.51051615      -0.00220533 
O       1.64328661       7.10486115       0.85662342       1.30500385       0.35738695       0.95159157 
O       2.08555951       6.93646513       8.73370698      -1.04165646       3.39313122       2.14747183 
O      10.82757267       2.18526765       1.93942878       0.63626659       0.12737055      -2.29519553 
O       3.64478982       5.64812740       6.69441343      -1.22377589       1.88428872       0.06017650 
O       3.90337070       1.79673163       6.75810644      -2.41350091      -0.68753942      -1.69547010 
O       5.51175138       3.64532524       8.75123717      -0.23971309      -3.96852017       2.11718806 
O      10.78924727       5.49420633       1.51739381      -0.79935670      -1.23918267      -0.79127619 
O       1.50378002       7.39423037       6.46925762      -0.08719714      -2.23137376      -3.18910725 
O       0.04948814       9.41393095       6.67740193      -0.05438911      -0.54503158       1.20667037 
O       3.29266464       1.66141769       4.04631118       2.70656737      -1.96877668       0.78666059 
O       5.38284604      10.63887803       3.83663374      -0.34789638       0.97017202      -1.71565967 
O       5.44818872      10.90294710       1.24747801       1.01415567       1.03755918      -2.26878618 
O       3.42540063       1.64054903       1.39412557       0.11159726      -0.13938186       0.35068882 
O       3.78091220       1.50347369       9.27237301       0.40706623      -0.23386589       0.68871250 
O       5.77894456      10.92816760       8.93889302      -0.41947590       0.10537851      -1.31174547 
O       0.00949995       9.05955507       9.43959651      -0.29020438       0.72939542      -0.68086152 
O       3.90827154       5.20735338       4.23999717      -0.60235337       4.10977742      -1.67149690 
O       5.43674617       3.41267337       3.63719756      -0.29668986      -0.52784864      -1.21212653 
O       5.10170555       3.47424325       0.92307965       3.95606706      -0.13866777      -0.04777208 
O       9.21843296       7.50662107       6.33358620      -0.22264988      -1.77836503      -0.66375613 
O       3.70747655       5.22742532       9.23043937       0.88648376       0.33995025       2.65226282 
O       5.25304034       3.96157730       6.16480926      -0.85545914      -2.12111518       0.60170928 
O      10.79343389       5.52308810       9.51087087       1.13978249      -2.14288546       0.57199314 
O       9.06276825      10.69907917       6.29098676      -0.43835970       1.07483237      -0.10776990 
O       2.04171940       3.64050120       5.99467596      -3.33297952      -0.08320273       0.46117734 
O       7.04771476       1.95820773       1.81914570      -0.18654498       0.43265264      -3.76802820 
O       8.95695783       0.40943350       1.00795923      -0.79169474      -0.37266795      -1.89266370 
O       7.54341997       9.31163215       4.06106114      -1.18719821      -3.11959401       2.15877789 
O       7.18561870       1.77542484       4.24023356       0.00997059      -3.74885000      -0.31817431 
O       3.67175571       8.70998746       6.93991548      -0.09375679       0.35690851      -1.14551030 
O       9.25835432       7.14975238       9.03567283      -1.53391860       2.53163761      -1.19404562 
O       7.21740754       2.05948565       9.42280163       0.96783917      -3.40633213      -0.32471925 
O       7.17388483       9.15822985       9.81671173       0.92721902       0.17807809      -1.01354716 
O       5.31764766       7.27819022       9.08981323       0.57742285       0.93752097      -0.87024666 
O       8.89700605       7.01511814       3.52011179      -0.48232040       1.20916910       1.27058203 
O       5.59588590       7.34659784       6.26168537       0.43054873       0.95343325      -0.42033951 
O       7.13006685       8.82922950       1.66859771       0.22885159      -0.19413949      -0.18283785 
O       9.12339591       7.37747470       1.04835039      -0.18515805      -0.38540477      -0.81952307 
O       7.20164207       5.49625072       9.42262540      -0.43444787       0.36407199       1.82087145 
O       3.36000536       9.13356833       9.52691268       1.11137025      -0.83338523       0.91410706 
O       9.31263331       0.07629243       8.89888472      -1.45860187      -0.19530373       0.37048483 
O       7.25939904       5.11252318       6.76981822       2.13652471       1.67392334       0.73102112 
O       5.40258952      10.68798512       6.26947271       0.93294319      -1.44896326       1.16030486 
O       0.10180392       4.77670863       6.95962293      -0.99515260       2.61566876       1.24058836 
O      10.75850156       8.86690346       4.07678633       0.29194389      -1.09132659       0.59192238 
O       1.56114421       6.90419193       3.74050921       1.15749885       1.19661289      -0.82352661 
O       2.86419991       9.35372083       4.24205845       1.19363851      -3.35688982      -0.14860252 
O       3.63643423       5.24491691       1.39232938      -2.41699944       2.08389702       0.42443661 
O       5.37524817       7.05859900       1.00242960       0.61003749       0.89404442       0.28976046 
O       9.43246927      10.84006646       3.38263142      -1.21251461       1.21040938       1.46050199 
O       8.86419393       3.75467664       8.78887436       1.07555943      -1.18012939       0.50032351 
O       7.26408503       5.36906646       1.42356429      -0.39114509      -0.17795031       0.46517919 
O       8.95505258       3.45125745       1.02648738      -0.30495052       0.55864707      -1.42349316 
O       8.51127411       3.69351400       3.57894427       1.29908749       1.45662830      -0.05937854 
O       6.65376352       5.66239485       4.22439125       0.96012740       0.36710362       0.11453845 
O       3.52044525       9.25468713       1.52567359      -3.01620150       0.13294883      -0.52716900 
O       9.00537371       3.19396291       6.29698322       0.61535155       0.06208654      -1.31709473 
O       7.08107195       1.54167321       6.60982721       0.93527515       1.14458369       2.50870061 
O       2.21897708       3.40435744       8.54781321       0.28633652      -1.76764004       1.12266577 
O       7.39481574       9.00161493       7.10370636       0.33713185       0.67199202      -1.62049397 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012373058489707305 0.007740977492111462 0.009024199399926732 0.007740977492111462 2.3039469881646648e-06 0.0053793525932843275 0.009024199399926732 0.0053793525932843275 0.0006047690481940654" pbc="T T T" energy=-1065.10977941 free_energy=-1065.10978392 config_type=crystal 
Hf       1.68033498       1.69936325       2.73163504      -2.00734763      -1.43074408      -4.77042834 
Hf       3.65602684       7.00854750      10.37265828      -0.54421513       1.04754836       0.23786224 
Hf       5.27863093       5.32629030       2.71783881      -0.73647563       2.54116776      -2.03361196 
Hf       9.35202056       5.41934081       7.85714600      -4.15270648      -1.51199570       2.28971017 
Hf      10.82603040       7.13092000       5.15565374       2.18828051      -2.76230492      -0.08309819 
Hf      10.70220043       0.05060576       0.09967908       0.69027983       1.19490062      -1.13645799 
Hf       6.86419278       3.69554908       5.32314627       5.59046245      -0.40142005      -0.86932441 
Hf       7.24409953       7.39287149       5.15887709      -0.30075045      -3.20815603       2.03553175 
Hf       1.56706823       5.40090953       2.35440226       3.30508954       0.81022690       1.74757457 
Hf      10.92403543       3.49402211       5.26588837      -1.30173145      -0.63584436       1.72905738 
Hf      10.87128372       3.61538227       0.00052199      -2.93265581      -1.68148108      -1.44357632 
Hf       2.05839619       5.20953549       7.87033977      -0.85452059       0.96512772      -1.35007685 
Hf       9.32774525       9.20463388       7.79936686      -1.51587451      -0.21836483       2.44214909 
Hf       1.87772550       1.51962349       7.75349124      -0.40437150       1.26419564       0.50470704 
Hf       7.29540637       7.38354618       0.10876783      -1.35582640      -1.57790338      -2.34785377 
Hf       8.83811054       8.96893186       2.65355876       4.04693976       0.37309725       0.19725099 
Hf       5.15610428       9.06935839       2.29210197      -0.36900679       0.64914206      -1.07202647 
Hf       5.60143961       9.00007451       7.75503734      -3.09566268       2.32067710       5.31828336 
Hf      10.81591308      10.88318226       5.11395596       1.46404016       1.02939065       0.49211503 
Hf       3.52939849       3.45027480       4.94105912      -1.08924634       1.39566199       2.64127523 
Hf      10.87943936       7.40166576      10.45621944       1.37500592       0.35765307      -0.11339748 
Hf       1.81278820       8.88643253       7.74655731       2.63691460       2.21243093       1.67977437 
Hf       7.02185674       3.56144928      10.58162453       4.04729541       3.26839780      -2.07919913 
Hf       8.96399958       5.33681036       2.55846312      -1.86789064       0.39811999      -0.99162299 
Hf       3.60010369       7.12806004       5.28034998      -1.41765871       1.47911627       0.08027179 
Hf       3.31431271      10.90896633      10.61334125       1.83121840      -0.84751615      -4.57003676 
Hf       7.35123354      10.73041059       5.40295518      -3.22249529       3.57650926      -0.79028434 
Hf       5.43396663       1.58889927       2.65899326      -1.07246784      -0.66336824      -1.53278626 
Hf       5.52703489       1.73238463       7.76810686      -4.37148699      -1.91915751       2.71466192 
Hf       1.50931949       9.00673697       2.73536560       0.79955886      -2.86379654      -1.92012659 
Hf       3.66873624      10.93897722       5.20549248      -0.12540413      -6.14463987       5.13588088 
Hf       3.61695566       3.18969697      10.44288419      -1.48196517       2.10878848      -2.54814878 
Hf       7.21746407       0.19277575      10.39180462      -2.35953228      -1.74747075      -1.17937757 
Hf       8.82116358       1.86872920       2.52328634       2.83988427      -0.25145918       1.24821566 
Hf       5.60196440       5.44351972       8.08805773       0.92089248      -1.18318998      -1.28643919 
Hf       8.97488415       1.83562017       7.81612348       2.09912940       3.06382476       0.17859086 
O      10.66792589       9.34865028       1.46415091      -0.02836021      -0.21002042      -0.02720230 
O       4.95425675       7.48213254       3.49888483       0.52206727      -0.08559622       1.22313766 
O      10.82251144       5.25126514       4.28763688      -0.56165324       1.00642351      -0.13989469 
O      10.94134427       1.74230737       4.13792412       0.65720529       2.15356202       0.42920999 
O       1.16934023      10.80208606       3.32761986       0.47926139       1.04862560       1.53024592 
O       1.64425325       0.24836310       0.76872032      -2.30966833       0.20496978       1.54071402 
O       1.63396491       3.27506108       0.69341088       3.23303464       1.59534200       0.21173163 
O       0.09789219       2.05406298       9.36193370      -0.38961030      -1.05964864       0.48542817 
O       1.92471623      10.83391444       8.73155514       0.63662226      -1.16627637       2.03014029 
O       1.88295173      10.92086356       6.39397019       0.65144106      -0.34500029      -4.17011479 
O       0.07506514       1.70255988       6.82386976      -1.00627905      -0.95757841      -0.99660563 
O       1.85832013       3.50148381       3.24584831       0.88979861       2.20053664       2.06644996 
O       1.62479353       7.11132859       0.97353094      -1.31596208       1.13343263      -0.95741394 
O       1.95785528       7.21922163       8.80825889      -0.43968012      -1.71502647       0.97334673 
O      10.76426901       1.97368987       1.42209186      -1.04434393      -1.57441248       2.11161956 
O       3.62880918       5.65823168       6.64745047       0.03031311       0.41123393       2.66423353 
O       3.71406209       1.87990805       6.55233803       1.13916642      -0.87901393       0.32902606 
O       5.29175720       3.43566838       8.90198456       1.14362944       2.38493393      -0.07214211 
O      10.72260170       5.22258792       1.79699507      -0.14253194      -0.40981935      -2.56026737 
O       1.63521192       7.24125426       6.23859238      -1.08926253       0.19415534      -0.54003777 
O       0.05478329       9.38949732       6.93960905      -0.91688198      -0.78531552      -2.59749094 
O       3.34150857       1.49272619       4.26033077      -1.28018531       4.20450215      -5.31645590 
O       5.16149825      10.79414756       3.55670904      -0.31069788      -1.53194142       1.12307052 
O       5.68940676      10.89744905       1.14120427      -1.22111156      -0.20705354      -1.19681061 
O       3.54882183       1.80750521       1.21140977       1.40519492      -2.11292012       3.87041506 
O       3.68115969       1.56279419       9.24411443       0.60261668      -0.50824280       1.29392983 
O       5.67348495      10.79679628       8.70306676       0.27120566       3.69908587       0.75562854 
O       0.27428467       9.29193293       9.50696311      -2.26374871      -2.41886184       0.54402527 
O       3.65589614       5.37409319       4.26751076       0.70383497      -0.81174235      -1.91439719 
O       5.31990141       3.46478657       3.50892233      -0.35924731      -1.34620330       0.86162733 
O       5.42380034       3.54239756       0.89672664      -2.67984990       0.05246616       1.29724689 
O       9.03740314       7.32408819       6.09482697       1.04497291      -0.01054656       1.17113706 
O       3.46250181       5.16447061       9.43672626       1.38564754       2.26845348       0.50486160 
O       5.20164991       3.97898748       6.08837113      -1.56458966      -1.24313143       1.44650365 
O       0.06178538       5.43497217       9.67859787      -0.33109340       1.28524469      -0.85376201 
O       9.00553027      10.78255151       6.26404852       3.26681099       0.90687781       1.17764707 
O       1.78534648       3.74399804       5.97840063       2.00566244      -0.40703214      -0.75135781 
O       7.08393190       1.69406043       1.73585366       0.35613095       2.22749875      -3.00615340 
O       8.80925255       0.30249319       0.97093800       0.92127814      -0.87327120      -0.05631808 
O       7.55409725       9.12821501       4.33743906      -0.58082283       0.30949556      -1.23817343 
O       7.40103317       1.55357285       4.16532047      -1.21429857      -0.29860341      -0.36925680 
O       3.61642682       8.96724891       6.87710787       0.26091094      -0.24054766      -0.83334907 
O       8.95024301       7.23247456       8.75401177       2.53880266       2.77665853       0.56542057 
O       7.17249670       1.93979135       9.18029844       0.81826151      -1.31808398       1.86450873 
O       6.89469056       9.20942264       9.84297546       2.09416754      -1.30945556       0.43701992 
O       5.46155209       7.05043503       9.14366017      -2.03813854       1.92669146      -0.71038715 
O       8.72424100       7.09535934       3.64615781       0.16253756      -0.10036972      -0.96072635 
O       5.53670356       7.52905227       6.58988136       1.11182724      -4.70801875      -5.22076761 
O       7.16108165       8.74652934       1.80362417      -1.57379210       0.26587996      -0.41755677 
O       9.15939809       7.40415946       0.99019371       0.17158660      -0.43957022      -0.08043128 
O       7.28949418       5.67631850       9.38311316      -0.83946287      -2.81956954       1.16494348 
O       3.62965958       9.02974993       9.64282172       0.33879409      -0.92164673      -1.21887725 
O       9.27547998       0.17059610       8.94879829      -0.83429866      -2.93457672       0.53701179 
O       7.48594896       5.15936665       6.83716090      -1.12923283      -0.01482184      -0.23284375 
O       5.51897708      10.59086851       6.32862022      -0.96584920       0.59286565      -2.44047951 
O      10.89079569       4.88657803       6.89692894       1.51897875       1.83879650       0.27503392 
O      10.85162372       8.69225331       4.04655245      -1.12084585       2.16875054       0.08827689 
O       1.71397318       6.98463603       3.57848860      -0.46941425       0.35743105       0.03532718 
O       2.78046879       9.10435054       4.24130645       2.61416776       1.13351448       1.18295046 
O       3.39501000       5.47013140       1.45725535       1.71801455      -0.48569541       0.46088156 
O       5.48601179       6.96799365       0.92962584      -1.69073231       1.21684633       1.23551574 
O       9.49177289       0.01036876       3.55355977      -2.32115502      -1.57742737      -0.53993633 
O       8.99680163       3.66711683       8.85299444       0.31865805      -0.09023727       0.00680240 
O       7.23375718       5.26046314       1.40666918      -0.74049783       1.26404036       1.77861095 
O       8.89979359       3.66920264       0.92965496       0.01231824      -1.77415138       0.55634124 
O       8.45340440       3.94911189       3.75167668       0.44369313      -2.47725281      -0.01616545 
O       6.53177131       5.54597595       4.41581050       0.06918035       1.58033906      -0.95363925 
O       3.43617794       9.36741780       1.23029017       0.34153582      -1.97045420       5.03369793 
O       9.14150541       3.09838101       6.31860229      -0.80218146       1.08603723      -2.28932418 
O       6.95502481       1.75435536       6.55643009       2.46340777       0.44710519      -0.54904326 
O       2.33355514       3.41978952       8.47492739      -0.80436935      -0.58959250       0.76602384 
O       7.43822977       9.16197176       7.05128115       0.89824307      -0.30123931      -1.02782295 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.019426422808778016 0.003718420162082545 0.003076612045143132 0.003718420162082545 -0.04717371098715761 -0.013166602468251421 0.003076612045143132 -0.013166602468251421 -0.034613628123164784" pbc="T T T" energy=-1056.08740463 free_energy=-1056.08741068 config_type=crystal 
Hf       1.93065701       1.44241700       2.52426229      -1.39911084       3.58981732      -2.11244127 
Hf       3.78842605       7.51814798      10.39680960      -2.38279462      -4.59235041       0.38877542 
Hf       5.52074078       5.27205251       2.23723305       0.81863645      -0.57012504       2.58444730 
Hf       9.13229875       5.40765755       7.98686221      -3.44337517       0.02314352       0.02666629 
Hf      10.75016284       7.11326857       5.29723457       0.22610521       0.48962926       0.23687646 
Hf       0.17108342       0.12201894      10.44901564      -2.52801903       0.01999971       1.63767393 
Hf       7.24807229       3.79318139       5.34134513      -0.85733385       0.90620767       1.18468729 
Hf       7.02208517       7.37812264       5.43302855      -0.83306293      -4.26472047       0.79488410 
Hf       1.64031928       5.22556664       2.55274280       2.09178511       1.45281644       1.30605164 
Hf      10.90231012       3.31954770       5.05197943       1.24134069       3.00557711       3.13555190 
Hf      10.72578628       3.52585915       0.09753787       1.16021438       1.23961713      -2.63820351 
Hf       1.57704422       5.38467504       7.59606119       3.04867946      -0.57355933       2.54917612 
Hf       8.81739877       9.06391951       7.80632418       0.86499176       0.97806097       0.08799480 
Hf       1.72212237       1.94685984       8.09435807      -2.04317621       0.32999629      -2.14841940 
Hf       7.25625872       7.04797968      10.44048756      -0.80020565       1.86216317       1.74304765 
Hf       9.00929158       8.81255151       2.30140766       1.57803919       2.58412982       0.14655137 
Hf       5.19017032       8.84710060       2.47338903      -0.19006178       0.26762616       0.16876442 
Hf       5.29802338       9.43068026       8.08401190       1.09899761      -2.24231305      -1.65454901 
Hf       0.04609551      10.79795115       5.43753195      -6.00929415      -0.79234837      -1.42182612 
Hf       3.45350463       3.44083446       5.19500230       0.66868250       9.96385487       5.89043789 
Hf      10.94670898       7.31165905      10.32611633       3.14475224       2.22268022       0.49851599 
Hf       1.66843030       8.99942164       7.50086468      -0.57307086       0.56617608       2.15825774 
Hf       7.10001608       3.19229464      10.34061068      -0.48694306       0.85066139      -0.63843982 
Hf       9.22154863       5.38486063       2.73450784      -1.97845363       4.88443954       1.19221206 
Hf       3.48879249       7.50845894       5.13948767      -2.79181760      -2.92462808       2.77522929 
Hf       3.67123377      10.81765541      10.61613870      -0.48889330       3.57851999      -0.42364568 
Hf       7.22196732      10.67449982       4.70811470       2.51543496       1.96487339       3.01411370 
Hf       5.53021619       1.70316410       2.81751024      -2.34986821       2.86725700      -1.29253182 
Hf       5.68214052       1.72624927       7.51256944       0.02503883       0.91045713      -0.27979357 
Hf       1.45294112       9.05651073       2.92800889       0.41169474       0.09287449      -1.61423643 
Hf       3.53528077      10.92600346       5.32726564       2.86760060      -0.28556391      -1.01495306 
Hf       3.50569551       3.57311424       0.17269128      -0.73007688       1.15568275      -1.28828635 
Hf       7.61515307      10.79605872      10.41996381      -1.59698496       0.43674374       2.86099211 
Hf       8.91397547       2.00734462       2.58728269       1.14767983      -7.85319117      -4.67568367 
Hf       5.38387470       5.47473128       7.98781967      -0.48733875      -0.82411619      -0.30829543 
Hf       9.17208097       1.66744250       7.90460969      -2.08317312      -0.19271324       1.10446109 
O      10.93060816       9.40104056       1.71477157      -1.78376531      -0.86207563       0.48825140 
O       4.64886219       7.35690426       3.71938779       5.50194102       0.15468008      -6.25692961 
O      10.83705794       5.18953214       4.38482814      -0.31873761       1.53084878      -1.64288011 
O      10.32340593       1.65176863       4.47547459      -1.00341674      -1.90631437      -1.26001668 
O       1.25712705       0.07418603       3.72861738       1.47720650       0.13128977       1.23563192 
O       1.67007841       0.01218417       1.15401200       3.74001638       0.59842290      -0.64022847 
O       1.49454105       3.41366566       1.05710018       4.81877956       0.75982703       0.50968014 
O      10.72221682       1.96326009       9.58615267      -0.41081967      -2.90822933      -1.16822152 
O       1.35918843       0.02598599       8.89535472       2.15017283      -0.84458466      -1.31519883 
O       1.83867591      10.67095731       6.25268346      -0.58035085       0.41959943       0.18329530 
O      10.91738152       1.42882685       7.18347137       0.54612085      -0.58298626      -3.27925071 
O       1.63793657       3.48440954       3.62672258      -1.05450700      -1.10041315       0.48564985 
O       1.69363238       7.03203169       0.89574718      -0.25033752      -0.21701890      -1.12732875 
O       1.59709249       7.35026810       8.41329652      -0.03512824      -2.31937424       4.52519080 
O      10.89065513       1.63645401       1.68762681      -0.42167637       0.90232187       0.98430878 
O       3.59043042       5.03548376       7.43887082      -3.12471268      -0.06236120      -1.27624454 
O       3.76339476       1.41033980       6.62684626      -1.09003276       3.28908441       1.63635751 
O       5.53952539       3.14657459       8.83947881      -0.29696145       1.28938013       1.18643250 
O      10.58906702       4.71591905       1.72118341       2.58091299       1.24358561       0.44913819 
O       1.77003164       7.23467880       6.16659983      -1.62802018      -0.32685423      -0.49240609 
O      10.62868621       8.86352495       6.92621311       2.97170494       0.69108794      -0.30597981 
O       3.48093177       2.12069814       4.09260291       0.29825590      -9.19209703      -4.41525914 
O       4.99554191      10.86129590       3.33183798       1.16030587      -3.03903213       1.19735540 
O       5.52121233       0.07835600       0.22952411       0.87931917      -1.04671404       2.92181091 
O       3.98297579       1.83291930       1.63064198      -4.91529494      -0.29888527      -2.66795210 
O       2.88690008       1.93205806       9.48042994       4.86017784      -0.54605524       5.41874376 
O       4.97645273       0.24549942       8.72975384      -0.59501146       0.85708877      -1.87615662 
O      10.87241350       9.28718460       9.79670636      -0.18555743      -4.05224380      -0.93794718 
O       3.21666582       5.43385981       4.43195255      -0.69035235      -2.18229812       0.14591272 
O       5.60445349       3.56062988       3.57541926      -0.79648275       0.59498047       0.71887698 
O       5.32613154       3.80834986       0.93041398       2.34462977       0.65315781      -1.72323622 
O       8.85508368       7.31422231       6.43139022       1.18009145      -1.02215095      -2.56710437 
O       3.83426727       5.48559437       9.80004875      -0.11109183       0.06530742       0.44766273 
O       5.30871052       3.72959978       6.35206514       1.20513304      -1.87285494      -1.67353863 
O      10.42762729       5.51340661       9.78775642      -0.28906866      -1.34276161      -1.45590247 
O       8.98389184      10.69900993       6.49218448      -1.31092000       1.18891121       1.30025860 
O       1.45908973       3.56604028       6.56328101       0.87473257      -0.99962025      -2.93602455 
O       6.74986320       2.08810426       1.43855426       3.67221992      -0.69321946      -1.93276157 
O       8.80907769      10.94727059       1.38877812      -0.15200165      -0.35468697       0.38291092 
O       7.18079938       8.86444372       4.05087771      -2.22394388      -2.64746428      -2.10787805 
O       7.17229906       1.52954810       3.82759272       3.33630714      -1.01430155       2.02158520 
O       3.64021218       8.96386658       6.82297480       0.19846725       1.44639536      -0.31859447 
O       8.52971437       7.43988818       9.07106208       2.73412657      -1.67006013      -1.24923190 
O       7.35682855       1.44568025       9.27161707      -0.44021958       1.50782493      -1.16113911 
O       7.00771101       9.31484215       9.34939244      -0.45646875      -0.65242807      -1.80394775 
O       5.39278894       7.37846928       8.87199324      -0.36159270       0.50064722       1.26138844 
O       9.74721170       7.31464335       3.49380162      -2.85507233      -1.89304737      -0.20469373 
O       4.99856489       6.86598146       6.19315256       3.55905319      -0.19254012       0.91290172 
O       7.22189029       8.88767143       1.16896339      -0.33829693      -0.82839615       1.70589973 
O       9.55341299       7.28579226       0.96160563      -2.34983773       0.59560486       1.36181593 
O       6.85958315       5.30508178       9.69765396      -0.04334496      -1.19081265      -0.36292128 
O       3.64355048       9.23013934       9.45496041      -0.34392210      -0.37286753      -1.66763222 
O       9.20388865      10.85240872       9.15395192       0.28834042       0.02026422      -1.07497629 
O       7.25479412       5.42891548       6.93680225      -0.51430810      -0.59230004      -0.24614607 
O       5.64393410      10.81532211       6.09521047      -0.20776945      -0.51561511       0.44699701 
O      10.68953014       5.81892990       7.02909471       2.70049088       0.73914224      -0.86287695 
O       0.13173571       8.87982069       4.40534838       1.12759061       3.43434690       2.15899700 
O       1.54133106       7.24786084       3.62004183       0.87553072      -2.89413964      -1.11787016 
O       3.33494965       9.28554482       4.23766878      -1.25627779       0.32975185      -1.53044060 
O       3.68201447       5.21094180       1.65192123      -4.40330865      -0.56812082       1.70299368 
O       5.20617320       7.17329879       1.07870160       1.63900681       0.55054136       0.48396544 
O       9.08492950      10.29785621       4.24991467       0.23619290       0.33434160      -2.57892411 
O       8.79862983       3.63617435       8.79494235      -0.29881266      -1.41587245       0.19228142 
O       7.66562615       5.84452345       1.52841289      -2.24441883      -0.74554907       0.29828175 
O       8.94634377       2.91222323       0.66809483      -1.94256369       0.38612688       1.16725083 
O       8.76949377       3.61465490       3.36199203      -0.85531215       2.98327241       4.03118023 
O       6.91434847       5.37857835       4.22297164       1.37595623       3.62289537      -0.58235155 
O       3.49876770       9.26241385       1.35048747       1.31193708      -1.44079875       0.96205404 
O       9.37599514       4.00354152       6.21412729      -1.26034142      -1.28283164      -0.72726781 
O       7.58196756       2.07616912       6.46135539      -1.24799634      -0.86839311       1.57935018 
O       1.28387042       3.65184581       9.03309158       0.15896671       3.70113666      -0.65950979 
O       7.12867391       8.57267000       6.91878652      -3.90914675       2.95089874       0.60714687 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.000994843233453329 -0.00022486781127795124 0.0008657245287397967 -0.00022486781127795124 0.0029938238067691567 -0.003108548080993194 0.0008657245287397967 -0.003108548080993194 0.009454175515578714" pbc="T T T" energy=-1063.30690251 free_energy=-1063.30691039 config_type=crystal 
Hf       1.96928271       1.50533545       2.52583506      -1.07229831       1.90342379      -1.15145287 
Hf       3.73418957       7.36828678      10.33981010      -0.83500027       0.15598022       1.70033704 
Hf       5.53467594       5.12409480       2.28838193       2.52854538       4.05758482       5.58646754 
Hf       9.13965581       5.41386862       7.95553907      -0.53209467      -2.41880079       0.42587685 
Hf      10.66174255       7.16497289       5.06817420       2.00774317      -1.66138876       0.49483396 
Hf       0.05892192      10.90753745      10.51573504       0.09494292       0.75008967      -1.17592109 
Hf       7.15383699       3.96923653       5.41760194       2.67553228      -0.73544873      -2.19340524 
Hf       6.90098248       7.17405443       5.41657996       0.23757258       0.98182110      -1.24807875 
Hf       1.68365957       5.25458996       2.66914194      -0.21306074       0.29977005      -0.20107160 
Hf      10.71330707       3.34983250       4.92785142       0.26223361      -0.84497595       2.63445897 
Hf      10.74966149       3.51083979      10.60000345       1.43137514       1.01477313       0.23760601 
Hf       1.65550978       5.43837149       7.89521950       0.06225105      -1.21733277      -0.35762826 
Hf       9.03677602       8.90106985       7.82655829      -2.90840478       0.46413210       1.13830511 
Hf       1.92866554       2.15625200       8.11185935      -1.81810538      -3.69077201      -0.64375367 
Hf       7.25704065       7.09961717      10.59632900       2.25859508      -1.48615984      -3.21998221 
Hf       8.84137576       8.84286720       2.43232590       2.89618187       0.30885739      -0.01257070 
Hf       5.21080102       8.99667793       2.51673419       0.02201171      -2.17124355       0.19101352 
Hf       5.33617480       9.44877125       8.06547440      -1.37303992      -1.66089616      -2.37454984 
Hf      10.88186557      10.79282703       5.43280300       1.53519957       1.68910821      -3.01456927 
Hf       3.43455853       3.70487033       5.33894181      -0.29166265      -0.72320954      -0.67054933 
Hf       0.09529419       7.28523055      10.46226341      -2.29792462      -1.66201439       0.08593905 
Hf       1.62512473       8.94534853       7.48908243       2.46027521       3.51984919       1.65582476 
Hf       7.00697597       3.03972226      10.26082239       1.32700865       3.68834692      -0.55753319 
Hf       9.12558919       5.38874377       2.67211423      -2.87129457       0.77996732      -0.65310287 
Hf       3.48558271       7.28034559       5.17364598       1.11324909       1.83490229      -1.30779729 
Hf       3.74995931      10.93387896      10.46584857      -2.26599062       2.06491473      -0.88719116 
Hf       7.32825399      10.63093504       4.95988446      -0.79729163       0.01669887      -0.19110793 
Hf       5.63828025       1.52643385       2.70303909      -1.82832975       1.55034564       0.07764557 
Hf       5.74790303       1.83780710       7.46017315      -3.07150484       1.09894500       0.45147036 
Hf       1.49580942       9.06769527       2.79743726       3.69991754      -1.10057464       0.47015428 
Hf       3.58737589       0.02838995       5.19979460      -1.04392596      -2.09322915       1.28853906 
Hf       3.57546277       3.76134282       0.24257217      -1.96954160      -2.68741050      -0.74483285 
Hf       7.58846326      10.83055939      10.39103561       0.04556478      -1.10183440       2.38102977 
Hf       8.96881584       1.95407261       2.46379327       0.74303893      -1.36861833       0.26136045 
Hf       5.36967332       5.49017376       7.95031864       0.10315602      -1.04240525       1.08624611 
Hf       9.08407734       1.63564885       7.85826130       1.85356136      -2.48498823      -0.96566280 
O      10.87931983       9.50779560       1.83991179      -1.86707113      -1.08084761      -2.86977858 
O       5.03101908       7.02352370       3.30505492      -0.25312981       1.04011452       0.19193289 
O       0.02848155       5.28959109       4.25837333      -0.39428794      -0.37101902      -0.65871621 
O       9.97424511       1.58717151       4.29201167       0.84018705      -0.05772780      -0.39323652 
O       1.43069200       0.06874452       3.83123325      -0.22656532      -0.51343935      -0.98702705 
O       1.91417250       0.24491831       0.65507866       0.03110582      -0.94129421       2.08067404 
O       1.59709414       3.73067412       1.06595605       2.13038066      -0.43234124       0.31570795 
O       0.25304197       1.91020007       9.45895564      -2.29908498      -2.36464657       1.00207281 
O       1.65244944      10.84824730       8.73843295      -0.94685832      -0.96324764       0.55411790 
O       1.88983331      10.75986394       6.29258015      -0.42768178      -0.58234662      -1.23696252 
O      10.83245302       1.49003200       6.63257210      -1.31434171       0.45724334       1.01338561 
O       1.63621845       3.12917482       3.83201629      -0.55086105       1.82409278      -0.38561499 
O       1.78576358       6.79668377       0.78766906      -0.73228748      -0.13369726      -0.31453280 
O       1.65513946       7.25382550       9.01524049       0.16722857       0.09345705      -1.67690256 
O       0.03126185       1.72881889       1.77794504      -1.94467597       0.41865970      -0.78278758 
O       3.41437889       5.28042837       6.89808272      -1.72005640      -0.91479630       3.33611584 
O       3.49474335       2.19371835       6.67653843       0.99221455      -2.16981662       0.82834278 
O       5.35888231       3.32409883       8.98315037       0.98444919      -0.31729336      -0.62239904 
O      10.75861112       5.14483724       1.63465124       0.07373905       0.43748491       0.35791220 
O       1.72294166       7.55683844       6.00905052      -1.24566823      -1.16702306       2.44336325 
O      10.68268363       9.55680300       6.97792288       1.17110335      -0.74368358      -0.01645099 
O       3.42099862       1.54144346       3.98111353       2.32869912       0.31555423       1.11932362 
O       5.39129257      10.79276458       3.72771849      -0.27766906      -0.79412051       0.32731347 
O       5.44548204      10.66706881       1.13130761      -1.37637560       0.61639541      -1.67256646 
O       3.72556644       1.83472277       1.51663766       2.05188958       0.31739786      -0.27783485 
O       3.06266796       1.97766405       9.62665756       1.80745277       0.80761440       2.60932400 
O       4.52457426       0.52351592       8.57716137       2.45715000      -3.04165916       1.09881602 
O      10.38287641       9.15385096       9.55690092       3.13091713      -3.83211945       1.45143760 
O       3.22403330       5.51536336       4.60968740      -1.95272776      -3.29294522      -2.71464104 
O       5.35652656       3.55939065       3.71071846       0.63362928      -0.46626988      -0.68682660 
O       5.73629219       3.84081611       0.91894943      -1.85973095      -3.07744501      -1.99420774 
O       9.13371142       7.73700153       6.06745443      -2.80692049       0.37868572       1.04918923 
O       3.87233619       5.38065912       9.73613445      -0.76201614       0.38574133      -0.44267143 
O       5.42553522       3.64678294       6.25831290      -1.28019771      -0.15286661       1.02107746 
O      10.14801680       5.34772067       9.73902575       2.72255558       0.35952704       0.53545310 
O       8.11869170      10.68353414       6.84201910       1.72906111      -0.12803483      -0.94329441 
O       1.43799625       3.57575409       6.43034539      -0.61731072       1.85065700       0.42965794 
O       7.17054380       1.56325379       1.33877793      -0.78076488       0.85775095      -0.91203864 
O       9.00110854      10.84589110       1.10274089       0.84274729       0.58957061       0.10434577 
O       6.76745448       8.71247776       4.04919971       0.57418430       1.15943064       2.07277120 
O       7.31455373       1.66594953       4.06313508      -1.16450658      -2.12385095      -0.66575253 
O       3.72621755       9.06951035       6.64548177       0.95064491      -0.34536956       1.36186323 
O       8.85028682       7.12682432       8.81088447      -1.00990457       2.20906071      -0.18068853 
O       7.04314567       1.30321324       9.05426136       0.43104784       0.65025499       0.84927111 
O       7.19063085       9.11153078       9.52983162      -1.02154568       0.17679104      -0.84510191 
O       5.21099987       7.31636399       8.79365592      -0.42721875       1.11874368      -0.59753245 
O       9.10954588       7.19100895       3.61450412       1.56614438       0.36195588      -0.68812746 
O       5.12157097       6.49907400       6.10329829       2.32086915       1.03745460      -0.04171225 
O       7.16586427       9.00897900       1.68691807      -2.79386924      -0.17182721      -2.15833162 
O       8.97756278       7.28080564       0.81208366       4.29521730       1.49277242       1.71993847 
O       6.93573360       5.35234925       9.57855145       0.32705057      -1.01066301      -0.48282000 
O       3.54726422       9.16903269       9.36560751       1.61881847      -0.01436120       0.27442362 
O       9.27885782      10.89039503       9.18710589      -1.80794359       3.19604181      -1.21530819 
O       7.31056213       5.31039686       7.07151250      -1.81141366       1.04961472      -1.40222978 
O       5.62200523       0.02770192       6.36280404      -0.73103374       0.30362706      -0.82371710 
O      10.78263489       6.28101827       7.19699496       1.95900529      -1.55182995      -0.71182024 
O       0.48666881       8.81502811       4.49988759      -2.59701464       2.94191737       0.21344475 
O       1.71130036       7.15607957       3.36060611      -0.89097412      -1.77600066      -0.73756903 
O       3.06959084       8.95703255       4.10002355       3.87697561       3.43525841       0.71498836 
O       3.64809722       4.90133806       2.09860857      -2.41080604      -0.45030820      -2.28486481 
O       5.56343160       7.06026201       0.69653846      -5.49294317       0.71580271       2.14992985 
O       8.99448126      10.24079999       3.82392082      -0.18457189       0.70920977       2.14088984 
O       9.04044836       3.26971576       8.81086757      -0.83913113       2.01442469       1.03037402 
O       7.41656406       5.53966607       1.53353129       0.96394359       0.33556649       0.91196124 
O       8.90427985       3.30145091       0.73326941      -0.87412984      -0.95827958       1.43407615 
O       8.64008676       3.66257984       3.66087164       1.87433056      -0.09315860      -2.03902928 
O       7.28569344       5.66158224       4.22556798      -0.41810730      -1.95825749       0.17635782 
O       3.31513276       8.74952821       1.41585444       1.52356562       0.98392815      -0.17966029 
O       9.15271131       4.04206205       6.07528226       2.14543279       0.77236450       0.53018950 
O       7.58486805       2.35213312       6.76480728      -1.44525281      -0.76040739      -0.44135785 
O       1.52326242       3.75254986       9.27607976       0.72305567       5.02532325      -2.88257717 
O       6.78691551       8.39351628       6.92441011      -0.07219330       2.33864229       1.93608483 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0074263874503791545 -0.00026793560362006253 0.007023336655843431 -0.00026793560362006253 0.00046142194961680473 0.009960701244056002 0.007023336655843431 0.009960701244056002 0.00036846556886170736" pbc="T T T" energy=-1067.40556787 free_energy=-1067.40557111 config_type=crystal 
Hf       1.87330673       1.90564764       2.58075723       1.97020238      -0.55070371      -0.60966489 
Hf       3.77673107       7.00517196       0.27661122      -0.97450299       2.00671404      -1.30275405 
Hf       5.41506359       5.33538597       2.43936794       1.98593486      -0.01565370       1.78927402 
Hf       8.96249795       5.06105299       7.85091581       1.57957176       0.74516945       0.61165270 
Hf      10.85771756       7.37141099       5.16854459      -1.64562623      -1.05843422      -0.77354768 
Hf      10.81407861      10.62056113      10.39659001       2.15049922       4.65787525       1.34941049 
Hf       7.17806202       3.77173458       5.15155286      -1.93765556      -3.89678245      -0.43997694 
Hf       7.23373450       7.10225417       5.25453511       3.77952386       2.68913878      -4.07497558 
Hf       1.73490977       5.54930921       2.62427108      -2.95997187       2.71492477      -3.00705510 
Hf      10.57408852       3.67854328       5.06599398       1.39083910       0.05080308       1.30197119 
Hf       0.11065911       3.66490876      10.44627208      -0.04091888      -4.76672164       2.89585163 
Hf       1.90181085       5.43541074       8.11789439      -1.60427571      -0.63487739      -0.97558666 
Hf       8.92412949       9.02873771       7.78762830       1.44574389      -0.64016161       0.15166071 
Hf       1.84199339       1.70754990       7.74807630      -1.65791181      -0.76494255      -0.08432691 
Hf       7.36894688       6.87860945      10.25255951      -1.83199010      -1.21730076       1.49474515 
Hf       8.79853495       9.30551377       2.47991917       0.56593507      -2.42620464       2.18669575 
Hf       5.20572477       8.87949793       2.58982154       0.36454419       4.40993273      -0.27425403 
Hf       5.43944025       9.06544743       8.00375658       1.83532785      -3.99639807      -3.65476973 
Hf      10.80633841       0.24635015       5.15345332       0.90623482      -0.80584225       0.39449819 
Hf       3.32188451       3.99204243       5.24102172       1.39682078      -4.15313873       1.07663930 
Hf      10.82328460       7.17740433      10.38461250      -0.86964257      -0.81602121       4.34414587 
Hf       1.80062090       9.00302650       7.79783777      -1.43116780       0.53196433       1.93159456 
Hf       7.22051313       3.39161046      10.59348830       1.33994616       0.44944378      -0.04611792 
Hf       8.95557814       5.50399081       2.59832165       2.12694774       0.91767797       0.65485580 
Hf       3.56647535       7.54646158       5.31494206       0.24780095      -1.11201353       0.47595961 
Hf       3.48067705      10.46755928      10.42529373       0.06258514       0.00819726       0.80284208 
Hf       7.11616303      10.92351820       5.40689248      -0.90810740      -0.46226178       0.43465605 
Hf       5.63734176       1.62042023       2.73148527      -4.51993821       0.56757982       0.08739251 
Hf       5.18641329       1.74094017       8.13168233       1.33235081      -1.80550770      -2.21558189 
Hf       1.48904135       8.93107406       2.45180620       2.90285185       3.60980009      -0.13611570 
Hf       3.58625290      10.88456129       5.15237863       1.02842072       2.94822312      -2.20545306 
Hf       3.69589748       3.33559496      10.45514400      -1.89173111      -0.20788626       3.54360046 
Hf       7.34953701      10.61055820      10.61141389      -3.07759056      -0.14565042      -0.92542450 
Hf       9.23616711       1.81642362       2.28464392       2.43600057       0.06844924       2.27324900 
Hf       5.55911154       5.38597519       7.74964812      -0.29666602      -0.31023740      -0.61891484 
Hf       9.02286223       1.65258343       7.96238787       0.36288460      -0.01272745      -2.82893669 
O      10.85246887       8.69757146       1.45700132      -3.37945653       1.00872263       0.69586302 
O       5.59106734       7.30207123       3.51290682       0.15086360      -1.57004182       2.60575910 
O      10.56554503       5.54756436       4.05021425       2.25330716      -0.23653448       1.85215078 
O       0.27347217       1.96022287       3.74196634      -2.15585793       0.70789780       3.56957679 
O       2.29550068       0.01613052       3.30262162      -1.72927428       0.27057031      -0.96277153 
O       1.69374282      10.23433452       0.64936685      -1.19060891       0.67536076       1.05030209 
O       1.86514900       3.31955198       1.03655326      -1.65769663       2.23222481      -2.32610524 
O       0.14084716       1.49090168       9.27373065      -1.14754132       0.64954758      -0.18145943 
O       2.00625220      10.85918939       8.92105224      -0.60960069      -1.36024461      -2.77344819 
O       1.90428131       0.18449236       6.11012657      -1.28254912      -0.49157524       0.76748903 
O       0.04228402       1.98875098       6.46096520      -0.11881384      -1.36860773       1.09433352 
O       2.01275032       4.03761490       3.62485570       0.33660316      -3.46794084       1.14303650 
O       1.69979218       7.06673745       0.91312092      -0.19131696       0.06996805       0.50885990 
O       0.90626816       7.08474824       8.79938081       2.48156341      -0.17658711      -3.48735914 
O       0.05689286       1.45368864       1.41060977       1.35174989      -0.53701545      -0.84617945 
O       3.53672411       5.79885468       7.03115780       0.52406546      -0.29288599       1.23051520 
O       3.62908538       2.16356009       6.87806905      -0.69063121      -0.32655828       1.51478352 
O       5.02384860       3.59902617       8.91505281       0.54805522       0.60896012      -1.60299093 
O      10.72783155       5.11381621       1.60682919       1.68486427       0.20637343      -1.07631314 
O       1.63447053       7.52181540       6.20315646       1.05092240      -0.04872099       0.72996471 
O      10.78545036       9.66871974       7.11669978       1.20065387      -0.88504235       0.14623102 
O       3.71579883       1.89686421       4.38956113      -0.88101372       0.14824556      -0.23892949 
O       5.53574316      10.92946424       3.69647550      -1.11040332      -4.56454497       1.42304786 
O       5.03829025      10.95557140       1.02619052       1.79014951       0.29397988       0.25032800 
O       3.81258983       2.19120197       1.59411627       0.72528463       0.00988555      -0.13148106 
O       3.60128606       1.51389132       9.54198705       0.51375308       1.16894869      -0.04902950 
O       5.16100271      10.39562295       9.14832025      -0.79581362       3.29071394       2.12202502 
O      10.58583204       8.93531206       9.55112416      -1.54381217      -0.31990360      -1.59430368 
O       3.85972298       5.73098237       4.53043789      -0.52267842       1.11714400      -1.42082816 
O       5.43547177       3.58683346       3.36559749       1.17721400       0.18004659       0.79883325 
O       5.43393639       4.17367538       0.61850023       0.38917748      -1.03948358       0.41392141 
O       9.09941191       7.70427607       6.21740485       0.18110050      -0.00809885       0.30324957 
O       2.98746828       5.50769547       9.86199074       0.37037300      -1.71366344      -1.70522424 
O       5.27534150       3.95383787       6.20901389       2.00750558       1.28398183       0.01567074 
O      10.48748178       5.22646645       9.59550895      -0.16598710       1.61329149      -1.01082759 
O       9.11379220       0.16893440       6.19655639      -1.72143011       0.31134585       0.52778735 
O       1.58075611       3.86526957       6.17869021       0.82500515       1.15177324       0.16018199 
O       7.30638669       1.76743627       1.82287977       0.00807352       0.36154587      -3.16279755 
O       9.08141942      10.83638634       0.96105824      -0.37430936      -1.36189095       0.94334470 
O       7.51276410       9.08441610       4.54942065      -0.12747794       1.08424091      -1.93112748 
O       7.01387530       1.60739300       4.38481304       0.72422186       3.81877850       0.11011424 
O       3.67215780       9.03602016       6.96566296      -1.20614353      -0.99707351      -1.52273833 
O       8.62293448       6.82931677       8.71772511       2.06864435       2.01431508      -1.10707136 
O       6.75767592       1.29381091       9.61810302       0.15997239       3.14012757       1.11798177 
O       7.28828146       8.77674379       9.51614221       1.17938164       3.55077022       0.27385707 
O       5.63131421       7.18622589       9.08548957      -2.77278298      -1.31457651      -1.32058705 
O       8.97841987       7.25752940       3.59022270       0.06261927       2.09071860      -0.71792682 
O       5.67908938       7.33836550       6.21991128      -4.42656274      -0.21344687       2.32987894 
O       6.95890258       9.29007830       1.67222762       2.09982123       0.76579928      -0.24331918 
O       8.80266218       7.32271716       0.84958150       2.30694468       1.29035812       0.45143288 
O       7.11908116       5.01125819       9.18493970      -1.04777019      -0.27795991       0.14067153 
O       2.92431504       8.46452222       9.51598480       1.60907773       0.48999830      -0.52117757 
O       8.96636148       0.12571813       9.22839392      -0.80139991      -1.97695929      -1.36061235 
O       7.50541963       5.47736214       6.52507486      -1.42160187      -1.12626739       0.93202158 
O       5.23289675      10.86825657       6.51305538       0.12908044       0.70165234      -0.63588646 
O      10.52381385       5.34797080       6.68310354       0.32720872      -0.18984630      -0.21472350 
O       0.33929242       9.19384879       4.43724994      -1.38608621       1.92392459      -0.99117415 
O       1.57397369       7.38523122       3.62996123       1.05824285      -3.97319791       0.31672714 
O       3.46683743       9.12263337       4.01120253       1.75133681      -1.87130815       1.63967948 
O       3.59695023       5.56249826       1.75811579      -1.35894169       0.19900411       0.58273937 
O       5.69133918       6.90716462       1.20382268      -1.01347497       2.05594458      -2.98378266 
O       9.26366908       0.15042018       3.46322517       0.37600888      -2.17057071       1.16175568 
O       8.84921182       3.39385853       8.95056154       0.21705295      -1.81099969      -0.06712122 
O       7.60923924       5.31479844       1.22741141      -2.12405163      -2.73414097      -1.29576772 
O       9.16777307       3.07440414       0.80307197      -0.66168688       1.81080742      -2.71395102 
O       9.03300781       3.61337842       3.53520529      -0.36196121      -0.92079256       0.09761885 
O       7.22721206       5.42628976       4.06021104      -0.15958667       0.03685529      -1.03645375 
O       3.68115300       8.94337447       1.33682092      -0.67569879      -2.78082129       0.21032833 
O       8.86116175       3.08253119       6.06742796       0.74560519       2.30067402       0.29381914 
O       7.06851298       1.84714709       7.06060597      -0.41903997      -0.68475371       1.42233455 
O       1.56469221       3.47855969       8.81429701       0.83521064       1.55153928       0.72635472 
O       7.15710659       9.38970778       6.93462075       0.55307836       0.06461191       1.82505601 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.007033357467401637 -0.000697944643232682 0.006518568985724648 -0.000697944643232682 0.005622789967751351 0.0037464658465699166 0.006518568985724648 0.0037464658465699166 0.0029211237882519475" pbc="T T T" energy=-1067.02438359 free_energy=-1067.02438791 config_type=crystal 
Hf       1.88354325       1.92833762       2.57113012       1.09151531      -1.77013610       1.65426805 
Hf       3.78678911       7.02073693       0.27796121      -1.15111910       3.03163307      -0.67912593 
Hf       5.42501799       5.34265330       2.43599578       0.95836535       0.06794405       1.60107349 
Hf       8.95540832       5.07817710       7.86649909       1.81463936       0.89707819       0.31484646 
Hf      10.85081626       7.36784087       5.14868080      -1.15221603      -0.23227736      -0.24553465 
Hf      10.81791846      10.61674352      10.43826026       1.59108888       3.10191815       0.31398597 
Hf       7.16491055       3.78542432       5.12660638      -1.87586725      -3.63824992       0.05742349 
Hf       7.23430596       7.09165895       5.24070392       3.78761794       4.99296741      -2.45537165 
Hf       1.71594439       5.55801265       2.62233873      -3.74257548       2.96045316      -1.52460245 
Hf      10.57958909       3.68409195       5.07877833       1.83411572       0.42653801       0.57924660 
Hf       0.10903093       3.63465136      10.43736933      -1.08784332      -3.58985418       2.52110749 
Hf       1.92327847       5.42765970       8.10781023      -1.11670835       0.56823276      -1.07962486 
Hf       8.95270756       9.02640014       7.80043773       0.63691473      -0.08946427       0.27358758 
Hf       1.82582562       1.73969283       7.71541487      -1.14329192      -1.37140309      -0.56967067 
Hf       7.34684567       6.87862161      10.25040820      -0.36899496       0.30421825       0.58884112 
Hf       8.80808540       9.30195614       2.51717647       0.69138764      -2.62107640       2.67511456 
Hf       5.21365254       8.88633184       2.60319006      -0.42634546       3.57659272      -0.04546465 
Hf       5.40635631       9.06135745       7.99379859       2.82389293      -2.46068889      -4.09983664 
Hf      10.80156477       0.24797164       5.14520161       0.11744941      -1.31681817       0.64866571 
Hf       3.32324590       3.96184134       5.25089861       2.15766124      -3.45994053       0.23881745 
Hf      10.81759296       7.15571901      10.39111511      -1.38821626       0.55864077       3.42187252 
Hf       1.80699477       8.95667955       7.81811471      -2.05304291       0.73405482       1.24952724 
Hf       7.23156915       3.40134367      10.57338386       1.71800922      -0.50058359      -0.07277449 
Hf       8.95035586       5.49051581       2.60435871       3.21713876       2.09918302       1.85956070 
Hf       3.56773901       7.55717479       5.32674280       0.18252759      -0.58652336       0.06913398 
Hf       3.49526628      10.45961103      10.40666066       0.00209429      -0.30886916       0.60545541 
Hf       7.11557053      10.91261216       5.39121608      -1.23455107      -1.77084481       1.19370775 
Hf       5.64930024       1.57894991       2.72508694      -3.90316598      -0.80418378       0.99801052 
Hf       5.17354142       1.75477179       8.14343195       2.42885515      -2.20882669      -3.01232350 
Hf       1.47862428       8.91626758       2.44107485       4.09925499       3.23986720       1.01778959 
Hf       3.56012492      10.90791981       5.17288909       1.55889086       1.80601719      -2.33288408 
Hf       3.68405251       3.35283236      10.45109360      -0.55334808      -0.40639227       3.10956796 
Hf       7.35020708      10.61014494      10.61546705      -1.86665755      -0.58709312      -1.12215360 
Hf       9.23640957       1.80951389       2.30420798       1.02145817       0.16989003       1.63732213 
Hf       5.56973229       5.39342034       7.78407959      -0.65693679       0.25724460      -1.95324125 
Hf       9.03079941       1.66344170       7.97192910      -0.11147001      -2.43706365      -3.29349695 
O      10.83196044       8.68122895       1.54149443      -4.32549658       1.07285057      -0.80714294 
O       5.59202249       7.25494542       3.51696200      -0.06101481      -0.73280211       1.29570177 
O      10.65060084       5.59464240       4.05252786       0.88833851      -0.90988037       0.93699924 
O       0.20985210       1.97314328       3.72937172      -0.98544832       0.46913308       2.70349989 
O       2.25816647      10.91332824       3.30719496      -1.60933570       1.57313837      -0.97691875 
O       1.75585841      10.12732673       0.64536918      -3.01972327       1.69127847       0.58334253 
O       1.85264766       3.25021178       1.12166508      -1.65290005       2.97711382      -4.22995305 
O       0.08299126       1.50564572       9.28788805      -0.10036225       1.22389143      -0.35440745 
O       1.99971815      10.81770482       8.90275686      -0.81718796      -0.40574780      -2.40756931 
O       1.89789528       0.20779851       6.12254305      -1.41999153      -0.07855919       0.77291120 
O       0.07153238       2.02975819       6.42987590      -0.55873952      -2.02600341       1.53299235 
O       1.97912328       4.02979538       3.63532282       0.65759327      -3.19835092       0.59404060 
O       1.69342028       7.11489356       0.93560465      -0.41618981      -0.43942973       0.15904956 
O       0.90562712       7.03754048       8.77607917       2.34013152      -0.07282237      -2.61543822 
O      10.88544446       1.43535717       1.37610740       3.68590060      -0.43635825      -1.03178451 
O       3.55335082       5.82781982       7.07044024       0.29744330      -0.59279265       1.37741315 
O       3.67541403       2.18418454       6.85112730      -1.58979984      -0.24999971       2.05465538 
O       5.06269803       3.69244732       8.88381769      -0.43249496      -0.83397464      -0.30639348 
O      10.69509655       5.09585056       1.55413327       1.81080720       0.03697619      -0.91661888 
O       1.67658616       7.48880212       6.20718475       0.28502900      -0.20484280       0.81251465 
O      10.83014919       9.61844649       7.08956075       1.04066668      -0.23862382      -0.23253836 
O       3.71902362       1.89446255       4.46077181      -0.87969571      -0.10675605      -1.13680984 
O       5.64097313      10.83408021       3.79457553      -2.29285919      -2.71504961      -0.56957904 
O       5.03561776       0.00508556       1.02863072       1.91447687       0.23357627       0.65893372 
O       3.84262812       2.19628183       1.63794676       0.59957764       0.34552243      -0.72767920 
O       3.65790941       1.45116241       9.48963242      -0.41589349       3.05429159       1.09341490 
O       5.13790571      10.46058622       9.09835310      -0.43832099       2.14772840       1.82726947 
O      10.46712663       8.93535578       9.46611427      -0.14360578      -0.42688438       0.67191220 
O       3.81335785       5.76700263       4.57503951      -0.56735594      -0.14235326      -1.59851421 
O       5.45501990       3.53717539       3.37320573       1.28922277       1.49426395       0.38997874 
O       5.51070224       4.25397640       0.62103174      -1.03847030      -1.53113484       0.14031864 
O       9.09027899       7.81038395       6.20202288       0.17491300      -1.30595941      -0.40538340 
O       3.09834836       5.49972235       9.94539640      -0.75375062      -2.63820815      -2.95436238 
O       5.28349287       3.95772397       6.17584047       1.98779094       1.42730472      -0.02337380 
O      10.41101931       5.24215216       9.58041216       0.34769932      -0.20712530      -0.37879721 
O       9.00737044       0.22243518       6.21455724       1.13023959       0.34142296      -0.10819310 
O       1.58946701       3.75700972       6.08093062       0.64671179       1.36945538       1.36331777 
O       7.26566203       1.86182977       1.74461324       0.35438181       0.51794129      -2.51640460 
O       9.10946404      10.86766396       0.99119347      -1.54173853      -1.72841300       0.20146171 
O       7.53720836       9.12564835       4.40549400      -0.15174446       0.86683366      -0.83054893 
O       7.02230156       1.57367196       4.38472918       0.88335734       5.16158776      -0.76064168 
O       3.62598615       9.05236312       6.92772487      -0.55120735      -0.71879444      -1.15201853 
O       8.71847113       6.93130716       8.68762537       1.13626223       0.46301192      -0.54942948 
O       6.81606274       1.26388909       9.61317116      -0.28517390       3.55615746       1.17385247 
O       7.31622266       8.79718988       9.41681421       0.79236021       3.26836898       1.63218925 
O       5.68623215       7.25105188       9.01991587      -3.23711375      -1.89386201      -0.89460675 
O       8.93748157       7.35964282       3.61177820       0.81158611      -0.10619158      -1.34351833 
O       5.66952929       7.37676869       6.20101440      -4.23049286       0.00151711       2.02980898 
O       6.97633051       9.33300829       1.75722359       1.55885543       0.72553000      -1.52466426 
O       8.83843922       7.29805279       0.82815205       1.83103647       1.15891560       0.05320181 
O       7.08207311       5.12934217       9.12387610       0.61704332      -1.34286822       1.32490335 
O       2.90531296       8.48117622       9.51952585       2.03171098      -0.18948040      -0.61715676 
O       8.98578526       0.06307106       9.19178680      -0.66400869      -1.19942957      -1.01566979 
O       7.44649651       5.47904586       6.57158832      -0.82592525      -0.88489570       0.46934370 
O       5.23932507      10.87629105       6.54075976      -0.56786157       0.89667851      -0.95305616 
O      10.54669337       5.25099617       6.63470141      -0.19317439       0.31178772       0.70468646 
O       0.38221825       9.15496715       4.40343601      -1.87871371       3.12714608      -0.29911461 
O       1.46650552       7.38677777       3.67817831       2.01382420      -4.59583690      -0.95194384 
O       3.44507311       9.07364800       3.91617927       2.08461292      -1.51956826       2.45239508 
O       3.51504131       5.60132063       1.78068402       1.40782185      -0.10941279       0.76792023 
O       5.72395869       6.91418041       1.11959583      -1.33340199       1.40333664      -1.74748540 
O       9.39280899       0.11307720       3.44013144       0.03482874      -1.40382313       1.40705345 
O       8.80674778       3.30269190       8.91656394      -0.33047399       1.73660037       0.29829663 
O       7.65057590       5.33487607       1.25499600      -2.71666656      -2.98884751      -1.93197728 
O       9.18699034       2.99123834       0.65783253      -0.74873042       1.75037754      -1.21127448 
O       9.04263616       3.57629981       3.51678524      -0.67688099       0.19738391      -0.22230154 
O       7.25238391       5.53468963       4.08963307      -0.11381141      -2.96300921      -1.92649671 
O       3.61434693       8.94409954       1.30149682       1.51674593      -2.95183077       1.12339256 
O       8.89790258       3.18141204       6.02659623      -0.59043686       1.50147362       0.84721573 
O       7.05941040       1.87498245       7.12392218      -0.24385304      -0.09651821       0.88573305 
O       1.65039069       3.54186094       8.80062961       0.46234158       0.32656108       1.34854797 
O       7.17524962       9.44798778       6.89619224      -0.18881217      -0.77730958       2.31501482 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.011039326882181405 0.001498111624423474 0.005931499184687142 0.001498111624423474 -0.004992909393476028 -0.0032583182479553005 0.005931499184687142 -0.0032583182479553005 0.026250512062146802" pbc="T T T" energy=-1066.50730732 free_energy=-1066.50730815 config_type=crystal 
Hf       1.70588634       1.87399619       2.46089092       0.21401282      -2.03674369      -0.40572600 
Hf       3.59983407       7.20167187      10.22318807      -1.48531487       0.08835445       1.07322053 
Hf       5.41648140       5.58308754       2.58662157       1.16726536      -5.98316097      -1.51432971 
Hf       9.01617556       5.38754124       8.01288997      -0.29530614      -1.09338102       0.54926753 
Hf      10.90726815       7.29128209       4.97411712      -0.50267114      -1.74884776       1.00623571 
Hf      10.87069143      10.82044492       0.12819446      -2.53086336       0.31560234      -1.96163027 
Hf       7.31643849       3.58129399       5.42773988      -1.15106832      -0.27603097      -1.15098552 
Hf       7.45910654       7.21924201       5.22408250      -0.36473935      -0.10140112       0.30230255 
Hf       1.75611467       5.10628089       2.78170879      -2.62312867       4.08799722      -2.28740187 
Hf      10.68394970       3.39573354       5.34649170       2.32223393       3.16607885      -2.05311608 
Hf      10.37270245       3.65962753      10.51536302       2.61919693      -1.05999487       0.03789436 
Hf       1.56811157       5.46364085       7.75531135       0.20820012      -0.38093804       0.25259699 
Hf       9.26156673       8.96223282       7.75787273      -1.21646603       4.54541886      -0.58292034 
Hf       2.01158898       1.81862599       8.27530223      -1.34415160      -0.06357338       1.19499933 
Hf       7.18639899       7.10035122      10.40746018      -0.43556225       0.63352947      -0.90222234 
Hf       9.02037324       9.21213490       2.74359925      -0.60763639       0.25812325      -1.10202791 
Hf       5.58193431       8.75023422       2.30997262       1.27053320       4.60947592      -1.83317340 
Hf       5.30938738       8.88785089       7.74967703       4.14051944       0.61403215       1.43876587 
Hf       0.28259698       0.09035117       5.60908220      -1.72625778      -1.40078821      -2.21716234 
Hf       3.39992563       3.41497720       5.13720052       1.82103299      -1.08049970       0.54125129 
Hf       0.02653488       7.25187939      10.53618768       0.53265896      -2.16033376       0.71391630 
Hf       2.03503416       9.09479812       7.79942096      -1.55431688       0.01672413      -0.14380192 
Hf       6.92543923       3.54683770      10.58424447       1.00960499      -0.57193154      -1.67605124 
Hf       8.90373840       5.46603955       2.42100400       0.95778170      -0.56014335      -0.72587341 
Hf       3.54445828       7.18230046       5.22116590       0.57492068      -0.32443201       0.38862647 
Hf       3.28397248      10.79882807       0.10652394       2.71751378      -1.37630844       0.42930638 
Hf       7.01503959       0.11748831       5.20905692       1.96325767      -0.33641502       0.79244612 
Hf       5.54395874       1.84773488       2.49783275      -1.86244911      -0.84032193       2.30423451 
Hf       5.33892037       1.75586685       7.97663105      -0.09508151      -0.79357199       0.79551326 
Hf       1.55209346       9.27012074       2.64872597       1.41418682      -1.25819350       2.08679155 
Hf       3.79082837      10.72918144       4.86718959      -3.29260805      -0.78328224      -2.21493643 
Hf       3.52267172       3.82193114       0.06107285       0.40762014      -1.84297993      -0.73313790 
Hf       7.34060885      10.59379157      10.18563869      -1.82174019       0.13134898       1.04766887 
Hf       8.88887100       1.77958012       2.58381594       1.32672238      -0.13938368       1.72531743 
Hf       5.49455682       5.29309953       7.63907272       1.42866003       1.65553464       1.97293966 
Hf       9.16493021       1.63374678       7.78479694      -0.29527249      -0.96071296       1.31573296 
O      10.80167937       9.06478733       1.51598887       1.01252683      -0.50794164      -0.18727984 
O       4.93430740       7.20684486       3.29463233      -2.17216417      -0.27582881       3.23069301 
O      10.88329138       5.31288903       4.29920920       0.10007097      -1.77762470      -0.33211319 
O      10.51886831       1.80071501       4.17402105       1.30336458      -0.72317914      -0.33386846 
O       1.73304024      10.94871426       3.88312265      -0.40310763       0.71320082      -1.03125102 
O       1.54536571       0.17328119       1.24011636      -0.29570603      -1.31836814      -0.22382223 
O       1.94825651       3.24833283       1.05661571      -1.59167835      -0.81823756       1.65480334 
O       0.11781294       1.90639221       9.27895353      -2.48239211      -0.99333619       1.99161165 
O       1.67227739      10.78335908       9.21866392       0.55735932      -0.65384920       0.30790924 
O       2.07148981      10.64051716       6.36169321       1.60586208       0.81175825       0.48642375 
O       0.09666829       1.59340887       6.93989061       2.61573429       1.47264899      -0.69164251 
O       1.70496735       3.39482079       3.79371533       0.25450009      -2.13581296      -0.17351843 
O       1.92856003       6.53190694       0.86606144      -0.98207211       1.98405180      -0.30799811 
O       1.67538801       7.32632574       9.11652274      -0.60304073       0.75094116      -0.82645634 
O      10.60312893       1.81031608       1.41836001       0.61978310       0.41344793       0.31711595 
O       3.72020884       5.93415361       7.07185220      -2.90792208      -0.52771388      -1.08479167 
O       3.55252715       2.08924576       6.88237316      -1.12817042       1.53164112       0.51970926 
O       5.28491069       3.50142431       9.22277639      -0.40335281       0.88007680      -1.28854667 
O      10.92747967       5.02823484       1.39141847      -1.01688473       0.04403337       2.08157253 
O       1.46350390       7.17766421       6.55574973       1.13977822       1.35086933      -1.61569931 
O       0.10812203       9.63668867       7.21593807       0.04483536      -0.77958064      -0.95974029 
O       3.80668356       1.59487500       4.02165402      -1.07073096       2.02935812       0.70912567 
O       5.38040965      10.56521789       3.38315426       0.62714693       0.77210841       1.70795623 
O       5.65222461      10.01115040       0.64381426      -1.23623168       1.19872511       0.07368777 
O       3.78928796       1.18355422       1.50037944      -0.60712024       0.32995220       1.24717733 
O       3.73019699       1.42259847       9.65221563      -1.90791466       2.89040117      -2.44339247 
O       5.52310421       0.02529740       8.89470168       1.27663245      -2.20078555      -1.41236772 
O      10.40506516       9.00470496       9.68085547       1.38737918      -0.36536426       0.81563321 
O       3.03399764       5.28088315       4.44238959       1.77457922       2.37013760       0.10201143 
O       5.41705550       3.57741557       3.66808459      -1.14746373       1.65220067       0.31066691 
O       5.24242266       3.31779715       1.17239092       1.19892587       0.58957210      -1.64374931 
O       9.20406154       7.81811231       6.07815028      -0.02429818      -0.56091242      -2.21117124 
O       3.28669920       5.33848487       9.54696387       1.45511179       1.99626806      -0.20789591 
O       5.50074082       3.84701633       6.41736355      -1.51450857      -1.97159955      -2.27308749 
O      10.59519405       5.41667017       9.46311849       1.67742391       1.21972317      -0.30835701 
O       9.20085242       0.42706663       6.01364023      -2.30353557      -0.86495384       1.29220798 
O       1.70668251       4.01365544       6.15862584      -0.49380429      -0.74193590       1.98813318 
O       7.30319510       1.59574523       1.54028006      -2.41057242       0.86774981      -0.73054391 
O       8.99016119      10.77137310       1.04560183       1.05004708       0.49369951      -0.49291581 
O       7.05501354       8.48674680       3.75834574       1.59896795       0.77397108      -0.34005942 
O       6.98684268       1.82409019       4.19938089      -0.42948845       0.44995959       0.04057248 
O       3.71880352       8.86240689       6.65995198      -1.07981758      -1.72505884      -2.03279185 
O       9.00957862       7.31360604       8.42483823      -0.50533009      -5.09669073       3.07935433 
O       7.26516452       1.71983212       9.61092079       0.13510519      -0.04466388      -0.45641090 
O       7.17555430       8.77018465       9.18582786      -0.42554412       0.98353989      -0.01773270 
O       5.34710735       6.95051817       8.76524311      -0.50360535       2.87409513       1.41608278 
O       9.67726104       7.17833614       3.30622273      -3.38068942       0.17926232      -1.05844928 
O       5.67735910       7.06028809       6.03744993      -2.38364494       0.56043454       0.21603639 
O       7.64159877       8.71840375       1.26526861      -0.80258873      -1.08033057       0.52601878 
O       8.91501059       6.58836420       0.57003805       2.73483121       0.39931469       0.60079267 
O       7.19747364       5.28422780       9.14848893      -0.92683481       0.35769715       0.97137577 
O       3.72099767       8.95048284       9.07142762      -0.79991571       0.69272415       1.89589953 
O       8.95503166      10.69119260       8.76540946      -0.73035747       2.85383263       0.25659498 
O       7.53419688       5.50160656       6.52225924       0.29336580      -1.12978402       0.48925889 
O       4.84223263       0.16216052       6.34477226       4.30732681       0.00176784       1.08026504 
O      10.55108815       5.41609663       6.81333409       2.14568169      -0.13306100       0.00043675 
O      10.67241161       9.29123547       4.19726275       0.54583398       0.80951190       0.49010542 
O       1.28990992       7.26094668       3.56385034       3.01073378       0.69456003      -1.54326769 
O       3.35210784       8.88243096       4.03135075      -0.67304062      -0.11895340       0.96565399 
O       3.52876063       4.95799143       1.87463301       1.96175451       0.51706971      -0.24984590 
O       5.32858711       7.30191040       0.82137277      -0.81172536      -1.02309631      -0.47057179 
O       8.41648466       0.03620717       3.59234765       0.26911997      -1.91293748      -0.34418546 
O       8.93088923       3.61394474       9.13258242       0.19421347      -1.41289018      -0.99295101 
O       6.93635984       5.43445746       1.12567881      -1.14330397      -0.45057475       2.28149834 
O       8.71525642       3.74850041       1.03312892       0.18408706      -0.74170036       1.61226823 
O       8.69060750       3.71392273       4.02616433       2.61650194      -0.60765961      -2.61388256 
O       7.11331184       5.46725052       3.95415264       0.18705371       2.33100347      -0.82442026 
O       3.13157024       9.06764575       1.36892666      -0.00656444      -0.26564786      -0.70681115 
O       9.20331226       3.24987686       6.50929611      -3.16984681       0.50765973       1.11297742 
O       6.99453905       1.86140315       6.75945739       1.25479256      -1.11798754       0.14238585 
O       1.79797360       3.61957754       9.18249535       0.60820783      -0.57106022      -1.96006986 
O       7.07232106       9.29584532       6.49014446      -0.20580557       0.42150157      -0.06324155 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014938682352042472 -0.002803611650354198 0.0022667322771110056 -0.002803611650354198 -0.021675917273502134 -0.017167912546536643 0.0022667322771110056 -0.017167912546536643 -0.0379094424244391" pbc="T T T" energy=-1058.72094834 free_energy=-1058.72095039 config_type=crystal 
Hf       1.73297330       1.87490740       2.80499884      -1.87146541      -3.79926086      -2.68329272 
Hf       3.77633588       6.98904265      10.62057078      -0.06230596       2.14664445      -4.32642166 
Hf       5.24464410       5.59407992       2.49967242       5.43880920      -6.50647693       1.51654011 
Hf       9.21304633       5.58568072       8.02801036      -0.17265655       2.57261878      -3.07882419 
Hf       0.11447650       7.08869097       5.20910528      -2.18353214      -1.12743619      -1.74471958 
Hf      10.61924565       0.17200449      10.19490112      -0.87846522      -1.31638012       1.19674806 
Hf       7.19718057       3.31222844       5.17606780      -0.96828002       6.32471535       3.51672583 
Hf       7.30473617       7.00437633       5.04630769      -0.05927228       4.86658370       3.55193429 
Hf       1.84744947       5.41736216       1.95815899      -2.09900848      -0.81194636       5.20422202 
Hf      10.88577434       3.71184470       5.73926768       2.64371963      -1.26238014      -4.29841171 
Hf      10.67316922       3.64139751      10.56640816       0.87806423       1.24166139       0.42628830 
Hf       1.95827171       5.21407730       7.82710058       1.31644158       0.87006868      -0.56348925 
Hf       9.24308867       8.97004773       7.75269747      -2.28618235       1.83410707      -0.18628776 
Hf       1.62117532       1.42924657       7.66626510       2.45593088       0.77489735       0.34883733 
Hf       7.28623664       7.34031041      10.60550491      -0.47513398      -0.25617593      -1.14184537 
Hf       9.17885649       8.81405171       2.55132468      -2.93558178       1.20420514       2.16304397 
Hf       5.37139757       9.13795829       2.52692135       1.91616889      -3.04983712      -2.56630200 
Hf       5.49471634       9.09238035       7.96075037       1.96030514      -1.08498554      -0.40444748 
Hf      10.73720528      10.92195828       4.99304141      -2.95530971      -0.23221842      -1.89375783 
Hf       3.79888366       3.69687694       4.99136979      -0.56171924       0.20457395       1.70197560 
Hf      10.81445067       7.23115458      10.50008575       0.73763811       1.55034644      -0.56461157 
Hf       1.89645676       8.81273601       8.04606744      -3.13754517      -0.12960111       0.97180880 
Hf       6.98552741       3.71190102       0.19282026      -4.57097836      -0.57708699      -1.74064511 
Hf       9.08790624       5.29489018       2.18037715      -2.19120416       3.83280825       6.86611140 
Hf       3.35697143       7.37998965       5.23903644       3.73293047      -3.05305865      -0.50071466 
Hf       3.17601589      10.79104668      10.57281383       0.47898294       0.36139696       2.38286228 
Hf       7.09755229      10.76742829       5.26648179       4.80226325      -0.54332523      -0.64583169 
Hf       5.37163510       1.46401719       2.69320642      -1.29878516       3.50894416      -1.19039332 
Hf       5.18299809       1.72195321       7.90531673       1.93650494       0.38087146      -0.35651411 
Hf       1.37392765       8.92641316       2.60642361       2.26652324       0.65251484       0.72896078 
Hf       3.73221322      10.69620738       5.17402044      -5.30406799       3.29529516       1.11840524 
Hf       3.47686173       3.31971467      10.30569005       2.32926526      -2.08518807       1.28740033 
Hf       7.28841272      10.87793510      10.32938156       0.51890572       0.50358117       1.61170717 
Hf       9.06709488       1.99221110       2.80218938       1.67402999      -5.41096020      -2.26596590 
Hf       5.69029770       5.41286395       8.02373251      -1.59554811      -0.96972492       2.17388915 
Hf       8.89979907       2.06212802       7.92703422      -2.14040657      -2.52723195       0.40831425 
O      10.65998794       8.69884477       1.31852989       1.32969393       2.32700297       1.32403641 
O       5.21179703       7.17418984       3.38870451       0.17232462       7.43738604       1.43342653 
O       0.00429344       5.21360170       4.33201115      -0.31579942      -1.03251907      -0.25110295 
O      10.85925173       1.84610747       4.21726865      -0.18969472       1.48127270       0.17417609 
O       1.42123938      10.80134368       3.51355041       0.64953546       1.45498687      -1.32068022 
O       1.23093936       0.33836291       0.74518070       1.60101217      -0.78895710       0.96811633 
O       1.85431987       4.08577967       0.48069057      -1.20241629       0.60557053       0.52934921 
O      10.71175373       2.05828203       9.47348803       0.22330113      -1.25526538       1.97773177 
O       1.57049089      10.84784434       9.01474837       0.74789904      -0.85463338      -1.72993074 
O       1.27311295       0.10214016       6.08115436       4.23476224       0.82987459       3.03826877 
O      10.76008273       1.89609116       7.30540683      -0.24577426       0.98341593      -3.55593748 
O       2.14862991       3.45277606       3.61358981       1.06201698       3.53416753       0.73050580 
O       1.54580932       7.28659062       1.00204579       2.82965704      -0.43626093      -0.36337324 
O       1.54805585       7.06876321       9.08691503       3.41673534       1.42352476      -1.42810843 
O       0.20624933       2.70529693       1.68152544      -1.60751966      -0.76335992       0.32980816 
O       3.96485095       5.34200098       7.25175493      -4.96911880      -0.15821595      -1.46689411 
O       3.53026281       1.15000059       7.00935038      -0.48490898      -0.14417540      -0.89726742 
O       5.62274015       3.33899164       9.14935413      -1.16286700      -0.68556580      -1.29882950 
O      10.92519436       5.50607387       1.60859158      -1.37351022      -0.34455973      -2.32644191 
O       1.76387513       7.09758505       6.39842342       2.06857053       0.82579813       0.87274437 
O       0.07032613       8.88363360       6.82518574      -0.11592525      -0.42874439       0.15620523 
O       3.99213041       1.68565214       4.56841892      -0.64433719      -0.97494331      -2.31201911 
O       5.21356905      10.65939840       3.72894837       0.74683665       1.04917443      -1.02224797 
O       5.41021117      10.91589249       0.65640123      -0.42538856       0.01688564       2.63220236 
O       3.45858438       1.93476890       1.57379787      -0.25708935      -1.46894489       0.36351723 
O       3.71380407       1.37562309       9.48289714      -0.31165057       1.69207043       0.15084632 
O       5.75639404      10.90061534       8.91906345      -0.23707133      -0.01229174      -2.72930214 
O      10.84629264       9.04387386       9.39127357      -1.28872602      -0.28079317       0.17242284 
O       3.67566175       5.57289386       4.37264518      -1.12139712       0.36855990      -0.37592400 
O       5.28261333       3.80585441       3.64867997       0.57012505      -1.59469287       0.00867799 
O       5.08098217       3.83057246       1.18194980       0.83055245      -1.42605345      -1.90464340 
O       9.24160654       6.90234322       6.07508201      -0.62594886       0.77724088       1.45800360 
O       3.97139212       5.09719979       9.83656862      -0.80567612       3.81564602      -0.68627938 
O       5.40939671       3.22852777       6.32296528      -0.78563319       1.41898317      -0.02033947 
O      10.94693040       5.57167840       9.39767882      -1.87128938      -3.11422409       0.35579918 
O       9.02936527      10.94718272       6.08625979      -0.38508247      -1.22496006       1.04883508 
O       1.95458031       3.60113542       6.41249504      -0.53027737      -0.54665228      -2.68546561 
O       7.20131274       1.65615980       2.11408174      -1.18629853       0.81699222      -3.78476205 
O       9.11592348       0.38060355       0.96996853       1.75003534      -0.32754797      -1.89271444 
O       7.19755888       9.03345481       4.05264234      -0.32177055      -1.01327975       0.05547821 
O       7.04869785       1.87436376       4.22319028      -1.83164500      -6.97697184      -0.66300136 
O       3.58470580       9.23538310       7.15560829      -0.38022266      -0.85299002      -1.42816987 
O       8.64419230       7.21228079       9.09023287       3.75198873      -0.98261735      -2.33548967 
O       7.73253543       1.94482706       9.83559415      -0.34672170      -0.35207230      -0.46004778 
O       7.40118995       9.05622029       9.30184839      -1.38050142       0.53586699       1.43569970 
O       5.27808674       7.17688874       8.99479529      -0.10483707       2.27035193      -1.18658516 
O       9.29520406       7.05721143       3.53007404      -1.15728502       0.39928257      -0.52317668 
O       5.35475804       7.11474149       5.95409263      -0.35121879       1.29882224       0.53489551 
O       7.52748907       9.30986987       1.46446553      -1.61780790      -1.09210682      -1.04457319 
O       9.02443638       7.00154903       0.93266626      -0.64316557      -0.01410319       0.17306982 
O       6.79304002       5.46460892       9.75113643       1.69580854      -0.45478369      -0.15238903 
O       3.62372483       9.03977796       9.70359015      -1.17197336      -0.45840069      -0.27242044 
O       8.92592124       0.01473001       8.59183640       1.24390249      -0.80243645       1.47318319 
O       7.33195285       5.66639324       7.15187316       2.36379237      -0.51002577      -2.21883330 
O       5.30961450      10.52187891       6.06224356       3.76452448      -1.00820315       3.75849556 
O       0.19073706       5.38773001       6.65097016      -1.35475468       0.76413037       4.25694420 
O      10.72496688       9.09065576       4.04568460       0.15311013      -1.27876067      -0.32650957 
O       1.62069621       7.15537050       3.61426667      -0.17524968       0.06529055      -0.13481879 
O       2.97288704       9.07309428       4.34524447       0.84701132      -0.26586061       0.04676577 
O       3.62788745       5.98995997       1.64161270      -1.49316479       0.62084173      -0.84211363 
O       5.51700709       7.49218632       0.84171349      -1.51372078       0.73572832       1.47118624 
O       8.83582895       0.13679125       3.69045130       0.63096032      -0.39220109      -0.99792861 
O       9.15165603       3.88224239       8.79061486      -0.37864970      -1.37482149       1.75737645 
O       7.07087169       5.35333836       1.37292168       0.17774468       2.37692705       3.17047587 
O       8.78614349       3.90808364       0.98960529       3.78428665      -4.36441752      -3.37209954 
O       8.62677357       3.62527751       3.53244462       0.32105210       3.14533649       1.13121304 
O       7.06631794       5.49927918       4.10039557      -0.19443133      -3.43465941      -1.09844879 
O       3.47745226       9.47224634       1.85584200      -1.06164993      -0.45051220      -0.81742765 
O       9.03910548       3.37116372       6.24827168      -2.07492937       0.55285700       0.15424645 
O       7.05671600       1.62089857       6.79656503       1.14770005      -0.42349504       1.11077479 
O       2.06684995       3.46951442       8.61007874       0.28194990      -2.11286920       3.26709415 
O       7.32887059       8.79893506       6.68855452      -0.05470100       1.47063442       1.25254536 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008585642095520958 -0.001756865468798632 -0.017018262141651645 -0.001756865468798632 -0.019482838848574466 0.004719691313573311 -0.017018262141651645 0.004719691313573311 -0.01096447251940827" pbc="T T T" energy=-1064.13869945 free_energy=-1064.13870288 config_type=crystal 
Hf       2.13631351       1.53993625       2.54328427      -1.32071495       0.72096216      -0.13924944 
Hf       3.43717307       7.07017719       0.19620730       1.06788485       0.52286143      -0.03169628 
Hf       5.40909049       5.84048594       2.74244824       0.38935754      -1.94626015      -1.56010961 
Hf       8.97966918       5.23694258       7.97142996       0.77704438      -0.14526148       1.20773486 
Hf      10.90486747       7.37809174       5.41705263      -1.53091974      -0.47884582      -1.08078901 
Hf      10.70910205      10.72998857      10.25655910      -0.10449768       2.26935658       1.94803522 
Hf       7.47208721       3.90937152       5.11084209      -1.51551317      -2.17891243       0.08961856 
Hf       7.10420993       7.20714242       5.26697987       0.46475955       4.82926774       0.01977992 
Hf       1.65542048       5.52467848       2.91415123      -0.28307340      -1.91033143      -0.14370669 
Hf      10.92656046       3.41832240       5.34667111       1.46427110       1.66858957      -0.37128083 
Hf      10.93649032       3.38410002       0.16992242       2.60414690      -0.94362725       2.06637909 
Hf       1.43147196       5.11868198       8.00582689       0.80888560       3.17368824       0.26248532 
Hf       8.84634145       8.99866656       7.75051768      -1.48845458      -0.22433111       0.43591296 
Hf       1.96116695       1.30399857       7.75100374      -3.36780918       2.98868614       2.22755922 
Hf       7.21649063       7.16929810      10.43095781      -0.03641873       2.68724780       1.35019009 
Hf       9.10161987       8.92738912       2.69590969      -2.30899704      -0.60640525      -0.90297669 
Hf       5.48240157       9.14919247       2.52717155      -0.81626987       3.69971839      -1.62482450 
Hf       5.07728803       8.94029639       7.82793304       0.76591646       4.03683424       2.45528508 
Hf       0.13767419       0.20478101       4.95311517      -1.66147916      -1.33313011      -0.40172587 
Hf       3.81040521       3.61053041       5.42296618      -2.00165530       1.88710894      -2.16331989 
Hf      10.80955816       7.16231770      10.49309878      -1.34448050      -1.83528414       1.75163647 
Hf       1.48509391       8.73020260       8.23770873       3.59067703      -0.03014824      -1.29531377 
Hf       7.43982748       3.49971989      10.32158020      -4.28594390      -2.31108340      -1.04805376 
Hf       8.91692472       5.41266992       2.42707730       3.32794976       1.28525293       2.49616713 
Hf       3.33884330       7.31627744       5.30233373       3.43035544       1.06308540      -0.21814750 
Hf       3.55862274      10.76025375      10.43213933      -1.47816721      -1.27340086       0.10914964 
Hf       7.28910974       0.25451182       4.79848054      -2.87025414      -5.89773001       4.95101973 
Hf       5.56506974       2.04523694       2.53097153      -0.97977285      -1.31168500       0.79461344 
Hf       5.37622742       1.82238280       7.48852845       5.42137806      -1.47688493       5.88966451 
Hf       1.46784456       8.99627892       2.42380070       1.20519832       1.84845811       0.17157660 
Hf       3.69221308       0.02135916       5.24516969      -2.03437518      -1.11279256      -1.67250318 
Hf       3.53540676       3.29947412      10.47177934       0.49650847       0.51963655       0.72323024 
Hf       6.97473915       0.12825433      10.40352543       0.69436703      -4.09194272       1.33692531 
Hf       9.05034031       1.58122273       2.32256671      -2.23063810       1.94388633      -1.93013144 
Hf       5.29652032       5.29071573       8.12182213      -1.56315333      -0.07020759       0.60078577 
Hf       8.94340088       1.56657324       7.45153368      -1.63150319      -0.86798129       0.83364496 
O      10.67626626       9.06263776       1.33300532       2.90777567       0.55338236       0.58072993 
O       5.83030881       7.61698984       3.52228022      -0.72998765      -3.51783216       1.89347519 
O      10.88852002       5.58645980       4.35879857       0.94064213      -1.15325771       1.23614186 
O       0.45316098       2.00385503       4.10539545      -0.76139639      -0.88324150      -0.32219041 
O       2.00540289      10.78373114       3.60728150      -0.95580713      -1.33583226       1.23792926 
O       1.69162875      10.80392721       1.14307508      -1.10076796      -0.30763343      -1.55901678 
O       1.93472859       3.20202795       1.48142485       0.75262391       2.25969837      -2.51295344 
O       0.05489197       1.78612042       9.73416724       0.24399168      -1.53583001      -1.92543578 
O       1.61827844      10.60686318       8.88125727      -0.94165942       0.12857705       0.80859267 
O       1.75087518       0.46183057       6.07413114       1.44047598      -1.84883112      -1.84803614 
O      10.72627886       1.67113741       6.47139607       1.48460886      -0.53650971       1.56105145 
O       2.14781238       3.84665565       4.16287559      -1.11913108       1.97062139       0.64286942 
O       1.73277751       6.83423656       1.20103034      -2.79138829       2.04536780      -0.06833663 
O       1.67493203       6.93471447       9.21541283      -0.35198309      -0.05834617       0.42924561 
O      10.77978819       2.06082382       1.69436177       0.71976915      -0.66205865       0.67660730 
O       3.42165236       5.04655535       7.19839810       1.20723948       1.17825843       0.00423125 
O       3.65620510       1.95286438       6.89554419      -4.73306183       1.21649924      -2.34050527 
O       5.04807330       3.34938221       9.03697254       0.80606276       0.24976659      -2.12390980 
O      10.85168058       5.32633489       1.81402092      -0.20095705      -0.80669173      -0.79158521 
O       1.77273788       7.24004724       6.44025193      -0.06629004      -0.04181791       1.79137560 
O       0.02318290       9.04298336       7.11534043      -2.39526693      -0.30049323      -3.23152010 
O       3.74879283       2.00843146       4.03293670       0.07422659      -1.31226894       0.42843750 
O       5.66625377       0.07599936       3.43494162      -0.70620044      -0.67512677      -1.53568619 
O       5.22127452      10.28164209       0.61830275       2.83080324       0.30265740       0.44987097 
O       3.74100333       1.20145030       1.49050584       1.65269991       0.99904611      -0.88204602 
O       2.96383553       1.49195127       9.47339195       1.86078678       2.51310830       1.42584380 
O       5.04347124      10.92570283       8.72249243       0.20820911       0.91586079       0.21851718 
O      10.77689372       8.90395303       9.55241676       1.36837009      -1.24168288      -0.62652821 
O       4.16288756       5.59296668       4.48778265      -0.96054688       1.08762993       1.45091943 
O       5.71991834       3.80113139       3.41711657       0.10105176      -0.32167536       1.35379091 
O       5.42528017       3.15947046       0.92340277      -1.10298901       1.72133633      -2.01870057 
O       8.91827504       7.65836988       6.00762591       0.64114419       0.88018727       2.89941097 
O       4.25089294       5.39785237       9.93976111      -1.08708729      -0.16984252      -0.74092898 
O       5.60945447       3.86909431       6.32904368      -0.29713229      -0.20008495       0.52493553 
O      10.58467202       4.92934784       9.74152718      -1.72810161       4.90784679      -2.51871294 
O       9.08988216       0.09654865       5.63439974       1.12073978       0.44772348       1.52981505 
O       1.57600307       3.53040184       7.00053288      -2.09370480      -3.27057354      -3.33365090 
O       7.10848616       1.51197927       1.26945410       0.60792420       0.04867405       0.59075490 
O       9.05345642       0.25555429       0.68300997      -0.03525334      -0.16812166      -1.68434197 
O       7.35504097       9.19621332       4.40515057       0.60394874       0.39916938      -1.07879397 
O       7.40866544       1.80760590       3.88376071       0.82029493       5.02630734      -3.03013182 
O       3.23497615       9.63402746       7.07925349       0.49697313      -0.71752497      -1.16729986 
O       9.18183455       7.16649347       8.92876146      -1.07287867      -1.21685820      -0.27876746 
O       6.98722866       1.57909825       9.20206610       0.96733893       2.02679256      -1.18334760 
O       7.83612835       9.26954325       9.65592929      -1.45154031      -1.23178035      -0.09613785 
O       5.76856649       7.30057344       8.75709737       1.58675393      -1.72024036       2.09031395 
O       9.04783051       7.32496577       3.78422172      -0.36415233      -3.01299775      -1.60540330 
O       5.18301594       7.58333838       6.53324208      -0.50457811      -3.74346626      -4.85115956 
O       7.30201733       8.89955135       1.64898402      -0.36767205       0.50437176       0.00282733 
O       9.18097911       7.44291861       1.06518364      -1.13936842      -3.33413469      -1.28320055 
O       7.33578032       5.29587896       9.35539219      -0.94505309       0.39649021       0.42837837 
O       3.66619489       8.78754148       9.51242004      -1.26989578      -0.68764638       0.74401548 
O       9.41579128      10.78139861       8.41240698       0.92964018       1.86946332       0.73822042 
O       7.52523016       5.52294820       6.59513475      -0.14612262      -0.35824273       0.41312430 
O       5.36667039       0.67881503       5.85055512       0.42350406      -2.09447438      -0.75672206 
O      10.65742950       5.87495582       7.04838953       0.20967074      -1.44351029       0.08553963 
O      10.94814641       9.07236264       4.06751901       0.43992122       0.48555161       0.71325650 
O       1.79028041       7.32708159       3.99863193       0.28921365      -0.07704606      -2.10115526 
O       4.01990946       9.20102935       4.50667963      -0.53649320      -1.58181212      -0.02684471 
O       3.61337941       5.61284283       1.99446266      -1.33230315      -0.26961619      -0.36716018 
O       5.31767121       7.20108529       0.85355239       2.26271384       0.39922887       0.74280349 
O       9.42583760      10.88728397       3.11573595       0.50522876      -0.40755787       2.30722919 
O       8.80209488       3.29170719       8.82114804       0.01157718       0.05044522      -0.23854739 
O       7.29772729       5.57397883       1.48844211      -2.78006321       0.64161098      -1.86120711 
O       8.78656848       3.55203654       0.94905161       3.00939462       0.37998564       1.66273217 
O       8.95971250       3.74614323       3.66552863       0.38040190       0.46006027       0.71739862 
O       6.91391155       5.61874461       4.19616998       2.22027682      -1.28799548      -0.22570890 
O       3.38272263       8.80290650       1.72273216       0.09791523      -0.34970410       0.09667211 
O       9.11824834       3.25075509       6.43388410      -0.02585997       4.88301099      -2.94174762 
O       7.03009774       1.88448130       6.50054143       5.25384496       0.43913361      -0.23393105 
O       1.76658729       3.98311800       9.47954199       1.97051740      -1.67674004       2.77769835 
O       6.93309715       9.58960625       6.99536932       1.02807108      -0.96369284       1.02506250 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.019287856531428924 -0.002121235621515318 0.005331569971190033 -0.002121235621515318 -0.029134406421866575 0.00718664307699777 0.005331569971190033 0.00718664307699777 -0.005072041923781391" pbc="T T T" energy=-1060.40757361 free_energy=-1060.40757888 config_type=crystal 
Hf       1.62996520       1.51040424       2.61445541      -1.24037118      -0.81591779      -0.13569757 
Hf       3.63794791       7.27712343       0.12673924       0.36146316      -0.60061257      -1.40522282 
Hf       5.54948998       4.98191539       2.41201006      -2.44787694       2.19765722      -0.48553559 
Hf       9.13504608       5.26698404       7.51179289      -1.35868198       1.29283215       0.36313726 
Hf      10.72937591       7.18203565       5.46983518       2.22883603      -0.43449886      -4.46792340 
Hf      10.89586525       0.16199772      10.24251000      -1.62217391       1.44010544       1.49440387 
Hf       7.03764664       3.76239010       5.20430129       2.37210085      -5.86376855       4.20877678 
Hf       7.14504371       6.97884601       4.89682590       0.14526554       1.54587642       1.00489167 
Hf       1.62536599       5.23466702       2.39044711       1.76780151       0.49115737      -1.19102760 
Hf      10.83118311       3.46206510       4.93841834       2.17386915      -1.26918623       0.51232263 
Hf       0.06426899       3.80380411      10.50366188      -0.01143594      -3.54262607      -1.33477354 
Hf       1.61656613       5.57579731       8.11849440       2.92656777      -4.01483459      -0.47953870 
Hf       8.97444832       9.11117536       8.03109373       0.23156928       2.33347196       0.03170251 
Hf       1.47993538       1.80014585       7.71451406       0.55965856       0.30443480       0.16302648 
Hf       6.98992241       7.48766883      10.31615888      -0.66081964      -3.13033484       2.73113663 
Hf       9.18246540       8.86478106       2.25189863       0.76061797       2.53439234       4.37788282 
Hf       5.23396869       8.84386551       2.87722236       1.35644606       2.10531265      -2.14203319 
Hf       5.62004640       9.21035937       7.94913691      -2.55005653      -0.97876494       0.78954564 
Hf      10.66923963      10.68436504       5.06158039       1.63598103       0.56633791      -1.41037243 
Hf       3.84892596       3.39116193       5.17542942      -4.68950642      -0.41207793       0.91666153 
Hf      10.70656606       7.37856449      10.32238258       2.47964711      -1.62976243       0.78759250 
Hf       1.69805642       9.02628652       7.68166992       0.72741734       1.11746802       1.24311870 
Hf       7.36274205       3.61649124      10.53483322      -1.06372133      -0.87398523      -1.88986473 
Hf       9.29799368       5.42216636       2.64213407       0.24812916      -4.78567002      -0.67823116 
Hf       3.60529114       7.10210495       5.29139649      -0.35227919      -0.33749734      -0.98387609 
Hf       3.50078394       0.06674373       0.07442351       3.17324346       0.27480375      -0.91547098 
Hf       7.35281712      10.62536950       5.13146182       0.33346600       0.59400584       1.50231346 
Hf       5.24602171       1.72546745       2.75087682      -1.58762782      -3.83540493      -2.39961647 
Hf       5.41528654       1.85418073       8.01935814       0.42174813      -1.59877385       0.29219399 
Hf       1.78781728       8.93637008       2.68589526      -0.53346829      -0.62579385       0.10717088 
Hf       3.87929007       0.01564144       5.70142281      -0.47235922      -1.42273856      -1.40780188 
Hf       3.64619876       3.62095855      10.44240418      -0.97281505       0.63001559      -2.22414574 
Hf       7.28361760      10.92566700       0.45054173      -6.26410439       2.20326916      -5.20962477 
Hf       8.93285496       1.65284473       2.54329468       2.43240363      -0.18055559      -2.32526267 
Hf       5.33065889       5.58516173       8.02671320      -1.90057026       0.47901940       1.65759694 
Hf       8.92530233       1.96710072       7.66614531      -1.60397700      -1.66826694       0.28683221 
O       0.27020498       8.66265382       1.42055193      -2.66338473      -0.03192084       0.24849292 
O       5.27316038       7.02846792       3.64801353       0.97074747      -1.21669297      -0.06602620 
O      10.83932156       5.30576620       4.12516762      -0.18411711       2.47886523      -0.63194874 
O       0.11304565       1.60171023       4.09269730      -0.87943508      -0.99655476       0.43096096 
O       1.31520360      10.40501498       3.80855586       2.28446131       3.71838291      -1.47748152 
O       1.88383336      10.85830283       1.18692884      -0.33296449      -0.86731416      -0.11787712 
O       1.82723489       3.64945017       0.68103107      -1.11869297       0.62803962       2.16462755 
O       0.06279552       1.94178513       9.35335451      -0.72015062       2.40046999      -0.04430958 
O       1.40262952       0.08608042       8.91542111       2.20683680      -2.53702747      -1.18995637 
O       1.33944977       0.16523248       6.24845896       1.32247209      -1.59528005       1.24325497 
O      10.69238045       2.07241823       6.78551023       0.26211541       0.72438993      -0.78751680 
O       1.60294431       3.58912315       3.41311327       0.43134280      -1.52237104      -0.91925572 
O       1.75196487       6.85486331       0.27559371      -1.76135049      -0.37912929      -0.16853611 
O       1.04738560       7.29990556       8.35743857      -0.81135655       2.74978950       2.19089815 
O      10.89334779       1.43067918       1.23905452       1.98459683       1.25132964       2.62976278 
O       3.34469742       5.60763194       6.91214371       0.47152283       0.67940466      -1.53332884 
O       3.67941308       1.50906487       7.00416162      -2.07084862      -1.43875638      -1.98038473 
O       5.22056073       3.54466513       8.99713048       0.52569672       2.56289312      -0.45311487 
O      10.88250288       5.61857282       1.37794292      -1.74060291      -1.08626113      -0.46907278 
O       1.77811969       7.90774685       5.90073697      -0.73501175      -1.51149703      -0.32403918 
O      10.33971689       8.33440011       6.88385091       2.19445588       4.70417075       1.41798194 
O       3.52450707       1.47420759       4.17196243       0.85187168       0.54903526       1.09010754 
O       5.62910986      10.82438316       3.92552864       0.19878753       1.51593418       0.82623069 
O       5.12429573       0.14631179       1.35619025      -1.39067751      -1.11170850      -1.07880237 
O       3.47425409       1.84365432       1.69448305      -0.78831500       0.57493044      -0.55819796 
O       3.70844637       1.58735239       9.33068115      -0.63233820       0.24200985       2.86302269 
O       5.25635727      10.38699214       9.38995749      -1.82617981       1.56487846       0.08567577 
O      10.35970831       9.18135402       9.72614149      -0.09299174       0.32140368      -1.65843269 
O       3.94210367       5.12367321       4.24129593      -0.88610920       1.20459932       0.10968598 
O       5.53008614       3.48068932       3.79406640       0.21779598      -1.03723630      -1.02592334 
O       5.17341016       3.49761152       1.03103702       3.86295492      -0.62533002       1.62339367 
O       8.84663431       6.92138244       5.94046147      -2.22328472      -2.35388228       0.30371591 
O       3.74524922       5.55848519       9.30875448      -2.39614829      -1.68074035       0.95675265 
O       5.39890294       3.08718902       6.37087464      -0.03728391       2.13883575      -0.99779085 
O      10.73474489       5.42459125       9.38877522      -0.34975256      -1.07587915      -0.42344047 
O       9.05897331      10.70080825       6.31492518       1.34312825      -0.08604847      -1.17592346 
O       1.93307281       3.22653948       5.80744092      -0.36953551      -0.02618728       1.62191522 
O       6.92547495       1.66187072       1.64358927       3.11873837       0.95049250      -0.60225035 
O       9.03052693       0.02699427       0.93247707       3.60747950      -1.16670029       0.37915858 
O       7.28736401       8.78922191       4.02174437      -0.57326082       0.32328393       1.44390721 
O       7.90204414       2.20090318       4.00826913      -3.19537288      -0.43417264       2.25620985 
O       3.49329255       9.06503472       6.94212547       3.58767278       2.52811664      -1.27277583 
O       9.14434674       7.06038604       8.46308870      -1.69965016       1.01886215       2.54982615 
O       6.88514876       1.64548547       9.26147701       2.26249901       0.10102951       2.58911769 
O       7.18848852       9.21800973       9.62787692       2.61719164       1.11910009      -2.46323414 
O       5.13127163       7.38189073       9.16924035       4.01563553       0.95036002      -2.02110928 
O       8.87231671       7.00921680       3.43585050      -0.11646469       4.19865862      -0.00383950 
O       5.41803606       7.23315438       6.15080843       0.62779008      -0.02727395       1.27920148 
O       7.03310888       9.65724048       1.73795863       1.02333861      -3.57249430       2.20249508 
O       8.88391002       7.65991545       0.84048382      -1.21233115      -2.81452622      -3.03265147 
O       6.89333695       5.61310019       9.61561732       0.13396048      -1.37774158       0.69459485 
O       3.15496054       8.56585953       9.32911964      -2.39397653       2.47479036       0.21495942 
O       9.28954912       0.31167519       8.75582274      -0.30146052      -1.82578011       0.50310124 
O       6.96647131       5.19465867       6.98339840       1.73280285      -0.33186406      -2.60134675 
O       5.87783615      10.82615091       6.65534346      -4.73357841       1.04622264      -1.31433225 
O       0.09325649       5.54149835       6.70143803       0.08773820      -1.60714981       0.56923069 
O      10.79901586       8.80616273       4.13576654      -2.08905257      -1.66929424       0.09211849 
O       1.93539427       6.96718882       3.21202885       0.66749559       0.22686678       1.47286186 
O       3.71630182       9.13563880       4.14899837      -0.57344286      -0.39269121       1.71111606 
O       3.72842924       5.29653752       1.04847677       0.32515846       1.35529733       3.93953973 
O       5.65666574       7.55827280       1.16763636       0.63003372      -1.35692276      -0.63036437 
O       9.13682895      10.68952324       3.40067138      -0.59869027       0.73401891       1.71260505 
O       8.39865388       3.72098387       8.65114059       1.28301810      -0.01016285       0.29465978 
O       7.40656704       4.79716020       1.69213967       0.45593570       0.33439848      -1.45764557 
O       9.18894248       2.99681309       0.47419764      -1.55903504       1.64334989       0.40019241 
O       9.70437462       3.40591210       3.20744382       0.13093376       1.91437522      -1.30838024 
O       7.51979511       5.15051519       4.04584743      -0.97288045       2.12945800      -0.80701263 
O       3.49896973       8.61260922       1.68547242       0.67330923       1.07306178      -0.61366243 
O       9.01903869       3.69718075       5.98565035      -0.11117514       1.52998129       0.44004722 
O       7.39592559       1.64635111       6.40630100       0.23677937       0.99815714       0.73937031 
O       1.71931642       3.56565430       8.91014158       0.33989933       1.74389452      -1.34347819 
O       7.33076281       9.23239332       6.88574075       0.50819910      -2.75713080      -0.00712216 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.034624032188349356 0.0007937532001715251 -0.001113698019828202 0.0007937532001715251 -0.029385948589420337 0.002566595534234374 -0.001113698019828202 0.002566595534234374 -0.016423434200944248" pbc="T T T" energy=-1056.52296346 free_energy=-1056.52297741 config_type=crystal 
Hf       1.63235000       1.51213551       2.62477787      -0.26313991      -0.86503056      -0.29269627 
Hf       3.62560499       7.26438226       0.08303577      -1.79441821      -0.14226792      -1.39811981 
Hf       5.50966854       4.98536247       2.38689086      -1.95090319       3.54133397       0.72281199 
Hf       9.11912131       5.28493644       7.48795300      -0.37545519      -0.05592955       2.04600276 
Hf      10.76769276       7.18949965       5.44505983       1.20361458      -1.36437587      -0.06001989 
Hf      10.87720138       0.21102297      10.25970315      -0.79383022      -0.07579192      -1.11611547 
Hf       7.05584346       3.74846711       5.14433789       2.58128539      -5.21807997       4.43869416 
Hf       7.14480618       6.95272175       4.91894134      -1.63692333       5.29332779       1.27735887 
Hf       1.59987893       5.22597957       2.39533093       2.38236831       3.24411205      -1.70902523 
Hf      10.82376908       3.45848238       4.97607009       2.36155072      -0.48700948      -0.86415929 
Hf       0.10730295       3.84154709      10.52657385      -0.91699370      -1.78893976      -2.12896189 
Hf       1.62159734       5.58562670       8.12634211       3.46229299      -2.36884971       1.23869188 
Hf       8.98006152       9.12322368       8.01468106       0.12265969       2.46429071      -0.20675853 
Hf       1.47531447       1.81621797       7.66099917      -0.35699920      -0.18043929       1.54045429 
Hf       6.96569716       7.51106646      10.30897675       2.29108310      -0.78111046       0.58667709 
Hf       9.17903957       8.85304773       2.27265537      -2.43456530       0.85088766       2.63669851 
Hf       5.21860224       8.79003134       2.89088903       1.55122687       1.80517041      -1.64883610 
Hf       5.59826620       9.19128553       7.99689715      -2.78770899      -0.10902660      -0.03811885 
Hf      10.65055450      10.67502692       5.08595152       0.05001018      -1.29707532      -1.22651388 
Hf       3.86042022       3.38255752       5.12869349      -5.77615398       0.10342435       0.05935560 
Hf      10.70240695       7.39216133      10.32144181       1.46790356      -1.26671793      -0.52568244 
Hf       1.70935435       8.98877767       7.68385152      -0.52482845       2.78922163       1.47267589 
Hf       7.32108986       3.61107142      10.55382246       1.87388273      -1.54738839      -2.66376311 
Hf       9.32588689       5.39713135       2.63955633      -1.57219527      -0.96501006      -2.75488315 
Hf       3.58335821       7.09690951       5.32198165      -0.40193521      -0.95518420      -2.29468646 
Hf       3.52612506       0.07348430       0.06056840       1.37178299      -0.55598531      -1.20961554 
Hf       7.33526145      10.64693825       5.14606851       0.03348686       0.88930353       1.41963237 
Hf       5.22859225       1.75790346       2.71001725      -0.99440435      -5.34990489      -2.84199478 
Hf       5.40941347       1.87541028       7.99762332       2.46304052      -4.64617321      -0.04610975 
Hf       1.77249970       8.96480540       2.68728702      -2.06487676      -2.35687745      -1.12484295 
Hf       3.89673761       0.04323906       5.72613725      -0.43981930      -3.29982463      -2.58836688 
Hf       3.65934673       3.57060598      10.50098656      -2.99434555       0.72934329      -1.67386001 
Hf       7.28979241      10.88545552       0.45552578      -4.44249882       1.81070673      -5.30328641 
Hf       8.99373351       1.70665534       2.54432336       1.04620462      -2.50267470      -4.01235407 
Hf       5.35751632       5.61317064       8.02543889      -1.12578545       0.70557453       0.74220740 
Hf       8.96658607       1.92808761       7.69981299      -6.49106563      -1.92906664       5.38144230 
O      10.89040051       8.72905441       1.51224884       3.14871950       0.02882921      -0.72616995 
O       5.15504769       6.98791078       3.75030649       1.98226501      -0.70707490      -2.30692214 
O      10.72349264       5.44938589       3.96632274       1.47060337      -0.78797396       3.15082324 
O       0.19314639       1.55852255       4.18783323      -1.71167135       0.47863488       0.05174743 
O       1.55619911      10.46507292       3.75127373      -0.78840324       3.89034932       0.68949950 
O       1.82362686      10.71646766       1.07012060       1.38793811      -0.68820211       0.45638662 
O       1.81809999       3.67215331       0.85832768      -0.21163824      -0.07064464      -0.37125368 
O       0.07505134       2.11479998       9.40565163      -0.16957374      -1.81470621      -0.65451278 
O       1.57011652      10.87944166       9.00049445      -0.06675533       0.70990531      -1.27754218 
O       1.15495051       0.01427523       6.27891286       2.22608397       0.31006760       2.49058503 
O      10.54760513       2.13219515       6.92991647       9.09367996       0.45302471      -3.48562026 
O       1.70050903       3.65562596       3.36843182      -0.96717771      -3.92586822       1.32863731 
O       1.64337798       6.77676993       0.29560843       0.26151810       0.78694298      -0.44202292 
O       1.06342004       7.35474363       8.44092458      -0.67538810       0.77280744       2.16685417 
O       0.11740132       1.35505846       1.24683049       0.37255236       2.34971514       3.33832870 
O       3.33381263       5.67211370       6.85488455       0.82044569      -0.21848752      -2.01882058 
O       3.70224418       1.56295141       6.93197052      -3.54746072      -0.82349463      -0.72336425 
O       5.32120594       3.45331137       8.88880907      -0.59388676       6.26573837       2.73676573 
O      10.87458344       5.48830193       1.33827581      -2.25486124      -0.67008854      -0.54475722 
O       1.93892178       7.89961257       5.95600160      -3.88142986      -1.78515312      -0.77398461 
O      10.45349408       8.45381142       6.93365819       2.16089388       2.06853654      -1.04686967 
O       3.46109988       1.43767437       4.11872028       1.68401304       1.49808478       0.66685009 
O       5.59272203      10.78774334       3.85433305       0.87997353       2.68991446       1.37554362 
O       5.17046946       0.10538105       1.41395706      -2.15024726      -0.36323736      -1.34498338 
O       3.41040669       1.96725081       1.62630311       0.48480203      -0.78875364      -0.70086065 
O       3.66677490       1.62098972       9.35624326      -0.03451889       0.45896189       2.30420640 
O       5.40840343      10.34911254       9.48676036      -2.94203602       2.20849037       0.80622951 
O      10.19938565       9.17734566       9.60506219       2.21147613      -0.79024654       1.37144119 
O       3.81285924       5.06391743       4.07728674      -0.08032040       0.30363253       0.43138586 
O       5.55942970       3.47837464       3.76830447       0.44839670      -0.74835140      -0.55308806 
O       5.18331121       3.48874822       1.13942636       2.55583824      -0.21639198      -0.16800297 
O       8.77173811       6.97314385       5.90119890       1.19835572      -1.95929973       1.09444136 
O       3.73847238       5.50620852       9.10065747      -2.32828346      -1.68719114       4.12602441 
O       5.34931039       3.03843329       6.32254097       1.93684376       2.22473431      -1.70135478 
O      10.75502785       5.36435758       9.19547485      -0.53097421      -0.62603592       1.48568293 
O       9.01290958      10.85537155       6.45364628       2.83344733      -2.35886578      -3.33141857 
O       1.88126846       3.15289412       5.73352781      -0.76412525      -0.17201196       2.35247055 
O       7.02512623       1.66003570       1.50113176       1.17396114       2.02766677       1.24399642 
O       9.08472396       0.03252267       0.91432412       2.59221484      -0.42033608       0.42759220 
O       7.22803091       8.87799224       4.17568205      -0.79863458      -1.23246732       0.78161479 
O       7.93866348       2.09342526       4.04626196      -3.42349036       0.18020658       2.19545180 
O       3.43622341       9.16901198       6.81668243       4.90101949       3.16013688      -0.20747944 
O       9.06663221       6.95566497       8.40516799      -1.08595600       2.18349315       1.97365060 
O       7.00785760       1.67605502       9.21664016       0.78195855       0.06264424       2.03167378 
O       7.34473707       9.31707673       9.50645685       1.44541944      -2.27073151      -0.03979116 
O       5.11273704       7.38022005       9.15699734       3.12276890       1.49437077      -1.86769612 
O       8.87216705       7.09764126       3.35278710      -1.01691351       2.44352284      -0.20116867 
O       5.35866988       7.23887954       6.06045980       2.39399357      -0.13166291       3.33758576 
O       7.14822193       9.60299031       1.75998160       0.19674549      -3.88044532       1.65698684 
O       8.94348031       7.51811731       0.72658154      -2.54732242      -1.28384433      -0.86924474 
O       6.97128374       5.68688874       9.53690118      -1.29237032      -1.29718039       0.99885226 
O       3.05263391       8.71830569       9.31449052      -0.05021057       0.47146563       1.67288181 
O       9.36174139       0.19515879       8.75146432       0.14262959       0.48150829       0.66915076 
O       6.93183074       5.08178623       6.97071769       2.26455503      -0.57406276      -3.37768336 
O       5.71198291      10.84908730       6.62174466      -2.41883541       0.28722209      -0.86637064 
O       0.31039148       5.60263118       6.75129771      -3.03194272      -1.96382450      -3.01132288 
O      10.83778794       8.56650768       4.21221498      -0.71996372       4.62106705      -2.09957992 
O       1.72429012       7.01455873       3.25848789       1.05100494      -0.09047468       1.17703116 
O       3.79136587       9.15705887       4.11135130      -1.70055430      -0.25795352       1.88885574 
O       3.52460590       5.36746492       1.18333284       2.54392695       0.15961306       1.33107407 
O       5.61698409       7.51933496       1.03489057      -0.63369071      -1.03157568       1.54042365 
O       9.06689253      10.66580985       3.45616794       0.41266207       0.68247294       1.64519634 
O       8.50493814       3.84898742       8.82748824       0.68770578      -0.33275963      -1.60441640 
O       7.47093507       4.78725017       1.67106204      -1.61847999       0.34426321      -0.59651682 
O       9.21310878       3.02152982       0.42445795      -1.44952568       0.78628868       1.38406599 
O       9.65071662       3.43971004       3.03881845       1.61409080       1.34398258       1.52899684 
O       7.48480132       5.29241610       4.09859278      -0.51448706      -2.54972450      -1.65250108 
O       3.39282187       8.40454590       1.76797642       2.36197577       0.77049858      -1.72289986 
O       9.07379404       3.44711181       6.03769312      -1.53396143       4.13246020      -1.41559414 
O       7.53428880       1.48899534       6.52460474      -3.55932645       2.15942045      -0.93348747 
O       1.70063688       3.65766181       8.96641543       1.61334456       0.36188826      -1.34831045 
O       7.24933683       9.17914836       7.01241430       0.52838417      -1.38876709      -1.82095543 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.011032447328543618 0.0025710770189263767 0.008178052488031912 0.0025710770189263767 -0.014615695458286893 -0.005728482410021197 0.008178052488031912 -0.005728482410021197 0.021597947942045018" pbc="T T T" energy=-1064.50703523 free_energy=-1064.50703871 config_type=crystal 
Hf       1.71276791       1.84776052       2.42192840      -0.11087752      -2.32103025      -0.62771037 
Hf       3.60381274       7.24076398      10.20878036      -0.74982089      -1.57106388       3.51895901 
Hf       5.39615769       5.56940153       2.61813741       1.25892435      -3.77229539       0.96666235 
Hf       9.02671852       5.43765957       8.00110485      -0.36353764      -1.48633985       0.62495787 
Hf      10.92596566       7.22390412       4.96731307      -0.94739648      -0.79350262      -0.31219830 
Hf      10.85809992      10.83696284       0.15914270      -0.03372425       1.46494033      -2.31391842 
Hf       7.28267791       3.50584627       5.46714605      -0.19021859      -0.09778020      -3.97854960 
Hf       7.43515596       7.19609374       5.24619379      -0.48534653       0.94186113      -1.06646897 
Hf       1.74747915       5.15624036       2.82058308      -1.11314563       1.44113466      -2.18167577 
Hf      10.67736011       3.44668014       5.30885770       1.44216037      -0.71695987      -0.53852457 
Hf      10.38896630       3.67462301      10.52058845       0.53441077      -3.90257517       2.33524522 
Hf       1.54892981       5.55961234       7.73853422       2.91859706      -0.71931115      -0.54210889 
Hf       9.24657147       9.02289991       7.81303926      -1.64715114      -0.19861750      -0.33977504 
Hf       1.97419067       1.85468745       8.21862574      -0.89194144      -3.92000747      -1.02168869 
Hf       7.20551009       7.12419564      10.42812816       0.04588640       0.40274638       0.18193452 
Hf       9.02814477       9.20254369       2.67920335      -0.72591134      -0.85941581      -0.86513800 
Hf       5.63578097       8.73662183       2.26624533       0.18705328       5.06113117      -0.60901398 
Hf       5.30696227       8.85794561       7.76784348       3.67148745       1.52587949       0.76847868 
Hf       0.30301678       0.04183877       5.62281997      -1.73740852       0.55425013      -2.73344363 
Hf       3.37129212       3.39902647       5.07678358       1.56220238      -1.26484206       2.50685048 
Hf       0.04933147       7.19340064      10.54364902      -0.25226432      -0.93512827       1.27833028 
Hf       2.01409626       9.02020320       7.81115506      -1.96806076       1.16529455       0.02183280 
Hf       6.92666225       3.56304535      10.55000113       1.44226977      -1.52756539      -0.00136059 
Hf       8.97167360       5.46570529       2.41514434      -0.35499916      -1.84694678       0.90156104 
Hf       3.53785948       7.11414099       5.17291683       0.39858417       0.26609758      -0.49041186 
Hf       3.24643810      10.81415486       0.09857143       3.52533651      -1.63610737       0.10974856 
Hf       7.01515419       0.14508593       5.21759009       1.64885672       0.40318408       0.01575994 
Hf       5.50943320       1.82452065       2.52356694      -0.10751262      -0.24184374       2.01585426 
Hf       5.26890616       1.72896187       8.03357007       0.92166121      -0.11484746      -0.51861733 
Hf       1.51826605       9.26415443       2.63162869       3.69515290      -1.08527515       1.03565656 
Hf       3.73360365      10.68486113       4.88930376       0.55931560       1.47345685      -1.47923386 
Hf       3.52418387       3.84905776       0.08572448       0.17215929      -1.80906610      -0.15182128 
Hf       7.33980775      10.58284740      10.21280524      -1.17482782       1.11149567       1.05342961 
Hf       8.90725123       1.80087804       2.58954157       0.29466864       0.59853254       2.40951204 
Hf       5.48583398       5.36406143       7.67158661      -0.03325131      -0.63912759      -1.23032691 
Hf       9.23319058       1.64847526       7.71931869      -0.27313794      -1.04276830       2.02179496 
O      10.83126956       9.01773690       1.57107419       1.27304266      -0.64787637      -1.20804381 
O       4.91620897       7.29891832       3.38126049      -0.21046487      -2.81657849       1.59695086 
O      10.77287966       5.07488483       4.32711564       1.37005557       4.91120109      -2.53926219 
O      10.45364023       1.89103233       4.23790060       1.38925901      -3.65784223      -1.33004091 
O       1.81272268       0.09674290       3.59470718      -0.37928526      -1.32461969       2.12336471 
O       1.64050784       0.28882295       1.19692840      -4.11654184      -4.07274339      -1.74302180 
O       1.94155768       3.31768869       1.19045672      -0.31850759       1.20045900      -1.06518371 
O      10.85458020       1.76033788       9.24990904      -0.64506879      -0.32103370       1.22232968 
O       1.66080273      10.68984359       9.41654487       0.00300044      -0.39821197      -2.34779626 
O       2.21839246      10.80758016       6.24595520      -1.14944201      -0.35287394       1.01881052 
O       0.34141262       1.71733832       6.79401949      -0.43553263      -0.73926928       0.11229528 
O       1.74498217       3.18510181       3.76694205       0.18929375       2.85610393       1.12105999 
O       1.85740979       6.59772467       1.07723097      -0.86497703       1.90986381      -2.24975165 
O       1.75366447       7.36667975       9.02431128      -1.87301179      -1.18016098       0.13068470 
O      10.55883437       1.78041179       1.36708062       1.80895840       0.98559542       0.15857794 
O       3.55524084       6.00796747       6.97727270      -1.20604619      -1.30624338       0.59423318 
O       3.59437403       2.06198778       6.94461053      -1.11569658       1.31415130       0.22805626 
O       5.25306456       3.64575482       9.34722657       0.02841763      -0.07631186      -2.67586495 
O       0.03078165       5.12101254       1.44549351      -2.07892622      -0.93085125       1.79194347 
O       1.47748759       7.29216657       6.44672266       0.75917652       0.64045359      -0.58809099 
O       0.07503545       9.51004290       6.98705861       1.19612870       0.54084577       0.62552236 
O       3.96978707       1.85512656       4.03509907      -1.24039305      -1.91122536       0.90872876 
O       5.41056856      10.71073405       3.37391298       0.30008053      -0.37885425       1.28222638 
O       5.64440455      10.14052367       0.51841279      -0.99041712       0.11852826       1.23125834 
O       3.60805950       1.02445984       1.64144795       2.17153728       2.53507403       1.03256140 
O       3.63098121       1.53442790       9.59579796      -0.15200020       1.02511046      -0.92421857 
O       5.62484677      10.93296775       8.83486285       0.20699284      -1.92657053      -1.40620748 
O      10.49135199       8.98954196       9.60437492       0.92177149       0.19478018       1.13052461 
O       3.29563152       5.19463270       4.34813120       0.23628509       2.70660492       0.12664483 
O       5.71042694       3.59274542       3.75398455      -1.43076755       1.84736077      -0.95687281 
O       5.24960366       3.39270398       1.16517479      -0.07692186      -0.29154948      -0.48529534 
O       9.29418625       7.86169319       6.01346782      -1.01170995      -1.39328158      -0.05584359 
O       3.30184259       5.32282995       9.48151676       0.05216870       1.80937834       0.20478859 
O       5.48914696       3.80060014       6.37888221      -1.41012198       0.30661717       0.58775858 
O      10.50191532       5.38798890       9.64191740       2.44754509       1.27610301      -2.66710776 
O       8.94640446       0.47626258       5.98189002       1.67578073      -1.42366819       0.66373014 
O       1.59925608       3.89326116       6.02902092       1.49976620       0.80530241       2.91936691 
O       7.28548823       1.61096641       1.62342382      -3.33546624      -0.95947054      -1.22151464 
O       9.14380485      10.76144719       1.05864479      -1.57857464      -0.55661597      -1.17834997 
O       7.13056612       8.53042925       3.63294809       0.92626183      -0.63589051       1.84288166 
O       7.12363020       1.79749833       4.07199488      -0.37720969      -0.68053775       2.01292520 
O       3.63542080       8.85769439       6.66602327       0.90902725      -0.84357762      -0.18550368 
O       9.15083740       7.24638780       8.67805651      -0.14297929      -1.22342228      -0.05294576 
O       7.37517985       1.69078996       9.80566108      -1.48499343      -0.09051049      -1.10629033 
O       7.26710242       8.77850376       9.13189833      -0.64663960       0.22606840       0.35872963 
O       5.34691212       6.92698479       8.88657623      -1.88187036       4.19399911       0.78197482 
O       9.52973696       7.24587637       3.30893642      -0.28068786      -1.43337647       0.23265745 
O       5.56315924       6.94081981       6.05986936      -0.55937888       1.12399311       0.41515732 
O       7.60141797       8.67623433       1.26343851      -0.65461190      -0.72571005      -1.23543794 
O       8.98582547       6.46130155       0.58739819       0.76865937       1.27658898       0.29524851 
O       7.12871017       5.53827783       8.98953702       1.44608055      -1.78849200       1.46107912 
O       3.55465305       8.92857752       9.31279329       1.38061351       2.43254424      -2.31058587 
O       8.89877851      10.80595813       8.56869962      -0.62244985       0.09060944       1.41011365 
O       7.54046744       5.50274522       6.51242093       0.99425207      -0.82773814       1.34161813 
O       5.09753121       0.20686834       6.33690904       1.08860808      -1.09375400      -1.42359373 
O      10.76828450       5.50791317       6.86923721      -1.64360091       0.00389848       0.49533597 
O      10.61500020       9.31375465       4.30677248       2.15242334       0.16104511      -0.67132708 
O       1.64312040       7.25156747       3.68228525      -0.51107199      -0.18286367       0.11927555 
O       3.55977247       8.88544145       4.04615557      -1.87774877       1.86059298       1.32575572 
O       3.56339748       5.11334214       1.96271883       0.70715701      -0.58772693      -1.82622142 
O       5.28312968       7.29602385       0.88038360      -0.27391148      -0.67909763      -1.39894788 
O       8.40832277      10.80605903       3.38504580      -0.45206063       1.58923938       2.10054588 
O       8.88059736       3.45703258       9.29117241      -0.29923934       1.90521577      -2.13810668 
O       6.83953082       5.48968709       1.22018624       0.83065926      -0.32364992       0.18240987 
O       8.50264538       3.51710290       1.22974288       3.35792962       2.18949927       0.04970751 
O       8.80598108       3.64187958       3.92645687       0.25138057       0.19802115      -1.02425889 
O       7.23587004       5.50444669       4.07101403       0.06710001       2.55763470      -1.41137408 
O       3.21471916       9.01196046       1.30283628      -1.39605560       0.26908303       0.29687320 
O       9.21168691       3.18233290       6.53082239      -2.06485285       3.29189960       0.38959764 
O       7.13528366       1.86974110       6.75126221      -1.22025892      -0.54730596       1.44601939 
O       1.82777031       3.40731260       9.10621081      -0.57516371       4.67625039       1.18569551 
O       7.10925166       9.21146933       6.54563602      -1.00374416      -0.53523047       0.05652338 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01171811489835965 0.003022195759904575 0.014571652005721242 0.003022195759904575 -0.016018711349804263 -0.012943870576294456 0.014571652005721242 -0.012943870576294456 0.00027640028212300323" pbc="T T T" energy=-1057.26571441 free_energy=-1057.26572675 config_type=crystal 
Hf       1.71924685       1.76747834       2.34043554      -1.52023786       0.55430588       0.81831692 
Hf       3.59147968       7.29691895      10.24050697      -2.27297449       2.10337481       3.74687169 
Hf       5.38135910       5.48314636       2.69783046       1.28006063      -1.04972571       0.25482796 
Hf       9.04221962       5.49615924       7.98961427       0.38038093      -1.53465050       1.91900722 
Hf      10.94477667       7.09487541       4.95491190      -1.71823092       3.45983320       1.53328939 
Hf      10.82705150      10.88481142       0.15808288      -3.76161090      -1.30327773      -6.49285611 
Hf       7.21148308       3.37094241       5.47996770      -1.75837171       2.07606105      -0.43495312 
Hf       7.38312339       7.17478475       5.27417347      -0.52660164       2.65546828       1.41510286 
Hf       1.71851412       5.27379780       2.85023289       0.77136895       0.66782412      -3.63082300 
Hf      10.68728504       3.52532812       5.22734613       0.93878447      -1.13493724      -0.65559860 
Hf      10.42667927       3.64633933      10.56228517       0.02541820      -0.78662734       0.49142058 
Hf       1.56965034       5.71434689       7.71126775      -1.52976330      -4.50621267       1.89078771 
Hf       9.19575886       9.13370813       7.90571564      -0.25188635      -2.70333392      -0.32369136 
Hf       1.89171785       1.87229407       8.10676083       0.11990082       1.49644067       0.95031238 
Hf       7.24122676       7.16659503      10.46425698       0.95124304      -3.30371969      -1.75884786 
Hf       9.03424167       9.16565188       2.55012754      -0.50205874      -1.16054727       1.52901448 
Hf       5.73148634       8.78561125       2.18507379      -1.71591011       1.23074254       2.14383752 
Hf       5.36046283       8.83212013       7.80901597       1.39960500       2.72599604      -2.55526825 
Hf       0.31456977      10.91997284       5.59810723      -0.78990449       0.37290809      -3.29076108 
Hf       3.34442538       3.37136673       5.01989728       1.32001135       3.21086283       5.47527613 
Hf       0.08549197       7.07984992      10.57782190      -2.61195948       1.98767793      -0.79631658 
Hf       1.94780096       8.90656078       7.83056701      -0.37790230       2.47623510      -0.65799112 
Hf       6.95165398       3.56589654      10.49124869       0.76804991      -0.97654791       0.71947132 
Hf       9.08368260       5.43671703       2.42272590      -4.40174781      -0.07083599       2.13397956 
Hf       3.53186742       7.00492885       5.08774538       0.89249199       3.17731584       3.44176597 
Hf       3.23344209      10.81283521       0.08802970       1.92097326      -2.56552772      -0.32013198 
Hf       7.04552258       0.18991119       5.22745497       3.91801818      -3.55198590      -1.78361904 
Hf       5.43992943       1.78177636       2.60644200      -0.51923061       0.90513639       1.58545104 
Hf       5.16095637       1.67629999       8.12438882       2.28398126       0.00217860      -1.77874357 
Hf       1.52084651       9.23195562       2.61923039       3.05901026      -2.16915472       0.53547108 
Hf       3.64685886      10.63753274       4.90732065       3.09187071       6.12171341       1.72466391 
Hf       3.52857942       3.87733333       0.12135406      -0.88399065       1.43077988      -2.07739611 
Hf       7.31656394      10.58297077      10.27657680      -1.73684805       1.41216451      -0.43487294 
Hf       8.94011167       1.84385525       2.63625741      -1.01289058      -1.48738297       0.73261019 
Hf       5.46777422       5.48457130       7.71424749      -0.22161925      -1.31290197      -0.73196743 
Hf       9.34740491       1.66479247       7.62777653      -2.77007201       0.08162632       0.74063733 
O       0.03428855       8.84061826       1.47805099      -2.51343203       0.93848209       0.31441595 
O       4.95026208       7.13594683       3.68243820       2.58301476       2.08923412      -2.44386951 
O      10.84177724       5.36479658       4.05209229       1.51749018      -1.87486816       1.94116948 
O      10.57850116       1.53450229       4.18630350       0.14329908       0.97234369      -0.24549154 
O       1.88993136       0.04497317       3.48612227       0.10444570       0.29792392       2.19724118 
O       1.42172342      10.91876560       1.06454282       4.73208816       1.07510889       4.04495588 
O       1.87339372       3.60461110       1.27201824       0.05935589      -1.37716907      -0.33465601 
O      10.41703415       1.47449277       9.40424371       1.68172230       1.40231765      -0.46662574 
O       1.65265957      10.53801753       9.33024270      -0.27591540       3.39909142      -1.37108027 
O       2.23839023       0.08158155       6.25530446      -1.06247146      -1.10454620       0.97796882 
O       0.57755923       1.81479917       6.56983156      -4.53548524      -0.25965340       1.32028968 
O       1.78775516       3.23695272       3.81714515      -1.55564773       0.78087392      -1.54883688 
O       1.59688378       6.97983588       1.10840477       1.98129675      -1.58551680       0.61084641 
O       1.60430472       7.27574616       8.90878659       0.25492918       1.14530983       1.31828789 
O      10.76368594       1.89623775       1.33132105       0.07197597      -0.21240340       0.60656980 
O       3.16347707       5.89754852       6.88065296       4.88695029      -0.43078597      -1.47630001 
O       3.51751605       2.20589594       7.06065497       0.41791900      -0.53088575      -0.86773010 
O       5.25232229       3.86224440       9.13754850       1.10569694      -1.80076522       0.09469939 
O      10.82958124       5.08786265       1.79260838       3.33803387      -1.88199775      -2.63749366 
O       1.56588816       7.57568769       6.15607499      -0.52044822      -1.22723322       0.82263493 
O       0.14319207       9.37997403       6.79573831      -1.22760910       1.08747559       3.05751696 
O       4.09275710       1.91461742       4.17981216      -0.60549852      -2.03391621       0.88761520 
O       5.51399660      10.86659849       3.55216004      -0.12232651      -1.49367110      -0.45256756 
O       5.45718470      10.37631289       0.52468602      -0.13060392      -0.91740983       0.95926161 
O       3.56464690       1.12234173       1.92647192      -0.11271803       0.64119083      -3.12972727 
O       3.49006470       1.82493862       9.44848937       1.29294480      -2.12609382       2.55904475 
O       5.80216339      10.60999834       8.52079068      -1.12486489       3.36548645       1.73625171 
O      10.73177045       9.00908352       9.60143537      -1.48123967       0.92378107      -0.48238121 
O       3.75051697       5.26246228       4.21679619      -2.28587376      -3.82438554       0.39266255 
O       5.98505672       3.88593467       3.73576645      -0.69361369      -1.78145665      -0.17668392 
O       5.23997871       3.45580474       1.06036328      -0.01237906      -1.02208319       0.27203943 
O       9.28168425       7.70450538       5.93011085      -0.58388768      -0.31870412       1.37890488 
O       3.37013243       5.53457788       9.45314551       0.53200379      -1.07418418       0.84239041 
O       5.28970175       3.78385509       6.40500872       1.32357812       0.87373366      -0.00379502 
O      10.80300297       5.34870671       9.55961929       0.92726715      -2.18355167      -0.03825463 
O       8.90835329       0.32647083       6.07605339       3.52717372      -0.10333579       0.81051718 
O       1.61280712       3.84762252       6.23961255      -0.37866304       1.20812706      -0.71302182 
O       6.91516535       1.48596601       1.56756343       3.69916675      -0.39702652      -0.01473634 
O       9.04495182      10.63998557       0.93828337      -1.02849126      -0.15710565      -0.25085983 
O       7.32045672       8.53339953       3.66092649      -2.09361313       0.87549465      -0.58585193 
O       7.29668921       1.76320375       4.16243087      -0.43517339       3.01364203       0.25279789 
O       3.64813173       8.75206979       6.68821269       0.37850172       0.90591765       0.89090664 
O       9.32006816       7.06508791       9.11472665      -1.58640608       2.53847571      -2.93337560 
O       7.28283699       1.64524455       9.93848659      -1.77956464       0.84259967      -1.78340789 
O       7.37887597       8.81169694       9.13226068       0.68686108      -0.38384834       1.34381638 
O       5.15674050       7.44870995       9.10371065       1.91297742      -3.15935438      -1.30001940 
O       9.28302987       7.19784648       3.34506992       3.04505626       1.88863242      -0.28803231 
O       5.35993727       6.88641725       6.23585871       1.97484624       0.02535688       0.80836058 
O       7.44323940       8.56108151       1.11988802       0.74588481       3.15393392       2.15689244 
O       9.17876808       6.46976451       0.68229602      -1.27250469       0.98195185       0.33661367 
O       7.14929573       5.70516904       8.97813710      -1.24567155      -0.93472202       1.17336213 
O       3.48406585       9.22305365       9.36560007       0.94753342      -1.38407509      -1.16934652 
O       8.67861693      10.91029321       8.49154615       0.05415933      -0.68834017       1.37337042 
O       7.62590715       5.39174232       6.64488920      -2.72196629       0.88487215      -1.53293071 
O       5.52335028       0.14721566       6.18596650      -6.81313279       0.32535633       1.65728727 
O      10.72416753       5.67331940       6.90047073      -0.42289221       0.02667653      -2.31258929 
O      10.86685311       9.34738267       4.30199932       0.66796446      -1.16078952      -2.42562445 
O       2.07525440       7.18732247       3.79536941      -4.33936454      -0.88013552      -3.04665197 
O       3.61356489       9.05590300       4.19406586      -1.05184078      -4.75910282      -2.70720288 
O       3.61118788       5.27394888       1.74872081      -1.02979138      -0.20236037      -1.04179894 
O       5.20024316       7.23189553       0.84523711       1.11803423       1.17325926       1.41527187 
O       8.33915272      10.77950793       3.35586760       1.40311349       0.25046078      -0.06411322 
O       8.79856990       3.53285061       9.24993210       1.11472963       1.61475308      -0.14378674 
O       6.89961462       5.52972788       1.34420382       1.27602782      -0.41366681      -1.27767329 
O       8.61996683       3.47788787       1.43581134       0.33285352       0.62730875      -4.20561640 
O       9.09086108       3.55873658       3.64786079       0.70086879       0.76904637       3.14039757 
O       7.46741404       5.87566467       3.99879774      -0.62191002      -3.34331661      -2.02738076 
O       3.14912197       9.00650360       1.26278196       0.20330588       1.19611724       0.69817206 
O       9.01634231       3.56079148       6.58480538       3.16551594      -1.98873726      -1.45967323 
O       7.16568821       1.85405989       6.97272147      -0.39297434       1.11275070      -0.18284033 
O       1.74031842       3.68879306       9.10578033      -0.92961872      -1.85922541      -0.69863455 
O       7.04085423       8.95787178       6.65019966       0.86357555      -0.09079826      -0.60502095 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009435797348266987 -0.0033333264077548075 -0.009714263875744604 -0.0033333264077548075 -0.017064061948643808 0.00021699725578719418 -0.009714263875744604 0.00021699725578719418 0.008328541988920777" pbc="T T T" energy=-1061.02295231 free_energy=-1061.02295505 config_type=crystal 
Hf       1.74263068       2.11817267       3.00601342      -1.11613903      -2.23699664      -0.86371793 
Hf       3.72808281       7.29813803      10.17621076      -1.03672132      -0.41029201       0.73009308 
Hf       5.31196675       5.08328293       2.67879073      -1.61820637      -0.46637310       0.51750448 
Hf       8.91562632       5.64791814       7.48882425       2.57078882       1.46664643       7.89145875 
Hf      10.77521910       7.12984204       4.87182564       1.41785546       0.80515817       2.01079721 
Hf      10.92731445      10.65061443      10.37079651      -2.42712489       2.98555002       0.76388755 
Hf       7.40564739       3.00194071       5.54814891      -3.73250411       1.99613145       0.30325982 
Hf       7.36907780       6.91703894       4.88509818      -3.47136567       0.07794504       1.34082533 
Hf       2.17063055       5.52329046       2.30288095      -0.89007866       0.83130928       0.24482355 
Hf      10.81931612       3.63915898       5.25152626       0.73485007       1.25159592      -0.48781231 
Hf      10.69435231       4.05675328      10.41534764      -0.98188890      -3.42555680      -2.90772930 
Hf       1.61776669       5.55025581       7.69494692       0.41134512       0.28643398       0.88624834 
Hf       9.07150336       9.04120487       7.69724693       0.84066590       1.76774637      -0.17307888 
Hf       1.64979633       1.61497071       8.12659210       0.25406045       1.24044991      -2.44701903 
Hf       7.20835788       7.18001011      10.32007630      -2.28995012      -0.10791960      -0.35271568 
Hf       9.18630624       9.13555696       2.69676012      -3.14972323       0.88091346      -0.09855852 
Hf       5.24790373       8.98838961       2.51344973       2.22542356      -3.37969745      -0.00214832 
Hf       5.36202165       9.36431309       8.14008169      -2.66129177      -0.50995104      -2.09937716 
Hf      10.82780899       0.00867682       5.13860280      -0.43789339      -1.93177478       1.31861138 
Hf       3.42111399       3.51364267       5.54227501       0.39644520       0.45500621      -4.53242641 
Hf      10.75744003       7.34007486       0.02957232       0.65716875      -1.80566697      -1.98715544 
Hf       1.90088934       9.13404832       7.67725038       0.34545091       2.28803661       0.67901462 
Hf       7.11498077       3.40923231       0.07269460      -2.17269395       1.30064052      -1.57733659 
Hf       9.10835704       5.46441401       2.41943973       0.80206089      -1.17256086      -0.07711204 
Hf       3.59271584       7.05698496       5.17408836       2.14879457       0.09631150      -0.78939677 
Hf       3.45197507      10.81091648       0.34291854      -0.49457654      -1.28469928      -3.07875462 
Hf       7.07950261      10.55780122       5.12444902       1.71740590      -0.43609317       2.15398843 
Hf       5.16194350       1.53573385       2.58219300      -0.14194690       2.76077572       1.41022064 
Hf       5.29114706       1.78615175       7.84264687      -0.61829930       2.43616734      -2.86820427 
Hf       1.62942705       9.09402254       2.60440750      -0.43182842       2.53846985       1.29472974 
Hf       3.75310314      10.63561490       5.06618583      -4.96843854      -1.16921545       2.42991416 
Hf       3.55806574       3.62545960      10.31881666      -0.93040690      -0.86164734       0.92451911 
Hf       7.35155631       0.03280226       0.17266098       2.00542727      -1.81134975      -1.27396648 
Hf       9.04924679       1.88075024       2.59720795       2.90276581      -2.15618308      -1.23912832 
Hf       5.49172732       5.18756619       7.87412274      -1.79112972       1.80318792      -1.25648592 
Hf       9.18300487       1.78850422       8.12569438      -0.21085336      -0.42350684      -0.46217726 
O      10.69104601       8.49446815       1.71108448       1.16848238      -0.11741805      -1.17795344 
O       5.23473210       7.13939972       3.54561364       0.28645570      -1.23760572      -0.60962882 
O      10.67359683       5.40156536       3.93537163       0.18776928       1.24744625       0.60821650 
O      10.81786752       1.74500572       4.18409171      -0.05351229       2.43001419      -0.11313484 
O       1.63618087      10.82199311       3.99043388      -0.37674747      -0.80919056      -1.41203332 
O       1.42816697      10.42333319       1.03264721       1.05136762      -0.63202440      -0.34288766 
O       2.21241366       3.54415907       1.70517508       1.62009794       1.07358684      -1.62493410 
O      10.80686463       1.91336658       9.51794882      -1.10404266      -1.34488531      -1.24358999 
O       1.37958040      10.90368072       9.01289074       0.87190663      -1.99165310       0.28028640 
O       2.42428035       0.03210963       6.72795686      -0.92715233       1.77823403       0.59897164 
O      10.89259182       1.08440680       6.75189028       1.84348321       2.54149015       3.34816792 
O       1.61713409       3.99507757       4.28002375       0.69047569      -3.16811386      -1.22635338 
O       1.86872110       7.17210097       0.59876771      -0.78305626      -0.45701742       0.69530719 
O       2.02857626       7.48758666       8.68578517      -0.59276913      -4.09949441      -0.41248610 
O       0.15222989       1.76350362       1.64158783      -0.68107411       1.66679051       1.64634300 
O       3.48322629       5.20286679       6.55984508      -0.53901454       2.01420316       1.02534834 
O       3.51024696       2.48436963       7.09639063      -0.30910826      -2.39980357       3.59001413 
O       5.62047182       3.24462521       9.18629012      -2.44199072       3.13640464       0.53873050 
O       0.03533420       5.18644178       1.26966679       0.92250531       2.83665421       3.44957124 
O       1.67260892       7.08240376       6.00233756      -0.23256253      -0.43428352       0.07440454 
O       0.08439900       9.26889356       6.99350456      -1.68821074       0.12530481      -1.51736202 
O       3.35147360       1.43765246       4.49235259      -1.41129508       4.84589844      -1.80957783 
O       5.12806755      10.74681008       3.50584236       2.36475083      -0.62152482       1.08090114 
O       5.40723311      10.74829035       1.02707984       1.12483150       0.95882211      -0.40806844 
O       3.31738083       1.08761899       1.73764625      -0.27964314       2.81959679       3.44398755 
O       3.19856848       1.71141112       9.83903497      -0.53593730       1.50129655      -0.54446624 
O       5.12259415       0.37557946       8.95552060      -0.16665069      -5.33633165       2.22401129 
O      10.68913485       8.92480701       9.51377822       2.52732812      -1.49203499       0.91415252 
O       3.56166216       5.26646550       3.92184633       0.14807007       1.25606897      -0.11878309 
O       4.95466004       3.19595657       3.96064601      -0.01658817       1.17800319      -1.66490656 
O       5.17594790       3.05901271       1.21710383      -0.93187743       2.18064187      -1.31421076 
O       9.18563059       7.68842625       6.10888808      -0.37897848      -2.39229110      -0.99763359 
O       3.43224452       5.37040178       9.04910533       1.90056500      -1.24463501       1.37013090 
O       5.71318073       3.55960374       6.57637796      -0.50189083       2.62188500      -0.55077406 
O      10.68423894       5.73800779       9.39898757       2.03843643       0.73463572      -0.98958644 
O       8.90346045      10.92127989       6.40837578      -1.53599949      -0.94696291      -0.50422954 
O       1.37251586       3.57997117       6.72384832      -1.10549184       0.16025638      -0.00174444 
O       7.24334335       1.89164905       1.31109353       0.93884065      -2.48664944       3.03859756 
O       9.31989440       0.13428682       1.23648050      -1.43523321      -0.06339679      -0.04607104 
O       6.98339910       8.69420348       4.12505166       0.44215004       3.83246179      -1.49930489 
O       6.91724009       1.76942358       4.14424529       2.10129393      -2.26776169      -1.47773583 
O       3.62543035       9.00431459       6.69895914       2.53936284      -2.23679261      -0.52933925 
O       9.04524632       7.35597804       8.92065929      -2.71568434       0.80747228      -1.02743269 
O       7.54675027       1.78337627       9.47090774       1.39011871      -1.13516545       0.86883445 
O       6.72635633       9.33897241       9.38236700       2.51648119      -0.57938518       2.28631312 
O       5.26332759       7.22275472       8.84227573       0.43017289       0.30678632      -0.87711533 
O       8.96903518       7.15629519       3.57668529       0.56030219       0.91742252      -0.80359830 
O       5.66653260       6.66880994       6.11133795      -0.60735755      -1.03315707       0.22577873 
O       7.60722552       9.19342260       1.41616353      -0.65562670       0.07520493      -0.24751808 
O       8.77853302       6.68124960       0.79427764       0.71942624       0.90611199       0.33419886 
O       7.24728017       5.62118802       8.62923358      -1.69345251      -0.20842120       1.10970378 
O       3.46148761       9.21254466       9.31873819       2.00310851       0.96398262       1.72540900 
O       9.05401495      10.37340889       9.34649986      -1.92895922       3.17314384      -0.73954793 
O       7.99639645       5.17627077       6.02145382      -3.02173337      -1.40001697      -4.52152334 
O       5.22608573       0.34332806       6.04591561       3.75998853      -0.84137403       2.18914606 
O      10.59909767       5.59898021       6.59582404       3.89437251      -1.16691706      -1.57134946 
O      10.84791512       9.08304167       4.04920758      -0.11631599      -1.37703494       1.07290544 
O       1.86001557       7.32145919       3.27858967      -0.82860405      -3.10528301       1.51272211 
O       3.56117615       8.88307364       4.24581336       0.11503704      -1.76307729      -1.10125623 
O       3.95080646       5.86495518       1.43800028      -2.30631541      -0.82726279      -1.98895978 
O       5.39223884       7.85723498       0.75582745       0.15747312       0.52199821      -0.74475526 
O       9.00731533      10.78075210       3.85830989      -1.08421310       1.48795547      -0.13021169 
O       9.24073346       3.92166163       8.86122298      -0.94280574      -1.87273437      -1.87121758 
O       6.28587857       5.43142046       0.54462273       1.34826762      -0.84176635      -0.09115928 
O       8.76770728       4.04920240       0.83817626       0.85611302      -0.66352430       0.90387133 
O       9.35276678       3.71937224       3.31575843      -1.36751999      -3.45339578       1.30698077 
O       7.06564941       5.17756764       3.45287008       3.14021636       1.09129473       0.58136380 
O       3.47030434       9.32039344       1.86808310      -0.83841599       0.00789267      -2.17365905 
O       9.16252197       2.87755505       6.24645359       2.00740597       0.14828625       0.96514561 
O       7.02781396       1.67424782       7.03930067       3.82211525      -0.24906288      -1.27800198 
O       1.46783930       3.85050921       9.43796560       2.81685171      -0.24124420      -0.52659607 
O       7.22114748       8.96133453       6.48701922      -1.88021530       1.54939100       2.33723626 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.001658582733951725 -0.004212118409660918 0.006531320569872593 -0.004212118409660918 -0.015347987369658167 -0.008444723368416288 0.006531320569872593 -0.008444723368416288 0.01598802640573396" pbc="T T T" energy=-1063.25362536 free_energy=-1063.25362792 config_type=crystal 
Hf       1.70906610       2.14607717       3.05477258       0.77925472      -3.23729580      -2.45647509 
Hf       3.75654529       7.33934705      10.17873377      -2.26869892      -1.58366828       3.07814362 
Hf       5.24991766       5.09909386       2.73314584       1.70916794       1.21804770      -1.41261241 
Hf       8.88275657       5.61967456       7.56400732       1.37418892      -0.69114177       0.43549513 
Hf      10.83371121       7.13878892       4.88778827       1.44597181      -1.94376718       1.52484604 
Hf      10.90486714      10.59789350      10.25886495      -0.09722027       4.66026314       0.95143254 
Hf       7.34787695       2.94850808       5.50145890       0.12413776       0.92907579      -2.17127066 
Hf       7.35676775       6.93090441       4.90298934      -2.27696518       0.27441707      -0.31161180 
Hf       2.20591106       5.46440645       2.40108632      -3.83255694       2.59547356      -0.07984710 
Hf      10.84731308       3.65917472       5.25355395      -1.51280575       0.98846735      -0.02467517 
Hf      10.64500287       4.15056469      10.39025820       2.64551093      -1.42083877      -1.83047053 
Hf       1.69408070       5.56995108       7.70433223      -1.94734410      -0.29837302       0.95150809 
Hf       9.16327246       9.06668885       7.73111252      -2.36405090      -0.07893087      -1.94649359 
Hf       1.67660676       1.71552324       8.04272568      -2.77178375      -0.56021418       0.14368984 
Hf       7.26124534       7.23160290      10.33802868      -2.62237048       0.24924238      -0.03137808 
Hf       9.15414502       9.13990769       2.65477323      -4.08893679       0.62067180       1.43752206 
Hf       5.24185405       8.90905119       2.50542908       1.08280754      -2.28690196      -0.20935843 
Hf       5.32934866       9.29520220       8.11943496       1.68313713       2.20569084      -0.55790105 
Hf      10.82196703      10.93356156       5.16995676      -1.34093161      -0.07816155       2.15339789 
Hf       3.55124552       3.58796313       5.49711525      -0.77404510       0.26717352      -1.88278119 
Hf      10.69818911       7.34490196       0.03696235       3.89560441      -5.32095562       2.72935925 
Hf       1.92642438       9.15226015       7.61809925       0.09064444      -1.27239328      -0.71592255 
Hf       7.03351239       3.37619044       0.10909616      -2.12531747       2.22098063      -1.79643496 
Hf       9.12447891       5.30646432       2.40261742       0.15162833      -0.03456818       2.55804252 
Hf       3.54601030       7.02743598       5.18987912       0.16779794      -0.15447638       1.03930256 
Hf       3.52663100      10.91461130       0.23246643      -1.05662733       0.32652592      -0.11626474 
Hf       7.00928386      10.61714768       5.22924745       1.69340780      -0.91858646      -0.60239172 
Hf       5.11264600       1.54464262       2.59606193      -0.01395091       1.55509916       2.10121706 
Hf       5.33759864       1.80281539       7.86795728       1.05918909      -0.90092505       1.51120326 
Hf       1.58200860       9.11596489       2.59495534       1.37788515      -2.36197914      -0.66164690 
Hf       3.69931323      10.68068098       5.02553288      -1.32662019      -0.26523949       0.76737092 
Hf       3.53677714       3.61784288      10.48604590      -1.28809244       0.39344772      -0.91294546 
Hf       7.36454760       0.04185400       0.20571622       1.79090369      -2.90401065      -3.12144037 
Hf       9.02855321       1.86572397       2.49369467       3.06863924      -3.63254791       0.10478920 
Hf       5.42335728       5.18344498       7.78049486      -2.14352426       3.40242220       2.64243630 
Hf       9.24403023       1.80382312       8.17175536      -0.86042048      -1.01483918      -1.90749106 
O      10.66742762       8.67526768       1.59706018      -0.09992691      -0.17069839      -0.00249826 
O       5.55943989       6.96462117       3.50951426      -0.11516912       2.17700503       0.06658846 
O      10.69416781       5.28203331       3.97450123      -1.28065140       0.73257314       1.06575675 
O       0.00624930       1.68568698       4.16731883      -0.54943681      -0.36016995       2.29140722 
O       1.75878837      10.76470473       3.69899223       0.17500102       0.72539991       2.17219674 
O       1.30425538      10.30971487       1.03407245       1.05839103       1.53921903      -1.81855899 
O       2.56362818       3.65286691       1.73580658       0.45251558      -1.12970104      -0.84670246 
O      10.88989303       1.81931907       9.37365866      -0.34712658      -0.14486734       1.89102037 
O       1.49964161      10.59641082       8.81727101      -0.96265826       1.51289065       2.79051404 
O       2.07851776       0.10147535       6.64354995       1.75701451      -0.43375303      -3.14416251 
O      10.74525586       1.23490488       7.03815497       2.45458665      -1.60133699      -2.03022917 
O       1.61932036       3.63721517       4.24557803       2.42676213       2.21606385       0.75661675 
O       1.85273892       7.14818216       0.90242038      -2.51890139       0.50918627      -1.78364327 
O       2.15737423       7.30159355       8.64850279      -0.33310655       1.38309300      -0.46941028 
O       0.29021896       2.05701540       1.80632723      -3.62526647       0.78248100      -2.02474233 
O       3.30985044       5.33482119       6.60054353       1.82239603      -1.48029554       0.53934049 
O       3.39240335       2.31454385       7.28005751       3.49131809       0.94351164      -1.83027753 
O       5.44252513       3.50953756       9.32859351      -0.79578173      -2.11127497      -1.28038470 
O       0.11742728       5.17843667       1.65316589      -0.62425671      -0.27015280      -3.11374664 
O       1.63785835       6.87508447       5.99133835       1.32805621       1.90455545       0.34515337 
O       0.11429551       9.12313833       6.67775726       0.40804904       1.04912394       1.05467788 
O       3.49475145       1.87268750       4.30599327       0.77635211      -2.83913460       1.75300300 
O       5.44054845      10.68378974       3.75282875      -4.24331912      -0.07974921      -1.51335017 
O       5.53020753      10.91202053       1.07734651      -1.41345510       0.84078450       0.80735103 
O       3.15115563       1.11389762       1.99537877       3.34802818      -0.41264343      -1.57476961 
O       2.96428615       1.81345454       9.75714862       0.98899388      -1.32449521       1.32115980 
O       4.85885705       0.15750795       9.05851083       1.57864192       2.12996993      -0.92386597 
O      10.69824180       8.81944699       9.65688537      -0.36803230       1.82954281      -4.69651968 
O       3.58312803       5.44074807       4.04945364      -0.07967163      -2.25601369      -0.60909785 
O       5.05114186       3.52242839       3.88376666       0.60528324      -0.99949660       0.83759263 
O       5.12767719       3.35207990       1.20010392       1.15661507      -1.69146520       1.16131444 
O       9.31038437       7.60225106       6.16502344      -1.61436675      -2.32529917      -0.28998877 
O       3.65807649       5.29191464       9.25718129       0.73362387       0.57453465      -0.07303977 
O       5.68190398       3.66107734       6.66376673      -0.68504119      -3.39159542      -1.84285221 
O      10.80428887       5.86600280       9.23428930       0.22566508      -1.55901997       0.97313874 
O       8.69237449      10.78611002       6.12529341       5.32571218      -0.52299746       1.45934816 
O       1.27463704       3.57631416       6.69452812       1.31766891      -1.13350490       1.57070565 
O       7.38649017       1.76536679       1.31532408      -1.96344655       1.18149785       1.29945557 
O       9.25422501       0.29006558       1.02876869       0.57012478      -1.76867402      -0.43815885 
O       7.03153111       8.98018061       3.99907282       0.94128461      -1.83808905      -0.79164677 
O       6.79080577       1.49523160       4.00775416       1.17909816       2.60477743       0.91706310 
O       3.83259220       8.74947015       6.63294454      -0.98660439       0.88673171       1.41034987 
O       8.70419700       7.18981156       8.82739991       0.89588080       2.49119783      -1.15072137 
O       7.48183816       1.80632284       9.34092676      -1.17510052      -0.57040009       1.81639257 
O       6.99698706       9.19710426       9.36117766      -0.13022170       1.30036895      -0.78866644 
O       5.19760441       7.57011120       8.82485703       0.38718366      -4.19148730      -0.99262312 
O       9.04251849       7.16191923       3.59035662      -0.45551664       0.47441262      -1.32554783 
O       5.55829817       6.18780451       6.05286889       0.37672844       2.34436299      -0.79290279 
O       7.52360561       9.03098380       1.05216078       2.01054510       0.77697780       2.59644040 
O       8.95768213       6.71102889       0.69993198      -0.57766480      -0.64253115       1.96709159 
O       7.06929414       5.51446233       8.73934311       0.69157186      -0.25202061      -1.20701970 
O       3.64252511       9.32630278       9.73680897      -0.81993482      -2.09327221      -1.87285065 
O       9.14426730      10.68004619       9.01139481       0.11025170       0.88307719      -0.13615956 
O       7.84434196       5.01246302       5.78287209       1.15188746       1.79257605       2.05825935 
O       5.36190770       0.00022153       6.34893075      -3.08306337      -0.01374872       0.71419312 
O      10.83189098       5.61488656       6.63957587      -2.21085980      -1.49652697       0.00865873 
O      10.91331794       8.98511453       4.04983575      -1.19809999       1.86682709      -0.04328000 
O       1.77890392       7.08901363       3.49561099      -1.19253591       2.10956337       1.17182346 
O       3.59060188       8.76866889       4.27316252       0.58735536       2.44230248      -2.13431289 
O       3.76054566       6.09784688       1.52717844       3.10379520      -1.62169944      -1.09095085 
O       5.37229191       7.84874945       0.66991940       1.10468331       0.26084095       0.97233393 
O       8.75518293      10.90301876       3.74436828       2.52095241       0.19093870      -2.30556736 
O       9.22945371       3.75706220       8.59329002       0.43121277       1.96990341       1.11700786 
O       6.59215672       5.34778378       0.50228562       0.13636465       0.36143300       1.23784536 
O       8.86830232       3.97503094       0.81066543       0.27888589      -1.33717334       0.63645793 
O       9.13166385       3.32419776       3.64652281      -0.81024421       2.37403533       0.30855042 
O       7.20160121       5.13529424       3.40351145       1.18077586       0.64079974      -1.04937944 
O       3.44509667       9.24620675       1.64698810       0.79485341       0.70835942       1.00119306 
O       9.19634019       2.85190410       6.13817150      -0.54383995      -0.12249223       0.95714209 
O       7.13118437       1.44824472       6.84986553      -0.84300187       2.09917634       0.23867055 
O       1.58772829       3.79962122       9.61367307      -0.97100540       1.28925006      -0.19875407 
O       7.36381761       8.88410755       6.56227891      -2.74586035      -0.58233098       1.40594946 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0013921058708785273 -0.0015052864513749869 -0.0023614966233315793 -0.0015052864513749869 -0.025172907335186102 0.010806343960602125 -0.0023614966233315793 0.010806343960602125 -0.0004498043353298693" pbc="T T T" energy=-1058.79486856 free_energy=-1058.79488353 config_type=crystal 
Hf       1.67037762       1.51742221       2.68000563       0.68118521       2.71038421      -0.78504635 
Hf       3.55074406       7.22905650      10.57855870      -0.99444579      -0.82672610       1.66816627 
Hf       5.37380143       5.06954071       2.34896234       1.85738551       1.37178299       1.19364136 
Hf       9.07388925       5.33269484       7.46986478       0.17489476      -0.35819496       1.03545949 
Hf      10.89186248       7.18791136       5.38379428      -0.28812768      -0.31372221      -1.98665702 
Hf      10.83695408       0.33050439      10.28637705       2.98841352      -3.01096726       0.86501252 
Hf       7.15172862       3.61746851       5.06214596       0.93439765      -2.36093026       0.15745545 
Hf       7.11171555       6.97534118       5.00424544       0.79441414      -2.18174720       1.36802261 
Hf       1.57968987       5.25092572       2.39788497       3.08955347       0.91245669       1.44994559 
Hf      10.85831850       3.43833507       5.06587727       1.65816933       1.88487981      -0.86826602 
Hf       0.19547125       3.90122596      10.53218182      -3.03339569      -3.53436269      -4.19173359 
Hf       1.68232579       5.58156411       8.16180035      -0.13411677      -1.57941680      -1.38490735 
Hf       9.01378858       9.18490125       7.94733072       0.62653509      -1.16871879       0.11267548 
Hf       1.49269025       1.84241552       7.56078673       0.41840121      -1.28252626       3.01704016 
Hf       6.97008866       7.54562246      10.30341067       2.12264191      -3.53255093       1.86773970 
Hf       9.11116550       8.86227487       2.38465495       2.49100900       2.02596979       0.13125285 
Hf       5.19827875       8.68270812       2.90379486      -0.36884121       0.76034101      -1.85445270 
Hf       5.49356278       9.16606744       8.10300444       0.23839764       5.36994839      -3.39499780 
Hf      10.61939684      10.62568153       5.13071683       5.10963620       0.92091344      -1.81195345 
Hf       3.77187580       3.36168590       5.00048628      -2.59444898       2.73294366       2.29302092 
Hf      10.70146111       7.40239445      10.31331806      -1.39139394      -2.86167223       2.74513862 
Hf       1.74011015       8.96345956       7.70709385       0.84565444       4.35763336       1.98977742 
Hf       7.25870519       3.57739289      10.55550812       2.28268997       1.00021760      -0.99159531 
Hf       9.33552412       5.34732428       2.58242439      -6.45610459       0.94046138       1.71654141 
Hf       3.53901961       7.07364126       5.34174627       1.42568640      -0.47323896      -2.38322231 
Hf       3.59501003       0.06781008       0.00026796      -2.83759962      -1.62864348      -1.14300440 
Hf       7.28971834      10.73603891       5.20201191       0.15910969       2.90819394      -0.10416685 
Hf       5.16366480       1.74274846       2.56252255       1.74585083      -1.66060588      -0.59229379 
Hf       5.43738600       1.88119943       7.93687614       2.03244572       1.75380616      -0.42849862 
Hf       1.70253632       9.01625379       2.67763982       0.74016014       0.06275983      -1.26372505 
Hf       3.88967088       0.07552968       5.68747204       0.18013707      -0.39986387      -2.11831908 
Hf       3.63558185       3.45633314       0.00153908      -0.58280005       4.12297410      -1.00274899 
Hf       7.24234810      10.80510159       0.39728268      -0.94838811       1.81476343      -0.41998939 
Hf       9.15854023       1.80076234       2.48990575      -1.17911693      -2.02054171      -1.18641815 
Hf       5.41770190       5.68559878       8.02772380       0.47487412      -2.27406666      -0.51127892 
Hf       8.99615117       1.80238383       7.85919899      -1.87651983       3.40597719      -0.84613333 
O       0.13506765       8.78650614       1.36499287      -2.63817966      -1.85346491       1.33845741 
O       5.27483610       6.83006692       3.60712568       0.58242215       0.83014285       1.47803192 
O      10.70611029       5.58804864       4.14890218      -0.92936843      -1.70986554      -2.98503984 
O      10.93141704       1.55917071       4.35775193      -0.53365388      -1.61149265      -1.70315772 
O       1.97473968      10.90450472       3.63676624      -0.49958771      -3.61298150       1.66516054 
O       1.94315123      10.26330066       0.92769232       0.59941468       2.15419450       1.51642706 
O       1.77709081       3.73516082       1.00709626       0.91711951       0.38914974      -0.69525117 
O       0.05604794       2.05273676       9.42025163       0.15198070       1.14350884      -0.67759905 
O       1.80991148      10.82858917       8.99219384      -0.99254451       1.68508690       0.58968131 
O       1.15930684      10.75273903       6.73032468       1.94343407       2.78437742      -2.43621836 
O      10.84215467       2.40606118       6.74826154      -4.16017646      -2.16963595       3.06243192 
O       1.64011331       3.33108152       3.47698410      -0.94433787       2.01522234      -0.09791902 
O       1.57555059       6.66080406       0.38873048       0.59645575      -0.97576192       1.41256084 
O       1.06333491       7.42959557       8.86876841       2.16387096      -0.43940237      -3.69954411 
O       0.17386876       1.52484962       1.45393145      -0.77540726      -0.07622449      -0.25443121 
O       3.43481030       5.61202990       6.58957036      -0.41579556      -0.82228192       1.57870102 
O       3.34732544       1.72211437       6.85067238       4.41288669      -2.06133490      -0.15506305 
O       5.48563195       3.88360411       8.95955059      -0.69293660      -4.33956497      -0.63778202 
O      10.59740749       5.20369627       1.23724600       2.84604903       2.22823702      -0.11253486 
O       1.72678809       7.63574783       6.06357091       3.25090507       0.08250607       1.15561861 
O      10.89261264       8.96937043       6.81895789      -4.01787858      -2.55975632      -0.12363996 
O       3.74105428       1.74213054       4.04249494      -0.67039170      -2.38704094      -0.56860854 
O       5.70618346       0.19652544       3.91932821      -0.72748033      -1.29489629       1.01101568 
O       5.05825833      10.89661465       1.38250340       1.42260609      -0.14994364       1.52541510 
O       3.42408482       2.00086514       1.37716084      -0.64178519      -2.40305101       2.52658569 
O       3.69867395       1.86622488       9.65978316       1.37251093      -2.46447583      -3.06290648 
O       5.38982447      10.56326421       9.73231014       0.89404661      -0.63402472      -2.61338748 
O      10.30777741       9.07588017       9.66045608      -0.40350879       3.30367074      -1.69210879 
O       3.52024618       4.96410718       3.83727775      -0.00335597       1.03315790       1.76953585 
O       5.60655091       3.40853683       3.60905750      -1.31933111       0.57867263      -0.12815477 
O       5.47538776       3.36288230       1.10434608      -2.13070266      -0.00721936      -1.48459435 
O       8.95933660       6.78750275       5.98632338      -0.31268702       1.35627336      -1.37806210 
O       3.54061557       5.34958330       9.29041276       1.23928962       3.75585213       0.38592366 
O       5.48694305       3.17199240       6.11475688      -2.68609167      -0.88793899       1.47776651 
O      10.77824986       5.19672650       8.99831721       1.04133103       1.45959282       0.66413326 
O       9.25779732      10.82810809       6.28277182      -5.31014880       0.46874191       3.82364217 
O       1.76924927       3.04918419       5.94916833       2.27936150       1.94549905      -1.29104882 
O       7.40037142       1.79903053       1.39235776      -2.06565323      -2.40896813       1.01406549 
O       9.30878249      10.94817632       0.97508065      -2.79373455      -1.08122973       0.31894238 
O       6.86356927       8.84125656       4.61741606      -0.85504738       1.10508442      -2.52644676 
O       7.61464427       1.79491381       4.25598786       1.31573557       0.02117449      -0.94137247 
O       3.80814619       9.43559918       6.85485160      -1.82010330      -2.05376564       1.33457986 
O       8.73548207       7.13165635       8.53188299       1.15633267       0.64661389      -0.95560431 
O       7.31401952       1.73453343       9.40249567      -1.17953944      -0.87048271      -0.10858610 
O       7.64160348       9.27873007       9.51897378      -1.39118554       1.86758516       0.86348888 
O       5.41881569       7.51572200       8.88183421      -1.68455117      -2.20072889       2.41585589 
O       8.61774035       7.26072296       3.28482315       0.55178699      -0.50951254       0.47441638 
O       5.52896063       7.17048398       6.43829779      -1.56940293      -0.74764027      -1.65189995 
O       7.22714468       9.08271617       1.74358329      -1.10784839       1.62040863      -1.31210872 
O       8.67007168       6.99242487       0.40713524       2.65215076       0.98635280       2.30493072 
O       6.80293603       5.66153228       9.51078817       0.01898634       0.43204157       0.35330385 
O       3.08758135       8.94008209       9.65183096       1.95920376      -1.06547817      -0.83656389 
O       9.51607341       0.20592405       8.77699496      -0.96378038      -1.36612352      -0.41514083 
O       7.11932734       4.90834278       6.56123600      -0.76256118       3.72788204       2.72463801 
O       5.61701641       0.06157951       6.77331643      -2.85538334      -0.55423577      -0.81104243 
O       0.29572994       5.39771662       6.37420662      -0.05806816       0.23503706       2.83246752 
O      10.79456356       9.00320070       3.99645819       0.09877345      -1.33845175      -0.17421748 
O       1.49468479       7.09790694       3.52693327       1.47227326      -0.07694243      -0.25318316 
O       3.73129511       9.09067110       4.24409741       0.33973238      -0.43285931       0.45739713 
O       3.60851122       5.53738678       1.59727159      -0.90948722      -1.23634261      -2.20354470 
O       5.40897556       7.21391224       0.98387434       1.60383180       0.30242384      -0.63259372 
O       8.93941782      10.70330786       3.80698808      -0.57586969      -1.45228956      -1.98006849 
O       8.77793953       3.97878710       8.87337884      -1.61468966      -2.63651075      -0.88482485 
O       7.31915240       4.88343048       1.53050287       0.27816494       0.45759485      -0.42996882 
O       9.14996070       3.14831430       0.61647807       1.56724908      -0.04880948       0.21450651 
O       9.80002050       3.49959970       3.05977852      -0.01751207       0.58672933       2.06363732 
O       7.34150297       5.17816244       3.85766301       0.28523258       1.29510684       1.25952330 
O       3.44480130       8.14376549       1.76996957      -0.70507216       2.31429127       1.65837432 
O       9.00001513       3.55325923       5.94715859       0.69131164       0.81865875       0.04784207 
O       7.18775107       1.49221816       6.84178590       2.78815942       1.41615786       1.10711911 
O       1.94408819       3.78395216       8.95248666      -1.10667223      -1.89466818       0.06121850 
O       7.13427933       8.90803633       6.97194842       1.78839438       1.85535534       1.12811191 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006251455744622485 0.0032513709364944444 -0.00890362293070854 0.0032513709364944444 -0.01775676685744833 -0.007287850483156919 -0.00890362293070854 -0.007287850483156919 0.018396186305154702" pbc="T T T" energy=-1064.73648677 free_energy=-1064.73648762 config_type=crystal 
Hf       1.74845303       1.56388431       2.75048833      -0.87304823      -3.11421295       0.58531301 
Hf       3.45724698       7.17924187      10.52970303       1.05231644       2.21171125       4.18222418 
Hf       5.30595760       5.20933949       2.35591009       2.27491658       1.58350881      -0.44769970 
Hf       9.03161388       5.36664409       7.48524770       0.65626413       0.55482452      -0.45791502 
Hf       0.06333850       7.15399793       5.28707484       1.58439172      -2.30441713      -0.42978972 
Hf      10.86586039       0.35969446      10.32006046       0.93092032      -2.38061641      -1.16601285 
Hf       7.26302328       3.42396857       5.01934564      -1.64613346       0.92641067       2.11867031 
Hf       7.08451641       6.98241503       5.12669057       0.70959392       0.84463454      -0.06101537 
Hf       1.64117210       5.31715354       2.43279316       0.01883075       1.58864162       0.47773534 
Hf      10.94081860       3.45883790       5.14198538      -1.78433566       1.98392647       0.59134447 
Hf       0.19667554       3.86766028      10.43178231      -0.91899099      -0.65178052       0.57333754 
Hf       1.76805474       5.52460069       8.15150860       2.35571908      -1.36821735      -3.34831871 
Hf       9.06403980       9.23578431       7.87390283      -0.31305818      -0.03965279       1.72106084 
Hf       1.55424478       1.84069620       7.55451753       0.37450874       0.30955268       2.29418285 
Hf       7.05189787       7.48923839      10.35132503       1.74233283      -1.01340147       2.05088669 
Hf       9.05692410       8.93992224       2.50348504      -0.20767225      -0.94341885      -2.86807347 
Hf       5.18000798       8.61569487       2.86385980       2.04690747       1.39304837      -1.05149685 
Hf       5.40499415       9.25744246       8.13442281       0.82652397      -0.02139181      -1.50229378 
Hf      10.66501543      10.60687435       5.16818225      -0.33765628      -0.61557763      -0.19748900 
Hf       3.60232338       3.40958039       4.93846352       1.67328744       1.44950718       1.47152926 
Hf      10.67396320       7.35930549      10.35423706       0.91804196      -0.34409569       0.17504797 
Hf       1.78489707       9.06817087       7.77066526      -3.22609122       1.79469101       1.05030642 
Hf       7.26307280       3.56155271      10.51336254      -0.28089570       0.52575759      -1.41235159 
Hf       9.17234885       5.33220829       2.53785604      -1.15670400       0.73117583      -1.00535261 
Hf       3.54356755       7.02764611       5.28849573       0.02618991      -1.42513035       0.26187308 
Hf       3.60887156       0.01246431      10.53586413       0.06759914      -0.58274341      -0.67585829 
Hf       7.24378783      10.88245018       5.25811688      -2.05789157      -2.34332868      -1.13128784 
Hf       5.16332692       1.65250290       2.39759905       1.95362458      -1.53798158       1.79262212 
Hf       5.49707494       1.92945787       7.89044644      -0.73769710      -2.29004743      -0.17982558 
Hf       1.65991288       9.05904146       2.63766362       0.78336169      -0.17562419      -0.69617278 
Hf       3.85419108       0.09680546       5.53778829      -0.04101750      -2.92718148      -2.78100186 
Hf       3.58638262       3.42567639       0.07020763      -1.78168778       0.34033394      -5.00617705 
Hf       7.14858863      10.78667633       0.33083007      -1.84838561       1.12694395       0.78478054 
Hf       9.26597970       1.83568065       2.41000671      -2.19189445      -0.58463166       0.66688775 
Hf       5.47822569       5.67882195       8.01565691      -1.70384151      -0.88866548      -0.31509488 
Hf       8.95665468       1.75974045       8.01476981       1.65684352      -2.40390753       3.22215440 
O       0.12870594       8.34827720       1.33596326      -0.66869756       1.42431828       1.87520198 
O       5.56382985       6.79752563       3.71644739      -1.81498228      -0.98731307      -1.07703374 
O      10.70327926       5.45471094       3.88848232       1.41412854       1.75909095       1.25708867 
O      10.56886328       1.26989977       4.12275165       1.14032863       1.24355094      -0.31968398 
O       2.06325824      10.72855859       3.86075456      -1.78451960       0.75035218      -0.09598073 
O       2.13102483      10.41812548       1.20281187      -2.35124641       0.48581829      -0.31841101 
O       1.86044702       3.79075913       0.92982216      -1.92676654      -1.67343731       0.54389389 
O       0.03451129       2.14893997       9.25485248      -1.28579972      -0.55047034       1.46391937 
O       1.69880230       0.33771465       9.16939777       0.41461938      -0.91221872       0.04383916 
O       1.65400497       0.09206765       6.49129579      -1.79269101      -1.10248778      -0.83212396 
O      10.42426829       2.21251840       6.89871408       4.78012057       0.36157284      -3.71762348 
O       1.36499391       3.33910833       3.52248940       1.18627043       0.23956593       0.02714286 
O       1.69818887       6.46007897       0.74479221       1.39189758       3.24936414      -2.53065729 
O       1.44769012       7.38683485       8.70540206      -0.14912560       0.02690398       3.30318055 
O       0.05575235       1.61331471       1.39651657       1.57119038      -1.03305467       0.31552053 
O       3.43832378       5.31987775       6.78995273       0.22304855       0.34641427       0.63136421 
O       3.73945492       1.46077268       6.86031267      -2.87447642       2.17736720       1.07186486 
O       5.46263563       3.51043738       8.89150384       0.63287070       4.17670022       0.56858936 
O      10.88280296       5.45051381       1.27106695      -2.47019831      -2.41713629       1.23544295 
O       1.94833824       7.42642917       6.45564103      -2.39072826      -0.23688663      -1.87215156 
O      10.63256705       8.88251378       6.53518644       1.86647767       0.65982140      -0.50184108 
O       3.69762184       1.57010557       3.97021200      -2.50152515       2.46216727       0.40243696 
O       5.51399605       0.33135524       4.25592409      -0.03436682       0.40122690      -0.52941742 
O       5.21258334      10.71812760       1.54964102      -0.52825850       0.62475083      -1.24535681 
O       3.26061560       1.53825362       1.52289378       1.79048549       2.75253346      -2.05020701 
O       4.03537834       1.68637940       9.46223511      -1.56579287       0.63209548       1.78487601 
O       5.40671435      10.68753516       9.38633109       0.73058043       1.24697989       1.48313227 
O      10.66539966       9.33387820       9.56686561       1.81542113      -3.02226477       0.21700058 
O       3.27774103       5.22203377       4.05823022       0.76815981      -0.33291285      -0.14338193 
O       5.34847214       3.50203785       3.43596062      -0.41939000      -0.83765501       0.24288011 
O       5.31303551       3.18096011       0.74302790       2.40756588      -0.17774874       2.78661261 
O       9.18435038       6.88907057       5.85085837      -1.63810545      -0.18975956       0.41014399 
O       3.60171510       5.68897476       9.42284159      -0.24902511      -3.07044294      -2.19130311 
O       5.24028701       3.20941668       6.14572649       1.70491100       0.71878599      -1.19057828 
O      10.90744838       5.40650816       9.14072232      -1.06121598      -0.44854489       0.86848909 
O       8.81742419      10.81204616       6.49007059       3.53460042       1.53280851      -1.47945340 
O       1.97539802       3.30177017       6.06094236      -2.43765223      -1.62717466       0.39485167 
O       7.23522408       1.51220037       1.68112069       0.02804995       1.35941705       0.58204098 
O       9.00572529      10.62107968       1.15118841       2.03583610       1.02683815      -0.61984694 
O       6.34411376       8.94909778       4.47098490       2.70253404       0.13337462       1.16946413 
O       7.67016369       1.72365632       4.22496192       0.95893902       0.03486763       0.10688909 
O       3.52108332       8.98798873       7.30955745       3.75218054       1.43234760      -1.52121632 
O       8.76700544       7.37904645       8.54103116       1.06261510      -2.78296385       0.91002383 
O       7.28428778       1.57231419       9.69908665       0.42294689       0.43502666       0.11933768 
O       7.51566492       9.37998028       9.67302391       0.46099706      -1.95048873      -2.13779930 
O       5.34144880       7.48048115       9.08968101       1.02474904      -0.47827671      -1.04695670 
O       8.52757861       7.21219664       3.38048107       0.51054484       0.15939183      -0.27555010 
O       5.33104421       7.04935071       6.38061368      -0.45668439       0.49513296      -0.46378292 
O       6.99939212       8.93656083       1.43863292       0.68851316      -0.58743200       1.24990143 
O       8.99088692       6.82215351       0.66629598      -1.76581268       1.15423753      -0.29574823 
O       6.70976007       5.56494101       9.65016944       1.38015240      -1.26143557      -1.34808504 
O       3.65347968       9.10888830       9.76056701      -1.92711801      -0.92495100       0.52612272 
O       9.48073516      10.95323416       8.86621128      -0.86330032       3.10680591       0.56882604 
O       7.13012700       5.57728711       6.72375808       0.27897071      -1.08662952       1.03765977 
O       5.44320539      10.87132601       6.83090818       1.53248172      -0.51838601      -1.74805497 
O       0.15243653       5.27075981       6.59042195       0.53220501       0.59541562      -0.05253142 
O      10.81131156       9.29434917       3.55082716      -0.29103859      -0.35791171       3.54766208 
O       1.69626412       7.14218441       3.76622214      -0.80170239       0.49878694      -0.02088399 
O       3.73084515       8.86339063       4.57889295       0.66353210       0.69430233      -0.13794260 
O       3.51844994       5.31558245       1.38945009       2.83183571      -1.08704440       1.07502953 
O       5.46172892       6.99942860       0.92463552      -1.73037652       0.21280269       1.06193809 
O       8.69257443      10.33897188       3.75718005      -0.93533353       1.09797688       2.63752447 
O       8.66793855       3.57794902       8.59981889      -0.22519810       4.18039400       1.90258836 
O       7.14215450       5.01593289       1.32816721       0.20899002      -1.34668428       1.73763850 
O       9.34037390       3.34042338       0.90485506      -1.64946341       0.32790421      -0.96610857 
O       9.75250980       3.48322322       3.47645658      -2.39612255      -1.15949477      -1.93282377 
O       7.31903397       5.06500262       3.92061220       0.47369569       0.29171173       0.39818066 
O       3.42939004       8.43868655       2.06905847       0.39096728      -1.62924725      -1.65492882 
O       8.98314727       4.11331188       5.79084618       0.52698296      -0.87210812       0.80092582 
O       7.40691522       1.96075697       7.12026549      -4.94595461       0.32408667      -4.68443908 
O       2.01094433       3.51223756       8.93934879      -0.02311191       1.36018675       0.11570816 
O       7.32364053       9.06569547       7.04342037      -2.54624534      -0.88805688      -0.75508750 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0036699069838280847 -0.0012904693484839548 -0.00943239744220839 -0.0012904693484839548 -0.005805654282581828 -0.007591868432037478 -0.00943239744220839 -0.007591868432037478 0.01544334614472487" pbc="T T T" energy=-1065.8251852 free_energy=-1065.82521447 config_type=crystal 
Hf       1.77455307       1.55854293       2.78417025      -1.40912086      -3.36987483      -0.45892725 
Hf       3.42830167       7.17205496      10.56540000       2.61170810       0.20608493      -1.49291608 
Hf       5.31318440       5.28876797       2.35909326       1.89618407      -1.47268045      -0.57926141 
Hf       9.01681123       5.38460832       7.48849848       1.64820094       1.73314748       0.65620528 
Hf       0.13631674       7.10899233       5.23124846       0.05744190      -0.88951557       0.30233655 
Hf      10.89294208       0.33790835      10.33123664       1.83843316      -1.91643809       1.41677221 
Hf       7.29636962       3.34045197       5.02159665      -1.49813488       2.52128593       1.63192526 
Hf       7.08071205       6.98540843       5.18785674       0.72164513       1.39487879      -1.18904112 
Hf       1.67869530       5.36816489       2.45477871      -1.60187554       0.31425518      -0.02675188 
Hf       0.00933977       3.49279384       5.18325183      -2.00665404       1.60978568      -0.76150097 
Hf       0.17657314       3.83637553      10.38202094      -0.56882472       1.39409440       2.85123584 
Hf       1.83595104       5.47497121       8.10849474       0.67143396       1.48536105      -1.65915105 
Hf       9.07930809       9.25973281       7.85684116      -1.72760631      -2.10861324       0.41466727 
Hf       1.58566681       1.84517238       7.57880172       1.73381650      -0.54643116       0.92838825 
Hf       7.10739648       7.44107231      10.40067792       1.14707544      -1.52201478       0.99727623 
Hf       9.02925439       8.97335140       2.53328387       1.29998516      -1.53531764      -1.78659618 
Hf       5.19091840       8.60087414       2.82741827       3.37691446       0.51220552       1.17590199 
Hf       5.38102844       9.30926784       8.13318740       0.87983148      -1.43766260      -1.41745458 
Hf      10.68412828      10.60567796       5.19098996       1.67353718       0.02883875      -1.58244275 
Hf       3.53645251       3.45772357       4.93799191       1.26532335       1.08286440       1.01400349 
Hf      10.66942599       7.33300550      10.38115702       1.85430071      -0.50301241       0.17473334 
Hf       1.78197905       9.14306642       7.81407623      -1.36866087      -1.84969398      -0.05334985 
Hf       7.26608855       3.56234154      10.47756524      -0.51982567       1.88689309       0.21383195 
Hf       9.06715361       5.32778415       2.51248833       0.23146862       1.38427646      -0.39965487 
Hf       3.54827951       6.98709412       5.26350089      -3.04283615       0.51235958       1.12826718 
Hf       3.61378642      10.93567279      10.48500426      -1.56183645       2.50044378       2.53829649 
Hf       7.20377060      10.93208459       5.27645456      -1.74513954      -2.79757515      -1.15016383 
Hf       5.19848691       1.59338969       2.33117407      -0.89649628       1.03887056       2.75088198 
Hf       5.51267815       1.94547029       7.87704752      -2.55091067      -0.64803806      -0.43044248 
Hf       1.65476170       9.07484636       2.60899912      -1.71595205       0.89097585       0.77211934 
Hf       3.83932335       0.07815375       5.44394783      -4.51979544      -3.49977403      -0.81042707 
Hf       3.55400950       3.42084491       0.04757934      -0.70132220      -0.59202971      -2.14971405 
Hf       7.07965479      10.79890915       0.31027847       0.06960223      -1.77044434       0.98646174 
Hf       9.28636641       1.84238682       2.37895748      -0.96191030      -1.20115961       0.49535557 
Hf       5.48884480       5.65095405       8.00651650      -2.92566933      -0.16071078       0.70815196 
Hf       8.93347310       1.74188162       8.10591891       0.79655765       1.33645963      -1.61368701 
O      10.86832834       8.22295908       1.53925649       1.63957238       1.95639521       0.22954385 
O       5.50425003       6.69569542       3.74329890      -0.95780242       1.36637537      -1.19845258 
O      10.83644868       5.59311382       3.78860522      -0.22441910      -0.80821360       1.99813658 
O      10.55780517       1.19163591       3.95196434       0.49202706       1.50245911      -0.38756531 
O       1.90326723      10.73894499       3.98651603      -1.16845743      -1.63572637      -2.45130053 
O       1.96244573      10.63323953       1.33343335      -0.68307912      -1.69920048      -1.27345472 
O       1.73235669       3.65105567       1.00097183       0.05987878      -0.10039472      -0.94780894 
O      10.85117617       2.24985875       9.26681585      -2.11616573      -2.91421358      -0.49669504 
O       1.68719069       0.45346961       9.32170071       0.48029160      -1.04227473      -1.31281019 
O       1.71703845       0.11561713       6.17618952      -2.43386517      -0.51738328       3.67585346 
O      10.74528544       2.04384224       6.72739724      -1.99877127      -0.06312341      -0.13164955 
O       1.38753533       3.39947873       3.50255875       0.07906194       0.98324747       1.23461202 
O       1.81095767       6.65076398       0.70657425      -1.41435553       0.37780525       0.94219623 
O       1.64324092       7.42151201       8.91566196       1.10397861      -0.51505269       0.95800566 
O       0.30748562       1.50698180       1.39960334      -3.84991083       0.31281719      -1.57677198 
O       3.44100570       5.25356130       6.94852349       1.03187886      -0.19923549      -2.41035300 
O       3.72033210       1.42979799       6.92647278      -1.06866919       2.03746028       1.04443335 
O       5.48462411       3.62003989       8.85130283       0.37566775       0.23088718      -0.34501091 
O      10.87919592       5.38651981       1.41610496      -0.42121131      -1.26081248      -0.33422148 
O       1.89320743       7.34064490       6.51801721      -1.68623864       0.06519595      -1.15555161 
O      10.68032874       8.85263349       6.36723602       0.58414051       1.58168203       1.87900465 
O       3.28335127       1.57386599       4.03914202       2.34024274       3.31025533       1.51443205 
O       5.32751989       0.37871156       4.34320412       3.35421424       2.17409610      -3.78389246 
O       5.24979035      10.68181449       1.50627981      -0.56710591      -0.30871954      -1.61113105 
O       3.25390636       1.58690517       1.41865869       2.39615625       2.18208834      -0.87996054 
O       4.04587518       1.60836315       9.51409964      -0.57950006       2.71711864      -0.01837494 
O       5.47476721      10.83769744       9.30447620       1.65394220       0.55498673       1.03656534 
O       0.03920681       9.18257573       9.48348195      -0.57110569       1.13253312      -0.52675456 
O       3.21812856       5.36674401       4.15993816       0.42923436      -3.23355922      -1.57448251 
O       5.17434405       3.49415578       3.38909396      -0.45882303      -0.67902901       0.67878671 
O       5.38375024       3.08674947       0.87135596       0.03825557       0.31930375      -0.78812436 
O       9.08842928       6.98863782       5.79861566      -0.05656363      -0.33419080       0.76767690 
O       3.60680416       5.47412925       9.17901106       0.55452159       1.31461779       4.38268320 
O       5.25591717       3.30757641       6.01937266       0.63816713      -0.05527806      -0.01989731 
O      10.84957035       5.49624426       9.32546273       0.45169270      -1.19335846       0.01859234 
O       8.92993530       0.01490695       6.46782919       1.36763117       0.49233418       0.75107074 
O       1.82159112       3.27057997       6.12642975       0.35545620      -0.02668496      -0.70465236 
O       7.10474535       1.49451618       1.90461359       2.36638695      -0.59161440      -1.57253548 
O       9.08753045      10.51828720       1.16796065      -0.03598015       2.67006098      -1.85291976 
O       6.35669980       9.05258027       4.43244510       1.22382045      -1.04361381       0.08887299 
O       7.85786243       1.76719623       4.23211683       0.02244582      -3.01667299      -0.45212488 
O       3.55541669       8.93761304       7.30312585       0.83234745       1.38875488      -0.06393797 
O       8.95030820       7.19785349       8.62315709       0.73992102       1.16652313       0.37962695 
O       7.30300852       1.52023407       9.86838058       1.35114130       1.58799517      -2.20159319 
O       7.53450639       9.22152847       9.43097002      -0.42394210       0.30997497       2.21851003 
O       5.36093799       7.49830196       9.15089002       1.26454656      -1.40585566      -1.28189008 
O       8.61324828       7.30113877       3.36398858      -1.11086112      -2.55774486       0.46705644 
O       5.17475589       7.08018068       6.17477948       3.84575496      -0.77083798       2.98460598 
O       7.00569116       8.83398813       1.46785863       0.25955738       0.19551497      -0.39573917 
O       9.09432022       6.90797876       0.81668836      -4.38355040      -0.12909049      -1.02368211 
O       6.90723365       5.39695124       9.62963293      -0.08235015       1.69976754      -0.62796807 
O       3.71979920       9.23744173       9.72952874      -1.59459734      -3.64323597       0.23469999 
O       9.39401831       0.02494780       9.02371520      -0.50069228       0.79703974      -0.48443027 
O       7.13021344       5.84847681       6.93526615       0.40775934      -1.08968562      -0.33243894 
O       5.36109400      10.63306434       6.59123465       2.81593836       1.11270544       1.34089339 
O       0.16634429       5.32584110       6.81104938      -0.43962894      -0.23987653      -1.92800616 
O      10.82491814       9.22182603       3.62713817      -0.98467018       0.36002861       3.14703830 
O       1.72763422       7.21673703       3.87259399      -0.43234610       0.82137447      -1.32697176 
O       3.81225721       8.83196806       4.76784277       0.13073085       2.12281371      -2.31770200 
O       3.56285636       5.05863105       1.31914074       1.53658606       0.92074533       1.28506885 
O       5.36266542       6.96524205       0.97168649      -0.63671386       0.26767498       0.55265051 
O       8.47656254      10.18558646       3.92642211       0.85307778       1.51758337       1.45853306 
O       8.58401121       3.70390368       8.63986662       0.40652485      -0.83281664       0.58982715 
O       7.10528723       4.92402016       1.38937675       0.51727631       0.07144433       1.78263098 
O       9.27144335       3.50105619       0.91327727      -1.02225245      -1.40620650      -1.26201536 
O       9.41230694       3.42278467       3.43019460       0.79179913       1.77350586       0.41109668 
O       7.37131414       5.04586666       4.09442770      -0.38386171       2.13040966      -0.86069100 
O       3.44275351       8.45039950       2.08648312      -0.32048241      -1.06535447      -2.04364706 
O       9.02309953       4.31964809       5.78014905       0.75435474      -2.64427623       0.58508526 
O       7.35959396       2.23150460       6.78591605       0.05690230      -2.28119277       2.08286631 
O       1.98986893       3.51656868       8.93716474      -0.49216964       0.13460971       0.32193135 
O       7.22885995       9.11068563       7.05318682       0.95566291      -0.40870667      -0.78470624 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02124327882964949 0.0042397811026653074 -0.007172992915263991 0.0042397811026653074 -0.030825001537807987 -0.005472464556137406 -0.007172992915263991 -0.005472464556137406 -0.009908468026498368" pbc="T T T" energy=-1062.09209609 free_energy=-1062.09209749 config_type=crystal 
Hf       1.74616498       1.45742760       2.82203181       0.56435483       3.92245502      -1.99052344 
Hf       3.45728402       7.16239560      10.62670286      -1.13260510       2.09084179       0.32478302 
Hf       5.40802304       5.40677932       2.36844083      -5.04259141      -1.55427246       3.83107019 
Hf       9.04261513       5.49343087       7.53672172       3.47959452       0.15467402       0.73192220 
Hf       0.27223819       7.01299805       5.11131635      -0.58562871       0.09436024       3.99091668 
Hf       0.03905748       0.19496903      10.40464094      -1.97298628      -2.04537811      -0.07475168 
Hf       7.37317775       3.21382132       5.01220274       0.42424198       2.16889967       1.36921497 
Hf       7.11920299       7.06056539       5.31038881       1.12676834       1.71602138       0.86030708 
Hf       1.70691686       5.50321523       2.51324586      -1.20852734      -2.94317706       0.40809647 
Hf       0.00589553       3.63226492       5.26662847       1.34127853      -0.47804610       0.40687199 
Hf       0.05961477       3.73764028      10.37187333      -1.03373124      -1.03008754       3.37322311 
Hf       2.05363252       5.40146697       7.93586692      -2.75999806       0.01772037      -1.32179161 
Hf       9.06010879       9.26486657       7.81989518       2.55418829      -1.08639366       1.40482409 
Hf       1.70440027       1.83671347       7.66224511      -0.14940097      -0.86885606      -1.91824845 
Hf       7.25064103       7.25649449      10.54054897      -1.35286296       5.09661005       1.20575492 
Hf       8.97613587       8.99909614       2.59852478      -0.48630903      -0.80765650      -0.39553927 
Hf       5.33478492       8.58755153       2.74777996      -2.31016470       2.12973653      -1.60521856 
Hf       5.39759731       9.37733035       8.09273821       0.14485221      -1.10677583      -1.91487534 
Hf      10.77054045      10.65318657       5.22796230      -1.10286059       0.42236816       2.60043297 
Hf       3.43582044       3.66190353       5.01102749       1.56020653      -1.66918768      -0.61848157 
Hf      10.71248493       7.24871595      10.48431338       0.85460855       1.66187974       0.98752922 
Hf       1.71771455       9.27897034       7.92236756       1.05818288      -1.72904590       1.90425168 
Hf       7.25906280       3.64611648      10.39234351       1.65417783       0.96975472      -1.96970502 
Hf       8.78345632       5.36776533       2.43830291       5.30779845       0.76019721       1.03630716 
Hf       3.50102070       6.90531065       5.24114927       0.55482827       2.12412781       1.18778235 
Hf       3.56437552      10.94412205      10.41521775      -2.91163361       2.79139430      -0.25812913 
Hf       7.07139441       0.02390281       5.29379460       1.52043681      -2.63283511       0.84927198 
Hf       5.29693632       1.52211555       2.22178795       0.35638746       3.33898881       0.50995609 
Hf       5.45099269       1.99159001       7.83303390      -2.27417447      -3.83655426      -1.19043207 
Hf       1.56807465       9.10131716       2.53988735       0.83846368      -2.86909960      -1.39877377 
Hf       3.68364330      10.87504677       5.17026330       0.91105452      -0.19059524       5.65660487 
Hf       3.44401301       3.41750519      10.53978124       0.40340262      -0.07310511       1.89097206 
Hf       6.95146170      10.78559005       0.26645638       3.84187612      -2.28922825      -3.06496382 
Hf       9.28149844       1.83381638       2.30227754      -1.66369710      -0.02559202      -0.00972059 
Hf       5.43030437       5.58448914       8.00142107       0.72286406       1.21538524      -1.65884183 
Hf       8.87784576       1.73597009       8.27539906       2.05945637      -1.82592487      -2.95307658 
O      10.75007650       8.61588857       1.80285474      -0.40239342       1.08313298      -0.94847927 
O       4.89604127       7.02455827       3.78278648       2.53118170      -2.51329069      -2.07959083 
O       0.15864124       5.37482998       4.09098454      -1.01187441       1.61882122      -0.65208873 
O      10.93522929       1.49073581       3.56038316      -3.84044478      -0.42208276       2.01142406 
O       1.56585212      10.69144404       3.69891560      -0.30407559      -2.52883564       1.95531518 
O       1.68506238      10.66310394       1.03172323       0.60033836       0.43756530       0.59012124 
O       1.72800322       3.41300414       0.87017774      -0.40220472       0.29225934      -0.31607232 
O      10.59819260       1.91280694       9.43034418       0.94826382      -0.15831689      -2.52440475 
O       1.93728517       0.29985323       9.09122423      -1.04515343       0.22354064       0.43902143 
O       1.66563553      10.80240312       6.72039709      -0.08498714       2.98816772      -3.90968075 
O      10.92027752       1.84256047       6.27018081       1.46454742       0.19846423       0.57035488 
O       1.47576531       3.57532527       3.64622467       1.56473117      -2.21407661      -0.28097791 
O       1.35319013       6.96683987       1.26969325       2.48920188       0.26730885      -2.81616709 
O       2.21716320       7.07679560       8.93518339       0.22259741       1.05785440       1.38957877 
O      10.72997137       1.76185134       1.10479537       3.45227869      -0.19078145       0.21386337 
O       3.63233142       5.23135393       6.58737611      -0.00670440      -0.41427383       1.77694863 
O       3.61737429       1.76145912       7.09739315      -0.75601043       0.20977841      -1.41546293 
O       5.71127340       3.62606251       8.61340360       0.77945905       4.38344938       1.82142011 
O      10.74360600       4.93795685       1.58808208      -0.71388285       0.48817530      -0.04265195 
O       1.90846837       7.15895191       6.50512561      -0.72216676       0.23036393      -1.11406882 
O       0.01827779       9.19238912       7.02063551      -2.43678271      -0.65571489      -3.18642051 
O       2.85111888       1.50092127       4.56761271      -0.35023388       3.59463952      -1.96415708 
O       5.44965924       0.78172419       4.03139072       0.30426337      -2.02079521       0.90937210 
O       5.03229184      10.55710804       0.98691817       2.50286343       0.76482205       2.82955219 
O       3.47847259       1.68028283       1.45729712      -0.71408245      -0.97938767      -0.34785465 
O       3.98268469       1.85803735       9.45231772      -0.43240916      -0.67891662       1.26121095 
O       5.75453678       0.13483319       9.11838919      -1.07077598      -1.04237171      -0.00945261 
O       0.39723279       9.16819335       9.42713858      -0.14102696      -0.26308348       3.54942356 
O       3.17000959       5.42914413       3.97128457       0.56070075      -2.06445102       1.78141024 
O       4.73257282       3.23924855       3.31433297       1.46001696       0.41239130      -0.59866388 
O       5.67945214       3.06532095       0.65006348      -2.70345504      -0.80619928       1.45588075 
O       9.19706821       7.11276996       6.10247156      -0.22686226      -0.96805584      -0.76797611 
O       3.69415471       5.29322531       9.82762293       1.00367008      -0.25844978      -2.96069807 
O       5.47515286       3.48859265       5.82075587       0.08748228      -0.70845721       0.51291136 
O       0.12922208       5.53209459       9.59398412       0.33802114      -0.44381909      -0.96584721 
O       9.24666000       0.20616201       6.79964861      -0.23148502      -1.54775167      -2.27207424 
O       1.90001362       3.53209421       6.28857323      -1.41161518      -0.07548242       0.37479917 
O       7.36593157       1.04131850       1.72086784      -2.65112791       2.16973997       1.76706445 
O       9.17690019      10.83638414       0.98461465       0.81204262      -1.50744627       1.57606627 
O       6.54069793       8.82210602       4.21683775       1.77516255       1.34408761       1.89925279 
O       8.08191471       1.44854195       4.39385322      -0.46749611       0.72174579      -0.62508565 
O       3.56548229       9.33145966       7.12811585       2.38561674      -0.48665694      -0.02199817 
O       9.66649228       7.43881690       8.88493979      -3.03567096      -0.80104271      -2.12105958 
O       7.58465868       1.81159060       9.61865722      -2.72618419      -1.51244778       2.35817843 
O       7.42636946       9.02964815       9.66522860      -1.19723668      -0.21851918      -0.53580187 
O       5.55880466       7.37131907       8.83947105      -1.31808201       0.73084980       1.84628700 
O       8.54551949       7.13970945       3.30990578      -0.55186428       0.21046311       1.09836915 
O       5.23342461       6.92683535       6.38067586       0.63285111       1.17405019      -1.31126277 
O       7.04472630       8.96877760       1.55819461       0.65261261       0.54422584       0.32777813 
O       8.93884932       7.00731934       0.92194596       0.21811449      -0.50710314      -0.89835857 
O       7.24150526       5.65034150       9.66920608      -0.51473205      -4.26201552      -1.14280323 
O       3.59262009       9.12884652       9.78137137       1.01217253      -1.38222226      -1.12663297 
O       9.12915756      10.61369479       9.17790394       1.05271993       2.96761725       0.92840571 
O       7.26430261       6.06275974       7.20332007      -1.45574655      -0.88416798      -0.58144653 
O       5.36542042      10.85096855       6.43595250       0.79084923      -0.04345244       0.17280998 
O       0.16081940       5.30691056       6.76592588      -0.36931180      -0.40816149       0.19445941 
O      10.61306372       8.62317935       4.36734949       2.16085916       2.44757406      -1.30412004 
O       2.00686168       7.49547410       3.75553522      -1.38414393      -0.92005471       0.86870976 
O       3.92906723       9.27620691       4.28578935       0.04194691      -1.88509875      -2.17353043 
O       3.62006476       4.88327173       1.57730565       0.17259048       1.59410518      -0.15333784 
O       5.38284944       7.02257995       1.16157422       1.04948348      -0.32108329      -1.23347705 
O       8.92836968       9.97572362       4.26838553      -1.49675425       3.18644015       0.77871898 
O       8.75807400       3.74389878       8.59385835       0.50433813       1.15962143       0.29798095 
O       7.09378562       4.80129192       1.85548072      -0.39477947      -0.55266457      -3.19909212 
O       8.99576190       3.32868961       0.60612733      -0.20154031       0.64063809       1.49595705 
O       8.81535876       3.64191902       3.42640972       0.59730853      -1.59265541       0.04225511 
O       7.11269228       5.33025078       4.45565799      -0.75740160      -1.43420335      -1.00380278 
O       3.35817856       8.48398994       1.67467835       0.44702886       0.08769844       0.05159690 
O       9.04969917       3.81432472       6.04977139      -1.20638530       0.83757966      -0.11091882 
O       7.20818467       1.73539907       7.00192050       0.99469792      -0.02806629      -2.65956725 
O       1.62063595       3.55751202       8.94311263       1.66001406      -0.11096068      -0.64807480 
O       7.41581358       9.13248522       6.87572281      -3.76330048       0.23752459      -1.28278171 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003927156406051085 0.0012355230280489185 5.912497958726924e-05 0.0012355230280489185 -0.03288193395538031 -0.012228418849488183 5.912497958726924e-05 -0.012228418849488183 -0.026318929338105593" pbc="T T T" energy=-1057.14999439 free_energy=-1057.14999606 config_type=crystal 
Hf       1.76091241       1.86610809       2.83827165      -1.77389969      -2.13980300      -2.95803357 
Hf       3.78890877       6.96124782      10.61870199      -0.32901865       1.83734957      -4.40265150 
Hf       5.19041924       5.56086527       2.49454881       8.12886995      -3.27488546       5.03541630 
Hf       9.23622342       5.58636875       8.02209256       1.83916055      -1.29489869      -3.83629062 
Hf       0.11683862       7.10248337       5.21925289      -1.73669086      -1.62772912      -0.73977255 
Hf      10.62505244       0.20990294      10.26401640       0.41389551      -0.84795019       1.17003836 
Hf       7.15713069       3.33128246       5.20626617      -2.02566064       3.84447863       0.11736866 
Hf       7.30135603       7.08064576       5.03470327      -1.35591391      -0.02799256       1.59207498 
Hf       1.81176523       5.41389316       1.99859085      -1.99726883      -1.02444781       2.93798694 
Hf      10.89671456       3.68149932       5.68396638       0.96178002       0.41343849      -2.78160048 
Hf      10.68624969       3.61402406      10.57011003       0.24482546       5.76684402       2.82349493 
Hf       1.97961061       5.21738546       7.81919398      -0.34039845      -0.45929655       0.63406314 
Hf       9.25884274       8.98890465       7.74432118      -1.59777814       1.27350820       0.27319465 
Hf       1.65563851       1.41459566       7.71263071       1.43824613       1.87092037      -0.92932050 
Hf       7.29973235       7.33511069       0.00485639      -0.56250355       0.64107434      -1.25101873 
Hf       9.15236784       8.82718237       2.56949187      -2.95358426       1.46181198       0.94441900 
Hf       5.34134537       9.15550761       2.53235234       0.69847565      -3.71563660      -4.33616419 
Hf       5.51424080       9.09947425       7.97201371       0.27523425      -5.69479368      -3.95840149 
Hf      10.73100342      10.91341940       4.98684173      -0.07897557      -0.36581016       0.77697190 
Hf       3.75132224       3.65986221       4.95888927       0.25561618      -1.98958202       2.40188095 
Hf      10.80004375       7.25934776      10.50690244       2.85227458      -0.66863430      -1.92755553 
Hf       1.89350828       8.81949378       7.97112863      -3.09970452      -0.37982809       2.10258474 
Hf       6.99206201       3.69281315       0.16921411      -3.65167491      -0.58258420      -1.37666358 
Hf       9.10776838       5.28926318       2.18441511      -3.29508433       0.74710361       5.20877486 
Hf       3.33282868       7.38616029       5.24920223       4.37390504      -3.14922307       0.40686595 
Hf       3.20686842      10.84639048      10.53369613      -0.08680975       1.07858982       3.50916453 
Hf       7.13686593      10.78035275       5.27608265       1.62850945      -0.54457372      -0.45206495 
Hf       5.37526000       1.43812115       2.74004034      -0.46199513       5.31800855      -2.74046058 
Hf       5.23810666       1.73260978       7.90600570      -0.89898206       0.13648457      -1.07935456 
Hf       1.34654094       8.92189776       2.63559926       2.85534153       1.42085796      -1.28033979 
Hf       3.73345892      10.69359153       5.11950770      -0.77846073       7.77059150       5.82979249 
Hf       3.49744970       3.26088939      10.29340803       0.36790337      -1.02043537       2.31477768 
Hf       7.26337409      10.93385946      10.31245658       1.05663707       0.47895992       0.95389225 
Hf       9.01992952       1.99879128       2.79633089       0.57830976      -2.58230000      -1.57652233 
Hf       5.69167520       5.41786186       8.05544838      -2.75467944      -1.59370662      -0.47658519 
Hf       8.90673016       2.04151102       7.90774960      -3.92575250      -0.89194444       0.16911131 
O      10.64588768       8.70014108       1.27881761       1.94193813       2.89644953       1.88236997 
O       5.09516548       7.43033751       3.35509625      -0.33348808      -0.06045807       0.87228366 
O      10.74769050       5.19087589       4.31822565       0.86638318      -0.22586096       0.16758881 
O      10.87965531       1.79669821       4.29038193      -0.00745764       2.53135065      -0.11826672 
O       1.42423146      10.84333474       3.47725354       0.07433249       0.35837397      -0.13240752 
O       1.38669358       0.27696768       0.88221423      -1.25569457      -0.50369585      -0.82551390 
O       1.75569418       4.13018576       0.45160570       1.53316444       0.35064876       1.04894504 
O      10.72967621       2.13691992       9.61402935       0.50217423      -7.15031393      -1.97135700 
O       1.49401242      10.89744851       9.03286518       1.43243194      -0.19256406      -0.78795431 
O       1.40941479       0.14701374       6.10158276       1.06766822       0.13110812       0.37587671 
O      10.67019828       1.77799216       7.32340013       2.63180690       0.63851523      -3.09078309 
O       2.10899823       3.60185304       3.59759157       0.69531543       1.15083263      -0.32365113 
O       1.70237461       7.25769626       1.02521339       0.11748132      -0.31041860      -0.94611283 
O       1.61172193       7.08299144       9.09343602       1.82235490       0.34093248      -0.90646538 
O       0.19777892       2.73363539       1.76073254      -0.97164022      -1.77131775       1.18435904 
O       3.76608052       5.59219735       7.10737857      -0.48982748      -0.95307641       0.49410863 
O       3.43435760       1.23432071       6.83653539       1.57518159       0.13722541       1.49700091 
O       5.68724711       3.29506554       9.21841542      -0.66652751      -0.44797795      -2.72125487 
O      10.87467120       5.42465502       1.44413045       0.18912080       1.10455550      -0.83955263 
O       1.75196520       7.06626349       6.47220324       1.04857585       1.38434906      -0.93702301 
O       0.19933686       9.04647109       6.78482891      -2.05274153      -0.76875927      -0.37286692 
O       4.04391854       1.60995144       4.51837770      -0.94459345       1.15217167      -3.35187702 
O       5.31261304      10.67156745       3.63654048       0.29984213       0.92686953       1.87133041 
O       5.37119357       0.04559317       0.67204223       0.17772466      -0.61443598       1.53356055 
O       3.43552584       1.75565277       1.52683151      -0.37963238      -0.32288134       1.26035648 
O       3.85348047       1.44982074       9.46997090      -0.89327684      -0.47981637      -0.24804411 
O       5.67471312      10.67809536       8.76738326       1.22693109       5.24883058       2.04615991 
O      10.92537601       9.13240371       9.27763978      -2.53219707      -1.29442174       1.27297714 
O       3.75619821       5.43422574       4.37559430      -0.48788081       3.44392363      -1.60729253 
O       5.40885394       3.69176783       3.66832969      -1.08243838      -1.03824613      -0.45581525 
O       5.05216920       3.67093872       1.00052882       1.78568037       0.15044627       1.54990017 
O       9.41699797       6.81369066       6.26675328      -2.74165163       3.07987839      -0.46162048 
O       4.12524975       4.96906608       9.80517087      -1.49452497       5.53781028      -1.36216814 
O       5.42699434       3.15278478       6.38922774      -2.20896048       3.17703707      -0.73955343 
O      10.89944787       5.34330135       9.43142154      -0.44208237       1.33352164       0.57619136 
O       8.93483011       0.04248430       5.99489471       1.27360455      -1.33439208       3.05279182 
O       1.91811184       3.54703360       6.35987937      -0.50963171       0.11638466      -1.29771056 
O       7.18569397       1.78244753       1.98995001      -1.34400250       0.87890879      -2.56698635 
O       8.99196280       0.47127026       0.94671929       2.28303091      -1.19118858      -1.61486892 
O       7.19697153       8.96823912       4.15776963       0.41253091      -0.57812941      -0.99251413 
O       7.04524079       1.80102310       4.21437809      -0.82455364      -4.15186572       0.70896757 
O       3.57390790       9.01067926       7.11197104       1.00736984      -0.24949295      -1.59173099 
O       8.69497040       7.09565176       8.94865374       2.26904998       2.42172252       1.56636384 
O       7.80068800       1.96881862       9.67996465      -1.88868666      -1.12506802       1.33107437 
O       7.61451532       8.99386860       9.26353063      -1.96459696       1.45097393       2.10274138 
O       5.34833727       7.06396843       9.07118070      -2.52222250       5.67098746      -1.54173556 
O       9.28890612       7.13002007       3.51467155      -1.20326097      -0.61762942       0.19840550 
O       5.27044296       7.10457115       5.91894891       1.45977876       0.87940620      -0.13472872 
O       7.43897335       9.20811756       1.46420427      -0.97956304      -0.41510704      -0.43091689 
O       9.07693293       7.12742240       0.94786095      -1.76730726      -1.08172545      -0.01835188 
O       6.69208804       5.67372335       9.75312555       3.33466349      -4.29807324       0.94647777 
O       3.51725354       9.15910644       9.67627426      -0.11488510      -2.35190641      -0.53865282 
O       8.86300947       0.08048442       8.68685031       1.85449500      -1.86564360       0.58654851 
O       7.39480512       5.61131118       7.11893314      -0.64839060      -0.57379240      -1.53799999 
O       5.33248175      10.52969941       6.17223989       1.45378208      -0.57892512       1.17421043 
O       0.15235194       5.44994136       6.76670828      -0.05684264      -2.37991845       1.67381338 
O      10.71164811       9.03948346       4.09643690       0.22125654      -0.40725299      -0.43131231 
O       1.63092429       7.16498428       3.57574600       0.18400297      -0.55369615       1.27486083 
O       3.15155344       9.18027529       4.45544371      -2.46371986      -6.58567856      -2.85412558 
O       3.68023401       5.87178702       1.57995472      -4.61994639      -0.24107602      -1.45277592 
O       5.47594772       7.46229419       0.94391610      -0.39672012       0.44688504       0.01380661 
O       8.83397695       0.17527650       3.74745909       0.94808069      -1.16210465      -2.41767547 
O       9.12034696       3.83935655       8.76997557      -0.90885608      -1.13072518       0.70751913 
O       7.14955582       5.31738208       1.39877491      -0.62261457       2.02155481       1.56488843 
O       8.81422810       3.77308469       0.90297022       3.52827568      -1.32976356      -0.17592452 
O       8.65253376       3.71640503       3.56873756       0.77653419       0.21554716      -0.61083458 
O       7.06667872       5.43276048       3.89083261      -0.12818497       2.48690864       2.36670420 
O       3.26036208       9.34049233       1.94075177       1.30753202       0.14064192      -1.02746979 
O       8.93465481       3.39925764       6.03083529       0.93367774      -0.37417859       2.34558243 
O       6.92753194       1.62505944       6.92801738       4.17096149      -1.33998007      -0.32212237 
O       2.12491686       3.37472124       8.73986383      -0.17728996      -0.47139106      -0.21612789 
O       7.21778420       8.84155533       6.64321567       1.53208675       0.47647528       1.52828912 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.007789962153965292 -0.0015259970893715842 0.004703831270635403 -0.0015259970893715842 -0.009988713817337461 0.01221530959565978 0.004703831270635403 0.01221530959565978 -0.004750465242839224" pbc="T T T" energy=-1061.25387082 free_energy=-1061.2538766 config_type=crystal 
Hf       1.79600514       1.82171317       2.86760854      -1.93539563      -0.47000887      -2.36175723 
Hf       3.80427894       6.93181661      10.55357109      -3.21399473       3.07400413      -0.59411908 
Hf       5.16478001       5.45023782       2.54522650       2.33319540       1.39256110       2.03467585 
Hf       9.30909594       5.55150030       7.95979833      -1.46435699      -0.16001151       0.18993395 
Hf       0.09705657       7.11078386       5.23404623      -2.40723669      -0.31991943      -1.05898726 
Hf      10.64463563       0.25080552      10.44038223       1.08033812      -8.06639806       1.24989006 
Hf       7.03604553       3.41886669       5.26749229       0.01733899       1.89545666      -0.67187687 
Hf       7.27090043       7.23887396       5.04091135      -1.22953959      -3.18714096       3.00407213 
Hf       1.69872999       5.39513013       2.12835776      -0.71674225       1.33153498       0.02917476 
Hf      10.92725989       3.61513861       5.52288112      -1.54661072      -0.00984528      -0.29693583 
Hf      10.73256049       3.60274365      10.60284533       2.54845613      -0.27142884      -1.21631411 
Hf       2.01256625       5.21899709       7.81907961      -0.94373484       0.37858028       1.95437460 
Hf       9.27206181       9.05006762       7.73450200      -0.63644786       1.30671412       1.02108527 
Hf       1.74675375       1.41332575       7.79561844      -0.85608056       1.57737931      -3.86969187 
Hf       7.31712971       7.34113825       0.05217000      -1.13170251       1.58713221      -0.77112691 
Hf       9.05044878       8.87857346       2.61672832      -1.65457791       0.31278635      -0.42141748 
Hf       5.28358457       9.16426518       2.47000029      -1.38756967      -2.68835702      -1.68131833 
Hf       5.55948218       9.03675509       7.93933059       0.50635051       2.80061168      -3.02555897 
Hf      10.72158170      10.89325192       4.99176583       1.60381968       0.57800460       2.97648715 
Hf       3.64799839       3.55894945       4.91749091       0.18467717       1.38033949       1.12717748 
Hf      10.80862109       7.31719588      10.49779265       1.24789211       0.40948000      -1.38228835 
Hf       1.85353926       8.83171410       7.83427983       0.13464899       0.18542690       1.79576726 
Hf       6.97267175       3.63625904       0.10091460       2.03703406      -1.20190044      -1.20451748 
Hf       9.10957677       5.28737831       2.26535346      -1.87590299       1.45647763       2.66175386 
Hf       3.34577034       7.34413329       5.28063611       4.52431043      -3.19009069      -1.56078308 
Hf       3.27192252       0.01718054      10.49847035      -1.43423808      -4.48529565       3.58275114 
Hf       7.23756362      10.78868895       5.29736467       0.26804004      -4.51184731       2.87550863 
Hf       5.38388577       1.45780229       2.78857672       1.58914901       1.81179509      -5.43398641 
Hf       5.34444702       1.75161219       7.88650988      -0.52017010      -1.88327102      -3.11183056 
Hf       1.33051932       8.93107220       2.68189993       4.56538787       0.82494913      -0.29332509 
Hf       3.72047672      10.77032034       5.07912079      -1.22118277      -0.19374006       3.68036866 
Hf       3.55264931       3.13624188      10.30421411       0.64906692       4.30530101       3.03838464 
Hf       7.22470401       0.10894055      10.28753668       1.02488061      -1.69844042       0.98870726 
Hf       8.92038670       1.98500907       2.75181951       0.86493268      -0.37739510      -3.69375166 
Hf       5.66127986       5.41710381       8.12220945       0.11555514       0.28310068      -1.55967171 
Hf       8.87948960       1.97448692       7.86694785       3.17185426      -2.29346816       1.09093886 
O      10.80965457       9.03219148       1.41551601      -2.00812481      -0.87887665      -0.54956471 
O       4.77570901       7.65065379       3.55199731       1.98997648      -1.57496270      -1.53867457 
O      10.48569529       5.18508772       4.33870784       1.99446003       1.36143382       0.30857012 
O      10.91419705       2.00143748       4.44293199      -0.16019639      -1.69738387      -1.17444440 
O       1.41252147      10.94918613       3.47619234      -0.52011506      -0.86565197       1.12989613 
O       1.50013573       0.09641554       0.99329472      -1.21385852       0.81378618      -1.82482371 
O       1.81348828       4.17197512       0.52734551      -0.13514029      -2.78086751      -0.44606008 
O      10.86154416       1.78993190       9.61724143       0.71641188       6.38476465      -2.20681261 
O       1.57566705      10.91731831       9.00382388       1.13489965      -1.14926020       0.06855406 
O       1.79875082       0.16142209       6.07425943      -0.02778397      -1.17650734      -0.95550692 
O      10.81781099       1.65498345       6.95035338       0.20276525       1.09513971       0.88006598 
O       2.11820905       3.96157916       3.49067202       0.22551549      -2.88792782       0.12277862 
O       1.90224689       7.17654286       0.92451340      -2.64864055       0.09319970      -0.11243352 
O       1.95553973       7.09347458       8.98725763      -0.80425985      -1.40983158      -0.67356852 
O       0.05626147       2.52538221       2.07894078      -0.16948189      -0.47804661      -1.40840780 
O       3.45175430       5.91366315       6.84328353       2.47146978      -3.05547534       0.89656102 
O       3.57636412       1.48007584       6.70095951       1.65777385       0.44193473       1.24297554 
O       5.72833342       3.27348583       8.99402203      -0.88534565       3.28064531       0.01738786 
O      10.76652277       5.47539631       1.09836334       0.25504541       0.36795506       3.29633427 
O       1.64782524       7.20467546       6.45073681      -2.03769849       0.23667607      -0.42701482 
O       0.13856623       9.29107091       6.61446241      -0.56507124      -0.32122421       0.56504474 
O       3.87024348       1.63353500       4.02726496      -3.43168549       0.20857549       1.91544466 
O       5.53335793      10.67937842       3.76676252      -1.80522667      -0.86432007       0.03314563 
O       5.32356828       0.10975436       0.91450502       0.47322741      -1.06613748       0.63964925 
O       3.35342771       1.42787729       1.60743047       0.73643843       2.39994734      -0.77624576 
O       3.98448170       1.47240138       9.41529469      -1.57226512       0.11009885      -0.09462093 
O       5.70024542       0.01783319       8.83448903       0.98330108      -2.59903047       0.52541759 
O      10.75062562       9.06576001       9.23359799       1.38615700      -0.87681510       1.27556052 
O       3.93479536       5.50098404       4.15004703       0.06881729      -2.10958100       0.79920989 
O       5.50780087       3.35572255       3.64574944      -0.29834781       1.71812730       0.30069175 
O       5.21292933       3.40352500       0.88105407      -2.51076696       1.61672415       0.67125957 
O       9.44070665       7.16164632       6.50406367      -0.75698823       0.37107299      -1.15806727 
O       4.17289816       5.28954530       9.53889369      -1.72832656      -2.23539881      -0.62420148 
O       5.21506597       3.45383178       6.39837537       1.18581330       0.85927606      -0.82332776 
O      10.75402855       5.21324114       9.46996973       0.28205779       2.24286480      -0.46027913 
O       9.02330551      10.89479102       6.22095302       0.35045348      -0.94223613      -0.88778194 
O       1.84915938       3.48608449       6.10493919       2.23434965       0.95005305       0.62322545 
O       7.03905186       2.18338640       1.47294684       1.25082045      -2.67369093       4.19528160 
O       9.00633959       0.48937812       0.77501056      -0.73863115      -0.20002634       2.53719178 
O       7.29205383       8.90417752       4.16140294       0.87428672       3.02830536      -1.55543223 
O       6.96343332       1.38378630       4.28361200       1.16658830       5.86891973      -1.19853543 
O       3.66590061       8.55850608       6.86580670      -0.40062725       2.82122195       2.09084526 
O       9.12148967       7.29555559       8.98651498       0.33594889      -2.43881525       0.59135256 
O       7.59660390       1.85611392       9.59770076      -0.77308702       0.85913651      -0.07043628 
O       7.72315063       9.04540748       9.50156124      -2.84570209       0.13895939       0.59745283 
O       5.24359112       7.49880714       8.98394149       0.93799652      -3.52136462       1.12274726 
O       9.10422006       7.14230514       3.52388573       0.04366245      -0.55824868      -0.22857290 
O       5.41913330       7.17105029       5.83942677       1.46199933      -0.11612390       1.24286931 
O       7.16198442       8.95435392       1.45658020       1.01681396       0.79528837       1.08682421 
O       9.03389437       7.26508246       0.98229710       1.21470387       0.02858036       0.32670547 
O       6.90704783       5.49789708       9.78007378      -0.08418891       0.96012550      -2.11816771 
O       3.29004550       9.13323900       9.54948974       0.96888344       0.69233635       0.32854607 
O       9.02116185      10.93043395       8.90474034       0.63519995       0.74115525      -1.28011058 
O       7.37264343       5.38820857       6.87114086      -0.59723534      -0.35283176       0.75405887 
O       5.44928531      10.54148894       6.39939693      -1.34450244       1.10570677      -2.41912462 
O       0.11798396       5.21453000       7.14250848       0.33022116      -0.82575724      -2.72743623 
O      10.69918490       8.92693686       4.16400832      -0.05788295       0.67118778      -0.56570435 
O       1.62135456       7.06644679       3.69504398      -0.87255415      -0.43826975      -0.05886097 
O       3.21863374       8.98240446       4.33636436      -1.77729114       5.25277998       0.64364749 
O       3.49568655       5.48306014       1.39072270       2.95386587       0.18593931       0.89915302 
O       5.35076217       7.38022498       1.12319885       0.38251807      -1.27846781      -1.26241088 
O       9.03040138       0.03538646       3.53133496       0.79972006      -0.63673631       0.08565786 
O       8.94203488       3.67330193       8.79064940       0.35016368       1.80022474      -0.13149514 
O       7.22953035       5.44347436       1.54895960      -0.14669333      -0.87505617      -1.37814636 
O       9.06815422       3.37711217       0.82211244      -2.54017842       1.53000486       2.03846574 
O       8.75055358       3.79040163       3.51199443      -1.67454552      -2.26537033      -0.03392865 
O       6.97901024       5.64888742       3.85167410      -0.97942876      -0.42214330       2.01007311 
O       3.11886336       9.13155210       1.93617386       2.97210606       1.41325194      -1.39490985 
O       8.89826380       3.37438544       5.95985780      -0.02825674      -0.68233427       1.54074258 
O       7.23404806       1.50887818       7.05562809      -3.12390823       0.64544768      -2.89784047 
O       2.16852360       3.15878593       8.85943625      -0.28407812       1.81941328      -1.76874195 
O       7.27167293       8.94222322       6.79220363       1.13435259      -0.60207451       0.85986706 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01831247181434343 -0.005000756880349055 -0.012430449159878293 -0.005000756880349055 0.0006419865492023038 0.006556227736462051 -0.012430449159878293 0.006556227736462051 -0.008887049420862454" pbc="T T T" energy=-1061.29417466 free_energy=-1061.29417819 config_type=crystal 
Hf       2.18419649       1.54329908       2.52065970      -2.30949123       0.30515858       0.14296331 
Hf       3.38527340       7.11708859       0.14586793       1.62664762      -0.72887666       0.65465528 
Hf       5.41184307       5.71888881       2.85795071       0.21847050      -1.08275287      -3.08863094 
Hf       9.04541570       5.31388865       7.99334951      -0.45654581      -1.08268546      -0.56553387 
Hf      10.87661052       7.45682167       5.43031327      -0.79185682      -0.97020083       0.04909653 
Hf      10.71868438      10.68714097      10.39986321       1.17618386       1.35559996       0.51002276 
Hf       7.38048168       3.89456821       5.13054326       0.81934153       0.19589770       1.16550175 
Hf       7.15501290       7.32288774       5.35037957       0.14629995       1.08707625       0.63864368 
Hf       1.66629662       5.54387470       2.85449480      -0.24103252      -2.42834430      -0.40932138 
Hf      10.92734075       3.56138672       5.30197255      -1.85514820      -0.06742494      -5.51066566 
Hf       0.18032787       3.37383326       0.21495611      -1.94308947      -0.60239329       0.18026790 
Hf       1.49793324       5.02775518       8.01402472      -0.17062888       2.73230537      -1.54448164 
Hf       8.91910902       9.03892920       7.82057426      -1.61878587      -1.51654201       0.30709113 
Hf       1.85794729       1.24860722       7.77823556      -2.66699315       0.56763683      -1.15778968 
Hf       7.22843125       7.11608371      10.39313686      -0.41305570       1.02889392       0.17413933 
Hf       9.03838852       8.84048788       2.66543688       0.20399312       0.70958535      -0.28460051 
Hf       5.49096949       9.16069966       2.60533531      -1.57558523       0.36778700      -0.68299916 
Hf       5.05334927       8.97995875       7.84808732       2.20982952      -0.74271231      -0.15343525 
Hf       0.16640948       0.18292499       4.90749508      -2.62708833      -0.91396827       1.28131854 
Hf       3.74855048       3.70180704       5.28437476      -1.00544043       0.85869029       0.50381930 
Hf      10.77796631       7.12362516      10.47995527      -0.27749010      -2.16095460       1.71717239 
Hf       1.43367565       8.77142860       8.18313094       1.74680811      -1.50905395      -3.94466075 
Hf       7.38861553       3.41272706      10.31616376       0.51404384       0.63696554      -0.71708156 
Hf       8.90080384       5.45553856       2.44003289      -0.79640153      -1.29335515      -0.10981944 
Hf       3.43621837       7.38878523       5.31310388      -4.31832461       1.73591764      -2.99983311 
Hf       3.49492171      10.63450768      10.45240044       0.06777474       1.18567478       1.97473097 
Hf       7.24963856       0.27748645       4.75991588       0.38386092      -1.78425372       0.52670847 
Hf       5.46664049       2.12435438       2.48782810       1.40692962      -0.78743559      -1.02692582 
Hf       5.49032616       1.68615535       7.54503668       0.32596909       4.01959383       0.98340487 
Hf       1.53164190       8.95390922       2.53893690       2.01724891       1.28144790       0.84466293 
Hf       3.72472732       0.01651091       5.24159622      -2.75995341      -1.21278298      -1.51024998 
Hf       3.52752666       3.30746039      10.39500299       7.37824651      -0.17582691       1.21502947 
Hf       6.95056452       0.13609225      10.40454145       2.35509778      -2.92303671      -0.30090938 
Hf       8.98634763       1.71850853       2.42604991       1.81254413       0.86001405      -1.75396638 
Hf       5.32609692       5.27632075       8.17341837      -0.43512506       0.10756830      -2.25322424 
Hf       8.88412311       1.47564677       7.40630580       6.26095193       0.90646703       3.81463082 
O       0.02934324       9.02227181       1.38896530      -3.64896737       0.79429612      -1.13667276 
O       5.67528239       7.40051396       3.74597103      -0.73531066       1.31371720      -0.43750378 
O      10.94649852       5.37309970       4.36612737       1.64326974       1.29554736       1.41477830 
O       0.34076863       1.94544158       4.09232199       0.32019960       0.21884615       0.31918069 
O       2.00505920      10.67930140       3.86537817       0.51987240       1.36313228      -2.31377022 
O       1.73499523      10.88594723       1.39952054      -0.40240065      -0.20994265      -2.50927099 
O       2.04565228       3.15086102       0.98859893      -1.20727853      -0.91444107       3.90680353 
O      10.93198138       1.69891066       9.78034142       1.84657754       0.76862127      -0.27618073 
O       1.59550146      10.52768866       9.14634846       0.91076965       1.20703461      -0.76808546 
O       1.73162505       0.05325766       6.07689542      -0.04362680       1.70627454       2.71945851 
O      10.64191920       1.47792364       6.58652770       1.61077562       0.14786229       0.66698244 
O       2.21523779       3.78397441       3.96402465      -1.13459678      -0.13814874      -1.24376295 
O       1.53285801       7.16077312       1.17674010       0.94933772      -0.70944599      -1.12372377 
O       1.83479683       6.95671456       9.06751306      -0.61089434       0.39856074       0.66074550 
O      10.92725737       2.00705517       1.84926499       0.27670624       0.81915183      -1.92254137 
O       3.19696058       4.80829883       7.14632822       0.83826048       0.56750524      -1.27412194 
O       3.40914478       1.64909142       6.62772071       2.26008096       1.89499739       1.02419199 
O       5.09216266       3.41273341       8.87437084      -0.58765822      -2.26693318      -0.95871420 
O      10.81315151       5.50209772       1.88780096       1.30624034      -0.92892807      -1.46249218 
O       1.75512874       7.32439605       6.37057980       0.14323379       0.84285631       0.38960173 
O      10.82858676       9.13121290       6.62772985       0.65776498      -0.00012338       3.06605003 
O       4.09385194       1.98534125       3.98672585      -2.43790326      -0.42020850       0.52295468 
O       5.51042034       0.17277875       3.26326998       1.53798063      -1.64902200       0.63569930 
O       5.43803196      10.22137774       0.65517730      -1.43450947       0.11540558      -0.87215497 
O       3.88777889       1.09485094       1.36569247       0.33901452       2.71915977       0.97512313 
O       3.11921713       1.52346576       9.55214540      -0.48293482      -0.49668698      -1.16445742 
O       5.05346902       0.14957350       8.63428661       0.34061678      -3.07928680       1.19227598 
O      10.89195933       8.81733216       9.45484296      -1.31134665       0.72118189      -0.60595514 
O       3.70186006       5.64742873       4.55158110       1.55004342      -1.58609187      -1.18963387 
O       5.75149233       3.84408538       3.57864208      -1.50147258      -0.31298060       0.24922031 
O       5.61010723       3.44025302       0.61571002      -0.79521485      -1.34531125       2.53213338 
O       8.96608758       7.53963095       6.38029587      -0.45236723      -0.76965385      -1.56462992 
O       4.00770776       5.63569913       9.61256839      -0.27912559      -0.53082151       0.64588207 
O       5.41374109       3.97143814       6.45636273       0.37737495      -2.12219144      -2.37540106 
O      10.56453149       5.24894499       9.73566933       1.29345591      -1.89784536       0.37970191 
O       9.04124869       0.11943245       5.49908290      -1.08168490       0.52295677       2.23406371 
O       1.21350420       3.23556273       6.56863941       4.17443383       1.03294609       5.51183306 
O       7.14612408       1.32006368       1.41911807      -0.39900372       1.23110827      -0.54991892 
O       9.03014862       0.19321991       0.44210284      -1.90260287       0.02770496       1.07148996 
O       7.42720617       9.14786219       4.43377798       0.21792025       0.95238892      -2.87570390 
O       7.52374803       2.15012585       3.73024170      -2.84688810      -3.21473406       2.17639769 
O       3.27553657       9.69474057       6.87665508       2.87513622      -2.32173301       1.84431720 
O       9.05867454       7.09587066       9.03192855      -1.17333671       0.73442422      -1.20666580 
O       7.06664323       1.73113663       9.11995442      -0.12347339      -1.32456692       0.38697051 
O       7.53292084       9.11202215       9.57139909      -0.11517358       2.06852270      -0.24581200 
O       6.01100305       7.21748467       8.72757819      -1.64115753       1.54760366      -2.06311817 
O       9.00404968       7.06526606       3.58389122       0.87192174       2.42176972       1.13434880 
O       4.96343218       7.39909812       6.24164801       5.80037501       0.26488283       4.86315408 
O       7.23842191       8.81809864       1.81163206       0.92809878       0.59804442      -0.12599903 
O       9.05071468       7.35874114       0.78367404       0.45847494      -0.11873380       2.22002546 
O       7.01798643       5.04912596       9.22052581       2.46831750       0.39403223       3.04499299 
O       3.59995809       8.84528332       9.39419442       0.15089546      -0.48205164       0.15722069 
O       9.50859802      10.91019559       8.53587790      -0.70961394      -2.05164588       0.01880207 
O       7.31744392       5.33838857       6.86158751      -0.07394353       1.76229107      -1.50315809 
O       5.55913389       0.57236269       5.87053371       0.31669839      -0.87456377       0.11369571 
O      10.83314511       6.18109319       7.40709213      -0.11415443      -1.65896353      -1.73946049 
O      10.75557751       9.21168078       4.15465682       1.03261854      -3.02091029      -0.93432023 
O       1.81501982       7.24905975       3.66867811      -0.19933873       2.27664760       1.88484715 
O       3.96887739       9.13248511       4.43322559       0.65076594       0.49815768      -0.82017780 
O       3.62945164       5.37615204       1.76709357      -0.76991464       0.98114245       0.36043258 
O       5.43556566       7.18890134       0.58142798      -3.14264377       1.71612527       1.32845304 
O       9.46109215      10.92268346       3.20461140      -1.73859498       0.43330489      -1.54717418 
O       8.97517985       3.29414501       8.68524884      -0.11604528       0.51124834       0.23759137 
O       7.01961000       5.81081293       1.44338174       1.79368517      -1.85588400       1.53472891 
O       9.01585345       3.75535109       1.00565019      -0.82418302      -1.48689781      -1.56624643 
O       8.88835552       3.82877721       3.59492146       1.25639253       0.24392262      -0.12852778 
O       7.18667355       5.62554905       4.19384669      -0.12664888       0.36084056       0.52996996 
O       3.39967134       8.78636897       1.68361532       1.28438815       0.54917933      -0.54702807 
O       9.24089451       3.93197320       6.16791485      -0.98732111       0.08328496       0.80386716 
O       7.39717665       2.04517471       6.57653995      -5.90737718       1.25331896      -3.55109250 
O       2.13622400       4.00154720       9.49482490      -5.59679551       0.64799856      -2.30908878 
O       7.06790755       9.28602491       6.66390555      -0.90009486      -0.11336891       3.49680010 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0030913692508675508 0.0017011164465994435 0.021245814860912992 0.0017011164465994435 -0.018621665185142116 0.012426125204635118 0.021245814860912992 0.012426125204635118 -0.019579043104708874" pbc="T T T" energy=-1067.50353779 free_energy=-1067.50353932 config_type=crystal 
Hf       1.81713367       1.82681078       2.64887605      -1.00473806      -2.26339051      -1.54316951 
Hf       3.42644496       7.08692903      10.49537508      -1.07042095       2.18775740      -0.40022886 
Hf       5.34355870       5.58562123       2.41409398      -2.74341388      -1.01151049       3.89853365 
Hf       9.31469271       5.16860409       7.71506943       0.46798261      -0.20230693      -2.00382095 
Hf      10.74759146       7.18815896       5.34760615       2.78239638       0.34732018       0.54564579 
Hf      10.76468699      10.79966895       0.17924958       0.79999364       1.36042824       0.47374019 
Hf       7.12173558       3.74533478       5.58738650      -0.01974450      -2.09520724      -1.55850838 
Hf       7.16598435       7.46671734       5.40807304       1.40334804       1.15557477      -1.84729495 
Hf       1.94413979       5.61270128       2.49877756      -2.44372395       0.49455158       0.69015517 
Hf       0.01527387       3.93285648       4.97487698      -0.79031210      -1.39896347      -1.23793733 
Hf       0.13153730       3.49649368      10.54675609      -1.20072620      -2.07312078       2.81182914 
Hf       1.96637357       5.25773214       7.90407122      -3.15715931      -0.52281989       0.67456600 
Hf       9.22389650       8.76049769       8.32881988       0.21005965      -0.29922184      -0.75713850 
Hf       1.64658809       1.57702614       8.28010058      -0.99883583      -1.63751854      -2.95839042 
Hf       6.89809919       6.94526225       0.05960701       2.29106127       1.68378226      -2.62066429 
Hf       9.05307723       9.03542854       2.69213714       0.03745883       1.21815980       0.40840696 
Hf       5.24159965       9.17399663       2.26295375       0.49752193       2.15317621       1.69385489 
Hf       5.46884758       8.82208706       8.09095487      -0.87838441       0.25065326      -0.76041924 
Hf      10.55302123       0.00010080       5.40537891       2.30012924       1.92516291      -1.13583057 
Hf       3.33180747       3.73837674       5.03456955       1.24136200       0.33563700       0.81405716 
Hf      10.74203074       6.76989449      10.48578294      -0.19779525       1.99177345       1.05726978 
Hf       2.02763097       8.83711760       7.55952390      -0.38148394      -0.79793046       2.26015870 
Hf       7.29116464       3.35513279      10.14171052       0.10029899      -2.21376617       2.21504582 
Hf       8.88215015       5.60410246       2.46643596       1.35168626      -1.09297462       1.39665082 
Hf       3.76240149       7.66008472       4.94531476      -0.91828445       0.44598299       0.84721374 
Hf       3.41098779      10.76730426      10.51459370       0.40953997      -0.90274987       1.48967123 
Hf       7.30720083       0.09817387       4.85647705      -3.82858664       3.85615624       2.60463625 
Hf       5.44149910       1.89065654       2.47009095      -1.16347227      -0.27600337       0.94430272 
Hf       5.40438894       1.35301812       7.66214328       1.54244031       1.46250044       0.44516181 
Hf       1.73012616       9.40746987       2.64324842      -0.30482185       0.49965195       1.44199319 
Hf       3.37600288       0.16500284       5.52968538       0.91469537      -1.91301592      -2.78576594 
Hf       3.84408691       3.34447841      10.12186628      -0.99515843       4.09481324       1.41786879 
Hf       7.38717711      10.56956545      10.57181332      -0.98525943       0.59778377       1.11903518 
Hf       8.86488481       2.00308406       2.37356614       0.43259087      -1.53769931       1.20383800 
Hf       5.39676926       5.36108885       7.79634769      -4.79800458      -0.98761635       2.11803269 
Hf       8.97955392       1.51561710       8.03995704       1.01165913      -1.22742855      -2.53296169 
O      10.84039678       9.40832936       1.71165271      -0.83240240      -0.80928133       2.02300384 
O       5.42256341       7.52140115       3.64210550       0.64517946      -1.93203849      -0.38628222 
O      10.91269553       5.75078873       3.94313632      -0.44533969      -0.98723034       0.35563036 
O      10.53082185       1.63154386       4.28508220       0.55922603       0.21179929       1.33620829 
O       1.79562003       0.18193654       3.79945361      -1.99022254      -3.34513660       0.14809661 
O       1.69121691      10.77904471       1.04007624      -0.44458845      -0.06787791       0.72457608 
O       1.78550721       2.99662563       0.89923987       0.49431614       1.17459491      -1.15141175 
O      10.48872123       1.77209805       9.58330112       1.63341038      -0.02009760       0.52192420 
O       1.57765513      10.84518937       9.34584204      -0.77356551       0.74094284      -1.56892725 
O       1.75500998      10.48120848       6.43199682      -3.29942440       1.13342928       0.00721421 
O      10.90448653       1.60847687       7.02047671       0.37282107      -1.72599763       0.57929146 
O       1.68659206       3.63790704       3.48557041       0.28161716       1.80415247       0.88161061 
O       1.60539572       6.80981125       0.70035480       0.86563762       0.43827416       1.00392839 
O       1.73146630       7.04798373       8.74237355       0.46396259       1.55565858       0.56791591 
O      10.72987506       1.55362292       1.72533925       2.48328492       0.21722630      -0.44446538 
O       3.45783587       5.45098535       6.87891480       3.88395220       0.22387714      -1.53727832 
O       3.45108270       1.38434812       7.13470849      -1.59474052       1.15820945       0.47795696 
O       5.39616690       3.40350233       8.55921929      -1.09461620      -0.13376808       1.36579608 
O      10.71297762       5.44820023       1.47338805       1.02936392      -0.69149714      -0.97944264 
O       2.08266614       7.54214590       6.04869743      -1.31903199      -0.22961963      -0.72084494 
O       0.01280965       8.46961764       7.25007257      -1.67777527       1.25175646       0.09166055 
O       3.34821506       1.71562316       4.29973290       1.18562672       3.87972041       0.34791929 
O       5.79350859       0.01717024       3.05995698       0.21014878       0.10270276       1.38037545 
O       5.43401670      10.45432388       0.54323777      -0.67865829      -0.80053480      -0.01263320 
O       3.51945767       1.06652913       1.75683680       2.32911452       1.88147776      -0.12285894 
O       3.67270417       1.56537356       9.63371234      -0.56668107      -1.76375929      -1.11146838 
O       5.08714864      10.64882148       8.73029018       1.87923355       0.79927007      -0.75141158 
O      10.45363431       8.91052806      10.03962737      -0.51469175      -1.29215830      -1.93149876 
O       3.32332205       5.66228069       4.26717786       0.60828486      -0.73699183      -1.26666039 
O       5.04647997       3.78882528       3.45124874      -0.19783457      -0.24080890      -0.94693304 
O       5.44200976       3.42666758       0.53299418       0.54925891      -0.31996647       1.90304288 
O       9.01563455       7.12585745       6.21992392      -1.87679915      -0.78496842       1.37688592 
O       3.55923201       5.41243973       9.50624364       0.32786095      -2.44757870      -1.58791057 
O       5.06060543       3.70324665       6.26480020       2.11095751       0.32148859      -1.88612907 
O       0.37220392       5.11868779       9.45711480      -2.57817173      -0.03061633      -0.76798380 
O       8.79908242       0.06480660       6.27458122       1.53522120      -0.42213041       0.89221430 
O       1.60948384       3.66515834       6.25451611       1.89743221      -1.19945315      -1.25971173 
O       6.98894667       1.71691991       1.34461038       1.17559313       0.81369238      -1.59432075 
O       8.87907711       0.38334967       0.99530254       0.41013474      -2.42708346      -2.13246891 
O       7.44748310       9.24568119       4.55606622      -0.68717799      -4.78533663      -1.08374502 
O       7.25354568       2.12070680       3.92768239      -0.79597641       1.05834479       1.21406519 
O       3.82626413       9.18578057       6.71395113       1.53063679      -0.21852774      -0.31457198 
O       9.23770128       6.73712794       8.89430022       0.30462674       0.62068486       1.06058490 
O       7.20268508       1.62437655       9.08907388      -1.03916804      -1.61009974       2.84596349 
O       7.45839878       8.56259683       9.52288908      -0.79910984       1.24552483       0.28162666 
O       5.18805549       7.24087047       9.45359299       1.96858777      -0.36776080      -3.89373375 
O       8.61739031       7.36396387       3.54346711       0.21850708      -2.63551398       1.17726153 
O       5.45660896       7.33659260       6.40341639      -1.81949781      -2.40453232       0.32486863 
O       7.40470266       9.19645764       1.63423320      -1.78109380      -0.07937027      -1.41817755 
O       8.95882955       7.24781701       1.09705087       0.35484423      -1.23759944      -1.60069208 
O       6.80035721       5.14381538       9.71642446      -0.10187933       2.96400912      -1.10743805 
O       3.40468787       9.07777008       9.38594653      -0.77025412      -2.59659640       0.22865285 
O       8.85758143      10.65146768       9.02372147       0.67898249      -0.05644961      -0.22008373 
O       7.15704359       5.35540214       7.25283431       4.31661213      -0.83138631      -2.89420640 
O       5.39785522       0.34101865       5.91271373       0.35663557       0.35924564       0.04644019 
O       0.28232001       5.52301075       6.50468972      -1.77565287       0.29874384       2.30013294 
O      10.68602608       8.88270738       4.46329460      -0.21508485       3.92907068      -1.22936508 
O       1.87145056       7.38185545       3.40103022       0.65113826       1.57194959      -0.83461457 
O       3.79288163       9.49644475       3.95336907      -0.60386730      -0.95684297       1.28152815 
O       3.56958718       5.09542974       1.34797286       0.70567275       1.97583540       1.33735510 
O       5.29159582       7.37590251       1.07723852      -1.56869927      -0.74718084       1.47421861 
O       8.61449880      10.89007775       3.53479331       4.36280459       0.94972871      -2.77202372 
O       8.86427960       3.44422885       8.59216292      -0.07720784       2.36524605       1.51970380 
O       6.97458379       5.60839590       1.47913430       2.53860520      -2.05575466       1.99932661 
O       9.08410079       3.59524153       0.89721483      -1.82854707      -0.19552249      -3.15549782 
O       9.44624611       3.66655939       3.19523875       0.34663436       2.98720706       2.21885239 
O       7.23753908       5.28580470       4.29739218      -0.16703033       0.53523861       0.22471086 
O       3.33679080       8.89055691       1.61850451       0.75260333      -0.29037488      -2.47759324 
O       9.37805673       3.78315775       6.12685916      -2.66093852       0.90182546      -0.23546740 
O       7.35964348       1.96896554       6.83097004      -1.31180345       1.32299782      -2.09108774 
O       1.90959410       3.39580409       8.94669290       0.19995135      -0.07193964       0.16206991 
O       6.98590233       9.11783946       6.89909428       1.79613189      -0.78928548       1.31468508 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03876831227195498 0.00030706663273762335 0.014573613037956522 0.00030706663273762335 -0.024875062001653694 0.016350382317350066 0.014573613037956522 0.016350382317350066 -0.022766210195844096" pbc="T T T" energy=-1062.58991049 free_energy=-1062.58991266 config_type=crystal 
Hf       1.88321205       1.80765619       2.55170616      -2.59475870      -0.42921944       0.44033769 
Hf       3.40285537       7.10966536      10.55910646       0.89410288      -1.23130714      -1.31023574 
Hf       5.32815216       5.59788428       2.44041085       2.36313841      -2.05921085       4.47138606 
Hf       9.28576426       5.21016458       7.73495129       0.44182059       2.49166607      -0.71434241 
Hf      10.79914908       7.24820650       5.37204264      -3.82700828      -0.27790292      -0.88196767 
Hf      10.72495374      10.81015373       0.22549849       0.52968533      -0.09770053      -2.19805284 
Hf       7.07803801       3.84232124       5.60938821       6.73156612      -1.84519825      -5.89178589 
Hf       7.12548681       7.55206820       5.55945593       1.53658806      -2.16165397      -2.92502288 
Hf       1.95279602       5.52380013       2.55609274      -4.09307974       2.67255978       0.12165701 
Hf       0.01716323       4.00232124       4.92949296      -1.63206372      -1.32992125       0.69305813 
Hf       0.26582828       3.40971164       0.06041077      -3.32171515       0.41548546      -1.16168477 
Hf       1.95143966       5.24143432       7.88292047      -0.15145621       0.06485168       0.69724768 
Hf       9.11459155       8.82444950       8.28848857       0.56267225      -2.47536143      -0.71932123 
Hf       1.59752372       1.53527206       8.20939095      -1.14440935       0.84922346      -0.53042516 
Hf       6.84152777       7.06666459       0.00928369       2.80592706      -2.45693572       0.54822868 
Hf       9.04393083       8.96028955       2.58169715      -4.48876887      -1.09133500       3.76563682 
Hf       5.25899811       9.14675552       2.26117328       1.20006595       1.37991451       3.44146075 
Hf       5.53191130       8.86690444       8.10791312      -1.80711444      -1.95600840      -0.47228777 
Hf      10.65206467      10.91425041       5.34858880      -0.02066222       0.97192213      -0.84002779 
Hf       3.28291478       3.76912344       5.00451329       5.56409295       2.97007391      -1.39497403 
Hf      10.77772561       6.76912132      10.52454797      -1.22886901       2.68357773      -0.26254639 
Hf       1.86315380       8.81449203       7.56197356       0.26770791      -1.43819856       2.13961363 
Hf       7.32697696       3.26956818      10.16361731      -0.84220030       2.18658344       1.21057827 
Hf       8.87350423       5.52264614       2.48251147      -1.38358850       5.89721698      -0.04905554 
Hf       3.78426430       7.66750708       4.98526609      -0.54729614      -0.95783570       0.67537448 
Hf       3.41562350      10.72721440      10.55060762      -1.29733122      -3.40948565      -0.07847951 
Hf       7.25218188       0.09692729       4.84170433       1.46843903       0.22789253      -1.10919930 
Hf       5.37792943       1.92127319       2.40217813       2.77273548       2.34262219       1.65971625 
Hf       5.44940846       1.34260302       7.63025426       1.70319351       2.65960311       2.38833581 
Hf       1.77719960       9.30810541       2.65119445      -1.35831830      -0.45667473       1.91519300 
Hf       3.45813606       0.15677762       5.45722961      -0.43220913      -1.47683303      -0.43380397 
Hf       3.86890006       3.28490143      10.09655289      -1.26334269       2.71227203       2.91808441 
Hf       7.32595378      10.55195477      10.55324414      -3.58200159       1.74453832      -2.31734593 
Hf       8.87157783       2.10503062       2.36432507       0.11837410      -1.56767162       1.55779868 
Hf       5.38896541       5.37234198       7.78607976       4.24870210      -0.54487623       3.12277571 
Hf       9.02614541       1.49721891       7.94198019      -0.35417159       0.24578801      -0.74100359 
O      10.60669358       9.62982638       1.81865453       3.55210555      -0.68737468       0.37825272 
O       5.43860759       7.53883280       3.70219028      -1.25073685      -1.18295153       0.67172421 
O       0.26218037       5.62418317       3.85503403      -0.76604703       2.29070191       3.59992611 
O      10.37073147       1.58070035       4.28117657       0.82336112       2.18112240       0.59008727 
O       1.51420422       0.09194845       3.74026900       1.21640771      -0.12303834      -0.12158748 
O       1.72803368      10.60064576       1.10494110       0.19613560       0.90765230      -0.78372459 
O       1.99456653       3.21076569       0.84664024       1.67535926       0.13589916       1.44949852 
O      10.43655325       1.81658620       9.56716694       1.82633258      -0.47687425       0.13455556 
O       1.53582720      10.83802908       9.11394181      -0.20070963      -1.95093254       1.59475854 
O       1.70207836      10.42249528       6.37331134      -0.23932973       1.29369408      -1.31677486 
O      10.93796303       1.24926842       7.09560270      -1.09133144       0.23591428      -0.80200538 
O       1.64039214       3.70322518       3.39146050       1.42313459      -1.99635630       1.48287562 
O       1.66079528       6.97335146       0.65147596      -0.50561311       0.67992494       1.92504682 
O       1.80319304       7.00763399       8.76825601      -0.73635710       0.53868777      -1.13552802 
O      10.94946014       1.75050038       1.53903700       0.55340271      -0.29539688       0.36351621 
O       3.78035159       5.52080235       7.02044525      -6.07243785      -0.38089796      -2.09125549 
O       3.40592886       1.26920122       7.53851164       1.11479271       0.17583628      -4.95473230 
O       5.25587893       3.39046162       8.81014990       1.73765693      -0.92759967      -1.88659929 
O      10.90121321       5.61322399       1.49305053      -0.33826653      -2.58667490       0.74314267 
O       1.58805379       7.51609012       5.93499115       5.20182108       1.43161110       1.77126605 
O      10.70148040       8.42090157       7.22930500       1.82499395       1.82213328      -0.50291848 
O       3.47167702       1.93157600       4.42035918      -0.54367708      -2.99615476      -0.17895298 
O       5.73339422       0.14996693       3.37837004      -0.26202040      -0.45434157      -1.12408399 
O       5.20624343      10.43315952       0.66747643       1.18623428       0.24224970      -0.00539691 
O       3.55104031       1.29517986       1.77632294       1.36728658      -0.48838480      -0.76437919 
O       3.66446241       1.39092238       9.70771272      -0.25086840       1.84111238       0.46696886 
O       5.26893827      10.68615964       8.71726934       0.46867942       0.05784384       0.72844893 
O      10.54120190       8.85511338      10.04586936      -0.42379004       1.28341323      -1.02262536 
O       3.36455539       5.71968640       4.62095010       1.06859297      -1.79797736      -1.46067052 
O       4.98982189       3.82275602       3.54215007      -0.48263597      -0.68315149      -1.30954708 
O       5.39918473       3.44643133       0.89300234      -2.10416132       0.68724074      -1.15314582 
O       8.88985847       6.94529687       6.36689802       0.90860957       1.74558055      -0.07952169 
O       3.49418032       5.19777653       9.36732335       1.00805990       0.87768231       2.08503947 
O       5.48379211       3.80363078       6.37032534      -7.02708404      -1.43084010       1.50197962 
O       0.10032431       5.12143293       9.54709195       0.27939091      -2.22348022      -1.30808458 
O       8.81880015      10.61735628       6.25674905       2.12688852       1.06117984       0.06953685 
O       1.84649543       3.83440531       6.12788008      -3.27314245      -1.45947133       2.29221671 
O       7.11796234       1.96570799       1.17277484      -0.36216044      -1.93404315       0.81432318 
O       8.80992020       0.22070424       0.75749949       3.86492331       1.58584617       1.87294154 
O       7.35439490       9.05548810       4.29700294      -0.38114944       2.24248949      -0.04936204 
O       7.25898873       2.29849025       3.71421328       0.15501461      -0.26190747       0.74898126 
O       3.90572109       9.03636374       6.82929597      -3.13274722       1.43320667      -1.12287285 
O       9.37950413       6.85281826       8.99475479      -1.80164711       0.87412996      -0.12019215 
O       7.07901704       1.54517595       9.18705041       0.69491459      -0.78925827      -0.65931821 
O       7.26130933       8.75376216       9.52307360       0.30449608      -0.20871171      -0.22782646 
O       5.33259777       7.20214561       9.38359901      -1.00286853       0.29971035      -1.90356816 
O       8.65439705       7.19364923       3.76498716       2.77464426      -0.02902360      -1.28990233 
O       5.27472314       7.30666355       6.54751587       2.37498078      -1.93242740      -0.51920675 
O       7.28103286       9.33235937       1.47035442      -0.77069438      -2.06760106       1.14661400 
O       8.87590808       7.16641251       1.15039304       0.74172080       1.26224866      -1.50619730 
O       6.80990372       5.32462674       9.50780727       0.81538886      -0.23992666       1.26045533 
O       3.31439564       8.69246312       9.44377892       0.22599377       4.18296253      -0.29061722 
O       8.85961344      10.61887161       8.99931049       0.49848898       2.07252327      -0.41816805 
O       7.42583678       5.25190256       6.84069505      -2.01939509       1.26681306       3.52697809 
O       5.47783982       0.25490449       6.03317484      -1.64036055       0.06161840      -1.24556749 
O       0.17254046       5.43136885       6.73751520       0.03797138       1.40501383      -0.40627343 
O      10.68451952       9.11629247       4.37561492       0.22707263      -1.51815755      -0.34528756 
O       2.20658244       7.22850542       3.54866979      -1.01625156       4.08011076      -2.10308072 
O       3.77896039       9.59021376       4.06941713      -1.22068249      -0.54463905       0.12560775 
O       3.57632348       5.61586855       1.58108129       1.32446550      -0.99129878      -1.39109998 
O       5.25505909       7.30412110       1.30920975       1.74142428       0.30317686      -2.74438094 
O       8.74208646       0.01065350       3.31638012      -0.60571755      -0.04963627       0.41087521 
O       8.83813651       3.64417398       8.72316599      -1.48472228      -3.45747968       1.04550706 
O       7.11718019       5.39313373       1.56886346      -1.51880249       0.21355960      -0.84309560 
O       9.04598158       3.40401605       0.71185910       0.53481869       0.75861080       0.20602170 
O       9.57992607       4.05558351       3.23002640       1.23603143      -6.95315146       2.67234782 
O       7.16622352       5.44846175       4.43029794      -1.12775015      -0.03949155      -1.54784142 
O       3.40375399       8.68435513       1.65723924      -0.32662028       1.24583758      -1.16362332 
O       9.45155243       3.85246726       6.25254167      -0.66572890      -1.76907829      -2.28701486 
O       7.47991111       1.86090026       6.50025487      -0.61516638      -0.34706126       1.06470366 
O       1.89828959       3.43458318       9.02014280      -0.87502859      -1.79067594      -1.03506957 
O       6.96003883       9.18853984       6.84003095       1.38929115      -1.06058107       0.97199813 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008838224173393206 0.006503076430361054 0.017049242321586625 0.006503076430361054 -0.03783989665242281 0.007759090164349501 0.017049242321586625 0.007759090164349501 -0.028461795783307937" pbc="T T T" energy=-1060.78448914 free_energy=-1060.78455066 config_type=crystal 
Hf       1.61561460       1.82584545       2.81194383       1.29918282       1.60886833      -2.25201277 
Hf       3.45982909       7.15607081      10.29313550       0.56664304      -0.50946551       1.31454290 
Hf       5.24947373       5.44202061       2.55930387       0.15013315       3.93364289      -2.64430710 
Hf       9.33476990       5.11572463       7.56738734      -0.34378074       3.67009902       1.78475116 
Hf      10.73118989       7.21150806       5.32892270       4.16689425       2.87999949      -1.72168934 
Hf      10.94704621      10.80481586       0.04675984      -0.36774287      -2.99304702       1.08404103 
Hf       7.24616014       3.48896625       5.37352262      -0.86664954       3.05073150       1.06660611 
Hf       7.29323730       7.13580057       4.98937643      -1.37276441       5.53686330       3.51039324 
Hf       1.77517680       5.77853699       2.38932416      -0.10308373       0.54286427      -0.54919483 
Hf      10.89702495       3.62430243       5.03372359       7.24661890       2.65852693      -5.16426994 
Hf      10.68235495       3.61697308      10.38195462       3.50296366      -2.60684879       2.96810013 
Hf       1.89717416       5.28935850       7.88707694      -0.57435318      -1.72537867      -2.14372098 
Hf       9.36923036       8.58016554       8.27078374      -1.83464619       5.91235073      -3.11305866 
Hf       1.67600188       1.59122643       8.18727200       1.02895531      -0.97555457       0.34215038 
Hf       7.18765301       6.86940148       0.07346340      -3.61948982       1.01862700      -0.76560495 
Hf       9.04040497       9.26792428       2.96717750       0.92338668       0.60806068      -1.66837702 
Hf       5.25887365       9.30070617       2.29213949      -0.32896556      -2.11447201       0.96437512 
Hf       5.42109651       8.77679386       7.89795477       3.57899704       1.67015397      -3.08583333 
Hf      10.56544040       0.23388036       5.49175526       1.79848362      -3.05065775       1.46846248 
Hf       3.47716368       3.72102013       5.14010001      -1.69528143      -1.03523023      -2.01098914 
Hf      10.69324861       6.86522834      10.41919247       2.76627151       0.65727478       2.63521559 
Hf       2.26407986       8.90802373       7.67767724      -4.35178776      -0.51902591      -0.81695098 
Hf       7.14029822       3.43532490      10.19474827      -0.12440254      -1.93511584       3.32617186 
Hf       9.03648963       5.63229379       2.53501831       0.35878748      -4.11482335       4.10417567 
Hf       3.76082690       7.51445844       4.87066687      -2.81465474       4.16101721      -0.58396631 
Hf       3.44984412      10.83564516      10.54508277       0.23882167       0.06773306       1.75845534 
Hf       7.23039127       0.20302586       5.03097515      -2.51813984      -2.14249742      -0.92877858 
Hf       5.55211318       1.81182955       2.64108382      -2.76379320      -0.85792596      -3.52077584 
Hf       5.31021894       1.55447826       7.74390314      -0.69271174      -1.80194878       0.82141079 
Hf       1.63590642       9.61064144       2.61663563       1.22069590      -5.38474330       1.40431372 
Hf       3.16993092       0.15982689       5.49565557       3.65783540      -0.05970985      -3.29696243 
Hf       3.69708281       3.65236710      10.34826016      -2.77060276      -2.16073482       2.06854614 
Hf       7.40843099      10.59710138      10.61720649      -0.98221951      -0.31881779       1.05225177 
Hf       8.94631463       1.72586811       2.48403950      -1.46273894       2.18943878       0.09967152 
Hf       5.28817591       5.25800396       7.81673677       0.31465718       0.45914916      -1.43446514 
Hf       8.91154488       1.52837712       8.15107515      -1.15866975      -2.96871075       2.13067570 
O      10.84047972       8.91923545       1.86133411       1.14478873       0.52127735       1.69393872 
O       5.55760082       7.57577863       3.63353704       0.46578843      -0.70428003      -1.39188079 
O      10.54812543       5.62298524       4.11012642      -0.28565332      -1.57087810      -0.89075833 
O       0.63590103       1.78696008       4.69580621      -2.54768666       2.10879355       0.22094949 
O       1.63630544       0.03733301       4.10670133      -0.24092682      -2.09325609      -1.58282177 
O       1.81839953       0.17224530       1.41226396      -1.88460813       0.87059616      -2.08419827 
O       1.81851008       3.15315564       0.73510292       0.19595944      -0.50296987       0.70220670 
O       0.08472560       1.59512261       9.90351633       0.19527099       1.61169786      -1.05504293 
O       1.73108218      10.43860476       9.12197818      -0.07984969       1.56707980       1.33023346 
O       1.71315532      10.87383570       6.70808275      -1.97913437      -0.42591992       0.49526379 
O      10.65147239       1.64139779       7.49378120       3.81049757       0.16409285      -3.42486758 
O       1.41130317       4.00885770       3.38019685       1.34558370      -1.87548091       0.52670648 
O       1.69626018       6.93143731       0.56973353      -0.43937881      -0.18909630       1.03752503 
O       1.88292960       7.00801296       8.79319154      -0.56782313       2.58332885      -0.45314774 
O      10.70365987       1.57408829       1.97581120       4.46131810      -0.81204602      -1.14166059 
O       3.46402787       5.06640346       6.59785853       1.45310330       2.00800940       1.33889693 
O       3.40882004       1.68788377       6.80405146      -0.39501592       1.68429639       0.17258400 
O       5.06469038       3.30768345       8.82350428       1.72471537       1.37561564      -1.44600372 
O       0.10122336       5.18941611       1.19295347      -1.92727894       0.82643799       0.99765416 
O       1.79082996       7.47784908       6.08023824       2.66847293       1.42032426       0.61571538 
O      10.88801353       8.96201238       7.10425991       0.20630340      -0.32690202       0.61180265 
O       3.50218872       1.74794095       4.05156913      -0.17841367       1.25595489       0.16364508 
O       5.96176076      10.82699266       3.37099298      -0.93350949       1.48516034      -1.03683016 
O       5.24488864      10.12991705       0.48389394       2.40788517       1.16806836      -0.85169420 
O       3.91038736       1.28838572       1.29416886       1.01048609       0.02794751       1.38684319 
O       3.51659498       1.46923926       9.25732596      -0.13581343      -0.19440394       0.37395707 
O       5.65435073      10.65292494       8.46101265      -0.13663489       1.46045240       0.61820505 
O       0.00571268       8.81100704      10.11572389      -1.78730947      -1.27228167      -2.23865159 
O       3.60073563       6.02043222       3.72692524      -0.56683215      -4.71731768      -1.28126751 
O       5.19472594       3.68540568       3.19519081      -0.85554918      -0.73789069       2.13358709 
O       5.48890571       3.12240862       0.77852791       0.46472697       1.40831997      -1.17982162 
O       9.11617700       7.04071092       6.30659757      -2.65977742      -1.47452397       1.60308293 
O       3.60877449       5.36238232       9.06366430       0.58935097      -0.71342311       2.36773545 
O       5.27517081       3.68746979       5.80589461       3.08840322      -1.30754514       1.06172663 
O      10.77890426       5.16169765       9.21368339       0.68698197       1.22767804      -1.78226436 
O       8.65431433       0.43259152       6.36897248       1.56644579      -0.53406526       0.66938914 
O       1.73495184       3.68941547       6.07282590      -2.18760966      -1.07242838       0.30777008 
O       7.29931974       1.48622205       1.57923365      -2.47644371      -1.76107934      -2.25308352 
O       9.18779034      10.38768796       1.11713394      -1.90916292       2.36483542      -0.63863091 
O       7.55595484       9.28422593       4.28306237      -0.59192052       0.80770211       3.49305713 
O       7.15163560       2.03629421       3.95335217       0.24048777      -0.09325153       2.83216303 
O       3.93191952       9.33210606       6.47544572      -0.99446831      -0.59480603       0.21569178 
O       9.16146077       6.92071248       9.02881011      -1.04436434      -3.85637275       1.28371662 
O       7.17915412       1.48539071       9.60823314       0.91175914      -0.61683643       0.22792146 
O       7.21299578       8.76648361      10.01274716       0.88427853      -0.49452855      -1.52656026 
O       5.21884634       7.08460909       8.72513830       1.13176299      -3.26988633       0.71818985 
O       9.00674113       7.45303571       3.77538519      -0.34923122      -2.85968083      -1.75782454 
O       5.25191374       6.98504655       5.87234436       2.56936498      -0.76180291       3.69834301 
O       7.18311635       8.76455042       1.85854124       1.07187319       0.45288683      -0.40161764 
O       8.89621393       6.64019385       0.98804984       3.10114225       2.76707558      -2.78589984 
O       6.73486717       5.16856651       9.42281545       0.98076737       1.28172609       0.20405787 
O       3.76618931       8.75217518       9.01144434      -2.36268982       1.97857413       1.99124641 
O       9.39950672      10.60800161       9.04432866      -1.67737688       0.34697242       0.82302549 
O       7.11800101       5.10490909       6.78221376       2.12673247      -0.28641916       0.70208828 
O       5.36615304       0.51903108       5.91805352       1.79129195       0.09131803      -0.49909697 
O       0.28559027       5.68501943       6.65315282      -2.23412336      -1.25696132       1.25319236 
O      10.40944000       9.33051744       4.61604184       0.61111870       0.17805318       0.17576758 
O       1.58765631       7.45175046       3.55687570      -0.26564104       0.05727254      -1.37998320 
O       3.66698711       9.42791552       3.67759956      -0.74016049      -0.62338810       1.68211086 
O       3.45627814       5.24791622       1.06470087       0.97718310      -0.09543180       1.75082542 
O       5.27012557       6.91833262       0.84375479      -0.52022872       1.10950936      -0.41318586 
O       9.28890349       0.48519566       3.99840563      -1.56116985      -0.95305357      -0.98487861 
O       9.07710407       3.41664098       8.88708897      -0.51628152       1.31499567      -0.67023465 
O       7.01899690       5.37639384       1.55009276       1.40435124      -0.86675059       1.02034995 
O       9.05570536       3.37958428       0.77734851      -2.30292632       0.18526046      -0.67213342 
O       9.10108434       3.49771516       3.23482157       0.70462776       2.44591574       2.74136383 
O       7.22222566       5.47980708       4.25410164       0.45330716      -5.03311170      -2.51190142 
O       3.15349725       9.06662991       1.20530341       0.28091305      -0.85245736      -0.56419984 
O       9.51437019       3.89081031       6.12486346      -6.92285216      -1.70901307       2.09088140 
O       7.27156326       2.17313936       7.35425314      -2.51558464       2.59092898      -4.17974841 
O       1.89218611       3.51983543       8.95213038      -0.59673690      -0.26094882      -1.53768804 
O       7.35794289       8.47307382       7.43454854       0.59377555       0.65976375      -0.96787485 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.005131127925144169 0.005514687685049512 0.009858856024320786 0.005514687685049512 -0.03814041522431383 -0.0011403922428275643 0.009858856024320786 -0.0011403922428275643 -0.023442201978484893" pbc="T T T" energy=-1060.10115812 free_energy=-1060.10123225 config_type=crystal 
Hf       1.58913745       1.84835269       2.82419928       2.54314287       0.44347515      -2.91128314 
Hf       3.47329237       7.16751413      10.25630336       0.23464802       0.75579741       1.86547604 
Hf       5.22981757       5.42654033       2.57349252       0.96469729       1.78042554      -2.59114508 
Hf       9.32094584       5.13678382       7.54944654      -0.47012569       2.65890374       0.84359810 
Hf      10.75837107       7.24722593       5.31984883       2.85861996       2.25783246      -1.07081800 
Hf       0.02799444      10.78597427       0.02096166       0.49519715      -2.51651649       1.22083235 
Hf       7.28085012       3.47324735       5.32493226      -0.69728543       3.42645255       2.32258363 
Hf       7.30460053       7.08165799       4.93365092      -1.26403139       3.18728775       3.33242904 
Hf       1.73798611       5.79033036       2.35742653      -0.26689415       1.20547168       0.48438953 
Hf      10.91134192       3.57897329       5.01829964       2.72697369       4.53180503      -1.43867363 
Hf      10.62424421       3.62817505      10.37810511       3.33397748      -3.38397723       2.82682656 
Hf       1.87460951       5.29367746       7.85634850      -0.40490494      -2.52902575      -1.68653905 
Hf       9.36293219       8.57567216       8.22778762      -2.47724481       4.02156318      -1.34174187 
Hf       1.67910889       1.58875333       8.14781641       1.53916330      -1.90744258       1.02540621 
Hf       7.22754962       6.88848212       0.06678339      -1.45713719      -0.82393964      -0.68348390 
Hf       9.03194278       9.32398821       3.00403112       1.45417428      -2.03452282       0.07126146 
Hf       5.27599053       9.31114581       2.29265925      -2.03115730      -2.47814281       0.38832243 
Hf       5.46206121       8.77979548       7.82809906       2.14926171       0.96370023      -1.45696095 
Hf      10.59798465       0.27328383       5.51854406       2.92448830      -3.68112166       2.02394679 
Hf       3.49423608       3.71985244       5.15662799      -1.69627938      -1.78009862      -2.87003330 
Hf      10.71362983       6.88076866      10.41829187       1.43661469       1.11320700       2.16057189 
Hf       2.24845748       8.92101317       7.70057264      -3.68260032      -0.21978818      -0.57783763 
Hf       7.09592390       3.42901162      10.22391924      -0.14927024      -0.68243047       3.46318283 
Hf       9.08473569       5.58469479       2.58370178       0.33045242      -2.70927679       1.78746048 
Hf       3.75792958       7.47787428       4.85644558      -2.47153354       6.58083887       0.94022260 
Hf       3.47027367      10.85372596      10.56980306      -0.69796470      -0.83751627       0.99350189 
Hf       7.18266179       0.20328277       5.06897892      -1.03307708      -1.17710648       0.55748562 
Hf       5.56209442       1.78726893       2.64439114      -4.89320739       1.67763155      -2.72399107 
Hf       5.27901439       1.59919254       7.76096481      -0.02180867      -0.97747890       0.96556830 
Hf       1.62681831       9.59895182       2.61161311       4.75907773      -3.79016718       1.31950436 
Hf       3.15163670       0.17472727       5.45827965       3.65740572      -1.13205300      -4.11114528 
Hf       3.64677023       3.70025380      10.42124036      -2.20500232      -3.46928210       1.50294837 
Hf       7.38839509      10.59077692       0.00011926      -1.39569784      -0.54300497       0.43205121 
Hf       8.97381977       1.70054836       2.51545393      -1.73940426       2.27686699      -2.24723586 
Hf       5.27846648       5.22626366       7.78747875       1.29474461       0.43003164      -0.40493086 
Hf       8.88775667       1.51737368       8.17863658       1.20614281      -3.11247490      -0.56451442 
O       0.06995055       8.95277998       1.97448396      -5.29452946      -1.02001288      -0.76482735 
O       5.60364505       7.76181446       3.62157772      -0.22832331      -2.73252389      -0.17231019 
O      10.60102801       5.60036187       4.09488220       0.04376828      -2.07100726      -0.41318766 
O       0.73784037       1.81040549       4.72311222      -2.23289267       1.51983136       0.19932853 
O       1.55545750      10.91823839       3.99291246      -0.32222478       0.92773999       1.95373922 
O       1.75893595       0.23305154       1.38356875      -0.82876106      -0.29571786      -2.22850675 
O       1.89895056       3.15530521       0.77900228      -0.01425341       0.22240269       0.11283168 
O       0.13994690       1.63806728       9.94235565      -0.25100242       0.59708303      -1.32482298 
O       1.83820929      10.32926114       9.16110523      -1.30315368       2.55996416       1.81903209 
O       1.86992505      10.89347367       6.80358368      -3.37722331      -0.92283632       0.00856977 
O      10.80805938       1.63801403       7.37745944      -0.38349222      -0.41767296      -1.78320881 
O       1.44564716       3.93406218       3.28875790       0.69357512      -1.19201956       1.14557230 
O       1.57127764       6.97943467       0.59627128       2.17685081      -0.38902211       0.06342839 
O       1.86285109       7.04303809       8.67976172       0.23901069       1.95266366       0.56419483 
O      10.78817533       1.55606819       1.89750396      -0.05037922      -0.29685253       0.72994651 
O       3.52115563       5.02514524       6.62695521       0.19310497       2.72652157       2.44811426 
O       3.48053933       1.68582733       6.77151131      -1.56067941       2.67364005       0.24818869 
O       5.08468782       3.31187839       8.84645952       1.08032164       2.06259424      -0.80743558 
O       0.08981159       5.33301071       1.27469622      -2.41006961      -1.56599395       0.56415833 
O       1.82671535       7.59864424       6.03787626       1.52483413      -0.01933460       0.91067965 
O      10.84346862       8.98017623       7.09855639       0.93236467      -0.50385383       0.29274797 
O       3.52615924       1.69488016       4.02787602      -0.54278290       1.38911911       0.18309821 
O       5.78681710      10.88740350       3.27550035       1.18864200       0.65571252       2.04629359 
O       5.31593512      10.17140633       0.48145012       1.81570844       0.57182665      -0.50963527 
O       3.89263010       1.28638263       1.20979894       1.64053261       0.78239099       2.53761040 
O       3.49448555       1.44484025       9.30074415       0.37564110       0.19559403      -0.53362123 
O       5.76950804      10.76973354       8.45652785       0.18367265      -1.04742329       0.47705224 
O       0.08602673       8.80616339      10.02993606      -2.40251855      -0.89585022      -1.30201541 
O       3.57734490       5.95518825       3.85195056       0.03267750      -5.45534084      -2.49320316 
O       5.15542918       3.69493291       3.42678716      -0.79458650       0.00418181      -0.39635093 
O       5.46471037       3.14329404       0.78355798      -0.09407471       1.57111700      -0.19790587 
O       9.01060575       6.91172166       6.39549906      -0.03369681      -0.85488197      -0.65011366 
O       3.60282483       5.40188100       9.23208963      -0.36813049      -1.56761590      -0.48420495 
O       5.23067761       3.66682584       5.83570598       3.71471549      -1.67906698       1.77711675 
O      10.80983644       5.19011434       9.24224107       0.33882698       0.92984592      -2.24017356 
O       8.81970468       0.38475160       6.43261064      -1.91438380      -0.58825676       0.08560990 
O       1.64945593       3.79607827       6.05714951      -0.56495673      -1.01128486       0.16692264 
O       7.11509427       1.33819389       1.57173616       2.79499177      -1.43575765      -1.82252083 
O       9.21320300      10.30206583       1.25043829      -1.66999890       3.07208054      -1.80331081 
O       7.57260807       9.29287547       4.48268583      -0.17319863       1.01092030       1.37368157 
O       7.20028451       2.11325661       3.89235489      -0.47030455      -2.39808074       2.13170188 
O       3.77271021       9.25464922       6.45444686       1.83400843      -0.02318706      -0.16700444 
O       9.04566451       6.91210216       9.07651742      -0.03245837      -2.50472199       0.52357655 
O       7.25817799       1.59790390       9.55225743       0.72314423      -2.60415692       0.89524134 
O       7.17446856       8.71682335      10.02030013       1.09314312       1.78046019      -1.22410635 
O       5.23975521       7.06927365       8.80318684       0.75557753      -1.66493221      -0.97159627 
O       9.12831263       7.34534042       3.74219784      -1.86285800       0.09645126      -1.08171970 
O       5.34927204       7.04420359       5.89112591       1.26867394      -0.46091061       2.57347991 
O       7.21861325       8.72127039       1.94781899       1.29043209       0.99969389      -0.33147081 
O       9.02148714       6.63570485       0.97939124       0.43952747       1.85421054      -1.32166073 
O       6.82522492       5.13376533       9.40950124       0.68275428       1.67291089      -0.73041120 
O       3.84597222       8.87664783       9.00696454      -1.85187676       0.50162329       2.08398134 
O       9.44484999      10.60387208       9.08779107      -2.09823252       0.31895203       0.81082307 
O       7.03443916       5.03381637       6.65661235       1.86570566       0.89089973       1.72718182 
O       5.34650488       0.54017539       6.02421927       2.70486830      -1.21615597      -2.56051462 
O       0.25340658       5.66570948       6.58293117      -1.84520754      -0.88340624       2.25937194 
O      10.41710580       9.30707577       4.72583239      -0.39605052       0.45606822      -0.81805105 
O       1.55976814       7.49981224       3.67184725      -0.09093795      -1.27967069      -2.07259851 
O       3.56701964       9.47176307       3.65564643       1.10238070      -1.02316412       2.15385861 
O       3.39765226       5.32781822       1.04585842       1.27699355       0.37650542       2.77030421 
O       5.38921115       6.88531672       0.78893784      -2.76725532       1.36747658       0.38366712 
O       9.24532008       0.52731261       4.14249034      -1.66315138      -0.32303267      -3.11381133 
O       9.10278898       3.30112913       8.84351454       0.64121759       3.99489822       1.33512352 
O       6.97216263       5.30313172       1.49268117       1.85376737      -0.78162255       1.42892654 
O       9.09508725       3.25419976       0.90945795      -1.94449048       0.45313850      -2.10258953 
O       9.01836731       3.54862890       3.21895226       1.45482767       0.60231225       2.80256105 
O       7.24456385       5.33607192       4.18340349       0.29237370      -1.16644388      -1.72224166 
O       3.01140341       8.93352492       1.30922123       3.00976170      -0.36419108      -2.55973053 
O       9.39844870       3.70212564       6.24497658      -2.21450826      -1.06340092      -1.29385860 
O       7.32545714       2.30587426       7.29617746      -2.65884073       0.62833268      -3.89109754 
O       1.78190148       3.38586766       8.89177987       0.38777497       3.19429291      -0.92846375 
O       7.37936340       8.37949501       7.41542825       0.12336599       1.53283578      -0.59603099 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007685097891299851 -0.004885945849148169 -0.007948707660982492 -0.004885945849148169 -0.002770394245163611 0.009504194045970192 -0.007948707660982492 0.009504194045970192 -0.008032560332564304" pbc="T T T" energy=-1061.82273894 free_energy=-1061.82274721 config_type=crystal 
Hf       2.18844884       1.54501643       2.51720931      -2.51161647       0.35868055      -0.15573115 
Hf       3.38078528       7.12475407       0.13662495       0.87277548      -0.26557777       0.92394309 
Hf       5.41295467       5.69148062       2.87334161       0.30137507      -0.76689457      -3.23909405 
Hf       9.05779806       5.32652990       7.99845430      -0.35533000      -1.12023386      -1.29336731 
Hf      10.86744189       7.47075912       5.43184788      -0.50612903      -1.38467318       0.49186340 
Hf      10.72225484      10.68418164      10.43179198       1.17445433       1.06592610       0.21117063 
Hf       7.36263622       3.89039639       5.13627282       0.85886990       0.28399146       1.75812593 
Hf       7.16558686       7.35361143       5.36918929      -0.09982106       0.27780247       0.83995702 
Hf       1.66845111       5.53865494       2.84043656      -0.21731483      -1.02283121       0.06321232 
Hf      10.92768477       3.58996808       5.28331409      -2.56648524      -0.57094120      -4.86380528 
Hf       0.21895840       3.36909512       0.22764310      -2.82253734      -0.26730703      -0.74563841 
Hf       1.51268155       5.01512423       8.01236553      -0.86664579       4.13553200      -2.92089156 
Hf       8.92865147       9.04378501       7.83545295      -1.61095200      -1.85197946       0.26215722 
Hf       1.82748633       1.24027486       7.78382609      -2.25234525       0.92466643      -1.68824991 
Hf       7.23034581       7.10959633      10.38719291      -1.39720561       1.03930406      -0.05222251 
Hf       9.02451483       8.82785068       2.65584495       0.60001194       0.31346575       0.17053905 
Hf       5.48964108       9.16829995       2.61774466      -1.91094537      -0.54944577      -0.88242599 
Hf       5.05369965       8.98938562       7.85283073       2.97327018      -1.45756665       0.25198418 
Hf       0.16688585       0.17612329       4.90055561      -3.18076460      -1.30943638       1.61445352 
Hf       3.73213741       3.72258191       5.25644068      -0.61398496       0.57012354       1.02984569 
Hf      10.76915988       7.10919217      10.48319669       0.30760023      -1.16233715       1.21523137 
Hf       1.42831794       8.77867380       8.16282690       2.35972515      -2.22510422      -4.05617133 
Hf       7.37506054       3.39452629      10.31248230       1.77261941       0.62474277      -0.32867736 
Hf       8.89746982       5.46279910       2.44487270      -0.96334923      -1.90827673      -1.58139161 
Hf       3.45144129       7.40806637       5.30869827      -3.12823059       0.70307747      -1.33057329 
Hf       3.48139039      10.61089498      10.46068734       0.24823870       0.97737197       1.86897938 
Hf       7.23649552       0.27543625       4.75522551       1.81662222      -1.55850863       0.04948132 
Hf       5.44881815       2.13745578       2.47650545       1.99779004      -0.72710842      -0.61370141 
Hf       5.51374428       1.66601395       7.56362095       0.17466927       4.13516382       0.10157116 
Hf       1.54846023       8.95000154       2.56385861       1.74697025       1.69253619      -0.24582961 
Hf       3.72287772       0.01670067       5.23784695      -2.26127996      -1.52622212      -1.13786126 
Hf       3.54176431       3.30746345      10.38337157       5.56264461       1.37039569       0.24045238 
Hf       6.95043041       0.12704369      10.40704055       2.68844789      -2.47392277      -1.17618613 
Hf       8.97340903       1.74966586       2.44094772       1.99189668       0.88379618      -1.29201478 
Hf       5.33017617       5.27278437       8.18009764      -0.17011624       0.52914229      -2.78391405 
Hf       8.88162449       1.46101613       7.40462323       5.51030910       1.06594147       3.06451082 
O       0.05734874       9.03306237       1.38923156      -4.47946230       1.07107542      -1.10932860 
O       5.60079364       7.34349083       3.79623217       0.21479234       1.56032638      -0.56743949 
O       0.03821190       5.33752020       4.43819858       1.94897075       2.77279061       0.09579513 
O       0.31941309       1.93613862       4.11217058       0.28053087       0.23566655      -0.21436515 
O       1.99753243      10.68341483       3.87448563       0.98650806       1.46247231      -2.21604863 
O       1.69708232      10.87119596       1.36951965       0.68231336       0.63405377      -2.10856693 
O       2.04237052       3.13910194       0.94938685      -0.07030844      -0.94488406       3.92430961 
O       0.00364254       1.67943385       9.76195304       1.87438655       0.85802356      -0.06653825 
O       1.58539839      10.51304969       9.19360212       1.51170570       1.70395516      -1.09138838 
O       1.69495861       0.00381806       6.11029482       1.36850675       1.35885634       3.03093936 
O      10.68630327       1.43728477       6.62154037       0.95993595       0.08184555       1.16221414 
O       2.17848786       3.79702234       3.89412111      -0.72382046      -0.85507288      -1.16751854 
O       1.47982407       7.22794381       1.14389542       1.83626151      -1.07668612      -0.75847278 
O       1.84979811       6.97062572       9.06022284      -0.84090072       0.53259997       0.51234551 
O       0.04912364       2.02956427       1.81815210      -0.66986059       0.27492224      -1.06910268 
O       3.18540792       4.79219340       7.10681757       1.03558807       0.43134118      -1.30939978 
O       3.45205001       1.66231597       6.56950196       1.06325564       0.95253365       1.61657361 
O       5.10469753       3.36757464       8.77470324      -0.98754363      -1.80601992       0.37587577 
O      10.82908340       5.50993466       1.84492410       1.48531893      -0.99007193      -0.74141268 
O       1.74755814       7.36090539       6.38625268       0.53828773       0.93026733      -0.20212651 
O      10.80617900       9.13705508       6.58041911       0.53520515       0.29440862       3.41882245 
O       4.11372251       1.95639473       3.98359657      -2.76496431      -0.38956948       0.63390304 
O       5.51435551       0.13934159       3.22844630       1.37765981      -0.97173223       0.98760009 
O       5.48887514      10.21566462       0.63599121      -2.60911896      -0.09262311      -0.23859210 
O       3.96113676       1.16912155       1.37059924      -0.81195706       1.88876525       0.40915777 
O       3.15863211       1.57212596       9.55793576      -0.76538973      -1.66579291      -1.42138774 
O       5.07025844       0.11232508       8.64200475       0.30820484      -2.48250183       1.09898170 
O      10.91599691       8.80806765       9.38874419      -2.62888850       0.55420709       0.63880026 
O       3.64703207       5.63946832       4.55147736       1.29429784      -1.23057598      -1.39222903 
O       5.73315231       3.85453357       3.63711359      -1.93457026      -0.44948700      -0.24860783 
O       5.63394387       3.46936596       0.61626942      -1.51744411      -1.38153276       2.29156826 
O       8.98458010       7.50344766       6.44559024      -0.72221146      -0.74398337      -2.18552954 
O       3.92165287       5.68779754       9.57517185       0.97620504      -1.82951334      -0.20869278 
O       5.38539846       3.93270222       6.42789041       0.50825086      -1.62233653      -2.26376493 
O      10.58274749       5.32584504       9.72001780       1.04133339      -3.05064604       0.38009793 
O       9.06790004       0.14028106       5.56011185      -2.16438858       0.41567887       1.55074203 
O       1.17257204       3.19097510       6.56039705       4.77587425       1.06507251       5.70065985 
O       7.13844228       1.31344023       1.43907976      -0.15542526       1.45058634      -0.42982488 
O       8.98335248       0.17742355       0.39810207      -1.22197447       0.01948692       1.38049217 
O       7.45126916       9.17658586       4.34652515       0.00941077       0.32849966      -1.54923964 
O       7.46643753       2.17152204       3.75131710      -1.67323245      -3.23584630       1.31314462 
O       3.36522875       9.62192513       6.89256361       1.87943397      -1.16027043       0.50090869 
O       8.99798444       7.07539291       9.01928748      -1.08505245       1.38773556      -0.83886889 
O       7.09412548       1.77490147       9.09115259      -0.38034359      -2.21371705       0.37258063 
O       7.45385599       9.11663507       9.54166892       0.34830688       2.13562324       0.07242901 
O       6.03329544       7.24552973       8.67675892      -1.64308883       0.51470639      -1.19466039 
O       9.00964984       6.97961566       3.57342069       1.32546922       4.94661865       1.77739767 
O       5.02604013       7.34544823       6.25329526       3.90710602       0.27633264       3.62893881 
O       7.23204377       8.82620071       1.84724537       1.20473898       0.22681978      -0.72367391 
O       9.02545431       7.29916220       0.75790191       0.53177032       0.40648835       2.64660734 
O       7.01334272       5.00718365       9.27695442       1.69793705       1.26001020       2.09918185 
O       3.57568463       8.82147122       9.37503235       0.32125678       0.29663728       0.50730532 
O       9.51878984      10.90805622       8.56613473      -0.93214064      -1.86308688      -0.35749206 
O       7.27236349       5.34415767       6.86280294      -0.17682769       1.65697976      -0.74056248 
O       5.62627357       0.51021424       5.85770461      -1.08914977      -0.81306433       0.72208320 
O      10.87245261       6.19398588       7.43391155      -0.60587521      -1.60112397      -1.79119537 
O      10.75561268       9.16324244       4.16686125       0.80430986      -2.17305376      -1.39471283 
O       1.82060059       7.33171565       3.64640685      -0.11001463      -0.34964280       1.99595488 
O       3.98094422       9.04021511       4.37937695       0.40992586       2.73866213      -0.64581854 
O       3.59412687       5.35094634       1.71815606      -0.53673339       0.98318472       0.70978378 
O       5.39077326       7.23296068       0.57143343      -1.97436836       1.30485798       1.00771401 
O       9.43720675      10.90200445       3.21680116      -1.68215618       1.12799300      -1.73854073 
O       8.99912309       3.30277352       8.66686460       0.04627150       0.47590601       0.02758012 
O       7.00263323       5.81880128       1.45703512       1.34871541      -1.68155043       1.53901940 
O       9.07117315       3.77841084       0.99671609      -1.25677080      -2.06038771      -1.63970021 
O       8.90578367       3.88556326       3.58520868       1.20533192      -1.77841152       0.01815229 
O       7.27767365       5.58672011       4.21207298      -1.32396041       1.85747611       0.10312631 
O       3.44142236       8.78308655       1.66293532       0.71652437       1.07250864      -0.35085944 
O       9.23624424       4.09970880       6.10924882      -0.45876387      -0.47507722       1.03214288 
O       7.40448431       2.10892460       6.51186089      -4.31989944       0.30871072      -2.19677455 
O       2.07117220       4.01834844       9.45129383      -2.91578024      -1.70175048       0.86772993 
O       7.07857135       9.21351963       6.71230140      -0.67910538       0.09900840       2.29926688 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.007664876668758342 -0.0006892543279333315 0.004632618304150454 -0.0006892543279333315 -0.0063973948732831245 0.00630759293875723 0.004632618304150454 0.00630759293875723 0.005549814611300563" pbc="T T T" energy=-1063.47939059 free_energy=-1063.47940085 config_type=crystal 
Hf       2.17462653       1.57459829       2.48517691      -1.13700297       1.37043621      -0.60669149 
Hf       3.35360870       7.16958274       0.09186411       1.08323452      -0.80884106      -0.48513590 
Hf       5.42092264       5.53226386       2.91349563      -1.34363472       3.36260141      -1.94889152 
Hf       9.12898292       5.38477868       7.99266532      -0.53557788      -0.56623751      -1.98114125 
Hf      10.80293745       7.51659048       5.46053534       0.84808228      -1.75283618      -0.34178548 
Hf      10.75894637      10.68715389      10.61513086       0.58481545       1.96065126      -2.45526133 
Hf       7.25796698       3.88466224       5.20318461      -0.69011189       1.35337256       1.55614890 
Hf       7.21969909       7.52964839       5.50528672      -1.87589271      -1.52867574       0.19288898 
Hf       1.69033211       5.50499142       2.76014574       2.27886281       0.19724357       1.67745139 
Hf      10.90368521       3.75082418       5.13930953       0.74181301       1.65842334       0.08715472 
Hf       0.39645951       3.34293449       0.27180256      -3.01503745      -1.41881087       1.48946285 
Hf       1.59576485       5.01497567       7.95052516       1.42431402       0.55031439       2.27460244 
Hf       8.95651236       9.03183629       7.92995582      -0.95891739      -1.29466185       0.11877391 
Hf       1.61846513       1.22550222       7.81058407       3.43003104       2.18396257       3.31000782 
Hf       7.19462191       7.10097791      10.35167164      -3.65483737       2.99401013       2.28724845 
Hf       8.96477921       8.76318125       2.59852180       0.31545970       3.12092294      -0.76142419 
Hf       5.45365117       9.18301320       2.65526100      -0.29096097      -0.99858843      -3.59063330 
Hf       5.15219354       9.00337052       7.91846417       1.75425500      -1.73491455      -0.35183584 
Hf       0.11903869       0.10376460       4.90535833      -0.47558049      -1.04037997       2.44622708 
Hf       3.62787288       3.83523359       5.11399486      -0.24713670      -2.30283131       0.95663209 
Hf      10.73038101       7.02168002      10.51504649       1.86989969       0.07286492      -0.31878411 
Hf       1.43857988       8.79128536       7.99079494       0.79807298       1.45980751       0.82886396 
Hf       7.33920232       3.27866911      10.30029031       1.29430911       0.33879541       0.68890277 
Hf       8.86365062       5.48869032       2.44454957       0.30673813       0.31771493       1.53291104 
Hf       3.53805899       7.51591975       5.28491110       1.97544267      -0.02216025      -0.77565954 
Hf       3.40954675      10.48052001      10.53309538       0.55043764       2.95433835      -0.19294325 
Hf       7.19692869       0.23694892       4.71791166      -0.37775270      -1.32901663       1.37631889 
Hf       5.39436376       2.20650290       2.42558117       0.26751646      -2.74632989       1.48011547 
Hf       5.64424711       1.58435768       7.65049815      -3.80508217      -0.38009645      -2.94421901 
Hf       1.66303622       8.96901524       2.66855118       0.60151665       0.37102496      -1.58328330 
Hf       3.68814983       0.00760007       5.21128997      -0.46164741       0.62012806       1.56406317 
Hf       3.67675658       3.33033630      10.31437288      -1.91631971      -1.96345329       0.12972241 
Hf       6.97825088       0.02884846      10.39381010      -0.92899207      -1.57056263       1.39031521 
Hf       8.92066214       1.95094861       2.50842646       1.17400036      -1.42898145      -2.91984375 
Hf       5.35996597       5.27109857       8.15463629       0.68234368       1.06806243      -3.61809345 
Hf       8.93821978       1.40185975       7.44245652       1.22167726       2.32843892       3.46610628 
O      10.53328816       9.25666096       1.38172546       1.55168467      -1.06325525       0.61867858 
O       5.36336102       7.20974743       3.91626175       0.95624045       1.43957696      -1.29144159 
O       0.66906386       5.68777398       4.72190838      -1.63817511      -3.24592511      -0.42315574 
O       0.18383522       1.89268921       4.19999525      -0.44174875      -0.29918638       1.73473667 
O       2.02653932      10.87291123       3.70299299      -2.28377540      -2.09472269       1.08457068 
O       1.73648765      10.93653305       0.99101947      -0.59863876      -0.63266744       1.60031938 
O       2.32008682       3.02211663       1.18657894      -2.51540443       3.28092914      -2.50487653 
O       0.40269413       1.65818151       9.67442354      -1.61074149      -0.77246922       0.47460714 
O       1.72719357      10.57359616       9.16861568      -1.45758187      -1.97919467      -1.73679037 
O       1.83026608      10.71570359       6.47733099      -0.39735542       0.19192869      -2.64281788 
O      10.86532792       1.21706972       6.94553238      -2.11530661       0.65685896      -2.51104228 
O       1.87049739       3.57954695       3.40222619      -0.29840494       0.92325961       2.76572721 
O       1.55352202       7.49007608       0.98716816      -1.29406647       0.05962379       1.23329944 
O       1.70335320       7.12627115       9.06986058      -0.64693428      -1.04254171       0.54778017 
O       0.14662327       1.97192990       1.76462966      -1.94165397      -0.85589188       0.20384087 
O       3.28518443       4.86702245       6.76954643       0.16073870       1.65263574       1.04436621 
O       3.72824726       1.66364592       6.55418217      -0.84463999      -0.61531669       0.95798076 
O       5.00350145       3.20696604       8.59382339       1.75400059       1.62493976       1.59988378 
O       0.10641902       5.35643343       1.59079502      -1.60594455      -0.28054580       0.25214937 
O       1.82943365       7.71750599       6.33699077      -1.37539198      -1.11634099      -0.06643197 
O      10.71403937       9.20859710       6.80161242      -0.12152938      -0.76492067      -1.17499062 
O       3.73748229       1.70725661       3.98083940       0.15893782       1.26789154      -0.89418458 
O       5.70574292       0.07426097       3.26978535      -0.69445845       0.40204936      -0.36505084 
O       5.25838358      10.21347386       0.63538429       2.11986611       1.55204015       0.82020643 
O       3.90833936       1.64794685       1.26032039       1.49734957      -2.58768255       0.77966039 
O       3.27830877       1.53650384       9.40239767       0.24233055       0.44989069       0.39256094 
O       5.24282990      10.78321490       8.79517098       0.07882252       1.96130847      -0.84886169 
O      10.56161369       8.78222146       9.27438486       1.44995121      -0.77323350       2.03301606 
O       3.47701073       5.63302346       4.27041939       0.91215912      -1.03871518      -0.29888645 
O       5.30709801       3.82923342       3.80134578       0.81438628      -0.72124278      -2.35658976 
O       5.51669057       3.47434919       0.86517307       0.72712460       1.37047266      -1.43253154 
O       9.00012951       7.26070872       6.37579555       0.21991347       1.15277954       0.02159422 
O       3.72375168       5.47127904       9.27685781      -0.68207511      -0.10334845       2.09730766 
O       5.39754418       3.58411867       5.99203094       0.69050908       0.97710465       1.53935885 
O      10.72894994       5.20723681       9.63864728      -1.35917991       1.33623539       0.11913598 
O       8.84871003       0.23491362       5.95160439       0.63501005      -2.20622488      -2.64354963 
O       1.35794438       3.28015902       7.00968839      -1.76899655       0.25816921      -2.45337106 
O       7.11872860       1.61513034       1.44698923       0.15299222       0.96654406      -1.83053882 
O       8.85769625       0.09945276       0.44265353       0.86494436       0.73389453       0.43676026 
O       7.50082852       9.29016551       4.03409027      -0.88151185      -1.75824880       2.38305982 
O       7.11834558       1.95693070       3.86677004       1.40699292       3.51950767      -0.91223772 
O       3.64838262       9.20498096       6.54209837       1.64991099      -0.11787908       1.87347092 
O       8.55916454       7.20801868       8.93325210       2.41483486      -0.96964250      -0.03523662 
O       7.21937644       1.59448825       8.99218215       0.24693639       0.44593026       1.15161178 
O       7.18988618       9.36401234       9.47274347       1.43711733      -2.68399776      -0.04823213 
O       5.93428026       7.17319405       8.64477584      -1.05050615       0.23117432       2.61707998 
O       9.34351586       7.25892519       3.74608061      -0.24257174      -3.17154561      -0.45538486 
O       5.42272325       7.11540751       6.43127532      -3.00692263       1.06845101      -1.60613071 
O       7.26418407       8.80701577       1.65878629      -0.38612144      -0.53767170      -0.96421579 
O       8.99633370       7.01197180       1.03179083       1.03282264      -0.04528899      -0.43041825 
O       7.06692677       5.19813720       9.70752692      -0.27065928      -2.14930867      -0.71155864 
O       3.49510807       8.82057557       9.39762971       0.89127041      -1.00190526      -0.92131571 
O       9.36594904      10.80918401       8.60265343      -0.58200784       1.47844077       0.16450205 
O       7.02045799       5.50409149       6.89596861       2.16668484      -2.02153425      -0.01914185 
O       5.60721627      10.93161140       6.02224015       0.82240056       0.30470790      -0.03644193 
O       0.00563292       5.99437052       7.27234660       0.06520599       0.11616822      -0.35564807 
O      10.90529289       8.94486865       3.94774134       0.67630160       3.26063058       1.24802017 
O       1.92461149       7.37484909       3.88792791       0.23445066       1.91941254      -2.88895536 
O       3.95922713       9.19427115       4.08909003      -0.90587539      -0.08172952       0.73305508 
O       3.35038172       5.41688765       1.58096820       1.13907309       1.31935544      -0.20054655 
O       5.22827573       7.52229877       0.63944574       0.87944880      -1.73684875       0.22869096 
O       9.13277424       0.12216543       3.12335971       0.43279909      -0.66498125       1.84795384 
O       9.08899089       3.40551122       8.50175095      -1.40861957      -0.00060293      -0.36057032 
O       7.04398556       5.63235131       1.73166276       0.19916983      -0.49355914      -0.92878063 
O       9.03278672       3.53095490       0.75377701      -1.13259167       0.00227485       0.74886166 
O       9.24083886       3.60940599       3.56971542      -0.01444203       1.82473235       0.79530566 
O       7.42361732       5.74391625       4.18669050      -0.74322243      -1.94096140      -0.48555793 
O       3.52178977       9.03924254       1.56963566      -2.14168149      -0.65559539       0.85097892 
O       9.28448647       4.76847366       5.92218555       0.06058779      -3.63590510      -0.18604923 
O       7.22022685       2.11702350       6.30970549       1.55327142      -1.03829621       2.11756025 
O       1.63645915       3.65787808       9.59674319       5.11402413       3.08020899      -4.20024996 
O       7.13900454       8.89528826       7.07471565      -0.39205278       0.71593196      -1.84738630 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03571831047654744 -0.004316069339812951 0.016322385965750825 -0.004316069339812951 -0.018575917319988897 0.01409494702196069 0.016322385965750825 0.01409494702196069 -0.01903350941094946" pbc="T T T" energy=-1062.0378941 free_energy=-1062.0378959 config_type=crystal 
Hf       1.90380484       1.79345633       2.50026243      -0.79125246      -1.12248455       1.19394582 
Hf       3.39259431       7.11790591      10.58417092       1.32082985      -0.97194579      -1.57743834 
Hf       5.32891316       5.59339495       2.48097409       3.50205195      -3.04211295       5.09338067 
Hf       9.27416175       5.24669266       7.73836501      -0.42040388      -0.17390767       1.44665543 
Hf      10.81307723       7.27710141       5.38224882      -4.20445005       0.94555820      -0.52903436 
Hf      10.70901111      10.81659662       0.23794101       5.90336427      -1.71782268      -3.98612164 
Hf       7.08450545       3.88301949       5.59295046       2.33744209      -2.74600884      -5.00592686 
Hf       7.11384496       7.58874330       5.62199973       1.25501353      -3.06168241      -3.50313735 
Hf       1.93077511       5.49032955       2.58838588      -1.02022091       3.11418228      -0.68256615 
Hf       0.00896760       4.03161846       4.90798996      -0.68858645      -4.24407088       3.02441779 
Hf       0.31817221       3.36512784       0.13223358      -1.56863907       0.74474105      -2.67031014 
Hf       1.93829290       5.23248864       7.87603936       0.52382752      -0.82983802       0.71016412 
Hf       9.06044689       8.84467669       8.26290711       1.36918914      -0.48929483      -1.17000506 
Hf       1.56542253       1.51580204       8.16623062      -0.60763223      -1.55091611      -0.38447036 
Hf       6.82884117       7.11940075      10.61198085       2.38503408      -2.81493523      -0.18039140 
Hf       9.01616340       8.91616799       2.54316033      -1.51702729       0.81723856       3.25400898 
Hf       5.27563786       9.14302906       2.28002966      -0.23096411       0.10875169       3.64131682 
Hf       5.55433933       8.88075819       8.11433208      -3.59211231      -1.14841790      -1.92684676 
Hf      10.70514485      10.89933853       5.31298420       0.68210514       2.08185079      -1.24322033 
Hf       3.28488314       3.80046417       4.98438951       4.89372196      -0.63745154       0.21107582 
Hf      10.78864480       6.78544708      10.54508575      -0.51450010       1.24731596      -1.53222383 
Hf       1.77795721       8.79174902       7.57746225       0.38368442       1.60067395       1.80678002 
Hf       7.34080354       3.23366581      10.18379339      -2.81197074       2.32878079       0.14951282 
Hf       8.86446586       5.50756444       2.49329597       0.48919092       1.70825877       1.49254402 
Hf       3.79066852       7.66762858       5.01217032      -1.29536141      -1.20435392       0.97776913 
Hf       3.41275806      10.68676528      10.57003785      -3.04175292      -3.07892362      -1.20587140 
Hf       7.22425230       0.10304929       4.83148944       1.97131047       0.43173674      -1.15526760 
Hf       5.35838754       1.94846960       2.37566387       4.31831408       3.44755825       2.62321154 
Hf       5.48506388       1.35189415       7.62622055       0.29836172       3.03351065       1.84857197 
Hf       1.79442539       9.25411895       2.66648851      -1.84210256       0.22842286       1.41113426 
Hf       3.50107274       0.14251543       5.41498061      -2.38026421       0.05804641       0.84151449 
Hf       3.87602617       3.27192307      10.09851161      -2.17307968       1.69185659       4.34254251 
Hf       7.26747525      10.54859917      10.52849834       0.27850793       4.62861766      -0.72418261 
Hf       8.87650047       2.15001026       2.36908208       0.27712829      -2.61903025       1.98937407 
Hf       5.39916424       5.37440620       7.79731918       1.34998748      -0.81367329       2.03920008 
Hf       9.04913362       1.48812269       7.88373667       0.22601661       0.43025357      -0.08458903 
O      10.67142382       9.68743478       1.94649621       1.48023738      -2.05361207      -0.77182591 
O       5.38750695       7.45078305       3.76831106      -1.16076867      -0.12311162      -0.06497367 
O       0.37223908       5.67936766       4.03473301       0.29428470       3.12851022       0.80115628 
O      10.33678233       1.67386371       4.33237020       1.17963090       1.23159573       0.39475164 
O       1.40626636      10.93156198       3.71516511       2.22901984       2.19234642      -0.95692850 
O       1.74774220      10.54975097       1.10296633       0.99998021       1.73213312      -0.76141898 
O       2.21122538       3.34251619       0.88706392      -1.15314663       0.59328604       1.50484942 
O      10.53646956       1.81355588       9.57837129       1.59197879      -0.29692053      -0.46989743 
O       1.49117405      10.74122690       9.06397881       0.46744321      -0.59976666       0.72935414 
O       1.61600222      10.50633256       6.25002908       1.24565921      -0.37552492       0.02427560 
O      10.90398036       1.04948587       7.09366663      -1.34704027       2.08738085       0.44441945 
O       1.70825317       3.65614495       3.44607581       0.52711909      -0.83486041       0.57971313 
O       1.69850846       7.10973142       0.75593692      -2.79901840      -0.22022198       1.10935316 
O       1.80567852       7.05967937       8.73065412      -1.19940450      -1.11454516      -0.29998017 
O       0.16147621       1.83112065       1.45103664      -0.20356470      -0.74695101       1.47999222 
O       3.71744223       5.53792691       6.96759914      -4.22041534      -0.51753392       0.64540455 
O       3.40132909       1.22678419       7.46058332       1.48175299       0.31271342      -3.14408748 
O       5.25349272       3.32454715       8.86790161       3.68026268      -0.52314801      -2.87586582 
O       0.03113323       5.53929071       1.52831330      -0.70937239      -1.76012491       0.50623575 
O       1.59044571       7.58568427       5.95368140       4.17424301       0.27721472       0.79601568 
O      10.63829046       8.51983940       7.19737134       2.39664172       0.66209909      -0.80713262 
O       3.52012434       1.95072073       4.48420578      -0.57220349      -3.99331150      -0.95419552 
O       5.68418381       0.19902702       3.48963494       0.26599714      -0.94721041      -1.33212917 
O       5.13464871      10.42674358       0.73712136       2.92802207       0.54471987      -0.10875241 
O       3.68222527       1.41043041       1.73600927      -2.64868607      -1.77187426      -0.60125644 
O       3.63664732       1.38669139       9.76208930      -0.51408873       0.47900573      -0.45887422 
O       5.41312448      10.72332787       8.74347896      -0.18250711      -1.18470572       1.00814093 
O      10.55196408       8.88281683       9.95388833      -0.46414733       0.68412331       0.31869630 
O       3.46967832       5.60851850       4.71023837      -0.07010178       3.85661323      -3.56029933 
O       4.92386261       3.79832107       3.50594801       0.00945658      -0.41409810      -0.76855563 
O       5.25248586       3.49557513       1.03858616      -0.83123996       0.86617022      -2.21980577 
O       8.85210256       6.93812244       6.45280691       1.14967758       2.24018148      -0.48876610 
O       3.53124896       5.10778230       9.40872894      -0.06007503       2.66420180       0.73582981 
O       5.38409678       3.78293391       6.44381318      -1.89183345      -1.39695241      -0.57812410 
O      10.90141447       4.96972530       9.50415419       0.20527433       1.15882436       0.09419766 
O       9.00390287      10.45561099       6.27650326      -1.00072247       1.29170077      -0.39794284 
O       1.85045810       3.80115977       6.14115815      -3.89225723      -0.79163766       2.73274205 
O       7.17623697       2.00348735       1.10966760      -1.33440409      -3.09955786       2.04344973 
O       9.07180027       0.25266245       0.77998132      -6.73638801       0.92694405       0.94605370 
O       7.27031165       8.98266006       4.15046134       0.30523838       2.23920552       0.53435515 
O       7.25933078       2.39663738       3.66534188       0.52582582      -0.43508765       0.54646835 
O       3.77935514       9.03342797       6.81838254      -0.58721181       0.34689321      -0.42797731 
O       9.35268691       6.98760708       9.06289040      -1.55525477      -1.13803230      -0.66243518 
O       7.04783955       1.44178144       9.23660674       0.81780432       0.16144363      -0.78645990 
O       7.16670854       8.85211855       9.51073864       0.81562463      -0.83482641      -0.00168179 
O       5.38223875       7.19104236       9.18672920      -1.23608163       0.46554702       0.29762337 
O       8.83235524       7.07285681       3.82325130       2.21872608       0.63875346      -1.77995366 
O       5.28843337       7.13668548       6.59276331       2.80468557       1.01155955      -1.04849945 
O       7.14707298       9.28409052       1.42621304       1.42113721      -1.36226796       0.83490382 
O       8.87804209       7.18340899       1.06789797       0.66431027       0.27303137       0.23666271 
O       6.85896096       5.44096971       9.45638459       0.81102066      -0.96855048       1.34037656 
O       3.26720180       8.69133005       9.47924917       1.22126813       4.29390265      -0.44632384 
O       8.90288208      10.72333784       8.95237229      -0.28875435      -0.04976532       0.37123981 
O       7.47699539       5.24906781       6.77483755      -2.54712524       1.27449468       4.32334569 
O       5.41647154       0.22242608       6.03062515       0.63706434      -0.35818324      -0.58688886 
O       0.07523518       5.48374839       6.85785790       1.47241408       1.23715505      -1.29899862 
O      10.69549656       9.21926474       4.28816546      -0.44172657      -4.75533470       0.24329278 
O       2.32677688       7.44073804       3.49660916      -1.14093938      -0.51167223      -0.63768074 
O       3.68669334       9.59781569       4.15824443       0.06804691      -1.62482088      -1.63389066 
O       3.69500347       5.85029430       1.62305712      -3.93039971      -2.23477768      -0.12139030 
O       5.31044902       7.26624873       1.30412622       2.88594244       1.82805708      -3.04461186 
O       8.86064659       0.06494103       3.16024266      -2.46820146      -0.52520571       1.71464324 
O       8.73311656       3.53774751       8.88449986       0.47965679      -0.79107216      -3.84554383 
O       7.13944628       5.27216733       1.59035360      -0.55398007       0.79331591      -0.69440588 
O       9.03003106       3.34434135       0.57639505       2.64774813       1.10202772       3.19227459 
O       9.70380666       3.89432236       3.41359529      -2.27242816      -0.06508246      -2.64127863 
O       7.06321038       5.53417952       4.42031199      -0.62857719      -0.74209762      -1.42657008 
O       3.42396463       8.63819718       1.57430870       1.03167875       2.00317821      -0.36547394 
O       9.41554652       3.79581423       6.17248149      -0.92847857      -0.40347549       0.11471824 
O       7.48865487       1.81145178       6.36165983      -0.63160278      -0.76729007       1.43992314 
O       1.84456060       3.33333649       9.00462605      -0.28573073      -0.00614649      -0.47631277 
O       7.05900131       9.15667629       6.87787550       0.39732660      -0.72778252       0.82306818 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003516805342713437 0.0005916370503064078 0.004329821306802082 0.0005916370503064078 -0.010736961996992835 0.004850230529590311 0.004329821306802082 0.004850230529590311 0.0024993330872600888" pbc="T T T" energy=-1062.90923892 free_energy=-1062.90925341 config_type=crystal 
Hf       2.16481149       1.58883890       2.47417579      -1.57330757       0.61826276      -0.74333099 
Hf       3.34862197       7.17701802       0.08099255       1.49590726      -1.27966950      -0.03994531 
Hf       5.41889512       5.50863725       2.91166404      -1.40436156       3.92691651      -2.29850876 
Hf       9.14311298       5.39428049       7.98068282      -0.50781018      -0.80014582      -1.83622194 
Hf      10.78946146       7.51586563       5.46964928       2.07451453      -1.42848775      -1.29929113 
Hf      10.76990040      10.69563855       0.01748322       0.39188644       1.73689541      -2.08478905 
Hf       7.23211652       3.89180730       5.22520875       0.55311485       0.76716684       1.23109211 
Hf       7.22504617       7.56195730       5.53934895      -2.50343509      -1.71570963      -0.92136081 
Hf       1.70351338       5.49932563       2.74757811       1.94430705       0.06214988       1.61216588 
Hf      10.89897150       3.79071114       5.10859235       1.29482251       0.77406830      -0.07482304 
Hf       0.42157592       3.33469054       0.27898978      -1.13188453      -1.27927397       0.37313518 
Hf       1.61868414       5.02359891       7.93931401       1.81649990       1.22716513       2.77277995 
Hf       8.95639557       9.01979696       7.95169722      -0.62236682      -0.16101579       0.33708474 
Hf       1.57994898       1.23459833       7.82770005       3.60631978       1.41848938       2.44291880 
Hf       7.16966315       7.11161344      10.34970676      -2.72012922       3.14236913       3.35082996 
Hf       8.95748996       8.75893788       2.58358954      -0.93845907       2.84921862      -0.10051393 
Hf       5.44254397       9.17751471       2.64715606      -0.59838953      -0.38798410      -3.10733170 
Hf       5.19462492       8.99528838       7.94057504       0.94253440      -0.89583933      -1.14467253 
Hf       0.10205328       0.08076237       4.92047521      -0.24491359      -0.94504083       1.66041851 
Hf       3.60417648       3.84974503       5.08876183      -0.43677455      -1.51825056       0.93594862 
Hf      10.72908481       7.00409674      10.52173660       2.14013023      -0.04208023      -0.35079502 
Hf       1.44745282       8.79524618       7.95205584       0.46151730       1.29153009       0.86865164 
Hf       7.34127772       3.25156430      10.30191123      -0.38481865       0.54921301       0.04689762 
Hf       8.85580371       5.49549355       2.44629687       0.77654578      -0.44942461       2.28130120 
Hf       3.56599503       7.53711194       5.27960893       1.16939828      -0.70434091      -1.80358803 
Hf       3.39705373      10.46013396      10.55027334       0.48622460       3.86172986      -0.91537505 
Hf       7.19193528       0.22160208       4.71144732      -0.15184178       0.02448463       1.54072373 
Hf       5.39179951       2.21401894       2.42391252      -0.27569896      -3.21876929       0.07914192 
Hf       5.66077336       1.56550898       7.65568223      -4.28604922       0.06548593      -1.94106726 
Hf       1.68964845       8.97964409       2.67829404       0.39954805       0.24581049      -0.38132163 
Hf       3.67838409       0.00797717       5.21066126      -0.97266814       0.89325189       1.87395268 
Hf       3.70257100       3.33194288      10.29966001      -1.96443201      -1.94241507      -0.00179813 
Hf       6.98237362      10.95326703      10.39029913      -0.27047310      -1.00695775       2.36604051 
Hf       8.91404701       1.99328764       2.51326117       0.79514550      -2.80485103      -3.88469085 
Hf       5.36977181       5.27711637       8.12994226      -0.00950168       0.65813798      -2.62201045 
Hf       8.96068780       1.39927589       7.46610615      -0.34487244       2.31633354       1.97128793 
O      10.42156555       9.28607892       1.42094871       2.64888115      -1.05663792      -0.29486724 
O       5.37946809       7.23324159       3.87655754       0.40020009       1.87067229      -1.25020685 
O       0.79801116       5.72495438       4.74532364      -2.47474689      -3.70849626      -0.45513336 
O       0.13273161       1.87152430       4.26885703      -0.02259831      -0.07466873       1.76898060 
O       1.96007748      10.85994042       3.69224909      -2.07973646      -1.25170826       0.70167494 
O       1.77440758      10.94930479       0.95381383      -1.92663252      -0.51970819       1.55556567 
O       2.37562563       3.09409229       1.19324991      -4.22165095       3.18357152      -1.76406958 
O       0.45703995       1.63587509       9.67517841      -1.81021844      -0.60054690       0.43182155 
O       1.72636245      10.52353436       9.06498368      -1.34201081      -1.32067172      -0.73475472 
O       1.89834382      10.64170808       6.44361410      -1.51851815       1.55912512      -1.50560149 
O      10.79800550       1.19304661       6.93941922       0.76885001       0.50631888      -2.20998773 
O       1.78874208       3.50480172       3.38206415      -0.14394600       2.25831377       3.05735186 
O       1.58062749       7.54395857       1.01337726      -1.98061313      -0.46476908       0.62274682 
O       1.61627733       7.13459738       9.08824333      -0.14648233      -0.98555275       0.65975764 
O       0.04076246       1.88034465       1.81658538      -0.50808179       0.26491603      -1.32297760 
O       3.32341440       4.96403070       6.73558444       0.45313992       0.98620393       0.31096742 
O       3.74809471       1.60854743       6.61920284      -0.59411235       0.21373483       0.52153125 
O       5.00721005       3.29590849       8.69172105       3.18152502      -0.33200553      -0.44069340 
O       0.10875068       5.28992832       1.55598962      -1.26355921      -0.16919918       0.31236756 
O       1.82687071       7.77581437       6.29709918      -1.80732114      -1.60496636       0.19002890 
O      10.68834919       9.20301031       6.85686569       0.14989740      -0.85961868      -1.42739483 
O       3.60452575       1.67785048       3.94146406       1.32474994       1.64118148      -0.00471432 
O       5.74020688       0.12904547       3.30724641      -1.35250788      -0.80332942      -1.33048702 
O       5.20501789      10.27173579       0.68498559       3.02512782       1.13488732       0.74246180 
O       3.83118359       1.64975897       1.21334946       2.99590551      -2.74558140       1.53359469 
O       3.30358163       1.50835985       9.36969914       0.05391698       0.32027955       0.30961962 
O       5.29297639      10.81937342       8.80786200      -0.01777896       0.48764760      -0.81256422 
O      10.47717470       8.74943169       9.34967889       1.77392002      -0.18554305       1.78748011 
O       3.47414355       5.64233649       4.16360952       1.39074737      -2.26761046       0.41913298 
O       5.20929369       3.79258856       3.73416210       0.69335552      -0.64599792      -1.55223798 
O       5.49166301       3.50598924       0.88451020       0.41676364       1.34339277      -1.03030745 
O       9.00484245       7.25164175       6.30172535      -0.01768914       0.89550945       1.19324018 
O       3.70933019       5.34513987       9.26454166      -0.97766035       1.36472713       2.18298021 
O       5.45219084       3.54271134       5.92872642      -0.54033898       0.81350038       1.74576926 
O      10.70823696       5.16024938       9.62096126      -1.14896437       1.55593957       0.17498748 
O       8.78129941       0.17477822       5.93050688       1.63261123      -1.72103506      -1.07731204 
O       1.34855618       3.37056980       7.03659921      -1.70429158      -1.79558430      -3.19000319 
O       7.12881053       1.75641235       1.37893822      -0.42113641      -0.14901174      -1.59701751 
O       8.92071725       0.10671418       0.50886369      -0.74735068       0.93083726      -0.32276324 
O       7.46263952       9.25099748       4.11955423      -0.61354214      -2.01854499       0.77458201 
O       7.11291184       2.00298819       3.83527493       1.07986045       3.10606795       0.32260106 
O       3.65636878       9.13175106       6.39835869       2.64695391       0.97293606       4.51046480 
O       8.53799393       7.23491917       8.92929131       2.48047558      -1.64310143      -0.34043049 
O       7.25580613       1.51600659       9.01475687      -0.17786124       1.33145380       1.08907510 
O       7.21366749       9.34787788       9.48163782       0.88116507      -2.90711700      -0.61316281 
O       5.86551120       7.09433233       8.80928714      -1.59958422       1.87883208      -0.15363606 
O       9.44707614       7.28669668       3.77598456      -0.66661437      -2.92665013      -0.92808450 
O       5.35610891       7.10915163       6.37201450      -1.33057616       0.70324995       0.08536484 
O       7.24186210       8.76672606       1.50675386       0.69112434       0.04442120       1.00057619 
O       9.03733105       6.95173067       1.12006499       0.75591711       0.77538004      -1.25168979 
O       7.05770072       5.25313106       9.76561717       0.11243619      -3.64812351      -0.93216176 
O       3.50995082       8.81706713       9.39613389       1.08214746      -1.31325146      -1.26518866 
O       9.28717452      10.85338194       8.59120738      -0.05908157      -0.46397664       1.09018148 
O       7.03600543       5.47191219       6.92242058       2.11467081      -1.58568674      -0.36201453 
O       5.56175062      10.80152193       6.09082611       1.47935580       0.86245662      -0.27891223 
O       0.01127055       5.92200757       7.19056272      -0.10398664       0.81245831       0.16718560 
O       0.02105853       9.05550990       3.89585917      -0.63464060       1.93966555       2.47256924 
O       1.97177236       7.35864331       3.89718099      -0.02133433       2.69539662      -3.58165625 
O       3.89278764       9.32190022       4.07711200       0.30925417      -1.82135907      -0.99797515 
O       3.33337045       5.49925004       1.56516160       1.26890126       1.24989717      -0.47763370 
O       5.28701479       7.51384118       0.66987359      -1.08510887      -1.35723826       0.54941577 
O       9.07852342       0.18955677       3.15449024      -0.09772169      -1.87019548       2.07496704 
O       9.05308030       3.43031878       8.44253509      -1.30352484      -0.21169995      -0.14389424 
O       7.06567274       5.55828677       1.77777210      -0.13664286      -0.44840437      -1.53051601 
O       8.93024513       3.43399397       0.71504355       1.38097511       0.87239175       1.34607680 
O       9.34048937       3.50294030       3.59075744      -0.14328990       4.25340554       1.35353024 
O       7.37551094       5.76311730       4.13254085      -0.27400580      -2.41280791       0.67187337 
O       3.41982129       9.11766723       1.58691193       0.13050743      -1.33419243       0.24101395 
O       9.32264851       4.74354526       5.89199547      -1.00489109      -2.99398315      -0.06630700 
O       7.25372536       1.99415075       6.41444717       0.35044684       0.56800045       0.28693909 
O       1.72328973       3.62675120       9.54392822       2.27281024       2.60542554      -2.07243594 
O       7.15749706       8.87220309       7.07041696      -0.99493226       0.36103823      -1.10445485 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006724052348623561 0.000965661263505063 0.006598423377767965 0.000965661263505063 -0.014933807695966101 0.013620570651632366 0.006598423377767965 0.013620570651632366 -0.013681656251515314" pbc="T T T" energy=-1059.84415977 free_energy=-1059.84416967 config_type=crystal 
Hf       2.07593127       1.65845223       2.41604982      -1.38679478      -0.54243353       2.58569167 
Hf       3.35013707       7.17419762       0.03550277       0.71373250      -0.96634282      -1.06255585 
Hf       5.39411341       5.48676349       2.83715900       1.04725382       2.44693028      -4.77921876 
Hf       9.20065313       5.40563463       7.88590892      -0.31193504      -3.94320365      -1.15930217 
Hf      10.77752676       7.47882624       5.47411123      -0.04204661      -1.82245901      -2.94530886 
Hf      10.80740750      10.75729366       0.12763728      -4.37445380      -0.87128538      -0.64313321 
Hf       7.16534320       3.94039037       5.34146556       1.13379446      -2.20189347       2.22362095 
Hf       7.18908387       7.64662133       5.66249601      -1.98272461      -4.12595767      -1.46335898 
Hf       1.78959752       5.47641576       2.71234436      -0.57143721       0.20317055      -1.21460609 
Hf      10.91837523       3.95718844       4.98089480      -1.92098127      -3.49117220       2.37384162 
Hf       0.49633167       3.28764208       0.29382010      -7.70461314       1.02166696      -2.79266253 
Hf       1.75701427       5.09146268       7.92409732      -0.32556493       1.66220037      -1.91357799 
Hf       8.94662337       8.96387107       8.06286689       0.57680052      -1.05368715       0.13631925 
Hf       1.47414284       1.30759400       7.93671894       3.34397819       1.99654518      -0.16790697 
Hf       7.02082184       7.19906621      10.40489211      -0.89155667      -3.15790848       1.82441349 
Hf       8.91213026       8.78521946       2.52314433       2.93355283       0.62319478       0.72631518 
Hf       5.37500725       9.14734386       2.54729788      -0.06462373       1.82057865      -3.47058141 
Hf       5.39969517       8.95211090       8.01641391      -1.16507786       0.03278023       1.24945618 
Hf       0.01270009      10.93162005       5.03663562      -1.34256447       2.84740885       1.75975022 
Hf       3.48274138       3.88391131       4.99779534      -0.68834687      -3.00838970       2.14727973 
Hf      10.76788526       6.92018068      10.54903920      -0.21521462       0.21218299      -0.11953635 
Hf       1.49215012       8.80250737       7.78242221       1.29684504      -1.19742628       0.97443488 
Hf       7.32944513       3.15951199      10.28249216       1.31585314       4.18726575      -0.14180522 
Hf       8.84604148       5.49747604       2.50813055       1.39516957      -1.98668584      -0.73382522 
Hf       3.68788470       7.61610657       5.20605646      -0.79961784      -0.60520070      -0.20104965 
Hf       3.36111137      10.45005411      10.60557092       1.73417492       3.62073969      -2.73323057 
Hf       7.18227000       0.16221026       4.71610399       0.14010250       0.53544362       2.93682188 
Hf       5.38805266       2.17248923       2.38916919       0.48125446      -2.42924882      -0.37305078 
Hf       5.64973486       1.48515362       7.65314774      -2.26549179       0.19999729       0.12402937 
Hf       1.78522728       9.04983940       2.71853129      -2.75964254       2.08148268      -2.23297857 
Hf       3.61253229       0.03087938       5.25244131       0.58204038       1.59920375       1.38385591 
Hf       3.79399422       3.30081086      10.23181074       0.38657687       0.25729235      -0.41204403 
Hf       7.01538898      10.78454254      10.41799671       3.01006808      -0.07469909       0.45469176 
Hf       8.89686746       2.13163749       2.47213651       0.63665816      -1.50266173      -0.50041052 
Hf       5.41044465       5.31839047       7.98370720       0.40094138       0.15601347       0.43757403 
Hf       9.05244693       1.43672744       7.60181382      -1.08623233       0.11778907       0.38723955 
O      10.52590370       9.25099365       1.55129235       0.23457011       1.05993405       1.58768714 
O       5.41164017       7.54876464       3.52119255      -1.04121242      -4.17755068       3.03582948 
O       0.97729788       5.51339632       4.61489465      -0.08879703       4.72880014      -0.48167649 
O      10.88850458       1.90117726       4.72670599      -0.86918685       0.13852343      -2.80352798 
O       1.58173645       0.01451637       3.61035200       1.41130630       0.62628433      -1.04821307 
O       1.59037669      10.93507240       1.01391997       2.84772547      -0.42629326       0.00128226 
O       2.03817908       3.75399090       1.13170173       5.03778690      -1.68536176       1.65903499 
O       0.37469893       1.52458514       9.68901280      -0.33780957       1.41485635      -0.97571381 
O       1.54782972      10.45387020       8.79983605       0.30297508      -0.01070171       1.46132182 
O       1.83457837      10.66617578       6.12760458       0.07843810      -0.58569230       0.85800874 
O      10.88505278       1.13545738       6.78540182      -1.58949930      -0.41729909       3.54048390 
O       1.58289834       3.59892888       3.73784208       2.85823099      -1.62091078      -2.57220408 
O       1.33554637       7.56569242       1.10573742       1.45443737      -0.58145253      -0.18263970 
O       1.37011737       7.02598891       9.16144026       2.13266348       0.42428045      -2.41643011 
O      10.79005681       1.63290525       1.67882430       3.03435813       1.24668903       0.21162842 
O       3.52932793       5.45071277       6.62957706      -1.97588775      -1.37877650       1.12691309 
O       3.72562899       1.44420524       6.89466369      -0.59338282      -0.48279819      -1.25142609 
O       5.65232804       3.41774918       8.87108946      -2.84670489      -1.65122548      -0.98949425 
O       0.00562799       4.97566477       1.54644669       0.63497562       1.67567009       0.68707373 
O       1.70046148       7.69236964       6.07113557       2.90619888       0.51360852       0.36202951 
O      10.67824546       9.01140521       6.89136604       1.10115678       0.08735431       0.79436529 
O       3.43141778       1.82470854       3.97232919       0.33989653      -1.11655021       1.03076751 
O       5.65310164       0.18767672       3.24889468       0.61688572       0.02349145       1.73647613 
O       5.45388924      10.62711458       0.91149362      -0.94889975      -1.58289302      -1.51595363 
O       3.83133325       1.34844246       1.34095592      -1.95257443       1.48352526       0.12977551 
O       3.37382515       1.40690619       9.36554810       0.04347762       0.62559441       1.64630971 
O       5.51026038      10.79293035       8.84117350       0.03468058      -0.51415435       0.52693171 
O      10.40074411       8.81254592       9.84407641       0.34999241       0.68904127      -2.15816371 
O       3.68170595       5.39698301       3.89930658      -1.79510046       4.09910356       1.72736560 
O       4.82663589       3.66675156       3.42417072       1.21803142       0.15129315       0.68558319 
O       5.28399060       3.81041080       0.89277775      -1.42777500      -1.55864615       0.20323908 
O       8.97159297       7.33875422       6.33422755       0.15084628      -0.50849526       0.37388554 
O       3.62197001       5.32562362       9.52270551       0.38117495      -0.21408951      -0.73761632 
O       5.26590992       3.48872061       6.02453399      -0.15953376       0.53752540       0.57502829 
O      10.47823130       5.14326528       9.55545410       1.29910328      -1.39230597      -0.13290846 
O       8.86939178      10.59295366       5.88332178       0.33651183       0.75704851       1.80956342 
O       1.11727382       3.40405111       6.57537969       2.46000842       0.91493918       2.01890291 
O       6.92909996       1.93480090       1.15591746       0.86788620      -1.27956106       1.58472725 
O       8.87938475       0.31017017       0.69677389      -0.46224287      -0.53385627       0.21098260 
O       7.22252793       8.96635260       4.32220738       0.72477923       2.29097318      -2.62511618 
O       7.22716944       2.59726048       3.84414664      -0.24985600      -2.74922276      -1.21396922 
O       4.00878594       9.11225102       6.72419791      -4.72864737      -0.72329427      -3.11256319 
O       8.82564447       6.99009398       8.91036542      -0.66156032       2.11017448       1.28908820 
O       7.28868004       1.50165259       9.27245187      -0.61271243      -1.07245753      -1.51095392 
O       7.32060868       8.88085976       9.43340342      -1.30744210       1.62037872       0.62425409 
O       5.24894170       7.09964160       9.13656808       3.14755398      -0.70427340      -1.58575394 
O       9.69541666       6.97569550       3.61102801      -1.27039899       1.06023875       1.07977095 
O       5.25843661       7.04319563       6.34568668       2.16502441      -0.00175721      -0.18962318 
O       7.38860742       8.71311704       1.29101471      -1.04439717       0.89258505       1.24125363 
O       9.22090989       7.00749923       1.18046237      -1.96038208       0.18101355      -0.24168507 
O       7.06436350       5.07958791       9.76044255       0.06331570       3.27064915      -0.86369737 
O       3.70781892       8.74231971       9.23860318      -2.73348015       2.61877706       2.27784897 
O       9.02664577      10.73515783       8.83646337       0.60864974       1.65936177      -0.87905401 
O       7.27705912       5.16504690       7.02151038      -3.14409040       2.42742839       1.09785467 
O       5.66137660      10.60204002       6.21454023      -0.54490698       2.58400795      -1.68381565 
O       0.00856168       5.84535939       6.93471185       0.28176281       0.26092325       0.39935212 
O      10.87775433       9.26757654       4.07889618      -0.10176081      -4.24092665      -0.13043307 
O       2.21349042       7.41897767       3.48382598       0.53561017      -1.52825283       2.01311037 
O       3.72990216       9.40565599       3.82179236      -0.63746808      -0.06861672       2.56292489 
O       3.45180645       6.01070625       1.51416557      -1.15681652      -2.65885154       2.52951292 
O       5.21247203       7.31280483       1.01706743       2.33201418       1.34918286      -0.88268555 
O       8.68088164       0.13193401       3.55013181       1.57643084       0.34212625      -3.40774161 
O       8.69819990       3.37089628       8.23383988       1.22444246      -1.37715817       1.80972045 
O       7.09823398       5.20457242       1.65497728       0.36595329       1.26557222       0.76733156 
O       9.15111250       3.32399168       0.89334694      -1.12452872       0.45524286      -1.35672779 
O       9.52587399       3.83953075       3.50543708      -1.03961141      -0.02182657      -1.97559456 
O       7.07157113       5.40714875       4.16046972      -0.35431362       2.92463611      -1.05125461 
O       3.46403346       9.19182336       1.42223471      -0.23410609      -1.77286095       0.78775846 
O       9.04439679       4.19425228       5.92117377       1.84559530      -0.11981513      -0.15437880 
O       7.29520850       1.66445918       6.61196991       0.65229498       0.41771577      -1.94098529 
O       2.02152958       3.66600984       9.13088550      -1.85680095      -2.82944146       1.20077389 
O       7.09325820       8.87985312       7.07453708       2.05074931       0.06931221       0.06858649 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009985407927130827 0.0039467812523956165 0.00652690969537333 0.0039467812523956165 -0.0031770991811491548 0.013761549328432194 0.00652690969537333 0.013761549328432194 -0.008069571520488386" pbc="T T T" energy=-1059.82767978 free_energy=-1059.82768187 config_type=crystal 
Hf       2.02885585       1.68115186       2.40705663       0.23889855       1.72822305       1.90032705 
Hf       3.35657153       7.16164533       0.01620327       1.01660915      -0.73941672       0.52991086 
Hf       5.38967076       5.50326322       2.77550209      -0.87681757       1.41966892      -3.56649634 
Hf       9.21961544       5.38491355       7.84038438      -0.93535531      -2.52278649       0.76082827 
Hf      10.78124917       7.45101729       5.45546456       0.67763600      -2.61358855      -2.46836152 
Hf      10.79594873      10.77699485       0.16161309      -3.10779047      -0.67809017      -0.72160570 
Hf       7.15978106       3.95100027       5.39394657      -2.61748705      -3.17139030       1.34415000 
Hf       7.15699188       7.64339840       5.69374633      -0.03499120      -1.20514128      -3.54400175 
Hf       1.81958826       5.46948719       2.69514951      -0.22990175       0.00153670      -1.93378529 
Hf      10.92679864       3.99393420       4.95049512      -0.11992433      -1.58137010       0.91839112 
Hf       0.47853343       3.27751501       0.28007638      -3.45476744       2.65434661      -0.80880208 
Hf       1.80966103       5.12768825       7.91079385      -0.20323339       0.55390351      -0.95015444 
Hf       8.94525836       8.93878961       8.10646588       2.00572109      -0.72878578       0.14661898 
Hf       1.46106828       1.34844783       7.97707991       5.48859550       2.27791949       1.49101285 
Hf       6.96052944       7.21708466      10.44149487      -0.32211798      -5.08310098       3.02405945 
Hf       8.90906083       8.80244865       2.50720179       4.26515360       0.16759762       2.48274637 
Hf       5.34689338       9.14329452       2.48693165       0.99153337       0.28882571      -0.98984189 
Hf       5.46789605       8.93757908       8.04467971      -3.88833557      -0.81187658       0.59252733 
Hf      10.92655038      10.91186189       5.09835471      -1.86212790       1.46066570       0.18985311 
Hf       3.43285411       3.87788058       4.97869205      -0.02311795      -1.51646132       1.03919139 
Hf      10.78748609       6.88930799      10.55873902      -1.88024793       0.38524087      -0.68597665 
Hf       1.51475914       8.79019436       7.72372080       3.72285237       0.23527045       1.94655952 
Hf       7.32755314       3.15425026      10.26504231       0.95363193       4.03209383       0.42407364 
Hf       8.85319432       5.48393048       2.53463524      -1.84474219       4.19504810      -5.36241495 
Hf       3.72236334       7.64026783       5.16922060      -0.71186125      -2.41561304      -1.08187198 
Hf       3.36086135      10.47548474      10.60983496       1.13424580       3.39976499      -2.77617812 
Hf       7.18459213       0.14606813       4.73671574      -0.84968406       0.67797004       2.59258599 
Hf       5.39183709       2.13300140       2.36622075      -2.78938181      -1.11889500       2.81606223 
Hf       5.62300441       1.45857732       7.65090077      -1.05409368      -0.21609398      -0.56728452 
Hf       1.79737464       9.09269555       2.72145362      -1.60998447      -1.51035655      -1.79691991 
Hf       3.58811038       0.04958324       5.28134454       1.40625072       2.25257109       0.56576986 
Hf       3.82754861       3.28519725      10.20482361      -1.37963577       0.92177953      -0.20218814 
Hf       7.04688627      10.71862698      10.43550820       3.55539420       0.60492443      -0.07277737 
Hf       8.89492266       2.16764296       2.44872231       0.04712340      -2.16731123      -0.25933875 
Hf       5.42581504       5.33615935       7.93112989      -0.93927495      -0.17461008       0.89826357 
Hf       9.07985983       1.45721910       7.65546540      -2.57833405      -1.46187942       0.32463808 
O      10.66321065       9.27977780       1.67998063      -0.05019127       1.72394068       0.96719865 
O       5.34140925       7.45688280       3.53413559      -0.39977952      -0.78106525       2.56476194 
O       1.00471461       5.69947653       4.48678108      -3.13778312       0.41174762       1.87901016 
O      10.78272560       1.96727108       4.72414770      -1.22184401      -1.30295222      -1.84109022 
O       1.58435187       0.18608854       3.49248660      -0.88292117      -3.38842598       1.99383172 
O       1.62933896      10.90302927       1.04336496       2.17322434      -1.24107243      -0.71126015 
O       2.15356713       3.88444794       1.22116879       1.00631023      -3.53283527      -1.82106029 
O       0.29244391       1.57377374       9.63242751      -1.06237997       1.01647703      -0.00333967 
O       1.49635481      10.54872691       8.88078088       0.52742358      -2.06202506       0.08304682 
O       1.75639306      10.69737759       6.06232902       0.18627594      -1.02978479       0.65720564 
O      10.90885611       1.09201585       6.95739881      -3.25230744      -0.53207963      -0.77203780 
O       1.70667309       3.60325278       3.75976205      -0.02487040      -1.08722788      -1.38823873 
O       1.28187008       7.49255258       1.09689866       2.39284019      -0.03026367       0.03379146 
O       1.44303054       6.99925627       9.03652698       0.77564418       0.55592517      -1.24700681 
O       0.01893273       1.64948387       1.57445676       0.85820908       1.43511854       1.03461519 
O       3.49513097       5.53319907       6.65571005      -1.79559181      -1.21544166       1.68707497 
O       3.67503232       1.37805083       6.90592809      -0.31353709      -0.62821119      -0.11224578 
O       5.80616846       3.30588349       8.82933609      -3.79990935      -0.01308675      -0.51093816 
O       0.01556563       4.95035805       1.61075703       0.61541988       2.16798987      -0.56823823 
O       1.83248665       7.64039043       5.98446096       0.16232321       1.32439223       1.27490720 
O      10.75406131       8.92715751       6.93024373      -0.23646105       0.19690245       0.61706052 
O       3.46979106       1.84560328       4.10063270      -0.13323336      -1.87094574       0.92488893 
O       5.63216451       0.18201729       3.29768318       0.32451244       0.06588768       1.28994834 
O       5.52895888      10.65863126       0.88872120      -2.61604120      -1.77037129      -0.03392620 
O       3.73336612       1.32293108       1.44118090      -0.19794012       1.04031944      -0.34847019 
O       3.38615985       1.39809111       9.48254107       0.75032665       0.40099593       0.83923074 
O       5.58663236      10.67822114       8.90399769      -0.40530758       1.48367740      -0.68433705 
O      10.41813884       8.94622490       9.89242008       0.44513516      -1.41833830      -1.50809852 
O       3.68396913       5.50785357       3.94827013      -0.43740728       1.57043966       2.98298782 
O       4.73893486       3.68017923       3.40983326       1.83496518      -0.16215114      -0.26700198 
O       5.09311846       3.84017222       0.92097064       0.67017731      -1.65620209       0.19602857 
O       8.95234196       7.34949264       6.43316090      -0.02359015      -1.17409506      -0.55523476 
O       3.64637669       5.43058747       9.59241910      -0.75369030      -2.91750423      -1.27934042 
O       5.07879239       3.50743883       6.14361387       2.06697663       0.38147979       0.76811231 
O      10.46255304       5.06941734       9.52145374       1.49299113      -1.01530830      -0.09141628 
O       8.97228681      10.42075612       6.00887376       0.25864547       1.45756138       0.37159382 
O       1.16696936       3.42329116       6.45537998       1.81169988       1.30408030       1.66838948 
O       6.84160962       1.78054020       1.25923804       3.90596556       1.55794134      -2.09639177 
O       8.77043861       0.37344446       0.75364882       1.76885992      -0.41745915       0.60729244 
O       7.17694615       9.03525280       4.16746626       0.44718234      -0.60197047       0.45208893 
O       7.25773504       2.67851050       3.82108639       0.11647186      -2.51547556      -1.31468597 
O       3.90263205       9.11410259       6.82004332      -2.08619708      -0.57848596      -2.53154518 
O       8.92342590       6.95303301       8.97849327      -0.11183111       1.92505300       0.28342649 
O       7.23520841       1.50051798       9.29793649      -0.27361360      -1.97758927      -1.02226938 
O       7.25849955       8.78552799       9.44224536      -0.39563750       2.54709409       0.17315540 
O       5.15549217       7.11028492       9.05473116       3.04271871       0.20423146      -0.30943356 
O       9.67573377       6.89148461       3.55091921      -1.22688885       1.79680934       2.53306986 
O       5.44854315       6.97644390       6.40212964      -0.32123770       0.90630052      -0.33710933 
O       7.43409005       8.77888229       1.38282036      -3.58626296       0.88784190      -1.34478997 
O       9.15816072       7.10598841       1.13401758      -0.64218679      -0.35349692      -0.84245387 
O       7.07678717       5.19597131       9.66537273      -0.40002414       1.17371570       0.00115616 
O       3.64378406       8.87807354       9.29696330      -1.78364380       1.14828801       1.82436675 
O       8.99427079      10.70399787       8.92377252       0.18224150       2.02415722      -1.36841584 
O       7.18378971       5.18210923       7.11349970       0.11812341       1.54364886      -0.63440387 
O       5.70691653      10.75189071       6.12708397      -2.49450819       0.35825369       0.11178329 
O       0.01770884       5.87505147       6.89416178       0.21665768      -1.16522909       0.61338692 
O      10.72761648       8.93182137       4.14848860       1.81509364       2.92594518       0.45375422 
O       2.34236475       7.28571546       3.44942289      -0.57423427       4.66975451       0.47228152 
O       3.67070405       9.35331732       3.84318440      -0.40851922       0.89596796       1.99282082 
O       3.45199523       6.05875028       1.64125450      -0.15365895      -1.07283484      -0.71797766 
O       5.24118102       7.30768870       1.14061446       2.83940367       0.84201888      -2.61037748 
O       8.57294685       0.08816151       3.51789012       3.97533926       0.77429328      -3.68466563 
O       8.62181916       3.23764580       8.27652265       1.35598446       1.13507246       2.23338744 
O       7.11409202       5.15304712       1.60519658      -0.16365368       0.69269154       0.53538032 
O       9.32158797       3.37266853       0.93995627      -2.60099597      -0.82747383      -2.40616389 
O       9.45663996       4.02086964       3.26071881       2.73715589      -7.06266051       5.03292977 
O       6.92845104       5.37135024       4.18342272       0.76995749       2.94070163      -0.52423635 
O       3.61896291       9.09428581       1.31156397      -2.15338713      -1.06777425       2.13247670 
O       8.93188393       3.97025533       5.98877092       4.62215566       0.77161400      -0.52306847 
O       7.29683010       1.61588444       6.48780364       0.96191133       0.65913510      -0.03633694 
O       1.92194217       3.49128432       9.05906736      -0.22878349      -0.08388563       0.28217393 
O       7.15966000       8.91420401       7.13638266       0.96495940       0.05350657      -1.63238879 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016087901368283405 -0.0012639062283837815 0.013158129163982868 -0.0012639062283837815 0.0022072173217920423 0.007980912737083425 0.013158129163982868 0.007980912737083425 -0.005888445092457562" pbc="T T T" energy=-1061.63571224 free_energy=-1061.63571782 config_type=crystal 
Hf       1.95766618       1.73329157       2.41397834       2.77842518      -0.60540997       4.70891857 
Hf       3.37481623       7.13658600      10.61958313      -0.46653693       0.85594568       0.45264684 
Hf       5.37131989       5.54260874       2.64656700      -1.67629734       0.33157541       0.30949125 
Hf       9.24341264       5.33116626       7.77698527      -0.00565160      -0.28281693       2.61517015 
Hf      10.79518849       7.37722402       5.41173229       0.36338274      -0.64964759       2.05760256 
Hf      10.75222925      10.80274112       0.20871306      -0.16019116      -0.78912121      -1.38857517 
Hf       7.13129579       3.94039574       5.48736028      -0.20712761      -2.13445448      -0.92345372 
Hf       7.11327876       7.62868186       5.70601921       4.07383760      -0.20661001      -5.62464125 
Hf       1.86583463       5.46130689       2.65385797       0.12186638       2.00937697       0.05939303 
Hf      10.94010504       4.03531896       4.91214006       0.24139643      -2.99986262       2.02874545 
Hf       0.41966892       3.28715662       0.24597185      -0.78232043       3.44758960      -3.26644059 
Hf       1.88986420       5.18806578       7.88196769      -3.83451474      -2.29340804       2.01909168 
Hf       8.96564901       8.89350966       8.17858481       3.63732157       0.78586448      -0.52402776 
Hf       1.48686297       1.43158283       8.05465567       2.14573513      -1.32413240       0.34351378 
Hf       6.86513324       7.20120372      10.52559067       5.12476917      -2.77265001      -1.54560383 
Hf       8.93953297       8.83452475       2.50312525       1.54278394       1.96431809       1.93804935 
Hf       5.31142213       9.13974653       2.38341582       1.14980719       0.58812043       1.74728409 
Hf       5.54109604       8.90845924       8.09173015      -4.19334400       0.84216589      -2.17788365 
Hf      10.84063803      10.89480789       5.19963410      -1.23253744       1.25524798      -1.17452064 
Hf       3.35513684       3.85547994       4.95998235       1.94413045      -0.67352265       2.55111906 
Hf      10.80150024       6.84250680      10.56650626      -1.78688039       0.25554020      -1.60854958 
Hf       1.59168144       8.77361542       7.64699706       4.98930434       1.78857146       1.63213237 
Hf       7.33370624       3.17826526      10.23650929       0.78262417       0.58935586      -1.32485925 
Hf       8.85313856       5.49155695       2.53293417       1.10458803      -0.89348371      -1.94462009 
Hf       3.77033013       7.65761502       5.09920525      -2.10426002      -0.63995661       0.24409037 
Hf       3.37305812      10.54983993      10.59670644       2.30271092       3.37616632       0.55882090 
Hf       7.18807964       0.12518830       4.78583533       1.77294400       0.19261582      -1.46861245 
Hf       5.37505370       2.05723365       2.35312264      -0.31159006      -1.02889329       1.63192481 
Hf       5.57007959       1.41291885       7.64140323      -0.55644808      -0.50171049      -0.46431009 
Hf       1.80418971       9.15048363       2.70949802      -0.32121574       0.63634023      -1.24336284 
Hf       3.56001196       0.09704408       5.33201882      -0.41333648      -1.50840364       0.22300483 
Hf       3.86528819       3.26890502      10.15749926      -2.58456375       1.23284941      -0.39108501 
Hf       7.12912661      10.61996217      10.46608868       1.20325978       2.84051839       1.45863472 
Hf       8.89083498       2.20007666       2.40975544      -0.78225854      -5.49717361       0.32938542 
Hf       5.43372505       5.36167226       7.85820783      -2.85682510      -1.17234368       2.18641669 
Hf       9.09569245       1.47496607       7.74599812      -4.84214065      -0.72477351       0.90065261 
O      10.84748882       9.48094058       1.95633005      -2.29720513      -0.02190495      -1.77814869 
O       5.22420568       7.29253984       3.76090881       2.05522017       2.32244015      -1.79447178 
O       0.75579079       5.98385945       4.41871180      -0.09796802      -4.25954494      -1.68337156 
O      10.51417388       1.95123358       4.55108823       0.88465840      -1.08027296       0.12376909 
O       1.50025011       0.12210188       3.51165377      -0.27409097      -0.73588974       0.93117822 
O       1.82996381      10.73167590       1.03375454      -2.78773937      -0.05232880       0.84508166 
O       2.40014429       3.75494462       1.17955923      -2.62818311      -1.24090999      -1.47291832 
O       0.04169985       1.72619066       9.55957656      -0.93804676      -0.82657418       0.85972114 
O       1.46384485      10.54874499       9.00876775       0.18657903       1.14940018      -0.76533256 
O       1.64259419      10.65370501       6.03595996       0.27228617      -0.27396225       1.25413095 
O      10.74133657       0.97900592       7.13896020       3.55347820       0.50922718      -2.09561879 
O       1.86149277       3.53530081       3.65723833      -2.12846575       1.16585323      -0.40727288 
O       1.42141983       7.36662727       1.05801374       0.73233044      -0.31062582      -1.44532311 
O       1.62795116       7.01637721       8.75514854      -0.29107535       0.49183828       1.98694523 
O       0.34152722       1.79832014       1.48862812      -3.69446665      -0.67340133      -0.33239760 
O       3.31563652       5.54497567       6.84723347       3.87548933      -0.05516538      -1.36904833 
O       3.56494764       1.23472378       6.96657312      -0.18172029       1.14198057       2.84328517 
O       5.68501011       3.16796125       8.74706476      -1.68740939       2.20881858       1.64464012 
O       0.07859703       5.12742126       1.64607465      -0.66072255       1.07274450      -0.93612755 
O       1.97901854       7.67187085       5.97742074      -3.90061161      -0.53787569       0.36924885 
O      10.79870953       8.79976542       7.03853974      -1.88979244      -0.59456299       0.00224822 
O       3.52258495       1.73254481       4.38127316      -0.25507505       2.33247893      -1.39055285 
O       5.62874810       0.18587051       3.47470131       0.17014983       0.26192115      -1.09563392 
O       5.39472980      10.54790226       0.84610092      -0.76443553       0.10483983      -0.20217917 
O       3.62172306       1.38434954       1.56940788       2.38595709       0.17195328       0.04970311 
O       3.47979849       1.41252509       9.72170813       0.26534821      -0.16086077      -1.52061553 
O       5.64336997      10.64217612       8.91575666      -1.62335167       0.99797771      -1.25542691 
O      10.48717359       9.01407508       9.85066958      -0.06856517      -1.24847417       0.87223430 
O       3.65145753       5.74320641       4.31134731      -0.76332659      -3.93898620       0.06646782 
O       4.76710592       3.70183881       3.38387905       0.53047915       0.43175016       0.95141727 
O       4.91662968       3.73267326       1.00609363       3.43279476      -0.56766821       0.24563618 
O       8.91458901       7.23187088       6.52982432      -0.26974040      -1.21647417      -0.95699587 
O       3.61888775       5.32263625       9.57884672      -0.15717071      -0.84911952      -0.74989554 
O       5.00267350       3.58301014       6.39282502       2.36074420       0.69030589      -1.22119451 
O      10.58233762       4.88605565       9.46359148       0.73234395       1.54725913       0.53605097 
O       9.14391343      10.30127799       6.21906032      -1.50395645       1.53578194      -1.36152705 
O       1.41767134       3.57686481       6.39257332       0.54188160       0.17347716      -1.07865514 
O       7.02699576       1.72195803       1.24063676      -0.79174185       2.75039484      -0.73657612 
O       8.81107694       0.41370776       0.87430498       2.81994727      -1.52415678      -1.74141906 
O       7.15474020       9.07906158       3.98725167       0.69428084      -1.13629773       2.08922926 
O       7.30153461       2.58828521       3.68948502      -0.79592854      -0.12921572       0.89342241 
O       3.60511256       9.07151946       6.77518894       3.27083796       0.33738677       0.94849605 
O       9.08436417       7.05030027       9.09320537       0.54147182      -0.80102780      -0.98432961 
O       7.12424264       1.35576205       9.26219308       0.21690781       1.61790344       0.33150297 
O       7.13258827       8.85770524       9.47305947       0.95958763      -0.46047196       0.01367807 
O       5.27089479       7.15902827       8.92596847      -0.29765479      -0.11338589       2.09986988 
O       9.47831333       6.91027558       3.67377737      -2.49261960       0.26142035      -0.08063836 
O       5.62290822       6.94802524       6.49049872      -4.28939117       0.64189196       0.58317004 
O       7.20862335       8.97488503       1.42364964       1.18940525       0.34125684      -0.08396457 
O       9.00327224       7.21479157       1.00626699       0.41731414      -0.98761691       1.23119277 
O       7.04539615       5.45892878       9.52597478      -0.87227327      -1.99386628       0.59754188 
O       3.40270758       9.09514148       9.49580617       0.92073041      -5.48580291      -2.62799819 
O       8.96091591      10.81694919       8.93561823       0.04870024      -1.20974605      -0.08962121 
O       7.16494637       5.30968451       7.12577662       3.13043941      -1.55256904      -2.74514081 
O       5.53860191       0.05381456       6.01057759       0.05942619      -1.01933098       0.85214055 
O       0.04165022       5.78458503       6.90078907      -0.39217314      -1.25266084       0.13579591 
O      10.65498248       8.79155510       4.22138197       0.88329418       4.92757627      -0.80341880 
O       2.45303142       7.49350433       3.42138146      -1.79045194      -0.93013927      -0.09726715 
O       3.56529823       9.38281678       4.04732369       1.42994108       1.61141761      -0.57736466 
O       3.49249134       6.04204512       1.73473613       1.79485022      -0.32437994      -1.64994484 
O       5.51373124       7.34608696       1.10445291      -3.54345962      -1.09484908       1.58045947 
O       8.72479154       0.09065696       3.19588754      -0.16118364      -0.10234149       2.21656866 
O       8.61396579       3.19449449       8.57855536       0.13275626       2.45491508       0.77107267 
O       7.12642804       5.14003830       1.57440213       0.01228732       0.58155992       0.34713048 
O       9.32224259       3.37107772       0.77683131      -2.14876858      -0.27846173      -0.61426240 
O       9.58026187       3.76180242       3.31323765       0.31618996       3.82411036       0.90848477 
O       6.81912977       5.53517849       4.22043195       2.28845182      -1.31507388       1.14603997 
O       3.63558152       8.85145900       1.33834288      -1.73757029       0.27225133       1.04749400 
O       9.13244951       3.71939317       6.04456190      -0.22113600       2.31609436       0.00014648 
O       7.38681195       1.62371185       6.30686670      -0.00857337       1.12781163       1.46164356 
O       1.76748514       3.23601609       8.97768271       1.65303381       2.26642450       0.65057254 
O       7.28003390       8.98959674       7.08077163      -2.53006407       0.49152629      -0.75785222 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005202008706030421 -0.0024591934864413674 -0.0027775277096341463 -0.0024591934864413674 -0.0061185402425265505 0.0008782230259341955 -0.0027775277096341463 0.0008782230259341955 0.0035495938126723662" pbc="T T T" energy=-972.53102973 free_energy=-972.53102973 config_type=crystal 
Hf       0.84948200       0.31452723       3.74682549       0.55242300      -0.91093671       0.70133168 
Hf      -0.08771699       5.42116226       8.89044426      -0.20391874       0.48012419      -0.10565329 
Hf       0.37361087       7.59401251       6.24544265      -0.10196124       0.15452225       1.66738742 
Hf       6.01938212       5.38250257       3.76642126      -2.08059388      -0.05649763      -1.91887850 
Hf       8.66268286      10.19045671       1.58339940      -0.16115821      -0.57208880      -0.79878876 
Hf       8.13194223       8.07714410       4.13718831       0.87462306      -0.14407753       0.04420976 
Hf       6.37157920       7.59579496       1.16271834       0.36997358      -1.26818515      -0.94036813 
Hf       1.27651567       7.50287590       1.09914444      -0.80764495       0.12736946       0.76852571 
Hf       3.01175400       8.00732454       4.27597286       0.19328037      -0.48862935      -0.95039562 
Hf       3.40271877      10.14063587       1.65245817       0.20941409       0.20841581      -1.09613165 
Hf       0.75870977       5.40843529       3.75647941      -0.11789833      -0.52854472      -1.63647703 
Hf       5.48111389       2.34202265       6.34223368       0.49197402       0.30024796       0.35686599 
Hf       2.52359417      10.12299429       6.94135590      -0.03300803       0.96849261      -1.46228908 
Hf       5.90420861       0.29038829       3.66108349      -0.39859571      -0.61252372       0.65017206 
Hf       4.99944613       5.41076656       8.93833481       0.66375678       0.14523624       0.49055702 
Hf       7.70415852      10.15051538       6.87708466       0.12567744       0.53563567      -0.84336829 
Hf       7.31218267       2.89139009       9.27868492      -0.71726002      -1.49627481       1.14118617 
Hf       2.06340643       2.81052855       9.30400319       0.41634154      -0.35409804       1.15799606 
Hf       3.47507150       4.91123098       1.48927709       0.85325581      -0.12673089       1.12118245 
Hf       3.04318400       2.85730441       4.20538520      -0.34157098      -0.04102241      -1.61242881 
Hf       1.17999550       2.41947929       1.08819632       1.61902395      -0.33055120      -0.72685719 
Hf       4.96945336       0.19275723       8.98499143       0.85230963       0.33966035       0.60440853 
Hf       7.69996960       5.07401989       6.68085466       0.41023169      -1.03345151       1.37047225 
Hf       0.24074477       2.43570716       6.24985027       0.96851609      -0.61327751       0.76542580 
Hf       8.11626852       2.77018812       4.09307766       0.09917345       1.50550072       0.33928278 
Hf       6.35625401       2.31459102       1.00662683      -0.40711691       1.11594145      -0.06527331 
Hf       5.55244103       7.61038533       6.35011878      -1.21519750      -0.20587644      -0.23901909 
Hf       7.22840931       8.02387628       9.51452543       0.22895299      -0.82843897      -0.34972280 
Hf      -0.11127978       0.18228661       8.98505454       0.28663218       0.33292439       0.56576223 
Hf       2.65095955       4.98549728       6.77777957      -0.82184728      -0.13680235      -0.87981428 
Hf       8.60053147       4.94632337       1.45192661      -0.33653132       0.06423537       0.48700879 
Hf       2.12952238       7.91741201       9.53642440       0.09130621       0.65740215      -1.22029718 
O       8.88872891       3.56450625       5.94772807       0.27545986      -0.13328547       0.15980003 
O       3.75090693       1.70843938       9.68424282       0.69805832      -0.44095304      -0.42270897 
O       6.28555215       3.82044936       7.73228958      -1.24467983      -0.01208556      -0.59616905 
O       8.49245428       4.35015794       8.63257573       0.57129481       0.57421044      -0.22050868 
O       4.31554066       0.84527733       7.05928388      -0.93514734      -0.39436423       0.02904413 
O       6.49969484       3.98056319       5.21213394       0.61133591      -0.15660310      -0.90062079 
O       6.55840890       1.22964740       8.04837977       0.55178182       1.16811919      -0.51943746 
O       9.32898212       9.60519351       3.49081608       0.27976180       0.02332902       0.29611963 
O       5.58133293       3.86654829      10.30141775       0.94286531       0.06624138       0.14793988 
O       6.56729018       6.47245909       7.97691531       0.83422079       1.08071228      -0.13972015 
O       6.05931527       9.06175831       7.77554097       0.49258027      -0.73971689       0.10060755 
O       3.95762497       7.01381166       9.64212949      -0.68911422      -0.43490683      -0.26882796 
O       8.89137120       8.62879054       6.07110910      -0.47462351       0.32684028       0.11464774 
O       8.38865832       9.62814775       8.84545167      -0.61824023      -0.93118377      -0.35354575 
O       4.35778766       6.03055537       6.97686794       0.02727243       0.11124823       0.26772591 
O       7.18793207       1.36412639       5.44473534      -1.04567771      -0.70351848      -0.64740375 
O       6.61244015       9.15851648       5.11457300      -0.39096378       0.35884975       0.17156642 
O       7.43755791       6.54078672       2.70276166       0.87553770       0.60518401       0.69844061 
O       7.05600989       9.12542058       2.46284618      -0.19989254      -0.26890814       0.84683784 
O       4.79725040       6.96989906       4.37912011      -0.11066567      -0.00947562       0.36031516 
O       9.69329151       8.46391599       0.99906410       0.15702241       0.99211815      -0.71325644 
O       7.92765720       1.14905029       0.09929752      -0.12548479       0.63737677       0.36026733 
O       5.21120965       5.93166261       1.66940129       0.31090472       0.67422398       0.52611586 
O       7.95373659       6.40172124       0.08026721       0.25589453       0.16131467       0.02385432 
O       7.51393975       1.33782689       2.69228071      -0.02329268       0.11388870       0.20989461 
O       0.60864042       9.08198291      10.49448203      -0.76021812       0.25215578      -0.11511183 
O       4.76289304       1.83756145       4.39732371       1.90441652      -1.69655518       0.24663009 
O       1.96075638       1.30419434       5.33163984      -0.69467572      -0.13706622       0.75856858 
O       1.34035669       1.32101072       7.99005658       0.71774651       0.43128167      -0.60179292 
O       1.01179552       3.91494567       7.67095199      -0.31262871      -0.64478165       0.06272464 
O      -1.31485989       1.77833843       9.61111401       0.80153907      -0.32323609       0.25138613 
O       3.76514518       3.42178879       6.05397488       0.04494052       0.53945854       0.79371416 
O       3.36349641       4.26829675       8.61766133      -0.42927403       0.14536935       0.03725712 
O      -0.88875484       0.81962411       6.96347108       0.58844052       0.62527342       0.51536783 
O       1.48851313       3.95246097       5.02515391      -0.78446555       0.03568673       1.50402253 
O       2.81752253       1.17966987       0.07716743      -0.70523131       0.38174120       0.48383269 
O       2.52385017       1.37000325       2.77551223      -0.90559373      -1.02419432      -0.45928646 
O       1.88308715       3.79729126       2.51284818      -0.14413099       0.27999969      -0.59227402 
O      -0.36760891       1.83011098       4.37412698      -0.30299376      -0.18101312      -0.19658727 
O       4.60427069       3.41210327       0.73609553       0.60723559      -0.34291654       0.19817346 
O       4.28471585       4.25571400       3.39880670      -0.19227026       0.80747708      -0.04138989 
O       0.14682011       0.89439174       1.89126195      -0.73497350      -0.21764188      -0.87426602 
O       0.64885001       3.94360096      10.33977986      -1.53071024       0.22146577      -0.48662756 
O       0.05551761       5.95185127       1.71760842       0.23665198       0.31248638       0.19667362 
O       4.19947282       9.52120771       3.55792731       0.32546997       0.56187106      -0.54260775 
O       4.63894812       8.50499246       0.90320468      -0.84460938       1.14939114       0.53421250 
O       9.78980638       3.44182274       0.74035782      -0.65314279       0.30521505      -0.16142789 
O       9.29606347       4.32214789       3.33261878       0.08414682      -0.21047646       0.76638760 
O       5.18650330       0.79506924       1.75700441       0.05591915      -0.15475962       0.56880484 
O       7.08699002       6.47327037       5.31745292       0.14567270       0.64081435       0.03756816 
O       1.98757504       6.39793273       5.29534992      -0.25170877       0.71421459       0.80824127 
O       1.44493451       6.51252532       7.91270371       0.80517584       0.36645045       0.52400372 
O       0.90513132       9.04519825       7.81158486       0.26657005      -0.18252628       0.26998256 
O       6.99235610       3.89410377       2.48788819       0.13747334      -0.96684591       0.00448487 
O      -1.21703590       6.99142390       9.66110447      -0.47860835      -0.12660962      -0.13433787 
O       3.24114972       9.56056646       8.79006140      -0.55187766      -0.55262542      -0.08289147 
O      -0.84212812       6.11831232       6.95042631      -0.18546545      -0.60228648       0.81725431 
O       1.44786953       9.22459824       5.21743736      -0.10211388      -0.64177065      -0.08018854 
O       2.85829844       6.44226136       0.09353533      -0.18938169      -0.49383892       0.11031491 
O       2.24860794       6.47561452       2.77663632       1.05699757       0.65229843      -0.59536202 
O       1.83132747       9.01604153       2.61750090       0.38743597       0.21434270      -0.23163708 
O      -0.35684353       6.93278315       4.47637611      -0.98573878       0.29442210      -1.31093544 
O       3.68659605       8.59534948       6.18751271       0.58048251      -0.25212579      -0.12886382 
O       5.64001688       9.08437850      10.39778729       0.40946379       0.01226659       0.11532832 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0013164266677083696 -0.0019524421461337058 -0.002821670814134501 -0.0019524421461337058 -0.004977293793001527 -8.258680614995529e-05 -0.002821670814134501 -8.258680614995529e-05 0.0026910944798627288" pbc="T T T" energy=-972.88212977 free_energy=-972.88212977 config_type=crystal 
Hf       0.89066636       0.24783119       3.70896752      -1.44651943      -0.41921315       0.22445000 
Hf      -0.07061832       5.39248577       8.98655486      -0.55556842       0.13094946      -0.95685301 
Hf       0.36606698       7.67199365       6.37217715      -0.63756198      -0.76260756       0.11586116 
Hf       5.92299850       5.43281362       3.76414505       0.40820783      -0.17879332      -0.78983122 
Hf       8.64388137      10.12197033       1.55678430      -0.31407280      -0.11015922      -0.16658373 
Hf       8.19908836       8.00385792       4.15862809      -0.34266549       0.30985898       0.26408876 
Hf       6.39585935       7.54554947       1.09310114       0.00665160      -0.39887523      -0.15616595 
Hf       1.23328262       7.53122593       1.02384485      -0.28938282      -0.40050414       0.29944285 
Hf       3.01735499       8.02571505       4.17562707      -0.34513949      -0.40698807       0.05947732 
Hf       3.53275058      10.10654427       1.61905728      -1.75591243       0.48679096      -1.68589869 
Hf       0.75746408       5.50431631       3.71050817       0.63239759      -1.33134591      -0.17525676 
Hf       5.51450839       2.45398214       6.31433226      -0.86645291      -0.22026461      -0.36727687 
Hf       2.59604771      10.25542962       6.80571554      -0.85260307      -0.55094368       0.40521296 
Hf       5.90932245       0.17881137       3.73994498       1.11174437       1.27033855       0.08630485 
Hf       5.01205948       5.30831253       8.95558433       0.07473437       1.48716430      -0.06223947 
Hf       7.69016236      10.16651415       6.77245357      -0.30890147       0.03018808       0.35073516 
Hf       7.27587091       2.82257080       9.41891257      -0.40677263      -0.22211209       0.05949600 
Hf       2.02473795       2.90156104       9.40288311       1.16793394      -1.10217323      -0.55801085 
Hf       3.48036552       4.96179670       1.58284507      -0.22370815       0.10624645       0.27503673 
Hf       2.97799712       2.85866232       4.16264729       0.74760246      -0.07491814       0.68006720 
Hf       1.20132518       2.35463086       1.08258659       0.47490283       0.35902100       0.16240186 
Hf       5.01620799       0.21480855       8.96313635       0.02724806       0.11297086       0.53318759 
Hf       7.79430662       4.97706836       6.82371239      -0.40424831       0.35164034       0.00653697 
Hf       0.29146485       2.35788022       6.30647541       0.42744919       0.92494740       1.08562022 
Hf       8.17752358       2.78800790       4.10523839       0.12163400       0.40068274       0.58593030 
Hf       6.36357289       2.36411772       1.09252319       0.05626861      -0.11651677      -0.58603007 
Hf       5.49901066       7.50059399       6.31076511      -0.31488817       0.42159514       0.97805147 
Hf       7.24782082       8.00881461       9.35555666      -0.07052774      -1.26661634       0.78773965 
Hf      -0.14950565       0.23954556       8.96090015       0.32515753      -1.01017344       0.14976878 
Hf       2.47644943       5.04142356       6.69234440       0.94609167      -0.46187377       1.33321615 
Hf       8.57755254       4.97071158       1.50398011       0.48749476      -0.11008888       1.39214738 
Hf       2.09366513       7.99639592       9.44681020      -0.27761909      -0.26606536      -0.43514462 
O       8.81540066       3.34393119       6.12518008       0.09675705       0.54942261      -0.43927264 
O       3.92880796       1.82379909       9.61362323      -0.78327033      -0.12050513       0.35950138 
O       6.12841506       3.89033698       7.86211630       0.20213559      -0.94496730      -0.96535352 
O       8.48007600       4.31226734       8.70531811      -0.49048943      -0.52412145       0.00133057 
O       4.35473976       0.76056640       7.01172757       0.01773464       0.84724843      -0.35586015 
O       6.64684789       4.00947834       5.11998647      -0.40579248      -0.35788438       0.76925253 
O       6.52027953       1.32550234       7.96371880       0.86560912       0.40588882      -0.31793502 
O       9.39116894       9.48895343       3.42753010       0.39317508       0.38899758      -0.06794907 
O       7.46411325       3.99078059       0.01412854      -0.47396919      -1.14775153      -0.93572734 
O       6.62427960       6.48040715       7.95010574      -0.06496162       0.04651915       0.25338415 
O       6.13253827       8.93215589       7.79301363      -0.60019278       0.78721168      -0.51413528 
O       3.85475673       6.91335798       9.70952886      -0.16029499       0.06473437      -0.29990789 
O       8.88925364       8.64062249       6.09385284      -0.41316049       0.39514920       0.12265233 
O       8.32753905       9.57724195       8.73817654       0.74418732       0.33328635      -0.45146317 
O       4.32036449       5.96414060       7.01918540       0.13428450       0.97991771      -0.34008423 
O       7.01738782       1.35563752       5.26572367       0.22638276      -1.06349245       1.04787745 
O       6.58258464       9.12287340       5.19307517      -0.14460794       0.77950949      -0.52945714 
O       7.54841509       6.55103269       2.77908642      -0.27825940      -0.98835786      -0.64641116 
O       7.02977604       8.97942207       2.55255006      -0.21723911       0.79282826      -0.20057233 
O       4.77967907       7.02203527       4.35431479       0.04789213      -0.55443412       0.35777959 
O       9.73253063       8.50001592       0.80697553       0.26558364       0.81774320       0.43359388 
O       7.94302034       1.19584465       0.06209710       0.11448446       0.59066613       0.74174166 
O       5.22328348       5.98621873       1.79948663       0.42941280       0.19484568       0.11430253 
O       7.99407341       6.39738848       0.12705267      -0.54171160       0.80746844      -0.27902264 
O       7.57388129       1.26344776       2.74029065      -0.58399897      -0.19180226      -0.46061663 
O       0.38007810       9.02468469      10.39801536       1.01413206       0.65821401      -0.39921528 
O       4.75026779       1.77811306       4.36099379      -0.05246577      -0.44152628       0.59486817 
O       1.98377636       1.46090420       5.41493331       0.14459127      -1.79758358      -0.13618376 
O       1.44035598       1.34363403       8.01160305      -0.06427346       0.33057153      -0.18101212 
O       0.99485325       3.93699283       7.75492507      -0.08126533      -0.71727450       0.33341821 
O      -1.33087019       1.70223460       9.66126134      -0.57152658       0.54117639       0.29531764 
O       3.75688887       3.58305044       6.01371616       0.67231565      -0.87083254       0.01049177 
O       3.33871064       4.28325691       8.62695140      -0.97890570      -0.11365776       0.35102051 
O      -0.91262605       0.89704958       7.02885843      -0.05389977      -0.64147927       0.55857575 
O       1.36397062       4.00088879       5.25481199      -0.07665933       0.29089746      -1.30785083 
O       2.68907712       1.23152056       0.11480164       0.88762660      -0.48241111       0.03655513 
O       2.40642224       1.28446223       2.73503804      -0.12103146       0.35859358       0.25319972 
O       1.92604392       3.86448239       2.66179468      -0.34640166      -0.32307666      -1.55268360 
O      -0.35353954       1.71049375       4.46929682      -0.09021351      -0.28127773      -0.71529647 
O       4.54971130       3.44580648       0.78605406       0.74751994      -0.34460961       0.08744085 
O       4.28122321       4.25954023       3.46123509       0.06077509       0.87582603      -0.38998176 
O       0.03475350       0.90261576       1.84541703      -0.06154860      -0.46979724      -0.08094085 
O       0.41714452       3.88901513      10.33376754       0.43588907      -0.57705380       1.01442054 
O       0.07049971       5.95484097       1.80507137       0.59819364       0.92378159      -0.34092207 
O       4.25044842       9.49566691       3.41584631      -0.42016255      -0.11984788       0.58563691 
O       4.51087173       8.49923738       0.88462358       0.77303726       0.24654027       0.07715266 
O       9.76429374       3.43444022       0.80061060       0.07691109      -0.00446524       0.01081811 
O       9.45198394       4.29912798       3.42720322      -1.28792957      -0.56179385       0.29217435 
O       5.12626084       0.89483208       1.79267270       0.89529575      -0.20555800       0.15743597 
O       7.11932075       6.52808686       5.34920385      -0.36347986      -0.72349424       0.31202528 
O       1.91180453       6.52528502       5.31720101       0.39532254       0.25063906       0.08713180 
O       1.43489315       6.63811542       7.92955757       0.84491032      -0.46673592       0.45726731 
O       0.81812893       9.09407108       7.76522561       1.01027799       0.46173593       0.68220812 
O       7.00571418       3.74396878       2.59340143       0.28253321       0.79916002      -0.73037615 
O      -1.30372946       6.81782628       9.65649849      -0.71205228       1.22266311       0.38378707 
O       3.18165283       9.56930428       8.80623356       0.42128517       0.34610947      -0.70137856 
O      -0.81499218       6.02285896       7.12710768       0.03367759       0.69784834      -1.31270976 
O       1.34924868       9.27419153       5.27893394       0.83744619       0.00065854      -1.25202707 
O       2.79170765       6.30267959       0.04183706       0.67639520       0.96326958       0.85514460 
O       2.49108526       6.53940075       2.73544536      -0.79562576      -0.19325585      -0.19054498 
O       1.88314587       8.98817964       2.53685683      -0.02101189       0.59312242       0.61808743 
O      -0.34945164       6.97295848       4.44643232      -0.54187733       0.30528251      -0.01715086 
O       3.69977623       8.64653530       6.05786608       0.24360973       0.02581357       0.29273552 
O       5.68395222       9.13871444      10.44211541      -0.42377956      -0.45580902      -0.42787103 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007146523586321452 0.0009042149730512408 0.0012000457908566682 0.0009042149730512408 0.0028378633297805266 0.0015802937061556704 0.0012000457908566682 0.0015802937061556704 -0.010838908466489092" pbc="T T T" energy=-973.31286179 free_energy=-973.31286179 config_type=crystal 
Hf       0.83832523       0.19315860       3.76719799      -0.15515235       0.98005613      -1.17237752 
Hf      -0.03869589       5.48148613       8.99849613      -0.38672489      -0.80484434      -0.66161642 
Hf       0.33044499       7.61115660       6.30938617      -0.31467072      -0.48299035       0.18951346 
Hf       5.90068012       5.38056478       3.63526160      -0.11081919      -0.16640988       1.43042193 
Hf       8.56810322      10.21778454       1.56942448       0.15860397       0.20989323      -0.39324651 
Hf       8.13081356       8.03362954       4.14527806       0.24201731       0.16231613       0.18851687 
Hf       6.34947687       7.57659432       1.10480982       0.63850965       0.06444931       0.51339944 
Hf       1.21375688       7.56184083       1.09483678      -0.15404040       0.89631131       0.18819753 
Hf       2.96408140       7.93702639       4.19076418       1.33050338       0.81591960      -0.93525397 
Hf       3.50340386      10.15244704       1.50168962      -0.36633850      -0.03321923       0.94334179 
Hf       0.72261481       5.38079534       3.71447046       0.59222959       0.18178620      -0.18817415 
Hf       5.50791421       2.42414599       6.28322407      -1.23187484      -0.23618199       0.21042280 
Hf       2.62071569      10.14502390       6.78213249       0.01257449       1.16100967      -0.08781338 
Hf       5.85351949       0.19397663       3.74104450      -0.60672234       0.30308942      -1.22618910 
Hf       5.04304716       5.39840990       8.99377044       0.04634816       0.04683909      -0.76590989 
Hf       7.64711271      10.16464608       6.81452711       0.35137395      -0.10050283      -0.09775445 
Hf       7.34152742       2.88986043       9.34893268       0.25492603      -1.33849874       0.60473333 
Hf       2.13787563       2.78701375       9.41978558      -0.08760332       0.09005054      -0.66288683 
Hf       3.44310596       4.95430790       1.47267976       0.35115958      -0.88276183       0.78364266 
Hf       2.96350661       2.90812927       4.15742682      -0.11973360      -1.43437135       0.22006389 
Hf       1.21712470       2.32626670       1.12611309       0.39408459      -0.09554274      -0.20149573 
Hf       5.03440046       0.27135067       8.99794999      -0.06925854      -0.19577886      -0.52501114 
Hf       7.72800237       4.99109848       6.78259462       0.25886732       0.42453164       0.09433167 
Hf       0.25916213       2.34001847       6.36131702       1.56506881       0.67142192       0.16478708 
Hf       8.16659881       2.77485835       4.19649288       0.05579630       0.23050099      -1.16499002 
Hf       6.45816172       2.37894560       1.03052794      -0.94263848       0.18242862       0.51839848 
Hf       5.50851988       7.54985105       6.35193339      -0.93286595      -0.12812045      -0.23685884 
Hf       7.20824950       8.04011413       9.47768466      -0.07312766      -0.12044466      -0.82931719 
Hf      -0.09420874       0.15270763       8.94425892      -0.10450579       0.67812289       0.45052108 
Hf       2.56730187       5.04991701       6.78831103       0.62139400      -1.26581120      -0.02947203 
Hf       8.62921075       4.95694059       1.55707926      -0.09528054      -0.30656478      -0.82177252 
Hf       2.18700565       8.04029720       9.37699665       0.21782679      -0.55261944       0.69700614 
O       8.86256924       3.50934303       6.05527716       1.17763658      -0.78731466      -0.25291548 
O       3.77296932       1.63004283       9.82048224       0.14249743      -0.63013510      -0.57290555 
O       6.19842726       3.92581080       7.71950838       0.01075553      -0.23890545       0.48328253 
O       8.65513847       4.22528820       8.62873734      -0.72585959       0.68267199       0.05352817 
O       4.21488992       0.96738762       7.10074523       0.44848699       0.11267474       0.37918008 
O       6.66214147       3.86590358       5.12452556      -1.03494391       0.38698263      -0.35705644 
O       6.51989091       1.37885547       7.94963237       1.11305075       0.25465437      -0.35244483 
O       9.33378135       9.52603629       3.39131411      -0.13747419      -0.72979568       0.55707939 
O       5.78046114       3.91251777      10.38213722      -0.30389109       0.32579633      -0.24750996 
O       6.54158761       6.58084037       7.91858204       0.85121537      -0.16245079       1.25257959 
O       6.10401648       9.11517357       7.84797894       0.13357725      -0.38388546      -0.40904486 
O       3.85498406       6.82868663       9.79813637      -0.61264175       0.11353937      -0.24851436 
O       8.92221118       8.73121194       6.03683761      -0.18790886      -0.13723420      -0.55462730 
O       8.50324217       9.39837624       8.61426512       0.09984621       0.53090956      -0.04647741 
O       4.25131593       6.16653202       7.17521433      -0.49742977      -0.16609487      -0.00515155 
O       7.06926556       1.24276473       5.29989426      -0.04392020      -0.25503500       0.36888136 
O       6.51585706       9.10979794       5.13342554       0.43421917      -0.35270009       0.54145181 
O       7.52857787       6.51905333       2.80585388      -0.37272802       0.55753883      -0.75484336 
O       6.95013417       9.15127683       2.49233802       0.45242794      -0.85678036       1.02966293 
O       4.64787471       6.75365041       4.49897746       0.27185620       0.54933462       0.57393956 
O       9.73887634       8.74058846       0.71327671       1.36906905      -0.32268982       1.14085812 
O       6.18694624       1.27235931      10.45937102       0.36432080       0.19943936       1.08065343 
O       5.10360617       6.12901786       1.91214342       0.25505016       0.15813145      -0.72137037 
O       7.99763049       6.45238723       0.06705821      -0.25134080      -0.01580172       0.73444839 
O       7.49265694       1.44009597       2.60231254       0.14710172      -0.59697421       1.13707903 
O       0.59254760       9.08419708      10.36007812      -0.07657143      -0.13269716      -0.09626941 
O       4.65709780       1.63438629       4.53505527       0.00557441       0.26368561      -0.23752766 
O       1.95239560       1.32913666       5.39926865      -0.59188368      -0.76241290       0.15213023 
O       1.50408039       1.27081416       7.99414519      -0.81321122       0.25764848       0.35145174 
O       1.05822189       3.95194312       7.74511048      -0.28635288      -0.91617874      -0.10534971 
O      -1.21871417       1.70624588       9.66185872      -0.53288316      -0.15361308      -0.07255387 
O       3.80780596       3.64601916       5.91258103       0.44416764      -0.15980864       0.60850040 
O       3.47702656       4.12247955       8.62146695      -0.36503086       0.62680889      -0.21475543 
O      -0.90389236       0.87278003       7.05500521      -0.07689569      -0.25219234       0.53813730 
O       1.37046059       3.91364896       5.09502049      -0.05583377       0.46958786       0.22119330 
O       2.80945520       1.20446932       0.18237868      -0.03704413       0.29534832      -0.80083788 
O       2.33599475       1.36415278       2.77027045      -0.06497569       0.18916703       0.13360868 
O       1.80377425       3.95406669       2.47076404       0.43957960      -0.61186345      -0.35860012 
O      -0.41296653       1.64985068       4.51459782      -0.48098785       0.37702044      -0.04713424 
O       4.72315843       3.48021654       0.72632284      -0.42911071       1.03071818       0.58904342 
O       4.14609348       4.27250773       3.35397109       0.99929975       0.41018680      -0.45204050 
O      -0.01988030       0.92916255       1.84372150       0.35537880      -0.29598227       0.31755592 
O       0.58992175       3.88719911      10.31662354      -0.19582487       0.68965549       0.61750391 
O       0.03522626       6.07101590       1.80613812      -0.20929294       0.16325918      -0.02487877 
O       4.24858376       9.31207766       3.31959039       0.21566900       0.71588136       0.73613754 
O       4.72526480       8.68361816       0.79989068      -0.62830226       0.22118911      -0.83300637 
O       9.78970218       3.35200944       0.85656559      -0.57966798       1.22328004      -0.75541654 
O       9.34661870       4.25895577       3.35294991       0.11256612      -0.34990528       0.77399332 
O       5.08619761       0.96311970       1.89855587       0.74179712       0.01198526       0.08739415 
O       7.02972975       6.36715428       5.44563975      -0.20887646       1.10820343      -1.32397435 
O       1.93192688       6.48346938       5.36401430      -0.84576239      -0.18746120       0.17909631 
O       1.53285439       6.50684983       7.99821407      -0.20641771       0.51298173       0.54058365 
O       1.09245653       8.98046578       7.79515365      -0.70482263       0.43297003      -0.73772684 
O       7.00991991       3.95227914       2.47751455      -0.24451497      -0.62952448      -0.14944837 
O      -1.34515983       6.89518795       9.72823849       0.43916939      -0.26388866      -0.10058109 
O       3.44979519       9.38921449       8.63108349      -0.44709986       0.24232339       0.09458921 
O      -0.83912858       6.15645613       7.02709350       0.09062247      -0.31149476       0.96659957 
O       1.46405122       9.14970156       5.10726659      -0.57135831      -0.39767898       0.62750317 
O       2.83271121       6.44406730       0.21002157      -0.49876098       0.45592811      -1.19562874 
O       2.29615216       6.61012614       2.74857550      -0.14503081      -0.62727742      -0.15810507 
O       1.83578329       9.15473555       2.50405027      -0.03976250      -0.76735222      -0.44518073 
O      -0.53897996       6.77517152       4.43986988       0.38639257       1.19148817       0.50783657 
O       3.75213997       8.70206685       6.01925175       0.82610950      -0.53931992      -0.06806654 
O       7.42844974       9.21635250       0.08116910      -0.28544291      -0.70373483      -2.01231243 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0020556030822341657 0.0022125408484802178 6.580776964986157e-05 0.0022125408484802178 -0.0023270239570331395 -0.0002149552836615702 6.580776964986157e-05 -0.0002149552836615702 -0.0028269729449293935" pbc="T T T" energy=-972.84202147 free_energy=-972.84202147 config_type=crystal 
Hf       0.74943605       0.31564200       3.77732108       0.70315334      -1.86567679      -0.26833919 
Hf      -0.15607427       5.39638857       8.97634399      -0.30586017       0.02576272       0.31121171 
Hf       0.33474675       7.51920924       6.43115012      -0.18910965       0.82199526      -0.29305787 
Hf       5.92720855       5.39022889       3.61643395       0.23729948       0.06986237       0.11414565 
Hf       8.62379387      10.18501147       1.52120558      -0.17841878       0.26813894       0.32260445 
Hf       8.23077438       8.02993205       4.21660812      -1.09514367       0.33769676      -0.25502433 
Hf       6.51011716       7.55439733       1.04132790      -0.94046568       0.29157028       1.00316541 
Hf       1.22269005       7.66566565       1.10631655       0.24548514      -1.31030335      -0.06369576 
Hf       2.95615900       7.94977726       4.14555560      -0.08876524       0.38047856       0.27576402 
Hf       3.46937229      10.21975703       1.59266774       0.27312792      -0.57854804       0.45220923 
Hf       0.71122396       5.46070066       3.66908304       0.03681655      -0.75892850       1.13952776 
Hf       5.50710470       2.36021793       6.24959847      -0.19087559      -0.42021552       0.37187319 
Hf       2.56512710      10.15829968       6.78658789       0.32988272       0.49855321      -0.04960279 
Hf       5.95391297       0.13945304       3.68684195      -0.15131993       1.39205264       0.90018852 
Hf       5.02029459       5.44647956       8.91292203       0.36284084      -0.90420056       0.30837479 
Hf       7.72374435      10.17820749       6.80346285       0.19794495       0.54020688       0.40898287 
Hf       7.23576375       2.78364480       9.41676698       0.25913484       0.52454504      -1.12648235 
Hf       2.13586598       2.83436856       9.45613829       0.28402275      -0.13132192       0.19116881 
Hf       3.40577154       4.92035397       1.50023172       0.70751815       0.91272840       0.24201077 
Hf       2.89588989       2.86022907       4.18809966       1.86599055      -0.33412462      -0.74937288 
Hf       1.17044445       2.35130669       1.08915870      -0.31432965       0.86865664       0.48374641 
Hf       5.04690787       0.18158891       8.95640043       0.48063888       0.52450948      -0.75470032 
Hf       7.59834306       4.97460742       6.80537459       0.68583882      -0.34059566      -0.16974606 
Hf       0.35334545       2.43083432       6.35919528      -0.39826351      -1.08012771       0.48500253 
Hf       8.20806653       2.84257170       4.18355616      -1.19859951      -0.20193756      -0.35718830 
Hf       6.47073781       2.33986874       1.04957842      -1.09909011       1.00725583       0.94664984 
Hf       5.40038438       7.53514764       6.25508135       1.11357006       0.80402212       0.51455493 
Hf       7.32796257       8.00575082       9.34031726       0.17082185       0.87514713       0.32475116 
Hf       0.01192346       0.25442020       9.01650190      -1.34309140       0.00087079      -0.85373471 
Hf       2.54359579       4.94124044       6.80732486      -0.24593896       0.46451350      -0.34528224 
Hf       8.55796359       4.94873641       1.48759059       0.68204592       1.43201811       0.58573189 
Hf       2.17949888       8.01643610       9.51245776      -0.84882743      -0.08558981      -0.41557784 
O       8.88845225       3.40039819       6.10324016      -0.44791572       0.94539331       0.18885364 
O       3.90271017       1.72674666       9.77022970      -0.49229222      -0.25245136      -0.76468184 
O       6.05740493       3.83315388       7.75905589      -0.05064052       0.41110211      -0.30807596 
O       8.33412476       4.33835269       8.75791596       0.93548393       0.71471342      -0.88731192 
O       4.39632988       0.80305419       7.05550188      -0.85843783      -0.11611826      -0.07159473 
O       6.53808531       3.85814940       5.12640170       0.52605176       0.79729883      -0.11710777 
O       6.65738304       1.39407767       7.92552912      -0.05636539      -0.56666808      -0.02704629 
O       9.32750821       9.63539945       3.43183912      -0.48502678      -1.07207031       0.53347729 
O       5.66946827       4.05335354      10.35410549      -0.21832743      -1.16263279       0.29529629 
O       6.58985344       6.50115179       7.97366716       0.04306087       0.29024512      -0.30469680 
O       6.20625702       9.03852654       7.79863260      -0.30573343      -0.17846975      -0.13059814 
O       3.85893258       6.90442773       9.62559800       0.34793515       0.42111795       0.68679964 
O       8.83586689       8.60486658       6.18545480       0.46102438      -0.11240428      -0.67906420 
O       8.55786868       9.63031288       8.75456900      -0.97652658      -1.20537435       0.15567059 
O       4.27037830       6.07051727       7.06328943      -0.52259787      -0.23362072      -0.26906804 
O       7.18843046       1.20731865       5.31152880      -0.53495543       0.28612630      -0.03035672 
O       6.54773542       9.15427765       5.16977384       0.10848515      -0.72243903      -0.08153576 
O       7.70663697       6.56029179       2.74556257      -1.58409715       0.53046372      -0.47811211 
O       7.00448829       9.11143753       2.51337227       0.48926791      -0.76360302      -0.48009027 
O       4.72569334       6.86414465       4.44375636      -1.03313732       0.44244399      -0.41262960 
O       9.83382892       8.74075657       0.81274445       0.00607971      -0.37085558      -0.26760107 
O       6.28491775       1.23180390      10.47751414      -0.82817949      -0.06428287       1.49314260 
O       5.27325666       6.03034922       1.73113003       0.11984564       0.66441631       0.03747000 
O       8.11547495       6.52355825       0.07946853      -0.86458138      -0.12827084      -0.09960017 
O       7.55051590       1.40316876       2.68417814       0.10142584      -0.02105449      -0.25113812 
O       2.37490466       9.24739922       0.01892552      -0.00147591      -0.70269967      -0.85721003 
O       4.79455410       1.76839969       4.41713758      -0.54075511      -0.30948194      -0.27742189 
O       2.01619247       1.28836680       5.33418791      -0.87191720      -0.49315817       0.61785119 
O       1.60504146       1.34163805       7.97996258      -0.43858256       0.27526471       0.47936587 
O       0.93110109       3.81800972       7.78578492      -0.06971669       0.43122290       0.44834975 
O      -1.27772017       1.75391500       9.71176622      -0.24844061      -0.02027358      -0.36237376 
O       3.70236446       3.48522560       6.00549262       0.73133328      -0.07853772       0.34787667 
O       3.23954313       4.31149368       8.64585939       0.70393344       0.09349107       0.32890158 
O      -0.80357943       0.83673765       7.11172076       0.97022924       0.88256435      -0.69847892 
O       1.42268031       3.97803492       5.21668983      -0.56404213      -0.39272113      -0.45395650 
O       2.70243987       1.33171189       0.16230639       1.90718923      -0.40581734      -0.06292988 
O       2.31203484       1.27272712       2.77902352       0.75438093       0.62860666      -0.41346293 
O       1.71041729       3.81206314       2.58345580       0.88644293      -0.19430156      -0.23421626 
O      -0.33914901       1.81611910       4.40627851      -0.01219842       0.41627799       0.67248316 
O       4.75153253       3.54902710       0.78597310      -0.37428175      -0.79667304      -0.51179648 
O       4.22264132       4.31181869       3.26837557      -0.66660380      -0.80921678       1.38332823 
O       0.00897135       0.94249787       1.89138418      -0.36050334      -0.33323692      -0.41244416 
O       0.50837129       3.91985612      10.46384133       0.30007617       0.39076807      -0.60875184 
O       0.03443515       6.11944663       1.89725926      -0.07837785       0.60017274      -1.43877078 
O       4.18873243       9.49767618       3.49147205      -0.02290784      -0.01849763      -0.22373406 
O       4.66695872       8.61183171       0.85842493       0.37432900       0.27792807       0.10956403 
O       9.75558049       3.53336612       0.75718816       0.47498715      -0.71393601       0.61052741 
O       9.25614762       4.39825888       3.44729430       0.42814170      -0.52041443       0.09110780 
O       5.22636269       0.86209870       1.85653568      -0.30767143       0.29175687      -0.90151191 
O       6.97949620       6.41859154       5.30196959       0.48841851      -0.14008106       0.47082143 
O       1.83339866       6.42657254       5.37002578       0.54665735       0.23260886       0.48830494 
O       1.39023941       6.49332114       8.08802095       0.44370417       0.17666390      -1.04503597 
O       1.07011393       9.06252085       7.76878048      -0.51531101      -0.39620856       0.60835313 
O       7.00556581       3.96811977       2.49109517       0.14788812      -1.37524725      -0.42827520 
O      -1.22512163       6.97034002       9.66117471      -0.45297048       0.36757995       0.40035820 
O       3.30349112       9.55637273       8.76199848       0.17696222       0.01532942      -0.28568538 
O      -0.99396121       6.14639251       7.11994765       0.28770714      -1.01959617       0.10319497 
O       1.32086435       9.03238099       5.13015377       0.54177735       1.10533978       0.00401552 
O       2.82588287       6.48934966       0.09709618      -0.24463682      -0.25588597       0.84758917 
O       2.35879112       6.36114121       2.79305157       0.66941927       1.64158795      -0.35455823 
O       1.91309860       9.01192011       2.54775549      -0.16704128      -0.21831408       0.02136009 
O      -0.44948506       6.93363952       4.48770519       0.48445328      -0.08774888       0.38528892 
O       3.69427896       8.66658098       6.07252321       0.42323671      -0.72976155      -0.36971423 
O       5.69641570       9.13010577      10.37891260       0.12513397      -0.27050596       0.11278861 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011355118152277062 0.0021836978673755968 -0.0015119484634536994 0.0021836978673755968 -0.0019142838874209595 -0.0031931111985927687 -0.0015119484634536994 -0.0031931111985927687 -0.008730195833849982" pbc="T T T" energy=-972.84255244 free_energy=-972.84255244 config_type=crystal 
Hf       0.76397073       0.17538517       3.77207719      -0.07407522       0.85708311      -0.61832928 
Hf      -0.11966749       5.43792253       8.93917170       0.63987575      -0.02311208       1.40826465 
Hf       0.35574646       7.55967643       6.30702532      -0.70515375       0.20241157       0.25526281 
Hf       5.90228928       5.42597141       3.70117882      -0.43832418       0.12934541      -0.33990836 
Hf       8.60247267      10.16287692       1.52938082      -0.21349856       0.03733205      -0.49323037 
Hf       8.12111818       8.02076116       4.10948871       0.25470640      -0.54015065       0.20327579 
Hf       6.31899091       7.54999080       1.03984039       0.60601302       0.61589379       0.98697513 
Hf       1.24539710       7.55782072       1.14475520       0.29168837       0.62727276      -0.51478418 
Hf       3.05045503       8.05757533       4.18367398       0.36424573      -0.32855721      -0.87937919 
Hf       3.50746483      10.15013509       1.59496148      -0.54711973      -0.05223369      -0.76569838 
Hf       0.85873435       5.44020829       3.78295307      -1.06477473      -0.89063188      -1.49948538 
Hf       5.42744393       2.33069307       6.32713930      -0.15393918       0.69896057       0.44351562 
Hf       2.49618560      10.19608607       6.86940989      -0.37387738      -0.18148615      -0.39729163 
Hf       5.88811096       0.21475494       3.76451425       0.98299658       0.77981284      -1.50166610 
Hf       5.13937950       5.46616845       8.94635873      -0.60579195      -1.09368863      -0.82181344 
Hf       7.76222220      10.23975243       6.73816549      -0.65277600      -1.04665827       0.20875853 
Hf       7.29326422       2.76708662       9.36018563       0.48770209       0.51151233       0.09566397 
Hf       2.09840199       2.86666202       9.44006620       1.03385286      -0.67309218      -0.39174168 
Hf       3.44349668       4.96635399       1.53546958      -0.15613012      -0.75594288       0.02851164 
Hf       2.96717243       2.79967557       4.21775552       0.82183380      -0.01109809      -1.20206230 
Hf       1.28805561       2.35391788       1.06908872      -0.75731282      -0.45501607       0.78897201 
Hf       5.02879097       0.21782631       8.90973226       0.54886139      -0.21874081       1.28279740 
Hf       7.72427125       4.94280885       6.71479591      -0.36434918       1.15653928       1.21970253 
Hf       0.31010325       2.39839104       6.35279391       0.05075284      -0.57411845       0.74783324 
Hf       8.12127901       2.89343801       4.12747716       0.28366226      -1.25976016       0.05157699 
Hf       6.38659459       2.36711490       1.03488149      -0.50314575      -0.41255662       1.27146159 
Hf       5.49830659       7.71037675       6.29996127      -0.15255543      -1.79637845       0.25006279 
Hf       7.30509834       7.96510928       9.41451923      -0.82359590       0.88125974       0.08726830 
Hf      -0.20676287       0.15849824       9.02491696       1.61337245       0.03275440       0.19399674 
Hf       2.53529003       5.00553850       6.82229607       1.71516624      -0.47895597       0.25746550 
Hf       8.60691772       4.93600955       1.50619563       0.99934190       0.32287039       0.10530392 
Hf       2.14909409       7.94097097       9.41495216      -0.64583327       0.77011143       0.75871472 
O       8.95445019       3.56576815       6.06401427       0.34086886      -0.70848396      -0.95835567 
O       3.85085649       1.69476367       9.81140112      -0.51052661      -0.44220062      -1.43508419 
O       6.18785938       3.74013477       7.77454058       0.28763252       1.20422885      -0.51471097 
O       8.60831510       4.31915569       8.62564419      -2.07168635      -1.53918693       0.14406701 
O       4.13111291       0.93098210       7.20036355       0.95620910       1.04955004      -1.02234320 
O       6.62358682       3.96440326       5.14003923      -0.46957380      -0.34099534      -0.31650964 
O       6.57054336       1.32580865       7.89652714       0.03176671      -0.58158682       0.19609211 
O       9.37615062       9.42293453       3.38468058       0.23895878       0.12632405      -0.16452799 
O       5.83995990       3.92755232      10.36826112      -1.24411506       0.29737547       0.01755012 
O       6.75454687       6.44251821       8.00579622      -0.32855851       0.67115035      -0.10710956 
O       6.14918736       9.06583941       7.73085048      -0.06902965       0.06424978      -0.21051881 
O       3.85205450       6.84788738       9.66641314      -0.37653697       0.37405291       0.01560870 
O       9.00913526       8.74678045       5.96506191      -0.33062062      -0.11628848       0.20696681 
O       8.42447881       9.48357770       8.65353815      -0.00228371      -0.06170177      -0.23270384 
O       4.36568640       6.12986830       7.04134563      -0.16182819       0.26203577       0.30096324 
O       6.99489569       1.27722518       5.33557714       0.25724778      -0.04045856       0.34245420 
O       6.65272123       9.11956523       5.11468788      -0.23675853       0.39518954       0.14335829 
O       7.40723487       6.62544570       2.71876707       0.28144097      -0.92736320      -0.55618467 
O       6.96142265       9.12155207       2.47583887       0.55988096      -0.23741860      -0.06432130 
O       4.84972306       7.02237732       4.45321854      -1.33631309      -0.43391431      -0.92078540 
O       9.86823713       8.73962694       0.79861822      -0.44412612      -0.15757721      -0.16029701 
O       6.20786583       1.21936849      10.49579219      -0.04654154       0.13251119       0.72587348 
O       5.10352300       6.03707341       1.73826160       1.15034500       0.13419333       0.76232965 
O       7.94030827       6.51345016       0.10154454       0.48791149      -1.00303115       0.18318049 
O       7.47173036       1.35302478       2.73505705       0.13295257       0.14815583      -0.28510365 
O       2.40090552       9.11620491       0.00417713      -0.74448119      -0.19189891      -1.51808666 
O       4.68676821       1.69422483       4.47839936      -0.32167405      -0.02802476       0.49976896 
O       1.90774566       1.24204167       5.41319200      -0.43919293       0.47904373       0.03069661 
O       1.40545141       1.36296008       8.01117620      -0.15494106      -0.13041160       0.15363355 
O       0.98321736       3.90271213       7.85978097       0.45211369      -0.48686885      -1.06609501 
O      -1.34347839       1.60996795       9.74097633      -0.07320575       0.62832951       0.04699473 
O       3.82672453       3.62069022       6.00216257       0.02912142      -0.80220530      -0.03536494 
O       3.42793511       4.28152464       8.61008463      -0.46509713      -0.31264254       0.54129932 
O      -0.99446107       0.98461587       7.17571363       1.23291581       0.63315011      -0.10540916 
O       1.46698314       3.90580013       5.17178870      -0.80126286       0.41991322       0.29872359 
O       2.77899463       1.18111391       0.16449314       0.01660760       0.88495999      -0.46559563 
O       2.36632916       1.23086847       2.83964361      -0.42743486       0.72140597      -0.12702726 
O       1.86816661       3.79930355       2.49536786      -0.15949541       0.06376006       0.65500593 
O      -0.52597133       1.61760742       4.59267313       0.45072489       0.03002645      -0.55225927 
O       4.61432973       3.38445231       0.82047508       0.47471126       0.77016268      -0.01133005 
O       4.18666879       4.25832342       3.37952983       0.31699721       0.45073966       0.65581684 
O      -0.02044927       0.91782975       1.83242560       0.61035694       0.19624526       0.72982010 
O       0.63444858       3.96419130      10.41844751      -0.98270939      -0.31313689      -0.30710120 
O       0.03682806       6.09944604       1.87739961      -0.66149411      -0.25043516      -0.16652672 
O       4.35251875       9.42862633       3.39586034      -0.91674310      -0.37635906       0.39115878 
O       4.57515929       8.51841558       0.87206467       0.56142942       0.54883761      -0.57618088 
O       9.88098804       3.49276989       0.69456614      -0.13159372       0.45324699       0.58692368 
O       9.33400802       4.28046140       3.36516030       0.48297767      -0.01429224       0.19530983 
O       5.03203451       0.97547075       1.89686717       1.89991251       0.37571514       0.07302877 
O       7.04658063       6.43975990       5.25835888       0.64608474       0.12803221       1.33416112 
O       1.95077974       6.46654473       5.34530152       0.11498671       0.07499774       0.09290384 
O       1.55451694       6.46384886       7.99096425      -0.10498791       1.40700241       0.19487728 
O       0.87965047       9.11135545       7.73033028       0.55884739      -0.93997048       0.49627074 
O       6.97050780       3.87872759       2.48985631       0.44087778       0.36824142      -0.15100425 
O      -1.29864211       6.96389243       9.72232445       0.78858798      -0.66724889       0.19941624 
O       3.33012958       9.47989808       8.68485320      -0.74956243      -0.73252985       0.07765502 
O      -0.75326936       6.03080785       7.12766463      -0.57677413       1.12334226      -1.44498091 
O       1.49462193       9.14188920       5.17711113      -0.73684180      -0.34042770      -0.33967511 
O       2.82045252       6.46885532       0.17137249      -0.25163844       0.05783056      -0.84750812 
O       2.31567197       6.49647024       2.70953548       0.66346188       0.43047547       1.04090451 
O       2.00655945       9.09136847       2.58156496      -1.34600503      -1.06593110       0.37830139 
O      -0.46738568       6.73691684       4.51325154      -0.12391510       0.99690733       0.13416821 
O       3.76739283       8.78743414       5.94988342       0.73906608       0.05970255       1.17356642 
O       5.65021506       9.08142828      10.31626684       0.17357238       0.18582176       0.49448411 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0026936589848908627 -0.0050483436314039615 -0.001097570222390303 -0.0050483436314039615 -0.006802699757632115 0.00013091117875335808 -0.001097570222390303 0.00013091117875335808 -0.00013729269117044402" pbc="T T T" energy=-973.38483775 free_energy=-973.38483775 config_type=crystal 
Hf       0.82530469       0.18574658       3.76878148      -0.13236999       0.21372235      -0.82832728 
Hf      -0.16725355       5.42024292       8.93056616       0.82159542      -0.48713395       0.24053136 
Hf       0.25565142       7.57108258       6.34891909       1.53238804       0.05601884      -0.58784023 
Hf       5.92585178       5.49183466       3.63701415       0.87358500      -0.84995109       1.70760154 
Hf       8.57142496      10.15708059       1.52798319       0.80673678       0.59402614      -0.03531653 
Hf       8.13526216       8.07050771       4.12840110       0.48339761      -1.32709512       0.00654332 
Hf       6.40214269       7.57605496       1.03625643      -0.24245448       0.77756077      -0.31973257 
Hf       1.25770687       7.57241638       1.21936784      -0.06512218       0.00314344      -1.49269318 
Hf       3.02879393       7.99112638       4.24013479      -1.30996101       0.99852487       0.11270112 
Hf       3.43887270      10.15655837       1.54874263       0.58657429       0.11439661       0.53743719 
Hf       0.81127047       5.40145592       3.66155328      -0.31352966       0.46364075       0.82950832 
Hf       5.49537247       2.36730110       6.37179157      -0.22480586       0.38953048      -0.53394098 
Hf       2.46357448      10.17489319       6.86198146       1.00891457      -0.35188051       0.14153981 
Hf       5.86763702       0.18577090       3.76586378      -0.00943003       0.43002992      -1.09236753 
Hf       5.11338017       5.45296248       8.92742554      -1.13811826      -1.10236813       0.47944530 
Hf       7.69008866      10.15885442       6.72296841       0.65611130       0.38473141       1.25618388 
Hf       7.32195020       2.77020007       9.39524488      -0.85806532       1.61460146       0.03329102 
Hf       2.03033232       2.85049357       9.42612342       1.52497660       0.23396688      -0.28041349 
Hf       3.56766258       5.01052958       1.53079178      -1.91263041      -0.90408747      -1.22514832 
Hf       3.03246966       2.87553907       4.12691884       0.05028291      -1.05961041       0.63341342 
Hf       1.21865361       2.40001411       1.12383814       0.15494740      -0.23054632      -0.17126756 
Hf       5.04094126       0.23065614       8.96264797      -0.50346951       0.11952031       0.20280667 
Hf       7.73600668       4.95945037       6.68063436      -0.69308255      -0.38037839       0.05413763 
Hf       0.37424733       2.33808878       6.35403833      -1.02269710      -0.38377513      -0.32804984 
Hf       8.21444794       2.81255767       4.07913803      -0.79792089      -0.10205130       1.00491637 
Hf       6.39065838       2.37246341       1.02471230      -0.62565478      -0.04713107       0.57496424 
Hf       5.44305498       7.58774830       6.38036519       0.69771243       0.42359940      -0.08335978 
Hf       7.35541240       7.96979728       9.41545693      -0.58086351       0.36233715       0.27142407 
Hf      -0.13904979       0.20102042       9.06982502      -0.30453209      -0.42522402      -0.67071516 
Hf       2.59321634       4.98283134       6.80132546      -0.59479662      -0.25623642      -0.09156953 
Hf       8.58195102       4.96080703       1.51177553       0.31760038      -0.01929888      -0.81595538 
Hf       2.04653738       7.97961279       9.43891881       1.00875697      -0.36502937      -0.05272066 
O       8.86096981       3.39243340       6.07241821       0.38782389       0.20849043      -0.63876677 
O       3.83278001       1.79848334       9.67775167      -0.14429611      -0.42722111      -0.55733629 
O       6.17168426       3.86933580       7.67694478      -0.29856216       0.27230438       0.40664396 
O       8.46785301       4.30335247       8.67468664      -0.16867528       0.20766293      -0.65753897 
O       4.29532289       0.86949877       7.06632988       0.14163443      -0.08566055       0.54026958 
O       6.55822355       3.96822159       5.04470410       0.50296449      -0.06693472      -0.06113329 
O       6.69162764       1.38630531       8.08171598      -0.95925242      -1.44312839      -1.71617319 
O       9.31081812       9.48078749       3.35780013       0.59409235       0.70798404       0.21705694 
O       5.69442907       3.89270565      10.35895907      -0.10646706       0.87027360      -0.24282060 
O       6.62567839       6.52952415       7.94433661       0.28280653       0.36794333      -0.22871565 
O       6.16530374       9.07342131       7.82353862      -0.46833669      -0.11839183      -0.64338771 
O       3.77633020       6.83615549       9.73695985       0.75830140       0.61640750      -0.28172110 
O       8.89124583       8.64023847       5.99805779      -0.83212299       1.05112009       0.77977440 
O       8.47260961       9.45312852       8.71416748       0.58098890       0.65759339      -0.61743380 
O       4.28869558       6.08239806       7.02592804       0.18120322       0.17231514       0.45279571 
O       7.04623029       1.30396690       5.39933070       0.20948118      -0.94676370      -0.28812030 
O       6.58454378       9.07520595       5.16484770      -0.45906936       1.01700639      -0.23724959 
O       7.53232360       6.58438855       2.69371079      -0.20816082      -0.18790853      -0.43386313 
O       6.91487159       9.08598234       2.51304874       0.54797172      -0.13035032      -0.08133334 
O       4.72273389       6.98948767       4.51939722       0.58180426      -0.87001317      -1.10301526 
O       9.85041778       8.67304084       0.83478360       0.04748111      -0.14612992      -0.01247670 
O       7.93588248       1.30710861       0.06108484       0.20314833      -1.07423143       0.60239198 
O       5.21784134       6.04924127       1.75686003       0.62543062       0.52894279       0.67234454 
O       8.00865493       6.46004560       0.03181079      -0.36717040      -0.35029813       0.49278162 
O       7.51634826       1.37777083       2.68048488      -0.08554314      -0.56613971       0.34510850 
O       0.61617529       9.07013091      10.47045995      -1.27846655       0.57929338      -0.39769287 
O       4.79033875       1.70813577       4.41175372      -1.03082021       1.18685182       0.45877168 
O       1.95702612       1.17500743       5.41841972      -0.21632726       0.97752838      -0.07347015 
O       1.35710757       1.28051673       8.10710891       0.59460014       0.41484682      -0.69643367 
O       1.00316757       3.78493211       7.67810079       0.20649405       0.43518695       0.81600516 
O      -1.30387725       1.73600483       9.70067687       0.92185699      -0.62350152       0.03387989 
O       3.76238251       3.48052191       6.08528814      -0.06746410      -0.22485002      -0.44300407 
O       3.26964783       4.47222417       8.73160013      -0.34214709      -1.12480280      -0.24207327 
O      -0.90971488       0.86772214       7.02407374       0.48916539      -0.34106929       0.76016769 
O       1.38711359       3.86144593       5.07457186       0.28934020       0.08336395      -0.16276300 
O       2.77683324       1.21050328       0.18332593      -0.16210170       0.66498752      -0.46210795 
O       2.32751248       1.42988190       2.76568673       0.21564446      -0.49287363       0.50043461 
O       1.86256329       3.89190009       2.42962632       0.57409132       0.76426220       0.81872284 
O      -0.39602403       1.60556392       4.48164551      -0.58783535       0.84624608      -0.41646908 
O       4.65125389       3.47733095       0.78755386      -0.12764410       0.16805000       0.32820184 
O       4.22604459       4.31617918       3.43514334       0.11867429       0.77955305      -0.35846040 
O       0.11717390       0.86374452       1.79051619      -1.08887334      -0.49046182       0.20899513 
O       0.57629596       3.99683803      10.36492351      -0.38855934      -0.50277936      -0.16737491 
O       0.03503446       6.05979002       1.80630214       0.15618605       0.21620145       0.11522428 
O       4.07272194       9.62239807       3.58685097       0.78200981      -0.08605021      -0.54437889 
O       4.65327706       8.64855881       0.87713424       0.31146042      -0.45499460      -0.01326969 
O       9.80797745       3.48847184       0.75887119      -0.06163041       0.19747768       0.73544381 
O       9.33405128       4.34633535       3.36078607       0.29583742      -0.41716736       0.76042529 
O       5.11820213       0.84140435       1.76079827       1.07570461       0.43873982       0.61435142 
O       7.07938219       6.48222036       5.26384859      -0.33063760      -0.28167426       0.59566475 
O       1.96527067       6.37680801       5.28528931      -0.08490690       0.29069813       0.82857164 
O       1.35212507       6.49062808       7.91746572       0.88546267       0.48482383       0.45608819 
O       0.97921250       9.02283896       7.82005925      -0.41902661      -0.00133096       0.17717753 
O       7.04723725       3.86195609       2.46941871      -0.30289807       0.37254233      -0.05438674 
O      -1.25495464       6.86795426       9.72130621      -0.26827460       0.51641060       0.16093130 
O       3.25100766       9.56148018       8.83997583       0.49796072       0.06064326      -0.63774831 
O      -0.87167680       6.05973090       6.97194799      -0.70966480      -0.65982763       0.64283090 
O       1.31324504       9.14981429       5.21251406       0.80147824      -0.50481868       0.01730007 
O       2.85514475       6.43910053       0.07988593      -0.25239376       0.20834400       0.88141941 
O       2.35430069       6.60696344       2.77747910       0.45207760      -0.83941892      -0.57383259 
O       1.90506220       9.06579442       2.56918309      -0.51267933      -0.12406868       0.05075806 
O      -0.32047892       7.01575756       4.46252405      -0.51372417      -0.97574521      -1.25697714 
O       3.72552439       8.75536658       6.09932270       0.24129462      -0.74917769       0.46155428 
O       5.79798746       9.11596084      10.41445697      -0.85521978       0.14161745      -0.10545956 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008588513976149015 0.0012612861614414092 -0.00063429390792918 0.0012612861614414092 -0.0020638504001817973 -0.0018505694512753186 -0.00063429390792918 -0.0018505694512753186 -0.013579478902354983" pbc="T T T" energy=-973.01649198 free_energy=-973.01649198 config_type=crystal 
Hf       0.80278455       0.19272034       3.67116709      -0.25567746       0.82664205      -0.54205225 
Hf      -0.11688013       5.47166585       8.97591745       0.16897057      -1.54582368      -1.00231018 
Hf       0.35292737       7.66069555       6.31722076      -0.86649448      -1.43828856      -0.14953999 
Hf       5.87124536       5.42149651       3.82588954       0.88603828       1.01162331      -0.34548185 
Hf       8.62071480      10.17340063       1.46192233      -0.51954607       0.19249040       0.71341269 
Hf       8.18937652       8.02235950       4.11443197      -0.92410685      -0.14047509       0.06198971 
Hf       6.31805969       7.51229242       1.08566547      -0.07843472       0.35792286       0.24709209 
Hf       1.21838080       7.52877070       1.03715948      -0.44920928       0.34372521       1.61792409 
Hf       3.03418386       8.03647866       4.20478824      -0.29495645      -0.69944463      -1.34474628 
Hf       3.49952640      10.10685297       1.51116703      -1.87300766      -0.17743826       0.00840555 
Hf       0.78996177       5.40511611       3.77220981      -0.39945388       0.44214371      -1.75576518 
Hf       5.49591553       2.35792479       6.42990517      -0.31320050       0.62022221      -1.27595509 
Hf       2.52586824      10.23001257       6.71437421       1.13334820      -0.05124636       1.02345652 
Hf       5.91063793       0.17650774       3.67818085      -0.11698720       0.13560596       0.69150605 
Hf       5.05358942       5.40954456       9.00992118      -0.52323676      -0.12017167       0.06040954 
Hf       7.83201564      10.25850535       6.72606388      -2.40262857      -1.11860245       0.14066739 
Hf       7.30075222       2.80892553       9.37759140       0.10934786       0.89934955       0.64225726 
Hf       2.15579194       2.83382266       9.49591031      -0.37313212      -0.23204414      -1.65781590 
Hf       3.45251622       5.00992850       1.60128494      -0.31467189      -0.67652122      -0.24969192 
Hf       2.99538932       2.84341830       4.16845485       1.11045183      -0.99203642      -0.37942519 
Hf       1.25114637       2.35781029       1.11443833      -0.20258572       0.55151996      -0.34929240 
Hf       5.01728325       0.20871901       8.99296967       0.82247568      -0.77238341      -1.19940002 
Hf       7.74242197       4.92849809       6.76299895      -1.01748360       2.28267907       0.37859450 
Hf       0.37795103       2.40368303       6.34424937      -0.62751586       0.46788395       0.28023989 
Hf       8.17307671       2.80573208       4.18594179      -0.53834666      -0.11217487      -1.06549701 
Hf       6.32820634       2.26757941       1.07772293       0.91837976       1.34435249       0.60711928 
Hf       5.45055369       7.62919052       6.40416456       0.92926025      -0.61729542      -0.37621971 
Hf       7.28295086       8.06166370       9.38003530      -0.30929709      -0.77730729      -0.26696924 
Hf      -0.11984430       0.22842867       8.98630810      -0.09931700       0.28474340       0.59417030 
Hf       2.56929217       4.98151364       6.77080887       1.08811968      -0.45908552       0.48174339 
Hf       8.57245491       4.89149160       1.55014058       0.22643596       0.85738927       0.17150195 
Hf       2.04828017       8.05093946       9.30209272       0.93562964      -0.59873628       1.48816617 
O       8.85634577       3.52253289       5.97920840       1.45554867      -0.72093186      -0.08578449 
O       3.84136327       1.62283716       9.75204027      -0.85590967       0.33343322      -0.05416872 
O       6.16540412       3.88892774       7.86611702       0.10017743      -0.26830137      -0.47533502 
O       8.61923956       4.19046336       8.44203925      -0.25712089      -0.04939615       1.53365789 
O       4.31113587       0.89419277       7.06526239      -0.72655899      -0.34984674       0.82794716 
O       6.47972301       4.02808715       5.22499306       0.60390356      -1.00845147      -0.05859879 
O       6.67680356       1.42039140       8.00108745      -0.43876904      -1.00847594      -0.46300467 
O       9.38825120       9.55333710       3.39794764      -0.62955728      -0.76015418      -0.01659858 
O       5.53469004       3.91378819      10.47248625       0.95452732      -0.16768913      -0.30473599 
O       6.64462624       6.53059165       8.08066676      -0.27966763       0.40553721      -0.29611965 
O       6.10193716       9.16302711       7.68209133       0.61114136      -0.29357902       0.40459401 
O       3.70455630       6.81548742       9.76204396       0.11404861      -0.01540584      -0.29210877 
O       8.91861187       8.78515295       5.93787621       0.86824155      -0.25176979       0.30876444 
O       8.47583314       9.49371707       8.65261546       0.05139097       0.42108134      -0.71973531 
O       4.38049115       5.95824743       7.10626203      -0.54809445       1.22543925      -0.32663912 
O       7.05688185       1.30641360       5.33614826      -0.06629958       0.00199051       0.06176224 
O       6.55021518       9.13868192       5.12030506       0.35302709       0.26702953      -0.67966438 
O       7.45985945       6.52903914       2.77807511      -0.11281492      -0.32214606      -0.14027455 
O       7.04940698       9.07787739       2.45263163      -0.19980894      -0.49482033      -0.13371673 
O       4.68188563       6.90470858       4.56240488      -0.25595927      -0.22700768      -0.09212140 
O       9.77016382       8.74068176       0.76849550       1.26522832      -1.15236429      -0.30647859 
O       7.95517143       1.23176899       0.06278972       0.13694389       0.08816984      -0.09150959 
O       5.03914054       6.19759942       2.00577944       0.51397947      -0.15164864      -0.60864826 
O       7.84332664       6.47821158       0.14462949       0.63933777      -0.79064093       0.20307412 
O       7.47813645       1.32523573       2.60607353      -0.17280462      -0.10460351       1.25990190 
O       0.38362184       9.00936410      10.27071163       0.92832463       0.27654715       0.00090480 
O       4.60406447       1.53169495       4.47954518       0.62317487       0.72092680       0.09232244 
O       1.88578448       1.28184481       5.38154870       0.02321166      -0.02118750       0.12827148 
O       1.44662244       1.29827842       8.05748430       0.40670152       0.71287987      -0.64022553 
O       1.02260550       3.95581454       7.74351156      -0.21949941      -0.85877973      -0.69762545 
O      -1.27180514       1.74980948       9.71348002      -0.36774405      -0.63170489      -0.41991476 
O       3.80109919       3.47002127       6.04706213      -0.58022481       0.09143643      -0.10897166 
O       3.38181864       4.17723371       8.61171925      -0.18567273       0.29480799       0.54279617 
O      -0.86128617       0.95536428       7.07662948       0.75850304       0.50351063       0.24554107 
O       1.46712335       3.93705725       5.05419023      -0.24684609      -0.16617261       1.41133178 
O       2.74177594       1.15910997       0.16415061       0.42372133      -0.10176634      -0.28997658 
O       2.31538927       1.41503354       2.72252061       0.16399213      -0.43776556       0.54246090 
O       1.86907240       3.90550151       2.48662906       0.29807469       0.06248087      -0.02817531 
O      -0.41588467       1.71187607       4.50103631       0.24374606      -0.49263533      -0.12381264 
O       4.58686231       3.39865044       0.84168878       0.52601983       0.51640512       0.69669603 
O       4.22978824       4.27116447       3.46242271      -0.22013337       0.02173647      -0.20251403 
O       0.00455924       0.89173723       1.81790938       0.26129984       0.41713950      -0.09505939 
O       0.54097248       3.78173782      10.31973560      -0.43925384       1.43607594       0.31919003 
O      -0.04079027       6.12112674       1.79345089       0.06662884      -0.27874666       0.76510830 
O       4.15974754       9.46255179       3.37906696       1.05174540       0.18412534       0.13558390 
O       4.57439282       8.65882951       0.73190853       0.48858545      -0.37140320      -0.30433798 
O       9.82910175       3.55311350       0.69771222      -0.11900604      -0.11841370       0.14950369 
O       9.47523388       4.14498712       3.40084560      -0.21652780       0.83236570      -0.48742379 
O       5.12947160       0.76836244       1.78565221       0.95773515       0.91567280       0.23568602 
O       7.00868430       6.56865421       5.38272613       0.40626183      -0.55917585       0.33658494 
O       1.90494832       6.46958566       5.41608008       0.02978158       0.17914642      -0.20562462 
O       1.51452613       6.53667787       7.96169030      -0.57693861       0.45096433       0.33511550 
O       0.95361192       9.11407895       7.71117585       0.30862165      -0.11008888      -0.37283980 
O       7.09271360       3.82370287       2.57653875      -0.84673295       0.02182883       0.19713455 
O      -1.35284368       6.82387436       9.75359771      -0.38835149       0.25515062      -0.38998921 
O       3.31969558       9.45939470       8.67826850      -0.13143089       0.30542591      -0.65293702 
O      -0.91496668       6.24520494       7.05737393       0.39836836      -0.35884534       0.74770981 
O       1.43671450       9.12855637       5.05408680      -0.15810065       0.14319164       0.99811023 
O       2.77085006       6.36718628       0.15763709      -0.03657002       0.24043036      -0.61189188 
O       2.32335122       6.54657743       2.77114283       0.02864357      -0.24474736       0.06802197 
O       1.89497661       9.06370129       2.49132093      -0.43508729      -0.05841486      -0.30817340 
O      -0.44958113       6.80474167       4.49752681      -0.33475576       0.89103134      -0.08741326 
O       3.80105328       8.81310461       5.96697427      -0.45721178      -0.13866809       0.88735470 
O       5.74393564       9.05772677      10.27631474      -1.34624199       0.88090686       0.58221865 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003641962823728154 -0.002198882229501573 -0.0024561024726694105 -0.002198882229501573 -0.004928200672443616 0.0002825695145732088 -0.0024561024726694105 0.0002825695145732088 -0.0077623925717940434" pbc="T T T" energy=-972.55522579 free_energy=-972.55522579 config_type=crystal 
Hf       0.69152030       0.27133072       3.67033335       1.90801578      -1.56074058      -0.14013761 
Hf      -0.19093278       5.32200808       8.98497988       0.36539644       0.34400331      -0.39881456 
Hf       0.37603600       7.55610923       6.39784289      -0.97997790       0.08619077      -1.50698098 
Hf       5.96206098       5.40836412       3.70369423      -0.87740836       0.82326485       0.53628345 
Hf       8.56869170      10.09195765       1.49183230       1.04141573       0.22751063      -0.30725492 
Hf       8.12567009       7.96934084       4.14996269       1.19472716      -0.32716366       0.30662139 
Hf       6.39815450       7.59476736       1.05746342       0.05109760      -2.26974219       0.07315992 
Hf       1.29921442       7.56131196       1.07746188      -1.34901188      -0.69930761       0.40722986 
Hf       3.03947244       8.07904324       4.13898727      -0.37947355      -0.72998364       0.81885954 
Hf       3.44086422      10.13557299       1.53963779       0.51846047       0.68350329       0.76115537 
Hf       0.78832656       5.36325964       3.76047373       0.88673256       2.30309878      -0.68465187 
Hf       5.48357155       2.29078384       6.38720149      -1.07386526       0.34651246      -0.61117515 
Hf       2.51680699      10.13752356       6.83766494       0.06987364       0.49913417      -1.65897147 
Hf       6.06597669       0.24904520       3.70996759      -2.71443599      -0.76716430       0.55640364 
Hf       5.03684589       5.40541047       8.93586266      -0.66779940      -0.19809597       1.34968695 
Hf       7.77267359      10.20244597       6.72235665      -0.09664613      -1.05044634       0.85817456 
Hf       7.16097768       2.79363154       9.41549578       0.48062401      -0.05749401      -0.48642847 
Hf       2.13945599       2.77992643       9.44045242       0.14360228       1.31479961       0.49987749 
Hf       3.48416286       5.05325291       1.61798769      -0.17246581      -1.11372451      -1.03617501 
Hf       3.10429738       2.80398162       4.16875517      -0.53858973      -0.42635024      -0.17749551 
Hf       1.23300653       2.44001446       1.11199799      -0.25080499      -0.60944328      -0.07433296 
Hf       5.00549188       0.17003355       8.97421237      -0.47908927       0.06912938      -0.29414385 
Hf       7.65506193       4.93968802       6.77990836       0.31646769       1.08244786      -0.38993459 
Hf       0.36383522       2.47343755       6.28890615       0.86232562      -0.95057628       0.58410394 
Hf       8.18087857       2.85122578       4.12426660      -0.71601450       0.15139898       0.86968735 
Hf       6.33446776       2.37581470       1.08765596      -0.30583457      -0.18926817       0.01399218 
Hf       5.46146722       7.63188971       6.34076906       0.23443055      -0.25766764      -0.02091337 
Hf       7.31084638       8.03288040       9.34409915      -0.37486432      -0.83220614       0.07115098 
Hf      -0.11245851       0.27435845       8.96353401      -0.48715738       0.08042742      -0.19957201 
Hf       2.56569692       5.05708465       6.76548811       0.20641817      -1.26478140       0.43962773 
Hf       8.62359589       4.99386178       1.59265146      -0.54447870       0.72665021      -1.17028512 
Hf       2.08332664       7.97707558       9.43998188       0.85852818      -0.50856137      -0.04531572 
O       8.97287613       3.53971740       6.05695347      -1.09965527      -0.41142528      -0.87647228 
O       3.73460806       1.58725684       9.78476366       0.03744799       0.43007422      -0.26024755 
O       6.13102348       3.69276136       7.72611629       0.05187640       1.55169470       0.33645317 
O       8.35001070       4.38555820       8.64970565      -0.21300291      -0.86809315       0.46526843 
O       4.20420112       0.86245810       7.09136149       0.43027898       0.47223650      -0.05141265 
O       6.49883758       4.02451154       5.17896648       1.08538388      -1.13080967      -0.00121091 
O       6.49044232       1.28677200       8.04844939       1.02955361      -0.07400684      -0.61132356 
O       9.35247984       9.44039947       3.34100938      -0.10542555       0.53032661       0.34384596 
O       5.58196094       3.84988652      10.28862720      -0.02793568      -0.18589797       0.73300307 
O       6.53682289       6.49227931       7.95308759       0.95293418       0.50084485       0.05546703 
O       6.13492160       9.10986839       7.70433850       0.11592900      -0.35984244       0.25949664 
O       3.83680580       6.83290956       9.81522071      -0.82644357       0.22354166      -1.30974134 
O       8.92586689       8.70416164       6.02799317       0.37435310      -0.32796474      -0.22746720 
O       8.50544129       9.42197571       8.56253619       0.59161104       0.93413955       0.65036278 
O       4.28590996       6.13713330       7.15792879      -0.92960539      -0.22161392      -0.80209831 
O       7.14273765       1.25401202       5.36679874       0.09778551       1.07762208      -0.08190164 
O       6.61499650       9.19038393       5.17126724       0.00074041      -0.16998811      -0.96434598 
O       7.50812230       6.51041744       2.68038470       0.11076165       0.20428751       0.75814091 
O       7.03368261       8.96859061       2.45052606       0.02109204       1.29139403       0.88155603 
O       4.76854963       6.99270825       4.50680323      -0.11898891      -0.68147032      -0.88638932 
O       9.83849372       8.68477917       0.74099206      -0.39869353       0.11574482      -0.34704446 
O       7.86350152       1.17566452       0.10704076       0.56104833       0.21021942       0.16241990 
O       5.20502630       6.01412862       1.89416642       0.39165669       1.39475792      -0.66681463 
O       7.93877562       6.34353039       0.11726707       0.28619877       0.45143379      -0.24298179 
O       7.50180866       1.30343180       2.74989952       0.98843669       0.94027798      -0.31519112 
O       0.56940932       9.03714910      10.38270635      -0.32575262       0.96816981      -0.15181209 
O       4.88339734       1.78349222       4.45876936      -0.28027675      -0.25156473      -0.51686443 
O       1.92750094       1.21870808       5.27118986      -0.38970178       0.39919228       0.93702789 
O       1.46505652       1.47721593       8.01564493      -0.32960102      -1.61611870      -0.41470815 
O       0.90800240       3.87960734       7.70346054       0.20946196       0.48449893       0.63065393 
O      -1.31984087       1.83220598       9.56427952       0.44955879      -0.79212996       0.67093446 
O       3.71876468       3.48700899       6.02570573       0.66821117      -0.21434793       0.52934817 
O       3.27163900       4.29020718       8.67366336       0.08034166      -0.13080930      -0.13015558 
O      -0.80630864       0.91473989       7.05176924       0.10404366       0.11659825      -0.20748110 
O       1.45678199       4.00339139       5.11343127      -0.04268847      -1.27485143       0.51475355 
O       2.71919260       1.21623903       0.17153325       0.18399913      -0.23569994      -0.62288840 
O       2.41427008       1.32063760       2.71508998      -0.76227878       0.19365329      -0.02494907 
O       1.90754921       3.88769140       2.52297474      -1.01389590      -0.65284162       0.30724037 
O      -0.35652594       1.76211762       4.33619729      -1.38054268       1.17951785       0.45484287 
O       4.70514164       3.50139113       0.86595542      -0.50861707      -0.36144363      -0.65480691 
O       4.18403638       4.29790286       3.37451863       0.95010088       0.21796151       1.34307561 
O       0.01755654       0.83081789       1.75995917       0.09542408       0.53607283       0.00472966 
O       2.31329361       3.86566637       0.02886957       0.15114003       0.89043723      -1.73352995 
O      -0.04254692       6.13036018       1.87612484       0.97242943      -0.05291085      -0.41359991 
O       4.12674098       9.64617917       3.66763942       0.95596802       0.39762401      -1.75516421 
O       4.69590345       8.63033787       0.84956832      -0.88295845       0.52268386      -0.12348937 
O       9.70883050       3.49180629       0.73224896       0.68912369      -0.26406202       1.12289494 
O       9.34119231       4.40784652       3.52598096      -1.14631556      -1.24301212      -0.45730305 
O       5.19117555       0.78968842       1.82354106       0.28897205       0.29916945       0.25865056 
O       7.07953616       6.51704707       5.30791954       0.15763648      -0.44036425       0.50895458 
O       1.97654954       6.44156677       5.32759795      -0.41771824       0.40572024       0.77898721 
O       1.42063738       6.42064612       8.02781690       0.29076236       1.35771174       0.06375034 
O       0.94251122       9.06706640       7.80385202       0.00426320      -0.46633448      -0.09437517 
O       6.93125686       3.89392122       2.54185290       1.43554204      -0.93286853       0.01219975 
O      -1.38060672       6.83684841       9.68195075       1.04941245      -0.14163992       0.32677974 
O       3.21739550       9.54542385       8.68902047       0.20496203      -0.86764395       0.67648498 
O      -0.88323931       6.06646007       7.04449801      -0.02218534       0.07600148       0.16736695 
O       1.45876784       9.06675126       5.16969603      -0.54744203       0.58532217      -0.22903614 
O       2.84665669       6.48064893       0.17192723      -0.39816808      -0.33237222      -0.76893118 
O       2.41076544       6.48430123       2.73932260      -0.51888376       0.59958200       0.17854556 
O       1.92761537       8.97995634       2.45166936      -0.09078199       0.52946606       0.47762415 
O      -0.34802416       6.97380529       4.38976896      -0.21705640      -0.19907051       0.80412977 
O       3.75580063       8.69580275       6.09138153      -0.21979975      -0.06389445       0.47989003 
O       5.67297991       9.04623832      10.25713164       0.09403655      -0.13115355       1.08990758 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0027747156850786076 0.0020675338892075287 -0.0008096209700977307 0.0020675338892075287 -0.0004755458543762568 -0.0006819732080814046 -0.0008096209700977307 -0.0006819732080814046 -0.0019108809105398727" pbc="T T T" energy=-972.65868463 free_energy=-972.65868463 config_type=crystal 
Hf       0.74477530       0.18711280       3.66515099       1.10132563       0.50597042      -0.00583949 
Hf      -0.03399906       5.33654006       9.00081854      -0.67322158       1.10794026      -0.35883149 
Hf       0.26294062       7.64758186       6.31045230       0.36811783      -0.68198162       0.60888320 
Hf       5.98945434       5.40575179       3.77284688      -1.42911197       0.34756778      -0.54936864 
Hf       8.57038736      10.11100036       1.44988530      -0.56973270       0.83253604       0.08547489 
Hf       8.15655431       8.02701986       4.09368134      -0.69639935       0.37167889       0.40033617 
Hf       6.39941388       7.52496370       1.10083503      -1.40898031       1.02065503       0.11178474 
Hf       1.26809698       7.52026074       1.04654165       0.23829690       0.85583326      -0.08030013 
Hf       2.99127625       8.03322962       4.16968699       1.94010148      -0.37345342      -0.46429853 
Hf       3.44827552      10.17886634       1.44211350       0.45288543      -0.43529356       1.95239065 
Hf       0.82570868       5.47483582       3.71551631      -0.28486488      -0.88752536       0.77457341 
Hf       5.57857088       2.41248548       6.41037376      -0.54139149      -0.42308011      -0.83379688 
Hf       2.64733672      10.20706269       6.75470527      -0.76440229      -0.24200860      -0.37983911 
Hf       5.93801133       0.31552044       3.71759616      -0.75559574      -1.12631167      -0.89822267 
Hf       4.93073545       5.34802725       9.03969391       1.04917536       0.81717960       0.71864075 
Hf       7.54257970      10.09637654       6.75120480       1.48320403       0.60307091       0.55460791 
Hf       7.26375225       2.82105122       9.47532307      -0.30381869      -0.12591524      -0.39906968 
Hf       2.10941203       2.75870352       9.37480328      -0.22197030       0.17824083       1.03683153 
Hf       3.49496712       4.96644283       1.59369291       0.56795201      -0.07608026      -0.11639223 
Hf       3.07709151       2.81887507       4.17463497      -0.29702291      -0.18851680       0.11459226 
Hf       1.22857318       2.38075050       1.12671803       0.32181913      -0.20720557      -0.17813804 
Hf       4.93933970       0.25629554       9.04771940       0.95708107       0.03870013      -0.96337598 
Hf       7.69691896       5.01951708       6.77739210       0.90147414      -0.19567138       1.15560716 
Hf       0.30886504       2.36790051       6.35829800       0.70946317      -0.00237054      -0.62970891 
Hf       8.20619343       2.78177143       4.13747172      -0.08718824       0.82149212      -0.05347121 
Hf       6.35673049       2.45153397       1.14046991       0.32981625      -0.29547488       0.18063679 
Hf       5.45284287       7.53079161       6.38768557      -0.25469702      -0.35281917      -0.38151499 
Hf       7.27446838       7.96451777       9.38192971      -0.21628654       0.37096869       0.26737297 
Hf      -0.12453530       0.19362097       8.90061293      -0.43995120       0.21644601       0.20206916 
Hf       2.60667852       5.00704623       6.72969614      -0.56490689      -0.23613981       0.38759766 
Hf       8.69787969       5.01430406       1.53014620      -1.56338105      -0.44080943       0.74779031 
Hf       2.10945791       8.03587811       9.36267164      -0.37517407      -0.06966760       0.73695063 
O       8.94177401       3.51584632       6.01634078      -0.24091674       0.32435220       0.85022571 
O       3.88245919       1.85348884       9.69519608      -0.07818995      -0.81909290      -0.17763163 
O       6.13082187       3.81586381       7.82024857       0.40885568       0.95652854       0.16878534 
O       8.40389270       4.41589526       8.84224910       0.23166561      -0.66536267      -1.11658565 
O       4.31264502       0.88154497       6.94497178       0.24740836      -0.28330430       0.80955230 
O       6.64484912       3.85724275       5.16959544      -0.19973879       1.14850223       0.30837606 
O       6.52895205       1.31181292       8.06678194       0.67289616      -0.19664594      -0.83710185 
O       9.33099990       9.51534364       3.43253983      -0.12112825      -0.03791013      -0.72109089 
O       7.50455687       3.92881484       0.01824057      -0.39561483       0.32819971      -0.90372359 
O       6.59396649       6.55790130       8.06076112       0.01959503      -1.30787480      -0.90598146 
O       6.05511437       8.96799150       7.76729601       0.51993347       1.08793777      -0.21876768 
O       3.73246236       6.88234087       9.83748227       0.77496728      -0.97748942      -1.15325601 
O       8.89222808       8.77549777       5.94020366       0.05065817      -0.23845192       0.44221956 
O       8.45662752       9.45200855       8.61709177      -0.35607629       0.08280560      -0.25082180 
O       4.30785308       6.06367506       7.25843325      -0.70166775      -0.04003983      -1.04383311 
O       7.13965314       1.25999278       5.34288817      -0.17969093      -0.49665623       0.61328777 
O       6.55852044       9.09893696       5.10233121      -0.24017620       0.37894152       0.17121685 
O       7.51879442       6.61135469       2.68540314      -0.00368627      -0.67731864       0.60841267 
O       6.91622516       9.11586452       2.41370596       0.99218021       0.06176795       0.40695154 
O       4.59842394       6.74573591       4.54542407       0.52463199       0.14361304       0.56902726 
O       9.75077107       8.64024158       0.78732137       0.41989904      -0.30580971       0.07437307 
O       7.88714760       1.22952926       0.05743610       0.42189275      -0.12705654       1.12849527 
O       5.08076350       6.23285203       1.96166260       0.75820131      -0.65145382       0.03012687 
O       7.96351993       6.46830952       0.13366037      -0.26656492      -0.27780626      -0.06039004 
O       7.56851440       1.34911148       2.69533859      -0.48671005       0.16770495       0.22724610 
O       0.41480892       9.10492572      10.30293971       0.59239557      -0.39349519       0.42304249 
O       4.87150982       1.84981628       4.44405342      -0.51341162      -0.46696919      -0.01699765 
O       1.94389317       1.32213578       5.35900751       0.05078066      -0.72870809       0.02482558 
O       1.56729543       1.33439820       7.95820537      -0.71387203       0.22244588       0.25583554 
O       1.00151860       3.89437589       7.69655924      -0.03393907      -0.07028156       0.77536741 
O      -1.34782942       1.69738067       9.74002319       0.77221736      -0.01765008      -0.17309151 
O       3.88648882       3.50950637       6.07360698      -1.00795505       0.61397801       0.03314211 
O       3.31327012       4.21133019       8.73878715      -0.05000006       1.02049795      -0.83292521 
O      -0.82359664       0.85923472       7.05201317      -0.77833184       0.11214476       0.01601795 
O       1.46947654       3.99867430       5.17150276       0.58246162      -0.10560427      -0.57222681 
O       2.86794239       1.23841047       0.15023292      -0.87856336       0.52987727      -1.36778562 
O       2.45565809       1.31073264       2.70400115      -1.42715341       0.74486794       0.53324814 
O       1.86900207       3.96080687       2.51276533      -0.23938474      -1.03515422       0.04731561 
O      -0.33041988       1.75118100       4.42757684      -0.28855656      -0.17495662      -0.22555831 
O       4.65052712       3.43004326       0.86900626      -0.52066004       1.13705665      -0.40314243 
O       4.24330845       4.26472571       3.41606210       0.33531942       0.36429379       0.33247947 
O      -0.02494437       0.87860680       1.75470909       0.78402134      -0.06712640       0.74171446 
O       0.59957611       3.91392472      10.43365729      -0.61322824      -0.51723347      -0.56169903 
O       0.05948774       6.09492792       1.81973375       0.48341940       0.22899404       0.14336646 
O       4.26706262       9.46612855       3.45660171      -0.06565654       0.61711196      -0.11458249 
O       4.56617225       8.68046023       0.76476045       0.51962856       0.07554320      -0.06188899 
O       9.74642821       3.45038299       0.85096594       1.10698993      -0.34832749       0.36262402 
O       9.33673848       4.34005494       3.46302555       0.31651513       0.13690164      -0.58958467 
O       5.05870302       1.05907439       1.85455936       0.79712254      -1.25366266       0.34757699 
O       6.99133780       6.49169704       5.37783958       0.84112060      -0.84326939       0.01874133 
O       1.82689763       6.52528232       5.34770888       0.25034952      -0.52804136       0.43418801 
O       1.49307571       6.57111162       7.96392462       0.00347919      -0.21215325       0.12041112 
O       0.91601747       9.14760230       7.73869788       0.60067530      -0.87898822      -0.68738780 
O       6.95236571       3.95844194       2.59554733       0.76653573      -0.75818796      -0.73720351 
O      -1.33529564       6.82088965       9.70092331       0.86949928       0.35583453       0.67756101 
O       3.22709677       9.61525401       8.72876235      -0.13616854      -0.26645655      -0.39849405 
O      -0.87553466       6.16264064       7.16211422      -0.47397159      -0.41317115      -0.62215117 
O       1.51715569       9.07919696       5.08621323      -1.29053983       1.43077445       0.58305613 
O       2.90648515       6.37575184       0.14626842      -1.29699126       0.90227167      -0.57340597 
O       2.41976312       6.56734784       2.80268344      -0.87507333      -0.35104444      -0.86609563 
O       1.88185146       9.04956498       2.51134355      -0.24637209       0.09210422      -0.73462609 
O      -0.54188667       6.81439987       4.45437518       0.37085366       0.70063119       0.28680276 
O       3.79059673       8.58098978       6.15032373      -1.16577618       0.98535048      -0.15012930 
O       5.56818329       9.10847068      10.29411313       0.82597355      -0.20561109       0.68596730 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010667189052768884 -0.0001723076697138134 -0.000678221324598672 -0.0001723076697138134 -0.0060994620712418275 -0.0019297003275807632 -0.000678221324598672 -0.0019297003275807632 -0.0032507407188349857" pbc="T T T" energy=-972.89612174 free_energy=-972.89612174 config_type=crystal 
Hf       0.82092868       0.21786122       3.64564563      -0.56965728      -0.09406494       1.09584231 
Hf      -0.13738520       5.44869353       8.97193070       0.97174510      -0.64720073      -0.96240524 
Hf       0.34794366       7.67588637       6.27670604       1.21727765      -0.87803531       1.27585946 
Hf       5.90973540       5.38052166       3.69139258       1.00739997      -0.07627461       0.19096570 
Hf       8.59943089      10.07413091       1.52439881      -0.38098059       0.57269915       0.50462388 
Hf       8.21594508       8.01542034       4.25486931      -1.13722263      -0.15972462      -1.38933023 
Hf       6.41216526       7.50907901       1.11642966      -0.17133923       1.03849791       0.38151980 
Hf       1.20302603       7.50760037       1.05660237       0.24132814       0.74638693       0.08053871 
Hf       3.12319469       8.03801206       4.15805633      -1.74211631      -0.67046360       0.76480721 
Hf       3.45475884      10.10219126       1.57904606      -0.69260040       0.18152142      -1.13164927 
Hf       0.75127340       5.45947304       3.67634892       0.18520479      -1.21500180       0.15436019 
Hf       5.53027807       2.45023082       6.29546649      -0.72658410      -1.21929835       0.51277228 
Hf       2.57966116      10.25623029       6.88548586       0.35774086      -0.67539511      -1.28154383 
Hf       5.92893531       0.22519916       3.74268416       0.23205270      -0.71437385      -0.09269632 
Hf       5.00837034       5.46182967       8.92715326      -0.03797554      -0.98659952       0.23458596 
Hf       7.64680680      10.20434500       6.83354493       0.64148529       0.39699459      -0.00109520 
Hf       7.24756470       2.78825508       9.47247458       0.07793750       0.71918004      -0.03291859 
Hf       2.16318036       2.85746255       9.41089495      -1.57368914      -0.24886530      -0.09378850 
Hf       3.47925609       4.98256202       1.51178362      -1.31913734      -0.11981251      -0.22996964 
Hf       3.00353189       2.85340369       4.16923903       0.21086888      -0.89208908      -0.69532978 
Hf       1.20053353       2.33674417       1.07972119       0.71063036       0.74737865      -0.10544972 
Hf       5.03860562       0.23201509       9.02245038       0.18566479       0.00717451      -0.69227125 
Hf       7.74991311       4.96020283       6.84852800       0.62759094       0.02046291      -0.64472223 
Hf       0.31742194       2.35849168       6.27035518       0.25374827       0.64282320      -0.05596939 
Hf       8.10651669       2.80821390       4.14594968       1.01734850       0.21954852      -0.19066106 
Hf       6.34199262       2.31693913       1.12779528       0.31989876       0.86862351       0.65076846 
Hf       5.53828403       7.55941771       6.33074825      -0.99345864       0.04887643      -0.40439878 
Hf       7.24136908       7.97307843       9.36805130       0.02967588       1.11909104       0.55991336 
Hf      -0.08890797       0.27112177       8.93715601      -0.39015377      -0.42711568       0.27011591 
Hf       2.50907394       5.00444949       6.74639448      -0.47686553      -0.17113378       0.12167987 
Hf       8.56079726       4.95371191       1.51665022       0.52511413      -0.50237312       0.22177339 
Hf       2.15017239       7.98137197       9.44984676      -0.80254195       0.53536156      -0.80153764 
O       8.92500555       3.56106291       5.97573134       0.27235465      -0.67486906       0.46523572 
O       3.86990230       1.70008288       9.83988008      -0.82218942      -0.13961746      -1.35939964 
O       6.25701268       3.73172819       7.82991415      -1.06756457       1.07068300      -0.61123685 
O       8.41268018       4.51200165       8.80496530      -1.06944331      -1.45961278      -0.25148402 
O       4.24083675       0.97742225       7.17043782       0.72622158       0.36634155      -0.05004110 
O       6.61086850       3.88226413       5.18282481      -0.83881451       0.40844077      -0.40858350 
O       6.69187035       1.29780701       7.99474079      -0.81131363      -0.12932535       0.06192839 
O       9.31006665       9.44302884       3.39196672       0.86449210       0.48526831       0.04220656 
O       5.71667355       3.94337486      10.43007533      -0.74135667       0.35978568      -0.69101382 
O       6.61680767       6.53070169       7.93813969      -0.37092479      -0.07798028       0.51974409 
O       6.08356709       9.03357286       7.72836047       0.66017695       0.17497440       0.63763515 
O       3.94290537       6.97598455       9.68027990      -0.69035742      -0.53229464      -0.49660956 
O       9.00303548       8.82535394       6.05922391      -0.63415620      -0.42813536      -0.06330703 
O       8.40323795       9.64668216       8.80109038      -0.45015936      -0.88166455      -0.71253211 
O       4.28352740       6.05977464       6.97663461      -0.04435491      -0.40597629       0.81086617 
O       7.03139210       1.24369882       5.29156141       0.20758285      -0.54450120       1.44254970 
O       6.61608671       9.01207430       5.20602680      -0.05305552       1.18623441      -0.32998888 
O       7.48106570       6.43419455       2.70042654       0.36924511       0.79276655       0.37819947 
O       7.00436980       8.98990037       2.59650340      -0.13991138      -0.03943250      -0.73427256 
O       4.73746647       6.84255954       4.34261231      -0.35606893       1.13039641       0.82917806 
O       9.68787041       8.55615386       0.81813156       0.61473591      -0.15908894       0.04289455 
O       7.95061990       1.28645520       0.16143715       0.06627306      -0.55514313      -0.02756530 
O       5.11763995       6.12409358       1.78688351       0.46587296      -0.12511077       0.12239654 
O       7.91915192       6.46200386       0.10477830       0.68905629      -0.27811291      -0.47171679 
O       7.49113470       1.28768063       2.80825852      -0.40897325      -0.00003822      -1.12470408 
O       0.50921785       9.05449902      10.42561668       0.07452361       0.61064128      -0.09977226 
O       4.75732130       1.66563427       4.44086827      -0.78313392       0.93969186       0.35013706 
O       1.94399525       1.24877801       5.25989617      -0.33586484       0.47103245       0.82068364 
O       1.51884248       1.40325230       7.98112594      -0.01703810      -0.97122819      -0.64674437 
O       0.94088315       3.79218526       7.73264933       0.30241370       0.84023288       0.07086148 
O      -1.34019256       1.80835963       9.70590469       1.09863341      -0.93957097      -0.46232856 
O       3.78103708       3.47709041       5.99365321      -0.13106313       0.66218961       0.67247594 
O       3.19963075       4.37857467       8.68249404       1.63304892       0.75461263      -0.58626415 
O      -0.87771718       0.99194498       7.07611884      -0.47643403      -0.99241422       0.59403189 
O       1.41033047       3.90028517       5.10317493       0.24661428       0.78056519      -0.22716372 
O       0.98493030       1.20915275      10.46536738       0.33464283       0.22573552       1.56890021 
O       2.40420608       1.30967366       2.72959044      -0.48631907      -0.27469974      -0.62983493 
O       1.99308859       3.81039997       2.46747809      -0.77072520      -0.10409273       0.55440099 
O      -0.50705191       1.65315480       4.43658068       0.81509619      -0.22078373      -0.13617310 
O       4.67020496       3.58016328       0.68953552       0.72286324      -0.71361179       0.95915455 
O       4.23402425       4.33501034       3.42203798      -0.30401514      -0.60482957      -0.25676614 
O      -0.00069225       0.85738483       1.81201855       0.20445867      -0.51648554      -0.14208783 
O       0.47125556       4.01222564      10.41407118       0.62675672      -1.14612062      -0.37311134 
O       0.05833281       5.98331495       1.79818886      -0.58902911       0.20052550      -0.48656133 
O       4.15658754       9.54205605       3.44284048       0.88467637       0.07464738      -0.23581455 
O       4.64855142       8.61722822       0.77937191       0.17852769       0.42054355       0.86365063 
O       9.76744883       3.36125431       0.89166905      -0.34164654       0.75368840       0.04628281 
O       9.28949543       4.30860653       3.40595277       0.64775611       0.32912720       0.15545093 
O       5.08129380       0.89683387       1.88869561       0.76057087       0.22111763      -0.29564686 
O       6.99968288       6.36476545       5.37259684       0.74261526       0.31540111      -0.05611080 
O       1.86291520       6.49199046       5.31772992       0.79800187      -0.35714912       0.25220196 
O       1.48236524       6.55167678       7.99795229       0.40252050       0.00570082      -0.68336378 
O       1.00416606       9.08230013       7.81995939       0.02229090       0.29328916      -0.20744728 
O       7.00458504       3.85768662       2.48582136      -0.51724507      -0.62468784       0.24487663 
O      -1.34065029       6.94790249       9.63105841      -0.19160725       0.42330457       0.18682185 
O       3.38511538       9.48520939       8.69695093      -0.59532035       0.04973380      -0.03683046 
O      -0.77510463       6.02156308       6.97983761      -0.34385358       0.77557986       0.11115074 
O       1.43551231       9.21579319       5.11749700       0.22607803      -0.92039314       0.67163307 
O       0.92285390       6.42611848      10.48577411       1.14163059       0.56880199       1.51147920 
O       2.30258349       6.49282449       2.65780540       0.71448172       0.23545764       0.42010209 
O       1.86915379       8.95171531       2.56722126      -0.00385966       0.61670222      -0.65156429 
O      -0.36309164       6.95457576       4.43823179      -0.73136140       0.08243384      -0.20400082 
O       3.85788087       8.75309993       6.02792702      -0.57376169      -0.27290240      -0.23367918 
O       5.63251873       9.11885724      10.37356297       0.30618917       0.15556360       0.34102292 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.001264087974888018 -0.00020507425694174755 -0.0021304449931965953 -0.00020507425694174755 -0.00398421206946125 0.0021193321422356883 -0.0021304449931965953 0.0021193321422356883 -0.004714010566593333" pbc="T T T" energy=-972.69688711 free_energy=-972.69688711 config_type=crystal 
Hf       0.80269080       0.17378901       3.61890012      -0.73942796       1.34639522       0.34722822 
Hf      -0.10344286       5.51029489       8.95300938       0.03644050      -1.22289272      -0.07379496 
Hf       0.36636023       7.61641991       6.19175326      -0.31423574      -0.23165181       0.18206858 
Hf       5.91363053       5.36291779       3.77390450       1.13745385       0.69887043      -0.92114502 
Hf       8.50770998      10.16887638       1.53233536       0.28961426       0.46841291      -0.43863561 
Hf       8.11025238       8.05757304       4.14732095       0.47486145      -0.41712451      -0.19339644 
Hf       6.36314669       7.55130258       1.12075485       0.23398902       0.03845966      -0.58019900 
Hf       1.25386570       7.59352541       1.06572696      -0.16349923      -0.22197313      -0.65350588 
Hf       3.05771087       8.00103342       4.09963906      -0.55280242       0.30564917      -0.05296256 
Hf       3.50066098      10.19079357       1.41995800      -0.45576615      -0.07747050       1.07750031 
Hf       0.86116469       5.42595229       3.61856011      -0.81376628      -0.02401369       1.87889273 
Hf       5.54728840       2.31724876       6.38370952      -0.82846772       0.91848834      -0.08860947 
Hf       2.56714672      10.14970286       6.74949079      -1.07528723       1.01634843       0.39494041 
Hf       5.92284491       0.26203743       3.68677023      -0.13701033      -0.51266184      -0.12217388 
Hf       5.06591816       5.41166210       9.04989743      -0.37267270      -0.32927199      -0.25391786 
Hf       7.66305757      10.15387134       6.76150104       0.90948497       0.19165549      -0.40558782 
Hf       7.26924742       2.83832934       9.44439969       0.33650448      -0.06480993       0.60275364 
Hf       2.07705618       2.74834263       9.45682472       0.90575523       0.76364847      -0.20159025 
Hf       3.47061376       4.91306227       1.59111901       0.07785044       1.28568302      -1.28576749 
Hf       3.07365124       2.83742040       4.27310137      -1.38875752      -0.45819731      -0.30155220 
Hf       1.22942653       2.38643545       1.07917306      -0.61592956       0.52201248       0.26755919 
Hf       4.99879320       0.16506782       8.88041925      -0.21399576       0.86153255       1.14990819 
Hf       7.67722638       5.03028122       6.81574308       1.28208150      -0.43384230      -0.17199596 
Hf       0.34693793       2.39280335       6.41596543       0.18884730      -0.33647457      -0.73591523 
Hf       8.19380407       2.76570970       4.26104177       0.36020637       0.95453243      -0.58764835 
Hf       6.37977140       2.37627332       1.08991820       0.20243045       0.39818502       0.51310678 
Hf       5.44061970       7.56324861       6.32120584      -0.41340229       0.40900228       0.11475819 
Hf       7.23866276       8.02238797       9.41559732       0.14343476       0.64464837       0.42841359 
Hf      -0.13945432       0.19341098       8.85673025       0.29287976      -0.08691973       1.05443314 
Hf       2.56084175       4.96806465       6.87385961       0.10474400      -0.03269895      -0.55335750 
Hf       8.57345348       5.01437908       1.66594082       0.76932992      -0.75532119      -0.40050078 
Hf       2.11654187       7.97690611       9.44521506       0.01815081       0.36765382      -1.69619000 
O       8.89016043       3.47843409       6.16616271      -0.39527146      -0.17384957       0.03592719 
O       3.88637687       1.77422751       9.67721530      -0.85797306      -0.35887005      -0.18054906 
O       6.24317444       3.79391556       7.81029486      -1.08713669       0.64679357       0.07027050 
O       8.41849969       4.38862146       8.72274488       0.38850216       0.51125102      -0.05190518 
O       4.25591211       0.91782487       7.10079857       0.15881474      -0.19527404      -0.60831465 
O       6.54190347       3.98582556       5.20760651       0.21084670      -0.55616571       0.53644253 
O       6.60992208       1.33102894       7.92846487       0.32414930      -0.23341424       0.61793241 
O       9.22013849       9.48040107       3.33830527       1.74666705       1.13282358       0.14649661 
O       7.41138614       3.97531744       0.08148370       0.33471937       0.10261388      -1.33133646 
O       6.54332701       6.61543216       8.04153475       0.58702164      -0.76278800      -0.99081742 
O       6.08314590       9.10429067       7.69313395       0.04521546      -0.59516734       0.21749296 
O       3.89948374       6.92088845       9.67870408       0.00589595      -0.14414216       0.50224655 
O       8.94861244       8.77735514       5.94690765      -0.44314205      -0.43856163       0.33842017 
O       8.42357184       9.48989178       8.60927997      -0.32756869      -0.34164545       0.15389414 
O       4.30208791       6.09046030       7.09207836      -0.17183750      -0.25460829      -0.28042074 
O       7.05355844       1.21663698       5.28164655       0.23342359       0.96854644       1.25777307 
O       6.53468249       9.24470190       5.10170023      -0.04516804      -1.45945567       0.47097657 
O       7.60917021       6.63488507       2.69024969      -0.76559493      -0.91499108       0.17478378 
O       6.91081123       9.04884016       2.45995180       0.02711830       0.30198358       0.40558597 
O       4.69435606       6.85776813       4.43265094       0.07115625       0.67997032       0.64530665 
O       9.76215103       8.76719655       0.74510367       0.80032492      -0.87920308       0.04238378 
O       7.83521697       1.26437883       0.15756002       1.32746295      -0.01075262      -0.78989496 
O       5.22174356       6.06518123       1.86754082       0.09354420      -0.05745790      -0.28567942 
O       8.08953760       6.40572067       0.13712147      -0.76457452       0.81208130      -0.13460603 
O       7.56364502       1.29515998       2.80100986      -0.44481693       0.40036524      -0.45884265 
O       0.59202411       9.20899513      10.27715279      -0.26872432      -0.84038963       0.57444553 
O       4.78617889       1.78024276       4.43712891      -0.33334300       0.00339359       0.24971641 
O       1.94369608       1.23719242       5.37653215      -0.00595345       0.41568062      -0.53232480 
O       1.50840978       1.23655840       8.02321071      -0.04903439       1.22759463       0.09305981 
O       1.03877071       3.79460963       7.88955181      -0.33266528       0.23443713      -0.31394397 
O      -1.29280299       1.74868785       9.59398389      -0.37454396       0.41493627       0.69667802 
O       3.69383521       3.35714848       6.20811926       0.43262262       0.50239357      -0.92368204 
O       3.38761801       4.30358396       8.67280441      -0.49821332      -0.17103508       0.54710650 
O      -0.83663008       0.83860780       7.08584406      -0.55362096       0.69836934      -1.12597899 
O       1.37080672       3.98514738       5.18673061       0.92356646      -0.53525089       0.37910882 
O       2.75256973       1.27261241       0.11761663       0.58940857       0.65372914      -0.54210945 
O       2.32813035       1.39543100       2.66538378       0.31716691      -0.43912588       0.94643871 
O       1.90712339       3.89539809       2.53984540       0.04505824      -0.48645764       0.44117297 
O      -0.37487845       1.73981090       4.54094379       0.11320355      -0.68833439      -0.71066831 
O       4.67536467       3.47322917       0.80443460      -0.63493145      -0.05314175      -0.04281733 
O       4.24419926       4.34373061       3.43366517      -0.72670223      -1.05861701       0.85426936 
O      -0.01311653       0.95625265       1.82986587      -0.35640658      -0.73535489      -0.05578131 
O       2.24126951       4.09244724       0.00141117       0.58371880      -1.30018804      -0.68603122 
O       0.16925698       6.02461877       1.78265692      -0.54091260       0.42715216      -0.58092138 
O       4.19096340       9.51146328       3.33863425       0.05576128       0.01301899       0.51321098 
O       4.60973626       8.64715134       0.73406241       0.76906436      -0.03743556       0.78322855 
O       9.77784526       3.48358809       0.86656131      -0.17903004      -0.04057875      -0.30512564 
O       9.32938757       4.40970711       3.62519711       0.02871583      -0.13858257      -1.01704669 
O       5.17975868       0.88484597       1.85618632      -0.06673643       0.41513032      -0.94591098 
O       7.02775462       6.51155185       5.29868995       0.00952880      -0.17287632       1.15627554 
O       1.89904032       6.46445638       5.19615100       0.60374719       0.15702045       1.10737387 
O       1.48262654       6.51082806       7.94628248       0.45776202       0.40748623      -0.07694394 
O       0.97581948       9.13115519       7.68428574      -0.07340517      -1.39240930      -0.20378093 
O       7.05178113       3.84242224       2.62450710      -0.19779352      -0.05832543       0.00920097 
O      -1.23699997       6.99302338       9.62488196      -0.82686506       0.61801649       0.35673403 
O       3.34111070       9.43754827       8.59834550      -0.07651113       0.05782779       0.48977470 
O      -0.75603814       6.08998785       6.95133514      -1.37530910      -0.55003419       0.56778165 
O       1.33069468       9.14054656       5.04552861       1.10574225      -0.08372485      -0.42593588 
O       2.85017428       6.48432273       0.04734871      -0.11455240       0.26662033       0.51891653 
O       2.53644173       6.57005555       2.66613940      -0.76876564      -0.04112669      -0.21982121 
O       1.92170665       9.05057897       2.37597684      -0.47959300       0.53193280       0.66893509 
O      -0.37293634       7.00004265       4.28681871      -0.27400375       0.18002335       0.47819418 
O       3.69149801       8.71892428       6.06629175       1.33960522      -1.68605259      -1.30095281 
O       5.56217718       9.17661253      10.38902277       0.88232297      -0.93891244      -0.26975974 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005617704336183508 0.00017099055525052388 -0.001320454943939724 0.00017099055525052388 -0.0015288780077048546 0.0010299958435144331 -0.001320454943939724 0.0010299958435144331 -0.00318105861977636" pbc="T T T" energy=-972.69545313 free_energy=-972.69545313 config_type=crystal 
Hf       0.71661419       0.23121462       3.68426216       0.99330096      -0.50133338       0.76418728 
Hf      -0.01759670       5.41740565       8.99822794      -0.51217995       0.43276939       0.96225887 
Hf       0.35564561       7.60607699       6.36641243      -0.39611167       0.67251730      -0.81377333 
Hf       5.94957597       5.46829066       3.60171559       0.40581002      -0.27084033       1.66929812 
Hf       8.65236182      10.24822592       1.53041659      -1.13276107      -1.19206492       0.06509618 
Hf       8.18584647       7.97355545       4.18476636       0.29503603       1.50693114      -0.10260183 
Hf       6.35624884       7.61647165       1.07092569       0.08210307       0.53444682       0.57056200 
Hf       1.23411755       7.52975165       1.08948096      -0.20778579       0.49881747      -0.16609583 
Hf       3.00292456       7.99573738       4.17001135      -0.45344248       0.76631992      -0.40254822 
Hf       3.39490072      10.20596870       1.54561766      -0.26033509      -1.43818842      -0.72466829 
Hf       0.80651448       5.37523570       3.77650770      -0.73960889       0.98045925      -0.40518225 
Hf       5.44490015       2.44464448       6.34888969       1.10409598      -1.57319462       0.63476348 
Hf       2.61494440      10.16913499       6.76508689       0.19856327       0.52980794       0.10745830 
Hf       5.85926378       0.23971461       3.60329866       1.02516167      -1.17973841       1.38148942 
Hf       5.06257605       5.44531658       8.92041020      -0.25483123      -0.12199595       1.00482463 
Hf       7.62760523      10.16695376       6.74854637      -0.05102075       0.42938447       0.13875380 
Hf       7.33479313       2.88095719       9.45900432      -1.43285484      -1.30109134      -0.59823283 
Hf       2.11995393       2.81423591       9.42044859       0.33735622      -0.24935620       0.76419072 
Hf       3.46169759       4.90149434       1.65356388       0.09330273       0.76051933      -1.83346522 
Hf       3.02639247       2.79020181       4.18855161      -0.34667944      -0.67944051      -0.18166886 
Hf       1.23007840       2.34940059       1.06781174       0.75685847       0.17069696       0.41780306 
Hf       5.07628985       0.20236524       8.98970084       0.35591032       1.14005262      -0.30497762 
Hf       7.78336224       4.96888475       6.83557301      -0.62824702       0.10376742      -0.67840536 
Hf       0.31048709       2.31196820       6.35237630       0.26959332      -0.10240903       0.43694116 
Hf       8.12839278       2.82220838       4.19448654      -0.57783733      -0.31862850       0.16102662 
Hf       6.40853090       2.32367121       1.01918385      -0.88971679       1.47771671       1.25579689 
Hf       5.52712203       7.55726152       6.29548340      -0.52571750       0.63826066       0.29351602 
Hf       7.18681640       8.01815070       9.39099550       1.13717139      -0.52430565       0.47515005 
Hf      -0.19391554       0.17467790       8.91398952       0.62966076       0.10506230       0.23331306 
Hf       2.52325346       4.95866538       6.82364771       1.01832761       0.52388906      -0.05336735 
Hf       8.61513761       4.93976180       1.52527225      -0.41759699       0.40709266       0.64066871 
Hf       2.17176461       8.05519439       9.37616846      -0.29476479       0.15027784       1.36900288 
O       8.93056147       3.39723434       6.22296436      -0.39584255       0.73718438      -0.66492537 
O       3.91597208       1.78401548       9.60369388      -1.12495966       0.39587965       0.35427236 
O       6.20040898       3.84391407       7.72885894      -0.31487860       0.35071523       0.69516340 
O       8.52046050       4.33667425       8.83147455      -0.04961106       0.39887916      -0.87037150 
O       4.35433576       0.85480108       7.08987555      -0.02440946       0.25126714      -0.33131114 
O       6.64640691       4.01620117       5.16006595      -0.35937428       0.16112343      -0.23618928 
O       6.66823425       1.29947766       8.14825199      -0.01760087       0.23914237      -0.87261306 
O       9.33278377       9.60159504       3.39352805      -1.02979118      -0.90645761       0.25019564 
O       5.63663433       3.90846690      10.36303256       0.76554960       0.28982408       0.03601638 
O       6.66975352       6.47540111       7.96704266       0.06879022       0.44628364       0.18458364 
O       6.06328443       8.99524358       7.76778198       0.41985113       0.26149037       0.00392863 
O       3.91059419       7.01700304       9.72588047      -0.18823453      -0.42703923      -0.99480106 
O       8.92610698       8.78929266       6.02049281       0.71884789      -1.01498918       0.04688503 
O       8.49430138       9.36082644       8.55180733      -0.57463546       0.05897279       0.69585180 
O       4.29119179       6.20189580       7.13421795      -0.88014438      -1.23515911      -0.35028679 
O       7.04476344       1.39046423       5.42521885      -0.04397233      -0.66147293      -0.16537157 
O       6.65746900       9.15818794       5.12054238      -0.90612242       0.38330352      -0.43313420 
O       7.57418129       6.57472942       2.77660513      -0.43895992      -0.33077348      -0.78553910 
O       6.90469355       9.16006681       2.39396969       0.99227703      -0.48783805       0.60705644 
O       4.73402010       6.96752674       4.46407814       0.41595426      -0.89039810      -0.60998871 
O       9.76575701       8.69035003       0.82033595       0.06317639      -0.12075899      -0.65159821 
O       7.88049760       1.28301850       0.15956689       1.41342488      -1.00020088      -0.29111099 
O       5.23984217       6.07650281       1.80222245      -0.84109747      -0.47733468       0.03561936 
O       7.99782005       6.39588511       0.07430603      -0.15073195       0.30555233       0.29592178 
O       7.51266535       1.37519621       2.76465169      -0.19458261       0.12238752      -0.02389921 
O       0.52556882       9.13271820      10.38121002       0.03045081      -0.20744883      -0.40770798 
O       4.67953730       1.57536879       4.54384667      -0.65037274       1.17742617      -0.75062918 
O       1.92202759       1.22121536       5.36126461      -0.12798833       0.19932552      -0.01725136 
O       1.44572309       1.37706408       8.01476026      -0.30922099      -0.24189627      -0.61911373 
O       1.01646134       3.89884403       7.86829810      -0.31711303      -0.47465812      -0.82201961 
O      -1.35581601       1.66262482       9.71030842      -0.06162923       0.06250491       0.19640705 
O       3.68798057       3.34931420       6.06828014       0.10137807       1.36074304       0.73836685 
O       3.28322592       4.41362529       8.75541987       0.19424142      -0.37909527      -0.41029548 
O      -0.98641413       0.88372028       7.05788352       1.45151128       0.38561926       0.21407616 
O       1.51863095       3.91737772       5.17274246      -1.04887967      -0.02718822       0.28073638 
O       2.71567060       1.23198397       0.02396486       0.85869911       0.11003424       0.76623249 
O       2.31136282       1.30354972       2.71512494       0.64327538       0.52182171       0.02766659 
O       1.82074615       3.85024727       2.56466815       0.31793014      -0.04453508       0.32264088 
O      -0.39703268       1.77862634       4.44838449       0.05485892      -0.09434664       0.23542966 
O       4.64495413       3.39440039       0.90264489      -0.90200750       0.31644078      -0.61931193 
O       4.17404847       4.38107988       3.49229173       0.03626393      -0.56331003       0.44433063 
O      -0.00367368       0.96901048       1.85459769      -0.03366647      -0.55889339      -0.04939787 
O       2.28362757       3.88590676       0.02717436       0.42132605       0.75220548      -1.05492040 
O      -0.00638380       6.12468427       1.97387804      -0.21762736      -0.60979959      -1.09485718 
O       4.17006815       9.44628620       3.33853019       0.19484932       0.57274150       0.55944836 
O       4.53100679       8.57868230       0.91297946       0.46666577       0.20826231      -1.06957236 
O       9.75122975       3.33869064       0.94744994      -0.65164183       1.24087290      -0.63233960 
O       9.24402793       4.33371353       3.48310665       0.72677549       0.58584389       0.09983130 
O       5.17722749       0.84081325       1.81158404      -0.54161735       0.56026283      -0.85151831 
O       7.07289456       6.55532139       5.38649867       0.70178927      -0.95178173      -0.35593336 
O       1.95657964       6.41670674       5.34844235      -0.26155726      -0.07008668       0.70876828 
O       1.51441158       6.50409952       7.98736864      -0.09773858       0.87704684      -0.11867751 
O       0.97745820       9.10292756       7.74874148       0.72250687      -0.41754536       0.05216210 
O       6.84339736       3.86708433       2.46431794       1.43444469       0.24886259       0.23842063 
O      -1.30387570       6.88082472       9.71231970       0.15326944      -0.00488177       0.03998965 
O       3.35217269       9.64197702       8.75099597      -1.86690635      -1.52871419      -0.39658797 
O      -0.83061115       6.07688725       6.99071327       0.49926991      -0.12128913       0.84268124 
O       1.41451808       9.11941831       5.12390571       0.28817039       0.05556293       0.16445972 
O       2.91889162       6.42037327       0.10526270      -0.76301080      -0.22194189       0.14005616 
O       2.31250544       6.57891951       2.77407911       0.41894336      -1.18490335      -0.40843278 
O       1.78797576       9.02839839       2.47175677       0.32042595       0.65279646       0.21809902 
O      -0.31277803       7.06632744       4.45158181      -0.02430822      -1.10280765      -0.03824625 
O       3.78536195       8.72798877       5.99539747       0.02276890      -0.06072173       0.47780850 
O       5.61030574       9.12640122      10.36503439       0.94106797      -0.22980276      -0.00120112 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01255436372549021 0.000652719866476284 -0.0012959057840722175 0.000652719866476284 0.0002260881012101709 -0.00047484923330120784 -0.0012959057840722175 -0.00047484923330120784 -0.011624320257962912" pbc="T T T" energy=-973.16497262 free_energy=-973.16497262 config_type=crystal 
Hf       0.79575169       0.21895760       3.76432072      -0.22748387       0.09270615      -0.15495267 
Hf      -0.05819685       5.44254756       8.94941450      -0.69604704      -0.12759362       0.39592416 
Hf       0.34528520       7.58768035       6.35828351      -0.53226586      -0.11934366      -0.49894306 
Hf       5.94342663       5.38972798       3.71038184      -0.18250699       1.11426796       0.78205022 
Hf       8.61444764      10.23407683       1.52443535       0.88888604      -0.89585737       0.17292982 
Hf       8.21965878       7.97195815       4.12945473      -0.58548881       1.38005646       0.25621153 
Hf       6.43179693       7.63409744       1.09141874      -0.05067767       0.24146096       0.58615032 
Hf       1.24569977       7.60552652       1.09543920      -0.06725538      -0.12551283      -0.87105979 
Hf       2.96147126       7.96353432       4.12031429       1.26289018       0.71813056       0.06853238 
Hf       3.48432142      10.24294931       1.45344216      -0.67920683      -1.62478533       0.88819473 
Hf       0.79165642       5.48298826       3.64682579      -0.47679483      -0.97979287       1.06249648 
Hf       5.47354514       2.35807389       6.32712292      -0.47220967       0.08507584       1.02577371 
Hf       2.63569413      10.14119185       6.76437285      -1.13321970      -0.39479858      -0.72261349 
Hf       5.85585739       0.27373763       3.74005209      -0.08456843      -1.59212770       0.57772692 
Hf       5.02390544       5.44225643       9.03156331      -0.18303979       0.25822304      -0.69248598 
Hf       7.71834892      10.15640823       6.75173497      -0.40843534      -0.80990764      -0.28327494 
Hf       7.22670081       2.80088417       9.42213877      -0.03952955      -0.00368341      -0.06097917 
Hf       2.14898986       2.80839750       9.38190661      -0.58917458      -0.65532223      -0.18749885 
Hf       3.54865090       4.94153189       1.50699630      -1.22961432       0.93844189      -0.34303518 
Hf       2.98272593       2.87176552       4.17207829      -0.93750652      -0.61689391      -0.07566084 
Hf       1.14603429       2.39088572       1.04825367       0.67900770       0.08424615       1.14504035 
Hf       5.03552864       0.21512161       8.92991113       0.85696176      -0.50955427       0.20295921 
Hf       7.66728889       4.93068650       6.88623676       1.27589582       1.32306140      -0.51891806 
Hf       0.29580128       2.37499895       6.39735629       0.92356173      -0.36715513      -0.42517461 
Hf       8.09758719       2.78986090       4.26893453       1.47953584       0.08049839      -0.64691014 
Hf       6.38037181       2.36414712       1.12363915       0.27753222      -0.18745986      -0.61656755 
Hf       5.44695517       7.56274219       6.33151888       1.05787525       0.11798933      -0.17195274 
Hf       7.27957529       8.01468699       9.44031276       0.30253278       0.30162365      -0.64057063 
Hf      -0.15233645       0.19997287       8.93897513       0.34046319      -0.27677756      -0.11635411 
Hf       2.57243542       4.93166391       6.76338926      -0.44515703       0.84407391       0.00507100 
Hf       8.56938585       4.90743198       1.60537197       0.32227750       1.55205926       0.12477378 
Hf       2.20566938       8.01700652       9.34392127      -2.01231140      -0.19301597       0.40827674 
O       8.97210913       3.56151645       6.08251053      -0.97288377       0.01692438       0.11396784 
O       3.83690434       1.62633142       9.73517538      -0.47676143       0.37727062       0.26401657 
O       6.18388883       3.77462317       7.82161575      -0.64955215       1.02258355       0.29187427 
O       8.52151955       4.27082887       8.81034706      -0.68812363      -0.02828608      -0.91894927 
O       4.27074779       0.83610094       7.14817385      -0.07299811       1.12345796      -1.20530072 
O       6.59318952       3.87782654       5.25883214      -0.35102230       0.44901196      -0.75806377 
O       6.56702236       1.33980219       7.93462525       0.49314128      -0.09359331       0.58672975 
O       9.50315558       9.36294834       3.30705479      -0.22186110       0.53406017       0.34253267 
O       7.42588727       3.99153118       0.01419028      -0.22687982      -0.16009188      -1.50472886 
O       6.58482955       6.58508823       8.01657591      -0.32522290      -1.15857741       0.41691320 
O       6.20955858       9.08984410       7.70821815      -0.64810317      -0.33001646       0.36568746 
O       3.82362951       6.93236152       9.70248087       0.99055135      -1.44642110      -0.18060636 
O       8.94625721       8.77835968       5.92184601       0.48955497      -0.34780567       0.41875102 
O       8.53543899       9.36721574       8.55885626      -0.09102605       0.41746930       0.33964962 
O       4.26937613       6.08737438       7.04806379      -0.20835212      -0.56891280       1.19641908 
O       6.96823925       1.24114873       5.38284132       0.46449850       0.32900557      -0.27603547 
O       6.56461471       9.13566624       5.09600387       0.12520334      -0.14369350      -0.38901063 
O       7.46622321       6.57445179       2.78134415      -0.09929781      -0.70037563      -0.24295315 
O       7.16558833       9.13572193       2.48038594      -1.17740811      -0.68062299      -0.11214008 
O       4.67404648       6.76359933       4.58097895      -0.10443793      -0.24407573      -1.73003716 
O       9.84699503       8.72849073       0.77824572      -0.43033040       0.52689345      -0.28349292 
O       7.98145904       1.27474138       0.03760911      -0.41774558       0.26407544       1.02761967 
O       5.20076762       6.16631798       1.83082825      -0.57723658      -0.64899666       0.25044310 
O       7.91985138       6.52612902       0.19734663       0.41832629      -0.77126800      -0.59028184 
O       7.42560999       1.32560500       2.79130028       0.63224624       0.71953186      -0.32418619 
O       0.48837536       9.16011357      10.32263345       0.93542950      -0.73786147       0.76871335 
O       4.65165410       1.76117013       4.53576742       0.57987581      -1.06471550      -0.83626139 
O       1.88947807       1.30391328       5.40060926       0.33206092      -0.53194529       0.01989666 
O       1.43662945       1.26890567       7.97873391       0.50597364       0.42637720       0.28352335 
O       0.93844618       3.82060043       7.82067679       0.70528640       0.01315431      -0.57660755 
O      -1.39167124       1.62316030       9.80244780      -0.12843239      -0.05346472      -0.77163406 
O       3.79106046       3.53569937       5.99093251       0.42459463      -0.11414172       0.48423391 
O       3.33096139       4.25762415       8.61734809       0.59091102       0.33111382       0.25585419 
O      -0.89322098       0.87782109       7.06617069      -0.05571601       0.42716691       0.58455077 
O       1.45229814       3.90528331       5.19424724      -0.22912404       0.75906975      -0.55038470 
O       2.79451596       1.22922254       0.03373859       0.04187827       0.68285992       0.94170536 
O       2.31364557       1.37299690       2.79539835       0.53690650       0.05720636      -1.00065204 
O       1.72730577       3.94518184       2.46383009       1.21360522      -0.32821051      -0.17794975 
O      -0.46895548       1.66533919       4.55655606      -0.44852449      -0.09485151      -0.31302513 
O       4.73439276       3.51826902       0.77228506       0.09134169      -0.52031876      -0.28232545 
O       4.25154308       4.22473118       3.33792609      -0.14511623       0.35750147      -0.07118108 
O      -0.03558165       1.02329821       1.97141701       0.02113303      -0.15961526      -0.46831343 
O       0.63482181       3.89382625      10.32208689      -0.42171695       0.13365022       1.05225956 
O      -0.02133116       6.18591231       1.93027205      -0.61025055      -0.36871742      -0.74906270 
O       4.15686476       9.53941473       3.40405037       0.46335972      -0.15810367      -0.37641412 
O       4.76870501       8.72054215       0.65424630      -1.41465156       1.36680557       0.62329463 
O       9.64966541       3.42460654       0.82607777       1.27520285      -0.05387389       0.17713027 
O       9.28714061       4.26924487       3.48059880       0.35551813       0.37391589      -0.37863867 
O       5.17585337       0.86507137       1.86297474      -0.13233702       0.78344068      -0.63082832 
O       7.05190507       6.41867279       5.38027078       0.07450049      -0.33404662       0.19654676 
O       1.89445030       6.50172336       5.32243177       0.24728720      -0.71609054      -0.13069980 
O       1.41504438       6.46358453       7.89635083       1.38755784       0.76195455       0.61561111 
O       0.98760072       9.03413020       7.76289522       0.57345882       0.13494530      -0.24477599 
O       6.98813377       3.86619741       2.49879735      -0.29707919      -0.26315955       0.99400671 
O      -1.35424932       6.85422359       9.70927422       0.20579066       0.07959013       0.59083595 
O       3.45260822       9.29407243       8.50087476       0.11078217       0.83549746       0.14233845 
O      -0.87055267       6.15956917       7.10365169      -1.08449644      -0.75529143       0.23187441 
O       1.52565367       9.10265731       5.13471365      -0.70817607       0.49740612       0.03444761 
O       2.80080284       6.43567319       0.06085299       0.39145597       0.13749803       0.20579514 
O       2.37030373       6.57487904       2.62548943       0.24254318      -0.63733270       0.77072653 
O       1.89184577       9.05893131       2.51888885       0.08127242       0.38317307      -0.68145109 
O      -0.43606987       6.87266439       4.49552078       0.31782075      -0.27526364       0.00474907 
O       3.82999013       8.66705551       5.90015569      -0.50674970       0.95954476       0.90617721 
O       5.71051731       9.18581209      10.32819676       0.01945560      -0.46821574       0.53757623 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01520725704250646 -0.000901368645161546 -0.003245409502607567 -0.000901368645161546 -0.005475179156976998 0.0027030276898171056 -0.003245409502607567 0.0027030276898171056 -0.016384561227021494" pbc="T T T" energy=-972.2010513 free_energy=-972.2010513 config_type=crystal 
Hf       0.82190128       0.22114414       3.68065836      -0.40611871      -0.29608427       0.79049718 
Hf      -0.08068300       5.41050337       8.94233144      -0.25765306       0.99975902       0.61648059 
Hf       0.27725441       7.61172111       6.29256570       0.82852827       1.02764509       0.31728068 
Hf       6.00211724       5.44223741       3.78089632      -1.67818367      -0.14859224       0.14466324 
Hf       8.56880914      10.12634215       1.49358254       0.77669899       0.81784469       0.39696957 
Hf       8.10881961       8.05004444       4.06864774       0.33674901       0.81354713       1.27814826 
Hf       6.33363375       7.50606323       1.03909726      -0.08423333       1.14456471       0.80610784 
Hf       1.12453400       7.53196094       1.15603062       1.97526305       0.49412820      -1.16923156 
Hf       2.99927753       7.92831860       4.14684255      -0.38071668       1.63829770       0.57669469 
Hf       3.44646833      10.12343079       1.53079346      -0.45856205       1.24925852       0.14785024 
Hf       0.75816972       5.44727598       3.72645005       0.41019919      -0.46346429       1.41397199 
Hf       5.59611496       2.45261176       6.28792182      -0.49546131      -0.49309821       1.15027260 
Hf       2.62828243      10.21911398       6.87369318      -0.85680164      -0.95222036      -2.24460354 
Hf       5.89447947       0.23280880       3.71053085      -0.26914795      -0.19486507      -0.20942102 
Hf       5.03134301       5.37147753       8.97266931       0.68969429       1.03829450      -0.32357230 
Hf       7.62980813      10.12960034       6.75737956       0.60950955       0.61971509      -1.19639568 
Hf       7.32769234       2.87717803       9.41443302      -0.51669627       0.24067203      -0.50549509 
Hf       2.04822428       2.81765390       9.42122301       0.70707365      -0.56266126      -0.02178622 
Hf       3.51023951       4.95887734       1.57284316      -0.29496526       0.27632624      -1.15162137 
Hf       3.08363511       2.82234065       4.20478079      -0.86878291       0.39370769      -0.16419108 
Hf       1.25609503       2.43785931       1.13991044      -0.87188749      -0.90761776      -0.27095255 
Hf       5.02106970       0.17586759       8.93093053      -0.13974349       1.43036500      -0.01512637 
Hf       7.78324760       5.06768264       6.74469370      -0.54508291      -0.68240396       0.52475239 
Hf       0.34421083       2.36256582       6.33361396      -1.52033136       0.17757498       0.35993791 
Hf       8.19170498       2.72380356       4.07596244       0.34210416       0.80777327       1.81399300 
Hf       6.40182423       2.40640227       1.07431412      -0.44893260      -0.69537072      -0.13062432 
Hf       5.40895470       7.54762982       6.39610882       0.27017990       1.98473825      -0.80743470 
Hf       7.28943735       7.98397432       9.39826148       0.63082518       0.13757770      -0.84068237 
Hf      -0.12210332       0.23841946       8.94716538      -1.05468879      -0.49013172      -0.34990997 
Hf       2.61448279       4.92656051       6.88151076      -0.90418271       1.08390148      -1.16993083 
Hf       8.57730002       4.97250899       1.58658286       0.30395820      -0.04006805      -0.57640414 
Hf       2.09290215       7.97950494       9.46862496      -1.87737614       0.72910433      -0.65754982 
O       8.91289745       3.56536678       6.03979415       0.51573837      -0.45179238      -0.26700242 
O       3.75125914       1.67555378       9.57667451       0.52681188      -0.41181335       0.70454900 
O       6.16016014       3.99846878       7.75131171      -0.03230947      -0.60672506      -0.54006584 
O       8.46063710       4.45506615       8.65359139      -0.47191318      -1.07006669       0.38106057 
O       4.34256272       0.85833710       6.98720272      -0.09336340       0.44330184      -0.01867304 
O       6.61264314       3.90622935       5.03654778      -0.03054942       0.53057051       0.53701845 
O       6.49132148       1.43776772       8.06115993       0.68957666      -0.14825965      -0.35784775 
O       9.46748535       9.40754120       3.29070086      -1.08019293      -0.28124658       0.16859100 
O       5.66142282       4.02064635      10.38034309       0.26513020      -0.72713089       0.40337089 
O       6.66932978       6.54587287       7.99482248      -0.99635424       0.28124596       0.72580434 
O       6.08653290       9.10513062       7.63855748      -0.62943054      -0.39940057       1.28120533 
O       3.76684612       6.95861021       9.70809542       1.23336890      -1.21441640       0.13739338 
O       8.84882742       8.74569757       5.90600914       0.27035668       0.02586079      -0.05013101 
O       8.45072835       9.39506163       8.46079729       0.30744164      -0.11551883       1.91193107 
O       4.18850380       6.22286020       7.14773524      -0.30664335      -1.26056264       0.62350054 
O       7.07732924       1.26987073       5.30428193      -0.13856009      -0.00515323       0.63278411 
O       6.42240363       9.12908368       5.08353768       1.09372796       0.09669826      -0.28014988 
O       7.42699905       6.52524803       2.77778708       1.13348296       0.04849965       0.06092116 
O       6.98468972       9.06494615       2.50497159       0.53164724      -0.17159009      -0.85260354 
O       4.69503312       6.93208233       4.50697376       1.09065923      -1.49838879      -0.66948456 
O       9.84329112       8.73409598       0.73029438      -0.66266557       0.31183406       0.00100694 
O       7.92456032       1.30432349       0.20586922       0.22165318      -0.39401114      -0.90044863 
O       5.29999024       6.00271041       1.86079230      -0.91345931       0.11372880      -0.58535193 
O       7.92294939       6.49364418       0.15931414       0.21849194      -0.24228015      -0.21545580 
O       7.47988895       1.34530427       2.77001119       0.28294040      -1.20905359      -0.67858246 
O       0.49722485       9.18561603      10.38528477       0.47104906      -0.20383158       0.10471604 
O       4.79923101       1.80702427       4.41757451      -0.45218299      -0.08434245       0.10809644 
O       1.83139517       1.33011210       5.32399373       1.45155033       0.02486409       0.23739640 
O       1.37909130       1.36630264       7.94953356       0.37470917      -0.45463216       0.41465620 
O       0.99019276       3.83554241       7.78534967       0.20334431       0.36144087       0.13509100 
O      -1.27456365       1.84434060       9.67965511      -0.30448614      -0.58554763      -0.01281377 
O       3.87211984       3.54446867       6.05830878       0.02114269      -0.19303473      -0.36889000 
O       3.41013420       4.21615544       8.64719758      -0.60507994       0.21586418       0.01779736 
O      -1.05457220       0.94667020       7.14470141       1.45095915       0.79425835      -0.13918225 
O       1.53299505       4.02250050       5.25106675      -0.42950143      -0.42285335      -0.81544826 
O       2.68521653       1.30681477       0.14296589       1.26951484      -0.07515891      -0.47609732 
O       2.32573578       1.30036541       2.70230152       0.66591084       0.42152686       0.72529787 
O       1.94049082       3.83837542       2.56503368      -0.46461906      -0.27638702      -0.41975850 
O      -0.45397611       1.62707453       4.56886138       0.03786084      -0.28688520      -1.21386439 
O       4.73645506       3.50482003       0.69570020      -1.14969944       0.80513286       0.43961185 
O       4.19529001       4.39081413       3.35237259       1.03333198      -0.73110607       1.75545210 
O       0.03844942       0.88401983       1.85406920      -0.45288773       0.57039314      -0.66503674 
O       0.49957649       3.97422230      10.31404964       0.32355863      -0.43163588       1.46068689 
O      -0.03706989       6.17388315       1.92043562      -1.33489022      -1.07002491      -0.17447004 
O       4.21019627       9.50483250       3.35694601      -0.20279173       0.02031603       0.38539679 
O       4.63919462       8.72430884       0.85943120       1.07995034      -1.16761208      -1.13935790 
O       9.75584042       3.50390475       0.80150021       0.34633539       0.30279601       0.37529098 
O       9.38164179       4.31409977       3.41377917       0.06506174      -0.45045809       0.07757475 
O       5.15972033       1.01120692       1.83137523      -0.47783203      -0.76535337      -0.16735281 
O       7.04452713       6.57946843       5.50020646       0.02072433      -0.94957247      -1.72778863 
O       1.89959096       6.56915357       5.38155489      -0.25076425      -0.75060696       0.08070547 
O       1.43657789       6.48395959       8.00702542       0.54176332       0.46800421       0.10679087 
O       0.91169960       9.07055764       7.82208754       0.37955413      -0.21584095      -0.60239008 
O       7.15677688       3.75540611       2.55061858      -1.07779863       1.16479867      -1.01511678 
O      -1.25614538       6.93777039       9.77058955      -0.12929690      -0.63168888      -0.49313423 
O       3.29959351       9.45034060       8.61645187       0.47260305       0.05354172       0.76403111 
O      -0.90663581       6.21195818       7.11438906       0.43816458       0.00871925      -0.15250984 
O       1.47861646       9.19490360       5.14617682      -0.63579229      -0.07534334      -0.40232046 
O       2.88618575       6.45496236       0.20708792      -0.36221898       0.45645503      -0.37191104 
O       2.26866277       6.41994509       2.74922223       1.09029923       0.36961005       0.01534882 
O       1.94362179       8.88946684       2.45742946      -0.09727280       1.34201101       0.81876536 
O      -0.45437107       6.92181412       4.43602961      -0.20349825      -0.20478049       0.13051440 
O       3.73175683       8.75257678       5.96209245       0.43394261      -0.34693613       0.65556471 
O       5.74580916       9.11580686      10.27403265      -0.50106563       0.17563419       0.79270415 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0016285864779983688 0.0021068076241897438 -0.0006061883299202364 0.0021068076241897438 -0.004090024517227059 -0.0006571998032740237 -0.0006061883299202364 -0.0006571998032740237 -0.0014622157692141505" pbc="T T T" energy=-973.85221778 free_energy=-973.85221778 config_type=crystal 
Hf       0.80074905       0.15342248       3.71324220      -0.21033713       0.75620186      -0.55788486 
Hf      -0.08664275       5.38447038       8.94634276       0.46215031       0.80803583       0.37031070 
Hf       0.24167221       7.54391684       6.26139440       1.29717308      -0.21040552       0.25740368 
Hf       5.96821056       5.43613270       3.68562755       0.18023730      -1.06819452       0.74132581 
Hf       8.58617736      10.16075314       1.51818509      -0.10494560      -0.15218533       0.03422252 
Hf       8.06532419       8.05255162       4.10680067       0.58943256      -0.62317119       0.13976678 
Hf       6.28904470       7.54137600       0.99080266       1.28881838       0.77609894       0.97341345 
Hf       1.25164045       7.54846301       1.03867461      -0.53198286       0.49417484       0.99556332 
Hf       3.07363114       8.02471228       4.19644752      -0.90295670      -0.88597210      -0.24317394 
Hf       3.40726060      10.14541644       1.56633101       0.07683661       0.93841645      -0.47073090 
Hf       0.84241430       5.42444268       3.69340103      -0.23503146      -0.31211478       0.48633207 
Hf       5.54985299       2.35164157       6.38613348      -1.35117496       0.45964259      -0.77967846 
Hf       2.47967841      10.13052642       6.81519358       0.79940342       0.52314290       0.19423919 
Hf       5.86258591       0.27121445       3.69660130       0.34381894       0.12024756       0.15484616 
Hf       5.13955155       5.40520952       8.97394975      -1.00625582       0.32039280      -0.53194981 
Hf       7.75075450      10.14090706       6.78751477      -1.49160694       0.45410827      -0.23006068 
Hf       7.29205192       2.83574122       9.43971412      -0.09832264      -0.14783768      -0.69748046 
Hf       2.03224916       2.84783719       9.48029416       1.94974066      -0.76945253      -0.38580463 
Hf       3.51939384       5.04207576       1.56526415      -0.38482562      -1.82807446       0.15763564 
Hf       3.02709624       2.85749642       4.21616667       0.25618374      -0.03557760      -0.29890591 
Hf       1.19644298       2.40466803       1.07604683       1.05783690      -0.84888414       1.07412319 
Hf       4.97356385       0.27243625       8.94401216       0.16186086      -0.31681740      -0.55661337 
Hf       7.72961639       4.95302999       6.79034962       0.20387688       0.52798347      -0.65759513 
Hf       0.37310929       2.35283947       6.32006611      -0.12377893       0.29726950       0.03860399 
Hf       8.18569359       2.76275615       4.16436876      -0.38724673       0.88212032       0.07930293 
Hf       6.46212571       2.40330825       1.06352866      -1.31486032      -0.59510562       0.02352790 
Hf       5.47981977       7.59941577       6.30275736       0.07526453      -0.52178856       0.91042123 
Hf       7.28221414       8.06415197       9.41469333      -0.88066146      -0.56663925       0.24651624 
Hf      -0.14273819       0.23096047       8.98022920       0.26914869       0.18126374      -0.16394912 
Hf       2.61220638       4.96839818       6.89745758      -0.01666534      -0.03766855      -1.18309238 
Hf       8.63946302       4.98450459       1.57977974      -0.24470878       0.01710742      -0.08173126 
Hf       2.05760745       7.97498765       9.38256122       0.44377555       0.15343075       0.31954185 
O       8.95129198       3.46663975       6.07515225      -0.28115485       0.17688886       0.31294005 
O       3.85770698       1.72177750       9.69703894      -0.38463902       0.20286713       0.23215546 
O       6.18702895       3.89141705       7.73606360       0.04636343       0.06410065       0.41947312 
O       8.52196516       4.37913086       8.72009852      -1.11105311      -0.93012535      -0.21367044 
O       4.14773248       0.94180442       7.07478978       0.94351034      -0.22694573       0.21839755 
O       6.63025928       3.91073344       5.11044008      -0.04385455       0.00815910       0.18877229 
O       6.60067471       1.39720452       7.93296144      -0.08187678      -0.45206088       0.73173739 
O       9.29799081       9.50352426       3.36555061       0.65426726       0.13589175       1.09758390 
O       5.76661084       3.96426112      10.36180683      -0.26147943      -0.49177573       0.24129963 
O       6.62010230       6.55763728       7.99018290       0.19454279      -0.13538478       0.06640532 
O       6.10170262       9.02429454       7.79508014       0.17064927       0.27515573      -0.74470297 
O       3.83379153       6.86608244       9.68858240      -0.14208105       0.15651351      -0.39202174 
O       8.76792073       8.56788606       6.08186789       0.49660889       0.29301790      -0.09413602 
O       8.29736336       9.68101523       8.78269965       0.90413118      -0.24556615      -0.25637695 
O       4.26836869       6.09650766       7.03007944       0.65879289       0.28025716       0.55493987 
O       7.09236988       1.22820886       5.37570082      -0.14209173      -0.06149975       0.05220540 
O       6.52539644       9.13625766       5.06094095      -0.14510750      -0.05115997       0.61811462 
O       7.54101266       6.57349505       2.75551502      -0.22329013      -0.95733806      -0.53885048 
O       7.00382688       8.98944705       2.53748823      -0.52478624       0.87704111      -0.96963013 
O       4.72880205       6.85130869       4.41208554      -0.30808721       0.94540854       0.16459015 
O       9.69433406       8.59153468       0.88426330       0.26362595      -0.15000854      -0.78909056 
O       8.06053542       1.31077555       0.11368731      -0.36073665       0.03627215      -0.05952821 
O       5.22910941       6.04427762       1.79797906       0.40681007       0.23842784       0.04238666 
O       8.00314506       6.39419887       0.11878587      -0.51555785       0.95019031      -0.23391670 
O       7.43891576       1.39904880       2.76823942       0.33562949      -1.15791652      -0.59589084 
O       0.40012229       9.20061432      10.41331818       0.78249699      -0.67772819      -0.08479644 
O       4.75435886       1.78562431       4.52524541       0.08667532      -0.70309731      -0.66880875 
O       1.91684214       1.25818632       5.38842679      -0.00148135      -0.48519422      -0.60123850 
O       1.43583034       1.35127505       7.97589360      -0.23625417      -0.52550265       0.25067746 
O       1.00256508       3.79886809       7.82542683      -0.29136732       0.63020244      -0.08287228 
O      -1.31704492       1.73112170       9.70175759      -0.04997580       0.31293092      -0.43455842 
O       3.77450250       3.51574875       6.10773504       0.23659943      -0.37628425      -0.47587838 
O       3.38003427       4.26951242       8.70484611      -0.11769310       0.23810085       0.16570559 
O      -0.83827447       0.78335096       6.95626253       0.52564152       0.09975362       0.74950518 
O       1.40355820       3.92257152       5.14067693       0.21468963      -0.06794183       0.24194002 
O       2.74394313       1.29581186       0.04984145       0.62688077      -0.37955414       0.53137997 
O       2.38356697       1.31905890       2.69688847      -0.23566156      -0.04854535       0.75367704 
O       1.95455193       3.81325585       2.54692615      -0.34651249       0.64607697      -0.14336074 
O      -0.42148262       1.68690726       4.42694870       0.65305218      -0.50452594      -0.07512126 
O       4.75001183       3.47281668       0.83937162      -1.04172208       0.54140313      -0.40013397 
O       4.25412757       4.34260856       3.42211254      -0.23874654      -0.26235828       0.37658301 
O       0.08759164       0.80106476       1.77030435      -0.34524650       0.31962073       0.19891613 
O       0.56504347       3.95094471      10.42719555      -0.26001728       0.23110295       0.10799938 
O       0.11247703       6.02412595       1.80668909      -0.02835929       0.15558148       0.01881958 
O       4.15022397       9.55381828       3.46836478       0.07396123       0.09349874      -0.37633596 
O       4.51427218       8.53066355       0.85241303       0.05237470       0.60793696      -0.18408204 
O       9.84327684       3.50594260       0.81359426      -0.45350854       0.14307380      -0.09058527 
O       9.35198519       4.28148069       3.44427381       0.40423924       0.37702835      -0.15381359 
O       5.14499713       0.86833641       1.81131050       0.22175730      -0.08187669      -0.11934309 
O       6.98524193       6.41413431       5.37302810       0.60632408       0.21396307      -0.04618717 
O       1.88736068       6.45447017       5.30476023       0.19455740      -0.18495018       0.30051398 
O       1.54181250       6.49685738       7.97314927      -0.54693939       0.03596140       0.41425050 
O       0.94645467       8.97139765       7.85458570      -0.56524069       0.49610620      -0.80414320 
O       7.04188026       3.80676804       2.43987573       0.43614916       1.30629782       0.65745323 
O      -1.26814978       6.94933573       9.66378337      -0.03113405       0.28639195       0.03683531 
O       3.27457250       9.47135580       8.67525535      -0.00426748       0.02901580       0.25495972 
O      -0.85682681       6.15681377       7.13710424      -0.54149331      -1.09944049      -0.12659373 
O       1.44313710       9.06302177       5.17346144      -0.56899823       0.86149841      -0.24174877 
O       2.82316765       6.43449514       0.17070654      -0.12068208       0.45701689      -1.38212672 
O       2.45849111       6.58200647       2.68661607      -0.48221369      -0.23790317       0.42086165 
O       1.81226059       9.06406630       2.49756301       0.28633551      -0.35818955       0.41038919 
O      -0.45875220       6.84388244       4.45242816      -0.32830124       0.44093320      -0.31020208 
O       3.77414536       8.71549226       6.05149422       0.07080749      -0.19225254      -0.11252210 
O       5.58069341       9.23385142      10.35413762       0.51043702      -0.92419528       0.63722180 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0012316963525623305 0.003175520709732728 -0.00014226678697020718 0.003175520709732728 -0.0028821362451876818 -0.0003007348963558163 -0.00014226678697020718 -0.0003007348963558163 -0.006553726420472307" pbc="T T T" energy=-972.97428463 free_energy=-972.97428463 config_type=crystal 
Hf       0.83907563       0.26684575       3.74313852      -0.51715656      -1.29253711      -0.13242546 
Hf      -0.08696040       5.45604102       8.91323872      -0.03904466      -0.88971240      -0.18182034 
Hf       0.32331448       7.58278341       6.25213551       0.53071971       0.89712982       0.17468894 
Hf       6.05566432       5.40425039       3.70073884      -1.23757931       0.71929599      -0.40228936 
Hf       8.68501202      10.24040515       1.52564775      -0.42755850       0.27531378      -0.01574170 
Hf       8.14259879       8.12002048       4.09879050       0.63695931      -0.67448094       0.58408938 
Hf       6.35466805       7.61663821       1.15358882      -0.04432950      -1.14056467      -0.59980608 
Hf       1.20707784       7.56884857       1.06536899       0.08007111      -0.31196687       1.29586073 
Hf       3.06774386       7.91624445       4.16401552       0.42493855       0.50023333       0.69447642 
Hf       3.37851122      10.18309197       1.64051533       0.06713413      -0.76137272      -1.16806345 
Hf       0.83389184       5.44699700       3.74987864      -0.53476094      -0.08259567      -0.66322376 
Hf       5.45192831       2.26763541       6.33049266       0.54178898       1.00376499       0.63128104 
Hf       2.50945000      10.13901187       6.85560120       0.55293842      -0.50190449      -0.81615317 
Hf       5.89911991       0.18507745       3.59865173       0.59467549       0.72184265       1.89502559 
Hf       5.00987329       5.49472732       8.90144132       0.58664178      -1.43090654       0.48170009 
Hf       7.70907256      10.23383183       6.87515087      -0.32347891      -0.63344177      -1.32061146 
Hf       7.28635585       2.87494433       9.33859916      -0.48155586      -0.12902858      -0.06043601 
Hf       2.11100702       2.82492389       9.40647578      -0.71694617      -0.15148891      -0.74196670 
Hf       3.41249838       4.85058740       1.60431163       1.47310535       1.63811660       0.01425203 
Hf       3.00467544       2.79671559       4.24766139       0.59139799       0.47400126      -0.21902651 
Hf       1.27269753       2.43009111       1.07368535      -1.07448432      -1.00118726      -0.19107300 
Hf       4.95801145       0.13357338       9.00212334       0.36606619       0.26362245      -0.62899962 
Hf       7.74479465       4.99795462       6.70608505      -1.02929798      -0.20163532       0.16987815 
Hf       0.27702176       2.36969959       6.32603327       0.77701745       0.28964021       0.80116053 
Hf       8.16819855       2.88183839       4.11649733      -0.52967386      -1.04677641       0.21176670 
Hf       6.29873214       2.32637975       1.01345000       1.23983088       0.41869431       0.57818273 
Hf       5.56133149       7.61764399       6.37445788      -0.59330287      -0.45847315      -2.25130403 
Hf       7.19617037       7.94686268       9.47032406       0.54676440       0.40630333      -0.75433299 
Hf      -0.12859028       0.15689013       9.01655787       0.13488025       1.33873209       0.00316538 
Hf       2.66935524       5.00801502       6.79574093      -1.45712791       0.12753225      -0.58051586 
Hf       8.62267017       4.92364655       1.48189213      -0.80022800       0.30530479       0.02995695 
Hf       2.05313862       7.96594664       9.50103512       0.96827604       0.32386084       0.09165707 
O       8.90567869       3.49391791       6.04982851       0.43603144      -0.36212307      -0.51835085 
O       3.72577148       1.60357906       9.64818959       0.29825277       0.69806149       0.57702881 
O       6.09639699       3.82157380       7.71634098       0.58689215       0.10691601      -0.00356673 
O       8.45638608       4.40143644       8.61777022       0.18354859      -0.08672065       0.38392068 
O       4.30314738       0.76977272       7.06051875      -0.07576544       0.05525584       0.41210356 
O       6.61086538       3.94495544       5.12336829       0.05623826       0.14083054      -0.32432608 
O       6.67279527       1.30341382       8.02151822      -0.80728117      -0.26397305       0.17044969 
O       9.33440177       9.59488083       3.36019668       0.61930310      -0.03746092       0.82221472 
O       5.61805129       3.97910023      10.31078963       0.16223613      -0.79651276       0.05221138 
O       6.64392666       6.50070594       7.86915253       0.11614098       0.50792197       1.20362800 
O       6.00662653       8.99721545       7.77201487       1.18754958       0.95320207       0.75538322 
O       3.86488402       6.87372492       9.77283993      -0.81497624       0.73583871      -0.36901121 
O       8.93439112       8.70545004       5.98877254      -0.24886142       0.48888423       0.49385192 
O       8.45742571       9.46488691       8.69084347      -0.52588701      -0.04733279       0.07347382 
O       4.29410436       6.17364023       7.00608351      -0.02178111      -0.61862687       1.01541408 
O       7.01366030       1.32707522       5.38220562       0.75844739      -0.62495854      -0.16545179 
O       6.62540478       9.20656203       5.07813293      -0.30245176      -0.40585372       0.68398057 
O       7.53245405       6.64736901       2.69019519       0.20783804      -0.93933288       0.19893556 
O       7.05388347       9.08399385       2.51045646      -0.33427003       0.77168221      -0.45842457 
O       4.86234314       6.87423613       4.48239483      -0.74054679       0.22312212      -0.53821153 
O       9.84133666       8.76402803       0.83148715      -0.17315525      -1.11380744      -0.95720197 
O       7.83934195       1.17355019       0.08981518       0.20903589       0.73612102      -0.12567507 
O       5.19063327       6.12063445       1.85877125      -0.44912703      -0.70051749       0.07514887 
O       8.02083177       6.38316427       0.06892805      -0.00339532       1.07152153      -0.26576972 
O       7.54106517       1.41693860       2.73073931      -0.58619444      -0.78451930      -0.38838197 
O       0.50650630       9.13563040      10.44919753       0.34546662      -0.44451052       0.06588425 
O       4.68986543       1.65861604       4.49014301      -0.27958057      -0.01335127      -0.39511044 
O       1.93378116       1.27652810       5.43551835      -0.27046252       0.24163730      -0.34451728 
O       1.55464665       1.31072932       8.01738341      -1.13642097      -0.09359455       0.07803951 
O       0.95951034       3.80820616       7.79338703       0.01001833       0.62365992      -0.09353735 
O      -1.23026749       1.83430160       9.67532037      -0.26730248      -0.68177171      -0.44476955 
O       3.82508722       3.55566806       6.11441446       0.07665872      -1.07567113      -0.98237720 
O       3.28017301       4.36760179       8.63255441       0.25044463      -0.23875141       0.81572407 
O      -0.95342435       0.97237724       7.14832370       0.86806607      -0.16155814      -0.14272573 
O       1.47739833       4.00789101       5.18877045      -0.23917205      -0.50114388      -0.21781291 
O       2.81103392       1.28213169       0.23306395       0.06019191      -0.22223589      -0.87322377 
O       2.36588186       1.28874033       2.78432317       0.49952342       0.72448839       0.54382292 
O       1.85894584       3.76395504       2.56399926       0.24035912       0.77440638       0.24437753 
O      -0.38468504       1.71274657       4.41143408      -0.29207219       0.60522285       0.55674450 
O       4.64058271       3.45291895       0.76277636      -0.14864008       0.20123118       0.01406542 
O       4.25474820       4.26250842       3.41448785      -0.38476083      -0.29353523       0.30464401 
O       0.12494661       0.89713156       1.77541582      -0.45351928       0.03013566       0.12652537 
O       0.48170872       3.90529516      10.40713659       0.31928985       0.89024946      -0.24199920 
O       0.01532790       6.02633930       1.76699330       0.93073859       0.51092420       0.10144802 
O       4.19209369       9.44106944       3.44468123       0.50018708       0.59079754      -0.24240592 
O       4.71767260       8.73445164       0.86644433      -1.01317806       0.10257073      -0.37569206 
O       9.69823556       3.41420751       0.75367246       0.65972024      -0.01872263       0.20118741 
O       9.38015083       4.29970641       3.37598777       0.03337899       0.23365451       0.35627907 
O       5.11355925       0.86282748       1.83920908       0.53051206       0.66464030      -0.29984592 
O       7.18160737       6.46163199       5.30091240      -0.00719834       0.25028807       0.08150057 
O       2.00134114       6.47936656       5.31211830      -0.61888338      -0.29246854       0.34668645 
O       1.51413870       6.63875297       7.92982932      -0.56982744      -0.61674674       0.82134261 
O       0.87677028       9.12254652       7.84417836       0.10852786      -0.72412328      -0.75076397 
O       6.98460493       3.83598856       2.45136831       0.47150046       0.50771280       0.12204559 
O      -1.29079544       6.92152714       9.68129037       0.39372127      -0.04721819      -0.10632440 
O       3.18374498       9.45820002       8.73589980       0.89778984       0.05988085      -0.02144622 
O      -0.78434015       6.05800320       6.90579284       0.03253528      -0.39882370       1.17855911 
O       1.48870348       9.15296868       5.15959794      -0.33143819       0.06465104      -0.01691541 
O       2.87052796       6.40158575       0.27326618      -0.57433814       0.62779771      -1.97123656 
O       2.38682763       6.52201571       2.72429468      -0.52477943      -0.46961810       0.20741841 
O       1.80492029       9.07441431       2.52027661       0.29882262      -0.62599219       0.14725206 
O      -0.33561118       6.96861180       4.35518329      -0.21653012       0.12031496       0.03038508 
O       3.76502899       8.58873907       6.03791150      -0.14438486       0.73253905       0.59552627 
O       5.69295091       9.09247212      10.33192468      -0.06548455      -0.42235444       0.81643196 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0022056794513924793 -0.004140781162246254 -0.001032981993691566 -0.004140781162246254 -0.0076213329488623634 0.0021880814914460147 -0.001032981993691566 0.0021880814914460147 0.010307219114053872" pbc="T T T" energy=-972.69234136 free_energy=-972.69234136 config_type=crystal 
Hf       0.78294990       0.31134177       3.74636126       0.39188121      -1.71379121       0.64604950 
Hf      -0.20748561       5.40572851       8.96707186       1.16844843       0.75518657       0.51823126 
Hf       0.34135934       7.54966663       6.43698949       1.22392337      -0.71528817      -0.27451526 
Hf       5.89740331       5.42118512       3.65502738      -0.11154447      -0.40394980       0.29138525 
Hf       8.66731089      10.17683337       1.61057617      -0.85056655       0.94191080      -0.81147369 
Hf       8.20442613       7.95944979       4.22351236      -0.73854858       0.64290019      -0.18451474 
Hf       6.48154934       7.59790908       1.11058073      -1.36589312      -0.12297462      -0.15835049 
Hf       1.20323135       7.61608357       1.08943990       0.22666867      -0.79167567       0.27004829 
Hf       2.92879154       7.97477548       4.18550392       0.67716387      -0.57372662      -0.20894892 
Hf       3.43252612      10.17423725       1.57928621       0.98074691      -0.14448842      -0.14299755 
Hf       0.66289845       5.34025085       3.64641837       1.43717378       0.67385387       0.95762913 
Hf       5.42278480       2.39682554       6.29258692       0.76396829       0.07043266      -0.01961237 
Hf       2.57835795      10.12223175       6.73109681       0.38890482       0.32498337       1.39439032 
Hf       5.94870374       0.15481260       3.66641064      -0.24235797       0.54570187       0.56151582 
Hf       4.98543219       5.40283149       8.92658507       2.09375830       0.94604416       0.53489456 
Hf       7.80412403      10.15874750       6.83244741      -0.65322872       0.02208162      -0.13017123 
Hf       7.25459586       2.85513554       9.36309755      -0.86204124      -0.83139046       0.95686479 
Hf       2.18077813       2.79134131       9.40698600       0.26518026       0.85561958      -0.01237500 
Hf       3.46986699       4.99954496       1.47367343      -0.05620983      -0.62905160       0.38493026 
Hf       2.96193655       2.82744592       4.09142025       1.48060927       0.22643574       1.30752665 
Hf       1.11510017       2.39360340       1.12867586       1.40045639       1.00649464      -1.54870756 
Hf       5.09484279       0.15190113       8.95074839      -0.81386715       1.26603657       0.03870665 
Hf       7.66306976       5.02891053       6.76737560       0.30052666      -0.90509629       0.20971819 
Hf       0.32266578       2.41058270       6.33575608       0.89574148       0.19431936       0.19642149 
Hf       8.14688228       2.74912388       4.15731730      -1.18856128       0.86789024       0.09976054 
Hf       6.40997438       2.33881891       1.07132251      -0.03060737       0.58520583      -0.15200274 
Hf       5.45875480       7.53262093       6.33092907       0.57580853      -0.25628743      -0.48147307 
Hf       7.23721030       8.12273973       9.41165099       0.84138396      -1.42866046       0.16994538 
Hf       0.05509359       0.30600656       9.00300896      -1.73324035      -0.15461746      -0.10391196 
Hf       2.55967101       4.96398729       6.79609512       0.25270100      -0.02464173      -0.71160427 
Hf       8.56286734       4.99715737       1.50824461      -0.98492766      -0.06621397      -0.20377282 
Hf       2.14178442       8.01608376       9.49209051       0.20777251      -0.11724794      -0.47875451 
O       8.92860331       3.40675289       6.09451511      -1.02470079       0.38906470       0.04348563 
O       3.93363118       1.71402832       9.63317690      -0.00809642      -0.12738143       0.33106419 
O       6.17235935       3.84444408       7.80599949      -0.07671284      -0.26530891      -0.73174890 
O       8.44216144       4.32369407       8.76241620       0.14800408       0.77052355      -0.70480045 
O       4.30070073       0.91567190       6.99794744      -0.27715717      -1.44272861       0.66982163 
O       6.57721113       3.94236628       5.16493643       0.39002211       0.30041691      -0.35161666 
O       6.70874850       1.31051715       8.02179638      -0.45284326      -0.49794526      -0.76432185 
O       9.24889995       9.66083873       3.56034486       1.21244331      -0.09704631       0.38680895 
O       5.67646556       4.02961930      10.42201834       0.04089263      -0.52573005      -0.44842365 
O       6.68085280       6.46153682       7.97463448      -0.23897582       0.97644973       0.05257098 
O       6.12868341       8.96861689       7.80350466       0.30451206       0.74885986       0.10773483 
O       3.85610738       6.97836091       9.58597026       0.50944440      -0.45549713       0.44715978 
O       8.87967746       8.47949021       6.26052611      -0.77337604       0.88491573      -0.77163050 
O       8.56369382       9.60152054       8.73799772      -1.08125108      -0.37040176       0.19012141 
O       4.43859836       5.84577394       6.91514056      -0.16269506       1.10606054       0.20391605 
O       7.08275803       1.14110348       5.27299018       0.44204927       0.52659046       0.48957725 
O       6.55728595       9.05427677       5.15216615       0.34699614       0.25901838       0.06646164 
O       7.47454992       6.56909404       2.72165841       0.17175440      -0.25882661       0.23911142 
O       7.17756678       9.04699744       2.52097574      -1.16704692      -0.06624300       0.44718472 
O       4.73681510       6.96231092       4.34528271       0.21965256      -0.36910868       0.60549383 
O       9.80854257       8.70927658       0.84653911      -0.20326708      -0.02444103      -0.13842916 
O       8.06962816       1.32227002       0.13897976      -0.34557582      -0.78956058      -0.31804779 
O       5.16108269       6.03273639       1.69200810       0.76169816       0.19402531       0.47251039 
O       7.97699153       6.52559704       0.11649097       0.14766129       0.12193285      -0.16335063 
O       7.57842378       1.40576259       2.61728102      -0.43594673      -0.87058201       1.07204491 
O       0.56839088       9.23838834      10.42965237       0.10037047      -0.06398426       0.38070031 
O       4.84464270       1.84061141       4.37823228      -0.44448165      -0.87878746      -0.46705135 
O       2.00272689       1.23758984       5.34133870      -0.74802107      -0.16501167      -0.14348170 
O       1.53583926       1.32827998       7.98646885       0.18098347      -0.03224002      -0.30963509 
O       1.05174450       3.85307208       7.71974159      -0.22351543      -0.39637314       0.71209100 
O      -1.26819325       1.87445178       9.64440244       0.96079238      -1.05992306       0.38561480 
O       3.74081818       3.44381310       6.04691292      -0.54124840       0.02858380      -0.32804341 
O       3.48616473       4.26742511       8.64225538      -2.54111995      -1.04152512       0.06657839 
O      -0.77061477       0.80091430       7.05360201       0.42390848       0.38296199      -0.52898147 
O       1.39927127       3.92938984       5.14207950       0.12173211      -0.28146211      -0.49121590 
O       2.87206898       1.44387492       0.08305963      -0.60139417      -1.64275742       0.73113474 
O       2.35590085       1.33454512       2.75374400       0.34308161      -0.12667031      -0.29791788 
O       1.87791263       3.82461805       2.54734565      -0.37724598       0.35235252      -0.80971273 
O      -0.33746420       1.83973489       4.35842199       0.20518180      -0.15895367       0.32475207 
O       4.68247135       3.42926939       0.82879732      -0.42798097       0.50116289      -0.36114592 
O       4.20731554       4.31947924       3.42944226      -0.29007568       0.35400922      -0.49738558 
O       0.13094634       0.86236750       1.85164535      -0.76183080      -0.55551682      -0.13541311 
O       0.60476086       3.99552854      10.30931692       0.00508674       0.22692919       0.61967294 
O       0.03372800       5.96704863       1.70252591       0.80014064       0.94054990       0.49808845 
O       4.25259006       9.41146385       3.44495708      -0.26465708       0.91917388       0.24382803 
O       4.71210073       8.62723636       0.93433124      -0.89228219       0.46165116      -0.71282516 
O       9.74268065       3.50379108       0.88196871       0.54634118      -0.79505382      -0.24937728 
O       9.23425793       4.36217369       3.49212162       0.13202468       0.00615737      -0.23563924 
O       5.13158297       0.88676589       1.82771703       0.71024799      -0.15515634       0.09647848 
O       7.12166076       6.48861787       5.33972403      -0.41642959      -0.68268359       0.03291644 
O       1.92742526       6.38935086       5.42249268      -0.17617113       0.69487396      -0.49822350 
O       1.49669343       6.55773433       8.00530196       0.00161708      -0.63384799       0.56660831 
O       1.07433426       8.98038993       7.83375716      -0.47779688       1.07877453      -0.23277322 
O       7.03518408       3.83839142       2.48300594      -0.44414746       0.20988721       0.43794686 
O      -1.35549666       7.03051999       9.64429387       0.67804974      -0.55334577       0.07583580 
O       3.35551232       9.47882964       8.72560104       0.15698498       0.85135099      -0.36166332 
O      -0.75909446       5.92814695       7.05980219      -0.67139520       0.15155183      -0.58143024 
O       1.37567968       9.07240347       5.18254865       0.22271520       0.71816996      -0.17461784 
O       2.72643879       6.53072080       0.14636430       0.36908405      -0.19278840      -0.09711042 
O       2.28436625       6.57822762       2.77792758      -0.05231250      -0.61971498      -0.48492839 
O       1.92162353       9.05547602       2.54011001      -0.71197747       0.23183572       0.15274511 
O      -0.37675191       6.92263163       4.39852383       0.13946373       0.19363966       0.24626457 
O       3.73333090       8.56061784       6.18910165      -0.30679667       0.19539957      -0.77313626 
O       7.40085393       9.16732485       0.00930856       0.90139667       0.46182215      -1.16717216 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0005444930344598373 -0.003731733731712184 -0.004404883686591365 -0.003731733731712184 -0.006554333625687619 0.0022817626799313735 -0.004404883686591365 0.0022817626799313735 0.00026289909272904057" pbc="T T T" energy=-971.85310625 free_energy=-971.85310625 config_type=crystal 
Hf       0.78787963       0.20676657       3.68114076      -0.24419996       0.02144296       0.43816836 
Hf      -0.17157421       5.31674634       8.88815535       1.05904105       2.26311207       0.39044504 
Hf       0.32537628       7.55365276       6.32250308       0.36099549       0.76113678       0.43143223 
Hf       5.94719885       5.40112166       3.73787185       0.00203189       0.93310258      -1.21309579 
Hf       8.61761698      10.16067407       1.54716419      -0.84525037      -0.57790802      -0.22967133 
Hf       8.13367719       8.00326286       4.20316758      -0.13152646       0.93375971      -0.23751796 
Hf       6.32198097       7.53387847       1.11212547       0.11009968       1.16871381      -0.96145419 
Hf       1.22393798       7.55154436       1.07746966       0.21785124       0.39138235      -0.30103463 
Hf       3.01975470       8.07742142       4.19719170       0.31830930      -0.55342805       0.06341231 
Hf       3.42268034      10.15809021       1.54748309       1.09944702      -0.61904323      -0.19153387 
Hf       0.85864038       5.32706930       3.71870240      -1.65341516       1.51356510       0.08150716 
Hf       5.43904059       2.31709685       6.34191320       0.74850575      -0.84475702       1.05047420 
Hf       2.49265282      10.18592197       6.81188558       0.65058329      -1.12983921       0.09609472 
Hf       5.99894555       0.29161361       3.73802778      -0.19477011      -2.59735086      -0.75746820 
Hf       5.00866325       5.36848377       8.92879660       0.30411563       1.73302254       0.42773104 
Hf       7.72003701      10.22524373       6.85738640      -0.76108089      -1.05770642      -0.37310091 
Hf       7.32191889       2.82917383       9.43799370      -1.25851948      -1.30727686       0.05939311 
Hf       2.11097273       2.84667285       9.37671208      -0.01948791      -0.84208788       0.28657621 
Hf       3.39698513       4.98584151       1.60096404       0.88462409       0.78733470      -2.13714463 
Hf       3.15786539       2.82214989       4.14409108      -2.38927663      -1.07039945      -0.84810317 
Hf       1.32403920       2.39693318       1.03059084      -0.61511385      -0.87297423       1.23012843 
Hf       4.93986493       0.22620411       9.06368491       0.30899583      -1.27914257      -0.50462627 
Hf       7.76247700       4.96552630       6.68286332      -0.44320058      -0.25213342       0.32459854 
Hf       0.38273662       2.37013411       6.32599232      -0.22858868      -0.00373448      -1.10480599 
Hf       8.14625039       2.84827950       4.05770802       1.82375512      -0.29807178       0.62086673 
Hf       6.32375812       2.39624191       1.12476461      -0.01634612      -1.18632910      -1.84756677 
Hf       5.53291903       7.62931832       6.38802117      -0.84221341      -0.81529509      -0.42188876 
Hf       7.26431239       8.02289678       9.43756286      -0.68868043      -0.78026177      -0.42698051 
Hf      -0.11128067       0.26398800       8.95193853       0.48983220      -1.00070582       0.04254250 
Hf       2.60097335       4.96183068       6.79515363      -0.03183952       1.34678726      -0.56995090 
Hf       8.65511547       5.03952287       1.48526544      -0.78516406      -0.60166696       0.61507866 
Hf       1.98101578       8.04019777       9.45197838       1.61082865      -0.77865366      -0.01310002 
O       9.04525321       3.51275406       6.00472073      -1.22311951       0.70104804       0.26036365 
O       3.83904965       1.75381349       9.63292888      -0.76612776       1.37930604       0.46407891 
O       6.14032865       3.77285879       7.61920511       0.04704992       0.30695494       0.74496234 
O       8.43326513       4.25502471       8.59182663      -0.05209816       0.08923687       0.17273946 
O       4.19071312       0.82333604       7.14746212       1.47299448       1.24794501      -0.97409694 
O       6.66180628       3.83883426       5.01265506      -0.89447945       1.23062366       0.66292429 
O       6.62978737       1.22062478       8.05579182      -0.29464135       1.04934837      -0.07709553 
O       9.32731674       9.50482627       3.44957146       0.29864520       0.56804907       0.16076071 
O       5.75469052       3.97284361      10.40362037       0.22568067      -0.62539798      -1.13405551 
O       6.66474673       6.46581076       8.00563105      -0.20823083       0.12387364      -0.07113261 
O       6.04930937       8.98490202       7.78978995       0.89493222       0.76420179       1.18063362 
O       3.84984049       6.94047010       9.58523459       0.01351568      -0.25062800       0.34804978 
O       8.93820739       8.71548883       6.18213116      -0.53496805       0.00180698      -0.69205130 
O       8.46914588       9.54616717       8.77604921      -0.55076443       0.04225198       0.05599387 
O       4.38982405       5.99591786       6.98160286      -0.77378486      -0.62477606       0.29784659 
O       7.13198243       1.24659439       5.33685296      -0.26742162       0.37022541       0.34339177 
O       6.51957708       9.16484770       5.25522172       0.54462626       0.13536147      -0.87660820 
O       7.51934946       6.58990788       2.71444871      -0.50300366      -0.87690057       0.20460510 
O       7.03916375       9.08776064       2.54948777      -0.32217764      -0.31193326       0.52581481 
O       4.74333680       6.90761827       4.44793139       0.11908774      -0.50340140      -0.57158284 
O       9.70017121       8.51884917       0.86252373      -0.03881670       0.36166913      -0.20200989 
O       7.86851519       1.23470280       0.09843416       0.81633602       0.43420082       0.60469351 
O       5.14737608       6.04961886       1.72987521      -0.18876175      -0.82296380       1.28651809 
O       7.85648124       6.41945363       0.12976245       0.72499469       0.32810232      -0.29182754 
O       7.51349558       1.38116845       2.71719230       0.28231912      -0.05083897       0.21253553 
O       0.43364511       9.16878905      10.46542293      -0.22427192      -0.33977476      -0.27808237 
O       4.83347958       1.76738456       4.44153779      -0.07149237      -0.48283202      -0.50461563 
O       1.93809319       1.13599624       5.25305251       0.16841817       0.98960407       0.91202673 
O       1.53965384       1.42354673       7.85584493      -0.71457467      -0.40514680       0.71707451 
O       1.00711672       3.89894679       7.73900324      -0.35365153      -0.21342936      -0.37409537 
O      -1.15603800       1.85641526       9.68627605      -1.02363523      -0.26983179      -0.49430207 
O       3.75554907       3.41893416       5.96125229       0.42389383       0.59848333       1.57422595 
O       3.21723561       4.36711833       8.70579295       1.11960567       0.07632094      -0.30424363 
O      -0.92611749       0.94722951       7.11549918       1.15374505       0.47808675       0.00098832 
O       1.51689626       3.93972694       5.06950785       0.05980342      -0.52334601       0.71685337 
O       1.10390967       1.14877402      10.47993505      -0.11285971       1.15154752       0.87009723 
O       2.36660408       1.33168072       2.75921217       0.64363900       0.16300767      -1.16501840 
O       1.97089373       3.79680105       2.54514935      -0.85908770       0.66712155      -0.13286453 
O      -0.33353624       1.82591663       4.46502918      -0.38855470      -0.85753747      -1.20289749 
O       4.52758741       3.41471456       0.77789206       0.01033054       0.06733782       0.24654331 
O       4.30827056       4.20489236       3.29077899       0.43527231       0.77362897       1.06343686 
O       0.11475192       0.72905107       1.75269193       0.27723978       0.84322587      -0.32026765 
O       0.41950297       3.95487090      10.32571852       0.62325824      -0.79828615       0.87365968 
O       0.13193760       5.95400892       1.71005168      -0.36579273      -0.39516329       0.18308194 
O       4.16671554       9.54426149       3.46625721       0.95693561       0.74697673       0.03030724 
O       4.51583901       8.51561851       0.83398996       0.03927036       0.90279940       0.84281921 
O       9.77701832       3.30332135       0.97933539      -0.15867622       0.64141374      -0.82774217 
O       9.24754310       4.49379234       3.50816861       0.14588613      -0.48934450      -0.63434356 
O       5.34067049       0.69100586       1.70518560      -1.03294800       0.79309192       0.69453903 
O       7.11201482       6.46630409       5.33221779      -0.53629076      -0.48492492       0.28346069 
O       1.91070451       6.42410006       5.38962953      -0.14849828      -0.22413890      -0.48430469 
O       1.50397634       6.60034254       8.02973010      -0.72895897      -1.34076498      -1.01385292 
O       0.97257482       9.04849790       7.88226136      -0.89896002       0.72383807      -1.23559735 
O       6.92803388       3.84077891       2.35035625       1.07743462       1.33499543       1.80965922 
O      -1.33043894       6.84593483       9.56255269      -0.21646471       0.72776053       1.05790833 
O       3.17545165       9.57115656       8.79798871       0.41573758       0.18774981      -0.17378200 
O      -0.89128615       6.13526700       7.02951850      -0.04081897      -1.14548909       0.19134485 
O       1.43205965       9.10259217       5.17912797      -0.40817859      -0.11116019      -0.19339391 
O       2.76275698       6.43185953       0.13774720      -0.19642617      -0.14084324      -0.21915290 
O       2.25353762       6.58953019       2.68596744       1.00472452      -0.74553876       1.25784827 
O       1.90786707       9.07024801       2.53476689      -0.58238596      -0.39742335       0.10729074 
O      -0.48654074       6.96722210       4.43930999       1.72424221      -0.99627375      -0.09437800 
O       3.74669517       8.64985209       6.08156327      -0.01424646       0.11009264       0.29058652 
O       5.53318741       9.12999543      10.47919087       1.14239807      -0.03152888      -0.56135387 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00825343679237889 -0.0014121642898959972 0.0020716167037456252 -0.0014121642898959972 -0.0003578436812501515 -0.00047636909070543343 0.0020716167037456252 -0.00047636909070543343 -0.00997640269648853" pbc="T T T" energy=-972.52688031 free_energy=-972.52688031 config_type=crystal 
Hf       0.85212911       0.18697648       3.68935694      -0.98569659       0.86393545      -0.62123046 
Hf      -0.09540320       5.42696513       8.92106303       0.05411198       0.50855311       1.07533699 
Hf       0.28957067       7.63556226       6.30167780       0.49496965       0.41845046      -0.29351462 
Hf       5.97146411       5.46237100       3.81441439      -0.39849984      -1.56347521      -0.84971549 
Hf       8.55949066      10.14952186       1.45332182       0.71851471       0.18850579       0.29412258 
Hf       8.10732670       8.00577212       4.05361069       1.23652608       0.99524835       0.73360790 
Hf       6.30565486       7.45844814       1.05499483       0.83052965       1.28419975       0.21724150 
Hf       1.15320955       7.52455972       1.12278976      -0.33048048       0.42681622      -0.57539569 
Hf       2.99308341       7.97084961       4.14229306       0.88241373      -0.08099859       0.80020251 
Hf       3.43764601      10.07483517       1.50753876       1.28546831       1.78557256       0.78450452 
Hf       0.77487678       5.45798349       3.71207800      -0.15106197      -1.05972409       0.89729579 
Hf       5.56197704       2.38510892       6.30791861      -0.21068789       1.28808641       0.99369033 
Hf       2.60043444      10.25658211       6.83554392      -0.40587589      -1.00693877      -1.35156230 
Hf       5.87416355       0.23983004       3.71687299       0.39283607      -0.70055305      -0.76485736 
Hf       5.06290908       5.38777460       8.99308916      -0.39269954      -0.12408149       0.20071204 
Hf       7.67541090      10.22605646       6.73902885       0.93054636      -1.09020264       0.57456725 
Hf       7.34812687       2.87599250       9.39733649      -1.24448245      -0.86291408       0.18746399 
Hf       2.04563474       2.80584471       9.45145430       1.61168694       0.59212156       0.50508409 
Hf       3.50964021       4.97351249       1.58751163      -0.85646081      -0.17324838       0.48438990 
Hf       3.07996841       2.84529126       4.19705036      -0.75135819      -0.19875510      -0.42171069 
Hf       1.26483983       2.43882228       1.11250244       0.06159724      -1.11313824       0.62703261 
Hf       4.99666934       0.14324508       8.91132510       0.72837302       1.67347945       1.47958756 
Hf       7.80238273       5.04285597       6.73701893      -1.53092886      -1.26271633      -0.26657014 
Hf       0.34559624       2.36843437       6.36346019       0.08207196       0.53024315      -1.12091807 
Hf       8.16333757       2.74483102       4.11912678       0.42962706       0.50844577       0.15619624 
Hf       6.37172605       2.38283667       1.08934802      -0.37702000      -1.45152370      -0.69481789 
Hf       5.41344050       7.58508662       6.42558470      -0.06423419      -0.47171307      -0.53526631 
Hf       7.29459621       8.00485227       9.39413686      -0.45207751       0.32234750       0.31816205 
Hf      -0.12347570       0.24555271       8.96614067      -0.16830034      -0.20229884      -0.33349155 
Hf       2.61711995       4.90725898       6.84195254      -0.28272999       1.18935711      -0.06889971 
Hf       8.54694412       4.94316327       1.59916193       0.82418745      -0.16826506      -0.60969791 
Hf       2.03360688       8.01600687       9.41108259       0.93319573       0.00138619      -0.50873935 
O       9.04642040       3.62054964       6.08157041      -0.16004618      -0.79217444      -0.38667425 
O       3.81592791       1.67743370       9.77784545      -0.47426900       0.19293980      -0.84117043 
O       6.15750025       3.91733273       7.63861260       0.05983077       0.25296891       0.81176866 
O       8.44952794       4.33860404       8.64753140       0.72079781       0.24866749      -0.13578004 
O       4.23093225       1.03081788       7.01720247       0.15721193      -1.02498954       0.74439830 
O       6.68456467       3.93266143       5.09770497      -0.06502498      -0.34181214       0.02578310 
O       6.56188417       1.40918173       8.00520956       0.49020652      -0.50044088      -0.37214943 
O       9.46801859       9.32267857       3.24852012       0.02658079       0.44517840       0.33565492 
O       5.79359989       3.89922536      10.37787367      -0.54629734       0.14630820      -0.02531595 
O       6.52074235       6.55582490       8.05155305       0.55847256       0.11448677      -0.71909230 
O       6.10938958       9.11414711       7.77281502       0.57412496      -0.15023880      -0.64619645 
O       3.85961628       6.82370853       9.75351203      -1.07875396       0.36050399       0.03643943 
O       8.93698574       8.83831417       5.88820392       0.34175666      -0.41472721       0.34769458 
O       8.57124264       9.37882825       8.63310296      -0.34994520       0.57635211      -0.87674245 
O       4.09774107       6.23040792       7.32238717       0.88311348       0.03315812      -1.62375091 
O       7.07486535       1.28625279       5.40796408       0.34295554      -0.08166996      -0.72696714 
O       6.62442143       9.15640912       5.16849036      -0.70580079      -0.14471402      -0.64476626 
O       7.56039364       6.41830041       2.81556903      -0.76374240       0.32058727      -0.54584963 
O       7.08531809       8.98225644       2.40702812      -0.61431937      -0.22162935       0.64425206 
O       4.74051261       6.82615742       4.52770528      -1.12296277       1.12845889       0.67814129 
O       9.83679603       8.81795480       0.65476314       0.99348341      -1.09333296       0.18796039 
O       7.94328272       1.20879969       0.07169894      -0.03894265       0.32481407       0.26545270 
O       5.07355290       6.14048718       1.92691869       1.08126775       0.38991645       0.07627254 
O       7.96763617       6.45072987       0.21372660      -0.19879410      -0.42175231      -0.41116343 
O       7.58644493       1.21050037       2.73565842      -0.77757348       0.86153008       0.43552311 
O       0.55743579       9.26569029      10.41546114      -0.31800994      -0.77063256      -0.57017888 
O       4.81779841       1.78893694       4.37236130       0.19259499      -0.32805394       0.73761635 
O       1.96975668       1.32929667       5.37510207      -0.50592424      -0.20052459       0.21315770 
O       1.46543136       1.35011394       8.00855588       0.00280650       0.16288921      -0.21610766 
O       0.96393463       3.88397386       7.85971618      -0.07022986      -0.46746918      -0.77631540 
O      -1.35481411       1.66208827       9.72886096       0.69985287       0.21810204      -0.17601468 
O       3.87747980       3.53884804       6.09892641      -0.41467086       0.08817191      -0.21163941 
O       3.24673105       4.35991401       8.77260061       0.49043549      -0.49958758      -0.41379080 
O      -0.84972595       0.92688874       7.01940686      -0.46782636      -0.25249246       0.84799513 
O       1.55714685       4.00070851       5.14839465      -0.66464429      -0.35005277       0.47962841 
O       2.92485834       1.38473731       0.09627073      -1.32159643      -1.00117678       0.70295107 
O       2.54229247       1.23242628       2.78621590      -1.01935104       0.21385409      -0.06080488 
O       1.89459270       3.76150365       2.59807072       0.39936961       0.69003037      -0.11865052 
O      -0.45871089       1.63755408       4.42711303       0.80017653      -0.08972706       0.74937800 
O       4.68492319       3.56912183       0.82867614       0.64789712      -0.77968538      -0.16411279 
O       4.27774107       4.33031258       3.54757363      -0.61886922      -0.03132989      -1.04530144 
O       0.07738883       0.94754859       1.81511822       0.11588636      -0.41178955       0.31337680 
O       2.34129520       4.05110352       0.02841343      -0.26487810      -0.13493424      -1.37136489 
O      -0.10607099       6.16358117       1.89248653       1.04300953       0.12443981       0.30799845 
O       4.28550664       9.37361616       3.39594287       0.07112953       0.09873960      -0.21207560 
O       4.69813487       8.67300842       0.67254252      -0.31684172       0.45177123       0.79858312 
O       9.90779184       3.55436844       0.85144362      -0.67764355       0.14283087      -0.56350443 
O       9.34446256       4.26781236       3.53051743       0.23841748       0.31730236      -0.99908572 
O       5.15267338       0.88582130       1.87621430       0.40348095      -0.01590078      -0.33764747 
O       7.00596985       6.40902769       5.32158395       0.71498150       1.24737554       1.53261392 
O       1.88082754       6.47941384       5.37044548       0.14591137       0.24570533      -0.07712833 
O       1.37924494       6.61699080       7.98140126      -0.02716471      -0.52050025      -0.02431799 
O       0.96716576       9.13447188       7.71701795       0.12748920      -0.13103544       0.31662198 
O       7.00855072       3.81050876       2.44682512       0.20312152      -0.02003469       0.73633300 
O      -1.39879722       6.73862968       9.77079652       0.05976269       0.77274091       0.36243476 
O       3.34971962       9.43612802       8.62752757      -0.43684991       0.22850032      -0.15473721 
O      -0.93744478       6.23542092       7.07082906       0.42580337       0.09828314       0.70335239 
O       1.53884166       9.16757983       5.05818686      -0.40457631      -0.14971253       0.91613584 
O       2.77357135       6.60970866       0.11083158       0.07281879      -0.77416371       0.14284580 
O       2.37829151       6.47765715       2.69146282      -0.75836223       0.37534938       0.55645911 
O       1.93385816       9.02226147       2.55065785      -0.33788126      -0.66582157      -0.94027489 
O      -0.45506213       6.86021130       4.46337943      -0.13001658       0.36467829       0.25326301 
O       3.80466258       8.70605340       6.07534514      -0.48562642       0.42054931      -0.37639466 
O       5.64757039       9.06139652      10.31418111       0.23233701       0.17432782       0.02735363 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00958243991373064 0.0027600249139773246 -0.002288225968601027 0.0027600249139773246 -0.0038247188733413332 -0.000220734964802702 -0.002288225968601027 -0.000220734964802702 -0.013895730365160001" pbc="T T T" energy=-972.40687601 free_energy=-972.40687601 config_type=crystal 
Hf       0.74787507       0.23283218       3.68223933       0.10767859      -0.51077652      -0.44309162 
Hf      -0.12287507       5.38007934       9.04358448       0.55365007       0.54758660      -0.32828929 
Hf       0.33813780       7.51243944       6.39736763       0.62185161       1.83396119      -0.50448565 
Hf       5.87778752       5.35220571       3.73686316       0.73656324       0.26421895      -0.13272568 
Hf       8.62383005      10.14217363       1.50107869      -0.12888939       0.62983933      -0.13307606 
Hf       8.15231259       7.95359975       4.20053393       0.21302703       0.21402857      -0.79407395 
Hf       6.34354514       7.54735426       1.14532118      -0.46175515       0.82213564      -1.54176239 
Hf       1.18952428       7.63988785       0.91780133       0.23052053      -0.33164365       1.15775821 
Hf       3.05589194       8.06522529       4.01964203      -1.19256335      -0.77860493       0.97209703 
Hf       3.47777334      10.15905423       1.52950294       0.74853010       1.14100211      -1.08382800 
Hf       0.74286128       5.37629405       3.83678022       0.99656224       1.40409191      -1.36064946 
Hf       5.44099003       2.38518311       6.31087095       0.57391022       0.29709302       0.68922851 
Hf       2.63751468      10.13828777       6.59280505      -0.57124355       0.59685032       1.91614432 
Hf       6.00505547       0.15827714       3.68178528      -0.96917467       1.84200862      -0.00478072 
Hf       4.96981363       5.44271620       8.98426993       0.71691500      -1.02352668       0.56859180 
Hf       7.70908232      10.12193126       6.76857602       0.37835712       0.75180229       0.61521696 
Hf       7.25325232       2.79249962       9.51333540      -0.59257744      -0.16061355      -0.91891205 
Hf       2.19200991       2.74646022       9.42115350       0.21457388       1.11718415       1.34896607 
Hf       3.41696310       5.02199309       1.60404407      -0.35009318      -0.56838743      -0.61107378 
Hf       2.96663198       2.78737804       4.14300595       1.07907155      -0.45516621      -0.19622506 
Hf       1.21254056       2.38991412       1.07943211       1.18012825      -0.00294479      -0.02704770 
Hf       5.07670140       0.25153648       8.94118687      -0.94670626      -0.00907448       0.11756680 
Hf       7.73871560       5.01943250       6.94075916      -0.75711109      -1.08879677      -0.54091800 
Hf       0.34678801       2.42057173       6.35551251      -0.48848880       0.00764589       0.81274765 
Hf       8.16664417       2.82243209       4.24317848      -1.11978250       0.60295296      -0.09983453 
Hf       6.42894999       2.46815034       1.20941728      -0.95943967      -0.97707060      -0.86899746 
Hf       5.48616339       7.49490800       6.26407888      -0.23422649       0.99736906       1.01062991 
Hf       7.17939283       8.04181117       9.33833013       0.41325193      -0.25448163       0.11441711 
Hf      -0.07597402       0.27190343       8.92115921      -0.17058143      -0.18080452       0.03021454 
Hf       2.55159867       5.00741426       6.80246362       0.48066762      -0.10814113       0.20284480 
Hf       8.65635558       5.00596626       1.56027627      -0.72330071       0.24371082      -0.40438239 
Hf       2.17163535       8.01367446       9.31469247       0.33679571       1.77612503       0.90102436 
O       8.79210082       3.47833361       6.20562643       1.39036668      -0.69350629      -1.01262716 
O       3.90344919       1.68245231       9.83095048      -0.61988894       0.31311408      -0.58907046 
O       6.12225532       3.70426539       7.91466028      -0.03175263       1.03724833      -0.91390648 
O       8.43311566       4.33867750       8.86100430       0.10820860       0.59334187      -0.99663774 
O       4.23623314       1.01322742       7.13390492      -0.20914707      -0.78721427      -0.14467783 
O       6.54183728       3.94785994       5.18317963       0.01938857       0.09569423       0.21456852 
O       6.69218964       1.26636857       8.04536201      -0.44151815      -0.54533568      -0.21599859 
O       9.41521702       9.34823735       3.30384088       0.05682065       0.58516015       0.19086160 
O       7.52145198       3.97486442       0.00425253      -0.51691316      -0.19618171      -0.18400246 
O       6.58092203       6.39218752       7.99656946       0.06432658       1.08054214       0.11899161 
O       6.16463583       8.94240010       7.73316523       0.00156457       0.55051279      -0.57698309 
O       3.82307887       6.90508844       9.62315598      -0.11781985       0.21381714       1.44579386 
O       8.89937710       8.62139837       6.02705117      -0.12562003       0.75461274       0.17902341 
O       8.50836544       9.48935636       8.59185603      -0.27491464      -0.16304680       0.10590869 
O       4.20033784       6.25935663       7.17842331      -0.14594080      -1.02070757      -0.68184785 
O       6.93781598       1.21694557       5.43591201       1.16590372       0.13502241      -0.97544653 
O       6.55645998       9.14078232       5.11665894       0.51234573      -0.93541221       0.16252204 
O       7.37660437       6.58959669       2.70365568       0.57301747      -0.82613711       0.86687202 
O       7.03604214       9.05317644       2.47942955       0.12189637       0.53083915       0.14666612 
O       4.71518646       6.92509652       4.50365946       0.36237298      -1.20906268      -0.97349799 
O       9.81174800       8.79937218       0.57575800      -0.11350436       0.10326637       0.77103910 
O       8.02789394       1.27150283       0.14037928      -0.35245829      -0.20885370       0.37359608 
O       5.04498414       6.17452496       1.80306911       0.21350330      -0.31142645       0.93861372 
O       7.85653570       6.46008612       0.16009738       0.70336722       0.39330933      -0.43871919 
O       7.54759748       1.42146690       2.72858543       0.22189331      -0.84261079       0.81293043 
O       0.52537808       9.12805057      10.24096399       0.14378370      -0.06438388       0.41862092 
O       4.72114671       1.71447281       4.40133714      -0.34038882      -0.45199192       0.44789976 
O       1.79618701       1.29748512       5.26486063       0.86013275      -0.33783400       0.44847278 
O       1.55338879       1.48243850       7.99533040      -0.72569893      -0.73613395      -0.81613088 
O       0.95110848       4.00550364       7.73339782      -0.08604443      -0.53270741      -0.06277948 
O      -1.31079436       1.70902664       9.75537105       0.43512382      -0.50017283      -0.28529998 
O       3.75635140       3.50175417       6.07860305      -0.63656419       0.55426321      -0.44023956 
O       3.31215231       4.30600511       8.67641399      -0.15301696      -0.25765190      -0.04848468 
O      -0.83630740       0.97780794       7.11505028      -0.40754803      -0.59057589      -0.31849248 
O       1.43609797       3.88645610       5.15079288      -0.53859997       0.59381385       0.18165506 
O       2.86420039       1.29286403       0.11488396      -0.04723940      -0.18331603      -0.51242790 
O       2.32291086       1.30498774       2.59707159       0.41464155       0.65441662       1.84814263 
O       1.89099275       3.87008557       2.62722549      -0.39662546      -0.13132537      -0.68561722 
O      -0.53698829       1.62749077       4.51026454       0.27449432       0.36355541       0.06741020 
O       4.67711346       3.59153100       0.89974914      -0.04800351      -0.68349146      -0.82810643 
O       4.28818267       4.18690635       3.45824673      -0.60747830       0.93976721      -0.29434458 
O       0.04397004       0.94316025       1.85561467      -1.37197892      -0.93093450       0.03490410 
O       0.41430427       3.95109672      10.37032238       1.29208137      -0.84633776       0.90137610 
O      -0.02896836       6.19565622       1.82824490       0.59579811       0.11220912       0.01123502 
O       4.25563095       9.47560335       3.37615463       0.64609297       0.40421196      -0.27074519 
O       4.66863211       8.75210807       0.72478535       0.12699408      -0.50045119       0.07247681 
O       9.82179160       3.47792756       0.85263869      -0.33381656       0.52830449       0.65724897 
O       9.29684418       4.42264968       3.43838225      -0.11726852      -1.24042877       1.08282096 
O       5.20791331       0.92841164       1.90608374      -0.14596984      -0.06427720      -0.50758964 
O       7.13872626       6.41561971       5.33709857      -0.74242411       0.14689471       0.59911078 
O       1.87017025       6.47041802       5.40745217       0.22784344      -0.69930311       0.22617859 
O       1.54589580       6.61817810       8.05457848      -1.15893227      -1.19772110      -1.21083527 
O       1.01597918       9.19129038       7.59123092       0.03153556      -0.42020570       0.20192033 
O       7.00695162       3.86246740       2.61274298       0.28793015       0.80498781       0.05021340 
O      -1.34176667       6.94894921       9.62429477      -0.21522725      -0.11942084       0.18368818 
O       3.41670477       9.36886260       8.49948711      -0.08444788       0.94120182      -0.22927343 
O      -0.83890599       6.13423482       7.12612472      -0.73538517      -1.10265487       0.41116859 
O       1.52519021       9.13113483       4.99650180      -0.54330344       0.21334505      -0.07741083 
O       2.76252725       6.43764703       0.11919949      -0.13523794       0.25028567       0.21939314 
O       2.33716061       6.50340171       2.82382637      -0.12563453      -0.07321993      -0.36264131 
O       1.94388838       9.10975440       2.42226174      -0.65402083      -0.86726412      -0.34557179 
O      -0.42770374       6.89376365       4.53460805       0.03618069      -0.45277574      -0.36388748 
O       3.77377455       8.73901869       5.91618546       1.38196224      -0.74989920      -0.05553644 
O       5.55057075       9.12375013      10.29329082       1.14210652      -0.09196065       0.70344949 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00739576025275128 0.00299832457148285 -0.005664128768442955 0.00299832457148285 -0.009621077582759346 -0.000555758883533947 -0.005664128768442955 -0.000555758883533947 -0.014099881502902032" pbc="T T T" energy=-972.56726315 free_energy=-972.56726315 config_type=crystal 
Hf       0.69530528       0.20849229       3.65449920       1.17891360      -1.60668343      -0.14015013 
Hf      -0.17646663       5.38931652       9.05080017       0.96347134       0.18113193      -0.47730662 
Hf       0.34894774       7.52474207       6.36601362       0.08082701       0.16580027       0.64339080 
Hf       5.87500144       5.41892720       3.79627327      -0.25270810       0.37848284      -1.26541784 
Hf       8.54389026      10.12803441       1.51647696      -0.27315794      -0.11680031       0.05053703 
Hf       8.16436656       7.89843964       4.18903117       0.21660242       1.45713987       0.01505299 
Hf       6.41126203       7.61717559       1.03369093      -0.15922422      -0.94883079       0.45801831 
Hf       1.23022874       7.65792467       1.08891015      -0.75500166      -1.23127741      -0.40625852 
Hf       2.95052779       8.04338644       4.06586067       0.98137081       0.42487483       1.02101612 
Hf       3.60588629      10.19304130       1.45551119      -2.30886227      -0.52244141      -0.12772269 
Hf       0.78663202       5.40686833       3.78157224       0.02687064      -0.72961637      -0.98664602 
Hf       5.41907476       2.46183148       6.32822485       0.97300797      -0.66660945      -0.30469297 
Hf       2.67658995      10.22471518       6.68211662      -1.16334321      -0.91905476       0.30812805 
Hf       5.90121213       0.17935582       3.72678575       1.27825784       0.13268071       0.26171636 
Hf       4.98851359       5.41861030       8.98978326       0.71217964      -0.22690929       0.45188339 
Hf       7.71529721      10.16524508       6.72718072      -0.77999338       0.03092301      -0.36321695 
Hf       7.25798741       2.76345500       9.54190581      -0.44264715       0.01116210      -0.45842450 
Hf       2.23440079       2.86725800       9.44465790      -1.13773183      -1.70781487      -0.51290909 
Hf       3.40624012       5.00896854       1.47261486       0.80303025       0.06759027       1.06321078 
Hf       2.97923780       2.77759027       4.08713192       0.40725173      -0.02914396       0.68181781 
Hf       1.18546548       2.35808480       1.19289807       0.17584020      -0.59973409      -1.40825922 
Hf       5.08847782       0.23437483       8.92003911      -0.34176145       0.30910003       0.71199581 
Hf       7.71609877       4.94607484       6.83486947      -0.29575822       0.12218068       0.66407931 
Hf       0.36583481       2.37216136       6.37435413       1.04609209      -0.34803522       0.22366431 
Hf       8.22529619       2.83291610       4.23925610      -0.87918259      -0.84182049      -1.01786375 
Hf       6.35683153       2.40990588       1.24380249       1.10268380      -1.59245732      -2.08120252 
Hf       5.40517909       7.48835443       6.38384761       0.56874446       1.23282440      -0.49203004 
Hf       7.34760889       8.01442370       9.30270879      -1.68570889      -0.55023739       1.48835000 
Hf      -0.09833529       0.23431446       8.89880483       0.52759354       0.07094964       0.92977624 
Hf       2.54421717       4.98637858       6.74248270      -0.29919393      -0.93363973       0.95489818 
Hf       8.56647445       4.98328196       1.57821200       0.24684846       0.75704397       0.02218174 
Hf       2.19568890       8.11314917       9.29723536      -1.32733255      -1.29704469      -0.02036057 
O       8.99121624       3.51531724       6.12033805      -0.64101676      -0.25346679      -0.50043823 
O       3.93330038       1.69860829       9.75304738      -0.94746661       0.35180680      -0.36412204 
O       6.05968873       3.84819560       7.73636014       0.52993745       0.33632107       0.01327654 
O       8.44324546       4.23256245       8.81011342      -0.16648485       0.35727789      -0.83900339 
O       4.30945715       0.96391237       7.05916050      -0.13533566      -0.24789959      -0.28366525 
O       6.66627075       3.98284749       5.10655476      -0.43934307      -0.38999267       0.74770425 
O       6.57639713       1.37735833       8.05978446       0.74078639      -0.21791767      -0.54803251 
O       9.42902532       9.31693772       3.32450634      -0.79944637      -0.24607794       0.51279882 
O       5.68901821       3.97850071      10.39877025      -0.25584798      -0.12899852       0.19253291 
O       6.54064450       6.43652239       8.00854906       0.72994900       0.92650291       0.42857597 
O       6.05026000       9.08939971       7.70387280       0.79112302      -0.68397322      -0.30893985 
O       3.86736558       6.99274991       9.59645236       0.56828475      -0.58236702       0.59110783 
O       8.95618136       8.71205328       6.05830017       0.27767029      -0.63592460      -0.33212870 
O       8.39002143       9.49346282       8.57780667       1.33991792       0.78860163       0.37598141 
O       4.29162518       6.04401246       7.11388587      -0.84525755      -0.43974751      -0.67875656 
O       7.00006086       1.26981368       5.33452246       0.24207745       0.23214426       0.75305162 
O       6.69803968       9.13262781       5.08596752      -0.59572724      -0.25562029       0.20142796 
O       7.55312902       6.48179664       2.85829328      -0.77826693      -0.64061559      -0.45026342 
O       6.93467913       8.96510206       2.51674358       0.69238575       0.40759612      -0.17127558 
O       4.61084243       6.86244356       4.48816396       1.02966593      -0.31862093      -0.01371606 
O       9.78822686       8.66512800       0.72668186      -0.02416095       0.16808533      -0.36359820 
O       7.97741467       1.29355405       0.19021957      -0.03269650       0.09281614      -0.09674200 
O       5.18164548       6.08964716       1.80610788       0.10066725       0.04548867      -0.07725402 
O       8.02382778       6.51666970       0.22135191      -0.82313160      -0.06625496      -0.67313585 
O       7.54958732       1.26907265       2.72690849      -0.38328984       0.08036431       0.95964233 
O       0.58773676       9.13594792      10.26451198      -0.26626047      -0.12570121       0.34493104 
O       4.76850740       1.76087016       4.28338943      -0.59594638       0.35180052       0.81175976 
O       1.93056661       1.25468780       5.35056284       0.01476675       0.25265927      -0.50719775 
O       1.54733344       1.34315815       7.99492539      -0.48758863      -0.49068974       0.01774436 
O       0.94354584       3.77755604       7.78988414       0.35718736       0.97171575       0.07144450 
O      -1.26505229       1.65149318       9.85400294      -0.51276031       0.08556764      -0.99689558 
O       3.69057462       3.40864663       6.03504568       0.25846934       0.52157335      -0.17264807 
O       3.27755370       4.34344155       8.62321435       0.44185744      -0.03607014       0.57545406 
O      -0.85804120       0.87389636       7.07471060       0.00145198       0.46796248      -0.12427727 
O       1.42413483       3.86216639       5.17382801      -0.32322856       0.48129824      -0.62688028 
O       2.88098291       1.22738502       0.15517807      -0.23824380       0.89904345      -0.57803594 
O       2.28324341       1.32144514       2.65195720       0.27824955      -0.18179100       1.08020661 
O       1.90554345       3.81842980       2.55459893      -0.31038810       0.66480240      -0.41747588 
O      -0.39824164       1.61901842       4.41383641      -1.06889019       1.42206764       0.93161379 
O       4.69706409       3.46166695       0.78012942      -0.90037814       1.15961133       0.80646669 
O       4.16209628       4.34149721       3.44140715       0.16398824      -0.00522826      -0.22299944 
O      -0.06258460       0.79591013       1.79042389       1.06061938       1.08648383       0.38398596 
O       0.53196160       3.96649317      10.40921445       0.45346841      -0.71425708       0.65749079 
O       0.05173512       6.04286589       1.84543793       0.19113077       0.36434233       0.19332945 
O       4.20712254       9.50179614       3.33270740      -0.54283090      -0.61592641       0.68432989 
O       4.72620835       8.71085548       0.70848708      -0.26858767       0.10750456      -0.36068858 
O       9.74123081       3.51329415       0.90213015       1.01098372      -1.10125475       0.03065153 
O       9.30916629       4.32464623       3.49963143       0.51262466      -0.06068134      -0.12251886 
O       5.21062053       0.82744561       1.85784405       0.70261518       0.98080823      -0.58132905 
O       7.02234412       6.44213886       5.45608889      -0.01975734       0.13676623      -0.26858724 
O       1.94066884       6.37061321       5.39743829      -0.38133611       1.06395546      -0.82214126 
O       1.54398736       6.52646078       7.94225792      -0.61171007      -0.13627270       0.43108192 
O       0.96641870       9.02518499       7.65661040       0.44779784       0.83695500       0.49070188 
O       7.01419781       3.77426211       2.53021857       0.24156122       1.21211016       0.94160113 
O      -1.35966224       6.87464426       9.69009564       0.27153243       0.26490485       0.41315084 
O       3.37521585       9.43651423       8.48873630       0.52455226       1.08582001       0.57380879 
O      -0.92640323       6.11846547       7.28418846       0.02995446       0.24360202      -1.55380333 
O       1.52659713       9.12146177       5.09444191      -0.77545352      -0.09063276      -0.17636005 
O       2.76421579       6.49024551       0.10822554       0.29466649      -0.19902306       0.38293412 
O       2.27762028       6.59474819       2.80504166       0.41522470      -1.02813932      -0.94475763 
O       1.79426801       9.03587743       2.45804395       1.14085572       0.78122799      -0.02105155 
O      -0.43409554       6.72904536       4.59299088      -0.63368972       0.88762137       0.09684125 
O       3.83997023       8.70057948       6.00666848      -0.44779525       0.34647681      -0.49721805 
O       5.67282129       9.22072203      10.35834226       0.15187441      -0.94561757       0.00102677 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="4.971567988567169e-06 -0.0018376465002528143 0.002446131362248374 -0.0018376465002528143 -0.004830723441798458 0.001144084919354729 0.002446131362248374 0.001144084919354729 0.0033357537743444274" pbc="T T T" energy=-973.40879401 free_energy=-973.40879401 config_type=crystal 
Hf       0.79957409       0.24132583       3.72101768      -0.55538578      -0.93334265      -0.44560700 
Hf      -0.10371037       5.41059917       9.01175248      -0.93838488       0.14326252      -0.71228224 
Hf       0.37175052       7.53621410       6.37957324       0.32749925      -0.35125386      -0.78386893 
Hf       5.90500235       5.38628702       3.65212659       0.34649434       1.27273477       0.67046596 
Hf       8.54572184      10.18059622       1.56319763       1.08443644      -0.50827846      -0.17876515 
Hf       8.23059184       7.97603146       4.17569227      -0.70715334      -0.73398785      -0.93522088 
Hf       6.38462330       7.59002388       1.02416606       0.66490292       0.37163820       0.96320771 
Hf       1.19913094       7.56773223       1.08791490      -0.34953441       0.64396196      -0.03799536 
Hf       3.00054937       8.02268087       4.09201343       0.67309633      -0.38838518       0.80518035 
Hf       3.44674977      10.19903006       1.49378971       0.94256930       0.15351259       0.80152450 
Hf       0.79026444       5.32331009       3.77137491       0.26803912       1.27100026      -0.51231937 
Hf       5.46402233       2.38323202       6.32930841      -0.10158382       0.29988110       0.84566585 
Hf       2.54202267      10.14190224       6.75628698       0.28052113      -0.72705667      -0.45389946 
Hf       5.91542519       0.27522999       3.73471180      -0.69868167      -0.85155683      -0.49522922 
Hf       5.06368122       5.47815833       9.02222892       0.61830684      -0.86253108      -0.21907967 
Hf       7.69537187      10.11316143       6.68587394      -0.14387111       0.32755821       1.24712254 
Hf       7.22816835       2.76528131       9.38221649       0.06947812       0.86533523       1.04468822 
Hf       2.18324540       2.83560189       9.41151921      -0.58743594       0.13967229       0.89378368 
Hf       3.45902208       4.98196582       1.52339464       0.29348400      -0.08524976      -0.25043645 
Hf       2.99100198       2.82599658       4.18272273       0.34390348       0.13596150      -0.82636650 
Hf       1.19956479       2.37822525       1.13704609       0.26454036      -0.00770474      -0.67755032 
Hf       4.97460000       0.20096629       8.92511121       1.06564399       1.07510954       0.13470699 
Hf       7.73617701       4.98313691       6.82384701      -0.75278955       0.41479589      -0.16559497 
Hf       0.33435613       2.35307751       6.37191789      -0.90862412      -0.37046345      -0.36870183 
Hf       8.08141766       2.82552050       4.17427711       0.68845394      -0.18754069       0.20606471 
Hf       6.47363171       2.37602167       1.08162757      -1.57949017       0.64083062       0.16496112 
Hf       5.47581356       7.52234586       6.30986552      -0.07959783       0.16081880      -0.57602870 
Hf       7.26626544       8.10957595       9.34280642      -0.18016846      -1.18949173       1.17135068 
Hf      -0.07957215       0.25088490       8.97120846      -0.64586505      -0.55518056       0.26820152 
Hf       2.63542100       4.97070254       6.81705806      -0.82823151       0.31015072      -0.15344662 
Hf       8.64185438       5.03071813       1.62379714      -0.40283494      -0.29507249      -1.22374044 
Hf       2.13140869       8.04983549       9.40175965      -0.83326325      -0.22288561       0.30516971 
O       8.81278615       3.44238392       6.10416053       0.73269885      -0.62267090      -0.29309993 
O       3.82371108       1.73283589       9.73381209       0.50188486      -0.24333388      -0.86108414 
O       6.04280751       3.85511793       7.87778842       0.09251581      -0.10682264      -1.54765867 
O       8.32583851       4.34855316       8.73659578       1.42733437       0.15205246      -0.13043144 
O       4.21631908       0.80737915       6.88476227       1.30675894       0.81609858       1.12359424 
O       6.50316347       3.98654571       5.08844954       0.43230946      -1.03042294       0.70702433 
O       6.60001925       1.39108713       7.99322366      -0.75754892      -0.94111066      -0.56534719 
O       9.33416787       9.49189253       3.48844557       0.74177094       0.55428177      -0.28623998 
O       5.71065705       3.98409059      10.40526371       0.01814702       0.05738656       0.16577456 
O       6.63737261       6.49887278       7.97755700      -0.36249177       0.95492164       0.04878359 
O       6.03800417       9.08042063       7.69953658       0.68524823      -0.17895298      -0.11030988 
O       3.76341190       6.91628607       9.67629398       0.80918167       0.14125768      -0.09265156 
O       8.88081755       8.58882334       6.09421973       0.72660092      -0.05652582       0.21800836 
O       8.42578615       9.53029839       8.65685528       0.43984716       0.14967030      -0.14764779 
O       4.28526320       6.07129644       7.02549478       0.48265094      -0.17384929       0.78925559 
O       7.00403378       1.28950984       5.43016536       0.21443009      -0.21644859      -0.90124082 
O       6.69094337       9.11610308       5.02269687      -0.85291640       0.58206062       0.78024865 
O       7.51798355       6.46628206       2.77700216       0.35434678       0.53068066      -0.30122212 
O       7.08460256       9.00593364       2.46851261      -0.60564837      -0.00648322      -0.13015936 
O       4.69526632       6.89200935       4.42247724       0.31507921       0.11834461      -0.26632447 
O       9.74365707       8.64698322       0.92318855       0.16478599       0.18545118      -1.06072458 
O       7.91389442       1.26689817       0.09894323       0.57540390       0.20550490       0.10608389 
O       5.30266515       6.07431680       1.70885965      -1.55670335      -0.68979781       0.35104270 
O       8.00256099       6.56015807       0.11249539      -0.75040158      -0.47526551      -0.04826972 
O       7.44576132       1.28332169       2.74365650       1.05178620       1.13736389       0.34819859 
O       0.47420351       9.10969321      10.40490438       0.44122027       0.34776945      -0.56147567 
O       4.71340383       1.79587454       4.41001661       0.57959019      -0.23320151       0.06184811 
O       1.87028156       1.18306989       5.33180596       0.10943611       0.71460474       0.65561681 
O       1.52856286       1.28571696       8.01136437      -0.65017819       0.27089667      -0.44089561 
O       1.02735177       3.78742235       7.74925842      -0.08843470       0.31112398       0.19641266 
O      -1.29788140       1.64954199       9.72880100      -0.05916274       0.65695117       0.10191433 
O       3.75676206       3.46733995       6.04238391      -0.35787005       0.11348133       0.28577114 
O       3.32313509       4.39892521       8.76544330      -0.30969062      -0.37640835      -0.40207955 
O      -0.97362813       0.86822129       7.13417300       1.69397704       0.88872156      -0.54691250 
O       1.39465209       3.91996678       5.14528438       0.11997824      -0.89352992       0.47225959 
O       2.91854861       1.24866954       0.13885102      -0.91345131       0.41598281      -0.53848393 
O       2.39231454       1.32425343       2.78655454      -0.16353237       0.45947550      -0.28533040 
O       1.85708275       3.86364618       2.50466581       0.15419312      -0.14340739       0.16030915 
O      -0.44977665       1.62086280       4.47734500      -0.72103992       1.14804394       0.38209895 
O       4.66245928       3.47545778       0.87985631      -0.26500077       0.01332917      -0.75988477 
O       4.16643764       4.38428518       3.42524738      -0.56558596      -0.60959738      -0.07305660 
O       0.05227423       0.90028054       1.81725404      -0.44035488      -0.66399011       0.63538418 
O       0.47831307       3.94425025      10.34935261       0.66815792      -0.52976833       0.47204329 
O       0.02506015       6.15144697       1.87603632      -0.18272431      -1.02722169       0.40756862 
O       4.23829786       9.57056328       3.52241391      -0.62456247      -0.43784106      -0.67423793 
O       4.68285346       8.72777411       0.76806141      -0.35121359      -0.08520994       0.11297825 
O       9.76324959       3.40029231       0.91932948      -0.17113648       0.48956834      -0.32966367 
O       9.31977559       4.26567622       3.51281648       0.29369246       0.05057948      -0.41266847 
O       5.20044826       0.93056992       1.80352285      -0.25422567      -0.60497134       0.34934342 
O       7.03913960       6.45512341       5.34757710       0.06392007      -0.27622658       0.39610162 
O       1.98173607       6.40525653       5.35370965      -0.63535615       0.16462239      -0.00397764 
O       1.50961781       6.51422496       7.99453876      -0.34081705       0.10142958       0.20249507 
O       1.02982725       9.03617937       7.78604670      -0.48113497      -0.14223509      -0.21089414 
O       7.02181836       3.89984410       2.46779521       0.10711001      -0.93096895       0.72928394 
O      -1.41723641       6.87217947       9.65836644       0.79557214       0.27925686       0.34612819 
O       3.31742071       9.56077967       8.75023510      -0.75583732      -0.42122597      -0.71532201 
O      -0.78344832       6.03116216       7.03276413      -0.59911370      -0.60834850       0.71663907 
O       1.40868776       9.05046364       5.10959720      -0.04659064       0.28264163       0.03955402 
O       2.67603077       6.43628341       0.08900296       1.11367758       0.15224872       0.02562018 
O       2.41278771       6.49071017       2.69203731      -0.39847021       0.73908978       0.39571887 
O       1.91308892       9.11965303       2.46962704      -0.14595892      -0.91336565       0.34081721 
O      -0.48158434       6.70517012       4.48453548       0.65811264       1.02123216       0.65065860 
O       3.74415385       8.59263211       6.08194087      -0.56107917       0.49429992      -0.14586184 
O       5.74178944       9.26515166      10.35986747      -0.49866109      -0.91284096      -0.43592564 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002806417033944027 -0.001871139349482636 -0.00030866505201721645 -0.001871139349482636 -0.0029531459694109655 -0.001987230283269404 -0.00030866505201721645 -0.001987230283269404 0.0024619683740176074" pbc="T T T" energy=-973.07441689 free_energy=-973.07441689 config_type=crystal 
Hf       0.78842962       0.18725837       3.67799300       0.26026189       0.58799861      -0.27175395 
Hf      -0.03758705       5.45543517       9.00387295      -1.02489752      -1.97028649      -1.30419666 
Hf       0.32607101       7.62206558       6.31616430      -0.94672524      -0.20078871      -0.18317818 
Hf       5.98553690       5.47310147       3.72446733      -1.15873190      -0.79731251      -0.09250332 
Hf       8.62869234      10.11061186       1.49779789      -0.91099895       1.69083863       0.16583167 
Hf       8.14970253       8.08761128       4.11512500      -0.89543816      -0.95713356       0.82319648 
Hf       6.34004473       7.58229070       1.06638440       0.46728406      -0.00047337       0.09989333 
Hf       1.20915998       7.47238995       1.07415704      -0.15813856       0.78438212       1.04931993 
Hf       2.97401825       7.99457045       4.15286222       0.50996121       0.10192291      -0.07387904 
Hf       3.40350694      10.14302034       1.44646967       0.55822459       0.62286193       1.08227434 
Hf       0.80727874       5.40790310       3.76763565      -0.85898070       0.03013558      -0.88304693 
Hf       5.58972653       2.46104141       6.41772239      -1.35795355      -0.48868817      -1.31000600 
Hf       2.55231032      10.26313704       6.80652461       1.05380704      -1.21924324      -0.09189885 
Hf       5.82769377       0.15862968       3.67028252       0.73813616       1.52371730       0.05232163 
Hf       5.02499430       5.39554997       9.01401641      -0.14780348       0.15344556      -0.71982653 
Hf       7.66479674      10.20201155       6.77341102       0.26544588      -0.46041572      -0.20135014 
Hf       7.27253748       2.85294090       9.44960305       0.77205566       0.03074473      -0.31146662 
Hf       2.05959434       2.81905036       9.41430396       1.48873640       0.17300944      -0.50880102 
Hf       3.45361537       4.90338277       1.54721784       0.96990165       0.92727615       0.62046699 
Hf       3.03130572       2.77240635       4.24796927       1.78467411       0.87743518      -1.51443017 
Hf       1.27496429       2.38205126       1.11007628      -0.60697104      -0.34263803      -0.17394662 
Hf       5.01005551       0.19582496       8.95996066       0.72799662       0.07997978       0.00608735 
Hf       7.78818546       5.05905007       6.77502895      -0.89827928      -0.76445126      -0.33196554 
Hf       0.42157592       2.35793321       6.27708543      -2.23920478       0.92915978       0.81354215 
Hf       8.12828183       2.79830083       4.18862910       0.17609225      -0.35685540      -1.15580866 
Hf       6.36151658       2.40295924       1.09313191       0.27807279      -1.53098281       0.08307197 
Hf       5.40947353       7.57129195       6.35449700       0.68419963       0.32193453       0.01155412 
Hf       7.30135527       7.96070557       9.42335851      -1.24097904       1.04806281      -0.54414604 
Hf      -0.11240720       0.18337385       8.94166717      -0.87891167       0.64637693      -0.05863627 
Hf       2.60217043       5.00424480       6.79354253      -0.17765066      -0.72238873       0.08996576 
Hf       8.59714722       4.97553724       1.55164689       0.30336534      -0.07978899       0.26065217 
Hf       2.05128847       7.96442779       9.43967894       1.39161979       1.06762720      -0.63325158 
O       8.92645770       3.45435073       5.95186057       0.27841048       0.39487943       0.96126369 
O       3.86944104       1.65395599       9.69741654      -0.93206495       1.29642094       0.24334728 
O       6.12764400       3.91987233       7.78857472       0.11363372       0.25971998       0.77922637 
O       8.47674058       4.38586159       8.59987197       0.05407368      -0.69406070       0.87322178 
O       4.27359697       0.88729444       6.98602602       0.62869425       0.11292083       0.42867192 
O       6.52415233       3.91337902       5.19382585       0.68942253       0.76361314      -0.46473639 
O       6.61796242       1.47988904       7.99706740       0.12478668      -1.18927934      -0.56346417 
O       9.37655966       9.54743136       3.48425122      -0.48800070      -0.23390584      -0.58257737 
O       5.68703066       3.98015776      10.47489435       0.01430835      -0.45099662      -0.61746475 
O       6.61907411       6.52345643       7.94314270       0.01029503       0.70337158       0.42515975 
O       6.13910841       9.13438855       7.78512559      -0.40441845      -0.84385514      -0.28554384 
O       3.79440521       6.95904463       9.68661123       0.39292743      -0.53752673      -0.28786073 
O       8.75567103       8.57663916       6.09080190       0.80048825       0.61480486       0.21446497 
O       8.35430688       9.59757742       8.75147364       0.85836850      -0.04530937      -0.06368831 
O       4.36864848       5.91644706       7.05399421      -0.00658078       1.16006549       0.07419094 
O       7.12653138       1.23378772       5.27961143      -0.15487364      -0.11387420       0.94810463 
O       6.49664727       9.10245792       5.13449303      -0.08927916       0.43060571      -0.15110727 
O       7.47526215       6.52984293       2.70061250       0.42968861       0.19531396      -0.28884609 
O       7.04656913       9.03543449       2.49562040      -0.27117164       0.00565430       0.33956806 
O       4.74617110       6.91810748       4.54345007      -0.68696680      -0.14405557      -1.11099786 
O       9.84394397       8.68348527       0.84355810       0.22451321      -1.50645366      -0.66784251 
O       8.00012101       1.26597582       0.06209500       0.14974767      -0.04046304       0.25138362 
O       5.10103397       6.15571333       1.80569164       0.16714951      -0.13006425       0.36087733 
O       7.96046924       6.47864776       0.08065562       0.01155776      -0.18233766       0.14822088 
O       7.48939541       1.25980232       2.60209812      -0.12435180       0.65797357       0.92047646 
O       0.50334616       9.10964614      10.40875641       0.20123323      -0.08790383      -0.61374599 
O       4.86789953       1.84907919       4.44709743      -0.61795159      -0.81705525      -0.24857991 
O       1.91284858       1.35082474       5.36466638       0.48833768      -1.30081526      -0.22740912 
O       1.48622976       1.39678839       8.00164524      -0.31307320      -0.94420992      -0.81098247 
O       1.03760549       3.87823488       7.72189232      -0.64922162      -0.49953363       0.09301100 
O      -1.22262561       1.76318179       9.63712795      -0.48514656       0.26073878       0.14091609 
O       3.74617702       3.44961400       6.11834535       0.15548914      -0.13210745       0.09463550 
O       3.24132301       4.39753197       8.74263614       0.56780968      -0.31850195       0.18868145 
O      -0.78425042       0.73573266       6.98814777       0.45910533       0.69835094       0.06601657 
O       1.48828723       3.94277836       5.11527675      -0.46145973       0.19814904       0.28748039 
O       2.82920019       1.29290757       0.04477092      -0.06480758      -0.79730316       0.74538648 
O       2.39932825       1.33332218       2.74002519      -0.20843064      -0.02875663      -0.06154918 
O       1.96923712       3.87574693       2.53347847      -1.09090968      -0.74990434       0.02535114 
O      -0.41126544       1.70221653       4.33974964       0.54599817       0.12220501       0.54870647 
O       4.66347372       3.49415845       0.75939685       0.43078377      -0.24642441       0.39723909 
O       4.22201859       4.34928910       3.38928466       0.28604208      -0.26225333       0.69952582 
O       0.12971615       0.75779281       1.77096998       0.09552625       0.78938852      -0.48349015 
O       0.60119363       3.91951875      10.40414277      -0.93719153       0.28172064      -0.20462124 
O       0.09805263       5.92132094       1.76822019       0.38644820       1.20915739      -0.06071647 
O       4.08623079       9.54947835       3.41501341       0.43229442      -0.26711310       0.11404825 
O       4.77230801       8.82475193       0.71738254      -1.32221364      -0.37786819      -0.00689044 
O       9.89112137       3.53140495       0.78840094      -0.35713088      -0.51953116      -0.13349615 
O       9.37739725       4.32759469       3.40238824      -0.07552562      -0.24205580       0.46305157 
O       5.11328093       0.87590761       1.82600071       0.04574568       0.34656928      -0.24307813 
O       7.07953128       6.48086671       5.26275684      -0.08536293      -0.35511767       0.91474129 
O       1.86529527       6.49541739       5.38443877      -0.04355560      -0.36471062       0.08266523 
O       1.49236975       6.43919675       8.05967305       0.23624409       1.37613943      -0.59949538 
O       1.00831868       9.02673678       7.76507567      -0.34284990      -0.14009543       0.14759742 
O       7.08419367       3.86419042       2.53051510      -0.68086623      -0.25333354       0.26577079 
O      -1.29546901       6.90785486       9.60176293       0.10417822       0.42001787       0.77578863 
O       3.32907414       9.54736268       8.61297134      -0.95988462      -0.81182616       0.45528764 
O      -0.83959936       6.10847094       7.07163236       0.99389208       0.48949491      -0.14233530 
O       1.43977110       9.12355189       5.08434665      -0.60689042       0.53825766       0.40683669 
O       2.76031503       6.42501586       0.08610228       0.56187742       0.48022559       0.59185087 
O       2.33724634       6.55081532       2.75817230      -0.07182841      -0.74972119      -0.07642060 
O       1.89076852       8.94566993       2.46705618      -0.26433156       0.65714626      -0.05563969 
O      -0.52368640       6.92367897       4.42182431       1.69138666      -0.57665992       0.02100672 
O       3.64798608       8.61849490       6.05660044       0.52595280       0.21977137       0.61633965 
O       5.64280779       9.08491183      10.45310322       0.74404166       0.55002563      -0.93052912 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.008454462681671406 0.004713372060209755 -0.0026701225910186494 0.004713372060209755 -0.00626565724382339 -0.001971843540210021 -0.0026701225910186494 -0.001971843540210021 0.005337015026302399" pbc="T T T" energy=-972.29692174 free_energy=-972.29692174 config_type=crystal 
Hf       0.88878916       0.27941156       3.74393573      -1.78332257      -0.62479353       0.55689803 
Hf      -0.12875252       5.42713917       8.87949898       0.22728608       0.22447920       0.28692649 
Hf       0.34663356       7.57800616       6.25132403      -1.06807651       0.49225210       1.49948112 
Hf       6.01338102       5.42181996       3.74176904      -1.04067867       0.44003877      -1.25019132 
Hf       8.64066183      10.15692889       1.55796215      -0.84601188       1.07700175       0.32991033 
Hf       8.11338618       8.10419690       4.11044258       0.33040024      -0.66407096       1.08479883 
Hf       6.40030185       7.58812807       1.12855626      -0.67275682       0.20198581      -0.49933311 
Hf       1.28527851       7.53300121       1.12930159      -0.50198217       0.00399022       0.31427654 
Hf       3.00875221       8.02200093       4.28765508       0.87509648      -0.47910988      -0.90513131 
Hf       3.41061313      10.13160151       1.66632073      -0.07034514       0.32455884      -1.91320010 
Hf       0.78871428       5.38768265       3.75890221      -0.84462535       0.61692032      -1.24368110 
Hf       5.50081650       2.35315429       6.35706849      -0.12372580      -0.55120767       0.57926413 
Hf       2.46718471      10.13055656       6.93683887       0.76448699       0.19979548      -0.79925015 
Hf       5.86433058       0.25846338       3.69374661       1.74777338      -1.09501306       0.07442345 
Hf       5.04845476       5.43515134       8.95079596       0.13946031      -0.55396194      -0.57808957 
Hf       7.69273155      10.12692390       6.81739156       0.23388288       0.58137588      -0.33323059 
Hf       7.34942786       2.84890043       9.32864649      -0.67774718      -0.22161403      -0.48916026 
Hf       2.02392207       2.82786164       9.30800896       0.62713311      -0.20643467       1.12462793 
Hf       3.50975055       4.95417563       1.47575874       0.33797813      -0.70260762       1.00056408 
Hf       3.03512786       2.86331624       4.17376899       0.48672605      -0.73943870       0.22854977 
Hf       1.16189023       2.43475760       1.10912262       0.39001556      -1.32880262      -0.66161385 
Hf       4.99246587       0.20738572       8.99659867       0.35636421      -0.20205807      -0.76657707 
Hf       7.72536016       5.05756551       6.64454889      -0.11698744      -0.53401565       1.34719564 
Hf       0.28091178       2.42421061       6.26926869       0.41517154      -0.77737336       0.51155128 
Hf       8.13713197       2.79417277       4.08846654       0.56613337      -0.04894842      -0.00183990 
Hf       6.38685444       2.33366854       1.00359027       0.06595129      -0.03456357       0.37303474 
Hf       5.52972938       7.58741966       6.35982983      -0.79125905       0.47515497      -0.00276716 
Hf       7.28454144       7.98020171       9.51187750      -0.60457949       0.39853469      -1.39113787 
Hf      -0.11510327       0.17821154       9.03190773      -0.46627185       0.28816533      -0.26604256 
Hf       2.64439260       4.98330430       6.76166989      -0.62167989       0.20399839       1.09771592 
Hf       8.56359464       4.93989874       1.43444303       0.92664055      -0.48149862       1.57262275 
Hf       2.08685551       7.91380211       9.51196172       0.14560039       0.87236397      -0.25763088 
O       8.93501299       3.58717923       5.99655526      -0.21722755      -0.54379802      -0.32741683 
O       3.90309810       1.78164961       9.55437652      -0.76700758       0.05108248       0.71962980 
O       6.10269987       3.87391470       7.64231459       0.59941274       0.66128064       0.33539870 
O       8.38844873       4.47071945       8.59186685      -0.09264903      -0.69491290       0.50289688 
O       4.16847565       0.81141972       7.01967567       1.47984881       0.33237899       0.49937136 
O       6.62815835       3.96176132       5.05945890      -0.17951053      -0.11808935       0.40777225 
O       6.68479633       1.40627431       7.98788884      -1.10280171      -0.98715602      -0.48354053 
O       9.31713717       9.60995631       3.64716990       0.36134778       0.19940920      -1.19258987 
O       5.74211206       3.82091858      10.30203729      -1.06809915       1.46195211       0.04157213 
O       6.66547969       6.60867535       7.99126625      -0.21902189      -0.64984296      -0.31257835 
O       6.05004531       9.07159168       7.74063156       0.14710076       0.42387598       0.29113001 
O       3.95388821       7.05377929       9.55484442      -0.19391458      -0.46287622       1.08607951 
O       8.80649564       8.56876321       6.11195333       0.20544772       0.35564407       0.02893743 
O       8.30404770       9.55893789       8.77000434       1.12008186       0.72099220      -0.08985197 
O       4.35148795       6.02730549       7.07064803       0.20155948      -0.08817399      -0.36277585 
O       7.06136228       1.23755566       5.36548070       0.58907462       0.10864198       0.15371432 
O       6.50308128       9.11088175       5.12310809       0.22656061       0.45593423       0.08159074 
O       7.59087772       6.54174013       2.74844088      -0.67918555      -0.28488000      -0.65942593 
O       7.03828551       9.04436215       2.53136754      -0.08545570       0.06055315      -0.35132825 
O       4.79761297       7.00865319       4.33213262       0.08039289      -0.54761487       0.34699698 
O       9.70392394       8.62133436       0.85308244       0.98557868      -0.52523978       0.80808710 
O       8.00551495       1.24972488       0.09407810      -0.32625165      -0.77039446      -0.09739654 
O       5.28914711       5.95625467       1.62902328       0.09897635      -0.22098073       0.73444866 
O       8.02988047       6.39910486       0.09891299      -0.81508824       0.37819978      -0.12487347 
O       7.50801374       1.35404885       2.69126961      -0.34718274      -0.58140649       0.12962624 
O       2.21295469       9.11339007       0.00787953       0.66074931       0.12909837      -0.38428710 
O       4.84956755       1.68628249       4.48551214      -2.46201929       1.97375484      -0.25807785 
O       1.92499532       1.30956197       5.32440535       0.16888279       0.04876748       0.01435326 
O       1.51675941       1.40681160       7.89791542      -0.55542668      -0.69665759       0.80662116 
O       0.93795710       3.88101294       7.70454063       0.48094441       0.22047969       0.45561925 
O      -1.22299004       1.78432417       9.66381656      -0.58500257       0.07323299      -0.23362972 
O       3.79664902       3.49353274       6.09050694       0.04454799      -0.63033065      -0.89731232 
O       3.33412814       4.26618191       8.65431467      -0.23327694       0.60858456       0.25900315 
O      -0.81426650       0.87242759       7.05160102      -0.48796090      -0.35989407       0.20579065 
O       1.49336927       3.99093634       5.19520679       0.08843816      -0.17936557      -1.14070322 
O       2.76726689       1.29996528       0.13311098       0.41101655      -0.55637285      -0.38114567 
O       2.32818039       1.25810205       2.69218526       0.80020854       1.35038925       0.64930154 
O       1.90010894       3.77813280       2.48570858       0.54260142       0.91311523       0.79532775 
O      -0.35752245       1.81625428       4.38639187      -0.08604382      -0.18445779       0.10835016 
O       4.63038820       3.37176430       0.84310311      -0.68372139       0.59284175      -0.60689088 
O       4.24642545       4.36088135       3.51534062      -0.36546575      -0.04373369      -0.58406068 
O      -0.01817395       0.88739201       1.88426310       0.68342920       0.29743696      -0.45911070 
O       0.42696726       3.96409343      10.30983324       0.71658632      -0.55915831       0.43952325 
O       0.11978329       5.99158687       1.75771058      -0.31732527      -0.17859362       0.06338538 
O       4.16655444       9.55322166       3.48935324      -0.51094388      -0.17341664       0.70006327 
O       4.51105118       8.51837007       1.02537142       0.87260139      -0.48572934      -0.78993842 
O       9.66802605       3.36436703       0.76781076       1.12322520       0.52131212       0.41760277 
O       9.40029286       4.24408435       3.32235897      -0.00379063       0.32616106       0.36402820 
O       5.15755766       0.82805241       1.80752661       0.26887790       0.22615664      -0.31184237 
O       7.04638862       6.50849482       5.31361789       0.23150941      -0.54031992       0.19124580 
O       1.88822134       6.49103819       5.42516351       0.28521320      -0.46980707      -0.77849903 
O       1.52641886       6.57400355       8.06050154      -0.30796920      -0.58340099      -0.81862843 
O       0.82465067       9.04331574       7.88868456       0.44749354      -0.20768946      -0.62647112 
O       7.05424776       3.78178250       2.49158009      -0.25723919       0.96633670      -0.59160497 
O      -1.23702237       7.00351395       9.66593452       0.23916947      -0.38037151       0.12006823 
O       3.15594290       9.49320306       8.81093488       0.76027163       1.01872028      -0.10008539 
O      -0.74302732       6.01656016       6.95764536      -0.27656965       0.31388337       0.11065274 
O       1.49976475       9.19962215       5.24694695      -0.77379736      -0.22027243      -0.29266651 
O       2.85824629       6.33384299       0.10266254      -0.46103122       1.10303259       0.32474267 
O       2.40691269       6.57234963       2.81625314      -0.38460983      -0.79390570      -0.45001871 
O       1.79929692       9.04049581       2.55736111      -0.02457484      -0.07017349       0.74067686 
O      -0.48467128       6.87587301       4.41072173       0.97423977       0.01194707      -0.01278188 
O       3.66642978       8.42299474       6.21408370      -0.09040678       1.22522427       0.02824618 
O       5.56487642       9.15104118      10.42310000       0.50054551      -0.39917755       0.13701749 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0017456564611481316 0.0032913614651092033 -0.0017163446990175928 0.0032913614651092033 -0.0072168546774989874 -0.0010031429675946 -0.0017163446990175928 -0.0010031429675946 -0.004170006616788601" pbc="T T T" energy=-972.88012764 free_energy=-972.88012764 config_type=crystal 
Hf       0.73354261       0.14520240       3.67464447       0.05425695       0.73761957      -0.34684134 
Hf      -0.12922965       5.38535262       9.01302305       0.04988490      -0.17226961      -0.53970131 
Hf       0.29416068       7.50346992       6.33385264      -0.05839961      -0.02720666      -0.87680114 
Hf       5.89140667       5.36856565       3.77470864      -0.04032074       1.28314045      -0.83842231 
Hf       8.48610870      10.07119908       1.52388113       1.30422410       1.09692761       0.11135096 
Hf       8.07768015       7.92352992       4.13319767       0.77440022       1.33034161      -0.08078614 
Hf       6.36221476       7.58317855       0.93935882      -0.40222354      -0.00435948       1.08003603 
Hf       1.23999075       7.57295419       1.10590461       0.42484424       0.50986331      -0.70236953 
Hf       2.95249340       8.06345592       4.18969207       1.23337964      -0.82930066      -0.70738681 
Hf       3.48724091      10.19497213       1.41827759       0.79844307      -0.31658224       1.65907246 
Hf       0.79174654       5.38177483       3.70692852       1.03206781       0.11170232       0.79184679 
Hf       5.50324112       2.47555478       6.35703457      -0.38368055      -1.14572156       0.03528433 
Hf       2.54336597      10.18220328       6.76357942       1.06435304       0.05167778      -0.09585885 
Hf       5.91841701       0.28804507       3.77646181      -0.85259035      -0.75508830      -1.18361296 
Hf       5.12741289       5.36558020       9.03080391      -1.37156293       0.43272134      -0.77642123 
Hf       7.68730399      10.13809835       6.69742752       0.12517911       0.61058616       1.35037345 
Hf       7.24981444       2.76356265       9.46462350       0.69766136       0.74924322       0.50673392 
Hf       2.14851105       2.80262029       9.46602134      -0.23876519       1.16889509       0.35759932 
Hf       3.52199714       5.05921767       1.51761354      -1.03972068      -0.87965729       0.18843151 
Hf       3.05679890       2.86484340       4.12105364      -1.07878403      -0.34922753       0.63094199 
Hf       1.22140598       2.31705945       1.20326740      -1.07502203       1.53745754      -0.97623200 
Hf       5.02244809       0.32333041       8.90590396      -0.10989397      -1.12474491      -0.07852998 
Hf       7.69646249       4.94735949       6.81128757       0.23011824      -0.13907038      -0.00562258 
Hf       0.43835994       2.34155228       6.36641107      -1.18857362       0.58464183      -0.35791486 
Hf       8.21000771       2.74063771       4.21207155       0.25744797       0.69438243      -0.21054621 
Hf       6.43198277       2.42262921       1.15096115      -0.38426961      -0.23044863       0.26127592 
Hf       5.44176208       7.55663114       6.32636415      -0.28337575       0.05382831       0.29136788 
Hf       7.28098271       8.09433110       9.34833824       0.80621004      -0.81463263       0.16421834 
Hf      -0.08646761       0.30092997       8.94012106      -0.65347025      -0.71255840       0.05643220 
Hf       2.54100985       4.92769295       6.83506279       1.05381997       0.67800980      -0.33092085 
Hf       8.63097476       5.07221572       1.62905856      -0.32743214      -1.48625310      -0.75323729 
Hf       2.11764048       8.02560990       9.28561929       0.19172532       0.70801594       0.42066932 
O       8.85288926       3.35858556       6.06000074       0.02608703       0.46887896       0.56374509 
O       3.88441819       1.79228449       9.69069564      -0.27969301       0.02589741       0.10929045 
O       5.99068632       3.77745213       7.91767972       1.07294848       0.53721104      -0.29948638 
O       8.44979815       4.32032657       8.66189252      -0.80383717      -0.87238668       0.40428039 
O       4.38210781       0.88387479       6.95625067      -0.42787143      -0.25547764       0.64565621 
O       6.47704115       4.01312315       5.22661131       0.66046575      -0.82642347       0.16149014 
O       6.67745406       1.33969652       8.00977605       0.04158528       0.04424171       0.05035947 
O       9.29134294       9.54713337       3.39989645      -0.67897216      -1.23855844       0.65262461 
O       7.46238662       3.94669612       0.00774114       0.05520739      -0.18852747      -0.25846422 
O       6.66217644       6.49992449       7.99797686       0.05967194       0.36364063      -0.05679132 
O       6.17564704       9.11998646       7.78296404      -0.30953319      -0.71602959      -0.85605937 
O       3.81201884       6.94638478       9.59880313       0.51608819      -0.36296545       0.11189067 
O       8.75526952       8.63874361       6.03477183       1.73710613      -1.36976370      -0.32624786 
O       8.58276338       9.38629835       8.56156899       0.08680714       0.81654691       0.21177861 
O       4.36563155       6.03205978       7.09492465      -0.56623025      -0.27363345      -0.17168446 
O       7.06842627       1.25831069       5.36137539      -0.18582152       0.13994410       0.00719168 
O       6.51219778       9.09870422       5.07404547       0.14848618       0.44366012       0.21991530 
O       7.53086996       6.63093905       2.65862886      -0.27803870      -1.72061211       0.32310664 
O       6.96195722       8.99309632       2.42618822       0.22884594       0.70063068       0.51411186 
O       4.75030266       7.01138033       4.39673085       0.01295491      -0.60437615       0.53611145 
O       9.91247192       8.77156837       0.79162094      -0.90341704      -0.15383758      -0.62483004 
O       7.84768566       1.17464845       0.13419937       0.90612823       0.76839404      -0.05504572 
O       5.17982023       6.10569705       1.83266134       0.66445762       0.26520919      -0.27198649 
O       7.95076700       6.41057772       0.08755619       0.09650380       0.58844841       0.02147466 
O       7.55796352       1.38080219       2.79476915      -0.43298101      -1.16409060      -0.52106330 
O       0.62643609       9.23014021      10.26177437      -0.11401549      -0.91465579       0.40199368 
O       4.73556253       1.80121994       4.42941581       0.60404221      -0.33464333      -0.08572070 
O       1.93932129       1.26398545       5.42901187       0.22910281      -0.30171399      -0.74021963 
O       1.56440350       1.39359338       8.05617310      -0.72000666      -1.05128121      -0.57798136 
O       1.02155260       3.81430381       7.75032549      -0.30336377       0.25538167       0.49990923 
O      -1.23864797       1.72647122       9.76202737      -1.14033374      -0.04511562      -0.47673221 
O       3.79058281       3.47719141       6.07444566      -0.42999716       0.28281443       0.10195657 
O       3.28620174       4.33287119       8.76871056       0.16406870       0.33191508      -0.14658535 
O      -0.83191646       0.89496321       7.09017230       0.21587746      -0.09827927      -0.30026374 
O       1.52136195       3.94066747       5.16661233      -0.71646958      -0.43726408      -0.09795039 
O       2.75325826       1.28804813       0.16055605       0.97603721       0.17201854      -0.32398827 
O       2.33492941       1.43280448       2.67967518       0.39469220      -1.06708959       1.24464126 
O       1.84898035       3.92867010       2.54920289       0.23425600      -0.35564904      -0.64340360 
O      -0.33347183       1.68422199       4.45886218      -0.29618962       0.20005379       0.05915050 
O       4.68000461       3.48070831       0.88895969      -0.38392256       0.10134604      -0.08555236 
O       4.13731755       4.40407079       3.47172224       0.69386167       0.27642410      -0.05483715 
O      -0.05496596       0.87076545       1.86717760       0.39902114       0.22607950      -0.38364319 
O       0.49099381       3.93803280      10.40630820       0.56238001       0.26757886       0.01961943 
O       0.00808827       6.22515354       1.84576355      -0.35097158      -1.19219421       0.13137138 
O       4.18500438       9.51460904       3.41577218       0.02914489       0.55012096       0.15536908 
O       4.75631616       8.81364969       0.67681406      -0.40264234      -0.45264036      -0.13536604 
O       9.74913300       3.48427353       0.81336387       0.35510296       0.09468510       0.42935009 
O       9.37157665       4.27583335       3.45870729       0.16085668       0.49455933      -0.15947034 
O       5.23045654       0.92030160       1.88652798      -0.46997837      -0.11580405      -0.58052702 
O       7.00770420       6.44187266       5.35170299       0.64627646       0.02659065      -0.20631986 
O       1.92683197       6.38449548       5.40693302      -0.32025008       0.69738372      -0.14570805 
O       1.39224457       6.54558672       7.91583173       0.09128956      -0.47108012       0.97342213 
O       1.07774845       8.99421609       7.62598565      -0.77152411       0.40200395       0.47557429 
O       7.03884257       3.82232408       2.64580250      -0.26274112       0.97983225      -0.21147942 
O      -1.31410673       6.88352287       9.67185507       0.34327951       0.01578448       0.31484740 
O       3.28185126       9.63615752       8.62659449       0.20109162      -0.40673291       0.59544374 
O      -0.81936441       5.86334008       6.95001605       0.23124833       1.16106790       0.09133072 
O       1.34635226       9.05650986       5.05616738       0.07150375       0.51665165       0.44241856 
O       2.86902631       6.49266604       0.11077036      -0.28696357       0.31713054      -0.14121411 
O       2.36390833       6.55259238       2.79259374      -0.00269273      -0.03123538      -0.56581925 
O       1.93755395       9.03412594       2.46552562      -0.25235466       0.65392062      -0.38193938 
O      -0.34548424       6.91494052       4.34926569      -1.25889709       0.83101950       0.94179726 
O       3.69636213       8.63808799       6.16791420       0.10179209      -0.16680455      -0.92194140 
O       5.73389207       9.11561671      10.30658425      -0.35595073      -0.17408723       0.28871452 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004358735940431469 -0.004947638978804902 6.654408048144202e-05 -0.004947638978804902 -0.003319386040812711 0.0004076265384985451 6.654408048144202e-05 0.0004076265384985451 -0.0032629473817871856" pbc="T T T" energy=-973.11220674 free_energy=-973.11220674 config_type=crystal 
Hf       0.74895628       0.20102323       3.74423657       0.52781589       0.53984987      -0.01657279 
Hf      -0.06578166       5.48484001       8.95968008       0.38517109      -0.74260143       0.74331550 
Hf       0.29037700       7.55402691       6.33585111       1.50199091       0.75464769      -0.16958424 
Hf       5.85863148       5.42483305       3.73560456       0.03143714      -1.00679180      -0.33692821 
Hf       8.66053551      10.24105527       1.52458415      -1.82599927      -0.48668957      -0.44218904 
Hf       8.12962544       8.03577815       4.10129479      -0.16969877      -0.23652595       0.20569012 
Hf       6.34137913       7.53961121       1.12332739      -0.52300120       0.18494590      -0.78304161 
Hf       1.18176109       7.60519195       1.13163251       1.57338069      -0.30971763       0.11966712 
Hf       2.98668584       8.04570618       4.23119228       0.48659096      -0.71277914      -1.02337306 
Hf       3.44543014      10.20206485       1.52634090       1.17736460      -0.86640826       0.33702474 
Hf       0.77707920       5.47879837       3.69649944      -0.00851673      -0.55330793       0.42099723 
Hf       5.49261423       2.43015677       6.35075060       0.02936205      -0.77020506      -1.43434778 
Hf       2.59680886      10.18164917       6.80977339      -0.52981826      -0.21097478      -0.28755143 
Hf       5.87887564       0.17577024       3.64815947      -0.35280024       1.63740374       0.59181772 
Hf       5.09967441       5.43181345       8.92718928      -1.39629962      -0.17611034       0.75766765 
Hf       7.67705574      10.16717715       6.79926608       0.22703092       0.41915686      -0.81785215 
Hf       7.36259832       2.77482843       9.44573221      -1.19241507       0.39565556      -0.31081303 
Hf       2.15206565       2.87440705       9.39402754       0.70051668      -0.94751043       0.12689514 
Hf       3.43417379       4.91936845       1.53991868       0.40037610       0.61148475       0.25570038 
Hf       2.89742226       2.82020732       4.21615533       1.75279744      -0.90140504      -1.00975175 
Hf       1.24607016       2.33366574       1.08242719       0.95646270       0.56998198       0.21979614 
Hf       5.04718591       0.19366378       8.87442258      -1.21863797       0.59747187       1.88848078 
Hf       7.76193393       4.98332207       6.80568330      -0.82555444      -1.03499311      -0.63708576 
Hf       0.31790283       2.31973557       6.40089961      -0.80999526       0.70755184      -0.47239351 
Hf       8.15227700       2.83533985       4.11806653      -0.60947893       0.32142565       0.79147599 
Hf       6.43034615       2.41235134       1.09390391      -0.83336210      -0.85021622      -0.29052795 
Hf       5.49406734       7.52746869       6.33164804      -0.65925872      -0.16442309      -1.03775463 
Hf       7.27922155       8.00843910       9.40248009      -0.34035781       0.18932099       0.35552172 
Hf      -0.04492326       0.18255749       9.00838663       0.13287911      -0.23959590      -0.54287265 
Hf       2.59283942       4.87184875       6.81363309      -0.47822699       2.21930535      -1.08994519 
Hf       8.61722160       4.97188215       1.47181283      -0.49046111       0.04889382       0.70680129 
Hf       2.11545113       7.99940526       9.37550819       0.41602467      -0.22607753       1.37509616 
O       8.87970601       3.45641154       6.03461327       0.06448254       0.53961236       0.67690112 
O       3.83519099       1.70080916       9.67515960       0.59151960       0.02136574      -0.30219405 
O       6.10809955       3.81992049       7.72743863       0.88076680       0.64318821       0.85426649 
O       8.49171519       4.35490069       8.75560384      -0.45967702      -0.27681593      -0.70032070 
O       4.23342279       0.96175888       6.98963381       0.31528718      -0.83245517       0.90152649 
O       6.55788125       3.96138468       5.09576257       0.04226330       0.04315200       0.43463880 
O       6.62258391       1.24363087       8.07516771       0.34183225       0.52793477      -0.75176271 
O       9.33195015       9.55428948       3.40016936       0.11782527      -0.14031624       0.32109611 
O       5.60751479       3.90164619      10.39505357       1.21534674       0.38927350      -0.53425927 
O       6.57081788       6.50420145       7.94116691       1.18115556       0.36132786       0.56746468 
O       6.12585526       8.97355259       7.63603345       0.39034563       0.93643578       1.26517107 
O       3.78776754       6.87246697       9.74061280       0.45518029      -0.02476641      -0.41464084 
O       8.89219337       8.65354864       6.05973392      -0.83127946       0.38421054      -0.17063641 
O       8.49174726       9.51231673       8.73400130      -0.79479373      -0.69492027      -0.32403152 
O       4.27956509       6.13085798       7.09127045      -0.25628175      -0.52500612      -0.07168282 
O       6.98317488       1.34468532       5.43113372       0.87133194      -1.12547148       0.07194210 
O       6.53034326       9.15684644       5.02255596       0.86575469      -0.69863223       0.66538600 
O       7.40333955       6.46123591       2.76387401       0.79367081       1.06413557      -0.19014931 
O       7.04619210       9.03690565       2.44593394       0.49842821      -0.11114542       0.42810037 
O       4.64279520       6.81815617       4.42256428       0.28858264       0.97588980       0.81167800 
O       9.75978098       8.68425820       0.82207243      -0.04238138       0.03591904      -0.30147129 
O       8.01081185       1.33568961       0.10995730      -0.03203412      -0.47985838       0.60455851 
O       5.07621246       6.08767134       1.84571063       0.32128847      -0.20440938       0.04429208 
O       7.94163565       6.42113342       0.05572976       0.34513039       0.42804556       0.20922103 
O       7.53749197       1.30188468       2.84437402       0.09287984       0.07784930      -1.21238140 
O       0.51978637       9.10661030      10.46001313       0.13275723       0.36206659      -0.70818171 
O       4.71941732       1.74385397       4.38229444      -0.24684394       0.14519927       0.22796073 
O       1.78534429       1.24401302       5.38392813       0.84341889      -0.40562579      -0.01781747 
O       1.53409183       1.32039572       8.00640925      -0.77612709       0.13403342      -0.10547328 
O       0.93944789       3.82925108       7.76846809       0.37782522       0.28648308       0.10520841 
O      -1.30996216       1.60919730       9.74512374       0.05055815       0.56426637      -0.16670350 
O       3.75692325       3.45327824       6.05012337      -0.03648380       0.16526458       0.06493170 
O       3.29333573       4.41663723       8.64093934       0.06236953      -1.06975062       0.76669310 
O      -0.91806040       0.86113427       7.09624510       0.74135234       0.29632277       0.26019007 
O       1.45737715       3.93979863       5.21139071      -0.91127422       0.20396095      -0.47864808 
O       2.86449036       1.22552339       0.09664077      -0.52728754       0.66652259      -0.10483348 
O       2.33114611       1.27779260       2.71187396      -0.18679992       0.39005926       0.43701661 
O       1.84207627       3.77122336       2.54443751      -0.23988062       0.59492952      -0.28931044 
O      -0.42257506       1.80007721       4.45046444       0.74190508      -1.07987243      -0.44374285 
O       4.72781840       3.52540123       0.72490149      -0.37748270       0.05007141       0.59042394 
O       4.14281740       4.25019208       3.44199004       0.17361072       0.35335427      -0.49840724 
O       0.04685708       0.91053784       1.78306267      -0.12950652      -0.44132638       0.69595024 
O       0.57807831       3.90914591      10.33967863      -0.36821115       0.49612445       0.59575506 
O      -0.02505528       6.17217956       1.84405363      -0.20626271      -0.53026384       0.30476621 
O       4.10971866       9.65935438       3.48945636       0.18287365      -0.88838139       0.12633523 
O       4.76222718       8.74320962       0.89017366      -1.13626714      -0.47030638      -0.69180123 
O       9.89781519       3.55595816       0.79079560      -0.39957545      -0.51591346      -0.36916107 
O       9.26001691       4.39770954       3.37646796       1.52329641       0.25099497       0.71688923 
O       5.26342507       0.78427830       1.70507629       0.06914329       0.84905958       0.39838909 
O       7.05190904       6.44930692       5.38161937       0.34216276       0.33522659      -0.21356491 
O       1.98023129       6.44306942       5.38013038      -0.79484562      -0.05827647      -0.14963909 
O       1.51231710       6.60982618       7.91412076      -0.64717519      -0.72382113       0.64989451 
O       0.95949427       9.05726897       7.76761943      -0.10897165       0.16025674      -0.11945374 
O       7.10632714       3.85608360       2.50879842      -0.98405118      -0.43607218      -0.72014614 
O      -1.30518621       6.85209524       9.79263364      -0.69671703       0.58025679      -0.78154066 
O       3.23805810       9.55882089       8.75039418       0.63802353       0.16853559      -1.05974023 
O      -0.85094753       6.06875612       7.09849810       0.01786403       0.22414099      -0.19032979 
O       1.43271526       9.09915277       5.11412967      -0.38898896       0.72209793       0.63183073 
O       2.85520546       6.52223973       0.10077590      -0.51788322      -0.80575534       0.06167164 
O       2.33648964       6.48999220       2.73335931      -0.22154738      -0.13464843      -0.07322905 
O       2.00366411       8.97828963       2.55797697      -1.60594872       0.42872907      -0.39287557 
O      -0.29444127       7.09113136       4.39709459      -0.71610503      -0.91431890      -0.25338959 
O       3.79732419       8.71482260       6.04724684      -0.02531299      -0.02976288       0.28500472 
O       5.61973017       9.12840519      10.30532670       1.07876822       0.02423877      -0.27210021 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010887103346502659 0.0007365100231026914 -0.0022252562755657956 0.0007365100231026914 0.0004584543179972484 -6.708174904358211e-05 -0.0022252562755657956 -6.708174904358211e-05 -0.011813172657924233" pbc="T T T" energy=-972.71709204 free_energy=-972.71709204 config_type=crystal 
Hf       0.86902769       0.21827288       3.69985238      -1.22618315      -0.01811403       0.60510102 
Hf      -0.13343042       5.37408560       8.88800981      -0.26322137       0.32675250       0.76807095 
Hf       0.32029716       7.54230458       6.32907561       1.45683717      -0.56622598       1.05955801 
Hf       5.97029024       5.46112115       3.72145566       0.11960078      -0.57925572       0.01417890 
Hf       8.63524655      10.16297396       1.53256785      -0.32380175      -0.17866007       0.08865619 
Hf       8.25113091       8.00243382       4.21245482      -0.57063439      -0.00036237      -0.55392034 
Hf       6.38754158       7.54907926       1.08435384      -0.11320517       0.69708249      -0.01938363 
Hf       1.20074989       7.55030168       1.07612096       1.30041338       0.33489893      -0.73413890 
Hf       3.02999686       8.03800448       4.16541462       0.19054670      -0.59764066      -0.31157660 
Hf       3.50984017      10.22516529       1.50227376      -0.30043828      -1.01499502       0.22703441 
Hf       0.83623243       5.44154085       3.70398205      -0.37435465      -1.35202780      -0.23736283 
Hf       5.39115724       2.40387327       6.35454929       1.37438081      -1.88096893       0.04737085 
Hf       2.50670570      10.19336818       6.72051148       0.94011880      -0.59940851       1.31448789 
Hf       5.92097123       0.11895392       3.70722736      -0.23881010       1.18579366       1.28630480 
Hf       4.94240880       5.39516667       9.03697625       1.82829435       0.89743077      -0.31924859 
Hf       7.74382733      10.15331920       6.81510117      -0.59283101       0.79592939       0.10469927 
Hf       7.19812695       2.81459178       9.41559638       0.55047851      -0.82514542      -0.70476844 
Hf       2.03504110       2.83651353       9.41211281       1.38236328      -0.46234208       1.18311683 
Hf       3.48983774       4.96980180       1.48102730      -0.54946566       0.59826179       0.54790331 
Hf       3.06718181       2.89593127       4.17162655       0.13867872      -0.86774318      -0.84410354 
Hf       1.16579366       2.34029298       1.09094726       0.73119581       0.27231234       0.48083028 
Hf       4.98809582       0.19613438       8.98351032       0.19435868       0.10200342      -0.72228145 
Hf       7.65665418       5.00384893       6.74587565       0.57915865      -0.86459789       0.97130753 
Hf       0.38259029       2.41222260       6.30173692      -0.83918386      -0.26447662       0.41560683 
Hf       8.12383183       2.79006694       4.19687332       0.68514857      -0.00064548       0.19989453 
Hf       6.41018265       2.36702316       1.10618603      -0.77009840       0.33439529       0.92802300 
Hf       5.46475347       7.61530233       6.35103223       0.19308979      -0.33896144       0.54233477 
Hf       7.27903074       7.96923350       9.41641689      -0.21590158       0.16165095      -0.68537637 
Hf      -0.17048443       0.27303608       8.96484007       1.10895996      -1.34178113       0.64246252 
Hf       2.61484802       4.98950980       6.84646789      -0.53808284       0.89429663      -0.69717060 
Hf       8.64147753       4.99766587       1.50313733      -0.67205449      -0.95918359       0.94110594 
Hf       2.11139666       8.03236141       9.38276367      -0.42559045       0.29117910      -0.00971762 
O       8.98417281       3.51595396       6.08188848      -0.20644345       0.23140622      -0.07164469 
O       3.84226680       1.70216915       9.78909179      -0.51244373      -0.15997665      -0.27207239 
O       6.24222943       3.76906093       7.71373190      -1.25705492       0.44804950       0.56057070 
O       8.41607064       4.23218694       8.70604171       1.14114431       0.77821153      -0.30881513 
O       4.26398888       0.87711195       7.11221680      -0.41899290       0.50617681       0.33452642 
O       6.64101898       3.87083533       5.22633451      -0.57043447       1.18434556      -1.10838026 
O       6.59446032       1.26496858       8.00558558      -0.11713653       0.17261588       0.33360537 
O       9.31676558       9.56521030       3.49133092       0.32950940      -0.34363011      -0.34552484 
O       5.68298736       3.97069719      10.35609734      -0.01703768      -0.44076667       0.67674455 
O       6.62979140       6.43693270       8.03463976      -0.01632738       0.36238048      -0.24136657 
O       6.21375257       8.99350123       7.75950920      -0.23630761       0.02486462      -0.13395057 
O       3.82138633       6.85288667       9.77475933      -0.46518113       0.20183174       0.09051782 
O       9.02549281       8.69267694       6.13221242      -1.31803875       0.27064019      -0.96198618 
O       8.39843379       9.57809063       8.78052960       0.23418932      -0.50718990      -0.61846738 
O       4.30108184       6.10578640       7.24058394      -0.51355468       0.64999742      -1.33590172 
O       6.99014006       1.23323828       5.36413400       0.14966808      -0.07576593       0.49759516 
O       6.66273973       9.08462631       5.19179851       0.14699937      -0.03976252      -0.63472466 
O       7.57888872       6.46947510       2.69528062      -0.21148427       0.78373757       0.76672908 
O       7.04402277       9.01803283       2.44353403       0.17169465       0.33343597       0.70006703 
O       4.64996020       6.79251074       4.64443524      -0.09734189       0.06755022      -1.07098494 
O       9.81069916       8.66191636       0.84348281      -0.19845284      -0.05297400      -0.01530285 
O       7.94894188       1.27264514       0.13767821      -0.03437869      -0.48588729       0.69682649 
O       5.18473039       6.10399376       1.87075694      -0.18872232       0.41970665       0.22263631 
O       7.98085446       6.53428270       0.16378645       0.06083979      -0.78729207      -0.24801130 
O       7.39273492       1.31396568       2.83857549       1.35219352      -0.00851270      -1.16821646 
O       0.55824245       9.18137731      10.29179838       0.00112153      -0.41918145       0.58718524 
O       4.54583365       1.55415918       4.58728518       0.72398821       0.26157636      -0.53573240 
O       1.92585327       1.24601430       5.34318460      -0.09525538       0.23570251       0.26877928 
O       1.57413038       1.35660818       8.10135543      -0.61205929      -0.88087250      -1.05361004 
O       1.05847975       3.80107676       7.81855189      -0.43368543       0.64266699      -0.84752051 
O      -1.38957760       1.56032416       9.79301418      -0.37163618       1.54048086       0.14282341 
O       3.83216794       3.62374569       6.00943433       0.00993027      -0.43492966       0.00353760 
O       3.35557161       4.27334176       8.66554914      -0.70575770      -0.99043472       0.22646714 
O      -0.78895899       0.89390246       7.12693936      -0.27688391       0.24407729      -0.52889855 
O       1.51853767       3.99980009       5.13824930      -0.36679928      -0.59490492       0.21770355 
O       2.80336508       1.25294358       0.23406298      -0.19294490       1.40189157      -1.49053855 
O       2.30285952       1.31936656       2.75277185       0.76811313       0.74401291       0.34353238 
O       1.92311828       3.85251007       2.46246060       0.44730192       0.31166444       0.37467338 
O      -0.42205054       1.66317655       4.58001205       0.08469337      -0.35046991      -1.25762229 
O       4.67827411       3.56632539       0.82398112       0.26392099      -0.56262275      -0.75596886 
O       4.33955852       4.30013428       3.45064903      -1.16072468      -0.32106615      -0.54723560 
O       0.08478850       0.82267667       1.85714965      -0.98922889      -0.10492311       0.05178095 
O       0.47620690       3.93432502      10.35563395       0.36694933       0.02585359       0.16098707 
O       0.05629109       5.99611995       1.76537170       0.41417565       0.55998492       0.23423617 
O       4.31864426       9.32957742       3.30134205       0.05341506       0.16927983       0.20409807 
O       4.70420601       8.80107172       0.71309200       0.58072949      -0.43113898      -0.38719086 
O       9.73420735       3.39094946       0.82461924      -0.02714555       0.33395198      -0.04823846 
O       9.39438844       4.21109506       3.43176824       0.20833353       0.58925572      -0.38323480 
O       5.11777549       1.02778069       2.00639089      -0.16547108      -0.11006142      -0.95882767 
O       7.08017654       6.52687151       5.30586983      -0.18522467      -0.77038527       0.69541657 
O       1.89739395       6.48284108       5.29778805       0.78494298      -0.23067737       0.78414739 
O       1.51751914       6.42958957       8.00290184      -0.22515129       0.60260770      -0.51760143 
O       0.92404604       9.00133926       7.75089358       0.88747560       0.27989291      -0.36570895 
O       7.00040993       3.85785297       2.56614569       0.34720667      -0.02607804      -0.52161286 
O      -1.28538165       6.85867354       9.65556268      -0.38077565       0.46165515       0.58641173 
O       3.37518891       9.38208010       8.50399050      -0.08705682       0.08892020       0.51107122 
O      -0.89920695       6.11302969       7.08834645      -0.04286840      -0.54097600       0.10708703 
O       1.39638923       9.03746403       5.11094652       0.67100430       0.92577073      -0.37111223 
O       2.83536563       6.55169434       0.02242074      -0.09511444      -1.31210069       1.19028956 
O       2.29833197       6.60340643       2.69070499       0.55034167      -0.59421830       0.29926694 
O       1.98948762       9.05470413       2.42251732      -0.80688974       0.32622832       0.75507354 
O      -0.42570868       6.75008030       4.52431380      -1.06731848       1.17442590      -0.58322821 
O       3.90906064       8.90016719       5.93777477      -0.75152692      -0.67350739      -0.30579213 
O       5.69988379       9.07814796      10.30188261      -0.08759057       0.53901447       0.73572309 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.003433664839805906 0.0024012726812097547 0.0001803338322685878 0.0024012726812097547 -0.004319735003088619 0.0008451782796105573 0.0001803338322685878 0.0008451782796105573 0.009384900369156604" pbc="T T T" energy=-973.25084062 free_energy=-973.25084062 config_type=crystal 
Hf       0.79971884       0.25864178       3.67251642      -0.30750447      -0.19644090       0.13469429 
Hf      -0.03964697       5.43138475       8.96315389      -0.91875398       1.04702370      -1.04894127 
Hf       0.38445644       7.61578672       6.27496462       0.47781741      -0.95246568       0.29195585 
Hf       5.93803679       5.31295554       3.77678408      -0.07499740       0.75255228      -0.52846634 
Hf       8.58163955      10.17049716       1.53711345       0.71678886       0.27923266       0.04713035 
Hf       8.18630497       8.07120656       4.13977586      -0.12658713      -0.13045485       0.38815568 
Hf       6.30647464       7.51954869       1.20032461       0.53393597      -0.15526527      -1.03892592 
Hf       1.25287271       7.53205424       1.06889551      -0.08658684       1.76084049      -0.49104174 
Hf       3.02447361       7.95046884       4.07531487       0.30212613       1.46086285       0.61484404 
Hf       3.48105681      10.17787697       1.43158708      -0.94126872       0.30909449       1.89877828 
Hf       0.80986985       5.45394915       3.65244213      -0.03578866      -0.89110472       1.10120186 
Hf       5.51453570       2.38185634       6.41966888      -1.02696627      -0.33396796      -0.68006496 
Hf       2.55866637      10.15639421       6.76623723       0.38977544      -0.07953969      -0.67636543 
Hf       5.91414386       0.26547953       3.73531968       0.16005849      -0.20701928      -0.22359191 
Hf       5.04584363       5.37681481       9.06435559      -0.81964727       1.43295440      -0.84247629 
Hf       7.72696245      10.14042941       6.78837918      -0.60547905      -0.14602229      -0.23419706 
Hf       7.23505572       2.81277077       9.37654281       1.33269284       0.07900376       0.83339448 
Hf       2.06340399       2.83342076       9.43111698       0.48091011      -0.06111309      -0.68177356 
Hf       3.41015414       4.90302753       1.52594576       1.21364630       0.86658606       0.39915453 
Hf       3.03284924       2.75838911       4.18555705      -0.04822143       0.69567419       0.01193109 
Hf       1.22902664       2.40139477       1.04217099      -0.91659110      -0.57435638       0.66337645 
Hf       4.98904993       0.24623254       8.98591380       0.49103270      -0.82016793      -0.48492492 
Hf       7.68911413       5.02329364       6.83300236       0.98109358       0.17697092      -0.16928440 
Hf       0.33114811       2.40556731       6.36270405       0.01062592      -0.02554730      -0.98308728 
Hf       8.12926588       2.82934465       4.20492086       0.59173860      -0.56522314      -0.40109879 
Hf       6.36105834       2.33583897       1.03859481       0.43804742       0.84007616       1.69233555 
Hf       5.44625594       7.58230711       6.33987735       0.35111948      -0.29524600      -0.07235887 
Hf       7.21019329       8.03226893       9.46015792       0.42286128      -0.13955195      -0.27802989 
Hf      -0.11028776       0.20143115       8.89917813      -0.19187455      -0.12455237       0.49264695 
Hf       2.61470702       4.94972598       6.77246460      -0.46128436       0.98096781      -0.39423031 
Hf       8.58311508       5.03028714       1.59187904       0.34623871      -0.94052781      -0.27111260 
Hf       2.15351116       8.06600217       9.43506814      -0.00458721      -1.59775004      -1.24422211 
O       8.88529716       3.45824335       6.12052842      -0.32531760       0.49321759      -0.17237157 
O       3.87050769       1.90948214       9.63296804       0.52454850      -1.22651380      -0.24417473 
O       6.14129474       3.85642981       7.82826073      -0.04722052       0.14849601       0.23282046 
O       8.51064737       4.38674186       8.65820303      -0.70542516      -0.53351751       0.41786118 
O       4.33990544       0.74390390       6.98705697      -0.20819504       0.56404771       0.28766129 
O       6.52497870       3.86317446       5.22635289       0.36014536       1.20135841      -0.08736347 
O       6.53814973       1.28364836       8.01942651       0.69724656       0.85028024       0.04941558 
O       9.25101787       9.69823839       3.55404042       0.73791881      -0.45069971      -0.20634522 
O       5.64616359       3.91346723      10.47128204       0.24365694       0.66298576      -0.42604023 
O       6.54426309       6.61159502       8.04117049       0.30594636      -1.08588450      -0.03658924 
O       6.08910007       9.06388406       7.74857946       0.11798429       0.14128038      -0.01462202 
O       3.81393262       6.92590187       9.68207949       0.61112524       0.05541009       0.66972287 
O       8.93953331       8.61486661       6.10899710      -0.83801996       0.74552960      -0.38091708 
O       8.41977725       9.48467585       8.65154934       0.51268969       0.32099861       0.41343657 
O       4.29640667       6.05766510       7.00473156       0.81359727      -0.23503967       0.23539700 
O       6.98867554       1.34074646       5.41917030       1.24286484      -1.03632329       0.00556971 
O       6.62806292       9.19630910       5.11140876      -0.02820269      -0.37623937       0.19757351 
O       7.53872415       6.55595499       2.77824564      -0.36209699      -0.54743836      -0.10421980 
O       7.12942154       9.05216089       2.46354290      -1.30152929      -0.53555490       0.46098920 
O       4.74760242       6.94072466       4.30349658       0.77176008      -0.39835750       0.32933518 
O       9.72521556       8.61396920       0.90311364       0.52668723       0.00263956      -0.32288577 
O       8.04655587       1.26285717       0.11972536      -1.14540301       0.20130020      -0.35447179 
O       5.26854617       5.83361802       1.70664319       0.02227258       0.85424709       0.50886206 
O       7.92321514       6.54444638       0.18387417       0.04769281      -1.15939841       0.02752880 
O       7.56610958       1.35563617       2.75408799      -0.77316399      -0.25266575      -0.15585908 
O       0.54004109       9.04191170      10.32237566      -0.05864058       1.37926791       0.10603321 
O       4.83605930       1.82192675       4.38291828      -0.67428790      -0.38414240       0.52903466 
O       1.83892618       1.25127885       5.36513828       0.80689561      -0.34353744      -0.11601273 
O       1.55772637       1.25614452       7.99793097      -0.57909752       0.95739819       0.14190609 
O       1.04773838       3.82149836       7.75468271      -0.41899717       0.21071761       0.70205477 
O      -1.26290956       1.77710468       9.58274280      -0.33933987      -0.11097143       0.33089815 
O       3.73114715       3.42526590       6.14081618       0.65408265      -0.91400667      -0.29783095 
O       3.29522078       4.43755061       8.70992335      -0.48741526      -1.10341670       0.80414882 
O      -0.87246959       0.89058401       7.09213591       0.15661631      -0.01874676      -0.46870580 
O       1.43210757       3.89436291       5.11621204      -0.10795993       0.27853774       0.29519672 
O       2.75652251       1.30292090       0.06471479       0.62336421      -0.82893800      -0.17574846 
O       2.45961733       1.38575712       2.67501386      -0.57076870      -0.28416927       0.29705288 
O       1.96232029       3.87962614       2.60556205      -0.63767657      -0.08901949      -0.97034451 
O      -0.38991394       1.81165522       4.38801967       0.12397103      -0.23198570       0.44234580 
O       4.54729164       3.36024448       0.88518431      -0.02152446      -0.06393119      -0.65873650 
O       4.30002000       4.23511929       3.49465037      -1.10562190       0.33663598      -0.39052823 
O       0.07965892       0.82337137       1.78403754       0.38794847       0.51763766      -0.28392082 
O       0.40067638       3.92192670      10.39830014       1.21719604       0.45370384      -0.11023952 
O       0.12707282       6.08156621       1.77300951      -1.24346879      -1.34691649       0.56635978 
O       4.22754707       9.53370672       3.42573324      -0.20037931       0.03043473      -0.07330031 
O       4.64700689       8.66874736       0.87985169       0.20390571      -0.61061047      -0.47362722 
O       9.79297689       3.46156918       0.75178319      -0.31144960       0.55668438       0.34483542 
O       9.37598824       4.30128739       3.39267772       0.09976787       0.67153421       0.21791919 
O       5.20140116       0.84286616       1.80666336       0.36607855       0.14699267      -0.71844846 
O       7.05703962       6.43850995       5.36940404      -0.11343584      -0.00149913       0.19522622 
O       1.95334866       6.38396474       5.25685656      -0.10245353       0.45420766      -0.30425174 
O       1.68274412       6.58894386       7.86380101      -1.64993221       0.11128073       0.96605515 
O       1.00024717       9.08202291       7.69475388      -0.28352395      -0.20306882       0.33566574 
O       7.03102998       3.80312479       2.57996278       0.00892167       0.60062455      -0.29720515 
O      -1.29295297       6.91254940       9.72222438      -0.29240035      -0.10718469      -0.55349744 
O       3.24876196       9.59828666       8.76221795       0.25599289       0.23058278      -0.16550211 
O      -0.82408580       6.11997352       7.03307725       0.21123745      -0.39168932       0.38827438 
O       1.43439648       9.11299586       5.06134417       0.25141056       0.09801361       0.16147257 
O       2.78266396       6.45229247       0.08485470       0.90311967      -0.88999753      -0.25240569 
O       2.45925735       6.61313850       2.61254683      -0.32795579      -1.18035469       0.43609722 
O       1.90800250       9.08566357       2.45721398      -0.01869468       0.08106029      -0.07969592 
O      -0.38094892       6.98272525       4.35972112       0.28055165      -0.19626506      -0.08044499 
O       3.76074511       8.59245329       6.06208973      -0.90737562       0.59084298      -0.09842097 
O       5.66591867       9.12814460      10.35519177      -0.48868791       0.68602623       0.15844672 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011769905068633492 -0.0009804090383091926 -0.0007831526460381615 -0.0009804090383091926 -0.006591306709198487 -0.0014457370928577216 -0.0007831526460381615 -0.0014457370928577216 -0.009822389008611354" pbc="T T T" energy=-972.39757958 free_energy=-972.39757958 config_type=crystal 
Hf       0.81903959       0.24731999       3.70420109      -1.00397964      -0.33450337      -0.65766711 
Hf      -0.11151433       5.41976715       9.02175125       0.00319301       0.05669743      -0.72407153 
Hf       0.27526079       7.62112006       6.31690932       0.51476332      -0.26969504       1.15740201 
Hf       5.95398974       5.41394142       3.73432244       0.49099370      -0.41709722       1.23024747 
Hf       8.64505653      10.13750018       1.42090914      -0.36976858       1.15396707       1.56336095 
Hf       8.13708404       8.02058484       4.11452689       0.47992667       0.71383023       0.29151366 
Hf       6.30775312       7.52668215       1.13637038       1.25343172       0.45864028      -0.70918099 
Hf       1.17487706       7.49422609       1.06153019       1.08905473       0.90685841       0.69903938 
Hf       3.12684844       8.04041035       4.23215655      -1.92236329      -0.10251810      -0.97397425 
Hf       3.46317221      10.05148869       1.43650587      -0.45020437       1.09388943       1.39775025 
Hf       0.74544636       5.42333580       3.74133946       0.31052891      -0.27906992       0.12477162 
Hf       5.49043912       2.38309258       6.39310167       0.22704455       0.83900563      -1.44292645 
Hf       2.55210934      10.21521564       6.81477534      -1.03251981      -0.52969655      -0.42598426 
Hf       5.95433105       0.20291935       3.68408302       0.39930206       1.05886861      -0.60562480 
Hf       4.96075255       5.34512535       8.97583597       0.56348376       1.11547707      -0.51166429 
Hf       7.74479141      10.19931963       6.73584507       0.27736781       0.81705838       0.04596734 
Hf       7.23682737       2.81911665       9.35251243       1.59422722       0.29171439       0.69443840 
Hf       2.07534802       2.79056703       9.49653499       1.19902472      -0.22094093      -0.63041556 
Hf       3.44910177       4.99587635       1.64886130      -0.18244231       0.27879925      -1.33980753 
Hf       3.10487218       2.82030073       4.14721836      -1.20325699      -0.18144250       0.31551355 
Hf       1.26787935       2.46913420       1.12098051      -1.13411313      -1.39939548      -0.03986533 
Hf       5.08827750       0.25811011       8.93946856      -1.31116660      -0.45849795       0.47226549 
Hf       7.75895430       4.93053345       6.75220981       0.61755922       0.80194014       0.68455777 
Hf       0.34154894       2.42038480       6.37640007       0.28393374      -0.66084730      -0.90624698 
Hf       8.17633109       2.79767845       4.12395180       0.45702117      -0.03996914       0.07044666 
Hf       6.37203013       2.40349756       1.12305889      -0.40246714      -0.25873921      -0.59922100 
Hf       5.49088932       7.54712890       6.41201280       0.09739612       0.43486272      -0.32682473 
Hf       7.17914792       7.94810224       9.39147181       1.38928336       1.63193232       0.52903218 
Hf      -0.18842916       0.22669401       9.00030989       0.88579994       0.03905735      -0.60071723 
Hf       2.51966824       4.97823238       6.78978920       0.90967846       0.11526663      -0.06225028 
Hf       8.58746555       4.98184779       1.44193614       1.20145302      -0.58073584       0.98178482 
Hf       2.15726550       8.04418432       9.39294378      -1.14950202      -0.99645808      -1.13356415 
O       8.97199672       3.55639455       5.98077519       0.36394848      -0.01883809       0.17576025 
O       3.85118536       1.71563559       9.78266900      -0.23313222       0.02877422      -0.75271807 
O       6.21408722       3.94783802       7.74451689      -0.94108343      -0.64635100       0.16796636 
O       8.48307961       4.28887962       8.74728916       0.30730606       0.31933060      -1.27207141 
O       4.26303029       0.89761283       7.01690446       0.10971290       0.11636642       0.57594756 
O       6.65763783       3.92112436       5.21885788      -0.65224789       0.25900901      -1.26323781 
O       6.57363162       1.39627501       8.00135500       0.02175172      -0.13196517      -0.75649510 
O       9.33907017       9.49020920       3.36114267       0.07111547      -0.00008901       0.08272836 
O       5.81164996       3.94276340      10.33245118      -1.56094927      -0.01934769       0.62823933 
O       6.50912105       6.68295494       8.04674882      -0.03141112      -1.48310176      -0.91827509 
O       6.19607727       9.19730438       7.62196928      -1.14104222      -0.82315340       1.06694201 
O       3.81876634       6.89686515       9.65567325       0.38852221      -0.31678073       0.85982477 
O       8.81137987       8.69743829       6.05851774       1.32356323      -0.49533760      -0.15442541 
O       8.45926105       9.50442728       8.72092450      -0.77068511      -0.27736161      -0.37632783 
O       4.23899490       6.13571773       7.11134295       0.12142794      -0.57034813       0.16716762 
O       7.09816063       1.35220208       5.37810986      -0.36170829      -0.39296172      -0.02983590 
O       6.68319853       9.24745294       5.06415980      -0.87945005      -0.79128785      -0.04822958 
O       7.45762056       6.49796103       2.82337642       0.70313313       0.81033083      -1.09092895 
O       7.03273223       9.06927163       2.43918889      -0.23696263      -0.52654488      -0.13183216 
O       4.76123982       6.91944866       4.54884600       0.71715869      -0.66235915      -0.39545672 
O       9.86083101       8.73732466       0.81330077      -0.42324389      -0.82296019      -0.91480197 
O       7.95472923       1.27064106       0.00788940       0.28473165      -0.42039921       0.77595875 
O       5.16929644       6.08378776       1.89130984      -0.22196347       0.18284407       0.16125381 
O       7.98807555       6.45160671       0.07622459      -0.62805303       0.15872037       0.99940016 
O       7.54141887       1.33302460       2.64659771      -0.51387896       0.68045209       0.62103518 
O       0.55610899       9.09492080      10.29370969       0.05151639       0.42116178       0.86243408 
O       4.74494335       1.71240431       4.40534396       0.66826585      -0.53748390       0.58350683 
O       1.82562255       1.22563716       5.32759995       1.07843503       0.04060245       1.14317819 
O       1.42949814       1.35836279       8.01422032       0.41205934      -0.18912205      -0.01069245 
O       1.07056271       3.85962534       7.76870110      -0.77566093       0.15336621       0.57356597 
O      -1.25365908       1.75294475       9.67321426      -0.39242197       0.30064085       0.64235571 
O       3.88785806       3.61384893       5.97767867      -0.52329769      -0.35122792       0.38319543 
O       3.38895802       4.21463119       8.68456664      -0.68355723      -0.18770570      -0.40141474 
O      -0.90877415       1.02636106       7.10353807      -0.28847419      -0.87984128       0.24855724 
O       1.45960249       3.85266208       5.12278929       0.13667990       0.92529013       0.18503802 
O       2.84309820       1.23643185       0.17644049      -0.30029272       0.02422396      -0.21964712 
O       2.34166987       1.35056062       2.77112257       0.41135731      -0.02083191      -0.42983113 
O       1.91621850       3.88780881       2.55005312       0.07098391      -0.16925387       0.22744030 
O      -0.39688466       1.71342900       4.43519218      -0.65517713       0.16290954       0.35650168 
O       4.70549493       3.66218573       0.78546067       1.11110588      -1.30762254      -0.05171001 
O       4.34703976       4.22452909       3.40794578      -0.68458694       0.30679644      -0.27088167 
O      -0.04110287       0.98649184       1.84555921       0.57842166       0.00044730      -0.49945134 
O       0.63328526       3.86733650      10.48416353      -1.02333927       0.91730242      -0.54810374 
O       0.09492419       6.00557450       1.83297772      -1.08190739       0.21249599       0.02109369 
O       4.32762201       9.46199321       3.39870967      -0.81000817      -0.27822851      -0.07519778 
O       4.59591656       8.50492471       0.83262037      -0.20617818       0.81167416       0.10420066 
O       9.85980160       3.58730131       0.67001272       0.20528729      -0.31093098       1.06041416 
O       9.40646942       4.22825910       3.33111384      -0.00048173       0.44569093       0.14879462 
O       5.16416278       0.90984595       1.73179965      -0.16933820      -0.53621133       0.65457684 
O       7.22344629       6.45300981       5.42151151      -1.59354010       0.37342364      -0.12970179 
O       1.90637642       6.43413179       5.45666001      -0.19433758       0.06539449      -0.90350189 
O       1.42520764       6.55698446       8.04256812       0.35529679      -0.36293591      -0.30070423 
O       0.95756768       9.06145366       7.72717401       0.12485299       0.41121786      -0.45033286 
O       7.02240288       4.00075496       2.52269500       0.12037663      -1.46644348      -0.60547882 
O      -1.33634976       6.84946306       9.72615622      -1.43261671       0.70300684      -0.09230291 
O       3.24681123       9.55958957       8.67973994       0.99397853       0.55838730       0.24865917 
O      -0.92047845       6.15563145       7.17099603       0.48770261      -0.09198300      -0.18785395 
O       1.38762570       9.07811814       4.99890087       0.68752715       0.04882779       1.28105322 
O       2.69044193       6.45503509       0.08117519       1.23277303      -0.70807656       0.75918237 
O       2.35194382       6.50113995       2.70272984       0.33583085       0.23801365       1.41960015 
O       1.92498946       8.97794551       2.50767790       0.54290445       0.72974475      -0.73049468 
O      -0.41775787       6.95121575       4.50912439      -0.05167789      -0.82380745      -1.04354170 
O       3.72027442       8.60951467       6.14819211       0.01778421       0.79647652      -0.34700073 
O       5.52384357       9.06847833      10.33585589       1.29688402       0.34348939      -0.46255566 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010635687026497398 -0.0025040874382480567 -0.0001279324185230303 -0.0025040874382480567 -0.0032696945342918842 0.0009490629186941636 -0.0001279324185230303 0.0009490629186941636 -0.0022720172312727833" pbc="T T T" energy=-973.36786712 free_energy=-973.36786712 config_type=crystal 
Hf       0.82447393       0.18696027       3.71607967       0.06103442       0.44191990      -0.01718470 
Hf      -0.07861525       5.40819912       8.93703379      -0.45903807       0.21438314      -0.21019473 
Hf       0.25832003       7.54840950       6.24321558       0.58182770      -0.09611380       0.46751910 
Hf       6.01887429       5.44091483       3.68035805      -0.94997320      -0.56755844       0.63775101 
Hf       8.63206553      10.19678627       1.52027145      -0.44945259      -0.65385659       0.04940465 
Hf       8.08543632       8.08360167       4.10152727       0.19269007      -0.38442866      -0.33277810 
Hf       6.30948787       7.56473058       1.05125368       0.11056347       0.40691782      -0.07640064 
Hf       1.24197447       7.56025101       1.03140474      -0.38409073       0.11577644       0.90411400 
Hf       3.09030543       7.98154798       4.17387473      -1.23234746       0.40914536       0.58105745 
Hf       3.39515042      10.15224941       1.62438213      -0.08402246       0.42248979      -1.37043147 
Hf       0.85428307       5.43562409       3.71363545      -0.58313284       0.04542534      -0.03221186 
Hf       5.52379634       2.30721423       6.36754251      -0.64325207       0.89273282      -0.11077703 
Hf       2.48028709      10.12634952       6.84002725       0.66371072       0.34713914      -0.53821822 
Hf       5.84925016       0.24783265       3.64096804       0.99687128      -0.95903462       0.94691746 
Hf       5.10153820       5.44299944       8.91955399      -0.41323866       0.02035284       1.25820214 
Hf       7.74455515      10.16440990       6.83406334      -0.39605889       0.48962659      -0.62603207 
Hf       7.30780393       2.85901434       9.40319781      -1.12823182      -0.49338289       0.00126692 
Hf       2.04443815       2.85271533       9.47773411       1.05924272      -0.63990709      -1.08267394 
Hf       3.48248747       4.96909360       1.57627086      -0.24950779       0.23678807       0.45674975 
Hf       3.00799673       2.83235388       4.23959075       0.42534437       0.11750557      -0.64143352 
Hf       1.21609714       2.42421030       1.06006137       0.40998178      -0.44989259       0.94387970 
Hf       4.95593273       0.22051033       8.95966066       0.54378231       0.12015107       0.19665588 
Hf       7.75350512       4.96917558       6.76167409      -1.38760096       0.14276930      -0.01576309 
Hf       0.32241361       2.35640729       6.30067405       0.80400822       0.02559757       0.87975804 
Hf       8.18028193       2.80735244       4.14920077       0.00327787       0.18955568      -0.06901233 
Hf       6.40432383       2.36839883       1.03207941      -0.27932647       0.35012741       0.56968978 
Hf       5.50745326       7.58549631       6.33610365       0.09013753       1.15529750      -0.05068298 
Hf       7.26111913       8.01733174       9.43489141      -0.86768089       0.41701436       0.27301473 
Hf      -0.15976050       0.18560974       8.98467127       1.28304433       1.04234130       0.76916996 
Hf       2.65170567       4.99133714       6.88020585      -0.26831503      -0.12516187      -0.97269840 
Hf       8.63183007       4.95206806       1.54448297       0.33770567       0.91405361      -0.04542613 
Hf       2.04732844       7.96792807       9.43789458       0.41619063       0.34722749      -0.58732103 
O       8.93607027       3.51661582       6.04656073       0.17363164      -0.83356293      -0.30713504 
O       3.80327716       1.75835394       9.71687706       0.17827469      -0.57437572       0.12412809 
O       6.16973206       3.93754393       7.75601072      -0.16379819      -0.44320603      -0.23362416 
O       8.45171071       4.32829717       8.69997447       0.56514477       0.53158976      -0.11130813 
O       4.23900337       0.93011087       7.09951099      -0.44070359      -0.61483456       0.13168213 
O       6.57778609       3.96378348       5.10933447       0.58988066      -0.71845084       0.17336847 
O       6.50029659       1.40639422       8.05170751       0.85359571      -0.15347619      -0.30982206 
O       9.38489670       9.53423756       3.44433986      -1.01032245      -0.29838884      -0.36246289 
O       5.75711406       3.92991839      10.42512126      -0.67782468       0.46887836      -0.37761458 
O       6.61616783       6.59447264       8.01514332       0.36752002      -0.00379184      -0.36503102 
O       6.19676491       9.13260235       7.73653235      -0.65078699      -0.75464514       0.18240784 
O       3.77468944       6.94392113       9.63598014       0.35423180      -0.35297311       0.54103473 
O       8.84527279       8.71360372       6.00408345       0.03372444      -0.33783180       0.35104348 
O       8.36968578       9.67764306       8.83527934      -0.53342516      -0.76190922      -0.40950645 
O       4.31240165       6.18769030       7.11956795      -0.66753708      -0.85408478      -0.32348749 
O       7.11488295       1.18679283       5.41038404      -0.08426186       0.48545654      -0.07446847 
O       6.44114050       9.02050301       5.04841648       0.77356583       1.06013405      -0.23527205 
O       7.55005369       6.50585184       2.70538754      -0.14454128       0.69185818       0.38494005 
O       6.96968200       9.05136728       2.37107527       0.54874335       0.05188397       1.45785888 
O       4.74098659       6.96145663       4.36169197       0.95738352      -0.89814794       0.53676389 
O       9.72641165       8.54501608       0.87023557       0.28543297       0.69090971       0.08405928 
O       7.97952569       1.29122756       0.14181880      -0.22728407      -0.34799388      -0.15697469 
O       5.21853569       6.04528299       1.83378784      -0.37680642      -0.13321077      -0.10808541 
O       7.86077775       6.50092279       0.11674099       0.73842126      -0.75567154      -0.34703226 
O       7.45793886       1.26871574       2.72966731       0.65621923       1.10993999       0.14894828 
O       0.44593322       9.14606204      10.43635143      -0.02349902      -0.20224350      -0.21214481 
O       4.77080937       1.67928379       4.46789164      -0.50088458       0.56725774       0.30254195 
O       1.93249542       1.25334060       5.38586727       0.06123072       0.25333432      -0.00777699 
O       1.40306386       1.35856862       8.03759777       0.57006946      -0.00057263      -0.26220326 
O       1.06309645       3.92678052       7.75041128      -0.63500492      -0.72653508       0.61613147 
O      -1.24342512       1.85048957       9.62493761       0.26951049      -0.56931087       0.23013756 
O       3.79142088       3.44441137       6.07515225       0.15226773       0.39422833       0.34298883 
O       3.42919436       4.28498325       8.70612792      -0.76924073      -0.03852434      -0.26097553 
O      -0.78430411       0.80463902       7.09116576      -0.59751998       0.40818680      -0.59840232 
O       1.50882629       4.03667992       5.15594625      -0.32063581      -0.99565088       0.19032728 
O       2.77738323       1.20565195       0.12544093       0.12060459       0.66069502      -0.04949783 
O       2.38861414       1.41576076       2.70770439      -0.23552005      -0.52933960       0.54312173 
O       1.86420901       3.93828071       2.51453059       0.07843461      -0.77583237      -0.05003274 
O      -0.35964325       1.67082952       4.46404265      -0.82606996       0.77902973       0.09142572 
O       4.67913848       3.57663838       0.77603188       0.60763031      -0.85911948       0.12826302 
O       4.22799965       4.26136102       3.45723615       0.43847838       0.49866504      -0.47191536 
O       0.05214286       0.91156742       1.84730598       0.00176494      -0.34474852      -0.54129686 
O       0.55404682       3.93706609      10.43829435      -0.44478960       0.25459787      -0.36912353 
O       0.13639707       6.02480153       1.75774271      -0.50360376      -0.25103039       0.06416727 
O       4.17794630       9.53300849       3.40808890       0.06826804      -0.05357662       0.50775297 
O       4.43794071       8.55144238       0.90683840       0.98329343      -0.12539897      -0.54131528 
O       9.73503976       3.39984906       0.84239537       0.69238136       0.15960948       0.05058323 
O       9.41610491       4.30089610       3.43825393      -0.08490043      -0.34611896       0.06056698 
O       5.16566023       0.86863752       1.80149781      -0.32592832       0.27382496      -0.52809198 
O       7.03930716       6.47541731       5.38815367       0.16663039      -0.28876019      -0.34771860 
O       1.92209802       6.47542916       5.39147994      -0.28491055       0.61671674      -0.31904282 
O       1.46173952       6.52199628       7.96993841      -0.05235264      -0.13715277      -0.11211335 
O       0.94892710       8.96353947       7.77123321      -0.24593527       0.66038040       0.46265690 
O       7.14182205       3.90715617       2.56871571      -0.91245488      -1.10032467      -0.57565398 
O      -1.32388520       6.97789106       9.63013414       0.44941336      -0.42022535      -0.05037558 
O       3.36296446       9.39875049       8.62787819      -0.70618596       0.45751260       0.41194345 
O      -0.90016662       6.03030662       7.09518002       1.05876080       1.15531568      -0.37594183 
O       1.27958037       9.19954183       5.17688232       0.86095024      -0.93268833       0.56574113 
O       0.94950170       6.44339193      10.47989809       0.47685278      -0.34800239       1.38913170 
O       2.42879520       6.50126359       2.77865737       0.10886475       0.16893508      -0.59254396 
O       1.90927026       8.94903794       2.63607958      -0.62779140       0.77030700      -1.01129423 
O      -0.53163005       6.87764549       4.40767834       0.85133408       0.00507190       0.37929601 
O       3.77120791       8.74401674       6.05552571      -0.32392318      -0.33233192      -0.40566940 
O       5.63783151       9.13063121      10.43889666       0.16529027       0.56246752      -1.20776302 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004152385475877243 0.001934813933592508 -0.00016823303779418128 0.001934813933592508 -0.0031916654466263954 0.0007603632234951159 -0.00016823303779418128 0.0007603632234951159 -0.01144085161525283" pbc="T T T" energy=-972.07730828 free_energy=-972.07730828 config_type=crystal 
Hf       0.75279985       0.25919766       3.68249218       0.00907421      -0.12641235       0.84304052 
Hf      -0.07969437       5.40100103       8.97164487       0.13193284      -0.31775478       0.74836892 
Hf       0.26719625       7.51736881       6.32943998      -0.09943909       0.50311631      -0.22251629 
Hf       5.86765569       5.45282034       3.77916362       0.58104608      -1.59121381      -1.08775519 
Hf       8.60407823      10.14768911       1.52443189       0.01447757       1.46123277      -0.93721629 
Hf       8.16094655       8.04573018       4.07346278       0.28166544      -0.21425106       0.74347365 
Hf       6.37225396       7.62650327       1.12326439      -1.73911448      -0.20440207      -1.26603392 
Hf       1.21629745       7.62714550       1.08221319      -0.03932905      -0.89816048       0.51032985 
Hf       3.02628161       8.06852171       4.21158096      -1.01953283      -0.86322902       0.26371926 
Hf       3.48273965      10.19744948       1.59271415      -0.50171654      -0.47384814      -1.12148575 
Hf       0.82993915       5.40930028       3.70886031      -0.98956735       0.08927232       0.16299915 
Hf       5.53767080       2.26006099       6.27563435      -0.01223539       1.12053415      -0.03648801 
Hf       2.50978740      10.17511575       6.84852968      -0.23377117      -0.23603187      -0.44493736 
Hf       5.96454231       0.22480775       3.64903511       0.47069345      -0.75354729       0.54455425 
Hf       5.07400205       5.37002247       8.98185375      -1.53134267       0.72760849       0.19116632 
Hf       7.69703306      10.14433107       6.78042940       1.26704011      -0.03093322      -0.85274931 
Hf       7.29248335       2.78098520       9.39977031       0.00880705       0.11456407       0.68583200 
Hf       2.20168464       2.86987428       9.46465815      -2.08977069      -1.56090872      -1.53801123 
Hf       3.47153115       4.96028481       1.51055978      -1.15304775       1.11851548       0.78600780 
Hf       3.03435669       2.78119986       4.21203469      -0.57279761       0.48659493      -0.04451793 
Hf       1.24619450       2.38950568       1.08531758      -0.03413163       0.76400115      -0.14249391 
Hf       4.99429621       0.21076953       8.89413102      -0.13076800       0.28893024       1.03968969 
Hf       7.69302908       4.93792344       6.89452235       0.54758215      -1.01857595      -1.77057837 
Hf       0.32008184       2.37850869       6.32455133      -0.56417872      -0.11732354       0.83427875 
Hf       8.10627062       2.84233501       4.11613243       1.30678670       0.18329370       0.05641431 
Hf       6.38999698       2.44720184       1.11164885       0.79524143      -0.64290012      -0.41309279 
Hf       5.54166494       7.55865122       6.28901535      -0.36117228      -0.29531412       0.81407610 
Hf       7.26417226       8.06801591       9.39178787       0.71292979      -0.58429006       0.33410487 
Hf      -0.09754003       0.23451458       8.98728801       0.58298951      -0.50947115      -0.81695269 
Hf       2.60426244       4.96385492       6.76149327      -0.29164098      -0.50588455       0.38502391 
Hf       8.55599658       5.04632113       1.56593010       1.21678832      -1.00441168       0.30637667 
Hf       2.02956056       7.94049644       9.42848532       0.96526891       0.26131078      -0.02957085 
O       8.88171405       3.46971091       5.96272112      -0.28033099       0.26038580       1.41663303 
O       3.86623431       1.74335711       9.68673818       0.48499478      -0.22424155       0.19016442 
O       6.04756185       3.65127935       7.84973747       0.63973908       1.78904768      -0.19941057 
O       8.48192935       4.38314526       8.65877752      -1.26908493      -1.92312417       1.36979777 
O       4.26666426       0.90759396       7.09007947      -0.18514044      -0.16768755      -0.14280636 
O       6.58151931       3.86704516       5.03206802      -1.11781583      -0.42449304       1.11147574 
O       6.68819705       1.31541503       7.84134289      -0.17184728      -0.64533336       1.30109113 
O       9.31682768       9.49202833       3.32084773       1.16897203       0.50999938       0.69051347 
O       7.53114268       3.95855498       0.00077032      -0.57049819       0.38264076      -1.39347557 
O       6.64675095       6.44875883       7.99756586      -0.35350895       0.62488649       0.47810954 
O       6.15744858       9.05640491       7.76884884      -0.30993719      -0.56057316      -0.11972211 
O       3.77880741       6.89039376       9.67354104       0.63116551      -0.13628143      -0.00586564 
O       8.84600216       8.66659916       5.89025826       0.70819095      -0.29680231       1.55954718 
O       8.54224377       9.43163110       8.58950915      -0.74150926      -0.23493512       0.38470844 
O       4.30222027       6.09569348       7.09589417       0.26585829      -0.12780181      -0.04503516 
O       7.12371705       1.17126381       5.26646901      -0.38911398       0.18453352       0.39467394 
O       6.60159175       9.06901759       5.07382527      -0.83979000      -0.15658625       0.07383808 
O       7.35803264       6.68050076       2.72494362       0.22552074      -1.41070501       0.43097775 
O       7.01793587       9.14075053       2.46161593      -0.23027542      -0.41912606      -0.22765397 
O       4.67341711       6.82134983       4.53331627      -0.13959546       0.69120335      -0.12143476 
O       9.85168485       8.79004242       0.71891195      -0.18914634      -0.34452335       0.15947685 
O       7.94114552       1.28540900       0.19953233       0.30868130       0.25117727      -1.37843877 
O       5.15142827       6.04068310       1.69050662       0.28801634       0.28298737       1.23325475 
O       7.85709180       6.51467351       0.21249068       0.81643178      -0.29090576      -1.07517092 
O       7.53516820       1.31958216       2.74471738      -0.06390335       0.58416417      -0.27110828 
O       0.40491502       9.08249422      10.44180081       0.98393320       1.00398313      -0.44728163 
O       4.75901600       1.61026220       4.42149417      -0.87631875       0.51612859       0.13203979 
O       1.86423507       1.29296711       5.42888534       1.01402824      -0.72095895      -0.94173340 
O       1.42861209       1.34451461       7.97491915       0.56368988      -0.92699409       0.37409677 
O       0.98960410       3.72419626       7.82998997      -0.04132850       1.39972032      -0.47776509 
O      -1.23151907       1.74493685       9.59332193      -1.01186116       0.28083854       0.36377949 
O       3.89634905       3.50157504       5.97202285      -0.54970056      -0.07048982       0.33320934 
O       3.28781288       4.25789399       8.61444888       1.73737084       1.20171196      -0.00936041 
O      -0.78922839       0.69227109       7.00215198       0.06755019       1.14195402      -0.11957637 
O       1.42582008       3.93901572       5.18299681       0.65896034      -0.09066173       0.06140321 
O       2.82552700       1.28199630       0.09366480       0.26972085      -0.67284236       0.61147763 
O       2.46553522       1.34238439       2.71274782      -0.36733104       0.03043134       0.73796088 
O       1.67351347       3.86657167       2.56803432       1.50255161      -0.78801860      -0.62805094 
O      -0.35944185       1.82066475       4.43177424      -0.09660769      -1.11771027      -0.98468744 
O       4.70399165       3.61477783       0.71017830       0.62233481      -0.84689746       0.79646371 
O       4.13463499       4.31553561       3.46191343       0.19542359      -0.11388012      -0.88821763 
O       0.14450771       0.88971725       1.82051951      -1.00414287      -0.72697740       0.01997890 
O       0.47850218       3.88733470      10.39247778       0.71939368       0.59867625       0.50348060 
O       0.02034968       6.10346189       1.82829730      -0.27235305       0.16854004       0.05118977 
O       4.23059937       9.39386196       3.37558213       0.94827804       0.99538291       0.03722682 
O       4.55425877       8.64143917       0.82307492       0.43166658       0.07716305      -0.23774151 
O       9.75604926       3.40201201       0.76929680       0.22506733       0.65817384       0.39873531 
O       9.32202005       4.36208683       3.45914988      -0.24691226       0.24990634      -0.62760188 
O       5.25400946       0.89312527       1.77662066      -1.02323834      -0.26323181       0.20470029 
O       7.09691407       6.20376117       5.37056425      -0.75371004       2.39120337      -0.28279362 
O       1.84213692       6.44519132       5.42690934       0.39776119       0.18109146      -0.60271433 
O       1.53677837       6.40812685       8.00587718      -0.41484390       0.60732807       0.09965644 
O       0.99237193       8.97404665       7.77550359      -0.07811629      -0.25611018       0.28447651 
O       7.00327292       3.89591407       2.51881052      -0.19814562       0.10564133      -0.13569036 
O      -1.34817906       6.91429716       9.75945316      -0.19880712      -0.30082908      -0.63160381 
O       3.25993719       9.53263537       8.70029894       0.39592645      -0.02558627       0.24581023 
O      -0.82082534       5.97677842       7.17417530      -0.37355817       1.19930208      -1.62419059 
O       1.37060485       9.07131281       5.20215964       0.85959497       0.78483171      -0.29877253 
O       2.72498546       6.46152694       0.07161179       0.66527190      -0.33008267       0.54276706 
O       2.42630274       6.45402235       2.74835814      -0.19363009       0.90433834       0.25334378 
O       1.86327059       9.01552482       2.63412123       0.05001757       0.46019785      -0.55039205 
O      -0.48002565       6.93003212       4.43116447       0.88056170      -0.73260044      -0.02603531 
O       3.91874966       8.78141110       6.06520263      -1.05648573      -0.18134123      -0.49527820 
O       5.73251469       9.17384112      10.38701653      -0.62067867      -0.24339574      -0.31056940 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012928362348501449 0.0052679863196266165 -0.003801281188935946 0.0052679863196266165 -0.0025126611059833534 -0.003001661219846456 -0.003801281188935946 -0.003001661219846456 -0.01625084886521395" pbc="T T T" energy=-972.37971432 free_energy=-972.37971432 config_type=crystal 
Hf       0.83207203       0.22764192       3.69559481       0.61742562      -0.40082404       0.42891896 
Hf      -0.10881675       5.40048422       8.99505130       0.02349983       0.66422751      -0.20912107 
Hf       0.29888347       7.63512795       6.32945657       1.31853914      -0.52636410       0.08005014 
Hf       5.94997171       5.39221656       3.67122926      -0.20498980       0.14000882       0.19613619 
Hf       8.55823265      10.13983696       1.61045426       0.66013464       0.13526152       0.02228488 
Hf       8.15782708       8.02929710       4.22310924      -0.10153607      -0.36448445      -1.47161312 
Hf       6.41228723       7.59340146       1.10323211      -0.34514682       0.05540975       0.45975596 
Hf       1.24726026       7.57561691       1.05124875      -0.61155410      -0.67962828       0.96491980 
Hf       3.06589331       7.90466468       4.07785675      -0.89006884       0.46705573       1.13417439 
Hf       3.50259382      10.11593595       1.56366040      -0.40129460       0.76554343      -0.57069630 
Hf       0.72863753       5.37589860       3.74072003       0.85909931      -0.62091368      -0.61602844 
Hf       5.44214114       2.39553963       6.26505554      -0.25200893       0.87691073       2.07061364 
Hf       2.61079710      10.19425447       6.73676555      -0.00152681      -0.13674408       0.02295748 
Hf       5.84714796       0.27270681       3.78840340       0.52956947      -1.89059963      -0.71226709 
Hf       4.98388753       5.39155127       9.00689218       0.65213079      -0.34620468      -0.58509439 
Hf       7.70328997      10.14151052       6.79050712      -1.75226617       0.74267917       0.45290045 
Hf       7.32143046       2.87609090       9.31081471      -0.79401387       0.03296349       1.24262593 
Hf       2.08923196       2.75527452       9.40330135       0.30815916       1.16403521       0.45981967 
Hf       3.46861587       4.98746645       1.47349303       0.02557981      -0.92007323       0.57441174 
Hf       3.08075137       2.86145055       4.13133035      -1.24965173      -0.27377185      -0.54645698 
Hf       1.19867112       2.35671629       1.10296760       0.21752380       0.41167211       0.82987836 
Hf       5.07916973       0.29755790       9.02760637      -0.15080117      -1.22726821      -0.53682157 
Hf       7.73258334       5.04497195       6.77336313      -1.19181000      -0.46970976      -0.72868215 
Hf       0.36695970       2.36185398       6.36211538       0.17745490       0.53570371      -1.13870736 
Hf       8.13564135       2.72764922       4.17973815       0.52268594       0.25564988      -0.20452162 
Hf       6.34991091       2.37283144       1.07645015      -0.55267205      -0.67022317       0.35510614 
Hf       5.46420794       7.58156556       6.35608679       0.25971610       0.54497292       0.00022542 
Hf       7.23262321       8.02949337       9.46652474      -0.06360850      -0.83781095      -0.35834185 
Hf      -0.18935750       0.22466468       8.91614875       0.81466787      -0.45573329       0.99743606 
Hf       2.57168301       5.07012530       6.77265266      -0.17222570      -0.95531922       0.52584860 
Hf       8.58214258       4.95251152       1.55072609       1.01180220      -0.09816653      -0.18960794 
Hf       2.20589816       8.01671663       9.43073150      -0.66352509       1.21831762      -1.36182965 
O       8.88965633       3.51910877       6.03519342       0.39562183      -0.65150689      -0.09004069 
O       3.84828218       1.66771129       9.75471508      -1.09090027       0.52154191      -0.37088155 
O       6.10345096       3.91317568       7.65451669      -0.07878645      -0.49086919       0.41397157 
O       8.35857996       4.40082559       8.62538577       1.57817373      -0.19561785       0.44321486 
O       4.32872530       0.95829434       7.19434293      -0.20285428       0.57915007      -1.15951093 
O       6.47168214       3.89418835       5.06632775       0.97923162       0.30695376      -0.41794496 
O       6.65841028       1.34225721       8.06029090      -0.02107811       0.00680657      -0.22906422 
O       9.47964938       9.41446582       3.49057005      -0.86966634      -0.18671856      -0.38668733 
O       5.65906749       3.86210717      10.29936909       0.56420842       0.32482858       0.40048186 
O       6.68701832       6.47101069       8.12587115      -0.75636253       0.46284523      -0.62451771 
O       6.07628235       9.01553967       7.76751422       0.57032564       0.26431558      -0.06430053 
O       3.81199681       6.86907786       9.67529391       0.17945498       0.39189518       0.29759719 
O       8.87509256       8.69397011       6.11576651       0.25627472      -0.33501170      -0.61181893 
O       8.35522245       9.51872007       8.71430231       1.10047038       0.47493649      -0.44629493 
O       4.29678370       6.16117904       7.11017833      -0.57309323      -0.63411249       0.02745570 
O       6.93443708       1.27374246       5.37426528       1.17417848      -0.17540086       0.48432644 
O       6.56362217       9.16004208       5.14037872       0.25383237      -0.18700318       0.21176754 
O       7.48715337       6.45335560       2.73753382       0.15077064       0.37577873       0.40493518 
O       7.04872650       9.03686690       2.51800450      -0.15435861      -0.88663824       0.52364035 
O       4.77262756       6.87045572       4.45300076      -0.02647222      -0.28051536      -0.06103607 
O       9.76724896       8.67182112       0.84563700       0.90380808      -0.16831147       0.10817188 
O       7.87914259       1.22157861       0.30293295       0.50885939       0.23383870      -1.18222090 
O       5.15051779       6.14909991       1.75572891       0.10767473      -0.25339386       0.48055310 
O       7.87393490       6.50202561       0.22676003       0.89545163      -1.24756774      -0.94318969 
O       7.47874617       1.13391226       2.85421517       0.43855499       1.49767483       0.45528269 
O       0.58749080       9.16364242      10.38203515      -0.31542611      -0.48048127      -0.20090653 
O       4.62057780       1.60699331       4.52707356      -0.17813872       0.49225627       0.16911970 
O       1.94136604       1.23152077       5.34587202      -0.41260603       0.51991480       0.11274839 
O       1.48447387       1.39687421       7.91521240      -0.64164778      -0.84078659       0.62144799 
O       0.98491758       3.82067088       7.85092005      -0.75123512       0.60212574      -0.94476295 
O      -1.39743364       1.60909257       9.80537326       0.10804493       0.39019219      -0.93979454 
O       3.74237706       3.59690184       5.98387969       1.14399404      -0.35113720       0.27557708 
O       3.22348403       4.36668371       8.69393894       0.59459611      -0.23821011      -0.50206217 
O      -0.93157296       0.93313154       7.08857841       0.23427229      -0.00930320       0.14182561 
O       1.54289583       3.87047894       5.12003583      -1.70358643       0.82890500       0.69823638 
O       2.73930848       1.26978594       0.21131997       0.66141289       0.27047958      -1.53955452 
O       2.46275512       1.26632763       2.75058479      -0.68232136      -0.30872152      -0.01277515 
O       1.90976592       3.73149097       2.59028538      -0.16792629       0.63075676      -0.88496514 
O      -0.40910187       1.59612725       4.43232825      -0.68007023       1.07289303       1.19089543 
O       4.69936255       3.54441776       0.63779535       0.23696805      -0.26999828       0.91171366 
O       4.33909202       4.22231772       3.27357409      -0.15893664      -0.21303082       0.25499336 
O      -0.02472974       0.95880201       1.89583569       0.13789506      -0.33928481      -0.00865325 
O       0.51231224       4.02760172      10.45604937      -0.07239349      -1.39383296      -0.80702577 
O      -0.00367041       6.05885240       1.89037780       0.56684917       0.56427429      -0.34784095 
O       4.16394684       9.44863555       3.39529257       1.39922669       0.05478986       0.36444948 
O       4.79917663       8.78600652       0.63012919      -0.37829896       0.17634639       0.94360457 
O       9.94477430       3.67539263       0.65974357      -1.01636448      -0.54696090       0.16402687 
O       9.37082808       4.21309883       3.44613199      -0.52024517      -0.25121133      -0.42153755 
O       5.17006691       0.87357333       1.91804380      -0.04697383       0.67952783      -0.61571493 
O       7.08862843       6.48837973       5.33875293      -0.33540006      -0.13889523       0.61207367 
O       1.85696768       6.47686603       5.36383285       0.19871736      -0.23535061       0.01822294 
O       1.45787276       6.55090624       8.01193193      -0.40338573       0.05494818      -0.34217110 
O       0.96475012       9.13183150       7.69827126      -0.10450753      -0.29714087       0.14124808 
O       7.08393325       3.69319681       2.47047685       0.21801531       0.95247200       0.40199201 
O      -1.28642639       6.95596733       9.78078667      -0.19372507      -0.65240118      -1.17185289 
O       3.35195494       9.63292500       8.54582294      -0.62104179      -1.81361240       1.72109087 
O      -0.92034026       6.15160802       7.06568640       1.09868559       0.21973521       0.47935950 
O       1.48456975       9.08294869       5.07622571      -0.33800340      -0.03023944       0.07747818 
O       2.80383026       6.40076034       0.09395777       0.26510076       1.46215682      -0.28102524 
O       2.45206137       6.33674604       2.72785270      -0.73090201       0.92449112       0.54312338 
O       2.03404142       8.87652116       2.50395534      -1.07832218       0.57724953      -0.73453598 
O      -0.48569447       6.79318299       4.39513854      -0.34278286       1.24564003       1.37210907 
O       3.77904895       8.73184326       6.03283636       0.76006685      -0.95761045      -0.65578291 
O       5.72492105       9.09690525      10.40555615      -0.60404027       0.63692100      -0.14771649 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011462773361921723 -0.003779351128576898 -0.0010512770553092819 -0.003779351128576898 -0.007633638358730444 0.003378200411698331 -0.0010512770553092819 0.003378200411698331 -0.012181387330602096" pbc="T T T" energy=-972.65901401 free_energy=-972.65901401 config_type=crystal 
Hf       0.82010234       0.16262714       3.73912898      -0.31026307       0.75910756      -0.04606058 
Hf      -0.16222373       5.50631146       8.83808404       1.29919472      -0.80880807       2.48322101 
Hf       0.34879415       7.61256615       6.24364841      -0.22828998      -0.23969253       0.96415112 
Hf       5.90318521       5.52799548       3.72375675      -0.27482001      -0.72079704       0.36770906 
Hf       8.55966869      10.17850985       1.55591075       1.03429480       0.07477036      -0.16014812 
Hf       8.14596557       8.01153489       4.16437968       0.51396781       0.64894195       0.13977051 
Hf       6.41415231       7.60331162       1.06387245      -1.10330844      -0.23521509      -0.09084383 
Hf       1.25118962       7.56579018       1.18080297       1.13840427       0.92584755      -1.13474025 
Hf       3.04088079       8.07010031       4.30203699      -0.17188237      -1.13530560      -0.99338939 
Hf       3.39212548      10.16142301       1.62235037       0.92586281       0.29210669      -1.61461776 
Hf       0.81305487       5.37072195       3.65348117       0.33888171       0.89495711       0.46786375 
Hf       5.52816036       2.34298552       6.34529471      -1.06879489       1.15425902       0.22915846 
Hf       2.51828370      10.21982976       6.88169042       0.86895614      -0.70344869       0.38184622 
Hf       5.85820612       0.18408039       3.73531674       0.88428543       0.22014744      -0.28230203 
Hf       5.05036034       5.43154434       8.88309081      -0.02634990       0.31181031       1.31773312 
Hf       7.67872056      10.21528962       6.79402387       0.88830832      -1.45612336       0.00924849 
Hf       7.32740199       2.89017058       9.39106344      -1.01558427      -0.21010607      -0.70131302 
Hf       2.07458639       2.83326148       9.31004848       0.66423498       0.19598713       1.06560531 
Hf       3.55035520       4.96864786       1.49455867      -0.40934131      -0.30937972      -0.80279840 
Hf       3.03513742       2.87117920       4.17566035       0.05048734      -0.49653236       0.28161397 
Hf       1.19346598       2.33651476       1.09781359       0.92395590       0.20388135      -0.00162335 
Hf       5.05871992       0.13935506       8.99281846      -1.08310610       1.12947476       0.01961477 
Hf       7.73784918       4.98132163       6.68371890      -0.32773385       0.87035847       0.54593519 
Hf       0.30230910       2.36459578       6.26087252       0.82677851      -0.02768405       0.23089225 
Hf       8.19214723       2.75911051       4.10176028      -0.73228916       0.03570601      -0.07400979 
Hf       6.34194479       2.34572690       1.03555762      -0.38358336      -0.33771822      -0.44774667 
Hf       5.49558299       7.60648170       6.44927707       0.29021988      -0.41218278      -1.30398448 
Hf       7.34339605       7.98369222       9.51161236      -1.26139647      -0.04630634      -1.15153237 
Hf      -0.17153565       0.17441763       8.99929900       0.84573728      -0.27394806       0.50725210 
Hf       2.60402334       5.01062538       6.78972536      -0.57666022      -0.42215659      -0.51704968 
Hf       8.55516339       4.88321656       1.55240870       0.31379630       1.29268405      -1.20488428 
Hf       2.07225016       7.92740664       9.42479909       0.26991482       0.74560780       1.05815431 
O       8.87390083       3.48424320       5.98268871       0.84133244      -0.34536843      -0.05038882 
O       3.78265723       1.65165454       9.73959728       0.18080461      -0.17205541      -0.50756623 
O       6.23938259       3.94936955       7.65926232      -0.62261485      -0.25864170       0.42165975 
O       8.53574238       4.30308990       8.58387895      -0.29897157      -0.11196081      -0.14529359 
O       4.26512020       0.91841680       7.11791243      -0.13145266      -0.34570218       0.15720349 
O       6.61789847       3.97643294       5.12689428      -0.11849519      -0.16986567      -1.04361583 
O       6.57746884       1.43781676       8.01802016       0.38454679      -0.84543059      -0.29296047 
O       9.37219959       9.52616970       3.50599079      -0.04234162      -0.28312682      -0.60624952 
O       5.63334308       3.97425607      10.25562428       0.76170165      -1.23546283       1.02447972 
O       6.64108357       6.66070974       7.97861063      -0.12703639      -1.18648498      -0.08541530 
O       6.10845232       9.05996369       7.71854673       0.16091165       1.65291206       1.09688232 
O       3.76479766       6.82210469       9.81814933       0.38662714       0.26372751      -0.56291649 
O       8.93573062       8.75894032       6.04720231       0.33804136      -0.24447917      -0.10636182 
O       8.43888570       9.43669388       8.67432595       0.24231850       1.25913369      -0.52508696 
O       4.24617197       6.12769995       7.14036341       0.55146113       0.73786899      -0.72093052 
O       7.04341354       1.20188692       5.39164113       0.12848669       0.63520665      -0.58256259 
O       6.66299651       9.05382708       5.14204831      -1.27840684       1.23597177       0.06749448 
O       7.55781306       6.57300276       2.74461216      -0.37505412      -0.80739152      -0.57334717 
O       7.07603179       9.07993478       2.51990437      -0.74445429      -0.53107593       0.19232156 
O       4.68748588       6.93967909       4.51118030       0.84212318      -0.77045224      -0.07677951 
O       9.86949331       8.71122715       0.77235688      -0.48259196       0.13077025       1.10972223 
O       7.91066109       1.21522650       0.09930487       0.28942658       0.16484926       0.01058430 
O       5.19398557       6.11638731       1.83401570       0.28074006      -0.14254596       0.71989623 
O       7.95398460       6.38472770       0.00001659       0.27772187       0.51347198       1.52307053 
O       7.56694663       1.24426478       2.70352390      -0.71446382       1.07724469       0.84877494 
O       0.51794572       9.14893652      10.45382765       0.05977012      -0.73717471      -0.60506181 
O       4.72125880       1.68895674       4.50162886       0.13852314       0.14801731      -0.01587691 
O       1.93823998       1.22375101       5.41073444      -0.28045443       0.10210521       0.40711530 
O       1.49331006       1.22069408       8.10797616      -0.39255804      -0.13441774      -0.49440218 
O       1.11458379       3.71480426       7.61300714      -0.62776640       0.75700074       0.46633438 
O      -1.32267695       1.71800146       9.65977373      -0.11523643      -0.08635463       0.10659800 
O       3.82500796       3.58183706       6.07394247       0.46462393      -0.90720115      -0.53580038 
O       3.29688339       4.38647026       8.69618586      -0.23950825      -0.77418999      -0.38768736 
O      -0.81007700       0.89466781       7.02344937      -0.79203677      -0.59755010       0.54177429 
O       1.42204465       3.90889831       5.10748437       0.25456865       0.45541974      -0.76796472 
O       2.68747244       1.16983109       0.20923329       0.17829805       0.90315116      -0.27855347 
O       2.34118977       1.36284475       2.87136661       0.02469965      -0.09755281      -0.73436206 
O       2.03785612       3.84519031       2.44036957      -1.25521450       0.19427720       0.09953060 
O      -0.32190073       1.75132667       4.34782375      -0.72248238       0.12472705       0.47459406 
O       4.68468216       3.51434076       0.66753332      -0.23880085       0.29764936       0.86447894 
O       4.20573339       4.33092956       3.42534630       0.98691772       0.51300531      -0.05452240 
O       0.00692114       0.88757030       1.81404874       0.24011478      -0.07235001       0.17714093 
O       0.51313112       3.90987811      10.24282764       0.14564816      -0.12140521       0.27550804 
O       0.15194727       6.06649966       1.74121111      -1.98773111      -1.78731919       0.80413220 
O       4.20356306       9.48704546       3.50725369       0.18081553       0.58338504      -0.32159703 
O       4.59365114       8.67378374       0.93504959       0.71733006      -0.57855182      -0.41277702 
O       9.75186501       3.44791197       0.76765493       0.06626134       0.36920773       0.26299864 
O       9.40253569       4.17055472       3.36125156       0.14774374       0.91418756      -0.52696244 
O       5.12184281       0.92670930       1.86395245       0.36616395      -0.01014631       0.59028407 
O       7.04560507       6.53148595       5.38124292       0.12162907      -0.83678022      -0.22115919 
O       1.91153882       6.48732906       5.30023742      -0.18281264      -0.70212188       0.79969730 
O       1.54008345       6.48281915       7.91285029      -0.56265433       0.15264907       0.54150735 
O       0.97044138       8.93857782       7.84111208       0.01445854       0.72919996      -0.55146945 
O       7.01756004       3.83313321       2.44228971       0.10819224      -0.04857359       0.42677041 
O      -1.29165438       6.95493506       9.67492429       0.97126223      -0.81370536       0.57360904 
O       3.32094384       9.41817318       8.83354758       0.33070156       0.59286724      -1.05783497 
O      -0.87273092       6.25520176       7.17058357      -0.88617254      -0.57878384      -1.84818880 
O       1.48172808       9.10363286       5.22099570      -0.46633774       0.78829433      -0.18439678 
O       2.79853195       6.42307381       0.12339217      -0.16050561       0.30940465       0.12291843 
O       2.31795632       6.65231677       2.85956889       0.32081618      -0.45273177      -1.02682604 
O       1.84887003       9.16441671       2.49643703      -0.50722537      -0.84749842       1.08589977 
O      -0.47870493       6.82009687       4.42510522       0.52271352      -0.26449393       0.21730036 
O       3.85125496       8.72707276       6.09537868      -1.07093420       0.74932460       0.63927547 
O       5.66945806       9.10688751      10.44072796       0.27142609      -0.20962501      -0.23615076 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010740430441063145 0.00123690389328642 -0.0003021800491373142 0.00123690389328642 -0.004418198685526595 -0.00022048445559242556 -0.0003021800491373142 -0.00022048445559242556 -0.013521960861707264" pbc="T T T" energy=-972.67436785 free_energy=-972.67436785 config_type=crystal 
Hf       0.80514569       0.15323036       3.76724598      -0.77822376       1.09217341      -0.31578476 
Hf      -0.14660305       5.45861730       8.90541148      -0.11893427      -1.33863808       0.91007115 
Hf       0.30971672       7.62332831       6.28133008       0.07939029      -1.27120368       1.19517750 
Hf       5.86095892       5.54525397       3.69724236       2.16334355      -1.67900169      -0.05783115 
Hf       8.58331135      10.15703134       1.55267216       0.27656675       0.53880443       0.48378388 
Hf       8.16145678       7.98943754       4.18550885      -0.58446848      -0.00545375      -0.59566489 
Hf       6.41560883       7.63229722       1.06744926      -0.54257609      -1.33715343      -0.41480339 
Hf       1.25667964       7.57107271       1.17979198      -0.83237767      -0.54899509      -0.55943272 
Hf       3.04828290       8.05888544       4.32584980      -0.21740399      -0.42109223      -1.19418787 
Hf       3.40036581      10.15368026       1.60848634       0.85694350      -0.25458982      -0.25401471 
Hf       0.80128668       5.40243022       3.64710070      -0.66003385      -0.93949653       0.08111199 
Hf       5.50699661       2.36347435       6.31008499      -0.64311485      -0.02015424       0.45726611 
Hf       2.52987386      10.20144809       6.88967927       0.32711991       0.38543679      -0.14851219 
Hf       5.89881583       0.17159708       3.74338277       0.42200206       0.98648494       0.04987318 
Hf       5.06061549       5.43559168       8.85180946      -0.45474176      -0.27072976       1.76563362 
Hf       7.70747355      10.19431712       6.80475442       0.41629846       0.51537118      -0.71172328 
Hf       7.29700935       2.85840994       9.36297479       0.68053508      -0.48390147       0.69916961 
Hf       2.10337467       2.81669519       9.33563327       0.27657388      -0.21807003      -0.06810616 
Hf       3.54982780       5.00689277       1.52030106      -0.88024186      -0.52613511      -0.91811596 
Hf       3.04661235       2.89105770       4.12586868       0.79939655      -0.48825522       0.40911966 
Hf       1.23590415       2.35295438       1.11491716      -0.50992389       0.51899758      -0.20623097 
Hf       5.06676644       0.16174251       9.00742152      -0.43385230       1.44735650      -0.75862134 
Hf       7.72993021       4.96566397       6.65636698      -0.28550750      -0.48907440       0.29488609 
Hf       0.28742046       2.33728675       6.26843893       0.81392485      -0.12817570       1.09031531 
Hf       8.14619845       2.75492644       4.09658706       0.09079701       1.69650937       0.09438927 
Hf       6.33007737       2.36466975       1.03421754       0.13322918      -0.14129653       1.15886995 
Hf       5.51095554       7.59944310       6.43915083       0.66664846       1.26023248      -1.50048264 
Hf       7.34099372       7.99717270       9.45869435      -0.03961746      -0.39225504       0.17518828 
Hf      -0.16477826       0.17399641       9.02417888       0.96961879       0.84015373       0.20931971 
Hf       2.60039473       5.02982373       6.78312584      -0.56131204      -1.63945244      -0.39449387 
Hf       8.56855504       4.92161421       1.51491164       0.21718384      -0.39180642       0.06494640 
Hf       2.05771733       7.95815703       9.43757022       1.06768051       0.16247208       0.28801989 
O       8.97608953       3.49875542       5.93856452      -0.57652145       0.66926679       0.43820839 
O       3.87537936       1.67976611       9.62363008      -0.51866066       0.51644401       1.00998597 
O       6.09754518       3.90687178       7.63702933       0.49656662       0.41416521       0.58444470 
O       8.50874676       4.24186301       8.60300083      -0.35411647       0.38616691      -0.65177187 
O       4.21890253       0.98454106       7.10972365       0.62319800      -0.24748396       0.09482873 
O       6.62027297       4.04734712       5.03499148       0.29303938      -0.88290928       0.49114353 
O       6.66221294       1.38551180       8.00825641      -0.45395409      -0.34925124       0.10854800 
O       9.28003022       9.52471069       3.42836469       0.33458489      -0.18630123       0.67220430 
O       5.77201165       3.86183713      10.35982054      -0.94769078       0.95340756      -0.42623949 
O       6.61911287       6.52341653       7.90892056      -0.02840454       0.74863921       0.68629411 
O       6.19134057       9.20158519       7.75762225      -0.80520456      -1.80368662       0.15531437 
O       3.73162158       6.74096355       9.80324438       0.44929042       0.48958719      -0.68041979 
O       8.93869210       8.70263209       6.08570722      -0.76191871       0.29317872      -0.91500257 
O       8.49417903       9.50045975       8.68190916      -0.79725280      -0.88638764       0.29876577 
O       4.18169436       6.31255588       7.11844722      -0.16174003      -1.06174833       0.52764939 
O       7.11749265       1.23380040       5.39097875      -0.26407761       0.25262950       0.10264036 
O       6.53328727       9.09706671       5.08967969       0.56826723      -0.23782853       0.97613019 
O       7.48945449       6.51886101       2.62410230       0.41777635       0.39326692       1.15088478 
O       6.94257092       9.00981899       2.51720162       0.63989114       0.62164535      -0.01960332 
O       4.74823387       6.91488140       4.51917072      -1.25023499       0.73458887       0.71455766 
O       9.76309291       8.68006644       0.88704280       0.50399279      -0.98557963      -0.74418061 
O       7.91741913       1.22724038       0.23922790       0.06649925      -0.07522268      -0.89204403 
O       5.19687529       6.10106723       1.84708935      -0.30030857       0.60564990      -0.32238211 
O       7.99425154       6.50077587       0.06387422      -0.24358454      -0.53390865      -0.45698321 
O       7.39644253       1.36806006       2.83577079       0.52720683      -1.44284949      -1.21728922 
O       0.51725913       9.03872822      10.45432832      -0.21395443       0.62793565      -0.04379950 
O       4.79056168       1.72151951       4.49954418      -0.67249434      -0.20244149      -0.51901637 
O       1.89978422       1.18036831       5.45065095      -0.19029384       0.79037397      -0.51867090 
O       1.43531216       1.21184342       8.06161481      -0.11030237       0.82140471       0.43095115 
O       1.04314165       3.78965865       7.72293577      -0.01611400       0.39891330      -0.75942712 
O      -1.29986605       1.68454939       9.71570068      -0.26491546       0.13177012      -0.02558274 
O       3.86004513       3.56669892       5.96521332      -0.27511305       0.60393493       0.26033548 
O       3.38221969       4.27644035       8.58273386       0.02413152      -0.08362614       0.17819639 
O      -0.90992585       0.90312270       7.11439379       0.66936836       0.34315236      -0.02488346 
O       1.57351601       3.96627321       5.08085667      -0.82819630      -0.19847516       0.18091489 
O       2.76533915       1.19089690       0.25176371       0.44081334       0.05493176      -0.72010770 
O       2.28999651       1.34975142       2.89069987       0.47143024      -0.20051017      -0.69333590 
O       1.94600312       3.88935780       2.47506466       0.63624843       0.00977000      -0.07071838 
O      -0.39501717       1.69390169       4.44699852       0.02374905      -0.54782612      -0.47709624 
O       4.63190017       3.48097607       0.74290001       0.33782794       0.03490296      -0.32426234 
O       4.35139123       4.28649494       3.32407246      -1.33632376      -0.44747745       0.31846870 
O       0.08815647       0.78180998       1.72355417      -0.36663583       0.15463671       0.90331738 
O       0.54562537       3.83031744      10.25732811      -0.13799549       1.01796140       0.45423789 
O       0.01998876       5.88893637       1.77476090       1.26098596       2.39282813       0.08553371 
O       4.25379335       9.41437708       3.42522050      -0.98674966      -0.05460814       0.08990193 
O       4.63436645       8.63573822       0.81201287      -0.20767673       0.75650846       0.00321886 
O       9.88248628       3.52926164       0.78020282      -0.24943809      -0.80074018      -0.87807445 
O       9.49211737       4.14901949       3.29279668      -0.77289206      -0.10429602       0.76268782 
O       5.12205233       0.91951558       1.93649921      -0.54078893      -0.16230221      -1.07309312 
O       7.07010650       6.51282238       5.34936189      -0.17171292       0.21467291       0.11251295 
O       1.86056617       6.42846367       5.38794523       0.47773825       0.92486640      -0.30335571 
O       1.41819726       6.46741679       8.03070718       0.23943919       0.37081405      -0.79872395 
O       0.92017612       9.00440897       7.77857144       0.45264742      -0.10320470       0.36796903 
O       7.06784630       3.79841497       2.52510741      -0.17081055       0.34730481      -1.05678012 
O      -1.26105809       6.87677364       9.82023642      -0.95169689       0.39834321      -0.76931502 
O       3.36072342       9.48686591       8.66629710      -0.35639432      -0.87778984       0.85566592 
O      -1.02968757       6.19770124       7.09486280       1.53446866       0.18992531       0.42998136 
O       1.43080859       9.11924978       5.17620524      -0.29709212      -0.45041864       0.31589164 
O       2.80949112       6.48326459       0.11971350       0.09855080      -0.73042919       0.34873283 
O       2.28731231       6.62196204       2.70801930       0.92127582      -0.51477908       0.97738268 
O       1.77811329       9.08089287       2.61311816       0.95127802      -0.08523301      -0.36370463 
O      -0.50308399       6.74961118       4.49587391      -0.03104808       0.87619748      -0.28693613 
O       3.77227222       8.77900055       6.11584663       0.52454848      -0.73450988      -0.54042511 
O       5.72060664       9.09742580      10.36661494      -0.16793228      -0.08366259       0.15247217 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0004664985060303784 -0.001851888600470583 -0.0006811540100086325 -0.001851888600470583 -0.007389573612732123 0.0005825601733808548 -0.0006811540100086325 0.0005825601733808548 0.0009547347153500544" pbc="T T T" energy=-972.63908405 free_energy=-972.63908405 config_type=crystal 
Hf       0.78499742       0.20800634       3.76174188      -0.87884628       0.07882885       0.20588275 
Hf      -0.09976011       5.40020025       8.94178320       0.30851603       1.03179575      -0.62934931 
Hf       0.34083925       7.55934124       6.36578607       0.34007068      -0.10148334      -0.29330082 
Hf       5.82879802       5.48248173       3.64116776       1.36116557      -1.29406850       0.14864717 
Hf       8.52752612      10.22833277       1.60029841       0.70125700      -1.22095593       0.19487358 
Hf       8.14149661       7.93906206       4.21761628       0.78993253       1.21194383      -0.59854840 
Hf       6.33580780       7.59640249       1.08262660       0.94097396       0.71965954      -0.47190736 
Hf       1.21639610       7.56219078       1.10524307       0.38616809       0.80242215      -0.64596042 
Hf       2.95159363       7.95633665       4.07927758       0.67891371       0.76405381       1.17728700 
Hf       3.52120224      10.20241407       1.52829117       0.14087400       0.46873735       0.49298615 
Hf       0.79685847       5.42886354       3.64166118      -0.05415904      -0.50498015       1.62259996 
Hf       5.44937200       2.38415364       6.44511222       0.55323020      -0.56295320      -2.17693558 
Hf       2.55815048      10.16206097       6.73487765       0.35425006      -0.44961007       0.37382909 
Hf       5.88484673       0.20704264       3.79602703      -0.33280695       1.00052370      -0.79444405 
Hf       5.18001395       5.49086244       9.02235440      -1.53509204      -0.13523640      -0.08251821 
Hf       7.68620696      10.16579109       6.76627062       0.82217007      -0.03021028       0.76830755 
Hf       7.27883776       2.80326417       9.40836137      -0.19838308      -0.35340585      -0.02293834 
Hf       2.14446331       2.87511088       9.31406821       1.17032145      -0.64951601       1.32590672 
Hf       3.49153836       4.92206608       1.46151175       0.00849147      -0.06580734      -0.21550731 
Hf       2.99007019       2.82296781       4.09826086       0.12652186      -0.18904743       0.44529210 
Hf       1.19023870       2.37835907       1.06544019       0.52589585      -1.67996459       0.32073720 
Hf       5.03676699       0.13682606       8.95750762      -0.23401383       0.65073447       0.01061712 
Hf       7.68203294       4.97428812       6.78436575       0.44722247       0.15884908      -0.47570510 
Hf       0.27609802       2.36162561       6.38119022      -0.21230333      -0.08567443      -0.56998778 
Hf       8.10023966       2.81845385       4.20946415      -0.34295513       0.02960782       0.52457223 
Hf       6.47278089       2.42144077       1.07446575      -1.66254621      -0.62311732       0.26415569 
Hf       5.49752666       7.57800647       6.34109510      -0.22394853       0.20990526      -0.15403538 
Hf       7.32932280       8.03352315       9.41922233      -0.11038513       0.44304857       0.31419311 
Hf      -0.05005558       0.23502661       8.97838057      -0.78144043      -0.31181623       0.19546881 
Hf       2.66581909       4.92080896       6.77023669      -0.59346702       2.25998601       0.15169049 
Hf       8.60704021       4.95449118       1.58058555      -0.83879890       0.04611825      -0.24701003 
Hf       2.10690338       8.02523044       9.41912478      -0.28850883      -0.15629719      -0.28904114 
O       8.75304380       3.31617528       6.18893564      -0.11181320       1.24984795       0.01733853 
O       3.95261418       1.71311719       9.64674597      -0.96674683       0.78248456      -0.40797290 
O       6.21905013       3.75760387       7.79785167      -0.66388733       1.25277935       0.28519992 
O       8.46585383       4.38148406       8.70416252      -0.35564654      -0.48821965       0.29183292 
O       4.35029947       0.80148536       7.01770072      -0.63712465       0.04704532       0.21461636 
O       6.46107112       3.91201384       5.03698943       0.57467060       0.67804822       0.85910669 
O       6.69592331       1.30399162       7.89480094      -0.67947815      -0.16740805       1.45900049 
O       9.45296097       9.42897597       3.50112629      -1.38576882      -0.24354026      -0.30472462 
O       5.70074436       3.97858726      10.46665002       0.57065865      -0.13115914      -1.11690958 
O       6.70520767       6.55539474       8.00062227       0.30367059      -0.80918602      -0.26917134 
O       6.20762294       8.93526353       7.82355143      -0.48347734       1.12290035      -0.46958504 
O       3.82869262       6.99510581       9.61750446       1.01010530      -0.52789971       0.62155937 
O       8.87162244       8.54096844       6.15202839      -0.50155015       0.91425877      -0.15401878 
O       8.50410456       9.56024447       8.76772886      -0.53958539      -0.16850521      -0.31571585 
O       4.45959253       6.05891266       7.17289507      -0.92454188      -0.15522295      -1.43676235 
O       6.95417142       1.28475275       5.36649810       0.13425478      -0.68596225       0.27992386 
O       6.57246710       9.09540322       5.20833136       0.17465241       0.56548870      -0.54368820 
O       7.50141352       6.55504719       2.74014553      -0.04183887       0.08718991      -0.62296165 
O       6.96659159       9.15552615       2.55473250       0.47429906      -0.67796870       0.21620040 
O       4.69455542       6.95154740       4.30837095       0.22415861       0.30065068       0.87883829 
O       9.73568330       8.61014516       0.87014117      -0.10323509       0.65047803      -0.02870586 
O       7.96213200       1.21178575       0.11482211       0.52144257       0.45469178      -0.06479295 
O       5.16004176       6.11202931       1.70879959      -0.23807395      -0.57214806       0.51044266 
O       7.99493664       6.49261575       0.06407972      -0.07406417      -0.23363897       0.81898242 
O       7.45714905       1.48755541       2.81184604       0.38133658      -1.32396113      -0.88637872 
O       0.61834371       9.20676070      10.42716898      -0.63543678      -0.75607976       0.00834489 
O       4.64940898       1.77779574       4.41432973       0.44194547      -0.49878967       0.37388312 
O       1.85357677       1.31321987       5.39103199       0.42492106      -0.80544051      -0.29602129 
O       1.38850685       1.41068957       7.94201861       0.96679030      -0.26145355       0.69844897 
O       1.08787275       3.87960266       7.67019175      -0.52822533       0.21771034       0.96402413 
O      -1.38241413       1.70823064       9.71822229       1.17489541      -0.45635990      -0.21458813 
O       3.79438615       3.52487767       6.05659803       0.34302980      -0.79461694      -0.10463142 
O       3.33971628       4.45384904       8.74488379      -0.26068751      -1.00558937      -0.05844226 
O      -0.86780350       0.82896332       7.11560419       0.08878434      -0.06962951      -0.09739369 
O       1.46853285       3.96962771       5.16460997      -0.38670018      -0.04503151      -1.20257954 
O       2.82504650       1.27126074       0.13162263      -0.08564024       0.48208425      -0.50096594 
O       2.29621838       1.33537956       2.74543730       0.23614888      -0.00856462      -0.07148638 
O       1.83409456       3.81472763       2.36570726       0.37114772       1.09215820       1.14401133 
O      -0.57688067       1.59346847       4.64140320       0.86305300      -0.09778072      -1.13590967 
O       4.69314560       3.42691796       0.83267813      -0.56761685       0.14134704      -0.94434755 
O       4.20048912       4.29985177       3.35295043      -0.73092462       0.21056569       0.02524179 
O      -0.06026397       0.88409070       1.96879155       0.61151697       0.65385611      -0.75136132 
O       0.55144806       3.88965777      10.29789974       0.07649855       0.31837152      -0.07854780 
O       0.00855331       6.09413421       1.81821264       0.06730068      -0.38386314      -0.00439824 
O       4.16560634       9.61077310       3.48457978      -0.36440945      -0.64502237      -0.00142780 
O       4.68699806       8.71340391       0.81678381      -0.18551467      -0.25138359      -0.00192146 
O       9.77708001       3.37717733       0.83809065      -0.94240394       1.33869241       0.10635121 
O       9.32275497       4.26337882       3.50248622       0.55084077       0.65556086      -0.78239284 
O       5.26114848       0.87079673       1.80952750      -0.29297659      -0.02299508      -0.00754175 
O       7.04709725       6.49060658       5.25785622      -0.56164447      -1.03739883       1.27459272 
O       2.07795448       6.46854985       5.33629349      -0.73650143      -0.37657051      -0.17546721 
O       1.41396617       6.58003252       7.91029393       0.35205422      -0.47331880       0.90007751 
O       1.00062637       9.05089837       7.79867848      -0.24422120       0.48884775      -0.42601186 
O       6.92817907       3.95863062       2.40311056       0.81010745       0.16041243       0.84626486 
O      -1.21253771       7.00927370       9.60807641       0.39082006      -0.55462404       0.66599847 
O       3.23173202       9.55700571       8.68400927       0.66609103       0.48182602      -0.22579411 
O      -0.90389207       6.08127247       7.00208047      -0.04974871      -1.18453390       0.56338163 
O       1.39384666       9.01009422       5.15550922       0.54840906       1.30072964      -0.07986334 
O       2.86411887       6.45538867       0.13513560      -0.60522494      -0.11444171      -0.60504607 
O       2.37473548       6.48979239       2.65328605      -0.37360131      -0.11095812       0.42432164 
O       1.94202653       8.98989840       2.54440412      -0.63847309       0.35281354      -0.67302697 
O      -0.41587626       6.86634864       4.46820718       0.72622900      -0.54735529      -0.36611465 
O       3.83497681       8.72920734       6.05815768      -0.47498165      -0.39721369      -0.18572862 
O       5.55961259       9.14622050      10.39361446       0.96056925      -0.36954761       0.27451156 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0016674337493865397 0.0030981756540183814 -0.0037188726590111536 0.0030981756540183814 -0.0046235610255635565 0.0007500501033400176 -0.0037188726590111536 0.0007500501033400176 -0.004671226113799501" pbc="T T T" energy=-972.37910484 free_energy=-972.37910484 config_type=crystal 
Hf       0.76962798       0.17422884       3.77522044      -0.69523497       1.16960465      -0.73063074 
Hf      -0.10434863       5.40380423       8.97814914       0.13767877       0.19341451      -0.27390355 
Hf       0.38472604       7.54271188       6.33829544      -0.28079021       0.63100139       0.74751899 
Hf       5.83312980       5.43500774       3.68035700       0.83808506      -0.19026506       0.78074960 
Hf       8.52733314      10.15294951       1.56506527       0.30706758       0.87761858       0.66989026 
Hf       8.20204624       7.94520917       4.19837039      -1.51553330       0.92660419      -0.59800014 
Hf       6.36022044       7.60240641       1.01359208      -0.04278427      -0.82031666       1.85770112 
Hf       1.23593151       7.62568223       1.04062793       0.80886582      -0.39693554       1.13765135 
Hf       2.92314653       7.97922024       4.09059711       0.86180057       0.54865723       0.55831425 
Hf       3.47709772      10.23556067       1.56334223       0.17477191      -0.50205257       0.32594759 
Hf       0.80999524       5.44331094       3.65268932      -0.49720859      -1.01164169       0.61787494 
Hf       5.47467326       2.37362473       6.33552255      -0.51452782       0.32958650       0.20875713 
Hf       2.63731651      10.14332737       6.71433304      -1.30786232       0.70640460       0.26778106 
Hf       5.88239992       0.17708596       3.77299998       0.76179334       0.08989285      -0.78854448 
Hf       5.14353179       5.50113148       9.03789201      -1.16458809      -1.36313526      -1.13910878 
Hf       7.72640832      10.15538250       6.77088311      -0.32285805       0.08886892      -0.62814168 
Hf       7.21294401       2.79981532       9.44366580       0.35855245      -0.05749193       0.64801376 
Hf       2.09579195       2.89674171       9.36931536       1.30837708      -0.99108873      -0.01653145 
Hf       3.48001708       4.89946272       1.49210468      -0.48800566       1.47700725       0.69947739 
Hf       2.95257954       2.81926014       4.14628434       0.63848986      -0.27398902       0.79275696 
Hf       1.25634125       2.32047806       1.09351917      -1.26758688       0.64724653      -0.14133850 
Hf       5.01330410       0.11600578       8.92364081      -0.61614642       1.97001152       0.43048047 
Hf       7.65310451       5.00718401       6.84246444       0.37264340      -1.12906816      -0.42044986 
Hf       0.29536928       2.38193063       6.35039337       1.32521347       0.33173908      -0.55297867 
Hf       8.13074404       2.80630427       4.23570102       0.05892107      -0.48128254      -0.14422770 
Hf       6.40866443       2.39881019       1.10636401      -0.35801375      -0.45719486       0.11378581 
Hf       5.47382880       7.61450872       6.23546793      -0.35282516      -0.62861448       0.39034551 
Hf       7.40582740       8.03316904       9.40924478      -2.06306257       0.96760260       0.31083673 
Hf      -0.02962059       0.19361515       8.92835432      -0.35424572       0.63921068      -0.39866704 
Hf       2.64527713       5.00070898       6.80090764      -0.40686408      -0.28245066      -1.04222838 
Hf       8.57809661       4.97810396       1.63896996       0.61098849      -0.67666601      -0.56348079 
Hf       2.16012786       8.04873319       9.46103934      -1.36835500      -0.75668158      -1.41952876 
O       8.93462474       3.47119756       6.07553751      -1.18428265       0.93540005       0.66342387 
O       3.87403837       1.80461611       9.69081661      -0.20664740      -0.46628659      -0.23415074 
O       5.99019420       3.96755952       7.73690491       1.00227032      -0.44410341       0.75339175 
O       8.39099021       4.30241578       8.78553617       0.38660531       0.95609437      -0.82420405 
O       4.24828099       0.87898158       7.06037878       0.22159682      -0.30319622       0.08370067 
O       6.55965342       3.90742174       5.25588967       0.22353496      -0.31770289      -0.65311232 
O       6.50262436       1.33544398       8.08273989       0.77389171       0.36353651      -0.75894134 
O       9.20275867       9.55610996       3.50683640       0.87583956       0.10188947      -0.29372861 
O       5.64518679       3.96653151      10.40336520       0.31588479       0.09783510       0.38430311 
O       6.62485294       6.58902418       8.06630154       0.15640163      -0.01104708      -0.35890361 
O       5.97251016       9.08518530       7.59527763       0.91742798       0.45691024       1.52572527 
O       3.87761354       6.99978975       9.65658270       0.47329839      -0.47765766      -0.64514272 
O       8.87960834       8.60468880       6.06046350      -0.33100223       0.34138430       0.75139374 
O       8.37142738       9.64155861       8.70003726       0.34070123      -0.55483676      -0.09619757 
O       4.30959120       6.06957290       6.83334552       0.39785566      -0.10856179       1.42885785 
O       7.04801724       1.19905151       5.37354673       0.31579467       0.50587211       0.87344934 
O       6.55758654       9.14501969       5.13204356       0.39529407      -0.81848613      -0.21202253 
O       7.41857522       6.55368876       2.80998408       0.80841215      -0.96710799      -0.69338721 
O       6.92747968       8.92179469       2.45522843       0.57609788       1.47157037       0.23724309 
O       4.72924996       6.99442358       4.34866096      -0.27458438       0.07880974      -0.28101826 
O       9.81545315       8.70966185       0.83979479      -0.14036520      -0.26735996      -0.22783591 
O       7.93858364       1.32628265       0.23896087       0.36109188      -0.54880959      -0.61453461 
O       5.16588903       6.05351574       1.77495075       0.38910138       0.21999927      -0.08163485 
O       7.96673761       6.41272664       0.17462242       0.02387914       0.79702777      -0.18197913 
O       7.50015506       1.22765942       2.83216688      -0.13677773       0.50557831      -0.25433926 
O       0.50644063       9.05973667      10.33378770      -0.29918602       1.01278430       0.21026846 
O       4.78238770       1.62383079       4.50964060      -1.10926400       1.01081333      -0.26769714 
O       1.96825347       1.25374395       5.29119463      -0.41269564      -0.77213872       0.51232791 
O       1.49297550       1.34654830       7.91071826      -0.36251843       0.65726805       0.80108663 
O       0.91372087       3.94629963       7.80688868       0.34122739      -0.54193093       0.00407907 
O      -1.25805853       1.73248844       9.64702717       0.20824098      -0.19939669       0.20104423 
O       3.70819310       3.42300737       5.99077763       0.26833109       0.25907364       0.57290498 
O       3.34057621       4.31457710       8.54597866       0.32235291       0.20465535       1.55254603 
O      -0.83941811       0.85287794       6.95382094      -0.34870673      -0.72698560       1.08749774 
O       1.38425952       3.86676566       5.05633067       0.00913304       0.95163093       0.60877110 
O       2.90745530       1.22799306       0.09318366      -0.67672233       0.37190181      -0.21314497 
O       2.42857855       1.37578877       2.75108189      -0.71367568      -0.87788881      -1.02411204 
O       1.90162787       3.87015778       2.58122348      -0.14173974       0.03815818      -1.07088052 
O      -0.38815011       1.75085485       4.49509466      -0.11377960      -0.49344826      -0.67974990 
O       4.75081376       3.59453337       0.76394077      -0.57288741      -0.70857280      -0.72004448 
O       4.24966817       4.25157191       3.44203614      -0.50448088       0.05232316      -0.64507904 
O      -0.02268685       0.95863462       1.81988654       0.29640611      -0.94566730       0.57207523 
O       0.46439524       3.96164620      10.44872689       0.83628578      -0.58739279      -0.42160878 
O       0.10943187       6.03738075       1.74946384      -0.67315095      -0.06101369       0.52751762 
O       4.09203622       9.54264486       3.46109239       0.18491544      -0.02325107      -0.13985855 
O       4.54734861       8.60488039       0.83408079       0.67644858       0.57694143       0.56683126 
O       9.80059120       3.46910869       0.83036978      -0.31597152       0.12798107       0.23346322 
O       9.29963656       4.34012403       3.48647902       0.98081794       0.78980431      -0.06324955 
O       5.20408886       0.89845923       1.82577915      -0.60180050      -0.39382909      -0.05609050 
O       6.95103439       6.31971417       5.41009737       0.65203276       1.30569261      -0.36635511 
O       1.84037232       6.45280730       5.35067309       0.75578664      -0.44568806      -0.75855215 
O       1.56693876       6.59280853       8.01478735      -0.70582621      -0.50908731      -0.32195103 
O       0.96055417       9.07026203       7.70093851      -0.07385915       0.13681069       0.25372104 
O       7.04551005       3.78003329       2.66287172      -0.37857295       0.41173247      -1.27346503 
O      -1.30613198       6.97859521       9.71336483       1.04631652      -1.00288312      -0.58028982 
O       3.17252863       9.63241494       8.74740288       0.77972057      -0.07212734      -0.24564494 
O      -0.83271723       6.08885936       7.05359298      -0.45380725      -0.45435055       0.70602611 
O       1.41566066       9.11009063       5.10669588      -0.15767238       0.02217681       0.24628186 
O       2.84885868       6.43385281       0.09258397      -0.42182127      -0.21892894      -0.27761774 
O       2.42209348       6.60188030       2.64861287      -0.55497424      -0.53838840       0.50580848 
O       1.74647077       9.09777772       2.54925728       0.57513165      -0.11548822      -0.75959477 
O      -0.38875993       6.99571884       4.42690974       0.75160387      -1.13214042      -0.59937857 
O       3.68715905       8.56586878       6.09084852      -0.21216988       0.40382191      -0.41102217 
O       5.75168635       9.17904562      10.37599522      -0.43270423      -0.67264839      -0.32252984 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015126706272806949 0.0022792641538962096 0.00169800263259465 0.0022792641538962096 -0.008233944060058026 0.0002768693502583408 0.00169800263259465 0.0002768693502583408 -0.013352973387739001" pbc="T T T" energy=-972.31685959 free_energy=-972.31685959 config_type=crystal 
Hf       0.77434922       0.23853572       3.76643670      -0.15576352      -0.27187473       0.74673580 
Hf      -0.14924488       5.41670513       8.94762205       1.04361948      -0.51270672       0.72043830 
Hf       0.33667070       7.57808710       6.50695058       0.26766359       0.57747985      -0.51103661 
Hf       6.00801688       5.49471703       3.60702878      -2.24342805      -1.60121435       0.82195073 
Hf       8.66362951      10.17999639       1.54452486      -0.39834636       0.02487279       0.64237539 
Hf       8.18694941       7.96074183       4.19059103       0.05267859       1.48935305      -0.18425175 
Hf       6.47222719       7.63717639       1.08283325      -0.73163309      -1.20584470      -0.17907317 
Hf       1.25753811       7.62660489       1.09600875      -0.59987481      -0.63870945       0.23210061 
Hf       2.91500031       7.98097049       4.20180030       0.78815731       0.53567070      -0.10264183 
Hf       3.50116189      10.18390283       1.64336173      -1.25044849      -0.18442415      -1.28397170 
Hf       0.65718938       5.44570632       3.74637921       0.42291614      -0.24088895      -1.63510821 
Hf       5.47876091       2.34237104       6.19985982      -0.46423637       0.08411485       0.96897008 
Hf       2.60590660      10.20136455       6.75379372      -0.32349050      -0.51630265       1.09645033 
Hf       5.95185797       0.15632075       3.70128246       0.09050023       0.36420553       0.90486746 
Hf       5.01248358       5.47397041       8.95188518      -0.04531558      -0.81641379      -0.80805061 
Hf       7.74856352      10.18691643       6.87253013      -0.79752681      -0.09744942      -1.26605538 
Hf       7.23982972       2.82825657       9.43212713       0.34615884      -1.65779498      -0.68011430 
Hf       2.22012394       2.84747613       9.40732160      -1.50965463      -0.52606129      -0.29195854 
Hf       3.44619036       4.93250958       1.50451879      -0.91050884       0.14318756       0.56376015 
Hf       2.98906501       2.81104848       4.10902879       0.31094833       0.55020811      -0.62241840 
Hf       1.14401114       2.27964773       1.09540602       1.40444430       1.30255332      -0.57552090 
Hf       5.12621496       0.15128364       8.97449021      -1.62266167       0.85981917      -0.28819487 
Hf       7.59972435       4.90791575       6.79015682       0.96812794       0.96340786      -0.34588505 
Hf       0.30447832       2.41916904       6.35696359      -0.01049296      -0.81765027      -0.10390514 
Hf       8.16169372       2.84289536       4.15774793      -0.45212674      -0.26059052      -0.78135909 
Hf       6.32561198       2.34747610       1.08916111       0.63390004      -0.19885645       0.54940246 
Hf       5.47215736       7.56793121       6.27392517      -0.47835024       0.19375595       0.21450098 
Hf       7.30400889       8.04107751       9.38619831       0.60384681      -0.56951754      -0.30578087 
Hf      -0.03747643       0.26948561       8.96357758      -0.29560995      -0.70851737       0.82043478 
Hf       2.54387168       4.89971105       6.72058278       0.58966504       1.35568937       0.31180095 
Hf       8.51696587       4.97755088       1.42242774       1.55734070      -1.43164841       0.96499909 
Hf       2.16784665       8.06480739       9.55907795      -0.70789817      -0.81702411      -2.67153157 
O       8.91679020       3.57575915       5.97214707      -0.14924466      -0.06721325       0.47033053 
O       3.87595773       1.71577659       9.64973107       0.18537189      -0.30229706       0.38173719 
O       6.16679961       3.78008379       7.72025665      -0.68923004       0.06716755      -0.44606778 
O       8.39966183       4.22603360       8.63019472       1.17824108       0.96954449       0.01259586 
O       4.24521804       0.97096261       6.99561663       0.23469278      -0.61660655       0.66654730 
O       6.54941890       3.97394987       5.07927308       0.18732138      -0.16977544       0.40415713 
O       6.58731223       1.24319956       8.03700354       0.39892883       0.82863859      -0.02303021 
O       9.43153920       9.45758378       3.42873200      -0.48847085      -0.37606505       0.34068039 
O       5.74734563       3.83561399      10.30824859      -1.98896417       1.37752617       0.53211558 
O       6.58383346       6.56093423       7.97677639       0.36463503      -0.14789346      -0.50285082 
O       6.04557574       9.08988608       7.73443685       0.84562006      -0.62742850      -0.09398204 
O       3.89956788       6.88981336       9.81742825      -0.33148232      -0.20998181      -0.76353512 
O       8.89732315       8.69584244       6.18318709       0.05441151      -0.89481253      -1.02927443 
O       8.47778955       9.51676139       8.67448010      -0.33704259      -0.37157304       0.51044214 
O       4.28128253       6.09048534       7.06105092      -0.07075298      -0.06964606      -0.02091297 
O       7.05393406       1.21541072       5.33544126      -0.34408292       0.38092920       0.64813123 
O       6.61790407       9.06356559       5.00888430      -0.37190572       0.12725853       1.11747365 
O       7.49999723       6.52069988       2.61890157       0.31258644       0.55418768       0.39406239 
O       7.14848839       9.03804848       2.49472669      -0.67786989      -0.19983264      -0.21731258 
O       4.72150792       6.83639020       4.41221501      -0.80291599       0.99110182       0.30164027 
O       9.87449389       8.76862272       0.73804423      -0.07228969      -0.36872230      -0.11485616 
O       7.91380015       1.27998277       0.23719373       0.24612541      -0.86818390      -0.70723947 
O       5.07987692       6.04083698       1.81153217       1.90126396       1.50457363      -0.10931620 
O       6.25279743       6.31550007      10.49184019      -0.59486894       1.81595794       0.20695217 
O       7.45323665       1.22704411       2.83485209       0.85571005       1.43624408      -0.93569547 
O       0.57750628       9.13968770      10.41379711      -0.12510391      -0.29026801       0.78154034 
O       4.65984502       1.66833647       4.38026425       0.66420563      -0.06747892       0.18298766 
O       1.86642984       1.27089656       5.42627594      -0.07286887       0.63049775      -0.59839437 
O       1.38447440       1.37476003       8.01845342       1.06291898       0.28477808      -0.32209787 
O       1.05715407       3.83461601       7.75222127      -0.47054463       0.38862578      -0.61782371 
O      -1.33727295       1.66260726       9.71825999       0.08696061       0.01271373       0.29709248 
O       3.71972766       3.44377112       6.01214117       0.09259559       0.16150337      -0.36188305 
O       3.35426976       4.28408855       8.55452992       0.36595182       0.20273756       0.82800781 
O      -0.89067414       0.87699942       7.09073576       0.62829299       1.26106403      -0.17435819 
O       1.38595845       3.91064491       5.01985321      -0.02094996       0.54112747       0.73268323 
O       2.88775808       1.19622213       0.12629274      -0.54989148       0.66253378       0.05113075 
O       2.31955938       1.26989961       2.71387243       0.50682882       0.91654176       0.61760884 
O       1.88321503       3.82833726       2.38795895      -0.28869538      -0.21519161       0.84098407 
O      -0.48114227       1.73824830       4.48568456       0.62900442      -0.35318035      -0.00699436 
O       4.63637832       3.46470663       0.81115928       0.63945495      -0.32972381      -0.53977289 
O       4.20887580       4.30293976       3.42826840      -0.26423368      -0.18896313      -0.15356401 
O       0.00842248       0.90100069       1.93282348      -0.41275914       0.01153965      -0.29805090 
O       0.55399404       3.94141806      10.32699214       0.13188997      -0.05467221      -0.22263731 
O      -0.11209619       6.11001442       1.73097199       1.14864466       0.46512046       0.68478038 
O       4.21857130       9.51513770       3.44943023      -0.63059670      -1.18740780       0.01620272 
O       4.77626156       8.69727184       0.73336958       0.08456584       1.02174519       2.06522369 
O       9.70853839       3.35690067       0.84684415       0.41212280       0.60047750      -0.14398726 
O       9.31921412       4.31003405       3.32005199      -0.00783223      -0.03905750       0.71874446 
O       5.17239974       0.83383824       1.84100678       0.62228749       0.68824230      -0.45323288 
O       7.05542367       6.51001191       5.32326090       0.43853322      -0.89034640       0.13237803 
O       1.87900460       6.54856499       5.42448517       0.09756034      -0.94518332      -0.31335283 
O       1.52048159       6.61328968       8.02949573      -0.28971494      -0.65681850       0.55597490 
O       0.89715102       9.11543353       7.83536438       0.97449422      -0.12550714      -0.22355767 
O       6.98975594       3.86559602       2.50197745      -0.06394073      -0.51948271      -0.73069157 
O      -1.29042984       6.86309451       9.66283402      -0.50511636       0.89541439       0.46680880 
O       3.41988011       9.40240029       8.61383995      -0.41922689       0.56292834       0.07615466 
O      -0.76297119       6.00774015       7.11906182      -1.30767549      -0.15111141      -0.72799096 
O       1.46079246       9.19382841       5.23761760      -0.43024993      -0.59765334      -0.61185121 
O       2.81708222       6.50607263       0.22635051       0.04690297      -0.05363630      -0.81156915 
O       2.21587574       6.59846698       2.72539704       0.03230386      -0.24913784       0.79631666 
O       1.80485372       9.18570611       2.58319034       0.66198397      -1.67974150      -0.41457927 
O      -0.47872806       6.87186516       4.54294530       0.56519138      -0.27444532       0.16378527 
O       3.76562756       8.70420185       6.01331293       0.46020782      -0.28828175      -0.18722165 
O       5.77813579       9.11096228      10.39090122      -0.45852506      -0.25003626       0.01686837 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01094675954717314 -0.0024949734680337686 -0.0009209750603296283 -0.0024949734680337686 -0.007414633527774418 0.0030070020043073643 -0.0009209750603296283 0.0030070020043073643 -0.012460159111566536" pbc="T T T" energy=-972.77683459 free_energy=-972.77683459 config_type=crystal 
Hf       0.81781642       0.15940968       3.74595615      -0.36766681       0.36141340      -0.11379177 
Hf      -0.16005010       5.49693629       8.84961368       0.87186295      -0.55660832       1.98714987 
Hf       0.33937722       7.61713902       6.24985814       0.00751686      -0.55448614       0.96301169 
Hf       5.89211477       5.53401074       3.71678247      -0.02910283      -0.60868494       0.42390105 
Hf       8.56386561      10.17242352       1.55421512       0.74870670       0.24839821       0.17387881 
Hf       8.14903418       8.00574968       4.16947939       0.44566921       0.44103610       0.05072470 
Hf       6.41717740       7.61141418       1.06534463      -1.17019281      -0.34433073      -0.22640121 
Hf       1.25245377       7.56654763       1.18258051       0.49031482       0.56529456      -0.95085685 
Hf       3.04354760       8.06984066       4.31061156      -0.43303893      -1.06923376      -1.20523487 
Hf       3.39160340      10.16040798       1.62093468       0.94919783      -0.12660315      -1.04461959 
Hf       0.80996018       5.37698677       3.65070870       0.33804380       0.78621932       0.57328382 
Hf       5.52573967       2.34640206       6.33570053      -1.10021986       0.87758981       0.48664760 
Hf       2.51828802      10.21745319       6.88320167       1.10585932      -0.88045742       0.23530377 
Hf       5.86556482       0.18020305       3.73698340       0.82344026       0.20637390      -0.08412196 
Hf       5.05267546       5.43204536       8.87205879       0.07776097       0.29951251       1.39535164 
Hf       7.68327270      10.21338030       6.79734279       0.90920163      -1.58231099      -0.09852905 
Hf       7.32163625       2.88409506       9.38403855      -0.82937407      -0.34718292      -0.14213808 
Hf       2.07888048       2.82969750       9.31467966       0.96701522       0.05310797       0.76643057 
Hf       3.55248369       4.97884188       1.50297888      -0.76498819      -0.48263262      -0.97857793 
Hf       3.03634888       2.87690747       4.16261401       0.32613718      -0.49981855       0.57309976 
Hf       1.20263789       2.33911825       1.10160483       0.59378344       0.35239581       0.07111394 
Hf       5.06253794       0.14086373       8.99759076      -0.97037507       1.36872719      -0.33117863 
Hf       7.73743980       4.97570920       6.67575883      -0.57465100       1.07361023       0.74799132 
Hf       0.29670873       2.35895914       6.26123616       0.89718887      -0.16928318       0.37094128 
Hf       8.18203274       2.75598085       4.10135160      -0.34055395       0.49650030      -0.33375254 
Hf       6.33950268       2.35143906       1.03489472      -0.27249327      -0.56108529      -0.21063002 
Hf       5.49820788       7.60334445       6.45123805       0.26229051       0.10283131      -1.59934222 
Hf       7.34461894       7.98700725       9.50111724      -1.05623032      -0.06496288      -0.94963280 
Hf      -0.17189561       0.17453192       9.00404390       0.76153250      -0.32656284       0.50318847 
Hf       2.60436331       5.01724316       6.78999585      -0.51140892      -0.63028156      -0.67441392 
Hf       8.55622745       4.89053673       1.54548714       0.75264467       0.95863018      -1.00210333 
Hf       2.06719084       7.93264263       9.42578782       0.48615660       0.80091648       0.95280963 
O       8.87208670       3.49783557       5.96616657       1.16671531      -0.59182978       0.05957522 
O       3.81525517       1.64389767       9.70137127      -0.14920921       0.22675183      -0.01375312 
O       6.20261513       3.91494213       7.62616689      -0.13409754       0.54107641       0.83543289 
O       8.52990327       4.26865210       8.61303120      -0.09396534       0.48144268      -0.68515121 
O       4.24569910       0.94933853       7.10581103       0.12395662      -0.57629129       0.37218862 
O       6.61513840       4.00648074       5.13492398      -0.01465653      -0.33751914      -1.35102901 
O       6.59683736       1.46297166       8.01782485       0.18670100      -1.34658221      -0.15498877 
O       9.33322582       9.52206075       3.48858544       0.50530087       0.08130803      -0.32187914 
O       5.66444600       3.95173105      10.26478877       0.45532023      -0.68107302       0.86543250 
O       6.63836851       6.64538852       7.94701458      -0.09770020      -1.00722212       0.31071675 
O       6.14549516       9.08840328       7.69788736      -0.28397161       1.07118007       1.19318192 
O       3.73640414       6.79150454       9.83700155       0.65749379       0.40095128      -0.70980348 
O       8.95985126       8.73098045       6.07857355      -0.39756130       0.29496819      -0.54551947 
O       8.45203532       9.43508889       8.67667461       0.25353033       1.14943001      -0.31014830 
O       4.21997074       6.16768887       7.14201809       0.60541400       0.53562771      -0.55118744 
O       7.05951949       1.18138624       5.41770568       0.10016951       1.00369170      -1.00125103 
O       6.64831420       9.03631102       5.11309557      -0.99326191       1.34119040       0.38798498 
O       7.54759380       6.57695409       2.71510300      -0.36682322      -0.86112493      -0.34317617 
O       7.05283610       9.06355468       2.52571539      -0.56883023      -0.24828894      -0.13272000 
O       4.68460068       6.96043807       4.50978697       1.10882659      -1.31031397      -0.08497706 
O       9.83593694       8.73078584       0.79513874      -0.02196847      -0.52408862       0.65578354 
O       7.90652506       1.21122530       0.14908521       0.25857275       0.25987927      -0.40747239 
O       5.17846787       6.10079740       1.81874964       0.64048375       0.21437347       0.88168572 
O       6.17500999       6.41180232      10.48994158       0.05932041       0.21826017       1.37623993 
O       7.52722505       1.27258758       2.72706337      -0.28953730       0.59742954       0.68715607 
O       0.52348738       9.12887546      10.47415742      -0.12910005      -0.49205847      -0.85174306 
O       4.74704053       1.69955266       4.52551381      -0.11914523       0.00516357      -0.60400792 
O       1.94906543       1.18804185       5.42482045      -0.63069429       0.64423948       0.12305530 
O       1.50144456       1.20005802       8.08711580      -0.71829514       0.34475515       0.05656372 
O       1.11246172       3.71166473       7.64813338      -0.62430641       0.77170745      -0.03582485 
O      -1.31586399       1.71452373       9.67559380      -0.03610646      -0.18759964      -0.05867737 
O       3.84019950       3.57553534       6.05422636       0.04575361      -0.33726291      -0.36892469 
O       3.33801710       4.39480597       8.66925742      -0.80466625      -1.31086249      -0.09667993 
O      -0.84637011       0.88636347       7.03447247      -0.04369318       0.01449040       0.46633953 
O       1.46584340       3.92711810       5.10311424      -0.09515375       0.01880416      -0.34163520 
O       2.69386508       1.15033640       0.24466206       0.28841252       1.05329793      -0.77367016 
O       2.32257458       1.36948986       2.90248132       0.14368613      -0.28899460      -0.93688459 
O       2.02490623       3.85032748       2.44868950      -0.78605743       0.20147280       0.01912336 
O      -0.31657475       1.73149690       4.36608248      -0.95833962       0.37707172       0.36431378 
O       4.67430496       3.50069321       0.67725540      -0.18419463       0.29411571       0.56231640 
O       4.23738456       4.31671896       3.39719559       0.68838118       0.44273423       0.08665298 
O       0.02964805       0.86643717       1.76738288       0.00403500      -0.14026897       0.71096687 
O       0.51873109       3.87532124      10.23570887       0.13486194       0.28411983       0.33018392 
O       0.14636057       6.01502967       1.75045887      -1.63138702      -0.71608570       0.24376419 
O       4.22972903       9.45571976       3.50137400      -0.11383465       0.72679679      -0.52164786 
O       4.58569037       8.66676333       0.91132908       0.82117144      -0.38937133      -0.28569313 
O       9.79251159       3.46959683       0.78188995      -0.31241094       0.21609717      -0.10256951 
O       9.46532452       4.17772933       3.34057507      -1.09695621      -0.04236255      -0.16992431 
O       5.12607021       0.92483718       1.88819925       0.11931837       0.03360756       0.16853280 
O       7.05387078       6.55498786       5.37584499      -0.02224922      -1.19493476      -0.16385344 
O       1.88582262       6.48292233       5.30373758       0.23912959      -0.66268765       0.79784347 
O       1.52216478       6.48535002       7.94371739      -0.51730517      -0.17924814       0.18108107 
O       0.94778024       8.93338610       7.82107361       0.26116875       0.87180651      -0.07125211 
O       7.02151853       3.81462508       2.46168230       0.29749024       0.26478473       0.30940413 
O      -1.29316728       6.95067524       9.70553297       0.83960520      -0.83232614       0.38415185 
O       3.33172376       9.44151861       8.80411559       0.13764829       0.13387576      -0.76161901 
O      -0.90968112       6.27237463       7.16352487      -0.50166626      -1.12326211      -0.95224352 
O       1.49367758       9.08568726       5.21459549      -0.83103539       1.02797173      -0.17972418 
O       2.81045182       6.45163518       0.10932716      -0.35535360      -0.22368272       0.35431065 
O       2.28213163       6.65456835       2.83642308       0.82363379      -0.33987058      -0.82646468 
O       1.82418430       9.15670888       2.50854830      -0.09408687      -0.59500344       0.87015442 
O      -0.48647111       6.79533378       4.44359391       0.28063653      -0.01571309       0.05093333 
O       3.84050031       8.73164574       6.08292982      -0.68884716       0.66436908       0.86394617 
O       5.68271567       9.11826094      10.42714493       0.03945614      -0.44389472      -0.18845853 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008774912395725804 -0.0011526174056128134 -0.00015640076552538845 -0.0011526174056128134 -0.004157928816033813 0.0011585938815366842 -0.00015640076552538845 0.0011585938815366842 -0.013593037657187616" pbc="T T T" energy=-972.90025865 free_energy=-972.90025865 config_type=crystal 
Hf       0.78327257       0.17371795       3.78299045      -0.22008886       0.68009535      -0.47106134 
Hf      -0.11853579       5.42789164       8.95631496       0.22621218      -0.09456666      -0.22098716 
Hf       0.34468863       7.60721774       6.51716471      -0.43954800      -1.41398717      -1.78488767 
Hf       5.96374437       5.49655320       3.63465540      -0.29767185      -0.19644942       0.79744339 
Hf       8.64544426      10.17180187       1.58031180      -0.01900752      -0.70014797      -0.74425535 
Hf       8.15985029       7.96296390       4.17704790       1.15223219      -0.04525413      -0.07827749 
Hf       6.40919370       7.65538081       1.10903525       0.67791857      -0.94990238      -0.72749585 
Hf       1.25913188       7.56591237       1.09449352      -0.74873584      -0.07284221       0.85862308 
Hf       2.92152918       8.00466846       4.22464705       0.40357325      -0.62868962      -0.63276793 
Hf       3.48523851      10.16027124       1.62648697      -0.86722994      -0.26857915      -0.19921548 
Hf       0.66323953       5.42282730       3.73551331       0.50728375       0.23187837       0.02828909 
Hf       5.43773668       2.34002958       6.22174146       0.47117404       0.32601777       1.68218621 
Hf       2.62012389      10.20311448       6.77105195       0.18170266       0.26832491       0.30740305 
Hf       5.95084146       0.18560569       3.72971783       0.36211562      -1.03702376       0.31475248 
Hf       5.00972851       5.46318186       8.93698821       0.10959456       0.23076015      -0.18463369 
Hf       7.74530840      10.18643567       6.86375669      -0.52983995      -0.25147765      -1.14407941 
Hf       7.24220858       2.81989966       9.40895161       0.12953670      -0.26140624      -0.15520552 
Hf       2.22115388       2.83720916       9.37044102      -0.75184623      -0.48395057      -0.36969109 
Hf       3.45141056       4.95513289       1.53313215       0.20721570       0.47432427      -0.35054891 
Hf       3.04794919       2.80325337       4.05460047      -0.86305160       1.32415225       1.16848837 
Hf       1.19162008       2.30486488       1.08817668       0.27799765       0.61370005      -0.00257429 
Hf       5.10612376       0.17326399       8.96098163      -0.36012004       0.35455264       0.36755488 
Hf       7.63472339       4.91329408       6.76498808       0.95667043       0.48231361       0.03258502 
Hf       0.27642639       2.40285866       6.36475061       1.18148606       0.18985084      -1.68591547 
Hf       8.11876920       2.83985007       4.12248465       0.31434860      -0.37224755       0.43600825 
Hf       6.28018732       2.35186579       1.11643701       1.94981210      -0.34631205      -0.27407416 
Hf       5.49607202       7.57491182       6.28918000       0.09417489       0.04250067       0.43130651 
Hf       7.29971577       8.03959087       9.39532552      -0.43869975      -1.20964782       0.35092587 
Hf      -0.07152223       0.25757688       8.94712495       0.04391107       0.11727069       1.31118412 
Hf       2.56606368       4.93305392       6.70069404       0.27051120       0.62033324      -0.25632131 
Hf       8.55124854       4.97527853       1.42955585       0.69504802       0.23468986       0.82117599 
Hf       2.13564061       8.06901307       9.50865130       0.85758477      -0.55063988      -0.33221238 
O       8.89369170       3.50883889       5.97208144       0.01594258      -0.20937714       0.24036023 
O       3.88109184       1.69097807       9.75462751      -0.61768640      -0.23489203      -0.56799552 
O       6.20761155       3.69813948       7.67013746      -0.45989505       1.08865873       0.82329846 
O       8.53188675       4.29108932       8.64108435      -1.17389721      -1.01560498       0.35743672 
O       4.33558990       0.86468859       7.10395725      -0.13181991       0.33963084      -0.19590159 
O       6.52711692       3.94997374       5.13543735       0.16050169      -0.11924281      -0.90890767 
O       6.67247655       1.31944334       8.05219852      -0.04081800      -0.76112114      -0.34750693 
O       9.43274367       9.37644866       3.37375934      -0.21790087       0.43348073       0.45151390 
O       5.57773294       3.92863654      10.29877749       0.84767085      -0.17098311       0.32232913 
O       6.58629514       6.53909621       7.92991606       0.22153548      -0.12388940       0.35703294 
O       6.09507277       9.10477984       7.69037219       0.72345960      -0.22076477       0.51023063 
O       3.87491789       6.88967974       9.73495529      -0.78777606       0.64033783       0.18779681 
O       8.97503024       8.68641554       6.09072934      -0.42311767       0.64934797       0.38365781 
O       8.48035678       9.48280113       8.71625268       0.73597131       0.65692763      -0.76897219 
O       4.24395957       6.15926141       7.07773078      -0.08665978      -0.49361149      -0.26087582 
O       6.99687145       1.19870874       5.36827564       0.46735405       0.10242177       0.13058236 
O       6.67897983       9.07866269       5.10396521      -0.53360452       0.51855740       0.41942543 
O       7.60311321       6.51289968       2.69246899      -0.59325408      -0.01653500       0.29649904 
O       7.04025853       9.01074019       2.49915353       0.38094313       0.99177669       0.68145629 
O       4.80038792       7.04083880       4.42395918       0.04925487      -1.60154288      -0.16666384 
O       9.86052580       8.68644193       0.75021745      -0.20948321       0.39731037       0.28546873 
O       7.91319625       1.17059862       0.11354440       0.29075542       0.60453186       0.51002216 
O       5.20096349       6.24245827       1.85004999      -1.07540251      -1.38057073       0.16480950 
O       8.00168642       6.44538375       0.04361387      -0.03644487      -0.25304476       0.27968996 
O       7.55018761       1.32753822       2.78209221      -0.36144976      -0.39784925      -0.22573116 
O       2.41438278       9.08162507       0.06455833      -0.22057828       0.59678658      -1.51900886 
O       4.73336870       1.65468976       4.42099098      -0.48549650      -0.00946619      -0.51556859 
O       2.00401105       1.41169161       5.35210012      -0.67212010      -1.46930992       0.55225421 
O       1.50667594       1.37345522       7.99074132      -0.20226212      -0.26986702       0.20275245 
O       1.04608184       3.84766653       7.57278570      -0.27936163       0.62904514       1.26308361 
O      -1.38507611       1.58552270       9.81916011      -0.15073168       0.43293718      -0.79598865 
O       3.75236843       3.46803381       5.99730500       0.57240128       0.01763361      -0.12185947 
O       3.33366111       4.29924674       8.61216700       0.13817232       0.04925749       0.06951837 
O      -0.88239048       0.99854666       7.15792186      -0.37455964      -0.71047790       0.45416343 
O       1.51573893       3.98590411       5.04155855      -0.31750837      -0.55964595      -0.37189086 
O       2.74951631       1.23089818       0.13077628       0.58570137      -0.16895556      -0.01707288 
O       2.34408066       1.39728110       2.77948555      -0.01578785      -1.12714689      -0.75472414 
O       1.87839790       3.91700513       2.39434845       0.32232135      -0.42356801      -0.06989943 
O      -0.45480693       1.62545448       4.48461802      -0.10172417       0.15498173       0.16129998 
O       4.62073417       3.40286755       0.83175187      -0.59241304       0.89237206      -0.05481940 
O       4.28680013       4.30892831       3.35474120      -0.19401065       0.24299477      -0.02326794 
O       0.05118555       0.84500770       1.87196797       0.08378795       0.29473255       0.26549415 
O       0.62787726       3.89702012      10.21236072      -0.37870020       0.43100780       0.79214357 
O      -0.03374511       6.13828849       1.88406527      -0.63408587      -0.64932517      -0.98701123 
O       4.22594764       9.28560963       3.38513336       0.65573702       2.08748468       0.07963299 
O       4.77228018       8.80644329       0.89243801      -0.11286309      -0.44182214      -1.43955416 
O       9.76549686       3.46082576       0.79643326      -0.06133423       0.18792697      -0.22918094 
O       9.33141559       4.22688737       3.41242018      -0.24236199       0.26610450      -0.69976384 
O       5.21674316       0.86592472       1.92303578      -0.74416247      -0.02022186      -0.26423869 
O       7.16419525       6.43378558       5.39281782      -0.89423557       0.17424861      -0.88155391 
O       1.83848302       6.43932870       5.36490296       0.50340680       0.64545913       1.27356011 
O       1.48615570       6.57097759       8.15270025      -0.44107887       0.34107847      -1.35117337 
O       1.00940075       9.17173740       7.78751615      -0.21597206      -0.66599458       0.57811606 
O       6.96961919       3.85841716       2.45029441       0.27194880       0.33090474       0.15917261 
O      -1.29700211       6.90789528       9.71494853       0.49975661      -0.45103340      -0.18932814 
O       3.37993761       9.44767164       8.63168318      -0.16615696       0.18701185       0.31695183 
O      -0.88309179       6.00406437       7.03189982       1.10595846       1.01859411       0.65170019 
O       1.45804367       9.16479388       5.22610087      -0.30879973       0.15423315      -0.06006781 
O       2.89798513       6.47460261       0.13107439      -0.61786616      -0.42974135       1.01767452 
O       2.15638337       6.58758938       2.82425259       1.81217591      -0.29847310      -0.66332285 
O       1.83970449       9.07581721       2.54224657       0.32105150       0.35306289       0.53631077 
O      -0.41794287       6.90096630       4.50574404      -0.25051530       0.30753326       0.51769015 
O       3.80168399       8.70645260       6.02247669      -0.35099610       0.37612780       0.25346835 
O       5.77067507       9.04929993      10.39766066      -0.52171043       0.75009735      -0.43798841 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009846109932700874 0.003474614033014855 0.0004961544312156275 0.003474614033014855 -0.0021210007660099296 0.0008297278793995994 0.0004961544312156275 0.0008297278793995994 -0.00694427879895325" pbc="T T T" energy=-972.8878126 free_energy=-972.8878126 config_type=crystal 
Hf       0.72442276       0.23971315       3.78489914       1.77046689      -0.32825666      -0.80213005 
Hf      -0.12862017       5.26432366       9.05506330      -0.09277241       2.13197454      -1.01342744 
Hf       0.26626974       7.52505628       6.50679035       0.52316506       0.51210954      -0.61203840 
Hf       5.93213315       5.43377878       3.66696497      -0.96159188       1.11004838      -0.52294176 
Hf       8.67185131      10.13255939       1.55441789       0.30216261       0.31785100      -0.48846210 
Hf       8.14403846       7.95845066       4.14276118       0.99557514      -0.04922853       0.11468129 
Hf       6.37774189       7.60712943       1.03216362       0.10286641      -0.08395540       0.92555124 
Hf       1.22036397       7.55731367       1.12098744       0.12751530       1.25301197      -0.12925061 
Hf       2.96852906       7.97245876       4.21953411       0.24722843       0.89327617      -0.59783312 
Hf       3.49740320      10.14727257       1.54537982      -0.76158534      -0.05066478       1.45372073 
Hf       0.74531231       5.42712026       3.74274895      -0.53150052      -0.06540347       0.02208878 
Hf       5.37631194       2.41077638       6.27045263       1.22743367       0.23532106      -0.01631553 
Hf       2.59224555      10.17647979       6.84060405      -0.44786647       0.07914153      -0.85589163 
Hf       5.97212253       0.21305914       3.71793134      -0.53769171      -0.83817067       0.18200883 
Hf       5.01646614       5.42493965       8.95952079      -0.05820702      -0.15814167      -1.35064360 
Hf       7.73463706      10.19122580       6.82397270       0.64118737      -0.17493598      -0.04048204 
Hf       7.24472698       2.74472057       9.36067989       0.75236649       0.68499139      -0.02436254 
Hf       2.18657037       2.82222750       9.41065260      -0.50078087       0.62699434      -0.41316868 
Hf       3.43856303       5.03512673       1.50959750       0.80076469      -0.14580467      -0.26315043 
Hf       3.05569639       2.84535297       4.06211574      -1.25011338      -0.46294151       0.35808078 
Hf       1.29429372       2.38861824       1.09919012      -0.96356019      -0.32939668       0.44919232 
Hf       5.04723395       0.29558956       8.98497799       0.22012765      -0.86448970       0.32481403 
Hf       7.71681613       4.92299383       6.70174851       0.13943747       1.01089453       0.71117596 
Hf       0.32094729       2.35819951       6.36165010       0.30531185      -0.09752642      -0.39286041 
Hf       8.08880968       2.86658793       4.07412222       0.62771455      -0.42075220       0.85842565 
Hf       6.35058408       2.37180872       1.11440294       0.38754263       0.64251618      -0.46391787 
Hf       5.51300137       7.62043524       6.33303853       0.44076513      -1.28236186      -0.09326340 
Hf       7.24859986       7.96264481       9.36376034       1.04988764       0.97475583       0.31948915 
Hf      -0.06541263       0.26665945       9.06450291      -0.76610338      -0.89200474      -0.62497773 
Hf       2.51451032       4.96110346       6.72158401       0.60115405       0.55074988       1.54389748 
Hf       8.64670264       4.99804979       1.42488267      -0.27157168      -0.63896863       0.31124407 
Hf       2.12623307       8.05945566       9.43313907      -0.72965695      -0.80979530       0.37007658 
O       8.87628061       3.49851655       5.95330776       0.47858803      -0.39898669       0.06721452 
O       3.74396165       1.63550470       9.75511841       0.92822056      -0.10594614       0.28957626 
O       6.29193236       3.85350276       7.67591971      -1.33289464      -0.78760997      -0.24400739 
O       8.56739469       4.15889931       8.70230854      -0.61059192       0.23378890      -0.78543146 
O       4.25051223       0.99989012       7.09338852      -0.39362829      -0.58403726       0.33024033 
O       6.50649620       3.99497983       5.00244261       0.48904686      -0.91047225       0.75999315 
O       6.59758659       1.32501784       7.92888532      -0.09456103       0.33269968       0.60160437 
O       9.44078088       9.41471124       3.37884950      -0.21039986      -0.00783910       0.24608228 
O       5.70424442       3.83206259      10.18490610      -0.19813719       1.20127560       1.32759755 
O       6.64378187       6.43904484       7.99290791       0.10628622       1.07837330      -0.08040428 
O       6.20727169       9.15420700       7.79746651      -0.92168378      -1.16512216      -0.41385141 
O       3.81169169       6.89348394       9.68573674      -0.10291008       0.36242774       0.05382237 
O       8.89142142       8.65546233       6.19882194       0.30240749      -0.10389414      -0.68271169 
O       8.52812238       9.44381539       8.73330868       0.02850915       0.76715433      -0.57305346 
O       4.37039481       6.06873825       6.99650603      -0.70704807      -0.37164208       0.71525318 
O       6.98117505       1.23858160       5.30039566       0.15540944       0.19957697       0.63755906 
O       6.71371116       9.04158731       5.09060164      -1.33482107       1.25766764       0.60269777 
O       7.49942790       6.53301446       2.67448316      -0.02083582      -0.18567201       0.21686373 
O       7.13422770       9.01936195       2.56593316      -0.66769563       0.68044085      -0.79547592 
O       4.63365504       6.88076746       4.48387363       1.44232906      -0.96774767      -0.18998862 
O       9.90366852       8.74695490       0.69159573      -1.04034034       0.46636842       0.80661543 
O       7.93444966       1.33273378       0.13683081       0.03358290      -0.75612474      -0.34295488 
O       5.08933746       6.23236566       1.83926474       0.28217622      -0.35743576       0.15498252 
O       7.91370919       6.51632900       0.02493280       0.22442409      -0.96396182       0.79493576 
O       7.58907870       1.43440282       2.72774455      -0.75643621      -1.15519283      -0.23486689 
O       2.34077680       9.19243154       0.02157660       0.25088102      -0.30164347      -0.89759241 
O       4.69394220       1.69647859       4.42502898       0.24031431      -0.02073986       0.07817461 
O       1.91480758       1.32224904       5.33947128       0.01334688      -0.23568467       0.72932392 
O       1.54301698       1.31776718       7.97195987      -0.48539358      -0.05160350       0.26933810 
O       1.00551345       3.81722587       7.83498919      -0.23969666      -0.03289662      -1.09757021 
O      -1.34884290       1.68442730       9.75319680       0.76429576      -0.55023565       0.34134117 
O       3.74645917       3.61179082       5.90345539       0.95626549      -0.81428451       0.22449053 
O       3.31030533       4.33502209       8.63045083       0.44217533      -0.37684226      -0.44729910 
O      -0.85843657       0.93086656       7.17169999      -0.08359142       0.07025099       0.05100314 
O       1.41293148       3.92663942       5.10669137      -0.39733251       0.18854094      -0.15248292 
O       2.83991507       1.27308403       0.14453268       0.17894048       0.29708780      -0.24425967 
O       2.41555013       1.31373263       2.73415442      -0.49829330       0.35436459      -0.12289754 
O       1.91871419       3.90933459       2.48754545      -0.78617461      -0.52160991      -0.11814806 
O      -0.46833655       1.57785944       4.55950977      -1.12283893       1.14734665       0.03683362 
O       4.77871494       3.65559953       0.66422774      -0.22856987      -0.43674099       0.50660752 
O       4.22523025       4.24564809       3.23551871       1.16376264       0.44926035       0.90087687 
O      -0.03944378       1.02979443       1.91057904       0.55854832      -0.45979310       0.11524468 
O       0.59015135       3.88087776      10.37004223       0.02930052       0.15312390       0.87153784 
O      -0.04733487       6.16191000       1.78632100      -0.15113630      -0.60186687       1.02931564 
O       4.20068560       9.43784003       3.44636731       1.19804347       0.74368198       0.01077873 
O       4.71772871       8.73420123       0.82498645       0.06794457      -0.14951870      -0.70403006 
O       9.91251255       3.55204694       0.79058265      -0.88117767       0.36078934      -0.30195054 
O       9.28406882       4.29097710       3.34932983       0.99859054       0.71209924      -0.00566431 
O       5.25070506       0.88566192       1.90370651      -0.43223206       0.09725635      -0.51121834 
O       7.10960398       6.47633208       5.35680018      -0.26055072      -0.46789663      -0.42964865 
O       1.86539213       6.42295412       5.47548872      -0.07147078       0.77431326      -0.91351928 
O       1.49496800       6.46732151       8.08188777      -0.30217365       0.54560312       0.03291193 
O       0.96021835       9.05004107       7.90135184       0.45452775      -0.14578896      -0.76211101 
O       6.97711854       3.91731008       2.45212718       0.18605567      -0.10875215      -0.63024787 
O      -1.35634477       6.86846016       9.74756177       0.66108346      -0.90303068      -0.46249430 
O       3.29414986       9.57011545       8.74745276       0.60304495      -0.12012659      -0.65316806 
O      -0.83059785       6.00790587       7.10104649      -0.35609524      -0.45594183       0.33872600 
O       1.55503545       9.18122083       5.20570401      -0.82770780      -0.12139591       0.57878914 
O       2.78391909       6.53673242       0.20605225       0.18328601      -0.50062492      -0.65357289 
O       2.26822564       6.47553732       2.76260155       0.22927693       0.24769266       0.65606916 
O       1.94782882       9.03003185       2.57503737      -0.55886593      -0.22002174      -0.41592725 
O      -0.37853589       6.97501513       4.52170377       0.32448522      -0.86068946      -0.25909836 
O       3.89661526       8.68787714       6.04019265      -1.27720109       1.28533045       0.75764583 
O       5.68523618       9.18039542      10.41883971       0.02841897      -0.04431312      -0.34727790 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006370413191339461 -0.0032616816287024926 -0.0024539608298845554 -0.0032616816287024926 -0.005069661780449818 0.001897090264918688 -0.0024539608298845554 0.001897090264918688 -0.007114205707426087" pbc="T T T" energy=-972.98211738 free_energy=-972.98211738 config_type=crystal 
Hf       0.78475521       0.24478829       3.73726460      -0.79487452       0.36830364      -0.04781871 
Hf      -0.12402805       5.41956163       9.01751909       0.70450778      -0.85059829      -0.32715176 
Hf       0.41579443       7.48000873       6.32974114      -1.05472874       0.51639604       0.77238616 
Hf       5.81399877       5.38846525       3.60870573       1.96555464      -0.35524481       1.79463633 
Hf       8.54341845      10.16021680       1.57559494       0.69147661       0.44801913      -0.56869769 
Hf       8.16541724       7.95776948       4.18147558       0.46604608       0.52086858       0.74946190 
Hf       6.35839810       7.58862462       1.09017746       0.18978114       0.42339401      -0.66331368 
Hf       1.19405994       7.52505409       1.12526139      -0.07283661       0.82346142      -0.47407332 
Hf       3.02068584       8.03231465       4.08647962      -0.56497242      -0.88372175       0.73679369 
Hf       3.42101399      10.17138501       1.50051408       0.51961305      -0.02584696      -0.10438875 
Hf       0.79284178       5.29747691       3.76708301       0.40258763       0.95892024      -0.04460982 
Hf       5.44287779       2.36366325       6.35118459       1.02071824       0.28114243      -0.30810882 
Hf       2.49861364      10.10832018       6.75747449       0.68423748       0.92882160      -0.23757153 
Hf       5.86446112       0.25409322       3.74290499       0.93279477      -0.31507056      -1.24517816 
Hf       5.08344321       5.47696666       9.00664857      -0.21917907      -0.01984639       0.29205478 
Hf       7.72777349      10.17125576       6.73014661       0.23342358      -0.63357206       0.57396362 
Hf       7.26731233       2.79960627       9.40428042       0.04884485       0.10900484      -0.01491650 
Hf       2.21673968       2.83755984       9.42284965      -1.10483677      -0.35047134      -0.38156709 
Hf       3.46306064       4.99023837       1.48470629      -0.86510938      -0.88223949       0.03146131 
Hf       3.02658425       2.85181813       4.13152030      -0.78490415      -1.20087274       0.73739786 
Hf       1.21062902       2.38869461       1.12997962      -0.17060486      -0.51052392      -0.60529681 
Hf       4.98617714       0.22769813       8.91024774       1.15038005      -0.92486727      -0.10171794 
Hf       7.74108999       4.99658850       6.80762990      -0.67309409      -1.02090783       0.28643530 
Hf       0.30773824       2.32813031       6.34810183       0.97997374       1.89341426      -0.35526733 
Hf       8.10595921       2.84773204       4.21769031      -0.09707760      -0.60908730      -0.55390726 
Hf       6.46634037       2.42299298       1.09166057      -0.48044806      -0.49889920       0.57670048 
Hf       5.46740023       7.52872291       6.29339378       0.74554895       1.05720626       0.59947590 
Hf       7.30244848       8.05821163       9.38266864      -0.31667388       0.97213055      -0.05211313 
Hf      -0.06463731       0.27368776       8.97831642      -1.02495402      -0.33908833      -0.77581341 
Hf       2.64383028       4.98445804       6.83058292      -1.27110151      -0.67492888      -0.24102046 
Hf       8.68141099       5.02934391       1.59074319      -1.43520039      -0.59626067      -0.57178539 
Hf       2.10191945       8.04170415       9.39385166       0.01172708      -0.65734371      -0.46876929 
O       8.82301120       3.37427137       6.08073079      -0.04662837       1.45357055       0.42807710 
O       3.91112817       1.72059062       9.63439140      -0.42838555       0.62781578       1.01397244 
O       6.10311807       3.76609305       7.76809206       0.36786225       0.84238790       1.06050459 
O       8.44643846       4.34156943       8.76435607      -0.53781588      -0.03534440      -0.44732857 
O       4.24419590       0.95564845       7.13249637      -0.90184632      -0.91037825      -0.78359643 
O       6.50306841       3.91538403       5.23924099       0.10652335       0.73070793      -0.87210626 
O       6.64294424       1.22876464       7.88457946      -0.07855750       0.91405456       0.87750327 
O       9.35764604       9.52304014       3.42545067      -0.57344716      -0.86289820       0.22765794 
O       7.45844890       4.06488885       0.00957601       0.19951774      -0.61232805      -0.60507140 
O       6.55840014       6.62447005       7.96828341       0.75815393      -1.31574564       0.04148456 
O       6.14541571       9.03900834       7.76462488      -0.16917879       0.13833973      -0.15812133 
O       3.81103487       6.90553772       9.73880480       0.00690250      -0.32432636      -0.23684059 
O       8.91288896       8.51905209       6.14812438      -0.43730544       0.75922112      -0.86628018 
O       8.53400280       9.53770230       8.59259611      -0.38313531      -0.21032889       0.35030301 
O       4.34951937       6.06575104       7.12285316      -0.84483472      -0.18552938      -0.33858028 
O       7.03400038       1.27038650       5.24389065       0.08844124      -0.35155472       0.84088149 
O       6.57127776       9.17025772       5.20011045       0.14962711      -0.67565207      -1.02020208 
O       7.55350408       6.56628782       2.68888934      -0.73191711      -0.63124635       0.23667014 
O       6.98962603       8.99590202       2.52530135       0.18646208       0.68254704       0.42296775 
O       4.69807293       6.82109870       4.47441491      -0.08655292       0.58846811      -0.06767704 
O       9.87855106       8.82797999       0.65845158      -0.38405636      -0.31941344       1.02459075 
O       8.03191995       1.38161378       0.11536027      -0.20470277      -0.77951482      -0.23861200 
O       5.07266035       6.10974562       1.84794158       1.12268136       0.71327702      -0.34246820 
O       7.94193140       6.57409863       0.07198445       0.36307895      -0.40440988       0.43886276 
O       7.56912538       1.39485673       2.68249049      -0.82475945      -0.78207028       0.19039805 
O       0.54177031       9.11410098      10.26372401      -0.22726315       0.19341652       1.11030456 
O       4.79382256       1.81857422       4.35511021      -0.80730000      -0.26539808       0.37370768 
O       1.88742493       1.26809419       5.39853045       0.24892186      -0.76392443      -0.42940296 
O       1.39947002       1.40136095       7.96782527       0.84533291      -0.35144869       0.58323219 
O       0.94197549       3.96761646       7.72587856       0.49797323      -0.80170041       0.15157019 
O      -1.25653671       1.80769860       9.65749006      -0.03094803      -0.37642974       0.12633067 
O       3.70255724       3.40274504       6.08050555       0.01140193       0.63884590      -0.06122034 
O       3.30215522       4.34438198       8.73204346       0.78442929       0.45831900      -0.23841898 
O      -0.84664178       0.92095640       6.98346273      -0.94056574      -1.59824215       0.75192710 
O       1.39777673       3.79807136       5.11298804       0.20408074       1.11424930      -0.32176029 
O       2.82436266       1.23730318       0.09799713      -0.06028936       0.08619722       0.49378647 
O       2.32392380       1.32150686       2.77233717       0.41499558      -0.13710183      -0.28391025 
O       1.93203760       3.81502490       2.51973478      -0.45339807       0.55309801      -0.37933244 
O      -0.44911899       1.75649470       4.40590238       0.62491911      -0.76061686       0.16419891 
O       4.70613321       3.44213455       0.83669260       0.12486876       0.33146930       0.14151494 
O       4.14254728       4.34562580       3.42437667       0.24920717       0.12303070      -0.10546472 
O      -0.00699881       0.89380074       1.83023927       0.60279796       0.26242089      -0.08408549 
O       0.68525324       3.88028987      10.41464021      -1.13561815       0.70528669      -0.14900607 
O      -0.02344341       6.14534371       1.96822074       0.40667395       0.56962817      -0.63837284 
O       4.19095706       9.45075216       3.34634409       0.53358681       0.46627072       0.38474385 
O       4.62647853       8.72162409       0.71549244       0.26207647      -0.08099237       0.67765659 
O       9.84818223       3.54923948       0.80645113       0.10091721      -0.23464481      -0.38446279 
O       9.43173747       4.20777172       3.31924208      -0.40244075       0.14232837       1.02146238 
O       5.17454613       0.84444725       1.82118756       0.28678450       0.41540751      -0.24763432 
O       7.13004716       6.40596993       5.35926341      -0.57698765       0.54052619      -0.37681739 
O       1.93480436       6.35774764       5.31038392       0.51787453       0.01172499       0.73179100 
O       1.48642864       6.50768812       7.98342966       0.25239921       0.41709925       0.09676217 
O       0.96362380       9.01868035       7.68794498       0.27010071       0.44710343       0.28169903 
O       7.01462206       3.84567066       2.63557178      -0.18596965       0.61503373      -0.81305481 
O      -1.35736369       6.85564539       9.80523770      -0.00621319      -0.08422941      -0.36277540 
O       3.28337861       9.45893961       8.58283004       0.50282746       0.36704063       0.28953848 
O      -0.86350793       6.03692316       7.20616123       0.18408448       0.65019529      -1.01875315 
O       1.48783605       9.13033467       5.12139954      -0.42506986      -0.42663761      -0.22864937 
O       2.82488733       6.45717497       0.11317804      -0.45659938       0.06724560       0.17381557 
O       2.28153455       6.51770405       2.71641137       0.78152694      -0.61990915       0.08815597 
O       1.84007083       8.95952351       2.53918607       0.22262435       1.15860934      -0.68828396 
O      -0.36450241       6.86941451       4.55673089      -0.65960412      -0.66370586      -1.29429159 
O       3.78457813       8.71602840       5.97247920       0.19746562      -0.26926996       0.14817355 
O       5.59132748       9.17597373      10.39841218       0.56481603       0.11654409       0.18628382 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003922106051492822 -0.0008175997221491851 -0.0011545145247946439 -0.0008175997221491851 -0.0035147615792746937 -0.00203815022489186 -0.0011545145247946439 -0.00203815022489186 0.0028516276175086725" pbc="T T T" energy=-973.23676488 free_energy=-973.23676488 config_type=crystal 
Hf       0.77473725       0.23190994       3.72556800       0.08681319      -0.39259424      -0.21249499 
Hf      -0.05156474       5.36256930       8.90027071      -0.85325573       0.16832629       0.25954369 
Hf       0.28105813       7.53018908       6.40100808       0.53453293       0.07939633      -2.13374276 
Hf       5.89073672       5.42314836       3.82301721      -0.07031746      -0.20102862      -1.11895857 
Hf       8.64108927      10.22168454       1.57788512      -0.92246249      -0.76907168      -0.75279665 
Hf       8.11053858       8.00946057       4.11262702       1.43456109      -1.16248366      -0.24672916 
Hf       6.29787653       7.58160359       1.08714636       1.05567672      -0.35993643      -0.14163891 
Hf       1.26786792       7.61090796       1.08839929      -0.97917644      -0.66378671      -0.01159530 
Hf       2.93841031       8.01288563       4.19877655       0.60521739      -0.33195588      -0.75654974 
Hf       3.50668827      10.20314700       1.52730107      -0.78905647       0.32334928       0.70871515 
Hf       0.79348288       5.41515137       3.67783969      -0.26551056       0.22361572      -0.15347005 
Hf       5.46008093       2.32196138       6.35521860       1.14960034       0.47255854       0.58373898 
Hf       2.56459375      10.13638624       6.73875174      -0.42212249       0.20893990       0.81256666 
Hf       5.96191141       0.17893782       3.71326982      -0.33708961       0.48371556       0.00463305 
Hf       5.03161901       5.37125653       8.99282245      -0.12082686       0.60886207       0.16328409 
Hf       7.78944459      10.14731475       6.76039386      -0.15438334       0.36012569       0.11963981 
Hf       7.25439369       2.82588613       9.40387688       0.21315283       0.48291726       0.42979186 
Hf       2.12412594       2.84785215       9.38413326      -0.17171681      -0.26002193      -0.26610796 
Hf       3.44768718       4.96404340       1.53559916      -0.09264926       0.12350965       0.35813300 
Hf       3.04729543       2.76254357       4.14367914      -0.52008260       0.31291773       0.16626536 
Hf       1.24469529       2.36966759       1.06931784      -0.46390075       0.76695444       0.30812953 
Hf       4.99157959       0.23150524       8.95947490       0.69815752      -0.03088196       0.43410050 
Hf       7.68426950       4.95598219       6.76812177      -0.06673420      -0.20711145       0.49721669 
Hf       0.35381101       2.43153016       6.35920326       0.35164240      -0.41660011      -0.87061740 
Hf       8.19779449       2.82312668       4.16238877      -0.80654916      -0.20113583      -0.33234988 
Hf       6.34727621       2.40833591       1.06933905       0.55626446       0.59800113       0.47945979 
Hf       5.51057142       7.59418416       6.39033245      -0.45932234      -0.93023770      -0.45502304 
Hf       7.29268930       8.03849282       9.44202813      -0.30024357      -0.57429352      -0.20015561 
Hf      -0.09025763       0.23435561       9.00393249      -0.50484088       0.37091946      -1.01474915 
Hf       2.66666790       5.00521193       6.72246018      -1.75236451      -0.75245458      -0.03079433 
Hf       8.59098481       5.01791271       1.55060113      -0.44299870      -0.11049397       0.24296929 
Hf       2.04715225       7.98533545       9.41542994       0.87567878       0.12162209      -0.32157437 
O       8.94197023       3.47668155       6.02776836      -0.31072151       0.07683762      -0.04493032 
O       3.88271364       1.77878272       9.63178841      -0.63521151       0.01611920       0.31934867 
O       6.12559857       3.81919276       7.79973148       0.13781154       0.20317072       0.33082437 
O       8.52833772       4.30601363       8.59602823      -0.86751606      -0.81265017       0.08506651 
O       4.25398616       0.90813519       7.08235745      -0.46121743      -1.57456910       0.16533203 
O       6.58089493       3.83872433       5.21891196       0.01800510       1.05007886      -0.42743294 
O       6.60941180       1.30213197       8.04922475       0.04337947      -0.08118119      -1.10026315 
O       9.38072563       9.43507819       3.40343336       0.16097803       0.99317816      -0.56496409 
O       5.67363191       3.99106601      10.46768034       0.00472009      -0.21025182      -0.53964211 
O       6.60167289       6.50362665       7.95034799      -0.05128233      -0.18860312       0.25750181 
O       6.23281672       8.96286773       7.78000099      -0.64973439       1.04187723      -0.21286779 
O       3.74385027       6.83695886       9.67228297      -0.03785037       0.84681808       0.45465593 
O       9.00598899       8.77947320       5.89670058      -0.23161084      -0.57349455       1.26888802 
O       8.42322486       9.59980500       8.71398151       0.60244507      -0.17203263      -0.32864659 
O       4.29919894       5.94704628       7.07312848       1.64336055       1.68383744      -0.10911464 
O       7.11695324       1.16885056       5.28314887      -0.08768921       0.03024844       0.65372071 
O       6.65278580       9.05206042       5.11551690      -1.30496878       0.72939371       0.72935865 
O       7.45676860       6.48888553       2.76855948      -0.05056150       0.29799535      -0.15634048 
O       7.03704313       9.02010392       2.55521500      -0.39635462       0.43870921      -0.44541266 
O       4.66648006       6.94552301       4.56929022       0.35235742      -0.73900353      -1.08037881 
O       9.85943930       8.72992978       0.75366185      -0.20568808      -0.02190678       0.13155689 
O       7.93932170       1.39500251       0.05422040       0.18945911      -1.16804769       0.92638703 
O       5.16242645       6.10329606       1.83071989      -0.84020579      -0.79444843       0.58995440 
O       7.84229655       6.49743840       0.11279193       0.72275075      -0.04644964      -0.07643107 
O       7.44322710       1.32262122       2.66108158       0.61524595      -0.09388203       0.36715492 
O       0.45929338       9.15487322      10.35583924       0.70415433      -0.71820732       0.49364226 
O       4.75713312       1.71162421       4.54213644      -0.03317078      -0.61790651      -1.05670030 
O       1.86197667       1.28187848       5.29477260       0.76373322      -0.74658538       0.62561868 
O       1.51453206       1.37001935       7.94931158      -0.36995947      -0.37923914       0.44310667 
O       1.02772953       3.90780400       7.67454928      -0.02720862      -0.16304212       0.24099272 
O      -1.33420319       1.72635630       9.71891638       0.18323538      -0.32765713      -0.29291271 
O       3.77930420       3.38430507       6.26725835      -0.76541218       0.27280959      -1.07512475 
O       3.23489346       4.38711227       8.78985276       0.28325147      -0.01589417      -0.38637846 
O      -0.79102324       0.87764591       6.99854839      -0.16308303      -0.07476030       0.66103789 
O       1.54712457       3.99385996       5.03994293      -0.15540919      -0.79759537       0.80448700 
O       2.75703518       1.24517736       0.12112078       0.58702068      -0.22492074      -0.57138449 
O       2.44418748       1.34679902       2.67466283      -0.74695429      -0.15672448       0.69114654 
O       1.89253522       3.81157636       2.49196903       0.27079326       0.43221453      -0.40227910 
O      -0.35839398       1.77111156       4.38234505      -0.34513006      -0.06759727       0.20770190 
O       4.51415026       3.41269967       0.83176268       0.76599619       0.10276021       0.00716037 
O       4.17782715       4.31980467       3.56278625       0.11640705       0.41049722      -0.67792346 
O      -0.01729535       0.92287112       1.87590516       0.77668031       0.47824554      -0.21895003 
O       0.46931447       3.87818085      10.29153660       0.45087801       0.15786651       0.34376231 
O      -0.02617652       6.14167147       1.81380470       0.65691913       0.46137810      -0.34465548 
O       4.19403455       9.53841612       3.48367222       0.14045510       0.12987066      -0.37674602 
O       4.64515288       8.71976194       0.81971988      -0.32398924      -0.30797818      -0.51034271 
O       9.87403224       3.62537821       0.81947805      -0.22647672      -0.95122488      -0.68263090 
O       9.31273321       4.31458261       3.42625859       0.36062231       0.25853182      -0.11562417 
O       5.12141316       1.00960245       1.80645555      -0.12109068      -1.25773742       0.58475586 
O       6.99367885       6.46855214       5.30883845       0.57873268      -0.53635710       1.02347210 
O       1.92813251       6.46145089       5.23614237      -0.17211936      -0.14715377       1.54535453 
O       1.51390114       6.57049818       7.97169221      -0.34542264      -0.74308193      -0.40819575 
O       0.93154538       8.95772340       7.79473236       0.28711415       1.31935744       0.01605079 
O       6.93513096       3.84120179       2.58136912       0.27434893       0.04299847      -0.27130600 
O      -1.37451173       6.81217749       9.52569302       0.44138155       0.98350164       1.04208150 
O       3.29214535       9.49237360       8.67144795      -0.32489166      -0.09357612      -0.19227446 
O      -0.85344447       5.99436836       6.96940013       0.23129081       0.50829473       0.03670761 
O       1.37058982       9.04950274       5.16316184       0.49233918       1.20209994      -0.12549159 
O       2.72853392       6.39846481       0.09762478       0.46345076       0.48652812      -0.14000229 
O       2.37340382       6.52141806       2.67362548      -0.09946085       0.42972691       0.19286913 
O       1.85968245       9.10983753       2.49587493       0.27444854      -0.47042860      -0.00959699 
O      -0.39464588       6.88435773       4.35242783      -0.46556871       0.36920789       0.95816022 
O       3.72571292       8.61752123       6.06014796       0.03896075       0.75595335       0.76367156 
O       5.64597240       9.13877834      10.44907614       0.15498143       0.75413547      -0.49071729 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005362220680582784 0.0010567375456737161 0.0032956421916601718 0.0010567375456737161 -0.0013080480783408022 0.0001501780683080106 0.0032956421916601718 0.0001501780683080106 -0.006215189293567304" pbc="T T T" energy=-972.9581746 free_energy=-972.9581746 config_type=crystal 
Hf       0.75043332       0.20082436       3.73003957       0.01840858       0.78504061       0.01850966 
Hf      -0.14914914       5.44804850       9.00770682       0.62683229      -0.38778340       0.25504291 
Hf       0.38598918       7.54926088       6.33431026      -0.23605724      -0.34691246       0.24973756 
Hf       5.99254941       5.36653725       3.59877091      -1.44749437       1.35670494       1.49338871 
Hf       8.58287622      10.14288412       1.51490607       0.09712172       0.42902207       0.13918605 
Hf       8.19324105       8.00196803       4.18083756      -0.91061208      -0.36228513       0.17183322 
Hf       6.41868859       7.61865278       1.06467280      -1.00721931      -0.16593516      -0.18435264 
Hf       1.20105183       7.60873649       1.16415262       0.68380188      -1.45193761      -0.34504908 
Hf       3.06755764       8.01985523       4.16039975      -0.05644283      -0.14442092      -0.62672731 
Hf       3.43739744      10.21274317       1.43803297       0.78700871      -1.27763892       2.33659737 
Hf       0.82146000       5.32913749       3.75257519      -0.21407825       1.31929955       0.47531159 
Hf       5.42880265       2.39891201       6.33188283       0.65006662       0.73070160       0.03357818 
Hf       2.56448434      10.10993743       6.78338363      -0.07891700       0.78909047       0.06461415 
Hf       5.94474607       0.29884890       3.68638402      -0.86728180      -0.86688412       0.23548286 
Hf       5.01234967       5.45696244       8.92771494       0.51912455      -0.15493450       0.45457187 
Hf       7.66899272      10.11906884       6.79524194       0.01828924       0.28251308      -0.76422715 
Hf       7.23120426       2.78310700       9.41224532       0.71040964       1.13134502      -0.44681908 
Hf       2.17825286       2.75731590       9.45328361      -1.37528340       0.48378188       0.12290953 
Hf       3.47365981       5.00968734       1.50553472      -0.32410268      -0.44246798       0.36550221 
Hf       3.02682307       2.85517856       4.16605137      -0.94610680       0.55973560       0.36747577 
Hf       1.24864809       2.38384899       1.13974296      -0.63470944       0.24431685      -0.58660660 
Hf       5.01418934       0.26682019       8.91061557       0.86617262      -1.37282785       0.10244417 
Hf       7.72305698       4.99205179       6.78086507      -0.43164854       0.33669942       0.30989851 
Hf       0.30131286       2.34086164       6.35070051      -0.10905791       0.73567591       0.45240132 
Hf       8.15589563       2.84954722       4.17678854      -0.47644091       0.22505925       0.41133454 
Hf       6.41580163       2.37814960       1.04996915      -0.20365853       0.14604661       0.77129470 
Hf       5.43365110       7.55074753       6.30332271       0.43267917      -0.29896417       0.09637592 
Hf       7.23788927       8.01829856       9.38649453      -0.23279079      -1.01289475       0.15692881 
Hf      -0.10646149       0.18731437       8.97537090      -1.28538192       0.44465745      -0.02286672 
Hf       2.53852753       4.91398971       6.89978755      -0.59229960       1.29495998      -0.54372931 
Hf       8.65616691       4.95801921       1.54186717      -0.50322820       1.23833268      -0.11963513 
Hf       2.15990245       8.05874008       9.41707979      -0.22644994      -1.22751320      -0.15019880 
O       8.83372394       3.45846986       6.10686622       0.62303868      -0.23556778      -0.42843671 
O       3.87164394       1.65118085       9.74868523      -0.63259033       0.40842077      -0.04383669 
O       6.06747247       3.91267227       7.74306738       0.32405011      -0.94252542       0.46558400 
O       8.49135365       4.32918284       8.62862278      -0.88283430      -0.71692828       0.36899198 
O       4.24108441       0.95936070       7.07271612      -0.50099878      -0.30897923       0.37889375 
O       6.52123972       4.01062210       5.23658350       0.18537334      -0.50191891      -1.42668562 
O       6.57521040       1.31351225       7.98516877       0.35386787       0.38396478      -0.44661026 
O       9.39019217       9.41868739       3.43370256       0.04246374       0.87613489      -0.96820055 
O       5.62623955       3.99571276      10.41753564       0.46561718      -0.55682347      -0.00326295 
O       6.59522092       6.46659782       7.90631137       0.23124944       1.00614959       0.43832464 
O       6.03019818       8.99078760       7.83243818       0.84584934       0.25139712      -0.75573337 
O       3.79823883       6.84711361       9.72011429       0.09475878       0.68436047       0.57557936 
O       8.94306023       8.71053515       5.93920632      -0.26193449       0.30989977       1.01119656 
O       8.41897865       9.43396882       8.59829930       0.89690612       0.51134209       0.29400458 
O       4.18412858       6.16797689       7.13630851       0.10177619      -0.18041489       0.12145038 
O       7.06800824       1.25299626       5.36539607      -0.37093174       0.95744392      -0.58204204 
O       6.50580164       9.23936721       5.16408977       0.50395949      -1.09458232       0.23027482 
O       7.45008627       6.57139736       2.58342157       0.46187331       0.31333464       1.00632179 
O       6.91358839       9.20163734       2.56872390       1.16115587      -1.26597282      -0.88675655 
O       4.67756182       6.84925173       4.51322665       0.37121226      -0.24057681      -0.59922405 
O       9.86318259       8.67463471       0.79745538      -1.20448244       0.68660198      -0.33030902 
O       8.01221683       1.26245382       0.04563806      -0.19401875       0.07906983       0.17724299 
O       5.06070430       6.22322822       1.80889757       0.75978249      -0.63834423       0.43281498 
O       7.98930074       6.55832221       0.05754982      -0.18054766      -0.81875446       0.24857296 
O       7.62077542       1.38204716       2.59665745      -1.08154077       0.40422423       1.18862621 
O       0.52203435       9.14793656      10.36747158      -0.12823040      -0.09773767       0.21671613 
O       4.63405717       1.72527882       4.50161584       0.98125932      -0.39687242      -0.10845464 
O       1.88561491       1.28826176       5.50684966      -0.15010116      -0.40677362      -0.68021025 
O       1.43784824       1.15265458       8.16073855       1.05453394       1.08253021      -0.79627103 
O       1.06462681       3.70979645       7.83084136      -0.48219302       0.11982120      -0.46743937 
O      -1.29483167       1.80894959       9.61471677       0.43823810      -0.90852890       0.49366912 
O       3.71949329       3.60479005       6.04798135       1.08867814      -1.29614818      -0.23282644 
O       3.31160941       4.29773869       8.77519425       0.25663885      -0.17917079      -0.22104430 
O      -0.88248087       0.86956714       7.01449542      -0.12348164      -0.60845100       0.42295532 
O       1.35917920       3.93583359       5.15417774       0.38774293      -0.63400180       0.47283356 
O       2.82290643       1.26869600       0.17308765      -0.71920716       0.37376144      -0.19721719 
O       2.26976297       1.40395125       2.85751256      -0.00146220      -0.94866370      -0.89935361 
O       1.83388776       3.81628129       2.53110103       0.31096448       0.77145904      -0.01644330 
O      -0.43005225       1.88786118       4.39484495       1.21456161      -1.83809779      -0.03809242 
O       4.62753218       3.35725384       0.89018258       0.17694735       0.78102189      -0.40055415 
O       4.22626803       4.29832865       3.40090629       0.13906900       0.15241354      -0.18270579 
O      -0.07113552       0.91984350       1.77957406       1.16835632      -0.05349235       0.41413362 
O       0.57136848       3.89295367      10.42213059      -0.05902672       0.49535037      -0.11458160 
O       0.00433868       6.07915296       1.93607751       0.37694157       0.78706976      -0.88951601 
O       4.20415071       9.49555740       3.34126916       0.14351091       0.17371593       0.38265393 
O       4.63101871       8.69755424       0.76208805       0.32400214       0.66062442      -0.07725734 
O       9.82023145       3.55253944       0.80645060       0.27201937      -0.90674011      -0.40513351 
O       9.32440104       4.38217293       3.49668003      -0.84749076      -0.51591138      -0.48740941 
O       5.11897059       0.93189260       1.86047823       0.71891783       0.42211097      -0.30797162 
O       7.05872422       6.48122466       5.28769510       0.16115415       0.17387469      -0.07433523 
O       1.95679561       6.40313920       5.47765278      -0.59885183       0.57985864      -0.54896261 
O       1.45703887       6.51893291       8.07647083      -0.05369289      -0.03539655      -0.18869982 
O       1.03169248       9.04375504       7.82236413      -0.31065759      -0.32867109      -0.77615158 
O       7.01214525       3.93022273       2.52835776       0.18065941      -0.95192207      -0.23404927 
O      -1.35541724       6.82575283       9.74779005      -0.16116303       0.86524577       0.59135574 
O       3.47345306       9.37909871       8.55757183      -0.91444324       0.13490430       0.30129378 
O      -0.85514555       6.17396368       7.16187218      -0.30255105      -0.33360495      -0.56481566 
O       1.43641501       9.13266688       5.13710988      -0.02073210      -0.05007179       0.05163948 
O       2.84102882       6.49785848       0.17547045      -0.77345509       0.07118781      -0.13847384 
O       2.34243356       6.45192974       2.80461513       0.17323068       0.89286189      -0.22042721 
O       1.84128526       9.12898653       2.51647204       0.04357383      -0.36604562      -0.31715908 
O      -0.43414410       6.84652593       4.51088250       0.36482923      -0.03300554      -0.09870188 
O       3.80568348       8.75805215       5.94433186      -0.06539195       0.00147839       0.40969430 
O       5.66804334       9.16527526      10.40253461       0.27894908      -0.00988454       0.25387345 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00451826230393088 0.0022533966250220796 -0.0007620183031945538 0.0022533966250220796 -0.004202151156492522 -0.0006584592961250631 -0.0007620183031945538 -0.0006584592961250631 0.0026492650591047745" pbc="T T T" energy=-972.69948387 free_energy=-972.69948387 config_type=crystal 
Hf       0.75706596       0.26844596       3.64011140       1.35420818      -1.59407778       0.11225286 
Hf      -0.12472935       5.44676654       9.01286649       0.03184283      -0.09958774      -0.91265378 
Hf       0.35355849       7.57050228       6.28676875       0.27254426       0.14195041       0.33030834 
Hf       5.97385768       5.43546959       3.76858648      -0.52272998      -0.42692034       0.75983200 
Hf       8.65520606      10.15525138       1.57222751      -0.99530286       0.33354366      -0.65755075 
Hf       8.10438482       8.04573954       4.21532852       0.40490703      -0.44078125      -0.45793086 
Hf       6.36377486       7.61524768       1.07937100       0.08051871      -0.30521223       0.21830181 
Hf       1.25602066       7.58053380       1.08112344      -0.94872110       0.07488612      -0.22446587 
Hf       3.10013568       8.01570368       4.01834710      -0.69844986       0.11014636       1.73422841 
Hf       3.51330229      10.18394730       1.45924279      -0.18345216       0.28916768       0.14916687 
Hf       0.77408823       5.36179554       3.74232231      -0.47951372       1.07251206       0.12746164 
Hf       5.42795447       2.38041323       6.26844807       0.63740739       0.10593402       0.97763482 
Hf       2.54243592      10.19581696       6.73157553       1.02519783      -0.92262465      -0.54938335 
Hf       5.90441531       0.16798053       3.73668917       0.59941964       0.55448350      -0.43534809 
Hf       5.07809733       5.39488624       8.99890733      -1.39613278      -0.88050863      -0.96136174 
Hf       7.71028796      10.15999340       6.77711877      -0.35528499       1.10244516      -0.81732189 
Hf       7.28732178       2.83389622       9.46329633      -1.08139580      -0.05890078      -0.61372952 
Hf       2.15088329       2.69629141       9.48926565       0.65031321       1.14777010      -0.73676136 
Hf       3.44955200       4.99541658       1.50569097       1.33715552       0.07538160       0.91341328 
Hf       2.98158370       2.84597504       4.14684580       0.76743936      -0.53695164       0.42874941 
Hf       1.25519335       2.42462467       1.08644818      -0.50070636      -0.10242027       0.51330862 
Hf       5.18368830       0.21352400       8.93294696      -1.92975209       0.75564780      -0.66941296 
Hf       7.75824270       4.96567924       6.86807064      -1.52090894       0.07869069      -0.62996214 
Hf       0.33548322       2.35916227       6.31942316      -0.51755209       0.18331000       0.46175622 
Hf       8.15507379       2.83453242       4.19213262      -0.89170856      -1.15959468       0.36291960 
Hf       6.43728460       2.37733469       1.10196857      -0.26216356      -0.73771772       0.60086587 
Hf       5.43060485       7.51980263       6.38231725      -1.02857036      -0.11433546      -1.01288839 
Hf       7.17006535       8.00843162       9.36965800       1.83436235      -0.27599646       0.32792011 
Hf      -0.18077597       0.26692741       8.95991068       1.23807564      -0.53532446      -0.79038143 
Hf       2.48071516       4.89840364       6.87122691       0.53073183       1.03688594       0.03698820 
Hf       8.48699555       5.03000754       1.55400280       1.32405751      -0.26152453       1.21530528 
Hf       2.17913347       8.02188674       9.38408895      -0.16576268       0.32287124      -1.08010591 
O       8.82392692       3.43845805       6.19713523       1.18717267      -1.34181309      -1.07328164 
O       3.86610275       1.65302045       9.70591330      -0.03010658      -0.20732738       0.07087669 
O       6.03151424       3.81521026       7.81425180       0.69112296       0.25163361       0.29534647 
O       8.38478114       4.39069256       8.75992420       0.02986681      -0.20226925       0.81890450 
O       4.37245882       0.83521880       7.01352496      -0.70504635      -0.27197277       0.35146491 
O       6.61502075       3.97101658       5.24710645      -0.59200617      -0.39160567      -0.81460223 
O       6.63302040       1.36523587       7.92230859       0.44069648       0.02265249       0.61522516 
O       9.30103472       9.59851203       3.42241758       0.06155902      -1.10315722       0.41780633 
O       5.66734705       3.88271611      10.46688713       0.28207878       1.12592631      -0.05423739 
O       6.55627615       6.49529177       7.98029975       0.20146967       0.45231099       0.79921867 
O       6.13710525       8.99973458       7.68501984       0.23707908       0.42588567       1.20730254 
O       3.82865696       6.85328181       9.70640220      -0.04711261       0.31494091       0.20771928 
O       8.87899574       8.76183973       5.99756227       1.11971939      -1.15788096       0.22755338 
O       8.39052190       9.66154018       8.70236199      -0.66172598      -1.06099373       0.50796861 
O       4.19923642       6.08249853       7.16923425       0.09083115      -0.02604762      -0.21839584 
O       7.06207185       1.21720419       5.29549756      -0.37663870       0.15127043       0.44185745 
O       6.53190767       9.08307909       5.17512746      -0.00144830       0.36730203      -0.56430628 
O       7.54572291       6.49726281       2.88311467       0.26675955       0.25918838      -1.16999524 
O       6.97404151       9.00932202       2.53287143       0.43453165       0.01768407       0.01386134 
O       4.75886691       6.88715168       4.47220360      -0.13962064       0.14301835      -0.34372635 
O       9.79677496       8.65306445       0.83862293      -0.00078199      -0.13761807      -0.60074300 
O       7.99838757       1.29883721       0.07227227       0.28269834      -0.49596800       0.17427023 
O       5.28337854       6.10717423       1.79185943      -1.08897586      -0.84479214       0.35710476 
O       7.95014982       6.49075443       0.10201402       0.10836093      -0.30483836       0.27334027 
O       7.54327719       1.27622772       2.75051759      -0.21309283       0.98215551      -0.18403021 
O       0.63890604       9.15169722      10.34794459      -0.74591758       0.44114541      -0.59881413 
O       4.61686364       1.62103767       4.43382396       0.35422664       0.66152213      -0.07293861 
O       1.83669079       1.22524004       5.25560983       0.77478527       0.16035658       0.64319865 
O       1.47117534       1.36328873       7.94906954       0.23213949       0.42624337       0.11053851 
O       0.77316185       3.94182681       7.72342226       1.06292260      -0.63040310       0.73591743 
O      -1.24751361       1.86791451       9.64237174      -0.18419706      -0.09584757       0.15506441 
O       3.68284576       3.43763451       6.15546408       0.22298977      -0.44113499      -1.11741257 
O       3.34342655       4.18733723       8.70169856      -0.80671624       0.34600589       0.16507087 
O      -0.79333516       0.81371006       6.97158751      -0.53080537       0.04755471       0.62317703 
O       1.38445967       3.85185455       5.23186223       0.14335714       0.74192641      -1.51651675 
O       2.75510880       1.31502238       0.06588025       0.55725405      -0.83672560       0.14245479 
O       2.40084818       1.33404909       2.60145012      -0.31139471       0.32219908       0.81039143 
O       1.97875316       3.83351183       2.52874943      -0.96862381       0.53719781       0.26782379 
O      -0.39611902       1.64985671       4.33712155      -1.16331009       1.96822483       1.07590389 
O       4.70678156       3.44417261       0.86668459      -0.54926576       0.26989728       0.06055083 
O       4.18899807       4.38337197       3.54700082      -0.16058882      -0.24416446      -0.70636302 
O       0.03681215       0.85845846       1.72986649       0.67247802       0.21693479      -0.01220010 
O       0.57258552       3.93610301      10.49930317      -0.12522119       0.43821812      -0.78608227 
O      -0.00905519       6.13899503       1.83695608       0.12396194      -0.82003450       0.33974840 
O       4.21242385       9.51409690       3.33306159       0.49231250       0.10599254      -0.04510625 
O       4.66505636       8.64019742       0.77184435       0.21089262       0.03139608      -0.08031413 
O       9.74463337       3.47739391       1.06879712       0.18079919      -0.18911825      -1.43821490 
O       9.27642756       4.29243850       3.56183038       1.46563945       1.39151818      -0.64586515 
O       5.30565619       0.78583040       1.75728845      -0.54521223       0.24871864       0.06802503 
O       7.02540355       6.44664918       5.43746316       0.38905532       0.34209237      -0.08261274 
O       1.89455389       6.41938484       5.40965897      -0.14635039      -0.74817048      -0.53351278 
O       1.45110916       6.56040941       7.98161002      -0.15648137       0.13958489       0.29858237 
O       0.96359075       9.17200433       7.65823494      -0.00126661      -0.87626788       0.34054938 
O       6.95568838       3.89504763       2.64601797       0.41964055      -0.89055559      -1.18290716 
O      -1.34664613       6.93888756       9.61032752      -0.41142460       0.78506588       0.68043520 
O       3.38692818       9.46076487       8.58409138      -0.02844106       0.03679922       0.21295324 
O      -0.90674046       6.09467803       7.12511226       0.78628035       0.83262149      -0.48806811 
O       1.52580960       9.07403350       5.01543152      -1.15887134       0.47059784      -0.05968261 
O       2.73063682       6.49332468       0.03593647       0.93823886      -0.64219311       1.11507882 
O       2.38691558       6.53798850       2.73750663      -0.37583160      -1.18437652      -0.75887227 
O       2.01360725       9.00941782       2.40005079      -0.87155515       0.37875285      -0.08820518 
O      -0.41487649       6.87509021       4.46107445      -0.27610436       0.30916359       0.06462481 
O       3.74327495       8.68188183       5.87947458       0.54171858       0.33769856       1.43121746 
O       5.71380585       9.15419671      10.33587532      -0.22296126      -0.18948017       0.43610684 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006382139320504058 0.0021263834746876368 -0.003646722511206425 0.0021263834746876368 -0.004273100481631994 6.562338922877385e-05 -0.003646722511206425 6.562338922877385e-05 0.0004552809225463391" pbc="T T T" energy=-973.10150053 free_energy=-973.10150053 config_type=crystal 
Hf       0.75453211       0.22357973       3.69688177       0.50781328      -0.51863441      -0.26059798 
Hf      -0.09140861       5.40956326       9.04033340      -0.28213054       0.33630514      -0.07543075 
Hf       0.37330262       7.54394511       6.30455443      -0.05570475       0.76245928       0.65891025 
Hf       5.86505885       5.39386664       3.68608412       0.81883300       0.27863713       0.72624093 
Hf       8.60921957      10.09319503       1.51702562      -0.94444553       0.76057555      -0.15317557 
Hf       8.11528137       8.02251556       4.17828361      -0.29807870      -0.45086264      -0.77838548 
Hf       6.33504589       7.46101205       1.02167627       0.56468023       1.78281429       1.28709562 
Hf       1.19303059       7.55651954       1.17072273      -0.12008505      -0.00185670      -1.61084864 
Hf       3.04063232       7.99868126       4.14539977      -0.87761150       0.09123995      -0.27341736 
Hf       3.50351558      10.12360545       1.57210014      -0.79600825       0.30293223      -0.74013349 
Hf       0.72669785       5.44058608       3.81971068       1.08859023      -0.71405907      -2.10908235 
Hf       5.46808824       2.44557057       6.33027677       0.05320680      -0.16635699      -0.38997276 
Hf       2.57652479      10.17647376       6.80090312      -0.02479495       0.39860209      -0.11933020 
Hf       5.97398922       0.22910030       3.67951422      -0.43214400      -0.36909171       0.20325328 
Hf       5.06337196       5.36950275       8.94762541      -0.39569315      -0.21164401      -0.15251763 
Hf       7.70852125      10.19312110       6.77904763       0.67161444      -0.18882305      -0.62096038 
Hf       7.33384172       2.83804413       9.41174844      -0.64151257       0.42193956      -0.24351406 
Hf       2.12706204       2.77754767       9.49898992      -0.62919165       0.57078493      -0.26112075 
Hf       3.45240850       5.02657884       1.56584483      -0.83788415      -0.69915373      -0.14631797 
Hf       2.99990906       2.77938676       4.20640512       0.27392117       0.63857502      -0.68138707 
Hf       1.22013555       2.38898855       1.13251572       0.31926686       0.27159823       0.50481463 
Hf       5.08186566       0.22093394       8.93591327      -0.43061286       0.85069080       0.25461136 
Hf       7.73845977       5.01429190       6.68577376      -0.75578733       0.68463623       1.48396006 
Hf       0.31378012       2.42644526       6.31321857       0.49507802      -0.29981441       0.93719173 
Hf       8.19322128       2.78860939       4.14183492      -1.64106555       1.31921337      -1.13462015 
Hf       6.41321234       2.36869236       1.07053192      -0.20885348       0.10576417       0.22831402 
Hf       5.42992334       7.58462373       6.37586475       0.10473309      -0.33054981      -0.95024919 
Hf       7.21847528       8.04907201       9.34457178       0.96453539      -0.47876038       0.56527914 
Hf      -0.10027902       0.23168177       8.97647934       0.57283895       0.15733067       0.76577465 
Hf       2.48341262       5.02603314       6.81932398       1.76360544      -0.89442892       0.52549682 
Hf       8.61838627       5.00021461       1.45200232      -0.55934947       0.16176932       2.06892767 
Hf       2.17420427       8.04318955       9.37839742      -1.09870561      -0.52036977       0.81539956 
O       8.84730254       3.52119784       6.01278003       1.40281801      -1.19407693       0.12838478 
O       3.81713053       1.75732052       9.73263403       1.18783383      -1.19738710      -0.43737563 
O       6.15451717       3.92226085       7.73170596      -0.02848524      -0.39093896       0.21120000 
O       8.39605239       4.44142235       8.66919106       0.25781224      -0.58659476       0.38683672 
O       4.33083501       0.87166993       7.01133999      -0.27984148      -0.29066549       0.40475785 
O       6.54796902       3.98116343       5.15284953       0.20384717      -0.84077415      -0.38555067 
O       6.61701236       1.38112284       7.92281598       0.60264937       0.13688723       0.14936054 
O       9.39186239       9.45647762       3.34178464      -0.35728634      -0.45387529       0.91643099 
O       5.67525554       3.93155497      10.44503047       0.07445316      -0.25643268      -1.04132795 
O       6.61212065       6.59417642       7.90678915       0.15225266       0.29521773       0.68005015 
O       6.14220236       9.12970886       7.69326836      -0.15617737      -0.33607990       0.42804215 
O       3.79216887       6.84516564       9.75578121       0.64924407      -0.52406344      -0.92774547 
O       8.89011055       8.57712355       6.05221015      -0.40746933       0.92661219       0.41262393 
O       8.42165551       9.60720818       8.68846362      -0.19802345      -0.34497056      -0.01511689 
O       4.35348959       5.99786594       7.06441457      -1.07706337      -0.01583663       0.04652978 
O       7.21825544       1.16577503       5.26076519      -0.84106208       0.91499243       0.49412022 
O       6.52329958       9.12182512       5.11504847       0.29903756      -0.09118661       0.35068077 
O       7.43411458       6.53841981       2.69655098       0.43011124      -0.04853492       0.09968831 
O       6.97454722       9.04256701       2.54664873       0.32841436      -0.16555565      -0.43709973 
O       4.68093826       6.88888156       4.49077829       0.39214554       0.04533988      -0.23055297 
O       9.72210009       8.64988274       0.76097257       0.70451146      -0.56527926      -0.01344013 
O       7.98989426       1.22335369       0.07182432      -0.02568131       0.33902614      -0.19236320 
O       5.10887831       6.15313519       1.86788282      -0.23723005      -0.97723190       0.23743642 
O       7.98730160       6.42954967       0.04996294      -0.20254499       0.28370655      -0.28883390 
O       7.55186428       1.25390147       2.69858012      -0.20170560       1.01994718       0.12014156 
O       0.56370100       9.15416772      10.32157153       0.00850424       0.16211679       0.47198153 
O       4.74968459       1.76889780       4.42568558       0.79746064      -0.48388592      -0.24458362 
O       1.93559674       1.35877238       5.39449140      -0.77213898      -0.57589620       0.11384981 
O       1.53960518       1.26674127       8.11151958       0.09790746       0.01861515      -0.65850688 
O       0.99755914       3.78074274       7.87456789      -0.20198460       0.37890816      -0.97052855 
O      -1.23043800       1.85426707       9.69825196      -0.55047681      -0.62577204      -0.82768004 
O       3.74606514       3.43647049       6.06199732      -0.26472257       0.56904608       0.76435640 
O       3.32288268       4.30330509       8.81991152      -0.05790535       0.44957487      -1.17989005 
O      -0.68487766       0.80287121       7.04145746      -1.03338476       0.33883201      -0.62372208 
O       1.47558092       4.02624007       5.20517520      -0.84316193      -0.75238921       0.36231081 
O       2.68866834       1.29695428       0.16435694       1.28698288      -0.78493591       0.14286575 
O       2.36334152       1.23133883       2.72074433      -0.28211470       0.95663911       0.74111393 
O       1.91457415       3.88113097       2.59065363      -0.49082746      -0.93120951      -0.21838641 
O      -0.46198648       1.74760965       4.39889618       1.72746600      -0.51733733       0.41948341 
O       4.63529896       3.50580275       0.85426250       0.65963081      -0.46366102       0.56015951 
O       4.15629395       4.36208361       3.53143413       0.12540735       0.05435086      -0.67756442 
O      -0.00036225       0.85951619       1.78277064       0.30981175       0.30653992       0.17222708 
O       0.52392339       3.89270077      10.46972901      -0.22141028       1.32595733      -0.28027630 
O      -0.01107015       6.06263280       1.94159987       0.29114943       1.04300083      -1.32196139 
O       4.11425179       9.56417085       3.49015276       1.05178535       0.37926372      -0.25204937 
O       4.56373679       8.53440874       0.87537172       0.59520257       0.70013623      -0.20761303 
O       9.79944290       3.55996081       0.79192336       0.63839399      -0.92071294      -0.21718721 
O       9.32826522       4.42702805       3.44903677      -0.80879830      -1.61017650       0.46366769 
O       5.25237858       0.79279876       1.74531915      -0.44440357       0.07405428       0.33127501 
O       6.99690059       6.44669667       5.35693417       0.39789746       0.57647824      -0.40669937 
O       1.94742600       6.50015017       5.32023914      -0.25572622      -0.28670385       0.45541518 
O       1.56780101       6.52735258       7.93772671      -0.41826274      -0.12118299       0.55908490 
O       1.12350398       9.01177548       7.77866584      -1.01432755       0.05636815      -0.50107798 
O       7.05115528       3.83184533       2.50403074      -0.14382598      -0.08207368       0.08231473 
O      -1.30226579       6.94273820       9.71574310      -0.11135168      -0.20144398      -0.20715192 
O       3.45094290       9.43390367       8.68942925      -0.15926676       0.57905238      -0.45173435 
O      -0.71396546       5.98848890       7.10742287      -0.32674875       0.35613192      -0.80878330 
O       1.42010053       9.16627117       5.12321404      -0.26190664       0.25485696       0.02497990 
O       2.85513137       6.56261787       0.11373299      -0.62023786      -1.33756018      -0.11660655 
O       2.27609396       6.51957223       2.62234156       0.81023958      -0.02845753       1.73761752 
O       1.84001209       8.99825999       2.53064237       0.06912427       0.49709791      -0.24899054 
O      -0.43717757       6.87643492       4.45874983      -0.59594631       1.01969919       0.71404304 
O       3.64710939       8.61171098       6.04280089       0.85265486       0.08382212       0.68904147 
O       5.63156861       9.11330674      10.32548688       0.19749373      -0.28547350       0.13037837 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011168490694281387 0.0022780784419245475 0.0022684073296396464 0.0022780784419245475 0.002633344623324565 -0.00017413547693680094 0.0022684073296396464 -0.00017413547693680094 -0.009056772512854782" pbc="T T T" energy=-972.86215525 free_energy=-972.86215525 config_type=crystal 
Hf       0.80998525       0.20959927       3.76276884      -0.56174360      -0.03302693      -0.36282301 
Hf      -0.06904843       5.43049960       8.95962915      -0.37693485       0.60956631       0.74834456 
Hf       0.34562994       7.58715117       6.37842258      -0.59113431       0.23199661      -0.95738288 
Hf       5.93604495       5.38142125       3.70778757       0.16106421       0.87597849       0.90381182 
Hf       8.61600189      10.23565605       1.52540886       0.74207092      -0.84563734       0.49702652 
Hf       8.20078833       7.96972081       4.12654681      -0.66655625       1.85716996       0.19979145 
Hf       6.44198162       7.64421364       1.09425232      -0.28889301      -0.35733436       0.20206133 
Hf       1.24619937       7.61944141       1.07552054       0.03987416      -0.35876052      -0.61928099 
Hf       2.95750821       7.97802671       4.12165343       1.45510543       0.71444179      -0.48844369 
Hf       3.48617750      10.24072278       1.44165798      -0.60735696      -1.15006800       1.41479000 
Hf       0.78663024       5.46565444       3.63620897      -0.95176383       0.00810773       0.76168819 
Hf       5.46746597       2.36681712       6.31478757      -0.36342736       0.10213126       1.09128873 
Hf       2.61688167      10.14423226       6.75200841      -0.33967943      -0.19957774      -0.23737291 
Hf       5.85465410       0.27951692       3.74646017      -0.02185962      -1.58210427      -0.30270851 
Hf       5.01943150       5.41628339       9.02176658       0.31692118       0.13434635      -0.40512500 
Hf       7.73808527      10.14500592       6.73650293      -1.19483281       0.33834420       0.59924398 
Hf       7.24934776       2.81168509       9.40014056      -0.55396885      -0.16690373       0.51962557 
Hf       2.14299340       2.80779839       9.38580265      -0.00993797      -0.55680665       0.29515040 
Hf       3.53494817       4.92120597       1.51812335      -1.02341490       1.06578584      -0.96097975 
Hf       2.97265134       2.88581559       4.16232650      -0.68018256      -1.14491137      -0.07727270 
Hf       1.15767884       2.40117336       1.06009161       0.26955487      -0.58468057       0.90336180 
Hf       5.04485101       0.22015571       8.92375055       0.82065270      -0.17570339       0.12500731 
Hf       7.68435342       4.94528580       6.88665573       0.29805547       1.63328958      -0.52939603 
Hf       0.30655962       2.37395670       6.42002254       0.32562277      -0.62060115      -0.90889258 
Hf       8.09100966       2.78308570       4.26763498       1.29550869      -0.10838444      -0.95901976 
Hf       6.39236232       2.34973516       1.11789187       0.49401124      -0.02502548      -0.51383164 
Hf       5.44642923       7.55224944       6.33429755       0.65703633       0.17327056      -0.51115622 
Hf       7.28509927       8.03018235       9.43482221       0.41935603      -0.49111010      -0.50547958 
Hf      -0.13661900       0.20401833       8.94279903       0.08563387      -0.58705836       0.56573742 
Hf       2.56458812       4.90327420       6.78322675       0.01957355       2.10647420      -0.14164363 
Hf       8.55342586       4.91326613       1.63005192       0.71144996       0.82668344      -0.52884768 
Hf       2.19753970       8.04103699       9.34089563      -1.42011675      -0.73726056       0.85642807 
O       8.97167417       3.63645697       6.14141052      -0.12374520      -1.08940809      -0.46462500 
O       3.84673830       1.66762806       9.69406538      -0.54590256       0.02860127       0.19294416 
O       6.10280961       3.82466522       7.81173365       0.33493670       0.57951927       0.01192625 
O       8.50666415       4.31152204       8.82283131      -0.74310498      -0.24026638      -1.03211716 
O       4.27781764       0.86299954       7.12576592      -0.11835876       0.77914624      -0.84176159 
O       6.58677652       3.86314433       5.18680474      -0.57047836       0.78333423       0.33627728 
O       6.57879957       1.37033771       7.95888622       0.29564418      -0.03058448       0.13354642 
O       9.49330849       9.34154340       3.29154396      -0.35785052       0.71563250       0.42426394 
O       5.61692254       3.92272301      10.48702956       0.38910923       0.61522879      -0.68169284 
O       6.48551689       6.56406970       8.03743155       0.84183318      -0.23471777       0.18058178 
O       6.16260271       9.12382203       7.74297078       0.17179634      -0.51078211      -0.48798010 
O       3.82923281       6.88200505       9.65436771       0.30221564      -0.07724672       0.80918182 
O       8.88251722       8.82038333       5.95883810       1.85214660      -1.36845468      -0.13652869 
O       8.56439200       9.33944716       8.57099200      -0.33481122       0.50516687      -0.07929781 
O       4.28777627       6.08045278       7.03882864      -0.77703174      -0.49793829       0.68921483 
O       7.00539404       1.28961488       5.36845531       0.14872480      -0.39565683       0.26486713 
O       6.57161568       9.12522265       5.02882617      -0.13040168       0.10336318       0.43692307 
O       7.51942998       6.58024261       2.82194372      -0.87461248      -1.31306936      -1.21788044 
O       7.07641554       9.11582951       2.44154333      -0.21004484      -0.32550253      -0.20620419 
O       4.66821370       6.70749422       4.56466387      -0.13882187       0.43475194      -0.93126661 
O       9.86222651       8.75203025       0.78816363      -0.49385475       0.39962514      -0.63750446 
O       8.00044281       1.32080530       0.05523623      -0.54100526      -0.75801001       0.84183825 
O       5.19087659       6.11614625       1.89801299       0.18024309       0.16266149      -0.68838017 
O       8.02371980       6.50383446       0.23603835      -0.87310647      -0.43224006      -0.43490378 
O       7.39668301       1.31403021       2.73942088       1.10319533       0.38997985       0.34077113 
O       0.47264408       9.08500773      10.33077907       0.98997233       0.34512847       0.41047351 
O       4.65218982       1.72215789       4.52797777      -0.00943252      -0.19857021      -0.52027941 
O       1.92099038       1.27285056       5.45250451      -0.30180449       0.40258873      -0.69965054 
O       1.45089495       1.23299494       7.96578616       0.53542248       1.11760516       0.66837309 
O       0.95041377       3.81717351       7.83352163       0.49131310      -0.22530932      -0.26589121 
O      -1.43397315       1.57785113       9.73066864       0.31977550       0.58543620       0.43826189 
O       3.75868341       3.55256198       5.96426880       1.12918323      -0.64241021       0.37050700 
O       3.34568223       4.30365243       8.60084915      -0.48210916      -0.78944850       0.51740091 
O      -0.88024289       0.91160919       7.14469858      -0.45964481       0.40209170      -0.27257999 
O       1.46224417       3.97345924       5.21994763      -0.68567731       0.00815518      -0.91124507 
O       2.76744442       1.26696809       0.06740588       0.16912620       0.13191791       0.11040966 
O       2.33333556       1.34711706       2.77734217       0.33106476       0.63469106      -0.34493471 
O       1.72285064       3.93176402       2.48424018       1.08315897      -0.40834015       0.16388336 
O      -0.52357141       1.58630021       4.57040811       0.21446979       0.51059891       0.46356993 
O       4.75729031       3.47487780       0.76055087      -0.82419137       0.46306965      -0.26845906 
O       4.19886902       4.22012589       3.29273273       0.42402386       0.02120741       0.71479453 
O      -0.03038946       1.00266329       2.00641095      -0.02513381       0.04866743      -0.87926664 
O       0.59052805       3.87360299      10.40658374      -0.00320494       0.40299588       0.04940874 
O      -0.00812088       6.15675205       1.86994010      -0.49585464      -0.63723809       0.21327490 
O       4.20635657       9.54279895       3.33619843      -0.21337224      -0.66787652       0.10994481 
O       4.71641692       8.76374022       0.70910451      -0.14405990      -0.04520914      -0.43888477 
O       9.72117445       3.40954944       0.88863868      -0.03499334       0.52439618      -0.60626169 
O       9.25836972       4.25752617       3.48241971       1.43878041       0.86349277       0.01431497 
O       5.16351432       0.90726157       1.85073369      -0.40445766       0.40434713      -0.56810674 
O       7.13509429       6.43972904       5.35870993      -0.83716766      -0.49217200       0.81111127 
O       1.90206268       6.58222176       5.29755084      -0.08559410      -1.34451517       0.07639247 
O       1.40251774       6.45117218       7.85552466       1.26723642       0.86249236       0.84425749 
O       0.99543813       9.06668144       7.81884318       0.56322528      -0.53678364      -1.00178058 
O       7.04104710       3.79446635       2.60783973      -0.87305032       0.26478095      -0.42748781 
O      -1.35817861       6.81835681       9.73059051       0.23403441       0.32654224       0.45711647 
O       3.47340326       9.32052612       8.51245187      -0.21898532       0.53336103       0.15066743 
O      -0.90042928       6.22391835       7.13109507      -1.15803677      -1.02615751       0.35083155 
O       1.53663517       9.11616127       5.15078669      -1.05630391       0.47077145       0.05092998 
O       2.85072105       6.47000169       0.03855972       0.14834035      -0.45441004       0.05802907 
O       2.37104526       6.56217763       2.60163168       0.17823178      -0.32831433       0.93916891 
O       1.87080815       9.11737008       2.51235088       0.30426956      -0.36908362      -0.39718556 
O      -0.47234217       6.90786213       4.49099502       1.43017956      -0.96318973       0.33886236 
O       3.84374492       8.73416466       5.85139465       0.20748754       0.19800762       1.03581915 
O       5.72886031       9.11099012      10.31469553      -0.47234946       0.46479438       0.67668072 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.001962268241331711 -0.002150006350910298 -0.0014681114051118228 -0.002150006350910298 -0.0039603602109932875 0.0024248691059167403 -0.0014681114051118228 0.0024248691059167403 -0.0011897206745210298" pbc="T T T" energy=-973.02774843 free_energy=-973.02774843 config_type=crystal 
Hf       0.80352035       0.19112200       3.60085759      -0.52554823       1.04075886       0.69448996 
Hf      -0.09648061       5.49421881       8.93553955      -0.41284137      -0.66851164       0.83487890 
Hf       0.37679419       7.60753953       6.17584152      -0.79707952      -0.24154377       0.35379884 
Hf       5.92802172       5.36504957       3.78435353       0.43763929       0.23973610      -0.87771506 
Hf       8.51652057      10.16857101       1.53261017       0.44794156       0.24649545      -0.58258355 
Hf       8.09831096       8.04160867       4.12171265       0.73292352       0.02799746       0.58715058 
Hf       6.35061182       7.55255814       1.12026952       0.50628433      -0.16100557      -1.15665073 
Hf       1.25513098       7.60142889       1.07997635      -0.38506347      -0.54630223      -0.89185527 
Hf       3.06773031       7.99193381       4.10256116      -0.74086902       0.64077596       0.20776409 
Hf       3.50559788      10.18287429       1.41778459      -1.05924006       0.45841972       0.66035086 
Hf       0.87710421       5.42517083       3.61444398      -1.25959610      -0.59382734       1.17505411 
Hf       5.55066200       2.34128473       6.39400451      -1.03788696       0.50389562       0.01922314 
Hf       2.55319855      10.16065257       6.76931159      -0.26401785       0.07955565      -0.15090519 
Hf       5.91396103       0.26283644       3.67150343      -0.56920838      -0.24224820       0.21546476 
Hf       5.06634999       5.40086430       9.06076102      -0.39938872       0.33267179      -0.54287441 
Hf       7.65788700      10.16303122       6.77783796       0.84249284       0.12975775      -0.52723670 
Hf       7.28042519       2.84808084       9.44285694       0.67982054       0.01762711       0.37852840 
Hf       2.08118193       2.76053731       9.44078402       0.16050975       0.51734861      -0.08767846 
Hf       3.47990549       4.93018672       1.56804334      -0.19524668       0.27717411      -0.86840153 
Hf       3.08105093       2.82903117       4.27633503      -1.92554860      -0.65013810      -0.21634019 
Hf       1.21678233       2.39436511       1.08815883       0.31283677      -0.21283706      -0.45021565 
Hf       4.99337472       0.17915113       8.89171358      -0.12471876       0.67432225       1.15832287 
Hf       7.70158532       5.03426569       6.80177037       1.04907408      -0.50528414       0.44617547 
Hf       0.34995656       2.38498029       6.41357949       0.38987750       0.21427824      -1.04035944 
Hf       8.19697952       2.77162915       4.25412828       0.02807740       0.61383560      -0.43891823 
Hf       6.37096278       2.36582027       1.08426920       0.10814610       1.00575528       0.11491965 
Hf       5.44552635       7.57971702       6.35496806       0.07617032       0.11701133       0.09405594 
Hf       7.23904406       8.02202618       9.43888709      -0.24716888      -0.20917372       0.00352486 
Hf      -0.15501429       0.18722917       8.85808850       0.41137221       0.05788384       1.07774305 
Hf       2.56253718       4.96833687       6.87894893       0.28984456       0.03310194      -0.52552385 
Hf       8.56875604       4.99564288       1.67847138       0.70997428      -0.27345902      -1.12078894 
Hf       2.10541647       7.97382903       9.44403742       0.38601834       0.40579671      -1.45588521 
O       8.87624569       3.47704636       6.15280428      -0.15065599      -0.33464629      -0.09640779 
O       3.82866437       1.77167866       9.67030067       0.17004828      -0.63557137      -0.08424845 
O       6.25311028       3.80947004       7.82033751      -1.00134216       0.16138706      -0.03234287 
O       8.46151995       4.43146044       8.73806828      -0.44024190      -0.33063532      -0.06140299 
O       4.23509576       0.89852334       7.10878511       0.60435196       0.37288073      -0.73319235 
O       6.56025710       3.98512744       5.18219121      -0.21875642      -0.58044187       0.67898544 
O       6.62090992       1.28091914       7.95922581       0.14413578       0.52622205       0.03261804 
O       9.24560485       9.48255186       3.34551665       0.92710399       0.79397779      -0.01052499 
O       7.41875270       4.02330512       0.06623024       0.33655346      -0.62953044      -0.99520124 
O       6.52991201       6.56773395       7.98134582       0.94512999      -0.02637514       0.28404704 
O       6.06436149       9.11191081       7.75251361       0.37463227      -0.85605637      -0.32694797 
O       3.86793935       6.90553408       9.68459196      -0.03521523      -0.05850748       0.47616139 
O       8.95408632       8.77012807       5.94556904      -0.42854127      -0.57962905       0.22864259 
O       8.41002913       9.45396993       8.60926789       0.21552697       0.38657322      -0.22558929 
O       4.29757413       6.13338303       7.10964710      -0.85806925      -0.85606676      -0.32640999 
O       7.01240880       1.28109027       5.26869681       0.50202401       0.14818248       1.39313971 
O       6.50280395       9.28244922       5.16714439       0.37784664      -1.49573110      -0.25372080 
O       7.61972420       6.62160752       2.70508040      -1.05783525      -0.81578131       0.23452564 
O       6.86407998       9.04288350       2.46872315       0.51005189       0.55374029       0.63440197 
O       4.67937975       6.86380032       4.41786380       1.08929406      -0.01845362       0.43312407 
O       9.78941209       8.71399273       0.77203830      -0.00275075       0.08548747       0.14647395 
O       7.86402427       1.29869330       0.13571166       0.87061595      -0.27369370      -0.52943258 
O       5.27125624       6.01466923       1.80420759      -0.51831541      -0.35681189       0.45542899 
O       8.02426648       6.44395082       0.14779836      -0.39561682       0.52533363      -0.07877809 
O       7.51045884       1.31058821       2.76970751      -0.18825229       0.03583912      -0.47824249 
O       0.62663756       9.21396917      10.28857858      -0.59944460      -1.05030582       0.31768289 
O       4.75391541       1.75906401       4.44937364      -0.00850363      -0.19416099       0.35681255 
O       1.89889507       1.24486991       5.37162134       0.40185978       0.07628907      -0.24459367 
O       1.45662706       1.23440844       8.05370031       0.68061778       1.02249688      -0.76047610 
O       1.00823131       3.79889604       7.84601712       0.06934358       0.41167601       0.05043115 
O      -1.28900884       1.73224697       9.60669316      -0.69166268       0.42952139       0.32308403 
O       3.69175562       3.37489323       6.26194925       0.73601474       0.09938192      -1.33112091 
O       3.37792197       4.29989250       8.67853080      -0.51949428       0.01162501       0.44254684 
O      -0.79947162       0.89218131       7.03057381      -1.61287826      -0.78325823      -0.09875090 
O       1.41944195       3.94155719       5.16026787       0.43986871       0.17728215       0.32751621 
O       2.75598371       1.22912362       0.03858377       0.22973244       0.99068573       0.46048949 
O       2.33113379       1.31799483       2.62547357       0.14604908      -0.10634813       1.05841000 
O       1.90240034       3.78645023       2.56065430       0.11173265       0.71152724       0.07447890 
O      -0.37536994       1.75607306       4.51282794       0.04455696      -0.73914550      -0.85516677 
O       4.63274467       3.44271973       0.77825391      -0.32977122       0.41285831       0.43774783 
O       4.20004395       4.30115055       3.47809189       0.46584015       0.42980206       0.09120510 
O      -0.05351794       0.95464309       1.81375294      -0.19269649      -0.59759859       0.07866626 
O       0.45771153       4.07143203      10.47915591       0.62090299      -1.10401483      -0.37090405 
O       0.14118076       6.04018135       1.73882412      -0.41227858      -0.26808014       0.33862307 
O       4.15505229       9.51860525       3.36841706       0.61606857       0.33637918       0.03393883 
O       4.64183908       8.66945286       0.73664965       0.64675709      -0.25815326       0.63320632 
O       9.81337068       3.47893937       0.79766539      -0.72411445       0.38937632       0.34123604 
O       9.24940074       4.37684250       3.57499076       1.25592948       0.53924126      -0.82166371 
O       5.11943481       0.96566553       1.80020424       0.24401596      -0.51318194       0.23579101 
O       7.10040528       6.45974750       5.37881676      -0.64957372       0.81879159      -0.38090257 
O       1.88285771       6.43775322       5.16340944       0.49206546       0.38113135       1.58762485 
O       1.48134166       6.52775832       7.96013894       0.55533635       0.36002141      -0.24763295 
O       0.98063102       9.11358416       7.68598053      -0.09808548      -1.32796200      -0.15755691 
O       7.02157531       3.85128121       2.60297050      -0.41604348      -0.20685939      -0.04331800 
O      -1.26614522       7.00616711       9.65732226       0.05447070      -0.00845134      -0.09520500 
O       3.36926093       9.44110924       8.60096477      -0.80681735      -0.37726228       0.41606851 
O      -0.73714482       6.01770953       7.00393645      -0.79382578       0.55085231      -0.51291065 
O       1.36211689       9.15556044       5.08115794       0.98558219      -0.37424077      -0.58089368 
O       2.83985285       6.47140230       0.11878661       0.19533134       0.49313505      -0.17524132 
O       2.46922551       6.53864735       2.68676192      -0.21293500      -0.02200188      -0.23127396 
O       1.90367842       9.06414651       2.37038906      -0.35574376       0.22435685       0.85078017 
O      -0.39424319       6.97589124       4.23994882      -0.07007402       0.24707947       0.93710874 
O       3.77925968       8.67472064       6.03820027      -0.71937313       0.04745355      -0.60947572 
O       5.60219490       9.14767794      10.36948528       0.65279479      -0.26702804       0.33312906 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01100162379800468 0.0010579827205028207 -0.0038541088977548012 0.0010579827205028207 -0.004588348484531825 -0.0035221422886462335 -0.0038541088977548012 -0.0035221422886462335 -0.014712229459589929" pbc="T T T" energy=-973.25954606 free_energy=-973.25954606 config_type=crystal 
Hf       0.77739113       0.23189456       3.76463511       0.54727356       0.82734018      -0.51629608 
Hf      -0.05052124       5.45522549       8.93990979      -0.91578217      -1.22332799       0.17243129 
Hf       0.34157873       7.58620244       6.33051461       0.27453998      -1.17346878       0.26169899 
Hf       5.95073297       5.40731501       3.71930734      -0.57140770       0.12297864       0.42655161 
Hf       8.61876304      10.22583816       1.52471730       0.21637799      -0.37990010       0.22787730 
Hf       8.23819455       7.98461239       4.13459372      -0.55603852       0.52209891      -0.09082880 
Hf       6.41840266       7.62369384       1.09214916      -0.54545302       0.33577491       0.41690667 
Hf       1.24447134       7.58749416       1.11317616      -0.17556220      -0.08065836      -0.73814203 
Hf       2.97568062       7.95171464       4.11936409       0.84605897       0.98755038       0.34793559 
Hf       3.47696425      10.23399621       1.47411183      -0.53396983      -0.90835338       0.21723050 
Hf       0.79487457       5.49494104       3.66705968       0.30598458      -2.69007886       0.28430601 
Hf       5.47780209       2.34876959       6.34933827       0.04493564       0.73469860       0.35961528 
Hf       2.64958854      10.13501649       6.77388207      -1.70788404       0.16499344      -0.79893662 
Hf       5.85695490       0.25532073       3.73588797       0.27023709      -0.83539462       0.06693982 
Hf       5.02822368       5.47424451       9.03773356      -0.03120988      -1.18075306      -1.26538253 
Hf       7.69132091      10.16454332       6.76804238       0.04742103      -0.81246001      -0.62751120 
Hf       7.19888001       2.78821456       9.44783128       0.19115369       0.53401011      -0.79299017 
Hf       2.15192144       2.80468899       9.37616237      -0.51141452      -0.01729855       0.05673067 
Hf       3.55600183       4.97241527       1.49118231      -1.04896245      -0.29469440       0.21101243 
Hf       2.98848889       2.85048318       4.18275675      -0.21408855       0.05116312      -0.71847063 
Hf       1.13839616       2.37960726       1.04307887       1.96745245       0.75917605       1.35578721 
Hf       5.02977681       0.20592558       8.93904759      -0.03891945       0.07947224       0.44719350 
Hf       7.65567705       4.92248429       6.88201594       0.83420908       0.47386089      -0.27484409 
Hf       0.28986843       2.37404076       6.36683487       1.08050428       0.24182949      -0.06362666 
Hf       8.11630515       2.79935960       4.26530983       0.72999444       0.70195827      -0.87913535 
Hf       6.36754828       2.38056296       1.12606458      -0.13386004       0.04775086      -0.38408231 
Hf       5.45476901       7.57519755       6.32696898       0.36615141      -0.88804989       0.10471656 
Hf       7.27474148       7.99775777       9.44211014      -0.16065939       0.24256925      -0.61657259 
Hf      -0.16802839       0.19359365       8.93413279       1.15755609       0.41172743       0.24450413 
Hf       2.57901665       4.97119753       6.74018916       0.01397704      -1.06370987       0.93097066 
Hf       8.59057120       4.91177429       1.57628598      -0.55439823       1.32292167       0.26752506 
Hf       2.20147772       7.98665637       9.35107721      -0.93543984       0.60334321       0.65007352 
O       8.90028151       3.47104929       6.02795201      -0.17177803       0.35460809       0.93682789 
O       3.79362275       1.60024357       9.79756188       0.33388334      -0.14266037      -0.60145464 
O       6.22181686       3.78706576       7.85277613      -1.29006164      -0.05273481      -0.20040548 
O       8.49365864       4.22266403       8.72629135       0.40480998       0.31722050       0.05385553 
O       4.25898784       0.88902328       7.08853242       0.12768979       0.22289674       0.06736763 
O       6.57143153       3.92593382       5.27912452      -0.16396179      -0.35242080      -1.26587370 
O       6.59126026       1.29313855       7.95369169       0.21956649      -0.20052615       0.51954431 
O       9.49137689       9.42628124       3.35452531      -0.53823284      -0.22267697       0.19073086 
O       5.64509351       4.05097656      10.43512601       0.09673134      -1.35847053      -0.25437501 
O       6.67599865       6.52419102       8.02393000      -0.83177840      -0.33009069       0.21120523 
O       6.21115191       9.02256040       7.69903644      -0.79169258      -0.01670941       0.74198603 
O       3.87254622       6.89708137       9.74490617      -1.10315813       0.41213598      -0.35283091 
O       9.04794115       8.70581245       5.91082187      -1.52628463       0.76486228       0.53375602 
O       8.49349959       9.43239271       8.57325971       0.02124785      -0.05981517       0.44572555 
O       4.24065303       6.06524887       7.14363203       0.81034019       0.82098427      -0.29208399 
O       6.96419091       1.20923878       5.37879807       0.63437417       0.45512902      -0.15789290 
O       6.57031517       9.13145329       5.14527283       0.46003321      -0.54500398      -0.54434035 
O       7.40522633       6.52070124       2.71878188       1.11634402       0.63186149       0.66777519 
O       7.17745032       9.10453214       2.52076058      -1.00643219      -0.44544170       0.04591907 
O       4.67083501       6.82261028       4.47401904      -0.11344084       0.38638549      -0.17883367 
O       9.80117764       8.73962756       0.74718919       0.41509446       0.07882367       0.27716133 
O       7.92729680       1.24570705       0.09565497       0.09945412       0.91694516       0.26425403 
O       5.16599406       6.17792072       1.77027936      -0.37359407      -0.25793977       0.58118218 
O       7.84115697       6.49790015       0.11166826       1.78630074       0.14284258       0.50658074 
O       7.50527573       1.38843065       2.82464594      -0.34694038      -0.26271896      -0.71930943 
O       0.57579643       9.18921429      10.36445171      -0.23286653      -0.94509036      -0.34678572 
O       4.69515735       1.72668629       4.48124712       0.11404748      -0.36084201      -0.17009814 
O       1.87870230       1.29745166       5.34269181       0.43618284      -0.64018648       0.56132886 
O       1.45402636       1.33798140       8.01186525      -0.24432192      -0.70098206      -0.45815698 
O       0.97895568       3.83277464       7.75805245       0.32806389       0.59593812      -0.45701961 
O      -1.35265150       1.66542106       9.81349085      -0.34315854      -0.80273143      -1.68540548 
O       3.85282550       3.50885032       6.05620236      -0.98063980       0.36181328      -0.27367816 
O       3.35796026       4.22927485       8.65594992       0.31728261       0.55962991      -0.09359791 
O      -0.91061752       0.86951010       7.02094005       0.33186686       0.11574161       0.80767803 
O       1.42433587       3.88244378       5.11988430       0.24117040       0.54967630      -0.00192615 
O       2.82540956       1.23793335       0.06715912      -0.47855203       0.53627659       0.59588885 
O       2.32990453       1.40371519       2.74081273       0.07299624      -0.54446957      -0.28894840 
O       1.82948455       3.93710494       2.42777874       0.48496816      -0.04722503       0.06676523 
O      -0.43626957       1.74513655       4.51069937      -0.19955367      -0.90469906      -0.61054774 
O       4.71475636       3.52791070       0.76498610       0.34144524      -0.60823396      -0.00952006 
O       4.29709318       4.25533714       3.38895757      -0.85781353      -0.01713197      -0.20816653 
O      -0.04163395       1.02777342       1.89733350      -0.01977265      -0.73397960       0.34975633 
O       0.64956467       3.93058846      10.30024998      -0.70319450       0.05691485       0.51004132 
O      -0.07925704       6.19768888       1.93803713       0.26731904       0.29811226      -0.98655436 
O       4.13758598       9.52265217       3.45670692       0.70960167       0.05664961      -0.33977983 
O       4.72934772       8.76923668       0.64125582      -0.16481911       0.35862653       0.94198028 
O       9.66525705       3.44343012       0.76973205       1.06751614       0.14088642       0.74882739 
O       9.34389655       4.30831269       3.44683406      -0.70171193      -0.39749282      -0.38003358 
O       5.18421377       0.87469621       1.83553451       0.26879140       0.30992113       0.35619887 
O       6.96180063       6.37618293       5.41744442       0.75226141       0.70057380      -0.50061256 
O       1.90572886       6.36090192       5.34320959       0.19390381       1.16467155      -0.16692344 
O       1.52895437       6.53131762       7.99080559      -0.33987400      -0.44694330      -0.30993648 
O       1.02223980       9.01133815       7.68457052       0.06467747       0.69496228       0.83811845 
O       6.90857862       3.93131194       2.44575648       0.80650430      -0.44895800       1.01006038 
O      -1.33045513       6.90260277       9.72905449       0.24665403      -0.20836448       0.10456511 
O       3.43616179       9.32900636       8.50451479       0.16428410       0.53184575       0.59814692 
O      -0.90309817       6.03525406       7.08879609       0.94642767       0.92075921       0.06732102 
O       1.45920151       9.11972607       5.11606430       0.09149609      -0.27921348      -0.12079065 
O       2.77082342       6.41205314       0.10392797       0.26476752       0.84051165       0.04118965 
O       2.38434953       6.54279173       2.71078106      -0.27604538      -0.14121798      -0.13134983 
O       1.92120178       9.02026113       2.47513428      -0.28185949       0.61232721      -0.08138170 
O      -0.38146346       6.82170258       4.50280052      -1.20429917       1.04812755      -0.06939259 
O       3.77556319       8.65419087       6.02240602      -0.09927103      -0.04289416      -0.42110220 
O       5.68875397       9.23259658      10.38308668       0.12236180      -1.02363638      -0.21361763 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004851801149188258 0.0004261302974569032 0.0020374994414598313 0.0004261302974569032 -0.00047398112676292524 0.0011731095096503858 0.0020374994414598313 0.0011731095096503858 -0.00716011577691847" pbc="T T T" energy=-972.83868149 free_energy=-972.83868149 config_type=crystal 
Hf       0.77235108       0.24354000       3.82345393      -0.99904894      -0.07995373      -0.71747598 
Hf      -0.11769902       5.45211734       9.04101268       0.51601775      -1.10130594      -0.81760927 
Hf       0.37041018       7.56056511       6.38146607       0.16679636      -0.92129229       0.32151325 
Hf       5.92410680       5.34472002       3.69934363      -0.08313211       0.23835955      -1.00931523 
Hf       8.56663072      10.16479320       1.57641756       1.30460702       0.84769674      -0.35817205 
Hf       8.20783539       7.95285206       4.20458411       0.46092024      -0.25172701      -0.98314098 
Hf       6.39712577       7.61148919       1.10144302      -0.41716380      -0.81919194      -0.24211152 
Hf       1.20182307       7.63612635       1.06433458       0.71394493      -1.37649634       0.76559804 
Hf       3.04472360       8.03033083       4.14929853      -0.25813473      -1.33389524      -0.28397643 
Hf       3.42607158      10.14727361       1.56127382       0.64171731       0.30515472       0.38220351 
Hf       0.74241452       5.40035704       3.71646473       1.10023360       0.20287840       0.72340502 
Hf       5.38824168       2.33580707       6.26890957       0.12171472       1.79665066      -0.18125774 
Hf       2.66239801      10.09898346       6.72232756      -2.26754008       0.61569811       1.02273504 
Hf       5.99733852       0.24875988       3.70106992      -1.25528004      -0.79864579      -0.47673560 
Hf       5.03798439       5.44683668       8.90134965      -0.58891052      -0.45287442       0.80406104 
Hf       7.65986615      10.16076551       6.72298028       0.76631539      -0.92625583       0.29410881 
Hf       7.25619328       2.78736848       9.34396474       0.65556437       1.55743464       1.09189689 
Hf       2.16124434       2.77218046       9.44118578      -0.37410058       1.05165316      -0.56899716 
Hf       3.44186405       5.02555623       1.53396107       0.50706913      -0.27916242       0.00993853 
Hf       2.93171020       2.82778735       4.14161525       0.61467003       0.50063742      -0.42119782 
Hf       1.26756537       2.37169432       1.08817290      -1.23013649       0.52493287      -0.17137031 
Hf       5.11059186       0.29124611       8.92506868      -0.82422435      -0.78352633       0.62894647 
Hf       7.70041000       4.94057536       6.81265065       0.72943419       0.42721993       0.03692942 
Hf       0.24371048       2.36418120       6.45906886       1.68471550       0.06197425      -0.46455869 
Hf       8.10173056       2.85904427       4.16255205       1.17781532      -0.69303123      -0.25483419 
Hf       6.36494882       2.41298130       1.07678607       0.11427308       0.05588637       0.36788556 
Hf       5.56247262       7.53562715       6.25670789      -0.95055268      -0.89175510       0.69072398 
Hf       7.26474661       8.01108780       9.42689123      -1.03688192      -0.14016511      -0.22589386 
Hf      -0.15507617       0.17688075       8.96906845       0.39270050       0.09987959      -0.17941280 
Hf       2.52790635       4.96680607       6.80991977       0.29619900      -0.16214394      -0.06689516 
Hf       8.60584161       5.02611575       1.54459343       0.27896994      -0.75467982      -1.42523328 
Hf       2.21345567       8.11445690       9.40306792      -1.38728353      -2.06216957       0.67342580 
O       8.93348375       3.49415045       6.12968777      -0.88271344       0.27251120      -1.22512098 
O       3.85090172       1.69238907       9.76772363       0.24142977      -0.78564517      -0.65937212 
O       6.16431945       3.88434853       7.68173725      -0.44414983      -0.64240582       0.59604646 
O       8.56296263       4.21697649       8.64795026      -0.60090996       0.18548774      -0.09156333 
O       4.15108447       0.98475136       7.07990136       0.91063275      -0.54689226       0.53112762 
O       6.54962336       3.84236010       5.10667940       0.26642865       0.28010008       0.09056071 
O       6.57207023       1.38575213       7.84040592      -0.13710273      -0.72314639       0.72702266 
O       9.42152462       9.42664636       3.39162493      -0.23074251      -0.03514065       0.31000102 
O       5.65748020       3.98578421      10.36726377       0.57583754      -0.43385781      -0.14970260 
O       6.58884581       6.52800322       7.97693001       0.75594935       0.45447607      -0.34246488 
O       6.07689814       9.02706043       7.69121455      -0.13406345       0.61669095       0.06498545 
O       3.80802117       6.91005740       9.68392224       0.35535311       0.21085214       0.21916047 
O       8.95778226       8.61275645       6.06352589      -1.12944440       1.21861341       0.17492824 
O       8.27270655       9.55045255       8.66884307       1.37353399       0.39638770      -0.19282183 
O       4.30893543       6.02417479       7.02714190       0.06669856       0.51539096      -0.61431877 
O       7.03904502       1.18973131       5.29161444      -0.14809407       0.05635527       0.41818002 
O       6.63256275       8.96674851       5.09501860      -0.39816242       1.44866723       0.35054051 
O       7.51949041       6.47602910       2.73968770       0.41422867       0.68584158       0.07470557 
O       7.09539691       9.05315150       2.54566808      -0.44837846      -0.36749874      -0.04718332 
O       4.84465727       6.91098120       4.30323616      -1.05359374       0.74361647       0.94181423 
O       9.87194342       8.75752807       0.78757066      -0.87758334      -0.05410269      -0.43878300 
O       7.99512911       1.39566302       0.07860549       0.05060430      -1.12802642      -0.22576139 
O       5.25328665       6.09824305       1.75787943      -0.66386468      -0.16184692       0.32935869 
O       7.91346623       6.47303264       0.04152351       0.45614379       0.66207462       0.92433671 
O       7.51588453       1.31637561       2.69179537       0.38255204       0.69349014       0.55729264 
O       0.54361921       9.11820764      10.37797983      -0.14497416       0.11396252       0.00387462 
O       4.78154884       1.82883516       4.39145504      -0.17382942      -1.15465418      -0.25036880 
O       1.93620382       1.26991686       5.39150462      -0.62791726      -0.51006981      -0.02234961 
O       1.48446550       1.27239889       8.05435555      -0.73957545       0.21710801      -0.07093889 
O       1.03703244       3.86162579       7.85559900      -0.45546261      -0.52845598      -0.56557778 
O      -1.33257062       1.61755484       9.66643498      -0.10113931       0.70991480       0.79367605 
O       3.62900787       3.42384534       5.94598444       1.49991315       0.35462611       1.13718293 
O       3.40954189       4.24552787       8.61109678      -0.41580364      -0.52816501       0.30361323 
O      -0.98131893       0.93231860       7.09523274       0.24204988      -0.75693042       0.68548018 
O       1.42786635       3.94381489       5.16311269      -0.95273177      -0.17059345      -0.38423947 
O       2.86156828       1.22784562       0.17922766      -0.42624866       0.24746086      -0.14394734 
O       2.31878412       1.28384837       2.81117180       0.19506011       0.33623532      -0.37052063 
O       1.83493236       3.93518845       2.49099132       0.30056593      -1.25962620       0.07824481 
O      -0.57217245       1.60331930       4.62979218       0.98485030      -0.04883369      -0.87044934 
O       4.72493847       3.57512451       0.81687811      -0.27035960      -0.71453146      -0.78314753 
O       4.25968938       4.23409117       3.26536568      -0.32388957      -0.01061348       1.34135011 
O       0.01481649       0.92964061       1.86860169      -0.00092715       0.02669600       0.35953046 
O       0.57790056       3.83522955      10.39201974      -0.01413463       0.92619611       0.17492270 
O       0.09686046       6.06819660       1.84588462      -0.63065421       0.70394928      -0.45960646 
O       4.21633254       9.52054034       3.44346852       0.00295890       0.11417270       0.40524229 
O       4.71966714       8.79932947       0.81749071       0.00198756      -0.78254651      -0.61416383 
O       9.90657628       3.62287581       0.69108057      -0.36205907      -0.77715111       0.05787958 
O       9.36341067       4.27403365       3.33671695      -0.41616704      -0.71951937       0.94678500 
O       5.24109449       0.80274611       1.88909295      -0.42223190       1.01232564      -0.89225492 
O       7.06577093       6.32568017       5.33830886       0.21011559       0.35640350       0.21563647 
O       1.92590745       6.45200278       5.43070047       0.03266973       0.14603806       0.02658731 
O       1.51069817       6.46067629       8.09112639      -0.36522452       1.07154906      -0.27144248 
O       0.93140047       9.10188220       7.75902239       0.67509882      -0.61034710      -0.05782812 
O       7.04260300       3.86784448       2.48801808       0.10388931      -0.34677450       0.26187172 
O      -1.38497660       6.87003221       9.70775552       0.37952681       0.32055992       0.17834981 
O       3.38044493       9.42274802       8.64371590       1.27500691       1.91790718      -0.95732554 
O      -0.86879328       6.07576261       7.09243475       0.34709377       0.13224373       0.68656277 
O       1.40267329       9.05726357       5.17882251       0.53541648       0.95358340      -0.76306183 
O       2.85165051       6.48508039       0.18676992      -0.96013367       0.16143650      -0.32963614 
O       2.34621748       6.50689939       2.88883633       0.54234941      -0.09978240      -0.89336357 
O       1.88516326       8.94855043       2.49222860       0.40206779       1.26250389       0.61700226 
O      -0.42153774       6.82788959       4.52674384      -0.17478840       0.10986825      -0.18137710 
O       3.76190990       8.60998650       6.03954382       0.84126967      -0.14776734      -0.14505389 
O       5.69328531       9.22040793      10.42556901       0.13226841      -0.03118283      -0.54082247 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0008603184705764496 -0.004579941508780753 0.0011803157501173295 -0.004579941508780753 0.0022200635022522983 -0.0003061484256055873 0.0011803157501173295 -0.0003061484256055873 -0.011509252619597333" pbc="T T T" energy=-972.31164217 free_energy=-972.31164217 config_type=crystal 
Hf       0.87756647       0.21617841       3.72529519      -1.28561489      -0.29474490      -0.12387071 
Hf      -0.15324818       5.43675321       8.99054561       0.14558819      -0.37157257       0.09554952 
Hf       0.32899527       7.63256082       6.30733614      -0.24669137      -0.65826704       0.09384014 
Hf       5.93590080       5.41663687       3.74335977       1.54774035       0.07825182       0.60270123 
Hf       8.62747370      10.20808125       1.45519355       0.78607801      -1.49546197       0.77075102 
Hf       8.13095645       8.05790667       4.15108331       0.70868964       0.44218290      -0.29888518 
Hf       6.32444140       7.52147484       1.12955550       1.78900227       0.91261862      -0.56014512 
Hf       1.27957856       7.53884680       1.10042750      -1.59656051       0.74190065      -0.08202448 
Hf       3.04478980       8.01168804       4.19587156       0.26841365       0.50491625       0.89033019 
Hf       3.40631531      10.11667190       1.56347758       0.96257821       0.51147542      -0.23243586 
Hf       0.77764724       5.50509205       3.66798657      -0.57027060      -0.91546564       0.96059486 
Hf       5.48302064       2.36755763       6.27220927       0.59626611       0.52309559       0.95561193 
Hf       2.56974105      10.21161707       6.85633099       0.30769359      -0.78895080      -1.26362195 
Hf       5.97907183       0.18477312       3.70342962      -0.17457237      -0.36792276      -0.01721881 
Hf       4.91201630       5.34432685       8.88947622       0.96586290      -0.59337706       0.54731201 
Hf       7.70226542      10.23956042       6.79703586       0.21247682      -1.39987093       0.53708507 
Hf       7.26492246       2.82505086       9.41681098      -0.27772783       0.80263970      -0.35427676 
Hf       1.98231114       2.80042014       9.42916187       1.56345418      -0.24845041      -0.06844939 
Hf       3.51161911       5.02922536       1.67380733      -0.94134518      -0.82448562      -1.43560337 
Hf       3.08104159       2.84636426       4.17521555      -1.12660155      -0.79262760       0.20341201 
Hf       1.29737027       2.41344710       1.09980062      -1.29384022      -0.17106917      -0.65100917 
Hf       5.03103408       0.22073673       8.96633220       0.19215696       0.65763404      -0.01478888 
Hf       7.73737895       4.99697128       6.77309411      -0.17624090      -0.64512431       0.25026838 
Hf       0.35772320       2.39114288       6.30878134      -0.32370725      -1.09661860       0.31523331 
Hf       8.25496999       2.80091805       4.09537340      -0.07136086       0.42893313       0.56161107 
Hf       6.29976379       2.39010416       1.12077239       0.58304395       0.36389895      -1.19617012 
Hf       5.50816563       7.54681293       6.34870666      -0.63329290       1.20325203       0.54813505 
Hf       7.22708659       7.88444932       9.39333703       0.23505604       1.71897893       0.63905967 
Hf      -0.14884180       0.20073936       8.92683005      -0.14375070       0.04887345       0.78596302 
Hf       2.48218240       4.96321404       6.76862023       0.41598323       0.40349800       0.41737721 
Hf       8.62922907       4.99835953       1.50256222      -0.57881935      -1.38367358      -0.65105837 
Hf       2.13583133       8.00044107       9.44384011       0.37986721      -0.08607355      -0.45820779 
O       8.85252911       3.42980210       6.05233405       0.97907988      -0.38913190      -0.13013084 
O       3.83977991       1.80933548       9.73362445      -0.22726486      -1.31639356      -0.43672629 
O       6.06715049       3.98349844       7.71928608       0.39618804      -1.41851620      -0.80110799 
O       8.43001548       4.43779998       8.75974485      -0.82230572      -0.82994109      -1.04419251 
O       4.29995913       0.97394078       7.07172917      -0.09082229      -0.58565180       0.59784617 
O       6.65330440       3.88995243       5.06609201      -0.37608363       0.23535817      -0.24163819 
O       6.66684947       1.37878866       8.01657990      -0.71626337      -0.42039424      -0.52105224 
O       9.36788393       9.50731744       3.37953697       0.18742920      -0.04058273       0.26533284 
O       5.59502094       3.78075957      10.33815825       0.39522064       1.75305464      -0.20371259 
O       6.61668810       6.45897280       7.93688645      -0.49235257       1.06211278       0.66509590 
O       6.15736659       9.10108131       7.71904793       0.04725761      -0.45227124       0.37898793 
O       3.80767671       6.76250471       9.76677532      -0.57593368       0.97077893       0.53446320 
O       8.92772329       8.72378257       5.99685841       0.01748378      -0.15369195       0.43645428 
O       8.53775768       9.42343638       8.73974438      -1.04151104      -0.47894711      -0.50091429 
O       4.11027750       6.27287627       7.06422598       0.09571936      -1.59016655       0.99627857 
O       7.17386056       1.20777853       5.40902096      -1.22543975       1.09327265      -0.84228938 
O       6.53719105       9.13092557       5.14868667       0.28593219      -0.11655648      -0.44225962 
O       7.55019442       6.61211100       2.76479817      -0.92752529      -1.16222108      -0.16128225 
O       6.98328891       9.08065815       2.45801108       0.25352054       0.05676137       0.01995181 
O       4.74683866       6.82921726       4.54892560      -0.53836450       0.14021471      -0.68158756 
O       9.84868639       8.66375565       0.78330763      -0.71090006       0.34214521      -0.13402214 
O       8.01284761       1.28769756       0.15524317      -0.65806869      -0.42322289      -0.18044201 
O       5.15318834       6.14452745       1.95071763      -0.11846294      -0.22666214       0.19940841 
O       7.99958625       6.44073555       0.16801934      -0.82317943       0.09831446      -0.79781559 
O       7.60349512       1.23911171       2.87061687      -0.50938877       0.76226085      -1.04067413 
O       0.56047995       9.08861483      10.41816200       0.22068087      -0.16249983      -0.06917855 
O       4.71043029       1.61167445       4.43155741       0.54031369       0.72204720       0.52812960 
O       2.03688994       1.21009276       5.35769420      -0.81432543       0.73773563      -0.15094555 
O       1.55543364       1.28745661       8.00280125      -0.56702171       0.12734886       0.05583644 
O       0.98331645       3.70729291       7.74053664       0.01884590       1.60037173       0.42592226 
O      -1.31506927       1.78735388       9.57474335       0.96889185      -0.68910021       0.64996065 
O       3.75969134       3.53059441       6.05549998       0.71271491      -0.17777070      -0.17290674 
O       3.26833985       4.22424980       8.69734943      -0.33545873       0.68027167      -0.93805352 
O      -0.84829075       0.82941208       7.10967073       0.81658300       0.91525441      -0.62821322 
O       1.47738617       3.91342089       5.15401142      -0.57298192       0.31157116      -0.19604536 
O       2.74366786       1.21299674       0.06906203       0.40281039       0.21323436       0.76010813 
O       2.43057174       1.34958736       2.77583712      -0.16190221      -0.15750238      -0.51042521 
O       1.89482801       3.88008602       2.56308834       0.46508961      -0.09195540      -0.41030406 
O      -0.38182550       1.64321534       4.53196432       0.06939977       0.24637552      -1.01018426 
O       4.60734273       3.57499307       0.86098382      -0.16341033      -0.55037393      -0.36412842 
O       4.27455591       4.29126637       3.47616157       0.07202595       0.23499828       0.02593752 
O       0.11039588       0.85682500       1.75988063       0.17997697       0.49965652       0.38236842 
O       0.44815346       3.92101298      10.33044862       0.46637169      -0.01556897       0.50252889 
O      -0.07071512       6.10500100       1.76933462       2.22948243       0.97808672       0.83468466 
O       4.29547988       9.38202669       3.39059639      -0.48466229       0.38090109      -0.50389139 
O       4.66733212       8.62653761       0.83808341      -0.53992653       0.60238862      -0.41360913 
O       9.85488444       3.49206802       0.69651032      -0.22480786       0.38322198       1.35956884 
O       9.48747503       4.33685847       3.31902934      -1.87546394      -2.03668398       0.70316762 
O       5.13346076       0.92872793       1.79210104      -0.29621594      -0.96553608       0.76171697 
O       7.08257042       6.48301075       5.44460419      -0.01422895      -0.33051670      -0.87912111 
O       1.89069733       6.48173991       5.30656402      -0.19688223      -0.27563337       0.84333314 
O       1.47104040       6.55140487       8.06451224      -0.34644785      -0.39118933      -0.36960968 
O       0.98041814       9.05552070       7.76525649       0.14715118      -0.10628364       0.23203315 
O       7.00915225       3.86168626       2.39756530       0.55645646       0.38349524       1.42140237 
O      -1.39363842       6.78935354       9.81897635       1.08439188       0.21614832      -0.74995679 
O       3.42265263       9.37147036       8.55857254      -0.25777515       0.25511328       1.25797622 
O      -0.75503981       5.91888691       7.01178669       0.44035082       1.23928368       0.19820719 
O       1.44141457       9.12115858       5.17123321      -0.26218752      -0.05089190      -0.44733124 
O       2.85263435       6.42996632       0.25949718      -0.21020917       0.28489622      -1.01655741 
O       2.29537520       6.55494651       2.79493937       0.81144707       0.36032138      -0.67286517 
O       1.83397582       9.07013891       2.52918846       0.71655517      -0.19052635       0.17263280 
O      -0.54259664       6.79373243       4.45296841       0.51372855       0.96420327       0.44671196 
O       3.76488375       8.74369464       6.02137003       0.39952822      -0.27716784      -0.41614398 
O       5.63200898       9.08220911      10.28607881       0.46177012       0.07693816       0.60431608 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005956832103338604 0.0011424189919124303 0.001161311253606329 0.0011424189919124303 0.00028627151591500744 0.0011299985385481417 0.001161311253606329 0.0011299985385481417 -0.011980245680039824" pbc="T T T" energy=-973.02658747 free_energy=-973.02658747 config_type=crystal 
Hf       0.82664258       0.19140981       3.76841616       0.22623384       1.02893916      -0.92543963 
Hf      -0.02976365       5.49066689       8.98870149      -0.34910729      -0.72533350      -0.20326704 
Hf       0.33748324       7.59874446       6.31574753      -0.59418401      -0.34390334       0.19306014 
Hf       5.89230230       5.38188819       3.63911038       0.13085853       0.04759862       1.33578905 
Hf       8.57792843      10.23109544       1.56372949       0.13038835      -0.10266970      -0.08302400 
Hf       8.12679304       8.03593317       4.12634404       0.13597955      -0.18404395       0.61003928 
Hf       6.34833196       7.56782616       1.11644741       0.21492736       0.48215943      -0.22596342 
Hf       1.20637809       7.56393281       1.10369476       0.26907783       0.73712439      -0.09516501 
Hf       2.95515038       7.94837208       4.20440423       1.62675062       0.76301631      -0.84789398 
Hf       3.49721724      10.16466467       1.49315548      -0.11496769      -0.86399386       1.46703240 
Hf       0.72780973       5.39223069       3.70828162       0.21313752      -0.22876779      -0.17314665 
Hf       5.51083942       2.42638478       6.29849003      -1.07665683       0.09108361      -0.30015285 
Hf       2.61591098      10.14042837       6.79364228       0.45044990       1.20733277      -0.42752840 
Hf       5.86130686       0.17716721       3.71823744      -0.92465515       1.01729994      -0.39312581 
Hf       5.05206369       5.40158933       8.98279544      -0.14400928       0.05286642      -0.45759283 
Hf       7.63737924      10.16924721       6.81967733       0.74524025      -0.11935512      -0.55891088 
Hf       7.34333498       2.87964801       9.36162809       0.37061281      -0.96191926       0.44602301 
Hf       2.14044208       2.79674426       9.41127728      -0.14334509       0.82833971      -0.14185519 
Hf       3.44264237       4.94108354       1.47721202       0.22983164      -0.06710519       0.52996612 
Hf       2.93704584       2.90443864       4.16471906       1.11405642      -1.11294003       0.03033388 
Hf       1.21972836       2.31844780       1.11525202       0.40363883       0.43508821       0.40342454 
Hf       5.03097644       0.26055131       8.97033230      -0.35372046       0.27450681       0.06919285 
Hf       7.73370864       4.98454407       6.78780312       0.11414806       0.27885770      -0.43372170 
Hf       0.25214105       2.34018804       6.36375652       1.73693189       0.09976640       0.00192027 
Hf       8.17093908       2.78770845       4.18640613      -0.57844547      -0.33804912      -0.87218096 
Hf       6.46790371       2.38800532       1.03213107      -1.26463581       0.11250613       0.93048543 
Hf       5.50734373       7.54634630       6.34890061      -0.87433415      -0.43012635      -0.08122539 
Hf       7.21082415       8.03668616       9.46623482       0.38435014      -0.30930808      -0.25650066 
Hf      -0.07534616       0.14363472       8.95591426      -0.14270118       0.85014563       0.35586388 
Hf       2.56537482       5.03088562       6.79197070       0.98015021      -1.07339385       0.06163071 
Hf       8.63630767       4.96070105       1.54321439      -0.50997302      -0.65008093      -0.21297357 
Hf       2.17477040       8.04072165       9.36776464       0.34143863      -0.70380306       0.95071218 
O       8.91681538       3.45336916       6.04510251      -0.00155381       0.45384796       0.35465430 
O       3.75882621       1.67114913       9.84054035       0.71701999      -1.54433070      -0.96692422 
O       6.20459315       3.92643141       7.72999090       0.05176061      -0.16835789       0.53358449 
O       8.61845924       4.25981952       8.63827597      -0.55400524       0.25034834      -0.00052069 
O       4.28032562       0.99473508       7.12622280      -0.58055221      -0.68521770       0.48576124 
O       6.65737041       3.86514623       5.17567024      -0.46564247       0.92950807      -0.74528876 
O       6.55345124       1.40573589       7.95268311       1.06940908      -0.38846391       0.08962189 
O       9.32681627       9.54441111       3.43264021      -0.31269524      -0.58152667      -0.10707313 
O       5.80903096       3.90630302      10.37533379      -0.54603224       0.37935716      -0.12654977 
O       6.59997836       6.56573433       7.95212668       0.39159617      -0.08119279       0.54347467 
O       6.06464700       9.08488897       7.85626149       0.76735734       0.07992538      -0.19035001 
O       3.84099520       6.84565627       9.74915282      -0.21953635       0.02210407       0.22451060 
O       8.97188583       8.72235349       6.02706219      -1.06106606       0.34275318      -0.47455241 
O       8.53860596       9.43949604       8.60802431      -0.94950151      -0.38991219       0.18997559 
O       4.23073201       6.13515862       7.18861906       0.19462458       0.32056687      -0.15865015 
O       7.05696567       1.27026878       5.27617270       0.22448589      -0.96270521       0.89489050 
O       6.50196269       9.09603693       5.12941264       0.71224540      -0.16863814       0.76119346 
O       7.52438899       6.50343256       2.77106114      -0.16313105       0.72547406      -0.44558255 
O       6.89955274       9.15614157       2.50853360       1.03175008      -1.04078245       0.63335137 
O       4.64543323       6.76164283       4.57155341       0.01619739       0.34263711      -0.12081702 
O       9.79048272       8.74426257       0.68938987       0.71432882       0.05550944       1.09104795 
O       7.95660233       1.26586734       0.01313161       0.43991193      -0.17490403       0.20190116 
O       5.12677341       6.19345223       1.91023483      -0.53938641      -0.78240484      -0.27966835 
O       7.94161651       6.45112148       0.09640367       0.22904637       0.03063488       0.38642757 
O       7.50917237       1.42718582       2.60329077       0.16748403      -0.73087171       0.92180920 
O       0.61616194       9.10385750      10.34649267      -0.70630042      -0.10700265      -0.14417387 
O       4.70312449       1.68347254       4.54258702      -0.35075310      -0.01105608      -0.48298073 
O       2.00802401       1.32528498       5.41942977      -1.02001032      -0.87855351       0.17486579 
O       1.51410185       1.35115879       8.01676734      -0.95677664      -0.75515498       0.10918291 
O       1.09432778       3.97206268       7.78047824      -0.59966593      -0.90845141      -0.34249811 
O      -1.19453530       1.70957982       9.68441639      -0.54312221      -0.06864395      -0.19341339 
O       3.80206899       3.64807384       5.91441380       0.30238987       0.03140409       0.76569815 
O       3.53341175       4.09001705       8.64357351      -0.81592128       0.56461427      -0.33343121 
O      -0.91700160       0.84717221       7.08749381       0.42011816       0.27638331       0.04917046 
O       1.37174989       3.85149909       5.08388903      -0.50473800       1.27165994       0.42842605 
O       2.82266603       1.19995734       0.26809233      -0.30985473       1.05186311      -1.84993091 
O       2.34743470       1.42979545       2.82087844      -0.51589814      -0.54201021      -0.38620412 
O       1.77714868       3.96872147       2.47120013       0.76915648      -0.34903749      -0.33369404 
O      -0.42396087       1.65985695       4.49556015       0.17994082      -0.10655178       0.23658718 
O       4.67061153       3.46751991       0.74376642       0.10372994       0.93320956       0.76615044 
O       4.18743404       4.31057767       3.35000796      -0.01329443      -0.24165964      -0.26219029 
O       0.01843642       0.91239958       1.84032939       0.00800509      -0.54892152       0.32417365 
O       0.58476404       3.97647253      10.34169789      -0.15325331      -0.56377566       0.27402802 
O      -0.01492681       6.09733109       1.79767412       0.27511576      -0.04890847       0.53687629 
O       4.17978006       9.35015311       3.32954400       0.50363833       0.40500032       0.90304746 
O       4.63876951       8.64520783       0.75626820       0.47990697       0.36609674      -0.00358382 
O       9.76176268       3.32761697       0.89997323      -0.25317356       1.07071883      -0.94404979 
O       9.33301998       4.21176980       3.41123540       0.76825720       1.06427366      -0.20303232 
O       5.09366028       0.93918565       1.93716747       0.77535772       0.27332489      -0.50808938 
O       7.03887393       6.42671946       5.39123496       0.06881999       0.24396364      -0.46803169 
O       1.88960662       6.47174694       5.38597953      -0.37844149      -0.41786427      -0.14969390 
O       1.54932822       6.55229397       8.04811348      -0.55093796      -0.43432732      -0.46840701 
O       1.07502386       8.96707528       7.78107530      -0.54630663       1.13397309      -0.65467786 
O       7.00270969       3.90335186       2.47425475      -0.20591157       0.10077880       0.04899738 
O      -1.33141891       6.83337151       9.78172847      -0.54161640       0.53728760      -0.63941443 
O       3.43806432       9.37667694       8.58280400      -0.00268281       0.81171604       0.44318070 
O      -0.87307427       6.15633966       7.00740637       0.61060865      -0.23007121       0.98827513 
O       1.48972976       9.14462091       5.14183420      -0.65111169      -0.19185885       0.30429372 
O       2.78094331       6.42439057       0.17523565       0.12958558       0.69051674      -0.49903143 
O       2.32150165       6.63984312       2.73325966      -0.45314231      -0.88104549       0.16353908 
O       1.79378065       9.16389823       2.49064501       0.06750154      -0.52184548      -0.23938729 
O      -0.52002675       6.80153980       4.40027616       0.33830962       1.01873370       0.52386075 
O       3.80470707       8.72535202       6.03495569       0.20838581      -0.29579733      -0.21240950 
O       7.44257645       9.16502080       0.10689984      -0.07531435      -0.12335469      -2.25129667 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007384987439207551 0.0019468196012263272 -0.006950846451896997 0.0019468196012263272 -0.004657652766318534 -0.0009216850257511885 -0.006950846451896997 -0.0009216850257511885 -0.013144703746509693" pbc="T T T" energy=-972.90025454 free_energy=-972.90025454 config_type=crystal 
Hf       0.80815071       0.18606806       3.70803391       0.40828011       0.44870521       0.24524778 
Hf      -0.17604322       5.38654938       8.91757799      -0.64668469       0.98941631       1.34679771 
Hf       0.32308787       7.52208953       6.34343715      -0.09461707       0.57711423       0.62175495 
Hf       5.85938306       5.42276247       3.73682095       1.53374323      -1.58522723      -0.73246164 
Hf       8.64140935      10.23417596       1.51474941      -0.90732868      -1.71287903       0.32775511 
Hf       8.16184867       7.99503988       4.13906728      -0.61726883       0.05170450      -0.39785931 
Hf       6.37395007       7.53191055       1.09634939       0.41385253      -0.17248013       0.19140750 
Hf       1.26142157       7.63275148       1.16701917      -0.93627199      -0.43865346      -1.73146590 
Hf       3.03716112       7.99565914       4.15408554       0.14691907       0.41308063       0.48868734 
Hf       3.57766160      10.22717726       1.54210658      -1.05054442      -1.01522060      -0.00970856 
Hf       0.80315082       5.44164631       3.67185646      -0.13919815      -0.06162639       0.25649530 
Hf       5.51318629       2.37187615       6.29968017      -0.08467209      -0.18283926       0.20665367 
Hf       2.51861792      10.18386854       6.83407164       0.40150442       0.09598144      -0.84107512 
Hf       5.90726588       0.19734818       3.77715506       1.21307787      -0.32773294      -0.06490711 
Hf       4.96668714       5.34668472       9.01247713       0.80270578       0.39304570      -1.12995124 
Hf       7.84892460      10.13912896       6.83543755      -1.41142269       0.39646286      -0.56569196 
Hf       7.23043803       2.80835698       9.41977634      -0.43736036      -0.13591092      -0.86746501 
Hf       2.06204651       2.86166376       9.38285377       1.12009353      -0.29073727       0.47674311 
Hf       3.45585725       5.03330396       1.45445200       0.24167675      -1.39423120       0.48394216 
Hf       2.99773755       2.84758793       4.12737835       0.40624237      -0.07272741      -0.34911657 
Hf       1.16071954       2.40465930       1.14133589       0.81204597      -0.24396322      -0.27004628 
Hf       4.99117273       0.16701371       8.97375780       0.16626631       1.12101764      -0.23353256 
Hf       7.66684441       4.98005058       6.76209811      -0.83450290      -0.94308979      -0.03687163 
Hf       0.36646872       2.41535029       6.30744094      -0.17514947      -0.13289549       0.11409535 
Hf       8.27168083       2.78796623       4.11171263      -1.33535741       1.35385447       0.06551151 
Hf       6.36966290       2.38522727       1.09630907       0.22849634       0.74289159      -0.32167431 
Hf       5.40824113       7.58206429       6.44209477       0.72823749      -0.18835805      -1.53362494 
Hf       7.24881413       8.05628454       9.37298196       0.68448537      -1.25696824       0.60731074 
Hf      -0.03794204       0.28849673       9.03177731      -0.64639954      -1.25961077       0.60233840 
Hf       2.56858156       4.97740106       6.74792085       0.37956915      -0.27460184      -0.03765183 
Hf       8.64826476       4.96963109       1.48914772      -1.41819681       0.99874379       1.02443952 
Hf       2.09346954       7.95169874       9.42200572      -0.39694858       0.36999666       0.34970754 
O       8.85814970       3.41548355       6.08792978       0.77120670      -0.15057331      -0.01384692 
O       3.85113768       1.71266688       9.71535962      -0.33248560      -0.48584854      -0.07883577 
O       6.11147147       3.85982775       7.71201978      -0.20977180      -0.15026555      -0.08373917 
O       8.33043338       4.39206990       8.70490911       0.48953939      -0.81589858       0.31325243 
O       4.25607623       0.96325706       7.05574917      -0.63992791      -1.01491710       0.53196809 
O       6.63552049       3.85429949       5.02380269      -0.39585657      -0.15225901       0.31532079 
O       6.52918038       1.33017278       7.99854431       0.71485112      -0.08104567       0.35075135 
O       9.35199280       9.54565233       3.46798980       0.14540856      -0.07741726      -0.12561342 
O       5.60899278       3.86925923      10.32390098       0.40037918      -0.25979380       0.13650178 
O       6.52402279       6.54233082       7.96338300       0.15530458       0.08026577       0.78899125 
O       6.06481239       9.05367237       7.77040104       0.64779708       0.41369258       0.11139252 
O       3.76336121       6.78030380       9.74789243      -0.52418804       0.59373012      -0.28387156 
O       8.94265226       8.67813634       6.03341788      -0.02985359       0.07582706       0.19573717 
O       8.51175422       9.46812369       8.65307497       0.08470663       0.35324684       0.08378496 
O       4.22112441       6.11215586       7.07231427      -0.32626468      -0.29255373       0.28335282 
O       7.04388786       1.14824307       5.40618286       0.41229772       0.38409361      -0.29056685 
O       6.59816949       9.02342290       5.11386117      -0.23128550       0.27290073       0.26325803 
O       7.54538821       6.47795047       2.80398971      -0.26011130      -0.06231615       0.04575892 
O       7.11776393       8.90569991       2.43574795       0.02841629       1.58782806       0.86038424 
O       4.72656762       6.86618032       4.40527255      -1.15076071       0.79627081       0.90060342 
O       9.82456529       8.71807227       0.70675259       0.73172742       0.09251507       1.13190098 
O       7.99221622       1.24109189       0.13935610      -0.64831830       0.37690261      -0.32403106 
O       5.26722339       6.00690653       1.81742772      -1.00419110       0.17606918      -0.28952055 
O       7.85497784       6.35452218       0.10767951       0.65450687       0.53243649       0.10712780 
O       7.61168708       1.38340777       2.72567845      -0.75723495      -0.74939232       0.30853767 
O       2.40256241       9.12061019       0.01998072      -0.53615206       0.55424327      -1.24778975 
O       4.71238573       1.65685302       4.38565105       0.09667632       0.14610160       0.54300008 
O       2.00087146       1.26383750       5.33725314      -0.82838914       0.06772472       0.56652241 
O       1.52087355       1.33627978       8.04868030      -0.25914922      -0.20164387      -0.31145073 
O       0.97473946       3.83512388       7.74868478      -0.31279346       0.28440065      -0.54514958 
O      -1.38280379       1.64727690       9.82974890       0.23328988       0.06327450      -1.06120747 
O       3.80610331       3.53017526       5.96155513      -0.02268515       0.23444156       0.01202677 
O       3.29706831       4.26460955       8.56480663      -0.10321539      -0.20610815       0.56528915 
O      -0.77522454       0.93981582       7.18365512      -0.44365250      -0.07087207      -0.70308376 
O       1.48604493       4.00788166       5.02886408      -0.25702058      -0.60330070       1.42512931 
O       2.76774732       1.27931405       0.16451204       0.33122538       0.18611407      -0.35578524 
O       2.39880430       1.44483343       2.73245595      -0.34852713      -1.54392581      -0.40511374 
O       1.71005509       3.84480650       2.48507403       1.14904052       0.91562834      -0.03340057 
O      -0.29754153       1.78569528       4.43189878       0.07415349      -0.58594680       0.12808019 
O       4.60227197       3.48541730       0.68586378       0.69954626       0.09901553       0.63158877 
O       4.21010766       4.18452323       3.20247684       0.19387238       0.41228600       1.15786016 
O      -0.00645480       0.91205358       1.84865740       1.09593902       0.33320232       0.44762839 
O       0.53069164       3.99619341      10.35575030      -0.35236729      -0.65365157      -0.15128740 
O       0.08642532       6.02757823       1.77572097       0.21608955       0.97063787       0.31620038 
O       4.35565317       9.33555630       3.35274273      -0.60405485       0.65233840       0.22904556 
O       4.63683372       8.62722618       0.79660127       0.77771830       0.20500666       0.03643612 
O       9.75832310       3.54481934       0.75896538       0.65817917      -1.10871373      -0.07123017 
O       9.44160117       4.34989849       3.48310907      -1.30294869      -0.79707538      -0.50154093 
O       5.27132498       0.86863825       1.87802481      -0.22628083      -0.09515772      -0.35803396 
O       6.93355265       6.33291753       5.41770736       0.28442756       1.19393208      -0.27578178 
O       1.88273851       6.47421277       5.47826329       0.34798961       0.26394737      -1.42669000 
O       1.41415645       6.55506797       7.99224847      -0.12560426      -0.92136399       0.17055717 
O       0.95170339       9.00970313       7.83243734      -0.16694990       0.61026601      -0.40788551 
O       7.06319739       3.89810819       2.42909699       0.31630049      -0.58802992       0.05292554 
O      -1.35894587       6.87360149       9.73470695       0.26324727       0.20978943      -0.20937759 
O       3.26897017       9.43207934       8.64216717       0.90657566       0.38505163       0.55185101 
O      -0.95987413       6.04104562       7.12003102       1.16695281       1.03911643      -0.98760928 
O       1.45894602       9.14375675       5.12463477      -0.58659938      -0.12620127       0.20519564 
O       2.71574940       6.45672237       0.17119240       0.54216402       0.71479402      -0.80235480 
O       2.44170400       6.48456753       2.75182638      -0.33111547       0.79454249       0.36514687 
O       1.93892925       9.10196355       2.53526882      -0.06353466      -0.01089095       0.39629484 
O      -0.41017629       6.93009279       4.45078041       0.42315770      -0.29525220       0.00724364 
O       3.67496640       8.69918739       6.07516180       1.00293527      -0.56813003      -0.35672785 
O       5.77847252       9.09654657      10.44589467      -1.31888351       0.42978170      -1.26097776 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002571413186607897 0.0030026357815643896 -0.0026847450800100954 0.0030026357815643896 -0.005182043329189491 -0.0006492964985848832 -0.0026847450800100954 -0.0006492964985848832 -0.0004537126934463879" pbc="T T T" energy=-972.58122804 free_energy=-972.58122804 config_type=crystal 
Hf       0.78885769       0.19110423       3.77885217      -0.92597855       0.17531375      -1.18752716 
Hf      -0.09942308       5.40196203       8.95754720      -0.29099443      -0.15169673      -0.18820061 
Hf       0.36168887       7.55423461       6.34983275      -0.44945205      -0.24780734       0.42055197 
Hf       5.81864433       5.47771321       3.64993890       1.15772691      -1.27270427       0.45358566 
Hf       8.51686288      10.20446709       1.58113022       1.05804811      -0.58281619       0.52731648 
Hf       8.16698218       7.93326791       4.22176317       0.13678125       0.64938906      -1.11241165 
Hf       6.33099852       7.59668967       1.04057049       1.43850761       0.13969934       1.15854603 
Hf       1.22441314       7.58808401       1.07933561      -0.30544961      -0.05318967      -0.23939691 
Hf       2.93728558       7.95259334       4.07301703       0.21229402       1.19763393       0.91789122 
Hf       3.51025738      10.21096601       1.54061487      -0.65283870       0.50469034       0.02366270 
Hf       0.80820053       5.45097056       3.63214272      -0.67307919      -1.67447268       1.32780057 
Hf       5.45873946       2.37858340       6.40433761       0.31255465       0.21220805      -0.03430654 
Hf       2.59630898      10.15200420       6.71760471      -0.34875542       0.18434685       0.88328098 
Hf       5.88444287       0.19312764       3.79759729      -0.30624220       0.31197565      -0.91588233 
Hf       5.17667891       5.50474169       9.04071215      -0.81985710      -0.70564509      -1.05857889 
Hf       7.69414683      10.16496308       6.74818021       0.72542057      -0.27756144       2.16625267 
Hf       7.24943878       2.80097966       9.41982349       0.46096966       0.14669971       0.06422473 
Hf       2.11171609       2.89455923       9.33078420       1.33572352      -0.86853254       0.50447819 
Hf       3.49642487       4.91503341       1.48684410      -0.69469569      -0.37192291      -1.61349276 
Hf       2.97792771       2.82886877       4.11167577      -0.22375775      -0.60417982       0.33959536 
Hf       1.22534665       2.36039882       1.07444486      -0.84539873      -0.53634045       0.25035409 
Hf       5.03250655       0.10827322       8.92871207      -0.21430331       1.80652766       1.52908839 
Hf       7.66886244       4.99359090       6.80397024       0.00878239      -0.27042143       0.29183272 
Hf       0.28041794       2.37205819       6.37050735      -0.15325436      -0.32029150      -0.01034810 
Hf       8.10592494       2.81435031       4.22365275       0.61899592       0.05910869      -0.49752200 
Hf       6.46226841       2.42120408       1.09955144      -1.36571473      -0.72643949      -1.27838404 
Hf       5.49391848       7.59603301       6.29351727      -0.41562536      -0.40545764       0.73061292 
Hf       7.36565278       8.03176770       9.40634200      -0.56996915      -0.00159495       0.75725301 
Hf      -0.03356992       0.21757507       8.94799104      -0.86627429       0.01301448       1.43907569 
Hf       2.66444689       4.94138518       6.78313582      -0.48374038       1.05352681       0.12893520 
Hf       8.60273430       4.96116986       1.61241482      -1.02572100       0.29189665      -0.84975018 
Hf       2.14174141       8.03907302       9.44125498      -1.18598015      -0.46009415      -0.28341808 
O       8.76149970       3.39783615       6.21989609       1.20875716      -0.74011713      -0.79942173 
O       3.91407098       1.72577766       9.60012410       0.04854442       0.26172080       0.53248010 
O       6.13565526       3.82398123       7.83172603      -0.25788035       0.31065263      -0.55004981 
O       8.41916362       4.38562885       8.69345056      -0.03477851      -0.69965216       0.70923686 
O       4.29358524       0.86883141       7.08394692      -0.42719950      -0.73825002      -0.45097942 
O       6.54073652       3.81674169       5.08479555      -0.56161759       1.15221156       0.35622676 
O       6.61379070       1.29100864       8.03592818      -0.10275004       0.04217594      -0.28474380 
O       9.27906149       9.47813090       3.46890293       0.28246685      -0.28398461       0.41329389 
O       5.67951678       4.04520651      10.40251592      -0.05597373      -0.65346599       0.17200641 
O       6.75165441       6.52222279       8.00383797      -0.79561112       0.34892241       0.18972138 
O       6.14036851       9.02202478       7.84073070      -0.44522335      -0.29401121      -1.28107528 
O       3.86242276       6.95915892       9.59226924      -0.29119047       0.48405701       0.51710012 
O       8.86183185       8.58526882       6.17942095       0.23032121      -0.28464181      -0.78443272 
O       8.38816123       9.60085608       8.77467626       0.60982818       0.08746569      -0.24155760 
O       4.41258333       6.03666444       7.02561774      -0.17895043       0.20406686      -0.11392454 
O       6.99830353       1.23927318       5.50389270      -0.08081574      -0.23071477      -1.46894659 
O       6.63214007       9.02959432       5.16115066      -0.68403957       1.15018814       0.12954977 
O       7.40760983       6.53118255       2.71505511       0.48378508       0.54540224       0.69951221 
O       6.92106943       9.13097741       2.60345721       0.36941414      -0.75398285      -0.63948027 
O       4.70642665       7.00087564       4.35216395       0.08097817      -0.33174513      -0.13499722 
O       9.74769962       8.60638003       0.87853859       0.31654618       0.39393119      -0.05225594 
O       8.01939560       1.27049248       0.12663895      -0.57336082      -0.09918631       0.33210013 
O       5.17370759       6.03287043       1.77015839      -0.40993978       0.32524299      -0.32597975 
O       7.95172664       6.58651035       0.16305876       0.28979350      -1.36764255      -0.50804651 
O       7.52859718       1.40188400       2.77841092      -0.45982893      -0.38992868       0.33025253 
O       2.34227136       9.19028283       0.00766595       0.14301843      -0.86482445      -0.98863177 
O       4.65870374       1.74382623       4.49192726       0.61843028      -0.53780041      -0.43521796 
O       1.92687867       1.21845809       5.34289730      -0.21271905       0.80880319       0.13432495 
O       1.42519890       1.44073944       8.02244354       0.11864014      -0.73801879      -1.17002807 
O       0.97188782       3.88789942       7.72037730       0.43462526       0.33972387       0.01677246 
O      -1.28608167       1.70852136       9.76952521      -0.62488565       0.18293326      -0.80892136 
O       3.76394249       3.47386516       6.01099346      -0.23310703       0.17355863       0.02330516 
O       3.36995797       4.41400059       8.68121055      -0.49177554      -0.26591800      -0.44068373 
O      -0.81193306       0.74615516       7.14998352      -0.28612352       1.23873006      -1.41436718 
O       1.43561492       4.00113348       5.13407259       0.04089406      -0.86548243      -0.29698397 
O       2.79398212       1.30059046       0.11502152       0.77018175      -0.39279675      -0.03290485 
O       2.32239077       1.26126787       2.63877823       0.38383395       1.02796833       1.28884053 
O       1.81763160       3.85648529       2.44746177       0.43902712      -0.10310364       0.37566535 
O      -0.51029915       1.57207247       4.56504641       0.11467633       0.91679641       0.56179336 
O       4.67797217       3.46330769       0.63027158       0.43042985       0.40483397       1.81745291 
O       4.17045902       4.25852748       3.28373478       0.32752063       0.02419064       1.18405054 
O      -0.04233506       0.93660491       2.00988706      -0.17396070       0.00025204      -1.15058818 
O       0.55369012       3.87525702      10.35312253      -0.50543627       0.59693255       0.04027615 
O      -0.00046031       5.99050379       1.76936098       1.00148133       1.12323874       0.02271947 
O       4.08926611       9.61809056       3.50238730       0.44894872      -0.30670470      -0.07459665 
O       4.68515812       8.68047177       0.83814526      -0.73764852      -0.18283556      -0.36274943 
O       9.67293859       3.48391102       0.81068192       1.23110033      -0.84936944       0.08851735 
O       9.33560939       4.30886670       3.48888040      -0.47282570      -0.40668281       0.12184680 
O       5.27111937       0.82099313       1.82258613      -0.01593890       0.70843618       0.03737692 
O       6.94147259       6.39787548       5.32928697       0.61718935      -0.12840142      -0.04103621 
O       1.99067714       6.47152636       5.29909726      -0.16671571      -0.00780806       0.58281004 
O       1.35490046       6.57907007       7.96425832       1.28198827       0.18320142      -0.07587504 
O       0.90384355       9.09018106       7.75011695       0.87514729      -0.31374031      -0.02012539 
O       6.93969174       3.88379618       2.47917501       0.37140106       0.04671190       0.53571296 
O      -1.18742644       6.97303776       9.65145065      -0.47047073       0.42602182       0.42409006 
O       3.12868019       9.66556299       8.79151363       0.74071270      -0.47480689      -0.92783729 
O      -0.92141223       6.06346268       7.11163665       0.57108443       0.33859350      -1.03287353 
O       1.45877179       9.14599752       5.17313456      -0.40066406      -0.84011780      -0.19724845 
O       2.86043974       6.37758520       0.06965206      -0.02826325       0.72227046       0.53299017 
O       2.27396538       6.50197740       2.71602883       1.22410916       0.44190449      -0.93367456 
O       1.83393084       9.01825518       2.50386798       0.19615366      -0.08288513       0.43640675 
O      -0.35988553       6.88409329       4.42300846      -0.61406444       0.59117454       0.44673262 
O       3.76378160       8.64780728       6.00709764      -0.01156301       0.35170551       0.70247248 
O       5.65330331       9.06916440      10.43875186      -0.06794792       1.13940163      -0.36951692 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0004963069362496094 0.003273198898247211 -0.002564464801607471 0.003273198898247211 -0.003630501815146696 0.0004531555201682294 -0.002564464801607471 0.0004531555201682294 0.000328798238072505" pbc="T T T" energy=-972.72193705 free_energy=-972.72193705 config_type=crystal 
Hf       0.78681243       0.18321052       3.71178955      -0.17331902       0.46045983      -0.08894223 
Hf      -0.12569645       5.42964126       8.92084251       0.21564985      -0.40895106       0.49582801 
Hf       0.41850683       7.58041857       6.32899591      -0.49519221      -0.20724928       0.86036380 
Hf       5.95022853       5.40790331       3.74472023      -0.64788991       0.11063588       0.00543830 
Hf       8.66146729      10.18365813       1.43117367      -0.38534602      -1.25626228       1.84092262 
Hf       8.20340924       7.97939521       4.21794306      -0.75158256       0.53477279      -1.33143482 
Hf       6.33673364       7.52660485       1.05564009       0.27322590       0.89203546       0.68702248 
Hf       1.23601918       7.54688140       1.09836981       0.25704917       0.35291624      -0.84306167 
Hf       3.01119075       8.11345215       4.20965894       1.14466627      -1.42913662      -0.74303139 
Hf       3.41384794      10.17611208       1.47265907       0.71283516       0.23294087       1.19985691 
Hf       0.82230190       5.45717585       3.65730958       0.24085416      -0.97997828       0.84298968 
Hf       5.47034477       2.40524916       6.40194001      -0.68323415      -1.02992583      -0.59324427 
Hf       2.54786620      10.18147035       6.79123796       0.58105497       0.18797686       0.68543388 
Hf       6.00519821       0.18967079       3.71853355      -1.10229477       0.29329056      -0.13432846 
Hf       5.01639077       5.47660841       8.93432064      -0.93306226      -1.52506922       0.37708803 
Hf       7.77173813      10.22316744       6.78729888      -1.40136913      -0.61264625       0.56622521 
Hf       7.13210566       2.76834925       9.52414575       1.11971746       0.51864210      -1.08346309 
Hf       2.11606266       2.82892083       9.37622664      -0.24296681       0.64552371       0.38683992 
Hf       3.47483424       5.03425145       1.59522515      -0.33329667      -1.28229440      -0.56966096 
Hf       3.02271596       2.80096075       4.12642206       0.32333487      -0.09492993       1.28800618 
Hf       1.24550944       2.39927889       1.06865893       0.24962181      -0.29906207      -0.05298820 
Hf       4.97389114       0.16183675       9.02112037      -0.18297373       0.04713338      -1.31069590 
Hf       7.72493839       4.91338291       6.78772604      -0.32530341       0.44217964       1.08765898 
Hf       0.31067283       2.38407581       6.27472195       1.54710210       0.27697958       0.79431831 
Hf       8.19145938       2.88510656       4.17611356      -0.54350042      -1.39294617      -1.24365483 
Hf       6.35208177       2.32211142       1.09297261      -1.09504464       0.86675726       1.64908583 
Hf       5.47581593       7.58491965       6.35061115      -0.34187651      -0.01708620      -0.15894850 
Hf       7.26987208       7.99223107       9.36452416       0.10794430      -0.15771573      -0.01476140 
Hf      -0.07989295       0.24581070       8.94812429      -0.46515674      -0.25534237       1.02447213 
Hf       2.55869251       4.95709395       6.74662539      -0.15456958      -0.58776101       0.49193964 
Hf       8.59676882       4.96000739       1.54602193      -0.54178715       0.07824283      -0.34115418 
Hf       2.10634365       8.00445629       9.43666748      -1.60543023       0.64689972      -0.28428518 
O       8.94311873       3.53449991       5.99677420      -0.05192974      -0.07280777       0.36814629 
O       3.74913287       1.70382099       9.72099445       1.05294663      -0.60824730      -0.09603703 
O       6.03753436       3.77556006       7.90783721       0.03233370       0.64749076      -1.03430828 
O       8.29901992       4.27517534       8.73225726       1.20523174       0.63746115      -0.48156471 
O       4.35708660       0.84956821       7.10857751      -1.52662847      -0.84759565       0.10834224 
O       6.58557794       3.82574664       5.13583217      -0.32578673       1.13955306       0.64654716 
O       6.53478473       1.28941903       7.96517545       0.90922404       0.30808252       1.14524455 
O       9.28325178       9.50114021       3.35967522       0.73389809       0.18758944       0.40343412 
O       7.41648963       3.93625523       0.00647813       0.43491502      -0.46727336      -0.58892687 
O       6.49537146       6.50904249       7.92048947       1.46430056       0.22449097       0.29244855 
O       6.11654646       9.02563644       7.77525409       0.20769560       0.13163785      -0.16107192 
O       3.71431738       6.94378668       9.67636507       1.70845423      -1.19201369       0.52445653 
O       8.96002556       8.65744386       6.02681018      -0.56597399       0.54148790       0.69771957 
O       8.32750854       9.60811193       8.82944941       0.73496303       0.10242398      -1.21422852 
O       4.23157045       6.07830875       7.09325065       0.04405768      -0.01951286      -0.58368289 
O       7.13639423       1.31561244       5.41496765      -0.03960682      -0.78307012      -0.13498324 
O       6.57130517       9.06967717       5.15573026       0.49185568       0.69654969       0.08750843 
O       7.51855636       6.52043036       2.71448462       0.17581360      -0.01740265       0.06090751 
O       6.96559983       9.04303884       2.51337521       0.30328778      -0.24903216      -0.43353654 
O       4.79768562       7.06745073       4.43618617      -0.07228295      -0.76368434      -0.27792323 
O       9.76088977       8.55033425       0.78851561      -0.25338491       0.51542759       0.22559470 
O       7.86787988       1.28537014       0.16577242       0.90345939      -1.22369727      -0.86355831 
O       5.13833929       6.05905283       1.86533380       0.91897459       0.57837347      -0.07006722 
O       7.85409595       6.35797996       0.01915916       0.66448320       0.92400576       0.86160583 
O       7.57439361       1.26599494       2.76655282      -0.19467223       0.61888788      -0.12768749 
O       0.48690067       9.17819850      10.37558654       0.21720754      -0.30550952       0.42260212 
O       4.72916598       1.69320139       4.50254808       0.58249200      -0.11239067      -0.30022522 
O       1.90452962       1.21804840       5.43743785      -0.31205275       0.03035230      -0.83081150 
O       1.46907575       1.35959622       8.00944371       0.16626363       0.12228206      -0.28712540 
O       0.96753497       3.86592062       7.71601053       0.08217879       0.04753055      -0.03486454 
O      -1.36739421       1.61321429       9.77884984      -0.27065417       0.92190278      -0.01210915 
O       3.60118013       3.33149411       6.12175311       0.87499515       0.44637916       0.36778764 
O       3.31391341       4.31955447       8.72247187      -0.29825103       0.08395576      -0.12898696 
O      -0.83791498       0.89232490       7.11812758      -0.31125681       0.26313754      -0.68892839 
O       1.40133930       3.93270850       5.10045245      -0.03033038       0.03616297      -0.32037251 
O       2.88128730       1.27826484       0.06508462      -0.74887403       0.28619536       0.56682410 
O       2.42272669       1.33280360       2.81476710      -0.82497268      -0.91650960      -1.12103590 
O       1.87914656       3.77599947       2.53932740       0.31484839       1.08668746      -0.53370347 
O      -0.34387255       1.77142691       4.40176536      -0.33245678      -0.42325323      -0.03669870 
O       4.70377881       3.44327239       1.02417751      -1.59390724       0.67150247      -1.02728581 
O       4.17772284       4.39640909       3.64162863       0.01092782       0.20879577      -0.77814295 
O       0.10816184       0.85275159       1.84697899      -0.30347227      -0.02236144      -0.54831132 
O       0.53692162       4.02316236      10.29875585       0.46187911      -1.24859181       1.18035012 
O       0.12641346       5.98172430       1.65548738      -0.18978577       0.04662715       1.12606679 
O       4.08591900       9.61338376       3.46936727       0.58601721      -0.20128627       0.02637183 
O       4.69775451       8.76485666       0.77036209      -0.28383007      -0.50182997       0.35553215 
O       9.84572194       3.50956092       0.84527830      -0.46481576      -0.64384974      -0.25435653 
O       9.35534890       4.38553149       3.43636939       0.03773689       0.18440302      -0.05900731 
O       5.17538672       0.82510551       1.83117005       0.24645237       0.04017258       0.11892000 
O       7.01748479       6.34625462       5.37133887       0.68982818       0.32563949       0.00081784 
O       1.87966700       6.38493228       5.36295027       0.42985595       0.57110999      -0.14193013 
O       1.47282594       6.62963735       7.98331342      -0.15801358      -0.82042822      -0.14051857 
O       0.90367175       9.13510995       7.75210870       0.35521275      -0.35382654      -0.36964538 
O       7.01894987       3.83155326       2.53610099       0.31419485       0.12788376       0.57537238 
O      -1.21310315       6.94628908       9.58863531      -1.07135587       0.65995595       0.40383760 
O       3.26788597       9.43553079       8.68275834       0.71549044       1.27366319      -0.26426913 
O      -0.80966119       6.03035099       7.10108681      -1.07550793       0.02971756      -1.35302582 
O       1.40756249       9.09422237       5.13074873       0.02077120       0.43278222       0.24228789 
O       2.80862051       6.49932258       0.15855768       0.31425733      -0.23641490      -0.04489203 
O       2.47591128       6.50419012       2.77031266      -0.96488503       0.39059335       0.17843408 
O       1.83136764       8.98282074       2.50845337       0.08523279       0.57774024       0.10373410 
O      -0.31531504       6.99447657       4.43745632      -0.36250281      -0.66819144      -0.74162875 
O       3.69299106       8.60174232       6.17149700      -0.27772683       0.41744867      -0.58733878 
O       5.66524990       9.01134563      10.35971322       0.07864912       1.01736008       0.08486056 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004776484265622858 -0.0006788450073980758 0.0005764655332062127 -0.0006788450073980758 -0.004409215094196436 -0.00040807553394053375 0.0005764655332062127 -0.00040807553394053375 0.0016928094348585318" pbc="T T T" energy=-972.92659589 free_energy=-972.92659589 config_type=crystal 
Hf       0.74153706       0.18731998       3.74857898       0.54862887       0.56896568      -0.96380451 
Hf      -0.10580496       5.40523632       8.98806253       0.61604332      -0.59889308      -0.82594042 
Hf       0.39347576       7.54286597       6.34623860      -0.71314431      -0.27882769      -0.11573162 
Hf       5.86780228       5.39412962       3.72232563       0.91717001       0.45016867      -0.40189651 
Hf       8.54877300      10.13106828       1.56445602       1.21631476       1.35143565      -0.87469829 
Hf       8.20033315       7.97175388       4.16443575       0.30304376      -0.34422147      -0.04141195 
Hf       6.38780971       7.58940171       1.03452499      -0.11535713      -0.62772189      -0.26545292 
Hf       1.25993095       7.64130643       1.03686746       0.08001595      -1.16505527       0.77151889 
Hf       2.92901311       8.01477147       4.11675816       0.20994770      -0.43404593      -0.83100553 
Hf       3.44774478      10.24486612       1.58464424      -0.49082890      -0.82920983      -0.98563253 
Hf       0.80020995       5.41075752       3.68388173       0.41170987       0.21240556      -0.39692634 
Hf       5.47609200       2.37875515       6.28993384       0.05278187       0.53777377       0.88065841 
Hf       2.63638063      10.15354238       6.72447965      -1.17229938       0.39192501       0.78316899 
Hf       5.89355727       0.16867179       3.73503879      -0.26203060       1.00483115      -0.18093584 
Hf       5.09148321       5.46504744       9.00558024      -0.07768686      -0.46582364      -0.21840639 
Hf       7.74487769      10.14753825       6.78649622      -1.05495380       0.34539168      -0.53485824 
Hf       7.19707312       2.80066930       9.47442548       1.38264329       0.22902797      -0.15923487 
Hf       2.11282502       2.87236463       9.39885088       0.43881831      -0.52730224      -0.01038859 
Hf       3.45126329       4.91730722       1.50247947       0.28507063       1.56464045       0.40443981 
Hf       2.94330445       2.80198295       4.19007356       0.51656904       0.20887568      -0.21474624 
Hf       1.25064274       2.30208495       1.10392231      -0.79524081       0.15140150      -1.05725091 
Hf       4.98574687       0.17346588       8.93586507       1.09158558       1.17778955      -0.08458171 
Hf       7.65058979       4.99344991       6.86607259       0.73380236       0.92527388      -0.47737352 
Hf       0.33312146       2.39654687       6.32582830      -0.27675322       0.59431975       0.52319655 
Hf       8.15526653       2.79448427       4.23680200      -0.05454195       0.91036320      -0.72762561 
Hf       6.35405449       2.36811933       1.10746353       0.11162418      -0.14113030       0.39785053 
Hf       5.44890173       7.61617813       6.20610326       0.43525123      -0.07623266       1.75245384 
Hf       7.39307371       8.05125304       9.42027848      -1.78459331      -0.35404519      -0.87751615 
Hf      -0.03817656       0.19380592       8.90801668      -0.64765341       1.61692988      -0.42048894 
Hf       2.61913043       5.04130948       6.79649613      -0.19796439      -0.84123622       0.39526225 
Hf       8.57240037       4.98137067       1.64242434       1.23397476      -0.43139801      -1.04473535 
Hf       2.14229649       8.03902979       9.44564201      -0.03502228      -0.56259900      -0.69477226 
O       8.88802614       3.63717961       6.05208603       0.91296053      -1.61708001      -0.00887132 
O       3.83298677       1.74779356       9.73555697       0.04040334      -0.41278287      -0.57941011 
O       6.09851496       3.94226570       7.79295073      -0.06376380      -0.32948470       0.44299841 
O       8.43855737       4.39480982       8.71285595      -0.75558875      -0.96790049       0.45655575 
O       4.31143342       0.83703191       7.02189056      -0.26545422       0.08753913      -0.12941729 
O       6.57773954       3.95167983       5.22859938      -0.57005964       0.38662761      -0.69511270 
O       6.60071308       1.46423907       7.91629911      -0.13992360      -0.56965013       1.01368758 
O       9.34260137       9.60905703       3.49705521      -1.52920174      -1.19375506      -0.11275759 
O       7.47334636       3.89538708       0.01671200       0.17814305       0.36797653      -0.82292941 
O       6.52540198       6.68418744       8.04591423       0.70797055      -0.60073782      -0.80631935 
O       6.05090398       9.15761585       7.66271775       0.50858587      -0.20207048      -0.21865250 
O       3.91885556       6.99370603       9.60728361      -0.67300441       0.43001908       0.69823681 
O       8.87200474       8.62713298       6.07125852       0.44665751      -0.29315373      -0.25172398 
O       8.46764141       9.53590437       8.62164136       0.12799977      -0.09162350       0.20329179 
O       4.32883686       6.08765617       7.02094708       0.06489260      -0.18235357      -0.27059462 
O       7.11090141       1.30715495       5.37020880      -0.53192966      -0.55149864       0.00004800 
O       6.54537277       9.10294481       5.07077244       0.20738761       0.52493314      -0.24156824 
O       7.60524569       6.41544443       2.78246635      -0.88983358       1.25056671       0.16944509 
O       7.04637559       9.03354668       2.38153081      -0.48810890      -0.61115206       1.28819089 
O       4.70853494       6.97169762       4.28566238       0.52465129      -0.27723518       1.11170874 
O       9.83934468       8.73018466       0.75049267      -0.16801260      -0.34856212       0.41534540 
O       7.91522611       1.23955278       0.21304039       0.38649957       0.13332462      -0.68127916 
O       5.24882536       6.13244125       1.75430870      -0.43357480      -1.20156121       0.64148856 
O       8.00691691       6.39906444       0.11353747      -0.26892765       0.54585281       0.43590953 
O       7.42190200       1.24326991       2.84440657       0.45922074       0.32010412      -0.84063109 
O       0.46781766       9.14054137      10.22467622       0.46937240      -0.93673687       1.53330764 
O       4.68588071       1.71412609       4.43689979       0.50328841      -0.53177067       0.19709338 
O       1.89466713       1.19331534       5.35268175       0.04450404       0.14161678      -0.14373157 
O       1.45304781       1.38138592       7.92777173       0.31344693      -0.21838773       0.10646016 
O       0.97937177       3.86664181       7.82588907       0.22144549       0.09036783      -0.57025642 
O      -1.25662051       1.73447153       9.58407186      -0.33095017       0.10738015       0.75105609 
O       3.71220566       3.45323949       6.09744058       0.15083926      -0.19937023      -0.31162912 
O       3.37564733       4.32661644       8.72679160      -0.39075676       0.25609057      -0.28448324 
O      -0.89611510       0.87271447       6.98785764       0.99245557       0.53022111      -0.13166060 
O       1.37900376       3.90572345       5.15264844       0.51787752      -0.13926811      -0.18165791 
O       2.87663008       1.21657184       0.05240600      -0.35659609       0.37380311       0.22129767 
O       2.36353239       1.34335287       2.71115394      -0.14321929       0.05508850       0.61486198 
O       1.94970203       3.83067601       2.45637509      -0.32728649       0.10218281       0.96059395 
O      -0.34624281       1.84260365       4.34638485      -0.11726607      -0.21225512       0.55162939 
O       4.72055773       3.56111320       0.84218735      -0.18399232      -0.55283140      -0.56774836 
O       4.24081152       4.26810910       3.47337303      -0.49299878       0.14616268      -0.37287051 
O       0.05617014       0.76477301       1.77072112       0.17138244       0.59256251       0.23540892 
O       0.55631666       3.91820271      10.43339793       0.13451863       0.10692016      -0.36681986 
O       0.06055882       6.11215139       1.82882033       0.44078708       0.37005128      -0.59642051 
O       4.17502316       9.47942085       3.40407789       0.05283715       0.23221665       0.69512911 
O       4.57208776       8.65176328       0.88936595       0.40873742      -0.11708210      -1.07815500 
O       9.87608607       3.42839629       0.88909063      -0.78309997       0.18194410      -0.32480952 
O       9.39663350       4.44365720       3.49858672      -1.28563984      -1.55774022       0.00024537 
O       5.06178899       0.92437211       1.82698861       1.32595926       0.24197622       0.51942404 
O       7.11365976       6.55612071       5.35913289      -0.80574464      -0.97524052       0.24025167 
O       1.90355293       6.37342347       5.28816784       0.43068232       0.55463168       0.52185802 
O       1.61511853       6.53469624       7.96279307      -0.81132424       0.31314881       0.27203460 
O       1.03784813       9.04714997       7.72183730      -0.01106715       0.06946869      -0.13318039 
O       7.06203371       3.77592258       2.56428582      -0.12502174       0.19837847       0.70051823 
O      -1.28282304       6.85744052       9.62703490      -0.49432487       1.38987248       0.99903718 
O       3.35008593       9.49976962       8.64979154      -0.85753908      -0.02392596       0.17400490 
O      -0.81702946       6.07378128       7.09082575       0.10738399       0.31136750      -0.06708775 
O       1.31053372       9.01585492       5.07085403       0.69874730       0.86387717       0.13405364 
O       2.78955202       6.47244808       0.08842963       0.45349411      -0.21634277      -0.14645229 
O       2.48030410       6.58877637       2.67235186      -0.77413212      -0.21396929       0.05554201 
O       1.83154038       9.13171045       2.47540593      -0.00419672      -0.67963231       0.11444163 
O      -0.34610613       6.93185675       4.36219590      -0.45399621       0.74851753       0.81663390 
O       3.63229472       8.57614790       6.07765821       0.52357420      -0.10718251      -0.77273450 
O       5.71617503       9.14488919      10.26395818       0.09598101      -0.49910687       0.98331289 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0007028509437603199 -0.000897194111646845 -0.0032428602393447187 -0.000897194111646845 -0.0046208112226124925 0.0025046120058825417 -0.0032428602393447187 0.0025046120058825417 0.0006332260231667963" pbc="T T T" energy=-972.69096016 free_energy=-972.69096016 config_type=crystal 
Hf       0.86647628       0.21981200       3.73603414      -0.13537383      -0.08139733      -0.99701164 
Hf      -0.08229410       5.40735085       8.98145063       0.00970831      -0.21340999      -0.81739166 
Hf       0.33446300       7.70206514       6.37479915      -0.19590384      -0.68308710      -0.28509962 
Hf       5.91175906       5.44200498       3.76759271       0.91739227      -0.29812831       0.00243558 
Hf       8.60934391      10.14677996       1.54704175      -0.10597260       0.39938525      -0.33418973 
Hf       8.17227009       8.01881963       4.12351203      -0.35690726       0.61733914       0.53008118 
Hf       6.39497920       7.52238711       1.10860872      -0.61514008       0.56078076      -0.88109802 
Hf       1.26501343       7.52108251       0.99076506      -0.29595398       1.33744531       1.40238934 
Hf       3.00632490       8.02021432       4.17520788      -0.20975953      -0.00945391       0.64072064 
Hf       3.50261575      10.11069530       1.61783512      -0.13443284       0.78537417      -0.64547243 
Hf       0.74013118       5.47855035       3.68594331      -0.17973455       0.42576016      -0.00229209 
Hf       5.53085786       2.41778401       6.31653917      -0.78300595      -0.76656795      -0.02589991 
Hf       2.60271664      10.26311251       6.81410635       0.67901742      -0.83189567       0.96069136 
Hf       5.94698077       0.16917593       3.78491311      -1.14547867       1.39435758      -0.72259893 
Hf       5.01735470       5.30826079       8.94063738      -0.50639417       1.30003161       0.56521831 
Hf       7.68257017      10.20801880       6.78927373      -0.12254016       0.58058879       0.07952349 
Hf       7.26448703       2.81003387       9.41912625      -0.39636190      -0.62442049      -0.40657758 
Hf       2.04303619       2.88511165       9.37046875       1.02890931      -1.38619758       1.20634066 
Hf       3.49988102       4.93566012       1.61261633       0.09912614       0.15615490      -0.95910384 
Hf       2.99183976       2.84741212       4.15459072       0.76173943      -0.56869848       0.30783675 
Hf       1.20975448       2.38929881       1.07932395       0.51554438      -0.96860227       0.28273207 
Hf       5.01956601       0.18603761       9.00852502      -0.35649340       1.06615048      -0.34617226 
Hf       7.76738098       4.95752702       6.80834867      -0.31247913       0.47922272      -0.44926807 
Hf       0.30171447       2.38428726       6.29708610       0.82752686      -0.01681231       0.99477596 
Hf       8.19338241       2.76493344       4.10553209      -0.86157550       0.23268011       0.22300098 
Hf       6.35776830       2.36411990       1.08416126      -0.89962692      -0.59625200      -0.10309325 
Hf       5.49342976       7.54521002       6.34422081      -0.23377153       0.81053728       0.90981357 
Hf       7.26101884       8.00038964       9.37262221      -1.07679565       0.47892472       0.46717874 
Hf      -0.15985128       0.20459042       8.95122827       1.16393327       1.15575297       0.72961091 
Hf       2.53232265       5.02119864       6.64420016       0.46426491       0.13030716       1.63787770 
Hf       8.57379508       4.93497062       1.53377468      -0.06833541       0.59251837      -0.58707386 
Hf       2.08731694       8.02475249       9.41232544       1.13497669      -0.52788949       0.27410546 
O       8.82676676       3.34774235       6.03679718       0.55793348       0.47682088       0.13791115 
O       3.79712356       1.73766759       9.65482312       0.35134663       0.01255673       0.22990851 
O       6.13990703       3.74787231       7.82955598      -0.12469520       1.49440846      -0.15646146 
O       8.50861264       4.26804499       8.61655015       0.19106685       0.82793840       0.20134113 
O       4.37381296       0.85148117       7.05632923      -0.32160071      -0.01836596       0.07318776 
O       6.62216076       3.98630185       5.20688323      -0.26017616      -0.02398950      -0.71306676 
O       6.64143158       1.35123630       7.89560581       0.29671940      -0.07652521       1.24013058 
O       9.43336916       9.53656966       3.34145387      -0.91897785      -0.95739338       1.13593892 
O       5.62756135       3.85199752      10.42897991       0.06989687       1.16885559      -0.41709229 
O       6.55147565       6.50995590       7.99664496       0.70220256      -0.04391565      -0.14745699 
O       6.11386835       9.11412851       7.82201687       0.16251263      -0.95421080      -0.60269701 
O       3.87906015       6.91297884       9.73171911      -0.28072005      -0.24053180      -0.32408940 
O       8.87435161       8.68288221       6.16277522       0.56170425      -0.27806321      -1.02480347 
O       8.45548903       9.57551841       8.61836098      -0.66485069      -0.81961585       1.01469516 
O       4.32053438       6.09122794       7.03839969      -0.80607224      -1.01383725       0.11728598 
O       7.00418588       1.29918767       5.36090224       0.59009743       0.23189283      -0.50744840 
O       6.72391322       9.25377896       5.14944177      -0.80118406      -1.47035585       0.20464684 
O       7.44294603       6.54346855       2.67606487       1.07781516       0.34681548       1.03725278 
O       6.92385070       9.12063959       2.54011232       0.92182065      -1.34350784      -0.17320795 
O       4.75187802       6.92999533       4.49621434      -0.13775955       0.12528333      -0.53932093 
O       9.77220361       8.62915483       0.79524154       0.01172098       0.05687662      -0.39310892 
O       7.95523268       1.33503752       0.09014259       0.19717647      -1.30353489       0.24546431 
O       5.24945606       5.98968171       1.86604207      -0.67728235       0.00709606      -0.44952914 
O       8.00453590       6.42088011       0.07848935      -0.09736867      -0.28243171       0.29290397 
O       7.46498712       1.23256957       2.80574835       1.01586811       1.11769219      -0.39680501 
O       0.45777085       9.11942444      10.30700522       0.42608438      -1.07338990       0.80745291 
O       4.64158938       1.71141516       4.36161710       0.97432151       0.30221164       0.58972051 
O       2.11039028       1.34209346       5.53122089      -1.63046366       1.21122379      -1.39793860 
O       1.50863720       1.37601757       8.08466654      -0.74444786      -0.63705712      -0.71086402 
O       0.99592756       3.84287775       7.77036765      -0.56909199       0.55389280      -1.01490682 
O      -1.25619141       1.85729605       9.63615077       0.20258092      -1.03046186      -0.10792829 
O       3.83937959       3.55813513       6.01899249      -1.07083111       0.40873363       0.07934138 
O       3.22421794       4.37264067       8.74269809       0.51709542       0.16672489      -0.73886691 
O      -0.80049360       0.86597792       7.00670462      -0.02884197      -0.00209206      -0.22173179 
O       1.31049957       4.06483690       5.11535519       0.92183673      -0.88012324       0.23120483 
O       2.71652604       1.13193103       0.24429107      -0.07706873       0.66406596      -0.58368550 
O       2.38956979       1.34383789       2.82030920      -0.51157070      -0.18294485      -0.15947948 
O       1.91957029       3.85521477       2.47078420      -0.42554110       0.00629210       0.89186542 
O      -0.25640290       1.80132155       4.31286121      -0.47064821       0.32686513       0.84198190 
O       4.54764600       3.32345763       0.86246829      -0.01340628       0.89216621       0.17084200 
O       4.24484732       4.36537806       3.46434053      -0.72108106      -0.59548249       0.31704920 
O       0.01043593       0.88535010       1.80040039       0.32764225       0.24493200      -0.24990531 
O       0.44847796       3.90903006      10.40062203       0.44632202       0.63765353      -0.54349149 
O       0.12136614       6.08194982       1.79598006      -1.23379666      -0.71651918      -0.17337213 
O       4.13312915       9.54928894       3.55923852       0.71861835       0.12364188      -0.35605550 
O       4.54384329       8.50430327       0.91541350      -0.05783365       0.39229879      -0.18122172 
O       9.76738725       3.48292550       0.79151720       0.07745647       0.27101658       0.22574218 
O       9.22831292       4.37432109       3.41404662       1.23501707       0.24684163       0.42451127 
O       5.23642947       0.79435127       1.81231404      -0.58816493      -0.34941392      -0.14658907 
O       7.10711236       6.52331284       5.40895565      -0.14678225      -0.16791608      -0.64198993 
O       1.84569360       6.55124039       5.29076326       0.26174583      -0.28629664       0.57526662 
O       1.58403650       6.45231782       7.94924259      -1.20275874       1.11713345       0.51019496 
O       0.99037731       9.10539817       7.80484233      -0.10709572      -0.61499866      -0.37963274 
O       7.02941364       3.82591278       2.50968488      -0.27863652      -0.37552283       0.17861803 
O      -1.34227761       6.94569943       9.62819080       1.26988690      -0.97029905      -0.12068960 
O       3.25458176       9.54194549       8.79555079       0.45185212       0.20145056      -0.26122416 
O      -0.86945553       6.15892798       6.97626699       0.41451684      -0.91602575       1.14773742 
O       1.47091115       9.27524864       5.21529199      -0.34601867      -0.83198411      -0.17693109 
O       2.83040119       6.41504544       0.14810760      -0.33588397      -0.15178770      -0.81873414 
O       2.38389751       6.51039479       2.77494531       0.27590032       0.07857877      -0.27462844 
O       1.85595018       9.02373710       2.60027542       0.13346862      -0.19624998      -0.91244494 
O      -0.49356789       6.95097427       4.46245317       1.03577184      -0.31300091      -0.36635003 
O       3.74783080       8.64022974       6.13414674      -0.07306623       0.17852075      -0.22567860 
O       5.60214440       9.10469132      10.42066303       0.69918681       0.18610858       0.06261049 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003755759472382884 -0.00023848373209266592 0.0008516767329426256 -0.00023848373209266592 0.0005653828599419293 -0.0033254166306207035 0.0008516767329426256 -0.0033254166306207035 -0.005290846539607677" pbc="T T T" energy=-973.23820884 free_energy=-973.23820884 config_type=crystal 
Hf       0.70499672       0.17944528       3.69097708       1.17573717       0.05678268       0.45113635 
Hf      -0.09421593       5.43240612       8.88457349      -0.27749220       0.18880195       0.59528042 
Hf       0.24454328       7.59052418       6.30094129       1.52544949       0.87165166      -0.11462346 
Hf       5.93220567       5.41109884       3.76744171      -0.25465925       0.97063419      -0.21530361 
Hf       8.61563797      10.19983863       1.50679280      -0.29380031      -0.74518472       0.86869690 
Hf       8.10816481       8.03374841       4.15155962      -1.06741479      -0.40035250       0.19461536 
Hf       6.32582884       7.53344145       1.08692617       0.54957201       0.84538689       0.64111114 
Hf       1.27042679       7.60216879       1.10295941      -0.55116872      -0.50781844      -0.28606562 
Hf       2.97865016       7.98769166       4.19731676       0.53954621       0.20888216      -0.37428445 
Hf       3.44967781      10.20294117       1.51187939      -0.44213474      -1.61187098       0.70818666 
Hf       0.73703603       5.43992266       3.65002395       0.32638303      -0.21106787       0.50955352 
Hf       5.48648723       2.35612737       6.36575520      -0.13986122      -0.17427723       0.25641843 
Hf       2.61151295      10.18461487       6.82086463      -0.78016611       0.12895479      -0.63980821 
Hf       5.92838754       0.22088926       3.71159666      -0.11560170      -1.35058483       0.27506088 
Hf       5.01057390       5.46820328       8.95618076       1.11943457      -1.41963565      -0.11768613 
Hf       7.77236079      10.21904405       6.83608082      -1.10993887      -0.39724107       0.30119966 
Hf       7.27133688       2.83206659       9.39569157       0.71936139       0.54350327       0.44418452 
Hf       2.18157042       2.74469055       9.38299153      -0.54386098       1.63976924       0.00132352 
Hf       3.44826567       4.96353770       1.52181714      -0.16479657      -0.06402568       0.02669841 
Hf       3.04949474       2.74860883       4.15474445      -0.57539790       0.74675421      -0.52362079 
Hf       1.28251899       2.36133489       1.06777468      -1.06300539       0.51270108      -0.00651594 
Hf       5.06480692       0.20915737       9.05669583       0.54348674      -0.46424601      -1.10465707 
Hf       7.66456551       4.98940715       6.71643579       0.70335477       0.42026457       1.27417955 
Hf       0.40218368       2.42882245       6.31863855      -0.71013507       0.09641621      -0.00605943 
Hf       8.15971067       2.82911606       4.13561480       0.71107711      -0.37810975       0.93929369 
Hf       6.31349078       2.31755600       1.12332865       1.01900459       0.95873394      -0.17478148 
Hf       5.45562751       7.68147531       6.43699569       1.05989078      -0.68629375      -1.11476831 
Hf       7.27794040       7.99108804       9.47907021       0.30197431       0.08089267      -0.25621044 
Hf      -0.06421055       0.21382698       8.97742691      -1.31770652      -0.19314994      -0.06366114 
Hf       2.64752698       4.94520932       6.76211134      -1.52394496       1.07587457      -0.06578360 
Hf       8.54896187       4.94300679       1.52603701       1.09668339      -0.04129817      -0.31827144 
Hf       2.18598358       7.98075707       9.39769907      -1.55799165       0.91839260      -0.55085022 
O       8.90479474       3.50537913       6.01173543       0.47947065       0.07033476       0.00059682 
O       3.81993114       1.62075038       9.77790919      -0.33402159       0.29270499      -0.23493407 
O       6.18170209       3.81675675       7.74351628      -0.47160004       0.57725530      -0.20903857 
O       8.44934492       4.38048274       8.60809099       0.03786521      -0.74100729       0.31415290 
O       4.25378837       0.89920639       7.08743784       0.47539820       0.33200438       0.41433110 
O       6.61957670       3.98912687       5.20358772      -0.58671802      -0.57784387      -1.31959860 
O       6.55346752       1.37670915       7.98222850       0.04906679      -0.48742039       0.74875989 
O       9.27352634       9.49197337       3.45949136       0.32739076       0.99970415      -0.52776317 
O       5.70753836       3.97143043      10.36784445      -0.11964370      -0.27431942       0.08825409 
O       6.58374547       6.52698820       8.07383770      -0.00895306       0.26984417      -0.81795862 
O       6.11023407       9.08024939       7.87043455       0.31990100       0.08533161      -0.25896090 
O       3.80658012       6.84792956       9.68314320      -0.07107718       0.23488166       0.43523270 
O       8.79615291       8.67339483       6.07009632       0.85953838       0.20209963      -0.16237553 
O       8.50476126       9.45850134       8.69544966      -0.21260820      -0.02389265       0.15517750 
O       4.24740028       6.14933327       7.03380348       0.32663121      -0.26797843       0.75492247 
O       6.98830521       1.23617708       5.39399126       0.79967681       0.60434251      -0.29805261 
O       6.54728401       9.17387001       5.19127463      -0.39128603       0.04745336      -0.38797605 
O       7.52001616       6.53180098       2.77827294      -0.44201830      -0.84559858      -0.45637212 
O       6.91426538       9.00373183       2.47791988       0.70224303       0.72857753       0.48493238 
O       4.79274322       6.89134219       4.52257081      -1.14293537       0.32434049      -0.30040042 
O       9.77981723       8.69391203       0.87701338       0.70381019      -0.48130255      -0.50642920 
O       7.94953774       1.23749114       0.14813763      -0.29606654       0.50367076      -0.21112266 
O       5.13008884       6.11153909       1.85675210       0.05285690      -0.26077927       0.02096214 
O       7.93421641       6.48370732       0.10068581      -0.33821926      -0.29153567       0.68876992 
O       7.49306672       1.33220658       2.74387387      -0.18164119      -0.49851422       0.04830121 
O       0.56962452       9.03684944      10.41326095      -0.46849530       0.84709673      -0.09954700 
O       4.74891224       1.64205027       4.45672531      -0.54878343       0.79665280       0.16195083 
O       2.04220551       1.29067137       5.29989982      -0.84421328      -0.72425482       0.76445908 
O       1.49107225       1.39575123       7.92248406      -0.13868346      -0.11547314       0.18141215 
O       1.05914108       3.97161912       7.81473955      -0.10454405      -0.91023098      -0.70451215 
O      -1.41475817       1.60147336       9.79753563       0.45715153       0.23381756      -0.26640533 
O       3.70195217       3.44403026       6.07952049       1.09701378      -0.60706246      -0.75702493 
O       3.45496104       4.17414270       8.60610134      -0.50197024       0.17478682       0.03088770 
O      -1.00230493       1.04721387       7.24727155       1.45036600       0.37742849      -0.66067727 
O       1.37582644       3.93225008       5.11122279       0.52351592      -0.13860046       0.10745740 
O       2.82065556       1.18970814       0.04547404       0.22136048       0.69577909      -0.14316925 
O       2.42265453       1.38599381       2.68705866      -0.24726619      -0.78048403      -0.10198648 
O       1.90257279       3.82299176       2.46290267       0.46955928       0.83682123       0.58154860 
O      -0.37963940       1.62602823       4.57748687      -1.05793864       0.48320352      -0.35625090 
O       4.69921824       3.52339622       0.72763815      -0.70855045       0.23295484       0.04827814 
O       4.29520440       4.25177317       3.40677759      -0.51223612      -0.11763703      -0.10641429 
O       0.08685358       0.87691547       1.85428687      -0.88008379      -0.38685510       0.04675900 
O       0.36222248       3.89581453      10.34997382       1.69711723       0.18477565      -0.13072625 
O      -0.00995492       6.08209081       1.79190069       0.45350939       0.12084336       0.27496812 
O       4.24385905       9.40664992       3.33104600      -0.21843197       0.28236158       0.31091319 
O       4.69082918       8.75924725       0.67671304       0.51500870      -0.25298579       0.70859785 
O       9.79784654       3.43236061       0.88394135      -0.49438453       0.22251243      -0.87604559 
O       9.44940101       4.17727860       3.35889408      -0.75107338       0.24953727       0.25993003 
O       5.04439521       0.97813201       1.83077302       0.95838381      -0.06368747       0.50122496 
O       7.04576768       6.54236542       5.40584023       0.02571200      -0.54438006       0.26075639 
O       1.83418024       6.47223778       5.32897038       0.44841565      -0.38485906      -0.01995713 
O       1.51167819       6.60777534       7.92303093      -0.44371666      -0.09312464       0.13121388 
O       0.88738875       9.18668477       7.77963777       1.05694340      -0.76605537      -0.62728135 
O       7.06159019       3.78581965       2.53144178      -0.45972946       0.59017549       0.03961668 
O      -1.32579903       6.82780252       9.75271052      -0.24887248       0.78397516      -0.00663830 
O       3.39668755       9.50975324       8.66004526      -0.93664266      -0.59377597      -0.15256098 
O      -0.90944073       6.20528418       6.98134833      -0.55463801      -1.70200921       1.16956405 
O       1.35566117       9.08334373       5.07785823       0.47428949       0.50877001       0.60261422 
O       2.82792162       6.49695422       0.04372286       0.30900291      -1.08461992       0.73958163 
O       2.40234917       6.52244286       2.76175321      -0.28349022       0.01094729      -0.70589362 
O       1.80941666       9.09848582       2.54608579       0.63908730      -0.55330727      -0.56074339 
O      -0.47959135       6.93117681       4.36633134       0.35957449      -0.23890117       0.40051202 
O       3.75447424       8.71623683       6.04684708      -0.27773615      -0.03057118      -0.18779342 
O       5.67640288       9.10766554      10.48122011       0.08565070       0.41131806      -0.85221698 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0046681699338899756 0.002089106311093664 -0.002266292793728925 0.002089106311093664 -0.0023951150267589776 -0.0005872040871063496 -0.002266292793728925 -0.0005872040871063496 -0.005844171315722148" pbc="T T T" energy=-972.86449278 free_energy=-972.86449278 config_type=crystal 
Hf       0.72491553       0.29286076       3.77939148      -0.02645195      -0.19307449      -0.77341229 
Hf       0.00967087       5.37216048       9.03948873      -0.53808911       0.30056183      -0.95853625 
Hf       0.39681688       7.56666338       6.32653058      -1.21237858       0.48554543       0.54198918 
Hf       5.94125536       5.32067366       3.70068865      -0.94741853       1.79459095       0.04819135 
Hf       8.64930972      10.20544201       1.49387424      -0.99545486      -0.79818234       0.83585803 
Hf       8.22505675       7.98367020       4.14875050      -1.01842174       1.09442554      -0.66450221 
Hf       6.38233832       7.53876087       1.10825895      -0.05424497       1.23392877       0.63389718 
Hf       1.24758876       7.54114419       1.08765974       0.17602347       0.79119162      -0.03331953 
Hf       2.95861941       7.98266068       4.11541272       0.93600566       1.08233831      -1.08023852 
Hf       3.41221243      10.15485644       1.48134011       0.56737605      -0.17728430       0.59734882 
Hf       0.77475237       5.30922802       3.76409717      -0.63022952       1.85588694      -0.95934624 
Hf       5.47283700       2.42418017       6.36992908      -0.84151630      -0.85050019      -0.93589871 
Hf       2.62959301      10.10759286       6.70887411      -0.69511407       1.15131896       0.36367321 
Hf       5.87068734       0.25469450       3.66106196      -0.25961746      -0.59181163       0.04058804 
Hf       5.01868145       5.40134713       8.97442752      -0.29696444      -0.27735458       0.60986337 
Hf       7.65548424      10.16937054       6.74893709       0.40669477      -0.53017944      -0.04095976 
Hf       7.25277436       2.81248847       9.44079830       0.76480306       0.03966980       0.23055983 
Hf       2.16287656       2.75210132       9.41727951      -0.28829122       0.00092697      -0.73834543 
Hf       3.45352387       4.95932880       1.52578027       0.65617670       0.77543171      -0.31020257 
Hf       2.91088651       2.87981436       4.12492804       1.62302987      -1.20674096       0.97513688 
Hf       1.29129898       2.36786394       1.09074922      -1.33223199       0.17765608      -0.09368198 
Hf       5.05789612       0.27020493       8.97727948       0.72296017      -1.19751785      -0.27403385 
Hf       7.75583384       4.99618307       6.85408029       0.28762940       0.18609464      -0.32028005 
Hf       0.26838036       2.39362346       6.45061369       0.68817339      -0.42888897      -0.99149408 
Hf       8.11900351       2.86059055       4.19129761      -0.42057466      -1.50898514      -0.54150070 
Hf       6.34547999       2.37844209       1.09190040       0.37896598      -0.23327788       0.46814707 
Hf       5.45589075       7.54760519       6.31524224       0.46488179       0.77436396      -0.82144414 
Hf       7.28231589       8.00530175       9.39824500       0.26784131       0.24244892       0.55351068 
Hf      -0.15007085       0.20792020       8.95291172       0.89459478      -0.17130207      -0.25998765 
Hf       2.56645839       5.04795106       6.77958704      -0.42001158      -0.80108959       0.50223584 
Hf       8.60436558       5.01931925       1.54952157       0.27655921      -0.72428751      -0.71765661 
Hf       2.18408699       8.07754028       9.40182916      -0.91292919      -0.67306349      -0.02992799 
O       8.87790763       3.51576839       6.01510895       0.34926595      -0.12261175       0.66413946 
O       3.95581543       1.73013224       9.72709970      -1.44924338       0.24899582      -0.68907957 
O       6.15287051       3.77913817       7.80217381       0.05964078       1.01055113       0.42493609 
O       8.53083327       4.33232466       8.69962721      -0.41770555      -0.31794966      -0.28204184 
O       4.30954566       0.83912389       7.06847735       0.26309427       0.76057927      -0.33283742 
O       6.58757070       3.87239772       5.15490575      -0.65149810       0.83840041       0.29696080 
O       6.66534160       1.31837242       7.99500645      -0.27849527      -0.08662526      -0.04214151 
O       9.34302196       9.52123982       3.42464916       0.14720814       0.06134625      -0.06049105 
O       5.62725977       3.87347831      10.46127005       0.53888677       0.93416719      -0.75731770 
O       6.66753106       6.45305407       8.02972548      -0.17348992       0.44190568      -0.15829293 
O       6.14732651       9.03491498       7.87443096      -0.10813255      -0.55179694      -1.83725594 
O       3.83753624       6.93181062       9.79547121       0.37699530      -1.01193132      -1.58795775 
O       8.90186402       8.60105365       5.99800581      -0.10829793       0.62613341       1.11663252 
O       8.45301355       9.52240093       8.66408840      -0.25756448      -0.45142244      -0.17788423 
O       4.30970882       6.08502649       7.13986442      -0.16628328       0.35767407      -0.29311940 
O       6.99203453       1.28196295       5.39379511       0.18573296      -0.43132897      -0.20275222 
O       6.60062425       9.06064415       5.05582443      -0.30008467       0.98010461       1.06119926 
O       7.54953708       6.56262815       2.68726112      -0.08542195      -0.76694667       0.39307392 
O       7.03026219       9.10529260       2.49150732      -0.02124375      -0.38706688      -0.49635822 
O       4.75121948       7.04740941       4.31352232      -0.01305494      -1.18822579       0.68899247 
O       9.86366483       8.68448419       0.82966992      -0.58479594       0.00696655      -0.60678846 
O       7.99162572       1.26338344       0.10292495       0.37806284       0.34893505      -0.16784205 
O       5.18875952       6.09652865       1.86161271      -0.27695271      -0.82699224      -0.25700744 
O       7.94085721       6.43455696       0.07470925       0.28424449      -0.04772491       0.24322692 
O       7.37973787       1.35815343       2.62864685       0.83084442       0.21968742       1.23057603 
O       0.48318409       9.19766877      10.34101871       0.68295906      -0.79674473       0.16800359 
O       4.70306644       1.76980134       4.43745726      -0.41352189       0.41296829       0.11039577 
O       1.93462239       1.32264407       5.34312412      -0.70478149      -0.33494978       0.39691101 
O       1.44025807       1.33685623       7.96028469       0.17353058      -0.20819800       0.40399138 
O       1.02717857       3.86987007       7.80156499      -0.63165406      -0.28132353      -0.16492707 
O      -1.21063857       1.69535779       9.68799384      -1.43428299       0.89442291       0.35951815 
O       3.74154214       3.61075813       6.05404365       0.76178789      -0.91124712      -0.64444834 
O       3.28124647       4.23626929       8.60316054       1.30396894       0.89455041       0.62795580 
O      -0.88624802       0.87396504       7.07776428      -0.38947509      -0.18280918      -0.25307281 
O       1.38134783       3.91454242       5.17465651      -0.17864920       0.67403858      -0.34931622 
O       2.81064288       1.28401452       0.16648006       0.46775256      -0.25945417      -0.68887980 
O       2.34634452       1.45169383       2.73567154      -0.47289535      -0.54855649      -0.02923064 
O       1.77975971       3.93000723       2.44210784       0.32510685      -0.17028788       0.91104931 
O      -0.58126498       1.66035912       4.53363475       1.19488390      -0.08926624       0.28164783 
O       4.65566050       3.46459930       0.70951666       0.41166534       0.70088081       1.33974183 
O       4.11473467       4.35516918       3.38920885       0.54798424      -0.14839152       0.39135841 
O      -0.08267285       1.02482849       1.93482321       1.01517972       0.24608624      -0.42832814 
O       0.64480319       3.84461064      10.45732760      -0.95121949       1.26656329      -0.90011657 
O       0.05337036       6.07333720       1.78063976      -0.32740097      -0.34189714       0.39362654 
O       4.14358889       9.56854361       3.36259858       0.16261353      -0.22551630       0.54285788 
O       4.56237173       8.55764694       0.80399872       0.26336205       1.16958842       0.36581290 
O       9.86419621       3.55614144       0.70363602      -0.35012686       0.02029982       0.56423843 
O       9.30376243       4.28890289       3.41400398       0.60962687       0.50810126      -0.10348153 
O       5.07265049       0.91491746       1.78159038       0.38860958       0.00530089      -0.00563838 
O       6.88490206       6.42972620       5.33043374       1.45951056      -0.92741721       0.42162231 
O       1.93809146       6.58500179       5.38525393       0.51126279      -1.57486672      -0.13493795 
O       1.50654069       6.48973327       7.98695208       0.16797420       0.56472907       0.42870332 
O       1.07264106       9.01232367       7.77283707      -0.29641828       0.11586239      -0.85532483 
O       6.94589335       3.87106651       2.55467999       0.38905605       0.30575278      -0.15386544 
O      -1.18802322       6.93552048       9.67263442      -0.70117144      -0.03729478      -0.25845220 
O       3.34351971       9.54222634       8.60555405       0.19451047      -0.25980780       0.54877681 
O      -0.71849236       5.96227814       6.94661523      -0.61438806       0.20117714       0.64121844 
O       1.35096996       9.13727508       5.06770291       0.63815422       0.22275724       0.72187574 
O       2.89165468       6.49315864       0.07826202      -0.38789864      -0.96600654       0.74180923 
O       2.35391031       6.48596450       2.78397644      -0.29978255       0.11829288      -0.54507239 
O       1.87915328       9.14889028       2.45630841      -0.70094102      -1.04430971       0.22519999 
O      -0.36367777       6.92958990       4.40295255       0.47614511      -1.00086501      -0.16536685 
O       3.79318140       8.67172865       5.93519121      -0.36414623       0.27390766       0.80197235 
O       5.69401128       9.16844191      10.36867642       0.24473753      -0.50152291       0.25000581 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003998045831427476 0.006348840444894851 0.0032136250605311546 0.006348840444894851 -0.002315594081099202 -0.0018109041115275273 0.0032136250605311546 -0.0018109041115275273 -0.0006190068604950648" pbc="T T T" energy=-972.8479978 free_energy=-972.8479978 config_type=crystal 
Hf       0.82634088       0.18201127       3.63464217      -1.01111449       0.41985104      -0.02408140 
Hf      -0.16042786       5.42762731       8.88677158       0.29657553      -0.64598414       0.20830117 
Hf       0.31519130       7.62535234       6.28807691      -0.88466916      -0.40138467       0.69569351 
Hf       5.95757749       5.48912144       3.72888282      -0.51324945      -0.49682508      -0.05922506 
Hf       8.57692826      10.11342285       1.56346760       0.23623973       0.81352153      -0.89632635 
Hf       8.09470581       8.06283365       4.17022010       1.04689744      -0.78429054       0.50410149 
Hf       6.35726839       7.61200092       1.07894205      -0.51980837      -1.04727413       0.02624118 
Hf       1.22625303       7.53912806       1.01503160       0.17964116      -0.05098686       1.39968866 
Hf       3.00837541       8.05277200       4.22118616       0.73808183      -0.11659411      -0.97671866 
Hf       3.44615113      10.15705544       1.51305745       0.63097346      -0.52920777       0.25341084 
Hf       0.81201446       5.47099006       3.70967295      -0.19208628      -0.73851349      -0.21834975 
Hf       5.50197215       2.32771968       6.43845443       0.40983378       0.16562038      -0.74739168 
Hf       2.52631831      10.22402079       6.79686628       0.21089916      -0.47412857       0.28820146 
Hf       5.98911739       0.21325104       3.74436751      -1.12630847       0.40541240      -0.49263991 
Hf       5.06591247       5.46308668       8.96534221      -0.76078806      -1.42587219       0.06502481 
Hf       7.70690664      10.24097557       6.82978509       0.52558204      -1.34260010      -0.28643108 
Hf       7.29754608       2.77978605       9.42018440      -0.89586151       1.09113977       0.00211325 
Hf       2.11883184       2.82386730       9.40946109       0.25493635       1.07009227      -0.56683118 
Hf       3.48568062       4.90630473       1.59468406      -0.34892930       1.06307213      -0.53510128 
Hf       3.17447346       2.75451623       4.21100249      -1.74242171       0.65362837      -0.20437411 
Hf       1.28796210       2.35634515       1.04796826      -0.88762059       0.84081512      -0.14106475 
Hf       4.94819803       0.21962414       9.02131358       0.25547557      -0.55699430      -0.56373042 
Hf       7.68436778       4.95464382       6.72637249       0.13076032       0.21494393       0.90207723 
Hf       0.36650178       2.36404873       6.22525076      -0.03151362       1.02061670       1.00525555 
Hf       8.12521576       2.82890025       4.17532780       0.20597837       0.33073224      -0.17122315 
Hf       6.37476677       2.32254282       1.09223799      -0.11630795       1.65608425       0.18013524 
Hf       5.49986208       7.61335176       6.36584698      -0.32720890      -0.58473983       0.09861187 
Hf       7.27006355       7.96353806       9.46180315      -0.83189079       0.42530122      -1.00942809 
Hf      -0.14278825       0.22897031       8.93421669       0.98513762      -0.58932952       0.34815270 
Hf       2.57402558       4.94680600       6.77662451       0.71276637       0.42069938       0.04138129 
Hf       8.57620840       4.97135931       1.60503218      -0.06133971      -0.50880733      -1.18353338 
Hf       2.04225123       7.96294706       9.38493708       0.83046882       0.18994529       0.53094489 
O       8.97089478       3.55210959       6.02223360       0.05071781      -0.55663521      -0.53476795 
O       3.85071511       1.81687655       9.71529368       0.68899299      -1.39791708      -0.38127457 
O       6.12012537       3.72234845       7.80767213       0.24895448       0.82877535       0.08991211 
O       8.42613901       4.34357403       8.63303985      -0.06895112      -0.27054458       0.01437435 
O       4.29410005       0.77886475       6.99295704       0.82917794       0.25226807       1.58680638 
O       6.53586303       3.86926525       5.21442107       0.28678617       0.99181142      -0.48031471 
O       6.69994206       1.26030760       7.98866798      -0.84927445      -0.04384711       0.45021635 
O       9.30030167       9.51558760       3.40939349       0.45671236       0.07132110       0.18699960 
O       5.61449744       3.89834790      10.40217244       0.50181335       0.19582872       0.19664712 
O       6.62343477       6.42829826       7.91826923       0.03225898       0.72426339       0.60639322 
O       6.14967417       8.96267998       7.85825439      -0.22705490       0.59707361      -0.39634000 
O       3.82030326       6.91033128       9.59837880      -0.25702798       0.57789098       1.10110356 
O       8.88468413       8.72544772       6.04834572       0.19684753      -0.11186963      -0.41383588 
O       8.47976752       9.40222439       8.64653793       0.38319690       1.21706563       0.20503620 
O       4.26161267       6.12545128       7.07773477       0.13204089       0.05484516      -0.65976717 
O       7.15878562       1.33305286       5.35696557      -0.35361047      -0.69183151       0.21924057 
O       6.59944864       9.21295830       5.20887855      -0.34895657      -0.11803109      -0.04936847 
O       7.56814410       6.54710869       2.73380107      -0.59773769       0.55722460      -0.12744550 
O       6.89732531       9.08497085       2.57511991       0.81651378      -0.61844956      -0.41567431 
O       4.76012859       6.98411672       4.42794216      -0.21458977       0.19934385       0.60028960 
O       9.79382190       8.64630785       0.82173641      -0.55970793      -0.44754503      -0.54326984 
O       7.96226654       1.26915868       0.12532532      -0.09599113      -0.66835366      -0.45399728 
O       5.09433256       6.15553368       1.91124362       0.69963104      -0.16183887      -0.22442815 
O       7.85743948       6.39784108       0.11898633       0.93268516       0.75716551      -0.14852716 
O       7.53871080       1.28459970       2.64830573      -0.38201956       0.83407299       1.02755625 
O       0.52100785       9.06683594      10.37145865      -0.05145995       0.42333223      -0.00937003 
O       4.77335738       1.69777790       4.48586307       0.94528723      -0.64080882       0.14680280 
O       1.97255820       1.30126417       5.38801013      -0.12651510      -0.49134826      -0.59623672 
O       1.58128034       1.32314468       8.07653740      -0.56426935       0.11872988      -1.03147989 
O       0.99624675       3.90793544       7.63094686      -0.24299774      -0.50459742       0.75599542 
O      -1.19356807       1.83470942       9.57450908      -0.16175128      -0.56784731       0.38640031 
O       3.80778763       3.35386037       6.13870903      -0.82606120       0.87734680       0.09358226 
O       3.33011815       4.38810652       8.68490340      -0.84259526      -0.83544683      -0.32018253 
O      -0.75284190       0.87511888       7.04571523      -0.68144420      -0.08330299      -0.02432134 
O       1.57928055       3.98945385       5.10949492      -0.37432760      -0.30185394      -0.41034309 
O       2.85703933       1.20581476       0.08414728      -0.46477154       0.18909644       0.14746614 
O       2.30562624       1.33874072       2.65480139       0.39268764       0.47488159       0.91563079 
O       1.79337384       3.97158930       2.39356500       0.55447053      -1.10523143       0.22233071 
O      -0.40488071       1.70921782       4.42640130       0.17853995      -0.16310077      -0.59758013 
O       4.66121046       3.50499199       0.79778804       0.20726699      -0.21147076       0.45972582 
O       4.20631658       4.31133180       3.55838188       0.18267872       0.52814841      -0.91089895 
O       0.06630724       0.72040469       1.67920946       0.31134157       1.05833653       0.20701681 
O       0.60936110       3.88669975      10.32475016      -0.81157801       0.26610782       0.12930916 
O       0.01291016       6.05163281       1.81502204       0.27815667       0.61223962      -0.37825739 
O       4.26090099       9.54850156       3.39875640      -0.94922554      -0.46346542       0.58001700 
O       4.69216446       8.62934248       0.86243416      -1.37592736       0.74764868      -0.49803025 
O       9.78292151       3.48012739       0.71883435       0.53177284      -0.26173122       0.94814753 
O       9.29136171       4.32855870       3.42074946       0.47390616      -0.28656243       0.34642766 
O       5.03627249       1.00346792       1.90183468       1.00037763      -0.09981995      -0.34804712 
O       7.10484939       6.50545940       5.30520734      -0.54534145      -0.42139777       0.40800119 
O       1.82056078       6.54968091       5.28769457       1.19833586      -0.43107009       1.32238501 
O       1.41510373       6.56015017       7.99196212       0.09116845       0.04697122      -0.78856916 
O       0.97758783       9.16523837       7.73085184      -0.06003122      -1.21487116       0.07001980 
O       6.91079216       3.95277050       2.58201344       0.58213451      -1.33323887      -0.38326707 
O      -1.30056858       6.97143807       9.59735552       0.16585040      -0.54910673       0.75119336 
O       3.25245687       9.49092000       8.84770573       0.51195934       0.97916562      -1.05026135 
O      -0.94956020       6.15180336       7.08230799       0.58773619       0.02348847      -0.39344358 
O       1.38189708       9.17952191       5.13207412       0.52884942       0.11512571      -0.09158173 
O       2.72429020       6.42037940       0.10455160       0.59077994      -0.41402082       0.12105271 
O       2.36239897       6.55906127       2.82339165       0.05244936       0.26698083      -0.84897818 
O       1.85347272       9.07351378       2.48137467       0.31155917      -0.26475136       0.30084509 
O      -0.43737285       6.87029966       4.46661361      -1.01463127       0.99718924      -0.17337982 
O       3.82746926       8.75601327       6.07701998      -0.92609566      -0.24665303      -0.13179784 
O       5.59836941       9.13818475      10.39543894       0.59041047      -0.09789505       0.68693529 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0036601394901592615 0.0038095987363442625 -0.0021147890663316313 0.0038095987363442625 0.0011178959277945795 -9.534574279564971e-05 -0.0021147890663316313 -9.534574279564971e-05 -0.01707055602667798" pbc="T T T" energy=-973.35403341 free_energy=-973.35403341 config_type=crystal 
Hf       0.72038176       0.25197162       3.71467102       1.56412575      -0.34694155       0.00753292 
Hf      -0.14721911       5.42151958       8.93970986       0.03200005      -0.90043726      -0.95228824 
Hf       0.35410222       7.50797255       6.33510935      -0.59393068       0.90395062       0.30824420 
Hf       5.91991064       5.43798841       3.76144052      -0.94876063      -0.62804221      -0.21546992 
Hf       8.62651665      10.17096098       1.58008415      -0.37805510      -0.18244271      -0.03342841 
Hf       8.18172701       7.98587876       4.15428053       0.05475120      -0.60300430       0.25083821 
Hf       6.37625380       7.53887423       1.12934234      -0.70779930       0.15469788      -0.18011774 
Hf       1.22989912       7.64334729       1.01958718       0.16097896      -1.08278059       1.61429899 
Hf       3.07955919       8.02054681       4.17614023      -1.31942827      -0.34274948      -0.58521742 
Hf       3.54252133      10.15839548       1.59133469      -0.77004356      -0.03018289      -0.95866405 
Hf       0.81890579       5.44153763       3.68853118      -0.80678815      -0.03152954      -0.11766695 
Hf       5.39452783       2.33858326       6.32570471      -0.14747771      -0.04490265      -0.26263579 
Hf       2.52857964      10.17549250       6.71071969      -0.42898333       0.41651780       1.23649176 
Hf       6.01121322       0.19325814       3.74690792      -0.99283547       0.61068624      -0.06571278 
Hf       5.05354957       5.44105479       8.96537329      -1.48458280      -0.06422463       0.29146941 
Hf       7.78478362      10.16929459       6.80735804       0.03614354      -0.29931048      -0.64057061 
Hf       7.18823202       2.78719434       9.45009846       1.41126919       0.80238040      -0.95033083 
Hf       2.16645823       2.83049735       9.44847360      -0.60586645       0.24330108      -0.95270834 
Hf       3.44368006       5.00962136       1.46986896       0.32595285      -0.23082541       1.07422172 
Hf       2.97102589       2.85054511       4.08409032       0.13350717      -0.18852268       0.64726452 
Hf       1.21756994       2.38787565       1.08184892       0.25227893      -0.09953439      -0.31980264 
Hf       5.05515446       0.19828445       9.02409414      -0.75990157      -0.68540231      -0.91410299 
Hf       7.58124140       4.92070298       6.79597383       2.07806972       0.12089995      -0.21946875 
Hf       0.33533895       2.40716149       6.32636331       0.53715186       0.38037689       0.41284547 
Hf       8.18868258       2.81824791       4.15640732      -0.73457883       0.41841610      -0.25657821 
Hf       6.38064701       2.35820367       1.07463334      -0.69824659       0.36478211       1.23311221 
Hf       5.51342335       7.61387273       6.40867855      -0.60630477      -0.34841127      -0.83573493 
Hf       7.29009433       8.02849913       9.42037635      -0.05469763       0.46956415      -0.81419059 
Hf      -0.05292076       0.26979410       9.00194924      -0.67410477      -0.46250738      -0.07147934 
Hf       2.58209872       4.98019823       6.72595835      -0.52929502      -0.21391219       0.37182178 
Hf       8.56217634       4.92876866       1.52645724       0.81263187       0.82414087       0.28867139 
Hf       2.10265147       7.97494526       9.37436625       0.65071884       0.77754657       0.32542331 
O       8.91613768       3.42073303       5.98009517      -0.96696875       1.15175830       0.22428688 
O       3.77895347       1.59587227       9.72599945       0.22563138       0.71125902       0.55029869 
O       6.08240940       3.89079218       7.80875768      -0.35232787      -0.29224846      -0.05908134 
O       8.51594594       4.17029268       8.49744643      -0.56166636       0.09203780       0.89104808 
O       4.24117009       0.89865633       7.14648525      -0.15911831      -0.05211067      -0.16081414 
O       6.55566843       3.92455014       5.18334091      -0.10874846      -0.49719562      -0.25461010 
O       6.55578790       1.38209018       7.99930182       0.36861897      -0.39920468       0.24498308 
O       9.44548002       9.35043718       3.36902315      -0.33881126       0.74786694      -0.31204326 
O       5.64177722       3.96791259      10.40117289       0.10399935      -0.80699143      -0.15716986 
O       6.59687455       6.57808382       8.01455161       0.06789166      -0.11834041      -0.07093030 
O       6.12050757       9.13911302       7.73836900       0.38423656      -0.35595216       0.41944546 
O       3.71535536       6.79765653       9.84839973       0.86226025      -0.33002984      -0.66461956 
O       8.83074084       8.54694109       5.98370044       0.22899184       1.54256371       0.92002007 
O       8.55789155       9.45175950       8.54253804      -0.57515572      -0.42444679       1.19134922 
O       4.34844911       6.03566978       7.06634857      -0.20491159       0.61173022       0.26422501 
O       7.01655454       1.16041987       5.33247369       0.22912980       1.24696355       0.54652351 
O       6.60184230       9.14401775       5.16220124      -0.42621790      -0.97194135      -0.20659639 
O       7.50119093       6.45867959       2.78863040      -0.09285939       0.47086618      -0.33844578 
O       7.03146984       9.06199666       2.55270137       0.23299443      -0.21169879      -0.15091018 
O       4.66547944       6.83025868       4.58421764       0.11519549       0.60655730      -0.24232950 
O       9.80504337       8.72909004       0.74329410       0.97737994      -0.06750565       0.20715386 
O       7.91946020       1.27370547       0.24226498       0.53808811       0.01177542      -1.56636523 
O       5.06210138       6.24135482       1.99477315       0.49392169      -0.18490835      -0.46935288 
O       7.91130621       6.44643639       0.09597734       0.34516031       0.18318187       0.21710192 
O       7.53676051       1.34810736       2.73183442      -0.04679761      -0.35739742       0.56179478 
O       0.56263011       9.14385224      10.36684396       0.14805515      -0.50357100       0.12416981 
O       4.64493869       1.68402914       4.50466689       0.82869024      -0.50781377      -0.50442628 
O       1.94290903       1.32045048       5.38149158      -0.57828090      -0.16483100       0.14450862 
O       1.42511917       1.30580909       8.07811533       1.24554716       0.91825052      -0.55476810 
O       0.88990385       3.95616199       7.64492356       0.71525234      -0.62943398       0.26532554 
O      -1.36354521       1.66039704       9.76903326      -0.23882092      -0.29702316      -0.24873571 
O       3.67547862       3.47735651       5.98221734       0.90616081      -0.05528810       0.58461522 
O       3.23456254       4.36388955       8.61305094       0.64212962      -0.55518820       0.48081222 
O      -0.79551022       0.94734515       7.14476914      -1.24728297      -0.52101081      -0.71538189 
O       1.37723149       3.94480665       5.08387885       0.27369173      -0.14126816      -0.41834163 
O       2.81732367       1.28349656       0.15585798      -0.00747790      -0.00892610       0.38160317 
O       2.34434291       1.34645531       2.78870265      -0.19830727      -0.54892810      -0.67801273 
O       1.88534346       3.83661759       2.42244413      -0.16471888       0.48666778       0.10178681 
O      -0.44801347       1.69037907       4.42101765       0.13424412      -0.21424321       0.57779984 
O       4.74385216       3.59604506       0.73528100      -0.06744360      -0.41235793       0.10389402 
O       4.11988585       4.35969208       3.39198993       0.84377272      -0.12209849       0.16245220 
O      -0.04321999       1.00369120       1.88878938      -0.08249893      -0.44163204      -0.26104535 
O       0.56363824       3.89654071      10.32136109      -0.14610748       0.30511979       0.14517031 
O      -0.01944780       6.13541755       1.92770119      -0.16329351       0.58428850      -1.40478895 
O       4.23335329       9.46996277       3.37095852       0.67803318      -0.09869145       1.11409407 
O       4.74535429       8.73523652       0.78745022      -0.48790718       0.09564784      -0.18146056 
O       9.86736838       3.62812967       0.62679504      -0.14372467      -0.15202370       0.71351938 
O       9.34840901       4.25038970       3.30811115       0.34420988      -0.28773783       0.59013507 
O       5.24618572       0.85725329       1.87571059      -0.32909887       0.61099315      -0.25119716 
O       6.97554442       6.39025918       5.38729000       0.29807518       0.83473474       0.07197629 
O       1.90747474       6.44403613       5.36724134       0.45369951       0.37629218      -0.12652950 
O       1.42276143       6.52702841       8.00013210       0.35037565       0.12450973      -0.20317907 
O       0.92450847       9.05966612       7.68156021       0.97808069       0.23254116       0.59085104 
O       6.97504945       3.84796504       2.51561225      -0.03702335      -0.06206586      -0.05328623 
O      -1.34462079       6.88988069       9.68911373       0.30844759      -0.14155362       0.59753015 
O       3.43155513       9.36328707       8.67687413      -0.66858097       0.18517251      -0.43839787 
O      -0.93665888       6.20565428       7.09929384      -0.63122405      -1.33384625       0.45946245 
O       1.37320356       9.24061269       5.09676905       0.63838149      -0.97816222       0.24189920 
O       2.87764926       6.42387885       0.09160017      -1.20347283       0.86273423      -0.20044475 
O       2.31791685       6.50098679       2.72041010       0.55644813       0.47653521      -0.07121671 
O       1.89560230       9.01877885       2.50727395       0.15881579       0.35622690      -0.44241782 
O      -0.38432567       6.87012448       4.52061266      -0.52069230      -0.42881398      -0.89789635 
O       3.67291582       8.68923702       6.04661607       1.14168566      -0.50364960      -0.06996911 
O       5.78192981       9.09747640      10.41995917      -0.84474782       0.62920154      -0.17477431 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0007379484787448972 -0.0014613901299039601 -0.0020533750070309354 -0.0014613901299039601 -0.0038836016511669728 0.0014904513765827136 -0.0020533750070309354 0.0014904513765827136 4.826944732309504e-05" pbc="T T T" energy=-972.93501459 free_energy=-972.93501459 config_type=crystal 
Hf       0.79052976       0.19786936       3.79670600      -0.40649974       0.04176702      -1.25700687 
Hf      -0.11973810       5.40431647       9.00230038       0.35789773       0.43880571       0.26377490 
Hf       0.35109761       7.52714753       6.41376913       0.55284056       0.88852667      -0.43698490 
Hf       5.89538014       5.39152768       3.55870341       0.48328524       0.44152751       1.27619719 
Hf       8.61974398      10.23435394       1.57387652       0.68900580      -0.74661937      -0.54883718 
Hf       8.20731082       7.92884165       4.24202405      -0.24123738       0.93618937      -1.17282034 
Hf       6.39918041       7.65894915       1.12443342       0.65770746      -0.69499392      -0.24929570 
Hf       1.33365148       7.60033916       1.11439853      -1.44902057       0.08523928      -0.76901407 
Hf       3.02245536       8.04091854       4.13953151      -0.06182932      -0.30282151       0.47474770 
Hf       3.43902157      10.23171179       1.51600055       0.05041229      -0.30969856       0.55951686 
Hf       0.77313419       5.40526666       3.67238726       0.32773133      -0.40197951       0.67384799 
Hf       5.38274784       2.31036217       6.31690858       0.38078072       1.46258454       0.11930646 
Hf       2.56386330      10.12292904       6.81055558      -0.05780493       1.00698435      -1.18720173 
Hf       5.92377595       0.24443741       3.73485871      -0.32127420      -0.72593562      -0.44098534 
Hf       4.99289260       5.43320887       8.93302739       0.16174378       0.27650704      -0.35496772 
Hf       7.70290178      10.20912984       6.80828577      -0.00865380      -0.99961326       0.09073924 
Hf       7.27059493       2.79045938       9.37441844      -0.03754876       0.12945158       0.42067681 
Hf       2.13293006       2.80066837       9.38101753      -0.39175388      -0.07001517       0.07770910 
Hf       3.44298981       4.96910441       1.54299892      -0.25542553      -0.40860269      -0.67706626 
Hf       2.96298535       2.79684578       4.17130030      -0.58822657       0.69650891      -0.68588815 
Hf       1.21811072       2.36017346       1.05360645       0.39130730       0.14194709       0.10834952 
Hf       5.04370192       0.19020246       8.93981550       0.13011740       0.97444099       0.66117105 
Hf       7.74472441       4.92532791       6.80947339      -0.52614109       0.28497171      -0.32398780 
Hf       0.33780986       2.31768629       6.38802610       0.10854082       0.89083943      -0.28205521 
Hf       8.10077582       2.90625559       4.20737485       0.71001679      -0.70828512      -0.54609339 
Hf       6.38737629       2.41082043       1.12062076      -0.58789489      -0.33881539      -1.05346820 
Hf       5.54099673       7.49265861       6.26134011      -0.91452310       1.16622656       0.03224265 
Hf       7.21223060       8.01468689       9.44285054       1.64866929      -0.05040174      -0.20109086 
Hf      -0.12040499       0.15361013       8.97460047       0.44264656       0.64270450       0.03844938 
Hf       2.51481368       4.96793394       6.77735483      -0.27158967       0.05284271      -0.82979935 
Hf       8.68266217       5.02970902       1.47094747      -1.00276269      -0.18299750       0.52835803 
Hf       2.20240839       8.08546641       9.40700879      -1.13011145      -1.10376679       0.56200624 
O       8.79267870       3.34193252       6.13166429       0.17551986       0.77475577      -0.26899357 
O       3.90771555       1.85079557       9.59770151      -0.09797737      -0.53388727       0.08826454 
O       6.13143975       3.79367284       7.76643633      -0.00687688       0.58846589      -0.63350226 
O       8.47191042       4.32249326       8.70726544      -0.48794821      -0.00242805      -0.24627716 
O       4.35009947       0.78339689       7.02310600      -0.65700842       0.13454867      -0.07241380 
O       6.57321164       3.99550817       5.07496406      -0.26527859       0.02748480       0.49499659 
O       6.53055179       1.35973701       8.02783853       0.93783932      -0.67665866      -0.67716055 
O       9.33757404       9.51952116       3.40642519       0.07033577       0.26009363       0.87782148 
O       5.73380391       4.03961269      10.30281622      -0.11669535      -0.25499909       0.67575694 
O       6.62260107       6.51696644       7.96107644      -0.37190119      -0.17381996      -0.01201116 
O       6.06131402       9.07240711       7.75974000       0.66070122      -0.35056286      -0.30007329 
O       3.93043931       7.06757999       9.63913399       0.31857487      -0.65638942      -0.23193819 
O       8.87852181       8.57862724       6.20619535      -0.45945717       0.79773405      -0.72888215 
O       8.49645859       9.48892215       8.71620396      -1.31440439      -0.01092392      -0.73116614 
O       4.21885210       6.09727405       6.98749715       0.87495909       0.13387415       0.42300722 
O       6.98859947       1.32765594       5.33442827       0.16351113      -1.02041839       0.63276369 
O       6.59236363       9.06496995       5.08540259       0.21553326       1.14816050       0.52415486 
O       7.49615505       6.57226474       2.71839955       0.30719681      -0.14114693       0.00934489 
O       6.99731571       9.06915121       2.50477764       0.21270752       0.72159483       0.03312176 
O       4.77465132       6.90773652       4.37167929      -0.53574499       0.29021371      -0.01307632 
O       9.83023327       8.76543186       0.81480550       0.06131090      -0.77441323      -0.21600245 
O       7.93839715       1.31938630       0.09973907       0.12012141      -0.25379932       0.58145280 
O       5.27881659       6.03668076       1.67294597      -0.95528393      -0.20485729       0.13120920 
O       8.03812245       6.54662461       0.18509623      -0.51127924      -0.05829918      -0.73690839 
O       7.43499648       1.40562731       2.78850944       0.68521305      -0.39838479      -0.28440953 
O       0.55012192       9.12138998      10.42148470       0.39364479      -0.51893075       0.17685432 
O       4.68828347       1.77487368       4.36384155       0.56332199      -0.46355267       0.55387646 
O       1.96017174       1.36921795       5.50938650       0.51245512      -1.75252798      -0.83254031 
O       1.45755907       1.29421020       8.04644682       0.14276625       0.07352920      -0.64747142 
O       0.88251230       3.78490883       7.71612624       0.85436800       1.03337795       0.79802510 
O      -1.21346434       1.71857947       9.59933162      -1.51098625       1.02763845       0.61086764 
O       3.68750582       3.47268763       6.02362220       0.66940226      -0.17910820       0.32950955 
O       3.25228634       4.39038646       8.58871373       0.22662763      -0.50561577       1.25558853 
O      -0.93674563       0.97610466       7.07217986      -0.49324349      -1.66701233       0.31939517 
O       1.35531838       3.84545516       5.07214507      -0.10958363       1.56745800       0.35755347 
O       2.77828957       1.17848475       0.02670005       0.73408164       0.75413190       1.07057717 
O       2.36352344       1.32148223       2.70723312       0.08422023       0.17644551       0.55622042 
O       1.78784924       3.89152636       2.51611323       0.34011027      -0.56015979      -0.40013628 
O      -0.30309651       1.74965508       4.45128213      -1.30430110       0.16906470      -0.47660666 
O       4.61092117       3.45115301       0.76529892       0.17341336       0.02240022       0.20086715 
O       4.11223283       4.37461296       3.40064115       0.46865902      -0.30763440       0.27640763 
O       0.14564578       0.81509301       1.73752436      -1.00167622      -0.14245746       0.71848887 
O       0.46616368       3.90882474      10.41608467       0.60340546       0.12572951      -0.42262162 
O       0.07296029       6.08433211       1.74086386       0.19231422      -0.17956142       0.52066590 
O       4.14355077       9.55864561       3.43808813       0.37763804       0.28411986      -0.70712292 
O       4.71525941       8.74337649       0.79854461      -0.68491932       0.01559580      -0.06456691 
O       9.76406481       3.39850840       0.86388607      -0.28661410       0.21797758      -0.34935450 
O       9.20390669       4.48621158       3.49002602       0.48454531      -0.38334100      -0.24982936 
O       5.16640774       0.89584441       1.80314944       0.19353099       0.15254863      -0.20931414 
O       7.07829282       6.48932192       5.27517851       0.25990179      -1.03551836       1.08341521 
O       1.97045463       6.48678960       5.44297870      -0.34523237      -0.21094261      -0.74507131 
O       1.49328324       6.51646875       8.05378001      -0.19647833       0.38117533      -0.08959751 
O       0.95893374       9.09107026       7.78343300       0.41933553      -0.91754778      -0.19622054 
O       6.92943149       3.83527880       2.49081722       0.74099628       0.56745102      -0.28808149 
O      -1.26466266       6.93484064       9.68094028      -0.16988510       0.01611689       0.12603722 
O       3.23698244       9.63325676       8.71079595       0.46804568      -0.30077016      -0.03894135 
O      -0.81785754       6.08446136       7.03299104      -0.86917498      -1.51022749       0.52172066 
O       1.39453677       9.13474681       5.17621406       0.25362388       0.30305650       0.26277037 
O       2.82785116       6.38846208       0.15312730       0.14562315       0.85876986      -0.36056354 
O       2.39681422       6.51105759       2.72474474      -0.14169154       0.33821296       0.23943529 
O       1.76589988       9.00906382       2.59036319       1.08395692       0.27632427      -0.36506170 
O      -0.31733985       6.94674013       4.44572186      -0.16674535       0.14648461       0.17206996 
O       3.83941142       8.83026720       5.88568000       0.10019654      -1.04474257       1.17384474 
O       5.76959416       9.17224413      10.32556322      -1.04032012       0.33542813       0.99096283 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008853547178161395 0.0022229431598007254 0.00010814794558260478 0.0022229431598007254 -0.0044378912147960865 0.00023906546570923477 0.00010814794558260478 0.00023906546570923477 -0.007501039338596247" pbc="T T T" energy=-972.4780632 free_energy=-972.4780632 config_type=crystal 
Hf       0.82519512       0.18612032       3.71547494      -0.37547357       1.26269369       0.37266100 
Hf      -0.15380021       5.52753104       8.82282869       1.38488359      -1.76538066       1.13842365 
Hf       0.37881482       7.59563184       6.23135506      -0.51933985       0.54529792       0.43403064 
Hf       5.94083624       5.49487745       3.75092901      -0.03941338      -1.63350624      -0.17277882 
Hf       8.55649751      10.20060990       1.55917045       0.80360089      -0.11740601      -0.09372381 
Hf       8.14103631       8.03857231       4.14812782       0.83897176      -0.12175575       0.23973044 
Hf       6.39360152       7.57161176       1.06069266      -0.07777722      -0.25892942       1.17165637 
Hf       1.25949810       7.56883776       1.16413382       0.28358081      -1.03552384       0.16464396 
Hf       3.03208642       8.05857903       4.26284346       0.33535696      -1.02888476      -0.22690164 
Hf       3.40398493      10.17038235       1.60704356       0.81575078       0.53875185      -1.69491838 
Hf       0.82638200       5.35806355       3.66617144      -0.42191518       1.16668861      -0.66460086 
Hf       5.52702980       2.34270540       6.37937625      -0.23514289       0.53333710      -0.65933420 
Hf       2.52535799      10.22211625       6.88138034       0.13041446      -0.32273665       0.33593937 
Hf       5.84301258       0.20261928       3.72631407       1.24578020       1.01344308       0.06367553 
Hf       5.04187913       5.43129654       8.93705447       0.24726070      -0.55216787       1.01665319 
Hf       7.67161652      10.21070283       6.78262423       0.61712342       0.04301087       0.05977594 
Hf       7.33530858       2.90875134       9.40486992      -1.46239089      -0.69834898      -1.30736525 
Hf       2.06235242       2.84613256       9.30787717      -0.43578421      -0.66050227       1.66044774 
Hf       3.53948252       4.93109089       1.46070720      -0.67132470       0.81341865       1.42683491 
Hf       3.03097178       2.84705293       4.22112222       0.19555948       0.18850010      -1.21719420 
Hf       1.17123579       2.32991068       1.08373609       0.77940774       0.74133276       0.01900493 
Hf       5.03380667       0.14439134       8.97869391      -0.59812505       0.72163869       0.76487663 
Hf       7.73784071       5.00599536       6.71436990      -0.10564347      -0.91196900      -0.58063046 
Hf       0.32839426       2.38365521       6.26274740      -0.46317452      -0.50738006       0.69086087 
Hf       8.21610114       2.76888383       4.10404699      -1.59647215       0.52247582       0.01199324 
Hf       6.34734551       2.32499701       1.03256317       0.15099696       0.75046479      -0.34269264 
Hf       5.48941358       7.61347956       6.43142786      -0.00791825       0.17950258      -0.25966409 
Hf       7.32650082       7.97260858       9.53587207      -0.78162743       0.66684740      -1.12114459 
Hf      -0.16073831       0.17341850       8.98563438       0.54945689       0.48269078      -0.40570689 
Hf       2.59735627       4.98320965       6.78358598       0.11915844      -0.08769056      -0.57465661 
Hf       8.55135828       4.87316592       1.56468084      -0.49160669       1.57518427      -0.63589735 
Hf       2.09270373       7.91777183       9.43163675       0.25358144       1.32498567       0.25240410 
O       8.92074463       3.43838365       6.03226324      -0.71352780       0.64266361      -0.18205809 
O       3.70373520       1.64508517       9.78739595       0.31759931      -0.04960255      -0.77186766 
O       6.25824200       3.98496524       7.78642840      -1.14959723      -1.23932326      -0.78067212 
O       8.52515886       4.37582010       8.52104933       0.17210771      -0.55059741       1.24314501 
O       4.30266888       0.80891546       7.14922937      -0.29129494       1.04316719      -0.64368898 
O       6.60876747       3.86886024       5.03746059      -0.16667715       0.59858053       0.91672106 
O       6.57161180       1.31355568       7.96873640       0.60970695       1.06538141      -0.39254280 
O       9.45196035       9.47943696       3.47856820      -0.94009766      -0.26112384      -0.84486316 
O       5.60992007       3.90900533      10.32155945       0.24364983      -0.14995392      -0.21888121 
O       6.63883532       6.59697795       8.05902642       0.10565512       0.02290770      -0.36128267 
O       6.02510680       9.10714738       7.87424668       0.97031959      -0.96973545      -0.93448246 
O       3.88412378       6.94070565       9.69527862      -0.37995566      -0.36906154       0.02140969 
O       8.92339369       8.78905524       5.95104499       0.34247692      -0.85063782       0.56929105 
O       8.39745138       9.53857675       8.62364162      -0.16836911      -0.84926209       0.65108200 
O       4.37152248       6.05445834       7.06320910      -0.66129674      -0.16582891       0.20522381 
O       7.00419396       1.30689821       5.28004763       0.35090259      -0.60344174       0.74454273 
O       6.56838676       9.20617998       5.22182283      -0.44504501      -0.89875380      -0.51976382 
O       7.56130047       6.50357387       2.78817825      -0.11706699       0.60913835      -0.03182452 
O       7.07287543       9.06681557       2.54365595      -0.39745753      -0.24147045       0.31501274 
O       4.73167541       6.87595562       4.53196526      -0.68223251       1.72380166       0.40808616 
O       9.90303376       8.69050069       0.81612091      -0.74803129       0.51496844       0.17215990 
O       6.16372841       1.23509243      10.47490306      -0.10503431      -0.26733823       1.33831840 
O       5.23863001       6.13484120       1.92488420      -0.81347039      -0.40733151      -0.99296760 
O       7.95705000       6.36787152       0.17401433       0.20275724       0.69352958      -0.78163522 
O       7.59775828       1.27339563       2.70361074      -0.88099062       0.30455266      -0.13137357 
O       0.52170708       9.12394973      10.36297292       0.28350801      -0.42311415       1.00528981 
O       4.65774977       1.67597687       4.45437465       0.38499469       0.15624442       0.73619081 
O       1.90293482       1.32625720       5.40326905       0.59893151      -0.63756103      -0.14943204 
O       1.44529701       1.26627454       8.08820419       0.16594016       0.27028641      -0.82411797 
O       1.05395514       3.81070918       7.57377748      -0.25781580       0.24590381       0.85179478 
O      -1.35792197       1.72569205       9.63403543       0.27786327      -0.17763162       0.44745139 
O       3.82396164       3.48911209       6.08610341      -0.48591880      -0.04166367       0.07101336 
O       3.19994208       4.34512052       8.71583781       1.55411490       1.08515880      -0.74969942 
O      -0.80291594       0.83837703       7.03688666      -0.50744775       0.08584715      -0.18079648 
O       1.33205249       3.91803158       5.02924441       1.11286424      -0.00460995       0.47630064 
O       2.68496179       1.30374672       0.09716821       0.35800640      -0.72637374       0.66873932 
O       2.39682921       1.33952830       2.70617015      -0.42622641       0.05625049       0.53325014 
O       1.93576233       3.84812952       2.42820265      -0.30510086       0.04643471       0.04174669 
O      -0.37234103       1.79214578       4.34501914       0.78475369      -0.94461498       0.56337131 
O       4.70192528       3.57320532       0.73138381       0.23988145      -0.90157868      -0.05786994 
O       4.18195308       4.40883069       3.50727060      -0.32588522      -0.76703590      -0.44060100 
O      -0.03361552       0.95470595       1.94435207       0.24838231      -0.29306846      -1.22829921 
O       0.50811726       3.99166542      10.28584402       0.14465179      -0.50814297      -0.36829668 
O      -0.00741338       6.05301326       1.80592664       1.04828657       0.32409204      -0.16874894 
O       4.12523309       9.61796204       3.51388145      -0.13495422      -0.89074243       0.13763527 
O       4.66657209       8.64326557       0.96197151      -0.76937481       0.17002416      -0.61247590 
O       9.66746467       3.40508057       0.76824780       1.30665953      -0.00175830       0.36051416 
O       9.28841859       4.30028193       3.37480267       1.22025899       0.16858523       0.61852275 
O       5.14758334       0.91761415       1.86035537      -0.12350763      -0.43363858       0.27569927 
O       7.03922050       6.41905464       5.38234979       0.13178011       1.25475619       0.12489605 
O       1.96517656       6.44452956       5.36147105      -0.22885649       0.27163801      -0.08712137 
O       1.53837080       6.51282238       7.88928005      -0.38262912       0.25675649       0.85203608 
O       1.03270034       9.01452880       7.82553824      -0.57612395      -0.31014901      -0.40509567 
O       6.99140116       3.85745606       2.42249579      -0.29628641      -0.81166931       0.44920027 
O      -1.22013108       6.92723806       9.64695440      -0.83223087       0.87635835       0.64358775 
O       3.31511934       9.41894154       8.81148890      -0.27409919       0.40207726      -0.46980181 
O      -0.84408995       6.16000847       6.97231751      -0.14735779      -0.08466267       0.14897470 
O       1.42409790       9.21417438       5.21803117       0.52315747      -0.68562177      -0.27547052 
O       2.76442404       6.40231224       0.16401494       0.71995897       0.95522476      -0.60360208 
O       2.43524882       6.59367612       2.82168761      -0.90595985      -0.05892292      -0.54298399 
O       1.87307575       9.08517149       2.56561215      -0.08193260      -0.31578788      -0.11891178 
O      -0.38944604       6.88183922       4.39702833       0.06106010       0.25015821       0.27189097 
O       3.77265069       8.75786679       6.16928852       0.06483195      -0.98954134      -0.74960971 
O       5.68003949       9.06477347      10.46266673       0.61698888       0.37027765       0.07446082 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00944396047449802 0.0022523438946438533 -0.004804937776558024 0.0022523438946438533 -0.002570167549907117 -0.0026857902956113344 -0.004804937776558024 -0.0026857902956113344 -0.012324799016315793" pbc="T T T" energy=-973.26829498 free_energy=-973.26829498 config_type=crystal 
Hf       0.78973160       0.28219065       3.77292291       0.23717451      -1.04829817      -0.59782936 
Hf      -0.09305314       5.39578594       9.02787130       0.23643882       0.01854991      -0.47834804 
Hf       0.25541461       7.53660717       6.35617520       1.49931782       0.25051416       0.28546929 
Hf       5.88222014       5.37647495       3.67988814       1.25583496       1.71724989       0.15787811 
Hf       8.57548290      10.26357467       1.51907124       0.03901492      -1.26953642       0.84246895 
Hf       8.15579557       7.98106587       4.12489821      -0.64552476       1.07361895      -0.42911228 
Hf       6.32928312       7.58340589       1.02966312       0.61402878       0.07663661       1.18438715 
Hf       1.20933908       7.58173295       1.11271245       0.64545795       0.71444918       0.62529874 
Hf       2.95026681       7.94354630       4.12747086       1.17830832       0.99279442       0.85553160 
Hf       3.49717273      10.18040213       1.54100832      -0.01299762       0.13355579       0.10189000 
Hf       0.72219966       5.41698920       3.77094848       1.65743893      -0.87897383      -0.21572183 
Hf       5.49223954       2.36728395       6.33405646      -0.40969237      -0.20864878       0.06792758 
Hf       2.51258622      10.07285810       6.74144283       1.38223351       0.91552272      -0.06757377 
Hf       5.89073919       0.22361329       3.70072656       0.47124446       0.42526909      -0.14487440 
Hf       5.05434754       5.43500068       9.00828057      -0.00788217      -1.28413565       0.16855286 
Hf       7.72635639      10.08899631       6.73072803      -0.36443039       1.46620144       0.70517620 
Hf       7.33965858       2.80021597       9.36112228      -0.86042808       0.94631152      -0.67401531 
Hf       2.10369350       2.74450705       9.39389240       0.35865269       1.33034487       0.44549991 
Hf       3.47967069       5.00171601       1.57276587      -0.68598620      -0.97255946      -0.99729690 
Hf       3.00036366       2.81172135       4.18834611       0.09571017       0.38588872      -0.18079051 
Hf       1.19012325       2.39434766       1.11245435       0.64058342       0.70148635      -0.30297681 
Hf       5.05940925       0.26992907       8.93494081      -0.15822459      -0.55798689      -0.61714833 
Hf       7.68918017       5.00026261       6.72969299      -0.37408347       0.10562804       1.07313208 
Hf       0.33178252       2.39762497       6.41984078      -0.63011705      -0.66608764      -0.47345762 
Hf       8.18761955       2.82766744       4.18065307      -0.60075303      -0.65225983      -0.77565308 
Hf       6.46869769       2.44148479       1.01615947      -1.33461714       0.04130300       0.84829289 
Hf       5.42553105       7.55991946       6.39301766       0.96237949       0.21810745      -0.62992212 
Hf       7.27725766       7.97288029       9.44229810      -0.38339475       1.05646955      -0.18286119 
Hf      -0.10518366       0.17845779       8.97342913      -0.41976288       0.22736307       0.20079863 
Hf       2.62489697       4.97284699       6.81636586       0.04893888       0.49995092      -0.00634913 
Hf       8.67146521       5.02764956       1.51948989      -0.85120590      -0.99488507       0.05472821 
Hf       2.16967686       8.02257177       9.37031817      -0.28991985       0.23181696       0.26138061 
O       8.80825084       3.45970859       6.00881217       1.60701540       0.03256948       0.80262773 
O       3.83704226       1.68145796       9.72606329      -0.31026695       0.27693807      -0.36355098 
O       6.08968531       3.88575049       7.75253135       0.53233052       0.29676067      -0.56447559 
O       8.53969472       4.20032167       8.53658610       0.38913961       0.78208054       0.48586551 
O       4.27951914       0.84235911       7.05450695       0.12794936       0.54825424      -0.45924595 
O       6.68934797       4.11762542       5.08106312      -0.75142200      -1.58610771      -0.06114735 
O       6.54910201       1.45054279       7.94013501       0.39599043      -1.24014855       0.22591233 
O       9.39196716       9.60820991       3.41849687      -1.08762005      -1.31205262       0.37012461 
O       5.77277398       3.93441147      10.36329172      -0.51663259      -0.11969981      -0.11500486 
O       6.64680703       6.52553594       8.06996057       0.24332406       0.07415448      -0.15382192 
O       6.15141900       9.06589188       7.70503038       0.11172097       0.01822362       0.18598527 
O       3.77054399       6.84820927       9.75449614       0.45683899       0.36173268      -0.29110492 
O       8.89123278       8.66557967       6.01237744       0.58334486      -0.09340882       0.14952996 
O       8.45686851       9.42950733       8.69834709       0.22409229       0.35117507      -0.45093834 
O       4.38936265       6.05867576       7.19049604      -1.06696059       0.07100628      -1.10897463 
O       7.07488942       1.33346255       5.30115989      -0.31980790      -0.52991300       0.70551207 
O       6.64007151       9.19223143       5.11242028      -0.30820234      -0.29376737      -0.43093884 
O       7.50549923       6.52912423       2.75702238      -0.01579729      -0.27619734      -0.30133960 
O       7.01314374       9.01572088       2.43438886       0.48656026       0.68002185       0.49258477 
O       4.77545659       6.87992595       4.51028365      -0.87937631       0.02539317      -0.53981733 
O       9.76937378       8.71044715       0.85909329       0.31612100      -0.20970793      -0.18790797 
O       7.99167530       1.31205065       0.08343376       0.14735509      -0.11440926       0.03875160 
O       5.07592012       6.15737173       1.80481925       1.00663224       0.17739634       0.79982864 
O       7.91924111       6.42011621       0.12887001       0.34528372       0.74296298       0.09048351 
O       7.44466275       1.34505334       2.71956029       0.60816266       0.28319638      -0.31192430 
O       0.62283539       9.10337539      10.36035596      -0.44763060      -0.11558590       0.14536498 
O       4.71175767       1.73916213       4.40066080       0.30661171      -0.20370862       0.73312629 
O       1.90480915       1.26212673       5.43161916       0.15514232      -0.09595791      -0.45185911 
O       1.42695746       1.27423787       7.94928974       0.39317257       0.76008406       0.72280959 
O       1.05463052       3.89081919       7.73653938      -0.59821027      -0.36931827       0.32287967 
O      -1.28499857       1.74448736       9.66766366       0.50371487      -0.93224848       0.94588494 
O       3.78660156       3.49580115       6.08498489       0.12076714      -0.17552204      -0.20653246 
O       3.28217701       4.39808307       8.70919860      -0.05994066      -1.08535202       0.06078649 
O      -0.93542449       0.92625046       7.23127254      -0.04087630       0.24664255      -1.35448868 
O       1.46770162       3.92797271       5.12232128      -0.48618871       0.03772228       0.67180324 
O       2.78009588       1.23871844       0.11145079       0.09962141       0.14404958       0.09709063 
O       2.39253975       1.43947640       2.73564540      -0.54259800      -0.49112199       0.04964608 
O       1.83352259       4.02057549       2.52343424       0.53982456      -1.22210316      -0.23793753 
O      -0.40548563       1.64052560       4.57621998      -0.67222023       0.92229606       0.19724414 
O       4.66504914       3.56839087       0.68432869       0.55540844      -0.51697888       0.77621059 
O       4.31268465       4.21918525       3.46584054      -1.13575982       0.04116224      -0.85884337 
O      -0.04322124       1.02368244       1.95315513       0.29288296       0.22819382      -0.74896412 
O       0.50622369       3.89402875      10.39085260       0.17195986       0.06193599      -0.35729838 
O       0.01589210       6.12585640       1.93597691       0.07948873       0.53444109      -0.61557908 
O       4.20879381       9.51159679       3.46547953      -0.55118126      -0.40738724      -0.27811068 
O       4.72203295       8.76458329       0.76096638      -0.20761970      -0.14068623      -0.13789866 
O       9.85840279       3.57651733       0.65634338       0.31900610       0.23530446       1.08081522 
O       9.44419286       4.17861177       3.40150755       0.08196322       0.67811013      -0.35817662 
O       5.18079318       0.91679374       1.81233210      -0.09425279       0.14104149      -0.24115724 
O       7.06556506       6.53801355       5.40049532       0.35165608       0.26720656       0.07096545 
O       1.93062126       6.49015553       5.40243415      -0.30729968      -0.66147815      -0.10876210 
O       1.56782140       6.55721460       7.99545483      -1.21136630      -0.02396679       0.09538228 
O       0.95699782       9.13328146       7.66618189      -0.48856396      -1.14570294       0.81220025 
O       7.11691639       3.92112540       2.42106194      -0.51119937      -0.37849512       0.41578089 
O      -1.23931412       6.98343605       9.78146364      -0.18684842      -1.27730390      -0.65034191 
O       3.38114953       9.48726075       8.61503366      -0.69761452      -0.47240076       0.24457317 
O      -0.89998496       6.12089628       7.17823965       0.35942574       0.01423783      -0.23547026 
O       1.43871724       9.03740636       5.11786662      -0.33869920       0.98968951      -0.27727177 
O       2.87362045       6.42163382       0.14914569      -0.73282813       0.21842783      -0.15928580 
O       2.34152770       6.57429126       2.76459393      -0.08072754      -0.53061057      -0.25831069 
O       1.86052246       9.08198592       2.51251090       0.31405003       0.21245027      -0.30994631 
O      -0.43344976       6.85667767       4.49974443      -0.72422331       0.51497258       0.19003324 
O       3.71789475       8.56888831       6.09072209      -0.16141789       0.39287158      -0.23407001 
O       5.70833990       9.18659261      10.30794460      -0.00771855      -0.49172830       0.33953110 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008251563359724191 -0.00291376620367172 -0.0018304712488786804 -0.00291376620367172 -0.006789950913506677 0.0022326623941209866 -0.0018304712488786804 0.0022326623941209866 -0.003037628215776796" pbc="T T T" energy=-972.97860385 free_energy=-972.97860385 config_type=crystal 
Hf       0.77997393       0.18833699       3.69769325      -1.07779158       0.50223159       0.01494351 
Hf      -0.13091067       5.42258614       8.92895086       1.47997137       0.34012490       0.35410392 
Hf       0.34982943       7.54729296       6.30730328      -0.04666042       0.47526477       0.36915318 
Hf       5.89363264       5.41412979       3.75184172       1.41995495       0.77151430       0.50100068 
Hf       8.65145668      10.18670789       1.41210640      -0.15121192      -0.96360277       2.24844976 
Hf       8.19274694       8.01350655       4.17392104       0.05765112       0.00525499      -0.42359504 
Hf       6.29886138       7.55992902       1.05538734       2.05087677       0.59182827       1.44666944 
Hf       1.23375533       7.57512160       1.09752882      -0.52061800       0.16642002      -0.02276854 
Hf       3.02109137       8.12879862       4.24267152      -0.54635096      -1.37433645      -1.17539301 
Hf       3.44249384      10.18403665       1.51167630      -0.27142628       0.17409902       0.60219891 
Hf       0.84851489       5.43591876       3.66105471      -0.86363022       0.30211738       0.49059677 
Hf       5.47474936       2.31963063       6.32361541       1.08430940       0.15779800       0.83016489 
Hf       2.55537710      10.20277856       6.84263759      -1.18855159      -0.40738919      -0.91232560 
Hf       5.98342581       0.21313301       3.67846678       0.74273834      -0.55806914       0.64494143 
Hf       5.01592979       5.45292103       8.95667030       0.36892390      -1.07712157      -0.57667161 
Hf       7.77212754      10.18424103       6.78677259      -0.96663435       0.57201375       0.05758471 
Hf       7.16638638       2.76028264       9.50251738       1.28183213       0.03252869      -0.83963585 
Hf       2.16621542       2.82950237       9.40120091      -0.39604118       0.73400286       0.62313263 
Hf       3.44661267       5.03357255       1.59960453       1.48111797      -0.36794370      -1.57118754 
Hf       3.03126340       2.78491076       4.19361793       0.17859611      -0.12417552      -1.14562158 
Hf       1.26739635       2.36850263       1.07527661      -0.42247153       0.65757254       0.20476061 
Hf       4.93958766       0.15139388       8.98892873       1.66826216       0.88060951      -0.75508615 
Hf       7.72063920       4.90495503       6.86256308      -0.23362884       0.42396452      -1.27892498 
Hf       0.31689679       2.36095803       6.28273905      -0.42315136       0.50597393       0.37119810 
Hf       8.14514117       2.88752937       4.10205724       0.21128400      -0.83651190       1.78268716 
Hf       6.38451553       2.33241786       1.12923869      -0.72914382       0.84730820      -0.15296727 
Hf       5.50919469       7.56572254       6.30553529       0.14604800      -0.22849596      -0.13601487 
Hf       7.26538076       8.04579471       9.36799859       0.18093332       0.07713118       0.15880536 
Hf      -0.08377291       0.23522496       8.94966378      -0.50981673       0.37282090       0.49910390 
Hf       2.57208357       4.93741151       6.74736347      -0.18060985       0.62159754      -0.11767738 
Hf       8.55763607       4.98775145       1.57069421       0.71421561       0.43909988       0.19032678 
Hf       2.08310423       7.96173867       9.46935948      -0.31557675       0.33832121      -1.18393076 
O       8.86332966       3.38365630       6.12798468      -0.10270921       0.61516960      -0.34183213 
O       3.91445485       1.74030122       9.71790486      -0.74199549       0.02342527      -0.17617052 
O       6.10302304       3.82452526       7.75758035       0.15450109       0.14690288       0.87402612 
O       8.54287690       4.36633989       8.72709800      -1.97096550      -1.39385524       0.25560437 
O       4.23169636       0.84546135       7.08038113       0.85187483       0.64553446      -0.02701104 
O       6.59255876       4.03356803       5.21595815      -0.16289313      -0.94681964      -0.48970157 
O       6.60068648       1.31746669       8.08953020      -0.58199948      -0.10614825      -0.90371291 
O       9.33860164       9.55974584       3.51129968      -0.05392880       0.07579823      -0.65797151 
O       5.64948526       3.88131322      10.41378819      -0.22037778       0.69361647      -0.06042679 
O       6.59312461       6.54112835       7.96016593      -0.12981537      -0.18240813       0.59043184 
O       6.14981556       9.02774443       7.69282135      -0.21141824       0.13050357       0.56861296 
O       3.87259672       6.92079940       9.70069881      -0.62727042       0.22208314      -0.38264160 
O       8.92268474       8.68837930       6.15219010       0.46644670      -0.83334514      -0.50929615 
O       8.40448927       9.67058078       8.72850435      -0.09610544      -1.15677955       0.44965962 
O       4.28616705       6.02176507       6.93551800       0.65752691       0.27765842       1.22924595 
O       7.11199072       1.30013205       5.40640883      -0.38474270       0.11957917      -0.26598327 
O       6.66645721       9.21466875       5.16497623      -0.76496515      -0.74279964      -0.73033367 
O       7.66604778       6.51239638       2.77922345      -1.27364395      -0.35159867      -0.15933093 
O       7.10214230       8.99050384       2.48380598      -0.61793592       0.49600711      -0.19997009 
O       4.71086646       6.92163967       4.41679064      -0.06362035       0.61857838       0.41796083 
O       9.75026345       8.62315474       0.82207800       0.31343244      -0.12745243      -0.38018109 
O       7.93222209       1.14331901       0.07633474      -0.08751749       1.52523881       0.33901530 
O       5.15360949       6.20377000       1.93842082      -0.00258955      -0.82124345      -0.40989855 
O       7.97129019       6.46718519       0.14597105      -0.26729530      -0.37943531      -0.72861014 
O       7.57530628       1.34467358       2.72133551      -0.47804637       0.03336331      -0.23248425 
O       0.61813679       9.12897739      10.41783060      -0.81924137       0.52024704      -0.34033622 
O       4.83497736       1.68152810       4.43340225      -1.09966209       0.52371841       0.18625488 
O       1.88155552       1.26356049       5.35070375       0.62657495      -0.17632871      -0.07391038 
O       1.42221301       1.43362022       8.01031830       0.49335152      -0.96371140      -0.25235194 
O       1.03220207       3.86686115       7.71160910      -0.58466587       0.10963238      -0.20053783 
O      -1.33513878       1.68704514       9.82519385       0.09768886       0.24326510      -1.20728557 
O       3.74435062       3.40520391       6.06068979      -0.22990530       0.00386760      -0.08361038 
O       3.24750344       4.38823505       8.68394816       1.07899792       0.21434958       0.02477144 
O      -0.86502714       0.92756567       7.10621383       0.52020302      -0.03923616       0.04213111 
O       1.42351894       3.89590597       4.96742085       0.38054830       0.12857562       1.26060608 
O       2.83651265       1.31057221       0.15068172       0.26241946      -0.63987971      -0.70254802 
O       2.28943370       1.31967422       2.67101902       0.86630956       0.73873398       0.94832333 
O       2.04469276       3.95744655       2.46518939      -1.74464033      -1.43984638       0.89179962 
O      -0.46703582       1.72734920       4.42139704       0.66302971      -0.17290935      -0.20751896 
O       4.59134879       3.42321569       0.81867801       1.50375278       0.09114181       0.77924072 
O       4.30953485       4.24370801       3.48288730      -0.76452682       0.02711770      -0.20613517 
O       0.06283217       0.83863378       1.72081541      -0.08868320      -0.09892014       0.67120026 
O       0.68244054       3.99681953      10.42233976      -1.46108529       0.16135209      -1.02076580 
O       0.02295394       6.07085381       1.85039294      -0.00507057      -0.13119993      -0.97114102 
O       4.16065741       9.56063493       3.42233924       0.44487024       0.15696205       0.12657527 
O       4.62752042       8.65848331       0.84535769       0.37576799       0.18522756      -0.29456716 
O       9.75959563       3.44292826       0.86221312       0.00145177       0.25488675       0.16606593 
O       9.35909237       4.35853522       3.50850568       0.05402019       0.06203451      -0.56549964 
O       5.21190030       0.85914235       1.87303283      -0.34545049      -0.04260341      -0.88907326 
O       7.09984727       6.48442393       5.36572033      -0.46276679       0.24104442       0.23999353 
O       2.01772101       6.49283841       5.38106998      -0.67288065      -0.63357920      -0.30991949 
O       1.46357531       6.54670690       7.97601121      -0.00011083       0.31297464      -0.14127365 
O       0.94088637       9.13917079       7.74613209       0.05738723      -0.73415204       0.44735734 
O       6.99067777       3.85445742       2.56212722      -0.01251400       0.08824403      -0.56521922 
O      -1.23203597       7.04096067       9.66220745       0.07518534      -0.64151989      -0.40652552 
O       3.25607301       9.51773756       8.69275017      -0.31665043      -0.48848772       0.37253752 
O      -0.87259904       6.03135947       6.97602275       0.66151916       0.27664509       0.50912548 
O       1.36760641       9.16413233       5.16621110       0.60527248      -0.08989505      -0.12715593 
O       2.90917984       6.49697032       0.11059941      -0.74281110      -0.22177345       0.32110708 
O       2.28152565       6.58697688       2.66836626       1.28140205       0.17295101       0.64744943 
O       1.79507512       9.08645136       2.48462513       0.67656006       0.02602230       0.19313007 
O      -0.29911153       6.99709648       4.37370202      -0.05944617      -0.10446703       0.65467271 
O       3.70283544       8.68031758       6.05112890       0.74079361       0.27215418       0.65001377 
O       5.66401279       9.13756819      10.31794179       0.04123779      -0.78276281       0.18371014 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0036630779676896904 0.001311444663916544 -0.0004633510128423415 0.001311444663916544 -0.006459592891096069 -0.0005907097992276484 -0.0004633510128423415 -0.0005907097992276484 -0.006935452943041722" pbc="T T T" energy=-972.34651558 free_energy=-972.34651558 config_type=crystal 
Hf       0.83756153       0.20936040       3.74954609       0.96403445       0.82484104      -0.49551113 
Hf      -0.14833614       5.50593418       8.99386610       0.23543285      -0.82288020      -1.10067169 
Hf       0.46640309       7.52737269       6.26559380      -1.01541166      -0.36613727       1.37948569 
Hf       5.89055885       5.40560227       3.69427647      -0.08132680      -0.20172278      -0.44154886 
Hf       8.65368719      10.26609027       1.64650067       0.03891891      -0.90971748      -0.74506514 
Hf       8.20589482       7.97749909       4.27483407      -0.69169140       0.65559754      -1.81623067 
Hf       6.38502143       7.61843261       1.08472188      -0.22934960      -0.27209297       0.66706815 
Hf       1.18663775       7.60807474       1.12633203      -0.10955007       0.19756012      -0.35327337 
Hf       2.98061449       7.96841049       4.14288992       1.75359135       0.17901462      -0.63207920 
Hf       3.42648902      10.21681409       1.45317870       1.74521715      -0.74094017       2.23870031 
Hf       0.74735882       5.39495232       3.67148243      -0.04868596      -0.76001113       0.15429704 
Hf       5.33984456       2.31777555       6.29607384       0.66089630       0.36167579      -0.33485512 
Hf       2.53511836      10.13598486       6.82630687      -0.55587012      -0.40083098      -1.34090100 
Hf       5.98512301       0.17583632       3.73592945      -1.67386368      -0.32852740      -0.02896041 
Hf       5.05993220       5.45240806       8.91720060      -0.93001475      -1.12766410       0.31560017 
Hf       7.81815494      10.20566114       6.76494471      -0.59469379      -0.18722822       1.25340686 
Hf       7.21103291       2.83935975       9.45954626       0.69713139      -0.71904087      -1.11565728 
Hf       2.15963893       2.81636686       9.42228399       0.57260213       0.13620327      -0.53504581 
Hf       3.44187671       4.99056068       1.46557496       0.62401452       0.15554660       0.62637492 
Hf       2.96755781       2.87737836       4.09909660       0.76383832      -0.80373219       0.56199316 
Hf       1.22015344       2.41166890       1.07474885       0.86171779      -0.37333506       0.41698268 
Hf       5.06695271       0.15751979       8.89817091      -0.07759244       1.13868388       0.93177386 
Hf       7.67775324       4.94797584       6.76297217       0.02602749      -1.08504384       0.25707206 
Hf       0.37542446       2.37536625       6.33467179      -0.38636432      -0.07489275      -0.09871143 
Hf       8.11693840       2.78658307       4.15492075       0.16224833       0.88853298       0.34727167 
Hf       6.34265488       2.27405048       1.07880606       0.23495109       1.28314449       0.31783289 
Hf       5.51317613       7.60857056       6.33289667      -1.44941381      -1.03342619      -0.19737037 
Hf       7.20734394       8.05628433       9.47129578       1.05674479       0.52878003      -0.31104389 
Hf      -0.04130950       0.20611956       9.04214947      -1.11641400       0.63005689      -0.73521903 
Hf       2.57548697       4.94608564       6.83736115      -0.56338868      -0.71923278      -0.20947040 
Hf       8.58137611       4.98424036       1.51026492      -0.85787227      -0.44492516       0.69511966 
Hf       2.13652377       8.04856372       9.41931169       0.64928722      -0.83062155      -0.19354393 
O       8.81334233       3.41597314       6.07011207       0.85097057      -0.18939391      -0.05665085 
O       3.85819977       1.63247198       9.72455173      -0.07533357       0.18509563      -0.28276492 
O       6.05271316       3.78673680       7.62262000       0.83579808       1.22398715       1.16706990 
O       8.43812354       4.29116984       8.64554941      -0.20969778       0.42021698       0.70073471 
O       4.18159350       0.78937547       6.98547873       1.52590708       0.66090213       0.46006139 
O       6.52079895       3.91810068       5.09332349       0.30178634      -0.29123649      -0.19126013 
O       6.54247163       1.36071110       7.95433275       0.13414698      -0.38613005       0.67997869 
O       9.42345310       9.58734620       3.48194897      -0.66556627      -1.11870427       0.43392701 
O       5.72251279       3.97159034      10.36181943       0.26434471      -0.02389447      -0.05150479 
O       6.53038495       6.60086205       8.01051036       0.62405627      -0.20365475      -0.48075212 
O       6.16691503       9.07567715       7.72592014       0.04045406       0.20156858       0.96000555 
O       3.82211674       6.85173927       9.69695294      -0.31766043       0.87914643       0.16773907 
O       8.95690996       8.69168913       6.03971256       0.47520321      -0.14485776       0.26122006 
O       8.57736949       9.53672021       8.74370793      -2.07667106      -0.82675892      -0.33729683 
O       4.19586125       6.00311065       7.10212091       1.62452389       1.25920496      -0.36966448 
O       6.97614406       1.20323953       5.39683682       0.82173030      -0.17157987      -0.30835652 
O       6.57875599       9.02978165       5.19724988       0.13683095       0.40164671      -0.29407581 
O       7.43828520       6.59912292       2.71089909       0.18908357      -0.83275756       0.38256195 
O       7.13764929       9.09980403       2.61474786      -0.40255979      -0.38940676      -0.23780724 
O       4.64432199       6.79941488       4.43927943       0.38380472       0.41065452       0.62179520 
O       9.75030481       8.70311149       0.79800057       0.60714681       0.04201461       0.72287647 
O       7.99131400       1.26728863       0.18984942       0.29393591       0.56786330      -0.57914579 
O       5.07334821       6.17876566       1.80292389       0.40069907      -0.00546788       0.23717175 
O       7.89697189       6.47686998       0.06975234       0.78563073       0.24548139       0.43215542 
O       7.52899368       1.32028849       2.80472749       0.20730152      -0.17590973      -0.33264461 
O       0.64061779       9.15085343      10.37435860      -0.56624971      -0.58736343       0.59718139 
O       4.72242823       1.67640516       4.35663479      -0.00736783       0.53103557       0.58262349 
O       2.02927103       1.12753397       5.28852601      -0.96334204       0.59460667       1.24075426 
O       1.46535729       1.27816166       8.04102989       0.52746011       0.22786734      -0.61387836 
O       0.96640532       3.78983622       7.77070660       0.35928489       0.44827278      -0.16430085 
O      -1.25307182       1.77129173       9.73505578      -0.29757832      -0.19643466      -0.41530852 
O       3.64041292       3.42158192       6.05332856       0.57757412      -0.39147621      -0.33510518 
O       3.45802420       4.14293420       8.63735192      -0.88688382       0.19728857       0.11078305 
O      -0.81915747       0.86144162       7.14966536       0.26720439       0.59716096      -0.89246914 
O       1.37534067       3.82857530       5.07853541      -0.42857404       0.53619047       0.23732439 
O       2.84847087       1.21154002       0.14554010      -0.18895113       1.41336302      -0.50038047 
O       2.40281426       1.45073792       2.78603193      -0.17628933      -0.80436497      -1.40719540 
O       1.77766876       3.95283897       2.47640118       0.73745071      -0.07566868      -0.47982193 
O      -0.30976755       1.74059454       4.43838447      -1.09160278       0.17967277       0.10377444 
O       4.74484224       3.59735725       0.84150313      -0.28285415      -1.15911932      -1.09398867 
O       4.21990454       4.26326660       3.38621356      -0.43675728       0.51046879      -0.36196078 
O       0.17804139       0.86695388       1.80635002      -0.75670636      -0.27615823       0.20128949 
O       0.66321583       3.96872490      10.28753052      -0.92350600      -0.08374118       0.98647154 
O      -0.11205086       6.17063016       1.88000186       0.47215763       0.13641836      -0.51458063 
O       4.25859929       9.42794795       3.50678222      -0.10268423       0.11359381      -0.48672114 
O       4.77790625       8.80033099       0.74876270      -0.77761322      -0.14052683      -0.18634745 
O       9.84298967       3.45900299       0.87487179      -1.24325548       1.00855728      -0.51720662 
O       9.28409605       4.32056939       3.42685765      -0.23498175      -0.03415387      -0.00623457 
O       5.20154776       0.85766558       1.80027669      -0.23196119      -0.44812028       0.65322314 
O       6.99369261       6.36603857       5.39439186       0.48203029       1.03192505      -0.48232167 
O       1.92894920       6.29073148       5.25643412      -0.25284764       0.77847175       0.70066330 
O       1.58634209       6.47945353       8.03850261      -0.97272739      -0.14133305      -0.65159626 
O       0.88855552       8.90374082       7.81116462       0.99334770       0.89367522      -0.33314664 
O       6.95578965       3.75662157       2.47996539       0.81803365       0.95078607       0.09140782 
O      -1.29407731       6.99608447       9.75873870      -0.54138219      -0.49059155      -0.37696085 
O       3.28771631       9.62835919       8.65886310      -0.42912728      -1.69178100       0.79007672 
O      -0.89518209       6.13060144       7.10152553       0.63444351       0.10705711      -0.06738988 
O       1.48630067       9.05184804       5.08070988      -0.97155882      -0.20534955       0.67263418 
O       2.80477249       6.44394760       0.07091413      -0.30382449       0.87611785       0.33465132 
O       2.23280499       6.57091255       2.64194374       0.54332707       0.14609985       0.69502375 
O       1.94547072       9.15604608       2.44934799      -0.63208058      -0.77338270       0.23395257 
O      -0.40106366       6.89250351       4.47715252      -0.11507099      -0.02824305      -0.07260085 
O       3.66867156       8.50795078       6.11813072       0.19074006       0.38045664       0.22135485 
O       7.49303991       9.22630578       0.02470672      -0.30968555      -0.57678873      -1.63070196 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0046734881240878485 0.0012784622328200186 -0.0007273809734023552 0.0012784622328200186 -0.0013523076743674825 0.0003482281683285439 -0.0007273809734023552 0.0003482281683285439 -0.005446356179909125" pbc="T T T" energy=-973.18621144 free_energy=-973.18621144 config_type=crystal 
Hf       0.80271880       0.16568032       3.67525035      -0.14529378       0.58505467       0.53070122 
Hf      -0.14324743       5.44730590       8.96621386      -0.51577404      -0.77020227      -0.15009688 
Hf       0.32154243       7.57936271       6.36233443      -0.39660005      -0.08789987       0.26303493 
Hf       5.92790852       5.43035944       3.66588267       0.09619083      -0.71908528       0.04149851 
Hf       8.59689499      10.14608735       1.53290051       0.38143473       0.20893545       0.14256287 
Hf       8.14585177       7.98189107       4.17048167      -0.25933124      -0.01222153      -0.44601903 
Hf       6.32822467       7.53899517       1.02161799       0.70916666      -0.22688609       0.44277394 
Hf       1.21893764       7.56925379       1.09392838      -0.47838374       0.32125826       0.05055792 
Hf       3.04802486       8.01095012       4.25604905       0.26811760      -0.24826172      -1.43800750 
Hf       3.52883611      10.17917638       1.56072170      -0.63131484      -0.36032463      -0.20149623 
Hf       0.78574990       5.47046878       3.74942596       0.36177110      -0.50130917      -1.46953959 
Hf       5.52763657       2.35137672       6.38900549      -0.65877810       1.03218976      -1.63529489 
Hf       2.54694571      10.18129008       6.83183533       0.15170115       0.75679690       0.04328780 
Hf       5.99241461       0.18286941       3.72313669      -0.72347191       0.88583373       0.29846996 
Hf       5.06679674       5.41313918       8.92040915      -0.48224590      -0.34196705       0.97236151 
Hf       7.76547616      10.23037706       6.82344662      -0.28842180      -0.58358464      -0.64729093 
Hf       7.26764673       2.81734510       9.35851331       0.57272623       1.05398354       1.31622971 
Hf       2.08102168       2.84505633       9.47283212       0.27943866       1.12662490      -0.42197382 
Hf       3.42616939       4.98936049       1.55008398       0.52841668      -0.11466986       0.26005224 
Hf       3.00377746       2.78458897       4.16935076       0.90193974       1.13501657       0.12424709 
Hf       1.20926461       2.36030251       1.11623635      -0.44802448       1.00522797       0.47032816 
Hf       5.01120068       0.23182100       8.95439241       0.08167059       0.02887696       0.20154733 
Hf       7.68119347       4.94905415       6.68089740       0.70497624       1.07433176       0.63412239 
Hf       0.35427123       2.40769981       6.25683757       0.47407207       0.28784676       0.89740823 
Hf       8.21957462       2.81334266       4.14860276      -0.63860705       0.00345755      -1.04811347 
Hf       6.39070962       2.35126451       1.01545047      -0.23902130       0.92404637       1.45289940 
Hf       5.41635572       7.58749520       6.41455268       0.90186853      -0.44997031      -0.84163597 
Hf       7.19758221       8.04943193       9.41121385       0.47603860      -0.34098770      -0.01790373 
Hf      -0.07268053       0.23980750       9.00479858      -0.23934610      -0.41562543       0.14181491 
Hf       2.54329477       4.94968058       6.76648021       0.12481063      -0.31134071       1.27550225 
Hf       8.58221426       4.92277990       1.53922438       0.46401218       0.70950337      -0.31058595 
Hf       2.09406215       7.95326695       9.38914204       0.46808595       1.00654022       0.84390225 
O       8.94961688       3.57553794       5.97295383       0.30447725      -0.74934569      -0.20799663 
O       3.78493739       1.76405717       9.70505739       1.00995546      -0.98219834      -0.05733107 
O       6.17424102       3.93383252       7.73656920      -0.79190894      -0.63903145      -0.25810708 
O       8.42645672       4.28701321       8.61236252       0.67530082       0.39243324      -0.30904913 
O       4.38017189       0.88919098       7.05332826      -1.53753567      -1.02243283       0.42366264 
O       6.62344291       3.97589244       5.05834058      -0.06175802      -0.59950044       0.84931787 
O       6.62840363       1.37856194       7.97689735       0.44552701      -0.10719537      -0.18241424 
O       9.42330020       9.41852447       3.42205888      -0.73429713       0.04298305      -0.27352470 
O       5.66670339       3.99745407      10.45439752       0.29598478      -1.05043646      -0.95680534 
O       6.56285011       6.64900850       7.97437049      -0.07384772      -0.75646450      -0.61658168 
O       6.09552498       9.13777838       7.67065125       0.11808911       0.18939570       1.01064451 
O       3.83313073       6.80913916       9.69515534      -1.03435578       1.30046523       0.29986198 
O       8.89719661       8.72617462       6.14487592       0.55578566      -0.86493234      -1.07531593 
O       8.47351103       9.46163485       8.69669093       0.32114691       1.32312026      -0.46313431 
O       4.15252458       6.13015372       7.18826708       0.99224399       0.50713989      -1.18071419 
O       7.06512613       1.26685027       5.30731817       0.63850738       0.03415871       1.11092618 
O       6.61037375       9.14132428       5.12416781      -0.02846830      -0.24047060       0.11763653 
O       7.56301718       6.44705835       2.69312317      -0.40337938       0.95017535       0.43476734 
O       7.05780144       9.01120713       2.45261819      -0.09194278       0.05254056       0.79116136 
O       4.81416080       6.89970295       4.47294095      -1.27831483       1.40063655       0.66997234 
O       9.81573705       8.70397524       0.76532979      -0.27392602       0.37097187       0.07320335 
O       8.02703801       1.29557008       0.03818569      -0.73163933      -0.48158857       0.63023199 
O       5.17312706       6.06740018       1.76774263       0.16532461       0.57892070       0.33273484 
O       7.95121508       6.45688581       0.04780727       0.14280542       0.31706438       0.30078277 
O       7.49599949       1.29215604       2.76663535       0.58456180       0.04356441      -0.72927227 
O       0.62103955       9.18192945      10.41692251      -0.43817572      -0.46601311      -0.73372533 
O       4.77673966       1.74879591       4.54188422      -0.50104938      -0.38103083      -1.08500535 
O       1.88517175       1.29742392       5.31856619       0.83411238      -0.12208924       1.12719513 
O       1.56051951       1.29927256       8.05900489      -0.44533032       0.19334587      -0.14289829 
O       0.98552263       3.87429467       7.85420736      -0.16982255      -0.56276160      -1.13786061 
O      -1.32667881       1.69761165       9.74526728       0.28316438      -0.41510719      -0.72160617 
O       3.73627079       3.45774805       6.07765443       0.09650231       0.05038865       0.18789802 
O       3.29958291       4.31547503       8.69583104       0.16837959      -0.40115253      -0.07090857 
O      -0.73305161       0.89224500       6.99275375      -0.82861333      -0.31691194       1.04639310 
O       1.40555545       4.05020684       5.13331634       0.26490086      -1.37594040       0.32525644 
O       2.75750412       1.25687475       0.20228653       0.43276318       0.53574485      -0.45569045 
O       2.22526836       1.37838687       2.80797385       1.47376546      -0.12462870      -0.69016688 
O       1.94486499       3.88249386       2.51012633      -0.55250272      -0.54450134       0.00443363 
O      -0.33515654       1.71526829       4.43940901      -0.98302514       0.14775121       0.07305291 
O       4.77288949       3.58166873       0.85744019      -0.93758812      -0.67037027      -0.46324896 
O       4.12533506       4.49040791       3.51004790       0.13661490      -1.31982604       0.06234847 
O      -0.03070213       0.96549596       1.91418179      -0.56510264      -0.44558728      -0.82418103 
O       0.56452559       4.01381566      10.41787859      -0.03219289      -0.85807135      -0.02368780 
O      -0.02106228       6.21157790       1.91492471       0.42426970      -0.36422311      -0.53192684 
O       4.22116589       9.52100219       3.45169930      -0.17122296      -0.40264465       0.43307557 
O       4.72503979       8.78851837       0.75177206       0.14498685      -1.00637294       0.04393101 
O       9.90330194       3.59951355       0.69232531      -0.39132611      -0.28960152      -0.10852685 
O       9.48865622       4.14372386       3.24252722      -0.15029673       0.38485869       0.98777221 
O       5.15117126       0.92978649       1.90311291       0.45299269       0.45346576      -0.45324881 
O       7.06948240       6.43410353       5.31880781       0.16905470       0.56134048       0.53948492 
O       1.86979505       6.47346976       5.41927310       0.28451360       0.62260929      -0.22656978 
O       1.46732121       6.52172707       8.05835480      -0.35813413      -0.00536616      -0.67761758 
O       0.98544608       9.03395523       7.82609719       0.20874082       0.02644583      -0.67750992 
O       7.00776565       3.83911958       2.53686712       0.53728965      -0.45154728      -0.40060662 
O      -1.37680126       6.92484902       9.60032529       0.29871300       0.05742261       0.78952086 
O       3.32861927       9.52446621       8.74587494      -0.29931082      -0.23210335      -0.82641191 
O      -0.82512423       6.05710309       7.01208690      -0.11645299       0.13897138       0.06081519 
O       1.51530682       9.21395639       5.15929888      -0.50294286      -0.78592494       0.17549646 
O       2.69076331       6.44665625       0.12021301       0.76170419       0.69055518       0.05352702 
O       2.45908024       6.52314701       2.80897529      -0.95891366       0.53973799      -0.05662146 
O       1.92200292       9.07695474       2.43313037      -0.32619145      -0.28964072       0.90420275 
O      -0.42463279       6.90509696       4.39301595      -0.14518756       0.51215013       1.35299225 
O       3.68378146       8.61674767       6.14729788       0.49929110       0.15820784       0.09566894 
O       5.62033997       9.15847751      10.39220644       0.47262626       0.14182218      -0.43804301 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007431986427348073 -0.0041500294934274954 -0.0023794167637376127 -0.0041500294934274954 0.00031396575350651877 0.00048124868381552166 -0.0023794167637376127 0.00048124868381552166 -0.014773790987026742" pbc="T T T" energy=-972.60532759 free_energy=-972.60532759 config_type=crystal 
Hf       0.80176349       0.18007473       3.75186566      -0.98565870      -0.55343585       0.81709637 
Hf      -0.15425540       5.48817156       9.01310769       1.04881106       0.30698671      -0.25159810 
Hf       0.32257304       7.59378600       6.38525531       0.65992377       0.23521214      -0.31802160 
Hf       5.88647714       5.41745209       3.72062243      -0.11953930       0.13604630      -0.43868945 
Hf       8.56032703      10.18111126       1.52556270       0.53806195       0.24577274       0.16223178 
Hf       8.12876601       8.02175655       4.10440559      -0.19979416      -0.49624611       1.06159836 
Hf       6.45135695       7.60369159       1.09663312      -0.92717333      -0.68199941      -0.31525676 
Hf       1.19038161       7.67461917       1.11425572       1.13357818      -0.50326783      -1.06806470 
Hf       3.01112721       7.97931323       4.12254062      -0.66587547       0.43570032       0.81800467 
Hf       3.52286325      10.17854497       1.54185530      -0.17213266      -0.87865641      -0.73384440 
Hf       0.71735535       5.49656297       3.67844074       0.68380204      -0.78744456       1.87530364 
Hf       5.47123130       2.43104130       6.23676202       0.60203770      -0.62753621       1.58256038 
Hf       2.59235448      10.21586950       6.80870012      -0.27273926      -1.07855386      -0.53876156 
Hf       5.87814392       0.16959560       3.74143648       0.42131298       0.40470728       0.21966600 
Hf       5.03179046       5.40444562       8.98934865       0.24001851       0.42824916       0.01111682 
Hf       7.76804909      10.10611453       6.69967958       0.11392880       0.80868611       0.78136307 
Hf       7.26811746       2.84330525       9.36156478       0.04136434      -1.44349854       0.18128241 
Hf       2.09750998       2.84808895       9.42057523       0.17041814      -1.36479489       0.43154349 
Hf       3.49985244       4.95003416       1.50374280      -0.53812645       0.61286110       0.45083302 
Hf       2.97296165       2.79244330       4.18404423      -0.72342209       0.96964119       0.00699678 
Hf       1.11342273       2.38164002       1.17746526       1.17625648      -0.79842124      -0.79289379 
Hf       5.11583223       0.20068585       8.86637010      -1.17554650       0.35061571       1.18400443 
Hf       7.69032622       5.01496145       6.83953331       1.08749824       0.17401733      -1.20343351 
Hf       0.34023095       2.36676246       6.39478848      -1.12910585       0.13228245      -0.11571557 
Hf       8.18358993       2.73765247       4.15591390      -0.59802295       1.06917127       0.85611254 
Hf       6.41988700       2.36503892       1.10282647      -0.33696580      -0.46036616      -0.66759749 
Hf       5.47358993       7.54644522       6.28444644      -0.90248381       1.01431088       0.47169812 
Hf       7.29952730       8.02322584       9.35239934       0.28007069       0.51984638       0.48549210 
Hf      -0.08109391       0.19226223       9.03384603      -0.55209708       0.19642879      -0.79284548 
Hf       2.55630856       4.92930126       6.82859191      -0.74347683       1.36072889      -0.91324785 
Hf       8.60599339       4.94950748       1.54119943      -0.74957036       0.17463803       0.69561119 
Hf       2.22541863       8.01653054       9.39897836      -1.62570602       0.28152228      -0.83001337 
O       8.84761403       3.47204873       6.11377949       0.26014202      -0.05285588      -0.33884853 
O       3.79148770       1.62331470       9.67770043       0.25880037       0.11364824       0.41807518 
O       6.25882330       3.86904186       7.72493067      -1.49005513      -0.13983525       0.46540074 
O       8.49765203       4.30451431       8.70687703      -0.06263511       0.12660650       0.25707793 
O       4.25845437       0.95363087       7.07268578       0.26443416       0.55549074      -0.04603445 
O       6.60290492       4.04346801       5.06767340      -0.25849493      -1.48110155       0.84147991 
O       6.53693100       1.32496205       8.01090686       1.22896155       0.83938516      -0.86949205 
O       9.31285190       9.40022664       3.42888951       1.29201859       1.30761692      -0.64391964 
O       5.57689596       3.86385025      10.38287510       0.90684672       0.34071500      -0.52033082 
O       6.66161962       6.55171232       8.09507230      -0.66442561      -0.83782189      -0.52749171 
O       6.16365222       9.00178043       7.65455333       0.33157208       0.64856091       0.75091230 
O       3.86566221       6.93049334       9.68015547       1.20407777      -1.07518418       0.21033357 
O       8.98034507       8.72375046       5.98660596      -0.97349915       0.52661107      -0.09180111 
O       8.54795956       9.45355068       8.61003370      -1.10308668      -0.46733330      -0.00207273 
O       4.37354732       6.05519959       7.08941909      -0.97797087      -0.45684414       0.22004285 
O       6.99331621       1.20873496       5.30389992       0.33512559       0.60415189       0.64569543 
O       6.57168129       9.11153800       5.11910443       0.31783864      -0.21789416      -0.56161647 
O       7.49948187       6.52785007       2.73981728      -0.29971772       0.01031150      -0.02298565 
O       7.05737536       9.07911758       2.44740927      -0.75297452      -0.34823705       0.30794544 
O       4.60809353       6.85405880       4.48653038       1.40940446      -1.08495195       0.16122187 
O       9.84294055       8.83636277       0.80338464       0.75551421      -1.10199369      -0.45752155 
O       8.00859527       1.21723993       0.10398372      -0.60731663       0.33197958       0.14238311 
O       5.12186737       6.20732795       1.87171207       0.21176678      -0.80092475      -0.20265913 
O       7.99519063       6.37019105       0.15861260      -0.45861140       0.46280985      -0.18614158 
O       7.45898836       1.31125943       2.76647070       0.50659668       0.25256859      -0.31375593 
O       0.56947712       9.08907273      10.34073226      -0.07294529       0.08338487       0.65844516 
O       4.67151064       1.66269569       4.57469298      -0.48024913      -0.62231309      -1.66861835 
O       1.83269139       1.21907143       5.38177604       0.50914764       0.38119380       0.11918165 
O       1.43110869       1.27186140       8.01163360       0.49360515       1.40116489       0.31675684 
O       0.93630123       3.88074539       7.79948493       0.45024332      -0.23734412      -0.05850162 
O      -1.35149906       1.64460961       9.76326602      -0.37467354       0.78623857       0.09504652 
O       3.75216590       3.54313123       5.99424408       0.31454310      -0.13529766       0.41166082 
O       3.30516925       4.27075769       8.66627809       0.45320982       0.37037186      -0.07714012 
O      -0.92002393       0.95046733       7.07862774      -0.04405597      -0.23650716       0.44744105 
O       1.35148059       3.94575092       5.18167962       0.49087335      -0.36646878      -0.27173789 
O       2.74093232       1.20481158       0.15879625       0.35926767       0.80035457       0.62557015 
O       2.30170120       1.36877761       2.84715584       0.56219574      -0.67055215      -0.85049604 
O       1.79481968       3.90487820       2.53055647       0.13404744      -0.37213546      -0.28599464 
O      -0.49983429       1.57638984       4.52540523       0.39159311       0.37373678      -0.33796810 
O       4.72441949       3.44534609       0.77431545      -0.82857381       0.50774195      -0.04195692 
O       4.24671645       4.10508298       3.35855953       0.44741062       1.15129239      -0.36829728 
O       0.05312308       0.81636447       1.92830928      -0.28176499       0.75456134      -0.44779049 
O       0.52348127       3.97687276      10.39802597       0.17368877      -0.44214638       0.40881161 
O       0.07779454       6.17884950       1.87995639      -1.09858638      -0.72173687      -0.18248849 
O       4.33816892       9.33128496       3.36375007      -0.55867111       0.70047439      -0.80089992 
O       4.66320621       8.67119427       0.69632467       0.73440049       0.82529969       1.09485799 
O       9.69432050       3.39926606       0.82203200       0.08632910       0.62283855       0.26846318 
O       9.21146314       4.35889639       3.48433932       1.50175487       0.11839604      -0.55424633 
O       5.23464883       0.80857943       1.85380868      -0.56006557       0.58800459      -0.24578329 
O       6.99041973       6.49104297       5.43346758       0.18642302      -0.15282336      -0.59966505 
O       1.86575016       6.45738641       5.39746444      -0.00149641      -0.22278020      -0.17304984 
O       1.44494276       6.56898504       7.99148246       0.17948773      -0.32230042      -0.20676291 
O       0.91324296       9.16419259       7.76754435       1.14865665      -0.93809235      -0.27695501 
O       6.99925665       3.87540332       2.51739473       0.08306411      -0.36105517      -0.79472604 
O      -1.35472130       6.89371169       9.83115409       0.12071568      -0.08850153      -0.20349773 
O       3.49147146       9.41702723       8.53053041      -1.03705707      -0.51595979       0.16140073 
O      -0.99625841       6.30402867       7.18486311       0.02036305      -1.20354562       0.57266058 
O       1.37682962       9.05458069       5.15564720       0.35706101       0.53873961      -0.79035532 
O       2.91934211       6.48174968       0.03366099      -0.81423071      -0.42968672       0.94846436 
O       2.51612588       6.45668590       2.80291803      -1.34990154      -0.19272553      -0.68919660 
O       1.97556067       8.99622910       2.47412707      -0.30124989       1.09213575       0.77479001 
O      -0.56812831       6.87376222       4.51443747       1.39281251      -0.87104713      -0.16344002 
O       3.81460259       8.86699638       5.84787737       0.34361312      -0.67586826       0.99084671 
O       5.77216734       9.05065731      10.38303471      -0.58446339       0.37563531      -0.53897237 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0067869937863469796 -0.00237755314897677 0.0001026395453941204 -0.00237755314897677 -0.004756036607371771 0.0018632219389828712 0.0001026395453941204 0.0018632219389828712 -0.005639933489659869" pbc="T T T" energy=-972.32449556 free_energy=-972.32449556 config_type=crystal 
Hf       0.82247470       0.28435475       3.77268822       0.23338761      -0.05318590      -0.25393121 
Hf      -0.09714295       5.45879082       8.89839919       0.57534399      -0.07265667       0.91046005 
Hf       0.37630128       7.64835552       6.28802746      -0.56949458      -1.17405801       0.49999968 
Hf       6.01595135       5.39327034       3.69709482      -1.01650456       0.84165130      -0.88980280 
Hf       8.69693446      10.27207955       1.52083785      -0.60930684      -0.57182620      -0.78600561 
Hf       8.20982676       8.11977288       4.12946439       0.51665414      -0.98989854       0.78041406 
Hf       6.37165859       7.61203219       1.19050352      -0.56541235      -0.38913312      -0.47256331 
Hf       1.19265130       7.55443110       1.12537028       0.16887133      -0.00741975      -0.82357767 
Hf       3.05991770       7.89907698       4.17788553      -0.05625699       1.13941570      -0.42114203 
Hf       3.37810038      10.18160241       1.58815070       0.83688113       0.05758336      -0.14147459 
Hf       0.78809406       5.44196207       3.74666661      -1.06418224      -0.47985360      -0.24380384 
Hf       5.42946942       2.27268779       6.32555424       0.56449872       0.06744981      -0.31347563 
Hf       2.54535751      10.13806219       6.83438508       0.01898150      -0.23642141      -0.02999015 
Hf       5.97092161       0.17796893       3.65062753      -0.97925283       1.21387299       0.94841640 
Hf       4.96550060       5.47393270       8.93811556       0.41025547      -0.62993668       0.73092467 
Hf       7.68161630      10.26306108       6.85273128       1.10894234      -1.12158470       0.49098577 
Hf       7.25226184       2.86986243       9.29761474       0.35917896      -0.96994369       0.39606366 
Hf       2.12490819       2.79840193       9.32391094      -0.67596520       0.50008604       0.97742318 
Hf       3.41628401       4.84495877       1.61326957       1.24501564       1.70522955      -0.71929696 
Hf       3.02565443       2.78829477       4.23634260      -0.39506299       0.30210827      -0.72460314 
Hf       1.27920034       2.40007853       1.07550342      -0.43222428       0.30728866      -0.96111283 
Hf       4.98300606       0.09062478       9.02263729       0.59459961       0.87373881       0.14897211 
Hf       7.70762912       5.00127182       6.68412969       0.72963261      -0.04554760       1.03662460 
Hf       0.28683225       2.39002166       6.38595591       0.13531338       0.53621273      -0.58052677 
Hf       8.14706220       2.88157375       4.10065478      -0.06947472      -0.64667959      -0.06525518 
Hf       6.27807473       2.32235704       1.02905828       1.06582482       0.98972162      -0.05324934 
Hf       5.57735729       7.64342283       6.32537793      -0.82778558      -0.65782912       0.88246613 
Hf       7.18562624       7.92285923       9.45946309       1.71171272       1.25059449      -0.82718724 
Hf      -0.09798384       0.18481395       9.03432192      -1.68755563      -0.25493933      -0.91801679 
Hf       2.60539609       4.99979422       6.72203638      -0.69417214      -0.41151327       1.37895188 
Hf       8.59867096       4.92084720       1.44253048       0.86195114       0.69663417       0.11638392 
Hf       2.08694063       7.97645320       9.53098731       0.12136856       0.28925553      -1.03308237 
O       8.90602874       3.52680507       5.96609201      -0.39243907       0.35858141       0.54068806 
O       3.77875737       1.70297263       9.66559242       0.27260386      -0.39017616      -0.25727961 
O       6.21818792       3.77602503       7.63991289      -0.30049316       0.37934665      -0.29858858 
O       8.45436126       4.38381439       8.66900215      -0.14734643      -0.38851075      -0.64478653 
O       4.27749028       0.77256459       7.07121758      -0.04537569       0.63091344       0.06979522 
O       6.61009940       3.99472454       5.04565651      -0.12901796      -0.43317409       0.44965014 
O       6.52925865       1.24961827       7.93349203       0.31725532       0.64005564       0.28052190 
O       9.42382604       9.60363590       3.42212409      -0.51567985       0.12652531      -0.23781571 
O       5.66902875       3.84912585      10.22171369      -0.00839043       1.06280878       0.47001293 
O       6.61028570       6.50884040       8.01021466       0.11245814      -0.12244226      -1.20999069 
O       6.12798398       9.03617979       7.96623191      -0.61339183      -0.38478246      -1.38450346 
O       3.82856760       6.94068300       9.79699044       0.90721018      -0.37456788       0.07025850 
O       8.94416291       8.65067313       6.06521827      -0.25155006       0.70042650      -0.42285838 
O       8.47283111       9.42223235       8.59560537       0.32866018       0.31877175       0.37740446 
O       4.33828904       6.04304554       7.08792454      -0.04314592       0.23277836      -0.65611286 
O       7.08775313       1.30239152       5.26940087      -0.36709953      -0.14096948       0.57501277 
O       6.64864330       9.15242943       5.28919133      -0.70355972       0.22446916      -1.03983154 
O       7.58017961       6.57365039       2.72676117      -0.63222751       0.54359741      -0.20639263 
O       7.05535109       9.15766676       2.54699294       0.29211791      -0.74157343       0.42517951 
O       4.70004142       6.82716341       4.45832508       1.13865457       0.13292479       0.80555023 
O       9.77363348       8.70920634       0.66138103       0.73003007       0.61628352       1.90425953 
O       7.92122700       1.28052026       0.04215040       0.17611488      -0.96313946       0.63048489 
O       5.12769782       6.05423745       1.88313303       0.28381334       0.48348986      -0.37898785 
O       8.12956019       6.44335494       0.09596180      -1.79212773      -0.67600245       0.49504839 
O       7.40442058       1.37699155       2.66906381       1.43614339       0.34626811       0.06780910 
O       0.57702345       9.18283382      10.44848737      -0.31602214      -0.27446641      -0.13208039 
O       4.68068599       1.62652686       4.47628958       0.37690041      -0.16450027       0.24692805 
O       1.83959248       1.28932811       5.45282142       0.26800878      -0.46212893      -0.32370242 
O       1.36492270       1.25882459       8.00765924       1.12715992       0.54433655      -0.02334265 
O       0.99804654       3.84244530       7.74340277       0.36439435      -0.21381330      -0.05818731 
O      -1.41164265       1.59829840       9.71041511       0.36778796       0.58219434       0.11677231 
O       3.78094447       3.47284826       5.99543201       0.06534529       0.27687923       1.39349454 
O       3.28877697       4.36837618       8.74064397      -0.02951336      -0.33425511      -0.72193551 
O      -0.89986668       0.96455595       7.11429445      -0.74971384      -0.58319300      -0.17644674 
O       1.33446618       3.91232866       5.14595946       0.83645116       0.19760981       0.01340035 
O       2.75448924       1.28970964       0.04555122       0.36563980       0.09592296       1.14023983 
O       2.47302013       1.33989342       2.81391571      -0.95752595      -0.66316250      -0.45392335 
O       1.92657770       3.78178063       2.61567548      -0.86777747       0.28283548      -0.80695211 
O      -0.44575685       1.81320431       4.42062997       0.81030084      -1.06474576      -0.42421898 
O       4.57759628       3.39000789       0.81078693      -0.07174568       0.35197620      -0.09315837 
O       4.22636302       4.25211958       3.47213281       0.36444076       0.18159712      -0.28831810 
O       0.15829712       0.87468935       1.76503925      -0.20134410       0.05261130       0.78741823 
O       0.57950060       4.00263976      10.38589296      -0.51009425      -0.59183829       0.05963555 
O       0.06756402       6.08343521       1.86126210      -0.57687053      -0.40311113      -0.45092285 
O       4.24762186       9.44044343       3.42915633      -0.22099486      -0.35929864       0.09844068 
O       4.71518817       8.86037547       0.80805530       0.32401456      -1.15512419       0.45004794 
O       9.86097466       3.52188121       0.71078796      -0.10191887      -0.17213923       0.28866267 
O       9.26713735       4.40435164       3.39036853       0.54722851      -0.06308070       0.07918377 
O       5.14447555       0.96182486       1.88283145      -1.08153951      -1.12986219      -0.00322017 
O       7.16312400       6.53659402       5.28973778      -0.47483358      -0.46926920       0.46902093 
O       1.95987746       6.35147637       5.32401599      -0.09172903       1.18120290       0.13276869 
O       1.54758418       6.52594636       8.01414377       0.24919689      -0.11534402      -0.51860392 
O       0.93468480       8.96567062       7.72683421       0.62821961       1.23401101       0.84076531 
O       7.00729034       3.95925882       2.34331309      -0.33181741      -0.84950943       0.53130330 
O      -1.22629409       6.90105431       9.71705095      -0.86610710       0.42421397      -0.05639294 
O       3.26908535       9.54072411       8.75208982      -0.85253397      -0.45455287      -0.19907616 
O      -0.73320544       6.05124005       7.05115328      -0.87105254       0.25127110      -1.12979689 
O       1.60323862       9.12481036       5.09965461      -0.71662502       0.32989893       0.49971948 
O       2.85976500       6.53612012       0.10267535      -0.34858211      -0.66528028       1.26641294 
O       2.30695010       6.50119709       2.77429144       0.84942179       0.16718490      -0.19429205 
O       1.82920268       9.04794410       2.50451114       0.35818768       0.17979972       0.29004440 
O      -0.30769379       7.10893305       4.34316002       0.24789355      -0.85603268       0.04091078 
O       3.81120547       8.63404793       6.25731566       0.04904115      -0.59986396      -1.23961938 
O       7.40410636       9.03003050       0.04936273       0.28576102       1.00435743      -1.06983837 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-5.24698955836867e-05 0.00044535399576840464 -0.00012500360284872783 0.00044535399576840464 -0.002137506954938585 -0.001502315461823521 -0.00012500360284872783 -0.001502315461823521 0.005599128737455111" pbc="T T T" energy=-973.12830886 free_energy=-973.12830886 config_type=crystal 
Hf       0.78724876       0.18280364       3.71226701       1.27072321       0.68957310       0.30138364 
Hf      -0.12048803       5.41134842       8.97665617       0.68512819       0.50413626       0.21640216 
Hf       0.32559899       7.61696311       6.43546418       0.89564751      -0.08933071      -1.15657484 
Hf       6.04873014       5.44904410       3.78262576      -1.00494175      -0.37301910      -0.81375617 
Hf       8.66005676      10.15881473       1.51137389      -1.25060791       0.84766724      -0.42023237 
Hf       8.25093590       8.01413839       4.10219385      -0.77909030      -0.16921669       0.33434771 
Hf       6.41111406       7.58285458       1.04217005      -0.36732639       0.11648832       0.31377651 
Hf       1.21911008       7.65557594       1.02919605       0.39235075      -0.79391771       0.57272032 
Hf       3.00512377       7.99149066       4.18636328       0.22802978       0.27534232      -0.38473436 
Hf       3.53477459      10.23773671       1.56190638      -2.14434911      -1.19004769      -0.05359524 
Hf       0.80419898       5.48028408       3.73270588      -0.06367204      -0.94411337      -0.11193853 
Hf       5.51456186       2.42235013       6.33418960      -0.27974017      -0.23685450      -0.96112696 
Hf       2.63772900      10.19107306       6.75004196      -0.18174956       0.33484181       0.19382644 
Hf       5.95343318       0.18622256       3.68909285      -0.28719150       0.54087318       0.55751244 
Hf       5.03358971       5.36404379       8.96484207      -0.90102878       0.32073423      -0.26570273 
Hf       7.67317267      10.13547355       6.73399613       0.06500168       0.69018169      -0.22278501 
Hf       7.20485715       2.79388693       9.43789804       0.60917411      -0.72115794      -0.70733292 
Hf       2.04511430       2.81185425       9.43990271       0.00521776       0.23022865      -0.17011177 
Hf       3.47252798       4.95194088       1.60801697       0.51957241       0.95428946       0.85493315 
Hf       2.97619425       2.79258004       4.20446724       1.03071527       0.16876149       0.30223250 
Hf       1.16197144       2.39198854       1.07848895       1.70923612      -0.60634643       0.58320018 
Hf       5.02080840       0.22210077       8.94814887      -0.33559366       0.24120573      -1.00652165 
Hf       7.71381524       4.92833517       6.80926600       0.49790905       0.73721508      -0.09288368 
Hf       0.30580860       2.37856459       6.38120461       0.73188965       0.23446239      -1.10853596 
Hf       8.20408433       2.77330864       4.15808395      -0.46839479       0.04050304      -0.30228195 
Hf       6.32675211       2.36365254       1.04127624      -0.08076855       0.25921254       0.99972982 
Hf       5.44948831       7.55440792       6.31203662       0.32177778      -0.49997861       0.08590824 
Hf       7.23431186       8.03093513       9.35067892       0.01485562      -0.88245277       0.06049083 
Hf      -0.16166003       0.20398633       8.94810676       0.90791457      -0.18939934      -0.45684472 
Hf       2.52788828       4.98156497       6.80993825      -0.09695003      -0.65120035      -0.54734683 
Hf       8.55895662       4.92137264       1.55021849       0.38518092       1.44417594       0.46930317 
Hf       2.09836517       8.01087947       9.44511699       0.31156772       0.31096261      -0.37899958 
O       8.88847876       3.43779328       6.02255555      -0.18436729       0.51863068       0.82683036 
O       3.75980007       1.74506922       9.67441637       0.33863205      -0.44872707       0.06304698 
O       6.09524988       3.82017505       7.91551114       0.49487264       0.13389038      -1.08203977 
O       8.52115956       4.28286904       8.74017669      -1.01153523      -0.36352348      -0.31760291 
O       4.36093251       0.93527443       6.96568586      -0.71453962      -1.37545756       1.12624617 
O       6.59431166       3.91656385       5.20473880      -0.00600309       0.40649917       0.09977437 
O       6.70334653       1.35859668       7.88045000      -0.37164623       0.01234489       0.77118249 
O       9.38645581       9.52209826       3.34761151      -0.37744280      -0.23443543       0.41672951 
O       5.56208457       3.79876055      10.39967656       0.82855610       1.40880239      -0.05856124 
O       6.62836670       6.39888146       7.96651175      -0.53267862       1.15928544       0.18396113 
O       6.05088230       9.06746653       7.77574899       0.59001729      -0.59036394      -0.73578390 
O       3.86340545       6.96281703       9.57584832       0.44589810      -0.33113873       0.69482500 
O       8.87394389       8.61709491       6.02836164       0.16550276       0.68150692       0.15609839 
O       8.38469479       9.51424299       8.67009159       0.48168999       0.46140670      -0.63099071 
O       4.24150192       5.98447170       6.91528589       1.55803197       0.55389178       1.25170885 
O       7.12744220       1.24398299       5.26011363      -0.38177031      -0.51217755       0.72493225 
O       6.57553417       9.07212418       5.06547342       0.21492233       0.31487620       0.58395922 
O       7.59674785       6.59664609       2.71932927       0.09892490      -0.20014860      -0.05729746 
O       7.02531799       9.11345439       2.48075346       0.31773968      -0.63686946      -0.47752873 
O       4.79236266       6.95092097       4.46026013       0.01261111      -0.10638309      -0.33336753 
O       9.77587558       8.72346639       0.73045514       0.20046706      -0.56371701      -0.29686677 
O       6.09320292       1.18844780      10.48367630       0.71091168       0.78583382       1.02158629 
O       5.31377513       6.10546254       1.87558994      -0.83984217      -0.22290533      -0.62352096 
O       8.02266604       6.43357580       0.09185429      -0.79345576      -0.45599503      -0.22051276 
O       7.49368723       1.33784736       2.72975236       0.28891049       0.19184514      -0.97822724 
O       0.52083457       9.15970700      10.38642020       0.09401668       0.06222759      -0.26465239 
O       4.74231350       1.71133089       4.42677565       0.12483129       0.11675453      -0.11805003 
O       1.94132945       1.27279196       5.39063485      -0.16413770       0.39155955       0.01461166 
O       1.37183283       1.47318148       7.95623546       0.46292411      -1.21575292       0.78675563 
O       0.83172827       3.89635805       7.73366348       0.60746387       0.60302455       0.94848178 
O      -1.29961104       1.60845242       9.70881503      -1.30630607       1.65593846       0.28948107 
O       3.73261153       3.41885904       6.11459864      -0.03083238       0.20741856      -0.13506045 
O       3.27360522       4.27400695       8.70147385       0.03173241       0.53045988       0.05327161 
O      -0.89575543       0.88533161       6.96571800      -0.33269435      -1.00154534       0.71716845 
O       1.40795786       3.97444528       5.22236613       0.08406901       0.31703955      -0.86686115 
O       2.81797314       1.26620659       0.12329178      -0.15713776       0.26543383      -0.01365652 
O       2.32843152       1.26916761       2.77113559       0.43282430       0.73147153      -0.23795831 
O       1.91580258       3.79980239       2.59487161      -0.28915258       0.45329759      -0.44122141 
O      -0.29666744       1.78950124       4.35775373      -0.58964870      -0.02123221       0.05765594 
O       4.60734689       3.48928696       0.92333125       0.84685772      -0.96747401      -0.83290795 
O       4.32285513       4.34232740       3.50456817      -1.05223923      -0.21216045      -0.09465748 
O       0.06441511       0.87414718       1.76015217      -0.60146801      -0.15468526       0.24871564 
O       0.56402301       3.96687460      10.46873943      -0.68122645      -0.00504538      -0.41625544 
O       0.01590534       6.12710417       1.64852476       0.17084198      -0.81427501       1.19329838 
O       4.18632984       9.53204323       3.48324799       0.04651367      -0.01799808      -0.53589680 
O       4.66280911       8.68536560       0.79513349       0.23599163      -0.23310240      -0.04059556 
O       9.73558261       3.44203875       0.83975584      -0.06543484      -0.17398365      -0.32985169 
O       9.25519085       4.39094598       3.51949244       1.19023440       0.86674715      -0.83962901 
O       5.17273962       0.84554312       1.76542609       1.00819476       0.51667545       0.39488963 
O       7.18945822       6.44767221       5.35227674      -0.38429074      -0.26264752       0.14355484 
O       1.97146827       6.49456767       5.38469247      -0.61067949      -0.15636471       0.21776415 
O       1.54977972       6.55340157       7.98535368      -0.81331183      -0.04233664       0.36146566 
O       0.95797600       9.11077099       7.73567308       0.15896834      -0.11516629       0.35454765 
O       7.01614912       3.88655283       2.54473615       0.01544604      -0.50541840      -0.29513168 
O      -1.20057365       7.02946683       9.54935367      -0.54338403       0.24662908       0.83053588 
O       3.30744484       9.53531326       8.64217715      -0.25370071       0.09870114       0.25098837 
O      -0.91069881       6.23376035       7.12320829      -0.20066050      -1.66916228      -0.19847994 
O       1.58158933       9.21964310       5.19291262      -1.22250131      -0.59128468      -0.66041279 
O       2.85925057       6.48041349       0.18955100      -0.18574252       0.06457685      -0.49684248 
O       2.37120419       6.51047656       2.79766595      -0.07370543       0.20014096      -0.41771118 
O       1.81026005       9.10351025       2.50814214       0.43360388      -0.96064515      -0.13688939 
O      -0.22100176       7.06003383       4.36296643      -0.78295429       0.19057741       0.40016166 
O       3.77369264       8.64163305       6.05780454       0.28279116       0.19323890       0.44481884 
O       5.65364082       9.15221674      10.29731843       0.27484874      -0.73805333       0.77332657 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0038819156073407616 0.0027669817874301614 0.0015133158407899794 0.0027669817874301614 -0.004424079104625018 -0.0021323660360829054 0.0015133158407899794 -0.0021323660360829054 -0.004027950174917445" pbc="T T T" energy=-972.21592471 free_energy=-972.21592471 config_type=crystal 
Hf       0.75648513       0.31153617       3.76835263      -0.09554253      -1.38550117       0.32800335 
Hf      -0.15730181       5.39706124       8.96046815      -0.10628853       0.18982166       0.43181508 
Hf       0.33555299       7.54120020       6.46126684      -0.37447423      -0.53591546      -0.52928901 
Hf       5.97323710       5.43222273       3.60528842      -0.69444291      -0.46162366       0.38766148 
Hf       8.65731462      10.18278795       1.51629341      -1.65872799       0.38243448       1.05276498 
Hf       8.23015834       8.00401439       4.20941984      -1.24563115       0.05163502      -0.59905327 
Hf       6.52523060       7.56860585       1.03796603      -2.26025058       1.49110326       2.12151288 
Hf       1.23294310       7.67830939       1.10779955       0.02578639      -2.12391097      -0.52454714 
Hf       2.93673727       7.95917154       4.16177574       0.53732346      -0.11819588       0.09214401 
Hf       3.48182285      10.21136240       1.61687852      -0.09971729      -0.26865252      -0.28791159 
Hf       0.68193266       5.46803423       3.69956152       0.52138316      -1.21946975      -0.04551246 
Hf       5.51030104       2.35447251       6.22046690      -0.53902224      -0.12254619       0.78603670 
Hf       2.57611556      10.17429856       6.76955793       0.23348598       0.28778812       0.35345740 
Hf       5.95490698       0.12962060       3.68745791       0.06460269       1.07239502       0.30123355 
Hf       5.01896763       5.46289176       8.93601260      -0.23978267      -0.72653163      -0.73114183 
Hf       7.73032616      10.17907342       6.83266844       0.13011590       0.44102060      -0.42593812 
Hf       7.24108185       2.79400071       9.43618624      -0.29202447       0.61132252      -1.23134092 
Hf       2.16578300       2.84161829       9.44506585      -0.13413551      -0.30226602      -0.23244064 
Hf       3.41628394       4.91373722       1.49045809       0.36767211       0.93662418       0.70618191 
Hf       2.91146694       2.84374300       4.17288326       1.21843568       0.15915696      -0.84910108 
Hf       1.14316971       2.30527103       1.08943129       0.93724318       1.74328967       0.28478786 
Hf       5.08472368       0.15928208       8.97580457      -0.42390032       0.89816687      -1.11337927 
Hf       7.58939115       4.94861661       6.81056083       0.60101034      -0.32837116      -1.04072090 
Hf       0.34608492       2.42546587       6.34683861      -0.80188355       0.23038928       0.73514952 
Hf       8.20736739       2.83969494       4.18216851      -1.32510613       0.34976258      -0.38019431 
Hf       6.42874404       2.33638508       1.06048622      -0.63754278       0.49347957       0.30127914 
Hf       5.41934794       7.55197119       6.26085467       0.63600210      -0.40301491      -0.16820031 
Hf       7.32260772       8.01367768       9.35874085      -0.28543337       0.53307159      -0.13771647 
Hf       0.00390627       0.26137006       9.01000991      -0.77991332       0.16055814      -0.89828050 
Hf       2.53856259       4.91350157       6.76987200       0.02449603       0.88383817       0.75473366 
Hf       8.53204376       4.94569777       1.45296512       0.70609594       1.38197667       1.39496525 
Hf       2.19064897       8.03061584       9.53988823      -1.19998153       0.36232011      -0.38695998 
O       8.90980265       3.50644830       6.07964597      -0.08299499      -0.07118004       0.12149778 
O       3.91866029       1.66183859       9.65281551      -0.48587973       0.70866035       0.66429668 
O       5.99884496       3.87403907       7.72120580       0.44273868      -0.23448269       0.28595844 
O       8.39329362       4.29633943       8.72830400      -0.09703179       0.21014006      -0.26544916 
O       4.27678189       0.87971981       7.05771278       0.52592980       0.11856924      -0.32506023 
O       6.60633903       3.89226802       5.08332715      -0.72286606       0.20633949       0.27890738 
O       6.63369340       1.39540721       8.00466941      -0.20791801      -0.93035991      -0.71712936 
O       9.34160527       9.57144915       3.53951979      -0.16632871      -0.24026042      -0.82470269 
O       5.57529795       4.08673393      10.40774321       0.79235837      -1.01021400      -0.48340042 
O       6.67395403       6.49637350       7.90376015      -0.91142399       0.48434090       0.97012533 
O       6.24529724       8.96976731       7.78407133      -0.80434193       0.56654481      -0.08139964 
O       3.77865229       6.89725125       9.67259946       0.95969163      -0.03591845       0.28199158 
O       8.77049181       8.54942230       6.06157667       1.01245065       0.75805962       1.53672316 
O       8.51270495       9.61239596       8.71105111       0.06958249      -0.35090258       0.03878762 
O       4.30139714       6.01667746       7.02889666      -0.31773931       0.32204411       0.40149696 
O       7.12883971       1.28748155       5.39182688      -0.09125807      -0.67757242      -0.11917739 
O       6.46462757       9.16352335       5.20252506       0.60558712      -0.35737315      -0.61879146 
O       7.59167907       6.61209510       2.72896198      -0.16910271      -0.40691582      -0.54713476 
O       7.03648984       9.10556202       2.50703726       0.56219654      -0.16844539      -0.15191455 
O       4.60672569       6.76670488       4.44864963       0.27626003       0.97378968       0.01081090 
O       9.82285839       8.80701517       0.76494998       0.53336075      -0.71430214       0.03578031 
O       8.05318132       1.22624458       0.03131442      -0.46455599       0.13456070       1.16155759 
O       5.33705896       6.08687534       1.73142499      -1.23259214      -0.54815504       0.13454458 
O       7.97365230       6.62922143       0.09887739       1.34265678      -1.89816799      -1.14844033 
O       7.54932611       1.45505124       2.71588928      -0.43204662      -1.17372059      -0.38105458 
O       0.52652460       9.18973900      10.47875835       0.43735085       0.36737994      -0.59865315 
O       4.80354289       1.67070567       4.37337293      -1.09963592       0.96491642       0.32903222 
O       1.81823267       1.23666334       5.34569844       0.90731998       0.22401941       0.32786293 
O       1.57035505       1.38700572       7.96808642      -0.64649743      -0.27456913       0.37489527 
O       0.95301321       3.90354388       7.81089098      -0.05247491      -0.62603154       0.06766028 
O      -1.28530609       1.77946276       9.68074665       0.09468816      -0.61157396       0.04064398 
O       3.68297324       3.49326374       5.96639485       0.81726317      -0.73301106       0.09031998 
O       3.31372177       4.26138689       8.70164343       0.58992141       0.93898665      -0.85791354 
O      -0.83278439       0.92949442       7.04894101       0.21654321      -0.70694557       0.42761467 
O       1.30716926       3.99117563       5.21120264       0.60767742      -0.62884021      -0.79666224 
O       2.78722518       1.35338408       0.14183497       0.24221635      -0.82634734       0.10991611 
O       2.35048840       1.28795566       2.79687840      -0.02021299      -0.16057264      -0.50987965 
O       1.76401400       3.71978911       2.57230722       0.23448922       0.65861726      -0.29331325 
O      -0.40048487       1.80809405       4.42431767       0.68093043      -0.37298834       0.33255913 
O       4.75130848       3.57059673       0.71664561      -0.20498344      -0.66298890       0.53329466 
O       4.14104556       4.33809574       3.33491379       0.19589594      -0.76145656       0.36721108 
O      -0.05833495       0.98471406       1.94289995       0.34089010      -0.41892342      -0.47806601 
O       0.49881294       3.95099812      10.47401713       0.09454974       0.01778137      -0.53919949 
O       0.05751533       6.12151222       1.81906665      -0.75552557       0.00871802      -0.30709578 
O       4.16276179       9.56364895       3.50394496      -0.07741262      -0.48030554      -0.05762619 
O       4.71385923       8.76176492       0.97089890      -0.04427839      -1.22888737      -1.75492489 
O       9.70966736       3.49055156       0.78672788       0.55219319      -0.54824119       0.28143707 
O       9.22567424       4.38421567       3.40266829       0.92487319       0.25302797      -0.26157056 
O       5.19233833       0.87275800       1.73179083       0.47802327       0.43281144       0.54131885 
O       6.99213035       6.37394351       5.23797199      -0.00824719       0.78110375       0.71613363 
O       1.91715869       6.39131369       5.41743970      -0.52881625       1.20463391       0.04682104 
O       1.43722065       6.46228523       8.08231388      -0.14063221       0.96953480      -0.79029470 
O       1.07121492       9.05401016       7.81738811      -0.85520141      -0.16496972      -0.07579494 
O       7.02488134       3.88177008       2.46065943      -0.39896786       0.02029634      -0.12529502 
O      -1.30622122       6.98942606       9.68697129       0.43360742      -0.48793666      -0.20501888 
O       3.32144332       9.53370391       8.66746613       0.19082236      -0.43213569       0.46779332 
O      -1.01066725       6.04838127       7.07899621       1.75839682       0.85742281       0.49966326 
O       1.31660965       9.06064706       5.09773143       0.47788814       0.16320962       0.62166850 
O       2.77300304       6.49055878       0.10183037       0.18438614       0.06405262       0.77069488 
O       2.33927127       6.41001955       2.79356505       0.17938085       0.75512441      -0.32179622 
O       1.92797573       8.94501513       2.50803009      -0.24121527       1.05867731       0.81751161 
O      -0.45687131       6.83739577       4.56273964       0.23653796       0.57355739      -0.07850278 
O       3.74775518       8.71349026       6.03819166      -0.00611788      -0.75262771      -0.20890479 
O       5.65881375       9.13078758      10.38193918       0.42731516       0.21441574      -0.14425553 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00590667702121047 0.0009163120912767722 0.001175326412552281 0.0009163120912767722 0.0025778376718153147 3.538862024568122e-05 0.001175326412552281 3.538862024568122e-05 -0.009582014623540311" pbc="T T T" energy=-973.23333167 free_energy=-973.23333167 config_type=crystal 
Hf       0.78355189       0.20084597       3.75194032      -0.29694057       1.50169526      -0.74730254 
Hf      -0.04337160       5.43478082       8.95905120      -1.26953861      -0.17940540       0.46994711 
Hf       0.38023655       7.63948668       6.40440250      -0.42464582      -0.74588752      -0.77068985 
Hf       5.86576222       5.42447811       3.65467015       0.41434803      -0.65576418       1.28538579 
Hf       8.65297560      10.19715721       1.53620221      -0.39868621      -0.35923492       0.18159292 
Hf       8.21769898       8.04008586       4.23795749       0.02616817      -0.15127992      -1.05114570 
Hf       6.36231811       7.52095762       1.18851072       0.66134322       1.20486390      -1.10797877 
Hf       1.20535674       7.55825836       1.05874827      -0.95627680       0.41237001       0.48121904 
Hf       3.07071963       7.99641254       4.07156112      -1.44218619      -0.55338154       1.33406445 
Hf       3.43521952      10.16116491       1.50517403       0.27851857       0.17752272       0.61368456 
Hf       0.75067392       5.42856804       3.64895762      -0.29994701      -0.78441517       1.60639622 
Hf       5.47465167       2.37028072       6.31629923      -0.08189757      -0.56932709       0.02372633 
Hf       2.62083444      10.18464656       6.71179264       0.24878682       0.08681694       0.83310491 
Hf       5.98736406       0.16613043       3.73206944      -0.63487367       0.87443508      -0.62234398 
Hf       4.98898300       5.40977429       8.97410180      -0.42938867       0.85832402      -0.54417545 
Hf       7.72654221      10.21816275       6.82725529      -0.11345746      -0.17208496      -0.09863092 
Hf       7.21884615       2.82993378       9.39580498       0.90599259       0.09604385       0.39379731 
Hf       2.12684832       2.77427546       9.40083150       1.02096156       0.14319969      -0.78548396 
Hf       3.42678454       4.94348266       1.57133349      -0.07655448      -0.15635233      -0.57381865 
Hf       2.97529598       2.78811897       4.16812629       0.48719842      -0.41280821      -0.56209984 
Hf       1.27005858       2.37331469       0.96175090      -0.71022506      -0.36087930       2.04282173 
Hf       5.07880141       0.18717525       9.03215775      -0.04239356      -0.75904336      -1.47463735 
Hf       7.69860989       5.00308618       6.86241786       0.15113230      -0.35621548      -0.44036765 
Hf       0.30172325       2.41370447       6.35516106      -0.14376934      -0.66287808      -0.83013277 
Hf       8.07819333       2.88325916       4.16842576       1.13951598      -1.30228319      -0.13527720 
Hf       6.35156650       2.36356973       1.07285895       0.03461631      -0.26418327       1.09733940 
Hf       5.49423894       7.60754390       6.31590850      -0.49217383      -0.52975473       0.97194157 
Hf       7.23069336       7.97758824       9.44381649       0.28765653       0.54125265      -0.37242924 
Hf      -0.08510069       0.21225472       8.97560065      -0.12485421      -0.76915106      -1.06039525 
Hf       2.51551366       4.98714331       6.74056487       1.25577529      -0.13173499      -0.06613304 
Hf       8.59237415       4.95704719       1.53563297       0.26963454       0.01245331      -0.07874809 
Hf       2.14404973       8.02923663       9.42944476       1.05059161       0.29639198      -0.41052756 
O       8.85792316       3.48975306       6.03344098      -0.15875608       0.42535434       0.47656810 
O       3.96556504       1.72110691       9.71667682      -1.04990523       0.02173019      -0.08101901 
O       6.17485389       3.81734287       7.79210207      -0.27497559       0.58572510       0.06295570 
O       8.50665958       4.35326703       8.81193738      -0.77747304      -0.82274974      -0.85449582 
O       4.29034014       0.89525943       7.14299874       0.23045986       0.18685343       0.10488912 
O       6.52120711       3.91715308       5.14158093      -0.04193151       0.25960307      -0.25290184 
O       6.65810476       1.35986793       7.94163912      -0.22541159      -0.26384249       0.65510113 
O       9.33894445       9.62224845       3.39858976      -0.39201482      -1.55753805       1.17187937 
O       5.65966480       4.00236452      10.38739056       0.40830092      -0.78366513       0.16646327 
O       6.54143228       6.57073851       7.99585112       0.01167304      -0.75868723       0.08398352 
O       6.14580097       9.07324862       7.74642243       0.03703346       0.21651137       0.26754414 
O       3.83664447       6.84103747       9.81946400      -0.48376907      -0.16941716      -0.19275675 
O       8.92329105       8.80895473       6.02500355       1.31370406      -1.34663942      -0.33368480 
O       8.53482230       9.35840612       8.58551158      -0.00348161       0.57754690       0.54658798 
O       4.13337960       6.24286443       7.16514248       0.64988208      -0.72294878      -0.19538833 
O       7.14868881       1.23406504       5.30817303      -0.78631379       0.34910574       0.13348082 
O       6.64780038       9.12815063       5.11955438      -0.73698973      -0.31920943       0.51335056 
O       7.43890535       6.50775659       2.75308246       0.45223081      -0.31799868       0.41977395 
O       7.04156452       8.98917472       2.54680602       0.07789336       0.56728020       0.22179281 
O       4.71381000       6.86320527       4.47064898       0.06781687      -0.17467168      -0.08304897 
O       9.84334745       8.74982024       0.76704096       0.30306338      -0.28991035      -0.30637845 
O       8.07509715       1.19999152       0.09416232      -0.64806595       0.93582710      -0.42771784 
O       5.07198351       6.16357961       1.86994850      -0.47708491      -0.66735181       0.40633946 
O       8.00288269       6.52459760       0.18521604      -0.42204762      -0.83065214       0.02355870 
O       7.45868287       1.31638610       2.68358360       0.10897234       0.30803572       0.38126719 
O       0.58614886       9.11017303      10.33681186      -0.56379908      -0.02062748       0.49649995 
O       4.66384296       1.55836174       4.55807518       0.38235772      -0.04665248      -0.33860909 
O       1.96506441       1.39087943       5.37624475      -0.56115975      -1.39176183       0.27745254 
O       1.46680694       1.29872717       8.02069886       0.52630847       0.68022627      -0.59039110 
O       0.95401718       3.87752585       7.71193210       0.32143894       0.28419356       0.34841456 
O      -1.27466363       1.66089962       9.70420611      -0.70762562       0.48561761      -0.16724205 
O       3.78765764       3.46572488       6.03467921      -0.51579932       0.93270866       0.00151170 
O       3.33257664       4.24057316       8.59242044      -0.09734732       0.12094560       0.32918291 
O      -0.83137668       0.90461122       7.11927299      -0.26039817       0.18843173      -0.04984831 
O       1.44365240       3.90878599       5.04150405      -0.10228320       0.82597595       0.74994373 
O       1.13120673       1.19353406      10.48014023      -0.40477479       0.33729228       1.27228594 
O       2.39793881       1.27451830       2.64384907      -0.40952201       0.37101209       0.56670325 
O       1.89801668       3.85442230       2.47682666      -0.46945391      -0.66079025      -0.48965615 
O      -0.42626762       1.73328902       4.49663226       0.08559037      -0.20200221      -0.09769679 
O       4.66823150       3.50371284       0.80893966       0.29647273      -0.28342551      -0.44566654 
O       4.19038637       4.22929751       3.38106585       0.72021817       0.57380936       0.17203218 
O      -0.00930470       0.94609073       1.89805982       1.09119204       0.56738474      -0.73434483 
O       0.64217419       3.87909956      10.33733091      -0.74699758       0.55688289       0.12062488 
O      -0.03825583       6.13614975       1.83685223      -0.41216765      -0.22468095      -0.13393177 
O       4.23731412       9.34535653       3.31134911       0.78375140       1.02755667      -0.03446328 
O       4.64879252       8.69821050       0.77772835       0.54759126       0.03976644      -0.01894701 
O       9.82037591       3.45483689       0.80285940      -0.29029542       0.27825456      -0.18707587 
O       9.39336098       4.26086000       3.41187604      -0.97171028       0.12551969      -0.50704233 
O       5.09652182       0.98313016       1.95416917      -0.03238684      -0.47154264      -0.93544561 
O       7.04436586       6.42452918       5.42359766       0.26664807       0.35490582      -0.48541904 
O       1.92982006       6.49751591       5.42681998      -0.20492474      -0.07958971      -0.20538577 
O       1.44717526       6.60801390       8.02467302      -0.08268256      -0.49354372       0.00896185 
O       1.01400450       9.12444857       7.72487869       0.15857969      -0.30944422      -0.05887476 
O       6.96544386       3.84919993       2.48644761       0.43478587       0.31325586       0.18664918 
O      -1.40865478       6.80182803       9.67442047       0.83210579       0.44127009       0.55490795 
O       3.42027880       9.34890368       8.51906020      -0.14945703       0.42659618       1.18510234 
O      -0.85815851       6.00482567       7.07519300       0.90909335       1.30649641      -0.03653608 
O       1.53534079       9.16223651       5.10873583      -0.49346133      -0.09568379       0.25809342 
O       2.70791551       6.49456123       0.21285316       1.11535596      -1.01106375      -1.23148492 
O       2.22071735       6.41783835       2.73257188       2.03671371       1.66284763      -0.06524006 
O       1.75711582       9.02190529       2.53541216       1.07918692      -0.18837180      -0.70907505 
O      -0.35329538       6.90337706       4.50493014      -0.88935127       0.78349418       0.03549494 
O       3.80802373       8.68207593       6.00511712      -0.13626187       0.47021204      -0.89061323 
O       5.69342168       9.07409169      10.45837420      -0.52723416       0.68213389      -0.64541269 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0075282914339227895 -0.0010128378413047433 -0.00017661932294250093 -0.0010128378413047433 0.0005972750928809459 -0.00010857505205208897 -0.00017661932294250093 -0.00010857505205208897 -0.010396040488771562" pbc="T T T" energy=-973.19360542 free_energy=-973.19360542 config_type=crystal 
Hf       0.85732098       0.21044130       3.74322484      -1.74557171      -0.26634353      -0.50649578 
Hf      -0.07130958       5.44392958       9.00969363       0.18272543       0.08583332      -0.69014479 
Hf       0.30567073       7.63599813       6.29915619       0.47373491      -0.77839411       1.45351161 
Hf       5.92272497       5.37781956       3.64765723       0.12242880       0.59452958       0.02672115 
Hf       8.54668114      10.18212453       1.57836289       1.13352616      -0.07706663       0.77673105 
Hf       8.14436379       8.03189873       4.19765750      -0.17046419      -0.09790589      -0.92222570 
Hf       6.36885925       7.59650213       1.08806695       0.45327766      -1.02652911       1.01798099 
Hf       1.22970510       7.57003337       1.07313197       0.11119505      -0.22753351      -0.10531411 
Hf       3.00882693       7.91682143       4.13776238       0.10620517       0.13118557       0.06837089 
Hf       3.51259680      10.12217678       1.53560892      -0.59815262       0.78976922      -0.48127759 
Hf       0.71946386       5.36266801       3.72903172       0.09205940       1.23846587      -0.03958512 
Hf       5.48098858       2.41098159       6.25198105       0.06953879      -0.16074779       1.29361441 
Hf       2.62726009      10.17137961       6.75222934      -0.76039941      -0.39271244       0.71648865 
Hf       5.83216543       0.23915821       3.78090188       1.49338107      -0.34472331      -0.91960228 
Hf       5.01866328       5.39227942       9.00982416      -0.29309193       0.24392186      -0.51676190 
Hf       7.67879751      10.15064079       6.80196064      -0.12152023       0.18937452       0.00403277 
Hf       7.33959103       2.89298250       9.32350939      -0.33963636      -0.52129798       0.26616576 
Hf       2.12763531       2.75997644       9.42674884      -0.89363763       0.76128105      -1.02660210 
Hf       3.44890703       4.97623890       1.47149781       0.29176335      -0.13941940      -0.09333216 
Hf       3.02935107       2.89504633       4.14352730      -0.58981541      -0.23120885       0.20554660 
Hf       1.21187620       2.34505381       1.14120285      -0.33043493      -0.30412059      -1.94546213 
Hf       5.05222056       0.29116579       9.05084889       0.19518448      -0.21441560      -2.59858007 
Hf       7.72143467       5.01772600       6.77423017       0.95479607      -0.13047953       0.37471537 
Hf       0.30351709       2.35076058       6.36195536      -0.00527564      -0.28861724       0.13924922 
Hf       8.15714875       2.74607516       4.20375057      -0.38820113       0.60530233      -0.83400043 
Hf       6.41753489       2.36096655       1.03546070      -0.33075926       1.23636710       1.01812057 
Hf       5.49750015       7.56153026       6.35627013      -0.46200393       0.13390481      -0.07345630 
Hf       7.20252072       8.04819726       9.49100853       1.28904361      -0.75319980      -1.14718584 
Hf      -0.14925924       0.18620303       8.91957604       0.63656367      -0.11200743       0.57574926 
Hf       2.57728980       5.07923655       6.77769431      -0.71401338      -1.07128189       0.19311355 
Hf       8.60909668       4.94790633       1.57400211      -0.12606987       0.52147015      -1.13094660 
Hf       2.21734066       8.03053261       9.40996733      -1.65401380      -0.31577103      -0.47777292 
O       8.90197654       3.50657017       6.00248641      -0.59948020       0.50136984       0.40807383 
O       3.73685057       1.58465387       9.76301474       0.60354959       0.40980482       0.32562995 
O       6.17786137       3.89512992       7.73547693      -0.06509087       0.32116198      -0.43525307 
O       8.58551396       4.27651527       8.60473049      -0.72556632       0.06561888      -0.07711559 
O       4.21164054       0.98206495       7.08882329       0.23500483      -0.22555589       0.35767735 
O       6.49833576       3.86901422       4.99920171       0.47173870      -0.14704977       0.88335277 
O       6.58936819       1.39118023       7.88795477      -0.20827319      -0.22598795       0.84895648 
O       9.40138536       9.41243971       3.40315793       0.35133641       0.75554597       0.08633825 
O       5.65228126       3.95751876      10.34831295       0.34214951      -0.50012625      -0.03132055 
O       6.55988271       6.57119277       8.05738255       0.25090724      -0.28745910      -0.44948479 
O       6.14866418       9.07803803       7.75237227      -0.52301031      -0.12370283       0.40898213 
O       3.79035411       6.79810498       9.83466654       0.42509545       0.20261099      -0.53012408 
O       8.86528072       8.68454435       6.00417638       0.35970484       0.24476232       0.73507837 
O       8.48170065       9.43361066       8.63549877      -0.56158624      -0.12376128       0.28764525 
O       4.20344896       6.18913496       7.15104713       0.70526754       0.04220584      -0.03487540 
O       7.04270956       1.22262699       5.35556374      -0.44985698       0.31483729      -0.26173915 
O       6.56591810       9.10392181       5.18875124      -0.37321612       0.26184104      -0.41942900 
O       7.45498476       6.59053077       2.73730585       0.28932725      -0.76004038       0.09642195 
O       7.09611902       9.03111348       2.57446236      -0.71780579       0.75210795      -0.81746291 
O       4.70087181       6.83135548       4.42832942      -0.07464589      -0.12873792       0.23548947 
O       9.80070785       8.66900919       0.90776581      -0.76452518       0.42175096      -1.01573181 
O       8.04856438       1.32722277       0.07962205      -0.98273256      -0.59324022       0.31784243 
O       5.15482551       6.07660349       1.78911919       0.02557461       0.64061429       0.26448933 
O       8.03893583       6.46224855       0.14329865      -0.77376534       0.41455410       0.07619694 
O       7.46139636       1.36694133       2.77432462       0.00737791      -0.61973567      -0.67295740 
O       0.57063604       9.05337999      10.38824898       0.22192407       0.60872986      -0.03687315 
O       4.54773642       1.58518543       4.49880231       0.45945730       0.21254227       0.14396616 
O       1.79482749       1.22983619       5.34901663       1.15208715       0.29774763       0.07303053 
O       1.40885418       1.20539209       7.97414504       0.89400351       0.94806349      -0.36202093 
O       0.96619625       3.75955838       7.68626930       0.61753342       0.79271501       0.88839462 
O      -1.37114947       1.67337649       9.63954235       0.45178455      -0.06336473       0.70531841 
O       3.86472645       3.59459374       5.96383323      -0.88995685       0.26869688      -0.34785701 
O       3.29046396       4.29952354       8.57347087       0.36986585      -0.51329577       0.70570219 
O      -0.91052650       0.87939511       7.07960703      -0.04703971       0.15913748      -0.15193826 
O       1.43438476       4.03977883       5.14322395       0.50365188      -1.19065410      -0.42846098 
O       0.99466502       1.21761523      10.47708687      -0.07494791       0.01030512       1.79714408 
O       2.35192568       1.26594423       2.68471945       0.39000357       0.38505797       0.48901657 
O       1.90640700       3.78064715       2.45423885      -0.29130261       0.39543061       0.73338630 
O      -0.48119143       1.68021144       4.49193525       0.79732549      -0.70767491      -0.32965046 
O       4.77540035       3.61843417       0.71376551      -0.31016725      -0.88136800      -0.44114114 
O       4.24033427       4.24450090       3.31090651      -0.29910363      -0.15522439       0.17289708 
O      -0.04286678       0.95255402       1.90666043      -0.01004448      -0.06390395      -0.19252855 
O       0.56845095       3.85137025      10.37517092       0.03577191       0.71048860       0.09537933 
O       0.07077721       6.02726133       1.79112921      -0.48824316       0.01982793       0.37332258 
O       4.38279083       9.35310665       3.37808694      -1.46812174      -0.06581506      -0.36884671 
O       4.78260695       8.82132147       0.75056954       0.08602092      -0.70317555      -0.14259038 
O       9.81861702       3.58978636       0.66693206       0.52681331      -0.62350326       0.75523125 
O       9.35045616       4.22701600       3.39411693       0.07572149       0.13452014      -0.05971723 
O       5.15446898       0.98650233       1.84792593      -0.28920776      -0.50490909       0.45208716 
O       6.97634111       6.41676638       5.35576724       0.57856961      -0.19656321       0.45891710 
O       1.89177143       6.51612400       5.34383910       0.10469869      -0.05810800       0.02232791 
O       1.49364506       6.51628505       8.00402540       0.24044177       0.00179662      -0.01353799 
O       1.02797539       9.03573352       7.72228736       0.19434639       0.10099752       0.19739732 
O       7.00171553       3.90223480       2.44284593       0.19190662      -0.53622730       0.04512152 
O      -1.26349247       6.96508845       9.63891925      -0.49384753      -0.01564719       0.94553841 
O       3.38496447       9.45620509       8.71135290       0.45256875       0.73922347      -1.13428791 
O      -0.81548999       6.09448425       7.19509750      -0.81040911       0.24172970      -1.29333606 
O       1.34921526       9.09308931       5.10655927       0.95914550       0.33724682      -0.27288768 
O       2.86118602       6.51019322       0.10107065      -0.24182834      -0.92331518       0.60554384 
O       2.27666176       6.45113675       2.75261508       0.75484016       0.16072185      -0.12890699 
O       1.96578413       9.00403564       2.48901007       0.01552405       0.26658409       0.40459575 
O      -0.48493645       6.84817737       4.58225193      -0.07521515      -0.95441493      -1.42570674 
O       3.74523357       8.59763805       5.99151036      -0.17979227       1.05638193       0.34887847 
O       5.60926749       9.16839869      10.31264834       0.68163648      -0.31951915       1.55607121 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01048230805016625 0.0028819018640369866 -0.003553629329054307 0.0028819018640369866 -0.007736713605152114 0.00016256567885127886 -0.003553629329054307 0.00016256567885127886 -0.012351851514422" pbc="T T T" energy=-972.38502584 free_energy=-972.38502584 config_type=crystal 
Hf       0.71999933       0.24158403       3.79613970       0.95222354      -0.62090830      -0.35058967 
Hf      -0.15758434       5.34325416       8.93217454       0.87875781       1.01521419       0.79851831 
Hf       0.23714518       7.57472428       6.45683066       0.85918024      -1.02245911      -2.11796379 
Hf       5.94947629       5.40212485       3.68934791      -1.19227852       0.13771326      -0.11323824 
Hf       8.55904916      10.14249303       1.46833157       0.87038840       0.27290904       1.26862252 
Hf       8.13079655       8.00574989       4.06689456       1.37670379       0.19289105       0.68121750 
Hf       6.39866916       7.53727142       1.10209111      -0.17708659       0.16695653      -0.36451092 
Hf       1.24720051       7.55561122       1.16025616      -0.83273179       0.57731456      -0.22675259 
Hf       3.06565216       8.03255176       4.20540914      -1.29046440      -0.20548287       0.63713492 
Hf       3.45420786      10.11851306       1.66408190       0.03797157       0.31061644      -1.53681074 
Hf       0.80200054       5.35274071       3.71231584      -0.53894896       1.89506317      -0.34879657 
Hf       5.55381554       2.39294777       6.35580737      -1.02110560      -0.43652891       0.28429190 
Hf       2.52907253      10.18141466       6.82465629       0.46031076      -0.09194110       0.05509939 
Hf       5.87073456       0.25439298       3.74422008       1.66814849      -0.17352340      -0.69401239 
Hf       5.11650382       5.42701844       8.97524174      -1.17751338       0.94000065      -0.27231481 
Hf       7.72607268      10.14423320       6.77556437       0.01383511      -0.08224797       0.03388273 
Hf       7.29348658       2.82096331       9.31276215       0.18423799      -0.17843903       0.57286621 
Hf       2.10376523       2.88181366       9.31990517       0.39214115      -0.28653456       0.69378239 
Hf       3.43856120       4.98280630       1.49508884       0.05435894      -1.15889749       0.85236275 
Hf       3.02859199       2.74488952       4.18945266      -0.59441415       1.42446234      -1.11553482 
Hf       1.19527753       2.31459653       1.08664234       0.27389723      -0.33155482       0.65358943 
Hf       5.01516640       0.26469361       9.03443784      -0.87553707      -0.60578435      -0.35790074 
Hf       7.70648560       5.00352901       6.72644316      -0.63122871      -0.00667462      -0.59106464 
Hf       0.28441571       2.41119895       6.36204482       0.18288733      -0.02794049       0.29834363 
Hf       8.20620775       2.80539366       4.12161773      -0.28717216      -0.04306543      -0.31741486 
Hf       6.32885107       2.47119657       1.06613322       0.10585708      -1.48407004       0.22295684 
Hf       5.55898047       7.63655443       6.34529933      -0.77089604      -0.14059151      -0.74325491 
Hf       7.29874976       8.00844970       9.35147581       0.02514615       0.38158731       0.92835610 
Hf      -0.13702501       0.26015408       8.98892589       1.16713619      -1.09506754       0.29156835 
Hf       2.68598893       5.02704017       6.73682572      -0.57907197       0.52833836      -0.50034098 
Hf       8.58904540       4.92826899       1.47202693       1.17080084       0.60113028      -0.02855740 
Hf       2.08723945       7.95423927       9.48905952       0.73365527       0.08778499      -0.48412614 
O       8.94827437       3.60209522       6.02491619       0.51974582      -0.96872417      -0.47729533 
O       3.87208975       1.83237129       9.67704341      -0.27258174      -0.56436453       0.14677245 
O       6.16388809       3.92339755       7.77398289      -0.07918126      -0.64424559      -1.02082829 
O       8.55672219       4.26735061       8.52021149      -1.63060303      -1.46365959       0.85040019 
O       4.19560458       1.04095589       7.22635638       0.27930786      -0.25538057      -0.92602538 
O       6.71922535       3.90533433       5.03425140      -1.47343146       0.32786409       0.54683876 
O       6.51757904       1.33570488       8.07431800       0.78039125      -0.00458565      -1.17707414 
O       9.47249996       9.41570787       3.50869438      -1.65243889      -0.24914319      -0.36990496 
O       5.69657220       3.89283927      10.28855916      -0.04910018       0.26423426       0.48112003 
O       6.65494988       6.52167449       8.00451809       0.09667247       0.17108106      -0.38313346 
O       6.12053505       9.03262329       7.78890653       0.59727809       0.74958897      -0.36535512 
O       3.86009965       6.92856947       9.73408007      -0.17009640      -0.64719052      -0.30292824 
O       8.88869342       8.66027449       6.02200584      -0.39447550       0.35655144       0.51709227 
O       8.54029422       9.51551258       8.63539114      -1.44189121      -0.87494546       0.31267906 
O       4.32599787       6.24287139       7.08249553      -0.39653299      -0.85024244       0.25776488 
O       7.12169201       1.24928973       5.41141677      -0.59679710       0.48015593       0.18724139 
O       6.63829142       9.17291898       5.05894353      -0.26565693      -0.40699105       0.73573101 
O       7.49965302       6.56480253       2.69453603      -0.09181239      -0.50071948      -0.03857636 
O       7.05596614       9.10721419       2.46246932       0.01635410      -0.30846624       0.18200671 
O       4.73734814       6.92172185       4.49628763       0.34900062      -0.48436098      -0.52385930 
O       9.81743625       8.68074056       0.93383383       0.12141667      -0.33410738      -1.21415547 
O       7.98582427       1.22888579       0.09424233      -0.55644135       0.10620551       0.30016474 
O       5.22636687       5.92703675       1.77224108       0.35101819       1.07240694      -0.09358913 
O       7.94845513       6.45657690       0.08831748       0.56759508      -0.72306562       0.04393997 
O       7.42915374       1.41469638       2.76937506       0.34889293      -0.33075090      -0.15206743 
O       0.59101257       9.01586053      10.46721559      -0.30178406       0.53388353       0.05942947 
O       4.72121284       1.70727878       4.46305801       0.33432695      -0.14742317       0.76977979 
O       1.87822444       1.33076897       5.41968640       0.48282572       0.25840307       0.22287552 
O       1.41261493       1.33624684       8.01811309       0.16059058       0.25510563      -0.02222929 
O       0.98506993       3.87861828       7.73531606       0.37904512      -0.32988433      -0.44276881 
O      -1.28784225       1.69259054       9.68632089      -1.19559694       0.51806715      -0.00696403 
O       3.90286398       3.54417567       5.96084918      -0.22265790       0.25436871       0.48128728 
O       3.34664197       4.39959361       8.57275158      -0.07006668      -0.92022666       0.93797929 
O      -0.95869420       0.95572596       7.15067289       0.63874646       0.63840210      -0.76408904 
O       1.53139713       4.01321531       5.04546162      -0.05481572      -1.10752427       1.28661929 
O       2.67265221       1.17517524       0.15013233       1.11884401      -0.13183676       0.17885394 
O       2.29988770       1.25706812       2.74556960       0.86651455       0.64729547       0.63550706 
O       1.93324840       3.79715120       2.43948270      -0.73221620       0.02537835       0.30814458 
O      -0.37329220       1.79649017       4.47031202      -0.36081938      -0.01695471       0.55819537 
O       4.60066721       3.42634088       0.76389005      -0.15492413       0.57284151      -0.11321729 
O       4.12840237       4.39461323       3.39780851       0.70251852      -0.66957968       0.79139839 
O      -0.03381921       0.83585739       1.99820212      -0.10279944       1.27136234      -2.01744671 
O       0.51538613       3.84946738      10.37508041       0.06090751       0.28374846      -0.80713478 
O      -0.00863476       6.09902596       1.86120361      -0.20801208      -0.60792071      -0.67154326 
O       4.34335472       9.37905247       3.39496149      -0.27789475       0.49707560       0.03406283 
O       4.74792423       8.64229387       0.86522280      -1.17941651       0.35613317      -0.29871786 
O       9.78415219       3.40196203       0.64196534      -0.25461410       1.20968866       1.27736273 
O       9.34092730       4.26357426       3.34653258       0.46008079       0.08143333      -0.27292278 
O       5.15845146       0.92012237       1.90042392      -0.39757485       0.13608134      -0.72379692 
O       7.05622030       6.47651630       5.28277778      -0.05176867      -0.16719609       0.67871067 
O       1.95981290       6.51029432       5.37753075      -0.36160298       0.32057638       0.37220846 
O       1.44920393       6.37944278       8.02838372      -0.14844528       1.54946987       0.00755282 
O       0.88144716       9.04047056       7.74705551       0.71132347       0.01653772       0.48332799 
O       7.02853153       3.92564414       2.39510187      -0.22419165      -0.05937238       0.44391042 
O      -1.33162347       6.95487074       9.60152131       1.03347614      -0.78919094       0.80892098 
O       3.24304049       9.45447978       8.71300947       0.25500297       0.52441919      -0.12074490 
O      -0.98599152       6.06501551       7.06604531       1.84052389       1.47810335       0.28889709 
O       1.47042084       9.23926559       5.16018282       0.30145154      -1.00026234       1.03629334 
O       2.70514388       6.33880166       0.16502436       0.26882644       0.95387172      -0.83432052 
O       2.30964580       6.58181664       2.71185328       0.56773843      -0.55748031       0.59001406 
O       1.92299699       9.08358884       2.64978862       0.03339450      -0.68082347      -0.89751787 
O      -0.46680182       6.81714104       4.47849597       0.46950686      -0.08929376       0.25448631 
O       3.88805582       8.86684364       6.03263916      -0.18713316      -0.35047414      -0.13101067 
O       5.76142868       9.05072911      10.35929855      -0.65814540       0.81032511       0.02867210 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0028810070063905904 -0.004600334023298713 -0.0026010545191448103 -0.004600334023298713 -0.006034619207695283 0.002928761803837202 -0.0026010545191448103 0.002928761803837202 -0.009608881936070754" pbc="T T T" energy=-972.64758964 free_energy=-972.64758964 config_type=crystal 
Hf       0.77062497       0.31265843       3.75605330      -0.09849635      -2.26722057      -0.49272238 
Hf      -0.13302873       5.30414270       9.00589358      -0.31515327       1.27273099       0.45301667 
Hf       0.32037948       7.48261711       6.55639710      -0.54553487       1.53292460      -3.07638338 
Hf       5.98020598       5.38552365       3.64390799      -1.26639926       0.70759368       1.05952090 
Hf       8.70073934      10.18209845       1.51560688      -0.77197002      -1.19595741       0.01203617 
Hf       8.19025903       7.96619008       4.12260121      -0.43527371       1.28130106       1.15364680 
Hf       6.37839375       7.57260715       1.08139866       0.50836942       0.47051594       0.26844979 
Hf       1.18410950       7.61445448       1.05649316       1.48067548      -0.19918013      -0.11683046 
Hf       2.93219167       8.00134793       4.09716270       0.81172603       0.52111392       0.74712917 
Hf       3.52449323      10.16913105       1.60093033      -0.93051183       0.31781194      -0.67321018 
Hf       0.69027157       5.42660116       3.84976871       1.09983531       0.51511659      -1.37245534 
Hf       5.40741125       2.39334125       6.28011674       0.11550684       0.21995633       0.55177592 
Hf       2.58272957      10.16952037       6.72998595       0.74314049      -0.67693130       0.03971878 
Hf       5.96031383       0.21261267       3.71104769       0.09795273      -0.04458473      -0.00212925 
Hf       4.97519866       5.39978745       8.95701871       1.04520535       0.46623681      -0.45828750 
Hf       7.73087074      10.18978134       6.82361001      -0.26939662      -0.98443931      -1.03261775 
Hf       7.25122549       2.75198775       9.40566450      -1.07813426      -0.30832781       0.23681526 
Hf       2.20261828       2.86061995       9.44107615      -0.56447817      -0.85927429       0.64760483 
Hf       3.42259218       4.99711124       1.52921438      -0.00759866       0.25725206       0.98056007 
Hf       2.95406359       2.77410952       4.09965859       0.77697915       1.40669237       0.91332445 
Hf       1.22774627       2.36798197       1.10787315       0.27716689      -0.00035975       0.58037204 
Hf       5.04215410       0.26150202       8.96694355       0.38191816      -0.92511463       0.00206838 
Hf       7.70060446       4.92348540       6.83337020      -1.40710717       0.13082221      -0.99244117 
Hf       0.34763323       2.40938636       6.37224824      -0.26586868      -0.56740392      -0.46286686 
Hf       8.15382787       2.89930136       4.12978634       0.34051645      -1.37188631       1.22633834 
Hf       6.43205464       2.39644733       1.13662586      -0.28726576       0.29367805      -0.55773305 
Hf       5.45810803       7.52595036       6.26908682       0.48644249       0.13191236      -0.45875049 
Hf       7.24088771       8.02514857       9.34553437       0.00883334      -0.55538983      -0.62621687 
Hf      -0.04365483       0.27004232       8.99836035      -1.04797157      -0.31518787       0.21477650 
Hf       2.51446472       4.95686100       6.76607688       1.04664602       0.05263700      -0.13307277 
Hf       8.65454184       4.98503387       1.44905207       0.13706552       1.01863851       0.53967468 
Hf       2.17093340       8.07338105       9.37744870      -0.28165399      -0.64365622       1.04356870 
O       8.88920557       3.44856739       6.03467511       0.59032941       0.19873665       0.32487857 
O       3.88700360       1.77342849       9.72054313       0.53440775      -0.37596318       0.31050985 
O       5.91699170       3.81912200       7.78744947       1.41488372      -0.03019334      -0.27074524 
O       8.39010693       4.16948213       8.65646834       1.06876828       1.00451827      -0.21147926 
O       4.24746324       0.98727869       7.13580049      -0.44005433      -1.01835551      -0.15457217 
O       6.57212332       3.88277523       5.19376831      -0.21007815       0.23404176      -0.81234384 
O       6.62323101       1.28940292       8.05038034       0.06636115       0.37611880      -0.36081376 
O       9.37608252       9.45895145       3.38835294      -0.31006429       0.03122699      -0.05078488 
O       5.67379215       3.97774877      10.39646306       0.07235319      -0.47850487       0.15849614 
O       6.58167559       6.52606398       7.85035890       0.17356631      -0.33787590       1.15662922 
O       6.15119703       9.05900976       7.69427810      -0.50820429      -0.16533462      -0.10875664 
O       3.91473745       6.96216888       9.76151263      -1.29718694      -0.41395976      -1.36051577 
O       8.91986416       8.65614331       6.06135637      -0.18785540       0.08091716       0.38531188 
O       8.42009041       9.48711206       8.62141077       1.59854553       0.63398374       0.69109301 
O       4.25461772       6.02900129       7.05729927      -0.29606409       0.15846514      -0.04072902 
O       7.04854775       1.25553721       5.47662961      -0.29813496       0.30537180      -1.22231371 
O       6.52212169       9.13889264       5.06232325       0.92645579      -0.60007790       0.04449258 
O       7.54206801       6.61840960       2.70633207      -0.32493520      -0.83909708      -0.55584589 
O       6.99036045       9.12906030       2.35025838       0.30616789       0.54722378       0.86153572 
O       4.76425815       6.96006038       4.34603056       0.49489681      -0.78156502       0.20967562 
O       9.89837583       8.73235301       0.70322177      -1.08443488       0.66336495       0.05453372 
O       8.08390267       1.19910887       0.12612998      -1.40455043       0.69258309       0.08859565 
O       5.19935110       6.03311439       1.77308616       0.11096785      -0.03743292       0.27841296 
O       7.99814882       6.49945776       0.09196759       0.19606323      -0.84860460       0.19628762 
O       7.50831024       1.42143989       2.75245179      -0.11165434      -0.70524394       0.09730212 
O       0.52356280       9.18213777      10.32044177       0.69619332      -0.56078354      -0.17247536 
O       4.70690621       1.68483678       4.40996894       0.02920385      -0.03958140       0.16991245 
O       1.89605271       1.21397530       5.36004896       0.03697374       0.59275396       0.76849491 
O       1.53434561       1.31350415       8.08791888      -0.19998217       0.07714779      -0.40238211 
O       1.01565134       3.82911715       7.81430104      -0.58964634      -0.03869573      -0.28999106 
O      -1.31968045       1.65981498       9.79767350       0.23511080      -0.21057745      -0.83182320 
O       3.55056308       3.39278283       6.04300596       1.36229880      -0.25849238       0.22473732 
O       3.35209102       4.25286664       8.63101838      -0.40632158       0.54827905       0.35117339 
O      -0.83834682       0.91926964       7.08361867       0.54835112       0.15782751       0.35163163 
O       1.39319837       3.93441833       5.14824407      -0.79591541       0.20260699      -0.04599586 
O       2.80438164       1.28049969       0.26263591       0.06169802       0.07674404      -1.05073391 
O       2.30362562       1.35687418       2.81341220       0.37039341      -0.50541693      -0.82991132 
O       1.86964276       3.84248468       2.53866062      -0.23599699       0.35969885      -0.38300695 
O      -0.35474018       1.77006567       4.39015538      -1.14287858       1.16810993       0.88850768 
O       4.63825761       3.51879851       0.87686616       0.64010433      -0.26450816      -0.62309885 
O       4.18814447       4.29433338       3.52305729       0.57799576       0.43730530      -0.78077264 
O      -0.00136505       0.94808692       1.87941624       0.26823914       0.31902180      -0.15267830 
O       0.54742851       3.91408691      10.38960723      -0.14104270      -0.04825233       0.17970959 
O       0.10161703       6.16383750       1.89791712      -1.00596866      -0.91343202       0.04553681 
O       4.25151873       9.44773388       3.41667533      -0.08933023       0.79096861      -0.28710512 
O       4.64122898       8.72803116       0.79573423       0.29447855      -0.52091128      -0.52641908 
O       9.78237837       3.48723830       0.75438692       0.39227797       0.27203383       0.47076830 
O       9.28327642       4.40293503       3.43988236       0.77366433      -0.00713222      -0.11289197 
O       5.13251118       1.04974847       1.76538251       0.08759614      -1.23750928       1.09927363 
O       7.12077778       6.31924983       5.29396468      -0.57819108       0.71302331      -0.02375868 
O       1.97822658       6.49200511       5.41160305      -1.29588636      -0.20558197       0.33687369 
O       1.40907242       6.45832060       8.05007100       0.46085384       0.35637126       0.23201953 
O       1.10220806       9.04722145       7.74081679      -0.56774306      -0.13123983       0.07775103 
O       7.16091764       3.86794745       2.53591597      -1.35097259       0.61346211      -0.78201322 
O      -1.34737889       6.85136314       9.66724846       0.32347228      -0.43506254       0.07823970 
O       3.40635442       9.46114110       8.64285790      -0.20948179       0.36175922      -0.23449915 
O      -0.87425431       5.99100762       7.10830124      -0.02304959      -0.32449421       0.36088079 
O       1.34441492       9.13478608       5.04167469       0.92494541      -0.38323573       0.90299857 
O       2.78749123       6.45954884       0.08812291       0.07439225      -0.19326264       0.41212199 
O       2.41974665       6.53872528       2.80629302      -0.66036217      -0.40312643      -0.59578846 
O       1.83007165       9.15915247       2.41532715       0.55955356      -0.83143555       0.40047951 
O      -0.53170462       6.81754304       4.60309811       1.36765000      -0.32093954       0.01103478 
O       3.77062963       8.58915302       6.00772200      -1.16698982       1.41715192       0.48142564 
O       5.73612080       9.02217793      10.29292729      -0.61217107       1.39445185       0.38909093 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0014598344150298067 0.0024955981806821783 0.0030489555125082497 0.0024955981806821783 -0.0018602449326166075 -0.0011281173664221278 0.0030489555125082497 -0.0011281173664221278 -0.0003781096117215294" pbc="T T T" energy=-972.97551136 free_energy=-972.97551136 config_type=crystal 
Hf       0.78685319       0.16442487       3.68083992       0.93054217       1.91656276      -0.51393932 
Hf      -0.12345261       5.52308181       8.99461689      -0.02672708      -1.48217765      -1.25002420 
Hf       0.33067928       7.62599062       6.25476118       0.63438053      -1.72426441       1.36620480 
Hf       5.89728895       5.38122550       3.72594056       0.64869454       0.00098082       0.71064679 
Hf       8.50584448      10.18005177       1.51831110       2.39718892       0.22288344      -0.61504845 
Hf       8.16721122       8.09198393       4.20664590      -0.18554856      -1.40802501      -1.62648391 
Hf       6.40682721       7.55106069       1.11419335      -0.71826533       0.21032418       0.17672000 
Hf       1.24707920       7.57662238       1.00905855       0.05716652       1.31872764       0.41638247 
Hf       3.01431577       8.03369334       4.08259304       0.46081640      -0.16592296      -0.67858176 
Hf       3.47983429      10.20413481       1.46901757       0.47667168      -0.26829359       0.89048219 
Hf       0.80010694       5.43993316       3.69152878      -0.06019308      -0.00592432       0.59807970 
Hf       5.51821116       2.28650076       6.35109985      -0.48702515       2.12122563       0.62301519 
Hf       2.58683164      10.13881975       6.69052024      -0.62337341      -0.25722172       0.45390992 
Hf       5.94741868       0.24052858       3.73279671      -0.38652645      -0.32973744      -1.26080213 
Hf       5.05552576       5.42498495       8.99826049      -0.40328177      -0.87575059      -0.55893849 
Hf       7.69832823      10.12529875       6.71179285       0.02141851       0.99140103       1.96865769 
Hf       7.23200392       2.81157173       9.45871545       0.72724546       0.45055016      -0.29467088 
Hf       2.09770633       2.74879887       9.49510387       0.79736824       1.29147947      -1.21059471 
Hf       3.44961935       4.90639243       1.62646082       0.34971177       0.92585165      -1.15127752 
Hf       3.01253505       2.85026145       4.25207091      -0.53665963      -0.97745424      -0.04498796 
Hf       1.23611886       2.38057698       1.07472312      -0.61207767       0.11851825       0.92520479 
Hf       5.01664997       0.14671481       8.87781448       0.03110106       0.87965098       1.23201811 
Hf       7.62550291       5.00526762       6.85562524       0.53973710      -0.83342755      -0.41037904 
Hf       0.34184640       2.41207870       6.40171761       0.31951746       0.09204013      -0.10099924 
Hf       8.19954305       2.77413228       4.27209563       0.24599996       1.06104226      -0.35474024 
Hf       6.41762610       2.41450660       1.11556567       0.21378741      -0.41591803      -0.42713661 
Hf       5.41402323       7.51680098       6.22752372       0.56903095      -0.46189096       1.44793123 
Hf       7.24146183       8.04379364       9.35337694       0.30074426      -0.27148757       0.12805411 
Hf      -0.09542993       0.21084091       8.87382110      -0.48926607       0.39689955       0.58563707 
Hf       2.56139091       4.96355547       6.84449830       0.34569232      -0.22014753       0.52337733 
Hf       8.61038349       5.05109142       1.61270443       0.12363306      -1.34111648      -0.40985292 
Hf       2.15338883       7.99015031       9.40873235      -0.19577435       0.22677073       0.11135468 
O       8.88112275       3.41382806       6.16746131       0.04558019       0.42738296      -0.13405028 
O       3.83015141       1.65647065       9.68736002       0.57607767       0.04231458       0.01459033 
O       5.99120941       3.89152282       7.84327762       1.18893074      -1.12118525      -0.39880056 
O       8.44024820       4.40940486       8.73137437      -0.49414948      -0.72143264       0.52200308 
O       4.27445012       0.75893554       6.98929381       1.16440842       0.78861136      -0.04179822 
O       6.59384601       3.90178875       5.25832948      -0.22771912       0.02416759      -0.59568340 
O       6.62516973       1.32891898       8.03541596      -0.36305289       0.01283651      -0.90205164 
O       9.39383561       9.56318430       3.42679128      -1.47004406      -0.97483731      -0.00887176 
O       5.67140533       3.92084673      10.37068423      -0.01235355       0.20181745       1.12430596 
O       6.64755537       6.48964880       7.92551327      -0.70804592       1.14035088       1.19890750 
O       6.10515275       9.03729862       7.67819592       0.20825615      -0.01003850       0.06038258 
O       3.90200574       6.95668218       9.75527067      -0.52926437      -0.19337118      -0.51548133 
O       8.88254436       8.70135138       6.03333671       0.34728587       0.08542864      -0.23532307 
O       8.43645874       9.55030521       8.65364935      -0.00510660       0.07462723      -0.53648270 
O       4.35575402       5.96603620       7.04593659      -0.43774823       0.58861991       0.29051006 
O       7.14381232       1.27200541       5.44201023      -0.45955862      -0.80141486      -0.62485371 
O       6.52751811       9.04571382       5.07004916       0.31105855       1.28005094       0.32597430 
O       7.44642250       6.48345338       2.75478492       0.69570090       0.80259782       0.01159001 
O       7.06804223       9.06769002       2.52083304      -0.06177899      -0.48159248      -0.14757990 
O       4.66823922       6.90019171       4.43779538       0.56486811      -0.89406729      -0.60369430 
O       9.84734743       8.69571423       0.74104834      -1.22584562       0.64461638       0.43460364 
O       8.02520544       1.22262834       0.05033088      -0.64671999      -0.06594866       0.79258116 
O       5.11770106       6.15366603       1.92001875      -0.02557419      -0.79780485      -0.44830125 
O       8.03012570       6.46697645       0.12070118      -0.34578440      -0.22845362       0.16928508 
O       7.54895847       1.36329320       2.78261903      -0.04353812      -0.54658305      -0.25271185 
O       0.51747909       9.14365742      10.34046701       0.74505643       0.35021279      -0.32164512 
O       4.85717421       1.74779885       4.41199492      -0.65503959       0.13599042       0.35436213 
O       2.00431776       1.24543930       5.37319160      -0.50240667      -0.12372081       0.14168978 
O       1.50124968       1.37328710       7.96871992      -0.23021878      -0.75000656       0.15061222 
O       0.95934768       3.85448963       7.87135608       0.06731624       0.29573562      -0.39915761 
O      -1.22897201       1.76759725       9.72898833      -0.15193946      -0.32076065      -0.68574495 
O       3.82704019       3.49868487       6.03107152       0.00697832      -0.43916089       0.75687063 
O       3.30408036       4.30394939       8.78565273       0.04579188       0.55023018      -0.46998216 
O      -0.85615013       0.92601938       7.05177271      -0.45980170      -1.20543815       0.44628941 
O       1.43932703       3.95501979       5.28777973      -0.08332277       0.26242493      -1.09884239 
O       2.90948193       1.33407278       0.16414126      -0.59988883      -0.99219643      -0.05259736 
O       2.38982501       1.44785887       2.80991478      -0.06297152      -0.61383763      -0.94563275 
O       1.85223004       3.95389203       2.60983988       0.01141768      -0.25393090      -0.23606417 
O      -0.39964513       1.65329475       4.51214656       0.23838369       0.36055124      -0.19205014 
O       4.71013410       3.46557526       0.87838990      -0.21700401       0.20355934       0.20127977 
O       4.20962276       4.22962501       3.47773529       0.57737204       1.03874765      -0.81214280 
O       0.08126367       0.85042094       1.76509459      -0.36758129      -0.24466707       0.40615708 
O       0.55514208       3.90322978      10.42266097      -0.21996065       0.89862350       0.81949686 
O       0.06469858       6.09826289       1.76093447      -0.09476753      -0.42771735       0.77373843 
O       4.27077948       9.52178177       3.39248524      -0.34290171       0.17160233       0.04079691 
O       4.63521585       8.64620146       0.85337026       0.07522210      -0.01306046      -0.61422892 
O       9.73103661       3.42765484       0.93213463       0.10809393       0.23567645      -0.49984848 
O       9.37985878       4.35534363       3.51931981       0.36858396       0.37666939       0.07165703 
O       5.30944296       0.82198728       1.71194955      -0.30072419      -0.15815498       0.86443603 
O       7.01658205       6.44076433       5.35430651       0.19770034       0.05175431      -0.66989424 
O       2.01837411       6.50734150       5.42858197      -0.97797074      -0.46053069      -1.13335251 
O       1.49035847       6.55238769       7.95291601      -0.38351213      -0.08983794       0.18327174 
O       0.97167190       9.02530759       7.68628978       0.09491905       0.72119531       0.05415458 
O       7.08994605       3.83846187       2.64317672      -0.56087760       0.21261224      -0.77639325 
O      -1.31097184       7.03245019       9.63639890       0.52308975      -0.70228737       0.02851954 
O       3.28865787       9.51946484       8.65118318      -0.37564679      -0.56510256      -0.14345080 
O      -1.01383646       6.17473526       7.04797979       1.94411306       0.47419493       0.08544705 
O       1.49520999       9.08362666       5.02757114      -0.91659636       0.53978023       0.76229585 
O       2.80295038       6.47733744       0.03812153       0.18153941      -0.46082235       0.33922496 
O       2.43853608       6.62233931       2.60332185      -0.69209483      -0.63440060       0.96541485 
O       1.89833681       9.14436437       2.45246058       0.13945504      -0.46903073      -0.09919702 
O      -0.37012802       7.02366800       4.41184707       0.08868438      -0.56686590      -0.50133690 
O       3.75167381       8.59553131       5.95682840      -0.44162461       1.21558812       0.86479826 
O       5.66581394       9.04202526      10.32390833      -0.22523308       0.90516884       0.47475049 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007641961679534701 -0.001558595137128592 0.0004832434451661174 -0.001558595137128592 -0.002700776545996145 0.0010248658410582146 0.0004832434451661174 0.0010248658410582146 -0.009324074441019332" pbc="T T T" energy=-973.21157173 free_energy=-973.21157173 config_type=crystal 
Hf       0.78899239       0.12158100       3.78580167      -0.03694969       1.88335580      -0.16803054 
Hf      -0.06490800       5.42270594       8.96435326      -1.23945649      -0.70720654      -0.00842161 
Hf       0.33981867       7.61096054       6.45642891      -0.43085940      -0.04481357      -0.71865948 
Hf       5.88917012       5.47366484       3.70601465       0.85183536      -0.70262505      -0.11054842 
Hf       8.62135401      10.14652405       1.59410558       0.42036645       1.00002935      -0.86091701 
Hf       8.16494041       7.98023589       4.17324448       0.07950615       0.48419924       0.35207289 
Hf       6.33692445       7.64521412       1.11563781       0.72996282      -0.90496738      -0.51685882 
Hf       1.23544797       7.48108590       1.12300282      -0.33765502       1.69115231      -0.21111467 
Hf       2.97041832       8.01830812       4.23006651       1.25706290      -0.32123808       0.03043315 
Hf       3.42761131      10.12711664       1.58010967       0.55291980       0.79806762      -0.21960868 
Hf       0.70305574       5.39972988       3.71581432       0.95759317      -0.38278859      -0.04995658 
Hf       5.41869341       2.34843294       6.32321691       1.32744337       1.91723063      -0.83549059 
Hf       2.63340303      10.21321021       6.81947372      -0.98496072      -0.77562840      -0.44477616 
Hf       5.95924590       0.19313824       3.78335492      -0.17781492       0.77201349      -0.73176936 
Hf       5.00897554       5.45690903       8.91687413       0.60754555      -0.25874073       0.77925680 
Hf       7.72690465      10.18238335       6.80430426       0.29324445       0.29158587       0.51490442 
Hf       7.25099299       2.78771156       9.37189210      -0.31188380       1.31919640       0.83349094 
Hf       2.17538819       2.81037072       9.31873646      -0.94115749       0.42091072       1.32557939 
Hf       3.46334435       5.00335155       1.55350759      -0.25877446      -0.89367234      -0.73371842 
Hf       3.09475358       2.83868978       4.01816575      -1.25395469      -0.92590551       0.94775560 
Hf       1.27132120       2.37010409       1.06632486      -0.84224255      -0.34936493      -0.05800246 
Hf       5.06044824       0.22195240       8.97311443       0.33169978      -0.08990611       1.10642572 
Hf       7.72984547       4.94332078       6.73996130      -0.74584161      -0.05702529       0.85355929 
Hf       0.28914445       2.37373103       6.31958843       0.67673028       0.17646906      -0.42733827 
Hf       8.06944493       2.81304383       4.08722516       1.26834759      -0.02328948       0.32024644 
Hf       6.28855220       2.35231486       1.13223493       0.70046860       0.31679931      -0.45748201 
Hf       5.53116955       7.58777740       6.33195529      -0.36792411      -0.29735026       0.59560816 
Hf       7.28751124       8.00018817       9.42122878       0.08616826      -0.58203536       0.73519543 
Hf      -0.11182957       0.24481094       8.98787657       0.06708877       0.14131386       0.27527535 
Hf       2.60532969       4.99979464       6.67851051      -0.43303542      -0.01978376       0.80579709 
Hf       8.61646417       4.96822404       1.47238752      -0.90585339      -0.06632249      -0.31006648 
Hf       2.10954618       8.05916816       9.40761908       0.27022550       0.20950843      -0.03620760 
O       8.85045556       3.44776162       6.01851272       0.49872797       0.42043387      -0.24895890 
O       3.77163345       1.61933792       9.73899634       0.57816748       0.49504198      -0.08556155 
O       6.04543688       3.95303368       7.75813236       0.27987169      -1.55002306      -0.94599206 
O       8.43040804       4.24583418       8.60410854       0.71422414       0.31037231      -0.04189052 
O       4.34213246       0.89632350       7.03560506      -0.37005608      -0.43138760       0.65168791 
O       6.58777359       3.87988891       4.99744643      -0.67950488       0.78176523       1.01768109 
O       6.64486496       1.30024769       7.98771107      -0.34492497       0.27580362      -0.24178439 
O       9.38088325       9.46777541       3.43923227      -0.46716804      -0.63880076       0.03201174 
O       5.67486383       4.01293103      10.40907595      -0.11258203      -0.39593819      -0.68318992 
O       6.65201960       6.49138408       7.99154420      -0.38203037       0.27942742       0.08506303 
O       6.28135289       8.95372739       7.88283805      -1.18542779       1.31106816      -1.53675299 
O       3.81817831       6.91555978       9.71279853      -0.45408806       0.08474368      -0.09803393 
O       8.93985619       8.81264058       6.02612879       0.38676839      -0.84877473      -0.18787328 
O       8.57421124       9.39450346       8.65104878       0.07447393       0.81703751      -0.23907372 
O       4.29574684       6.12574533       7.02309193      -0.30776496      -0.17989991       0.55582123 
O       7.08158121       1.31492564       5.31896605      -0.48843233      -0.82978799       0.84879462 
O       6.53314718       9.14529129       5.23114598       0.62372657      -0.03964283      -0.24423842 
O       7.50367319       6.57145980       2.77336917      -0.10346299       0.20203683      -0.28353988 
O       7.03332801       9.13821124       2.60390779      -0.11733878      -0.90227163      -0.55942126 
O       4.72174986       6.89305970       4.49247655      -0.52859429       0.55529982      -0.10123904 
O       9.78171574       8.67192326       0.83694000       0.32283412      -0.22172938      -0.12092507 
O       7.94738842       1.31882626       0.13856730      -0.26028857      -0.50347006      -0.14838228 
O       5.10656133       6.11852303       1.85539563       0.99440725       0.83351552      -0.27665793 
O       7.91139129       6.54682348       0.16323023       0.27440726      -0.30687718      -0.20377252 
O       7.51379061       1.35941969       2.70535289      -0.47629797      -0.23370479       0.17883359 
O       0.49206174       9.13537833      10.36435490       0.52791476      -0.39534582       0.92046241 
O       4.71212653       1.68571570       4.43312535       0.21094034       0.24111992       0.69081364 
O       1.91547007       1.14367643       5.39261180      -0.16375220       1.11402345      -0.44823463 
O       1.53372022       1.36051878       7.96536089      -0.32918139       0.10431076       0.09939601 
O       0.95924174       3.96680851       7.69396213       0.27001130      -0.60191300      -0.51292904 
O      -1.38444619       1.67742507       9.75412610       0.60992689      -0.56838610       0.01064096 
O       3.80945733       3.61472785       5.92108220       0.49122846      -1.13768479       0.15997702 
O       3.29057357       4.30687831       8.61817848       0.47581629       0.33261421      -0.37629411 
O      -0.87062684       1.03935267       7.20873419      -0.81931704      -1.09494725      -0.13714402 
O       1.50053542       3.90168962       5.00557913      -0.41582123       0.61395070       0.49572823 
O       2.80460258       1.25532608       0.10607576      -0.07155970      -0.07847324      -0.07865575 
O       2.37287118       1.21585220       2.70190229      -0.03985747       0.89248564       0.62401890 
O       1.90583361       3.80638713       2.45614597       0.15064399       0.12838555       0.04885535 
O      -0.49231929       1.61365173       4.55950189       0.49481092      -0.14383022      -0.62726349 
O       4.63459496       3.47689310       0.77976284      -0.00800392       0.17976466      -0.12287720 
O       4.26387271       4.27763441       3.40203605       0.05734697       0.20618492      -0.54833972 
O       0.05671501       0.85754401       1.90698101      -0.23027239       0.37077173      -0.42551596 
O       0.52906814       3.93325970      10.34657163       0.38349431      -0.12614686      -0.26774902 
O       0.06103136       6.06760196       1.82417277       0.00984678      -0.07941687       0.59242373 
O       4.28601288       9.55354158       3.48776293      -1.32764436      -1.46615624      -0.32171999 
O       4.72935421       8.75661455       0.66973173      -0.82717064       0.48420657       1.35453957 
O       9.85788856       3.60425142       0.68693137       0.30698442      -0.70790555       0.39072476 
O       9.36565369       4.27983227       3.35048500       0.15775478      -0.11034451       0.40030322 
O       5.06930876       0.93808501       1.91632780       0.68489127      -0.00635566      -0.33944643 
O       7.00190014       6.43611197       5.30932977       0.85733008       0.22540487       0.63985445 
O       1.96694959       6.59359321       5.49936726      -0.50253840      -0.92906800      -0.60795690 
O       1.41244191       6.60079597       7.99314606       0.25602962      -0.51710260       0.74568939 
O       1.04537920       9.05806476       7.80783373      -0.12756536       0.67659860      -0.29043287 
O       7.04804924       3.92088694       2.48485499      -0.35078948      -0.54273449      -0.43747844 
O      -1.27737132       6.89719837       9.73609156      -0.28108920      -0.23392207       0.07033358 
O       3.33171889       9.60521034       8.72778506      -0.28953478      -0.77293794      -0.49522329 
O      -0.97301160       6.13613116       7.15919831       0.87921961       0.60025534      -0.74448971 
O       1.41442878       9.08553857       5.19294286      -0.00090860      -0.09148220       0.17775679 
O       2.73462085       6.46415652       0.20159244       1.22482099      -0.16256056      -0.87610329 
O       2.51040277       6.42270485       2.82496715      -1.59654557       0.54980386       0.30109071 
O       1.95158449       8.97388675       2.61726453      -0.45332582      -0.26893894      -0.70147726 
O      -0.38136203       6.90636645       4.49995465      -0.36371052      -0.05785969       0.08650368 
O       3.81280972       8.72733979       6.07016436       0.06582204       0.00239897       0.11641530 
O       5.63688508       9.14395759      10.36241775       0.33640217       0.17724327       0.72643457 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009481677720658948 0.001127303092900056 0.00048100445980493495 0.001127303092900056 -0.003476848936429069 -0.0022227008144843855 0.00048100445980493495 -0.0022227008144843855 0.0007586628741299881" pbc="T T T" energy=-972.80084712 free_energy=-972.80084712 config_type=crystal 
Hf       0.79586754       0.25293376       3.57679235      -0.16292899      -1.15955844       1.22517708 
Hf      -0.08837789       5.43954155       8.91339833       0.03045877       0.35023577       0.61824890 
Hf       0.38121578       7.58040455       6.14532818      -0.68497443       0.54600433       0.98756078 
Hf       5.97012652       5.37033688       3.79484046      -1.14025767      -0.40734830       0.00154065 
Hf       8.55291985      10.17165402       1.52079480      -0.07356004       0.54641211       0.31653754 
Hf       8.08873250       8.00759905       4.07759864       0.69068087       0.73328016       1.84491741 
Hf       6.32936409       7.54561150       1.09733046      -0.21282386      -0.31615188       0.84782657 
Hf       1.24525867       7.60705067       1.10027273      -0.50027828      -0.75972757      -0.04814957 
Hf       3.08280627       7.98597082       4.11854158       0.54601703       0.61567931       0.21714006 
Hf       3.48801643      10.17388606       1.43121841      -1.12898958       0.35274420       0.97555369 
Hf       0.88509439       5.40611119       3.63429135      -0.93652666      -0.27903711       1.23599486 
Hf       5.53498721       2.41848795       6.42314689       0.00655331      -0.86609460      -0.37489187 
Hf       2.51652515      10.18435272       6.80989750       0.72093562      -1.11215126      -1.20234237 
Hf       5.87231122       0.25965234       3.64899112       0.17530110      -0.46913716       1.15926613 
Hf       5.05550093       5.38598435       9.06715956      -0.44773899       0.50461130      -1.04902569 
Hf       7.65821152      10.18452759       6.80333401      -0.30657972      -1.18101717      -1.25302601 
Hf       7.31737489       2.87522933       9.43918846      -0.95788115      -0.85547088      -0.30641755 
Hf       2.08997313       2.80843553       9.39724818      -0.26622553      -0.57992320       0.48447824 
Hf       3.50196384       4.97532933       1.49406021      -0.16753821      -0.71536600       1.03312773 
Hf       3.05941148       2.78922751       4.27643310       0.22943069       0.38030594      -1.04237811 
Hf       1.19269633       2.40404367       1.09849561       0.75206344      -0.53228290      -0.37215459 
Hf       4.98183951       0.22964880       8.94593713       0.96125710      -0.49143522      -0.00862894 
Hf       7.78073840       5.03110714       6.78018442      -0.73169633       0.14499067       0.11581601 
Hf       0.36489325       2.36985212       6.37356984      -0.38157415       0.02737341      -1.32213875 
Hf       8.20097264       2.79693139       4.22398604      -0.79980338      -0.38361560      -0.77033157 
Hf       6.35055457       2.36670552       1.06516654       0.26715780       0.15333701      -0.09395341 
Hf       5.46566720       7.61663010       6.44360150      -0.35470982      -0.75114453      -1.77999009 
Hf       7.23747815       8.00815462       9.49497670       0.74367780      -0.30102793      -0.76171671 
Hf      -0.18772213       0.17497538       8.88566440       0.72033410       0.28354498       0.43917635 
Hf       2.57724785       4.97064965       6.87426294      -0.18564093       0.23777790      -1.16970903 
Hf       8.56805954       4.94640213       1.66885872      -0.09671303       0.52788404      -1.31383800 
Hf       2.08962214       7.97077958       9.40830330      -0.05883505      -0.06537236      -0.41916673 
O       8.89321600       3.38539969       6.06904615       0.03623104       0.88620254       0.41707758 
O       3.79762349       1.61037795       9.67832679      -0.73204475       1.04715493       0.38153673 
O       6.09340509       3.86059538       7.84071359       0.43301966       0.10626615      -0.11707073 
O       8.43805918       4.40818649       8.73120688       0.46776019       0.11785059      -0.69827636 
O       4.29298970       0.85825325       7.04764724      -0.16165383      -0.17751294       0.65934822 
O       6.56535680       3.93065226       5.22531648       0.54220408       0.50777892      -0.12351981 
O       6.62912711       1.30849623       8.01570185      -0.33486083       0.13111233      -0.17810720 
O       9.33945504       9.53152881       3.37581577      -0.14619869      -0.15508477      -0.01519749 
O       5.70562124       3.93577883      10.39392570      -0.49000841       0.27633116       0.68800605 
O       6.66120575       6.47741298       8.02718413      -0.50366957       0.14507483       0.20523310 
O       6.09290352       8.97213661       7.84144170       0.09946667       0.64517686       0.28580586 
O       3.76404149       6.85304564       9.78129154       0.36869428      -0.03170697      -0.35567422 
O       8.88249953       8.62197368       5.97670579       0.07306432       0.52632635       0.09134766 
O       8.47466424       9.48791855       8.61051452      -0.86615616      -0.74934082       0.81739483 
O       4.18981942       6.08967022       7.11306588       1.67216193       0.70022836       0.48627482 
O       7.09503058       1.33478524       5.43328277      -0.00065478      -0.35035318      -0.91486806 
O       6.54005122       9.12075513       5.18320451      -0.15846170       0.72745167      -0.14701570 
O       7.40745748       6.45917521       2.80368898       1.18696820       0.82162013      -0.90506662 
O       6.95575575       9.08513512       2.58615823       0.28923068      -0.75591592      -1.02405592 
O       4.85728970       6.90034237       4.43669545      -1.28982942       0.91173675       0.13365493 
O       9.78362414       8.67664284       0.86138242       0.36837842      -0.36627209      -0.55979890 
O       7.99879176       1.29516195       0.03621778      -0.73058350      -0.16662080       0.62349131 
O       5.24876315       5.87284689       1.77662980       0.24457596       1.41642033      -0.18266991 
O       7.86658013       6.54959343       0.14458172       1.01126584      -1.05398852      -0.04951505 
O       7.38572168       1.34706168       2.62971045       0.80488490      -0.14356425       0.78914713 
O       0.53413207       9.06718048      10.36786913       0.02837609       0.68863791      -0.22842685 
O       4.71734460       1.63532983       4.54051022      -0.15633980       0.71839516      -0.10759585 
O       1.88226887       1.24679876       5.36894485      -0.09166160       0.18871631      -0.31999080 
O       1.43387324       1.35450051       7.88048340      -0.12653403      -0.25405553       0.98735977 
O       0.94294275       3.88402799       7.76194030       0.08146743      -0.57438789       0.09765199 
O      -1.33612525       1.69677191       9.66845634       0.31752956       0.14372765      -0.07870340 
O       3.82549341       3.46295951       6.10525501      -0.62722118       0.28136095       0.34723686 
O       3.26466279       4.31744295       8.78408205       0.52103300       0.08976455      -0.27849241 
O      -0.96225913       0.83423058       6.99241993       1.97794176       0.96125644       0.39898498 
O       1.51641278       3.94007553       5.18898655      -0.62424687      -0.28226408      -0.00151579 
O       2.76744662       1.25977946       0.03419264       0.02510008      -0.45522977       0.11112216 
O       2.36961103       1.22311585       2.69017261      -0.05811509       1.17080611      -0.06544422 
O       1.88711205       3.76952475       2.56696998       0.14352052       0.41812745      -0.40883518 
O      -0.41136404       1.72680776       4.31462604       0.30180942       0.27585255       0.84928000 
O       4.57998824       3.41335260       0.82805094       0.52500613      -0.28030822      -0.45755505 
O       4.21792084       4.37302397       3.52253614      -1.07376650      -0.86519335      -0.28830256 
O      -0.05955438       0.93437692       1.74937143       0.69510041       0.08591087       0.19954080 
O       0.55511554       3.86627617      10.34392129      -0.66303306       1.16723004       0.15920604 
O       0.01468672       6.01397380       1.76869965       0.47831883       0.73665769      -0.01382605 
O       4.20325345       9.57506643       3.38059301      -0.55192458      -0.97255319      -0.25371522 
O       4.73779802       8.72426302       0.83929370      -0.60226487      -0.23184647      -0.65262636 
O       9.78387187       3.54393721       0.81090705       0.47528417      -0.63266738      -0.06145565 
O       9.39075717       4.33958935       3.40501937      -0.74657132      -0.83860028       0.92695307 
O       5.05882485       0.97517026       1.79259079       0.64656658      -0.15086611       0.20119301 
O       7.10767179       6.54120877       5.37700867       0.03996082      -1.13068451       0.87201438 
O       1.94298679       6.43017548       5.37633883       0.26360944      -0.17144482      -0.97977627 
O       1.53401725       6.55785828       7.96319377      -0.49928458      -0.78430226       0.43527264 
O       0.96541874       8.94763743       7.70044477      -0.05657902       1.41230652       0.18657567 
O       6.91036932       3.79738218       2.53494677       1.17540355       0.26271659       0.36360737 
O      -1.23537085       6.95674338       9.67929914      -0.45745315       0.09560650      -0.05296069 
O       3.27034026       9.42772944       8.66369820       0.59324640       0.68987784      -0.11081915 
O      -0.76559556       6.05076917       6.97243228      -0.24145156      -0.44381480       0.44121351 
O       1.59324825       9.10328520       5.06249598      -1.74479695       0.62558599       0.01630973 
O       2.86658329       6.49241875       0.17332140      -0.21608242      -0.61377634      -0.48909910 
O       2.32959172       6.50194270       2.70294510       0.76910647       0.40896007      -0.11321205 
O       1.84437539       9.04474731       2.49141134       0.51063920      -0.22307275      -0.51340975 
O      -0.40038125       6.92420306       4.33460624       0.30928755      -0.28924422      -0.40265693 
O       3.72952097       8.70189801       5.95114685       1.31931101      -0.42812309       1.24019729 
O       5.73914412       9.15277033      10.44779475      -1.01424755       0.12675277      -0.35166966 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00062833784798166 0.003970379306136484 -0.0003047252803852673 0.003970379306136484 -9.681528739481155e-05 -0.001821125169423019 -0.0003047252803852673 -0.001821125169423019 0.0006149974148967435" pbc="T T T" energy=-973.34195592 free_energy=-973.34195592 config_type=crystal 
Hf       0.77444834       0.23123239       3.70013033       0.92669946      -0.03450735       0.82681746 
Hf      -0.06717250       5.42300903       9.02730984      -0.71975279      -0.51676980      -0.93354313 
Hf       0.32915054       7.62902323       6.30694720      -0.19475563      -0.69442877       0.57579337 
Hf       5.96732633       5.38236874       3.69013871       0.01784081       0.56339891      -0.33833610 
Hf       8.60404654      10.16057370       1.54163720      -0.16975213       0.29324416      -0.88076730 
Hf       8.12271560       8.10983644       4.14276801       0.80391292      -1.65583663       0.20948678 
Hf       6.40824676       7.61210170       1.06281913      -0.04291897      -0.52743685      -0.14581661 
Hf       1.20881859       7.57562034       1.13803430      -0.03640497       0.37091374      -0.04666230 
Hf       2.99914622       7.97513997       4.18363954      -0.67483471       0.62826725      -0.55233132 
Hf       3.44848107      10.23167397       1.54944460      -0.41857613      -0.74019538      -0.01483718 
Hf       0.76035155       5.38569904       3.80943481      -0.30350901       0.44995718      -1.71406122 
Hf       5.58302714       2.49277971       6.32892146      -0.65171723      -1.94620507      -0.21746345 
Hf       2.61881379      10.12256008       6.80893103      -0.19574895       0.68002340       0.72554584 
Hf       5.88920169       0.22615028       3.67258635       0.26504661       0.01852237       0.76830464 
Hf       5.03300870       5.38994015       8.94441906       0.16125518      -0.13083441      -0.01517640 
Hf       7.60999619      10.07819341       6.76348135       0.86099948       1.89077295       1.15940907 
Hf       7.26266815       2.85290610       9.41111242       1.13455009      -0.41215171      -0.56881546 
Hf       2.10439032       2.78868877       9.37846242      -0.33564565      -0.56061885       0.33255041 
Hf       3.49734587       4.94436771       1.52330392      -0.28035441      -0.12452220       0.32882378 
Hf       3.03380115       2.82238606       4.19892377       0.11301342      -0.49971610      -0.00183379 
Hf       1.19381023       2.38359370       1.13155911       0.64070632       0.41271088      -0.62987552 
Hf       5.05845075       0.30643547       8.97370571      -0.44566158      -1.38254466      -0.64444624 
Hf       7.72471077       5.03707117       6.78572988       0.98809749      -0.38498291      -0.31105515 
Hf       0.29172430       2.35674601       6.31216589       0.44492620      -0.34571251       1.01572195 
Hf       8.21776110       2.75856814       4.10363726      -1.04393254       0.75650961       0.63009883 
Hf       6.39352198       2.39137936       1.03221633       0.26071487       0.05828820       1.04930689 
Hf       5.42985724       7.55730547       6.29916879       0.78841599      -0.72930296       0.54057729 
Hf       7.27960863       7.96616307       9.39470326      -0.39505735       0.40985588       0.16885485 
Hf      -0.16635423       0.21397712       8.92617702       0.74963770       0.01997802       0.35682332 
Hf       2.55145277       4.99658144       6.83220621       0.21419548      -1.02504175       0.10487122 
Hf       8.60671669       5.00550286       1.51845727       0.72845616      -0.13984506       0.34860600 
Hf       2.11051557       7.96357776       9.48869494       0.14045052       1.15389796      -0.84224970 
O       8.94385906       3.50124691       6.01808461      -0.49298054       0.00706082      -0.01830717 
O       3.84434652       1.72860123       9.81515235      -0.34993747      -0.83211265      -1.88182941 
O       6.21306848       3.85027792       7.75651664      -0.40384133       0.04261541       0.23059384 
O       8.49825275       4.35649675       8.65555153      -0.39258662      -0.43375659       0.47687942 
O       4.35350896       0.87445941       7.08746367      -0.01620720       0.18616413      -0.09021963 
O       6.64195001       3.96589656       5.17162835      -0.35833552      -0.74678415      -0.72831194 
O       6.69555350       1.32955487       7.94737758      -0.45568278       0.46838161       0.17896486 
O       9.32459805       9.65203504       3.47128300      -1.26880816      -1.17637027       0.07366356 
O       5.68567324       3.88532958      10.33017066      -0.12843016       0.39447898       0.33135754 
O       6.58489646       6.47920884       7.90700409       0.43904999       0.68702777       0.67506272 
O       6.14025654       8.99368649       7.78990871      -0.26201942      -0.07044816      -0.24920445 
O       3.83633668       6.85161126       9.70184148       0.37508147       0.15920212       0.17144307 
O       8.90768533       8.68463599       6.11504964      -0.04161304      -0.43898309      -0.63089090 
O       8.42250524       9.57312698       8.80248128      -0.46405138      -0.72369070      -0.68448465 
O       4.39448088       5.92764832       7.01206149      -1.01615690       0.23557949       0.07567461 
O       7.07606416       1.20092571       5.36180854      -0.07463859       0.32098049      -0.69335295 
O       6.59594996       9.07009537       5.23383214      -0.71540569       0.19891619      -1.37021823 
O       7.63441829       6.57364644       2.68840295      -0.94948945       0.11858676       0.19997735 
O       6.97045011       9.05286837       2.50884000       0.38100430       0.17189688       0.31705430 
O       4.69408892       6.94905186       4.41055928       0.88721828      -0.96662112      -0.19173812 
O       9.69808235       8.59669689       0.87610529       0.43757434       0.10169200      -0.00648135 
O       6.19018796       1.26048309      10.48520214       0.27845374      -0.19954773       1.27842288 
O       5.23119201       6.07629022       1.75889872      -0.14475302      -0.31199298       0.58786954 
O       8.08300535       6.38264372       0.08271888      -1.14820666       0.62769007      -0.60338514 
O       7.49695940       1.33611831       2.62518155       0.19770521       0.27475261       0.67875744 
O       0.53934561       9.07814817      10.44470454      -0.26524430       0.54151164      -0.39948263 
O       4.75412841       1.64704873       4.41880424      -0.56221791       1.37536323       0.69515154 
O       1.97085458       1.22223153       5.46951998      -0.48244550       0.34811099      -1.42719459 
O       1.53247270       1.22713305       7.99373357      -0.59670141       0.93564722       0.40586199 
O       0.92443842       3.82137534       7.82420656       0.66793801      -0.16120832      -0.66724533 
O      -1.33238617       1.69258285       9.75780372       0.53588477       0.16071579      -0.21313669 
O       3.79327197       3.49146403       6.08696372      -0.30142473      -0.22507008      -0.65857244 
O       3.35483424       4.21333874       8.64644511       0.13531964       0.40952156       0.19256926 
O      -0.87422793       0.80838836       6.98563561       0.35168617       0.15501799       0.84626467 
O       1.36098049       3.84613168       5.04263150       0.72994921       0.02071674       1.38595418 
O       2.84932012       1.23388373       0.11966225      -0.55318444       0.15290634       0.04137337 
O       2.37853200       1.35938385       2.72611444      -0.35795924       0.23887785       0.35659116 
O       1.87527424       3.95146236       2.54730323       0.51280112      -0.68984609      -0.36185170 
O      -0.43381548       1.73235098       4.45976250       0.90600280      -0.75277735      -0.31664913 
O       4.66244965       3.40974114       0.78600334      -0.62814804       1.02900893       0.28190710 
O       4.29110982       4.20803553       3.42185538       0.00142170       0.75337809      -0.20424505 
O      -0.02334772       0.92501537       1.83958689       0.27121933       0.00054947       0.01711842 
O       0.54972475       3.90783330      10.41363394       0.18618856      -0.04559993       0.00434811 
O       0.08745652       6.07824485       1.81844985      -0.62994437      -0.74122646       0.60251065 
O       4.16077035       9.53424722       3.58179672      -0.34689788      -0.04455589      -0.97934102 
O       4.60909965       8.66493848       0.84830027       0.80043751      -0.30639864       0.34625897 
O       9.82733351       3.51837864       0.81193023      -0.33436528      -0.06567956      -0.35763580 
O       9.41253310       4.19208965       3.39119094      -0.22271000       0.76776810      -0.18765719 
O       5.18178809       0.87496293       1.84384877      -0.33430389      -0.21905334      -0.25951034 
O       7.03104005       6.40228605       5.27023693       0.05011101       0.81626837       0.22308331 
O       1.88284889       6.37710673       5.42921799      -0.08015995       0.55443400      -0.67580546 
O       1.59667222       6.43073167       8.08361165      -0.50791459       0.42020509      -0.08049577 
O       1.04257345       9.00327892       7.77557153      -0.51233733      -0.40094273       0.13242142 
O       6.99409654       3.91479875       2.44150920       0.38231438      -0.02797358       0.56360617 
O      -1.32031967       6.92197101       9.67999943       0.52956630      -0.04469536       0.01749593 
O       3.32461072       9.50645900       8.72808212       0.18585812      -0.10477172       0.17088233 
O      -0.79330345       6.05018398       7.03126485       0.31931704       0.50848565       0.40066674 
O       1.36519525       9.09211501       5.10919187       0.37638220       0.04905294       0.40982424 
O       2.72610810       6.40308434       0.14599709       0.84710414       0.23861167       0.17586025 
O       2.39266238       6.58943106       2.73888126      -0.03830697      -0.31905349       0.48169168 
O       1.69322250       9.10712244       2.56571306       1.34488795      -0.21661138      -0.64384251 
O      -0.51647065       6.88237183       4.45304790       0.60356636       0.31657250      -0.00480063 
O       3.68789733       8.51978253       6.13521664      -0.20432390       0.29950345      -0.04270908 
O       5.68853464       9.08730607      10.35663214      -0.36916643       0.34071894       0.38628957 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013636218533192069 -0.003755713765811555 -0.0057226092810054325 -0.003755713765811555 -0.004828978253431771 0.0010607701347878763 -0.0057226092810054325 0.0010607701347878763 -0.01097460468573079" pbc="T T T" energy=-972.40036917 free_energy=-972.40036917 config_type=crystal 
Hf       0.86211962       0.23528242       3.66568012      -1.32860084      -0.21068828       0.45903779 
Hf      -0.16448275       5.32031997       8.87615286       0.42510471       1.85325513       1.11594275 
Hf       0.32192770       7.62447467       6.26931478      -0.53571043      -0.36662857       0.17230668 
Hf       5.87032244       5.37587075       3.84372090       1.85115865       1.18186780      -0.15358313 
Hf       8.54359890      10.12548619       1.46553327       1.24445571       0.42679449       1.12975527 
Hf       8.08115339       8.04230949       4.13419785       1.20742055       0.57491362       0.64065901 
Hf       6.36815182       7.50424296       1.08242593      -0.51119029       0.97431345      -0.15014404 
Hf       1.23449875       7.58646084       1.15793784       0.00777892      -0.01112048      -2.03053190 
Hf       2.98488988       7.99867326       4.15908245       0.47827015       0.66901615      -0.05209247 
Hf       3.50434763      10.13430963       1.54261355      -0.44862576       0.05795990      -0.78375635 
Hf       0.75352410       5.40568622       3.70132750       0.05941025      -0.10561825       0.30584832 
Hf       5.54092667       2.35493228       6.34984661       0.70748968       0.18596567       0.89659391 
Hf       2.55474850      10.14462460       6.81796542      -0.41050659       1.23784206      -0.50941590 
Hf       5.92973076       0.24085899       3.76849880       0.63427887      -1.06766417      -0.50813079 
Hf       5.03949963       5.36337445       9.04040029       0.49290079       1.27984071      -0.47765114 
Hf       7.77226019      10.18903968       6.81166150      -0.57017764       0.42039580      -0.11852969 
Hf       7.28843553       2.78125316       9.39510322      -1.51339855       0.51787464       0.73050598 
Hf       2.15203578       2.81044179       9.38147147      -0.21942702      -0.33880152       0.70704407 
Hf       3.53429665       5.04874945       1.54281054      -1.11593902      -1.03787348      -1.44257021 
Hf       3.12526289       2.82828265       4.11577195      -1.37129475      -0.05716860       0.30072911 
Hf       1.19301116       2.36994834       1.07797998       0.62310598       0.77784985       0.23284425 
Hf       4.97845823       0.25008101       8.96336012       1.17658666      -0.46684816       0.51199218 
Hf       7.66987502       5.01025621       6.78140921       0.44678379       0.19625927       0.01205883 
Hf       0.29765578       2.47903750       6.31031064       0.92458111      -1.24425270      -0.43804755 
Hf       8.21809094       2.75672708       4.10860530      -0.63207368      -0.12345609       0.60634263 
Hf       6.34703376       2.33753768       1.15134883       0.61482009       0.33622760      -0.70516951 
Hf       5.40465246       7.64665525       6.40519960       1.76970217      -0.10823099       0.41936991 
Hf       7.30694805       8.01823892       9.36818455      -0.02755569      -0.21714183       0.04946837 
Hf      -0.09222842       0.31159342       8.95894599       0.24242557      -1.02555502       0.33145240 
Hf       2.61355694       4.96984939       6.76057101       0.26489442       0.61360866       0.49909850 
Hf       8.57303009       4.95321338       1.59016072       0.37337278      -0.44566871      -0.66581225 
Hf       2.05903030       7.98481147       9.37306439      -0.10921337       0.01255835       0.79051443 
O       8.95117056       3.56856418       6.03444074       0.10345308      -0.35528668       0.05312986 
O       3.86761051       1.69364754       9.75155630      -0.63146771       0.36290328      -0.09518018 
O       6.20287498       3.80069907       7.75406958      -0.84828843       0.07519971      -0.17316448 
O       8.38370497       4.35551902       8.72766073       0.57538775      -0.32104719      -0.36277651 
O       4.28211074       0.97149469       7.12447739      -0.61064137      -0.38232001      -0.16254521 
O       6.65069512       3.92301570       5.16976492      -0.59341591       0.26395407      -0.52587165 
O       6.60348212       1.29616524       8.05151105       0.22587542       0.17471742      -0.36636899 
O       9.30059303       9.61378587       3.46342184      -0.19709246      -0.72456347      -0.67636728 
O       5.68954190       3.90864852      10.36780823      -0.06286735      -0.24361244       0.38754690 
O       6.62549294       6.40805256       8.04726597      -0.18193723       0.89047097       0.32400913 
O       6.13360988       9.02290068       7.76783858       0.40831762       0.39998677       0.23637169 
O       3.75462703       6.88044755       9.73927418       0.26952697      -0.34387411       0.24659969 
O       8.98343757       8.93520285       5.94905712       0.93209982      -1.96738907      -0.21200403 
O       8.51112980       9.51611096       8.61935308      -0.29397091      -0.45280338       0.63412482 
O       4.19927992       6.38637882       7.28155071      -1.34183121      -2.10786728      -0.57345306 
O       7.20431448       1.24189205       5.36702964      -0.72806336       0.78766367       0.15500059 
O       6.60160659       9.19865928       5.21053680      -0.36776794      -0.54004390      -1.02597566 
O       7.41318828       6.47264020       2.81700971       0.62771747       0.37884476       0.12239350 
O       7.02195995       9.05511569       2.44478287      -0.16960954      -0.60587921       0.48785076 
O       4.73300500       6.90959035       4.61601394      -0.28390356      -1.04984935      -1.48536423 
O       9.85152668       8.68763120       0.79226116      -0.74972344       0.19900123       0.01696018 
O       7.93788542       1.26388477       0.19496951       0.09571128      -0.49519038      -0.77335401 
O       5.25351157       6.01457447       1.87001129      -0.59691757      -0.05589537       0.32082876 
O       7.84561545       6.38576787       0.15738812       0.76671391       0.25572005       0.30563213 
O       7.38734136       1.32706577       2.68980814       1.07227084      -0.62208299       1.12024144 
O       0.48359699       9.16187628      10.42909930       0.30537072      -0.34269851      -0.50887768 
O       4.84851092       1.70871119       4.52576299      -1.20398885       0.33971365      -0.67997447 
O       1.86415397       1.14927555       5.33637770       0.78709642       0.74276754       0.23657262 
O       1.44931916       1.34010684       7.99216373       0.98458623       0.65140698      -0.41030730 
O       1.07483729       3.89124821       7.77736870      -0.21091341      -0.02747387      -0.78184791 
O      -1.33710510       1.74729628       9.73611802       0.61724036      -0.67271646      -0.16993423 
O       3.86853312       3.52968744       5.95799270      -0.06340568       0.66545396       0.59388529 
O       3.44171743       4.23807949       8.61158695      -0.87551709      -0.24139503      -0.32034073 
O      -0.81542360       1.02143398       7.14814309      -1.05840315      -0.16466699      -0.43155045 
O       1.52809468       3.90113499       5.13247335       0.02979274      -0.11880126      -0.16780688 
O       1.06701502       1.25438576      10.47355500      -0.19329807       0.04531232       1.46896630 
O       2.38214636       1.47620651       2.67672766       0.32934640      -0.87862240       0.31106836 
O       1.94878963       3.99039594       2.49451605      -0.07270420      -0.45230220       0.07055080 
O      -0.36328391       1.75406753       4.37772742       0.23041242       0.14995833       0.55366726 
O       4.64142038       3.39871932       0.84649207      -0.79909648       1.23195660      -0.28314861 
O       4.31557323       4.27321074       3.37549330      -0.70301202      -0.37116653       0.24238247 
O       0.07167732       0.88616886       1.86418168      -0.42212713      -0.39837262      -0.84058996 
O       0.49976419       3.89344544      10.31214925       0.40392372       0.22599974       0.16009348 
O       0.03964582       6.05922323       1.86887765      -0.59466187      -0.00510318      -0.49576127 
O       4.22309859       9.47996572       3.38802858       0.14917238      -0.15804899       0.64237467 
O       4.56521937       8.57937565       0.84444193       0.59975672       0.16367939      -0.18344962 
O       9.68724789       3.34796886       0.89483571       0.55548101       0.76214948      -0.06853417 
O       9.33543906       4.29136030       3.46941473       0.98387848       0.88314329      -0.14533902 
O       5.15265156       0.88109102       1.90151336      -0.48106245      -0.09733206      -0.40827026 
O       7.13585770       6.51936816       5.49514182      -0.99691275       0.40161456      -0.96213275 
O       1.87816025       6.38518290       5.32263086       0.64274327       0.56403217       0.31511986 
O       1.35726376       6.55717450       7.97535345       0.82564750      -0.03476564      -0.38470408 
O       0.92790707       9.08505553       7.69272989       0.78183111       0.15352438       0.45049314 
O       7.16907801       3.73648788       2.52501679      -1.36069065       0.94712453      -0.07106367 
O      -1.37404665       6.86359210       9.68075673       1.04854585      -0.35875305       0.39248577 
O       3.30554529       9.56021942       8.73433207      -0.88429689      -0.85056713      -0.45481860 
O      -0.85867920       6.11774719       6.94384202      -0.37570124      -0.64761972       0.97675510 
O       1.45438876       9.06622302       5.02870751       0.00201940      -0.20207829       1.03750356 
O       2.85731167       6.46451176       0.07509913      -0.61660249      -0.29436309       0.55666872 
O       2.30978569       6.64892351       2.69239401       1.07771552      -1.25158092       0.72886893 
O       1.92504022       9.04437596       2.56278393      -0.26503093       0.78302916      -0.63821530 
O      -0.42748686       6.92268015       4.43546520      -0.56707132       0.48867975      -0.41935119 
O       3.83011382       8.84324915       6.00170118      -0.55154569      -0.19030302      -0.07210139 
O       5.70002521       9.05244393      10.34122495      -0.13000869       0.53238637       0.29072426 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015289413197009747 -0.004526558149611966 -0.0020648678161013893 -0.004526558149611966 -0.004080520396518821 0.003357340532977025 -0.0020648678161013893 0.003357340532977025 -0.01318228334866987" pbc="T T T" energy=-973.18016503 free_energy=-973.18016503 config_type=crystal 
Hf       0.75558575       0.20844148       3.65693260      -0.60118193      -0.51135666       0.97651422 
Hf      -0.06065759       5.35766945       8.95018692      -0.63862287       0.04878528       0.13875676 
Hf       0.27556028       7.63161395       6.28958627       0.70412377      -0.44279580       0.41448893 
Hf       5.94450671       5.42700628       3.76901995       0.32735669       0.19249050      -0.39048142 
Hf       8.60218054      10.14031990       1.40993193      -0.08772882      -0.05641703       0.95425114 
Hf       8.11379351       8.04145614       4.08601623       0.17106399      -0.20342032       0.34610037 
Hf       6.37547342       7.54544027       1.09096511      -0.71483505      -0.23782159      -0.30439406 
Hf       1.28473099       7.54993054       1.10421055      -0.80024523       0.11287267       0.14250592 
Hf       3.01694749       8.06991786       4.18418788       0.19298023       0.02075247      -0.40460401 
Hf       3.43870614      10.18654549       1.48327201       1.29737284      -0.77479866       0.33434133 
Hf       0.81171492       5.43261610       3.76005287       0.41081634       0.02873173      -0.14627745 
Hf       5.50611658       2.43014815       6.41371085       0.86302470      -0.99402984      -0.31354622 
Hf       2.51814880      10.22779486       6.79813506       1.01669906      -0.32534879       0.16167889 
Hf       5.94145031       0.29290014       3.68156761      -1.24167546      -0.72554258       1.30771568 
Hf       5.01216992       5.36037290       8.98343955      -0.22977744       0.32970753       0.53436577 
Hf       7.63521743      10.13050336       6.72298658       0.04914487       1.33395837       0.44961739 
Hf       7.30384778       2.84599364       9.45067169      -0.27313687      -1.49528685      -1.21305706 
Hf       2.08993781       2.81726686       9.35668253      -0.49407156      -0.09356419       0.29908034 
Hf       3.47436469       4.94018676       1.58480668       0.17062048       0.42604807      -0.74570550 
Hf       3.00373950       2.81294429       4.22183531       0.79371635      -0.56656448      -0.29209996 
Hf       1.25078264       2.25918519       1.19194042      -0.30749525       2.06920794      -2.49830005 
Hf       4.97248580       0.22202534       9.05326035       0.37151592       0.62484173      -0.92581869 
Hf       7.74820052       5.02621581       6.80881395      -0.49580655      -0.84645773      -0.70734050 
Hf       0.29180928       2.35112507       6.36457053       0.15409775       0.00928266       0.20352706 
Hf       8.28886809       2.82360692       4.08878282      -2.24390019      -0.00847481       1.44118480 
Hf       6.31191017       2.41459824       1.15938167       0.94658481       0.26679414      -0.97509537 
Hf       5.47248844       7.56879911       6.35936675       0.40760282       1.15684162      -0.66345537 
Hf       7.29849667       7.95560788       9.40017879      -0.24615379       0.06181662      -0.43116966 
Hf      -0.15755259       0.13858410       8.93150565      -0.83190987       1.32094814       0.36821829 
Hf       2.67778078       5.01286272       6.77512734      -2.09465743       0.02379436      -0.52415464 
Hf       8.73244411       4.98912661       1.52957298      -1.64741310      -0.74163290      -0.44304680 
Hf       2.05127329       8.03926015       9.38550800       1.38851114      -1.52179270       0.35426345 
O       8.94263406       3.50198670       6.05273644      -0.25856320       0.42728452      -0.83985710 
O       3.75343131       1.70032435       9.78009783      -0.12376030      -0.25008826      -0.51145811 
O       6.09779509       3.91118282       7.77877189       0.06493518       0.12509611      -0.34002971 
O       8.52061664       4.12858136       8.53823952       0.67372741       1.48122290       0.30774929 
O       4.32655420       0.95166440       7.20354260      -1.20084596      -0.57253418      -0.30715793 
O       6.61327117       4.00369676       5.14443877       0.25572452      -0.35512732      -0.01855564 
O       6.64029748       1.38939362       8.03031404      -0.35852942      -0.61113362       0.29409899 
O       9.29871297       9.52290819       3.32202936       0.81696655       0.17981367       0.33289656 
O       5.68764547       3.82667502      10.30916802      -0.68615610       1.22281971       0.44246917 
O       6.52206880       6.43215493       7.94940903       0.74957309       1.14112318       0.65594976 
O       6.12192972       9.07433576       7.74586737      -0.13749060      -0.48761846       0.00226212 
O       3.75213407       6.86252263       9.71235509       0.66274510      -0.23843044       0.00605346 
O       8.85911900       8.71186875       5.96520734      -0.00369445       0.03289366      -0.27269088 
O       8.50936069       9.37743813       8.58648971      -0.41496250      -0.39749502       0.00537917 
O       4.23807840       6.20203192       7.03119838      -0.32736655      -0.86669196       0.88788922 
O       7.04105930       1.29793512       5.41301685       0.26534832      -0.27858824      -0.37260226 
O       6.47849994       9.14682126       5.05475842       0.73468347      -0.01629763       0.30286969 
O       7.54757992       6.47534043       2.77666940      -0.23634375       0.38469060      -0.35063255 
O       7.08388173       9.04943292       2.49208370      -0.78806620      -0.20062854      -0.81149231 
O       4.74886695       6.91142632       4.53192095      -0.76810439      -0.17692020      -0.81313953 
O       9.84483301       8.66871962       0.74732759       0.05690144       0.01436140      -0.03848830 
O       7.83815758       1.27706704       0.17045159       0.23876292      -0.69217863       0.11900019 
O       5.08944911       6.16652485       1.89795975       0.58037155      -0.19405548       0.21014309 
O       7.90021363       6.40680479       0.13794997       0.31242909      -0.07249453      -0.33142132 
O       7.42468346       1.33344853       2.79652894       1.04766280       0.46069018      -0.63640261 
O       0.59893784       9.12525059      10.42303700      -0.80153717      -0.17409451      -0.43494521 
O       4.71728568       1.68475553       4.52715568      -0.19131637       0.01102179      -0.21293367 
O       1.96003467       1.29135962       5.44774754      -0.15047599       0.42195339      -0.47191218 
O       1.31796656       1.27041029       7.96822082       1.25947140       0.31257269       0.58083389 
O       0.96286845       3.79664779       7.73485351       0.31636872       0.38565069      -0.21701302 
O      -1.37023165       1.58849765       9.72729448       0.16432927      -0.24547443       0.21859723 
O       3.80265122       3.48126804       6.10686223      -0.31868614       0.37735430      -0.31692330 
O       3.21465410       4.39552446       8.62881767       0.74936224      -0.68599913       0.72194814 
O      -0.92668659       0.89738207       7.05723060      -0.19931632      -0.58898748       0.03621096 
O       1.51688705       3.92972669       5.08596773      -0.52943474       0.58978005       0.45881059 
O       2.70439891       1.24431964       0.09979452       1.01832411      -0.17693207       0.48108674 
O       2.25279907       1.34927056       2.82120962       1.08759339      -0.05106751      -0.43225635 
O       1.96314408       3.81330624       2.46715573      -0.25325874       0.38980674       0.57616516 
O      -0.36710982       1.73912036       4.44408712       0.32982320      -0.56479769      -0.44396875 
O       4.66369796       3.54723821       0.69445787      -0.22202447       0.39759783       0.55178424 
O       4.30692585       4.22058015       3.43301319      -0.41505746       0.24239655      -0.32817394 
O       0.01527884       0.87190278       1.75633742      -0.80791815      -0.74010598       0.73826399 
O       0.48039955       3.84804775      10.31477964       0.48109558       0.61728664       0.39317139 
O       0.06471181       6.04452044       1.90183625       0.65274089       0.91158997      -0.58398614 
O       4.19254814       9.49198137       3.35362310       0.33218639       0.13623667      -0.13698512 
O       4.76863553       8.72948788       0.70347095      -0.95121833       0.81188875       0.66415139 
O       9.79134589       3.42917640       0.78172666       0.74044498       0.36901190       0.72650040 
O       9.42322445       4.25264834       3.37675148       1.13402858       0.81453806       0.36883308 
O       5.11142774       0.95437429       1.82472899      -0.31108087      -0.13157552       0.36845667 
O       7.08370378       6.51816393       5.33022394      -0.02331691       0.00462211       0.65600225 
O       1.89541040       6.50974602       5.40553729       0.25905675      -0.09309248      -0.34967621 
O       1.41542902       6.44431293       7.99852719       0.37526372       0.62068323       0.11910177 
O       1.00630504       8.98521103       7.76939109      -0.37793942       0.45689584      -0.38735947 
O       7.17797253       3.86093109       2.46880484      -0.93230677       0.02948550       0.10595467 
O      -1.39211844       6.77714463       9.76745103       0.61415813      -0.44495406       0.06681544 
O       3.26004104       9.49196672       8.71246145       0.58870561       0.70238071      -0.65571365 
O      -0.92074286       6.25292254       7.12822148      -0.60221684      -0.98183850       0.13173509 
O       1.32423910       9.24610926       5.14295472       0.54687558      -0.74792631      -0.13243108 
O       2.76460692       6.49217395       0.15515675       0.41252644      -0.92190598      -0.43175901 
O       2.34749358       6.57214224       2.71086328       0.20081224      -0.17617365       0.88494857 
O       1.88990785       9.15996322       2.46899123      -0.54407544      -1.02986464       0.14578501 
O      -0.32781420       6.94902568       4.40368434      -1.12846792       0.27192405      -0.05744174 
O       3.71612736       8.77548468       5.95280604       0.39297473       0.02927925       0.98418513 
O       5.75924941       9.06749666      10.34391919      -0.45119001       0.28281459       0.10168049 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0007512364581871197 -0.0006343371678289315 -0.002052113779040359 -0.0006343371678289315 -0.00030143993722667607 -0.0016554336928694248 -0.002052113779040359 -0.0016554336928694248 -0.000997872231590611" pbc="T T T" energy=-972.67510861 free_energy=-972.67510861 config_type=crystal 
Hf       0.75721719       0.18123938       3.68203016       0.98540539       1.24039329      -0.67352394 
Hf      -0.03939807       5.35652943       9.01435453      -0.88177355       0.13241300      -1.21550595 
Hf       0.26307478       7.63479307       6.33461257       0.62396481      -0.80444135       0.41333433 
Hf       5.98254916       5.40200557       3.76366948      -0.21199363       0.15003253       0.22546552 
Hf       8.55159294      10.10762019       1.48196752       1.04715623       1.01571164      -0.33040096 
Hf       8.16449259       8.02996738       4.10929161      -0.60064781       0.14131408       0.77769745 
Hf       6.37994578       7.52952587       1.10324639      -0.35919869       1.22300534       0.04007716 
Hf       1.26054466       7.52514916       1.01674813       0.14149711       1.13905086       0.73985819 
Hf       3.00905547       8.01579990       4.15988553       0.85552490      -0.00239353       0.00503009 
Hf       3.46064531      10.16596253       1.46664969       0.01532375       0.41387435       0.52526657 
Hf       0.82336701       5.47663023       3.71119774      -0.37747367      -1.17036767       1.08642359 
Hf       5.59740170       2.39151028       6.38794546      -0.76922640       1.22082856       0.21653666 
Hf       2.68092442      10.19434258       6.73101333      -1.55611929       0.27229334      -0.36859720 
Hf       5.92483551       0.30190666       3.72255622      -0.13787536      -1.54135598      -0.08065109 
Hf       4.92052717       5.36575258       9.07111849       1.31773018      -0.53336022      -1.17351950 
Hf       7.54119064      10.09790432       6.77857804       1.67724171       1.13427331      -0.31144050 
Hf       7.24607723       2.80273437       9.47420424       0.81251374       0.19448663      -0.82980370 
Hf       2.10785021       2.74598507       9.40374069      -0.08232359       0.91892058      -0.45294644 
Hf       3.50952508       4.98070517       1.59142426      -0.68440919       0.11444758      -0.15610217 
Hf       3.10106821       2.82088736       4.15094723      -1.15594064      -0.16238778       0.88144230 
Hf       1.22717883       2.43549240       1.08860007       0.38926329      -0.97278772       0.72830935 
Hf       4.94773433       0.26256609       9.02091340       1.31350309       0.05235400      -0.80634940 
Hf       7.68915814       5.01195409       6.78382277       0.95055314      -0.55579870       1.45547794 
Hf       0.32433325       2.37154813       6.34227390       0.32024713       0.21609904      -0.00695457 
Hf       8.16402235       2.78494598       4.16059138       0.38277720       0.77350546       0.63291571 
Hf       6.38467950       2.46193320       1.13451188      -0.06460583      -0.50734926       0.01288056 
Hf       5.44169495       7.51237939       6.39294857      -0.40471212      -0.51956055      -0.42410559 
Hf       7.26340657       7.96225704       9.37924367       0.26927382       0.67384722       0.14507365 
Hf      -0.12541291       0.22210721       8.88778163      -0.15177807       0.18287007       0.31244480 
Hf       2.54738219       5.00312587       6.71764325       0.48036044      -0.16552870       1.21606303 
Hf       8.65116090       5.01225489       1.53847222      -0.36131206      -0.58103055       0.85287217 
Hf       2.13142713       8.02205964       9.36622325      -1.05695593      -0.35939505      -0.21423415 
O       8.93453336       3.56966566       6.11559388       0.12698116      -0.94959262      -0.49600666 
O       3.91341730       1.82837549       9.72154174      -0.48392961      -0.42316677      -0.37192754 
O       6.19661987       3.85721719       7.90295265      -0.57638479      -0.36963475      -1.15228273 
O       8.39241207       4.39384227       8.80787113       1.13312361       0.22016298      -0.35143191 
O       4.37323471       0.88932107       6.94130372      -0.46430318      -0.71256975       1.11904816 
O       6.59432439       3.88271362       5.18312124       0.07645485       0.29569701      -0.09102139 
O       6.62581708       1.34363548       7.96386665      -0.18126148      -0.23484369       0.66620571 
O       9.33744095       9.48210550       3.36451704       0.40556304       0.27211429      -0.12880989 
O       5.70054106       3.90821244      10.49332078      -0.47513254       0.60099318      -0.13116520 
O       6.60324833       6.47819755       8.02524929       0.02882009       1.01407700       0.03040539 
O       6.04414704       9.09761023       7.72555251      -0.26872374      -1.11573185       0.47735279 
O       3.77797161       6.85130474       9.73629758       0.22509672       0.34882855       0.31464745 
O       8.87430218       8.74867834       5.95185490      -0.18905308      -0.06589597       0.41964174 
O       8.40414812       9.55175237       8.59041598      -0.13061599      -1.07345779       0.87830000 
O       4.28894790       6.00857324       7.21293705       0.21589002       1.08775850      -0.74807177 
O       7.16146766       1.24200884       5.43107912      -0.58751473       0.25034206      -0.89633573 
O       6.44449229       9.10934575       5.09662467       0.80364631      -0.21528512       0.38958189 
O       7.57394195       6.60591537       2.73494259      -0.72021196      -0.58114024      -0.15861402 
O       6.98190206       9.11335132       2.51259302       0.10347868      -0.62016958      -0.67899121 
O       4.64914376       6.66992385       4.59921468      -0.64365403       1.71305616      -0.04285306 
O       9.76835182       8.61870219       0.78413550      -0.26603224       0.05513414      -0.14568098 
O       7.96695362       1.26410151       0.07571877      -0.31038751      -0.38091562       0.84287914 
O       5.16270541       6.15180471       1.86970068       0.40134413      -0.47817279       0.54057489 
O       7.97072248       6.49929068       0.17440054      -0.09951206      -0.25983853      -0.43475639 
O       7.49137394       1.31440021       2.76514847       0.51314740       0.92541466      -0.48473545 
O       0.42807159       9.03480131      10.29918176       0.90514945       0.77738434      -0.14054954 
O       4.80735973       1.76939779       4.42169106      -0.03889265       0.57982215       0.41052625 
O       1.93288724       1.22849117       5.33967583       0.10505526       0.43781432      -0.32038492 
O       1.51221058       1.38409893       7.85827098       0.21618367      -0.00767149       1.33055031 
O       1.05824023       3.90726641       7.79755251      -0.56698714      -0.36313849       0.09224163 
O      -1.23502278       1.76074485       9.80686057      -0.77369556      -0.50879599      -2.16516578 
O       3.85535320       3.57204836       6.11615230       0.16276958      -1.08866342      -0.87549055 
O       3.37956336       4.21774100       8.65863996      -0.97667462      -0.23244789       0.50575234 
O      -0.83575613       0.88133488       7.09837703      -0.61590258       0.24734007      -0.53013791 
O       1.51473089       3.97873959       5.19700995      -0.34349204      -0.28955230      -1.10126271 
O       2.84506204       1.25943076       0.05588621       0.46718907      -0.79876590       0.06189571 
O       2.42035560       1.31068474       2.70921752      -0.23193792       0.47342494       0.24943781 
O       1.84711975       3.88824770       2.51273037       0.65072088       0.28704566       0.57150689 
O      -0.36955489       1.76428618       4.45543322      -0.15242265      -0.45097423      -0.44029648 
O       4.63950509       3.51896351       0.81869660       0.48153664      -0.24715463       0.00852359 
O       4.22081781       4.36103949       3.52445827      -0.13343330      -0.32384726      -1.06817029 
O       0.07917811       0.89500882       1.68504716      -1.14708515      -1.28656392       1.56371336 
O       0.48924129       3.85746188      10.41153277       0.83181722       1.06355365      -0.40649513 
O       0.06683080       6.07691281       1.92329084      -0.06017156       0.46398477      -1.21135377 
O       4.23974935       9.57034238       3.56359080      -0.92308459      -0.75299953      -1.06900188 
O       4.62759530       8.62906838       0.73209586       0.06838698       0.77193215       0.88973879 
O       9.76557077       3.48240733       0.81249548       0.27436825       0.36310479       0.81027232 
O       9.25247875       4.34083047       3.46290342       1.10792261       0.25986909      -0.15845777 
O       5.15357184       0.94326561       1.75966159       0.14446697      -0.48729980       0.47438142 
O       7.03165310       6.41074261       5.36078253       0.23984651       0.60032343       0.15560575 
O       1.82615553       6.53308844       5.37362968       0.69538951      -0.19240438      -0.73888231 
O       1.46530019       6.56841597       7.91449164       0.25838927       0.22262625       1.14871205 
O       1.03084732       9.14647797       7.66648809      -0.33898510      -0.47851586       0.31582550 
O       6.97518772       3.94698965       2.59195844       0.17731540      -0.94351234      -0.93911275 
O      -1.23341171       6.94299287       9.66295288      -0.47560221      -0.25467907       0.00331688 
O       3.24169131       9.57793623       8.74016084       0.74297762       0.66698285      -0.44072794 
O      -0.78383103       6.03926908       7.07793019      -0.86671071       0.27762881       0.16438462 
O       1.48257269       9.15622978       5.06237774      -0.34261908      -0.33218072      -0.16336087 
O       2.89545518       6.48039395       0.16500546      -0.42283923      -1.04659952      -0.73456709 
O       2.45790992       6.54011207       2.69371499      -0.81399156       0.33545134       0.88514766 
O       1.90865400       9.09265000       2.41988314      -0.09410477      -0.65662471       0.42772611 
O      -0.47499799       6.83401186       4.51187082      -0.27494424       0.74217172      -0.53083752 
O       3.70741794       8.57775923       6.12270645       0.36702788      -0.21655806      -0.18731877 
O       5.62904175       9.14495413      10.31346465       0.34241427      -0.34563779       0.54824327 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0027850923687626435 -0.005048198222965856 -0.0047276892145747635 -0.005048198222965856 -0.004002713787446124 0.0003580004180273207 -0.0047276892145747635 0.0003580004180273207 -0.004725706986174492" pbc="T T T" energy=-973.55098998 free_energy=-973.55098998 config_type=crystal 
Hf       0.77762889       0.27435949       3.69921741      -0.01567947      -0.65104422       0.23809438 
Hf      -0.11149696       5.39913753       8.90556658      -0.23937256      -0.39365156      -0.16806570 
Hf       0.33958485       7.56692241       6.27988583      -0.39230886      -0.36878825       0.35040023 
Hf       5.94549273       5.46965314       3.75861061       0.21484241      -0.81937825       0.01214053 
Hf       8.60309126      10.15020980       1.55244483       0.35612817       0.76299697      -0.63018998 
Hf       8.18000201       8.07231677       4.17044366       0.08934056      -0.76483875       0.32120136 
Hf       6.34621143       7.60025032       1.16275992      -0.05790525      -0.08276282      -0.95970133 
Hf       1.22814118       7.55218793       1.10584623       0.65756482       0.31223188      -0.02251624 
Hf       3.05552035       8.02785597       4.12014848      -0.79209403      -0.02260115       0.27991186 
Hf       3.41454099      10.15449455       1.57125988       0.23096896       0.41534099      -1.04728688 
Hf       0.79522681       5.34062209       3.73094577       0.89952699       1.26703170      -0.38307891 
Hf       5.48864832       2.37426633       6.39279484      -0.62748062      -0.78664702      -0.30013030 
Hf       2.54039793      10.13149501       6.77598607       0.44569165       0.39791830       0.49321506 
Hf       5.94732427       0.14269522       3.70849132      -0.75677277       2.15503332       0.36412808 
Hf       5.03662600       5.45790868       8.97235030      -0.43913756      -0.23784789       0.48129120 
Hf       7.62486506      10.14310128       6.82285869       0.46507665       0.52834312      -0.25323080 
Hf       7.19241437       2.77536228       9.45279816       0.37594938       0.68095044       0.16973907 
Hf       2.12300085       2.81554187       9.33744126       0.51096705      -0.05760371       0.60217235 
Hf       3.47674966       5.02747418       1.47796712       0.31025258      -0.46786469       0.86340027 
Hf       3.05064428       2.78018847       4.12141853       0.99097199       0.59072578       0.88460540 
Hf       1.29213787       2.37609565       1.08515871      -0.54109049      -0.25722665      -0.98652581 
Hf       4.99867400       0.16031893       9.05812034      -0.63146161       0.46790014      -0.64872535 
Hf       7.68630574       4.92917512       6.81846703      -0.04070732       0.07575345      -0.50103443 
Hf       0.35416040       2.37133430       6.27904694      -0.58131217      -0.12645830       0.98811357 
Hf       8.18476512       2.87791637       4.11090860      -0.97256835      -1.33549527       1.03743071 
Hf       6.31951836       2.43218953       1.14759445      -0.00846614      -0.96816891      -0.21044175 
Hf       5.53683396       7.58225464       6.30943720      -0.29676937       0.41675736       1.26739492 
Hf       7.27542264       7.95189117       9.42062994      -0.23902042       0.95865915       0.19246545 
Hf      -0.13658123       0.19806178       8.93261472      -0.16732396       0.25338211       0.44673650 
Hf       2.64075336       5.04981113       6.74294210      -0.61519090      -1.57214975       0.45809472 
Hf       8.63816997       5.03204185       1.48101481      -0.26439502      -0.66906430       0.43847351 
Hf       2.07116333       8.00339638       9.44772439       0.39819491       0.17372144      -0.14634010 
O       8.87235495       3.44538817       6.01909792       0.51810973      -0.14947539       0.37238548 
O       3.90283422       1.78618518       9.76837445      -0.55570051      -0.20424823      -0.95536087 
O       6.11063923       3.91866581       7.83250601      -0.53982167      -0.85488334      -0.25310943 
O       8.36278008       4.33662479       8.70208771       1.03982044      -0.08161381       0.07948693 
O       4.28400230       0.73810964       7.16670224      -0.11196905       1.16615023      -0.67495487 
O       6.58827277       3.93300306       5.18967319      -0.48070074       0.09311805      -0.66211921 
O       6.50122024       1.35633689       8.01526880       0.82393846      -0.24692527       0.40137448 
O       9.24988493       9.65018577       3.47935658       0.57160271      -0.35423826       0.23504130 
O       5.56984131       4.04694221      10.47314674       0.91915260      -0.91021146      -0.54956797 
O       6.62714395       6.56743543       7.99910641      -0.09767094      -0.29601400      -0.06165074 
O       6.04434545       9.03644183       7.77596939       0.37346620      -0.00335812       0.47869585 
O       3.85803726       6.92531835       9.80454151      -0.35885951       0.11390314      -0.68943589 
O       8.83561277       8.53011515       6.08818862      -0.27780198       0.95646397       0.27585997 
O       8.39046282       9.52989327       8.71157089      -0.10810607      -0.24277223       0.14491903 
O       4.31262933       6.09167856       7.07145259       0.35323762       0.51341838      -0.29061709 
O       7.02066257       1.25837345       5.44801509       0.54614743      -0.03992746      -0.28947831 
O       6.50835070       9.20078222       5.18462629       0.73107619      -1.12439391      -0.19798124 
O       7.58391485       6.58587436       2.78234255      -0.35047663      -0.19058831      -0.29878983 
O       7.00784892       9.12650335       2.49879000      -0.37785739      -0.88935942       0.30343971 
O       4.86278363       7.01808800       4.48255896      -0.64305408      -0.41720944      -1.05632378 
O       9.81731708       8.64490038       0.85415770      -0.12793597      -0.25128697       0.14600988 
O       7.93093107       1.20083843       0.14269844       0.31760421       0.85016456       0.32149533 
O       5.26054306       6.05894716       1.88960811      -0.25456672       0.21818083      -0.31957605 
O       7.94187087       6.47822685       0.11899200       0.63980400       0.18465312       0.26943091 
O       7.43997211       1.29663311       2.78106526       0.46884734       0.63563306      -0.19752236 
O       0.54303557       9.16004219      10.41355823      -0.59332874      -0.58981404      -0.60792851 
O       4.76226095       1.63834167       4.53163071      -0.84384012       0.64346841      -0.42785717 
O       1.90346317       1.25651930       5.37092589       0.19672342       0.05853880      -0.04520644 
O       1.42803640       1.32021763       7.99676824      -0.01056225      -0.05715649      -0.40157525 
O       1.00572651       3.80530561       7.72818585      -0.16812045       0.65657495      -0.30576799 
O      -1.32379458       1.72119024       9.78231839      -0.16947036      -0.33693531      -1.40223594 
O       3.75294844       3.44435173       6.05367676      -0.00746604       0.23835852       0.03318356 
O       3.27921299       4.38535787       8.63668902       0.22273815      -0.23381818       0.49102113 
O      -0.88702321       0.74106153       7.00296672       0.70019307       0.98332501       0.12792337 
O       1.45740983       3.90442705       5.11771908      -0.00504847      -0.02039213      -0.18818302 
O       2.81482279       1.20108042       0.06818576      -0.17668576       1.01475734       0.44175809 
O       2.40499353       1.28568922       2.81567729      -0.34203120       0.40453494      -0.70200276 
O       1.89892008       3.82506255       2.44909703       0.28166899       0.41137634       0.46677128 
O      -0.37721990       1.77787658       4.40263186      -0.09449706      -0.16738593      -0.30014484 
O       4.65662909       3.51855818       0.82905521      -0.36949009       0.13221498      -0.26227249 
O       4.16054422       4.44502529       3.44727057       0.11670212      -0.82095044       0.53355100 
O       0.11058284       0.84666891       1.75407464      -0.27845594       0.17788624       0.53703163 
O       0.60564812       3.94759166      10.30415757      -0.43760039       0.03474093       0.27077330 
O       0.14393223       5.98021345       1.83247947      -0.43515608       0.38786568      -0.48392289 
O       4.18565119       9.51383413       3.40481156       0.51387550      -0.21467631       0.25823625 
O       4.57911468       8.66712574       0.83453862       1.10436208      -0.31165234       0.56297632 
O       9.85237407       3.58628525       0.68539461      -0.26794766      -0.36730794       1.03167571 
O       9.44294346       4.27213181       3.46425716      -0.60086228       0.40257133      -0.76424501 
O       5.03615710       0.98811553       1.84105677       0.76359019      -0.31744633       0.38139163 
O       7.15096792       6.44186321       5.40522300      -0.85468564       0.31393311      -0.42712669 
O       2.00887398       6.44022403       5.32807562      -0.76290478       0.42687938      -0.18586542 
O       1.45387341       6.58858613       7.97957301      -0.25313432      -1.11679724      -0.52837262 
O       0.94910680       8.97563387       7.71607721      -0.05780011       0.87984916       0.17755332 
O       7.10442930       3.83827588       2.50092435       0.08650640       0.90716233       0.72149180 
O      -1.25876897       6.92886175       9.68313280       0.28223595      -0.35625421       0.00787124 
O       3.20403258       9.52626238       8.77589244       0.51783762       0.22770875      -0.27030088 
O      -0.90864527       5.98633001       7.00151911       1.78070349       0.84112338       0.40967428 
O       1.43206338       9.18049185       5.05909589      -0.10193582      -0.83297067       0.49557177 
O       2.95153554       6.47598712       0.12530180      -1.28194683      -0.06103799      -0.39402932 
O       2.42281478       6.58262708       2.67202456      -0.09037995      -0.59586725       0.61455491 
O       1.87840869       9.01283633       2.50252579      -0.35002117       0.38796956       0.23589084 
O      -0.40250783       6.96798880       4.37212199       0.82177733      -0.49644485      -0.01794935 
O       3.74771348       8.70787804       6.02384628       0.26079306      -0.70808257       0.04636736 
O       5.73474467       9.11194811      10.45628479      -0.35849031      -0.30502252      -0.32255417 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0022893277447579644 0.0011933316184861908 0.001467769145717396 0.0011933316184861908 -0.006079948173963518 0.0012635936910558119 0.001467769145717396 0.0012635936910558119 0.0123140830629202" pbc="T T T" energy=-972.00506005 free_energy=-972.00506005 config_type=crystal 
Hf       0.79677711       0.22213381       3.67956599      -1.08068892       0.73228931       0.40301181 
Hf      -0.16418799       5.32570609       8.88373261       0.27266032       1.06797846      -0.12490273 
Hf       0.32538208       7.56019470       6.30614947       0.20359350      -0.26078381       0.49101328 
Hf       5.94841835       5.43055103       3.75534829       0.56552427      -0.26019670      -0.27349411 
Hf       8.61060033      10.14840033       1.54214333      -0.23669473       0.53033974       0.49010958 
Hf       8.12526517       8.03871040       4.20486826       1.41694702      -0.43617971      -0.47188053 
Hf       6.33025345       7.55762881       1.15279854       0.08033366       0.19173500      -1.18811735 
Hf       1.23729087       7.55390503       1.08084969      -1.01619594       0.31082532       0.27344321 
Hf       3.03072273       8.07816245       4.15411567       0.37231377      -0.81738701       0.99320821 
Hf       3.40511545      10.14142387       1.56048985       0.90816653       1.17837479      -0.13416493 
Hf       0.84137764       5.30617878       3.71929106      -0.79805088       1.51423888       0.50300030 
Hf       5.44155192       2.33625469       6.35315839       1.39258126       0.40910855       0.48910780 
Hf       2.48341071      10.16516538       6.79928299       1.43786482       0.00039600       0.19412163 
Hf       5.98775916       0.24326996       3.73179758      -0.10391917      -0.85744466      -0.60257943 
Hf       5.01322003       5.37951380       8.94067801       0.87012146       0.85271350      -0.15856773 
Hf       7.67713958      10.18524255       6.85090586       0.44580184       0.66151366      -0.14724882 
Hf       7.28686509       2.82087500       9.43823112      -0.69764347      -0.87726634      -0.14226862 
Hf       2.10912309       2.84154161       9.34502572       0.22891048      -0.15769723       0.77118347 
Hf       3.41297165       5.00527479       1.56722933       0.70040358      -0.56909641      -0.78606756 
Hf       3.14262543       2.80383200       4.12281952      -1.26082597       0.09283794       0.74685222 
Hf       1.34798814       2.39195883       1.04728194      -2.31043456      -0.56312078       0.14409532 
Hf       4.95389097       0.18452707       9.08754959       0.13487481       1.22814247      -1.52275296 
Hf       7.75376816       4.95620807       6.72611155      -1.80262097      -0.44060773       0.10951662 
Hf       0.38274323       2.36432833       6.32209849      -0.80310178       0.60033024      -0.96670504 
Hf       8.15253955       2.85382761       4.05512109       0.46795403       0.65524734       1.20742669 
Hf       6.31353397       2.40969922       1.14938480       0.62187660      -0.25385942      -1.12431114 
Hf       5.55818136       7.61918861       6.36057222      -1.22719335      -0.95593552       0.14187513 
Hf       7.28372585       7.99369870       9.43040556      -1.58049122       0.26581596      -0.27017446 
Hf      -0.12003135       0.23758345       8.94514601       0.08010427       0.63121272      -0.10923264 
Hf       2.62721157       4.98443009       6.78239311      -0.92266903       0.79780714      -0.14821815 
Hf       8.65379721       5.06040237       1.48093490      -0.22221843      -1.63843731       0.11800613 
Hf       1.98722272       8.04806031       9.47022819       1.62847936      -1.18372390      -1.33717954 
O       9.00255829       3.62424754       6.00802494       0.60403819      -1.56165126      -0.59611584 
O       3.83544224       1.83495203       9.54910869       0.96416511      -0.58479963       1.20753186 
O       6.17116389       3.83503681       7.66710374      -0.57505498      -0.24194321       1.06340876 
O       8.41927176       4.31097666       8.64509295       0.42351594       0.12434974       0.63935454 
O       4.22132331       0.95267714       7.04410381       0.03977219      -1.30171339       0.56675600 
O       6.61340225       3.91138179       5.16694425      -0.04681115       0.03346697      -1.22031424 
O       6.70497432       1.29535521       8.04213287      -1.09405932       0.06387341       0.01706701 
O       9.36249245       9.51936354       3.48782320      -0.23990634       0.23218899       0.29435755 
O       5.80552042       3.92328201      10.37962790      -1.04882703       0.80520348      -0.02252163 
O       6.65919866       6.51208799       7.97105483      -0.58711520       0.72858655       0.08114529 
O       6.11063637       9.08507776       7.84131873       0.00025579      -0.34957369      -0.60637087 
O       3.83513669       6.95374661       9.50567113      -0.52325039       0.79317988       1.54400673 
O       8.91094423       8.69542143       6.22166554      -0.65597032      -0.33185035      -1.27285278 
O       8.48950616       9.52742433       8.75491059      -0.61485291       0.09775410       0.04759680 
O       4.33223597       5.97511171       6.97198685       0.86364170       0.91874707       0.06336772 
O       7.08175350       1.20500577       5.30907440       0.11332618       0.30430162       0.64784748 
O       6.56465124       9.09525059       5.11381045      -0.08862864      -0.04849035       1.17235658 
O       7.47110476       6.57845060       2.72402639       0.13483776       0.14152358      -0.08408323 
O       7.02504672       9.09163560       2.61504030       0.13049719      -0.61872324      -0.93747477 
O       4.68671630       6.88760199       4.35031270       0.42188909       0.41125356       0.56242254 
O       9.65362601       8.49388129       0.97920508       0.52137001       0.15093183      -0.97195289 
O       7.95021064       1.28236848       0.21372576      -0.73424104      -0.44461877      -0.90570152 
O       5.16171894       5.97896391       1.69466475       0.34769088       0.66087990       0.41645371 
O       7.89774650       6.45896543       0.08808888      -0.12973115       0.28995067       0.31600365 
O       7.49314811       1.41057236       2.70895879      -0.03986797      -0.26697039       0.54420825 
O       0.39339629       9.14721609      10.41408767       0.49874012      -0.37038770       0.60984798 
O       4.77329597       1.68771728       4.40851167      -0.44636803       0.46645058       0.24193712 
O       1.93749000       1.18374993       5.28678071      -0.10028627       0.47949404       0.04196345 
O       1.56687156       1.41072001       7.93793262      -0.85168308      -0.89936744      -0.48412961 
O       0.93331842       3.81984059       7.75926086       0.31319459       0.84331816       0.32712020 
O      -1.28445850       1.79448692       9.59152339       1.08016383      -0.50863669       0.92914849 
O       3.80983860       3.49838802       6.10474006      -0.28711950      -0.72438515      -0.92300983 
O       3.28191392       4.41150515       8.75834333      -0.69697496      -0.52343549      -0.67074813 
O      -0.85050462       0.94088966       7.03886371      -0.08197751      -0.59212567       0.27663721 
O       1.49509692       3.90727555       5.15718721       0.36140167      -0.06825721      -0.45110840 
O       2.89432990       1.23237059       0.05055360      -0.40654045      -0.28510268       0.00645371 
O       2.35459069       1.41330138       2.62975330       0.69405954      -0.73041860       0.80821469 
O       1.90029577       3.81711729       2.55308012       0.52369013       0.78616633       0.06921544 
O      -0.40382471       1.83598088       4.38848285       0.55060822      -0.65711371      -0.07790492 
O       4.61531878       3.46370948       0.76708223      -0.39896141       0.16012085       0.67084729 
O       4.37455616       4.24870866       3.46294385      -1.87268757      -0.30956038      -0.71094827 
O       0.01862962       0.82950071       1.82830612       0.78794004      -0.19176701      -0.37757640 
O       0.47569273       3.84958094      10.42032144       0.27698525       1.15909458      -0.59406903 
O       0.17441458       5.97357021       1.69351557      -0.28204436      -0.39575215       0.21051760 
O       4.23454755       9.51215870       3.38057432      -0.28526895       0.04086579       0.95520432 
O       4.53014670       8.59828266       0.96539628       0.18388125      -0.89486835      -1.42862710 
O       9.72470042       3.24358879       0.99547552       0.43390969       1.43443246      -0.76697075 
O       9.29363177       4.48450082       3.38836040      -0.02541684      -0.56646763       0.57917265 
O       5.25561784       0.74837193       1.81771281      -0.39379440       1.09676259      -0.81956025 
O       7.05925672       6.42391127       5.33895150       0.00545412       0.79110476      -0.10007147 
O       1.85248154       6.44871176       5.37431191       1.00071204      -0.80489211      -0.46194695 
O       1.51228321       6.55313994       7.92207548      -0.92662840       0.13022657       0.74104801 
O       0.92962914       9.09710318       7.84645552      -0.11042020      -0.37106328      -0.47287070 
O       6.96234587       3.93704021       2.47422346       0.54939014      -0.33554641      -0.04511064 
O      -1.41551392       6.92508311       9.59061981       1.85639400      -0.82209045       0.71009378 
O       3.16393719       9.56083858       8.74283817       0.79036626       0.21290937       0.44236576 
O      -0.91830481       6.05758447       6.99094586       1.66465056       0.73913690       0.83472409 
O       1.47713679       9.07502931       5.24964129      -0.44063551       0.60578308      -0.72821773 
O       2.63748601       6.38533210       0.03655285       0.94020094       0.13336793       0.40074464 
O       2.41122427       6.53160575       2.73614186      -0.16492266       0.19896680      -0.20184580 
O       1.86757677       9.13538965       2.59565601      -0.15863322      -1.14282800      -0.60947807 
O      -0.31883225       6.98985185       4.37413170      -0.83768507      -0.06252124       0.00626851 
O       3.81870628       8.67513427       6.07917712      -0.13854058       0.15894506      -0.05545789 
O       5.56479291       9.16715840      10.40925992       0.43009104      -0.71318742       0.92557508 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0002245651480174189 0.0029981797622296203 -0.0005158465735115538 0.0029981797622296203 -0.002218797031394056 0.0004436870384771002 -0.0005158465735115538 0.0004436870384771002 -0.002208468151428415" pbc="T T T" energy=-972.96962574 free_energy=-972.96962574 config_type=crystal 
Hf       0.74835084       0.31076002       3.78085862       0.96196001      -2.12744340      -0.73398906 
Hf      -0.15671985       5.39606564       8.98487099      -0.07035731       0.40806665       0.04724871 
Hf       0.33334029       7.51144270       6.41614226       0.09813221       1.38706933      -0.01585608 
Hf       5.90713119       5.37110431       3.62202404       0.08485623       0.49763047       0.09497361 
Hf       8.60690763      10.18740758       1.52537127       0.30345890      -0.34249385      -0.32491703 
Hf       8.22662536       8.04277352       4.21851324      -0.90203249       0.08282516      -0.35812862 
Hf       6.49863204       7.55003299       1.04787880      -0.56569818       0.08540471       0.40186027 
Hf       1.21881428       7.65409980       1.10502676       0.49516946      -0.83940475       0.03773675 
Hf       2.96510551       7.94663513       4.13911422      -0.45767009       0.75575636       0.39251103 
Hf       3.46458397      10.22147060       1.58299575       0.40205985      -0.73061715       0.60278366 
Hf       0.72464317       5.45381719       3.65911116       0.28822792       0.11419039       1.05193761 
Hf       5.50492090       2.36126319       6.26446635      -0.41783908      -0.38892454       0.04448909 
Hf       2.56137698      10.15323171       6.79437417       0.29629643       0.01337959      -0.21945074 
Hf       5.95316816       0.14919664       3.68969790      -0.42409408       1.08423830       0.64219507 
Hf       5.02188619       5.43560290       8.90291014       0.40376942      -0.72340355       0.80268886 
Hf       7.72145894      10.18002371       6.79123996       0.44357053       0.08203001       0.72246728 
Hf       7.23391688       2.78117129       9.40346116       0.69449277       0.45337598      -0.87763689 
Hf       2.12309751       2.83030596       9.46169573       0.54374697      -0.05184274       0.15618806 
Hf       3.40355427       4.92701540       1.50585142       1.00517134       0.66159882       0.17730890 
Hf       2.89560595       2.86674036       4.19183577       2.26087918      -0.75916203      -0.63085967 
Hf       1.18229610       2.37622480       1.09086210      -0.18493918      -0.07461250       0.30066506 
Hf       5.03125808       0.19397767       8.94429337       0.60950740       0.07946793      -0.16238964 
Hf       7.60493681       4.98462408       6.80155237       0.84166701      -0.07037912       0.21241112 
Hf       0.35462387       2.42993161       6.36676872      -0.18201678      -1.25215172       0.54653939 
Hf       8.20342566       2.84354787       4.18276179      -0.96567604      -0.42204063      -0.20254715 
Hf       6.48557765       2.34504093       1.04794149      -1.24185689       0.94303760       0.98525234 
Hf       5.39599291       7.52985981       6.25382065       1.04932672       1.07332634       0.99731981 
Hf       7.33077968       8.00544171       9.33295383       0.06055263       0.78758806       0.68314559 
Hf       0.01062022       0.25156204       9.01600459      -1.37771968      -0.35320882      -0.64031079 
Hf       2.54497442       4.95585106       6.82377917      -0.29903202       0.23903552      -0.86186200 
Hf       8.57225139       4.95585106       1.50631145       0.68643183       1.20621685      -0.13539674 
Hf       2.17083575       8.01017168       9.49863920      -0.69351264      -0.39015705      -0.79306562 
O       8.86250940       3.38745624       6.12382897      -0.32608514       0.84395398      -0.12350971 
O       3.87264098       1.75518199       9.80422628      -0.09148536      -0.80976335      -1.46085968 
O       6.08402017       3.82887755       7.76792584      -0.07858925       0.30312090      -0.41502926 
O       8.34345378       4.38866625       8.73517894       0.45040092      -0.12382618      -0.37606581 
O       4.42506670       0.76623763       7.04914441      -1.17110490      -0.01984838      -0.13639123 
O       6.51800343       3.87344267       5.14553986       0.91507184       0.65907756      -0.42778543 
O       6.66285957       1.36240514       7.87879784       0.15170395       0.09354942       0.72438239 
O       9.29884981       9.62075921       3.39451143       0.17928122      -0.63592121       1.20636832 
O       5.70908216       3.98734753      10.33583101      -0.41132263      -0.70442289       0.56053587 
O       6.54380810       6.51920223       8.00508649       0.48951753       0.11124723      -1.00965663 
O       6.17036031       9.06702535       7.80078175       0.04958327      -0.34315586      -0.39194598 
O       3.91753215       6.92152153       9.63186212      -0.08632952       0.33723295       0.49148793 
O       8.89253559       8.63146698       6.23116290      -0.26529718      -0.01265856      -1.25355350 
O       8.54264164       9.58973316       8.78105841      -0.66212087      -0.53689626      -0.23182419 
O       4.23433926       6.08879546       7.07329576      -0.16361481      -0.28059570      -0.45338001 
O       7.19377661       1.17473926       5.27583154      -0.50084111       0.62936114      -0.07887953 
O       6.59313723       9.12001596       5.14736423      -0.11331437      -0.29361437       0.15240586 
O       7.69884199       6.55326754       2.72942422      -1.58217913       0.36230074      -0.11479897 
O       7.01462048       9.08420207       2.49634158       0.01426281      -0.44613146      -0.14509121 
O       4.73987483       6.93646277       4.42914406      -0.35861115      -0.68578957      -0.70175727 
O       9.84640946       8.68886453       0.82380902      -0.56674277       0.25713559      -0.23216888 
O       8.05003601       1.23052247       0.02145942      -0.52524010       0.28401098       0.38584821 
O       5.23891878       6.02559015       1.73220056       0.36182911       0.40375356       0.33558315 
O       8.16042318       6.45513691       0.05537767      -1.30446253       0.14168717       0.37149479 
O       7.54975770       1.36808863       2.65401668       0.32911222       0.42120529       0.38913598 
O       0.61485981       9.25196347      10.50028949      -0.20198598      -0.95263606      -0.56267192 
O       4.75855281       1.81253559       4.43061456       0.25808124      -1.07840258      -0.37696184 
O       2.08098019       1.29728988       5.35403643      -1.36863011      -0.68899836       0.53421073 
O       1.59814220       1.32923931       8.00646889      -0.13729152       0.25700624       0.23322482 
O       0.91663858       3.78883481       7.79164194       0.14567959       0.80466322       0.35352631 
O      -1.28158661       1.73538796       9.71258022      -0.18047096       0.23233834      -0.31769284 
O       3.74766483       3.46939287       6.03454869       0.02737210       0.46483775       0.45108919 
O       3.24039792       4.34948808       8.62299027       0.31626450      -0.56136902       0.96167011 
O      -0.75022385       0.82215861       7.11875751       0.20541276       0.79521198      -0.87169742 
O       1.45915612       3.94968562       5.19481690      -0.90485857       0.30684124       0.03857059 
O       2.73700128       1.29825015       0.17027654       1.35587365       0.28509240      -0.20738346 
O       2.32363381       1.28793768       2.75081213       0.42848867       0.67127768       0.03584658 
O       1.72088751       3.85181226       2.57936645       0.86496764      -0.29377424      -0.43202880 
O      -0.30134909       1.82893885       4.42642136      -0.58691181       0.53260288       0.30944172 
O       4.73847328       3.50223669       0.80217340      -0.66755571      -0.08502529      -0.40153256 
O       4.23590916       4.26179534       3.29363032      -0.61500107      -0.05406087       0.97929338 
O       0.02734088       0.90684461       1.84764536      -0.14130418      -0.02711568      -0.01170501 
O       0.52374767       3.92127990      10.43151024       0.19634356       0.23172349      -0.12557772 
O       0.01386183       6.14189621       1.87488818       0.33448978       0.05862348      -0.66169139 
O       4.19561302       9.46059447       3.47838024       0.40626761       0.54009601      -0.33633772 
O       4.65830507       8.54228136       0.79372894       0.55991471       1.03240351       1.35093940 
O       9.80031081       3.52062513       0.76939656      -0.13030757      -0.24760548       0.40034583 
O       9.29632432       4.39030074       3.46762480      -0.09800988      -0.65668693       0.06178064 
O       5.23753661       0.87429005       1.88398253      -0.63202965      -0.10539365      -0.98751318 
O       6.99096800       6.44169187       5.35566182       0.46784659      -0.49849249      -0.08736259 
O       1.81071730       6.46484176       5.36814491       0.95033523      -0.66602718       0.11997360 
O       1.38362653       6.52391745       8.04324625       0.65807616      -0.50012907      -0.31574770 
O       1.04173124       9.04803054       7.76820957       0.02689573      -0.00709355       0.67061540 
O       6.99713856       3.95580446       2.48563970       0.45050650      -1.14062949      -0.06027592 
O      -1.20215549       6.97135027       9.66192026      -0.43018577       0.35605645       0.45209288 
O       3.30356737       9.56257480       8.79964424       0.05813805       0.14633197      -0.69201566 
O      -0.95596161       6.16425872       7.14678494      -0.57928313      -1.52431122      -0.26444981 
O       1.34641420       9.05866221       5.15049718       0.37820497       1.34414731      -0.15844310 
O       2.84169883       6.48076780       0.13421522      -0.25143106      -0.34794866       0.21710194 
O       2.39610636       6.40784361       2.77718561       0.05179292       0.91383641      -0.17877214 
O       1.89885278       9.04224429       2.57560188      -0.15697117      -0.32597769      -0.45829497 
O      -0.42582910       6.97942103       4.46898170       0.31750938      -0.51218001       0.15749595 
O       3.68842202       8.60781742       6.07020741       0.02039741       0.18645342       0.04421692 
O       5.72111270       9.12249426      10.38031295      -0.01204362      -0.25735147       0.08675276 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002767872588095626 -0.003499296286822962 -0.004061876715408879 -0.003499296286822962 -0.0054344164101286585 0.00014383508472675874 -0.004061876715408879 0.00014383508472675874 0.0032272769574044706" pbc="T T T" energy=-972.62675325 free_energy=-972.62675325 config_type=crystal 
Hf       0.80896842       0.29621620       3.73601524       0.60880589      -1.26666496       0.50805583 
Hf      -0.18389180       5.40506426       8.97094606       0.94892074       0.23086516       0.21546556 
Hf       0.36602906       7.54094948       6.45122377      -0.09582138       0.08741004      -0.49036720 
Hf       5.91340067       5.40803443       3.66891503      -0.24175669       0.17314908       0.89770336 
Hf       8.66818530      10.18693284       1.58884741      -1.36262037       0.46697494      -0.09919614 
Hf       8.17656237       7.99184726       4.23598842       0.09046222       0.48035930       0.15692929 
Hf       6.46509756       7.60257515       1.10334100      -1.22247137       0.23849882       0.15732346 
Hf       1.22647806       7.60565400       1.09259186       0.01804311       0.00910132       0.25374388 
Hf       2.91348249       7.97638120       4.18021162       0.51118584      -0.14105394      -0.35464915 
Hf       3.44485268      10.16769874       1.59095383      -0.01892497       0.34386741      -0.59759850 
Hf       0.67381132       5.33464798       3.67085439       1.29258759       1.11592191       0.23773738 
Hf       5.44907164       2.39250525       6.28930485       0.46831882      -0.79753507      -0.47280701 
Hf       2.60574911      10.12620084       6.70213893      -0.14250014       0.49611646       1.66992318 
Hf       5.92501469       0.12960938       3.67174148      -0.07126999       1.02568151       0.61337923 
Hf       4.97024712       5.41762384       8.97129257       0.61416881      -0.48548050      -0.64455148 
Hf       7.79489383      10.14336748       6.83577966      -1.00027731       1.10587150      -0.10193395 
Hf       7.25084380       2.84881814       9.37350867       0.15458233      -1.55970672       0.60117539 
Hf       2.16006233       2.80357640       9.39564274      -0.61389745      -0.09301883       0.45845651 
Hf       3.47873791       5.01070310       1.45310782      -0.57766887      -0.46322409       0.85038727 
Hf       2.97601787       2.82136022       4.11345898       1.23628659      -0.12375064      -0.71554480 
Hf       1.13342909       2.36623817       1.11524089       1.67173048       0.31759343      -0.81148270 
Hf       5.08967708       0.17083246       8.95562444      -1.01947443       1.44052890       0.31461623 
Hf       7.67578307       5.02542334       6.79102060      -0.19639154      -1.06473449      -0.42922313 
Hf       0.33162804       2.41392578       6.33147258      -0.04999145      -0.23291468      -0.23024075 
Hf       8.16715897       2.75145878       4.18125643      -0.90128624       0.75229807      -0.10840100 
Hf       6.39318858       2.34840998       1.10118617      -1.10113313       0.59052412      -0.17245452 
Hf       5.46184233       7.52049868       6.31537035       0.29512575       0.45839759       0.13666858 
Hf       7.26532699       8.09408246       9.40551655       0.36275656      -0.35967130      -0.33600535 
Hf       0.04522082       0.31447122       8.96544648      -1.46233757      -0.89815756       0.57208465 
Hf       2.52486032       4.96936821       6.76196013       1.04683767      -0.23305116      -0.69310291 
Hf       8.54558592       5.01907965       1.49945373       0.14760743      -0.61924421       0.46114725 
Hf       2.14274988       8.02157368       9.49176268      -0.25551595       0.60852926      -0.76134983 
O       8.83943122       3.36866602       6.09611362       0.21653639       0.44575780      -0.00165488 
O       3.85412397       1.74073273       9.68779559       0.28305720      -0.30202066       0.12316620 
O       6.21470233       3.71017757       7.78560651      -0.60688711       0.63806246      -0.32909950 
O       8.43599095       4.34022710       8.71970748      -0.21879503       0.15441308       0.02239341 
O       4.32419014       0.85405194       7.03882149       0.07735318       0.11490732      -0.30690653 
O       6.61862033       4.00683328       5.13919971      -0.22457137      -0.47859116       0.05045921 
O       6.69287007       1.19971722       8.07698651       0.03329061       1.04114323      -0.53463443 
O       9.40206250       9.63756052       3.58378259      -1.57594364      -1.20856072      -0.21998399 
O       5.58654391       3.92876923      10.38818503       0.64296925       0.74085202      -0.18160011 
O       6.64290739       6.45535740       7.96701935      -0.23302736       0.71083273       0.71881969 
O       6.10370134       9.01574166       7.83154605       0.17934909      -0.49363185      -0.36559629 
O       3.86405048       6.94533224       9.72450773       0.36313742      -0.57634503      -0.82170085 
O       8.87240431       8.57193505       6.28467136       0.21570366      -0.70433719      -1.06500790 
O       8.45268344       9.64997495       8.76451327       0.31805548      -0.37588709       0.05048400 
O       4.49613336       5.80798682       6.92947554      -1.29865578       0.73854387       0.63939304 
O       7.18314810       1.18343801       5.28324327      -0.69544082       0.40238194       0.31954833 
O       6.51560051       9.09520861       5.12988758       0.75930198      -0.03006655       0.52183039 
O       7.46204944       6.58264579       2.81521747       0.55680939      -0.03727533      -1.13586539 
O       7.10707388       9.05582025       2.54208633      -0.00608258      -0.06296989       0.00994967 
O       4.78363689       7.04242332       4.44118151      -0.47578610      -1.25520132      -0.88133824 
O       9.77845854       8.69524448       0.81106456       0.02366423      -0.43130732      -0.01706567 
O       7.93926340       1.34712049       0.17859773       0.99593771      -0.61918250      -0.69958565 
O       5.24499914       6.02974357       1.71261424       0.18684610       0.23938409       0.24932881 
O       8.01112184       6.48913074       0.04760892      -0.41941088       0.18734911       0.74793704 
O       7.48419019       1.37691186       2.61932727       0.38654472      -0.62429940       1.45327931 
O       0.55062070       9.21265210      10.44617210      -0.07108663       0.06304583      -0.27163501 
O       4.81604138       1.73779186       4.36303447      -0.25029047      -0.14607070       0.35655877 
O       1.98460848       1.21311249       5.28358065      -0.03486378       0.29117151       0.56807339 
O       1.49532930       1.32925469       7.98551508       0.47740195       0.18571827      -0.62538989 
O       1.05452215       3.81991873       7.65916172      -0.61222617       0.25765325       0.92979615 
O      -1.12359047       1.83655681       9.61269498      -1.69117361       0.35703686       0.25846482 
O       3.79645681       3.45583821       5.88988979      -0.50347905       0.41779697       1.27633711 
O       3.33050532       4.22293522       8.56486690       0.73843950       1.07583109       0.26433432 
O      -0.81630117       0.89493692       6.96291581       0.27783922      -0.83009788       0.72774132 
O       1.41973767       3.88316882       5.11534301       0.08978919       0.84155061      -0.27898629 
O       2.82058295       1.42166099       0.16964693       0.34659556      -1.51057274      -0.45551665 
O       2.37781926       1.35420626       2.66097479      -0.16366403      -0.20503420       0.79487739 
O       1.84184621       3.81414629       2.47267725       0.18960408       0.72447963       0.34616511 
O      -0.31120843       1.85684397       4.36498569      -0.07411845       0.16716677      -0.13847825 
O       4.58117530       3.50457305       0.75091658       1.03675326      -0.16997971       0.39420465 
O       4.20690218       4.37187241       3.43283227      -0.73880267      -0.14244617      -0.67021279 
O       0.05937261       0.80557633       1.87087255       0.39013678       1.07946361      -0.91892798 
O       0.51671984       4.01171890      10.35512236       0.03933054       0.09940462      -0.20286413 
O       0.01336847       6.08900161       1.78225475      -0.13716008       0.03544859      -0.24718551 
O       4.18973503       9.39901430       3.40259436       0.27103072       0.82477286       0.13248725 
O       4.60675703       8.58470629       0.83324568       0.80452754       0.34287452       0.76972039 
O       9.76088122       3.49636690       0.88069184      -0.62354394      -0.01495236      -0.69579774 
O       9.25217504       4.43931582       3.42458059      -0.37206105      -0.98975628       0.25987921 
O       5.11203031       0.90116330       1.89076465       0.35620671      -0.19505080      -0.76395609 
O       7.04603527       6.50712600       5.38530612       0.58988045      -0.30680461      -0.19196968 
O       1.89837290       6.50919492       5.41441584       0.26711017      -0.96177291       0.10790725 
O       1.52068852       6.47260186       8.03635692      -0.20627804       0.09495604      -0.19390116 
O       1.09607630       9.02420227       7.81224135      -0.64621419      -0.09081171      -0.04722693 
O       7.02844218       3.86887977       2.56147902      -0.24211924      -0.03428428      -0.72966811 
O      -1.28108698       7.02383778       9.58062546       0.08965392      -0.15459080       0.37553944 
O       3.29682151       9.60642039       8.79867871      -0.18011608      -0.64915236      -0.78743502 
O      -0.80666629       5.89592301       6.99997826       0.62166012       0.82484127       0.07200067 
O       1.35879595       9.10725959       5.24111156       0.20041387       0.26933907      -0.75504569 
O       2.75680760       6.50600125       0.11740200       0.17873014       0.08044266       0.13290368 
O       2.29568837       6.55052762       2.76131555       0.17156942      -0.23417988      -0.32316675 
O       1.83419260       9.08556559       2.55502515      -0.07713260      -0.31580828      -0.03274057 
O      -0.40733039       6.88886119       4.46253172      -0.19843513       0.56190430       0.27791464 
O       3.71549150       8.60929845       6.03937927       0.27077692       0.08828102       0.74101637 
O       5.61418631       9.26528009      10.45854704       0.77840398      -1.43835044       0.22508436 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0027970698434997415 0.0009717683991809751 -0.0025319344742244787 0.0009717683991809751 -0.008040699447709729 -0.0009031138023206887 -0.0025319344742244787 -0.0009031138023206887 0.009063852225448726" pbc="T T T" energy=-972.42797976 free_energy=-972.42797976 config_type=crystal 
Hf       0.76672801       0.30553796       3.76181780       0.43330031      -1.63599868       0.25817509 
Hf      -0.21380809       5.41397259       8.96941623       2.03196301       1.12016837       0.65522380 
Hf       0.33231064       7.55045826       6.42189616       0.71096464      -0.19387042      -0.41163956 
Hf       5.88325669       5.42781797       3.64754897       0.68553009      -1.05773766      -0.25436510 
Hf       8.65662708      10.17814068       1.62084133      -0.43495765       0.14796951      -0.80533554 
Hf       8.22022770       7.93970429       4.21167074      -1.35119174       1.05546020      -0.47383540 
Hf       6.47970557       7.59359731       1.11505072      -1.23126057       0.21843476      -0.11392093 
Hf       1.18663035       7.61713642       1.08995055       0.83641768      -0.76648029       0.14514534 
Hf       2.94815682       7.96782219       4.18747656       0.39182595      -0.17829369      -0.55734269 
Hf       3.43161835      10.17881044       1.56783543       0.90447663      -0.08796056       0.42716800 
Hf       0.67055813       5.35291464       3.63604726       1.31267473       0.61252844       1.22148371 
Hf       5.40901241       2.39918237       6.29428654       0.28126211      -0.84118892      -0.08287617 
Hf       2.55921797      10.12271438       6.77025738       0.18557065       0.48164799       0.42101484 
Hf       5.96565915       0.18224983       3.66859182       0.10266793      -0.05207550       0.98087361 
Hf       5.01695830       5.39769702       8.89364484       0.98195863       0.85712532       0.82687123 
Hf       7.80416982      10.17317557       6.82818805      -0.56138850      -0.52462217      -0.41165223 
Hf       7.25037731       2.84934971       9.36437410       0.00237551      -0.56561676       0.11550006 
Hf       2.19902219       2.78888162       9.41703842      -0.47164069       0.13320881       0.02525041 
Hf       3.46117154       4.98376968       1.49523438       0.02512785       0.30974319      -0.14357837 
Hf       2.96584765       2.83423733       4.08456893       0.68617164      -0.15361463       1.38857382 
Hf       1.11639497       2.42494687       1.12414056       1.86536125      -0.24092809      -1.08347968 
Hf       5.09005005       0.15030123       8.94696933      -0.03762357       0.35335540      -0.80488082 
Hf       7.65541427       5.02130650       6.74890832       0.81171248      -0.57466929       0.17312876 
Hf       0.32358825       2.40922625       6.34080056       0.75462340       0.38448950       0.32877554 
Hf       8.11773291       2.75621328       4.13908062      -0.86040180       0.38627427       1.04965707 
Hf       6.42113571       2.33748064       1.04497118       0.09294561      -0.12860559       0.45959491 
Hf       5.46225254       7.54172979       6.33924343       1.04678874       0.90285794      -0.42337686 
Hf       7.22300943       8.13231885       9.41762267       1.35120103      -1.83661084       0.01848958 
Hf       0.04437971       0.29590886       9.03373735      -1.53778991      -0.58555177      -0.80967272 
Hf       2.59139550       4.95957484       6.81660465      -1.64596399       0.48447193      -0.14160222 
Hf       8.56843953       4.97750860       1.51427047      -0.22244457       0.75029198      -0.20565559 
Hf       2.14230822       8.01174748       9.48656258       0.48411715      -0.16150911      -0.54975305 
O       8.89916321       3.48295584       6.09677515      -0.15199646      -0.51018679       0.09624906 
O       4.00016682       1.67751765       9.62683087      -0.66801551       0.85771637       0.61707651 
O       6.11516638       3.93539346       7.74072281       0.13373375      -0.85353029      -0.14618127 
O       8.45479006       4.38870656       8.72474241      -1.44744394      -1.05858436      -0.16245114 
O       4.25999259       0.82472730       7.02681429       1.01605284       0.45167069      -0.14053713 
O       6.57786203       3.91180936       5.14985003      -0.33755112       0.19772724      -0.31373275 
O       6.67624044       1.37075925       7.89504540      -0.36873282       0.03302282       0.36637604 
O       9.21538797       9.64057153       3.57646599       1.67473809       0.25826681      -0.01836748 
O       5.76455042       4.07025949      10.39616359      -0.33467517      -1.06523740      -0.54592239 
O       6.67768555       6.57699793       8.00100974      -0.53596772      -0.46263143      -0.56591618 
O       6.18291384       9.00042668       7.78406335      -0.14007783       0.94539473      -0.13750121 
O       3.91465421       6.94419908       9.50835161      -0.81049080       0.58587089       1.18000667 
O       8.81947735       8.48000141       6.14483066       0.81285125       0.58999163       0.45337413 
O       8.54844260       9.52010904       8.73675025      -0.31528651       0.64215178      -0.11032187 
O       4.34984689       5.99404387       6.94200978       0.00574468      -0.54216349       0.57308078 
O       7.03576932       1.17002903       5.31697462       0.46359904       0.40168996       0.36849273 
O       6.63708647       9.04775915       5.18365698      -0.66884921       0.31160741      -0.29454455 
O       7.51407536       6.53175194       2.65124579       0.04977896      -0.31297076       1.08895330 
O       7.11730987       9.03214160       2.54985613      -0.65681682      -0.14126415      -0.30282571 
O       4.71230113       6.84208627       4.31967556      -0.27785740       1.25351271       1.27775450 
O       9.81228241       8.70807941       0.86004538      -0.27878969       0.21814401       0.16366756 
O       8.16011537       1.21056728       0.05723816      -1.07039495       0.37887617       0.37135667 
O       5.17844650       6.06269255       1.72746018       0.25526476       0.00180345       0.07352749 
O       7.95845407       6.56692111       0.16448946       0.70554451      -1.01139457      -0.61427207 
O       7.61866668       1.32542109       2.75483291      -0.67293837       0.04150920      -0.97787568 
O       0.59005936       9.24902426      10.44985423      -0.00807641      -0.95976153      -0.02983167 
O       4.82006652       1.82907756       4.34978473      -0.60668582       0.04097331       0.34986395 
O       1.94005987       1.24600079       5.38333348      -0.43329914       0.17953856      -0.47560134 
O       1.59549403       1.32938301       7.94767990      -0.38730037       0.19344589       0.89593033 
O       1.01592986       3.84443400       7.85465028      -0.07297882      -0.36653028      -1.01976318 
O      -1.32076413       1.80437038       9.71008833       1.15127622      -0.48023927      -0.45681235 
O       3.63326006       3.44105489       6.15887971       1.19301031      -1.13341240      -1.22531358 
O       3.38885344       4.23725803       8.71591478       0.13000921       0.67707689      -0.30568858 
O      -0.69097094       0.74989162       7.08333032      -0.44493838       0.83752403      -0.81006353 
O       1.39910990       3.95243593       5.10717429      -0.07944855      -0.67619806       0.07892591 
O       2.86131354       1.27201559       0.08472334       0.01787859       0.75864838       0.64863184 
O       2.37131673       1.30436266       2.80953917       0.18088919       0.55447259      -0.64778692 
O       1.87237031       3.87999760       2.53129771      -0.45879625      -0.60301305      -0.71417264 
O      -0.34510387       1.81766414       4.38649992      -0.37627813       0.20010836       0.49772084 
O       4.73826731       3.41872137       0.86178858      -0.55417062       0.12454529      -0.71483762 
O       4.16373365       4.30993368       3.36705849       0.40836702       0.23700866       0.38183257 
O       0.12061925       0.87653383       1.80189305      -0.48706811      -0.63984427       0.70625214 
O       0.67281158       4.00958494      10.33372522      -0.45845865      -0.47922189       0.90498205 
O       0.12288594       5.96349796       1.68263538      -1.20569976      -0.39551550       0.71097000 
O       4.28137511       9.53229686       3.50280124      -1.31076047      -0.70322675       0.25735149 
O       4.72422157       8.71125593       0.95501393      -0.44853860      -0.54867321      -1.40079307 
O       9.76522266       3.43508806       0.84529447      -0.56287978       0.55712951       0.13359019 
O       9.22116562       4.28310687       3.52133036       1.00207667       1.40125728      -1.22183064 
O       5.22635207       0.85460023       1.77545657       0.43727810       0.19558229       0.14762314 
O       7.14905611       6.40187938       5.29927063      -0.89293571       0.02342605      -0.04825358 
O       1.93708604       6.34654908       5.38442617      -0.32724529       1.32443816      -0.21864067 
O       1.47183714       6.56186977       8.03234548       0.11556127      -0.06164548       0.16057956 
O       0.99726799       9.05033438       7.82599208       0.12831131      -0.00535211       0.03180684 
O       6.99456897       3.83639722       2.45283324       0.16044780      -0.21242514       0.22525867 
O      -1.34477862       6.97495144       9.70831079       0.16913379      -0.04595593      -0.28670748 
O       3.41275281       9.44908036       8.62096082      -0.75356890       0.03409573       1.11703022 
O      -0.77757503       5.98642705       7.05081012      -0.53942665       0.06941099      -0.39133523 
O       1.41627002       9.12200799       5.10731668       0.10853874      -0.11531776       0.63552247 
O       2.74389385       6.53190312       0.16074327       0.75948066       0.01856478      -0.30242764 
O       2.27486306       6.53313800       2.73488326       0.50300379       0.14556912       0.41469671 
O       1.91683254       9.04899746       2.54198384      -0.15635353       0.11972807       0.13405540 
O      -0.34450607       6.98396970       4.37936330       0.69725818      -0.67354656       0.11588307 
O       3.72213296       8.54220489       6.24154588      -0.04568778      -0.30689367      -1.69800634 
O       5.70724648       9.10965227      10.44180553      -0.55513886       0.94514683      -0.15828467 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0033810537051122097 -0.0006017687048251803 -0.00031859132967820174 -0.0006017687048251803 -0.0031674020417711995 0.00042973867616181364 -0.00031859132967820174 0.00042973867616181364 0.005211265276003708" pbc="T T T" energy=-973.13162639 free_energy=-973.13162639 config_type=crystal 
Hf       0.83884220       0.25725831       3.65676040      -0.34063066      -0.75138524       0.63482795 
Hf      -0.12340990       5.43199549       8.93866033       0.45197311       0.19970215       0.81999048 
Hf       0.33679621       7.55476016       6.38338736       0.11028227       0.05790475      -0.79239036 
Hf       5.94130926       5.42313465       3.75226511       0.29962942       0.43530157      -0.10057885 
Hf       8.62859617      10.17625318       1.59236133      -0.16303617       0.14112487      -0.51314575 
Hf       8.15563463       8.02454770       4.23374087       0.69437320       0.59714355       0.08226551 
Hf       6.35075027       7.61703740       1.11714076       0.71284109       0.12302702      -0.44812237 
Hf       1.22084081       7.63708673       1.01135356      -0.04586941      -0.48845854       0.42958320 
Hf       3.04198710       7.97084774       4.10042755      -0.62301123       0.18243953       0.42616643 
Hf       3.48664981      10.17425668       1.54742912      -0.95588255       0.11113083      -0.54729849 
Hf       0.75822376       5.41396729       3.71730330       0.39032872       0.48111375      -0.72855523 
Hf       5.50118579       2.41131989       6.32229801      -0.96425694      -0.77684474       0.07566202 
Hf       2.61393723      10.15083259       6.67823833      -0.00316184      -0.37158330       0.70370389 
Hf       5.88999803       0.13018770       3.71352803       0.69404955       0.92975344       0.72661324 
Hf       4.99223796       5.39345051       8.98584922      -0.27739785      -0.17406805       0.51539868 
Hf       7.69985296      10.17782876       6.84475315       0.12853519      -1.15878146      -0.93735695 
Hf       7.26530127       2.80963041       9.40005078      -0.15654474      -0.02985050       0.70297379 
Hf       2.11706603       2.79750016       9.46084056       0.07889970      -0.74976702      -0.51260465 
Hf       3.49288576       5.02261619       1.53005999      -0.17456407      -0.21226931      -0.49812650 
Hf       3.04324945       2.82428894       4.13366515      -0.46513704      -0.26794558       0.23901604 
Hf       1.24538587       2.45807186       1.04569016      -0.76010809      -0.32005310       0.81717512 
Hf       5.08155262       0.22125937       8.94450579      -1.10627998      -0.61877412      -0.08833597 
Hf       7.75113836       4.94486935       6.88703459      -1.36717662       0.43822098      -1.00425210 
Hf       0.36286149       2.35285983       6.27555276       0.04068001      -0.35270380       0.50546503 
Hf       8.13046886       2.83931330       4.23335162       0.30705064      -1.39386680      -0.19163125 
Hf       6.43260498       2.35612488       1.09920975      -0.48612726      -0.38170519      -0.04005891 
Hf       5.43062574       7.47286655       6.37134813       1.07901402       1.37270378      -0.05732391 
Hf       7.22358166       8.02010917       9.41413144       0.04090750      -0.39546031       0.24739254 
Hf      -0.12939093       0.28644621       8.87594705       0.46017616      -1.22018486       0.89696584 
Hf       2.45298414       4.91198739       6.78571728       0.28751401       0.48299638       0.24905527 
Hf       8.52247891       5.00476504       1.62027955       1.40957074       0.20357862      -1.18849979 
Hf       2.14759387       8.02255806       9.35917253      -0.39292387       0.03716045       0.08779788 
O       8.83093750       3.40582774       6.12537287       0.36007119      -0.27706979      -0.41051186 
O       3.85095158       1.64928192       9.68887904      -0.16789561       0.57276734       0.15800158 
O       6.06752397       3.83221429       7.81426009       0.25556291      -0.76802551       0.02485256 
O       8.45683952       4.34498461       8.69238832      -0.46938547      -0.85228181       0.70556399 
O       4.26327939       0.87570573       6.95154273       1.02580611       0.46397019       0.52293360 
O       6.54092066       3.96993859       5.19452477       0.11982722      -0.40287561      -0.08414779 
O       6.59443315       1.23895793       7.95580640       0.29261227       1.26832514       0.54755594 
O       9.36966771       9.58490074       3.46299551      -0.21789753      -1.01423430       0.25317618 
O       5.66654853       3.90723503      10.43580571      -0.58863184       0.23903116      -0.10344853 
O       6.53240480       6.39947236       8.06177411       0.69808948       0.90230599      -0.03911422 
O       6.20274925       8.96571426       7.79999295      -0.88636038      -0.19890276      -0.34859128 
O       3.89931783       6.96296831       9.63512486      -0.44299256       0.33547434       0.32463688 
O       8.87994049       8.52092920       6.18511868      -0.30710925       0.62406526      -0.36726445 
O       8.42577615       9.53468600       8.71778902       0.62012000       0.67397825       0.08581492 
O       4.26681705       6.05689009       7.06581650      -1.13236628      -0.98028113      -0.09818002 
O       7.05610132       1.25757579       5.47804908      -0.35812389       0.79729344      -1.34202743 
O       6.66990158       9.17090462       5.19388686      -0.43753300       0.02644648      -0.27663110 
O       7.61731376       6.58080224       2.81206456      -0.93197446      -0.81556058      -0.23672771 
O       7.03799598       9.06267078       2.59205147      -0.53411110      -0.57577506      -0.54526064 
O       4.90090290       7.13452362       4.19540597       0.10347559      -1.48883609       0.93900159 
O       9.79855638       8.72797807       0.76879677       0.05375793      -0.46394848       0.02218121 
O       7.97719100       1.20622144       0.07081374       0.14708918       1.05741724       0.18470285 
O       5.25579488       6.04350915       1.69844318       0.00762881      -0.77004275       0.81567271 
O       7.95249781       6.47361574       0.14659835      -0.36118453      -0.14154429       0.37166216 
O       7.55981271       1.22465143       2.76685786      -0.83957053       1.58163645       0.20546470 
O       0.53821336       9.17502416      10.38704089       0.30112432       0.69453567      -0.67234831 
O       4.68661752       1.71860919       4.35739923       1.14047453      -0.10143934       0.63839588 
O       1.96325200       1.21443621       5.31627370      -0.27783213       0.91012815      -0.30973273 
O       1.49842314       1.31369211       7.89539181      -0.12391400       0.31126682       0.68891980 
O       0.83924118       3.84691635       7.70133081       0.70506952      -0.07891069       0.16064148 
O      -1.21504151       1.77878646       9.70293428      -1.30911978       0.35755573      -1.09169164 
O       3.67193909       3.47247037       6.10313231       0.50771866      -0.40307081      -0.49037574 
O       3.13702070       4.35779159       8.78124396       1.09781475       0.62743766      -0.71889367 
O      -0.82106474       0.80238941       6.99418760      -0.11039409       0.28233486       0.35520490 
O       1.32908972       3.90782561       5.10346947       0.60312578      -0.03238608       0.09161580 
O       2.77061566       1.39257668       0.13692983       0.80044649      -1.38921258      -0.10310753 
O       2.40218629       1.31078085       2.74583096      -0.07549329       0.71178202      -0.54310385 
O       1.85471470       3.91282054       2.49985581       0.78636890      -0.39098803      -0.12768316 
O      -0.39153001       1.65476083       4.46984548      -0.73275741       0.91932374      -0.32284379 
O       4.64351713       3.37553618       0.88180742       0.05683291       0.49576444      -0.08567504 
O       4.33247867       4.24808700       3.47165986      -0.91925522       0.97634933      -0.58591009 
O       0.01204932       0.93134784       1.75289648       0.94199754       0.38248080       0.49810952 
O       0.60771973       3.99573821      10.31325412      -0.44018222       0.13406617       1.10862376 
O       0.06541754       6.05919715       1.71782957      -0.28934161      -0.24524762       0.85530421 
O       4.16856051       9.51900310       3.50676027       0.13395241       0.81989115      -1.41075923 
O       4.55105258       8.53980712       0.84575293       0.53646153       0.73369748       0.00597249 
O       9.70551295       3.49722951       0.74857358       0.83721348      -0.11941680       0.46964831 
O       9.36418590       4.27133945       3.47465830      -0.14517843       0.37628291      -0.20574813 
O       5.16945723       0.85219945       1.76349398       0.63723079      -0.36455113       0.47128422 
O       6.99650133       6.41944033       5.47621683       0.45915808       0.03260586      -0.82482843 
O       1.92248427       6.40079338       5.36927908       0.27124041       0.03754083      -0.24881511 
O       1.43232048       6.49571122       7.96049229       0.42059450       0.36854335       0.31676393 
O       0.94999386       9.00769656       7.71688554       0.60801878       0.45582106       0.43172533 
O       7.01687700       3.84486728       2.63276990       0.03496454      -0.20927938      -0.69876713 
O      -1.32123566       6.96314796       9.59766497       0.10830547       0.03405209       0.26088737 
O       3.37344015       9.45267873       8.55705993      -0.27148642      -0.03154352       0.56045892 
O      -0.86504321       6.00417815       7.07687656       0.46272539       0.61828267      -0.67626382 
O       1.56413019       9.14177989       5.11556919      -0.81687706      -0.44411598      -0.18455183 
O       2.78462805       6.55036968       0.08990464       0.37385346      -0.97726945      -0.06515263 
O       2.43221756       6.50286193       2.70867716      -0.18417112      -0.06664422       0.20212213 
O       1.87506738       9.05097661       2.49413604       0.16006224      -0.17082761      -0.09766138 
O      -0.34648597       6.97613084       4.40881534      -0.21133234      -0.17792752       0.16770991 
O       3.89988794       8.67800272       5.95181353      -0.89789514      -0.02682175       0.39675279 
O       5.65186054       9.21486991      10.42770587      -0.21812224      -1.03037229       0.07790222 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0035465223660315196 -0.001869459459784423 0.002606902625950489 -0.001869459459784423 -0.004101027917083934 0.0018138933075611137 0.002606902625950489 0.0018138933075611137 -0.002419949835533139" pbc="T T T" energy=-972.66756777 free_energy=-972.66756777 config_type=crystal 
Hf       0.84945541       0.24767004       3.70555346      -0.62672521      -0.47869708       0.23007128 
Hf      -0.14953746       5.49522470       8.95748515       0.05415814      -0.81545269       0.46204187 
Hf       0.45064061       7.53602458       6.28858840      -0.81704900      -0.47527552       0.70443627 
Hf       5.91735746       5.41440940       3.70839870      -0.17949578       0.29725537      -0.08666719 
Hf       8.68277713      10.27676100       1.65260928      -0.83340181      -1.38357592      -0.74733105 
Hf       8.18753028       7.98706408       4.30765659       0.17744853       0.54049407      -1.74773405 
Hf       6.38498359       7.62887881       1.09723470      -0.20203933      -0.05535289       0.04048776 
Hf       1.20158405       7.64207292       1.10388692      -0.62234025      -0.92507880      -0.75202194 
Hf       2.98498853       7.96616567       4.10011851       0.55155844      -0.02000329       0.75838116 
Hf       3.42792750      10.23124704       1.47699980       0.86136950      -1.33852605       0.58534386 
Hf       0.74653845       5.39073594       3.66414556      -0.56660091       0.19762138       0.67964266 
Hf       5.32703658       2.35621050       6.28730743       2.20666406       0.17180020       0.08887685 
Hf       2.53337271      10.12980877       6.78693272       0.41611794      -0.26178430      -0.23096806 
Hf       5.96489476       0.14583112       3.73778165      -0.44637342      -0.42561204      -0.31548316 
Hf       5.04165910       5.42454025       8.90431113       0.16857307       0.28836410       1.27576769 
Hf       7.83050975      10.21170071       6.77962768      -1.04706964      -1.17333757       0.73138682 
Hf       7.22868449       2.84748226       9.43410156       0.34755037      -0.68409832      -0.05392260 
Hf       2.15832794       2.82468938       9.45272182      -0.56909078      -0.55365041      -0.63466685 
Hf       3.45620691       5.00223656       1.44954676       0.03375993      -0.08953113       1.01990418 
Hf       2.97356515       2.85084102       4.11438345       0.13017632       0.26422904       0.06016294 
Hf       1.23063844       2.40307094       1.08112312      -0.72760836       1.09817690      -0.39902627 
Hf       5.07654185       0.14432183       8.90770324      -0.03049809       1.11860917       0.40488342 
Hf       7.68843225       4.92389571       6.82354343       1.13292186       0.53435707      -0.61643018 
Hf       0.36548902       2.33455650       6.30132949       0.45666663       1.06087490      -0.11801302 
Hf       8.11939084       2.78335045       4.18951482       0.76716993       0.92311614      -0.57640630 
Hf       6.36512861       2.24791463       1.07808730       0.52839775       1.23481060       0.63706487 
Hf       5.51279535       7.56401760       6.33442083      -1.17849505       0.20374984       0.25205610 
Hf       7.19110105       8.05511927       9.47430651       0.83659450      -0.34720130      -0.76307894 
Hf      -0.04906527       0.22934218       9.01029469      -1.50776196      -0.09158430      -0.93569881 
Hf       2.52868418       4.88721838       6.84920298      -0.09111770       1.13803883      -0.66943437 
Hf       8.56914236       4.99321966       1.54794144      -0.29933576      -0.00846091       0.35335645 
Hf       2.12935072       8.06586013       9.39344455       0.40854011      -1.45616659       0.18482324 
O       8.97097838       3.40577870       5.99638389      -1.19835801       0.94044204       1.43603863 
O       3.91661214       1.72482778       9.69220415      -0.42092595      -0.45028461      -0.08318103 
O       6.10970165       3.91905929       7.68730980      -0.25755325      -0.74755525       0.24027122 
O       8.38329011       4.33765197       8.73340759       0.62109031       0.52818670      -0.62846782 
O       4.30533703       0.87414905       7.01605770      -0.74163100      -1.10797219       0.55060402 
O       6.60843139       3.92959609       5.10417900      -0.46941146       0.22203335       0.75007035 
O       6.63920173       1.35935257       8.05146316      -0.25393949      -0.11829008      -0.78381002 
O       9.39485887       9.55511332       3.51352674       0.11573071       0.18072851      -0.30212598 
O       5.81193695       3.94961683      10.37916429      -1.99749502       0.65613503      -0.10448755 
O       6.58270159       6.62144668       7.95452061       0.30784251      -0.55082830       0.49452624 
O       6.11992025       9.09324589       7.78250916       0.05026564      -0.19320405      -0.55483942 
O       3.81800081       6.92254362       9.72890632       0.39493619      -0.48198100      -0.56565377 
O       9.04266885       8.70619087       6.07079156      -1.03318482       0.26156958       0.30204200 
O       8.43632162       9.53323635       8.74805423       0.73719552       0.69132623      -0.34978867 
O       4.35958317       5.97953621       7.08353446      -1.10299541       0.12437442      -0.60015451 
O       7.12833002       1.11213825       5.30174583      -0.70817921       1.13580345       0.41504694 
O       6.55533188       9.04314659       5.15192295       0.02639531       0.46726460       0.39584218 
O       7.44319543       6.63047855       2.80510215      -0.39145586      -0.68954076      -0.47646613 
O       7.07909913       9.10782991       2.56505195      -0.15999362      -0.03597056      -0.34929420 
O       4.60793977       6.77948993       4.47592091       0.85098809       0.70641644       0.39520630 
O       9.77889193       8.69986847       0.84663645      -0.27744422       0.52991818       0.04775215 
O       8.00976103       1.33599332       0.20491062      -0.02491616      -0.95095654      -0.26176665 
O       5.09126853       6.14717999       1.77014558       0.65991465      -0.15289570       0.50803794 
O       7.97062814       6.46734686       0.08434511      -0.62669720       0.30121268       0.42260485 
O       7.55334768       1.31240298       2.78868553      -0.64680885       0.34039881      -0.41676293 
O       0.57302995       9.07035524      10.39075652      -0.51792077       1.04045782      -0.17441394 
O       4.68074276       1.71336188       4.37885570       0.77165891       0.10186389       0.21785550 
O       2.04583827       1.14823486       5.32796180      -0.96773306       0.78609447      -0.46776940 
O       1.46054865       1.30618834       7.93426708       0.46531999       0.15704765       0.71680913 
O       0.95694435       3.81025014       7.83003859       0.37729075       0.09358040      -0.39996944 
O      -1.27891046       1.81212226       9.69176985       0.41008301      -0.86844640      -0.24330613 
O       3.69526503       3.40049066       6.06159473      -0.43012876       0.35532215      -0.21264234 
O       3.36670892       4.18317769       8.66034652       0.27094077       0.86916776      -0.07825405 
O      -0.77768642       0.84297058       6.96633197      -0.17210251      -0.27994907       0.97173606 
O       1.38422816       3.93694473       5.16283191       0.56438180      -0.67047009      -0.00584725 
O       2.78433548       1.27135269       0.06510321       0.59858817      -0.58389284       0.23540401 
O       2.42050013       1.33619042       2.64752428      -0.01966277       0.85939309       0.56768662 
O       1.78167557       3.90244604       2.54374941       0.58654118      -0.55545646      -0.69416028 
O      -0.33530490       1.80907573       4.36083429       0.70412603      -0.82543625       0.03047896 
O       4.72103452       3.45535547       0.82128636      -0.83099933       0.47507824       0.02159659 
O       4.07359047       4.46387526       3.50733791       0.17591704      -0.99239216      -0.79538370 
O       0.08758138       0.91396228       1.78715653       0.20004179      -0.32845742       0.58856144 
O       0.52462329       3.87626571      10.39346504       0.48510453       0.71682905       0.30346100 
O      -0.13874934       6.21438234       1.81709233       1.07663000      -0.36939396       0.61528819 
O       4.26564838       9.38121594       3.45666870      -0.34850351       0.44962028      -0.45220286 
O       4.73868169       8.80712656       0.69432042      -0.41963816      -0.20325720       0.65634591 
O       9.71925288       3.48807659       0.88425028       1.53719683      -0.52963051       0.19454247 
O       9.28149820       4.38629996       3.54933384      -0.00779373      -0.20234207      -0.94684435 
O       5.17731802       0.77604253       1.82146036       0.73734383       0.95424964       0.07162614 
O       7.09892203       6.55497529       5.44321863      -0.25675362      -1.58957328      -0.21588838 
O       1.92225875       6.35007316       5.35069882       0.09802576       0.45164188      -0.49446851 
O       1.52321033       6.51390183       7.94343314       0.06138593       0.00674042       0.32596010 
O       0.96655076       9.02902368       7.77223706       0.13832161       0.26119447      -0.01187679 
O       7.00020431       3.90478302       2.58594223      -0.28321243      -0.80408777      -1.04356306 
O      -1.37618854       6.90552733       9.71961058       0.54742236       0.27132596       0.40775040 
O       3.27205408       9.53485640       8.69275153       0.72156742       0.72468206      -0.69137673 
O      -0.83591550       6.08818846       7.17171826      -0.55298639      -0.00419839      -1.04641835 
O       1.33616005       9.05268301       5.06105362       0.90699222       0.19580231       0.18369924 
O       2.86021852       6.43148143       0.06083073      -0.63141456       0.26696329      -0.00995528 
O       2.24580948       6.58307937       2.62173179       0.49517203      -0.10159804       0.58169776 
O       1.88864322       9.14030676       2.45279786       0.01089720      -0.22510321       0.30030027 
O      -0.46255535       6.82366458       4.52316997       0.46371155       0.17251704       0.04527637 
O       3.66244254       8.59588988       6.08302296       0.25899349       0.02531627      -0.09761987 
O       5.64799608       9.16421285      10.34673345       0.03620720      -0.07788140       0.82362425 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004615151172476777 5.331444666652821e-05 0.0006972223445890891 5.331444666652821e-05 -0.0036975778594509376 0.0012821996235185607 0.0006972223445890891 0.0012821996235185607 0.0015008906438787552" pbc="T T T" energy=-973.22523081 free_energy=-973.22523081 config_type=crystal 
Hf       0.80163281       0.21554159       3.58515575      -0.23088036       0.24771629       1.14726049 
Hf      -0.09104005       5.47302895       8.92105158      -0.47883940      -0.18118400       1.18269611 
Hf       0.38377018       7.59661788       6.16045322      -1.02590775      -0.04549751       0.57305595 
Hf       5.94605474       5.36854113       3.79113365      -0.17105540      -0.23973016      -0.53960119 
Hf       8.52875756      10.16950717       1.52974865       0.54529706      -0.01701200      -0.45780236 
Hf       8.08951441       8.02458282       4.09708447       1.01911558       0.66137226       1.26145560 
Hf       6.33974529       7.55280055       1.11366160       0.57545608      -0.59204680      -0.76124204 
Hf       1.25430818       7.60707238       1.09082125      -0.58426573      -0.64521238      -0.61032685 
Hf       3.07487914       7.98553307       4.10698338      -0.36823879       0.78294098       0.41109954 
Hf       3.50510021      10.17665352       1.41923787      -1.29283956       0.53482860       0.67906873 
Hf       0.88760275       5.42107020       3.61664911      -1.42063634      -0.72622918       1.02731263 
Hf       5.54865033       2.37056116       6.40542536      -0.93956075       0.44838631       0.10294492 
Hf       2.53655652      10.17309214       6.78994681       0.33559958      -0.47360957      -0.78318647 
Hf       5.90099160       0.26235184       3.65657369      -0.82752124      -0.10297961       1.13114772 
Hf       5.06459387       5.39103736       9.06925967      -0.47706787       0.80392400      -1.15998819 
Hf       7.65666592      10.17356833       6.79266195       0.39019714      -0.23402333      -0.77584867 
Hf       7.29594781       2.85890930       9.44290031       0.01165900       0.10365261      -0.27796838 
Hf       2.08640498       2.77705881       9.42276250      -0.40474323       0.65733313       0.06067235 
Hf       3.48915998       4.95033548       1.53824341      -0.09246789      -0.41005770      -0.11816064 
Hf       3.07868706       2.81610689       4.27862541      -1.53111103      -0.74360831      -0.31425394 
Hf       1.20455430       2.40176061       1.09555219       0.51888648      -0.70459273      -0.66837884 
Hf       4.98696554       0.19816028       8.91024910       0.24605448       0.30180324       0.69546714 
Hf       7.73357683       5.03565165       6.78915612       0.02516916      -0.64487684       0.93322069 
Hf       0.35535963       2.37760536       6.40492868       0.22660842       0.36331943      -1.42095246 
Hf       8.20055880       2.78135042       4.24416480      -0.30022657       0.12579174      -0.30986811 
Hf       6.36202695       2.36003870       1.07844274       0.16282425       1.31258443      -0.40675611 
Hf       5.45169854       7.59786772       6.39241388       0.55589483      -0.69123099      -0.14562172 
Hf       7.23827340       8.02028944       9.46422973      -0.14241089      -0.81231741      -0.53467476 
Hf      -0.16984964       0.18090751       8.86537422       0.31539170       0.27509065       0.75452835 
Hf       2.56619907       4.96882958       6.88142276       0.54278278       0.06959337      -0.74435166 
Hf       8.56736192       4.97389963       1.68541069       0.30621267       0.38850638      -2.13006123 
Hf       2.09562402       7.97249356       9.43481570       0.78643825       0.04584917      -1.01989357 
O       8.85623604       3.45373500       6.13044486       0.51057578      -0.42014876      -0.30190343 
O       3.77918564       1.72930621       9.65963480       0.91770773      -0.63313771       0.21275855 
O       6.20586720       3.83563332       7.83002441      -0.39409557      -0.16515129      -0.00967807 
O       8.48147910       4.45698805       8.75063149      -0.71120499      -0.75704109      -0.16075517 
O       4.24611089       0.89435091       7.07763680       0.29772744      -0.14772472      -0.00465122 
O       6.56756054       3.95361357       5.19200127      -0.22976380       0.09026213       0.16060191 
O       6.63990392       1.25754399       7.99482952      -0.23669460       0.68665215      -0.24799306 
O       9.32124566       9.52567138       3.35416441      -0.72066550      -0.42701380       0.07439959 
O       5.65649571       4.03559061      10.49462715       0.14984069      -1.00802572      -0.02355097 
O       6.56878977       6.51402557       7.93691596       0.37755433       0.33033668       1.24037658 
O       6.06466082       9.07124018       7.79900474       0.21529337      -0.39718336      -0.29619297 
O       3.83032958       6.88544175       9.71866993      -0.13923360       0.02460304       0.15213765 
O       8.93503205       8.72778273       5.95698885      -0.18575897      -0.40209662       0.00101030 
O       8.41110197       9.43986333       8.59791004       0.65213565       0.73206618       0.02578201 
O       4.24604703       6.13131214       7.11061200      -0.20341889      -0.49408887      -0.07238316 
O       7.00072697       1.35427567       5.33173781       0.83673244      -0.97709801       0.20562747 
O       6.49176044       9.23829638       5.21994784       0.54062140      -0.48275006      -0.92316754 
O       7.56758055       6.56065140       2.73667004      -0.81635312      -0.19473914       0.30369154 
O       6.84690115       9.06622863       2.51413398       0.98347966       0.03745863       0.21891421 
O       4.72589717       6.87016126       4.42500011       0.77869503      -0.10857303      -0.06794402 
O       9.81620189       8.66394528       0.80994929      -0.67887219       0.80879972       0.06656754 
O       7.94174860       1.31952844       0.08283124      -0.34798213      -0.38131346       0.15446260 
O       5.29361634       5.94092514       1.76294029      -0.68485472       0.05418750       0.67537374 
O       7.93210309       6.51341826       0.15446875       0.37114719      -0.34125852      -0.10046001 
O       7.44240093       1.33015865       2.70901486       0.21962170      -0.09298521      -0.02325304 
O       0.62703210       9.16094853      10.31945429      -0.72844978      -0.23837459       0.03208873 
O       4.72110168       1.72201731       4.48254604       0.44305429      -0.41307126       0.08573152 
O       1.87387444       1.25607813       5.35495397       0.40620825      -0.26956928       0.35574177 
O       1.43638876       1.28729172       8.03833134       0.28738098      -0.07395676      -1.23330334 
O       0.97793919       3.82761575       7.80141735       0.10928571       0.21754651       0.21595388 
O      -1.32027298       1.73473576       9.63817570       0.13651897      -0.32403242      -0.13772441 
O       3.73207777       3.40151556       6.24251971       0.39628717       0.09584949      -0.89677339 
O       3.33738301       4.29735124       8.71099389      -0.18284306       0.18287454       0.21660594 
O      -0.85071698       0.90405004       6.96849456      -0.74931732      -1.00263763       0.91095469 
O       1.49364442       3.90743909       5.15229152      -0.59271055       0.73591486       0.36105033 
O       0.98167052       1.23586194      10.48302726      -0.22381993       0.20287968       1.09601953 
O       2.34341932       1.23161449       2.64077597       0.04449288       0.73951402       0.22920761 
O       1.90158321       3.71195566       2.58566806      -0.13011527       1.29712285      -0.38882638 
O      -0.37558445       1.73435828       4.43414181      -0.29963470       0.10393980      -0.17608245 
O       4.57211550       3.43124666       0.77662138       0.65645549       0.11430434       0.54500417 
O       4.18049449       4.28353017       3.52891315       0.83480732       1.19298310      -0.66158837 
O      -0.10302007       0.92292391       1.79810423       0.75448684       0.39348375      -0.20649762 
O       0.49972491       3.98588156      10.43161587       0.08158059      -0.12727776      -0.11843633 
O       0.08662755       6.04124002       1.71242292      -0.03488830      -0.40436384       0.79894253 
O       4.15227989       9.54509604       3.40062718       0.56910057       0.12771801      -0.49301571 
O       4.70938496       8.68203249       0.77601812      -0.44119083       0.16553096       0.12605961 
O       9.81204861       3.49614029       0.74818338      -0.32247768       0.30400443       1.08606423 
O       9.23802214       4.36876467       3.47671337       1.45810332       0.07044922       0.37570013 
O       5.06875784       1.02098097       1.75420233       0.40704628      -1.02590414       0.84655623 
O       7.14061995       6.45335030       5.43823495      -0.76762219       1.02999675      -1.44827219 
O       1.89384027       6.42994003       5.21901109       0.19355695       0.14931311       0.78028284 
O       1.50957637       6.56401619       7.96135890      -0.04662727      -0.29626159      -0.09686490 
O       0.97992997       9.02272436       7.68054092      -0.09475497       0.20500470       0.18353157 
O       6.96578996       3.84726391       2.57643311      -0.01098398      -0.36588434      -0.06012221 
O      -1.29087487       7.01680563       9.68604451       0.83979205      -0.64429376      -0.39592790 
O       3.35351531       9.42612986       8.62682025      -0.61578569       0.03158439       0.00940969 
O      -0.75960211       5.97475283       7.02996404       0.26263725       1.20974971      -0.88806364 
O       1.45406084       9.14900375       5.08701705       0.30355994      -0.40673250      -0.25596746 
O       2.84044591       6.48365349       0.18361292       0.25023347       0.03645045      -0.78212617 
O       2.38527261       6.50532027       2.69653355       0.43851245       0.27751627      -0.03657497 
O       1.86563037       9.08815319       2.41219367       0.19191944      -0.54443385       0.22884878 
O      -0.41937688       6.96216358       4.24423390       0.37336722      -0.07397456       0.74160536 
O       3.82812458       8.63294437       5.97342783      -1.73720788       1.21617163       0.35389914 
O       5.68045448       9.10562489      10.36977142      -0.28623554       0.81560357       0.67375761 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01778282533281115 0.006015026792232169 -0.004958761092165352 0.006015026792232169 -0.004529706672649009 -0.003525670307921148 -0.004958761092165352 -0.003525670307921148 -0.013666643062777116" pbc="T T T" energy=-972.63799746 free_energy=-972.63799746 config_type=crystal 
Hf       0.78178817       0.18179900       3.79290804      -0.22539259       1.32708052      -0.83910070 
Hf      -0.12979498       5.48492418       9.01778896       0.61888359      -0.72629858       0.15227248 
Hf       0.34697196       7.58258308       6.37746167      -0.74288012       0.12698548      -0.33827625 
Hf       5.87904460       5.38566392       3.72445956       0.93562883      -0.40092449      -0.67657012 
Hf       8.55756394      10.20783261       1.52791745       1.52703573      -0.08399545      -0.56271959 
Hf       8.12747529       8.01636835       4.09784839       1.76021546      -0.56042754       0.51977121 
Hf       6.45787965       7.59887808       1.11881025      -0.34485680      -0.93606374      -0.52006943 
Hf       1.21066492       7.68123436       1.09988021       0.24904142      -1.83546751      -0.11855559 
Hf       2.96752343       7.98819860       4.09424627       0.80215711      -0.49238055       0.84632651 
Hf       3.50162751      10.17090706       1.50096560      -0.36351775       0.38809551       0.37183135 
Hf       0.71977435       5.45327669       3.68488296       0.74876808      -0.92123608       0.98818406 
Hf       5.45264860       2.41069159       6.21274750       0.82903268       0.83939262       2.55592784 
Hf       2.61007751      10.21530739       6.78294429       0.01770939      -0.71504269      -0.93000681 
Hf       5.84997181       0.20981539       3.73996819       0.68514144       0.31922262      -0.44384797 
Hf       5.01895049       5.39348719       9.00559778       1.07152042      -0.26936574       0.07855713 
Hf       7.76559118      10.11588068       6.69274227      -0.72067225       1.30309231       1.04477146 
Hf       7.28028281       2.80087680       9.38136195      -0.79707896       0.68195056      -0.44912908 
Hf       2.11411704       2.80578985       9.40534791       0.52074960       0.61237650       0.72581674 
Hf       3.49955109       4.94145136       1.50762444      -0.89509675       0.06112070       0.07490740 
Hf       2.98516858       2.81738791       4.16114760      -1.74610895       0.99872740      -0.28976050 
Hf       1.13540372       2.37492934       1.14855893       0.44689619       0.32964820       0.59182112 
Hf       5.09888194       0.23196023       8.88098282       0.27570060       0.69287398       0.21115459 
Hf       7.72092767       5.02887281       6.85055346      -0.27987219      -1.06532002       0.01424562 
Hf       0.30614340       2.34331001       6.44724783      -0.37020391       1.31936686      -0.71906601 
Hf       8.15418184       2.74485908       4.16965559       0.31428993       1.56816271       0.23566905 
Hf       6.39811298       2.35049573       1.11037240      -0.32407979       0.61523315      -1.04609490 
Hf       5.48369495       7.54139252       6.25397332      -0.69902404       0.21237637       2.05323399 
Hf       7.34168621       7.99736398       9.36399083      -1.43077155       0.18485829      -0.05008821 
Hf      -0.10860896       0.21469582       9.02486026      -0.78625554       0.27589331      -0.38374877 
Hf       2.55512901       4.95150086       6.82363710      -0.36132166       0.75690924      -0.42847287 
Hf       8.60386373       4.98269657       1.54660986      -0.48288422      -0.28772571      -0.05707866 
Hf       2.21926702       8.03225823       9.40913453      -0.16152913      -0.32348761      -0.09880410 
O       8.83865572       3.42916227       6.21283728      -0.01614072       0.27944213      -0.78694570 
O       3.83946693       1.65377468       9.77031307      -0.39537070      -0.35778927      -0.94508030 
O       6.18978947       3.81270443       7.73718317      -0.04901335       0.91025598      -0.24665940 
O       8.54660691       4.35102782       8.80061333      -1.16845802      -0.54513531      -0.30632980 
O       4.27291649       0.97738194       6.99641982      -0.28200364      -0.58630018       0.91608401 
O       6.60508967       3.94717771       5.05813845      -0.27942237      -0.17748114       0.44438192 
O       6.63976523       1.40901195       7.91925376      -0.57224356      -0.83407722       0.63815293 
O       9.42589826       9.49568343       3.44242203      -1.34016488      -0.79754024      -0.57685437 
O       5.71189466       3.89970300      10.34948313      -0.50816266       0.32713807       0.28705471 
O       6.54811642       6.47597953       8.04979830       0.89576517       1.02430094      -0.29684054 
O       6.15896837       9.18269459       7.65219700      -0.18268457      -1.32083147      -0.31043521 
O       3.94530943       6.89112441       9.80367742      -1.89166720       0.66091060      -0.60124214 
O       8.96806503       8.75568961       5.96204708       0.35510418      -0.50332666      -0.09777229 
O       8.48849634       9.44297357       8.56303203       0.76865463       0.07497910       0.65232296 
O       4.31497447       6.07474591       7.18371812      -0.86472887       0.56055150      -1.24997277 
O       6.97078942       1.28004116       5.41859119       0.66416680      -0.54224323      -1.66739333 
O       6.64932943       9.10616664       5.01605903      -0.87948097       0.27104383       0.49156743 
O       7.54089498       6.50106680       2.76794415      -0.58807178       0.14776804       0.07529959 
O       7.07744138       9.03439827       2.48642304      -0.07476281       0.36320692      -0.14694527 
O       4.68366286       6.72854226       4.56514291      -0.94861124       0.83024355      -0.54832914 
O       9.89188924       8.75573834       0.72506613      -0.93614991       0.56406641       0.32366092 
O       7.97299259       1.29169907       0.06775996      -0.03006679      -0.64523105       0.56885423 
O       5.20563851       6.12105795       1.86179826      -0.13492579       0.24522850      -0.32347390 
O       7.97901171       6.46145016       0.13903069       0.28359838       0.05004242       0.51962161 
O       7.53059436       1.27284993       2.74256035      -0.21902329       0.20392771       0.33776573 
O       0.62107994       9.12243108      10.41884779      -0.19500526      -0.10783515      -0.77508828 
O       4.60165818       1.67511240       4.46001420       0.83800948      -0.55384424      -0.49452861 
O       1.81082220       1.24251765       5.44327817       0.56730751      -0.01356845      -0.14206613 
O       1.49120295       1.38612223       8.00932305      -0.44609249      -0.88052048       0.64243852 
O       0.97724967       3.89867467       7.80600926       0.00676352      -0.07270985       0.39197292 
O      -1.37761948       1.71722655       9.74820976       1.15022013      -0.89488682      -0.20724835 
O       3.72754246       3.53317058       6.03967224       0.52284064      -0.23188120      -0.66786542 
O       3.36716909       4.28431391       8.64387530      -1.07750753      -0.76073225       0.30484972 
O      -0.92669565       0.91593913       7.19128610       0.76061146       0.06744872      -0.23730712 
O       1.37074589       3.91610429       5.23138708       0.39621717       0.21512284      -0.73996865 
O       2.65334333       1.25293745       0.26500421       1.11519518      -0.60828996      -1.41062342 
O       2.28633388       1.31590181       2.83989594       0.60059241       0.26757311      -0.02724944 
O       1.85248618       3.90645846       2.49317765      -0.08415349      -0.69914643       0.58921552 
O      -0.43398388       1.74287915       4.50081002       0.11333568      -0.65801584      -0.01488253 
O       4.61181672       3.41021452       0.73763282       1.76609787       0.11819876       0.88394459 
O       4.23936019       4.21438567       3.29742187       0.21750518      -0.33339973       0.94570375 
O       0.07424759       0.76932064       1.82651440      -0.51317642       0.36740239       0.11668544 
O       2.41763608       3.83238677       0.03943211      -1.21739165       1.02880717      -1.82419934 
O      -0.00617620       6.14206973       1.88077544       0.47916283       0.62830966      -0.40451913 
O       4.29390617       9.44838992       3.34370414      -0.64845021      -0.83960759       0.39592757 
O       4.77105717       8.81331554       0.71080802       0.24470353      -0.72744350      -0.08913477 
O       9.68571599       3.42469818       0.88980068       0.71310234      -0.14853562      -0.12490066 
O       9.32929361       4.34734809       3.44719896      -0.73870384      -1.02646019       0.25825379 
O       5.19528050       0.86647686       1.82857829       0.15341879       0.30535593       0.48660214 
O       7.05801242       6.50141061       5.42981894       0.37666629      -0.32494823      -0.49219644 
O       1.74044749       6.50005998       5.34712159       1.94618437      -0.52171925       0.34122464 
O       1.45749972       6.57045038       7.97508180       0.36787012       0.12615911       0.33075724 
O       1.02816035       9.13825779       7.73243869      -0.30281080      -0.28975883       0.23830815 
O       6.98716200       3.81798218       2.48023032       0.40088350       0.09697392       0.11241826 
O      -1.36477987       6.90911219       9.79313042       0.55144628      -0.26558529      -0.05985688 
O       3.37689102       9.44913293       8.54645371       0.56581349       0.17667289       0.60845370 
O      -0.98001280       6.23507254       7.26290241       0.68373180       0.38034678      -0.70284520 
O       1.46711407       9.11074034       5.03082737       0.12397857      -0.45772203       1.07035477 
O       2.70974017       6.46578021       0.06760088       1.14754966       0.10273150       0.82145173 
O       2.46774845       6.38660564       2.80710807      -0.50150027       1.43907766      -0.24595265 
O       1.98392723       9.02531736       2.50079372      -0.38293850      -0.02925538       0.07069651 
O      -0.47097720       6.84479678       4.52917011      -0.82678296       0.67108565      -0.02611577 
O       3.82050599       8.73239488       5.93628526      -0.28802700       0.07797117      -0.10688111 
O       5.78394948       9.13863132      10.28774274      -0.40265052       0.12275518       0.66217945 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007957359815695047 -0.003969393834260598 0.00016568468579166527 -0.003969393834260598 -0.0027520458248843772 0.0007848108464921623 0.00016568468579166527 0.0007848108464921623 -0.0027647517024609928" pbc="T T T" energy=-972.6139625 free_energy=-972.6139625 config_type=crystal 
Hf       0.85312832       0.26741493       3.68187695      -0.55724212      -1.86802995       0.54113675 
Hf      -0.14927205       5.48080536       8.93927503       0.23237856      -0.16088748       0.51846208 
Hf       0.43326575       7.53624922       6.30918834      -0.80306667       0.05732519       0.45812482 
Hf       5.93130519       5.42106448       3.71480920      -0.83647172       0.34827207       0.50355288 
Hf       8.69161408      10.27011807       1.64851972      -1.90237366      -1.85824610      -0.71619608 
Hf       8.17708410       7.99761761       4.30830616       0.48832005       0.23263673      -1.08165060 
Hf       6.38285358       7.63330497       1.10559904      -0.11953881       0.03112548      -0.41898394 
Hf       1.20439049       7.65364065       1.08407326      -0.16944205      -0.81869304      -0.32058700 
Hf       2.99535669       7.96514575       4.08150392      -0.13749728      -0.00309887       1.58448202 
Hf       3.43930021      10.22745375       1.49877644       0.40958763      -1.14692277      -0.04324661 
Hf       0.74094750       5.38843709       3.66615947       0.29045928       0.80248650       0.70038963 
Hf       5.33974815       2.38005830       6.28231545       1.73279715      -0.87847702       1.02630942 
Hf       2.53599954      10.12444904       6.76036299       0.81416618       0.50023733      -0.08156394 
Hf       5.94711326       0.12540972       3.73597765       0.12648704       0.20011989      -0.34253840 
Hf       5.03129409       5.40907731       8.90864125       0.23854561       1.11176761       0.71739871 
Hf       7.82709265      10.20517124       6.79567845      -1.64303550      -0.73026657       0.29493899 
Hf       7.24258323       2.84423997       9.41780979       0.09810346      -0.15518701       0.31795149 
Hf       2.15426524       2.82528620       9.46331355      -0.69246058      -0.90243496      -1.11000470 
Hf       3.46569955       5.00753520       1.45064942      -0.27582628      -0.00197163       1.10651961 
Hf       2.97928204       2.83691886       4.12400314       0.03459675       0.42045274      -0.18978659 
Hf       1.23253973       2.40899361       1.08139656      -0.36409147       0.11322335      -0.51791563 
Hf       5.08195227       0.14858548       8.91793333      -0.12308095       0.83385259       0.17031024 
Hf       7.70356697       4.91231084       6.85222232       0.85907214       1.88565111      -1.04893225 
Hf       0.36228296       2.32074416       6.28128052       0.45806003       1.22799727       0.78109343 
Hf       8.12720969       2.79126266       4.20434764       0.50390760       0.38324362      -0.28204783 
Hf       6.38244607       2.24615420       1.08449497       0.27428378       1.56160569      -0.27363042 
Hf       5.50036032       7.53885729       6.33705584      -0.39654844       0.78451757       0.60107538 
Hf       7.19049498       8.05251474       9.46872367       0.75136420      -0.50033429      -0.90894162 
Hf      -0.06801472       0.24289258       8.98357311      -0.43628873      -0.40017144      -0.90196039 
Hf       2.50105214       4.86262861       6.84995587       0.47358230       2.16963554      -1.04724081 
Hf       8.55772964       4.99578305       1.57299468       0.28856144       0.53107688      -0.47578574 
Hf       2.13095642       8.06201126       9.38011269       0.32059730      -0.64364016       0.18672258 
O       8.96673037       3.48894719       6.10468567      -0.37557105      -0.75295412      -0.44230848 
O       3.90567379       1.73513797       9.65593146      -0.17170408      -0.14109192       0.53627823 
O       6.13849514       3.95263625       7.76607606      -0.63511895      -1.67950027       0.07120408 
O       8.41398303       4.43327812       8.72709559      -0.36572331      -1.51571651       0.53878269 
O       4.32066613       0.81902646       7.09727962      -0.08663637       0.74031029      -1.11491372 
O       6.61888443       3.95383685       5.17906760      -0.52797995      -0.30465950      -0.31313871 
O       6.66773714       1.33307240       8.04322125      -0.12024860       0.81270935      -0.55362600 
O       9.37040434       9.52934103       3.50623493       0.04261424       0.21676521       0.11309255 
O       5.67216329       4.00507763      10.38225063       0.22383802      -0.62627724       0.16250782 
O       6.64978942       6.57497754       7.95745562      -0.36024228       0.09106122       0.79773478 
O       6.10172214       9.09440264       7.78769235       0.31431954      -0.62814284      -0.76070445 
O       3.84330233       6.93902845       9.69679333      -0.13476206      -0.28070836      -0.28732216 
O       9.00960155       8.73303232       6.12483870      -0.63762641      -0.60052480      -0.52440394 
O       8.37390426       9.57033271       8.71326002       1.27524614       0.30574730       0.27593884 
O       4.38237407       6.01076071       7.00329108      -1.32797575      -0.84928918       0.68577404 
O       7.15680003       1.16538436       5.28830466      -0.67121546       0.96624546       0.29799927 
O       6.54824772       9.09873041       5.15973560       0.33179990      -0.05781284       0.05443096 
O       7.41172855       6.56724529       2.81902246       0.56146786       0.26888228      -0.37776543 
O       7.03030005       9.10782732       2.49966554      -0.07954551      -0.26173347       0.36458661 
O       4.66691611       6.84926201       4.54583685       0.74614392      -0.04889863      -1.01451899 
O       9.78629734       8.75066008       0.90142756      -0.20585346      -0.43113890      -1.05524094 
O       8.02672334       1.28529730       0.18097412      -0.29651220       0.07648363      -0.51571178 
O       5.17538322       6.12059424       1.80203596      -0.40977990      -0.43160756       0.09629212 
O       7.97116291       6.49835400       0.14107935      -0.39926531       0.03158877       0.31943698 
O       7.51103471       1.32304098       2.72355135      -0.13901407       0.82826962       0.74129981 
O       0.47387404       9.10690850      10.40205231       0.43392654       0.90662834      -0.70308089 
O       4.72988510       1.75608200       4.42360437       0.27719558      -0.38769971      -0.34493703 
O       1.94667882       1.24209580       5.33542456       0.33159139      -0.24190002      -0.72356055 
O       1.51575758       1.34172845       7.92490906      -0.20050987       0.25028647       0.60304692 
O       0.99212607       3.83843288       7.81865732      -0.34476860      -0.26011483       0.14003649 
O      -1.25437702       1.74520866       9.63195568      -0.71750706       0.64765301       0.33257482 
O       3.70215896       3.40536745       6.03655010      -0.08452822       0.36572454       0.35109020 
O       3.31279561       4.27614246       8.67796083       0.48979395       0.47434213      -0.07778201 
O      -0.75382963       0.82702054       6.93649487      -0.23538993      -0.13446261       0.97705696 
O       1.43185996       3.93692145       5.21936181      -0.08303212      -0.18705291      -1.01141993 
O       2.80078686       1.28392059       0.02921662       0.45230668      -0.72480132       0.56470701 
O       2.43242345       1.33935894       2.59708115      -0.27159562       0.41377857       1.18619403 
O       1.85961370       3.81738723       2.50024307      -0.47033332       0.47694125       0.49689487 
O      -0.29869580       1.76846837       4.32504588      -0.97825586       0.90581758       0.61361049 
O       4.62264177       3.39874852       0.78939177       0.39072515       0.68714294       1.04662067 
O       3.99232998       4.48622353       3.49436370       1.36113513      -0.48163790      -0.43392689 
O       0.01714337       0.87335939       1.84680909       2.10142706       1.45963663      -0.09736425 
O       2.26681689       3.89145497       0.00061827       0.54239106       0.89396763      -1.20355630 
O      -0.02440919       6.22522430       1.82820878      -0.59236923      -1.50018467       0.87585115 
O       4.23215249       9.39329133       3.37962339       0.09180376       0.80208348      -0.10430962 
O       4.65832410       8.78937235       0.71771132       0.18544581      -0.52305324       0.24863890 
O       9.76776266       3.48002816       0.90257989       0.00071564      -0.12678210      -0.43522427 
O       9.27123213       4.40277346       3.52774233       0.16907725      -0.49495738      -0.57162646 
O       5.23204164       0.81432911       1.85180538      -0.70658757       0.15880808      -0.31269999 
O       7.14533049       6.52905711       5.44032551      -0.69321171      -0.93115408      -0.32775046 
O       1.91960957       6.45026501       5.36904702       0.36426628      -0.73831171      -0.66772135 
O       1.47042099       6.53039912       7.90756598       0.52258116       0.28552496       0.87094572 
O       1.04243788       9.13852700       7.74109359      -0.90516589      -1.16703314       0.56915935 
O       7.01239736       3.92860506       2.54479842      -0.50996473      -1.22262171      -0.15252703 
O      -1.37496854       6.86926956       9.73171113       0.08262949       0.93123728       0.26382238 
O       3.31520178       9.51312884       8.66202084       0.08152712       0.12486071      -0.09697177 
O      -0.83906254       6.06681957       7.11584413      -0.16202107       0.21114209      -0.30637991 
O       1.31832601       9.05751584       5.08662024       1.09506286       0.74850202      -0.28923823 
O       2.81915800       6.47581131       0.05356905       0.09530646      -0.19677658       0.20729883 
O       2.30678153       6.58967856       2.67629893       0.22936829      -0.61045785      -0.16487941 
O       1.83848689       9.08546896       2.48561628       0.65715952       0.61567395       0.10080420 
O      -0.45425730       6.80517474       4.55594681       0.01448757       0.34049646      -0.45266111 
O       3.68553416       8.65264198       6.05957284       0.46030986      -0.29784931      -0.35716250 
O       5.61875059       9.11617467      10.28949801       0.09137530      -0.18202929       1.50773242 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.001250154367500305 0.0008970974930855763 -0.0024581592309301536 0.0008970974930855763 -0.004386414574250165 -0.0019529598169006064 -0.0024581592309301536 -0.0019529598169006064 -0.001806982022090932" pbc="T T T" energy=-973.11388995 free_energy=-973.11388995 config_type=crystal 
Hf       0.77608809       0.18827049       3.68859922       0.30867459       1.06108610      -1.02074441 
Hf      -0.05189927       5.37439201       9.01344003      -0.60879539       0.41451155      -1.36325467 
Hf       0.26904622       7.61739275       6.35688504       0.38033748      -0.53791731      -0.28897201 
Hf       5.97360698       5.40139763       3.75844071      -0.10875130       0.57330817       0.62069711 
Hf       8.54637831      10.11468361       1.50346222       1.79004303       0.23358162      -0.17915965 
Hf       8.16455635       8.03370487       4.12825725      -0.02479049       0.19696502       0.44703258 
Hf       6.36099161       7.54491171       1.10556660       0.84786793       0.99635879      -0.00807312 
Hf       1.25596525       7.54013779       1.00080362      -0.36616437       1.39121829       1.09417458 
Hf       3.03197898       8.00204325       4.15170747      -0.60780709       0.32345565       0.04318752 
Hf       3.47056751      10.15900435       1.49184553      -0.50402157       0.29597559       0.05127661 
Hf       0.81767798       5.46714804       3.71769382      -0.66761358      -0.41435549       0.19129256 
Hf       5.60393599       2.38582949       6.37214859      -1.48000080       0.89103049       0.49126456 
Hf       2.69190827      10.18662415       6.70949479      -1.81957612       0.06737035      -0.11614541 
Hf       5.91260561       0.27682064       3.72439760      -0.16813958      -1.34327335      -0.12900302 
Hf       4.92571199       5.37503298       9.08487152       1.18149812      -0.95533487      -2.54806159 
Hf       7.55621458      10.10928398       6.79764962       1.32524634       0.54260811      -0.20126964 
Hf       7.23943232       2.79051674       9.46545053       1.22069074       0.58645309      -0.92435271 
Hf       2.10599601       2.74461844       9.42275210      -0.02950526       1.01995416      -0.78003500 
Hf       3.51517876       4.99245597       1.58822189      -1.06198345       0.35441665      -0.23509409 
Hf       3.10841593       2.82094056       4.14087790      -1.77454265       0.05836110       0.79751226 
Hf       1.22970109       2.46770013       1.06533203       0.02009383      -2.01552491       0.83625862 
Hf       4.96702623       0.26749867       8.99280985       1.50613158      -0.84382460       0.05966792 
Hf       7.69269423       5.00116387       6.80249323       0.95958191      -0.26319951       0.93583090 
Hf       0.33945462       2.37587060       6.32934978      -0.16652540      -0.28678745      -0.00139190 
Hf       8.13575739       2.79497926       4.18351038       1.37792889       0.55897947       0.29899965 
Hf       6.40546544       2.46414987       1.12994150      -0.54834661      -1.67863237      -0.52755822 
Hf       5.42998620       7.49410265       6.39296369       0.39072848       0.58485859      -0.21287139 
Hf       7.25696259       7.96718527       9.37900194       0.22842019       0.68393291       0.56647716 
Hf      -0.12782493       0.24527581       8.88077543      -0.07330413      -0.43894473      -0.13076427 
Hf       2.50649280       4.99789415       6.71943223       1.23066786      -0.57128156       1.07018542 
Hf       8.61086625       5.00568874       1.55308242       0.48455515       0.40677429       0.64532707 
Hf       2.13855215       8.00915603       9.36788875      -0.53619222       0.64565359      -0.35779358 
O       8.93339857       3.52569466       6.15172913      -0.14653553      -0.80254304      -1.03890658 
O       3.88919257       1.76180954       9.70449624      -0.24451059       0.45599832       0.19501234 
O       6.19791720       3.86459866       7.86022021      -0.44925364      -0.70259810      -0.36178137 
O       8.48603267       4.38640012       8.73652805      -0.72354400      -0.65679587       0.55367762 
O       4.38023840       0.82968306       7.04954879       0.34054287       0.79502422      -0.27220397 
O       6.56236710       3.94305443       5.18824280       0.25214684      -0.63002995      -0.38333110 
O       6.68700189       1.34406440       7.94142690      -0.62417884       0.38894438       1.18406186 
O       9.37744487       9.47927643       3.30005321      -0.39754067      -0.63524699       1.24485941 
O       5.64317862       3.95153696      10.44957660       0.49238953      -0.33124669       0.16445097 
O       6.61242178       6.49366060       7.98956725      -0.22501457       0.52340157       0.39424187 
O       6.02190126       9.10352584       7.73544532      -0.04393467      -1.08282117       0.37652595 
O       3.84078418       6.85313842       9.67741597      -0.89318377       1.37213743       0.97029825 
O       8.84495286       8.71849713       6.00860069       0.12573583      -0.12155763       0.26892744 
O       8.35024406       9.53012539       8.64534864       0.79292463      -0.07868001       0.22583125 
O       4.27709283       6.05983252       7.09977886      -0.58735818      -0.56799921       0.75692352 
O       7.11825902       1.24361435       5.42002200      -0.52079171       0.36405822      -1.00266815 
O       6.43503159       9.10538934       5.12841729       0.72243767       0.16083188      -0.23111080 
O       7.54745356       6.53966924       2.76675832      -0.40396796      -0.12403653      -0.12896689 
O       7.04867419       9.05340752       2.52894316      -0.82976261      -0.33867269      -0.16009797 
O       4.63959318       6.77074930       4.63060125       0.55821013       0.15656464      -1.64056453 
O       9.76529876       8.60305087       0.77074462       0.05613715       0.09684883      -0.04948148 
O       8.00270977       1.26074171       0.17821509      -0.42701779       0.96700106      -0.67674911 
O       5.26956071       6.03849428       1.85054940      -0.56114491       0.07563092       0.06890072 
O       7.96190403       6.49175668       0.16281367      -0.12133467      -0.44062068      -0.19500138 
O       7.47247042       1.37323297       2.77710958       0.11179432       0.00419711      -0.03598931 
O       0.53177743       9.05013146      10.29012952       0.45912113       0.77997633      -0.21678302 
O       4.75574485       1.75248166       4.44230843       1.03456985      -0.22325173       0.15204455 
O       1.93686983       1.19396557       5.29964592       0.15679569       1.07783079       0.47701771 
O       1.48079954       1.42058643       7.90823980       0.04121239      -0.75086520       0.09219344 
O       1.04620674       3.88390154       7.88254078      -0.41660923       0.01176766      -1.47898987 
O      -1.21329783       1.76787031       9.66657800      -1.17008761       0.38204681       0.13130842 
O       3.82958048       3.52799922       6.06812452       0.02724100      -0.52554262      -0.14657325 
O       3.33995710       4.21932428       8.63492712       0.14285027       0.45835670       0.37762089 
O      -0.91085114       0.91908116       7.08366445       0.31467528      -0.22209692      -0.23473361 
O       1.52233257       3.93920908       5.11115023      -0.65810243       0.12029675       0.43669859 
O       1.06681883       1.21043678      10.47849689       0.10246444      -0.16414743       1.28425643 
O       2.35433031       1.36502505       2.73953754       0.53861299      -0.07228609      -0.79212917 
O       1.88736034       3.84725757       2.55956508       0.43871922       0.62713671      -0.63340717 
O      -0.41633665       1.72912438       4.43306098      -0.16370534       0.12714182       0.20086362 
O       4.66692415       3.57669345       0.77925640       0.39331207      -0.91926337       0.29289988 
O       4.19882570       4.40770854       3.50783973       0.24561075      -0.36210752      -0.81233510 
O       0.06281937       0.79579075       1.78186507       0.00029727       1.01745730      -0.64598141 
O       0.47697727       3.90076956      10.36083342       0.75781167      -0.08666186       1.14741446 
O       0.07538902       6.10976547       1.88975228      -0.60172820      -0.34742935      -0.67039330 
O       4.14048327       9.59102582       3.53931734       0.42226892      -0.09106656      -0.80295812 
O       4.68352273       8.66328861       0.78964568      -0.17061842      -0.19046411       0.09288891 
O       9.82258148       3.53073956       0.86178869      -0.39850419      -0.34101827      -0.50072448 
O       9.29754403       4.36717059       3.44224279       0.21397422      -0.28184433       0.39508741 
O       5.24816619       0.79706865       1.74058034      -0.11158305       0.69341403       0.44777618 
O       7.09380614       6.39668319       5.36225765      -0.54341658       0.85580568      -0.18145229 
O       1.89054857       6.51011415       5.33349939      -0.18993875      -0.24682571       0.12094192 
O       1.46974415       6.58105108       7.98229686       0.12336436      -0.29459804      -0.06154186 
O       1.09269256       9.09040030       7.63389406      -0.53296751       0.18527737       0.78646986 
O       7.02051208       3.84532580       2.49852160      -0.07472197       0.73322662       0.91334002 
O      -1.19171137       7.01195118       9.64143687      -0.87961211      -0.63872393      -0.64197081 
O       3.31396108       9.60257162       8.70270535      -0.52962202      -0.71492562       0.17877055 
O      -0.79907812       5.97181186       7.02207338       0.31611060       1.08806417       0.27168675 
O       1.40700752       9.19613600       5.04404267       0.47561248      -1.63500854       0.30801083 
O       2.83400408       6.47111501       0.10343948       0.83756540      -0.98016053       0.16815686 
O       2.39988814       6.54320589       2.68204537       0.18495268      -0.01775313       0.66052239 
O       1.91628831       9.06427774       2.38187995       0.07871784      -0.29243361       0.53874653 
O      -0.44422910       6.92570601       4.50693754       0.21854348      -0.12604440      -0.66705951 
O       3.66297340       8.57306666       6.08474915       0.61168906       0.03650470       0.08270402 
O       5.71281110       9.13646328      10.38711712      -0.73237230      -0.08337091      -0.40060457 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0021147502878354324 0.0006661870458870199 0.0020682563813379045 0.0006661870458870199 4.289885965611015e-05 -0.00024323478756381565 0.0020682563813379045 -0.00024323478756381565 0.0009668589466912287" pbc="T T T" energy=-973.1227481 free_energy=-973.1227481 config_type=crystal 
Hf       0.76765936       0.21841066       3.79331998       0.26221064      -0.40530504      -0.77078433 
Hf      -0.11864776       5.39108526       8.94998626      -0.04001698       0.03369919      -0.16527097 
Hf       0.31915074       7.55548228       6.37334145       0.71580673      -0.60920283      -0.34878868 
Hf       5.88780876       5.41168776       3.64146062       1.49818033      -0.12775669      -0.29583676 
Hf       8.59934958      10.20228658       1.57671052       0.14078149      -0.14263701      -0.10745860 
Hf       8.18799620       7.96862266       4.23991049      -0.49094231       0.03835333      -1.11558067 
Hf       6.42004741       7.61307496       1.07744676       0.19010138      -0.37230078       0.07148678 
Hf       1.28847683       7.62727226       1.08297606      -0.95811920      -0.01890077       1.00727902 
Hf       3.01016439       8.02014658       4.11893945      -1.02057701      -0.27046068       0.04031010 
Hf       3.50920624      10.23317890       1.58579258      -0.99916996       0.62729486       0.06631955 
Hf       0.82132442       5.36743342       3.64878342      -0.69681655       1.44972642       0.42269497 
Hf       5.51697348       2.40201050       6.31537676      -1.09321656      -1.63565094      -1.05243377 
Hf       2.61492339      10.07778653       6.80402106      -0.43265597       1.56354250       0.10637660 
Hf       5.91851983       0.23773765       3.73807756       0.33833493       0.48791486       0.35402022 
Hf       5.09517172       5.40818842       8.94131393      -1.10382624       0.86880837       0.54678840 
Hf       7.66198623      10.12653416       6.87703898      -0.30460463       0.03347821      -0.32648915 
Hf       7.21392440       2.81401387       9.43113210       1.28700545      -0.89217394       0.27288565 
Hf       2.13453429       2.78259154       9.34889813      -0.59221394       0.21476161       0.01916455 
Hf       3.51588205       4.95641069       1.46507985      -0.13786689       0.37512631       0.27480752 
Hf       2.93695514       2.90351587       4.13223361       1.05289890      -1.49062046       0.41915977 
Hf       1.20446219       2.35800978       1.03787741       0.17698619      -0.03536300      -0.27239546 
Hf       5.02977073       0.24228080       8.94311688       0.49919833      -0.79812948       0.81642142 
Hf       7.66364077       4.94883595       6.80596504       0.85916316       0.74159255      -0.59171784 
Hf       0.26756000       2.32721274       6.30162351       0.68789490       0.52917280       0.98989329 
Hf       8.13849030       2.84426979       4.19576939      -0.30177034       0.18754188      -0.85987556 
Hf       6.35519207       2.42388322       1.06195011       1.16780960      -0.32667614       0.98714633 
Hf       5.41984977       7.58319819       6.25439923       0.80136269      -0.61137744       1.37271517 
Hf       7.33636241       8.00322671       9.47460998      -1.56750813       0.36219136      -0.24875091 
Hf      -0.05604521       0.18701503       8.89056534      -1.09391783       0.70485406       1.34364645 
Hf       2.59783842       4.97536788       6.78115646      -0.64466172      -0.21749887       0.38504580 
Hf       8.64337986       5.02238719       1.53715639      -0.59854282       0.36682400       0.17793519 
Hf       2.07589533       7.99888803       9.54688771       1.36746336      -0.19300977      -1.41230696 
O       8.94355940       3.59142772       5.99649026      -0.49062166      -0.60966594       0.09591634 
O       3.77265760       1.62874654       9.69356009       0.45524368       0.32612345       0.05899910 
O       6.15464517       3.74555258       7.68238114      -0.05795408       1.06291427       1.23633452 
O       8.40759524       4.30245693       8.66032877       0.16101723      -0.00949012       0.19808568 
O       4.33780437       0.83497328       7.09285194       0.04119564       0.31622129      -0.54714503 
O       6.48074607       3.85278718       5.10456868       0.76140783       0.72435720      -0.03030420 
O       6.73354636       1.24659033       8.06802563      -1.07485239       0.65215223      -0.15670239 
O       9.26035665       9.58785065       3.56107224       0.26512839       0.02786148      -0.42560132 
O       5.64565718       3.92026643      10.33795055       0.43718162       0.36145029      -0.11722638 
O       6.65575295       6.51610197       8.02312513      -0.18354775      -0.72797791      -0.66502709 
O       6.14879680       8.96908290       7.81337552      -0.41562169       0.10492766      -0.33477002 
O       3.82576639       6.87039650       9.66709883      -0.10946331       0.62068058       0.56633053 
O       8.87236444       8.58552411       6.16855033      -0.57489214       0.30469662      -0.22660456 
O       8.39252665       9.57770411       8.85282592       0.91592823       0.04137487      -1.25618052 
O       4.24281875       6.09761163       7.13282777       0.53651622       0.04057762      -0.72000631 
O       7.07993206       1.23049306       5.38689602      -0.30201185      -0.20425439       0.26119336 
O       6.38057723       9.07139021       5.20116860       1.41930339       0.77789260      -0.54329945 
O       7.59247727       6.59252696       2.63938895      -0.67352659      -0.13707042       1.19684238 
O       6.99258474       9.02002974       2.53545153       0.07778731       0.93279646       0.28360070 
O       4.70204289       6.89877364       4.32335339      -0.07735308       0.38185366       0.54549407 
O       9.78514947       8.66503085       0.87808686       0.06803826       0.21668914      -0.06382851 
O       7.96144574       1.36206215       0.21605594      -0.01803824      -0.54392774      -0.67253369 
O       5.29466625       6.00162244       1.69242434      -0.72143929       0.06445498       0.51985006 
O       7.95762485       6.48813119       0.12969871       0.12559712      -0.38003277      -0.65562957 
O       7.46843421       1.44316547       2.78842071       0.08692098      -0.97679353      -0.30057196 
O       0.59913126       9.16898740      10.47177347      -0.67619420       0.37693710      -0.70554140 
O       4.71232103       1.71775625       4.42722990      -0.28288484       0.26420093       0.25286655 
O       1.94414366       1.31561307       5.44182510      -0.28130782      -0.46532124      -1.01125000 
O       1.39188457       1.30722041       7.93369837       0.75504725       0.32532941      -0.05811825 
O       0.93560452       3.81383573       7.76773630       0.60613846       0.31083959      -0.04254267 
O      -1.33208191       1.63118857       9.73542981      -0.33714611       1.02088473      -0.32305836 
O       3.78275777       3.51095903       6.00975523      -0.48032789       0.26363705      -0.20042583 
O       3.38840436       4.22372768       8.60968162      -0.21516666       0.13048479       0.01502974 
O      -0.95488684       0.89272192       7.06260458       0.45825595      -0.25235521       0.31533651 
O       1.33175431       3.95895937       5.10465047       0.95259394      -0.38983119       0.10930105 
O       1.01519012       1.31343890      10.48382174       0.33922097      -0.38913342       1.14428815 
O       2.31511312       1.38134727       2.70756326       0.26364469       0.04833422       0.50792574 
O       1.84520426       3.89272290       2.47953476       0.64273550       0.04775398       0.18519520 
O      -0.48344723       1.63388870       4.49037979       0.13649956       0.61068844      -0.16173410 
O       4.72996903       3.47483031       0.73251493      -1.79373172       0.93205072      -0.34807318 
O       4.27355442       4.26841416       3.37581850      -1.16335893      -0.05826288      -0.41529057 
O       0.07927805       0.86279246       1.74121069      -0.78673934      -0.55448507       1.28480104 
O       0.51943119       4.02806855      10.42056968       0.64650777      -0.63567211      -0.34544841 
O      -0.00606771       6.25273136       1.82013761       0.27076379      -1.32131187       0.21676903 
O       4.16790024       9.59504551       3.50328773      -0.41034011      -0.25584587      -0.32317445 
O       4.56795656       8.65267368       0.98852382       1.14109129      -0.72182378      -0.79747974 
O       9.83501512       3.56888555       0.82195020       0.00747158      -0.54099383      -0.71598559 
O       9.36619448       4.30575127       3.42202549      -0.13529199       0.00835654      -0.38975427 
O       5.15922068       0.98995409       1.85839974      -0.35162073      -0.92592601      -0.04013539 
O       7.02134289       6.40298948       5.29900538      -0.06438366      -0.04758149       0.37658908 
O       1.96523963       6.47274597       5.36256889      -0.39136334      -0.27284035       0.03987383 
O       1.44738803       6.54324402       8.09227547       0.06340890       0.00506106      -0.65935740 
O       1.00689456       9.08043611       7.73000823      -0.50713822      -0.64566382       0.94532079 
O       6.98648845       3.91214164       2.47202863       0.62238507       0.13361800       0.16412770 
O      -1.28980900       6.92829049       9.64393076       0.84527000      -0.22322047       0.43898801 
O       3.31648075       9.53178908       8.71618023      -0.47235442      -0.72785019       0.11961422 
O      -0.80194029       6.00264028       7.03083716      -0.58157093      -0.01811509       0.14729058 
O       1.39583641       9.11743553       5.22293306       0.05507976       0.52519022      -0.91026430 
O       2.81870218       6.52062944       0.14267271       0.18217848      -0.58889549       0.07938504 
O       2.40111639       6.51872926       2.72342167       0.10934206       0.12581998      -0.23474298 
O       1.78427090       9.07174400       2.57897614       0.78602012      -0.06817209      -0.09501631 
O      -0.41162263       6.89899537       4.39355232       0.28828130       0.22073473       0.77939776 
O       3.67566196       8.56810332       6.05854893       0.56385572       0.01113613      -0.10418293 
O       5.71990201       9.19916851      10.40282526      -0.43311886      -0.12867475       0.38268910 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0019077334984914543 0.00023325345979234002 0.002315140573046115 0.00023325345979234002 -0.0012810591562465521 0.0004020220690015951 0.002315140573046115 0.0004020220690015951 0.005251334628637218" pbc="T T T" energy=-972.84374129 free_energy=-972.84374129 config_type=crystal 
Hf       0.76162158       0.23773900       3.62850080       0.69599844      -0.77108603       0.37999031 
Hf      -0.10131352       5.45087975       9.00850665      -0.50342061       0.16369842       0.04087996 
Hf       0.37162103       7.59807044       6.28239526      -0.47169191      -0.12809414      -0.42513803 
Hf       5.95548045       5.46012057       3.73921120       0.17037422      -1.16775527       0.29709010 
Hf       8.63571225      10.13604294       1.55175305       0.57619463       0.50283167      -0.20159425 
Hf       8.10399433       8.04708892       4.18526944       1.54141478      -0.97804559       0.38775253 
Hf       6.34169704       7.59791355       1.08142817       0.42616481      -0.31214075       0.19234190 
Hf       1.26003769       7.56852938       1.07671550      -1.20460398      -0.43887952       0.23265425 
Hf       3.08139750       8.03128373       4.03065588      -1.92194649      -0.97241694       1.12336880 
Hf       3.50770223      10.18560299       1.48616870      -0.66017163       0.26075579      -0.13647597 
Hf       0.78114154       5.38700489       3.75824676      -0.36972890       0.49150042      -0.64308373 
Hf       5.44652685       2.37830754       6.26978090      -0.08167698       0.07429611       0.64186415 
Hf       2.54403574      10.20326919       6.73849195       0.48143529      -0.62512834      -0.32592741 
Hf       5.89597864       0.15058458       3.71857524       0.80195143       1.46893860      -0.44889663 
Hf       5.04985410       5.38983521       8.98822288      -0.61574795      -0.63160346      -0.04542575 
Hf       7.70032455      10.18347755       6.79646915      -0.02054498      -0.02844227      -0.89593376 
Hf       7.28776393       2.84109243       9.48335445      -0.81471924      -0.08443429       0.16630962 
Hf       2.14641770       2.72085126       9.49872163       0.18865148       0.57101795      -0.30123378 
Hf       3.45930369       4.98416493       1.53996509      -0.21763227      -0.09338040       1.22582774 
Hf       2.99363565       2.81058673       4.15332813      -0.72731673       1.04347696      -0.01456398 
Hf       1.26457640       2.41469477       1.09376331      -0.27800513       0.39941381       0.56457276 
Hf       5.17415869       0.18825781       8.93191454      -1.65920656       1.11707397       0.07821856 
Hf       7.75881480       4.95142521       6.86869102       0.12791545       0.15970909      -0.69545686 
Hf       0.34351126       2.34986545       6.31065338      -0.05078051       0.28025153       0.31226370 
Hf       8.15176765       2.84941683       4.18468162       0.60587885      -0.26895991      -0.64126338 
Hf       6.43776528       2.39121083       1.09459768      -0.14696078      -0.90196286       0.52371764 
Hf       5.42114366       7.51954142       6.37627553      -0.42446351       0.18894537      -1.03645081 
Hf       7.17877018       8.02092574       9.35957754       2.14872676      -0.92845844       1.28254774 
Hf      -0.17027502       0.24875614       8.93087414       0.37069066      -0.28146182       0.40338975 
Hf       2.46458004       4.91630061       6.88328588       0.23918355       0.36715738      -0.99936010 
Hf       8.51092351       5.02203257       1.54824963       2.22878210      -0.48966993       1.59043225 
Hf       2.17118253       8.01574629       9.37199774      -0.71865434       0.72166630      -0.20409675 
O       8.93454719       3.38120742       6.19617516      -1.48021576       0.70295276      -0.80026514 
O       3.89367993       1.62686558       9.76053188      -0.32775827       0.24283511      -0.94115370 
O       6.02829196       3.84689588       7.88446396       0.77223483      -0.37169177      -1.07229215 
O       8.41104906       4.37195553       8.81984652       0.13669969       0.45846654      -0.58660321 
O       4.39095063       0.79959993       6.96745689      -0.39961920       0.33656051       0.51474548 
O       6.62361366       3.96950064       5.11821944      -0.38525493      -0.34906545       1.05938400 
O       6.65109527       1.34012066       7.98382963      -0.03123199       0.27956975      -0.24314364 
O       9.36265887       9.51764810       3.45940211      -0.38710131      -0.15512280      -0.92447531 
O       5.67603125       3.97978973      10.49031498      -0.19263005      -0.51760619      -0.50358610 
O       6.57209191       6.47773082       7.95124442      -0.23049310       0.60472548       0.53811200 
O       6.11470877       9.03348236       7.77398132      -0.08892786      -0.59042814      -0.39055323 
O       3.88059424       6.90663390       9.73223112      -0.25556001       0.09290139      -0.31336767 
O       8.96025277       8.76604292       5.98945729      -0.45799093      -0.28177995       0.47757314 
O       8.36784826       9.59033123       8.77458207       0.03519284      -0.10364879      -0.61073468 
O       4.14780515       6.08828301       7.16137855       0.79869972       0.70182917      -0.23082325 
O       7.00635723       1.20741986       5.29021009      -0.24175199       0.69410630       0.60548907 
O       6.54606712       9.14340805       5.15848466      -0.10777515      -0.59526110       0.18934476 
O       7.63639572       6.43385541       2.89263796      -1.28779176       0.98997733      -1.14041090 
O       6.99440384       9.00481918       2.54783802       0.18853054      -0.00930910      -0.30068466 
O       4.77189243       6.89365486       4.45610221      -0.04438344       0.60670648       0.49876930 
O       9.86017357       8.66046972       0.83501167      -1.09066017       0.43944069      -0.45470235 
O       8.05854004       1.25778099       0.07509336      -0.49196655      -0.13622824       0.47288179 
O       5.21387226       6.09430128       1.80475908       0.06111078      -0.22244772       0.28822746 
O       7.99530842       6.43927363       0.17899518      -0.80119679       1.17809834      -1.16983900 
O       7.59037070       1.29928014       2.76466387      -0.72835997       0.28310020      -0.45381528 
O       0.63450961       9.16790380      10.39134382      -0.64948177       0.26097430      -0.82346474 
O       4.59912402       1.68593576       4.36927098       1.75279025      -0.54908744       0.37347862 
O       1.92222991       1.27227120       5.36141047      -0.07279596      -0.26362777      -0.34797055 
O       1.39249127       1.42914824       7.96518889       0.45126420      -0.47089219       0.10000973 
O       0.83153024       3.93179104       7.80375835       0.85918974      -0.48627555       0.15285217 
O      -1.33182191       1.79827366       9.66969468       1.33871244      -0.41381689       0.02541097 
O       3.72360107       3.49770486       6.09515691       0.15145566      -0.48830037      -0.12258652 
O       3.32259117       4.19456098       8.73506196      -0.13898375       0.75188672      -0.12194793 
O      -0.92889148       0.86781513       7.00322567       0.75577175       0.05045132       0.72870119 
O       1.33657038       3.88487813       5.16927570       0.42276707       0.02556650       0.32669765 
O       2.86454763       1.29474114       0.11846729      -0.62835511      -0.34444356      -0.41833850 
O       2.40127535       1.33119290       2.68354443      -0.12542037       0.01944378       0.25922073 
O       1.86599743       3.86078106       2.58269566       0.30074946      -0.41436597      -0.35943894 
O      -0.44967829       1.62758885       4.35465354       0.05175316       1.21961247       0.93136977 
O       4.60637737       3.35503343       0.87994735       0.55974280       0.54171890       0.42714779 
O       4.13878775       4.41332813       3.59009628       0.49125934      -0.08175562      -1.17568263 
O       0.10201829       0.86665142       1.67933915      -0.52532889      -0.94538770       0.91405773 
O       2.33542292       4.00608882       0.04803818       0.00558041      -0.27364734      -1.46470953 
O      -0.02686312       6.09068006       1.78353761       0.92149720       0.14847214       0.18096731 
O       4.25763388       9.44532957       3.35914851       0.25534537       0.52400281      -0.74026137 
O       4.64279840       8.66496010       0.73494372       0.95071845      -0.30934895       0.39550299 
O       9.82175538       3.47733583       1.01364500      -0.73218789      -0.19261929      -1.24394429 
O       9.29110918       4.42549548       3.53430047      -0.34700513      -1.27810163       0.20907729 
O       5.28074779       0.78596755       1.69950310       0.07080045      -0.00669678       1.01156119 
O       7.16258300       6.46503710       5.39544895      -1.38432612       0.21375235       0.65514230 
O       1.90480451       6.42859335       5.35813785       0.32919211      -0.39474861       0.46872367 
O       1.42571981       6.56810114       8.00059539       0.40052318       0.12900230       0.02657839 
O       0.91702253       9.18288245       7.72864378       0.47708980      -0.71143134      -0.18888503 
O       6.99203541       3.85192780       2.56148007      -0.23669893      -0.36953495      -0.20396334 
O      -1.31633533       6.97092988       9.60882762      -0.11404381       0.24853298       0.26573477 
O       3.35286491       9.47367304       8.56113878       0.24668720      -0.04287875       0.33017095 
O      -0.88219028       6.10486686       7.05783312       0.06089915      -0.22602219       0.31779361 
O       1.44109468       9.08977594       5.03908566      -0.19773627       0.52812430       0.16691219 
O       2.78477018       6.51392562       0.11848556       0.86552456      -0.67671233      -0.30886765 
O       2.35169267       6.46174514       2.70816789       0.35015197       0.58305060      -0.04822469 
O       1.90769104       9.02544277       2.46769703       0.36930953       0.19557150      -0.09020037 
O      -0.39564757       6.86905615       4.44371813      -0.56343009       1.22066101       0.47033331 
O       3.71557453       8.78000477       5.83739611       1.23660566      -0.74979696       1.56938219 
O       5.73999771       9.13192937      10.37482514      -0.63622743      -0.03116638       0.42641381 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003768006043544435 0.0017744502903683864 0.004876861963007868 0.0017744502903683864 0.0036735078227899706 -0.00043748338410406546 0.004876861963007868 -0.00043748338410406546 -0.01039516266420357" pbc="T T T" energy=-972.45107331 free_energy=-972.45107331 config_type=crystal 
Hf       0.82390830       0.19823291       3.75753766      -0.79637983       0.85551733      -0.71061211 
Hf      -0.08602127       5.41947820       8.97873234      -0.00241864       0.70715032       0.71214317 
Hf       0.34154874       7.58693942       6.39679189      -0.19820856      -0.85831391      -1.22585373 
Hf       5.92757404       5.37674801       3.71124972      -0.07958122       0.07425487       0.46722543 
Hf       8.62347604      10.23155251       1.53060865       0.11488623      -0.32635648       0.54740250 
Hf       8.17210608       7.97959782       4.12405302       0.40923541       0.12780159      -0.04390800 
Hf       6.45223120       7.65303292       1.09877146      -1.16088774      -2.00774506      -0.84715138 
Hf       1.24703852       7.63367403       1.04560258       0.01396322      -1.26611622       0.37336767 
Hf       2.96370742       8.00194548       4.11976731       1.14456436      -0.06855303      -0.44179286 
Hf       3.48343008      10.22977162       1.43763878      -0.64370855      -0.01728519       1.44511627 
Hf       0.77304981       5.44288660       3.62860255      -0.38193218       0.32437427       0.70138317 
Hf       5.45706603       2.37975771       6.30719102       0.18650951       0.73010449       0.72967935 
Hf       2.59038613      10.14737003       6.73454709       0.64969861       0.60829461       0.37260731 
Hf       5.85290060       0.27499506       3.75113671      -0.00186063      -0.97275086      -1.63745121 
Hf       5.01601697       5.38305304       9.00656803       0.17935871      -0.09010243       0.35787359 
Hf       7.75486170      10.13286195       6.72137222      -0.69649380       0.67622382       0.76823828 
Hf       7.27398296       2.82474403       9.37626412      -1.03889003       0.09027741       1.18144098 
Hf       2.13525724       2.80291942       9.39374350       0.27993864      -0.18010272       0.93279894 
Hf       3.50937277       4.90323482       1.52513102      -0.30689172       1.10289175      -0.81515473 
Hf       2.95453018       2.89505599       4.14896146      -0.21174736      -1.11010200      -0.07024690 
Hf       1.17545634       2.40989279       1.08303602       0.36002475      -0.70246941       0.92483887 
Hf       5.06269472       0.22620286       8.91675558      -0.01326193       0.63694435       0.10185354 
Hf       7.70782922       4.97670428       6.88292991      -1.07176328       0.80366483      -0.68061687 
Hf       0.32298051       2.36797813       6.44201539      -0.15898589      -0.35852221      -1.30193394 
Hf       8.09302833       2.77437115       4.25868995       1.29682563       0.58750117      -0.55394097 
Hf       6.41120618       2.33175984       1.10628011      -0.17316420       0.90365766      -0.45074971 
Hf       5.45014651       7.53885583       6.33431141      -0.28312768      -0.72972379      -0.23127562 
Hf       7.29495916       8.04560228       9.42408421      -0.26737819      -1.42919942      -0.06112013 
Hf      -0.11533901       0.20534507       8.95254494       0.02505213       0.04490174       0.89994103 
Hf       2.55522820       4.88271533       6.80751209       0.76123490       2.04510141      -0.71868865 
Hf       8.53849487       4.92708595       1.65754781       0.93041184       0.12402436      -1.17693378 
Hf       2.17702516       8.06557793       9.34401095       0.26353196      -1.60910986       1.11769063 
O       8.96220527       3.63451419       6.17357822       0.19316946      -1.35962201      -0.82028304 
O       3.82362966       1.71301048       9.65469995       0.50182381      -0.88866315       0.01708010 
O       6.03152897       3.92469623       7.79276361       1.01621863      -0.91845108      -0.57378448 
O       8.43451703       4.34449388       8.75722271       0.38601112      -0.21805680      -0.05490268 
O       4.27567983       0.95304111       7.03709751      -0.23364947      -0.65556032       0.65239444 
O       6.53603239       3.90369744       5.12683548       0.17462277      -0.02660812       0.97017519 
O       6.61582805       1.40160170       7.99830175      -0.19203809      -0.45017879      -0.38643179 
O       9.44536407       9.37010341       3.31017661      -0.54004096       0.14936189       0.45546074 
O       5.62767997       3.88187419      10.40065217       0.55041772       0.35017397       0.56642671 
O       6.43759591       6.53036504       8.07204546       1.50695881       1.11182467      -0.49774820 
O       6.12190045       9.12355635       7.74293329       0.88247065      -0.35664860      -0.81603358 
O       3.85084413       6.82650820       9.66519917      -0.70743949       1.47041884       1.02500155 
O       8.94488466       8.76733422       5.99511301       0.33240935      -0.26981225      -0.31253557 
O       8.57387561       9.34752000       8.57758332      -0.26911862       0.39282137      -0.39043952 
O       4.25229598       6.04297530       7.07462387      -0.14345682       0.71469254      -0.48272974 
O       7.06300660       1.31332107       5.37396770      -0.37796745      -0.88151275       0.40893092 
O       6.57599710       9.11798373       4.98613090       0.33807402      -0.01314058       1.12644993 
O       7.52061196       6.49181258       2.78492958      -0.33531478       0.27759739       0.03242910 
O       6.95279010       9.06917573       2.38686395       1.13997614       0.61323255       1.01565252 
O       4.64580489       6.68680621       4.47763870      -0.17305186       1.59253202       0.77474374 
O       9.84879130       8.80904243       0.74660577       0.39985648      -0.37393459      -0.45535709 
O       7.98116743       1.31349854       0.14027133      -0.21597501      -0.96786832      -0.41923264 
O       5.19181784       6.06776031       1.91903831       0.28375679       0.56493116      -1.21910402 
O       8.08177483       6.44428373       0.24603910      -1.21345574       0.39450634      -0.48685546 
O       7.44773043       1.32288523       2.70775280       0.36198850      -0.53527657       0.95866583 
O       0.53125157       9.02454380      10.36741046       0.04137688       1.29404228      -0.55696743 
O       4.65304000       1.65856222       4.47636414      -0.13107351       0.53337910       0.07106568 
O       1.93279443       1.27005328       5.45677605      -0.65085791       0.73332383      -0.89085246 
O       1.50737808       1.27451758       8.00336030      -0.32442218       0.23036357       0.18610898 
O       0.99960421       3.79939706       7.82824561      -0.50968632       0.29243159       0.01478593 
O      -1.45607265       1.56625452       9.67686038       0.80025839       0.45885099       0.98978646 
O       3.79951966       3.52657949       5.96085254      -0.24565661       0.06793443       0.17575905 
O       3.32075720       4.29474026       8.62119215      -0.61425653      -0.77400848       0.20513006 
O      -0.90322042       0.98313733       7.22048582      -0.36928705      -0.36832565      -0.67527109 
O       1.42245488       4.05380801       5.18076502      -0.04488092      -1.07457732      -0.11419958 
O       2.74618567       1.31876049       0.11240047       0.09542322      -0.83413900      -0.79300299 
O       2.38058708       1.36386768       2.73202669      -0.41737391       0.22117435       0.58321450 
O       1.80642908       3.88071847       2.52581042       0.26149928      -0.15920579       0.17466805 
O      -0.56915381       1.52597135       4.62370194       0.89384548       0.48154152       0.16731751 
O       4.72159228       3.45928716       0.72626793      -0.35207935       0.66671597       0.20653764 
O       4.17208737       4.21506685       3.29889857       0.94162264      -0.05054765       0.87771346 
O      -0.02525520       0.97714130       1.98022113       0.07308122      -0.06724323      -0.40951854 
O       2.32079025       3.88779468       0.00635201      -0.02946630       0.72246218      -1.44785363 
O      -0.02464333       6.07521150       1.80921815       0.44489419       0.41499768       0.48768788 
O       4.25277540       9.49026115       3.26449949      -0.37941932      -0.52622161       0.78291106 
O       4.65036271       8.80390598       0.73522692       1.36297480      -1.28343288      -1.10136131 
O       9.80093286       3.43756594       0.91309476      -1.16015298       0.60134857      -1.05270814 
O       9.33335380       4.30526470       3.48914386       0.19089640      -0.30781174       0.33728555 
O       5.11719427       0.98993892       1.79603330       0.02542686      -0.45284472       0.41909058 
O       7.16705999       6.43545499       5.39498451      -1.24652288       0.46649443       0.24501570 
O       1.90773266       6.57881468       5.27727327       0.10225935      -0.50300224       0.59106501 
O       1.47966743       6.50438858       7.87459288      -0.40759584       0.10530938       0.56870765 
O       1.04823008       9.06803010       7.80857287      -0.14911022      -0.12261371      -0.68611623 
O       7.03752219       3.72929332       2.69882415      -0.50295607       0.75921090      -1.81501092 
O      -1.34245265       6.80291579       9.79379049       0.15315031       0.54462147      -0.15079755 
O       3.47881851       9.39946275       8.54065339      -0.49882399       0.13541573       0.05338255 
O      -1.01444951       6.23162815       7.19723385       1.16398753       0.18824765       0.27585019 
O       1.46631042       9.16514891       5.17363050      -0.23638546      -0.39407156      -0.16427374 
O       2.92187576       6.47580726       0.01572862      -0.61965535      -0.51876374       0.13745915 
O       2.38310393       6.52645528       2.64473900      -0.20960399       0.59111067       0.08790700 
O       1.86701565       9.15779134       2.47511906       0.04867493      -0.77630273       0.29122492 
O      -0.41680415       6.88535904       4.51171173      -0.22714250       0.18169006       0.12959728 
O       3.87781384       8.82910692       5.87004400       0.19408737      -0.85201380       0.20777582 
O       5.71390005       9.05737474      10.34789649      -0.24328824       0.99712508      -0.20604750 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0061452714464674835 4.834717283623966e-05 -0.0026280318070660493 4.834717283623966e-05 -0.008320273768159083 0.001341447604526174 -0.0026280318070660493 0.001341447604526174 -0.0024723355019511716" pbc="T T T" energy=-973.26857979 free_energy=-973.26857979 config_type=crystal 
Hf       0.78847205       0.21897568       3.71334731      -0.05878296      -0.27899392      -0.39529562 
Hf      -0.13483545       5.47549238       8.99182132       0.27950371      -1.12136135       0.35605713 
Hf       0.32431819       7.58092510       6.35009704       0.72002990      -0.29038331       0.01702468 
Hf       5.91917789       5.39436382       3.69750120       0.67881565      -0.75522357      -0.54920210 
Hf       8.57820793      10.19399752       1.49027307       0.18314251      -0.67142477       0.99803353 
Hf       8.20739919       8.06402105       4.19789618      -0.70689171      -0.76143097      -0.91369723 
Hf       6.41582071       7.55879824       1.11493238      -0.81425556      -0.17224248      -0.16830433 
Hf       1.23738160       7.60402772       0.98072808      -0.71267010       0.03898217       1.93619078 
Hf       2.98675513       8.05409614       4.05190529      -0.59456787      -0.84001122       1.00139152 
Hf       3.48316265      10.20125088       1.54225558       0.66680332      -0.30476705      -0.50092783 
Hf       0.75188558       5.45243320       3.78186122      -0.11169999      -0.88619857      -0.67990112 
Hf       5.48310795       2.33062169       6.33918484       0.44184748      -0.08758198      -0.60832399 
Hf       2.58207779      10.13408707       6.66926737       0.40981618       0.33717139       0.97392885 
Hf       5.95607748       0.21372183       3.73267753      -0.54641629       0.67101473      -0.35121366 
Hf       5.03144346       5.40623390       8.94525354      -0.40260361       0.44942639       1.32838851 
Hf       7.72752514      10.13130424       6.73182964      -1.05952606       0.41257017       0.76686084 
Hf       7.22030107       2.79914120       9.46186741       0.61571301      -0.80716154      -0.49427762 
Hf       2.14712188       2.79278421       9.49519123      -0.02738241      -0.01229295       0.11483590 
Hf       3.44429229       4.94084841       1.61009251      -0.27711848      -0.37240255      -0.33625825 
Hf       2.95029634       2.82999799       4.21959449       1.18618345      -0.55723086      -1.03744463 
Hf       1.21314483       2.38166932       1.10593979       0.28219950      -0.62512765      -0.07765834 
Hf       5.03176795       0.16181888       8.91816812       0.05138877       0.22009598      -0.17233774 
Hf       7.61184964       4.95993726       6.87612868       1.19005361       0.20587903      -0.29391091 
Hf       0.34471714       2.42162343       6.38338610      -0.26747367      -0.72444817       0.01716029 
Hf       8.21090291       2.81696419       4.25886321      -0.40127245      -0.07524534      -1.32361421 
Hf       6.45398324       2.42938238       1.12722300      -0.85630011      -0.96917353      -0.12382316 
Hf       5.40659825       7.47638221       6.19956171       1.17212861       1.11109761       1.21582611 
Hf       7.25406561       8.06432642       9.31564803      -0.56754555      -0.19230205       1.32860574 
Hf      -0.07521838       0.22981619       8.91183700      -0.22334027      -0.27945570       0.34935270 
Hf       2.56945100       4.95535586       6.82885127      -0.56175943       0.51707121      -0.54315754 
Hf       8.64307626       5.03367095       1.55610333      -0.47127617      -0.35878994       0.04961709 
Hf       2.17378319       8.01280635       9.37499502      -0.07378514       0.08759504       0.63686661 
O       8.88263626       3.50158210       6.13438878       0.21004594      -0.05978999      -0.09193274 
O       3.84539007       1.64374524       9.68610688       0.11980484       0.74884205      -0.14883909 
O       6.12198329       3.76502150       7.79366918      -0.12098556       1.00656722       0.08254362 
O       8.37979540       4.31767060       8.82646452       0.68989972       0.91959241      -0.98907712 
O       4.45817658       0.72982931       6.92343351      -1.82511728      -0.44020077       0.62210426 
O       6.59352437       3.87340890       5.13115122      -0.20921641       0.39697256       0.28197006 
O       6.58795548       1.30201030       7.96073947       0.46248655       0.12064690       0.63897029 
O       9.36043546       9.52470581       3.50817922       0.01503786       0.33237649      -0.29916463 
O       5.71220531       3.97085564      10.42777003      -0.33821688      -0.45547764      -0.65610444 
O       6.56008938       6.55263508       8.02431590       0.35859573      -1.11455224      -0.67061184 
O       6.14775570       8.96417785       7.72722673      -0.38517979       0.34967635      -0.17596978 
O       3.80662560       6.87454212       9.67536121       0.33587389       0.14441046      -0.00468865 
O       8.91811287       8.64891426       6.05290256      -0.13186720       0.09064331       0.12392655 
O       8.42163868       9.52371229       8.61544591       0.80046540      -0.01436023       0.68435462 
O       4.27933042       6.07743804       7.07155234      -0.14300062      -0.22097328      -0.09066939 
O       7.07967573       1.20705942       5.33902091       0.15671310       0.79154842      -0.14419033 
O       6.56785361       9.18597138       5.18660933       0.08420211      -1.25602448      -0.92861763 
O       7.50027344       6.55067776       2.80046992      -0.22726198      -0.58615415      -0.47886630 
O       7.09804168       8.96934006       2.52346469      -0.45363437       1.06136621       0.15765939 
O       4.66466129       6.84927521       4.34199403       0.28575412       0.36615179       0.49577689 
O       9.71277370       8.67173987       0.83521276       0.93371056      -0.52268744      -0.78934423 
O       8.01647756       1.24649370       0.12935849      -0.39447268       0.51742343      -0.45618684 
O       5.13922641       6.03679380       1.76933294       0.59277347       0.40087879       0.52022024 
O       7.85940801       6.45918560       0.12556736       0.85845861      -0.22858848      -0.21233873 
O       7.50929720       1.33247662       2.72776061       0.30876003       0.49636538       0.50550798 
O       0.62641671       9.11678001      10.34942370      -0.88505565      -0.30969992       0.04019811 
O       4.69754316       1.72738525       4.46403414       0.42897503      -0.39994116      -0.31723766 
O       1.88331468       1.27525279       5.36489876       0.61256339      -0.04817357       0.23327197 
O       1.43270175       1.37508244       7.97812697       0.44468301       0.48952246      -0.28623270 
O       0.89641974       3.96404179       7.70211101       0.25694656      -0.55120905       0.71293484 
O      -1.22301727       1.71477081       9.69908540      -0.60788946       0.24163482      -0.06673462 
O       3.85231536       3.55313781       6.12943596      -0.76195975      -0.47061902      -0.30273485 
O       3.22059040       4.41057398       8.75260077       0.18851602      -0.81061231      -0.03488012 
O      -0.88544721       0.83382120       7.03434457       0.95899986       1.03657187      -0.14731782 
O       1.49471305       3.93003954       5.14347471      -0.76434858      -0.05346477       1.03069235 
O       2.90560536       1.16983899       0.05990395      -0.45193893       0.81125100       0.30235832 
O       2.40037595       1.30299655       2.69890910      -0.16681910       0.42355327       0.41978924 
O       1.80407164       3.78667415       2.61402657       0.27509451       0.35234938      -0.51456831 
O      -0.35418962       1.70932962       4.43682282      -0.70651395       0.86750377       0.48051297 
O       4.65908010       3.42565440       0.90098391       0.19036488      -0.32062740      -0.63506320 
O       4.19799158       4.26964707       3.42131481      -0.02558512       0.12457280       0.59700635 
O       0.06703828       0.73824950       1.81918373       0.47510596       1.26656911      -0.37687558 
O       2.37877501       3.90524747       0.00692409      -0.43984341      -0.38992797      -0.80457788 
O      -0.02484168       6.14388471       1.85344095       0.23632266      -0.03940945      -0.48074644 
O       4.18438204       9.53694818       3.49626693       0.44736082       0.21583971      -0.52470727 
O       4.70150134       8.65743648       0.80464324      -0.32035445       0.08491841       0.06185031 
O       9.77690474       3.42430013       0.81123772       0.12984655       0.20418226       0.73252327 
O       9.35861346       4.29802806       3.42532551      -0.53392049      -0.25443543       0.29706405 
O       5.27386486       0.79965157       1.77707985      -0.18299375       0.22189653       0.36645504 
O       7.11124856       6.35199141       5.35297430      -0.97391988       0.59455807       0.36028546 
O       1.86850321       6.40102415       5.33581319       0.35403838       0.56362945       1.21350080 
O       1.42553797       6.57574559       8.01693556       0.53662076       0.00225126       0.02051372 
O       0.98987887       9.09633887       7.68259000      -0.07732068      -0.15777044       0.11790151 
O       6.98016179       3.89891334       2.45216205       0.43558225       0.10412337       0.95662533 
O      -1.33162685       6.94219884       9.71807455      -0.14576402       0.03731769      -0.39123008 
O       3.25556444       9.50975677       8.61683745       0.74558258       0.38409932      -0.29598021 
O      -0.85993972       6.20117264       7.20759729      -1.57959451      -1.10477962      -0.63268557 
O       1.44028052       9.14176337       5.15796667       0.35935022      -0.26771740      -0.77614450 
O       2.75870450       6.35670071       0.19153130      -0.08733291       0.92860861      -0.68599965 
O       2.15941231       6.52780903       2.80877147       2.05300993       0.54205104      -1.07127095 
O       1.88789716       9.05284541       2.50673033       0.13101986      -0.09361118      -0.39976086 
O      -0.41292944       6.92786896       4.41872307      -0.32084645       0.36181835       0.82863374 
O       3.82004040       8.66019157       6.00676414      -0.95650335      -0.09478359      -0.38880900 
O       5.69121402       9.14758900      10.35489692      -0.36526766      -0.13265152      -0.26891065 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009839960847842126 -5.213716697369499e-05 -0.0013357058655190184 -5.213716697369499e-05 -0.0011105874888572085 -0.000911804947740753 -0.0013357058655190184 -0.000911804947740753 -0.008540311668739588" pbc="T T T" energy=-973.38037001 free_energy=-973.38037001 config_type=crystal 
Hf       0.80997740       0.16552104       3.67670605      -0.73406177      -0.00960877       0.79730983 
Hf      -0.14088376       5.46825825       8.97912454      -0.99397905      -0.97799365      -0.52980132 
Hf       0.31477960       7.59087121       6.36812518      -0.07967847      -0.33254725       0.04742223 
Hf       5.91723324       5.44444920       3.66791779       0.32226975      -0.99771875       0.67246561 
Hf       8.59425191      10.14185018       1.53249770       0.05223177       0.56686846      -0.15746734 
Hf       8.13948183       7.99290561       4.16196286       0.28004927      -0.27172240      -0.15792792 
Hf       6.34332718       7.54437287       1.02646222       0.92942572       0.69489973       0.48191210 
Hf       1.22452530       7.58143339       1.10126367      -1.40723376       0.80027880      -0.07909135 
Hf       3.06127721       7.99608307       4.24241719      -0.84188408       0.40837976      -0.98032625 
Hf       3.54157488      10.17798576       1.57283392      -1.03603957      -0.30863354      -0.60018038 
Hf       0.77687541       5.48940915       3.74436300      -0.06950714      -0.52217942      -0.86586627 
Hf       5.53376119       2.38548536       6.38335198      -0.98487510      -0.72365551      -1.85047578 
Hf       2.54866696      10.17763665       6.83384419       0.30083301       0.88113626      -0.22710860 
Hf       5.97719857       0.15588633       3.72498774      -0.10461927       1.46136153       0.39461288 
Hf       5.07369771       5.41467186       8.93020914      -0.89607883       0.10283473       0.42937190 
Hf       7.76121882      10.20540346       6.80064292       0.31418682      -0.12860313      -0.09916325 
Hf       7.25105985       2.83521620       9.34841500       1.10711544      -0.21666680       1.01161090 
Hf       2.07859072       2.85614995       9.47951281       0.25764617       0.09960017      -0.98254907 
Hf       3.44055896       4.99014590       1.54019043       0.36602326      -0.21161986       0.07361584 
Hf       2.97776287       2.78343274       4.17903850       1.07213093       0.45441551       0.18733583 
Hf       1.18556371       2.36241163       1.14392471      -0.22973684       0.31242472      -0.44395231 
Hf       5.03771090       0.20936778       8.93447647       0.14709026       0.71408358       0.16159803 
Hf       7.66990505       4.95655438       6.70774319       0.78906840       0.62259005       0.44090792 
Hf       0.35354075       2.41396402       6.25742319       0.19507682      -0.37758619       1.55565625 
Hf       8.22318223       2.80180912       4.15399639      -0.86913277      -0.28501174      -0.56865270 
Hf       6.40494177       2.35699299       1.02411576      -0.16894229       0.38272294       1.13426038 
Hf       5.40979247       7.58196714       6.40363134       1.00154185       0.07119965      -0.91631972 
Hf       7.20194345       8.05393821       9.40172930       0.67023984      -0.07934872      -0.57684317 
Hf      -0.06685922       0.22014428       9.01091170      -0.37813968      -0.11225624       0.11553824 
Hf       2.54116362       4.94174956       6.77584127       0.05130702       0.32019533       0.47164471 
Hf       8.57572119       4.91122558       1.54323004       0.91513807       0.87672897      -0.01915746 
Hf       2.12371078       7.95158361       9.38201130      -0.24199775       1.49517721       0.54152465 
O       8.97855902       3.65074518       5.98743865       0.42400567      -1.51363359      -0.51122836 
O       3.79624409       1.76675595       9.76853879       0.45792039      -0.99071265      -0.89460170 
O       6.08559332       3.86443699       7.73430622      -0.07079459       0.51523203       0.07060700 
O       8.41378218       4.28539242       8.59310949       0.59257200       0.41305403       0.06635160 
O       4.34141934       0.89948205       7.07896828      -0.52880991      -0.11184000       0.18003268 
O       6.65214144       3.91259050       5.03761715      -0.77160108      -0.18489394       1.23622155 
O       6.69647483       1.38274715       7.93243263      -0.14385688      -0.05631756       0.05861212 
O       9.40655906       9.39192521       3.40562830      -0.05882360       0.40325168      -0.19675878 
O       5.72979531       3.98311920      10.40059735      -0.31754023      -0.62993566      -0.26969744 
O       6.55450781       6.58563954       7.92530924       0.13786185      -0.21942612       0.19198984 
O       6.11223301       9.15376780       7.68026454       0.09591597      -0.43155913       0.71421090 
O       3.82697874       6.90331316       9.72160075      -0.18966509      -0.42726704      -0.57301022 
O       8.90452981       8.69076782       6.11686004       0.28922608      -0.47707238      -0.83016934 
O       8.50696864       9.47287621       8.67025151      -0.30983455       0.38541606      -0.15286470 
O       4.19573327       6.13699968       7.13466201       0.26556067       0.05867597      -0.42885596 
O       7.08776944       1.23067625       5.34407285       0.21764099       0.24027576       0.32317509 
O       6.61284625       9.10248130       5.12411730      -0.14036369      -0.16994776       0.00704324 
O       7.52943933       6.50760011       2.71467783      -0.13363196       0.30357367       0.08702327 
O       7.08261613       9.05516120       2.47030412      -0.83075646      -0.48898951       0.38341636 
O       4.76718009       6.93060130       4.47168350       0.01087514       0.11784101       0.33250031 
O       9.73060276       8.72245168       0.69804666       1.14273748      -0.19783283       0.80164699 
O       6.20523859       1.26788649      10.49520899      -0.51271328      -0.06857921       0.92969293 
O       5.22513274       6.06044471       1.79702288      -0.75908906       0.24093737      -0.06865396 
O       7.93624250       6.47615752       0.04052134       0.01073615      -0.23365016       0.41406406 
O       7.51074017       1.27030203       2.74540065       0.08507773       0.56768491      -0.28013395 
O       0.60097906       9.17485293      10.47604742      -0.26149540      -0.43695715      -1.05491447 
O       4.73009961       1.66759440       4.52694399      -0.20058227       0.18274040      -0.67291936 
O       1.90539482       1.28163129       5.32772490       0.46259087       0.09901480       0.55844601 
O       1.52422352       1.26204143       7.97976968       0.15341220       1.04400707       0.78816559 
O       1.01553188       3.89275958       7.78801661      -0.46574413      -0.81134938      -0.05836829 
O      -1.30677748       1.66499672       9.75757418      -0.30769500       0.23427934      -0.31914726 
O       3.71518679       3.46422951       6.04899980       0.60731179      -0.06200077       0.20159981 
O       3.29746362       4.35727467       8.67265226       0.28708226      -0.42502348       0.24971617 
O      -0.71585984       0.83177629       7.08982158      -0.93235505       0.55123862      -0.43633925 
O       1.41806094       4.01275804       5.14746777       0.05390108      -0.67062919      -0.23064418 
O       2.76203814       1.27609379       0.17368188       0.67483787       0.29270530       0.08691935 
O       2.22921550       1.31585547       2.78569066       1.32906574       0.39248964      -0.62884609 
O       1.99664877       3.89184232       2.52581420      -1.29729456      -0.72268554      -0.20613937 
O      -0.34688087       1.71684076       4.48691418      -0.71182464      -0.37273579      -0.19266371 
O       4.73172086       3.57401462       0.76183456      -0.39197006       0.08461267       0.50569957 
O       4.10472004       4.45299049       3.46092175       0.92123244      -0.48817811       0.25469136 
O      -0.13341487       1.01752619       1.93710415       0.54994268      -0.29498309      -0.35736491 
O       0.53979665       3.95443793      10.44296007      -0.01898734       0.25540880      -0.40179736 
O      -0.06446223       6.21163764       1.89085947       0.14243215      -0.71002243      -0.15349587 
O       4.26401887       9.47427204       3.44723991      -0.53258539      -0.15287395      -0.46313766 
O       4.70234243       8.76731251       0.69042218       0.41556814      -0.54341769       0.85166923 
O       9.88669043       3.56973184       0.68160946      -0.50681808       0.23964527       0.34022132 
O       9.46600823       4.11067327       3.29672799       0.37542863       1.17772125      -0.11141568 
O       5.15835523       0.96121568       1.87231764       0.11035253      -0.08006991      -0.04845872 
O       7.10984152       6.36932274       5.33175534      -0.60939705       1.16665896      -0.18838675 
O       1.86871441       6.50235571       5.34706908       0.58108936      -0.19650679       0.79576009 
O       1.43480408       6.48641835       8.03995494       0.23281662       0.47718241      -0.27214405 
O       1.03733517       9.02733900       7.83995051      -0.02488311      -0.33445854      -0.52778855 
O       7.01540842       3.85725386       2.57816445       0.27500680      -0.34986209      -1.23475128 
O      -1.38273760       6.93644511       9.63321638       0.33819044      -0.35252164       0.37260717 
O       3.40343302       9.50114665       8.67967400      -0.99310210      -0.67456118      -0.25687798 
O      -0.82880982       6.05319333       7.02666654      -0.22292270       0.30030997       0.30507736 
O       1.53899406       9.19446544       5.17820865      -0.94072578      -0.32515550      -0.21990519 
O       2.65558868       6.49825311       0.11358063       1.51428961      -0.42762255       0.25888885 
O       2.29698955       6.63728170       2.80704518       0.42732493      -0.97403366      -0.79812797 
O       1.84588138       9.04901991       2.43556944       0.42830994       0.93255701       1.09054025 
O      -0.39287202       6.92792839       4.45124464      -0.67540707       0.21345624       0.53337632 
O       3.71979281       8.65705786       6.07686731       0.79479656      -0.06695601       0.68362289 
O       5.64869723       9.14098389      10.35998445      -0.25339526       0.11023693      -0.13989080 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005256292821071728 0.0005151779268804071 0.0006027718651379287 0.0005151779268804071 0.0008956625077224446 0.0007123260664171589 0.0006027718651379287 0.0007123260664171589 -0.006431565862479474" pbc="T T T" energy=-972.70104698 free_energy=-972.70104698 config_type=crystal 
Hf       0.73011236       0.19793170       3.75972420       0.29215548       0.12138027      -0.82320850 
Hf      -0.16744421       5.47211086       9.03848330      -0.30485189      -1.06725351      -0.47088937 
Hf       0.36272596       7.51807846       6.32841176      -0.15300752       0.46145601       0.09713302 
Hf       5.95795254       5.39257876       3.59165246       0.10773229       0.57933637       1.19157744 
Hf       8.54761869      10.18262866       1.48806049       1.20967261       0.74208364       0.71545738 
Hf       8.17786169       7.99564273       4.16962252      -0.26216050       0.14311689      -0.20867673 
Hf       6.41175691       7.63915730       1.08263059      -0.43890722      -0.92606117      -0.37756203 
Hf       1.22612290       7.61515873       1.16405307      -0.32042505      -0.81802969      -0.41332301 
Hf       3.08126565       8.02099255       4.14014895      -0.39461213      -0.10797230      -0.68661613 
Hf       3.43109277      10.22816715       1.46876871       0.49144905      -0.82800052       1.44157090 
Hf       0.81250188       5.31565328       3.77732822      -0.73357275       1.86074142      -0.42548932 
Hf       5.43686650       2.37430675       6.34389151       1.18957738      -0.12695300       0.27035442 
Hf       2.56389053      10.10263035       6.78131481      -0.51017210       0.68278105      -0.24068475 
Hf       5.93648590       0.28277313       3.69378073      -0.05836508      -0.54123596       0.31025603 
Hf       5.03769854       5.46880342       8.93916110       0.25251782       0.00409468       0.73377151 
Hf       7.69117419      10.14171355       6.79380630      -0.35814283       0.90216557      -0.90602720 
Hf       7.24646883       2.78882686       9.39988026       0.83394386       0.79423221      -0.45035954 
Hf       2.17289868       2.74227854       9.45786260      -1.33472709       0.51615106      -0.22803763 
Hf       3.48580826       5.01336145       1.51505686      -0.74458402      -0.84692974      -0.79010797 
Hf       3.01041002       2.85757290       4.16507828       0.15992528      -1.11371277      -0.66885733 
Hf       1.24147828       2.43369228       1.14616123      -0.51810436      -1.52857840      -1.34049888 
Hf       5.02979696       0.21425776       8.92520635       0.25936438       0.30291328      -0.18116765 
Hf       7.68443960       4.98268961       6.76244904       0.27873877      -0.06306687       0.72059324 
Hf       0.32047062       2.35049957       6.35223076      -0.10551341      -0.65499758       0.90216192 
Hf       8.15427851       2.85372745       4.18357475       0.02309022      -0.91395014       0.51737486 
Hf       6.42491105       2.39196953       1.07080619      -0.20620925       0.69835136       0.02594624 
Hf       5.42915393       7.58414350       6.31024848       1.35943163      -0.13452390      -0.38491183 
Hf       7.26545223       8.02922697       9.39236016      -0.58159802      -0.86487862       0.92076005 
Hf      -0.13353694       0.17276806       8.95706953       0.35229741       1.23002034      -0.01265513 
Hf       2.55607831       4.88332805       6.88666634      -0.09687584       1.10484727       0.06503200 
Hf       8.66199946       4.94456980       1.54368051      -0.14233889       1.13131066      -0.30555245 
Hf       2.16791685       8.08029672       9.38579803      -1.16378012      -1.63894626       0.35644076 
O       8.89192034       3.39618721       6.16563180      -0.15790368       0.62408069      -0.83387399 
O       3.87275587       1.70191999       9.67393051       0.15169695      -0.56681594       0.39238789 
O       6.08282217       3.83373772       7.86075626      -0.19862626       0.00716328      -0.95939500 
O       8.43806364       4.30317074       8.62374914       0.39330942       0.21910092       0.29535606 
O       4.21346118       0.92110612       7.07605310       0.38087386      -0.06744467       0.27954494 
O       6.58797713       3.99440181       5.23462231      -0.41034876      -0.23152207      -1.07078101 
O       6.59831120       1.30671679       7.96863885      -0.04922491      -0.13354940      -0.52221537 
O       9.39781561       9.47086434       3.28277765      -0.67245018      -0.53782930       1.01723114 
O       5.68836100       3.97625049      10.44353939      -0.04835362       0.15943073      -0.03779199 
O       6.68894323       6.46035305       7.96247868      -0.69321714       0.66391468      -0.13511496 
O       6.06190140       8.98897460       7.83457326       0.37610055       0.15487762      -0.59081069 
O       3.70525322       6.87224566       9.70108849       1.55762194      -0.59076987       0.55050023 
O       8.87434775       8.81707423       5.92528233       1.18064063      -1.22480231       0.13787060 
O       8.40584143       9.49395324       8.63277576       0.59045281      -0.09315431       0.17557865 
O       4.18223089       6.28960839       7.15703257      -0.46517215      -1.85708963       0.22173383 
O       7.20022334       1.32803435       5.30016097      -1.48717460      -1.01612351       0.68312732 
O       6.46711431       9.09626188       5.17187900       0.64765231       1.16361233      -0.38180494 
O       7.54936227       6.52218944       2.63791120      -0.40725562       0.10284939       0.29130312 
O       6.98635145       9.05461924       2.54533090       0.27087156       0.35627711      -0.12733472 
O       4.75770623       6.85896187       4.40407548      -0.67101429       0.01231550       0.20717712 
O       9.82434946       8.76490798       0.83125162      -0.31891993      -0.52781465      -1.10351639 
O       6.17729896       1.33955345      10.49269190      -0.06356969      -1.10115432       1.19200068 
O       5.12710818       6.16496890       1.81381930       0.34224477      -0.34870463       0.02870217 
O       7.95549939       6.52375037       0.04799891      -0.53111879      -0.17099382       0.31148288 
O       7.53530079       1.44633098       2.69566305      -0.14489531      -1.22417391      -0.20421435 
O       0.54471590       9.11916167      10.40585164      -0.23556858      -0.11481640      -0.42600190 
O       4.69589471       1.67711368       4.53328602       0.10369151      -0.11902412      -0.45089535 
O       1.86191963       1.19688929       5.49903754       0.31328403       0.16571661      -1.08058928 
O       1.48103454       1.31042093       8.11327360      -0.11836276      -1.43689518      -0.82973420 
O       1.03349126       3.66247479       7.86387179       0.23084646       1.93371479      -1.09562628 
O      -1.26124351       1.71516689       9.65342528      -0.53225064       0.01032533       0.04782488 
O       3.81823418       3.51818299       5.93792283      -0.53967125       1.05839795       1.13073833 
O       3.40031615       4.23742105       8.69988973      -0.27019874       0.29607688      -0.67749282 
O      -0.80924658       0.79631223       6.99294496      -0.23599228      -0.09068266       0.57944766 
O       1.42672468       3.90060685       5.16434987       0.32104179      -0.13567059       0.44658113 
O       2.78873842       1.19702177       0.08686399       0.07775233       0.67510856       0.74145268 
O       2.28487746       1.34874793       2.78866695       0.52745753      -0.18187945      -0.03741875 
O       1.85804077       3.83036503       2.50917896       0.12935372       0.80066009       0.82152829 
O      -0.36701281       1.76580233       4.36133422      -0.21177583       0.24196583       0.56359679 
O       4.60650964       3.34975038       0.84880482       0.29366714       1.17150570       0.03695817 
O       4.22905606       4.23741191       3.29698357       0.36222222       0.20959942       0.88652132 
O      -0.03807420       0.91531821       1.80842273       0.55907533       0.47355655      -0.11851860 
O       0.55089951       3.89661542      10.41390937      -0.11933210       0.58886359      -0.02397657 
O       0.06503632       6.09382187       1.90708413      -0.74883782      -0.32731784      -0.15045368 
O       4.25002267       9.51193624       3.33474273      -0.20354168      -0.07771488       0.23064147 
O       4.64704643       8.65961398       0.76991193      -0.15949735       1.18533753       0.20706662 
O       9.85577479       3.53779124       0.72531132      -0.01954254      -0.12026978       0.53991527 
O       9.30418231       4.31852853       3.47761096       1.02794876       0.64649632      -0.44694037 
O       5.16772045       1.04553396       1.90419353      -0.56347723      -1.28892000      -0.36788861 
O       7.05886549       6.52443395       5.25297533       0.04067139      -0.67958215       0.54984632 
O       1.92411323       6.47553473       5.45791347       0.37887583      -1.22440916      -0.35649581 
O       1.44144226       6.46526392       8.03832935      -0.35793225       0.02070865      -0.39772987 
O       0.98568390       9.04496489       7.73883880      -0.01011261      -0.29063363       0.26697901 
O       7.06839342       3.84408448       2.55339945      -0.56987323       0.53091310      -0.37803088 
O      -1.45888192       6.81422988       9.87496547       0.81351067       0.19121540      -0.91647601 
O       3.41754957       9.36826017       8.57303300       0.03492431       0.81871292       0.03326276 
O      -0.94683719       6.17108369       7.03385682       0.37104125      -0.40142827       1.06515923 
O       1.47706306       9.01553427       5.14247568      -0.44093574       0.95146748      -0.45777516 
O       2.77385073       6.42147724       0.05274948      -0.24087761       0.63152151       1.16662500 
O       2.28708362       6.45823634       2.77646600       1.20375075       0.71244337       0.03563579 
O       1.86152394       9.09079741       2.49286378       0.58177618      -0.06797191       0.17992605 
O      -0.41803405       6.82108041       4.53094985      -0.28092097       0.27492260      -0.62129993 
O       3.80274553       8.72460953       5.93657256       0.06341553       0.22795279       0.31431524 
O       5.61597830       9.18260804      10.42079071       0.40508253      -0.12047035      -0.16890334 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005433171772069339 -0.003317492672777865 0.0002256670926951027 -0.003317492672777865 -0.0007605523661876667 0.0027304639346288984 0.0002256670926951027 0.0027304639346288984 -0.00861828503845311" pbc="T T T" energy=-973.3195753 free_energy=-973.3195753 config_type=crystal 
Hf       0.80205259       0.26321403       3.77395218       0.02147409      -0.39619682      -0.72096685 
Hf      -0.03098756       5.44916192       8.91747666      -0.69492615      -0.90939933       0.49052389 
Hf       0.37624984       7.62851141       6.35343151       0.84805979      -0.02738937      -0.56392532 
Hf       5.90787284       5.37262077       3.67522630       0.55141440       0.67520691       1.00878703 
Hf       8.66842849      10.20017527       1.57162131      -0.02122543       0.28348769      -0.48283457 
Hf       8.20483634       8.05866174       4.19858103      -0.84963606      -1.25980797       0.55283177 
Hf       6.35180293       7.54730346       1.18104837      -0.09458126      -0.34923676      -0.02244962 
Hf       1.20820645       7.50275195       1.07802797       1.16691180       0.68301557      -0.16061188 
Hf       3.05189047       7.98096155       4.15204097      -0.05877633       0.50653707       0.09225893 
Hf       3.41106643      10.16142519       1.54406777       0.38552458      -0.32621053       0.38705886 
Hf       0.71487061       5.42426470       3.64552141       1.05213436       0.32833731       1.56852109 
Hf       5.48521646       2.33499569       6.33531737      -0.52992250       1.20232207      -0.36179070 
Hf       2.60185827      10.16895015       6.81217771      -0.05254783      -0.35621032      -0.29041811 
Hf       5.98466879       0.23873605       3.68544757      -1.14983459      -0.46332073       0.23755805 
Hf       4.98573787       5.39380939       8.94412861      -0.40545157       0.09715848       0.72345867 
Hf       7.72657739      10.21814810       6.88532982      -0.12095689      -0.79102185      -0.86028891 
Hf       7.23038899       2.86933336       9.30532595       0.19156895      -0.51369165       1.16134720 
Hf       2.12691022       2.76220183       9.36988040      -0.64278061       1.07282557       0.00050763 
Hf       3.45713587       4.88502302       1.55277129      -0.56503970       0.93874048      -0.01782903 
Hf       3.02824648       2.81726032       4.18256396      -0.79442007       0.18617917      -0.11413350 
Hf       1.28310654       2.38022226       0.97540670      -1.09881187       0.20252238       1.00331511 
Hf       5.01874142       0.17153515       9.01326908       0.16833676       1.27662200      -0.05667262 
Hf       7.69323544       5.03291900       6.83578806      -0.28649206       0.18593404      -1.66533145 
Hf       0.25340380       2.41495795       6.30425695       0.62279732       0.44086352       0.18121125 
Hf       8.07575452       2.83299746       4.13801219       0.52642845       0.36887676      -0.03335764 
Hf       6.31323913       2.33769364       1.03819096       1.05305529       0.52073019      -0.10676060 
Hf       5.52876088       7.63240455       6.31044022      -0.76783654      -0.92349739       0.56318546 
Hf       7.19524617       8.00706083       9.46877197       0.52094918      -0.00799569       0.01666056 
Hf      -0.09731591       0.20969652       8.95810972       0.27248390      -0.18663972       0.61399860 
Hf       2.57002257       4.98891423       6.75332739       0.05157528       0.03340434       0.29042468 
Hf       8.62214366       4.96275240       1.53024186      -0.81436376      -0.57992997      -1.15085750 
Hf       2.15988701       7.98989876       9.48332662      -0.25221588      -0.28487060      -0.16141802 
O       8.80860974       3.48379517       6.07797365       0.63148176      -0.25989408      -0.65172871 
O       3.75357577       1.69778673       9.68664105       1.18658671      -0.75335622       0.25420675 
O       6.01739542       3.95414098       7.67001019       0.60642455      -0.87770691       0.07382876 
O       8.42534537       4.26043681       8.51270367       1.35747597       0.66457069       1.34729222 
O       4.28483884       0.92809235       7.09655949      -0.23611729      -0.54756608       0.14446603 
O       6.57460297       3.95442515       5.09061151      -0.17309189      -0.26327429       0.13389129 
O       6.64058858       1.38108678       7.94385863      -0.12100701      -0.12477410      -0.28168833 
O       9.33165571       9.53259558       3.51416045       0.83453666       1.35385089      -1.21643374 
O       5.72321040       3.90973795      10.29450606      -0.44952162       0.64702129       0.33830999 
O       6.61566025       6.52286709       8.08425470       0.17926421       0.68345825      -0.56384987 
O       6.08284978       9.16352159       7.87196028       0.78978054      -1.10462733      -0.33189784 
O       3.75621353       6.76962185       9.89510423       0.33649158       0.31597122      -0.56182109 
O       9.00692388       8.71763910       6.04995263      -1.27571643       1.02418618       0.21563260 
O       8.50992403       9.46618569       8.65098000      -0.51781483      -0.40801895       0.05709068 
O       4.29428899       6.09044066       7.12342040      -0.26734732       0.40635356      -0.30987196 
O       7.04624336       1.26733695       5.31656824       0.27684294      -0.19204663       0.06892997 
O       6.55262308       9.11637666       5.26689228       0.65379604       0.89249719      -0.63515101 
O       7.52513418       6.44055902       2.74713608      -0.37269410       1.06067088       0.14459261 
O       7.04891804       9.03292825       2.62593780      -0.12215298       0.04267919      -0.42518703 
O       4.72260105       6.81042527       4.53810264       0.03041491       0.51897583      -0.06481313 
O       9.84824116       8.72262717       0.70393213      -0.49594008       0.04276714       1.01511358 
O       7.95313248       1.33544367       0.00919106      -0.11544079      -0.95971106       0.89174585 
O       5.06054644       6.09828357       1.93680236       0.81135271       0.56028204      -0.47582056 
O       7.92676962       6.49589035       0.19296148       0.16499401       0.25090140      -0.40692189 
O       7.54023635       1.32466083       2.68538204      -0.20634202      -0.04954294       0.10015692 
O       0.48340090       9.07474337      10.40282999       0.66361663       0.24403610      -0.33436857 
O       4.70816287       1.71524720       4.42424952       0.57517693      -0.34396723       0.37546363 
O       1.83979303       1.19466670       5.37488167       0.28116248       1.05067225       0.52657341 
O       1.59455417       1.22443085       8.05053523      -1.03808416       0.37911772      -0.34967015 
O       0.98156165       3.83018205       7.75045255      -0.14866678      -0.18502895      -0.40522183 
O      -1.34657991       1.68963980       9.63914858       0.79556682      -0.22853953       0.19702686 
O       3.72292385       3.47136744       6.06380017       0.48992444      -0.44146047       0.05024841 
O       3.29035836       4.27732270       8.70482763       0.15679251       0.17781800      -0.50008413 
O      -0.87377595       0.95399785       7.13266921       0.27738431      -0.17106702      -0.33408152 
O       1.45652507       4.01003890       5.11042034      -0.54644085      -0.76330407      -0.09141489 
O       2.91033021       1.26584210       0.15347750      -0.93992419      -0.30241469      -0.50768414 
O       2.27073591       1.38399243       2.77401044       0.93851400      -0.59274923      -0.11620546 
O       1.85190579       3.81480660       2.47565648       0.20270013       0.73510956       0.19797896 
O      -0.41328165       1.79770729       4.43097630      -0.30123412      -0.14907539      -0.20975266 
O       4.67621153       3.51658341       0.79662185       0.08279967      -0.32498223      -0.22104085 
O       4.20797009       4.29214664       3.49061153      -0.40040556      -0.41324398      -0.70200277 
O       0.11673227       0.86296058       1.76840322      -0.99374634      -0.55757434       0.32867962 
O       0.50780374       3.88336977      10.35951633       0.27699861       0.09921520      -0.40502452 
O       0.03122088       6.04573569       1.80682843       0.25993156       0.28788862       0.17162514 
O       4.24577913       9.52492941       3.41971861      -0.04189691      -0.30102851      -0.09145484 
O       4.69548796       8.73034861       0.79749403      -0.46787101       0.09826887       0.28916735 
O       9.83094768       3.48691153       0.74132083      -0.09544310       0.18313200      -0.00802890 
O       9.23540180       4.40500447       3.42341639       0.82880532      -0.42692262       0.72247228 
O       5.10939632       0.96065148       1.83453370       0.44126560      -0.44816219       0.46812886 
O       7.09894885       6.50119647       5.38678639      -0.00202296       0.03161693       0.15271395 
O       1.86535921       6.45236187       5.36120381       0.53093959       0.29940857       0.12023714 
O       1.55246167       6.46496198       8.05768266      -0.04935085       0.66592121      -0.40332524 
O       1.00696265       9.02042384       7.81166298       0.35525676       0.24674965      -0.16011874 
O       7.04175281       3.83551934       2.43767386      -0.58709271      -0.41355206       0.12436956 
O      -1.35650431       6.79152033       9.78796791      -0.19186423       0.21580041      -0.93850675 
O       3.41731982       9.38683844       8.70538647      -0.62686898       0.11225803      -0.53913180 
O      -0.75645599       6.16247087       7.02377458      -1.25522496      -1.21441360       0.84595324 
O       1.54567999       9.16426428       5.15311362      -0.56095702      -0.25629426      -0.30399995 
O       2.84623078       6.32574438       0.07440904      -0.60528531       0.95457504       0.61844398 
O       2.46041383       6.54888502       2.77389168      -1.30777135      -0.92300996      -0.75270607 
O       1.91188590       9.01027605       2.44448444      -0.38333376       0.34154766       0.97127880 
O      -0.33290649       7.07284163       4.39553179       0.16988683      -1.08083648      -0.52792758 
O       3.81809334       8.71746299       5.99076954       0.30163646      -0.11170039       0.65012238 
O       7.35097856       9.21389613       0.00653955       1.09278941      -0.90919692       0.11206124 
96
Lattice="10.28463786 0.0 0.0 0.0 10.39029534 0.0 -1.79009414 0.0 10.50058508" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005573050975829094 0.0030108449576497533 -0.0012324873889459269 0.0030108449576497533 -0.0021397210554028826 0.0007049746297234198 -0.0012324873889459269 0.0007049746297234198 -0.012836622993369297" pbc="T T T" energy=-972.74555746 free_energy=-972.74555746 config_type=crystal 
Hf       0.74571766       0.24888945       3.69027879       1.54285252      -0.72949967       0.82234893 
Hf      -0.08758825       5.42895664       8.92534600      -0.49229558      -1.58465297      -0.36586106 
Hf       0.30534842       7.54801135       6.32747941      -0.20176173       0.30366306      -0.92088298 
Hf       5.94330354       5.40939317       3.70643016      -1.02875079      -0.07313475      -0.38172980 
Hf       8.64147941      10.16145168       1.59427811      -1.12280399       0.28413768      -0.40364891 
Hf       8.13302179       8.05106778       4.16305997      -0.51929681      -1.11470069       1.08258328 
Hf       6.42304975       7.61522180       1.13927956      -2.04289134      -0.94895024      -0.13703513 
Hf       1.21968362       7.57240807       1.12340310       0.58350712      -1.15052104       0.67704034 
Hf       3.07048235       8.03936540       4.20621748      -0.88703171      -0.68023469      -1.20988396 
Hf       3.48212742      10.16849215       1.50142773       0.13818182      -0.97060192       0.47660139 
Hf       0.77098015       5.33009350       3.78507733      -0.54646920       1.81214310      -1.84889331 
Hf       5.47536495       2.35852421       6.37024767      -0.76705981       0.07120375       0.56466090 
Hf       2.53022942      10.13799227       6.80138636      -0.30768868       0.44526475       0.60122025 
Hf       5.89084526       0.28179333       3.68888557       0.05958230      -1.35132315       1.71394846 
Hf       5.02493046       5.40393889       8.95757482      -0.58345059       0.35371098       0.03265455 
Hf       7.71770589      10.15808388       6.84231323      -0.31896369       0.37761082      -0.13737131 
Hf       7.32162563       2.81790285       9.36370595      -0.44984845       0.77496809      -0.41335678 
Hf       2.21582744       2.77518024       9.38973921      -2.06689152       0.97612678      -1.06194181 
Hf       3.43357225       4.98373810       1.42308171       0.84271728      -0.37132444       1.57417596 
Hf       3.03265700       2.82720134       4.11810623       0.08150326       0.01894529       0.61934077 
Hf       1.22851628       2.37416254       1.10222153       0.64832953       0.88725862      -0.73440210 
Hf       5.03560792       0.24230854       9.01630060      -0.47134373      -0.70761549      -0.49925967 
Hf       7.72932396       4.96185977       6.72109626      -0.90531049       0.40667852      -0.48721566 
Hf       0.33085223       2.34749200       6.31193225       0.15727417       0.68893509       1.11396932 
Hf       8.10770101       2.83620712       4.14276706       0.44089937       0.35740501       0.41741033 
Hf       6.37415294       2.37645432       1.04356537       0.11711028       0.77646427       1.06444910 
Hf       5.46506398       7.58105747       6.42752941       0.78623512      -0.18423514      -0.75158974 
Hf       7.23563368       8.04966395       9.48384913      -0.04113623      -0.93265381      -0.69885109 
Hf      -0.12104524       0.21241816       9.03948757       0.72210117      -0.20348636      -0.45958793 
Hf       2.56844382       4.99656824       6.74242022       0.16945832      -1.45686571      -0.03595293 
Hf       8.61188477       4.97946509       1.47806729      -0.45667534       0.81515768       1.05948123 
Hf       2.08979779       7.97604777       9.35526631       1.06313183       0.50801501       0.90895152 
O       9.01558765       3.65648593       5.99261712       0.27188534      -1.66421053      -1.24788417 
O       3.81194088       1.70571390       9.75484613       1.34252789      -1.02748543      -0.04614461 
O       6.19392435       3.86710355       7.67225196      -1.03555112      -0.21754888       0.83341401 
O       8.45747230       4.24942569       8.45264799       1.17126716      -0.30150711       2.30350374 
O       4.16336101       0.86501837       7.23240251       1.27041208       1.12283460      -1.14214520 
O       6.55451281       3.92852713       5.09246203       0.21986319      -0.02301572       0.13939730 
O       6.58840418       1.34571687       7.99281593      -0.46805465      -0.24405350       1.14699224 
O       9.28560850       9.55333440       3.49259950       0.74979618       0.50730954      -0.88977624 
O       5.59562039       4.06053157      10.44376274       0.68902072      -1.19558687      -0.99322250 
O       6.55671377       6.60282280       8.03180869       0.35466453      -0.31326561       0.37641583 
O       6.04755522       9.06391263       7.82544930       0.59094551       0.30228768       0.45824278 
O       3.76216973       6.82129965       9.64588145       0.45310088       0.27591324       0.43899577 
O       8.94765620       8.80443755       6.01317233       0.48180000      -0.96394709       0.01512153 
O       8.44872484       9.49095896       8.75091774      -0.20596818      -0.11920972      -0.36115011 
O       4.30891954       6.06256631       7.12250979      -0.50087096       0.03359566      -1.13140579 
O       7.11567272       1.32086588       5.58379868       0.16587818       0.36159271      -1.52824388 
O       6.57457286       9.20995914       5.23547348      -0.18686404      -0.39363982      -0.57795684 
O       7.50100940       6.44870771       2.84093571      -0.01445424       1.07520280      -0.87084594 
O       6.91633310       9.07300528       2.52522638       1.29040987      -0.46178901       0.45255826 
O       4.73405314       6.90551767       4.41234522       0.48976993      -0.19335361       0.88620969 
O       9.89393074       8.75217582       0.77759164      -0.69524476       0.05174503       0.45353306 
O       7.99514513       1.26379084       0.17470443      -0.18386932       0.55080320      -0.10971590 
O       5.16744259       6.06740600       1.78081859       0.26651177       0.20246978       0.40891051 
O       7.92690890       6.56699634       0.18237962       0.49976602      -0.25261770      -0.33594722 
O       7.48732705       1.26331497       2.90587080       1.11921930       0.59233233      -1.12617319 
O       0.58510102       9.05688484      10.40408565      -0.58530255       0.57311568      -0.15521372 
O       4.78616623       1.73102248       4.51237799      -0.41371489      -0.23753002      -0.41824901 
O       1.90312715       1.26406691       5.37524016      -0.12476470      -0.65061663       0.04460089 
O       1.47257006       1.20377920       8.09091512       0.05242315       0.64036049      -0.54569569 
O       1.07651634       3.80563581       7.75822823      -0.91826299      -0.15338815      -1.02721745 
O      -1.30752691       1.72953594       9.68403963       0.00862984       0.00978077       0.54828810 
O       3.69322979       3.39503513       6.03143085       0.43536217       0.57511940       0.06848878 
O       3.30949236       4.21313582       8.51373746       1.57719251       0.52303353       1.15413087 
O      -0.85978471       0.92025370       7.18981518      -0.11749493       0.20068305      -0.77437687 
O       1.44728395       3.94029965       5.08989190       0.12721753      -0.86960534       0.38138917 
O       2.81051897       1.24326263       0.14989974      -0.39395490      -0.01055486       0.17252610 
O       2.44888726       1.36076181       2.73578337      -0.86200177      -0.47481223      -0.14590177 
O       1.86172358       3.85471749       2.44493827      -0.22321213      -0.03246541      -0.02898703 
O      -0.34589688       1.77673624       4.41471321      -0.92087307       0.07302100      -0.04220846 
O       4.73293765       3.57952750       0.69496096      -0.24290531      -0.41762360       0.24366563 
O       4.18179917       4.25599194       3.38704048       0.51156731       0.73060172      -0.35832193 
O       0.05192284       0.90082583       1.79831172      -0.17135853      -0.06988952       0.42072947 
O       0.60374602       3.87474270      10.28674392      -0.66020959       0.60115115       0.59304256 
O       0.01988269       6.04303795       1.82435338       0.04939597       0.56195075      -0.52985343 
O       4.25091790       9.46965491       3.40003054      -0.18216020       0.34051960       0.09192595 
O       4.68143934       8.65922829       0.78231102      -0.06778129       0.31203175      -0.12627697 
O       9.78967592       3.60262845       0.66200634       1.07233909      -1.23209326       0.17457361 
O       9.29392734       4.32615438       3.34774151      -0.29945311      -1.05403919       0.35475788 
O       5.22475338       0.90657654       1.85685280      -0.73463582       0.09804324      -0.63047234 
O       7.14673147       6.49725107       5.43075969      -1.21116886       0.53048296      -0.45160150 
O       1.85280249       6.40382517       5.34960193       0.17342331       0.65082421       0.37350532 
O       1.46643355       6.48162645       7.94308463      -0.27091468       0.35335683       0.36996174 
O       0.92283356       9.01916194       7.78117411       0.15408891      -0.39247196      -0.38070262 
O       6.92240170       3.78584490       2.47907799       0.87960904       0.21084132       0.50135536 
O      -1.35727236       6.71979498       9.71218309      -0.56651471       1.55955385       0.43746057 
O       3.28156950       9.51193323       8.69088632       0.01538664      -0.59766697       0.53201208 
O      -0.90620801       6.08135674       7.00707655       1.29443401       0.99816907       0.76381941 
O       1.44544968       9.05600239       5.07498947      -0.35489223       0.89576990       0.56164168 
O       2.82534739       6.45929210       0.16594043      -0.48116498       0.25232027      -1.06124518 
O       2.24050365       6.53600126       2.78150303       0.90667166       0.16431760      -0.05786728 
O       1.90647104       9.08117818       2.52349378      -0.14645178       0.20466887      -0.47114502 
O      -0.46577442       6.88671539       4.34518400       0.10756480       0.54527865       1.09010029 
O       3.73492219       8.63051128       6.14672927      -0.02619000      -0.09105776      -0.55992765 
O       7.46149802       9.20127971       0.02294168       0.42163865      -0.46641358      -0.79766750 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014896992903368173 -0.001100281889720607 0.0022286618863637335 -0.001100281889720607 -0.014960426933474824 -0.005069486412767908 0.0022286618863637335 -0.005069486412767908 -0.015233475331710447" pbc="T T T" energy=-946.19672931 free_energy=-946.23146772 config_type=crystal 
Hf       2.87718708       2.14305967      -9.39692689      -0.93368445      -0.54573296       0.53097654 
Hf       7.98445783       2.93799122      -4.17754129      -0.37736720       1.32311043       0.83870108 
Hf       7.98884316       1.99366296      -9.36712676      -0.14010118       1.36446518      -0.62523551 
Hf       2.86696386       8.11443813      -4.02185552      -0.15568736       0.50442646      -1.04355073 
Hf       2.79369961       7.27223218      -9.52906594      -0.12568492      -0.23303853       1.61067931 
Hf       7.93109369       8.30669028      -4.25794931       0.61123845      -0.63171296       0.15454840 
Hf       8.00661846       7.27644410      -9.42743949      -0.37458727       0.72674389      -0.01598924 
Hf       0.20792425       0.85577339      -3.74817258       0.93409527      -0.20736362       0.98639964 
Hf       0.25675926      -0.01628102      -8.92546480       0.77182570      -1.04532345      -0.71114405 
Hf       5.41423965       0.85586486      -3.72026413      -1.86251987       0.59117623       0.31083954 
Hf       5.29456745      -0.19459499      -9.03115498       0.49844831       0.32252388       1.16028598 
Hf      10.25002820       5.94617210      -3.41034209       0.26218821       0.47490449      -1.33419434 
Hf       0.19113176       5.08479423      -8.93062290      -0.40554911      -1.56826995      -1.07385730 
Hf       5.46527834       5.89217757      -3.73552169      -0.27885402      -0.80419110       0.42686857 
Hf       5.40641181       5.08590642      -8.97452490       0.23763575      -0.73572635       0.73001316 
Hf       2.40763801       1.25158876      -1.09538028      -0.62450529       0.01869682      -0.98112235 
Hf       2.38020545       0.38344695      -6.23211799       0.41828098      -0.38404278       0.10497326 
Hf       7.55772696       1.27129854      -1.11581558      -0.43116029       0.38221811       0.22750507 
Hf       7.61058935       0.45491573      -6.30441630      -0.59019024      -1.18808404      -1.95690546 
Hf       2.32517637       6.34043226      -1.08115052       0.56131992       0.70124956       0.55923659 
Hf       2.48540449       5.34799971      -6.46470269       2.08162510      -0.77608328      -1.31984299 
Hf       7.59989795       6.38572671      -0.97774360      -0.69311783      -1.20075361       0.26844058 
Hf       7.68409248       5.48482558      -6.28368185      -0.73991014      -0.26417622      -1.03478734 
Hf       4.91928319       3.45259419      -1.61010836       0.27160143       0.41307794      -0.25344519 
Hf       4.97871236       2.47415806      -6.77739016      -0.19433523       0.79592596       0.02262058 
Hf      10.21761256       3.38695854      -1.50095446      -0.63144026      -0.79438982       0.27623222 
Hf      10.18652802       2.58147972      -6.80624482       0.05633404      -0.39110934       0.27501002 
Hf       5.03791678       8.57277569      -1.60236585      -0.40786982       0.08846272       0.93084702 
Hf       5.07761872       7.58997811      -6.78641940      -1.30653251       1.70473992      -0.01286776 
Hf      10.09996699       8.68341555      -1.51249733       0.46775365       0.36233635      -0.90265818 
Hf      10.21341228       7.71382356      -6.88659163      -0.61819772       0.01503483      -0.06723352 
O       1.17202715       2.27905974      -2.55627921       0.67599837      -0.12232871      -0.21785323 
O       1.35378395       1.48183517      -7.92535192       0.41681412      -0.00699365      -0.48426149 
O       6.56277611       2.40864511      -2.70803125      -0.16216190      -0.53288006      -0.32172700 
O       6.51665192       1.45369411      -7.92687114       0.67762063      -0.55046257      -0.15124075 
O       1.27559813       7.60129605      -2.74766351      -0.73190883      -1.04279237       0.16727319 
O       1.30899420       6.54194360      -8.07696976       0.23542536       0.15581866       0.71625431 
O       6.50227248       7.62477057      -2.77222805      -0.18216211      -0.64475749      -0.44532609 
O       6.56477270       6.70656324      -8.01704775      -0.35163610      -0.32096614      -0.13446620 
O       4.11648817       1.19448230      -5.30653962      -0.06714766      -0.08480359       0.10026895 
O       3.77283228       0.49290687     -10.40856953       1.41873389       0.28932402       0.45189812 
O       9.03981485       1.50260788      -5.13220376      -0.01782499      -1.26299205      -0.34730520 
O       9.11189887       0.51802549     -10.39539161       0.60663603      -0.48707033       0.36952893 
O       3.95275572       6.43954838      -5.14569901       0.97058803       0.36494260       0.30459380 
O       3.88073715       5.66916221     -10.36853867       0.35233128      -0.40906770      -0.43948341 
O       9.33834683       6.65842609      -5.18785970      -0.94900589       0.28781301       0.49407819 
O       9.05600231       5.70338700     -10.45731965       1.25047776       0.29452803       1.33884530 
O       4.00729438       1.75064328      -2.41384581      -0.18388671      -0.28831403       0.44653372 
O       3.82663645       0.89314943      -7.80450646       0.43051142       0.84300150      -0.29144510 
O       9.00802449       1.85059589      -2.49070317       0.09848811       0.17818017      -0.50009450 
O       9.21109273       0.97819127      -7.77687259      -1.89698491      -0.30392975       0.40652105 
O       3.81206125       6.92003769      -2.46126225       0.58711676       0.54035417      -0.47273467 
O       3.87510634       6.22239919      -7.81140230      -0.33129812      -1.17646078      -0.00873955 
O       8.88139818       7.11800523      -2.48738246       0.89651298      -0.37973799      -0.64663329 
O       8.98881429       6.14180833      -7.83089537       1.03741525      -0.25723358       0.11523714 
O       1.30476306       2.99913710      -0.07717793      -0.83693035      -1.03204905       0.35955631 
O       1.04112720       1.77967285      -5.41116230       0.89732232      -0.28076471       0.08852713 
O       6.37240855       2.81531288      -0.07648773      -0.01130653      -0.20734727      -0.19358284 
O       6.50537212       2.08845281      -5.38755825      -0.20997767      -0.67990159       0.38396007 
O       1.21060652       8.00400056      -0.19865301      -0.18566088      -0.73289833       0.80010547 
O       1.53634164       7.27354886      -5.48192406      -0.66168020      -0.60953529      -0.50909885 
O       6.41145580       7.87685063      -0.05100260       0.23119739       0.44396105      -0.45501058 
O       6.54096324       7.11169483      -5.40692994       0.13038460      -0.46576555       0.71843863 
O       3.48792457       4.66725516      -0.74496306       0.15049192       0.17289582      -0.97398244 
O       3.52390575       3.68286923      -6.22932263      -0.85954807       0.87720037      -0.05892135 
O       8.65996842       4.60265069      -0.74279647       0.11339126       0.57420800      -0.42774976 
O       8.71698610       3.76649685      -6.11543559      -0.51026135       0.27705829       0.57345551 
O       3.51647201       9.73567467      -0.75831476       0.09267276       1.12829668      -1.38959724 
O       3.50491177       8.81619658      -5.98403663       0.33228724       0.38684684       0.06585255 
O       8.59363989       9.84727455      -0.83812687       0.82928390      -0.71657328       0.55071143 
O       8.70294174       8.92599660      -6.24398806      -0.75582291       0.68977886       1.35618116 
O       0.85843589      -0.02278860      -1.83412878       0.46152851       0.25840287       0.35673058 
O       1.00249109      -1.00502060      -7.12799493       0.33462007       1.21147193       0.23097092 
O       6.27597061      -0.08524910      -1.90855577      -1.10201869       0.24722871      -0.47860694 
O       6.09025863      -0.93679797      -7.08169060       0.09837903       0.73224184      -0.58591252 
O       0.78161524       5.18181401      -1.79419065       0.64771492       0.24498297       0.18914250 
O       0.83817471       4.26288355      -6.98125744       0.59711125       0.97975901      -0.82529037 
O       6.22558630       5.21135454      -1.72089950      -1.69643665      -0.60831775      -1.13180112 
O       6.11348489       4.43054673      -7.00208105      -0.57598851      -0.61186855      -0.43953784 
O       1.72685435      -0.42296755      -4.38225387      -0.04482885      -0.17678684      -0.16232094 
O       1.74732032      -1.24321544      -9.66873916      -0.44362512       0.11391479      -0.88792384 
O       6.77997681      -0.35895376      -4.62346134       0.71603513      -0.47948481       0.48792468 
O       6.82604509      -1.33223956      -9.78693280       0.02577728      -0.20433022       0.60864787 
O       1.45413737       5.91423743      -4.85055424      -1.07000124       0.12688494       1.63571658 
O       1.78917752       3.87940974      -9.64446443      -1.17803585       0.78347894       0.15991302 
O       7.04784162       4.77799899      -4.43963579      -0.13065463       0.47654317       0.45865513 
O       6.90617712       3.74218070      -9.56438046      -0.15175991       0.83757580      -0.46641496 
O       4.55294945       4.14695137      -3.47296747       0.09398741       0.80153295       0.47466101 
O       4.33932789       3.35263308      -8.74902148       0.56398412      -0.28851974       0.81062032 
O       9.50762853       4.10117945      -3.50593269       1.04957301       1.05526485       0.67146804 
O       9.42794047       3.32377494      -8.69497423       0.72256535       0.42415228      -0.03322822 
O       4.26429801       9.37234333      -3.36235032       0.63452659       0.15568350       0.04188912 
O       4.20352195       8.46383425      -8.67129720       0.63884412       0.08954414      -0.00771197 
O       9.36329912       9.47460129      -3.45218839       0.10556213      -0.51854242      -0.12983376 
O       9.55061141       8.43625853      -8.73150041      -0.08526598       0.34300568      -0.34233319 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018258798281173872 0.002406463319927131 -0.0005914090542195484 0.002406463319927131 -0.026760421112992937 0.001971400780035649 -0.0005914090542195484 0.001971400780035649 -0.02510332754070356" pbc="T T T" energy=-946.47338292 free_energy=-946.51123457 config_type=crystal 
Hf       2.87110658       2.16857684      -9.41458604      -0.40576922      -0.43834355       0.24779712 
Hf       7.97653752       3.01369461      -4.15556147       0.85686214      -1.05556536       0.48027551 
Hf       7.95883713       2.15625137      -9.48025817       0.08965284      -1.05663821      -0.26029117 
Hf       2.89444858       8.18617174      -4.17181490       1.06103800      -1.54388695       0.72810307 
Hf       2.88455993       7.33848997      -9.43687626       0.45971243      -1.84090202       1.18632233 
Hf       7.96925330       8.18653187      -4.06458440       0.52386762       0.71959051      -0.40546776 
Hf       7.91403324       7.34785440      -9.48830760       0.99199936      -0.32322666       0.48966903 
Hf       0.26927644       0.73249374      -3.75066332      -0.16465538       0.70726441       0.17572158 
Hf       0.25128222      -0.15396218      -8.91199749      -0.64308066       0.17857933      -0.10514056 
Hf       5.34158177       0.86830076      -3.76757283      -0.21288256      -1.11276489       0.78485426 
Hf       5.44604736      -0.02641141      -9.00635721      -0.96815734      -0.00155656      -0.05192925 
Hf       0.00874302       5.96991469      -3.39976769      -0.57465790       0.49408351      -0.45762842 
Hf       0.13528850       5.00673062      -8.94292045       0.73107377      -0.26637320       0.01913450 
Hf       5.33864018       5.87238955      -3.75127519      -0.23260772      -0.52418787       0.17526527 
Hf       5.41566634       5.08332022      -8.95871879       0.30389514       0.26852861       0.08650783 
Hf       2.40013258       1.20439428      -1.06055121      -0.54496554       0.90488772      -0.50374664 
Hf       2.38388466       0.39712949      -6.30156665       0.26840348      -0.47566081      -0.06116080 
Hf       7.62992445       1.22106568      -1.12194571      -0.92075054       1.87716247      -0.91633857 
Hf       7.54097417       0.32132231      -6.37473819       0.84136299       0.26550655       0.31112245 
Hf       2.33270996       6.44469455      -1.07428671       1.51396466      -1.01045187      -0.02848286 
Hf       2.50871189       5.32192953      -6.56209656       0.62585450      -0.02090675      -0.34818562 
Hf       7.43889409       6.29065212      -1.09678190       1.51402954       0.66053575       0.03742766 
Hf       7.62886651       5.45473568      -6.35218210      -0.83553362      -0.02329964       0.48961162 
Hf       4.91961423       3.44984951      -1.58370968      -1.15874595      -1.10064848      -0.56506736 
Hf       4.97599103       2.59025240      -6.72358023       0.08156603      -0.61162121      -0.59907494 
Hf      10.29681850       3.36450412      -1.54439002      -1.46837568      -0.24912180       0.09610278 
Hf      10.12855069       2.55156839      -6.77591924      -0.13621067      -1.21316423       0.46647478 
Hf       4.98864465       8.59413922      -1.51739554      -0.10167974       0.30399777      -0.59297083 
Hf       5.09293370       7.72772609      -6.78143341      -0.62953579      -0.05833966      -0.02557399 
Hf      10.27653426       8.66070894      -1.45180679      -1.46152686      -0.60723780      -0.60823659 
Hf      10.05287339       7.73630962      -6.74715824       0.68265761      -0.23254780       0.05097357 
O       1.17296103       2.19694654      -2.63167509       0.79597108       0.46861274       0.25408482 
O       1.43366849       1.32485026      -8.03795305      -0.90320468       0.50929400       0.17307126 
O       6.55772736       2.25048762      -2.80931601      -0.33116854       0.88875579       0.25097197 
O       6.52736754       1.49916445      -8.00927522       0.12229036       0.06707321      -0.37082659 
O       1.39122216       7.51361099      -2.73536354      -0.94689094      -0.01044919       0.09811549 
O       1.39845110       6.40234342      -8.08649148       0.22629056       0.62701581       0.06060376 
O       6.55449899       7.42528758      -2.68763880      -0.53453264       0.12572390      -0.33049012 
O       6.64776082       6.63339800      -7.99233042      -0.15830257      -0.04448371      -0.07665863 
O       3.87013604       1.22176313      -5.12289972       0.89579746       0.37856160      -0.59351987 
O       3.89793465       0.55450679     -10.33865611       0.17405809      -0.18297818       0.14371422 
O       9.08454237       1.38043731      -5.04814049      -0.31506673       0.37996983      -0.55503332 
O       9.03637722       0.51456185     -10.39714164       1.00547447       0.77479860       0.71683485 
O       3.98036865       6.45224220      -5.23755603       0.12451296       0.54073873       0.62715529 
O       3.95467709       5.61385782     -10.36742792      -0.34670502       0.47754626      -0.41078212 
O       9.22708475       6.73823875      -4.92628214      -0.42893849      -0.32988744      -0.96392639 
O       9.09386496       5.69999293     -10.31174458      -0.06198208       0.81674419       0.16024957 
O       3.88881260       1.70275586      -2.31546048       1.12384825       0.01297648      -0.96618846 
O       3.84496607       1.03782438      -7.76344151       0.97616747       0.23502948       0.23635447 
O       9.05239937       1.95553727      -2.50991966      -0.22195679      -0.28719722      -0.12853893 
O       9.04379631       0.91707320      -7.73177458       0.55017065       0.23663909      -0.24697616 
O       3.78629800       6.99057591      -2.45941258       1.23873629       0.27841201      -0.66619644 
O       3.97034732       6.20593863      -7.76917735       0.00582497      -0.20265932      -0.44823113 
O       9.07514549       7.06779134      -2.34046405      -0.63685065       0.22201427      -0.12798730 
O       9.14639382       6.03374756      -7.57479829       0.40522218       0.11380912      -0.62093373 
O       1.21833347       2.70108310      -0.07568685       0.21044430       0.39969372       0.24743048 
O       1.12254638       1.74998619      -5.43935322      -0.06369409      -0.45190526      -0.06294317 
O       6.40415703       2.91091512      -0.23828274       0.50279940      -0.82960358       1.23787360 
O       6.42546347       1.86971431      -5.36659078      -0.29032605       0.75734291      -0.41780903 
O       1.33303256       7.96324131      -0.17500579      -0.48181168       0.11544256       0.98187678 
O       1.42341098       7.19635815      -5.50769712       0.09371664      -0.27796226      -0.18016033 
O       6.39064206       8.07982944      -0.06904240       0.65530418      -0.63844135      -0.23016128 
O       6.58225386       7.07155723      -5.40166830      -0.58663084      -0.03339460       0.43843405 
O       3.43696194       4.59958702      -0.86786337      -0.46346136       0.69879828       0.73929935 
O       3.54052284       3.71944079      -6.13410584      -0.45231444       0.58535497       0.08464465 
O       8.58738732       4.65059520      -0.95558201       0.61355994      -0.31775446       0.88082313 
O       8.66081128       3.72210228      -6.02603876       0.23678945       0.03161810       0.14032712 
O       3.54497758       9.81974973      -0.76351759       0.21990906      -0.66124433      -0.16269546 
O       3.64997920       8.92172334      -5.95713654      -0.20855561       0.18244284      -0.86049683 
O       8.86361695      10.01492602      -0.85078365      -0.28810197      -1.87552687       1.55036577 
O       8.61139504       8.85632222      -6.05248952      -0.14272624       0.58505095       0.40765337 
O       0.97647795      -0.06501885      -1.78208337       0.84113058       0.62119484      -0.39490646 
O       0.93149982      -0.99270622      -7.05169936       0.16361508       0.38104908      -0.01651705 
O       6.17393324      -0.01736997      -1.78419041      -0.65623772      -0.59263812      -0.48430140 
O       6.18407791      -0.90117656      -7.22399390       0.05053351       0.33908110       0.73867581 
O       0.91915469       5.18981472      -1.80004693      -0.10092866      -1.25626467       0.68945354 
O       0.92186760       4.11469973      -7.08586007       0.13376016       0.39279866      -0.07487223 
O       6.03313695       5.08316053      -1.79419453       0.14551026       1.09884927      -0.82826392 
O       6.22413145       4.26540628      -7.16782564      -0.53540766      -0.19540343       0.40785247 
O       1.70138078      -0.61746307      -4.42504018      -0.97056515       1.96697884      -0.38621410 
O       1.74460742      -1.39407214      -9.60958222      -0.93369896       1.03211009      -0.42880957 
O       6.98204280      -0.34675567      -4.49375685      -0.96657139      -0.53907408       0.71366283 
O       6.87326036      -1.24233559      -9.73021389       0.52667568      -0.29645029      -0.49752760 
O       1.35121797       5.80126793      -4.96414935      -0.02404658       0.05021962       0.45678642 
O       1.69749252       3.80456684      -9.62936249      -0.56782559       0.44958223      -0.67905029 
O       6.84675575       4.68049235      -4.47997935       0.03947662       0.44719236       0.04155640 
O       6.82918649       3.85131187      -9.77776348       0.06085593      -0.10535792       0.29461848 
O       4.30258801       4.19755574      -3.43817788       0.45714599       0.26195133       0.08327076 
O       4.31393598       3.42463229      -8.68774731      -0.29382954      -0.88051598       0.22799295 
O       9.51858052       4.21188812      -3.44940017       0.24325518      -0.12217110      -0.07646645 
O       9.35502824       3.30343993      -8.63075948       0.68063125       0.43286636      -0.28508890 
O       4.46433561       9.25158908      -3.48194159       0.01239014       0.27255560       0.70470585 
O       4.39259582       8.48391942      -8.66676231      -0.34837817       0.07199157      -0.14764806 
O       9.47729988       9.40188002      -3.31535621      -0.24435397      -0.69900590      -0.54181667 
O       9.40945853       8.44927370      -8.56961415       0.00427934      -0.19264513      -0.76563458 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015232639624846035 0.001169414692285591 0.0008031815801665205 0.001169414692285591 -0.015175970972450731 -0.00029162473346209497 0.0008031815801665205 -0.00029162473346209497 -0.012339934001863076" pbc="T T T" energy=-946.99777693 free_energy=-947.03602962 config_type=crystal 
Hf       2.85804670       2.17674420      -9.37681691      -0.47584444      -0.54981435      -0.49903076 
Hf       8.08044971       2.94918943      -4.11985769      -0.65915732       0.43669231      -0.44123733 
Hf       8.05155721       2.05533094      -9.45009398      -1.09059353       0.78359694       0.10121486 
Hf       2.82223219       8.16731651      -4.10553668       1.61140414      -1.19157681       0.19923602 
Hf       2.79096696       7.27269800      -9.41913353      -0.89311953      -0.38162085       0.15800970 
Hf       7.97515935       8.20166707      -4.29268609       0.33008819      -0.14832092       1.08346448 
Hf       7.98581138       7.26701748      -9.40430891       0.33290743      -0.64587403       0.08261998 
Hf       0.35479044       0.85639614      -3.71474113      -0.10630563      -1.00332139      -0.05894840 
Hf       0.23201020      -0.08384634      -8.96347083       0.79314433      -0.37272162       0.07020055 
Hf       5.35245220       0.83738936      -3.65371919      -0.35591148      -0.06552714      -1.45638295 
Hf       5.33237254      -0.15144127      -9.00490162       1.31834876       0.23906052       0.71664781 
Hf      10.29532812       5.99881251      -3.39178105       0.60636713       0.29587937      -0.15476285 
Hf       0.19820631       4.99960063      -9.03974718       0.53974895       1.06876591       0.36683792 
Hf       5.39808773       5.88121054      -3.73704564      -0.08948686       0.17794048       0.82461568 
Hf       5.43373330       5.01638156      -8.97361083      -0.46245692      -0.19379050       0.78310348 
Hf       2.39688375       1.29991094      -1.16605510       0.45894215      -0.41180621       1.49180890 
Hf       2.36853705       0.35950558      -6.28931699       0.67432670       0.84270537       0.13441557 
Hf       7.53022021       1.26331211      -1.10700569       0.00434984      -0.76647622       0.23641021 
Hf       7.58804927       0.41008930      -6.33667315       0.10196649      -0.30113179      -0.07950988 
Hf       2.41299193       6.44503786      -1.08882540      -0.77620179      -0.17066630      -0.03362467 
Hf       2.50274839       5.26542881      -6.42930742       1.57961876       0.70962405      -1.16576560 
Hf       7.51190254       6.40803759      -1.09693574      -0.24267655      -1.01112268       0.92937690 
Hf       7.56074129       5.41159191      -6.27600529      -0.05743894       0.91750305      -1.50930404 
Hf       4.88794326       3.49723878      -1.59971488       0.32392417      -0.29609786       0.19122257 
Hf       5.02995885       2.47259161      -6.73623427      -0.72065787       0.39463063       0.09855596 
Hf      10.20247743       3.30873236      -1.53028942       1.04720657       1.41155270       0.95536412 
Hf      10.17343157       2.58375463      -6.79368098       1.13751016      -1.17984625       0.14498625 
Hf       4.95912831       8.66170100      -1.48305600      -0.35685088      -0.89443262      -0.47612110 
Hf       5.01433237       7.75711129      -6.78372212      -0.03664132      -1.02132806       0.12895061 
Hf      10.17421105       8.66088302      -1.55073038       0.32010167       0.85807830       0.41770969 
Hf      10.15351950       7.70221461      -6.86985369      -0.28535827      -0.30570760      -0.20383517 
O       1.32447678       2.27521145      -2.58604669      -0.94890783       0.92116028      -0.33437633 
O       1.29577338       1.45407405      -8.00585623       0.08574018       0.63222853       0.47985460 
O       6.53546771       2.37557061      -2.84004408       0.35607207       0.19871886       1.31383100 
O       6.54707543       1.49927287      -7.94239248       0.04896570      -0.49727916      -0.39658134 
O       1.25457575       7.47938349      -2.71845760       0.28549934       0.35701925      -0.02609070 
O       1.23751344       6.68095790      -8.03877703       0.42328302      -0.74222241      -0.24053598 
O       6.55960426       7.41847958      -2.72478935      -0.86261984       0.55219288      -0.23435911 
O       6.52785090       6.54393594      -7.98785948      -0.02630118       0.47636730       0.18079256 
O       4.07057792       1.19087576      -5.20237140       0.09080184       0.00746942      -1.15532579 
O       4.01695184       0.55808416     -10.33949248      -0.80492069       0.47563078      -1.40793164 
O       9.16210208       1.42124660      -5.12530708      -0.62478889       0.21592964       0.05254536 
O       9.18327604       0.53831797     -10.40054393       0.26864020      -0.53452830       0.03994383 
O       4.08523562       6.63796247      -5.12846377      -1.04097294      -0.56784198      -0.26319750 
O       3.90928335       5.69281259     -10.33584678       0.07930377      -0.08211462      -0.63913296 
O       9.17553486       6.53543825      -5.12197325       0.09127939       0.56174363       0.01143546 
O       9.16649229       5.70501544     -10.40640389      -0.62915948      -0.16531662      -0.18647026 
O       3.96872643       1.74585953      -2.42549212      -0.00037084       0.32234533       0.39467467 
O       3.74861479       0.97251915      -7.89538629       0.84036170      -0.63878667       1.69637278 
O       9.01249305       1.83020749      -2.47761797       0.39571093       0.24577946      -0.71880044 
O       9.05540580       0.92285638      -7.78818571      -0.03444923       0.77241596       0.24094556 
O       3.82469450       7.05563186      -2.50706371       0.21200230      -0.15272461       0.33883516 
O       3.81722918       6.07752215      -7.79224251       0.11086915       0.29078402       0.29342966 
O       8.90891241       7.19473901      -2.47876022       0.84762769      -0.99115992      -0.21781188 
O       9.02059311       6.15528474      -7.77761131       0.08041921      -0.58252378       0.13772952 
O       1.35450400       2.84459457      -0.05108745      -0.63988516       0.03977853      -0.45995824 
O       1.18681576       1.84750185      -5.29324756       0.06205451      -0.14769154      -1.76719328 
O       6.59927181       2.81406233      -0.13867881      -1.19481869      -0.37851575       0.25092186 
O       6.54307330       2.06096329      -5.32202168       0.10561425      -0.82537230      -0.48460495 
O       1.27631713       8.03323726      -0.18142155       0.05283109      -0.57902713       0.60511353 
O       1.33909312       7.23518307      -5.40208024       0.38214157      -0.00280511      -0.11256765 
O       6.37974888       7.92824537      -0.06967359       0.90244828       0.18470563      -0.65066470 
O       6.47181957       7.08210189      -5.35925623       0.73424702       0.13799557      -0.37740279 
O       3.47812818       4.75156177      -0.79806389       0.29220567      -0.95876699       0.29592018 
O       3.51158982       3.69262873      -6.14260985       0.30716071      -0.40961276       0.03177331 
O       8.60330702       4.56252605      -0.86998376       0.09919638       0.82572350      -0.34938203 
O       8.74775851       3.77338511      -6.04041626      -0.19494395      -0.03641037       0.08864040 
O       3.46280343       9.81539882      -0.81862876       0.10537513      -0.26398768       0.36972784 
O       3.48541646       8.82671633      -6.04469210      -0.20886665       0.95578081      -0.30738108 
O       8.74726300       9.88318743      -0.76801877      -0.62511629      -0.03268739      -0.02928866 
O       8.68166543       8.89086589      -6.14232591      -0.52903663       0.44349105       0.55839849 
O       0.99424546       0.00383047      -1.83434740      -0.34942931      -0.48690174      -0.05580119 
O       0.87932267      -0.83746370      -7.00250874      -0.34879039      -0.69565415      -0.40653495 
O       5.99412659       0.08100161      -1.78532731       1.24346589       0.07234201       0.44982486 
O       6.15500919      -0.83087425      -7.10507068      -0.83394898      -0.46629308       0.10012920 
O       0.80269258       5.20421721      -1.67386392       0.04741813      -0.08073933      -0.28363848 
O       0.98366938       4.23094598      -7.12224208      -1.16015319      -0.39073286      -0.13614580 
O       6.04376341       5.14503891      -1.73252355       0.41553896       0.51885896      -0.34113425 
O       6.01724614       4.29094333      -7.02743030       0.57850293      -0.02305079       0.42517776 
O       1.86215927      -0.46649533      -4.41447261      -1.65639278       1.59647134       0.24050711 
O       1.74743160      -1.26827671      -9.67457528      -0.31064865       0.02216436      -0.08531133 
O       6.93602854      -0.41080686      -4.45893618      -0.47780013       0.76232064      -0.00424407 
O       6.81357476      -1.42806656      -9.71336864      -0.29340334       1.15006010      -0.36810264 
O       1.51279453       5.89702781      -4.77452832      -0.86939556      -0.22652114       0.90699443 
O       1.81083796       3.91463996      -9.66182841      -0.35097189       0.30735771       0.32444420 
O       6.99978734       4.81753226      -4.42419310       0.17376558      -1.14994215       0.85166259 
O       6.93173299       3.84836137      -9.65114448       0.68966519      -0.33654851      -0.41916728 
O       4.28537452       4.20289321      -3.34721761       0.40821387       0.93055026      -0.53700876 
O       4.50482825       3.17753279      -8.69745825      -0.70440036       0.66636582      -0.36299194 
O       9.65386050       4.16270279      -3.39864276      -0.78522355      -1.20723022      -0.47472212 
O       9.53974233       3.28624720      -8.79850874       0.24794781      -0.02680397       0.87111035 
O       4.32937232       9.33694616      -3.35804718       0.10606617      -0.02059053      -0.39005961 
O       4.30707278       8.36348650      -8.68530214       0.73275586       1.21306886       0.13425615 
O       9.59368147       9.36811222      -3.42947615      -0.45851014       0.05586262      -0.78667884 
O       9.45326308       8.47228762      -8.70770147       0.51747830       0.46973392       0.29734272 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01940456827067939 -0.006277504096257501 0.0012828314826949197 -0.006277504096257501 -0.020708633317488487 -0.006489781373047483 0.0012828314826949197 -0.006489781373047483 -0.014176193925897536" pbc="T T T" energy=-946.08300316 free_energy=-946.11501224 config_type=crystal 
Hf       2.77395077       2.08033331      -9.46994943       1.72276511      -0.03105331       1.10602653 
Hf       8.04249064       3.05069014      -4.12605545      -0.69061422      -0.28016968      -0.22579975 
Hf       7.96823640       2.02393367      -9.45076014       1.09232662       0.65378491      -0.07329598 
Hf       2.94530742       8.18229547      -4.05943565      -0.81970232      -0.05372417      -1.33888540 
Hf       2.80481650       7.24785196      -9.47806113      -0.51142934       0.35029453      -0.33065091 
Hf       7.97678533       8.20103438      -4.23737929      -0.19390130       0.90814535       0.51391264 
Hf       8.03362502       7.24394121      -9.37310075      -0.31572939       0.44504710      -0.85582401 
Hf       0.16777698       0.81681403      -3.67336347       1.61056410       0.33700873      -0.81410056 
Hf       0.29779832      -0.12268416      -8.94845636      -0.41998068       1.28856161      -0.47084833 
Hf       5.38826589       0.88680058      -3.70678694      -0.92556237       0.53447513      -0.72679670 
Hf       5.39310610      -0.12472063      -8.96909683      -0.10008031      -0.23816274       0.35668520 
Hf      10.35957776       5.98702975      -3.37195605      -0.23918596      -0.78709646      -0.90979074 
Hf       0.24747075       4.98693818      -9.04176760      -0.45142833       0.26356445       0.31710137 
Hf       5.44101378       5.84244906      -3.69136515      -0.39729608       0.81099308       0.35345667 
Hf       5.44622243       5.06180255      -8.88777873      -0.11896858      -0.63013165      -1.28512397 
Hf       2.33317015       1.19713169      -1.19371553       1.44958938       0.71394006       0.49146991 
Hf       2.36592451       0.40157276      -6.19810470       0.28737812       1.11066708      -0.47317395 
Hf       7.55479898       1.23892663      -1.10632147       0.89837377      -1.22050400       0.63624475 
Hf       7.61946163       0.46557178      -6.31041949      -1.08138138      -1.49763877      -0.39859789 
Hf       2.44191705       6.43500941      -1.06739770       0.13566608      -0.88926874      -0.29743191 
Hf       2.49932322       5.33975289      -6.50475686       0.38718070       0.14337538       0.46851628 
Hf       7.46959108       6.34160229      -1.07111627       0.60385691      -0.50988324       1.43638835 
Hf       7.61165924       5.55944014      -6.30537122       0.05024662      -0.13049432       0.10374752 
Hf       4.94780611       3.37798435      -1.58695730      -0.51012866       0.40490559       0.09655409 
Hf       5.02852374       2.56452174      -6.71724649      -1.44504877      -0.02820920      -0.27229786 
Hf      10.19909341       3.32515458      -1.51469542      -0.06032202       0.82102850       0.87677350 
Hf      10.13511663       2.58805325      -6.82891527       0.38782215      -0.15296728       0.27743613 
Hf       4.97477163       8.62313993      -1.57897895       0.98092592      -0.19954779       0.99210108 
Hf       4.90266153       7.70991007      -6.80837487       0.76983458       1.22440027       0.42848646 
Hf      10.17754924       8.57630825      -1.57979800      -0.00956426       1.22794529       0.83675732 
Hf      10.14976819       7.79688313      -6.88345143      -0.05825436      -0.56764427       0.66435855 
O       1.19573125       2.23352198      -2.50827033      -0.15681465       0.84512318      -0.96509171 
O       1.43035440       1.44434293      -7.99666569      -0.91999678       0.27398795       0.80492913 
O       6.57679095       2.36491673      -2.70096457      -0.12299773       0.42424564       0.23948338 
O       6.66079171       1.48468951      -7.86265103      -1.12153177       0.23971963      -0.60793942 
O       1.37469785       7.53423505      -2.78291869      -0.58435921      -0.47235373       0.65532532 
O       1.29978704       6.54332716      -8.08588538       0.57490069       0.31829756       0.11353462 
O       6.56132365       7.49698224      -2.52891521      -0.26261816       0.27647233      -2.32379095 
O       6.46307603       6.76744223      -7.97415139       0.96855189      -0.89462405       0.22571390 
O       4.01726137       1.37216144      -5.30368556      -0.02699946      -0.53591547       0.24932805 
O       3.95910782       0.47555373     -10.42391466      -0.09364262       0.59005410       0.00072177 
O       8.94516820       1.48323688      -5.16282672       0.89243398      -0.13115835       0.33746140 
O       9.16908113       0.39665898     -10.42182883       0.29977525       0.69590699      -0.22186845 
O       3.99483402       6.50932810      -5.09647531      -0.11919131       0.95190280      -0.67732784 
O       3.98293952       5.67784374     -10.42981578      -0.58701793      -0.05463489       0.37354821 
O       9.25020004       6.76931010      -5.11048782      -0.65873310      -0.25820424       0.06698653 
O       9.13033427       5.61696959     -10.42025720       0.35906660      -0.22403105       0.66048981 
O       3.90386865       1.76737924      -2.46775361       0.62031315       0.11653724       0.11325908 
O       3.83998309       0.95423873      -7.78212803       0.85869220       0.26235853      -0.27724494 
O       9.04665239       1.87707025      -2.53614392      -0.51339046      -0.45343218      -0.12172078 
O       9.12056625       1.02440128      -7.84758973      -0.18903972      -0.20293047       0.82278660 
O       3.87082554       7.03706944      -2.50796256       0.22073729       0.21248808      -0.05952855 
O       3.90234263       6.15148383      -7.84363437      -0.80805717      -0.02077793       0.37070503 
O       8.96428094       7.03966226      -2.48316269      -0.38027875       0.73471627       0.19725679 
O       9.12490129       6.19470784      -7.68640386      -1.14378694      -0.67005812      -1.03721610 
O       1.30944088       1.10403987     -10.46983635      -1.02936579      -0.08712507      -1.78737061 
O       1.01062358       1.80736315      -5.39859552      -0.01948193      -0.65382023       0.09932776 
O       6.57598414       2.73425158      -0.05619388      -1.70919965       0.17364248      -0.37970149 
O       6.42317605       2.04394592      -5.25225590       0.51003559       0.14679285      -0.51567031 
O       1.25181536       8.02509524      -0.13993437       0.08059617      -1.02973858      -0.42555241 
O       1.43527535       7.13638921      -5.49743658       0.29683738      -0.40459692       0.15837797 
O       6.48327269       7.88895440      -0.02898256      -0.17122012       0.38598388       0.41660935 
O       6.51536446       7.19551484      -5.31688511      -0.49458600      -0.90920711      -0.50256720 
O       3.58240487       4.69992730      -0.80149558      -1.04434333       0.06164538       0.15074353 
O       3.71309224       3.92451807      -5.95712352      -0.16662930      -0.40155779      -0.57846950 
O       8.51420193       4.49301252      -0.95091502       0.34286075       0.53317397       0.47546127 
O       8.73343851       3.86829132      -5.98530877       0.14366074      -0.13167446      -0.61288386 
O       3.46932075       9.71458723      -0.83953532      -0.56643842       0.63436244      -0.23710298 
O       3.43308116       8.97391683      -6.03013420       0.94289710      -1.68199818       0.08497095 
O       8.71097884       9.68707718      -0.78232939      -0.63095343       1.18109618      -0.17220802 
O       8.66789891       8.96148530      -6.15696331      -0.49135029       0.60172333       0.71699090 
O       0.93422457      -0.02839887      -1.88143161      -1.02818749      -1.54042846      -0.14183277 
O       0.97940770      -0.95091437      -7.16278862       0.59067177       0.48126223       0.49702064 
O       6.08350006       0.03567323      -1.85045961       0.46260129       0.00863430       0.35973775 
O       5.99199107      -0.85895288      -7.14910384       0.33984455      -0.02363454       0.71719027 
O       0.84478449       5.15777885      -1.80099797       1.00754005       0.12263729       1.24071435 
O       0.97884112       4.18846810      -7.07047766      -0.30217001      -0.13227706      -0.79028874 
O       5.96194950       5.19411454      -1.70719613       0.40505633      -0.26745330      -0.58253422 
O       6.11514786       4.38895507      -7.04765464       0.58834341      -0.09199600       0.26795130 
O       1.81959927      -0.41889207      -4.28672165      -0.93825160       0.59759376      -0.80177802 
O       1.57982607      -1.27572340      -9.93403066       0.90044960      -1.80319485       1.38298593 
O       6.79619855      -0.37333707      -4.51970275       0.97879196      -0.55407572      -0.08677108 
O       6.91230490      -1.35318227      -9.69181136      -0.16798631      -0.05818331      -0.38690903 
O       1.25221820       5.75513949      -4.87558322       1.41170285       0.39842459      -1.21113979 
O       1.82125922       3.89288403      -9.68162484      -0.53225607       0.30932979      -0.30697587 
O       7.00974176       4.79061708      -4.41594416      -0.17484455       0.60704154       0.06559172 
O       6.76599272       3.67477886      -9.66053915       0.54939751       0.58857560      -0.26182367 
O       4.41811989       4.24167433      -3.37129188      -0.27054316      -0.62143826       0.08887829 
O       4.27710821       3.32925998      -8.64587581       0.34611626       0.41353093       0.64347312 
O       9.55402265       4.18214130      -3.43335475       0.44319929      -0.16050539       0.20484438 
O       9.45168926       3.33683262      -8.78167798       0.46199612       0.20681552       0.38558690 
O       4.31470694       9.45817313      -3.41830332       0.20003656      -1.13391840       0.31069385 
O       4.24498650       8.44600711      -8.80167467       0.32258703       0.43053118       0.91117327 
O       9.50303727       9.39872482      -3.44320241      -0.70054408      -0.76846784      -0.18626022 
O       9.43065483       8.60303973      -8.69862130      -0.09308323      -1.53798701       0.46650363 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01244968323781947 0.0010725638470132893 0.004138651802751359 0.0010725638470132893 -0.018775684946007672 -0.004217000967487841 0.004138651802751359 -0.004217000967487841 -0.01809966819733037" pbc="T T T" energy=-946.68044058 free_energy=-946.71655203 config_type=crystal 
Hf       2.81369272       2.15059570      -9.44286832       0.00809168      -0.66522708       0.79588646 
Hf       8.00764336       2.98991646      -4.18742402      -0.02071802       0.57789707       1.17043737 
Hf       8.10107653       2.09329993      -9.42296425      -0.54274964       0.64633579      -0.16047668 
Hf       2.85457281       8.17544264      -4.11074234       0.65173944       0.28106843      -0.68107440 
Hf       2.81854623       7.30975822      -9.36481180       0.21162468      -0.47051288      -1.00526661 
Hf       7.98274593       8.21532820      -4.06260766      -0.97349877      -0.04673305      -1.27308072 
Hf       8.02999434       7.19715522      -9.44622284      -0.53584405       1.12905558       0.84639995 
Hf       0.32262780       0.81407871      -3.75283747      -0.43483502      -0.51994284       0.09026043 
Hf       0.24661802      -0.18267260      -8.95652900      -0.55261582       0.96331377       0.28053940 
Hf       5.39325468       0.89496940      -3.70763014      -1.33619545      -0.62143681      -0.16020919 
Hf       5.42564695       0.04498360      -9.02408619       0.04673524      -1.82345011       0.54160022 
Hf       0.06224202       5.92854364      -3.45452572      -0.54879718       0.41724954      -0.27616511 
Hf       0.25813566       4.96626734      -8.95266615      -1.10290676       0.22541695      -0.33664681 
Hf       5.32875547       5.88908371      -3.78668757       0.63929474      -0.34851125       0.71834246 
Hf       5.40623206       5.03459240      -8.99002555       1.27306938      -0.04096565       0.37984465 
Hf       2.40358881       1.20026887      -1.13277738      -0.49920365       0.79508341      -0.17793363 
Hf       2.35294340       0.42501839      -6.35175472       0.42174363      -0.69620540       0.39347668 
Hf       7.55781195       1.21621584      -1.08634138       0.32639195       0.44040381      -0.00814792 
Hf       7.57080367       0.42945123      -6.28350533      -1.25379284      -1.37786881      -0.53256574 
Hf       2.43526373       6.38267262      -1.14466184      -0.38050046       0.36855093       0.40684193 
Hf       2.49079622       5.34162149      -6.60006122       0.12247788      -0.03112801       1.15971716 
Hf       7.52204555       6.40528180      -1.10040355       0.54251018      -1.82782726       0.37890334 
Hf       7.53220871       5.52445026      -6.30375623       0.19256793      -0.99311789      -0.70302348 
Hf       4.88026587       3.45949658      -1.58757935       1.12715431      -0.65068950      -0.31688680 
Hf       4.91002980       2.57066164      -6.70089928       0.97324662      -0.33700963      -0.38732538 
Hf      10.22334395       3.38142662      -1.52502590       0.56067312      -0.68435411       0.26236754 
Hf      10.09453577       2.51116879      -6.73988407       1.49654415       0.04671676      -0.43978237 
Hf       4.92369834       8.63920441      -1.50150690       1.14561051       0.08443176      -0.94309351 
Hf       5.00960520       7.75992587      -6.81621061       0.22384921       0.48457359       0.19022458 
Hf      10.24201552       8.62681030      -1.48264133      -0.08216391       0.11211094      -0.39713025 
Hf      10.03178359       7.65838135      -6.76874114       0.35017638       1.66360793      -0.12689252 
O       1.25731245       2.21133333      -2.63894643       0.22063815       0.83691800       0.35625581 
O       1.31179241       1.47953968      -8.03359468       0.08737124      -0.26880728       0.20042164 
O       6.51304078       2.35642004      -2.75509750       0.57351922       0.32271511       0.61491042 
O       6.60530618       1.40790980      -7.96187757      -0.36388843       1.19402439      -0.11896396 
O       1.33284211       7.52442674      -2.70270126       0.41503732      -0.04463829      -0.40043660 
O       1.36361057       6.50227904      -8.03185389      -0.10822244       0.79669132       0.02875561 
O       6.49321516       7.49602518      -2.74871556       0.37909437      -0.38240128       0.14260607 
O       6.58020333       6.57761828      -7.98105531      -0.32205575       0.28928631      -0.35910023 
O       4.07046737       1.19762698      -5.31868239      -0.08980523       0.17577153       0.40722121 
O       3.85177171       0.59663935     -10.36209037       0.97504098      -0.26975318      -0.27312864 
O       9.11141125       1.39217200      -5.10034310      -0.74781867       0.22983426      -0.46620021 
O       9.17548332       0.52028268     -10.39590309       0.13848101       0.05131985       0.07183711 
O       4.03578872       6.66381092      -5.23353787      -0.45861369      -0.47006938       0.51751441 
O       3.90192130       5.75088473     -10.47288047       0.38524128      -0.63765231       1.06805083 
O       9.17082546       6.61647701      -5.08302406       0.16402683       0.24416179       0.54613028 
O       9.09032207       5.66161321     -10.18724964       0.50600667      -0.16690869      -1.32925981 
O       3.95950910       1.70039624      -2.36023319       0.26386561       0.32185959      -0.19906071 
O       3.84872829       1.03351586      -7.81419020      -0.02947390       0.37189680      -0.42941241 
O       9.04032002       1.85070443      -2.51807725      -0.16278986       0.27606727      -0.02617581 
O       9.00588326       0.94149439      -7.78524482       0.57595375       0.27661715       0.59933228 
O       3.92829281       6.94838076      -2.52275599      -0.62103996       0.65363068      -0.00982710 
O       3.91648247       6.15368901      -7.81140566       0.13195485       0.05789235      -0.42815973 
O       9.11115098       6.98865694      -2.31733798      -0.39568008       0.48269028      -0.74446967 
O       9.08162446       6.12350179      -7.66668260      -0.25467463      -0.08842447      -0.13755752 
O       1.37970566       2.71055774      -0.07322530      -1.07700366       0.83990055      -0.27476163 
O       1.21611774       1.76754812      -5.38689839      -0.83631153       0.73997367      -0.53447331 
O       6.46162253       2.82613966      -0.10862540       0.04899737       0.15376868       0.01278842 
O       6.44144790       2.08784279      -5.21864311       0.29971620      -1.09074751      -1.52497083 
O       1.22600172       7.86838250      -0.15217605       0.54506794       0.03659698       0.53444799 
O       1.48771319       6.96376747      -5.37869901      -0.77155312       0.62528428      -0.78668930 
O       6.52914729       7.93739593      -0.20058763      -1.22139234       0.81566022       0.72375621 
O       6.47732840       7.04574219      -5.33962035       0.07965044       0.34531598      -0.58407226 
O       3.61667061       4.77778141      -0.79947569      -0.60273189       0.02293162       1.29831812 
O       3.60137392       3.83827688      -6.09575477      -0.45395470       0.02974240       0.46962841 
O       8.89380118       4.72169675      -0.74663139      -0.67477040       0.03548499       0.30168801 
O       8.76638665       3.80960355      -5.99978425      -0.50946974      -0.07127296       0.57951063 
O       3.50593989       9.82672916      -0.73464308      -0.32666554      -0.10319758      -0.17819205 
O       3.50712615       8.94263917      -6.00578250      -0.16679446      -0.21100715      -0.64788654 
O       8.77669403       9.80832243      -0.84821079      -0.83533308       0.12386954       0.75939238 
O       8.48696533       8.91171070      -6.04104115       1.03783922      -0.60754894      -0.36594860 
O       0.94759012      -0.02691495      -1.91178890       0.29458846      -0.80739837       0.41225047 
O       0.79593483      -0.86061790      -7.05200440       0.30124623      -0.75066817      -0.00152127 
O       6.12626090       0.02721016      -1.76943793      -0.46192217      -0.57033734      -0.36951224 
O       5.95180089      -0.76886752      -7.12952549       0.90116170      -0.05634736       0.68558409 
O       1.06876528       5.11015509      -1.91001997      -0.40772869      -0.90344276       0.23306815 
O       0.87187916       4.23518305      -7.09762356       0.71607434      -0.33976562       0.68276697 
O       6.25675366       5.01576162      -1.84392121      -0.17416967       0.81319976      -0.23013184 
O       6.17167428       4.22211180      -7.12562883       0.03964763       0.45583143       0.07471506 
O       1.61234883      -0.56021963      -4.54780882       0.36682363      -0.01414480       0.37156716 
O       1.55338235      -1.44091028      -9.71345590       0.96442240      -0.35698614      -0.39948908 
O       6.74228902      -0.45332893      -4.43498203       0.93933516       0.38519744      -0.26344406 
O       6.93780019      -1.28163303      -9.70380513      -0.10593371      -0.22955181      -0.01191413 
O       1.68695292       5.65521343      -4.70251058      -0.07112644      -0.58730684       0.28161086 
O       1.63870891       3.74173398      -9.71698262       0.35285250       0.54942024      -0.77908318 
O       6.84967096       4.70353519      -4.52846097       0.18819920      -0.23338840       0.67089392 
O       6.97367196       3.88156167      -9.69769715      -0.52094801      -0.60001594      -0.11853322 
O       4.21813684       4.25331056      -3.27790073       0.41617333       0.70684715      -0.91619537 
O       4.28867281       3.44772671      -8.59575053      -0.92177139      -1.06804823      -0.70481908 
O       9.57333956       4.16920001      -3.37503482      -0.38207494       0.01524010      -0.31120873 
O       9.45892298       3.34047188      -8.55832686      -0.34425904      -0.53774680      -0.43001426 
O       4.27906075       9.37034295      -3.38062774      -0.15703057      -0.09047405       0.50099135 
O       4.38215367       8.40368808      -8.79209089      -0.08473332       0.80965687       0.65794512 
O       9.51523475       9.27803402      -3.47398508       0.36435457       0.51892196       0.52007341 
O       9.45722531       8.42736387      -8.65597075      -0.05860125      -0.24647306       0.39481237 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017776074934721706 -0.00465840860059066 0.0021063787326486495 -0.00465840860059066 -0.022791531929711204 -0.0038674286277539474 0.0021063787326486495 -0.0038674286277539474 -0.012158710155359171" pbc="T T T" energy=-946.3750924 free_energy=-946.40850049 config_type=crystal 
Hf       2.84539496       2.12338003      -9.39714279      -0.43802199       0.92966540       0.31650131 
Hf       7.91957127       2.97314259      -4.20105620       1.81548355       0.03971233      -0.49363528 
Hf       8.04767706       2.07796967      -9.39547939      -0.09821380       0.63038523      -0.18252621 
Hf       2.87919168       8.11627837      -4.12382187       0.34326667       0.57480851       0.65609331 
Hf       2.92625224       7.21515658      -9.52198256      -1.73334021       0.37859526       2.18590133 
Hf       7.91230461       8.16158982      -4.25029753       0.33610060       0.75152854       0.55650823 
Hf       7.93103644       7.24659969      -9.47721300       0.98788127       0.69761325       0.36288164 
Hf       0.26016530       0.87789849      -3.72388735      -0.79825196      -1.64410533       0.88906483 
Hf       0.22663758      -0.11761457      -8.97681476       0.16410666      -0.43038349       0.78949470 
Hf       5.32819699       0.86111250      -3.73471230      -0.08686503      -0.27970839       0.19175923 
Hf       5.41698352      -0.06698237      -8.98923528      -0.14565326       0.04550067      -0.06489076 
Hf      10.21674382       5.98759697      -3.39765917       1.09865181       0.12115496      -0.59338374 
Hf       0.23936143       5.06649410      -8.90136964       0.04180803      -0.62842247      -0.07324494 
Hf       5.44302513       5.87515849      -3.71974781       0.24686077       1.50400069      -0.71165520 
Hf       5.50734604       5.08575972      -8.86326144      -1.11358322      -0.95787196      -0.42818401 
Hf       2.41333647       1.25718825      -1.06310831      -0.38704931       1.03403146      -0.02394306 
Hf       2.42558839       0.36471662      -6.34173801      -0.46133487       0.38190768       1.37022112 
Hf       7.59245361       1.33582811      -1.09527024      -0.78942476      -0.41630035      -0.07935514 
Hf       7.51927497       0.33321466      -6.33406722       1.20899455       0.16612491      -0.91934841 
Hf       2.31647710       6.31037772      -1.10334288       0.63664604       0.63168483       0.62154759 
Hf       2.50548051       5.30385195      -6.40690159       0.87753889      -0.01948639      -0.48613062 
Hf       7.51566279       6.37423712      -1.06293064       0.33372503       0.08743001       0.65043393 
Hf       7.64428799       5.48117070      -6.34435801      -0.11006073      -0.51251500       0.46745314 
Hf       5.04187589       3.49576491      -1.64899213      -1.90545767      -0.28571194       0.17675608 
Hf       4.93650729       2.52745445      -6.69901695      -0.67871048       0.59965390      -0.74170384 
Hf      10.19179558       3.37669886      -1.50988636       0.17330518      -0.43337835       0.23238637 
Hf      10.23059284       2.48338410      -6.78552496      -0.87637365      -0.21266870       0.46132548 
Hf       4.97281773       8.70129506      -1.50570261       0.89212438      -1.14222893      -1.05826643 
Hf       4.94249802       7.70106940      -6.83484600       0.35260017       0.62722431       0.87234099 
Hf      10.18524263       8.67174529      -1.53401776       0.27652231       0.55708242       0.07877254 
Hf      10.16428323       7.75257435      -6.86953584      -0.57305070      -0.59570708       0.11360856 
O       1.23545803       2.25761086      -2.51940588       0.21718590       0.63034525      -0.08383737 
O       1.34589730       1.47355794      -7.93358469       0.47400434      -0.48141786      -0.07210386 
O       6.58973030       2.35255434      -2.74145052      -0.93149432       0.43646296      -0.27734561 
O       6.51858805       1.53308629      -8.05046355       0.15386386      -0.56441833       0.57161910 
O       1.23611760       7.45597135      -2.66246071       0.17867958      -0.12876441       0.37040901 
O       1.42971249       6.48874034      -7.81221200      -1.38816417       0.61682586      -1.40648918 
O       6.42082462       7.52275212      -2.78347995       0.62560907       0.49650583       0.64583962 
O       6.59163754       6.69480601      -7.90493185      -0.47542571      -0.90326355      -0.61529476 
O       4.08911764       1.19908092      -5.27938584      -0.63564123      -0.01207075      -0.38304771 
O       3.91625170       0.67489932     -10.35193609       0.44676761      -1.47629993      -0.46604996 
O       9.05776980       1.33668478      -5.18188539      -0.47645733       0.29480263       0.71295855 
O       9.19847725       0.50461601     -10.40268395      -1.20597607       0.30217489      -0.39166425 
O       3.99152253       6.53268410      -5.16716955      -0.41851174       0.34246547      -0.06248232 
O       4.08296513       5.79711124     -10.36170153       0.22977504      -1.16365349      -0.17472576 
O       9.18025641       6.59175485      -5.14076468      -0.23380489       0.03865691       0.22362680 
O       9.21928132       5.65572137     -10.42565797      -0.28864035       0.77091884       0.24832459 
O       3.99188692       1.75671768      -2.38034097       0.08871279       0.23376658       0.15701124 
O       3.88554776       1.05487011      -7.85278059      -0.28742307      -0.40480976       0.72314349 
O       8.99359591       1.97650412      -2.57803076       0.26921920      -0.83977229       0.16157009 
O       9.10301839       0.93392478      -7.81638913      -0.62740650      -0.00421580       0.24487345 
O       3.82462956       7.08138316      -2.39305560      -0.39659703      -0.07080234      -0.89757902 
O       3.82865622       6.15360710      -7.80402826       1.26140071      -0.18940766       0.32310948 
O       8.87487401       7.12682872      -2.46462517       0.00083631       0.01719671      -0.00981248 
O       9.04854353       6.11654592      -7.76704394       0.47020982      -0.03136336      -0.36052522 
O       1.21851395       0.96794879     -10.43046146       0.87127506       0.68540750      -1.22214855 
O       1.05121846       1.71412411      -5.28260354       1.89690138       0.57466008      -2.14987569 
O       6.43944029       2.87455732      -0.13244902       0.54853389      -0.36135323       0.06817236 
O       6.48878474       1.94488464      -5.41720318      -0.12461177       0.39055428       0.83634320 
O       1.39997193       7.97400831      -0.09459610      -0.97363320      -0.22022172       0.05477452 
O       1.31032800       7.24884152      -5.26488747      -0.14302731      -0.00493594      -0.70318751 
O       6.48502096       8.00069065      -0.09722177       0.24972201      -0.33873360      -0.11683118 
O       6.50282805       7.12797799      -5.37922981      -0.24633023      -0.70439959      -0.50856375 
O       3.48355067       4.65807893      -0.82993999       0.17338891       0.33560929       0.23170074 
O       3.34235550       3.60274663      -6.04649673       0.97215581      -0.17895603      -0.31945424 
O       8.66747665       4.66281632      -0.86230247      -0.18470337      -0.04658203       0.65803140 
O       8.75279313       3.68258002      -6.03899406      -0.71571608       1.22767187      -0.06753287 
O       3.50150541       9.83667231      -0.78782340      -0.08007409       0.38435307      -0.50345734 
O       3.48884868       8.93093567      -6.06123210       0.21315729      -0.75146646      -0.01412710 
O       8.62836997       9.93488479      -0.80498125       1.06358595      -1.61210674      -0.37985673 
O       8.65486865       8.86059139      -6.12621938      -0.22504628       0.44676760       0.31665742 
O       0.91279801       0.03717490      -1.79810778       0.01731243      -0.82521275       0.34469518 
O       0.93895641      -0.94719442      -7.10277452       0.12351950       0.45246107       0.02813640 
O       6.08151905       0.10065017      -1.77705821       0.21104821      -0.19104120      -0.24199181 
O       6.09572570      -0.86825194      -7.11763736      -0.48382263       0.07627267      -0.19702917 
O       0.86120012       5.06831444      -1.67493666      -0.07600697       0.94090869      -1.11665520 
O       0.96868772       4.16305221      -7.04796756      -0.61701438       0.01232224      -0.08154316 
O       6.23309724       5.15976742      -1.90479152      -0.59324687      -0.49248022       0.54150214 
O       6.09998634       4.23551556      -6.97815442       0.29984086       1.14170774      -0.29641742 
O       1.69270644      -0.54312032      -4.39965166       0.39745306       0.54010821      -0.29558699 
O       1.68021918      -1.39324452      -9.64550987       0.31391298       0.05185613      -0.58809648 
O       6.84041466      -0.42288212      -4.54717207       0.15942628       0.03377231       0.78366447 
O       6.84249781      -1.30838197      -9.71392433       0.20854730       0.19277140      -0.18658746 
O       1.37853478       5.84258014      -4.78568120      -0.15629475      -0.16914460       0.40235069 
O       1.66612495       3.82292947      -9.60755519       0.32729913       0.14807188      -0.93709379 
O       7.02347077       4.80479589      -4.45438344      -0.02158742      -0.24339482      -0.00132028 
O       6.91450183       3.83473933      -9.63150576       0.00291593       0.35306601      -0.46129232 
O       4.44541685       4.28660201      -3.43570426      -0.65242431      -1.31961409       0.40909092 
O       4.22389701       3.49632806      -8.62119943       0.24304343      -0.59179173       0.09089055 
O       9.51207495       4.21710362      -3.43763269      -0.19505761      -1.07585169       0.11816594 
O       9.44719608       3.30817504      -8.63405729       0.60758371       0.69602988      -0.28849848 
O       4.38149867       9.36748940      -3.49475272      -0.52134405      -0.50668361       0.69754832 
O       4.35430695       8.44069818      -8.70627391      -0.00214859       0.51254086      -0.03690678 
O       9.63850988       9.26321503      -3.47881535      -0.94473544       0.32211728       0.12014400 
O       9.34661740       8.48675357      -8.72807586       1.37873629      -0.01195504       0.66873384 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013810423877582025 -0.0027798715897976987 -0.0027321991053734394 -0.0027798715897976987 -0.014151878641618487 -0.0009694851178295262 -0.0027321991053734394 -0.0009694851178295262 -0.018144078088896804" pbc="T T T" energy=-946.67480663 free_energy=-946.70736878 config_type=crystal 
Hf       2.79223364       2.07777285      -9.44104878      -0.11478907       0.83430148       0.09328975 
Hf       8.01823232       2.95561070      -4.12256737      -0.27319360       0.15395397      -0.33270017 
Hf       7.97436345       2.20069758      -9.33724619       1.12724211      -0.15953749      -1.06326476 
Hf       2.89852002       8.10631255      -4.07155763       0.12099412       0.53200518      -1.42155457 
Hf       2.81342870       7.30227615      -9.39609598      -0.10382916       0.66616007      -0.07359836 
Hf       8.01136662       8.19922581      -4.15928823       0.29681335       0.36109174      -0.30513773 
Hf       8.00889913       7.27362507      -9.40325360       0.52875590      -0.39696533      -0.74276511 
Hf       0.30215373       0.80238452      -3.68772817      -0.16904083       0.39516906      -0.56759798 
Hf       0.20113814      -0.09520549      -8.95126128       0.35709982       0.22563944      -0.02767910 
Hf       5.30735947       0.82351000      -3.85452166      -1.03697028       0.21453358       1.28642528 
Hf       5.42296137      -0.03750396      -9.02276763      -0.24115943      -0.66316518       0.29291196 
Hf       0.00691661       5.93456165      -3.43574437      -0.07328257      -0.54484984      -0.44232873 
Hf       0.24217201       5.05337340      -9.03478902      -0.70805651      -0.65427513       0.66740009 
Hf       5.42275003       5.98246930      -3.71348159       0.23315219      -1.90706147      -0.72651775 
Hf       5.36988514       5.09236124      -8.98371858       0.45875406      -0.83191879      -0.29210040 
Hf       2.35894442       1.25417318      -1.13611447       0.28049609       0.11062566       0.44384412 
Hf       2.37164125       0.32634564      -6.26482038      -0.17707651       0.15282854      -0.78047336 
Hf       7.50827040       1.22436352      -1.12249910       0.21794783       0.09740449      -0.26910393 
Hf       7.51634657       0.38127969      -6.32834997       1.40914758       0.18759693       0.02710740 
Hf       2.41583513       6.48194583      -1.10970161      -0.24968674      -1.43245605       0.82635455 
Hf       2.51329433       5.29100776      -6.51343559       0.16617211       0.56030754      -1.89451909 
Hf       7.49935324       6.34470495      -1.11423713       0.54573668      -0.05958877       0.20979418 
Hf       7.56994429       5.40127637      -6.29464488       0.93088053       0.44499561      -0.44764334 
Hf       4.89625705       3.38053910      -1.63561543      -0.52239695       0.93480074      -0.48223355 
Hf       4.95273412       2.56716763      -6.72054125      -1.01271563       0.19093400      -0.69277718 
Hf      10.18044710       3.45181999      -1.43735588       0.31407749      -1.20307405       0.05346298 
Hf      10.27020220       2.49466598      -6.73847825      -1.42793110       0.97399845      -0.40440299 
Hf       5.03394218       8.57194340      -1.57043284      -1.02450074       1.55693386       0.45016849 
Hf       5.11151560       7.77614699      -6.76211244      -1.39533183      -0.20802616      -0.71314785 
Hf      10.18980771       8.63092990      -1.53739853      -0.71013617       0.61756572       0.32777891 
Hf      10.13124718       7.69242246      -6.80654157      -0.16571547      -0.32209854      -0.02887862 
O       1.25778875       2.25985457      -2.54986714      -0.48136915       0.33338682      -0.55990788 
O       1.30742620       1.51693925      -8.02216353       0.25531924      -0.86433771       0.46943762 
O       6.38996378       2.34175513      -2.81536466       1.58020940       0.51055532       0.15998827 
O       6.49594614       1.53025197      -7.96933530      -0.23953046      -0.26378178      -0.20042911 
O       1.41879686       7.53739307      -2.71544173      -0.90150514      -0.58640936       0.68377909 
O       1.33482946       6.56262797      -8.01258469      -0.01695453       0.33248837       0.29128708 
O       6.54433354       7.51455624      -2.75118729       0.04408494       0.40647268      -0.08687679 
O       6.57460546       6.57964045      -8.08326843      -0.49591113       0.46663742       0.81628763 
O       3.92935802       1.17961403      -5.32486923       1.31896811       0.83536509       0.55111531 
O       3.92451386       0.53415463     -10.39864249       0.04254965       0.31990772       0.00319928 
O       9.03198192       1.44533765      -5.12325044       0.25422598      -0.26661344       0.22620742 
O       9.15567360       0.60778465     -10.31001104      -0.76963014      -0.16610033      -0.38770209 
O       4.09746510       6.69968728      -5.10094457      -0.63896160      -0.24881609      -0.88673531 
O       3.89105472       5.69869759     -10.42385891       0.39669786       0.01933674      -0.13506837 
O       9.21265709       6.59181960      -5.01355387      -0.20354360       0.27938076      -0.47611268 
O       9.12221612       5.77193155     -10.45285648       0.31371641      -0.41480468       0.95066143 
O       3.99522407       1.68832550      -2.41813446      -0.80446825       0.12038837       0.16322646 
O       3.86085418       1.06923150      -7.79684271       0.03534481      -0.54979951      -0.61315840 
O       9.02107959       1.92624871      -2.50581351      -0.61464145      -0.67395753       0.51198391 
O       8.96467951       1.16335581      -7.74519128       0.00594248      -1.83198295       0.83323149 
O       3.94804445       6.96106793      -2.51158221      -0.69486589       0.46137258       0.35531398 
O       3.90282682       6.09255391      -7.84827951       0.26961261       0.82224212       0.72187891 
O       9.03332673       7.07018615      -2.44659178       0.03025100       0.06891607      -0.45983255 
O       9.08213691       6.08625291      -7.71111783      -0.14744262       0.29134842      -0.36211982 
O       1.27820100       2.79522459      -0.07792127      -0.04318058       0.41046661       0.38278938 
O       1.14240182       1.79909610      -5.33692201       0.40758627      -0.51342166      -0.22054471 
O       6.44597994       2.83502141      -0.11933295       0.01490487      -0.15374135      -0.12323335 
O       6.42857246       1.93129256      -5.36955709       0.06073401       0.33612951      -0.19725368 
O       1.28998941       8.05765376      -0.09552172      -0.56419624      -0.71521689      -0.42246876 
O       1.38391352       7.04536762      -5.24287730      -0.15805640       0.06407903      -1.12617218 
O       6.42781636       7.94770941      -0.19351318       0.09720534       0.19519072       0.54439968 
O       6.57436939       7.07574492      -5.36748533      -0.22814832      -0.08463938      -0.25635642 
O       3.34278285       4.63964570      -0.89168364       0.91760785      -0.21400911       0.18059504 
O       3.58531790       3.86254689      -5.97308756       1.10112894      -1.37007657      -0.09103761 
O       8.78040441       4.75964069      -0.79313124      -1.32559019       0.08630494       0.40600884 
O       8.82955237       3.88907745      -6.01469109       0.02690506      -1.23495437       0.51050845 
O       3.40600665       9.84708847      -0.72128592       1.45212489      -1.37463989      -1.00173987 
O       3.51155615       8.89805124      -6.14619853       0.25362326      -0.56063782       0.31992996 
O       8.62638636       9.83757660      -0.89782700       0.62796034      -0.36375619       0.22499863 
O       8.65751704       8.85413580      -6.04797395      -0.41881951       0.76717108      -0.10258201 
O       0.92999343      -0.06315281      -1.87390909       0.40745762       0.21242054       0.20313059 
O       0.79019357      -0.90186977      -7.07557968       0.67871498       0.45268791       0.19332120 
O       6.00532795       0.06377600      -1.83735981       0.30735950      -0.41108529       0.03489580 
O       6.22511718      -0.86576573      -7.20042093      -0.65887807      -0.36870926       0.16651378 
O       0.84380614       5.17599987      -1.71882354       0.52038143       0.82941885      -0.57885753 
O       0.95053172       4.18704787      -7.14199368       0.62591263       0.52939484       0.22109798 
O       5.99687648       5.22363004      -1.87215255       0.43905690      -0.78084498       0.78242347 
O       6.17608663       4.27251016      -7.14024575      -0.63165309      -0.50757865       0.01865336 
O       1.72789245      -0.54177963      -4.50205914      -0.51496531       0.22719072       0.58884034 
O       1.68853661      -1.25793999      -9.69558821      -0.21622078      -0.29622521       0.32185324 
O       6.77346012      -0.41223691      -4.45776925       1.12672506      -0.76868928      -0.64474571 
O       6.93565699      -1.37081857      -9.77583525      -1.11735930       1.30864373       0.43362730 
O       1.61601869       5.63234572      -4.79419823      -1.20694861       0.19477103       2.17899993 
O       1.70650777       3.87270815      -9.71682197       0.50365959       0.03326007      -0.30138950 
O       6.92668933       4.69317977      -4.43033342      -0.33526907       0.31390768      -0.00284943 
O       6.86467413       3.87538764      -9.81099667      -0.13216190      -0.39503880       1.11111483 
O       4.26740190       4.21255109      -3.46082460       0.65250118       0.75801122       0.66817090 
O       4.25349397       3.38049816      -8.66509177       0.06260733      -0.00330058       0.01192801 
O       9.47570913       4.13589961      -3.32540254       0.78847572       1.47951874      -0.54273655 
O       9.62728628       3.20331936      -8.72704785      -0.42989688       1.64575232      -0.37140787 
O       4.28713983       9.32335393      -3.45135002       0.63136773       0.24263380       0.58519818 
O       4.31880176       8.47854815      -8.66493563       0.58434994       0.35623135       0.03934850 
O       9.50126406       9.39869468      -3.47614033      -0.08446932      -0.48768602       0.40040943 
O       9.50514702       8.45006586      -8.67791855      -0.43662470      -0.25815429      -0.02516205 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01733378457122472 0.0018779443108448584 0.0019781388636275874 0.0018779443108448584 -0.015407799533158687 -0.0024536387555306413 0.0019781388636275874 -0.0024536387555306413 -0.009085897660103967" pbc="T T T" energy=-946.77516449 free_energy=-946.81112146 config_type=crystal 
Hf       2.89396938       2.19053544      -9.41301043      -0.42524956      -1.85226655      -0.23571465 
Hf       7.99845169       2.99127134      -4.15690365      -0.59828880      -1.07240312      -0.27468747 
Hf       8.03217505       2.15846592      -9.39259729      -0.25024118      -0.90035772       0.11096079 
Hf       2.78863070       8.14508565      -4.15704866       1.09032164      -0.41272529       0.20322163 
Hf       2.77032207       7.26196879      -9.44796698       0.82006984       0.07745563       0.35262641 
Hf       8.00815082       8.24100097      -4.12436559      -0.67568025      -0.15986288      -0.61922821 
Hf       8.02634350       7.30744727      -9.46747371       0.27545581      -1.05728776       0.51845488 
Hf       0.28918570       0.84509414      -3.69192714      -1.36796889      -0.29699399      -0.77806354 
Hf       0.34157461      -0.08561380      -8.99288811      -1.17166071       0.59181119       0.99911058 
Hf       5.29384491       0.88562458      -3.68435212       0.76086137      -0.20894783      -0.68571407 
Hf       5.42920853      -0.09416471      -8.97779531      -0.70078570       0.15675201      -0.49990430 
Hf      10.24957685       5.96077942      -3.45678009       0.23197367      -0.84437928       0.13742145 
Hf       0.27087852       4.93711722      -8.96006948      -0.76540933       1.67202447      -0.13784935 
Hf       5.44488250       5.89022668      -3.74984259      -0.45700051       1.31435211       0.21972748 
Hf       5.42183153       5.02832293      -8.91244996      -0.03233550       0.44984073      -0.29004959 
Hf       2.34900828       1.27584175      -1.19860713       0.98665478       0.29865321       0.24317078 
Hf       2.38479256       0.36323265      -6.22808891       0.08882881       0.29725221      -1.34315107 
Hf       7.52752622       1.27468989      -1.08752490      -0.01464951       0.21215609      -0.16676924 
Hf       7.55022704       0.30735525      -6.42910256       0.98906089       1.48877198       1.91291353 
Hf       2.36954865       6.43723114      -1.13456059       0.13266286      -0.74667951       0.06551870 
Hf       2.63501383       5.25812139      -6.47020804      -1.18053068       1.58018464       0.44182799 
Hf       7.48119745       6.35820482      -0.96221124       0.44141604       0.57449767      -0.99754238 
Hf       7.58341717       5.44838185      -6.35892557       0.28454400       0.34705381       0.17374241 
Hf       4.91255246       3.56115413      -1.61660622       0.19680829      -1.49229871      -0.08170489 
Hf       4.94306783       2.50553700      -6.72850311       0.88401085      -1.47806918      -0.24952526 
Hf      10.19186426       3.38772771      -1.46326639       0.67179279       0.20907570      -0.69200123 
Hf      10.20398693       2.53942198      -6.72215425      -0.34784256      -0.16555859      -0.09301595 
Hf       4.90773532       8.59221773      -1.57364465       0.61052850       0.12719311       0.68390223 
Hf       5.03670922       7.70563203      -6.79714785      -0.51632867       0.22188488       0.09357701 
Hf      10.22106941       8.62716756      -1.52031880      -0.71876677       0.59923780       0.07945140 
Hf      10.11882080       7.69541769      -6.87563206      -0.08886854      -0.06035531      -0.12000737 
O       1.21334686       2.32513132      -2.64568634       0.22356843       0.17442302       0.51499718 
O       1.32540764       1.49934871      -7.97446861       0.22119701       0.09228908      -0.13588488 
O       6.52965621       2.41897699      -2.79701279      -0.16102966      -0.51568747       0.89574490 
O       6.46739767       1.42904896      -8.02185303       0.82856173       0.44579735       0.31315658 
O       1.25548355       7.59122240      -2.72847190       0.22031772      -0.80279883       0.01792889 
O       1.33802343       6.60586005      -8.09145783       0.22527977      -0.07089425       0.64356433 
O       6.47466277       7.54753026      -2.76106299       0.23172504      -0.02174430       0.35171088 
O       6.59349543       6.57608067      -7.97601692      -0.07356859      -0.10193584       0.00530384 
O       4.00279475       1.24883311      -5.22944149       0.12134633      -0.28745531      -0.22157042 
O       4.06468974       0.51602457     -10.47712333      -0.86129349       0.08017869       0.35612721 
O       9.01881139       1.45045265      -5.07354329       0.87253290      -0.24139521      -0.29321342 
O       9.23826408       0.63233355     -10.36489067      -0.32504123      -0.41641028       0.35751998 
O       3.91088158       6.57737112      -5.25107427       0.66148978      -0.64367748       0.64229846 
O       3.96408602       5.57309561     -10.33420155      -0.77227139       0.61953100      -0.63981889 
O       9.17899056       6.56441554      -5.14876591      -0.43220927       0.28723098       0.24291882 
O       9.27575975       5.76869310     -10.36935331      -1.25373095      -0.15359337      -0.07948165 
O       3.87095324       1.83017275      -2.54481961       0.12610187      -0.12945129       0.89469032 
O       3.78433278       0.79962824      -7.79001292       0.69880733       1.08994679      -0.47080206 
O       9.07490599       1.80731258      -2.41896947      -0.64157724       0.22704639      -0.12320741 
O       9.07125100       0.96380691      -7.70477369      -0.19739725       0.61553852      -0.44447373 
O       3.85772868       7.00293339      -2.50481879      -0.61339571       0.23904203      -0.35782674 
O       3.98266699       6.14479898      -7.81868729      -1.07194900      -0.77437456       0.53747498 
O       8.96238803       7.10091740      -2.38821473      -0.34761227      -0.34189638      -0.25014375 
O       9.08941469       6.03952462      -7.80854771      -0.34564619       0.88481839       0.54138622 
O       1.40804966       2.83113285      -0.12012953      -0.62387711       0.02267088       0.23300731 
O       1.11334899       1.75554732      -5.33438654       0.16073969       0.49722171      -0.84142241 
O       6.51188538       2.94806521      -0.11185885       0.28830121      -0.83612563      -0.37400220 
O       6.48269717       1.95771772      -5.38373981      -0.55471389      -0.39362645      -0.09890272 
O       1.27201701       7.97376856      -0.20096545       1.04597668      -0.61190194       0.99653013 
O       1.31610968       7.05705076      -5.28680051      -0.13972015      -0.08517421      -0.92318367 
O       6.40767051       7.96706073      -0.06447800       0.28298231       0.20781607      -0.33498780 
O       6.48126580       7.06839572      -5.41812135       0.13183043      -0.29797799       0.40142873 
O       3.50422570       4.68733092      -0.79119839      -0.65808358       0.56795330       0.09602904 
O       3.40023339       3.57562557      -6.22161845      -0.17858186       0.28680209       0.10267676 
O       8.69048014       4.71892900      -0.78537624      -0.10942165       0.02753398      -0.10923520 
O       8.74293337       3.83554375      -6.04473379      -0.02703123      -0.64470636       0.11029091 
O       3.27814638       9.67949862      -0.81221290       1.41535875       0.15935333      -1.05503465 
O       3.45953995       8.84118793      -6.06364576       0.17076471       0.24433810       0.03811012 
O       8.68256004       9.88044394      -0.81457144      -0.05605012      -0.34446737      -0.09782759 
O       8.62537227       8.88044814      -6.09511738       0.50972657      -0.44363069       0.07028791 
O       0.93941369       0.00055092      -1.91588025       0.21834589      -0.22723968       0.59105761 
O       0.89583690      -0.90591251      -7.10956703       0.08094651      -0.38279340       0.01242166 
O       6.00072224       0.04723301      -1.76423521       0.32246275       0.42734885       0.25268704 
O       6.12666602      -0.86033881      -7.04522606      -1.18513560      -0.87426431      -0.37238323 
O       0.92383344       5.15776687      -1.85001260      -0.43404600      -0.07367870       0.00282726 
O       0.88896590       4.31438143      -7.03546356       0.30037972      -0.39244736       0.05811095 
O       6.03816512       5.20826651      -1.75023488       0.82087654       0.98952141       0.08743704 
O       6.10026137       4.15355836      -6.94264144       0.02956776       1.47313835      -0.51809225 
O       1.67651566      -0.52172911      -4.53236005      -0.39277159       0.07766014       1.08737343 
O       1.63455757      -1.32935037      -9.77569213       0.65224805      -0.45816161      -0.09406207 
O       7.00727802      -0.35155371      -4.36597355      -0.92807949       0.35388367      -0.23898484 
O       7.03492462      -1.21476237      -9.60554811      -0.69379929       0.29584884      -0.67883457 
O       1.51016735       5.71724840      -4.62995648       0.72172178      -0.22363575      -1.08085997 
O       1.70155367       3.78440685      -9.73067276       0.57441014       0.38266422      -0.13254095 
O       6.96733274       4.76146749      -4.30255590       0.58934085       0.17534672      -1.17896646 
O       6.94650435       3.91519114      -9.58012882       0.84567371      -0.71725771      -0.29968215 
O       4.38308371       4.31172988      -3.42367867      -0.54135746      -0.60167599      -0.14553206 
O       4.44442510       3.22592744      -8.74666704      -0.12838200       0.25116467       0.60018662 
O       9.49448346       4.05958786      -3.42161562       1.29562557       1.84442338       0.75336216 
O       9.56001286       3.30459784      -8.75640948      -0.22797928      -0.61357523       0.89506720 
O       4.27893316       9.37127690      -3.41856447      -0.11470016      -0.19273253      -0.06448165 
O       4.40884863       8.40370162      -8.71166092      -0.56364315       0.05126391      -0.41221196 
O       9.58366294       9.27916802      -3.45915311      -0.09868883       0.48297663      -0.02859563 
O       9.43311120       8.51612889      -8.68863377       0.84100107      -0.11204033       0.48715288 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018130323937379476 -0.0005123114451577448 0.002207223557059659 -0.0005123114451577448 -0.018891650100902532 -0.0005422084923235451 0.002207223557059659 -0.0005422084923235451 -0.012384258503343156" pbc="T T T" energy=-946.93318757 free_energy=-946.96991642 config_type=crystal 
Hf       2.83570903       2.09489405      -9.42744065       0.36672075       0.71367860       0.34347735 
Hf       7.99908103       2.95443486      -4.13561771      -0.57993881       0.63282216      -0.43410625 
Hf       8.05683538       2.18605880      -9.43790186       0.60177392      -1.20282966       1.28151113 
Hf       2.83183365       8.15478850      -4.25400225      -0.49376677      -0.40601846       1.85967722 
Hf       2.83491666       7.24128699      -9.35563765      -1.22299601       0.30124886      -1.75122238 
Hf       7.99693897       8.21510721      -4.07653805      -1.27530933      -0.25466012      -1.34212365 
Hf       8.02807754       7.28032519      -9.44332310      -0.33438589      -0.09441308       0.25047446 
Hf       0.26915155       0.83662663      -3.71864966       0.21535682      -0.11544204      -0.02094716 
Hf       0.30720268      -0.11374801      -8.94743360      -0.17181867      -0.15586258      -0.11520650 
Hf       5.25034657       0.87096307      -3.72222332       0.64493691      -0.20795294      -0.02576980 
Hf       5.44024375      -0.04103362      -8.96835665      -0.35293561       0.22479187      -0.90024329 
Hf      10.31467235       5.94718045      -3.46892380       0.46405562       0.66588846      -0.59261819 
Hf       0.24924770       4.95453117      -8.97119958       0.09950301       1.39444145       0.31749409 
Hf       5.40736792       5.94523139      -3.72572968       0.76098251      -0.61876773       0.05377393 
Hf       5.43993371       5.02991704      -8.90857566      -0.23570006       0.34857975      -1.16328381 
Hf       2.38638695       1.34057819      -1.20493152       0.33134442      -0.79900722       1.03354577 
Hf       2.42066433       0.37852431      -6.30964570      -0.58126760       0.55957743      -0.39552294 
Hf       7.51438675       1.27356048      -1.08805371      -0.05778478      -0.40833395      -0.11168103 
Hf       7.57535960       0.28006757      -6.34881162      -0.38104380       0.89477036       0.21238618 
Hf       2.39822752       6.38704348      -1.14216186      -0.64657900       0.72091523       0.62950321 
Hf       2.64859592       5.29168371      -6.47296718      -1.87856183      -0.86187355       0.23951894 
Hf       7.47187704       6.38008486      -1.03863796       1.60238526       0.56754011       0.32531041 
Hf       7.52501166       5.43846031      -6.39820616       1.17835235       1.16004562       0.94375388 
Hf       4.91667398       3.55502285      -1.61685351       0.04166487      -1.56199618      -0.08011352 
Hf       4.96086827       2.50196804      -6.70237031       0.60936749       0.03654463      -0.34935562 
Hf      10.21891644       3.39590059      -1.48678035      -0.38511915       0.46000849       0.12822753 
Hf      10.20718205       2.48355567      -6.69142051      -0.00570274       0.97764986      -0.65947185 
Hf       4.95379747       8.60787042      -1.52305515      -0.03456734      -0.10747665      -0.20923963 
Hf       4.93120616       7.77093968      -6.81810261       1.49874999      -0.42501573       0.17014154 
Hf      10.21376960       8.61308453      -1.50870284       0.32975119       0.03861764       0.04450712 
Hf      10.09874696       7.72852125      -6.83146523      -0.01166980      -0.40606012      -0.28964202 
O       1.18468699       2.33344759      -2.61037445       0.02292289       0.00124342      -0.30597190 
O       1.40024520       1.42670902      -7.99361349       0.10177771      -0.07326833      -0.04368017 
O       6.48973462       2.35810735      -2.68452443       0.14566346       0.35509088      -0.51566232 
O       6.64426179       1.39337171      -7.93353156      -0.34108425       0.81387032      -0.55622960 
O       1.25677777       7.50971902      -2.79938267       0.35172077       0.39837746      -0.03504130 
O       1.36823104       6.47410198      -8.00829499       0.28061809       0.83406826      -0.51582774 
O       6.55654359       7.56310214      -2.63049693      -0.53301492      -0.29531273      -0.58979370 
O       6.52778544       6.63879532      -7.98594859      -0.19284826       0.44561083       0.13240210 
O       3.98694249       1.14871953      -5.28723030       0.73204674       0.16129146       0.11668937 
O       3.87760791       0.48551296     -10.41017958       0.49083908       0.97689044       0.31517932 
O       9.12424358       1.39833583      -5.07863345      -0.58127714       0.15383026       0.09208141 
O       9.24242945       0.58977709     -10.31125368      -0.38009578      -0.22048795      -0.66154974 
O       4.01428725       6.49291208      -5.09821274      -0.91412063       0.85955566      -1.54486907 
O       3.87208879       5.70873112     -10.38410359       0.72807950      -0.03387067       0.10901159 
O       9.09615581       6.63338454      -5.04915411       0.74175299       0.05673965      -0.49365471 
O       9.12332581       5.70952445     -10.37979803       0.27399962      -0.30822071      -0.20862877 
O       3.90759087       1.83243958      -2.44643259       0.41347618       0.10273260      -0.23323202 
O       3.94380167       1.06219725      -7.82104173      -0.82436732      -0.78420530      -0.05774245 
O       8.94924171       1.95349094      -2.49798774       0.47160838      -0.59633226       0.37281239 
O       9.08423035       1.03482230      -7.69124389       0.36497148      -0.81398918      -0.11562337 
O       3.81510779       7.00895495      -2.53360415       0.59402501       0.35750582      -0.21256238 
O       3.89157880       6.10916645      -7.78666680       1.07364405       1.03192731      -0.57222544 
O       8.96999404       7.06851972      -2.50064785      -0.39895995       0.29203987       1.21702142 
O       9.03076906       6.25092673      -7.82856949       0.02365731      -1.12141313       0.82922118 
O       1.35011150       2.89391882      -0.11249550      -0.29069906       0.02144851       0.28380907 
O       1.21874732       1.75855292      -5.42228830      -0.45313967      -0.04161910       0.58130336 
O       6.45419898       2.83171978      -0.07301141       0.02838682       0.47241349      -0.18727536 
O       6.45571814       1.93138077      -5.31789453       0.25557530       0.23833691       0.09077292 
O       1.30470436       7.88244277      -0.11197131      -0.71493414       1.14654039      -0.73418972 
O       1.38840203       6.93839206      -5.57447244       0.51940640       0.46457956       1.00367910 
O       6.40320196       7.95403680      -0.03288962       0.02108914      -0.14772993      -0.43265124 
O       6.45236790       7.05508574      -5.31125690      -0.30172904       0.42610317      -0.76310112 
O       3.52740800       4.75239563      -0.77823626      -0.15511341      -0.48294861       0.27254817 
O       3.52155910       3.62763879      -6.05704258      -0.02342337       0.43416738       0.08948031 
O       8.59994046       4.63050025      -0.83773216       0.02145485       0.33479920       0.19239929 
O       8.73118651       3.76717197      -6.03452806      -0.06139159      -0.04374995       0.08547289 
O       3.51158971       9.82401424      -0.94275596      -0.70420840       0.18768099       0.93478199 
O       3.29938851       8.79271992      -6.16056868       1.29325857      -0.53814519       0.10939879 
O       8.70468555       9.78961639      -0.82698239      -0.46944665       0.80559711       0.03577392 
O       8.54139676       8.80465515      -6.14140270       0.35823501       0.48596544       0.34478656 
O       0.94515246       0.00707480      -1.79003367      -0.60928329      -0.57629187      -0.59283344 
O       0.99069000      -0.97945009      -7.11037211      -0.82328249       0.00887657      -0.06019149 
O       6.09289465      -0.00280225      -1.84478709       0.26095167       0.23963320       0.19148349 
O       5.98982552      -0.80714058      -7.11941627      -0.00197708      -0.83919295       0.74163588 
O       0.74616096       5.29264967      -1.68721594       0.31087527      -0.91445735       0.04266757 
O       1.01909271       4.18173604      -7.07143531      -0.03648337       0.01120624       0.28388859 
O       6.11669352       5.18617069      -1.82570290      -0.19282023       0.07322218       0.16656186 
O       6.05143218       4.36379894      -7.09997989      -0.32411181      -1.33479133       0.87106069 
O       1.64351525      -0.48766071      -4.44082319       0.41586458      -0.29799142      -0.27216753 
O       1.72808176      -1.31239679      -9.78468914      -0.19526832      -0.12652070       0.43474636 
O       6.75551587      -0.44142143      -4.49802807       0.61106211      -0.09492801       0.17549384 
O       6.91453819      -1.25973531      -9.70646030       0.31385827      -0.53350039      -0.04273560 
O       1.53459337       5.67789960      -4.76138327      -0.49640287      -0.05807557       0.29834048 
O       1.77301376       3.93715754      -9.66595745       1.13406720      -1.94078683      -0.19079834 
O       6.93176457       4.74238100      -4.56570802      -0.32048879      -0.54195302       1.41617206 
O       7.06801282       3.90697397      -9.52991659      -0.77240824       0.47057749      -0.80506001 
O       4.35256315       4.24338415      -3.40703745       0.25326197       0.58663333      -0.06870718 
O       4.40399490       3.30412424      -8.64682348      -0.59468067      -0.04916085      -0.53052398 
O       9.55281114       4.19077949      -3.38690730      -0.65697103      -1.20393242      -0.31311098 
O       9.63371850       3.29730879      -8.58704176      -1.22878468      -0.76809415      -0.96327951 
O       4.24358818       9.36501070      -3.44347238       0.00970194      -0.51590303      -0.25094608 
O       4.32115090       8.49952520      -8.80744925      -0.02708180      -0.71315479       1.08681979 
O       9.46888593       9.38865338      -3.47511589       0.56835489       0.33461546       0.62180232 
O       9.49260198       8.49716705      -8.68461614       0.30894039       0.44198798      -0.02157201 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013110778953640816 0.002353463295524328 0.0008991875248314696 0.002353463295524328 -0.0151927113490433 -0.003660681015974041 0.0008991875248314696 -0.003660681015974041 -0.020612663891893437" pbc="T T T" energy=-946.56280216 free_energy=-946.60003137 config_type=crystal 
Hf       2.85146684       2.03881775      -9.37505586      -0.62263362       1.33829950      -0.71377054 
Hf       7.95798970       2.97266973      -4.10253141       0.72921003      -0.03322656      -1.16427805 
Hf       7.93061252       2.09749369      -9.39156719       2.32190187       0.44169524       0.28910486 
Hf       2.89698891       8.14661451      -4.16843970      -0.40842598      -0.24398016       0.43991249 
Hf       2.82030302       7.30652829      -9.53346800      -0.71867824       0.30472530       0.64406575 
Hf       7.97641782       8.22063703      -4.21281192      -0.63650339       1.34784026       0.65223541 
Hf       7.97393870       7.29164970      -9.41831669       0.59304839      -0.57138633      -0.26716874 
Hf       0.20474637       0.81550810      -3.68510764       0.67227352      -0.24606373       0.18340928 
Hf       0.24517636      -0.08094929      -8.93062059      -0.33434819      -0.64031586      -0.46878657 
Hf       5.22543708       0.86578298      -3.75863389       1.67436376       0.09762469       0.39821255 
Hf       5.44132871      -0.10015505      -9.02851009      -0.20328881      -0.66830196       0.96036349 
Hf      10.17258819       6.00590309      -3.46672824       2.39104756      -1.81044556       1.39334624 
Hf       0.22522326       5.05774708      -9.01465037       0.14682852      -0.55121787       0.69841115 
Hf       5.45732935       6.03497327      -3.71835396      -0.32500228      -1.47409104      -0.25864225 
Hf       5.38044189       5.02826588      -8.92482385       0.33779135      -0.10073346      -0.18389695 
Hf       2.41124521       1.33335797      -1.13113992      -0.48576033      -0.39241390      -0.71039195 
Hf       2.37414022       0.34263547      -6.27680543      -0.15822379      -0.29141132       0.33300214 
Hf       7.58424019       1.26522120      -1.05225554       0.56792060      -0.16627175      -1.14657709 
Hf       7.60535410       0.35067179      -6.37332587       0.20102657      -0.05197949       0.72316387 
Hf       2.33549352       6.42265178      -1.11643931       0.17324352      -0.72992563      -0.03839611 
Hf       2.68217008       5.32024627      -6.41628523      -1.99646361      -0.92183590      -0.03670305 
Hf       7.52236972       6.31560509      -0.99038872       0.75259830       0.71428928       0.07560047 
Hf       7.60492186       5.41229127      -6.39764680      -0.83488366      -0.54715556       0.74731345 
Hf       4.98930464       3.50977513      -1.63013098      -0.97108221      -0.05869323      -0.05336333 
Hf       4.95569370       2.44436393      -6.74699548       0.26180929       0.55857860       0.05051380 
Hf      10.19791619       3.38473084      -1.45503288       0.32049573       0.24153399      -0.89674880 
Hf      10.21822205       2.55369214      -6.72399238      -0.02029025       0.46556485      -0.51277994 
Hf       5.03327803       8.57286404      -1.57363289      -0.70501467       1.36710121       0.13152414 
Hf       5.03886219       7.72214690      -6.74699811       0.07910724       0.40762264      -1.18891849 
Hf      10.22036526       8.63531146      -1.51949650      -0.75610634       0.65629948      -0.12106456 
Hf      10.15716255       7.66952964      -6.87547140      -0.24005876       0.54277956       0.30719170 
O       1.21261985       2.36879191      -2.59670069       0.20046856      -0.59435362       0.02092664 
O       1.35312053       1.47158341      -7.99176717      -0.20814161      -0.34707290       0.51113919 
O       6.56749756       2.46304126      -2.77813977      -0.79955390      -0.32612177       1.09666812 
O       6.54902975       1.48044675      -7.99986732      -0.72674185      -0.68506785       0.40216933 
O       1.25122457       7.54204128      -2.76780457       0.19364299      -0.41742686       0.22682214 
O       1.34387774       6.58901279      -8.05010821      -0.00881444       0.22332750      -0.30301610 
O       6.48944546       7.57670279      -2.72467762       0.30234149      -0.11544995      -0.22912931 
O       6.55906667       6.58637342      -8.00925653      -0.42929865      -0.25829219      -0.00433915 
O       4.05143640       1.15914323      -5.31514695      -0.33115354       0.44657023      -0.16078337 
O       3.93737891       0.43622049     -10.39008545       0.02108129       1.06842761       0.22757540 
O       9.05055374       1.37370895      -5.08149969       0.06798993       0.25978421      -0.17534179 
O       9.15282759       0.51620222     -10.43708513       0.18423425       0.07230920       0.87135850 
O       3.93738598       6.49545244      -5.17670839       0.78658025       0.62846974      -0.01230540 
O       3.82701133       7.53587046      -0.02793208       1.47234024      -0.60025026       1.03300592 
O       9.15354525       6.71787637      -4.97407020      -0.29988773      -0.57188118      -2.50494050 
O       9.16482464       5.72230652     -10.44092761      -0.08145912       0.06320076       1.03948310 
O       3.97821578       1.86970191      -2.45715149      -0.35040239      -0.35563807       0.18798389 
O       3.81052235       0.95514706      -7.79539143       0.85486580      -0.06425857      -0.57264516 
O       9.07140218       1.77036422      -2.54604408      -0.85851104       0.72003272       0.64706137 
O       9.12603549       0.95486568      -7.77673042      -0.41841791       0.58799906       0.24647829 
O       3.86380742       6.98261915      -2.60723540      -0.44346165       0.52396642       0.91262948 
O       3.90357596       6.06664844      -7.77184386       1.08602921       1.21085177      -1.07988890 
O       8.91106829       7.03560332      -2.38031797      -0.26988820       0.65923340      -0.19425929 
O       9.07282534       6.08795897      -7.73897273       0.01596549       0.23628743      -0.03723392 
O       1.27863957       2.85212615      -0.05813848       0.31627315      -0.03288559       0.46393711 
O       1.12546990       1.67249757      -5.33816833       0.05287047       0.54603943      -0.89454147 
O       6.48772513       2.86386260      -0.01861428      -0.74898853      -0.27128810      -1.16791658 
O       6.52956852       1.94749906      -5.43071891      -0.63168641       0.17655878       0.64575826 
O       1.28283455       8.03169920      -0.18363980       0.07315194      -0.93357334       0.54715221 
O       1.35920862       7.16603565      -5.45287787       0.43354444       0.59457257      -0.21042277 
O       6.45250390       7.94935429      -0.11340306      -0.52362305      -0.01914232       0.31117469 
O       6.53230896       7.04989456      -5.45486070      -0.56467631       0.23520943       0.36176877 
O       3.50594820       4.73789826      -0.71620731       0.35980027      -0.72466019      -0.41661657 
O       3.58287026       3.67547631      -6.07549861      -0.14170423       0.15442401       0.35238514 
O       8.62039999       4.61492229      -0.76489642      -0.00898237       0.17624553      -0.21806353 
O       8.71200624       3.72363842      -5.98543835       0.07574763       0.58226964      -0.36721145 
O       3.45290252       9.82174925      -0.87719755       0.50098077       0.09389150      -0.33880213 
O       3.64375790       8.95638608      -5.97702875      -0.14926662      -0.78151500      -0.50054870 
O       8.70691717       9.84922551      -0.76114960      -0.19562112      -0.05430012      -0.10119669 
O       8.72183473       8.92115038      -6.03606388       0.31659136       0.02908833       0.03198346 
O       0.88630474       0.05816897      -1.73273198      -0.04922321      -0.28583343      -1.05863220 
O       0.95282081      -1.00278641      -7.12818646       0.40702657       0.68368483      -0.22981210 
O       6.12068557       0.13973212      -1.81966496      -0.69219230      -1.21524624       0.10448911 
O       6.31261417      -0.98933613      -7.13174689      -1.57106352       0.16642248      -0.85717916 
O       0.79816147       5.23456076      -1.70636701      -0.26807125      -0.49400168      -0.33965544 
O       0.99624985       4.26547681      -7.04730938      -0.42815744      -0.68119939       0.05692184 
O       6.11637713       5.19412794      -1.77016867      -0.04782146       0.47202460      -0.04715503 
O       6.14328883       4.18998905      -7.09390068      -0.01010702       0.72956690       0.01802651 
O       1.71732780      -0.59454363      -4.44885436      -0.64929985       1.35191750       0.04621629 
O       1.58906398      -1.36229161      -9.82298141       0.25483531       0.38484290       0.71799310 
O       6.74833763      -0.47116623      -4.55718543       0.48160831       0.42742213       0.09898066 
O       6.98222587      -1.25262337      -9.69461648      -1.00174132      -0.00201581      -0.06460438 
O       1.32456987       5.82878761      -4.86327464       0.21839355      -0.62862217       0.22224213 
O       1.63907880       3.79712195      -9.64391714       0.60486534       0.23018805      -0.76053583 
O       6.97323900       4.88322944      -4.40239714       0.90705495      -1.16949323      -0.38016380 
O       6.97015526       3.86682605      -9.56416656      -0.74543035       0.28954079      -0.49272360 
O       4.50273221       4.29991070      -3.40190214      -0.36573513       0.10617934      -0.03205802 
O       4.18628986       3.41383636      -8.62207875       0.43865227      -0.68531728      -0.08987399 
O       9.49831945       4.13045982      -3.40627931       0.24407239       0.46687797       0.36782172 
O       9.46516755       3.38492311      -8.66072762       0.02220547      -0.62190063       0.42612752 
O       4.39208783       9.34758895      -3.44054692      -0.63995355      -0.47069592       0.34771597 
O       4.30401824       8.46945021      -8.75922301       0.52492202      -0.15367493       0.84860286 
O       9.48362591       9.32524544      -3.40320642       0.01350400       0.12520572       0.01996413 
O       9.29608046       8.55200638      -8.59228135       1.37501882      -0.14955230       0.13792925 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016696052203435074 -0.007290852674012506 0.0016497251836568557 -0.007290852674012506 -0.01821523463838076 0.0013639633056865038 0.0016497251836568557 0.0013639633056865038 -0.018287520045929758" pbc="T T T" energy=-946.10671995 free_energy=-946.13943875 config_type=crystal 
Hf       2.78441432       2.11807108      -9.36567222       0.04649824       0.13484502      -0.51065161 
Hf       8.06754528       2.91963278      -4.09132592       0.18757495       0.72766445      -0.34027607 
Hf       7.97094816       2.10322345      -9.34246004       0.19954428       0.01007939      -1.34721244 
Hf       2.88578235       8.18475450      -4.10630543       0.30153306      -0.85644452      -0.22731641 
Hf       2.75018858       7.36400182      -9.38265439      -0.05114303      -0.45194308      -0.75114617 
Hf       7.97539303       8.19665748      -4.21067925       0.30011831      -0.14070662      -0.12007760 
Hf       8.04683337       7.25250870      -9.33148830      -0.54275848       0.55952414      -1.37652347 
Hf       0.27258949       0.79133601      -3.72816876       0.89551206       0.23650276       0.32884932 
Hf       0.20815657      -0.07329531      -8.95748602       0.01008130      -0.00411632       0.29097251 
Hf       5.30072786       0.81729723      -3.80025160      -0.14855593       1.31891662       0.12882204 
Hf       5.43029453      -0.05001723      -9.02290183      -0.44624875      -0.19083987      -0.69723565 
Hf       0.08976654       5.98256513      -3.50627606      -1.53138091      -1.16782163       0.43238513 
Hf       0.19373141       5.04179259      -8.93070628       0.54759717      -0.34699348      -0.06010048 
Hf       5.40491415       5.90225321      -3.70421944       0.72436095       0.34253486      -0.88065769 
Hf       5.39646757       5.07440949      -8.97712474       0.52061990      -0.03638978       0.10860023 
Hf       2.44717340       1.23133748      -1.15478755      -0.89574124       0.82676367       0.27456811 
Hf       2.40324541       0.27235576      -6.28964313      -0.13924519       1.15839457      -0.21852085 
Hf       7.49088973       1.21631813      -1.22847331       1.77189785       0.81808101       3.01265445 
Hf       7.50193440       0.29240180      -6.30832735       0.84322911       1.51379676      -0.71602844 
Hf       2.40875954       6.50274661      -1.09006331      -0.16945932      -1.56715778       0.82938220 
Hf       2.59709143       5.34095896      -6.50290361       0.02466106      -0.92800701      -1.17216944 
Hf       7.51087993       6.39372465      -1.10946073       1.19390500      -0.24104182       1.85710996 
Hf       7.55544016       5.40907594      -6.34569767       0.91141651      -0.01047186       0.98532436 
Hf       4.87131577       3.43238914      -1.66376782       0.48558680       0.08148710       1.44894188 
Hf       4.99032777       2.60907941      -6.73723477      -0.53759515      -0.60633297      -0.20081862 
Hf      10.22480295       3.40347667      -1.41907961      -0.78816216       0.14990964      -0.74421404 
Hf      10.17914363       2.50610868      -6.75432542       0.38590586      -0.79928923       0.70659450 
Hf       5.01362832       8.60227550      -1.53430337      -0.41114274       0.19747697       0.61434435 
Hf       5.07380558       7.73289758      -6.84294699      -1.23514093       0.33278366       0.81012211 
Hf      10.14030367       8.63363912      -1.55127578       0.10787104       0.31159631       0.87151360 
Hf      10.10954809       7.72848120      -6.82805811       0.70707827      -0.27893123      -0.23277026 
O       1.12304594       2.30094853      -2.58367954       1.19187600      -0.56408609       0.26885174 
O       1.38258159       1.38350387      -7.94516505      -0.72216549       0.26497157      -0.14533746 
O       6.58573325       2.38955405      -2.71149109      -1.03760258      -0.42539308      -0.84172394 
O       6.53770723       1.46892715      -7.96101768      -0.07870390       0.20817986      -0.24751578 
O       1.26272943       7.56167097      -2.77838801       0.10085122      -0.50833499       0.68337430 
O       1.32224899       6.68644834      -8.01826162      -0.96256216      -1.29487176      -0.28999483 
O       6.49900099       7.49187117      -2.76779911      -0.03209904       0.83362807       0.35510461 
O       6.53196088       6.64893638      -7.96016881      -0.72530487       0.01548315      -0.00267950 
O       4.17113125       1.23333850      -5.44630934      -0.18842471      -0.38205172       1.25426748 
O       3.87571282       0.57234753     -10.43016577       0.08356897      -0.35398940       0.06715610 
O       9.18571215       1.38109234      -4.99871465      -1.15760646       0.04005516      -1.05843789 
O       9.07423509       0.58888677     -10.36616386       0.66036746      -0.62724533       0.48093408 
O       3.94759216       6.55162540      -5.10716638       0.99143819       0.23953826      -0.62293054 
O       3.97180975       5.64588125     -10.38664546      -0.25287762       0.73817942      -0.48273086 
O       9.27540554       6.70166323      -5.21421081      -0.36144069      -0.69056954       1.66759060 
O       9.11147557       5.60875455     -10.30267932       0.16716019       0.10689469      -0.63952461 
O       3.89153901       1.78488481      -2.52382117       0.53160030      -0.15231559       0.17873108 
O       3.80098603       1.00721037      -7.84954095       1.04963042       0.25076459      -0.25631567 
O       9.08192484       1.84834595      -2.43900763      -0.70233403      -0.12651460      -0.22703312 
O       9.14059572       0.86043360      -7.72368713      -1.02487088       0.87374469       0.51198432 
O       3.82201515       7.09843049      -2.51449970       0.43306573      -0.18864210       0.40818631 
O       3.80507388       6.28314543      -7.81022697       1.36085347      -0.30203615      -0.00331362 
O       8.93292521       7.02743531      -2.55901115       0.77332706      -0.06094364       0.20657880 
O       8.93606962       6.13992001      -7.76094657       1.28078183      -0.39219193       0.21387948 
O       1.21179455       1.11175539     -10.46432417       0.25387194      -0.07128785      -0.70535623 
O       1.22879982       1.72482714      -5.40909904      -0.24321771      -0.09836088       0.09841835 
O       6.39696954       2.86147133      -0.21680610       0.09367625      -0.76028193       0.96855252 
O       6.60375917       2.01947140      -5.36088603      -0.69884924      -0.57160929      -0.10662956 
O       1.21813678       7.94317479      -0.06043402       0.05152332       0.41718797      -0.91877423 
O       1.45045235       7.10021994      -5.57160904       0.68649597       0.63025653       0.74295871 
O       6.51493950       6.19070232     -10.48854440      -0.76073589      -0.03950608      -1.45305701 
O       6.51552073       7.01688346      -5.40156046       0.04203778       0.30303139       0.10634917 
O       3.50397581       4.66300755      -0.77210665      -0.42332879       0.88732685       0.21784773 
O       3.68268234       3.87876074      -5.89991434       0.22405773      -0.40471951      -0.40452687 
O       8.57425035       4.58158770      -0.82442865       0.24772860       1.22012133      -0.05849908 
O       8.73045618       3.70468677      -5.96238988       0.09916040       0.55478466      -0.50356324 
O       3.39337309       9.76118498      -0.84057477       0.84181733      -0.65584028      -0.08470860 
O       3.53248699       8.89715193      -5.88794010       1.22535649      -0.40399832      -1.56825985 
O       8.67977741       9.72090536      -0.74517359      -0.25841400       0.66738054      -0.36974957 
O       8.63493996       8.92285321      -6.11972340      -0.55825578       0.16396072       0.86902780 
O       0.92224435      -0.02322298      -1.77166742      -0.15361052      -0.19181294      -0.27354351 
O       0.94032668      -0.99753409      -7.01320915       0.36785628       0.69084371      -0.23132229 
O       6.12507236      -0.00808833      -1.81655238      -0.78974812      -0.61501816      -0.58211291 
O       6.04459339      -0.78874138      -7.14549237      -0.22532430      -0.91570342       0.27742888 
O       1.04815020       5.07937443      -1.83631217      -0.48291704       1.14317665      -0.34358259 
O       0.93200894       4.12687641      -7.09269553       0.94855439       1.44787038       0.05617749 
O       6.09186674       5.25072876      -1.70625402      -1.20619563      -0.99997387      -0.86485841 
O       6.15203122       4.29606162      -7.08652423      -0.72578424      -0.32638647      -0.45397228 
O       1.70208618      -0.56583889      -4.39372681      -0.67597062       1.32015126      -0.12193203 
O       1.73752072      -1.21775176      -9.70297022      -0.06139956      -0.25224334       0.02277959 
O       6.75003135      -0.43679092      -4.53078643       0.83467575      -0.67029004       0.27657020 
O       6.98159206      -1.26061373      -9.67442018      -0.62271236       0.29114707      -0.11869253 
O       1.59486893       5.79919299      -4.87223994      -1.52614406      -0.36902845       1.73523169 
O       1.78159427       3.95539909      -9.66556168      -0.70388734      -0.55195414       0.03474574 
O       6.91652076       4.63251738      -4.46943928      -0.42089343       1.08397803       0.57308822 
O       6.85910545       3.83624090      -9.61039476      -0.00135042      -0.13753241      -0.57461874 
O       4.32443610       4.39464891      -3.27612907      -0.92383416      -0.83176139      -0.75997277 
O       4.14672923       3.49456044      -8.60801448       0.55456310      -0.58012455       0.75387850 
O       9.59002887       4.18635647      -3.43764109       0.12033667       0.42357868       0.34928569 
O       9.39201852       3.31169736      -8.58686105       0.59359832       0.23248080      -0.31998208 
O       4.32130208       9.41293111      -3.35653783      -0.20188868      -0.48141283      -0.04842567 
O       4.28818571       8.50195756      -8.74404252       0.77639251       0.45994124       0.52354505 
O       9.45928706       9.38200877      -3.39121275      -0.50904816      -0.37473426      -0.36832547 
O       9.53786907       8.47276197      -8.62561881      -0.49209377      -0.21523181      -0.88788426 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013658148593551118 -0.004113393470133952 0.0023914884228474196 -0.004113393470133952 -0.015048083698763207 -0.004129687797276838 0.0023914884228474196 -0.004129687797276838 -0.013363825381067502" pbc="T T T" energy=-946.34481232 free_energy=-946.37951281 config_type=crystal 
Hf       2.80060863       2.08758698      -9.33593194      -0.12619971       0.57593782      -0.80586578 
Hf       7.98409074       2.96426382      -4.13497139       0.62363783       0.66950431      -0.32571169 
Hf       8.01031741       2.09973072      -9.39350003       0.21939396      -0.36277615      -0.34320049 
Hf       2.86656488       8.22000247      -4.09085371       0.22977393       0.01828021      -1.25250506 
Hf       2.74529268       7.31925261      -9.45890691       1.33108005      -0.04166016      -0.40331052 
Hf       8.01177548       8.20277838      -4.14070597      -1.10978034      -0.16582290      -0.51392654 
Hf       8.04199814       7.15016800      -9.44605934      -0.84520925       0.93366680       0.39086138 
Hf       0.28502481       0.74903043      -3.74035237      -1.22127208       1.11507948      -0.01401083 
Hf       0.24680961      -0.06174035      -9.02110025      -0.52142115      -0.77273226       1.83005485 
Hf       5.33123325       0.91302849      -3.74339145      -0.52636590      -0.10823460       0.65632654 
Hf       5.40867357       0.00342425      -9.02151050       0.81442519      -1.40850718       0.35441209 
Hf       0.01212932       5.91325544      -3.30094290      -0.85701892       0.10443668      -1.46563798 
Hf       0.30152698       5.00610673      -8.96928322      -1.96435131      -0.64176834      -0.35442375 
Hf       5.36708652       5.96094132      -3.69001036       0.69833715      -0.75419449      -1.26964872 
Hf       5.40737364       4.94733448      -8.91198604       0.75121167       1.12844253      -1.02828372 
Hf       2.37633206       1.34723199      -1.14945137       0.59952769      -0.84857100      -0.38064070 
Hf       2.40503431       0.41910102      -6.35157915      -1.11156089       0.09125096       1.29136712 
Hf       7.57492851       1.11980943      -1.11682426       0.10490087       0.70470273       0.40027853 
Hf       7.49871777       0.41539605      -6.29813023       1.23921103      -0.32043185      -0.36467077 
Hf       2.47333408       6.32262089      -1.08457130      -0.53905575       0.37015551       0.76468271 
Hf       2.55745131       5.47961625      -6.57878126      -0.76961707      -1.32209436       1.59859661 
Hf       7.52335846       6.29562502      -1.06648782       0.29394270       1.26053349       0.53759578 
Hf       7.60968394       5.48586680      -6.38493458      -1.24965206       0.02399372       1.96775773 
Hf       4.92333395       3.47913710      -1.57781297      -0.01346522      -0.54949708      -0.33927315 
Hf       4.94761857       2.55383086      -6.73168626      -0.38977687       0.44812769       0.14889526 
Hf      10.17827978       3.34874684      -1.50698526      -0.72676414      -0.60323788      -0.01791132 
Hf      10.15064804       2.54321722      -6.79229942       0.13748249      -0.12995883       0.73634533 
Hf       4.96199925       8.59524659      -1.49696917       0.98343905       0.14180422       0.04512509 
Hf       5.01897049       7.78003039      -6.86231228       0.27407172       0.25865974       0.90472572 
Hf      10.28396550       8.60555645      -1.53884225      -1.30648550      -0.49660453       0.70339846 
Hf      10.05257935       7.70011127      -6.86468247      -0.03343556       1.08426912       0.63645784 
O       1.14122314       2.28645945      -2.59353959       0.54136899      -0.35741608       0.39410178 
O       1.28900597       1.55932353      -7.91284330       0.72988723      -0.95319377      -1.15632664 
O       6.63089613       2.47646219      -2.68345274      -1.75658565      -0.83809278       0.24020890 
O       6.55614273       1.50488919      -7.97841085      -0.68014798       0.16222053       0.63797810 
O       1.38677324       7.40213356      -2.66788951      -0.32983030       0.62571698       0.06365393 
O       1.27583388       6.60553404      -8.13246041       1.10594177       0.61521575       1.50295473 
O       6.47270243       7.53809465      -2.74828693       0.39250814      -0.05424091       0.43758107 
O       6.57023821       6.76134399      -7.91519459       0.37707138      -1.17618723      -0.54433704 
O       4.02249278       1.28614071      -5.26778983      -0.23386672      -0.01797637      -0.44079655 
O       3.91609637       0.53753762     -10.42650390       0.48199459       0.28474149       0.21676522 
O       8.98021986       1.38597933      -5.12640093       0.90280272       0.18434180      -0.01076698 
O       9.16168345       0.42032042     -10.40648968       0.42095667       0.63673948      -0.34903177 
O       3.97627706       6.58418777      -5.25426330      -1.21154844       0.55233714       0.43834769 
O       3.94233124       5.60340663     -10.38593174      -0.13582384       0.38165098      -0.38493111 
O       9.12177931       6.63754841      -5.03360957      -0.08657271      -0.10315854      -0.57345122 
O       9.12307426       5.66807874     -10.36247070       0.94614695      -0.59879233      -0.03083788 
O       3.85384936       1.85444816      -2.47498652       0.93574173      -0.02008746       0.19670276 
O       3.85712926       1.02488077      -7.85377216      -0.11150294      -0.47423691       0.74356968 
O       9.01581306       1.77352760      -2.59407428      -0.01166907       0.18953364       0.82730528 
O       9.04132279       0.93182946      -7.78122834       0.20031313       0.40215281      -0.03945864 
O       3.86341175       7.05818717      -2.54043782       0.04101600      -0.07003268       0.39001223 
O       3.97221695       6.17811709      -7.82769564      -0.63178017       0.36761076      -0.84472086 
O       8.98647814       7.03039094      -2.42021610       0.08152863       0.20506193       0.02061567 
O       9.06921492       6.02883909      -7.73263982       0.12822627       0.54091015      -0.27671071 
O       1.34804602       2.85279313      -0.02343468      -1.13229292       0.01837512      -0.36818658 
O       1.13147996       1.73702561      -5.34950318      -0.43672268       0.46315400      -0.95799795 
O       6.53795837       0.98573246     -10.49574003      -0.85032688       0.22793482      -1.31095136 
O       6.41892164       2.01420390      -5.33953687       0.20657136       0.19681741       0.22910640 
O       1.25656144       7.92832842      -0.03822433       0.51030030       0.14303554      -1.35350372 
O       1.24627703       7.02003823      -5.47361716       1.34978414       0.57055985       0.19358632 
O       6.51234816       6.16894805     -10.48440276      -1.29464211      -0.38952305      -1.25198065 
O       6.35103893       7.08294008      -5.36710510       1.21864485      -0.06372084       0.14750737 
O       3.44743432       4.62495199      -0.74708533       0.37123404       0.09448843       0.12344824 
O       3.53838680       3.83392456      -6.16619479      -0.15419995       0.20139016      -0.10672448 
O       8.57961611       4.62645929      -0.83763156       0.91496964      -0.93865365       0.07526401 
O       8.72527205       3.78087424      -6.00406156      -0.19897386       0.16290513      -0.38539000 
O       3.51393886       9.79518055      -0.85261275      -1.03054110       0.24118664       0.79920491 
O       3.54572713       9.06708147      -5.94293513       0.58205231      -1.46871695      -0.48628708 
O       8.69217335       9.68968438      -0.90970674      -0.49141845       0.77503193       0.63036310 
O       8.61810062       8.93604098      -6.04040765       0.43434483      -0.37101096      -0.08679572 
O       0.98816173      -0.10104594      -1.86382990       0.78756128       0.92300182       0.28807392 
O       0.83886878      -0.88868608      -7.08153709       0.39428354      -0.17911370      -0.20042074 
O       6.03807836       0.04957197      -1.82017518       0.29409075       0.08481468       0.07158775 
O       6.25936453      -0.90751209      -7.11784118      -1.66399436       0.16992738      -0.64063444 
O       0.89579346       5.04960554      -1.69836493       0.34146538       0.72609715      -0.01181557 
O       0.93999139       4.22145001      -7.10443508       0.33603530       0.59991371       0.16213177 
O       6.07785460       5.16134622      -1.80261999      -0.30223327       0.21977821       0.04369449 
O       6.05666401       4.32046385      -7.11233562       0.81437247      -0.11288438       0.80199473 
O       1.62261060      -0.51022364      -4.49084189       0.95396598      -0.97901017       0.09522336 
O       1.84313349      -1.19949833      -9.63458453      -1.16769416      -0.05050745      -0.61787738 
O       6.80616752      -0.34218821      -4.43994902       0.34542124      -0.45801138       0.00675209 
O       6.91932937      -1.32406615      -9.67881163      -0.00048088      -0.38316470      -0.59442097 
O       1.42561622       5.72369794      -4.75775132       0.30154835      -0.36000059      -0.75760924 
O       1.75525955       3.86028183      -9.64694288       0.84297640      -0.64208090      -0.38033284 
O       6.92908585       4.75322468      -4.45291336      -0.41878548       0.20787745       0.12173746 
O       6.98602072       3.84433250      -9.66891966      -0.81855356      -0.01601530       0.43163954 
O       4.20465917       4.36375360      -3.25086235       0.33101046       0.08717103      -0.38213573 
O       4.34791100       3.26533333      -8.67806567      -0.03100797       0.31267701      -0.38840561 
O       9.48817925       4.20149896      -3.34001169      -0.26640415      -0.94046562      -0.04958065 
O       9.49491091       3.29836647      -8.75081099       0.58233439      -0.05029749       0.67304783 
O       4.28360931       9.42680897      -3.33639949      -0.45071956      -0.38786518      -0.55566766 
O       4.20582673       8.59461766      -8.71241182       0.70321895      -0.45581115       0.62574714 
O       9.51881379       9.27499482      -3.41713996       0.41142238       0.41710998      -0.17714530 
O       9.48847329       8.40300907      -8.72910260       0.61286533       0.51277320       0.02025633 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013865867146973665 -0.0003711939447119413 9.211753441159688e-05 -0.0003711939447119413 -0.019655284499330527 0.0022948429731574323 9.211753441159688e-05 0.0022948429731574323 -0.008926985785661017" pbc="T T T" energy=-946.68629948 free_energy=-946.72110088 config_type=crystal 
Hf       2.80118239       2.07510566      -9.44208025       0.75191961       0.36255551       1.18353362 
Hf       7.99399934       2.97803622      -4.22303172       0.69656486      -0.35217981       0.93717601 
Hf       7.99193022       2.19278767      -9.43904065       0.12043516      -0.69254276       0.41869440 
Hf       2.85713288       8.21106850      -4.16815765       0.92238672      -0.94672293       0.76924588 
Hf       2.77643302       7.32725008      -9.45351570       0.82975967      -0.10763028       0.37809813 
Hf       7.94024526       8.19965392      -4.14404936       0.82232541      -0.56001890       0.94873604 
Hf       7.92213258       7.20046556      -9.51426967       0.94284100       0.74170784       0.65358708 
Hf       0.24022882       0.85224337      -3.70021536       0.65674210      -0.11996923      -1.15660842 
Hf       0.14947717      -0.10890327      -8.91903939       0.22010360       0.13000615      -0.62132716 
Hf       5.42482154       0.81261655      -3.67557941      -1.64906549       0.42019638      -0.49922959 
Hf       5.46629108      -0.09463389      -8.98185788      -0.72857390       0.34624590       0.68622679 
Hf      10.36269339       5.93243554      -3.50720337       0.06733801       0.85568865       0.37155037 
Hf       0.16843499       5.04976200      -8.90048171       0.17763797      -0.06688849      -1.40447826 
Hf       5.42231520       5.83292197      -3.73520761      -0.96348452       0.71121986       0.80482432 
Hf       5.42441518       5.03540238      -8.94274646      -0.84344854      -0.01146648       0.48186054 
Hf       2.34409939       1.28029264      -1.11348035       0.22660660      -0.10800499       0.03108567 
Hf       2.42232719       0.37081220      -6.28944068      -0.08941561       1.76738221      -0.57430147 
Hf       7.54017225       1.31787920      -1.09112776       0.25323082      -1.08586095      -0.12085474 
Hf       7.58244506       0.29064751      -6.29710579       0.64407795       1.15344967      -0.62765689 
Hf       2.37342069       6.39656426      -0.97424081      -0.03471914       0.26796270      -1.76038687 
Hf       2.51208313       5.29814428      -6.55502515       0.65296683       0.79206910       0.30048842 
Hf       7.54475270       6.44453763      -1.05486241      -0.00574548      -0.86400927      -0.44745624 
Hf       7.66581159       5.50584112      -6.28076909      -0.53760980      -0.92634046      -0.51052163 
Hf       4.84059385       3.44692935      -1.60522390       0.62048919       0.13461493      -0.47962993 
Hf       4.99986159       2.55898486      -6.66091505      -0.28125289      -1.04704049      -1.70533516 
Hf      10.20997413       3.32007277      -1.52668320      -0.43831856       1.78441310      -0.32380478 
Hf      10.26347937       2.52058363      -6.80766755      -1.30621556      -0.76658152       0.16115627 
Hf       4.97353653       8.62231692      -1.57961203      -0.55856651      -0.36640684       0.49513110 
Hf       5.04216724       7.72160564      -6.78782207      -0.67479248       0.06074656      -0.04165472 
Hf      10.23345630       8.67533962      -1.56071549      -0.49459603      -0.75788786       0.40563758 
Hf      10.18127676       7.74554614      -6.86357896      -1.20783508      -0.58803076       0.15373657 
O       1.23350715       2.28307449      -2.57716677      -0.08954398       0.44150515      -0.08513239 
O       1.42652142       1.38873678      -8.01786228      -0.57750303       0.23195643       0.30081151 
O       6.49356573       2.29367778      -2.68162333       0.22337160       1.13051915      -0.60553587 
O       6.56326216       1.52448887      -7.91757959       0.31992371      -0.33722197      -0.59140026 
O       1.28834369       7.47792885      -2.58713077       0.69031542       0.77735706      -0.97576968 
O       1.31330669       6.57586618      -7.90634323       0.57629411       0.53131091      -0.47245081 
O       6.59454578       7.52542643      -2.62261130      -0.98807519       0.11337317      -0.99352881 
O       6.56786891       6.59836766      -7.97698298       0.30283730      -0.25162468       0.21444191 
O       4.01272559       1.28721427      -5.29996604       0.82690283      -0.14361571       1.12690014 
O       3.85859138       0.47168383     -10.36454299       0.10230878       0.49898400      -0.31063272 
O       9.19721597       1.34391400      -5.15313111      -1.25887393       0.09154066       0.20079113 
O       9.08001563       0.46523208     -10.36598661       0.01670900       0.54339929      -0.41598356 
O       4.03507054       6.64261321      -5.24588267      -0.58726116      -0.16807472       0.14751338 
O       3.95732371       5.73488275     -10.36893833       0.03311935      -0.43172882      -0.38076787 
O       9.11402150       6.57729385      -5.09254778       0.32424067      -0.15262576      -0.27137264 
O       9.10248703       5.64030894     -10.35580094       0.17469153       0.38794857      -0.09212676 
O       3.87547956       1.74393981      -2.44989758       0.56782464       0.05883950       0.19788379 
O       3.96640618       0.92804186      -7.77798125      -0.56432067       0.39864043      -0.28592729 
O       8.99522033       1.93049512      -2.55212938      -0.02640541      -0.65920614       0.17292641 
O       9.05514594       0.96760424      -7.77904821       0.12327060      -0.15415682       0.13351788 
O       3.92205146       6.99667622      -2.58480489      -0.69960344       0.24523926       0.76311987 
O       3.93454413       6.21384592      -7.82814632      -0.83095408      -0.99927402       0.24495891 
O       8.98984148       7.10179658      -2.41041496       0.65976927      -0.55358703      -1.00049616 
O       9.12299487       6.06298468      -7.72494563      -0.73456320       0.15908377       0.31910596 
O       1.15850729       2.86840611      -0.02793775       0.74847068      -0.28180629      -0.05664652 
O       1.14079028       1.87289607      -5.43596741       0.80259552      -0.72943854       0.60986424 
O       6.41525231       2.78580768      -0.10212102      -0.21145266       0.64419714       0.18446469 
O       6.51872614       1.94482933      -5.30841166      -0.36001741      -0.36100910       0.18806159 
O       1.31958565       7.94417073      -0.05402782      -1.07098188       0.62812625       0.46357043 
O       1.35482371       7.06666584      -5.23407729      -0.35046922       0.18416034      -0.62870820 
O       6.41797997       8.05381797      -0.10366692      -0.07777511      -0.75758730      -0.00252339 
O       6.48029950       7.02125062      -5.38073003       0.54702238       0.36589744       0.46178283 
O       3.44975385       4.68925562      -0.80435174       0.03169784      -0.63659595       0.39711500 
O       3.35739327       3.62518971      -6.31229426       0.23737454       0.19936160       0.05930991 
O       8.60945745       4.64822035      -0.85556435       0.17232092      -0.23732470       0.08267206 
O       8.68184092       3.62500431      -6.05103782      -0.22291747       1.29236315      -0.40186420 
O       3.34791410       9.79055143      -0.86081150       0.86360958      -0.53967974       0.09165492 
O       3.56192041       9.05178221      -6.05330615       0.28823676      -2.06821345       0.32268307 
O       8.64895429       9.78361610      -0.89908424      -0.22415759       0.23856873       0.34784263 
O       8.61958737       8.81555720      -5.98542355       0.26070233       0.61014978      -1.31814202 
O       0.90458064       0.01900395      -1.85079773      -0.08757671      -0.21126805       0.19952840 
O       0.84037600      -0.87275695      -7.06521036       0.14277941      -0.36474203       0.32982323 
O       6.06440083       0.04606253      -1.80827414      -0.15102238      -0.38059920       0.12489091 
O       6.09243187      -0.83494027      -7.07805467       0.61647920      -0.04627893       0.19844332 
O       0.85841926       5.20720595      -1.87903390       0.23673859      -1.47541968       1.62024232 
O       0.86362470       4.22678179      -7.13618675       0.55521523       0.58534542       0.89977064 
O       6.08699369       5.15287620      -1.81369758      -0.08335899      -0.00837797       0.30711002 
O       6.06782432       4.24536375      -6.90454731       0.55978716       1.58484761      -0.49955025 
O       1.82439023      -0.36055404      -4.43228023      -0.90518782      -0.34576662       0.52853938 
O       1.65719168      -1.30959995      -9.68845380      -0.25508422       0.27154596       0.00450821 
O       6.96630378      -0.34187314      -4.36857339      -0.23428394      -0.31001342      -0.36120344 
O       6.91997938      -1.34301988      -9.76195873      -0.40182369       0.29998617       0.43552465 
O       1.71377443       5.71422558      -4.67353674      -0.54580339      -0.28619001       0.01928851 
O       1.73997511       3.87124617      -9.62422844       0.27590692      -0.41697357      -0.19951782 
O       7.05190652       4.78264634      -4.31778175       0.16046590      -0.37599709      -0.60942005 
O       6.94201034       3.95073317      -9.66426391       0.32710264      -0.60124907       0.18255253 
O       4.26718838       4.25429108      -3.37191646       0.53267789       0.05054640      -0.36747833 
O       4.42912685       3.24368485      -8.75241663      -0.38133016       0.35093061       0.10632789 
O       9.61048216       4.12080092      -3.50041789      -0.01964331      -0.00788230       0.05005765 
O       9.55268012       3.28565716      -8.75167834      -0.34673250      -0.23983354      -0.05987723 
O       4.37385172       9.28595438      -3.45014813       0.51628009       0.90042435      -0.03874225 
O       4.37059229       8.46644386      -8.64377695      -0.53983464       0.11543028      -0.93060056 
O       9.54123999       9.31949490      -3.49297844       0.40696625       0.17693673       0.34188872 
O       9.42778670       8.39517044      -8.71710064       0.75816883       0.32555667       0.81523509 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011453182552893236 -0.004193976271258296 0.0010139090215839455 -0.004193976271258296 -0.015587177634342374 0.0012957374755371291 0.0010139090215839455 0.0012957374755371291 -0.014520404634530042" pbc="T T T" energy=-946.36359658 free_energy=-946.39909337 config_type=crystal 
Hf       2.82044049       2.17900133      -9.41219474       0.12087952      -0.95516872       0.21282246 
Hf       8.00106703       2.98529648      -4.08765859       0.41326067       0.75049671      -0.73225008 
Hf       7.97698866       2.08087708      -9.43112877       0.22577604       0.37354662      -0.18842596 
Hf       2.86502233       8.11443813      -4.16128387      -0.51033151       1.22684007      -0.17904797 
Hf       2.91913333       7.29803187      -9.39656725      -0.78272303       0.80285062      -1.63245779 
Hf       7.90917433       8.23044690      -4.08199395       0.84361896       0.03956660      -1.09537856 
Hf       8.01601752       7.26155059      -9.46456431      -0.09880507       0.22119176       0.13399059 
Hf       0.24252694       0.73040292      -3.70636702       1.16867638       0.88802256      -0.28134156 
Hf       0.20864990      -0.09560271      -8.90598685       1.56948547      -0.12113548      -0.39371829 
Hf       5.29827076       0.88049225      -3.74311980      -0.25899958       0.09575403      -0.78559132 
Hf       5.40222359      -0.01127714      -8.96549681       0.49355266      -0.28962044      -0.50093180 
Hf      10.31019061       6.00184430      -3.40548368       0.17428765      -1.00359857      -0.86194090 
Hf       0.20767176       4.97753396      -8.90284455       0.39275272      -0.05039765      -1.11897823 
Hf       5.31436647       5.92005281      -3.78476313       0.70877541      -0.44451987       0.59864601 
Hf       5.33169208       5.04558415      -8.95507246       1.73661440      -0.06690514      -0.76661837 
Hf       2.47383438       1.25531447      -1.15217711      -1.46147357      -0.42577865       0.37516809 
Hf       2.29727698       0.43247065      -6.30700921       1.38309733      -0.05785315       0.09651903 
Hf       7.64529502       1.25419816      -1.26345296      -1.05901077       0.34662822       2.58235481 
Hf       7.60991191       0.36696094      -6.28243816      -1.00867499       0.48497914      -0.00832001 
Hf       2.40172770       6.36138710      -1.09118026       0.27644323       0.77884548       0.13145534 
Hf       2.49089077       5.38770492      -6.61104703       1.13312940      -0.20114054       1.56692010 
Hf       7.49371391       6.30485848      -1.04375878      -0.01162568      -0.63342322      -0.10985343 
Hf       7.60237749       5.36729439      -6.36068106      -0.74047149       0.63571589       1.16143263 
Hf       4.81867064       3.42788978      -1.64718235       1.63350437       0.89127146       0.25022058 
Hf       4.93413124       2.53918612      -6.72064500       0.06426455       0.02961099      -0.28767574 
Hf      10.30093140       3.37645957      -1.46017260       0.95965286       0.68730214      -1.06756851 
Hf      10.17032456       2.52499122      -6.76634271      -0.15988156       0.18761978       0.49760459 
Hf       5.08440296       8.64029518      -1.56428422      -1.40720139       0.12475120       0.00148167 
Hf       5.10748385       7.71560636      -6.85438759      -0.91060888       1.05064773       0.96440317 
Hf      10.28905726       8.61087107      -1.41474760      -0.60533967      -0.18418457      -1.13498274 
Hf      10.08928909       7.70172269      -6.78881973      -0.21576126       0.47851054       0.40102033 
O       1.30191248       2.25843133      -2.61872829      -0.69739796      -0.52912331       0.74031730 
O       1.33557579       1.56930727      -7.94545581      -0.25903886      -0.99151994      -0.26851297 
O       6.52191658       2.51152878      -2.73011556       0.16458235      -0.96041826      -0.10911277 
O       6.53461269       1.49540127      -7.95344025       0.00930087       0.06347017      -0.26132297 
O       1.26222873       7.44321928      -2.67997264       0.24816626       0.72378096      -0.73523109 
O       1.43658982       6.63580591      -8.04624431      -0.92381431      -0.68692130       0.04290564 
O       6.48728282       7.56213658      -2.79311476      -0.62820252      -0.33806387       0.70263444 
O       6.52042256       6.61840848      -8.04046741       0.52827956       0.04502850       0.07167119 
O       4.04090646       1.27424639      -5.39978460      -0.02549571      -0.61770418       1.41353963 
O       3.91698630       0.63950408     -10.39594520       0.61554887      -0.52086055      -0.24496077 
O       8.95749742       1.41235326      -5.09217259       1.03501185      -0.00763286       0.43481898 
O       9.30893367       0.59374859     -10.42273891      -0.96478199      -0.71761987       0.79119434 
O       3.84981886       6.65259474      -5.25659117       1.30515896      -0.86638941       0.30877492 
O       3.93017542       5.68924227     -10.43168919       0.48496369       0.23149780       0.46354149 
O       9.16469778       6.59504372      -5.12140601      -0.20484838       0.50348486       0.21279078 
O       9.25976212       5.64076838     -10.31883174      -1.20057825       0.94728433      -0.43621113 
O       3.94733988       1.72804871      -2.41163019       0.88976859       0.36328706      -0.58048825 
O       3.82856187       0.95807885      -7.85610329       0.22837967       0.87697919      -0.17205746 
O       9.12766427       1.83918424      -2.53830232      -0.67412569       0.10173529       0.18680674 
O       9.06569229       0.99352619      -7.68175409       0.07914355      -0.65529964      -1.00870071 
O       3.81591044       7.13369178      -2.54198204       0.57847160      -0.83145939      -0.04802304 
O       3.95364346       6.21009484      -7.86435381      -0.33086872      -0.21390418       0.34463836 
O       8.92107996       7.01973475      -2.42814677      -0.00933555       0.93572447       0.34571918 
O       9.01736963       6.10529572      -7.72885048       0.55577734       0.28132321      -0.29212208 
O       1.45505566       2.89494134      -0.08962344      -1.19429781      -0.34001725      -0.12968409 
O       1.03467701       1.81226771      -5.34333335       0.38035808      -0.51471986      -0.36326967 
O       6.47573307       2.80044749      -0.13627848       0.26720730      -0.21003724       0.05537042 
O       6.50065981       2.01067143      -5.32853110      -0.72105113       0.05409102       0.01853689 
O       1.34063815       7.91617160      -0.11194023       0.16101779       0.27157212       0.44251052 
O       1.38809541       7.14370756      -5.52600899      -0.08009163       0.22222071       0.27510254 
O       6.47400485       7.89038724      -0.14362900       0.28255228       0.81016228       0.38253719 
O       6.42145001       7.11538028      -5.31900297       0.37277263      -0.58551166      -0.80869498 
O       3.66281547       4.79197232      -0.71987349      -1.01738912       0.13699722       0.21517512 
O       3.55173168       3.79503531      -6.00233768      -0.36629221       0.64225585      -0.56818573 
O       8.70480077       4.69401790      -0.77138263      -0.01824875      -0.49185349      -0.31377063 
O       8.75949892       3.78407373      -5.98985322      -0.26274719       0.10725194      -0.15819580 
O       3.62436650       9.84233046      -0.75162074       0.19435894      -0.18056787      -0.01707885 
O       3.46121424       8.91966295      -6.18780331       0.50184796      -0.16110627       0.51251349 
O       8.73575762       9.85988400      -0.87092377       0.38309283      -0.86312360       0.79726725 
O       8.68705488       8.96481844      -5.97214640       0.15923183      -0.62360487      -0.39340225 
O       1.07877903      -0.19684818      -1.97339426       0.54235910       1.24118970       0.67337017 
O       0.88424704      -0.89876167      -7.00807342      -0.34841230       0.00376420      -0.85379969 
O       6.21735407       0.05844695      -1.89284364      -0.66146570      -0.54872255      -0.20667843 
O       6.09688182      -0.81830756      -6.99471195      -0.17244176      -0.17330698      -0.77272930 
O       0.97389212       5.18162336      -1.83549659      -0.48795881      -1.31475370       0.26872442 
O       0.96109148       4.21774445      -7.08756526      -0.45042232      -0.01670174      -0.14096193 
O       5.99250871       5.22476526      -1.80745866       0.39029515       0.15521548      -0.30886169 
O       6.01406359       4.29877671      -7.04735894       0.83098669       0.49705988       0.18811856 
O       1.77110527      -0.49466051      -4.54342588      -0.95679739       0.32825848       0.75832582 
O       1.71635392      -1.30773067      -9.82852918      -0.74978827       0.01724025       1.19141257 
O       6.79821479      -0.37331487      -4.42235224       0.41937307      -0.28601192       0.00765268 
O       6.96460487      -1.33369926      -9.69459433      -0.13100622       0.53579281      -0.20406497 
O       1.40549043       5.80312012      -4.87948219      -0.03994566      -0.26575225       0.22400146 
O       1.61678923       3.76812071      -9.73872430       0.09116137       0.68657381      -0.14559010 
O       6.98591422       4.77352189      -4.38185621      -0.34405650       0.35590817      -0.38411281 
O       6.91666083       3.82218246      -9.62727697      -0.35477439       0.02038473      -0.09175387 
O       4.26745718       4.27282470      -3.42830071       0.09519011       0.22125719       0.08664070 
O       4.16075592       3.50769794      -8.61011333      -0.24795232      -1.11557506       0.65200258 
O       9.62584463       4.14507554      -3.33797164      -0.65813009      -0.14933362      -0.37005520 
O       9.49418463       3.24790708      -8.71903611       0.23431103       0.58332652       0.64174451 
O       4.18177517       9.44220642      -3.35416396       0.90877591       0.15448925      -0.51169606 
O       4.39787990       8.55020230      -8.72270649      -0.37378518      -0.72747914       0.09813957 
O       9.52905103       9.34243551      -3.42217016      -0.72530401      -0.83258372       0.22360177 
O       9.54371205       8.47299800      -8.62834750      -0.76012564      -0.44144905      -0.55075644 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017943268698831335 0.0002680485936597684 0.0025667257633222858 0.0002680485936597684 -0.021402356503540863 -0.0008193409658821056 0.0025667257633222858 -0.0008193409658821056 -0.01973943199483741" pbc="T T T" energy=-946.39304091 free_energy=-946.42764335 config_type=crystal 
Hf       2.80114914       2.25327679      -9.43963477       0.58848824      -1.64990986       0.75319187 
Hf       7.93878698       2.97862244      -4.14850360       0.35802966       0.61117591       0.60785274 
Hf       8.13147791       2.02995343      -9.41351257      -2.18172848       0.32546668      -0.45545646 
Hf       2.81800251       8.16582025      -4.12693330      -0.11521281      -0.55561428       0.11707718 
Hf       2.85713641       7.23751809      -9.43468437      -0.72485730       0.42984917       0.50759365 
Hf       7.88558108       8.19387188      -4.16197323       0.53263254       0.31250550       0.03788333 
Hf       8.07101231       7.22777496      -9.46251344      -0.88059905       0.84733439       0.14231073 
Hf       0.21264799       0.72582405      -3.72669279       0.40360669       1.07671499      -0.26463675 
Hf       0.36109787      -0.13344123      -8.95488902      -1.05091294       0.09241727      -0.53296836 
Hf       5.31225319       0.83889804      -3.68915089       0.21362993       0.18267877      -0.29865585 
Hf       5.35162337      -0.18211042      -9.02681403       0.62656993       0.84164112       0.76980505 
Hf      10.29468226       5.96579768      -3.48656836       0.21526220      -1.28035541       0.44690759 
Hf       0.13812318       5.03165701      -8.98406773       1.07156909       0.61813907       0.27856921 
Hf       5.40925127       5.91021842      -3.71137948      -0.65275676       0.27769732      -0.18577965 
Hf       5.43475726       5.01012014      -8.92155187       0.97659881       0.18295479       0.02547407 
Hf       2.42487479       1.26637002      -1.11022318      -0.34820539      -0.30481042      -0.54562928 
Hf       2.42898259       0.44360496      -6.30232910      -0.27844944      -0.04440402       0.20117991 
Hf       7.56881216       1.28322661      -1.13951435       1.17526087      -0.95369052       1.40671857 
Hf       7.54264493       0.39272638      -6.32167884      -0.37404645      -0.02041594      -0.80258910 
Hf       2.41892478       6.50884269      -1.04661756      -0.61898058      -1.87177112      -1.19246275 
Hf       2.55556641       5.31883761      -6.51289723      -0.34973546      -0.19025366       0.52186587 
Hf       7.51051627       6.30438594      -1.04022208       0.01779126      -0.16699988       0.27925809 
Hf       7.57601128       5.52296938      -6.37249516       0.40260080      -0.17698603       0.83706564 
Hf       4.93090827       3.41421613      -1.55869476       0.23969414       0.91126158       0.43809409 
Hf       4.99855585       2.54146108      -6.75208491       0.27794439      -1.02937862       0.23975933 
Hf      10.33193136       3.34173255      -1.53068414      -1.60312232       0.32150068      -0.42864588 
Hf      10.08349920       2.57409696      -6.71997989       1.41554620      -0.77622939      -1.19863309 
Hf       5.02865830       8.63383338      -1.52054666       0.61267651      -0.45559627      -0.46271591 
Hf       4.96772878       7.75947446      -6.71420090      -0.90975385      -0.32901615       0.10646691 
Hf      10.23601502       8.62492778      -1.55239032      -1.46560427      -0.07440248       0.19773374 
Hf      10.07733682       7.79090232      -6.85418629       1.01362013      -0.50220773       0.14532008 
O       1.24063593       2.22658816      -2.56850840       0.39073855      -0.41253240      -0.82801648 
O       1.40539619       1.36316095      -7.99967422       0.05976560       1.36969168      -0.48995421 
O       6.59260716       2.33189272      -2.60178864      -0.38936323       1.30376978      -2.06515075 
O       6.58896765       1.53334848      -7.97420862      -0.28850456      -0.86805902       0.17084343 
O       1.29410906       7.46430433      -2.66179130       0.23445938       0.34320502      -0.77178176 
O       1.32184990       6.70348226      -8.10648029       0.42844921      -1.02029074       0.17864970 
O       6.47086408       7.51682779      -2.69691838       0.74569421       0.20643215       0.35769172 
O       6.58473173       6.60016495      -7.91698841      -0.06509206       0.46211731      -0.11108477 
O       4.08974791       1.20506600      -5.24443034      -0.58608706       0.17563418      -0.66741359 
O       3.81469124       0.57562636     -10.34799585       0.85557656      -0.17192744      -0.05437048 
O       8.99685804       1.46813011      -5.13664918       0.34466658      -0.17905288      -0.02938685 
O       9.18206536       0.49359718     -10.40308077       0.39054933       0.15125687       0.10671421 
O       3.86281712       6.56790892      -5.14685712       0.49533379      -0.26917662       0.04398590 
O       3.92269888       5.64813572     -10.40613854       0.20070946       0.31653207       0.57785898 
O       9.20585145       6.75005463      -5.14277628      -0.58731143      -0.38265097      -0.06843773 
O       9.13258460       5.70183280     -10.41992035      -0.20335182      -0.57377060       0.00840789 
O       3.96484836       1.81314038      -2.35175018       0.29424444      -0.62070153      -0.57980392 
O       3.94613035       0.94558543      -7.81396255      -0.32876386       0.66602662       0.12623856 
O       9.10786983       1.81235619      -2.51312370      -0.72966903       0.16695424      -0.37429732 
O       9.03910571       0.99972169      -7.82660221       0.85491413      -0.10214776       1.05248061 
O       3.86774887       6.96285277      -2.50191726      -0.07297523       0.74858700       0.13976536 
O       3.96294475       6.07003877      -7.72953144      -0.18261471       0.59079219      -0.86818802 
O       9.00935372       7.08922098      -2.52251458      -1.43985195      -0.09333855       1.02213507 
O       9.10315939       6.05197199      -7.74475225      -0.24582699       0.70400579      -0.18791551 
O       1.35795171       2.82360610      -0.14526352      -0.27263575       0.39512213       1.14037495 
O       1.07039957       1.75909444      -5.42716026      -0.24829633       0.35146658      -0.04946773 
O       6.38827754       2.70220849      -0.06835965       0.17311128       0.39655639      -0.32054662 
O       6.46432328       1.99320464      -5.31976395      -0.10468807       0.36990653       0.35784503 
O       1.22062089       7.98384635      -0.12376483       0.85328506      -0.14895467       0.21305121 
O       1.44359714       7.20771028      -5.58587429      -0.26310461      -1.06356764       0.83323258 
O       6.46263309       6.16035596     -10.49269560      -0.25215479      -0.53083406      -0.88222475 
O       6.30332711       7.16328003      -5.21717912       1.23356149      -0.16230991      -1.32813415 
O       3.62305753       4.79215519      -0.66499449      -0.14155906      -0.13967924      -0.64666407 
O       3.62028467       3.74736669      -6.01774781      -0.76181825       0.57567981       0.14929982 
O       8.64365721       4.65815845      -0.79869487       0.61774437      -0.23465423      -0.23406907 
O       8.68148256       3.80347483      -6.17106034      -0.68619698       0.30701742       1.34387087 
O       3.63341488       9.79894068      -0.75668917      -1.05863808       0.58499568      -0.01749620 
O       3.35262994       8.88474458      -5.98245020       1.35778700      -0.32601157      -1.22209259 
O       8.74794471       9.82529819      -0.80463484      -0.20088905      -0.09506137      -0.03393993 
O       8.56488257       8.91569816      -6.18007373      -0.49472400       0.32937675       0.61644209 
O       0.91831661      -0.07155756      -1.86638994       1.09776949       0.56935259      -0.07072999 
O       0.88725597      -0.84761397      -7.12258986       0.08713594      -0.74531083       0.71917475 
O       6.13316141       0.08680079      -1.85993523      -0.79348123      -1.84996314       0.15975158 
O       5.95509794      -0.82242231      -7.03068538       0.85623903       0.59024125      -0.14381706 
O       0.92582713       5.07298757      -1.90348252       0.73754361       0.83164982       0.29364523 
O       0.90855295       4.24284638      -7.12083973       0.32546279      -0.18730716      -0.04188338 
O       6.13618810       5.13225867      -1.93409162       0.15427987      -0.22583233       1.10394641 
O       6.17850289       4.28014021      -7.05836965      -0.44686774      -0.22596685      -0.13911798 
O       1.72358214      -0.41787971      -4.51301997      -0.45891909      -0.51783226       1.10562504 
O       1.75665112      -1.31356909      -9.78652894       0.05636167      -0.60200661       0.40683951 
O       6.93865511      -0.31510655      -4.40707064      -0.37484284      -0.21215997      -0.18272316 
O       6.87654275      -1.42880670      -9.80998179      -0.38485270       0.44262102       0.87726063 
O       1.38627461       5.81776634      -4.86120687       0.24982503       0.77734496      -0.72919074 
O       1.62693681       3.83413949      -9.78059905      -0.18492226       0.32119790       0.18769665 
O       7.10418248       4.91148494      -4.39030299      -0.32607023      -0.67928476      -0.59527676 
O       6.73622452       3.63267777      -9.73940431       0.20847001       1.13068634      -0.37161857 
O       4.47662286       4.18829419      -3.39513021      -0.31154694      -0.27848345      -0.13612939 
O       4.23903235       3.42766867      -8.51904586      -0.77377233      -0.34987377      -0.46327449 
O       9.44241301       4.16569356      -3.37372025       0.41232746       0.09502037      -0.47330515 
O       9.39612030       3.40306219      -8.75885675       0.56806542      -0.48471120       0.76626494 
O       4.30399185       9.30553234      -3.45841492       0.72110634       0.60749154       0.81880893 
O       4.33601058       8.37356644      -8.62828712      -0.36841368       0.21886983      -0.50107737 
O       9.46602423       9.29163329      -3.46957085       0.49523085       0.63349928      -0.20299270 
O       9.50647832       8.44581834      -8.67322469      -0.11925857       0.33961808      -0.61726337 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017271220426486454 0.0017425733241606919 0.003152623745987444 0.0017425733241606919 -0.017219769195124184 -0.0004560886612083561 0.003152623745987444 -0.0004560886612083561 -0.019507465091079677" pbc="T T T" energy=-946.22489196 free_energy=-946.25381113 config_type=crystal 
Hf       2.92961412       2.19089787      -9.40564910      -1.09251346      -0.52485643       0.19219223 
Hf       7.98502078       2.98133405      -4.18439786       0.11445727      -1.39017211       0.82070029 
Hf       8.00186313       2.06082920      -9.33852443       0.43083581       0.58765652      -1.72102694 
Hf       2.79933052       8.10791405      -4.03672918       0.65548427       1.02635792      -2.33421462 
Hf       2.74655032       7.27574994      -9.53777565       1.30110352      -0.29016769       1.34466758 
Hf       7.97242254       8.26830025      -4.21294475      -0.36569937       0.72324659       0.95293093 
Hf       8.02669843       7.29136745      -9.46206822      -0.42775693       0.34443292       0.32460313 
Hf       0.24775503       0.85315079      -3.70886165      -0.03846871       0.42060344      -0.22553918 
Hf       0.31932026      -0.02597210      -8.98323755      -0.48520878      -0.89857969       0.77582259 
Hf       5.37925999       0.88215595      -3.68074580      -0.68386240      -0.35058077      -0.50130350 
Hf       5.36556777      -0.14281194      -9.02202661      -0.11238441      -0.47204313       0.47311180 
Hf      10.23179084       5.95935768      -3.44904767       0.04738220      -1.07329750       0.69929698 
Hf       0.24781602       5.00959069      -8.94660710      -0.04543864      -0.51284553       0.14060317 
Hf       5.46417873       5.88534146      -3.76147231       0.31804903      -0.19565830       0.46484935 
Hf       5.40347988       5.04499242      -8.93895585       0.11712016       0.33345839      -0.15618195 
Hf       2.36884855       1.22153406      -1.15857260      -0.10334144       1.16650520       0.36178763 
Hf       2.34492396       0.36788000      -6.21368820       1.09490455       0.29918813      -0.31460775 
Hf       7.54450791       1.28154495      -1.09918087       0.27748586      -0.03462092      -0.41970525 
Hf       7.57528272       0.40283574      -6.40683470      -0.11923847      -0.72061758       1.57337643 
Hf       2.34327325       6.43605111      -1.12044886       0.51218666      -1.84597542       0.36174938 
Hf       2.53887108       5.29661614      -6.44608620       1.14061846      -0.38007737      -0.94247455 
Hf       7.54426020       6.38166435      -0.93199622      -0.67550331      -0.43595759      -1.47574724 
Hf       7.67045834       5.48066962      -6.29741661      -1.58225149      -1.01301645      -0.57738221 
Hf       4.91367077       3.49755610      -1.61724865       0.13800846       0.45045177       0.14687236 
Hf       4.95885505       2.45185707      -6.77289014       0.21345835       1.27929377       0.71582305 
Hf      10.19860788       3.39538184      -1.46794734      -0.10193906      -0.58459314      -0.30429539 
Hf      10.18371380       2.59075717      -6.77288174       0.22746690      -1.52027902       0.67870500 
Hf       4.91615707       8.57650827      -1.59659736       2.01581667       0.29825829       0.08357440 
Hf       5.11289273       7.61791258      -6.76792462      -1.70235850       0.59790310      -0.78361557 
Hf      10.19043414       8.66308931      -1.52315259      -1.44165935      -0.44589303       0.41494056 
Hf      10.15077574       7.65260583      -6.90935721       0.58399928       2.35546388       0.99658875 
O       1.25199023       2.27617260      -2.56762195      -0.15171853      -0.59763431      -0.10899124 
O       1.40467458       1.50534455      -8.02526929      -0.47041764      -0.21619176       0.52834748 
O       6.54010614       2.40937806      -2.72812948      -0.09100510       0.10459955      -0.54159146 
O       6.57901157       1.48829975      -7.97971218      -1.10744624      -0.44249872      -0.31885143 
O       1.22428867       7.44196478      -2.64467398      -0.17926762       0.26166248      -0.15394085 
O       1.38822269       6.62440627      -7.93865794      -0.53938796      -0.57587762      -0.46897474 
O       6.42695022       7.58189650      -2.86842328       0.20928037       0.18594171       0.17826937 
O       6.54093758       6.61583161      -8.03903975       0.63312661       0.13307712       0.02674692 
O       4.07962590       1.19416897      -5.27297229      -0.24643592      -0.08276245       0.27705765 
O       3.91004786       0.65149529     -10.34156551       0.37923290      -1.14873016      -0.30375695 
O       9.12956653       1.41427908      -5.15827682      -0.27436503       0.02188853       0.14116396 
O       9.12002221       0.46341603     -10.35885503      -0.09109195       0.78339646       0.06806035 
O       4.07776115       6.50335907      -5.18150516      -1.28470030      -0.02056207      -0.59900257 
O       3.94439756       7.50838233      -0.01319230      -0.18836036      -0.50608084       0.30319032 
O       9.09461160       6.66095432      -5.13194881       1.10324349      -0.42117902       0.39578378 
O       9.08004753       5.67622230     -10.30741750       0.98549147       0.00733146       0.18555534 
O       4.01987214       1.75062071      -2.26646758      -0.21951100      -0.06059394      -1.09556573 
O       3.90391406       1.05480811      -7.82951098      -0.18655404      -1.50841034       0.14635620 
O       9.01044689       1.89408702      -2.55159889       0.10355501      -0.64653691       0.61143755 
O       8.98134783       0.99907649      -7.78256643       1.43872833      -0.23392841      -0.09919298 
O       3.77750760       7.06592870      -2.63349558      -0.02124534      -1.17797889       1.59339644 
O       3.85631383       6.00869978      -7.85417475       0.04007990       0.57370770       0.28340061 
O       8.87257578       7.08163134      -2.41166043       1.03250817       0.00512328      -0.86058080 
O       9.08205628       6.14132498      -7.67642022      -0.11781053      -0.67733890      -1.13094007 
O       1.20177872       2.77718488      -0.02337861       0.89750849       0.49109239      -0.62422750 
O       1.18383738       1.81184181      -5.40882309      -0.30623487      -0.29259443       0.20997071 
O       6.48138165       2.83376071      -0.19196623      -0.27753947       0.30085533       1.10273958 
O       6.46372210       1.93575863      -5.37639560       0.25887368       0.56531194       0.07587107 
O       1.25897417       6.15561168     -10.48789389      -0.77488001      -0.38572959      -1.35909818 
O       1.32704744       7.13229414      -5.40032570       0.57635076       0.35754567       0.35017630 
O       6.50200441       8.04266839      -0.19882942      -0.38163332      -0.25014138       0.68887283 
O       6.54250807       7.06933830      -5.40910219       0.36927879      -0.05182200      -0.00976939 
O       3.44938063       4.68549872      -0.84691166      -0.02132214       0.54048622       0.16307507 
O       3.35846337       3.54639597      -6.31307519      -0.09299695       0.73651964       0.40223426 
O       8.77845415       4.74509565      -0.77372269      -0.34481535      -0.48117279       0.54871367 
O       8.65700147       3.68441756      -5.99249737       0.27707960       1.14204464      -1.14295420 
O       3.47315321       9.80165211      -0.95925070      -0.78544614      -0.33964067       1.07797107 
O       3.67877341       8.90906892      -5.91124962      -1.10271223      -0.10174831      -0.16191973 
O       8.66828616       9.82746630      -0.80755536       0.16460668      -0.13089291      -0.11646172 
O       8.72445537       9.01539623      -6.00837887       0.13315903      -0.67924217      -0.83718914 
O       0.95583846      -0.13399235      -1.76837412       0.57768011       1.48847429      -0.45074071 
O       0.97529730      -0.89629740      -7.07748396      -0.12136266      -0.34037505      -0.04354407 
O       5.97086095       0.15950806      -1.68652395       0.09686301      -1.04480358      -0.74944737 
O       6.07906216      -0.91247405      -7.09921902       0.44979116       0.71245861      -0.23767424 
O       0.97265131       5.01712275      -1.87569556      -0.19110790       1.43078667      -0.28745749 
O       0.86214875       4.26828004      -7.04808432       0.24643423       0.75490826      -0.07946795 
O       5.97587229       5.31302401      -1.80094735       0.87499060      -0.02213765       0.52654981 
O       5.98561579       4.38936131      -7.02798379       0.94216341      -0.20050944       0.56985681 
O       1.69155010      -0.45965283      -4.31428274       0.51556710      -0.21353562      -0.75655071 
O       1.70994633      -1.34331255      -9.77471516      -0.26295848       0.58049441       0.26392523 
O       6.92228198      -0.27518049      -4.40948399       0.13913461      -0.77603677       0.01270414 
O       6.94117423      -1.28832690      -9.71960599      -0.52222680       0.31027608       0.65261717 
O       1.48271775       5.78870663      -4.74801413      -0.57548176       0.00194999       0.67550922 
O       1.77595089       3.82970642      -9.72157296      -1.18449335       1.10328656       0.26206766 
O       7.13403691       4.78355009      -4.40574315      -1.41166015       0.96113853       0.37515270 
O       6.90293140       3.84855555      -9.66818683       0.16333235      -0.57789248       0.69873675 
O       4.39198279       4.23106687      -3.42421851       0.19374257      -0.03179653      -0.32928540 
O       4.39140581       3.32663594      -8.66503885       0.01810815       0.09980696      -0.75321386 
O       9.50130209       4.09881362      -3.36301343       0.73022799       1.51791021      -0.49723837 
O       9.49199882       3.28424325      -8.59651665       0.04371169       0.77130159      -0.96162732 
O       4.30257212       9.32677298      -3.43372595       0.15105751       0.82750933      -0.00539172 
O       4.27557127       8.33585099      -8.71627246       0.87907741       1.33769194       0.07256168 
O       9.56148403       9.36925034      -3.39153386      -0.71298972      -0.58083331      -0.18643699 
O       9.59429710       8.46239524      -8.71076438      -0.64428326      -0.46560765       0.03358168 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014835264802535808 0.0006692201634203249 0.0022522343873662394 0.0006692201634203249 -0.009294608057983217 -0.001203899566975881 0.0022522343873662394 -0.001203899566975881 -0.015696890332504345" pbc="T T T" energy=-946.22320191 free_energy=-946.25084638 config_type=crystal 
Hf       2.74928608       2.07094592      -9.37757411       0.30848660       0.16575798      -1.03617610 
Hf       8.02390178       2.94969387      -4.11381765      -0.30895959       0.75244332      -0.20662912 
Hf       8.00920305       1.99412454      -9.40667606      -0.00736391       1.94652031      -0.23307626 
Hf       2.86528645       8.23812426      -4.11478832       0.65120171      -0.78705406      -0.38166716 
Hf       2.79085599       7.36287179      -9.44287157       0.27039922      -0.89250952       0.12238132 
Hf       8.03203489       8.31014269      -4.12478761      -0.43459541      -1.50536223       0.09694292 
Hf       8.02050156       7.24505551      -9.29448193       0.32772173       0.36090785      -1.28175574 
Hf       0.22317429       0.79561232      -3.73886350       1.47647018       1.62643701      -0.23141226 
Hf       0.22979239      -0.08624092      -8.91046692       0.26963666      -1.06837576      -0.22599815 
Hf       5.32082498       0.90594730      -3.80265277       0.38324737      -0.92806539       1.08237069 
Hf       5.37815260      -0.14108945      -9.03778568       0.14163332      -0.10101763       0.63459997 
Hf       0.01272645       5.92681893      -3.45874139      -0.42267210      -0.28981286      -0.11924763 
Hf       0.16812723       5.00800746      -9.04921724       0.39181452      -0.08109874       1.38947811 
Hf       5.40794022       5.85441957      -3.69074730      -0.37868084       0.49791163      -0.13453841 
Hf       5.39735303       5.05430112      -9.03910833      -0.22011837      -0.69261786       0.45295787 
Hf       2.43740372       1.17733954      -1.28592359      -0.73168729       0.93334966       1.02304014 
Hf       2.36119797       0.40644829      -6.24922701       0.68683038      -0.04984891      -0.44627704 
Hf       7.50763358       1.22711928      -1.11366096      -0.39106363      -0.87143463       0.76308355 
Hf       7.58774826       0.41653572      -6.33648729       0.48937925      -0.24718155       0.13174718 
Hf       2.45918510       6.44990435      -1.10437456      -0.80124227      -0.87661090      -0.22477361 
Hf       2.58916966       5.36699710      -6.58464888      -0.78817408      -0.23591535       0.69691196 
Hf       7.53383115       6.36670889      -1.06177946       0.36131716      -0.58884185       0.08053315 
Hf       7.46938026       5.49309367      -6.33919329       1.20944166      -0.87462234       0.76823748 
Hf       4.89329166       3.36864763      -1.61956707      -0.04457864       1.10566205       0.67888177 
Hf       5.02567857       2.51988612      -6.75181672      -1.24444813      -0.13899236      -0.95130290 
Hf      10.20195521       3.32647432      -1.50230137       0.12543260       0.67879270       0.07083445 
Hf      10.20088013       2.61169407      -6.70788227      -0.13163063      -0.22493110      -0.28118260 
Hf       5.02121604       8.54203280      -1.57049553       0.05625501       1.19733495      -0.33055738 
Hf       5.09096734       7.77578699      -6.75514887      -1.32156308      -0.33377629       0.61762474 
Hf      10.21945787       8.69331519      -1.46791500      -0.80454604      -0.83205887      -0.87412679 
Hf      10.06761628       7.72619561      -6.71544081       0.97601709      -0.40597292      -0.61120459 
O       1.17544587       2.30881005      -2.60299422       0.28999367      -1.00347412      -0.14004973 
O       1.22110570       1.44875947      -8.00612525       1.14385246       0.35481284       0.36162421 
O       6.53834011       2.44689327      -2.62651637      -0.59626064       0.21175288      -1.42980791 
O       6.54702172       1.43233751      -8.01923576      -0.20317731       0.01381669       0.39227261 
O       1.27199820       7.61017118      -2.87041083       0.21043044      -0.65931506       0.91565342 
O       1.36666117       6.61933672      -8.08672081      -0.39675356      -0.54789813      -0.16950641 
O       6.59034405       7.44758395      -2.78474874      -0.28234812       0.31208121       0.76825809 
O       6.49925763       6.64836124      -7.97862842       0.50000293      -0.38696711       0.07914492 
O       4.04213189       1.29674573      -5.28970970      -0.19394953      -0.15757765      -0.70736821 
O       3.87034416       0.43372476     -10.46138275       0.35084235       0.61713220       0.20618575 
O       9.14551657       1.50096214      -5.11582621      -0.92855915      -0.48533450      -0.08434745 
O       9.16319534       0.49425534     -10.29833775      -0.10716481       0.03116731      -0.60000451 
O       4.02995800       6.67834017      -5.19357569       0.19098973      -0.89041815       0.03637318 
O       3.96172254       5.62867422     -10.43453716      -0.53617142       0.48694995      -0.09742139 
O       9.13914056       6.51287813      -4.97806399      -0.18116797       1.36207543      -1.20672590 
O       9.03460630       5.67720394     -10.35857918       0.98260156       0.23914119       0.67196413 
O       3.96313095       1.73548935      -2.51769586      -0.25929788       0.27391840       0.33501636 
O       3.83790722       1.00935237      -7.86540744       0.05843728      -0.39188914       0.29257551 
O       8.90271408       1.81811773      -2.48762513       1.27905905      -0.23738657      -0.07197736 
O       9.09422010       1.04102166      -7.73491919      -0.63825450      -0.46084390       0.27486482 
O       3.92068960       6.98487780      -2.52425673      -0.58232649       0.55938774       0.02270834 
O       3.91404574       6.07005241      -7.87381410       0.38575077       1.02596826      -0.04765499 
O       9.07657343       7.00747174      -2.36756806      -0.14753275       1.09968492      -0.27941792 
O       9.09426124       6.10633483      -7.66683728      -0.75612290       0.37742898      -0.23832958 
O       1.31060604       2.83802992      -0.13804132      -0.20601319      -0.21530287       0.58389764 
O       1.19108856       1.81553427      -5.34630544      -0.42378743       0.25831367      -0.89880892 
O       6.41197510       2.72529545      -0.06458479       0.20037477       0.06022689       0.03584695 
O       6.46684438       1.98399955      -5.34025185       0.71429160      -0.04636495      -0.14972346 
O       1.33694264       7.98083640      -0.19615040      -1.00545908      -0.21916075       0.40993505 
O       1.47741080       7.17673785      -5.49960873      -0.14855871      -0.78122682       0.03756018 
O       6.42177637       7.92309809      -0.15971127       0.42228076       0.22875134       0.64103747 
O       6.51097571       7.12604859      -5.28379220       0.41946658      -0.44044775      -1.21187040 
O       3.49230304       4.76806575      -0.73358168       0.47020613      -1.30528378       0.24197287 
O       3.66178839       3.78933070      -6.12061721      -0.84051792       0.48507131       0.20853258 
O       8.58431668       4.57000973      -0.87539009       0.33344314      -0.12316463       0.43544828 
O       8.77009723       3.84485826      -6.01948293      -1.33782189       0.26700272       0.34558030 
O       3.44656164       9.69044092      -0.90524115       0.21052720       0.15423103       0.55260069 
O       3.58283628       8.95213975      -5.98615964      -0.21512730       0.51677373      -0.30061807 
O       8.70128782       9.87012027      -0.68505974       1.09278505      -0.80241232      -0.70551943 
O       8.70931162       8.98547582      -6.01076083      -0.32386127      -0.24893832       0.24835980 
O       0.97936084      -0.10451741      -1.95934469       0.36753594       0.90216065       0.74278371 
O       0.93231057      -0.97421896      -7.01392067       0.22290102       0.50375897      -0.24050164 
O       6.08163698       0.09056579      -1.93044781       0.10101129      -1.10718810       0.82539715 
O       6.18821917      -0.84475623      -7.05331424      -0.35708131       0.04186897      -0.39913677 
O       0.83580624       5.24338472      -1.79034722       0.55151766      -0.91508185       0.87483961 
O       0.88349177       4.26616882      -7.07238362       1.07122605       0.65540621      -0.27712284 
O       6.06834841       5.16253725      -1.70472115      -0.52544803      -0.31711236      -0.88621952 
O       6.00896860       4.31479677      -7.14404717       1.29828754       0.13605708       0.62156797 
O       1.81473006      -0.35340885      -4.42321130      -0.44253510      -0.28937968       0.15215552 
O       1.70783242      -1.28928656      -9.76876573      -0.49790760       0.20645735       0.00918916 
O       6.98932754      -0.31985880      -4.38951986      -0.63511025       0.57292534      -0.50195484 
O       6.84479084      -1.50810441      -9.75895945      -1.34579625       1.83305114       0.49368555 
O       1.61257316       5.82100358      -4.77783842      -0.27559071       0.37558558      -0.28038620 
O       1.63046224       3.78416988      -9.67447269       0.03789062       0.52836689      -0.28075044 
O       6.84179667       4.66390688      -4.46941902       0.30175840      -0.04279483      -0.14710604 
O       6.84690735       3.79356044      -9.68810969       0.41170403      -0.41247108       0.01438602 
O       4.22049149       4.28414729      -3.27076684       0.26227896       0.25674378      -0.41163023 
O       4.19562388       3.35587578      -8.63863460       0.35414761       0.22128260      -0.33025262 
O       9.62522080       3.97772245      -3.46396963       0.41256508       1.72196647       0.15333991 
O       9.37514125       3.37126801      -8.64959805       0.27148968      -0.16216662      -0.34290958 
O       4.31226211       9.39564000      -3.36939306       0.40043744      -0.09727083      -0.57458342 
O       4.30210871       8.45131548      -8.59183297      -0.10757105       0.32885208      -0.69372202 
O       9.61381859       9.37942500      -3.52693302      -0.92949442      -1.19857679       1.08969439 
O       9.39631387       8.54687634      -8.51281502      -0.04077231      -0.53619236      -0.37139895 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012261406860493866 -0.0001463946152721192 -0.00016900629835978694 -0.0001463946152721192 -0.02104997129040619 -0.0012302524917732218 -0.00016900629835978694 -0.0012302524917732218 -0.01817915821007092" pbc="T T T" energy=-946.79556841 free_energy=-946.82682119 config_type=crystal 
Hf       2.81356980       2.06441282      -9.38645445      -1.06443097       1.23513286      -0.39387742 
Hf       8.01376854       2.98640435      -4.13671869      -0.09655454      -0.20577623      -0.63972160 
Hf       7.98022607       2.07581876      -9.43704060      -0.17964937       0.08274506       0.52206809 
Hf       2.93389326       8.14043207      -4.16191296      -0.30432320      -0.53266849       1.63553217 
Hf       2.79839290       7.25266381      -9.42365172       0.13557501       0.85279451      -0.85514348 
Hf       7.96903926       8.31104061      -4.16086521       1.15868718      -1.30710776       0.10602556 
Hf       8.02269194       7.28023383      -9.42143526      -0.89534477       0.39505844      -0.11366229 
Hf       0.20952113       0.92638076      -3.74391375       0.97297153      -1.79176261      -0.27122466 
Hf       0.27799775      -0.08071036      -8.95219173      -0.25658339      -0.17714651      -0.34871072 
Hf       5.38578271       0.91774717      -3.75055747      -0.37023656      -0.35855144       0.30355503 
Hf       5.28829514      -0.12401572      -8.96846333       1.27618772      -0.91599785      -0.34993758 
Hf      10.34964152       5.94911339      -3.42880044      -0.31540691       0.95787152      -0.04940803 
Hf       0.17397011       5.01122031      -8.98160629      -0.05344722      -0.57803230      -0.58091111 
Hf       5.46918104       5.80351299      -3.72526272      -0.37079233       0.95226475       0.61262566 
Hf       5.42262981       5.08233271      -8.94032135      -0.20444608      -0.99980328      -0.40479780 
Hf       2.39969121       1.26392191      -1.21418621      -0.54731775      -0.20363529       0.62597003 
Hf       2.41080321       0.35164108      -6.28706335       0.04648486      -0.19217426       0.79622979 
Hf       7.57073738       1.24593130      -1.11708835      -0.72075932       0.04608921       0.15477159 
Hf       7.52401471       0.39301847      -6.40392300       0.36970327      -0.10548351       0.26293610 
Hf       2.36296577       6.36619967      -1.06925136       0.00607335       0.23100844      -0.82829748 
Hf       2.57987845       5.37837284      -6.47857102       0.70125255      -0.58064416      -0.20853926 
Hf       7.53832735       6.29009192      -1.04573446      -0.21084000       1.07225725      -0.11771515 
Hf       7.56197067       5.45632693      -6.37486399       0.29377572      -0.43059775       0.12910162 
Hf       4.87262838       3.48938333      -1.53801417       0.69258419      -0.56173604      -0.83891071 
Hf       4.86391612       2.50374933      -6.75015038       0.99894258       0.81030318       0.33077900 
Hf      10.23595101       3.36753485      -1.48391642       0.24488432       0.25416788      -0.49979737 
Hf      10.27566916       2.60728128      -6.77126318      -1.53089751      -0.86391067       0.33680861 
Hf       5.04271024       8.56361824      -1.53329941      -0.41964970       0.38454547      -0.72299029 
Hf       5.02116824       7.70274679      -6.69754571       0.83386524      -1.09290227      -1.20559243 
Hf      10.15044439       8.61640816      -1.48077444       0.60550536       0.69966914      -0.92271251 
Hf      10.17007530       7.74372008      -6.84703687      -0.84135611       0.41315767       0.76821145 
O       1.16843948       2.33927332      -2.67879185       0.61382440      -0.22885724       0.44993753 
O       1.33962125       1.49892706      -8.02182741      -0.67132413      -0.20404295       0.58313908 
O       6.49004789       2.48020383      -2.74757656       0.11882993      -0.53853263      -0.17512431 
O       6.39547386       1.41544803      -8.05795824       0.49709505      -0.01075856       0.49523076 
O       1.34256628       7.51874844      -2.63811626       0.01804984      -0.43058638      -0.55975393 
O       1.33281935       6.54872034      -8.12898861      -0.01727500       0.34396802       1.12416006 
O       6.55236108       7.44190888      -2.69486814      -0.03976643       0.65933768      -0.47270151 
O       6.51275286       6.61396705      -8.02456113       0.28067897      -0.07644236       0.27476481 
O       4.09866185       1.21848554      -5.25349696      -0.54904334      -0.09247859      -0.90328479 
O       3.81202115       0.56971378     -10.32888269       1.58699698      -0.89746752      -0.49184543 
O       9.13859268       1.48256662      -5.15973188      -0.11758956      -0.07642674       0.41298251 
O       9.27083880       0.53593034     -10.42578471      -1.27825137      -0.08649105       0.77795407 
O       4.02418245       6.53241519      -5.08511336      -0.63260443      -0.35645366      -0.86047958 
O       3.80992844       5.64907597     -10.41485171       0.81187356       0.32462486       0.56771085 
O       9.30102988       6.81271608      -5.13079353      -0.40839513      -0.89164525       0.18923083 
O       9.02997025       5.68136934     -10.41167466       0.61514116      -0.16374873       0.71684770 
O       3.99035778       1.72372016      -2.40178600       0.18259520       0.61417926       0.22125045 
O       3.77713615       0.99734889      -7.78531076       0.54152387      -0.75908096       0.01536534 
O       8.96394356       1.90402781      -2.50555656       0.70471255      -0.28238957      -0.40920536 
O       8.99785572       0.99547289      -7.73088171       0.38291295       0.03681205      -0.64399834 
O       3.96570836       7.01991128      -2.50004732      -0.76721742       0.15637190       0.17170666 
O       3.96027091       6.17450984      -7.82273789      -1.01167516      -0.75655217       0.74032528 
O       8.99226553       7.15891574      -2.51643044      -0.05307203      -1.10383776       0.75338410 
O       8.96891200       6.30619381      -7.77689517       0.67940049      -1.59231570       0.37035299 
O       1.31669548       2.81911558      -0.07217262      -0.29334688       0.02615792      -0.51892073 
O       1.25634896       1.77597267      -5.42994260      -0.67579914       0.25265912      -0.05624470 
O       6.50035329       2.81089259      -0.10690961      -0.69515968      -0.25930532      -0.30952813 
O       6.49361269       2.03242015      -5.42610610       0.05181959      -0.41030144       0.31682221 
O       1.16354316       7.91217208      -0.10818553       0.36359100       0.04286921       0.29583740 
O       1.51445345       7.20301255      -5.45584229      -0.82117384      -0.88505162      -0.97689695 
O       6.40916858       7.91906768      -0.06285272      -0.20750635       0.15107750      -0.40946530 
O       6.44780926       6.98903978      -5.32799441       1.13439013       0.38081781      -0.33869132 
O       3.43562346       4.64269574      -0.77858877       0.24314771       0.45750321       0.36386654 
O       3.56479031       3.79640427      -5.94487984      -0.06527061       0.39429419      -0.46883506 
O       8.70256084       4.66385703      -0.80111546       0.18289023      -0.14518151       0.16235255 
O       8.71714912       3.76281102      -6.03004652       0.34880347       0.77876449      -0.06308179 
O       3.54530258       9.83398795      -0.85071865      -0.03057767      -0.50280166       0.55489581 
O       3.60496418       8.81959363      -6.06002695      -1.74944759       1.56944293       0.60097271 
O       8.71863597       9.84726525      -0.75992923       0.16418512       0.11279772      -0.05088551 
O       8.68118187       9.01267674      -6.02734892       0.16221669      -0.13103206      -0.56643201 
O       0.91948936       0.00571344      -1.85703140       0.15035989      -0.05652502       0.12103593 
O       0.96125118      -0.92990304      -7.08887815       0.32946469       0.39311603      -0.15052203 
O       6.23823348      -0.02873675      -1.91948615      -0.72474219      -0.30961341      -0.02130706 
O       6.16859055      -0.99470439      -7.18179342       0.42615406       1.33080214       0.49290542 
O       0.97308313       5.05105445      -1.91202454       0.07571009       0.47961301       0.45208242 
O       0.94937424       4.29774825      -7.10238684       0.07949246      -0.14079248      -0.09466951 
O       6.10253155       5.17114496      -1.83713636      -0.34015303      -0.96899083       0.49230530 
O       6.17501445       4.23131864      -7.18831417      -0.28282131       0.12810017       0.80337899 
O       1.74148690      -0.51007368      -4.46619618      -0.56770232       0.55335542       0.08107566 
O       1.70142504      -1.26195064      -9.74608521       0.44144527      -1.00623997       0.00725099 
O       6.98218327      -0.30051135      -4.38889129      -0.91178148       0.76324490      -0.85888371 
O       6.82993771      -1.37145277      -9.83335084      -0.63870969       0.46091892       0.90558038 
O       1.39897031       5.81391287      -4.85657674       0.45570043       0.39219898      -0.11214918 
O       1.59254275       3.75984291      -9.78236641      -0.48683089       0.45271088       0.52550065 
O       7.05028272       4.73354501      -4.43254212      -0.69087908       0.48593904      -0.22251854 
O       6.83544249       3.79323317      -9.70371083       0.16991060      -0.39935259      -0.32317100 
O       4.20965919       4.30879621      -3.27376865       0.28389906      -0.22957910      -0.22993770 
O       4.17770197       3.32671086      -8.59413743       0.47215330       0.98534303      -0.05968005 
O       9.53250196       4.18115246      -3.39852358      -0.30266065      -0.28978509      -0.16035594 
O       9.31630174       3.34941982      -8.56990523       1.22794134       0.78738249      -0.44054055 
O       4.28461592       9.37831234      -3.55155795       1.70638373       0.75798871       1.38698954 
O       4.25268841       8.40380434      -8.56020195      -0.17399685       1.11404816      -1.23849087 
O       9.54608052       9.36140846      -3.37672877      -0.27338598       0.76824545      -0.49080891 
O       9.49779599       8.50300627      -8.67512330       0.01500148       0.41515009      -0.12746001 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01713458143977431 0.0014632785858711241 0.0056886263609620645 0.0014632785858711241 -0.01394202119791661 -0.00228713968386974 0.0056886263609620645 -0.00228713968386974 -0.005642038694514448" pbc="T T T" energy=-946.80221324 free_energy=-946.83795515 config_type=crystal 
Hf       2.85023788       2.16332201      -9.37800190      -0.47870268      -0.99395465      -0.09798991 
Hf       8.01339719       2.93033325      -4.22377642      -1.17348432       1.06057047       1.74248180 
Hf       8.06361557       2.09207062      -9.35942374      -0.71785043       0.63547936      -1.05415006 
Hf       2.81178329       8.15126195      -4.08637280       0.97961678      -0.88019403      -1.34449594 
Hf       2.81237544       7.23520064      -9.45890114      -0.01871245       0.04494170       0.72788609 
Hf       7.94186905       8.16754352      -4.20870892      -0.22834001       0.80184764       0.00690948 
Hf       8.02743812       7.29491038      -9.46040146      -0.19235968      -0.54378813      -0.36475657 
Hf       0.30717037       0.76293922      -3.67479670      -0.50152564       1.01323873      -0.87765995 
Hf       0.28294831      -0.06046460      -8.99810197       0.00377607      -0.04472377       0.57181093 
Hf       5.30579043       0.81431568      -3.73096748       0.15587300       0.70474652       0.42411962 
Hf       5.44589296      -0.10334938      -8.96775339      -0.49572407       0.16771204       0.44724317 
Hf      10.22414047       5.95706308      -3.52087125       1.39639361      -0.26020945       0.39905576 
Hf       0.28181743       5.00434090      -8.94834033      -0.74963473      -0.09437769       0.27707940 
Hf       5.45722721       5.94540937      -3.73049411      -0.07944476       0.23308917      -0.40348093 
Hf       5.42627379       4.97916075      -8.92269664       0.14075769       0.74060787      -0.34942938 
Hf       2.45024009       1.22317338      -1.09927422      -0.53788894       1.53759098       0.18678103 
Hf       2.38793708       0.39666993      -6.22105772       0.99147075      -0.66219365      -1.56738308 
Hf       7.50567501       1.32898903      -1.10195953       0.15995836      -0.87455987       0.30422677 
Hf       7.55703112       0.34843898      -6.34608798      -0.31343941      -0.18557286      -0.18764996 
Hf       2.38011516       6.41958031      -1.12927596      -0.12005757      -0.58482372      -0.08027076 
Hf       2.51070288       5.34800278      -6.42166163       0.13992600      -0.35040163      -0.60713021 
Hf       7.52135553       6.48140605      -1.02654790       0.06700711      -1.27811974       0.22883179 
Hf       7.62854763       5.49242973      -6.38385470      -0.75242691      -0.44633908       0.42546466 
Hf       4.95836805       3.45090531      -1.61394254      -0.80203118       0.73379393      -0.01812273 
Hf       5.00917390       2.56778854      -6.65172074      -1.55318277      -0.60547896      -0.96242652 
Hf      10.15390758       3.41102426      -1.49793334       0.60393130       0.18000387       0.04179154 
Hf      10.14181286       2.43751022      -6.72358915       0.63605354       0.89562159      -0.92531412 
Hf       4.94604672       8.60411475      -1.56267165       1.09636898       0.30607328       0.70963830 
Hf       4.99382701       7.68611368      -6.85818618      -0.06664635      -0.17189022       0.94534588 
Hf      10.23358930       8.68211249      -1.56980512      -1.68941957      -1.14051013      -0.00305842 
Hf      10.06755477       7.76934822      -6.89124328       1.20104535       0.02981156      -0.27782937 
O       1.18996308       2.30565335      -2.51473417      -0.04088842      -0.90590108      -0.43752166 
O       1.36806417       1.49003675      -7.98200940       0.02562102      -0.34482117       0.41144207 
O       6.44266014       2.49200553      -2.76047989       0.42148619      -0.57371572      -0.27979663 
O       6.57069216       1.53040735      -7.95308638      -0.09123041      -0.70688666       0.20738229 
O       1.31944839       7.53301721      -2.76437256      -0.68708647      -0.03603542       0.27937920 
O       1.40957381       6.55064114      -7.91348142      -0.28912414      -0.09845627      -1.07872630 
O       6.49122157       7.55029404      -2.70760304      -0.03016883       0.28096715      -0.19868795 
O       6.56581236       6.63164140      -8.00589718       0.01162368      -0.61538980      -0.03651719 
O       3.99805127       1.29538240      -5.22754844       0.14661949      -0.67389649       0.06244294 
O       3.92638972       0.52356413     -10.28698420      -0.18952409       0.10347824      -0.95534605 
O       9.09855306       1.41798782      -5.08821429      -0.06916351      -0.60363572      -0.55094597 
O       9.14039124       0.55863334     -10.32632580       0.25480959      -0.33497211      -0.94276138 
O       3.97795426       6.61529001      -5.21095699       0.58340389      -0.69258819       0.78182700 
O       3.96247740       5.68797287     -10.41936319      -0.16594639      -0.24692931      -0.08546832 
O       9.25665449       6.66180010      -5.17766877      -1.09618449       0.02474110      -0.64359984 
O       9.16981645       5.71121490     -10.43367212       0.21626265      -0.34536793       0.28855856 
O       3.97133263       1.78833458      -2.37347390      -0.52065508      -0.26437333      -0.01471382 
O       3.96666188       1.02836538      -7.81547180      -0.49445295      -0.39446365       0.91036641 
O       8.88881009       1.89597807      -2.47864713       1.16938984       0.18819253      -0.59787499 
O       9.03586737       0.89157369      -7.84658797       0.26832934       0.38880706       1.49708949 
O       3.89778035       7.04723807      -2.56571073      -0.82485590      -0.34129436       0.85389435 
O       3.98200138       6.07248543      -7.72458903      -0.77684707      -0.36941747      -0.84323758 
O       8.84685460       7.01890995      -2.52873208       1.02089054       0.82645855      -0.17343825 
O       9.01535589       6.17817582      -7.83166045       0.45651045      -0.57000127       0.37140525 
O       1.28423683       2.92678771      -0.03377324      -0.39814687      -0.71457796      -0.16717082 
O       1.13144712       1.71169352      -5.41311478      -0.36034704       0.52389148       0.68133622 
O       6.42106776       2.83695700      -0.08942351      -0.08200010      -0.14173840       0.05452051 
O       6.46876503       1.91019920      -5.32373527       0.11760267       0.19858567       0.06446133 
O       1.28615467       8.06089948      -0.20145845       0.15982225      -0.67876376       0.86216328 
O       1.42527095       6.88269809      -5.35878927      -0.11185439       0.76224582       0.10371359 
O       6.43575413       7.99447295      -0.07590400      -0.04343573       0.13315735      -0.28376927 
O       6.52785588       7.01936333      -5.42201119      -0.02778498       0.37736454       0.22256407 
O       3.32760170       4.64572519      -0.83306286       0.98470440      -0.22981929      -0.38477730 
O       3.42940923       3.66352283      -6.01733388       0.47688893       0.26491730      -0.54154652 
O       8.61276697       4.61059970      -0.83255400      -0.21522328       0.64472539       0.18301792 
O       8.63671660       3.71678352      -6.03659489       0.39001720       0.07802139      -0.81027175 
O       3.47364779       9.77462002      -0.82603902      -0.31809391       0.10076688       0.12009375 
O       3.44902112       8.75997812      -6.06730196      -0.47570442       1.45674533       0.01984948 
O       8.64731501       9.79950793      -0.92902792      -0.10615328       0.37474838       0.37906066 
O       8.65647115       8.94870894      -6.13762637      -0.24380593      -0.39073308       0.40248594 
O       0.99638970      -0.09486497      -1.91597108       0.65227034       0.93796658       0.47636495 
O       0.85167887      -0.90626518      -7.03640841       0.38679055       0.42172226      -0.23232586 
O       6.02711141       0.15062171      -1.75569015      -0.25888766      -0.97032609      -0.31235641 
O       6.17236025      -0.97282327      -7.05021972      -0.37978621       1.30561082      -0.77192645 
O       0.73723486       5.26865330      -1.80317957       0.43103320      -0.34232137       0.84382845 
O       0.81928879       4.19353479      -7.04235426       0.59744967       0.60467762       0.28862975 
O       6.09671080       5.17603551      -1.68071691      -0.52738076       0.40192658      -0.81833852 
O       6.09172938       4.25108215      -7.00200755       0.53297230       0.92393632      -0.15342416 
O       1.71187300      -0.49281944      -4.46480978      -0.09335374       0.16471585       0.36018032 
O       1.70835869      -1.31925481      -9.64337625       0.49355473      -0.08080821      -1.03316257 
O       6.84115653      -0.41669674      -4.46464430       0.12132081      -0.16978932       0.09272819 
O       7.03003162      -1.26363279      -9.63364022      -0.75620783       0.59505530      -0.28002904 
O       1.60691128       5.61174011      -4.56910160      -0.07812074      -0.28970020       0.08288530 
O       1.88105963       4.00793936      -9.60958012      -0.59798974       0.02215403      -0.37922425 
O       7.03823071       4.82064711      -4.35048761       0.21263355      -0.28828086      -0.64271180 
O       6.93045872       3.86798006      -9.67715706       0.31099245      -0.31794045       0.59576000 
O       4.39108330       4.35304943      -3.51211575      -0.06980238      -0.99029371       1.15847395 
O       4.29982856       3.31884160      -8.66884573       0.87833083       0.78864289       0.51769153 
O       9.51225200       4.16512684      -3.50812763       0.27988306      -0.74315657       0.48450660 
O       9.58139931       3.22972562      -8.70265415       0.05180747       0.65977896      -0.05352873 
O       4.28525815       9.34882807      -3.40334124       0.11069062       0.37811513      -0.12439321 
O       4.29801691       8.40517735      -8.73614556       0.72541755       0.64045013       0.18178187 
O       9.47025111       9.35155434      -3.57422083       0.63107632      -0.15749570       0.98299905 
O       9.56787343       8.43657729      -8.81146573       0.25513059       0.08576149       0.70663669 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014258615681580166 -0.004459850423002752 -0.0007628589283681552 -0.004459850423002752 -0.028911419058699577 -0.0007128302305583113 -0.0007628589283681552 -0.0007128302305583113 -0.024003276817756446" pbc="T T T" energy=-946.42481353 free_energy=-946.45395714 config_type=crystal 
Hf       2.84298763       2.13094443      -9.43011777      -0.60626633       0.21140505      -0.49060782 
Hf       8.01358879       2.90572537      -4.11813801      -1.21947130       1.35608094      -0.47382226 
Hf       8.09760783       2.07280711      -9.39089546      -0.26134544       0.76120460      -0.34209214 
Hf       2.88612139       8.15684127      -4.12727825      -0.60154236       0.24872594      -0.08030800 
Hf       2.83302947       7.18224984      -9.44801434       0.01667913       0.39341916      -0.14094500 
Hf       7.90543870       8.28675140      -4.18206589      -1.00398553      -0.22062902      -0.96373095 
Hf       7.99192731       7.21935790      -9.36241851      -0.60581806      -0.33143846      -0.71538440 
Hf       0.18560828       0.83936628      -3.68883608       1.21824913      -0.69747138      -0.86049724 
Hf       0.28108761      -0.11253755      -8.90621219      -0.60214126      -0.14577762      -0.77810017 
Hf       5.29652363       0.89351075      -3.80313275      -0.55803212       0.64674909       0.59602869 
Hf       5.44512958      -0.09440941      -8.96527420      -0.50904660      -0.44031242      -0.46556260 
Hf      10.25229910       5.92530203      -3.40961555       1.84420890       0.70157430      -1.23093952 
Hf       0.20307572       5.08180302      -8.96410507       0.95828226      -1.14924796      -0.63234545 
Hf       5.43071201       5.95866677      -3.72819385       0.97442322       0.73355962      -0.41208216 
Hf       5.42186249       4.96012654      -8.94455518       0.49382299       0.28155592      -1.08229358 
Hf       2.40475169       1.20129697      -1.03678030       0.53243632       1.15774772      -0.58424281 
Hf       2.39824789       0.42827647      -6.32365400      -0.93917560      -1.01237627       0.28380677 
Hf       7.51949307       1.19860342      -1.05822848       0.38568903       0.33241074      -0.13474643 
Hf       7.52422179       0.44010445      -6.41208300       0.08433711      -0.98030371       1.20099816 
Hf       2.39109095       6.38771623      -1.17834100      -0.00792796       0.31352006       0.51373260 
Hf       2.59087159       5.32294546      -6.44616569       0.45211151      -0.18352832      -0.85226625 
Hf       7.65129583       6.38186544      -1.03587189      -1.90929627      -0.71676376       0.63622950 
Hf       7.61544474       5.42168274      -6.33109083      -1.21364106       0.96134033       0.51889485 
Hf       4.97012363       3.47749420      -1.62428404      -0.04568064      -0.31082118       0.16326477 
Hf       4.88593191       2.50311644      -6.73119546       0.47331355       1.26982842      -0.33974601 
Hf      10.29093053       3.34473135      -1.54122294      -1.82905599       0.44030794       1.85435589 
Hf      10.20958044       2.52528504      -6.75235971      -0.58267855       1.26030675      -0.98424566 
Hf       5.02299247       8.67786717      -1.59176866      -0.20434726      -1.34367989       1.09323597 
Hf       4.90267057       7.71207346      -6.86441985       1.61221529       0.49171473       0.86189926 
Hf      10.14542702       8.72788381      -1.52296589       0.58770571      -0.97564305       0.36833843 
Hf      10.10844775       7.77164366      -6.82723885       0.17089821      -0.21797101       0.82586335 
O       1.10990025       2.29108694      -2.59630377       1.63424520      -0.80817275      -0.57576100 
O       1.30899160       1.43612339      -7.96577633       0.59450519       0.56843490      -0.16067620 
O       6.46488986       2.45607436      -2.83001424       0.17125349      -0.75326388       0.81111692 
O       6.60378598       1.39034727      -7.98758720      -0.89502874       1.25046565      -0.25781561 
O       1.28721157       7.52607375      -2.79124125      -0.25659663      -0.36101323       0.38007069 
O       1.27271399       6.58752676      -8.03986857       0.84539483       0.46735227      -0.12232526 
O       6.55430853       7.49949135      -2.71093907       0.18217216       0.88939977      -0.55476777 
O       6.52238113       6.49978037      -8.08899167       0.42924500       0.74965709       0.89090312 
O       4.02415305       1.22849082      -5.43685524       0.11366978      -0.50618758       1.46175270 
O       3.99398534       0.55834750     -10.34229750      -1.14111251       0.54230454      -1.20168277 
O       9.13298379       1.46564241      -5.12737874      -1.23380365      -0.37487941      -0.19823310 
O       9.13934120       0.53256680     -10.40460892       0.35274505      -0.61062182       0.17390329 
O       3.94311311       6.57200208      -5.12219597      -0.01716921      -0.05514069      -0.89239349 
O       3.98563009       5.67840887     -10.41805586      -0.49964428       0.06041986      -0.05815857 
O       9.13359422       6.68398590      -5.09208061       0.29621070       0.22205955       0.23744179 
O       9.17491445       5.67312940     -10.44331659      -0.13471443       0.58453540       1.08128278 
O       3.92919749       1.79595197      -2.43566729      -0.11242717       0.15847464       0.53985529 
O       3.79308546       0.94475188      -7.94060822       0.35179165       0.32806184       1.34429704 
O       8.97357038       1.82996109      -2.56267459      -0.25193324      -0.14985033       0.80248182 
O       9.06908005       1.04068144      -7.78283136       0.31996056      -0.55101736       0.45481510 
O       3.90568176       7.04393809      -2.55012199      -0.27718896       0.50534348       0.23352082 
O       3.95140332       6.11556936      -7.86573894      -1.36538168       0.09536955       0.88710221 
O       9.01829187       7.05567507      -2.40623625       0.13641306       0.56048565      -0.59213334 
O       9.07547465       6.12788799      -7.73400795      -0.20098665      -0.42872201       0.05753151 
O       1.27432490       1.06980511     -10.46613804       0.29680253      -0.63132695      -0.96862000 
O       1.07855034       1.79325561      -5.46551134       1.64914527      -0.71331590       1.51175927 
O       6.43822951       2.72522778      -0.10332208       0.55280891       0.45652850      -0.28639986 
O       6.40052251       2.03913633      -5.33894022       0.78766815      -0.16197861      -0.57403150 
O       1.29419343       7.87892005      -0.18902313      -0.19410434       1.01559528       0.40676635 
O       1.45176516       7.20373412      -5.49453495      -0.16789743       0.65506001      -0.46455562 
O       6.46637703       7.84018544      -0.13144443       0.23815656       0.80590321      -0.00234002 
O       6.36461344       7.10143238      -5.37679147       0.96318614      -0.06934279      -0.62308802 
O       3.64398140       4.83312977      -0.79653983       0.04909638      -1.24088010       0.79504723 
O       3.56931861       3.76975492      -5.87917002       0.28602607      -0.07242330      -0.24463388 
O       8.73199748       4.68138459      -0.64348425       0.70771162       0.11069980      -1.22674941 
O       8.70465396       3.82310256      -5.97438869       1.11451815      -1.00795294      -0.25385738 
O       3.49141966       9.82373750      -0.74925874       0.50426644      -0.46827180      -0.44591849 
O       3.48350631       8.85694967      -6.07335985      -0.30793965       0.71325058       0.04344169 
O       8.72959077       9.86798457      -0.66965160      -0.01882279      -0.07172242      -0.23711152 
O       8.64864663       9.01457698      -6.09953477       0.03311339      -0.24604729       0.71553201 
O       0.95956432      -0.01245506      -1.75215155      -0.52839170      -0.08736341      -0.75780396 
O       0.93563734      -0.87171659      -7.11993993      -0.34114874      -0.82691853       0.39009925 
O       6.17344541      -0.02143247      -1.93434804       0.43910931       0.71668941       0.19973827 
O       6.11362142      -0.84860752      -7.11709480      -0.51318277      -0.68406321       0.06371080 
O       0.98717299       5.04477934      -1.84120324      -0.35951576       0.54366971      -0.95493763 
O       1.10109967       4.19983231      -7.18744735      -0.64557926      -0.42441618       0.64721666 
O       6.24662114       5.16764110      -1.90858276      -0.13241273      -0.61179293       0.91630250 
O       6.08520355       4.30830051      -7.02446210      -0.18511898      -0.86341256       0.04838220 
O       1.61508449      -0.51651772      -4.41685424       0.11285040       0.75612397      -0.36146399 
O       1.69116088      -1.35896465      -9.68426385      -0.03768572       0.01886807      -0.02842466 
O       6.68490041      -0.34774882      -4.58537236       1.35526500      -0.88200070       0.11695174 
O       6.84762397      -1.39405496      -9.68491930       0.41007986       0.03514359      -0.59286373 
O       1.50001645       5.90966470      -4.84432634      -1.66687889      -1.14069097       1.42066745 
O       1.63804144       3.80898356      -9.83219074       0.27075089      -0.09932328       0.49079198 
O       7.00227758       4.79540871      -4.38404748       0.05215909      -0.22855791      -0.56286927 
O       6.89319216       3.75539127      -9.67094239      -0.11103875      -0.22794574       0.21749804 
O       4.40158342       4.37609292      -3.33534166      -1.12420811      -1.18112600      -0.12011512 
O       4.15991243       3.39222282      -8.49819820       0.05964093      -0.03096994      -0.43240324 
O       9.40024857       4.18953829      -3.30558458       0.28154393      -0.20396352      -0.00603318 
O       9.53974982       3.35922315      -8.60990815      -0.65255552      -0.08390948      -0.28100254 
O       4.26653805       9.44429338      -3.35271908      -0.43827148      -0.34132215      -0.66677029 
O       4.38767113       8.42450855      -8.78260445      -0.82284150      -0.28657159       0.54521324 
O       9.27322732       9.44478953      -3.32847690       1.02527333       0.32282925       0.20775750 
O       9.37900198       8.42128672      -8.56866228       0.86917725       1.47714849      -0.72289803 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011243824673340284 -0.0012983496969025303 0.0021202746350797333 -0.0012983496969025303 -0.024950783734467036 -0.0019667899650330487 0.0021202746350797333 -0.0019667899650330487 -0.01995887570999064" pbc="T T T" energy=-946.94189579 free_energy=-946.97483068 config_type=crystal 
Hf       2.75311252       2.09353426      -9.39291105       1.46301698       0.38576331       0.59348532 
Hf       8.03915442       3.00952673      -4.09288694      -0.96118972      -0.78014853      -0.61792339 
Hf       8.03214482       2.01579273      -9.39467777      -0.52376567       0.77416037       0.57094923 
Hf       2.83997040       8.14183561      -4.16259707      -0.47219428      -0.33065772       0.60457497 
Hf       2.83777555       7.29855044      -9.46564272      -0.04278325      -0.14648579       0.30796900 
Hf       7.91119898       8.23918168      -4.18578509       0.71907187       0.43587523      -0.07604949 
Hf       8.08162891       7.20116408      -9.41130850      -1.48910505       1.01993858       0.03862994 
Hf       0.28069070       0.80149748      -3.67013675      -0.30235074      -0.59369999      -0.59123552 
Hf       0.24314350      -0.07215831      -8.96538414      -0.37466915      -1.39059118       0.59183504 
Hf       5.27690354       0.89047794      -3.77342838      -0.02492112      -0.37981588      -0.38604027 
Hf       5.42249090      -0.04259991      -8.99119689       0.34223176       0.20811143      -0.23677034 
Hf      10.20666264       5.96317231      -3.46967144       1.82712382       0.98538195       0.31502715 
Hf       0.27338487       4.99353835      -8.97371342      -0.27131934      -0.48617955       0.90284682 
Hf       5.38086550       5.92074188      -3.77281672       0.43697458      -0.41471566       0.54834714 
Hf       5.41811824       4.99719214      -8.98238952      -0.54379154       0.47166710       0.41489288 
Hf       2.44277924       1.28762507      -1.17844275       0.31504271      -0.18208142       1.07061193 
Hf       2.35907492       0.41081641      -6.29851445      -0.06559635      -1.44052951      -0.52813642 
Hf       7.53971642       1.27911316      -1.13984501      -0.05614563      -0.83499195       0.75279605 
Hf       7.60838827       0.44622165      -6.21226159      -1.09921067       0.02134100      -2.30029509 
Hf       2.48125388       6.35790201      -1.11008520      -0.74520966       0.27813526      -0.15702700 
Hf       2.53445884       5.44291077      -6.50877554      -0.79772047      -0.46352899       0.09084861 
Hf       7.56059780       6.30522883      -0.99043208      -0.57793339      -0.17900369      -0.47831597 
Hf       7.53356391       5.38724585      -6.28806668       0.36349533      -0.35830344      -1.56757298 
Hf       4.89093359       3.49992021      -1.67669404       0.67918389      -0.19183562       0.82146427 
Hf       4.88575714       2.50028055      -6.70540960       1.12180132       0.74096480      -0.69255657 
Hf      10.28687426       3.38826013      -1.43933818      -0.86600501       0.31767420      -0.49314920 
Hf      10.18761068       2.49480899      -6.73461750      -0.13360981       0.86736894      -0.72537666 
Hf       5.07277871       8.66735503      -1.60875378      -1.06940192      -1.04296472       0.69792088 
Hf       5.03643948       7.76194354      -6.82994979       0.05698538       0.22931344      -0.48561742 
Hf      10.22651964       8.57754473      -1.47310628      -0.23105212       0.69783885      -0.29674938 
Hf      10.09992750       7.70204828      -6.83993060      -0.11939375       0.51283859       0.25829258 
O       1.14968178       2.24194926      -2.50779339       0.69772698      -0.15309601      -0.65169247 
O       1.27873974       1.48087855      -8.00350000       0.25562408      -0.18408453       0.38174309 
O       6.48099015       2.33139909      -2.74184482       0.37157238       0.60991401      -0.00492685 
O       6.53706418       1.56929904      -7.97422017      -0.23682161      -0.37431362       0.22914458 
O       1.19215938       7.49253682      -2.75707486       0.46331229      -0.20582131       0.66857946 
O       1.24964400       6.57862528      -7.98302669       0.47884160       0.16569620      -0.13167521 
O       6.46198900       7.50660639      -2.86332839      -0.22199328       0.19433752       0.32113291 
O       6.43810431       6.60553638      -8.10279490       0.68635307       0.08341446       0.12493647 
O       3.97703555       1.19358319      -5.38740788       0.90833436       0.12847161       1.62009553 
O       3.92108776       0.57362049     -10.45902946      -0.13787693      -0.30154728       0.32085465 
O       9.15763009       1.42058502      -5.15841669      -0.34223217      -0.16850436       1.06445401 
O       9.10090241       0.43140607     -10.36835481       0.81943538       0.41016144      -0.33851063 
O       4.03610261       6.58612067      -5.20183188      -0.11442438      -0.18951759      -0.24402556 
O       3.98140457       5.71731826     -10.40822689       0.16536550      -0.13690463      -0.50172522 
O       9.15242767       6.70483746      -5.07758245       0.40847703      -0.20124478      -0.05989317 
O       9.19779544       5.65120013     -10.34872092      -0.08379113      -0.21221396       0.22917405 
O       3.95281660       1.87473850      -2.58545456      -0.95096799      -0.73084503       1.04840354 
O       3.84578295       1.05833665      -7.80212346      -0.68050867      -0.84162225      -0.93611838 
O       8.98187534       1.81995443      -2.57121126       0.39159389       0.36822456       0.54066755 
O       9.01682393       0.95580898      -7.77930043       0.58459306       0.02401551       0.12645779 
O       3.85829869       7.01931784      -2.54126422      -0.04321214      -0.00362902       0.14952727 
O       3.83423102       6.20424963      -7.87443563       0.22634160       0.21623913       0.37041946 
O       8.90362219       7.07310473      -2.41693635       0.22324126      -0.00149131      -0.03956877 
O       9.01171980       6.12552794      -7.69530825      -0.19164729      -0.01341196      -0.40334500 
O       1.28279039       1.04913144     -10.47552168      -0.32791899      -0.15748258      -1.00067723 
O       1.22415079       1.78170270      -5.44944492      -0.74225323       0.33128823       1.11890314 
O       6.50436363       2.83508364      -0.08259193      -0.33149965      -0.11565277      -0.63860324 
O       6.46125222       2.02372709      -5.32789382      -0.23561614      -0.11636860       0.56919343 
O       1.31972062       7.96547912      -0.07555286       0.00681273      -0.39675213      -0.45687675 
O       1.40631126       7.08567406      -5.36484811      -0.44517621      -0.20535753      -0.98651931 
O       6.53729308       7.96129782      -0.18669400      -0.09156319      -0.29023638      -0.01686710 
O       6.62493137       7.06265243      -5.53299177      -1.08409945       0.63795092       0.73537489 
O       3.51743166       4.65732281      -0.65116259       0.51427975       0.72190412      -0.92432617 
O       3.53208239       3.83895402      -6.14661582      -0.17700975      -0.17686212       0.56730846 
O       8.73740147       4.60953763      -0.73439905       0.21425679       0.45501292      -0.22458553 
O       8.69896475       3.69488844      -5.95902140      -0.02012696       0.67287824      -0.22799259 
O       3.49879479       9.89063068      -0.75409752       1.33346635      -0.89807598      -1.03715870 
O       3.47119495       8.83954486      -6.00123711      -0.06556718       0.53026766      -0.80665693 
O       8.68296723       9.76661795      -0.71189462       0.48490712       0.43328571      -0.96415687 
O       8.62686577       9.02271542      -6.08106623       0.65293282      -1.18430428       0.38683397 
O       1.01982179      -0.11205353      -1.71947237      -0.24237093       0.59603309      -0.96250440 
O       0.84359688      -0.94051547      -7.09795297       0.83809197       0.65228122       0.15222543 
O       6.16569072      -0.03509522      -1.94670419       0.18034978       0.66259089      -0.01602458 
O       6.06844816      -0.77378114      -7.15409529       0.39058875      -0.27131323       0.72494022 
O       1.05401553       5.02756696      -1.84972719      -0.75624981       0.55156051      -0.09625466 
O       0.91571114       4.21527174      -7.05452654       0.43759322       0.37821015      -0.11886349 
O       6.21502156       5.11474645      -1.85999519      -0.44639344       0.17132979      -0.18121993 
O       6.00855839       4.30461347      -7.03579612       0.76330813       0.33752654       0.08811889 
O       1.59519892      -0.52298561      -4.47644538       0.65184138       0.07306293       0.07720269 
O       1.71097351      -1.34727074      -9.70204302      -0.55360345       1.15663077       0.00591928 
O       6.76437256      -0.39612928      -4.53295470       0.33987088      -0.30260327       0.46657421 
O       6.85058582      -1.30796338      -9.80991627       0.04059684      -0.54428958       0.62437610 
O       1.48025483       5.74057499      -4.70195321       0.08881420      -0.13651668      -0.15881291 
O       1.80440315       3.89840049      -9.72990748      -0.82510638      -0.34328215       0.66390309 
O       7.00574753       4.76633282      -4.41215649      -0.72285609       0.18195447       0.43956639 
O       6.78286978       3.76338190      -9.72429093       0.84788439      -0.36071346       0.13632417 
O       4.22740665       4.37710124      -3.30431012       0.12181260       0.36847926      -0.62502563 
O       4.20495228       3.38207763      -8.51784868      -0.25929520       0.08278875      -0.91293120 
O       9.52031227       4.18849353      -3.41349184       0.08266258      -1.08569670       0.82253294 
O       9.43151100       3.32879643      -8.59275797       0.32676076       0.19317289      -0.55054808 
O       4.26197661       9.29553965      -3.46009890       0.89771707       1.62412243       0.53207447 
O       4.33757016       8.54590548      -8.69389635      -0.57845528      -0.47779903       0.07534941 
O       9.52427430       9.35641574      -3.37182909      -0.78152064      -0.02632239      -0.16099720 
O       9.50091432       8.50304397      -8.67624507      -0.66946978      -0.90738840       0.05819360 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007788340978143426 -0.0017308764364663486 0.0022211649351262337 -0.0017308764364663486 -0.016099454607645218 -0.0002826317112116482 0.0022211649351262337 -0.0002826317112116482 -0.019110896546918332" pbc="T T T" energy=-946.15981062 free_energy=-946.19395501 config_type=crystal 
Hf       2.81751094       2.15251652      -9.30221855       0.25396664       0.19517643      -1.75595286 
Hf       8.04589617       2.91388431      -4.13861352      -0.49975235       0.92773660      -0.98052475 
Hf       7.93119884       2.01271564      -9.50741552       0.87239971       1.25035841       0.49341875 
Hf       2.88957595       8.13282399      -4.19189538       0.19120869       0.57284681       1.07158429 
Hf       2.82023715       7.30173928      -9.36771427      -0.20932159       0.18041573       0.14449900 
Hf       8.03155475       8.17127817      -4.12921518      -2.16080027       0.31526217      -0.12443322 
Hf       8.00527510       7.38770558      -9.43606530       0.31045588      -1.14864303       0.94166150 
Hf       0.30451845       0.76776216      -3.67670213       0.57994010       0.62698102      -0.88209041 
Hf       0.23216013      -0.06868184      -9.01769396       0.83486325      -0.64286871       0.53264461 
Hf       5.35532647       0.86711713      -3.79234802      -0.10002933      -0.60603282       0.67096353 
Hf       5.45572488      -0.05488766      -8.96944209      -0.87633484       0.34208113      -0.21290636 
Hf      10.29309317       5.95328167      -3.45501515      -0.09473440      -0.06444774       0.58843141 
Hf       0.14459623       5.02317693      -8.99660826       0.18406942       0.28287544       0.71884625 
Hf       5.28466477       5.86358999      -3.67407825       1.54233978       0.49088243      -1.07431195 
Hf       5.43371200       5.08897304      -8.89431230      -0.15552662       0.32853530      -0.61535437 
Hf       2.47603753       1.28995514      -1.08370384      -0.76891134      -0.50695972       0.01937808 
Hf       2.45625337       0.36145070      -6.26411401      -0.70285064       0.39645296      -0.90214416 
Hf       7.56558826       1.23166796      -1.14649692      -0.22350876       0.15323365       0.13583656 
Hf       7.62701205       0.35803705      -6.25793977      -0.86858665      -0.21558983      -1.28212310 
Hf       2.44036661       6.48192982      -1.13225844      -0.60795852      -1.26038103       1.52294993 
Hf       2.49577328       5.28510060      -6.50443732      -0.31012687       0.27590614      -0.43088425 
Hf       7.40500895       6.34430240      -1.04225919       0.63366913       0.04385330       0.87071899 
Hf       7.55823723       5.45650440      -6.37638815       0.14739011       0.52133106       1.26654410 
Hf       4.84717091       3.46635694      -1.70106925      -0.37018534       0.13492934       1.75964115 
Hf       4.99695512       2.50212816      -6.79286939       0.40243985       0.67216676       0.46244130 
Hf      10.28057182       3.40164974      -1.54823975       0.17115278      -0.21141736       0.68153531 
Hf      10.08898548       2.50036030      -6.83264455       0.94007320       0.42971932       0.47475124 
Hf       4.97930356       8.61339590      -1.53692568       0.41071830       0.74279645       1.01404185 
Hf       5.01641458       7.72842240      -6.73152056       0.59098125       0.49887315      -0.40784198 
Hf      10.24459532       8.55869304      -1.51322544      -1.26571826       1.53480704       0.32733643 
Hf      10.19843633       7.79433827      -6.80001829      -0.09776798      -1.13072668      -0.84546195 
O       1.25441574       2.40511313      -2.67997957       0.22053620      -1.29787562       0.49335015 
O       1.34171666       1.48262538      -8.02779342      -0.48074430      -0.32979302       0.43337171 
O       6.56930183       2.38840373      -2.81157448      -0.67421247      -0.27821145       0.61715021 
O       6.59813303       1.50434326      -7.98116925      -0.98119757       0.05383034      -0.02741683 
O       1.28158595       7.52528117      -2.72803235       0.02138182      -0.20004088      -0.55668085 
O       1.25587735       6.62103242      -8.06737527       0.48394686      -0.43234025       0.14325942 
O       6.41649623       7.46344633      -2.70174277       0.83465949       0.55389833       0.18939422 
O       6.54131402       6.71998297      -7.88363771       0.18687233      -0.43706629      -0.97086119 
O       4.13275864       1.26404771      -5.35897754      -0.40079865      -0.37090034       0.69572988 
O       3.98846269       0.66326991     -10.36431051      -0.90433833      -0.28954467      -0.47845687 
O       9.13337727       1.38179450      -5.11078477      -0.19912287       0.26543715       0.20646181 
O       9.12047627       0.39206080     -10.43318227       0.43705020       1.23006089       0.30589838 
O       3.93985284       6.62388225      -5.12574128       0.46189354      -0.77141636      -0.40782269 
O       4.00179022       5.76296221     -10.34682451      -1.44279158      -0.65714525      -0.47269016 
O       9.17412687       6.73721485      -5.05862396       0.67452894      -1.04699416       0.17115062 
O       9.11612616       5.71856040     -10.29606689      -0.65862214       0.37409963      -0.73646250 
O       3.97388615       1.70816644      -2.36829165       0.66115311       0.33035124      -0.90302702 
O       3.93195985       0.97811344      -7.84403255      -0.85822957       0.61492808       0.60506521 
O       9.13213470       1.84922369      -2.49482979      -0.95350832      -0.32877062      -0.29212733 
O       8.95574063       0.96406249      -7.78442671       1.50341321      -0.04189016      -0.51528877 
O       3.90907554       7.08378001      -2.49848420      -1.38968891      -0.28901643       0.03473083 
O       3.83532242       6.26149366      -7.79317454       0.48732398      -0.66231376       0.56472543 
O       8.87558543       7.06655510      -2.35477425       1.31736384      -0.17941201      -1.03538926 
O       9.09660706       6.05762849      -7.66429771      -0.42670109       0.99170531      -0.09621943 
O       1.36159943       2.79890061      -0.04877942      -0.82465089       0.29884648      -0.47617903 
O       1.16153149       1.70876945      -5.48016900      -0.44364821       0.02099321       0.50341710 
O       6.43372449       2.86950789      -0.15217112       0.60636037      -0.53387926      -0.46743063 
O       6.54494397       1.97569157      -5.38708562      -0.38213831       0.02433144       0.23232466 
O       1.21202937       7.97639597      -0.14686297       1.27770869      -0.39843746       0.17706454 
O       1.45733509       7.02009245      -5.45333559      -0.32398364      -0.25182715       0.14516827 
O       6.38922264       6.16124087     -10.49644735       1.15556383       0.29117317      -0.63805479 
O       6.48076114       7.12458930      -5.30520300      -0.06660493      -0.17430434      -0.60570738 
O       3.53603039       4.78171651      -0.64004468      -0.00021486      -0.02268138      -0.96867592 
O       3.61046449       3.81532320      -6.01888471       0.36283159      -0.45974308      -0.48268536 
O       8.71057352       4.67382084      -0.81611597      -0.60460323       0.00296058      -0.20990984 
O       8.59394703       3.68542465      -6.06441252       0.51029911       0.22951517       0.06770665 
O       3.59112316       9.87409466      -0.58192898       0.19095331       0.13363054      -1.70275510 
O       3.54384649       8.89407365      -6.03928819      -0.09863000       0.23998396       0.48330598 
O       8.72934525       9.85527809      -0.70783099       0.35469222      -0.21290572      -0.87965209 
O       8.82788016       8.99471156      -6.00903527      -0.82779440       0.24754036       0.30709628 
O       1.07729800      -0.08607646      -1.91192856      -0.21657091       0.17364159      -0.07318300 
O       1.05225583      -0.96312777      -7.16689151       0.09985832       0.57528178      -0.20259734 
O       6.06900373       0.01763486      -1.74279175       0.73512886       0.34187166      -0.80618075 
O       6.09518000      -0.81541768      -7.13251081       0.61426625      -0.25320159       0.89461740 
O       0.92162997       5.23175133      -1.79046619      -0.37191100      -0.61975703      -0.40181627 
O       0.81306064       4.26223393      -7.02653408       0.57758453      -0.43007168      -0.27844753 
O       5.99221976       5.17978467      -1.80402413       0.30846103      -0.54204727      -0.09096817 
O       6.11725117       4.32756920      -7.11745990      -0.21569662      -0.51924703       0.41433432 
O       1.63980851      -0.63623026      -4.58381837      -0.48915080       0.99987330       0.56580142 
O       1.61981800      -1.40856022      -9.81935125      -0.69560565       1.10617655       0.40137653 
O       6.91945530      -0.37550655      -4.47681447      -0.65993830      -0.24762936       0.80888147 
O       6.84975034      -1.26732682      -9.75502467       0.68076881      -0.45306103      -0.03844916 
O       1.46277804       5.66578777      -4.75468326       0.03062797       0.41668857       0.03564303 
O       1.61000042       3.85711987      -9.73891604       0.92784857      -0.25594588       0.25451775 
O       6.86344423       4.75380970      -4.45883327       0.33590966      -0.51094612       0.34760602 
O       6.78033299       3.78958848      -9.67127925       0.67278518      -0.37192280      -0.52339159 
O       4.03335479       4.38273265      -3.30091927       0.39436303      -0.47724911       0.18853204 
O       4.27487886       3.39752799      -8.60759204      -0.39770906       0.20237389       0.29530257 
O       9.54521012       4.11744291      -3.43089268       0.31226119       1.03400045      -0.04939187 
O       9.43751711       3.30463033      -8.75173703      -0.12151883      -0.60318456       0.47334022 
O       4.27772778       9.40617362      -3.33023292      -0.34688154       0.12236071      -0.93622927 
O       4.25252601       8.61821119      -8.65577513      -0.21040266      -0.89435301       0.43722146 
O       9.40343891       9.35681011      -3.38743832       1.45497934       0.76190043       0.83491116 
O       9.51746855       8.54338235      -8.60791052      -1.05846888      -0.82656365      -0.19135995 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016648805302552073 -0.006308782208389095 0.0009626932698779773 -0.006308782208389095 -0.020983785584895737 -0.0005009700426156662 0.0009626932698779773 -0.0005009700426156662 -0.012060061618145415" pbc="T T T" energy=-946.45202202 free_energy=-946.48948905 config_type=crystal 
Hf       2.82395313       2.11317756      -9.37577483      -0.37436677       0.03019807       0.10498539 
Hf       8.04880690       3.00578854      -4.11969136      -1.22298715      -0.29109543      -0.91294674 
Hf       8.03712499       2.08354752      -9.43054158      -0.69085007       0.25907536      -0.34194845 
Hf       2.92478274       8.06990036      -4.14019250       0.10404181       0.58398440       0.07122088 
Hf       2.75731217       7.25087959      -9.39449191      -0.30309881       0.45581638      -1.27280695 
Hf       7.95355813       8.23382514      -4.17865351       0.46370444      -0.07424689       0.09785309 
Hf       7.96177530       7.30465637      -9.34084516       0.37522561      -0.55963047      -1.43156174 
Hf       0.23071858       0.77047821      -3.75544917       0.59364905       0.61348873      -0.39508132 
Hf       0.21532234      -0.12132906      -8.98674727       0.37979682       0.46521503      -0.26963816 
Hf       5.38544191       1.00628369      -3.76632578      -0.39655350      -1.93033096       0.54544258 
Hf       5.31280855      -0.09868847      -8.99676315       1.68435807       1.42604152       0.67474349 
Hf       0.01201367       5.96571413      -3.39676756      -0.57356280      -0.43830898       0.01239867 
Hf       0.17641225       5.03129956      -8.95402545       0.63672137       0.14321349      -0.78819033 
Hf       5.49556636       5.89198540      -3.74834374      -0.81879626       0.34406412       0.47276491 
Hf       5.39721816       5.00491239      -8.89544815       0.34618546       0.55712467      -0.82895991 
Hf       2.38743409       1.23637105      -1.20357107      -0.66356114       0.00002960       0.84163028 
Hf       2.41511664       0.41333633      -6.22103336       0.38359521      -1.09945756      -1.01422979 
Hf       7.47208205       1.27310541      -1.05383430       0.41460794      -0.46486078      -1.09250600 
Hf       7.58822061       0.35894324      -6.37831973      -0.34286864       0.26828651       0.26131365 
Hf       2.40252994       6.38987511      -1.05302166       0.33437990       0.24748655       0.40681123 
Hf       2.58465331       5.30476122      -6.51008118      -0.41973882       0.45703709      -0.46926917 
Hf       7.43938036       6.33087661      -1.06083704       1.51404202       0.56800075       0.68605970 
Hf       7.65344631       5.47021784      -6.37534985      -0.17771529       0.04533607       1.62488787 
Hf       4.88533945       3.39140127      -1.56786020       0.70255706       1.31061902      -0.34017811 
Hf       4.94210766       2.55523543      -6.75411719       0.38212953      -0.74854903       0.46225669 
Hf      10.21749234       3.33228021      -1.49473003      -0.08650983       0.05405278      -0.72030309 
Hf      10.23359626       2.54457932      -6.80434716      -0.60948484      -0.05004882       0.15112678 
Hf       4.94393978       8.65087736      -1.58304593      -0.39494851      -0.78130798       1.32282111 
Hf       5.06722686       7.73849851      -6.86295019      -0.84536201      -0.15130321       1.27519336 
Hf      10.13258680       8.70333056      -1.54088010       0.11033131      -0.55254206       1.09825608 
Hf      10.19549183       7.73689780      -6.82173886      -1.03055677      -0.12695587      -0.39355130 
O       1.21074959       2.29434628      -2.68934788       0.02409152      -0.36927057       0.41379853 
O       1.32822591       1.47834649      -8.02830606      -0.46219845      -0.07403114       0.39847475 
O       6.51006198       2.42591530      -2.68484302       0.03680437       0.19456674      -0.38760175 
O       6.50998073       1.48051703      -8.00144714      -0.30885688      -0.10673005       0.57767339 
O       1.31681196       7.45439726      -2.64262101       0.26399352       0.13204567      -0.86615971 
O       1.29272403       6.56128378      -8.04143399       0.10683893       0.46681157       0.26676485 
O       6.56474372       7.49866206      -2.71571012      -0.24086415       0.21392753       0.26318289 
O       6.61312363       6.49987240      -7.87106022      -0.78614959       0.89529363      -1.24584822 
O       4.04974559       1.14790273      -5.25295009       0.31308664       0.64554697      -0.33372254 
O       3.90106919       0.56514146     -10.31894515      -0.13598421      -0.24839846      -1.19125401 
O       9.09368344       1.39334304      -5.19528519      -0.38269303       0.53499705      -0.02269429 
O       9.13555009       0.55437014     -10.48606038       0.14001553      -0.61184571       0.93115048 
O       4.03109033       6.46763275      -5.16048562       0.43416544       0.34039231      -0.56484603 
O       3.87569132       5.65007260     -10.42828490       0.48998285      -0.01561303       1.03434187 
O       9.26959643       6.66578861      -5.12113541       0.15093088      -0.11720539       0.38272166 
O       9.21140797       5.84401494     -10.36762166      -1.16081448      -0.45855964       0.29022612 
O       4.01196253       1.73640493      -2.34692516      -0.42185200       0.07420748      -0.26698515 
O       3.82587141       0.97166708      -7.78596190       0.24867722       0.45637249      -0.07808780 
O       8.91554858       1.86145755      -2.58021855       0.85724744      -0.53036176       0.36191162 
O       8.94616795       0.93353547      -7.90430874       1.00256256      -0.00202519       1.02070358 
O       3.93474653       7.02042438      -2.47228146      -0.77107948      -0.45848180      -0.70220193 
O       3.82382016       6.20687601      -7.87624372       1.18746037      -0.19299159       0.40171989 
O       9.03170689       7.07220961      -2.42430524      -0.46276032      -0.20814287      -0.11773696 
O       9.11759379       6.04250716      -7.73810086      -0.29945504       0.91949188      -0.00389494 
O       1.30516070       2.82054838      -0.10152669      -0.04584480       0.02951055       0.03390857 
O       1.13814315       1.70552013      -5.41919493      -0.35756156       0.91928413      -0.10204712 
O       6.46396980       2.78811582      -0.08147908      -0.80555758       0.63771417      -0.16645385 
O       6.40079671       2.14576195      -5.28953770       0.55603530      -0.93510098      -0.11407348 
O       1.28549135       7.96179841      -0.13904644      -0.31599662      -0.20409967       0.32482864 
O       1.42631060       7.19978632      -5.51807254       0.64389615       0.51535667       0.33780891 
O       6.34708428       6.21383398     -10.49290456       0.79756281      -0.44894351      -0.52939817 
O       6.60803852       7.26701201      -5.40319666      -1.13319363      -1.25562221      -0.15877944 
O       3.55264177       4.68151517      -0.74174599      -0.25503912       0.19800469       0.00722220 
O       3.43187153       3.67942299      -6.12695242       0.34959090      -0.52640941       0.31906801 
O       8.69091051       4.62149558      -0.85920123      -0.70375960       1.07699613       0.69058895 
O       8.67025834       3.78379214      -6.04549172       1.02264680      -1.00403499      -0.05275744 
O       3.35577155       9.70419396      -0.76414406       0.60249801       0.77983944      -0.82148934 
O       3.49158310       8.77171662      -6.06201943       0.38298483       0.42254811       0.03474057 
O       8.65004828       9.94055968      -0.77147672       0.31302837      -1.08938753      -0.23400857 
O       8.61020400       8.90261340      -6.09750511       0.70939611       0.24470589      -0.50345242 
O       0.87373778      -0.00259783      -1.88696216       0.75452904       0.40472017       0.20665730 
O       0.86989181      -0.85967191      -7.11335239       0.18218910      -0.30262438       0.21563263 
O       5.99208780       0.00906610      -1.80858432       1.37405692       1.43184599       0.12042003 
O       6.17095912      -0.94956077      -7.13568136       0.02763751       1.14560255       0.13087688 
O       0.92148783       5.08449608      -1.67984327      -0.33812655       0.39989526      -0.97966394 
O       0.88363765       4.27712772      -7.02140675      -0.05346872      -0.36016720       0.30249878 
O       6.21995289       5.08849426      -1.87500945      -1.09251894      -0.43046211       0.17678023 
O       6.11916412       4.23757200      -6.97474267      -0.33235105       0.65148685      -0.59097094 
O       1.79487889      -0.49657814      -4.48380482      -0.65953881      -0.25393937       0.96568504 
O       1.62752916      -1.27809633      -9.80136795       0.51328543      -0.85640212       0.38262513 
O       6.97866190      -0.28398475      -4.37334202      -0.56572844       0.33534165      -0.49765574 
O       6.87550258      -1.28494325      -9.66743393      -0.13055956      -0.37917523       0.06630693 
O       1.56075738       5.89945483      -4.85460337      -1.15559530      -0.52704656       1.35303642 
O       1.78242913       3.85486009      -9.52365793      -0.23594193       0.51934762      -0.97189701 
O       7.04875348       4.88822428      -4.40723371       0.45211543      -0.74009765      -0.38245527 
O       6.86479850       3.81519970      -9.64789571       0.41963948       0.00653839      -0.55710164 
O       4.34637282       4.29003815      -3.41186257       0.28011237      -0.36625437       0.71044951 
O       4.29291631       3.39079667      -8.59961065      -0.40151432      -0.76816462      -0.30173828 
O       9.46422235       4.16134376      -3.36298540       1.54534154       1.32167279      -0.01690265 
O       9.54290535       3.27970063      -8.69903323      -0.33717411      -0.03861776      -0.07179742 
O       4.28742992       9.37074955      -3.38851851      -0.05730323       0.09490904      -0.88491907 
O       4.25182249       8.59887052      -8.67610962      -0.85399642      -2.17783612       0.07679951 
O       9.58851635       9.32266931      -3.49346861      -0.52885237      -0.38277817       0.17073267 
O       9.50144371       8.44331027      -8.74743705       0.10352465      -0.10854530       0.94260901 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015355976189263841 -0.007528559787607657 0.003230490254823222 -0.007528559787607657 -0.016420894886646945 0.0005608287989818108 0.003230490254823222 0.0005608287989818108 -0.018317529933339047" pbc="T T T" energy=-946.41210796 free_energy=-946.44268699 config_type=crystal 
Hf       2.78400848       2.12846075      -9.35686160       0.05928601       0.05375468      -0.62649793 
Hf       8.07793776       2.92337644      -4.09119110      -0.46542045       0.44532493      -0.55019072 
Hf       7.97290133       2.08801788      -9.35492245       0.21539885      -0.04569307      -1.07899694 
Hf       2.88407502       8.19476520      -4.12056218       0.61233323      -0.96687656       0.55283169 
Hf       2.74359303       7.37256258      -9.38543358      -0.04862124      -0.29316867      -0.98314756 
Hf       7.97470851       8.19247877      -4.22213854      -0.28284298      -0.12839013       0.69303491 
Hf       8.04673882       7.25141515      -9.33339457      -0.65366974       0.59976331      -1.47956056 
Hf       0.27284146       0.79512178      -3.73294138       0.46742474       0.06000261       0.19867383 
Hf       0.20722976      -0.07294462      -8.95461810       0.54682870       0.62935701      -0.09953950 
Hf       5.30019317       0.82217451      -3.78136745      -0.12996866       0.99722237      -0.26222261 
Hf       5.42699176      -0.05136979      -9.02708285      -0.40400585      -0.20235154      -0.23067006 
Hf       0.08523211       5.99051335      -3.51174645      -2.06341545      -1.78091648       1.39249976 
Hf       0.19073267       5.03849198      -8.91571249       0.34581987      -0.86918421      -0.33305233 
Hf       5.40432648       5.88561295      -3.71179026       0.79859944       0.64504040      -0.42630706 
Hf       5.40683605       5.07074031      -8.97504836       0.12874628      -0.37053983      -0.28145303 
Hf       2.46060971       1.23098507      -1.15335328      -1.23122997       1.18447162      -0.06315637 
Hf       2.40879996       0.27203909      -6.29784189       0.19242122       1.35335309       0.10187376 
Hf       7.49668907       1.21989225      -1.22145524       1.05764775       0.11738735       2.24393447 
Hf       7.50599566       0.28564317      -6.30945238       0.33600962       2.04137474      -0.62369958 
Hf       2.40394998       6.48982506      -1.07614258       0.09874183      -1.11333773       0.39183911 
Hf       2.61727281       5.35240032      -6.51144437      -0.24123468      -1.47974757       0.34559432 
Hf       7.52173539       6.39967647      -1.09381559       0.48404767      -0.54001790       1.12268377 
Hf       7.56333990       5.41312003      -6.34758316      -0.13063874      -0.69134574       1.08074786 
Hf       4.86687787       3.44262965      -1.66057700       0.50356512       0.15970745       1.67716967 
Hf       4.99327290       2.60846283      -6.74421251      -0.24641040      -1.41664083      -0.14280699 
Hf      10.22689712       3.39723772      -1.42433295      -0.55251779       0.23761498      -0.71436626 
Hf      10.16490716       2.50810024      -6.75112778       0.30032803      -1.13891385       0.59886598 
Hf       5.00689832       8.61350098      -1.52186774      -0.59167223      -0.44907124       0.37288979 
Hf       5.05624422       7.72689537      -6.84991256      -0.85306801       0.53668472       1.01879264 
Hf      10.12935957       8.63576975      -1.54375957       0.25700733       0.36407268       0.31729080 
Hf      10.10786891       7.73431140      -6.83395923       0.69214493      -0.14513969       0.48168084 
O       1.14746937       2.27181162      -2.57824759       0.99061313      -0.24675303       0.19585368 
O       1.38858448       1.40512924      -7.96557336      -0.55644604       0.03520254       0.21301521 
O       6.52358433       2.37322119      -2.72646734      -0.04848779      -0.44477797      -0.53882082 
O       6.54563305       1.45575800      -7.96593500       0.03256590       0.10123109      -0.54385040 
O       1.25989070       7.54583408      -2.82828910       0.00464648      -0.05724658       1.12551876 
O       1.30874327       6.61772184      -8.04315955      -0.71635628      -0.63839911       0.20844961 
O       6.49262478       7.48607145      -2.76961928       0.25258935       0.72679420       0.26891781 
O       6.51893498       6.60965770      -7.95965659      -0.17487966       0.17243912      -0.20157329 
O       4.16396039       1.25659078      -5.42038203      -0.52708674      -0.70279039       1.02106049 
O       3.87540434       0.56166177     -10.43325598       0.00559058      -0.03934541      -0.01455169 
O       9.14478935       1.36001402      -5.02161895      -0.67257837       0.12324937      -0.77323881 
O       9.12967365       0.57252476     -10.34788822      -0.07589797      -0.53465638      -0.06083329 
O       3.94021390       6.51559724      -5.07475307       0.66501142       0.16259033      -1.15856943 
O       3.94823677       5.61946542     -10.39368673      -0.06163891       1.08689287       0.01558274 
O       9.28389940       6.64517820      -5.15339153      -0.39226152       0.06169387       0.27961819 
O       9.10803908       5.64114094     -10.32556597       0.17553542      -0.05038640      -0.23258223 
O       3.89624945       1.82602116      -2.56246038       0.20095037      -0.46875835       0.68668702 
O       3.83778315       1.00527934      -7.84582343       0.58893271       0.10951491      -0.33820160 
O       9.10332719       1.84960051      -2.45177540      -1.33965104      -0.30310612       0.07591264 
O       9.15908525       0.88171312      -7.76656847      -1.27781205       0.45302162       1.02746520 
O       3.86380222       7.14799039      -2.48661329      -0.51085409      -0.78281601       0.06345529 
O       3.82176194       6.24906983      -7.85365739       0.83226112      -0.24935187       0.58528630 
O       8.94752773       6.98909982      -2.55469352       0.44429395       0.45201157       0.53479747 
O       8.94454073       6.12140234      -7.73387858       1.22903862       0.13452624      -0.13031604 
O       1.23107509       1.12421457     -10.49483467       0.37704976      -0.05128234      -0.42764545 
O       1.20357063       1.71695264      -5.40324875      -0.06315351      -0.11110052      -0.17751818 
O       6.37342306       2.82386794      -0.20090024       0.50906891      -0.69399351       0.73136897 
O       6.60026741       2.02777506      -5.39922671      -0.54572587      -0.51661747       0.20460247 
O       1.20910938       7.94437504      -0.07116939      -0.02442731       0.40107772      -0.80632363 
O       1.50176950       7.13592915      -5.59896211       0.22970725      -0.43429555       0.81033324 
O       6.48690555       7.98905757      -0.02307388      -0.31054513      -0.10091480      -0.77349591 
O       6.49641911       7.03761705      -5.41659100       0.30707982       0.00514609       0.02288762 
O       3.53817599       4.76118752      -0.73288528      -0.18564930      -0.14858366       0.16814657 
O       3.71869604       3.82901615      -5.88472503      -1.07479319       1.05150561      -0.43421360 
O       8.55852579       4.57116680      -0.81221195       0.41463562       1.01913161      -0.15504426 
O       8.70108614       3.68244462      -5.98998426      -0.01892031       0.88111175      -0.07138461 
O       3.33896411       9.76216152      -0.81554715       1.48895639      -0.96393124      -0.28526364 
O       3.57452778       8.86946096      -5.88399577       0.57704711       0.13335381      -1.71590433 
O       8.67467650       9.73949294      -0.76327261      -0.25279305       0.59231136      -0.02306613 
O       8.63350818       8.93463685      -6.06140200       0.23278879      -0.58542764      -0.02030256 
O       0.91081658      -0.00813513      -1.78770423      -0.29928853      -0.55103065      -0.25078807 
O       0.96388221      -0.99107768      -7.03372876       0.14605724       0.15595156      -0.09270560 
O       6.14499990      -0.08582171      -1.86137402       0.31323739       1.11280762      -0.04255841 
O       5.99335854      -0.77220080      -7.11261483       0.19234927      -0.97292632       0.06385862 
O       1.04973618       5.07282901      -1.82207127      -0.54154174       1.03243636      -0.41930865 
O       0.91856182       4.10946285      -7.08975159       1.29778999       1.87583163       0.20830496 
O       6.07941096       5.25654053      -1.74503037      -0.65151255      -0.98642813      -0.33183353 
O       6.09101276       4.27308344      -7.07585406       0.65458073       0.92133388      -0.31388331 
O       1.72163998      -0.52183812      -4.39936394      -0.43885017       0.79127055      -0.17242615 
O       1.72059846      -1.18894377      -9.74656340       0.24546475      -0.91030658       0.54664508 
O       6.76272954      -0.39683940      -4.53185833       0.90026289      -1.01488569       0.25768959 
O       6.98611215      -1.29534822      -9.66865746      -0.66019374       0.51057551      -0.14562796 
O       1.56908884       5.81597186      -4.80514257       0.14650919      -0.02326835      -0.99079897 
O       1.74003496       3.93932956      -9.64354269      -0.54201548      -0.46311978      -0.11814608 
O       6.92540821       4.65261475      -4.44278680      -0.20792393       0.87845353       0.18696836 
O       6.86028194       3.82715639      -9.63679890      -0.08455676       0.02322699      -0.34845906 
O       4.31071239       4.37670109      -3.25306223      -1.06657372      -0.36375156      -1.15332284 
O       4.14170437       3.49038277      -8.59047472       0.42705191      -0.43726790       0.54984343 
O       9.58105726       4.14128987      -3.41607121       0.45377532       0.90908435       0.14216645 
O       9.35358752       3.27911361      -8.54660926       0.84261990       1.01614216      -0.73508644 
O       4.34345263       9.38736992      -3.36976951      -0.40960470       0.01304617      -0.05930041 
O       4.30822350       8.48551129      -8.71233117       0.25693665       0.36087427      -0.00361284 
O       9.40726566       9.37977624      -3.40604126       0.17508288      -0.22218096       0.05606788 
O       9.55759099       8.49867641      -8.61279749      -1.07687997      -1.09521071      -0.78785213 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018732310864088227 -0.006533264856138888 0.0013607153554090858 -0.006533264856138888 -0.020610022185638923 -0.0018490645110779038 0.0013607153554090858 -0.0018490645110779038 -0.016180219604662455" pbc="T T T" energy=-946.98347549 free_energy=-947.01618553 config_type=crystal 
Hf       2.72556151       2.19632549      -9.31456902      -0.07222065      -1.40926187      -1.03920808 
Hf       7.99980045       2.96881372      -4.19676902       0.08007671      -0.00328237      -0.02544253 
Hf       8.06244136       2.11217657      -9.42462324      -0.88823556      -0.89601253       0.03077585 
Hf       2.95984905       8.13315446      -4.16546446      -1.02677188       0.24792051       0.64293163 
Hf       2.80728118       7.30067090      -9.40159514      -0.92367842      -0.19350871      -1.79717839 
Hf       7.93815130       8.18189195      -4.12884336       0.65371515       0.65780907      -0.37861580 
Hf       7.96049532       7.31883866      -9.39160436      -0.36803444      -0.28993197      -1.43139227 
Hf       0.26287831       0.75950711      -3.74448110       0.42687672      -0.35446713      -0.28802576 
Hf       0.25240011      -0.13237335      -8.93924493       0.36838692       0.74862885      -0.54461309 
Hf       5.34998129       0.87253061      -3.71082200       0.56509291       0.44458556      -0.41916404 
Hf       5.38864534      -0.03419382      -8.98601559      -0.72446137      -0.23439239       0.31734105 
Hf      10.36969531       6.00722712      -3.46174875      -0.27735569       0.03143694       0.09890938 
Hf       0.16730661       5.02317649      -8.91523660       0.60643436       0.20759460      -0.86434998 
Hf       5.44512127       5.91745990      -3.74158766       0.03756893       0.11860067       0.25040888 
Hf       5.40439495       5.03949193      -8.99395277       0.25181593      -0.89219961      -0.42763325 
Hf       2.45711317       1.29910546      -1.13433578      -0.34112947      -0.72112594       1.35547041 
Hf       2.53973202       0.38758616      -6.28121284      -1.54689585       0.61160948       0.56168727 
Hf       7.47124594       1.32851006      -1.07556505       0.22934469      -0.87129481      -0.72911085 
Hf       7.56156337       0.27419593      -6.34085081      -0.26707577       1.61481579       0.13742384 
Hf       2.40652916       6.35577703      -1.10889590      -0.89499618       0.87497412      -0.29193701 
Hf       2.58039371       5.32004120      -6.51845729      -1.20704066       0.35772800       0.45814941 
Hf       7.51844468       6.33263863      -1.06259651       0.22279528       0.16872197       0.08233203 
Hf       7.56641075       5.50023540      -6.35297983      -0.05730629      -1.02666457       0.80674785 
Hf       4.90061921       3.51821762      -1.53775008      -0.37067435      -0.45605799      -0.40990718 
Hf       5.03152581       2.50254927      -6.79966936      -0.35314852       0.78113741       0.53168593 
Hf      10.11901063       3.31848506      -1.49001264       1.20806091       1.12548672      -0.05429341 
Hf      10.20999117       2.48703232      -6.76165545      -0.39975170       0.03017379       0.14129636 
Hf       4.99160578       8.59142017      -1.55053612      -0.33340612       0.51728864      -0.03768419 
Hf       4.97503856       7.69212266      -6.84469797       0.52473863       0.58422820       0.47763866 
Hf      10.16643776       8.62948010      -1.44140512       0.29247318       0.31973667      -0.68323631 
Hf      10.14401820       7.78122194      -6.89586144       0.12198652      -0.39151546       1.01558227 
O       1.20735186       2.14114636      -2.49655094      -0.40387996       1.11252143      -0.66377245 
O       1.37448371       1.42609967      -7.90309383      -0.31749766       0.36233447      -0.20528094 
O       6.50050665       2.38352872      -2.75301901       0.49337792       0.39926977       0.09493181 
O       6.54743712       1.45843101      -7.92251655      -0.02845248      -0.12795899      -0.95011589 
O       1.35304676       7.44045597      -2.69555708      -0.25672145       0.91467258      -0.15656710 
O       1.26290316       6.63476475      -8.03900993       0.08496316      -0.19234737       0.33009970 
O       6.52278293       7.52477151      -2.78328569      -0.61188281      -0.20305405       0.65255051 
O       6.44213636       6.61746985      -8.04351983       0.57476949       0.00976557       0.00145897 
O       4.21792342       1.31367073      -5.36121669      -1.74883266      -0.83630165       0.60370903 
O       3.81111719       0.54619126     -10.26202966       0.07014695       0.56956343      -0.84850327 
O       9.15222766       1.41958783      -5.16724096      -1.04998309      -0.12192239       0.43503028 
O       9.04841729       0.45246220     -10.38818989       0.24361293       0.63940031      -0.08430038 
O       4.03798648       6.59685600      -5.16861275      -0.42634136      -0.17544009      -0.55475817 
O       3.92478899       7.45413698      -0.02992488       0.92158579       0.05257632       1.78673947 
O       9.15980052       6.69943688      -5.12872954       0.31084512      -0.50823304       0.16444614 
O       9.14444917       5.73696695     -10.38715642      -0.03060611      -0.09763187       0.92284581 
O       4.05044673       1.78272114      -2.31154901      -0.45039009       0.13965386      -0.48991590 
O       3.81680089       0.92693926      -7.82114600       0.97855851       0.84148631       0.10732259 
O       8.98449723       1.91716737      -2.44345253      -0.18298729      -0.40070533      -1.18790430 
O       9.07181124       0.91264791      -7.85421497      -0.04874459       0.03774870       1.05506233 
O       3.89785517       7.04684185      -2.50264244      -0.04026743      -0.02386549      -0.80735195 
O       3.87204110       6.13948177      -7.87091090       0.17305774       0.18113040      -0.11928853 
O       8.91858930       7.08120412      -2.41640890       1.09360028       0.05017022      -0.53956811 
O       8.96399250       6.18336037      -7.73409531       0.33504723       0.05534710      -0.52809256 
O       1.15156938       1.02280300     -10.44245996       0.20454615       0.59634484      -1.00035690 
O       1.11164987       1.75935038      -5.39913346       1.37040241      -0.12024720       0.23403422 
O       6.33197014       2.81981124      -0.09654196       0.43066592       0.41300213       0.00053924 
O       6.50612229       1.97289987      -5.38494476       0.90613524      -0.04237334       0.36331906 
O       1.34444796       7.97794893      -0.06656867      -1.13357783      -0.20208420      -0.53072806 
O       1.45686597       7.12138763      -5.43960513      -0.22382836      -0.69097807       0.16756233 
O       6.49812291       7.90686019      -0.13691293      -0.61310188       0.52259676       0.51284960 
O       6.46637890       7.05027041      -5.36929206       0.42513633      -0.04758925      -0.64999866 
O       3.43645926       4.66771061      -0.73966950       0.18290072      -0.35040142       0.12907854 
O       3.57665925       3.82053523      -6.08584652       0.97976587      -1.19258712       0.02104039 
O       8.67137894       4.66686868      -0.85880273       0.12835620      -0.63316909       0.65566613 
O       8.74521975       3.77548546      -6.05449933      -0.28995721       0.50705971       0.03521664 
O       3.43641655       9.77071860      -0.84789893       0.56396574      -0.13878054      -0.02595879 
O       3.60980543       8.92532565      -6.00207800      -0.22987294      -0.13231506      -0.37000401 
O       8.60103986       9.84731007      -0.88584815       0.17494074      -0.32407916       0.63130623 
O       8.59304110       8.91507270      -6.02382292       1.52500114      -0.79762990      -1.17792393 
O       1.01550816      -0.10579108      -1.86370693      -0.23350628      -0.14324235      -0.05729146 
O       1.00489239      -0.92689908      -7.08664888      -0.72242581      -0.55986828      -0.52650277 
O       6.05851420       0.05128137      -1.83085407       0.27442809      -0.40626800       0.47008200 
O       6.12533887      -0.94579418      -7.07499302      -0.35280867       0.28483798      -0.56081870 
O       0.87788714       5.15709464      -1.84207226      -0.12101620      -0.95815823       0.29872861 
O       0.94012968       4.23839757      -7.07869857      -0.16873355      -0.15222823      -0.36599664 
O       6.08355835       5.16464031      -1.76925606       0.35966575       0.56418715      -0.21871375 
O       6.15552600       4.24850349      -7.10254771      -0.19455568       0.57055002      -0.56574173 
O       1.64266595      -0.54140928      -4.58663631       0.60546022      -0.24637663       1.09424967 
O       1.69563546      -1.31760204      -9.78523086      -0.03820043      -0.22789467       0.48442110 
O       6.91029355      -0.37252679      -4.44725323      -0.38029275       0.12907892       0.25273651 
O       6.86400489      -1.23048741      -9.68792404       0.57788976      -1.06804766       0.08802996 
O       1.54882652       5.71604832      -4.76154246      -0.05137507       0.69658150      -0.50832576 
O       1.61892797       3.86800410      -9.76656366      -0.15668774      -0.19301045       0.77981812 
O       6.83351446       4.63129019      -4.47638573       0.61559424       0.68324056      -0.28581808 
O       6.90688616       3.76331379      -9.69284997      -0.72695055       0.75583820       0.23235266 
O       4.33660179       4.40101760      -3.29355857      -0.92404039      -1.13678222      -0.05056420 
O       4.18653694       3.36893435      -8.64532117       0.94346705       0.58467483       0.19726340 
O       9.51025863       4.24764211      -3.43432721      -0.40740076      -1.12141121       0.08453803 
O       9.47042826       3.24416717      -8.71086697       1.08229792       1.26109672       0.49741044 
O       4.33798785       9.40577743      -3.43880308      -0.39101628      -0.49598890       0.12383288 
O       4.27225251       8.51486816      -8.78727080       0.58163282      -0.23580459       1.11740300 
O       9.48987380       9.35317964      -3.42647298       0.10884784      -0.22600392       0.35028290 
O       9.54624022       8.42110716      -8.86129499       0.04505401      -0.07739763       1.54828156 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011882308668624908 3.154604763534944e-05 0.0007019568475780372 3.154604763534944e-05 -0.018744985215802246 0.0012776833049641266 0.0007019568475780372 0.0012776833049641266 -0.0048297273593570595" pbc="T T T" energy=-946.69186018 free_energy=-946.72468667 config_type=crystal 
Hf       2.79590755       2.05965096      -9.43190739       0.79243128       0.08529411       1.03230031 
Hf       7.98726737       2.98600881      -4.21560318       1.15084556      -0.26894504       0.18598258 
Hf       7.96846093       2.18021769      -9.43197848       0.39287371      -1.01469767       0.20472518 
Hf       2.87153975       8.18899498      -4.18315312       1.13956064      -0.03085482       0.95558766 
Hf       2.79205680       7.35644100      -9.46253413       0.23643749      -0.93551961       1.17600456 
Hf       7.96050010       8.21052420      -4.12240188       0.66428802      -0.88150086       0.43103024 
Hf       7.93361334       7.21785810      -9.53430563       0.88070990       0.76773839       1.33955388 
Hf       0.23836500       0.86469617      -3.69027697       0.18136043      -0.36602873      -2.17083925 
Hf       0.14305867      -0.12828466      -8.92370333      -0.02305654       0.43298023      -0.61274931 
Hf       5.42980743       0.80960396      -3.67301307      -1.49968844       0.16013560      -0.47101111 
Hf       5.46984872      -0.09585773      -8.96964528      -1.14442605       0.48559263       0.54410570 
Hf      10.37469023       5.92860479      -3.50593301       0.09819857       0.14349200       0.18074613 
Hf       0.16520226       5.02424598      -8.90872593       0.20495371       0.35542430      -1.03864434 
Hf       5.41064835       5.83411243      -3.73229003      -0.89119001       0.99103810       0.69615819 
Hf       5.42406991       5.05873757      -8.94265500      -0.73156526      -0.17618251       0.68840817 
Hf       2.31467843       1.27232581      -1.12800119       0.28418460       0.29058762      -0.15786127 
Hf       2.41845327       0.38822988      -6.30910838       0.42290072       0.64275583      -0.10022815 
Hf       7.54152236       1.30686054      -1.09094925       0.62840556      -0.74497520      -0.34691243 
Hf       7.57315322       0.30531819      -6.30857044       1.70578839       1.01365481       0.12524673 
Hf       2.37060222       6.38638943      -0.96431629       0.05003103       0.29239855      -1.54136633 
Hf       2.49350985       5.31076038      -6.53924708       1.30874444       1.11297972      -0.09139184 
Hf       7.55081326       6.42806357      -1.05425086      -0.22472291      -0.66775959      -0.65319154 
Hf       7.65142851       5.50765787      -6.28900963      -0.46148161      -0.29408370      -0.31354214 
Hf       4.86376359       3.45971470      -1.61002729       0.14224864       0.22288249      -0.49580673 
Hf       5.00723465       2.54867493      -6.67460792      -0.67996456      -0.57746379      -1.12009364 
Hf      10.20329567       3.34673858      -1.53229745      -0.22214265       0.71288851      -0.20647166 
Hf      10.26228324       2.50621176      -6.79435963      -0.85573991      -0.32846066      -0.01025414 
Hf       4.97209343       8.62881218      -1.56712631      -0.49741650      -0.70218273       0.28893996 
Hf       5.03985779       7.73190865      -6.77832167      -0.35878761      -0.48327055      -0.38667565 
Hf      10.24246905       8.67578452      -1.54572979      -0.48039707      -0.92970817       0.16395077 
Hf      10.18655617       7.74217983      -6.85158215      -1.28477710      -0.88915941      -0.09682301 
O       1.19952652       2.29784676      -2.68204566       0.64144690       0.59759544       1.38357389 
O       1.35179421       1.41138463      -8.06929372       0.24629012       0.16418122       1.20033866 
O       6.54592793       2.34593685      -2.79472860      -0.26984283       0.44408861       1.16600813 
O       6.53671112       1.50089131      -7.97053929       0.43060073      -0.09343147       0.09648180 
O       1.33462768       7.49738640      -2.61049415       0.06299981       0.23991338      -0.29209116 
O       1.34740265       6.57862824      -7.92325033      -0.21552657       0.57505774      -0.30172845 
O       6.54940556       7.50544875      -2.67168400      -0.19683793      -0.13356540      -0.12258014 
O       6.55170057       6.61892978      -7.96332539       0.04341522      -0.11329492      -0.28891214 
O       3.97694567       1.28126274      -5.19509554       0.97527314      -0.09815081      -0.20063011 
O       3.88490449       0.50847499     -10.37569409       0.21311997      -0.10242484      -0.40545853 
O       9.13566968       1.32375751      -5.25815397      -0.03893334       0.79540119       1.44308804 
O       9.10267302       0.45697746     -10.38747144      -0.37385182       0.48389494      -0.38605519 
O       4.03474772       6.64346625      -5.29052717      -0.51721832      -0.80990543       0.96597942 
O       3.96556757       5.72009036     -10.30132873      -0.40929701      -0.35966037      -1.55086598 
O       9.16298411       6.60755675      -5.09610874       0.18752511      -0.55881422      -0.41987841 
O       9.15936569       5.72785813     -10.39674345      -0.51025261      -0.47860471      -0.07006180 
O       3.88647717       1.74231075      -2.46274872       0.45050148       0.02340914       0.67099955 
O       3.96848662       0.93854082      -7.78232261      -0.84035350       0.26177410       0.35961812 
O       9.01545210       1.89957711      -2.57252257      -0.43829926      -0.30743313       0.25026428 
O       9.09255567       1.01566779      -7.77760123      -0.63047309      -0.75948402      -0.01471488 
O       3.89887622       7.00028151      -2.56116850      -0.57379331       0.14119850       0.56730195 
O       3.89050206       6.18364128      -7.86319748      -0.20275725      -0.74225615       0.88373410 
O       9.02140875       7.03502221      -2.48041007      -0.15625792       0.23022950       0.42912770 
O       9.00903433       6.09555341      -7.74223494       0.67778871       0.00867155      -0.36789589 
O       1.14490879       1.00850269     -10.48811965       0.89409030       0.01757758      -1.39730128 
O       1.19748690       1.81243359      -5.44156486      -0.35109670       0.05500159      -0.04959998 
O       6.48556073       2.81719252      -0.11128782      -0.93309170       0.19190016      -0.19910853 
O       6.48632390       1.86901515      -5.25183472      -0.20308074       0.44917052      -1.16623936 
O       1.26902419       6.16413625     -10.49672698      -0.30090606      -0.22969479      -0.42487574 
O       1.37923103       7.01882506      -5.24504168      -0.35742246       1.20274993      -0.88621033 
O       6.42375510       8.06069227      -0.11365350       0.22275894      -0.94347998       0.15073043 
O       6.47387601       7.05556339      -5.36731690       0.68181344      -0.08203128       0.38477150 
O       3.44131714       4.67350483      -0.78251063       0.26834739      -0.47565554      -0.09262615 
O       3.34639130       3.60670724      -6.32813639       0.63479572       0.00977778      -0.03729721 
O       8.60812116       4.66565298      -0.82761957       0.45184645      -0.23527516      -0.45068957 
O       8.73509742       3.70307002      -6.10106775      -0.76846578       0.70207275       0.39610575 
O       3.31223507       9.78245014      -0.85781662       1.08624531      -0.39634661      -0.32238434 
O       3.55737195       8.93227120      -6.05230240      -0.69592125       0.23034421       0.36178487 
O       8.68803551       9.80169449      -0.86795105      -0.62405581       0.56427187       0.29090532 
O       8.64667975       8.81142866      -5.96898792       0.11045697       0.97672970      -1.36012949 
O       0.87071358       0.03989875      -1.88289087       0.47967440      -0.13217545       0.73846538 
O       0.87245146      -0.91219267      -7.05858806       0.30157921       0.17512888       0.29935533 
O       6.12900228      -0.01515157      -1.79223103      -0.16425555       0.72124060       0.10889762 
O       6.13938831      -0.80119481      -6.99412171      -1.18870000      -1.14919233      -0.99471546 
O       0.90379867       5.07227073      -1.90377874       0.45588744       0.30932691       1.37743597 
O       0.87901054       4.31481619      -7.14329502      -0.56105044      -1.10184173       0.98037623 
O       6.05166856       5.17600392      -1.77574017       0.04362447      -0.01873349       0.11665281 
O       6.09724517       4.27770478      -6.99813367       0.04025180       0.37584976       0.29840659 
O       1.82577723      -0.33761717      -4.44778498      -0.29300009      -1.33656046       0.70133479 
O       1.60388272      -1.34672611      -9.68329423       0.16846908       0.52228819      -0.51531666 
O       6.95406859      -0.39319034      -4.33557730      -0.02444334       0.31389322      -0.71966314 
O       6.88911543      -1.29953341      -9.70882850       0.32803852      -0.40882229      -0.13556996 
O       1.70102792       5.72106959      -4.64980332       0.14254573      -1.16409427       0.22339634 
O       1.75630544       3.80504726      -9.63764556      -0.62281891       0.58347913      -0.17459696 
O       7.05418386       4.80156692      -4.28341869       0.30872533      -0.59990956      -0.90720293 
O       6.92155954       3.90656836      -9.65758733       0.23333983       0.17706776      -0.23316655 
O       4.26919870       4.23099242      -3.40235156       0.68829861       0.19582621      -0.02407073 
O       4.40879044       3.21525230      -8.73976532      -0.05336642       0.74368137       0.23068788 
O       9.65111632       4.09248340      -3.54238159      -0.45662482       0.05202235       0.15515641 
O       9.51971556       3.24272729      -8.77192619       0.70174724       1.02995004       0.27462074 
O       4.48021935       9.27044213      -3.43600898      -0.98237085       0.18930080      -0.57029585 
O       4.30523972       8.45808968      -8.63061058       0.50725800       1.01566287      -0.66981339 
O       9.55060227       9.34018637      -3.44409916       0.03945509      -0.13128443       0.13062963 
O       9.45880942       8.40656158      -8.73306447       0.15603522      -0.10990371       1.01177120 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012151693825290402 -0.0023614941891430203 -0.0005830899339509324 -0.0023614941891430203 -0.014816824507242244 -0.0006375283453393405 -0.0005830899339509324 -0.0006375283453393405 -0.01588884957470477" pbc="T T T" energy=-946.55424819 free_energy=-946.59025871 config_type=crystal 
Hf       2.78568142       2.01522043      -9.35320676       0.03922992       1.43627504      -0.77248008 
Hf       7.99673220       3.03333152      -4.17027730       0.14755592      -0.94859068      -0.14859097 
Hf       8.00701267       2.06285307      -9.44181836       0.39876322       0.60456698       0.29989423 
Hf       2.94710494       8.20903037      -4.15764783      -1.26678927       0.19584545       0.51275821 
Hf       2.83390475       7.32925242      -9.39810569      -0.62920507       0.48350379      -0.92210180 
Hf       7.98857467       8.15718584      -4.13052377       0.38777470       0.35967427      -0.51242799 
Hf       8.00329003       7.15469103      -9.39632374       0.14105811       1.52483694      -0.73864706 
Hf       0.27477218       0.88886305      -3.74437987       0.54803888      -0.56001866       0.20293077 
Hf       0.18003098      -0.12793924      -9.00262489      -0.06220882       0.03161248       0.25266214 
Hf       5.33543415       0.86398797      -3.76987760       0.26707916       0.32612034       0.35865411 
Hf       5.45424821      -0.06658986      -9.02264404      -0.30231609       0.27757910       0.65563841 
Hf       0.00790961       5.89969614      -3.43453460      -0.61469601       0.11080587      -0.00783285 
Hf       0.22034844       5.02775184      -8.95491065       0.59394481      -0.13667289       0.12008530 
Hf       5.35404005       5.96625909      -3.66979474       0.90532822      -1.05646126      -0.01667235 
Hf       5.44038153       5.01014759      -8.90063764      -0.57116375      -0.56548190      -0.26328238 
Hf       2.35791609       1.35771623      -1.08816019       0.82521931      -1.34298956      -0.90226946 
Hf       2.42314480       0.39817213      -6.32837213      -0.48815564      -0.47877675       0.51573498 
Hf       7.51795042       1.20387430      -1.10761084       1.66287095       0.53405407      -0.14773881 
Hf       7.53305915       0.28904852      -6.31870623       0.04337117       1.36604799      -0.43657241 
Hf       2.40464270       6.34982787      -1.02727801      -0.01336078       0.56472664      -0.49985426 
Hf       2.57672209       5.36522635      -6.44965861      -1.13984584      -0.96389977      -0.25384526 
Hf       7.51786085       6.38462102      -1.08570116      -0.23465961      -0.22065617       0.91612159 
Hf       7.58511817       5.50376734      -6.31107472       0.14384199      -0.74676036       0.49282886 
Hf       4.98324897       3.47933501      -1.65929866      -0.70563754      -0.21854335       0.38357141 
Hf       4.95393950       2.52619638      -6.71608313       0.29720301       0.01752801       0.41506915 
Hf      10.17749573       3.40489258      -1.51354634      -0.08418262      -1.05423876      -0.59227265 
Hf      10.15258251       2.48827357      -6.79276113       0.28997288       0.28217782       0.80102368 
Hf       5.00921774       8.65314182      -1.52133421      -0.65641894       0.25528212       0.14798457 
Hf       4.95959629       7.67295671      -6.82377471       1.11218101       1.81140533       0.85066222 
Hf      10.21517634       8.63860247      -1.54493826       0.38802878       0.50320474       0.56986708 
Hf      10.08063013       7.77436218      -6.90059731       1.37919789      -0.12605762       1.24694693 
O       1.35578835       2.28975213      -2.62099505      -0.82804859       0.54361140       0.01356394 
O       1.32037770       1.32186772      -7.97569582       0.61954186       1.28853704      -0.58395914 
O       6.56534001       2.33044981      -2.79045801      -0.14887052       0.75505056       0.40423593 
O       6.60580533       1.58624819      -7.92468660      -0.39555506      -0.86794230      -0.76071761 
O       1.27203259       7.48642101      -2.70077367       0.38917895      -0.24733344      -0.40219836 
O       1.38451346       6.64055894      -8.01461928      -0.51295198      -0.91871637      -0.31153277 
O       6.47289964       7.52350753      -2.70489042       1.05375817       0.37971677      -0.12196483 
O       6.58189363       6.63775694      -7.91084095      -0.81553590      -0.33838932      -0.62237281 
O       4.02703126       1.18307599      -5.29423871       0.75918796       0.43061447       0.01106060 
O       3.83989384       0.46304044     -10.29350779       0.13256466       0.69286657      -0.52730308 
O       9.14293936       1.38977061      -5.15369468      -0.64099846       0.22415505      -0.03562308 
O       9.02232902       0.46387198     -10.42379191       0.94498753       0.42030088       0.47620369 
O       4.04922878       6.51482517      -5.15921620      -1.48047249       0.26555193      -0.50844124 
O       3.91093748       5.77919521     -10.30544580       0.38730759      -0.92861126      -0.30884533 
O       9.24771166       6.70581291      -5.14128183      -0.47066597      -0.14875160       0.36386635 
O       9.20190283       5.69259628     -10.36855369      -0.93148919      -0.27086067       0.06269102 
O       3.98658153       1.81560889      -2.40720472       0.03145143      -0.65443310      -0.00334925 
O       3.86992730       1.10131210      -7.84605654       0.16064983      -1.06021910       0.72971727 
O       9.04898283       1.87386660      -2.51470530      -0.13966822       0.02526485       0.11684687 
O       9.14133021       0.95318035      -7.82032349      -1.21990671       0.04139107       0.13917434 
O       3.87410607       7.06968782      -2.49466945      -0.27078130      -0.12587043       0.03254903 
O       3.85416491       6.23372416      -7.78005690       0.66233646      -0.46473448      -0.27010362 
O       8.95860493       6.98218554      -2.47975347       0.27009815       0.17100346      -0.17722278 
O       9.01927760       6.15470568      -7.75144679       0.28949855      -0.53926679      -0.38091396 
O       1.15203341       2.81513272      -0.08993972       0.61091366       0.39881343       0.64620747 
O       1.22920536       1.75112296      -5.39399532      -0.81660823       0.77241290      -0.87546571 
O       6.43322586       2.84956284      -0.24249673       0.09999347      -0.33947202       1.39558175 
O       6.49247890       1.99720546      -5.28005294      -0.44792039      -0.66266465      -0.68842678 
O       1.26105971       7.92805198      -0.15764749       0.42422543       0.16662569       0.80004095 
O       1.45504933       7.32038218      -5.55774774       0.07276101      -0.37703183       0.47830010 
O       6.39390545       7.99960145      -0.06671190       1.02321794      -0.36152061       0.37060069 
O       6.43765025       7.03632813      -5.31098347       0.54267686       0.66117520      -0.47683798 
O       3.52561100       4.64790554      -0.84699399      -0.53001990      -0.17857009       1.33037746 
O       3.51696960       3.72624126      -6.05905911      -0.34961496       0.65669478       0.14208856 
O       8.69099966       4.63499672      -0.80785043      -0.36187163       0.64162973      -0.80689268 
O       8.64184463       3.72521481      -6.03763529       0.14837293       0.24861200      -0.89450471 
O       3.48371193       9.81803913      -0.87100504      -0.16804805       0.32118838       0.60200301 
O       3.56405353       8.91234983      -6.00955158       0.14335664      -0.39065310      -0.11509443 
O       8.62841382       9.71271727      -0.82767228      -0.30653086       0.44933152       0.42747203 
O       8.63781018       8.95967810      -6.15039939       0.28909626      -0.94024753       0.63348131 
O       0.88534862       0.08387077      -1.81433203       0.02631438      -0.71553087       0.28433485 
O       0.92900864      -0.90613308      -7.06838615      -0.25053761      -0.48081463      -0.28493676 
O       6.21267740       0.04753717      -1.93604672      -1.52345808      -1.65836268       0.30965256 
O       6.04125489      -0.83640663      -7.17265234       0.48775137       0.11554675       0.90879270 
O       0.97298047       5.07713271      -1.79868479      -0.55162159       0.18777645      -0.56965110 
O       0.79320426       4.23696144      -6.96897859       1.32176814       0.82053307      -0.68764689 
O       5.96977402       5.30743848      -1.66932704       0.51751822      -0.30211684      -0.75927204 
O       6.10660309       4.27040372      -7.03385025      -0.03213807       0.68086804      -0.23756537 
O       1.76839943      -0.42711814      -4.43766504      -0.00101168      -0.51588865       0.40574505 
O       1.63189890      -1.30714645      -9.76261575       0.47168535      -0.40846503       0.13484965 
O       6.91446421      -0.49013943      -4.51223967      -0.82508227       0.87897591       0.26571814 
O       6.94437818      -1.26845249      -9.62761036       0.05686830      -0.49728730      -0.84086940 
O       1.38174216       5.97293168      -4.89401878       0.66531381      -0.01531993      -0.31137428 
O       1.67293942       3.80623851      -9.72361700       0.36648106      -0.25788208       0.51455458 
O       7.06752209       4.84488111      -4.40339743      -0.52617861      -0.03295985       1.02560031 
O       6.86789948       3.83361917      -9.71242915       0.18432532      -0.00336933       0.35504351 
O       4.40647642       4.22160930      -3.39595807       0.35858810       0.80019307      -0.76458457 
O       4.17305584       3.37435990      -8.52163751       0.40594622       0.91844571      -1.18061242 
O       9.70764618       4.01309650      -3.60426710       0.61493388       1.21772993       1.04739961 
O       9.52589529       3.31681053      -8.79284042      -0.43071438      -0.58748270       0.73380775 
O       4.36370311       9.37493529      -3.36962345      -0.08973417      -0.00357491      -0.62975557 
O       4.28702761       8.60985160      -8.65722379      -0.74597385      -1.46407207      -0.23408756 
O       9.57261193       9.34997177      -3.34337566      -1.03888600      -0.26246202      -1.56271834 
O       9.49073651       8.45364567      -8.70325352      -0.60720806      -0.37751089      -0.63398298 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014370344630608656 -0.0009076087561893852 0.0045239235711608755 -0.0009076087561893852 -0.01764374245823473 -0.00030676546743928126 0.0045239235711608755 -0.00030676546743928126 -0.019145690657178263" pbc="T T T" energy=-946.59329413 free_energy=-946.63187145 config_type=crystal 
Hf       2.78444653       2.06467186      -9.39812228       0.37836466      -0.49674520       0.10384344 
Hf       7.92321307       3.03335388      -4.21436495       0.53444781      -0.40089352       0.50510303 
Hf       7.96406376       2.15837064      -9.41227024       0.86496796      -1.54549477       0.10438975 
Hf       2.89912442       8.20570248      -4.14474156      -0.66374417      -0.07230911       0.04821691 
Hf       2.80442426       7.32257309      -9.47228802       0.17466071      -0.33270277       0.68115161 
Hf       8.00038034       8.18837819      -4.06063030      -0.00171797       0.74447718      -0.88237620 
Hf       7.97443546       7.19417578      -9.48762475       0.34780760      -0.08348988       1.00162654 
Hf       0.22070504       0.84824030      -3.76348411       0.07310594      -0.12521579       0.02792386 
Hf       0.19994928      -0.14271857      -8.97957673       0.24447052       1.09430637       0.23652434 
Hf       5.33441579       0.92092638      -3.83375896      -0.44189788      -0.59968134       1.63165724 
Hf       5.49924816      -0.04040829      -8.97277802      -2.02447354      -1.76583639      -1.00144250 
Hf       0.03172261       5.90170591      -3.50460773      -0.93262630       0.77518797       1.52993967 
Hf       0.27176585       5.00469847      -8.87622493      -1.21469366      -0.57161607      -1.45799504 
Hf       5.40650595       6.00385563      -3.67931457      -0.17820410      -1.33428432      -0.56051285 
Hf       5.39652887       4.98199434      -8.92749058       0.05125334       0.18417028       0.22470304 
Hf       2.41070544       1.27420227      -1.10125295      -0.38300101       0.44969228      -0.53909769 
Hf       2.43490101       0.40529738      -6.30264086      -1.13087652       0.45851947      -0.22369503 
Hf       7.61513989       1.17421876      -1.10766450      -1.08803076       1.02455575       0.17758817 
Hf       7.50513731       0.30644978      -6.33959358       0.46796033       0.20750126       0.78679485 
Hf       2.41214439       6.31846667      -1.00749396      -0.25531582       0.63539502      -1.21787255 
Hf       2.56971363       5.37959257      -6.56516756       0.21691846      -1.34021495       0.83178707 
Hf       7.53906776       6.34729920      -0.99134469       0.65652330       0.16697135      -1.09360476 
Hf       7.62364414       5.52836051      -6.30899802      -1.08159519      -0.09115708      -0.32554388 
Hf       4.93964869       3.45677970      -1.65861129       0.19431458      -0.49857652       0.80464506 
Hf       4.90214960       2.58815971      -6.70585293       0.38249638      -0.75907888      -1.32022158 
Hf      10.16265029       3.43297617      -1.52620795       0.65692164      -1.09540482       0.08494146 
Hf      10.13416259       2.49017648      -6.75536949       0.39102675      -0.05193515      -0.25811973 
Hf       4.97178265       8.58897887      -1.52410678       0.79811505       0.34334012      -0.34709948 
Hf       4.99912471       7.72560619      -6.78018479      -0.89204840       0.06460203      -0.46103351 
Hf      10.24198154       8.67928951      -1.50834939       0.40445342      -1.10305730      -0.71430155 
Hf      10.11868708       7.73346360      -6.80594199      -0.05785896       0.47934361      -0.88207969 
O       1.14215817       2.22845470      -2.55264496       0.70527736       0.58307481       0.19708862 
O       1.28508997       1.45371859      -7.98813712       0.03818629      -0.04063958       0.14906979 
O       6.50570263       2.40948990      -2.80002940      -0.00581331      -0.29932285       0.19451801 
O       6.43909180       1.43378554      -8.09796368       1.42365568       1.49703016       2.02894450 
O       1.44987236       7.46735254      -2.69279837      -0.61350618       0.01195739      -0.21234236 
O       1.34458698       6.51006019      -7.96190109       0.53989893       1.05571362      -0.41928643 
O       6.56574596       7.58471947      -2.65092403      -0.01798992      -0.74473714      -0.31600450 
O       6.58360314       6.63621103      -7.98405103      -0.18055321      -0.30289147       0.02759980 
O       3.97882060       1.34183561      -5.27029601       0.31387488      -0.27206513       0.25471676 
O       4.04814195       0.56007634     -10.36783303      -1.38095517      -0.05048124      -0.19058996 
O       9.03380396       1.44910945      -5.14972882      -0.24427838       0.20115302       0.18064443 
O       9.18373716       0.60651360     -10.43609020      -0.12827680      -0.85163258       0.84235201 
O       3.94425926       6.61712968      -5.17893094      -0.30646678      -0.03057773      -0.05965860 
O       3.98413077       5.51621355     -10.42095707      -0.68939333       1.34721242       0.17175507 
O       9.16681667       6.55523124      -5.07966209      -0.40534802       0.60574913      -0.14841013 
O       9.09471613       5.58266824     -10.37678846      -0.11483081       0.42382256       0.57846739 
O       3.97519117       1.68935876      -2.33373549       0.18203189       0.16179240      -0.62317142 
O       3.87651194       0.94197582      -7.81947368      -0.65258956       0.42376297       0.37688027 
O       8.97431640       1.83463066      -2.49889268       0.36618683       0.33690082      -0.54881116 
O       8.94425603       0.90185512      -7.68852225       0.78254410       0.33834459      -0.82311228 
O       3.95407560       6.98013421      -2.52443955      -0.30925919       0.56910344       0.20955687 
O       3.93220901       6.08218948      -7.80642250       0.39124533       0.80646486      -0.85402151 
O       9.08814603       7.11076883      -2.42077987      -0.26638707      -0.71589373      -0.61266356 
O       9.09581417       6.05249525      -7.72206626       0.19151755       0.83342084       0.03988582 
O       1.31474284       2.82032843      -0.02425215      -0.27442861      -0.26429152      -0.78907281 
O       1.11106084       1.77498960      -5.36247939       0.11541312       0.44033423      -0.81132468 
O       6.49834744       2.75627979      -0.01550579       0.62160767       0.25178660      -1.78977337 
O       6.45008660       1.97648698      -5.39343101       0.07872058      -0.05264831      -0.28208784 
O       1.16967458       7.89404756      -0.09156248       1.00596240       0.40780164       0.38164886 
O       1.31780984       7.20563529      -5.43248374       0.57358658      -0.11699646       0.37390018 
O       6.43568191       7.88955548      -0.07079757      -0.29622318       0.41533323       0.01320071 
O       6.38913121       7.18018072      -5.40479748       1.46369304      -0.75132291       1.36913018 
O       3.50833173       4.65753594      -0.78185329       0.16181666      -0.42061775      -0.11245121 
O       3.59467114       3.79327380      -6.01216507      -1.10761130       1.05033661       0.02588563 
O       8.63581919       4.62068672      -0.83180867      -0.08911693       0.75446282       0.07828136 
O       8.70220050       3.83828848      -6.08006091       0.12524195      -0.52885995       0.20084014 
O       3.47921688       9.75330503      -0.80809278      -0.23799006      -0.20401980       0.25420236 
O       3.52222616       9.01976046      -6.05603074       0.45381302      -1.46318003       0.36746236 
O       8.69507099       9.72492522      -0.83739383      -0.14009088       0.60839332       0.12837798 
O       8.65830524       8.86901081      -5.99510498      -0.06999847       0.26264546      -0.58925802 
O       0.99634222      -0.02754436      -1.92012448       0.12669314      -0.37002504       0.56239217 
O       1.01886859      -0.89800119      -7.19375222      -1.16115765      -1.25163462       0.70971350 
O       6.16193297      -0.00667220      -1.75437579      -0.85304884      -0.32789409      -0.79547227 
O       6.06234781      -0.87635534      -7.04520706       0.42488199       0.35533807      -0.37381594 
O       0.99975377       5.07885907      -1.89324109      -0.71454909      -0.40881131      -0.13426529 
O       1.12601476       4.11706451      -7.23421570      -0.62628746      -0.43720357       1.16835259 
O       6.15495921       5.11014255      -1.85649776      -0.00288094       0.79534214       0.30594965 
O       6.03432882       4.30875690      -7.02131140       0.73992195       0.27064537      -0.07116515 
O       1.62711376      -0.48551605      -4.48121653       0.77229444      -0.42699657      -0.18366835 
O       1.61815981      -1.33769064      -9.74699865       0.81300374      -0.71663421      -0.51276936 
O       6.84109720      -0.36288204      -4.37347370       0.77129831      -0.36729674      -0.60395745 
O       6.85343598      -1.40221101      -9.78344104       0.49678078      -0.20917672       0.82371476 
O       1.41283761       5.78238360      -4.92838258       0.12172753       0.17820048      -0.29755370 
O       1.64055807       3.77191042      -9.76657447       0.22537078      -0.13046215       0.06400680 
O       6.98819250       4.85645668      -4.39898550      -0.03227522      -0.05147289      -0.33056371 
O       6.88985262       3.80620135      -9.64553990      -0.17838992       0.25884634      -0.26016158 
O       4.40809273       4.18321446      -3.43741575       0.17054311       1.14575355      -0.18604709 
O       4.23205651       3.28797563      -8.68997616       0.68206619       0.91341203       0.64922072 
O       9.52183175       4.11005841      -3.48784407       0.64763135       0.63323659       0.55337880 
O       9.48814610       3.26891541      -8.63212603      -0.01566839       0.11349784      -0.04834871 
O       4.35758437       9.36554642      -3.50815304       0.17355866       0.04920601       1.05099684 
O       4.25435647       8.45376055      -8.64382032      -0.08255334      -0.04258843      -0.46422443 
O       9.54438108       9.36041725      -3.52166079      -0.31962634      -0.33820097       0.82634047 
O       9.52547500       8.40542321      -8.75018263      -0.51051188      -0.36142573       0.68326071 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017532085061866858 -0.005099924005831555 -0.00012759507743779455 -0.005099924005831555 -0.024045024281258067 0.0012867085583676994 -0.00012759507743779455 0.0012867085583676994 -0.01800816740516003" pbc="T T T" energy=-946.28825225 free_energy=-946.32253493 config_type=crystal 
Hf       2.76646197       2.10533195      -9.36312005       0.72175132      -1.03194435      -0.53405187 
Hf       7.96894148       2.95960021      -4.11190182       0.48603233       0.22516906      -0.28692544 
Hf       8.03802417       1.98801184      -9.42685986      -0.55019590       1.63075229       0.12240386 
Hf       2.90682197       8.18845134      -4.14146023      -1.25865663       0.23953333      -0.55557948 
Hf       2.82066346       7.39014702      -9.48400236      -0.85825792      -1.04642601       1.00892669 
Hf       8.02648263       8.27388455      -4.13131016      -0.83038320       0.92391194       0.01154311 
Hf       7.96937424       7.25851398      -9.30836853       0.51136854       0.46019841      -0.60480485 
Hf       0.19694035       0.84553377      -3.73448528       1.05708150      -0.59211668      -0.52892423 
Hf       0.17045601      -0.09648504      -8.88536643       1.28254847       0.04903136      -0.07193491 
Hf       5.27552163       0.88626869      -3.74675301       0.68450923       0.35448652      -0.39126454 
Hf       5.38601109      -0.11184206      -9.05330449       0.25312980       1.15675731       1.18859314 
Hf       0.00962630       5.94413903      -3.45990065      -0.11797346       1.09920640       0.66910036 
Hf       0.17103122       5.01258959      -9.01619364       0.21293548      -0.38831101       0.43537116 
Hf       5.39718305       5.85853375      -3.71821683      -0.31675800       0.84054108      -0.34794559 
Hf       5.43764961       5.10428901      -9.00081910      -0.44998729      -1.45240889      -0.16007039 
Hf       2.43505915       1.19161165      -1.24004264      -0.15362339       1.93751537       1.50137356 
Hf       2.43983920       0.39036543      -6.29616515      -1.24681977       0.89010988       0.29356620 
Hf       7.51935695       1.18942154      -1.06797019       0.89670634      -0.04351427      -0.54774704 
Hf       7.59629200       0.42113374      -6.29594453      -0.82380777      -0.11067514      -0.44564610 
Hf       2.39248678       6.36114922      -1.07273703      -0.01232596      -0.39677291       0.02104531 
Hf       2.57257532       5.32004666      -6.60548498       0.08648401       0.41710929       0.28818100 
Hf       7.56723595       6.33153292      -1.16160863      -0.72225147      -0.20245577       2.19381024 
Hf       7.48055440       5.45478510      -6.28649852       0.87202715      -0.40293898      -0.86829719 
Hf       4.92427064       3.43298638      -1.64724840      -0.07557585       0.33086590       0.57219630 
Hf       5.02769854       2.49570204      -6.75138756      -0.23965732       0.37920340      -0.65391186 
Hf      10.22033388       3.32326972      -1.53021749       0.77005507       0.21995443       0.75415675 
Hf      10.21337498       2.62220446      -6.69386903      -0.33741595      -0.53237039      -0.97104199 
Hf       5.01507558       8.59951400      -1.57036490      -0.46060449      -0.33740827       0.66202116 
Hf       5.02638906       7.80790590      -6.74987558       0.39968541      -0.49446073      -1.00110603 
Hf      10.21710052       8.67463078      -1.45237182      -0.47045553       0.10416353      -0.52061508 
Hf      10.09685530       7.70136111      -6.72312723       0.24438003       0.70734892      -1.63583758 
O       1.22482262       2.17994015      -2.64024137       0.13861183       1.15382683       0.37602134 
O       1.36309251       1.47719156      -7.88913267      -0.67817424      -0.09195136      -0.52929109 
O       6.47751906       2.36105936      -2.77884531       0.58439042       0.01600739       0.82457016 
O       6.50848785       1.46304192      -7.90008079       0.44279936      -0.02753386      -1.30375735 
O       1.24791391       7.52105409      -2.86406533       0.35313692      -0.07205339       0.77262996 
O       1.25780319       6.54057859      -8.19623026       0.75142696       0.73877852       0.80609294 
O       6.47481571       7.58870727      -2.70374197       0.65079173      -0.66491755      -0.75946305 
O       6.52094467       6.58869820      -7.99105261      -0.57927540       0.13382715       0.28387630 
O       4.15973673       1.24596500      -5.36284376      -0.57421341      -0.23215995       0.49498937 
O       3.99700694       0.58408809     -10.44539267      -0.43012596      -0.64541821       0.04254866 
O       9.06961806       1.48143204      -5.09698469       0.47223227      -0.32796971       0.40271206 
O       9.22601735       0.52107071     -10.42422989      -0.95780209      -0.11000441       0.73786489 
O       4.11033566       6.47695672      -5.25794774      -0.79533602       0.93377767       0.00411705 
O       3.84106171       5.68015127     -10.40937345       0.80056134      -0.25807648      -0.19968779 
O       9.20506241       6.80279708      -5.04610526       0.55709350      -1.38820503       0.83750457 
O       9.05276781       5.72117583     -10.19530443      -0.27849532      -0.22110441      -1.16144761 
O       3.91687813       1.83557943      -2.52023344      -0.01249573      -0.39245923       0.54569910 
O       3.81680972       0.99679524      -7.80789447       0.53357691      -0.23851648      -0.47576522 
O       9.09964092       1.81997322      -2.46780800      -1.51533501       0.11426124      -0.37190026 
O       9.04214415       0.96641465      -7.67348236       0.61509724       0.38275865      -1.02558110 
O       3.71859504       7.14486520      -2.55649605       1.14767845      -0.86196522       0.38264787 
O       3.86118709       6.21750292      -7.93189494       0.36771628      -0.11226948       0.76516034 
O       9.03832104       7.14884424      -2.38641324      -0.28588912      -1.13414576      -0.43980312 
O       8.95563590       6.19796809      -7.64429525       0.37324760      -0.32949041       0.24020000 
O       1.28627426       2.73901737      -0.02971792       0.20953891       0.72362936      -0.74522006 
O       1.14761016       1.88431248      -5.39744518       0.38608660      -0.88490202       0.47404087 
O       6.54495633       2.77156889      -0.10363479      -0.58343375       0.31485198      -0.40272942 
O       6.58005714       2.07309295      -5.36062467      -0.98415178      -0.08184889      -0.15644049 
O       1.16129418       7.80869014      -0.16268546       0.93835378       0.07498659      -0.25859450 
O       1.50548797       7.12599271      -5.58886150       0.38215436      -0.66948975       0.62905842 
O       6.44743968       7.94510816      -0.05342099      -0.16963750      -0.18858241      -0.57288317 
O       6.59745330       7.14741373      -5.44514272      -0.41545396       0.05729111       0.79253418 
O       3.59875878       4.66235040      -0.67033729      -0.81960089       1.23598052      -0.74769327 
O       3.53836197       3.71871732      -6.13036448      -0.06346509       0.23291337      -0.46393603 
O       8.66466525       4.61844130      -0.88096705       0.02167603       0.01183097      -0.02449090 
O       8.64256571       3.73240922      -6.06072082      -0.09952465       1.02365726       0.49984018 
O       3.47618146       9.76585853      -0.81626634       0.27898921       0.25204837      -0.46206561 
O       3.59848521       8.99242141      -5.99508335      -0.07466067      -0.84851190      -0.05055313 
O       8.68955260       9.80636388      -0.78493973      -0.00035997       0.08916472       0.65647160 
O       8.70436490       8.99887872      -6.00279886       0.14345365       0.05535216       0.30083323 
O       1.06064402      -0.08322373      -1.83536449      -0.91662100      -0.70718546      -0.20945031 
O       0.93179979      -0.93682920      -7.10516382       0.36657108      -0.17941210       0.78958848 
O       6.12386490      -0.04835428      -1.72288212      -0.31780970       0.68371071      -0.65013960 
O       6.21121393      -0.87579612      -7.16654426      -0.50576235      -0.30276794       0.52361975 
O       0.87638564       5.11938773      -1.70507659       0.16695509       0.36330361      -1.20442232 
O       0.85965238       4.35007644      -7.03471361      -0.11376815      -0.55104319      -0.28531818 
O       6.08232284       5.19190252      -1.89671510       0.45552843      -0.11043648       0.81896268 
O       6.11458460       4.25392367      -7.10020471      -0.00808406       0.67113413      -0.21677559 
O       1.67486475      -0.45149400      -4.45118076       0.52849511      -0.18672153      -0.17995779 
O       1.66409136      -1.24597390      -9.66913986       0.56106365      -0.98597405      -0.55284482 
O       6.87709271      -0.22593126      -4.44528384       0.70465272      -1.61066690       0.42877323 
O       6.89017212      -1.27789558      -9.69005786       0.48786521      -0.73961524      -0.14466669 
O       1.52388711       5.76927160      -4.83686105       0.08369400       0.56623445      -0.44963662 
O       1.59604397       3.68762677      -9.72193764       0.26912414       1.12385897       0.21249939 
O       6.89279712       4.71589779      -4.38926700       0.50997419       0.36204126      -0.51818423 
O       6.80461126       3.68091639      -9.82138207       0.24907246       0.69579836       0.45825859 
O       4.28491101       4.31382533      -3.36058801      -0.40881394      -0.21024201       0.04781975 
O       4.33272610       3.33968901      -8.69572996      -0.44034999       0.27391010       0.33994580 
O       9.58031706       4.18452455      -3.45394629      -0.50444648      -0.99010064      -0.03495154 
O       9.48878157       3.28741405      -8.74568481      -0.34358967      -0.52544494       0.50482655 
O       4.33862062       9.43045534      -3.44926765      -0.33601051      -0.84233655       0.50665722 
O       4.32301066       8.49950353      -8.71665563      -0.09697707      -0.05585556       0.35951640 
O       9.54610784       9.34538037      -3.32351370      -0.51404872       0.67967985      -0.88985649 
O       9.44828550       8.48981963      -8.60335274      -0.25498849      -0.13116028      -0.00918830 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013798347668412064 0.002038247598675733 0.0002543048467381556 0.002038247598675733 -0.0201954540653849 7.954769676788932e-05 0.0002543048467381556 7.954769676788932e-05 -0.02087944231348005" pbc="T T T" energy=-946.95200413 free_energy=-946.98656265 config_type=crystal 
Hf       2.84333633       2.10236886      -9.40198818      -0.83435960       0.04897294       0.71984087 
Hf       7.93269972       2.99699505      -4.10843589       0.52180913      -0.27259953      -0.06102037 
Hf       8.03694139       2.12308307      -9.46883868       0.40885895      -0.00205896       1.22518715 
Hf       2.88174873       8.09430511      -4.18166981      -0.35043367       0.99758332       0.98817373 
Hf       2.83279527       7.31007546      -9.47148168      -0.45303981      -0.04505685       0.34668787 
Hf       7.96394573       8.23136053      -4.14759793       0.08756143       0.74646494      -0.48026721 
Hf       7.93998311       7.27101512      -9.38155761       1.15694385      -0.84910475       0.10821503 
Hf       0.26030671       0.85619814      -3.73435182       0.06095717      -0.69364537      -0.01933225 
Hf       0.20071276      -0.12187761      -8.87594425      -0.09410359       0.39742439      -0.63517144 
Hf       5.27263094       0.85041226      -3.67803371       0.19052223       0.38488948      -1.21102237 
Hf       5.42316512      -0.00768824      -9.00703839      -0.08114735      -0.84910733       0.55808319 
Hf       0.00103757       5.97707129      -3.42741447      -0.70889097      -0.47891129      -1.13046336 
Hf       0.18158433       5.01626982      -8.94376512       0.11706651       0.47853550      -0.30261323 
Hf       5.35293286       5.94610427      -3.77531040       0.98879818      -0.75377454       0.84781753 
Hf       5.45730919       5.07293794      -8.97701869      -0.63598651      -0.00932956       0.17840713 
Hf       2.38736229       1.34400518      -1.06989547      -0.28936111      -0.86307012      -1.11161767 
Hf       2.45416908       0.40201378      -6.33557952      -0.79963547       0.21335607       0.63761804 
Hf       7.58678228       1.16589910      -1.06026276      -0.47120828       1.15794644      -0.35251130 
Hf       7.57092482       0.38259419      -6.28258485       0.04431854       0.19217683      -0.38017046 
Hf       2.32333885       6.25252004      -1.06691257       1.46634557       1.72658218       0.42105253 
Hf       2.54761700       5.31357517      -6.60787691      -0.40959787      -0.24697362       0.54506405 
Hf       7.56108926       6.28986859      -1.12315685       0.22919985       1.04749124       0.99386974 
Hf       7.56107357       5.42053160      -6.27962222       0.39349862       0.21428679      -0.80073486 
Hf       4.94399568       3.53638439      -1.64156989       0.10914240      -1.73618936      -0.54351691 
Hf       4.98794839       2.49809415      -6.81627929       0.45562770      -0.00296411       1.29433397 
Hf      10.25848870       3.33674811      -1.53038844      -0.87734683       0.06379777       0.13586089 
Hf      10.19545037       2.57238445      -6.74039114      -0.49808589      -0.71616891      -0.31686220 
Hf       4.98102908       8.61792257      -1.52663721       0.19121617      -0.32378695      -0.10103337 
Hf       4.97353124       7.78279898      -6.79735555       0.54950227       0.12140803      -0.10953707 
Hf      10.16439409       8.61999380      -1.48657748       0.62793626       1.13902353       0.65122662 
Hf      10.18304405       7.71269038      -6.82299945      -0.64430725      -0.39723187       0.04982169 
O       1.24616803       2.29164278      -2.64189773       0.10423327       0.10608472       0.21656979 
O       1.38523891       1.40579167      -7.97898754       0.01945146       0.24805742      -0.31078452 
O       6.46023241       2.37063743      -2.79213222       0.52913374       0.37889007       0.47695514 
O       6.57567389       1.48568470      -8.06037684      -0.32916866       0.52775758       0.33411515 
O       1.27800732       7.46341171      -2.70232649       0.59199929       0.19186245       0.34146495 
O       1.38837730       6.54051117      -8.05495381      -0.15597202       0.23361390       0.77366129 
O       6.57970044       7.45637064      -2.76352915      -0.44100843       0.31838796       0.06841358 
O       6.49333901       6.71529722      -8.00286524       0.07005207      -0.79524711       0.15135403 
O       4.02036495       1.21711555      -5.27899123      -0.12356786       0.01689287      -0.08678968 
O       3.86640935       0.56733198     -10.36668900       0.68273515      -0.23250602       0.15203624 
O       9.02164731       1.48621369      -5.07215680       0.47721675      -0.14371938       0.12900840 
O       9.12236595       0.52330258     -10.30102947       0.27360353      -0.28728541      -0.67940590 
O       4.00967313       6.60722327      -5.18295697      -0.73230497      -0.41234046      -0.46552244 
O       3.98869149       5.78086249     -10.37270583      -0.09017744      -0.59574528      -0.27106753 
O       9.23662210       6.71727746      -5.16244734      -0.20738333      -0.55102826       1.09092363 
O       9.17057276       5.59101636     -10.38466936      -0.31647003       0.73123743      -0.38868650 
O       3.95376274       1.70918711      -2.37679250      -0.31779759       0.75598586       0.32429140 
O       3.90472055       1.05946727      -7.80696171      -0.35173041      -0.96553819      -0.63040168 
O       8.97981017       1.92056241      -2.49804990       0.12309533      -0.22556194       0.56558400 
O       9.05308554       0.98565585      -7.68987210       0.34971067       0.07152167      -0.33280742 
O       3.98220410       6.89997151      -2.46107419      -1.39582223       0.67389648       0.02976087 
O       3.90222834       6.13548189      -7.83735512       0.60967810       0.49233661       0.01365930 
O       9.00788589       7.10841175      -2.42861510       0.35922761      -0.41337581      -0.68187805 
O       9.08269393       6.04330614      -7.80393575      -0.75023055       0.53975121       0.93027100 
O       1.26604342       2.89739771      -0.07235733       0.13374139      -0.01646784       0.20742916 
O       1.12740613       1.71911612      -5.44890760       0.12239147      -0.11851088       0.38659616 
O       6.47184388       2.75464563      -0.10150212      -0.23638674       0.64748709      -0.72330750 
O       6.44353635       1.90784149      -5.32184307       0.09730395       1.07577947      -0.46364622 
O       1.24116168       8.11167284      -0.02372502       0.02486835      -1.46676608      -1.33287964 
O       1.47387311       7.07579397      -5.48787926      -0.19563250      -0.77070428       0.22842175 
O       6.50570876       7.94247899      -0.15981376      -0.10252282       0.40702306       0.08278505 
O       6.42443619       7.02799039      -5.38255356       0.82523517       0.41796510      -0.18323861 
O       3.51840616       4.65978604      -0.78155329      -0.28016802       0.54817723       0.30624563 
O       3.44547284       3.60689144      -6.31062887      -0.19865712       0.56794507       0.54553423 
O       8.81230542       4.67941767      -0.74117865      -0.24909216       0.19342970      -0.75199917 
O       8.78144697       3.81922006      -6.03727722      -0.93515452       0.27065759       0.70412243 
O       3.51561201       9.82238951      -0.81213667      -0.24568191       0.47944473       0.19730300 
O       3.41714297       8.87816864      -6.09818817       0.14377543      -0.19130900       0.68248553 
O       8.70583960       9.81591993      -0.66656517       0.20532337      -0.08154728      -0.47076136 
O       8.72113640       8.97862160      -6.02011317      -0.18402668      -0.05467092       0.17894509 
O       0.93571308       0.03729614      -1.85656559      -0.16465489      -0.72332139       0.19303809 
O       0.95298622      -0.94029541      -7.14937643       0.30142748      -0.25308149       0.91138143 
O       6.08646181       0.09109698      -1.87073298       0.23243565      -1.28352474       0.99423166 
O       6.04104064      -0.71241735      -7.04597906      -0.39766461      -1.07090012      -0.16781381 
O       1.11076617       4.99091605      -1.97285978      -0.70266421       0.27684329       0.37427983 
O       0.93211949       4.20979477      -7.07787322       0.04119742       0.31836645      -0.14325409 
O       6.17358766       5.10220944      -1.85616205      -0.00357321       0.14638313       0.34709265 
O       6.05918209       4.25008753      -7.07769692       0.93127828       1.04703794       0.18182784 
O       1.65219676      -0.55469430      -4.39045241       0.16002213       0.09576379      -0.55961108 
O       1.56282370      -1.29355693      -9.81684067       0.86401310      -0.44828299       0.47681850 
O       6.75858838      -0.38676384      -4.47239373       1.06637058      -1.31631804       0.23133976 
O       6.92032839      -1.26514588      -9.63077104      -0.02362933      -0.59880189      -0.17099800 
O       1.46648322       5.66736329      -4.84636345       0.19413153       0.79090309      -0.07697631 
O       1.81746261       3.89256990      -9.60136509      -0.65836296       0.20407324      -1.36856291 
O       7.02526144       4.80836036      -4.36562115      -0.15217927       0.01304972      -0.57607710 
O       6.97059466       3.94965637      -9.66859614       0.04506697      -1.31361374      -0.33325824 
O       4.38428784       4.21966378      -3.42782315      -0.01106173       0.38621103      -0.28674461 
O       4.22548569       3.37941099      -8.65674150       1.26384633       0.55532346      -0.57648264 
O       9.55421716       4.19492861      -3.35861904      -0.44496691      -0.04272563      -0.30455063 
O       9.49943225       3.30985283      -8.65478786       0.06187862      -0.45422618      -0.05368191 
O       4.29700541       9.29173570      -3.39387728      -0.11947448      -0.16722480      -0.21075046 
O       4.28910442       8.50607971      -8.60526658      -0.11705053       0.58898921      -0.98271815 
O       9.37661408       9.48561046      -3.28438138      -0.18941989      -0.63441628      -0.49665112 
O       9.49522200       8.38447148      -8.58124471      -0.47492909       0.69195402      -0.76817528 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.019802288972459337 -0.0001592634773765387 0.0028205031089166676 -0.0001592634773765387 -0.023854585670409007 -0.002494028010472889 0.0028205031089166676 -0.002494028010472889 -0.013909761502369314" pbc="T T T" energy=-946.64340572 free_energy=-946.67538792 config_type=crystal 
Hf       2.86115829       2.13488658      -9.37104505      -0.26507648       0.19899681       0.35156722 
Hf       7.94035207       2.95803906      -4.20801052       1.16819122       0.62684140      -0.07123166 
Hf       8.04108161       2.08110991      -9.39524754       0.34543103       1.17824825      -0.09272981 
Hf       2.86061706       8.12545833      -4.09290868      -0.53592241       0.22913472      -0.40988248 
Hf       2.93534988       7.23560379      -9.51013024      -1.48293169      -0.08789128       1.16883708 
Hf       7.92176757       8.19244645      -4.27067161       0.50928380       0.12402152       0.97505048 
Hf       7.93558718       7.23301547      -9.46524107       1.44118650       1.05135779       0.31702202 
Hf       0.25386826       0.84062820      -3.73317858      -0.16165846      -1.07151074      -0.27081805 
Hf       0.22963601      -0.11473413      -8.97340239       0.71070579      -0.37443463       0.97453010 
Hf       5.29336592       0.87381168      -3.68885425       0.02164719      -0.43056659      -0.81236101 
Hf       5.43823583      -0.05734572      -9.01387343      -0.46597312      -0.04832312       0.34530830 
Hf      10.21303958       5.96272654      -3.44350388       1.08131847       1.16414713       0.25689655 
Hf       0.18477789       5.08004307      -8.91868836       1.00475313      -0.83633959      -0.20282844 
Hf       5.43474427       5.89432576      -3.73811806      -0.52218626       0.05509535      -0.26029428 
Hf       5.52904295       5.07361425      -8.87562483      -1.49667920      -0.36381946      -0.05563520 
Hf       2.41890068       1.27813637      -1.07947463      -0.49394692       0.76364347       0.09140660 
Hf       2.41836371       0.34744265      -6.31127906       0.47779544       0.04974762       0.48836079 
Hf       7.58012075       1.34806531      -1.10678991      -0.08839098      -1.67415975      -0.21072413 
Hf       7.54196987       0.32458533      -6.31596978      -0.09265411       0.32330365      -1.20419976 
Hf       2.33213133       6.31194485      -1.11040221      -0.25167174       0.63399181       0.93731376 
Hf       2.50530284       5.25335461      -6.40880482       0.59166146       0.54456374      -1.16380132 
Hf       7.50249735       6.39413799      -1.05871550       0.86503952      -0.14708932      -0.33128163 
Hf       7.63822671       5.47429348      -6.33437647       0.07512961       0.26491363      -0.16064277 
Hf       5.04234741       3.49314173      -1.66557770      -2.18993725      -0.29107452       0.52196465 
Hf       4.95837616       2.53266523      -6.67908200      -0.58567264       0.17093396      -0.96944259 
Hf      10.19404197       3.34805390      -1.54367599       0.24937235       1.08198124       0.95154985 
Hf      10.23697414       2.46373130      -6.73975564      -1.03948273       0.58872608      -0.71546948 
Hf       4.96794022       8.67481305      -1.51594226       0.80362636      -0.84473384      -1.41107081 
Hf       4.95668348       7.71917313      -6.83193944      -0.06005972       0.44341991       0.44245642 
Hf      10.20770385       8.71075535      -1.51624415      -0.62353231      -1.50142208       0.00283959 
Hf      10.15331357       7.75024001      -6.87112395      -0.45571358      -1.15571582       0.22272512 
O       1.15221867       2.21298509      -2.47540791       1.37637870       0.62206696      -1.15435373 
O       1.43052657       1.36993946      -7.86889825      -0.78376689       0.10732563      -1.58399292 
O       6.57234141       2.40228818      -2.77650651      -0.41458394      -0.18774714       0.52804697 
O       6.51497576       1.46027724      -8.02998415       0.49024388       0.50097490       0.30078940 
O       1.20866478       7.49758974      -2.63582566       0.45592995      -0.15934928      -0.25768265 
O       1.31314938       6.52716149      -7.88236746       0.29935531       0.23704359      -0.29442788 
O       6.41188668       7.54043820      -2.71611471       0.32456264      -0.23195735      -0.17380850 
O       6.58379162       6.74123915      -7.95636266      -0.61662277      -1.13846660      -0.32782726 
O       4.05649377       1.22874712      -5.27683777      -0.40896306      -0.51646266       0.36547588 
O       3.94343406       0.59731292     -10.39980910       0.10806229      -0.47204088       0.38846010 
O       9.03253967       1.34480409      -5.11145786       0.08722298       0.51892318       0.05846642 
O       9.19821542       0.56506538     -10.37130096      -0.84202519      -0.24051190      -0.48175653 
O       3.94965089       6.55855614      -5.19857145       0.28586298      -0.12036234       0.32597680 
O       4.15335605       5.74075591     -10.47887714      -1.55790870      -0.26127819       1.02792403 
O       9.18104254       6.59811649      -5.13474102      -0.52374580       0.16806617      -0.53122653 
O       9.23229860       5.73946732     -10.31915243      -1.37371004       0.10593891      -1.40445315 
O       4.02950093       1.76868715      -2.36863890      -0.63167564      -0.02781541      -0.07361776 
O       3.93008752       1.06636667      -7.77637455      -0.32246229      -0.51888830      -0.49539338 
O       9.04464073       1.93038939      -2.56564920      -0.97608225      -0.61580855       0.31621534 
O       9.02715999       1.01246138      -7.77236448       0.32921666      -0.53777396       0.13419535 
O       3.71312995       7.05853946      -2.49845396       0.85816362      -0.26367290       0.02053404 
O       3.87074616       6.10822203      -7.83159860       0.18081081       0.40125782       0.14095970 
O       8.91233206       7.16437212      -2.51180042      -0.76487916      -0.60505567       0.81650850 
O       9.03799738       6.08322594      -7.85680893      -0.33033638       0.23178202       1.06129405 
O       1.28088720       2.75856938      -0.00954157       0.08557735       0.55226110       0.05905710 
O       1.15311941       1.70155166      -5.44227890      -0.23089712       0.31540448       1.36238359 
O       6.48286580       2.82211891      -0.17312304       0.13260502       0.44564284       0.50978172 
O       6.39381225       2.01805796      -5.31940872       1.17041933      -0.50074641       0.28109448 
O       1.26577639       7.98042237      -0.06921062       1.10048512      -0.31149056       0.01421793 
O       1.27756252       7.27201660      -5.27362501       0.18842778      -0.08817936      -0.46454101 
O       6.47710189       7.94347180      -0.05828696       0.63291847       0.84588970      -0.41791312 
O       6.53029469       7.13312699      -5.45768052      -0.69429089      -0.53957184       0.53121600 
O       3.48434439       4.63661518      -0.72968523       0.30405184       0.63927036      -0.76096842 
O       3.42260681       3.60478292      -6.06058999       0.01960047       0.62982352       0.10290448 
O       8.64423138       4.67713032      -0.82110584       0.03269607      -0.04822269       0.02415439 
O       8.67722826       3.73915724      -6.01754956       0.63236824      -0.30106920      -0.60862823 
O       3.48618368       9.86691422      -0.82254737       0.07411525      -0.73960852      -0.02939295 
O       3.42133379       8.87139046      -6.12654038       0.47745834      -0.52672987       0.52668309 
O       8.67016982       9.90147382      -0.81837905      -0.14316636      -0.34134876       0.12404271 
O       8.61804701       8.89150009      -6.13017537       0.02148985       0.19170619       0.35488101 
O       0.82134534       0.01675024      -1.83347806       1.60598543       0.65520285       0.51819759 
O       0.87987387      -0.96207227      -7.02009407       0.42513922       1.01266873      -0.43846302 
O       6.07427441       0.05484127      -1.79882067       0.75758538       0.52337546       0.12915916 
O       6.06639088      -0.86630283      -7.11634894       0.00774750       0.24224999       0.10895422 
O       0.83925883       5.15175598      -1.76558527      -0.05092319      -0.54695572      -0.20798693 
O       0.94337135       4.13562292      -7.04141918      -0.09560391       0.41042643       0.36736932 
O       6.18262108       5.13515213      -1.87704698      -0.03674409       0.62954129       0.11653756 
O       6.11411860       4.28888297      -6.96722215       0.02742757       0.59743830      -0.68835785 
O       1.68262682      -0.51058226      -4.38333060       0.55627119       0.35056409      -0.10933895 
O       1.69972114      -1.40024812      -9.66033680      -0.18555593       0.39900148      -0.30986585 
O       6.83984860      -0.43585269      -4.56791314      -0.30063597       0.57548967       1.11381679 
O       6.92356632      -1.27085331      -9.67816658      -0.05397433       0.13678127      -0.55348502 
O       1.37516978       5.86447372      -4.80197758       0.11399181      -0.22768617       0.09585536 
O       1.71436958       3.84595463      -9.59071425       0.41355447       0.04650509      -0.94821603 
O       7.02677728       4.84466726      -4.44933759      -0.30824996      -0.34509974       0.57742373 
O       6.91874751       3.90413450      -9.68649281       0.57964661      -1.28894199       0.42777788 
O       4.35836738       4.24210296      -3.42555261       0.49356565       0.56205222       0.17107052 
O       4.23206316       3.47967869      -8.59896686       0.53158892      -0.35213663      -0.08390429 
O       9.54925122       4.16860303      -3.45788443      -0.42945601      -1.08059866       0.09068396 
O       9.62088514       3.22838660      -8.72161842      -0.66931647       0.18038774      -0.00168628 
O       4.39263883       9.31707142      -3.51776045      -0.35048195       0.05381130       0.68692006 
O       4.31524984       8.54035789      -8.70696695      -0.32878014      -0.94292313      -0.15855438 
O       9.58717528       9.27050180      -3.50977927      -0.55459707       0.88859718      -0.13172769 
O       9.37814228       8.53683138      -8.61629240       0.46252811      -0.26817670      -0.66808542 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009022032997075175 -0.001998419230709574 0.0026352354697897237 -0.001998419230709574 -0.02103680940193133 -0.002124067818628352 0.0026352354697897237 -0.002124067818628352 -0.021409070875639633" pbc="T T T" energy=-946.87494099 free_energy=-946.90932223 config_type=crystal 
Hf       2.81892527       2.14819737      -9.44480883      -0.15351572      -0.03024588       0.45323387 
Hf       8.02068827       2.95220084      -4.10418263      -1.28150121      -0.44065483      -0.18398157 
Hf       8.07215805       2.07189881      -9.38629453       0.32933276      -0.39653989      -1.00965495 
Hf       2.90686280       8.16111189      -4.07782091      -1.54400058       0.31108162      -1.06226097 
Hf       2.77762541       7.18651355      -9.46378370       1.00802617       0.43890813       0.86524129 
Hf       7.88293530       8.27945138      -4.18959974       1.78932740       0.47126923      -0.38808457 
Hf       7.99108549       7.22406265      -9.33438457       0.55961630       0.72956723      -0.58360847 
Hf       0.20479500       0.80528613      -3.66285386       0.77780270       0.26080675      -1.37756652 
Hf       0.34048602      -0.09800303      -8.87432065      -1.12752100      -0.12491856      -1.38082214 
Hf       5.26387192       0.89539205      -3.82883513       0.81695601      -0.15471292       1.30170117 
Hf       5.44999608      -0.11709764      -8.99415501      -0.90718501       0.08588031      -0.12386961 
Hf      10.28844424       5.95862871      -3.45705636      -0.01714831       0.48670238       0.78927674 
Hf       0.20965444       5.06211137      -8.96854870       0.99956537      -0.41902958       0.15854249 
Hf       5.47896069       5.98208974      -3.75206840      -0.83819321      -1.33892999       0.18468176 
Hf       5.43267868       4.93860758      -8.98608447      -0.16873936       0.97080365       0.52051663 
Hf       2.46275946       1.20839636      -1.05448324      -1.01639290       0.73504704      -1.44013947 
Hf       2.38140314       0.37558727      -6.34189856      -0.16888900       0.06289261       1.52108473 
Hf       7.50896655       1.16318693      -1.09364832       0.93392436       0.71726604       0.32139381 
Hf       7.48688936       0.42840449      -6.36962430       1.19416911      -0.62795466       0.47304695 
Hf       2.41363124       6.37290170      -1.16752235       0.00563660      -0.01086309       0.80610284 
Hf       2.57668988       5.30938583      -6.49348332      -0.97654545       0.37944653       0.69620741 
Hf       7.62881196       6.39629458      -1.00173953      -0.53256222      -0.91554327      -0.32872877 
Hf       7.59655435       5.43583805      -6.31992126      -0.76027890      -0.31024606      -0.27295443 
Hf       4.93604139       3.42063758      -1.61958230       0.16025745       0.58156323      -0.16237047 
Hf       4.87633449       2.51756461      -6.72777112       0.62628640       0.53948629       0.00634768 
Hf      10.25453572       3.32521566      -1.54298200      -0.05234119       0.01266895       0.92509020 
Hf      10.14645234       2.55579864      -6.77237204       1.62449176      -0.26025577       0.54989241 
Hf       5.04059010       8.71242663      -1.57348662       0.01811137      -1.37882666       0.10311214 
Hf       4.96074650       7.76114897      -6.83793485      -0.82525586      -0.65602418       0.49982174 
Hf      10.16346842       8.71897364      -1.50087266       0.14044262      -0.93973817       0.02920218 
Hf      10.12543963       7.76479996      -6.83550932      -0.35945084      -0.42247320       0.62232311 
O       1.31060355       2.27301016      -2.67949686      -0.92969481       0.07019327       0.87958394 
O       1.36431753       1.48623890      -7.95392159       0.08486948      -0.28300001      -0.39990124 
O       6.44231529       2.33840295      -2.78918072       0.75651332       0.67365267      -0.10458843 
O       6.55303531       1.49660592      -8.04512411      -0.04844371      -0.59957081       0.28740199 
O       1.23357219       7.52331462      -2.73576309       0.68392921      -0.01657114      -0.17317961 
O       1.32786588       6.71895709      -8.05530044      -0.68067574      -1.15383314       0.10643108 
O       6.52496852       7.60178931      -2.85324720      -0.80320928      -0.70126263       0.83338228 
O       6.54886225       6.59887973      -7.99996592      -0.34290525      -0.47359782       0.02729548 
O       4.02989140       1.15168496      -5.30269052      -0.66985409       0.63317316      -0.95297461 
O       3.85213361       0.65276344     -10.49648242       1.09469544      -1.09375823       1.32365664 
O       8.95225178       1.37373359      -5.06878800       0.86930259       0.38604152       0.26386097 
O       9.15244232       0.46737278     -10.32837835       0.28527031       0.72646414       0.22242096 
O       3.97915683       6.57966026      -5.17841463       0.53851274      -0.12713597       0.54131293 
O       3.96136065       5.67070542     -10.39010751       0.12226100      -0.11843995      -0.09977693 
O       9.21499356       6.72633480      -5.09298282      -0.50758841      -0.40623223      -0.10862825 
O       9.13416008       5.74466932     -10.28343322       0.10436532      -0.43029878      -0.58029723 
O       3.90282921       1.80041986      -2.40130307       0.80554504      -0.41570686      -0.57935506 
O       3.86315709       1.02089421      -7.82035058      -0.00490119      -0.36477465      -0.60673662 
O       8.99397785       1.83752649      -2.36921665       0.35215188       0.52983199      -1.22791409 
O       9.15553863       1.01817322      -7.70828382      -1.00475896      -0.24282533      -0.27015165 
O       3.87197024       7.05008783      -2.54967529       0.26378800       0.17089967       0.35803857 
O       3.86006275       6.13969902      -7.76137415       0.82653995       0.26210612      -1.16387461 
O       9.01682881       7.13800852      -2.40769510      -0.55479358      -0.36089718       0.02479462 
O       9.09032851       6.05563333      -7.73508447      -0.18890903       0.75875340       0.36438394 
O       1.26204160       2.76523216      -0.08788139       0.33186018       0.46999664       0.49859915 
O       1.16727525       1.74054099      -5.36811179      -1.31927643       0.63906486      -0.96335075 
O       6.48433998       2.73569721      -0.12182453      -0.45654996       0.30641467      -0.07952769 
O       6.43708502       1.97262733      -5.41848226      -0.16543359       0.16715109       0.31328837 
O       1.33817087       7.99815548      -0.13007222      -0.74348420      -0.54588591      -0.54078353 
O       1.52168520       7.10906805      -5.48386142      -0.85840385      -0.39334556      -0.01062541 
O       6.45465532       7.92368865      -0.15743496       0.43096537       0.15565065       0.47304878 
O       6.47944563       7.08702901      -5.44389336       0.42352525      -0.45846560       0.38559496 
O       3.64413362       4.73463653      -0.67744566      -0.44090489       0.97837966      -0.81994298 
O       3.55389027       3.76198901      -5.98139090       0.14047470      -0.35213757       0.31798845 
O       8.81290213       4.70966086      -0.82973880      -0.42822827      -0.07387147       0.83733357 
O       8.74832707       3.70598457      -5.98373747      -0.55640278       1.28802746       0.23360739 
O       3.59269864       9.79705393      -0.78836754      -0.66233898       0.52677761       0.22666038 
O       3.44928628       8.88667994      -5.99844952       0.50230759      -0.15869074      -0.19663354 
O       8.70769811       9.80627930      -0.70696764      -0.47283277       0.32353216       0.28825230 
O       8.66606929       9.01099454      -6.01015053       0.24041872      -0.21431366      -0.75242546 
O       0.91062416      -0.02177889      -1.90214338       1.11532804       0.45499017       1.19526476 
O       0.94631596      -0.98686319      -7.03671355       0.52565037       1.15428224      -0.32126979 
O       6.20419902      -0.00167979      -1.98584071      -0.54582150      -0.58809613       0.44590404 
O       6.08587590      -0.88554115      -7.12565456       0.29703045       0.74881162      -0.31732649 
O       1.00268362       5.10534071      -1.93388276       0.05589158      -0.50214964       0.42662055 
O       0.98311080       4.19967593      -7.17061281      -0.05175289       0.29594249       0.18755434 
O       6.18739636       5.21608599      -1.81240118      -0.04133329       0.00674550      -0.37155629 
O       6.10629678       4.24182957      -7.01167648       0.11118801       0.44830979      -0.79307280 
O       1.66084522      -0.41182947      -4.40365910       0.49774783      -1.30881310      -0.19217659 
O       1.77243273      -1.31678360      -9.69321823      -0.35373818       0.02930298      -0.09012790 
O       6.83002021      -0.37449692      -4.51691285      -1.00784080       0.57180767      -0.30434707 
O       6.86484806      -1.39314292      -9.73846619      -0.57602710       0.11386751       0.35513782 
O       1.35433443       5.75056898      -4.81407783       1.07500476       0.22802452      -0.94502096 
O       1.76974123       3.88173677      -9.72487024      -0.85660355       0.16687682      -0.46029105 
O       6.85628334       4.64178876      -4.51077746       0.16386653       0.86019243       0.40969556 
O       6.93811855       3.78761312      -9.61079871      -0.09632860       0.23536325      -0.86239692 
O       4.22780740       4.32692614      -3.29395434       0.73101176       0.88497974      -0.06082673 
O       4.19113631       3.40852485      -8.57618888       0.24609762      -0.22291769       0.01895529 
O       9.41241685       4.18176270      -3.31110043       0.23945693      -0.03870588      -0.62754540 
O       9.41172237       3.38623700      -8.70865712       0.93254894      -0.05014459       0.76008756 
O       4.22880508       9.45793638      -3.39033291       0.44171085      -0.35665154       0.20019015 
O       4.23181535       8.50647187      -8.67170998       0.47811123       0.08828108      -0.04385986 
O       9.33057063       9.47649432      -3.26681862      -0.02146160      -0.43906187      -0.65177560 
O       9.48179171       8.56436170      -8.64400702      -0.69145740      -1.25570071       0.34182621 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013353955526649013 0.005226956854368798 0.004406528492766782 0.005226956854368798 -0.025481378451031756 -0.001896378327180244 0.004406528492766782 -0.001896378327180244 -0.01778381647821883" pbc="T T T" energy=-946.52126243 free_energy=-946.56080912 config_type=crystal 
Hf       2.80639177       2.09258389      -9.41543228       0.05998373      -0.99543594      -0.08538785 
Hf       7.89824664       3.01275722      -4.21028747       0.94867006      -0.19820556       0.32947631 
Hf       7.98971148       2.15939478      -9.37407594       0.53133126      -1.28501454       0.00829035 
Hf       2.83113335       8.19214033      -4.11543674       1.48904765      -0.23356251       0.46670141 
Hf       2.79337647       7.28066501      -9.50369548       0.49507016      -0.07291456       1.05460432 
Hf       8.00795528       8.23316175      -4.06873475      -0.21330387       0.51183667      -0.85120887 
Hf       7.96531444       7.22499137      -9.49210819       0.70870286       0.68248939       1.94826533 
Hf       0.20085344       0.81131889      -3.77137499       1.18960424       0.34985642       0.75725656 
Hf       0.23467707      -0.12656612      -8.93629899      -0.45145278      -0.56697902      -0.42845654 
Hf       5.32541863       0.91682880      -3.78359641      -0.27510939      -1.05366205       0.26647003 
Hf       5.44432994      -0.08819643      -8.96599076      -0.56938582       0.24340200      -0.55566993 
Hf      10.38684553       5.94986173      -3.50077649       0.37140982       1.28636858       0.10155669 
Hf       0.25391024       4.97005264      -8.88366449      -0.16603310       0.50776906      -0.41664476 
Hf       5.46077383       5.97830605      -3.71916114      -0.52108182      -0.10945869      -0.28119836 
Hf       5.36971329       4.99623375      -8.94574784       0.80137988       0.97385335      -0.12787989 
Hf       2.45081800       1.20948377      -1.14941819      -1.09751326       1.19508559      -0.67396589 
Hf       2.37446970       0.40874781      -6.27823698       0.89383670      -0.78747782      -0.90730122 
Hf       7.63519679       1.19968350      -1.12046587      -1.44582285       0.42722750      -0.02145688 
Hf       7.53124532       0.35411907      -6.32664100       1.16324648       0.31139376       0.00997392 
Hf       2.40509665       6.33776462      -1.06197194      -0.55039493       0.34734522      -0.82819309 
Hf       2.57315240       5.35464351      -6.64223776       0.55459666       0.27066725       1.11805479 
Hf       7.59892656       6.33895715      -0.96979140      -0.36336953       0.21836221      -1.11230925 
Hf       7.61356181       5.54522303      -6.32004527       0.05243806      -0.52933985      -0.45136416 
Hf       4.91237115       3.40479045      -1.63375809       0.50053833       0.85134830      -0.17971325 
Hf       4.88200126       2.62793529      -6.73889428       0.91050235      -1.08743371       0.37835291 
Hf      10.18079486       3.38221814      -1.52275199       0.65558417      -0.19901328      -0.01268450 
Hf      10.12947293       2.48835703      -6.74041088      -0.23386412       0.52490439      -0.87773375 
Hf       4.95750556       8.55526102      -1.53150413       0.65318395       0.77628686      -0.47991698 
Hf       5.02432804       7.77642593      -6.75750678       0.09575460      -0.72325280      -0.94301419 
Hf      10.27615241       8.63900458      -1.50625180      -0.15015369      -0.40486102       0.58850977 
Hf      10.14702443       7.70633260      -6.75709127      -0.89814654       0.48910526      -0.39310270 
O       1.21546752       2.28631190      -2.64214533      -0.48783051      -0.82860260      -0.15275563 
O       1.34738530       1.39171091      -8.07711435      -0.28473127       0.27466513       0.78523946 
O       6.47018995       2.37621188      -2.80641533       0.59494770       0.32087600      -0.00719435 
O       6.61245138       1.53227727      -7.85876813      -0.74574034      -0.15204796      -1.84385613 
O       1.32778764       7.59064630      -2.66122647       0.05053192      -1.06480589      -0.27754913 
O       1.38775637       6.61326866      -7.99589674      -0.12811806      -0.50763591       0.28471761 
O       6.51007902       7.58961074      -2.81463970      -0.10644201       0.02387062       1.29023774 
O       6.59731012       6.59929060      -7.99097816       0.08467736       0.15203560       0.16685098 
O       3.97516810       1.36646779      -5.25989549      -0.15938654      -0.63948485      -0.35697422 
O       3.85674243       0.61979230     -10.39588629       1.23124137      -0.86094801      -0.45526105 
O       9.01306535       1.40634907      -5.14615578       0.39654939       0.28550339       0.01686637 
O       9.11002072       0.47236542     -10.32238850      -0.00227605       0.46619242      -1.00227954 
O       3.92556006       6.62063299      -5.22269696       0.69264088      -0.35320253       0.16613581 
O       3.86958660       5.66324094     -10.43237646       0.83530871      -0.36429461       0.05282631 
O       9.10616873       6.67841961      -5.04566907       0.54076834      -0.31061575      -0.22354002 
O       9.12965651       5.66983238     -10.23418390       0.02951611      -0.17460070      -1.09830234 
O       3.94774209       1.81299563      -2.50416702      -0.34627460      -0.15957786       0.82519522 
O       3.78202000       0.96040619      -7.81576288       1.06011988       0.34152716       0.20293258 
O       9.03268669       1.90032782      -2.61330243      -0.46185325      -0.02477040       0.76611367 
O       9.11060860       0.97965533      -7.83686538      -0.45842022       0.11383008       1.08572298 
O       3.82526462       7.04731752      -2.50160414       0.29267973      -0.07436715      -0.47283392 
O       3.96563511       6.17154199      -7.97058403      -0.64104933       0.32187008       1.46467882 
O       9.02954207       7.08184037      -2.43703152      -0.19783554       0.09027318       0.65615924 
O       9.18463083       6.13040417      -7.67953238      -0.57301613      -0.80368515       0.15061601 
O       1.26275323       2.75683988      -0.15277627      -0.05524753       0.34798012       0.52346461 
O       1.08058736       1.70983972      -5.47795883      -0.13134080       0.33018997       0.71278220 
O       6.50293632       2.79227738      -0.23739303      -0.44805212       0.11892407       1.13634756 
O       6.42406369       1.96118877      -5.42812274       0.21887039       0.54403998       0.89384278 
O       1.28008227       7.86588974      -0.02182284      -0.39191555       0.28108011      -0.29757764 
O       1.33188620       7.13002847      -5.25248061      -0.46023507      -0.77578411      -0.58397299 
O       6.46250664       8.01558490      -0.12005130      -0.17057415      -0.76060233      -0.14152929 
O       6.57288690       7.05401772      -5.27386474      -1.18093568       0.69935364      -1.38783081 
O       3.54211619       4.72744068      -0.88793440       0.18596624      -0.65760322       0.79162009 
O       3.58583752       3.86064798      -5.99673572      -0.18590982       0.19211876      -0.00358520 
O       8.71339002       4.68790542      -0.70732592       0.18094808      -0.18511976      -0.10728885 
O       8.79356029       3.81545319      -5.94792932      -0.23281982       0.22975826      -0.34551975 
O       3.51646027       9.78478251      -0.77944845       0.18549489       0.16367970      -0.31860604 
O       3.49916323       8.84466069      -6.09031998      -0.17851841       1.08082048       0.22200763 
O       8.80667834       9.87358936      -0.75861970      -0.26047302      -0.30076722       0.09582431 
O       8.63156073       8.92075914      -6.04120097       0.56453912      -0.18387412       0.23448989 
O       1.12384537      -0.16653048      -1.92137835      -0.18555975       1.14616748       0.05792640 
O       0.91188024      -0.97543308      -7.02603971       0.36293785       0.83507405      -0.47434669 
O       6.02682786       0.05854593      -1.80913980       1.07775644       0.16725131       0.37803420 
O       6.18003120      -0.84546988      -7.18143871      -1.03971825      -0.86496312       0.69775630 
O       0.89637210       5.11651614      -1.87691258       0.57429526       0.16772436       0.56828128 
O       1.04971020       4.09304732      -7.06008240      -0.30051632       0.33680141      -0.92486476 
O       6.16082505       5.22077836      -1.87260355       0.17604996      -0.11924976       0.45854833 
O       6.09022653       4.35901625      -7.06704523      -0.05109422      -0.41448408       0.04779022 
O       1.75311790      -0.47161330      -4.48386205      -0.84783465       0.38974905       0.36016454 
O       1.68645824      -1.33024884      -9.76371863      -0.09985198      -0.20055015       0.11173947 
O       6.96010379      -0.30472209      -4.43022695      -0.68609991      -0.24253575       0.16690182 
O       6.86214347      -1.34408813      -9.68887119       0.39951454       0.30497670      -0.90473787 
O       1.41914878       5.61440659      -4.96504925      -0.19584693       0.92952509       0.48406524 
O       1.73965925       3.72439942      -9.72837702      -1.05298287       1.26973650       0.19379775 
O       6.88682291       4.72090143      -4.51724813      -0.18094837       0.06744653       0.24494826 
O       6.85196337       3.83646072      -9.66809747       0.31431841      -0.33319078      -0.29452539 
O       4.35478865       4.36692905      -3.38610044      -0.18676137      -0.56791467       0.25190641 
O       4.28859374       3.31951734      -8.61461147      -0.40801485       0.10323083      -0.56846825 
O       9.41868033       4.33634246      -3.30406661      -1.27832581      -2.00980796      -0.44737362 
O       9.43144356       3.37880548      -8.64636219       0.17564477      -0.28131084       0.50710239 
O       4.35635738       9.38833495      -3.36503658      -0.73281899      -0.35956043      -0.91576228 
O       4.37103242       8.47156527      -8.73483603      -0.26981423       0.28214076       0.41489453 
O       9.50433720       9.39753787      -3.28605422      -0.15162194       0.17663289      -0.94079272 
O       9.40286298       8.45173225      -8.59442084       0.47958192       0.24476871      -0.15758078 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012791648975483542 -0.0010369450461525547 0.0049803882520865215 -0.0010369450461525547 -0.01962916951958559 -0.00026153491104543273 0.0049803882520865215 -0.00026153491104543273 -0.012120249601634932" pbc="T T T" energy=-946.5517538 free_energy=-946.58656984 config_type=crystal 
Hf       2.88075272       2.12264109      -9.48904139      -0.85047990      -0.07986842       0.48359541 
Hf       7.99923761       2.97869710      -4.04785245      -0.74061738      -0.61267157      -0.66824387 
Hf       7.98597180       2.08098193      -9.36060075      -0.01114462       0.40299446      -1.27761182 
Hf       2.87478942       8.15326604      -4.14270854       0.26747171      -0.11954920       0.47776750 
Hf       2.77791114       7.31398204      -9.51761012       0.02401749       0.48494519       1.21720279 
Hf       8.00584584       8.20386979      -4.21327520      -0.83677056       0.15688399       1.05942509 
Hf       8.06344745       7.20629211      -9.48354590      -0.95442085      -0.16427242       1.45394971 
Hf       0.27319369       0.76607260      -3.74856488       0.13752125       0.83328016       0.34901988 
Hf       0.16954405      -0.07990625      -8.90752497       0.57516215      -0.78545836      -0.48551772 
Hf       5.29779312       0.85166192      -3.72644193       0.74257135      -0.02542799       0.12578021 
Hf       5.38796654      -0.07698771      -9.01155605       0.34516129      -0.33647172      -0.26832177 
Hf      10.35163915       5.91096058      -3.40419095       0.39511541       1.02108562       0.75344363 
Hf       0.19668319       4.96332357      -8.95468111      -0.10183172       1.17221958       0.42172462 
Hf       5.39728757       5.88776154      -3.77828962       0.72366947       0.25524835       0.00054334 
Hf       5.42760354       5.04276551      -8.94083073       0.52440942       0.16186634      -0.12087732 
Hf       2.28959263       1.34514406      -1.17452319       1.14065202      -1.55960856      -0.18564898 
Hf       2.32314850       0.35162452      -6.27239193       0.48951256       1.27292144       0.06611685 
Hf       7.61196472       1.15088327      -1.12440915      -1.16014271       1.17706337       0.40892472 
Hf       7.61819100       0.40720496      -6.33160977      -1.18224160      -0.11185750       0.58426199 
Hf       2.39772183       6.48830389      -1.01286868      -0.30438486      -1.30825122      -1.61922923 
Hf       2.54062797       5.45024401      -6.53220801      -0.63029318      -0.96148101       0.29767924 
Hf       7.56761291       6.34673552      -1.06318623      -0.64809616      -0.55746704      -0.57138410 
Hf       7.64073825       5.40075743      -6.30150354      -0.99257643       1.46669588      -0.64848710 
Hf       4.89450618       3.46849608      -1.65905221       0.29638220      -0.76873356       0.08759159 
Hf       4.95437278       2.59812821      -6.68584596      -0.24934094      -0.73061999      -0.80464144 
Hf      10.26344093       3.33865160      -1.52606881      -1.23969112       1.32912038       0.50694744 
Hf      10.14872802       2.59872013      -6.70759256       1.14056636      -0.32513935       0.13863665 
Hf       4.94287166       8.59650249      -1.54477550       0.84848817       0.46544717      -0.67229275 
Hf       5.06930149       7.81076308      -6.77825436      -0.54083589      -1.06754666      -0.19533529 
Hf      10.18734833       8.66404605      -1.51714710       1.39675328      -0.87641585      -0.70466217 
Hf      10.11355656       7.69489772      -6.73494092       0.69890807      -0.75241656      -1.89815191 
O       1.16883951       2.28085450      -2.62076446       0.72312883      -0.25140323       0.04496935 
O       1.23826081       1.47422618      -7.96331762       1.00488441      -0.03719124      -0.09800944 
O       6.53315753       2.26876337      -2.63167194       0.17921710       0.73723507      -1.11051019 
O       6.50276114       1.46482103      -7.96132041       0.57630978       0.16209618      -0.06369863 
O       1.25818898       7.57875621      -2.71511610       0.37957325      -0.70139970      -0.00110155 
O       1.35376629       6.64996606      -8.05241991      -0.05145452      -0.33348675       0.37641519 
O       6.61951356       7.34118086      -2.82473769      -0.71830400       0.74239392       0.60624278 
O       6.59080143       6.57564936      -7.99655523      -0.18094051       0.36229862      -0.32570362 
O       4.05612274       1.11542992      -5.27030914      -0.36965245       0.84610089      -1.10186263 
O       3.88211376       2.24152041      -0.01446802       0.35028344       0.94614204       1.18699035 
O       9.04204357       1.38926463      -5.04783755      -0.19338958       0.27712437      -0.89606797 
O       9.15756401       0.48667258     -10.39326314      -0.06447497       0.05893461       0.43682525 
O       3.99533525       6.62653721      -5.20045956       0.27271468      -0.09673080       0.00180825 
O       3.96130090       5.70860973     -10.36304592      -0.36768146      -0.08209026      -0.32596957 
O       9.17571388       6.61397301      -5.04702207       0.61160776      -0.04688194      -0.36336328 
O       9.13315201       5.60787077     -10.44163965       0.07012040       0.42790586       0.82045950 
O       3.97130676       1.72948256      -2.40697539      -0.62573073       0.02804828      -0.48279227 
O       3.89477662       1.01711543      -7.93631390      -0.88793941      -0.35093010       0.97595572 
O       9.02168129       1.91311493      -2.52416128       0.17524950      -0.72022432       0.69796103 
O       9.03261126       0.95703879      -7.76219855      -0.02301690       0.22840118       0.25981518 
O       3.81483203       7.05524655      -2.55462506       0.40028519      -0.16741621       0.57057536 
O       3.85677142       6.17242442      -7.77896316       1.52434947       0.10286789      -1.16501211 
O       9.01054549       7.15340541      -2.40621483       0.53040319      -0.79988094      -0.96460672 
O       9.09994567       6.08014011      -7.76611758      -0.25551185       0.16072154       0.58331983 
O       1.25116462       2.85071819      -0.09246269       0.54481849       0.01974906       0.70248307 
O       1.12456064       1.89975389      -5.27274832       0.18138270      -1.00653937      -1.42627465 
O       6.53604541       2.79990134      -0.10822386      -0.64787594      -0.25664936       0.44197305 
O       6.47968627       2.11291544      -5.36559785       0.21790593      -1.03591947       0.42496573 
O       1.28209622       7.89656130      -0.03684540      -0.65585863       1.09817288      -0.76833711 
O       1.45999106       7.05718850      -5.39728998      -0.64844167       1.07952647      -0.96881119 
O       6.44430046       7.94895558      -0.18475475       0.16945533      -0.31133743       0.30828354 
O       6.56888518       7.06613645      -5.38060959      -0.55343844      -0.13886655      -0.52397491 
O       3.49545785       4.72256024      -0.83580383       0.08031642      -0.28473994       0.68609983 
O       3.51046361       3.78457885      -6.09458185      -0.11118652       0.21494107      -0.32697218 
O       8.73436896       4.67202421      -0.75707317       0.10602801      -0.13947767      -0.33648877 
O       8.71941587       3.81085424      -5.95951356       0.70381663      -1.14506858       0.19019478 
O       3.45564047       9.79629433      -0.91196237       0.06681789      -0.25565917       0.68601180 
O       3.42957382       8.92342008      -6.10809327       0.51721670      -0.50504952       0.13551950 
O       8.79184609       9.79369111      -0.75203888      -0.57717276       0.93698778       0.00238729 
O       8.69797861       8.88352306      -6.11213851      -0.95865101       1.05257438       0.63475532 
O       1.05979253      -0.12677743      -1.96967390      -0.36973948       0.70048293       0.63494965 
O       0.83764241      -0.87551013      -7.02110307       0.08716495      -0.34277015      -0.02208771 
O       6.17715413      -0.06834999      -1.86851536      -0.36660751      -0.57999199      -0.11951039 
O       6.17562436      -0.85017286      -7.13083786      -0.04343488       0.13543433      -0.05162873 
O       1.05926824       5.11127099      -1.85173595      -0.94622419      -0.04366578      -0.19300033 
O       0.87518068       4.30269432      -7.07373127       0.50222107      -0.11866412       0.34424098 
O       6.05695119       5.06933241      -1.89297500       1.13098673       1.17251827       0.72515053 
O       6.12143991       4.32090289      -7.06946036      -0.47753418      -0.61979296       0.03325836 
O       1.74110153      -0.50483253      -4.37912270      -0.35806401       0.73761193      -1.29021568 
O       1.54340736      -1.35822260      -9.84829370       0.33944867       0.31438674       0.38313054 
O       6.84902125      -0.39213600      -4.46030608       0.47047042       0.01311967      -0.72482637 
O       6.80643767      -1.45090775      -9.83724015       0.25243493       0.42421820       0.61546454 
O       1.52348615       5.76821491      -4.73250466      -0.09541891      -0.92646551       0.82817928 
O       1.64757079       3.84891551      -9.72597543       1.26501959      -1.37802512       0.15242953 
O       6.95928098       4.68802277      -4.41949336      -0.29256062       0.75292416       0.05939078 
O       6.91807567       3.85121576      -9.72100802      -0.18062326      -0.29882950       0.50517739 
O       4.38383337       4.22664750      -3.47923170      -0.34635124      -0.52762541       0.22581720 
O       4.39654506       3.25475862      -8.75526366      -0.11130091       1.04686540       0.39686523 
O       9.57773819       4.12833019      -3.43405777       0.04383374       0.32462321       0.24407068 
O       9.44936495       3.33436250      -8.57675256      -0.51162481      -0.55366522      -0.35029849 
O       4.37445623       9.34212620      -3.50167817      -0.14276527      -0.63858623       0.54543218 
O       4.32482512       8.44184531      -8.62792222      -0.32471250       0.52920792      -0.92436665 
O       9.44952434       9.43924516      -3.42928693      -0.24236320      -0.73465397       0.24185030 
O       9.48823598       8.38630436      -8.63559605      -0.04185139       0.71630855      -0.02760557 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014246564182544838 0.005633798504370237 0.002751974965031271 0.005633798504370237 -0.023154258855354284 -0.00014173579058132267 0.002751974965031271 -0.00014173579058132267 -0.018882637255619106" pbc="T T T" energy=-946.38692019 free_energy=-946.42036742 config_type=crystal 
Hf       2.80858506       2.13028447      -9.35085736       0.83388851       0.70271041      -0.69924367 
Hf       8.02941539       2.92451674      -4.14510813      -1.22430766       0.41763941      -0.39686897 
Hf       7.96384837       2.07965444      -9.39628510       0.61772761       0.37835839      -0.70703962 
Hf       2.82900012       8.27685289      -4.07518789      -0.19158320      -1.91668442       0.12400991 
Hf       2.79956857       7.29033187      -9.45229018      -0.48640642      -0.29432991       0.39761256 
Hf       7.96320303       8.17464018      -4.18567074       0.09031170       0.72937716       0.43040293 
Hf       7.99810663       7.22182427      -9.49899983       0.18367415       0.89568894       1.69917746 
Hf       0.25721632       0.88951353      -3.76419689       0.33236305      -0.89299830       0.68247974 
Hf       0.26798909      -0.03208617      -8.97590006      -0.49286430      -1.31404040      -0.23081519 
Hf       5.37698255       0.69442859      -3.74993489       0.21828918       1.81029399       0.83503721 
Hf       5.39344773      -0.13164906      -9.01478026       0.12413799       0.12738046       0.47136039 
Hf      10.31477792       5.95224696      -3.42577711       1.09179456       0.53658537      -1.05428547 
Hf       0.17379233       5.01316519      -9.00908285       0.53093791      -0.12725898       0.85025370 
Hf       5.29623458       5.93361368      -3.70985395       0.52806973      -0.68438932       0.17063996 
Hf       5.43803395       5.12294693      -8.97716926       0.56056496      -1.22529866       1.23190169 
Hf       2.34239901       1.30031091      -1.11473496       0.80879108      -0.71216293      -0.33724535 
Hf       2.45651033       0.42730040      -6.29076775      -0.55944478      -0.04044365       0.22507797 
Hf       7.64059985       1.22828142      -1.10687045      -1.72305419       1.79261219      -0.71180905 
Hf       7.56204444       0.34157375      -6.36232514       0.06914190      -0.41000713      -0.23672670 
Hf       2.45684801       6.35956700      -1.05602367      -0.39182210       0.36533593      -0.69325662 
Hf       2.47885912       5.36083333      -6.52381836      -0.31773005      -0.29854738       0.71269214 
Hf       7.54197081       6.30756532      -1.07420670      -0.65852342      -0.29989960      -0.07806728 
Hf       7.64670353       5.46964093      -6.26211364      -0.75147618      -0.56912940      -0.96571583 
Hf       4.88573844       3.43593028      -1.61942689       0.61731374      -0.66066306       0.64680444 
Hf       5.01484741       2.59700746      -6.72441513      -0.35045380      -0.38487765       0.07661595 
Hf      10.25263440       3.41726687      -1.56987190       0.13976939      -0.04638026       0.27797059 
Hf      10.15159480       2.51358682      -6.74050056      -0.00581096      -0.65168949      -1.18991483 
Hf       5.06239600       8.62652458      -1.47905003      -0.99552137      -0.25777777      -0.22172786 
Hf       4.95237701       7.67958914      -6.70706522      -0.23535517       0.87401999      -0.77570102 
Hf      10.18084920       8.59303603      -1.53819919       1.18819559       1.76180713      -0.58594023 
Hf      10.10906442       7.77364518      -6.84424182       0.71209522      -0.77922650      -0.06169456 
O       1.28235784       2.37405273      -2.61222623      -0.24243109      -0.83692781      -0.23205675 
O       1.35206207       1.45201812      -8.10001560      -0.41347191      -0.24640962       1.40955282 
O       6.56270628       2.31457347      -2.74253712      -0.25495923       0.05952009      -0.12715026 
O       6.59625239       1.43261003      -7.98661716      -0.82298109      -0.19869530       0.08643790 
O       1.35152126       7.57384033      -2.70851270      -0.72860724      -0.01533681      -0.02241079 
O       1.28657142       6.55860010      -8.00179785       0.08299283      -0.60429703      -0.23904825 
O       6.42385256       7.52482441      -2.63951525       1.57534342      -0.56405617      -1.38875114 
O       6.58888494       6.55135975      -7.93141348      -0.79287274       0.62207987      -0.40139129 
O       4.12406332       1.19240838      -5.25180983      -0.99835361       0.11114818      -0.39682478 
O       3.90024275       0.58708453     -10.33273955       0.03822010      -0.53431297       0.07003931 
O       9.04537948       1.38306546      -5.15212421       0.23431176      -0.13193525       0.03794011 
O       9.13490963       2.40575300      -0.02596144       0.54181988      -0.71671338       1.12358662 
O       3.93594713       6.54572651      -5.16654729       0.10506337       0.51824353       0.16038160 
O       3.94591568       5.62688577     -10.31478607       0.29213296       0.42050491      -0.68386060 
O       9.12417843       6.67736713      -5.08862486       0.37079225      -0.63108854      -0.51474864 
O       9.20677681       5.77519854     -10.40805805      -0.61583671      -0.51808194      -0.42392738 
O       4.04680036       1.64427448      -2.29281565      -0.16767459       0.09120779      -0.39872190 
O       3.84845877       1.09906291      -7.79130880       0.43749740      -0.29595378       0.31681854 
O       9.02856507       1.85092142      -2.63472541       0.73709941       0.30693116       0.78988274 
O       9.07502361       0.94533017      -7.83038652      -0.02279152      -0.07586152       0.12162716 
O       3.88300546       7.04732322      -2.51790840      -0.42376197      -0.36379987       0.67760496 
O       3.84961604       6.21206476      -7.77262227       0.75390906      -0.14683699      -0.49797447 
O       9.01749629       7.10756799      -2.53217124      -1.64801296       0.38452881       1.42730494 
O       9.02093215       6.04434779      -7.74610357       0.79817048       0.21922595      -0.13201554 
O       1.31887464       2.86395840      -0.09528682      -0.67054042      -0.21336824       0.17584555 
O       1.11201717       1.83451232      -5.40438417       0.83485000      -0.79554188      -0.18442062 
O       6.42899867       2.87971684      -0.08132304       0.17596427      -0.51730760      -0.19313999 
O       6.49067432       1.83303682      -5.35816102       0.36948050       1.10486627       0.05584418 
O       1.28784309       7.86701931      -0.14405249      -0.21277142       0.57792945       0.19683112 
O       1.50104467       7.22914175      -5.45125879      -0.99748304      -1.22563472      -0.19133756 
O       6.55399288       7.98415244      -0.12134434      -0.69231459      -0.45214549       0.52632252 
O       6.44580383       7.06401022      -5.35792633       0.16838154       0.16042053       0.21108144 
O       3.43832743       4.60517060      -0.76127246       0.24581600       0.56101725      -0.05442923 
O       3.74243121       3.95954751      -6.01814116      -0.24169567      -0.62457440      -0.04590911 
O       8.68884118       4.65660413      -0.89975754      -0.25708070       0.78926833       0.12979394 
O       8.84021157       3.74622172      -5.96141784      -1.29713919       1.20022579       0.25596478 
O       3.53622199       9.78431938      -0.72276335       0.04200224       0.20390741      -0.43593304 
O       3.36115352       8.88979417      -6.04181200       1.41924312      -0.32627056      -0.06333850 
O       8.70028463       9.93334718      -0.80416536       1.81124869      -2.27513041       0.23319568 
O       8.72545793       8.93210102      -6.05251157      -0.70831645       0.45080616       0.35244467 
O       0.93245645      -0.02902747      -1.83021647      -0.03155320       0.25680412      -0.26403201 
O       0.93397790      -0.88571247      -7.13145750       0.02319651       0.30298098      -0.05237049 
O       6.28287808      -0.12712684      -1.84738167      -0.45341045       0.66335508      -0.46260191 
O       6.14946669      -0.94376513      -7.11220226      -0.70811159       0.04229998      -0.36567036 
O       0.98506771       5.21067854      -1.92467533      -0.27197068      -1.15984552       1.08004415 
O       1.00136936       4.00907694      -7.04089426       1.14154842       2.24833114      -0.54946415 
O       6.01022094       5.21501023      -1.78230776       0.52187244      -0.15255544       0.30286476 
O       6.24077401       4.14681956      -7.11910335       0.65449704       1.17974394       0.29423580 
O       1.71685702      -0.44450144      -4.42531624      -0.65285400       1.37100929      -0.12871095 
O       1.64582772      -1.36956845      -9.79940203      -0.86038576       0.78253581       0.42736107 
O       6.85465975      -0.47968820      -4.51742265      -0.19497284      -0.09108598      -0.05919501 
O       6.87860388      -1.33624968      -9.80859057      -0.62842494       0.10818157       0.85458285 
O       1.38016502       5.82651970      -4.79936892       0.76704035       0.53175019      -1.32179531 
O       1.63531284       3.80052401      -9.71899548       0.44763179      -0.01013934      -0.04770687 
O       6.89924056       4.76436783      -4.47533316       0.21925625      -0.79108602       0.81367061 
O       6.96213468       3.87804775      -9.61651691      -0.13039127       0.10667528      -1.02554368 
O       4.26903713       4.22210619      -3.31984847       0.12839588       0.73475198      -0.72228156 
O       4.28774392       3.47776370      -8.61021152      -0.47088829      -0.76212914      -0.07840696 
O       9.55216715       4.19340640      -3.43917575      -0.60268200      -1.01618442       0.01694225 
O       9.48512835       3.31761044      -8.71883734      -0.25673100      -0.31190096       0.17039847 
O       4.28188088       9.33730015      -3.30564958       0.79090019       0.68824129      -0.30150324 
O       4.13569151       8.54503810      -8.63214934       1.24797304       0.28287322       0.37120760 
O       9.48034819       9.41211470      -3.47609927      -0.05110990      -0.46641621       0.47596218 
O       9.43031424       8.39876103      -8.60695654       0.18705166       1.09267138      -1.11439512 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02163755074811288 0.0024582214962251933 0.0005582714217570988 0.0024582214962251933 -0.01814238984181787 0.001531749950748002 0.0005582714217570988 0.001531749950748002 -0.017506091523164985" pbc="T T T" energy=-946.11533799 free_energy=-946.15680153 config_type=crystal 
Hf       2.86210744       2.12453590      -9.37750218      -1.27524796       0.28414042      -0.26289986 
Hf       8.04913596       2.98082604      -4.15455457      -1.11341392      -0.39074387      -0.24600744 
Hf       8.03748096       2.05833580      -9.45707950      -0.06619190      -0.25339737       0.44310935 
Hf       2.89470138       8.19336399      -4.06449252      -0.88181646       0.35581271      -0.71692314 
Hf       2.76325147       7.20740415      -9.43865223       0.78711868       1.03511114      -0.16856039 
Hf       7.92955001       8.16014557      -4.14549676      -1.22634818       1.19515816      -0.06793093 
Hf       8.07823544       7.27745918      -9.39765752      -0.25949509       0.13244019       0.51765741 
Hf       0.23212148       0.81747948      -3.74225424      -0.22645065       0.01818050       0.09533105 
Hf       0.30083239      -0.03468946      -9.01764744      -0.51823001      -0.75649446       0.65291545 
Hf       5.25841058       0.89088033      -3.72249886       1.53015820      -0.40541353       0.07312497 
Hf       5.39063674      -0.10323412      -9.02298363       0.56054114       0.54821733       1.07319554 
Hf      10.27608509       5.95877567      -3.52218466       1.00822765      -0.53595961       0.54523565 
Hf       0.23524407       4.99847793      -8.98034853       0.11319742       0.03368587       0.71748622 
Hf       5.31048684       5.94155264      -3.69410297       1.24714788      -0.72690043       0.56821154 
Hf       5.40603994       4.96971294      -9.08727273       1.37869978       0.65635257       2.23116533 
Hf       2.46437006       1.23606618      -1.14436551      -0.22335744       0.06415128       0.11485881 
Hf       2.44988360       0.45673792      -6.25577927      -0.34946610      -1.35911492      -0.30039588 
Hf       7.48989319       1.13977287      -1.18417785       0.36042320       1.69173234       0.56649084 
Hf       7.52734117       0.32830818      -6.36855188      -0.40677935       0.61555936       0.08241061 
Hf       2.32110255       6.40003094      -1.07098186       0.74795697       0.53739381      -0.41294656 
Hf       2.59963654       5.34972275      -6.48189435       0.11694691      -0.66162230      -1.71806056 
Hf       7.65025098       6.34640358      -0.96557174      -1.41056678       0.37742205      -1.96246840 
Hf       7.55954038       5.52534440      -6.21702781      -0.31991136      -1.11381573      -1.48465783 
Hf       4.94112349       3.52847865      -1.53294638       0.33382185      -0.49746718      -0.57566709 
Hf       4.98597632       2.57206646      -6.67861830      -0.04789029      -0.08339760      -0.87855996 
Hf      10.27290815       3.42191452      -1.50569915       0.11442318      -0.33454541      -1.63011805 
Hf      10.15160966       2.50512462      -6.77153630      -0.49376949       0.57078255      -0.86650824 
Hf       5.01597933       8.49289213      -1.48443882      -0.30655378       0.76442552      -0.96599711 
Hf       4.94912807       7.72469316      -6.81428617       0.40392123       0.19664806      -0.41693276 
Hf      10.16139452       8.69743302      -1.58406680       0.82768682      -0.16626758       0.08025190 
Hf      10.11115120       7.76098182      -6.78478446       0.45540312       0.61507214      -0.70693536 
O       1.26433411       2.24667827      -2.61347831       0.21049117       0.60575052       0.13146999 
O       1.25924287       1.45002621      -7.98863716       1.09829934       0.22946191      -0.07121179 
O       6.57334210       2.37869960      -2.73660030      -0.36890963      -0.42212205       0.16807908 
O       6.53833398       1.48650710      -7.95731706       0.05699496      -0.05049598      -0.51203261 
O       1.28827543       7.62533708      -2.69883936      -0.31185406      -0.47157344      -0.70863922 
O       1.43984407       6.50103613      -8.02658963      -0.71983860       0.10249814      -0.17952464 
O       6.48840611       7.54247774      -2.69257975      -0.00741142      -0.36824826      -0.39444957 
O       6.59837097       6.62636839      -8.09559002      -0.72123025      -0.35207304       1.21650921 
O       4.08774373       1.21140433      -5.28214560      -0.60514565       0.26449736       0.04112316 
O       3.89783251       0.60476451     -10.29396320       0.02799281      -0.33856100      -1.09301329 
O       8.94028642       1.35210715      -5.14696790       0.87817382       0.46588438      -0.56833191 
O       9.17500318       2.46833683      -0.03696815      -0.05216434      -1.37165705       0.99816358 
O       3.95220524       6.52606921      -5.19972504      -0.29553594       0.30683521       0.13808377 
O       4.02280729       5.64763821     -10.41932066      -1.39624070      -0.06129753       0.08832324 
O       9.07189073       6.63415854      -5.04827826       0.40825349       0.10790158      -0.99832263 
O       9.16981271       5.62819345     -10.40296852      -0.34276649       0.86159716       0.08390103 
O       4.05982293       1.74096419      -2.31981643      -0.39035994       0.16536517       0.17033354 
O       3.82939652       1.07510352      -7.81661552      -0.19035051      -0.20342713       0.74862555 
O       9.04040242       1.87446368      -2.64576320      -0.06708132      -0.32949325       1.44334480 
O       9.02235302       0.97253417      -7.88429295       0.33242394      -0.32971192       0.75853804 
O       3.77756932       7.02747510      -2.49020050       0.72885225      -0.24605205      -0.47332018 
O       3.91877478       6.10111686      -7.88072170       0.57541641       0.58644296       0.01857185 
O       8.93577745       7.09733545      -2.50269410       0.56919912       0.05081614       0.18540284 
O       9.07075611       6.24926902      -7.76789249       0.03543636      -1.06828771       0.53236776 
O       1.25217612       2.88450823      -0.07805389       0.83384606      -0.38272320       0.03138303 
O       1.02724431       1.65719141      -5.43498834       0.45036241       0.80106186      -0.00301260 
O       6.45901550       2.79203428      -0.10069378       0.15354747      -0.39497132      -0.37083618 
O       6.43664416       2.06209132      -5.33031809       0.36477462      -0.46085696       0.18999051 
O       1.25536760       7.98118783      -0.10043043      -0.19718912       0.15373437      -0.08389763 
O       1.40476674       7.21343622      -5.56993251       0.42503129       0.05133433       1.11992282 
O       6.43743143       7.87639458      -0.08372284       1.01030150       0.45308509       0.03143378 
O       6.41620042       7.10557742      -5.30794680       0.06100441      -0.32058316      -0.84159371 
O       3.42846434       4.66358897      -0.86071300      -0.10650574       0.21409386       0.89951161 
O       3.56419173       3.79581676      -5.97025513       0.20174926      -0.74058107      -0.26147180 
O       8.78269069       4.74638779      -0.99378156       0.03797563      -0.65899009       0.59549793 
O       8.78294681       3.85827444      -6.02310584      -0.49489846      -0.04457619      -0.20575111 
O       3.36320612       9.64397951      -0.93942329       0.21955560       0.49147985       0.63876812 
O       3.52761945       8.91165461      -6.00211527      -0.26347276      -0.04647640       0.15159676 
O       8.73155963       9.88865479      -0.75584828       0.43168393      -0.68634988      -0.22259730 
O       8.61581195       8.91311613      -6.13585052       0.01712528      -0.39301117       0.30767736 
O       0.91831692       0.08395149      -1.84379804      -0.90338620      -1.34650362       0.57195188 
O       1.02840303      -0.94074104      -7.00396527      -0.29412017       0.21430650      -0.21583966 
O       6.12556797      -0.12272528      -1.78952587       0.15099172       0.79288861      -0.12263626 
O       5.94327201      -0.80760042      -7.10719968       0.79698405      -0.21736680       0.48651766 
O       0.91973208       5.30739993      -1.86856976      -1.26092139      -1.92719502      -0.42195879 
O       0.97522478       4.15267051      -7.16359107       0.34710392       0.03182304       0.61355401 
O       6.07407419       5.21232159      -1.78978271       0.21397526       0.29969698       0.39395760 
O       6.06747105       4.28214389      -7.02863209       0.79886856       1.06711084      -0.10223706 
O       1.81329392      -0.39290236      -4.25845313       0.17182541      -0.14146162      -0.86717115 
O       1.80618384      -1.26467009      -9.67176207      -0.26809628      -0.06090725      -0.37740457 
O       6.87778377      -0.40981050      -4.53649770      -0.67900740       0.34549102       0.64627773 
O       6.91746202      -1.35586706      -9.65463467      -0.01841255       0.60760639      -0.58729380 
O       1.36799195       5.80557214      -5.00730161      -1.60005899       0.69991317       1.96395274 
O       1.63819490       3.81759493      -9.78087459       0.60933747      -0.23062942       0.28216266 
O       7.02525686       4.78866438      -4.29236099      -0.60644030       0.64728148      -0.72716220 
O       6.92843396       3.71414186      -9.77202732      -0.45071721       0.42510079       0.96589753 
O       4.30073615       4.28981585      -3.29950778       0.12876525      -0.01618944      -0.55972929 
O       4.30853064       3.34236901      -8.73119064      -0.03971953       0.00952128       0.22561251 
O       9.68948789       4.06173095      -3.59641498       0.84770328       1.26164297       0.85966898 
O       9.55218263       3.28055704      -8.71816834      -0.80408500      -0.03588818      -0.20887275 
O       4.37032962       9.34075583      -3.41626211       0.12202709      -0.15060253       0.02147926 
O       4.27813570       8.55377386      -8.67185016      -0.85986333      -1.56650947      -0.45513549 
O       9.46133758       9.31895808      -3.51338874       0.79221429       0.62296791       0.79993623 
O       9.60535694       8.50976743      -8.60380626      -0.58839625       0.07385636      -1.34133457 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01203168586393094 -0.0017623682641119216 0.0025407224379341035 -0.0017623682641119216 -0.012771276240307999 -0.003031995334930305 0.0025407224379341035 -0.003031995334930305 -0.013748607116112527" pbc="T T T" energy=-946.6233534 free_energy=-946.65653872 config_type=crystal 
Hf       2.82711417       2.17050194      -9.43689380       0.15937061      -0.33843923       0.01275824 
Hf       7.95786470       3.00695739      -4.16515596       0.65945201      -0.37305303       0.45100332 
Hf       8.00570131       2.02704753      -9.36558401       0.29832674       1.15768971      -1.01804430 
Hf       2.86868263       8.18734539      -4.19267505       0.58294941      -0.82454361       0.97809146 
Hf       2.81065262       7.32077375      -9.40280481      -0.32132586      -0.53741981      -0.50944010 
Hf       7.92565448       8.23483987      -4.21481690       0.87648841      -0.87632319       0.90552531 
Hf       7.97506158       7.27038799      -9.43298254       0.86652614       0.09841350       0.18439983 
Hf       0.29903508       0.84183113      -3.74562125      -1.00330632      -0.91892860       1.19018120 
Hf       0.24520390      -0.12481589      -8.93243499       0.04274497       0.74804678      -0.64899313 
Hf       5.36580300       0.85655968      -3.77189319      -0.65312644      -0.29171208       0.99765635 
Hf       5.43914238      -0.11027243      -8.99972085      -1.10755704       0.43016308      -0.19326096 
Hf      10.37895638       5.96330145      -3.42087691       0.59088849      -0.27350027      -1.32252431 
Hf       0.14175012       5.01553802      -8.90680295       0.94132466       0.71304786      -0.64102594 
Hf       5.43340299       5.88108732      -3.68938453      -1.28065158       0.37757323      -0.78538181 
Hf       5.48320108       5.12193767      -8.85738909      -0.60073387      -0.40979449      -1.54835313 
Hf       2.36912285       1.23232423      -1.13800436       0.52477472       0.03322575      -0.13083505 
Hf       2.35191289       0.40311125      -6.30760249       0.93422065       0.37044044      -0.11862904 
Hf       7.60528116       1.27966235      -1.06851013      -0.42155272      -0.31659701      -0.47620403 
Hf       7.53053358       0.37760430      -6.34893647      -0.16585693      -0.08305217       0.31853212 
Hf       2.42951385       6.45407350      -1.05838473      -0.45609773       0.22527019      -0.69517394 
Hf       2.47223843       5.24013715      -6.56975044       1.13242409       0.78084584       1.42815788 
Hf       7.55017384       6.30976051      -1.02765235       0.07059161      -0.18959353       0.46865961 
Hf       7.62459256       5.41073542      -6.36762940      -0.37377359       0.87461168       0.86116333 
Hf       4.91298075       3.43496695      -1.61611406      -0.08901453       0.00798051       0.37810282 
Hf       4.94610449       2.53337574      -6.80654199      -0.24683544      -0.25301980       0.85476260 
Hf      10.25506043       3.32999421      -1.52202609      -0.54842418       0.98861142      -0.90720417 
Hf      10.18573607       2.49884805      -6.73604201      -0.72317900       0.40509935      -0.51831943 
Hf       4.99542161       8.65415401      -1.53331810       0.54707893      -0.85841042       0.04595940 
Hf       5.02070182       7.75543972      -6.76115006      -1.07896657      -0.78873521       0.06668045 
Hf      10.14467331       8.58178697      -1.49573189       0.83984257       1.02518588      -0.35192470 
Hf      10.13742764       7.78735894      -6.84989943      -0.73517108      -1.51602796       0.34731636 
O       1.30878307       2.30228466      -2.64445893      -0.33831121      -0.29146898       0.43244808 
O       1.25886726       1.53972438      -7.89049816       0.67352602      -0.91676431      -0.93142549 
O       6.60823302       2.40100629      -2.57908270      -0.41083640      -0.02992024      -1.82314217 
O       6.49698923       1.49046437      -7.90594053       0.63990708      -0.32878108      -0.65519075 
O       1.29238448       7.52639458      -2.72520055       0.33186057       0.17974544       0.28821595 
O       1.36974698       6.54490006      -8.00128732      -0.40956286       0.12792777      -0.01060841 
O       6.53014383       7.55264550      -2.72513723       0.32722918      -0.65511970       0.13635388 
O       6.56894264       6.69851448      -7.97381779      -0.35229613      -0.42049942       0.47933399 
O       4.09097012       1.19824326      -5.34187755      -0.52646129      -0.29653725       0.08790682 
O       3.95074779       0.54004920     -10.39307088      -1.04790395       0.45325044      -0.36647088 
O       9.06304734       1.43728100      -5.28366168      -0.83484774      -0.39110967       1.62484155 
O       9.16308552       0.48498085     -10.42498782      -0.27176025       0.18780441       0.49308164 
O       3.96484005       6.58379627      -5.16144684       0.32189870       0.35658123       0.00010986 
O       3.96126101       5.79094843     -10.44381453       0.06817643      -0.80430880       1.11776780 
O       9.16047495       6.58627010      -5.06788810      -0.29796763       0.53540931      -0.71989195 
O       9.15504509       5.68121682     -10.30539414      -0.57503636      -0.00116994      -0.93189571 
O       4.04615595       1.75138866      -2.38747328      -0.50619253      -0.62188026      -0.34861907 
O       3.77156290       1.02162948      -7.90346460       0.24379134       0.29789460       0.55829653 
O       9.04447417       1.83775307      -2.56079037       0.48707227       0.09627158      -0.10420040 
O       9.02648285       0.95837315      -7.79057533      -0.08840423      -0.10917299      -0.18737883 
O       3.89781402       7.05159668      -2.50101274      -0.53243552      -0.65319442       0.05188124 
O       3.84920687       6.16409646      -7.78067696       1.13364174       0.35640245      -0.69051739 
O       9.01963565       7.01616610      -2.44061065      -0.86452868       0.47006354       0.98047925 
O       9.05635713       6.18732897      -7.76671485      -0.08365923      -0.09582044       0.24653582 
O       1.20122512       2.83370754      -0.05950892       1.20848389       0.03016554       0.60062113 
O       1.05971637       1.76673072      -5.34040201       1.39615950       0.57124347      -0.98886549 
O       6.37423651       2.78705441      -0.11430674       1.25281089       0.39987060       0.87969536 
O       6.43905065       2.00533853      -5.27140792       0.36578666      -0.41647668      -0.38638866 
O       1.24952337       8.03977991      -0.07513694       0.13686719      -0.61250190      -0.40916874 
O       1.39962656       7.20029052      -5.41901495      -0.16836172      -1.77101675       0.09741811 
O       6.51713164       6.21468444     -10.48551414      -0.42615403      -0.95986816      -1.07896371 
O       6.44358966       7.07851840      -5.40720222       0.80263298      -0.43943441       0.43966157 
O       3.46273268       4.69286062      -0.79462295       0.38770329       0.04511298       0.43285324 
O       3.57350268       3.70701698      -6.00478967      -0.73202204       0.51517896      -0.58105009 
O       8.71443840       4.60150653      -0.80561171      -0.37323098       0.45755353       0.22973456 
O       8.73417663       3.77537498      -6.01050146      -0.57561572       0.38710074      -0.29406611 
O       3.52901278       9.80805013      -0.84996250      -1.04226896       0.92931939       0.59249112 
O       3.56457056       8.97812717      -6.05740411      -0.31511601      -0.20803938       0.31278042 
O       8.73030396       9.84954022      -0.76293838       0.11323090      -0.37854256      -0.23760514 
O       8.65401623       8.94304617      -6.04121777       0.27857496       0.16073592      -0.70747053 
O       0.99771602      -0.09186030      -1.94305996       0.17054610       0.31051682       0.47611655 
O       1.02404056      -1.05427795      -7.14627529       0.29980982       1.58653665      -0.16469367 
O       6.17614959      -0.01838563      -1.78916423       0.24143490       0.61495660      -0.55044361 
O       6.04002062      -0.86873078      -7.14051226       1.00747650       0.71406974       0.20640621 
O       1.04680809       5.13361994      -1.91049156      -0.68566024      -0.81094535       0.72498806 
O       0.81180424       4.26289711      -6.95900271      -0.03092512      -0.31746807      -0.60703198 
O       6.14352292       5.13306987      -1.87346723       0.07891870       0.26491212       0.49063068 
O       6.06284665       4.28532986      -7.08512850       1.20354927       0.68060103       0.72045220 
O       1.67783606      -0.46776798      -4.57631581      -0.01042224      -0.42938327       0.73376734 
O       1.64731363      -1.29968121      -9.75593349       0.37962869      -0.20109751      -0.40473405 
O       6.71757176      -0.50781840      -4.56306082       0.35931301       1.05748000      -0.07891765 
O       6.93863422      -1.29340458      -9.69901959      -0.32770164       0.23263484       0.18620289 
O       1.58840897       5.71785881      -4.77748150      -0.78764851       1.60297683      -0.24543763 
O       1.66982431       3.86897746      -9.67291293       0.58411761      -0.04022287       0.03081513 
O       6.87034214       4.70416312      -4.50782932       0.25062490       0.14158892       0.07619876 
O       6.91577329       3.78019146      -9.60212975       0.05014091       0.43857156      -0.82152930 
O       4.27311979       4.17507689      -3.41625266       0.78564516       1.03678541       0.34416650 
O       4.40419793       3.39770095      -8.62559561      -1.80835972      -0.55680371      -0.97229606 
O       9.44885146       4.21019772      -3.42703571       0.45301908      -0.28724789       0.50990022 
O       9.48594721       3.35158961      -8.72996407      -0.70826146      -1.34390958       0.70288816 
O       4.34038219       9.29596419      -3.37016580      -0.04793026       1.39367214      -0.90178520 
O       4.20257592       8.60019851      -8.72934380       0.41853534      -0.95407549       0.51124233 
O       9.49276677       9.35250691      -3.39878084      -0.67485610      -0.09197384      -0.43844601 
O       9.47606572       8.53760606      -8.74555807       0.10879094      -0.61548501       1.22332754 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014183478310058737 -0.004701197247678626 0.002913932277746541 -0.004701197247678626 -0.016819265235904258 -0.003428481653450426 0.002913932277746541 -0.003428481653450426 -0.016118095186725124" pbc="T T T" energy=-946.56773046 free_energy=-946.60265763 config_type=crystal 
Hf       2.80472901       2.09867463      -9.34034628      -0.07526364      -0.27380069      -0.54858933 
Hf       7.97133915       2.97110869      -4.12687807       0.70017962       0.31315273      -0.20036909 
Hf       8.00629875       2.10053831      -9.39936859       0.03698122      -0.82385748      -0.47393102 
Hf       2.85935692       8.22995165      -4.10518407       0.57383130      -0.79815244      -0.75721461 
Hf       2.73873682       7.31771760      -9.45872851       1.22359111       0.52053139      -0.44836848 
Hf       8.01144486       8.21759448      -4.14345671      -0.98468957      -0.45943732      -0.63890366 
Hf       8.04835233       7.13851253      -9.44995957      -1.01306019       1.22306804       0.53420142 
Hf       0.27807817       0.74081502      -3.75439722      -0.64879276       1.28336299       0.11888370 
Hf       0.25296753      -0.06590098      -9.01280426      -0.71893945      -0.51426207       1.43177665 
Hf       5.32119310       0.91346492      -3.74362646      -0.43007008      -0.26323992       0.91687261 
Hf       5.41640603      -0.00833348      -9.00953228       0.37424149      -1.12885960      -0.10783096 
Hf       0.01249797       5.92076627      -3.29943911      -0.53056507      -0.95112189      -1.89668251 
Hf       0.28398765       4.99292808      -8.97434671      -1.13394914      -0.14188070      -0.49568906 
Hf       5.38220647       5.96157249      -3.69483612       0.33227593      -0.86778487      -1.07147694 
Hf       5.40889509       4.95328792      -8.89974488       0.56675593       0.74033592      -0.93757234 
Hf       2.38894421       1.34942813      -1.15192510       0.07559073      -0.79886947       0.44990411 
Hf       2.40312572       0.42026376      -6.34962594      -0.65418552      -0.37522810       0.72789075 
Hf       7.57817849       1.12369239      -1.10696285      -0.08615426       0.91767221       0.18284210 
Hf       7.50663528       0.41120514      -6.31091889       1.14898644      -0.28619383      -0.29587472 
Hf       2.48104098       6.33169077      -1.06803172      -0.54615544       0.12284726       0.43005266 
Hf       2.56018697       5.48301415      -6.56564366      -0.45660807      -1.45439523       1.09074033 
Hf       7.52036294       6.29274157      -1.06986533       0.46408572       0.95055624       0.61857092 
Hf       7.60000881       5.47422617      -6.38336033      -0.43015910       0.37653628       1.76573435 
Hf       4.92440145       3.47605253      -1.58025026       0.08902384      -0.78409941       0.51239484 
Hf       4.94265720       2.54821004      -6.73652073      -0.05710134      -0.07507445       0.45591275 
Hf      10.18133827       3.35369615      -1.49165304      -0.49018649      -1.04792576      -0.44303459 
Hf      10.15054393       2.55267687      -6.80733079       0.28073086      -0.09954695       0.85116051 
Hf       4.96457688       8.58718353      -1.48687076       0.46446781       0.42074636      -0.00254320 
Hf       5.01218843       7.78674234      -6.85309402       0.40106794       0.26173459       0.50368689 
Hf      10.28094805       8.60852912      -1.53867277      -0.94417484       0.10526796       0.64479157 
Hf      10.05308951       7.70110090      -6.86754178       0.15632800       0.57106575       0.44353443 
O       1.16566693       2.25105578      -2.60955656       0.04193980       0.09118815       0.38299898 
O       1.30936669       1.55456676      -7.91225527       0.52725973      -0.77584492      -0.94178799 
O       6.60816497       2.43801028      -2.64931923      -1.55580638      -0.49620250      -0.21987502 
O       6.49636809       1.50472490      -8.02363015       0.53324698       0.50343824       1.27750326 
O       1.39857309       7.42117660      -2.65767402      -0.70231784       0.34732767      -0.11151164 
O       1.27201794       6.64776132      -8.17166645       0.75473232       0.03500198       1.84069621 
O       6.44529075       7.53210958      -2.73719075       0.78764244      -0.01652303       0.24207673 
O       6.54891369       6.75794856      -7.94699740       0.39603775      -1.31844579      -0.36528237 
O       4.01408703       1.24377686      -5.26809320       0.13074253       0.24610133      -0.16409578 
O       3.92589774       0.51475670     -10.38574819       0.14004913       0.55006098      -0.08866764 
O       8.95399070       1.41378365      -5.16101044       1.55509011      -0.04827326       0.04262669 
O       9.16966174       0.41613385     -10.41504009       0.24846259       0.64415994      -0.29288080 
O       3.91899723       6.57432734      -5.23109712      -0.16606169       0.36701967       0.26936610 
O       3.96761446       5.59453348     -10.39063663      -0.36738972       0.38216810      -0.30596984 
O       9.09126686       6.60162305      -5.09099873       0.20071008       0.23094938       0.18318306 
O       9.12482326       5.67028402     -10.34771811       0.90579734      -0.82941064      -0.55058658 
O       3.84148709       1.83469139      -2.41752112       1.50367153       0.15479926      -0.67264898 
O       3.87320970       1.03218466      -7.81369100      -0.46437020      -0.73082387       0.40936352 
O       8.99932709       1.78472301      -2.59369080       0.39049925      -0.01162030       0.64857314 
O       9.09562653       0.94163060      -7.82006286      -0.76309781       0.37081589       0.60406752 
O       3.85217008       7.03002576      -2.52363142       0.36351192       0.05213855       0.15957513 
O       3.95117857       6.20936936      -7.87044950      -0.58419001       0.04620402      -0.15144160 
O       8.99457862       6.98979665      -2.44533350      -0.54550029       1.08588503       0.45555370 
O       9.09263620       6.03712884      -7.73419559      -0.29340629       0.27730500      -0.41103528 
O       1.34617524       2.85340802      -0.02290272      -1.16921229       0.13272052      -0.52038597 
O       1.16423297       1.70442735      -5.36075015      -1.01695917       0.77595479      -0.74817378 
O       6.51108719       1.00598965     -10.48735458      -0.40386130       0.13864356      -1.42531803 
O       6.45720676       2.00040897      -5.31149558      -0.67401903       0.24935036      -0.45639342 
O       1.27396966       7.96860210      -0.06764645       0.21581304      -0.41574111      -1.05434985 
O       1.26502361       7.02226150      -5.44019400       0.82488097       0.97851863      -0.32620101 
O       6.47839912       8.01199316      -0.01744924      -0.72140529      -0.95334960      -0.96471373 
O       6.40721853       7.10013827      -5.38051435       0.25721167      -0.11755299       0.24402982 
O       3.42930824       4.60669044      -0.72993767       0.57274299       0.22241774      -0.25042487 
O       3.55393858       3.81276503      -6.17781726      -0.70086613       0.87372764      -0.02259634 
O       8.60963960       4.58217091      -0.84017837       0.21913805       0.03262185       0.17283540 
O       8.74534121       3.80180153      -5.99401617      -0.00865514      -0.09712485      -0.64507602 
O       3.50282290       9.84099967      -0.83044107      -0.52895398      -0.50247150       0.56312350 
O       3.54924996       9.01685852      -5.98292892       0.37002938      -1.00248689      -0.33730370 
O       8.69337935       9.71400187      -0.86590376       0.05434032       0.15496409      -0.02349075 
O       8.62008756       8.87570399      -6.01868677      -0.05358722       0.77153251      -0.39996803 
O       0.99663242      -0.08209888      -1.85228303       0.25070658       0.27443881       0.13807785 
O       0.83424312      -0.91114107      -7.09814282       0.46378601       0.10090840       0.13703687 
O       6.04277280       0.02657371      -1.81563274       0.27027186       0.11546926      -0.02435221 
O       6.23215702      -0.86044076      -7.16461866      -1.44366774      -0.47283275      -0.09126282 
O       0.88388130       5.05401531      -1.70613579       0.47556182       0.82069073       0.01719050 
O       0.95101009       4.26499282      -7.15183430       0.18818791       0.05980753       0.58315259 
O       6.10002562       5.15517453      -1.79957986      -0.16088382       0.29176274       0.00965772 
O       6.06137922       4.30797116      -7.07762247       0.45812485       0.01110536       0.08105085 
O       1.66213695      -0.54145931      -4.49108739      -0.01344675      -0.01003830       0.10782411 
O       1.80000671      -1.18119826      -9.60107475      -0.26706913      -0.80203083      -0.88015515 
O       6.83394597      -0.29852486      -4.42942512       0.38247005      -1.03901770      -0.10938618 
O       6.94286868      -1.32170130      -9.72675993      -0.32433328      -0.36016074       0.05788694 
O       1.38920603       5.71178633      -4.78943642       0.34051707      -0.74933092      -0.38093664 
O       1.77649586       3.85124845      -9.66467585       0.14598751       0.05523398      -0.12416069 
O       6.95674503       4.72829629      -4.47913825      -1.07852428       0.76933206       0.49776820 
O       7.00165458       3.86465436      -9.66487862      -0.83663912       0.19532691       0.30626341 
O       4.25661657       4.35040364      -3.21348783       0.05095542       0.29823395      -1.11615086 
O       4.34696538       3.21309547      -8.67277736       0.70462114       1.58193845      -0.44703130 
O       9.47781566       4.17428652      -3.36236670       0.39292910      -0.10889289       0.28039182 
O       9.49526699       3.27922836      -8.75173672       0.77068067       0.34849003       0.71147615 
O       4.26827687       9.41176845      -3.32600517      -0.11504565      -0.10204493      -0.59947946 
O       4.19506820       8.60184031      -8.73285877       0.81349021      -0.56159633       0.91142763 
O       9.53975158       9.30831743      -3.43982563      -0.00640353      -0.31381868       0.14476450 
O       9.47509018       8.40176895      -8.75564798       0.60458745       0.55709174       0.43492975 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014940659406231677 -0.003153552420130284 0.0015210593940530432 -0.003153552420130284 -0.023312534744983345 0.0048466844723540235 0.0015210593940530432 0.0048466844723540235 -0.01531270953619947" pbc="T T T" energy=-946.22234998 free_energy=-946.25880025 config_type=crystal 
Hf       2.82942207       2.03905536      -9.44661262       0.14765999      -0.10968537       0.81629791 
Hf       8.06340984       3.05894680      -4.17697594      -1.62011525       0.18627186       0.41028725 
Hf       7.98643697       2.12822566      -9.41426462      -0.85652963      -0.95933521      -0.47185850 
Hf       2.86672665       8.25523467      -4.14763657       0.10381862      -1.01696573       1.20448738 
Hf       2.81867029       7.24835965      -9.44691545      -0.37223216       0.10929983      -0.07551360 
Hf       8.00341108       8.25614632      -4.25544146      -1.35507642      -0.98078231       0.81065944 
Hf       8.04662806       7.25422661      -9.37284832      -0.67735136       0.07254277       0.98329972 
Hf       0.13653263       0.77479819      -3.78573485       1.95796041       0.28646911       1.60777686 
Hf       0.19742797      -0.13375253      -8.96451742       0.56891776       0.12081637       0.30491813 
Hf       5.31140638       0.88231181      -3.70526572       0.22766309       0.06924486      -1.17103622 
Hf       5.38473339      -0.15314303      -8.96654719       0.07854921       0.05468674       0.73496561 
Hf       0.00300113       5.98414573      -3.45120554       0.39905665      -0.04759059      -0.19429418 
Hf       0.25094048       4.95840749      -9.01918147       0.34034661       0.47489959       0.19025575 
Hf       5.32750708       5.81626234      -3.69156351       1.07374436       0.95951474       0.29431162 
Hf       5.39558388       5.10311019      -8.93415729      -0.05023330      -0.30790894      -0.24533152 
Hf       2.38756448       1.17132708      -1.14809858      -0.15557154       0.63957107       0.06560852 
Hf       2.39504757       0.46087097      -6.30085377      -0.49971302      -0.65512364      -0.20913486 
Hf       7.55816512       1.30671827      -1.09911314      -0.75654690      -1.21474579       1.06697436 
Hf       7.63471053       0.37102831      -6.37579676      -1.92563682       0.27491527      -0.10162763 
Hf       2.39051616       6.29560172      -1.11696308       0.92305457       1.62661425       0.57272924 
Hf       2.57035118       5.31864691      -6.58459911      -0.75869051       0.25355428       1.15144921 
Hf       7.55011410       6.39102966      -0.99781819      -0.47219628      -0.30056005      -1.69265112 
Hf       7.56630176       5.54132951      -6.33945896       0.18100471      -0.18023537       0.68670234 
Hf       4.96906736       3.39573665      -1.59068028      -0.51781315       0.40261124       0.18316491 
Hf       4.93414215       2.68694323      -6.67148116      -0.12638332      -1.61068571      -0.13488498 
Hf      10.20848177       3.37823294      -1.54250254       0.36363340      -0.46840207       0.94509624 
Hf      10.18881170       2.57237513      -6.79744649      -0.10015463      -0.40922606      -0.02169571 
Hf       5.06277888       8.57277761      -1.55041789      -0.70492422      -0.55652261      -0.18549622 
Hf       4.94764496       7.72644644      -6.68551466       0.31515767      -0.27530129      -0.63822402 
Hf      10.11697361       8.65456775      -1.49516181       1.45252578      -0.49142401       0.74349173 
Hf      10.22382201       7.72221677      -6.77943925      -0.34686043      -0.12199528      -1.10498361 
O       1.18069774       2.27484465      -2.59123892       0.01444211      -0.81333356      -0.19825403 
O       1.34070475       1.44114505      -8.00113957      -0.08424243       0.34241982       0.27369718 
O       6.52228959       2.40791163      -2.75935066       0.28468106      -0.15048700       0.52245523 
O       6.51697932       1.42626667      -7.95545783       0.47551187       0.31579508      -0.11032020 
O       1.34914479       7.58353217      -2.67690741      -0.21937327      -1.13303990      -0.44932395 
O       1.37721698       6.47045766      -8.07136633      -0.31490033       0.51194590       0.53580748 
O       6.58188542       7.44359545      -2.73032599      -0.11675747       0.64438002       0.02098108 
O       6.56287564       6.56543763      -7.96882381      -0.09798910       0.26955057      -0.06328606 
O       3.99573652       1.26792712      -5.37196435       0.91917661       0.23564452       1.57843911 
O       3.87579428       0.46703289     -10.44877154       0.24530790      -0.15050377       0.85502110 
O       8.99287565       1.34786281      -5.05861398       0.09335723       0.68332248      -0.50442815 
O       9.05651704       0.51546106     -10.42099445       0.52623924      -0.00439108       0.70745111 
O       3.92262708       6.52827437      -5.10796432      -0.27422981       0.52342363      -0.28538037 
O       3.91168932       5.67838421     -10.35439712       0.70497038      -0.51784397       0.09748626 
O       9.28121600       6.73333441      -5.12471779      -1.05554506      -0.13620012       0.20538194 
O       9.23268231       5.76636371     -10.34264633      -1.05039830      -1.52084625       0.10481985 
O       3.94172735       1.77170271      -2.43836604       0.02048732      -0.63452866      -0.05660746 
O       3.83052023       0.94843316      -7.78602406       0.46410608       0.61400689      -1.10701055 
O       8.97651218       1.89781457      -2.42591603       0.50880545      -0.23756905      -1.43190848 
O       9.12657714       0.97031599      -7.82217989      -0.76630592      -0.10944485       0.92255734 
O       3.89295791       6.99064777      -2.47727617      -0.12755011       0.08657779      -0.29001646 
O       3.91078682       6.15352056      -7.76075451       0.73167504       0.52845551      -0.69840347 
O       9.04227974       6.98710671      -2.45322269      -0.54710979       0.40405575       0.85728822 
O       9.07553970       6.10483515      -7.68348858       0.35946858      -0.11505956      -0.37932761 
O       1.22460869       0.91558252     -10.49671595       0.13384837       0.81611185      -1.06208373 
O       1.05448340       1.74842442      -5.38765811      -0.21344662       0.53695938      -0.54374146 
O       6.34917606       2.75878120      -0.06475438       0.66275173       0.04691621      -0.43925616 
O       6.42888697       2.04150517      -5.26984123       0.22101598       0.00462097      -0.48337818 
O       1.26350569       7.95044685      -0.09368800       0.23150739      -0.99217035      -0.30068375 
O       1.32312344       7.19212903      -5.34601625       0.87056923       2.50643648      -0.93972391 
O       6.47882720       8.02310800      -0.10999447      -0.01101797      -0.51249060       0.57246774 
O       6.42659539       7.08465138      -5.35137103       0.56116495       0.08314774      -0.25459521 
O       3.54456529       4.58989635      -0.76181009      -0.57012933       0.78093419       0.23702095 
O       3.58236934       3.91428188      -5.88581510       0.51345141      -1.57923156       0.23054744 
O       8.53405778       4.54669366      -0.88393494       0.51638042       0.72252614       0.17422014 
O       8.58897382       3.75431204      -6.07495647       1.20109978      -0.69531252      -0.24953226 
O       3.44084168       9.68155350      -0.85166444       0.25849047       0.63376296      -0.15816469 
O       3.48196906       8.89426882      -6.00752633      -0.31470136       0.46482444      -0.16976098 
O       8.62699295       9.73380126      -0.65940020       0.29324862       1.72913889      -1.90020017 
O       8.78130535       8.99128487      -6.10003355      -0.35623077      -0.02998593       0.33606858 
O       0.94641394      -0.05470367      -1.85519621      -0.80145470      -0.13427845      -0.12734851 
O       1.01618436      -0.90736395      -7.08523130      -0.67250581      -0.58742808      -0.17194993 
O       6.14609400      -0.06013123      -1.79786638       0.35811632       1.41380443      -0.44413199 
O       6.07778924      -0.94093645      -7.04046436       0.70944111       0.97182458      -0.19448856 
O       0.96001577       5.13018622      -1.81770293      -0.72173394      -0.51154181      -0.25772902 
O       0.98733311       4.15975355      -7.12189703      -0.49349478      -0.35370179      -0.30542123 
O       6.04252614       5.23157124      -1.68265459      -0.43484746      -0.61325894      -0.79996878 
O       6.03508087       4.34337827      -6.88432339       0.56802599       0.66858560      -0.84076185 
O       1.70593287      -0.40624476      -4.40856718      -0.28344628      -0.18152979      -0.10975084 
O       1.65113788      -1.37120576      -9.71342587       0.50612132      -0.38253900      -0.33299863 
O       6.88761652      -0.34704027      -4.54111775       0.18188344      -0.49134013       0.38456695 
O       6.96318929      -1.29158699      -9.61276957      -0.37841479       0.15355166      -0.15007910 
O       1.33184994       5.83586716      -5.01491349       0.09437214      -2.25500027       0.87997134 
O       1.68760543       3.70139241      -9.75055562      -0.34729864       0.82807593      -0.14416815 
O       7.17960968       4.94174767      -4.32298489      -0.75686019      -0.84330175       0.32060044 
O       6.80170894       3.84100945      -9.74327451       0.60657573      -0.38306394       1.34699480 
O       4.27048315       4.21170881      -3.33283265       0.59236515       0.22443988      -0.06253369 
O       4.22503631       3.48432095      -8.53819630      -0.57804328      -1.16636245      -0.13596548 
O       9.73261073       4.10386686      -3.47119382      -0.47019421       0.02625776      -0.37814669 
O       9.48692296       3.21028847      -8.73656642       0.60760521       1.49547043       0.04349330 
O       4.38623716       9.34953763      -3.46620520       0.08915639      -0.02992069       0.32135206 
O       4.31666271       8.40610163      -8.63489892      -0.14071715       0.34339766      -0.50211087 
O       9.44878268       9.26965359      -3.30998044      -0.01391692       1.35691381      -1.15678774 
O       9.52816973       8.40517806      -8.63487665       0.28569435       0.46937142       0.03533347 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01873109027456357 -0.0008440648692806091 0.006558211456583003 -0.0008440648692806091 -0.016958663668699067 0.0005679264871220371 0.006558211456583003 0.0005679264871220371 -0.022982741460559952" pbc="T T T" energy=-946.28308847 free_energy=-946.32161827 config_type=crystal 
Hf       2.75715621       2.14624699      -9.40152510       0.87169489      -0.73242622       0.13001427 
Hf       8.02923356       2.93786585      -4.18368581       0.30260531       0.13034113      -0.36718086 
Hf       8.11514010       2.11920051      -9.40022345      -1.06921401       0.01104993      -0.44694489 
Hf       2.79868799       8.09272712      -4.03786891       1.88025752       0.70812013      -0.17985659 
Hf       2.73600459       7.22631073      -9.41063047       0.55356490       0.38640068      -0.94197195 
Hf       7.94713236       8.26962054      -4.25780755       0.30138688      -0.48078790       0.74921896 
Hf       8.03977400       7.22519016      -9.35468588      -0.19888573       1.00474787      -0.07408360 
Hf       0.36141613       0.87454866      -3.77982460      -1.66692228       0.12579769       0.18072869 
Hf       0.23808696      -0.06817187      -8.97111169       0.70305394      -0.48984948       0.27774508 
Hf       5.36317395       0.83668296      -3.70499795      -0.71723695       0.32023130      -0.75677234 
Hf       5.27592643      -0.14282032      -8.91316547       1.47248848       0.58230751      -1.25579823 
Hf       0.00251507       5.92506759      -3.45490248      -2.08890563      -0.06791554       0.58028802 
Hf       0.24497500       5.04240708      -8.95349569      -0.76645662       0.85938855      -0.08921245 
Hf       5.45908323       5.83894085      -3.66518604       0.11156340       1.44316826      -0.23818139 
Hf       5.44624571       4.98124851      -8.96836347       0.34627211       0.56086820      -0.40968679 
Hf       2.38418109       1.25961014      -1.18967291      -0.05186072       0.34777526       1.02193683 
Hf       2.44043405       0.42713375      -6.25258930       0.74172133      -0.25000919      -0.52723582 
Hf       7.42610603       1.26891420      -1.17526233       1.72869254      -0.37284660       1.35615345 
Hf       7.56470675       0.38181535      -6.34113895       0.10190821       0.40343580      -1.11603361 
Hf       2.38386149       6.31133485      -1.07003796      -0.64266543       0.95052670      -0.64673957 
Hf       2.53235750       5.32536591      -6.47498213       1.06150889      -1.23981543      -0.18609592 
Hf       7.58647867       6.45991295      -1.04341320      -0.22561101      -1.12991155      -0.27227126 
Hf       7.60265522       5.50205300      -6.30463576       0.03398715      -0.56198449      -1.39928052 
Hf       4.85031439       3.44072305      -1.59687573       0.58879828       0.18705606       0.02409401 
Hf       5.02043937       2.51865882      -6.79646773       0.58362797       0.03655120       0.41010830 
Hf      10.13152262       3.36275953      -1.50447573       0.80967729      -0.81330226      -0.65269148 
Hf      10.25773988       2.56458704      -6.79790106      -1.07659371      -0.90795353       0.54606672 
Hf       4.97601493       8.63609040      -1.48513071      -0.26484405      -1.57861954      -0.87162029 
Hf       4.92870449       7.69995303      -6.81262907       0.54547571       0.50719772       1.13999145 
Hf      10.09000477       8.72963431      -1.59326468       0.72325143      -0.22274828       0.86906195 
Hf      10.22781292       7.75281161      -6.86012700      -0.24597148       0.18821977       0.95246295 
O       1.22771518       2.34218966      -2.67567811       0.36981554      -0.10214557       0.35183958 
O       1.42218773       1.46193449      -7.98162571      -1.21288676       0.25232343      -0.24304001 
O       6.49555422       2.49702036      -2.78723864       0.09678532      -1.05647018      -0.21825470 
O       6.57474749       1.46085111      -8.10107606      -0.67739955       0.05193181       0.40934516 
O       1.23258376       7.41060060      -2.64474664       0.66716565       1.10127069      -0.63596357 
O       1.33470114       6.63517700      -7.95544428      -0.27623109      -0.41397908      -0.03016022 
O       6.55932331       7.45895531      -2.75133882      -0.03251260       0.62471559       0.11148151 
O       6.54176599       6.65564222      -8.04602884      -0.58876331      -0.53201588       0.84741046 
O       4.18908267       1.19874620      -5.31723604      -0.31123803      -0.02369152       0.08462288 
O       3.81246232       0.49184753     -10.36358166       0.28655478       0.37703143       0.04687365 
O       9.17199208       1.38203076      -5.19089447      -0.03624923       0.54442162       0.32879837 
O       9.21490722       0.53734533     -10.38029943      -1.15846976      -0.17679007       0.08039622 
O       4.09177890       6.58514920      -5.11223648      -0.64516093      -0.09824296      -0.45190250 
O       3.97442925       5.61958269     -10.44347137      -0.69673786       0.30504266       0.45190599 
O       9.33415435       6.76008096      -5.12445464      -0.45079168      -0.26245362      -0.09361028 
O       9.16318443       5.73694559     -10.33184291      -0.05721393      -0.65786191      -0.46460228 
O       3.90272021       1.77646095      -2.46564110       0.40943240      -0.09201847       0.12636544 
O       3.87044837       1.10082098      -7.82273589      -0.10336079      -0.88270847      -0.06114412 
O       9.02630850       1.79025961      -2.51674850      -0.92126588       0.36841194      -0.02697047 
O       8.99285685       1.00320839      -7.81112235       1.36369334      -0.07491323       0.30722462 
O       3.74616777       6.93716489      -2.48909878       0.85902223       0.87254093      -0.22077743 
O       3.77261263       6.14626385      -7.83071130       1.39010104       0.03603027      -0.10481418 
O       9.03709467       7.07802856      -2.46387627      -0.62628906       0.00397827       0.13253106 
O       9.12360998       6.03246919      -7.70960175      -0.35351905       0.89092521      -0.01389382 
O       1.26193354       2.80052331      -0.10375681       0.08549601       0.15963991       0.28687257 
O       1.24376767       1.79985407      -5.43669909      -0.26454880       0.71905252       0.16432379 
O       6.36213920       2.74808604      -0.25990239       0.18829462      -0.05955477       1.10151204 
O       6.61650598       2.00575176      -5.39488167      -1.09533735       0.21470331      -0.40327032 
O       1.27676880       8.00781601      -0.06237295      -0.16097562      -0.09751180      -0.61717627 
O       1.61988730       6.99902054      -5.45605115      -1.04756065       0.21914702       0.14358678 
O       6.40277398       7.92493131      -0.10934627       0.92389014       0.42249201       0.13377173 
O       6.52580068       7.09855650      -5.41878468       0.20535503       0.33598750      -0.21422841 
O       3.43382428       4.61087349      -0.73149973       0.16739392       0.44901709      -0.46440564 
O       3.61239127       3.70652911      -6.11761446      -0.66014554       0.84790074       0.30678770 
O       8.67007329       4.60717526      -0.86853951      -0.51543343       0.85031782       0.56324297 
O       8.72484511       3.73875045      -6.12148834      -0.14789204       0.39684617       0.76063734 
O       3.62045923       9.85912835      -0.75764650      -1.36640335       0.14359548       0.25502911 
O       3.45290533       8.91786414      -5.96559099       0.34706530      -0.98470195      -0.15941451 
O       8.68356852       9.82577623      -0.68679402      -0.63122109       0.64618068      -0.56498777 
O       8.59678161       8.94135570      -6.13794391       0.50365861      -0.34828466       0.02353321 
O       0.87052572       0.06678003      -1.89484379       0.69925154      -0.84769714       0.75648792 
O       0.97773362      -0.80166714      -7.08671272      -0.80144758      -1.11829499       0.47143709 
O       6.06629757       0.00914954      -1.84746683       0.66859347       0.48608821       0.32479252 
O       5.98284917      -0.79482334      -7.06549807      -0.04881303      -0.40641891       0.77320545 
O       0.85220441       5.04770435      -1.87951367       1.28832583       0.43170614       1.21615518 
O       0.93002398       4.24886927      -7.03018744       0.58331916       0.40347640      -0.46400032 
O       6.12841117       5.20296643      -1.69547780      -0.58631420      -0.41014456      -0.25585780 
O       6.12326070       4.27794448      -7.15145481       0.60626900       0.54674471       0.85565065 
O       1.70882439      -0.45548231      -4.41770973       0.46469640      -0.81820309       0.20717952 
O       1.71169086      -1.31822255      -9.62972927      -0.24104149       0.06771579      -0.91170530 
O       6.97285227      -0.23290920      -4.40285633      -0.05661113      -1.00199260      -0.15457343 
O       6.90936912      -1.33743785      -9.53906911      -0.41428045       0.60214421      -1.09234002 
O       1.48956225       5.64960363      -4.74786681       0.99786197       0.33584935      -0.28695718 
O       1.70777611       3.91996229      -9.73998090       0.14939085      -1.12053650       0.89833037 
O       6.96968531       4.79929223      -4.51541683       0.39767412      -1.06040247       0.88008987 
O       7.07524000       3.90469346      -9.60605612      -0.54307606      -0.10286906      -0.30121279 
O       4.30973415       4.32969994      -3.33302324      -0.26913505      -0.72533442       0.09818266 
O       4.23434612       3.40668146      -8.60767867      -0.14035323      -0.26920909      -0.70219900 
O       9.53492706       4.11032672      -3.42212469      -0.29502750       0.34318728      -0.61416476 
O       9.59653652       3.31339326      -8.68707874       0.01854160      -0.36003567      -0.39530829 
O       4.39281536       9.27585000      -3.43108494      -0.62186882      -0.04535524       0.06426174 
O       4.18497798       8.48039485      -8.60166498       0.15636639      -0.09557098      -0.00555948 
O       9.42633393       9.41286870      -3.40840379       0.35054966      -0.02847744      -0.26735063 
O       9.58009855       8.41661813      -8.60241084      -0.62763733       0.32683503      -0.94818225 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012831533766692198 0.0011641269668937614 0.0061060661995649065 0.0011641269668937614 -0.019587697787232624 -0.002400827056182694 0.0061060661995649065 -0.002400827056182694 -0.020993078580316283" pbc="T T T" energy=-946.30838292 free_energy=-946.34330342 config_type=crystal 
Hf       2.84261868       2.10861464      -9.45472411      -0.56375416      -0.51580737       1.00974459 
Hf       7.93185166       2.96344761      -4.15794363      -0.00849994       0.02656323       0.18020196 
Hf       8.07213841       2.19325129      -9.42982785      -1.05466701      -0.71703409       1.20033516 
Hf       2.84634692       8.08490968      -4.18872410       0.69027663       0.45957914       1.34287688 
Hf       2.90741214       7.27307443      -9.44687398      -0.82405882       0.53803906      -0.69619594 
Hf       8.04186286       8.28168253      -4.17415548      -1.10102799      -0.65396123       0.42520877 
Hf       7.93720370       7.24934643      -9.46914204       0.24168575       0.30436598       0.16538191 
Hf       0.29148695       0.86723236      -3.69763715       0.23826560      -0.89177023      -0.54284975 
Hf       0.21587480      -0.14201999      -8.91066559       0.33905840       0.04174129       0.37766131 
Hf       5.33300749       0.86059494      -3.68923584      -0.02734940      -0.69672742      -1.24585807 
Hf       5.35928891      -0.07159265      -8.96108625       0.89521388       0.19676282       0.12415383 
Hf      10.25537858       5.96243944      -3.38102866       1.56521195      -1.09790217      -0.52509629 
Hf       0.25213443       5.03915730      -9.01653134      -0.26459764      -0.12456162      -0.07780001 
Hf       5.46898414       5.90789960      -3.79770646      -0.44123537      -0.11733952       1.51303912 
Hf       5.43370774       5.01776028      -8.90900587      -0.10592734       0.94740290      -1.16546831 
Hf       2.32104810       1.29219346      -1.09741803       1.39231775      -0.44097652       0.58271448 
Hf       2.39261344       0.39423815      -6.31094494      -0.06183032      -0.40064088       0.45962418 
Hf       7.55802807       1.30286454      -1.02442321      -0.75472559      -0.70530299      -0.12870012 
Hf       7.68819706       0.46249745      -6.36142492      -2.34048257      -0.82256413       0.90742577 
Hf       2.38544320       6.27432525      -1.08016368       0.81957045       1.34565380      -0.40970965 
Hf       2.52877898       5.36086175      -6.53561367       0.25522347      -0.72670008      -0.54602734 
Hf       7.49853387       6.34923312      -1.03140022      -0.79298344       0.42798392      -1.57506609 
Hf       7.64300479       5.45804700      -6.38036619      -0.81471355      -0.18527059       0.68777277 
Hf       4.94048916       3.41116908      -1.62344546      -0.53203929      -0.07758193       0.20187262 
Hf       4.87483310       2.46807537      -6.81921420       2.19075485      -0.15878278       0.94812234 
Hf      10.12887913       3.31316618      -1.49397609       0.94971849       0.32030022      -0.12338750 
Hf      10.19703281       2.56184248      -6.76999764       0.99343063       0.58617995       0.66185306 
Hf       4.99672965       8.70231241      -1.55726353      -0.11097011      -2.18549606       0.11942985 
Hf       4.96764285       7.75129633      -6.74610346       1.84346458       0.47949001      -0.93105037 
Hf      10.22754370       8.67580241      -1.46100309      -0.01059189      -0.39820024      -1.06006418 
Hf      10.11251109       7.67485878      -6.81916779       0.76562012       0.35456300       0.34307938 
O       1.27675155       2.20122770      -2.56694760      -0.89239710       1.85758953      -0.05939334 
O       1.36877414       1.46144453      -7.97800657      -0.58671180      -0.68898420       0.51076848 
O       6.53318496       2.35720947      -2.68218690      -0.25046429       0.03222821      -0.36831895 
O       6.68799693       1.50315210      -7.94165848      -0.90844675       0.30012742      -0.78792315 
O       1.25408772       7.46661376      -2.79798168      -0.23272755      -0.06863399       0.36792528 
O       1.36787361       6.57930796      -8.14931238      -0.15228362       0.21285141       0.87660104 
O       6.43827169       7.41204931      -2.67056139       0.58171426       0.40326344      -0.46107949 
O       6.54031250       6.66328891      -8.04741723       0.24281653      -0.07611576       0.64978149 
O       4.08779526       1.08526772      -5.41914233       0.30413032       0.44589667       0.95154560 
O       3.84960097       0.51351875     -10.37986240       0.13117378      -0.02363771      -0.42576203 
O       9.09147269       1.53419791      -5.11504591       0.58111312      -1.01414053       0.25236399 
O       9.04100662       0.54291683     -10.29461046       0.95092494      -0.33285171      -0.14658728 
O       4.07062177       6.55581490      -5.23034475      -0.71845390      -0.48951574       0.24619623 
O       3.99629698       5.73055266     -10.44795103      -0.52575227      -0.40793464       0.81654267 
O       9.31912001       6.72348554      -5.06219206      -0.73961435      -0.49289807      -0.63906810 
O       9.09719982       5.57487773     -10.44277938       0.29178203       1.15271198       0.45287863 
O       3.94962356       1.71302436      -2.42152195       0.09050210       0.12609439      -0.05717307 
O       3.84919118       0.99856060      -7.90818671      -0.16015363       0.17063959       0.49160886 
O       8.95551205       1.82452945      -2.45242570       1.06101395       0.35749775      -0.49365450 
O       9.12568066       1.03162885      -7.69181376       0.80525805      -0.54034712      -0.57102216 
O       3.81199081       6.93775581      -2.49279656      -0.14308590       0.44921426      -0.88390570 
O       3.86555111       6.24500996      -7.87616623       0.56893240      -0.87786140       0.77829916 
O       8.91120180       7.08640988      -2.49327486       0.12090404       0.31926998       0.73178563 
O       9.08554659       6.05929248      -7.76522020      -0.21808982       0.25596547       0.04054869 
O       1.18852423       1.00440139     -10.48245469      -0.30647284       0.43079729      -0.92969834 
O       1.23166411       1.81500120      -5.33802237      -0.77145611      -0.26028697      -0.79522267 
O       6.37943374       2.76623638      -0.05904332       0.13229669       0.72725667      -0.44114925 
O       6.44805883       1.92093642      -5.34909786       0.04278619       0.62028973       0.33181502 
O       1.33470664       7.90823775      -0.13382565      -0.60367512       0.09499457      -0.50250010 
O       1.44067716       6.96896435      -5.43310894       0.22602711      -0.95415772      -0.32901851 
O       6.40721812       7.95934732      -0.10254829       1.16038985       0.13360198       0.17488905 
O       6.53959733       7.14389036      -5.32913929       0.17453932      -0.74361270      -0.83147683 
O       3.57181509       4.65786672      -0.68444577      -0.03122687       0.37961526      -0.86095671 
O       3.49112177       3.63519423      -6.19502278      -0.95044791       1.51627409       0.36076288 
O       8.65425282       4.60406709      -0.81274622       0.29061784       0.43106385      -0.45727411 
O       8.69123915       3.72236086      -6.04739873      -0.33348408       1.04813211      -0.04469256 
O       3.57242687       9.85900215      -0.79375287      -1.06429309       0.61826328       0.36311471 
O       3.51051619       8.84940981      -6.08108608      -0.89096453       0.37471684       0.80899823 
O       8.88149595       9.94945148      -0.71947299      -1.05299965      -0.50021956       0.80895162 
O       8.68919486       8.99716422      -6.00192679       0.83104204      -0.50977379      -0.69400175 
O       0.93778532      -0.00084064      -1.81411141       0.07701359      -0.93826267      -0.06178315 
O       1.10676622      -1.13599659      -7.04854572      -1.07312634       1.04205531      -0.48698029 
O       6.20243527      -0.02513199      -1.79196620       0.23885921       0.62590402      -0.41115363 
O       6.01590059      -0.72821874      -7.03696935       0.59972819      -0.46350258       0.16250622 
O       0.95689972       5.06430297      -1.74115839      -1.42685193      -0.48568819      -0.95050843 
O       0.92226326       4.34492936      -7.17761166      -0.07365792      -1.08332852       0.81619417 
O       6.09639504       5.05587570      -1.85143112       0.50492845       0.49246047       0.12635801 
O       6.10422132       4.36954157      -7.06986002      -0.05866491      -0.55428202       0.35324419 
O       1.76413785      -0.50746208      -4.41684868      -0.50642974       0.40760755      -0.11158875 
O       1.61641767      -1.28806361      -9.72468323       0.59701654      -1.16558622      -0.07698757 
O       6.91963754      -0.41324191      -4.40455648      -0.58392434       1.14668777      -0.07187231 
O       6.81766397      -1.30885943      -9.72091856       0.84771111      -1.10065692       0.21016595 
O       1.44424778       5.52901541      -4.79851743      -0.33055685       1.27585221       0.60751540 
O       1.67641269       3.77094467      -9.67242623       0.14471896       0.25402427      -0.44676799 
O       7.02350101       4.76941933      -4.40487486      -0.11599227       0.29074538      -0.70811287 
O       6.91518779       3.86687989      -9.73554062      -0.45319248      -0.48912972       0.87833120 
O       4.30238281       4.21074887      -3.40354842       0.54309880       0.52534503       0.01717649 
O       4.29834244       3.37671406      -8.65712876      -0.20937349      -0.35147286      -0.15202275 
O       9.47537207       4.09694560      -3.42397006       0.89742895       0.59922200       0.69250314 
O       9.43116562       3.35836927      -8.58341612       0.51139346       0.24947244      -0.64341212 
O       4.36945434       9.32472574      -3.41440781      -0.60551387      -0.19054579      -0.62028574 
O       4.30916819       8.54061782      -8.64776339      -0.46769330      -0.57593484      -0.18992599 
O       9.49332951       9.41691493      -3.39806134       0.68255384       0.17127592       0.52078917 
O       9.37390845       8.44249182      -8.51298618      -0.00971663       0.77510342      -1.00855450 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009338569447186881 -0.0006991655947648692 0.0044417231393918495 -0.0006991655947648692 -0.019446089510682742 -0.0021776658919525787 0.0044417231393918495 -0.0021776658919525787 -0.01899641529833513" pbc="T T T" energy=-946.6626563 free_energy=-946.69438669 config_type=crystal 
Hf       2.81613714       2.17024226      -9.38011567       0.30036587      -0.29261296       0.17666942 
Hf       7.94631579       3.01587468      -4.15202235       1.54623317      -0.49329666      -0.77577161 
Hf       8.04848283       2.06543510      -9.53795290       0.20947068      -0.43883701       2.72497786 
Hf       2.88449936       8.09795484      -4.11470075       0.48346251       1.47063044      -0.25967804 
Hf       2.76390346       7.24369823      -9.50877272       0.19345873       0.56830872       1.13965919 
Hf       7.91668848       8.17951741      -4.14140941       0.43461775       1.09376374      -0.72140478 
Hf       7.96220847       7.29639835      -9.46052883       0.82573227      -0.42259326       1.02111451 
Hf       0.29183055       0.78071926      -3.75370135      -0.37355381       0.42302276      -0.48563638 
Hf       0.28019560      -0.08917183      -8.95410231      -1.15488139       0.31845200       0.48099793 
Hf       5.38427217       0.91343758      -3.68491895      -0.86984877      -0.98828221      -0.20112524 
Hf       5.34774592      -0.12552606      -8.99524308      -0.42140611       0.15135576       0.87219989 
Hf      10.31237194       5.96555034      -3.39269323       0.44050340      -0.77991060      -0.87613378 
Hf       0.18128467       4.94823317      -8.88741572      -0.26374773       1.20978366      -0.16907928 
Hf       5.44142939       5.88441181      -3.71316331      -1.01597710      -0.05491632      -0.69095037 
Hf       5.46613824       4.99094585      -8.97640860      -0.06005638       0.61079081       0.75686426 
Hf       2.32340607       1.35779823      -1.15660395       1.59160878      -1.08192472       1.00064873 
Hf       2.40207723       0.51180562      -6.31990036      -0.35240616      -1.39782673       1.13700857 
Hf       7.56540477       1.29670893      -1.05590743       0.28291601      -1.57491673      -0.65078779 
Hf       7.55132550       0.39364142      -6.37964291       0.59475524      -0.89849862       0.27714756 
Hf       2.31892235       6.37541820      -1.05583540       0.60981096      -0.01347710      -0.23395264 
Hf       2.60967024       5.28756380      -6.50111904       0.42150426      -0.53758679       0.57704402 
Hf       7.56135785       6.30183511      -1.01694732       0.53429135       1.59286327      -0.06094517 
Hf       7.63673321       5.51200594      -6.34695008      -1.15329723      -0.69476224      -0.02822233 
Hf       4.96211469       3.57508517      -1.51618860      -1.72861101      -1.56919580      -1.49622476 
Hf       4.96939351       2.44221168      -6.70901035       1.10026667       1.58152809      -1.05388828 
Hf      10.26754977       3.34614919      -1.60734124      -0.11345061      -0.67643884       0.62107620 
Hf      10.14512809       2.53380169      -6.75392135      -0.46796142      -0.51215349       0.48887863 
Hf       4.93758746       8.59156333      -1.55478266       0.40521849       0.90261279       0.35491237 
Hf       5.00154243       7.75203507      -6.82250183      -0.90477053      -0.94189018       0.37880571 
Hf      10.23658305       8.67409191      -1.52130596      -1.23259981       0.39641179       0.18723380 
Hf      10.20945825       7.72559892      -6.83789663      -1.06169487       0.75144514       0.13138086 
O       1.33647694       2.22907879      -2.63473160      -1.17032110       0.98817617      -0.64667965 
O       1.36313085       1.46912853      -7.99688453       0.23239793       0.38958812      -0.02194918 
O       6.61726894       2.31387870      -2.71164104      -0.56713354       0.94576223       0.42740853 
O       6.55051764       1.37198007      -8.01703609      -0.40894444       0.29055012       0.15566541 
O       1.29162900       7.39985768      -2.58055048      -0.48400433       0.96965072      -0.83745203 
O       1.23617101       6.54833036      -7.93891027       0.67342234      -0.19942283      -0.02748708 
O       6.43910032       7.56175157      -2.71953233       0.43322724      -0.64128541      -0.18286380 
O       6.53349875       6.57478329      -8.03960784      -0.29382719       0.27637885       0.35715681 
O       4.12437378       1.15505602      -5.30933960      -0.09526492       0.29899125       0.31598012 
O       3.82148785       0.58976170     -10.37663935       0.91532696      -0.05182194       0.40193603 
O       9.07396349       1.41911723      -5.16568257      -0.35373436       0.26198596       0.44083295 
O       9.15481650       0.50825310     -10.36042088      -0.33101552      -0.37133561      -0.82954520 
O       3.89270999       6.40291137      -5.14940225       0.12078455       1.04714643       0.12888025 
O       3.88610478       5.64044011     -10.40399096       0.15240575       0.13004411      -0.27929394 
O       9.15227473       6.60124210      -5.07060691      -0.41943180       0.43966112       0.02223295 
O       9.06809619       5.72722562     -10.40575842       0.73141146      -0.70767552       0.66784137 
O       3.90318092       1.84928977      -2.38867203       1.46192329       0.16366294      -0.02508984 
O       3.90482103       1.00644174      -7.81661731      -0.78874544       0.05511266      -0.00967629 
O       9.07668315       1.81323024      -2.53135481      -0.33716155       0.32404941       0.43436683 
O       9.02974011       0.92037602      -7.74965907       0.58697148       0.74225005      -0.44074905 
O       3.79337233       7.09278645      -2.48737290       0.34135632      -0.48524354      -0.24219056 
O       3.87119481       6.16892888      -7.87318994      -0.08859834      -0.40879815       0.23381833 
O       8.95026827       7.01387037      -2.43456084      -0.31811801       1.00259094       0.11423823 
O       8.99487869       6.18707202      -7.72734312       0.92038703      -0.09755177      -0.54228466 
O       1.25689653       2.86308105      -0.07882705       0.07052025       0.08703855       0.07305758 
O       1.12295451       1.86151721      -5.38771345       0.80298318      -0.84363132      -0.21311735 
O       6.43495345       0.97012806     -10.49447208      -0.06752540       0.46420732      -1.74427164 
O       6.55681654       2.06847042      -5.42871750      -0.33838687      -0.70379921       0.81702378 
O       1.20303781       7.98817304      -0.05642227       0.22088634      -0.30608982      -0.13115936 
O       1.36146685       7.17344999      -5.28042151      -0.57459878       0.45318913      -0.71229471 
O       6.44114274       7.95133289      -0.11600542      -0.13688399      -0.49724978      -0.14141630 
O       6.40743060       7.04958241      -5.36310627       0.65683514       0.03816519       0.10433779 
O       3.45241896       4.66450203      -0.78387676       0.42984748       0.64442967       0.24197656 
O       3.63553845       3.68992276      -6.01358874      -0.60033270       0.72357187      -0.12411359 
O       8.83229811       4.61590949      -0.77845971      -0.79917364       0.93282282      -0.19943074 
O       8.79883492       3.85457858      -5.97802357      -0.19839562       0.05885234       0.10652484 
O       3.51706426       9.85472780      -0.72771700      -0.08697030      -0.07068335      -0.25541649 
O       3.58347663       8.93328861      -5.92602069      -0.20141861      -0.42519547      -0.22879484 
O       8.69240495       9.84845396      -0.76824369      -0.06168654       0.48737912      -0.12548841 
O       8.68623966       8.92330976      -6.00711187      -0.00310339      -0.17592757      -0.11762753 
O       0.99590292      -0.03170483      -1.94120787      -0.01859966      -0.83174196       0.91369122 
O       0.92108220      -0.83254415      -7.09689419       0.48181280      -0.51946992       0.58220716 
O       6.10909468       0.00284823      -1.86424383       0.53942241       0.46160786       0.65336387 
O       6.12317592      -0.96623831      -7.12153339       0.43512695       1.07059330      -0.10711608 
O       1.00887593       5.01788497      -1.91798855       0.01560394       0.28282236       0.32359564 
O       1.06344150       4.07715938      -7.03337006      -0.39929652       0.77834777      -1.03139793 
O       6.23385823       5.10578205      -1.86883941      -0.33671934       0.00634520       0.00508996 
O       6.23814370       4.22049382      -7.17338896      -0.08832717       0.17379958       0.29156906 
O       1.70746274      -0.49605673      -4.48091096      -0.01412831      -0.17195437      -0.10515604 
O       1.54934229      -1.34723641      -9.71225684       1.21753271      -0.78980538      -1.05335699 
O       6.80424885      -0.41488173      -4.53318371      -0.01945108       0.30663501       0.36818264 
O       6.78277938      -1.37459055      -9.61714978       0.49344369       0.16068550      -1.40437902 
O       1.28246840       5.74944358      -4.89855755       0.81992652      -0.30063925      -0.54123523 
O       1.68063042       3.88318970      -9.70935773      -0.17146297      -0.43848243       0.09103793 
O       6.84177402       4.70744302      -4.49680580       0.76783963      -0.16291348       0.11088565 
O       6.90438417       3.73799786      -9.75304562      -0.40751817       0.14913316      -0.15085290 
O       4.31490062       4.28013583      -3.39368942       0.60899461      -0.11135668       1.30080680 
O       4.26371886       3.43144171      -8.56495735      -0.80311018      -1.03916780      -0.60303991 
O       9.51097982       4.15860259      -3.36815021      -0.43558066       0.12127823      -0.45597992 
O       9.43794654       3.32329758      -8.61243953      -0.05492359      -0.09435553      -0.24502035 
O       4.29908763       9.47681283      -3.40866137      -0.66433814      -1.29623916       0.43800068 
O       4.12541655       8.52353265      -8.54457005       0.11054865       0.32824517      -0.87572570 
O       9.43637822       9.41766654      -3.37284314      -0.21233797      -1.09242778      -0.10242090 
O       9.47891381       8.54181780      -8.63684520      -0.58401376      -0.94754081       0.01762073 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.023362029069747867 -0.0067510928131001725 0.0007541385602023635 -0.0067510928131001725 -0.019303220218353595 -0.0005266768026977316 0.0007541385602023635 -0.0005266768026977316 -0.011610873681773801" pbc="T T T" energy=-946.17375893 free_energy=-946.2087303 config_type=crystal 
Hf       2.83036145       2.14045217      -9.37802721       0.00582652      -0.06095163       0.18556444 
Hf       7.99403228       2.91320496      -4.24411668       0.72166601       0.60515602       1.49199680 
Hf       8.02579084       2.04523737      -9.35881859      -0.07997474       1.11522318      -0.36914825 
Hf       2.89370339       8.16346108      -4.12707012      -0.70221449      -0.01293653      -0.25284045 
Hf       2.80746800       7.26860073      -9.44209401       0.67322455      -0.55613009      -0.60188417 
Hf       7.96228962       8.20921645      -4.20615286      -0.42429057       0.81791752       0.38794751 
Hf       8.01633879       7.32242844      -9.46774788       0.52991435      -0.42357985       0.04402811 
Hf       0.25146654       0.82382463      -3.68494677      -0.02062456      -0.35413647      -0.77926532 
Hf       0.30078938      -0.05744379      -8.99372984       0.56094341      -0.22980669       0.37038309 
Hf       5.32158004       0.81994970      -3.73556222       0.28226480       1.07159809       0.32560140 
Hf       5.40757989      -0.15779256      -8.98560848      -1.02293825       2.11677824       0.81487405 
Hf      10.22371135       5.95388556      -3.50581057       0.91468520      -0.13557961      -0.11852423 
Hf       0.27775430       4.97961060      -8.93604561      -0.03613494       0.05736336      -1.00575832 
Hf       5.48408415       5.89194057      -3.71527005      -0.02762219      -0.81982335       0.31184425 
Hf       5.42390636       4.99614332      -8.91871335       0.21708072       0.44148593      -0.65474757 
Hf       2.49525189       1.18903477      -1.15304488      -1.57571451       1.69921801       0.28533372 
Hf       2.42990348       0.37970751      -6.24861042      -0.66519687       0.42157002      -0.06205644 
Hf       7.46709273       1.29971112      -1.11768437       1.11521718      -0.22092670       0.19241261 
Hf       7.56137759       0.34838948      -6.36219724      -1.01753964       0.14786834       0.78876565 
Hf       2.36269053       6.39622147      -1.11217723       0.36412169       0.02311922       0.22796102 
Hf       2.49616281       5.35100935      -6.40698381       0.80654523      -0.39761705      -0.58490739 
Hf       7.50435929       6.46148945      -1.06363996       0.27888678      -1.44996671       0.68048998 
Hf       7.57801952       5.47358128      -6.38366705       0.75623473       0.49598680       0.18003787 
Hf       4.92010247       3.46710705      -1.59812939      -0.02346499      -0.24639822       1.08041796 
Hf       4.99181805       2.53239407      -6.64425072      -1.03204657       0.34110963      -0.33538322 
Hf      10.16386252       3.43003884      -1.50136829       0.59183415      -0.31008669       0.30816499 
Hf      10.19409329       2.49249150      -6.70763079       0.79099781      -0.03289383      -0.73022019 
Hf       4.97935770       8.64462924      -1.57549633      -0.02755528      -1.30369181       0.57806551 
Hf       4.99433063       7.67950190      -6.81287353      -0.14802063       0.98772086       0.39160223 
Hf      10.20063523       8.66559090      -1.57082609       0.07034027       0.39833201       0.70712375 
Hf      10.06554176       7.78782218      -6.88442378       1.15598869       0.31517692       0.62592623 
O       1.15676723       2.23605402      -2.57479962       0.81932064       0.63071020       0.68624169 
O       1.31861842       1.43708678      -7.93194544       0.71823444       0.33196113      -0.46084470 
O       6.55268235       2.32234068      -2.71902421      -0.08852046       0.54456413      -0.22264179 
O       6.56216474       1.51172550      -7.91356490       0.23042353       0.28476970      -0.33028131 
O       1.06991922       7.58673428      -2.82599692       1.41118456      -0.48607526       0.23990000 
O       1.45565830       6.45265842      -8.15241016      -0.65247617       1.20287301       1.90697748 
O       6.48453885       7.47701326      -2.71744671       0.11498135       0.42991945      -0.49360842 
O       6.59015381       6.55060941      -8.05040643      -0.35902675       0.94285316       0.34060921 
O       4.01255135       1.26583693      -5.17859787       0.10776329       0.07232950      -0.31443946 
O       3.81177542       0.50401419     -10.35436561       0.89968083       0.31741384       0.57676970 
O       9.06622438       1.34359105      -5.08658880      -0.44665706       0.63012004      -0.17744668 
O       9.21076637       0.55373567     -10.37042888      -1.03413810      -0.00985234       0.11905665 
O       4.13667287       6.52561304      -5.07675175      -1.24869133       0.95876856      -1.14859268 
O       4.05755151       5.74749402     -10.45022062      -0.12688944      -0.27832624       0.85145043 
O       9.11179466       6.67140144      -5.19431105       1.00475702      -0.51176171       0.97654875 
O       9.31970903       5.82795738     -10.34434218      -1.17469405      -0.24684554      -0.52883677 
O       3.90686303       1.83621907      -2.40747878       0.89580310      -0.52890192      -0.52182289 
O       3.88245612       1.04117714      -7.65660131      -0.26850412       0.12061304      -1.36278437 
O       9.03838940       1.89781321      -2.51377946      -1.07141174      -0.16314954       0.33256449 
O       9.05373296       0.96658251      -7.60626423       0.54171233       0.10587689      -1.85063335 
O       3.78280332       7.08996655      -2.49283184      -0.09833816      -0.12663428      -0.48442611 
O       3.88722828       6.10446810      -7.76358988       0.55368422       0.60975598       0.05610466 
O       8.93741091       7.14542929      -2.50520804      -0.61331904      -0.71366128       0.51261545 
O       9.06581054       6.20507961      -7.75027776       0.06899664      -0.65982128      -0.47872453 
O       1.26999215       2.90119302      -0.05509972       0.15581838      -0.05089388       0.15199180 
O       1.09698168       1.76591801      -5.35307422       0.50561589       0.03745972      -0.11892415 
O       6.39447483       1.03338326     -10.49883119       0.41259605       0.00968524      -1.05050913 
O       6.48816807       1.93923208      -5.28834704      -0.01326593       0.21566684      -0.44735688 
O       1.38860443       7.98108633      -0.17549124      -0.44931643       0.08888054      -0.55310438 
O       1.47666405       6.99048565      -5.31225183      -0.28326946      -0.47155496      -0.74916559 
O       6.53493760       8.00228513      -0.10382327      -0.05128874       0.02839860      -0.12101018 
O       6.52147375       7.15383241      -5.44995734       0.18809200      -0.48823388       0.07625741 
O       3.51734760       4.67720742      -0.75754276      -0.35518105       0.30509587       0.36388149 
O       3.49521918       3.73086459      -5.97843908       0.36604515       0.13140816      -0.20074839 
O       8.56326729       4.68391087      -0.83612966       0.49038546      -0.34431353      -0.27831030 
O       8.75956636       3.76083910      -6.14462921      -0.86641462       0.17483433       0.51481043 
O       3.42995670       9.74085753      -0.93701844       0.18960209      -0.11631697       0.55723661 
O       3.39906739       8.86156640      -6.13643477       0.92840973      -1.35639422       0.71886695 
O       8.59939175       9.91113686      -0.88349707       0.46042702      -0.71075751       0.54938703 
O       8.63783034       8.92335412      -6.06515123      -0.00948501       0.16930428      -0.45654061 
O       1.02137982      -0.03765448      -1.90193956      -0.57139864      -0.46474311       0.34818856 
O       0.92919452      -0.89264376      -7.04568861      -0.31027960      -0.51947034      -0.43100120 
O       6.01149677       0.02300854      -1.74374825       0.68499729       1.06991737      -0.10200685 
O       5.92912635      -0.67939104      -7.07448531       0.45213726      -1.83894819       0.73561838 
O       0.81406642       5.23908457      -1.73159781      -0.40695939      -0.19343643      -0.48445920 
O       0.99711401       4.22573536      -7.06626398      -0.86452213      -0.39556010       0.33907651 
O       6.06683371       5.20806230      -1.72902475       0.27764328       0.25698346      -0.09838010 
O       6.04813804       4.39087419      -6.96015515      -0.42084926      -1.04957209      -0.00403185 
O       1.68867781      -0.51272687      -4.44851655       0.29425379       0.04428947       0.22984189 
O       1.73821500      -1.32761442      -9.75210824      -0.43628497       0.36935980       0.30277450 
O       6.78970742      -0.43942505      -4.47988694       0.66505081      -0.04207402       0.04838861 
O       6.94053139      -1.23592493      -9.59115453       0.79230319      -0.68143410      -0.66665173 
O       1.66826140       5.69234876      -4.49858219      -0.33303751       0.16988488      -0.43463284 
O       1.90475854       3.99317933      -9.65688011      -0.25911216      -0.93419746       0.12331971 
O       7.08690633       4.79525665      -4.44071787      -0.41929036       0.05573516       0.39148792 
O       6.92861185       3.78745061      -9.59089801       0.01676515       0.72430806      -0.28674123 
O       4.43052320       4.21080301      -3.31254899       0.03496373       1.14245081      -1.39996821 
O       4.31589861       3.38414470      -8.51587793      -0.57856679      -0.81930412      -0.47677623 
O       9.68254187       4.04378145      -3.49985548      -0.42691241       0.77684129      -0.21882296 
O       9.68594210       3.20697164      -8.85696413      -0.69105876      -0.39845284       0.86816708 
O       4.35936090       9.39750252      -3.51258072      -0.62617588      -1.31440032       0.59640678 
O       4.33125079       8.49300566      -8.69656686      -0.53870825      -1.36019787      -0.23697976 
O       9.46454590       9.40065110      -3.40561158      -0.42782140      -0.06187516      -0.39140283 
O       9.58190605       8.49896627      -8.69841811      -0.79843327      -0.14225888      -0.38707174 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016151248847383008 0.0018725639115255278 0.004634135196837844 0.0018725639115255278 -0.017669896179026805 0.001197439873415484 0.004634135196837844 0.001197439873415484 -0.012379598230622242" pbc="T T T" energy=-946.691747 free_energy=-946.72605652 config_type=crystal 
Hf       2.82724800       2.04564931      -9.43688603      -0.34876172      -0.14010289       0.66767133 
Hf       8.01489630       3.08679463      -4.15046910      -0.50241633      -1.18636681      -0.58198812 
Hf       7.94387033       2.10343497      -9.41982688       0.71235008       0.30742328       0.11346417 
Hf       2.88010135       8.22319169      -4.12578989      -0.04188536      -0.41164621      -0.42433653 
Hf       2.79836766       7.30143705      -9.50568303      -0.15704563      -0.17176464       1.38875716 
Hf       7.95761108       8.25129013      -4.28763604       0.64765280      -0.45608287       1.49405533 
Hf       8.03346262       7.21144923      -9.31368403      -0.50154258      -0.15331877      -1.13275770 
Hf       0.22145303       0.82433200      -3.78719055       0.23908297      -0.23511920       0.43441761 
Hf       0.18618027      -0.13170740      -8.87404291       1.16196835      -0.04191017      -1.25394197 
Hf       5.36285580       0.85012337      -3.77861073      -0.24710621       0.38021363       0.51590354 
Hf       5.36965386      -0.11400915      -8.96474151       0.52084483      -0.48753953       0.06798871 
Hf      10.38319760       6.01110930      -3.48303806      -1.45768757      -1.41233350       1.07154635 
Hf       0.27445538       4.94403801      -9.01317808      -0.32346642       0.76656249       0.43316392 
Hf       5.38921130       5.85266551      -3.73787707      -0.88221343       0.87278019       0.79848853 
Hf       5.38887559       5.02481729      -8.89443337       0.20003598       0.15980605      -0.04873476 
Hf       2.38073837       1.21870447      -1.16916202      -0.34340838       0.81054478       0.43013028 
Hf       2.39534110       0.43792000      -6.28419795       0.09706429      -0.36035927      -0.60260135 
Hf       7.55501385       1.27057505      -1.15351625      -0.10767464      -0.81976692       0.73456950 
Hf       7.57639167       0.42672836      -6.38025268      -0.46302052      -0.31481730       0.43129531 
Hf       2.45308880       6.35230320      -1.06971633      -1.19830517      -0.38172716      -0.11734607 
Hf       2.59099971       5.33783100      -6.52522113      -0.96931402       0.15036820      -0.49642183 
Hf       7.52825873       6.35917717      -1.04984922       0.21236103       0.47291425       0.56182468 
Hf       7.62398515       5.49997508      -6.33528844      -0.51308238       0.02181514      -0.63545139 
Hf       4.97924039       3.45892584      -1.56849086      -0.86217424      -0.34624293      -0.84481511 
Hf       4.91825715       2.56749840      -6.66939721      -0.24219741       0.02691256      -0.60658385 
Hf      10.15695194       3.31034174      -1.45517464       0.74660430       0.97266559      -0.56242231 
Hf      10.16512328       2.53855093      -6.80581945       0.52289525       0.28970732      -0.08043717 
Hf       5.01550096       8.58751815      -1.53831785       0.40230465       0.14546985       0.34986930 
Hf       4.96650438       7.74612740      -6.66986911       0.84584172       0.09777678      -2.30879334 
Hf      10.16822322       8.64386803      -1.47923190      -0.38666363      -1.03649422      -0.89390197 
Hf      10.20851575       7.72894375      -6.79573468      -0.71692102      -0.75510008      -1.17221116 
O       1.19883463       2.20069917      -2.55555446      -0.70283118       0.11957021      -0.61485194 
O       1.26828512       1.41113790      -8.03395054       0.49995426       0.57938958       0.55834020 
O       6.56160595       2.45014754      -2.76242208      -0.68087667      -0.41037147      -0.10258997 
O       6.55068804       1.50278396      -7.99802783      -0.47665426      -0.42249857       0.09022980 
O       1.25778064       7.39213515      -2.79066519       1.50843779       1.27619351       0.46385709 
O       1.30700768       6.63440163      -8.01832473      -0.06788937      -0.49881049      -0.73515676 
O       6.49028478       7.53401543      -2.65009848       0.51261614      -0.05861963      -0.66323013 
O       6.62695405       6.71185760      -7.94554675      -0.98724937      -0.86253163       0.60628538 
O       3.98027483       1.24094224      -5.20814525       0.64777015       0.29032906      -0.51336308 
O       3.88244044       0.48777685     -10.40754058       1.12434556       0.21977486      -0.04163237 
O       9.04366186       1.48303277      -5.16514252       0.37883596      -0.09772624       0.32150758 
O       9.18471281       0.51159132     -10.30493001      -0.48446005       0.06519353      -0.95177218 
O       3.96550170       6.60713967      -5.20155088      -0.00549257      -0.25261545       0.84763602 
O       3.90358915       5.57341812     -10.34262659      -0.08311756       0.80735205      -0.71396936 
O       9.16089732       6.61174773      -5.14042110       0.19743847       0.21802099       0.03814208 
O       9.00939196       5.56522903     -10.33005613       0.99383366       1.18819944      -0.07944520 
O       3.92505644       1.67502915      -2.44411375       0.86589592       0.58449849       0.03897694 
O       3.82574527       0.96988800      -7.82261629       0.18281513       0.11884719       0.38288394 
O       8.95963409       1.84670692      -2.59103909       0.64403262       0.05969651       0.54597614 
O       9.05045763       0.98124761      -7.72951454       0.17822237       0.12425629      -0.41153114 
O       3.82769688       7.08281169      -2.50993719      -0.19692970      -0.22306461       0.20560243 
O       3.84086097       6.20907739      -7.80662128       1.14917146       0.12041803      -0.38948447 
O       9.02120947       7.07587701      -2.42579296      -0.79844222      -0.02490352      -0.34788661 
O       9.06471737       6.08722224      -7.74346446       0.59224420       0.30578382       0.11505002 
O       1.33423160       2.91414438      -0.12354054      -0.66109674      -0.73804993       0.07679073 
O       1.13589635       1.79857263      -5.41743409      -0.52533276       0.23272000      -0.20894397 
O       6.52012467       2.85494604      -0.19007907      -0.70459602      -0.46378036       0.65206426 
O       6.50902275       2.01105861      -5.41748470      -0.60092922      -0.20853597       0.48068262 
O       1.22947893       7.88331114      -0.10434610       0.10724629       0.03003230      -0.36739539 
O       1.42129427       7.13467482      -5.51984546       0.62415397       1.93345941       0.27940788 
O       6.43414914       6.10797588     -10.45501950      -0.42936305       0.59074139      -1.36192922 
O       6.52897492       7.10771779      -5.41049100      -0.37727344       0.12232963       0.58726706 
O       3.53408699       4.69721231      -0.72064286       0.60089544      -0.45231263      -0.71715987 
O       3.48467989       3.78680461      -5.94829736       0.99272189      -1.06573857      -0.08350540 
O       8.58432603       4.61685426      -0.81805238       0.03355430      -0.24965225      -0.21219879 
O       8.74818379       3.80286567      -6.10374876      -0.57081864       0.40207305       0.51012010 
O       3.46424104       9.79296984      -0.81607102       0.62528491      -1.12448196      -0.60591912 
O       3.54002348       8.94952096      -6.10168445      -0.95472351       0.07665109       0.97932972 
O       8.77959853       9.89951223      -0.89916877      -0.91186195      -0.25609554       1.01228346 
O       8.72140561       8.95598399      -6.12196433      -0.59967014       0.28117262       0.27213476 
O       0.95473044      -0.14585278      -1.83133164       0.73524301       0.92789523      -0.59393046 
O       1.01350522      -0.95353148      -7.12579590      -0.39235848      -0.00801179       0.55490318 
O       6.04678803       0.09313544      -1.80886101       0.19297462      -0.33340746       0.18262159 
O       5.99752868      -0.75903876      -6.99298912       0.29298472      -0.19413730      -0.27293824 
O       0.73522434       5.10432053      -1.74605029       1.14078006       0.70345821      -0.01930366 
O       1.05561542       4.16577197      -7.20640322      -0.63779550      -0.18048365       0.39426259 
O       6.06912862       5.20478064      -1.85267365      -0.12779381      -0.41989749       0.67650872 
O       5.99873208       4.34127712      -7.02374691       0.66598500       0.38448196       0.58252269 
O       1.74904189      -0.43351977      -4.48452537      -0.23360895      -0.20741785       0.61878779 
O       1.72745595      -1.27446417      -9.74961445      -0.69285048       0.01527093       0.21032511 
O       6.93720784      -0.36871322      -4.40385599      -0.22487181       0.73599905      -0.65189815 
O       6.95969067      -1.33965640      -9.64836340      -0.54208312       0.92646592      -0.42757148 
O       1.40690267       5.83648315      -4.94160197      -0.04755369      -1.73609250       0.75362056 
O       1.83610675       3.79983761      -9.65218467      -0.86997680       0.70775568      -0.47503108 
O       6.85312189       4.79149707      -4.42821546       1.61835990      -0.84828006      -0.86027573 
O       6.87041435       3.81684319      -9.55413042       0.00734017      -0.16558182      -1.01933127 
O       4.34183060       4.20984176      -3.35714392      -0.04351097       0.34038300       0.09182638 
O       4.29519937       3.28162674      -8.59794400       0.08804704       0.50048926       0.03669230 
O       9.47837933       4.18933181      -3.45218944       0.78829727       0.25906620       0.47659214 
O       9.42712234       3.36824665      -8.76717121       0.54463783      -0.87515042       0.76236160 
O       4.47195834       9.26895477      -3.50536629      -0.42697034       0.32314208       0.24585576 
O       4.35066879       8.43831052      -8.75717823       0.03028863       0.07538643       0.47821718 
O       9.56260181       9.32156633      -3.53621449      -0.08894849      -0.08182726       0.30234403 
O       9.46118942       8.45723560      -8.64653892       0.58678328       0.05676417       0.28703740 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016894725667938048 -0.004020832576363107 0.0020143680840808338 -0.004020832576363107 -0.018808462025212448 -0.0038417533436024037 0.0020143680840808338 -0.0038417533436024037 -0.02190872243066" pbc="T T T" energy=-946.8348901 free_energy=-946.86966438 config_type=crystal 
Hf       2.89190130       2.16627286      -9.45978109      -1.04883976      -0.83147526       0.16334897 
Hf       7.94268438       2.98128474      -4.18595824       0.43277625      -0.55296603       0.06535943 
Hf       8.06496921       2.10798454      -9.46546064      -0.66860559      -0.23331725       0.70753471 
Hf       2.83712616       8.11930598      -4.13675576       0.31847500      -0.12985752       0.06545648 
Hf       2.86163271       7.31968170      -9.45668793      -0.83152352      -0.90704293       1.10142041 
Hf       8.00012827       8.24720452      -4.12737265      -0.59661529       0.44202043      -0.62631098 
Hf       8.07729626       7.26278152      -9.37599660      -0.80265536      -0.38405937      -0.72818292 
Hf       0.35085481       0.83364532      -3.68480627      -0.69542298      -0.08144765      -0.95405520 
Hf       0.25728438      -0.12458850      -8.90239050       0.47213287       0.74868188      -0.47700414 
Hf       5.26930158       0.89081952      -3.64729399       0.26551474      -1.66972028      -1.75330914 
Hf       5.47301952      -0.10614976      -8.93993671      -0.03222850       0.45883836      -1.46392456 
Hf      10.26467031       5.90407641      -3.54976287       1.04709470       0.11946501       0.70567428 
Hf       0.24103676       4.98296332      -8.96376002       0.76921038       0.38700129       0.13080886 
Hf       5.38739799       5.86818516      -3.68912496       0.14759242       1.44821885      -0.68731487 
Hf       5.47102012       5.00650559      -8.94314852      -1.19679276       0.73853924      -0.45775778 
Hf       2.48436182       1.28253369      -1.10818995      -0.85251549      -0.08913380       0.44444184 
Hf       2.33572003       0.41475076      -6.30446072       0.79941760      -0.17107697      -0.36804689 
Hf       7.55181426       1.20657228      -1.10354701      -0.24528943       0.20276607       0.06993963 
Hf       7.50962374       0.35697419      -6.30954311       1.55741673       0.10302470      -0.10360061 
Hf       2.30894465       6.39929099      -1.13556277       0.34937986       0.04657325      -0.13943855 
Hf       2.54972831       5.37725601      -6.56927413      -0.10476195      -0.17541592       0.44184134 
Hf       7.55746772       6.36927838      -1.04674200      -0.72741079       0.14373252      -0.66118739 
Hf       7.50106047       5.52765423      -6.32958736       0.27686690      -0.55309591      -0.08206567 
Hf       4.95067051       3.43180085      -1.62088773      -0.05168831       0.95559600       0.12672447 
Hf       4.96130123       2.51534837      -6.75373014      -1.10770845      -0.39744215      -0.21423491 
Hf      10.20749885       3.34656302      -1.41853610      -0.52346023       0.59137886      -1.71067031 
Hf      10.17027614       2.52986028      -6.76412803      -0.70500579       0.54080832      -0.04305088 
Hf       4.98259760       8.55260195      -1.52512240      -0.02928297       0.50373178       0.38778470 
Hf       4.93732958       7.80380818      -6.73944357       0.32323862      -0.74858985      -0.64873600 
Hf      10.27740600       8.71892562      -1.54942422      -0.25110853      -0.60794108       0.14874961 
Hf      10.09631885       7.69508264      -6.86361981       0.57649759       0.23518551       0.75397097 
O       1.21348868       2.25342024      -2.49519784       0.07395991       0.24178916      -0.45455630 
O       1.24873755       1.48117765      -7.93856407       1.26929644      -0.22781828      -0.70809005 
O       6.44423905       2.39112320      -2.80992147       0.23661731       0.16154926      -0.09057090 
O       6.58680636       1.48297233      -8.03173145      -0.03711228      -0.05204318      -0.06833107 
O       1.27038968       7.61330922      -2.79183831      -0.07598079      -1.09918433       0.10463974 
O       1.26738470       6.56944955      -8.04926606       0.81574484       0.17428709      -0.10026702 
O       6.53838614       7.54823637      -2.79856436      -0.31082374      -0.42248152       1.16982870 
O       6.52569938       6.57203261      -8.03111265       0.67357946       0.17904071       0.65306140 
O       4.03617836       1.15395979      -5.31356861       0.27237750       0.42157401       0.56710681 
O       4.01619792       0.58102615     -10.43069048      -0.84572306       0.42758439       0.26357480 
O       8.97839127       1.35859453      -5.00047602       0.64701481       0.24512086      -0.33285237 
O       9.10814881       0.51434678     -10.37309519       0.42972377       0.10097532       0.51512016 
O       3.96448085       6.51105579      -5.19369519       0.00505282       0.48642903       0.00534954 
O       3.90518126       5.70674952     -10.29919680       0.86911147      -0.71464219      -0.78659941 
O       9.14932586       6.61814073      -5.10443801      -0.52586557       0.01578809      -0.52190693 
O       9.30421523       5.76330689     -10.29492558      -1.58141991      -0.13282952      -1.05087928 
O       3.99313937       1.77190792      -2.40660440      -1.02864560       0.19517442       0.23431126 
O       3.81197304       1.00493683      -7.81633537       0.38628844      -0.00444976      -0.57801160 
O       8.91575712       1.99473977      -2.42208699       0.75628935      -0.57474969      -0.49732309 
O       9.15427662       0.95038583      -7.73727373      -1.18446691      -0.02679682       0.22344747 
O       3.83294647       7.05762116      -2.46068189      -0.15354044      -0.48906672      -0.32995313 
O       3.93208724       6.22058118      -7.83521353      -0.22854970      -0.02480212       0.53019586 
O       9.00597958       7.13043126      -2.51898082      -0.12933754      -0.12182205       1.08238069 
O       9.06017411       6.12167324      -7.69357754      -0.56020289      -0.00882246      -0.39306383 
O       1.19381934       2.85549923      -0.05143638       1.47788657      -0.30968426       0.97267082 
O       1.05855183       1.76558238      -5.43351185       0.51643567      -0.25751649       1.15894375 
O       6.49079526       2.79384999      -0.19139763      -0.00946100       0.03030730       0.43105566 
O       6.49017122       1.92348198      -5.48328053      -0.68565040       0.57727807       1.29053107 
O       1.35758119       7.97820719      -0.15847451      -0.53345785      -0.06914270      -0.11793160 
O       1.38740009       7.02014933      -5.45010435       0.08438572      -0.41989906       0.15153257 
O       6.45302113       7.93124165      -0.08921927       0.62300034      -0.30613208      -0.17715342 
O       6.46125669       7.22444737      -5.40353342       0.23379936      -1.14084983      -0.13059083 
O       3.51744122       4.78310665      -0.82665477       0.42727069      -1.18360070       0.29355454 
O       3.36368241       3.63676671      -6.20476375       0.67993260       0.15754155      -0.13233027 
O       8.66243289       4.69895526      -0.84834919       0.44703698      -0.07866632       0.44928526 
O       8.62001108       3.68490729      -6.07536368      -0.17441624       1.06270318       0.05103045 
O       3.49224330       9.74631657      -0.72378978       0.77127347       0.93115782      -1.68098827 
O       3.42845592       8.87426830      -6.06009215       0.47041339      -0.04378526       0.09373196 
O       8.67939567       9.79302776      -0.81355939       0.62952691      -0.19756111      -0.05880648 
O       8.57139552       8.84619445      -6.10195011       0.55333515       0.40740398       0.09108882 
O       1.16938354      -0.08617290      -1.91085456      -0.70259932      -0.07953787      -0.19828185 
O       1.06510426      -1.05353467      -7.11806474      -0.95923982       0.38793007      -0.46272853 
O       6.04580854       0.04531599      -1.74066076      -0.24028474      -0.41197686      -0.55026511 
O       6.06609954      -0.79490224      -7.09798594      -0.39279923      -0.62335876       0.21565268 
O       0.87203211       5.12289100      -1.90694845       0.19379792       0.28960564       0.46212542 
O       0.87479011       4.29624623      -7.02567208      -0.12003808      -0.57963399      -0.40223541 
O       6.11149764       5.14652932      -1.85919672       0.80043896       0.70096740       0.42153188 
O       6.08171054       4.21064205      -7.02007958       0.08217925       1.02233303      -0.71454038 
O       1.69789816      -0.54795061      -4.55035553      -0.76815051       1.10730150       0.78268610 
O       1.70055350      -1.30431170      -9.79418482      -0.38778997       0.34577019       0.32032313 
O       6.79777299      -0.40421188      -4.40381976       0.33436452       0.22630943      -0.26948172 
O       6.99393875      -1.35414162      -9.71943483      -1.02887908       0.74245749       0.86256240 
O       1.51453740       5.63496576      -4.78017942      -0.25153504       0.72854004       0.21295680 
O       1.68867043       3.79494135      -9.77179883      -0.37861413       0.27674111       0.34670331 
O       6.81245583       4.70865951      -4.52554947       0.46438475       0.34987132       0.08029556 
O       6.76962548       3.73044846      -9.74179645       1.23827622      -0.02174450      -0.37876449 
O       4.27242572       4.35450424      -3.40998255      -0.55506497      -1.50810706       0.66927821 
O       4.25144542       3.37084224      -8.70923266       0.56298011       0.17660943       0.65995603 
O       9.48915718       4.13451101      -3.48526712      -0.07123657       0.02392492       0.02435851 
O       9.48359453       3.35921410      -8.67720042      -0.57513580      -0.70013352      -0.23277239 
O       4.28029325       9.31151769      -3.36862715       0.05903427       0.64951946      -0.16263660 
O       4.31725236       8.55009579      -8.74927696       0.21196192      -0.18182783       0.87567915 
O       9.51256735       9.47425131      -3.44737713       0.03386944      -0.38419258       0.58914273 
O       9.46057816       8.52861712      -8.67275268       0.22826812      -0.60577543       0.49362788 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010307856834007298 -0.0046886015452211 0.0020624155396488483 -0.0046886015452211 -0.015016876839699796 -0.0033359090318839336 0.0020624155396488483 -0.0033359090318839336 -0.015402348305193795" pbc="T T T" energy=-946.52486005 free_energy=-946.55843672 config_type=crystal 
Hf       2.83770168       2.15759654      -9.39268245      -0.04441004      -0.18302075      -0.24321245 
Hf       8.02422149       2.91427699      -4.13760893      -0.68776642       1.17211068      -0.26248926 
Hf       8.05056920       2.07963322      -9.46252846      -0.44694341       0.38241059       0.67947839 
Hf       2.75191566       8.19903091      -4.10708373       1.83456540      -0.69434979      -0.13829403 
Hf       2.81131334       7.31955250      -9.41682319       0.66761842      -0.40859094      -1.01938503 
Hf       7.97000452       8.23356065      -4.16709006       0.48179150      -1.26862000       0.28117328 
Hf       8.01844563       7.25099688      -9.43548462       0.81430107      -0.14707554      -0.01491369 
Hf       0.29016717       0.85729200      -3.69630599       0.75348870      -0.31434684      -0.81907551 
Hf       0.27646996      -0.05590352      -8.94364321      -0.51180249      -0.29147950       0.07891349 
Hf       5.35996366       0.73968600      -3.67106027      -0.93125773       0.96724076      -0.32081393 
Hf       5.46725135      -0.16336830      -8.99691551      -0.57620511       0.72686198       0.58660019 
Hf      10.33401337       5.93476330      -3.48436134      -1.01532301      -0.21053232       0.17089834 
Hf       0.17485339       5.00195967      -8.95787853       1.18295933      -0.05687169      -0.82363672 
Hf       5.28401465       5.92074341      -3.65535129       1.44716434       0.21632722      -1.14709305 
Hf       5.43036788       5.09104035      -8.93838451       0.42491814      -0.34555366      -0.38399986 
Hf       2.37451531       1.30213541      -1.12067430       0.85178577      -0.35058757       0.24735606 
Hf       2.38245599       0.40356090      -6.31684427       0.46373863       0.36347945       0.34317982 
Hf       7.61728465       1.24891649      -1.12048267       0.01905420      -0.66577962       0.83578611 
Hf       7.52948500       0.29717268      -6.31350760       0.16426258       1.23760697      -0.82440508 
Hf       2.37353675       6.37922283      -1.14952025       0.02483768      -0.10848808       1.26896435 
Hf       2.48201351       5.39648920      -6.53035529       0.92130136      -0.33524615      -0.24566411 
Hf       7.52919760       6.34944498      -1.11573966       0.38422405      -0.61221368       0.97665457 
Hf       7.57566487       5.52046974      -6.33480489       0.46520416      -0.39206508       1.49936520 
Hf       4.89344876       3.44418478      -1.64501220       0.23716617      -0.40545534       0.35277844 
Hf       4.98944553       2.59727672      -6.76971560      -0.04323479      -0.46575495       0.88753536 
Hf      10.21532711       3.44566480      -1.53296444      -0.12420089      -1.73215545       1.16606035 
Hf      10.14910861       2.47629703      -6.76687320       0.60264492       1.22685590      -0.04315675 
Hf       5.10051082       8.53348987      -1.45576288      -1.92037655       1.59087363      -1.50715157 
Hf       4.90040008       7.71601950      -6.71484458       0.84021607       0.24782427       0.03953041 
Hf      10.26801816       8.64890780      -1.59608514      -0.95029064      -0.09550621       1.82364858 
Hf      10.07864818       7.70309138      -6.88011140       0.64816451       1.32452166       0.20388919 
O       1.21302538       2.30444507      -2.60032087       0.54243037      -0.17365181      -0.09843894 
O       1.34456298       1.50087309      -7.91748845       0.45290061      -0.25517504      -1.34258867 
O       6.60350315       2.34524059      -2.64855846      -0.30721100      -0.02147111      -0.77112892 
O       6.55649309       1.46379154      -7.92713975       0.09085227      -0.12903398      -0.64955043 
O       1.26622286       7.46195760      -2.81557121       0.02101875       0.01533705       0.98804670 
O       1.36842544       6.58797510      -8.04928938      -0.21176990       0.27966393       0.19096957 
O       6.54135080       7.47638158      -2.75679450      -0.27683647       0.08588578       1.25677444 
O       6.54539221       6.72251485      -7.96077501       0.27874256      -0.61363240       0.28417760 
O       3.95478899       1.33935552      -5.24595292       0.99576095      -0.30144414      -0.01479903 
O       3.95605225       0.43960421     -10.39787836      -0.25091558       1.21684107       0.25242458 
O       9.16840639       1.46527509      -5.18952582      -0.79155163      -0.43292483       0.92859225 
O       9.22760811       0.53154044     -10.40005502      -0.65294555       0.27456906       0.06362282 
O       3.88639862       6.60681928      -5.11534381      -0.08172682       0.14366181      -0.60928948 
O       4.03188966       5.71730699     -10.46761757      -0.92355769      -0.40523720       0.72630902 
O       9.21531514       6.62655379      -5.11818989      -0.69432876       0.37010627      -0.29870221 
O       9.08199571       5.58407644     -10.34319100      -0.15531873       0.49298206      -0.41426255 
O       3.97823064       1.73507394      -2.43726642      -0.10936455      -0.10092821       0.01146797 
O       3.90641843       1.07689236      -7.79554725      -0.44884768      -0.31945888      -0.14680651 
O       9.11133426       1.77455482      -2.48418314      -0.48381870       0.14663533      -0.78841392 
O       9.04908413       0.95224159      -7.77391164      -0.15174410      -0.01459780       0.04075394 
O       3.82768691       6.99448826      -2.48336641       0.33481798       0.19286748       0.00019351 
O       3.92636250       6.16826383      -7.89630709      -0.45500052       0.03334830       1.13973158 
O       9.00323197       7.03447344      -2.48510656      -0.40240649       0.19773638       0.52090356 
O       9.15432556       6.09102414      -7.75347803      -1.24149072       0.22530311      -0.03891966 
O       1.28178752       2.88190523      -0.06867005       0.76481790      -0.30533968       0.48031328 
O       1.21022966       1.82993536      -5.45777230      -0.47986772      -0.16275465       1.12215401 
O       6.52341029       2.74727233      -0.07979290      -0.12342488       0.33206268      -0.03385924 
O       6.47976700       2.00909090      -5.30372189       0.03264529      -0.67432188      -0.16781704 
O       1.26447345       7.92884311      -0.10728700       0.13564450       0.14533141      -0.81957991 
O       1.32718636       7.16671899      -5.53364386       0.93648268      -1.15675024       0.93151764 
O       6.43344042       7.97739804      -0.04354677       1.40238813      -0.35213792      -0.19910508 
O       6.39754974       7.01624937      -5.24624652       0.49180395       0.23279294      -1.21691354 
O       3.51808115       4.71380579      -0.76879792       0.16491524      -0.69932765      -0.02938764 
O       3.79653639       4.01579532      -6.00863698      -0.48182583      -0.27254076      -0.50751678 
O       8.73725465       4.68997165      -0.77892720      -0.61430271       0.15980671       0.04560037 
O       8.82643113       3.92323022      -5.99389531      -0.05616386      -0.95734885       0.18204368 
O       3.64583170       9.88859019      -0.74267551      -0.34918005      -0.39088282       0.03517770 
O       3.50271858       8.93564263      -5.94150128      -0.13424958       0.14663423      -0.63066499 
O       8.87431792       9.86290524      -0.64693684      -0.29895934      -0.34224056      -1.26475426 
O       8.69594637       8.93758128      -6.01183777      -0.36840315      -0.33284450      -0.43744931 
O       1.05374652      -0.07170294      -1.85782472       0.05196677       0.09368471      -0.41067230 
O       0.80697431      -0.80461314      -7.00338722       0.26643794      -1.00698623      -0.44325592 
O       6.28027905      -0.06308756      -1.90065450      -0.47254520      -0.37781838       0.26906941 
O       6.05995191      -0.87151840      -7.04485791       0.24412385      -0.12513122       0.09080818 
O       0.89359592       5.08916873      -1.81360108       1.00350274       1.40271523      -0.34480173 
O       1.02619499       4.21224590      -7.16751682      -0.23335713      -0.40930506       0.67111410 
O       6.09894409       5.06309911      -1.82930303       0.60478853       1.15736437       0.44769418 
O       6.26121348       4.28589751      -7.12353922      -0.66894734      -0.33709597      -0.20086386 
O       1.71813045      -0.47499421      -4.46778040      -1.04963336       1.22478946       0.32240116 
O       1.65938248      -1.34845213      -9.69225942       0.00831021       0.68997311      -0.41388121 
O       6.94207954      -0.37284914      -4.42477840      -0.23660648       0.21422859      -0.30091161 
O       6.86564666      -1.41266089      -9.75882116      -0.32413646       0.47795954       0.01278629 
O       1.45508278       5.74246090      -4.78374059       0.24427036       0.79359273      -1.19072850 
O       1.79533170       3.90672031      -9.72888577      -0.40331041      -0.46111640       0.26271501 
O       6.98795404       4.70332055      -4.32150568      -0.37367923       0.36207639      -0.91055234 
O       6.88250419       3.84349053      -9.72682451       0.16225051      -0.54270037      -0.04504779 
O       4.30829727       4.29240478      -3.39449545      -0.60355029      -1.15628703       0.43234902 
O       4.27132403       3.40804695      -8.64298993       0.37854326       0.26995585       0.25283464 
O       9.45474130       4.18041900      -3.28873166      -0.19022405      -0.26206991      -0.96582423 
O       9.57353313       3.26169640      -8.66615895      -0.68606400      -0.21142437      -0.32362739 
O       4.32434114       9.25551238      -3.40320537       0.51280036       0.73339316       0.29793912 
O       4.22333438       8.54142797      -8.53309879      -0.21142905      -0.06665403      -0.47291075 
O       9.56625307       9.23660188      -3.40573275      -0.06549222       1.52298375      -0.56410051 
O       9.46785542       8.53063557      -8.72691806      -0.02248977      -0.61596114       1.29757911 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01176476695221541 0.0004327908677470074 0.0029932391521263176 0.0004327908677470074 -0.01499192774889354 -0.003061029674463217 0.0029932391521263176 -0.003061029674463217 -0.013348456051818579" pbc="T T T" energy=-946.45811157 free_energy=-946.48877751 config_type=crystal 
Hf       2.78966485       2.03025869      -9.38995461       1.07304827       0.85463433      -0.65979154 
Hf       8.03864260       3.01746957      -4.15032682      -0.97562113      -0.73202672      -0.55925322 
Hf       7.94265830       2.14298108      -9.42276831       1.61822772      -0.43574657      -0.38341770 
Hf       2.92048126       8.17442020      -4.09039904      -0.40869830      -0.05090359      -0.32793799 
Hf       2.78450721       7.22789143      -9.39331994       0.72602545       0.40879317      -1.28543119 
Hf       8.03105145       8.24972117      -4.14863266      -0.64480626       0.07983555      -0.10352799 
Hf       7.89589833       7.30853717      -9.35871222       1.98063092      -0.89526692       0.29148544 
Hf       0.27988639       0.82586286      -3.75026314       0.58509549       0.68596802       0.25600493 
Hf       0.22672330      -0.06103176      -8.97296021      -0.26083683      -0.72446419      -0.25160802 
Hf       5.34389257       0.89678117      -3.82404036       0.67403142      -0.20724683       0.77365328 
Hf       5.40888896       0.00129807      -8.90301172      -0.35577826      -1.39126312      -0.33932494 
Hf      10.36870594       5.94112734      -3.41459913       0.40710894       0.22870171      -0.42500200 
Hf       0.30660119       4.96808589      -9.00383413      -0.92468791       0.54414952      -0.54163752 
Hf       5.38137702       5.88893840      -3.70799787       0.75391505       0.97723927       0.00413856 
Hf       5.47268548       5.06324435      -8.96811839      -1.21704163      -0.35656616       0.19022955 
Hf       2.35678573       1.20202211      -1.17892000       0.82034615       0.41170585       0.33086822 
Hf       2.35596562       0.36712190      -6.27361861       0.87879327       0.35788984       0.20348992 
Hf       7.58480251       1.24861591      -1.03205567      -0.03677852      -0.01313386      -0.75776400 
Hf       7.58319430       0.34840438      -6.34680979       0.02346802       0.36025178       0.44792249 
Hf       2.40904247       6.26632501      -1.17192440       0.77899622       2.00324309       1.48896085 
Hf       2.48587922       5.32203317      -6.53577695       1.87583128      -0.38898108       0.75730867 
Hf       7.51835751       6.33850500      -1.09089801       0.19536043       0.65240806       0.03798213 
Hf       7.59585685       5.49736265      -6.31388142      -0.35622534       0.46690941      -0.10088972 
Hf       4.91234674       3.38920402      -1.62084625      -0.24465546       0.49509029       0.05074583 
Hf       4.94638119       2.55397457      -6.75026621       0.64612960       0.19803403       0.14436764 
Hf      10.17872199       3.36239288      -1.49377763       0.30366235       0.29137301      -0.82702117 
Hf      10.14063491       2.52358585      -6.81805063       0.84782284       0.23645385       0.64332780 
Hf       5.04080206       8.68644771      -1.55463818      -0.23388858      -0.35375375       0.92441033 
Hf       4.96739992       7.71427513      -6.80672155       0.39196638      -0.17525410       1.09918074 
Hf      10.15059630       8.63138092      -1.47996621       1.08365653       0.12604319       0.39245140 
Hf      10.18236795       7.72919744      -6.83063884      -1.33764934      -0.11237244      -0.40442103 
O       1.29532524       2.30780748      -2.66647561      -0.66698363      -0.57546768       0.64335026 
O       1.38303845       1.46965730      -7.97878498      -0.64091881      -0.57692007       0.02705324 
O       6.44115853       2.50812894      -2.86137319       0.60530704      -0.09001124       0.59486196 
O       6.57649556       1.58151240      -7.98178573      -0.66642529      -0.93536746       0.03779637 
O       1.30886234       7.54509966      -2.67757137      -0.09282047      -0.96420955      -0.92742222 
O       1.33518179       6.56751282      -8.03406573      -0.09715631       0.17243987       0.01816783 
O       6.50180565       7.64600772      -2.68290850       0.81659386      -1.19495740      -0.43408886 
O       6.57746216       6.70595248      -7.86569694      -0.49806680      -0.59762623      -1.05253205 
O       4.00322980       1.35971470      -5.22176325      -0.37066126      -0.80369008      -0.80833099 
O       3.92531038       0.45239344     -10.43712135      -0.02072226       0.74562219       0.72999165 
O       9.17313626       1.41683853      -5.18884969      -0.31178415       0.46920019       0.64870661 
O       9.14032048       0.65443280     -10.42706263      -0.23843569      -1.10047206       0.97254609 
O       3.96275939       6.50091137      -5.14452798       0.01166385       0.97083120      -0.16344416 
O       3.88779892       5.67485550     -10.33099940       0.89361824      -0.28825394      -0.11720750 
O       9.22081483       6.77537614      -5.02501683       0.46037270      -1.15286659      -0.69012438 
O       9.14903732       5.76982360     -10.26585807       0.04671577      -0.46345837      -0.98488764 
O       4.02065983       1.72969219      -2.46529416      -0.75372463       0.26611871       0.44737119 
O       3.87402762       0.96496371      -7.75890042      -0.03022387       0.10219331      -0.26143831 
O       9.02674812       1.93306832      -2.48764980      -0.65443510      -0.79382081      -0.31028392 
O       9.01941683       0.96820718      -7.76004121       0.70676955       0.23013705      -0.48303605 
O       3.84138215       7.13736052      -2.47661422       0.35982325      -0.55921090      -0.26088416 
O       3.85138384       6.13152806      -7.79909687       0.81817817       0.01621172      -0.22008013 
O       9.03157368       7.10951673      -2.50230285      -0.88124655      -0.38152130       1.28788575 
O       9.06473202       6.15947450      -7.70820811       0.14776060       0.01397887       0.30049909 
O       1.19333515       2.88169268      -0.08652304       1.27345351      -0.91137270       0.64824243 
O       1.27987986       1.84602449      -5.44672757      -1.62821599      -0.17260754       0.00041650 
O       6.48940338       2.76257961      -0.05889768      -0.67094302       0.55161185      -0.18734166 
O       6.47003036       1.94591615      -5.36812450       0.38186935       0.22597491      -0.34478484 
O       1.35550853       7.89556619      -0.15743097      -0.84564185      -0.29584059       0.42325864 
O       1.36995011       7.03247334      -5.45164615       0.99919980       1.26794751      -0.24769326 
O       6.44512617       6.25353155     -10.49552288       0.08095145      -0.64461006      -0.63564044 
O       6.48096594       7.08995177      -5.37097677       0.18330386       0.04844342       0.49527490 
O       3.51669800       4.66202952      -0.74545606       0.47346847      -0.84269577       0.26666470 
O       3.63286960       3.75746595      -6.00580172      -1.00599263       1.43198902      -0.31255528 
O       8.60180137       4.64257668      -0.93088747       0.21438557       0.42255079      -0.06406601 
O       8.64649408       3.76246166      -6.06610395       0.82653029      -0.39998026      -0.39311654 
O       3.60782837       9.81504542      -0.77646607      -1.14303260       0.72157477       0.43825005 
O       3.55092114       8.92518633      -6.04184550      -0.54780538       0.02878834       1.19379638 
O       8.73160337       9.89422757      -0.81465618      -0.58513726      -0.05529848       0.59378072 
O       8.74836063       8.98563632      -6.05619129       0.23070669      -0.41057941      -0.10914289 
O       1.00118898      -0.09630055      -1.82358462      -0.36919690       0.30033756      -0.35454636 
O       0.97227393      -0.94461301      -7.11950878      -0.09163821       0.26787807      -0.14482603 
O       6.17820916       0.10323061      -1.87121790       0.00630520      -0.08285401       0.30225050 
O       6.14418790      -0.86340872      -7.03323471      -0.60627490       0.36431289      -0.68585952 
O       0.94696941       5.07476920      -1.74921916      -1.15196048       0.13749579      -1.14056514 
O       0.95698129       4.25353077      -7.09076332      -1.16186115      -1.04982234      -0.27922709 
O       6.05022649       5.21245702      -1.78586200       0.06303456      -0.04722770      -0.20366165 
O       6.13937761       4.33294370      -7.14997034       0.16038629      -0.10928321       0.63767168 
O       1.68734993      -0.47348007      -4.36472241       0.63041445      -0.27279595      -0.97728167 
O       1.61027233      -1.35606391      -9.79164745       0.15888777       0.42114795       0.15590867 
O       6.97302662      -0.36068725      -4.45645783      -0.62316011       0.40839434       0.06662218 
O       6.85921029      -1.32831030      -9.58937311      -0.49263673       1.18547419      -0.89930356 
O       1.52608403       5.74528885      -4.79678987      -1.00167604      -0.79919847       1.43225346 
O       1.76507682       3.75596095      -9.67794292       0.01241628       0.54666631      -0.16353358 
O       7.03801282       4.80619766      -4.40350327      -0.85910774       0.07652356       0.30562601 
O       6.93016239       3.80874543      -9.75642251      -0.63500434       1.07308712       0.36691388 
O       4.11338261       4.49113121      -3.18961927       0.07127921      -1.12159884      -0.23856047 
O       4.36843848       3.29875975      -8.67143003      -0.56094665      -0.09769476      -0.19461193 
O       9.53594863       4.15388950      -3.48177788       0.97608695       0.66213859       0.41393134 
O       9.65161287       3.21064171      -8.84113261      -0.78268470       0.02093230       0.81489706 
O       4.35494191       9.39339586      -3.36022868      -0.37125991       0.09407641      -1.12679218 
O       4.23381881       8.47378076      -8.57380641       0.31546360       0.77411419      -0.82304288 
O       9.53731527       9.39184493      -3.36360052      -0.35451150       0.11613580      -0.24256029 
O       9.42871694       8.53091102      -8.76186590       0.75833355       0.08682596       1.13717992 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016333007241694487 0.0036613669827930124 0.0031347797894418013 0.0036613669827930124 -0.013479329232264378 -0.004194721382617743 0.0031347797894418013 -0.004194721382617743 -0.01742612143850851" pbc="T T T" energy=-946.32701084 free_energy=-946.36363946 config_type=crystal 
Hf       2.85350573       2.10458153      -9.46378485      -0.43523018       0.23493276       1.24087813 
Hf       7.91694793       2.99686875      -4.22378996       0.64714654      -0.51392322       1.89575842 
Hf       7.99797519       2.09544825      -9.39147026       1.57438606       0.27161237       0.22848807 
Hf       2.93680576       8.08785776      -4.14509175      -1.59830096      -0.08734317      -0.93407322 
Hf       2.86864325       7.26144092      -9.46836164       0.05516423      -0.33663252       0.92648646 
Hf       7.96466432       8.27299588      -4.13113742      -0.54945894      -0.05033852      -0.08547016 
Hf       8.03433862       7.22866063      -9.40442221       0.23732050       0.44968468       0.63514527 
Hf       0.30520203       0.84258221      -3.73677462       0.10459777       0.34728501       0.35132033 
Hf       0.27643359      -0.12424087      -8.91420713       0.44045865      -0.24119402       0.18146069 
Hf       5.20835938       0.90643156      -3.76409976       1.20476196      -0.14661911       0.48054538 
Hf       5.42220495      -0.00240652      -8.99268524       0.40650099      -1.62137960       1.70304809 
Hf      10.25164815       5.90911041      -3.50973044       0.75142120      -0.71933688       0.94168432 
Hf       0.27753309       5.00820641      -8.98823394      -0.79799096       0.01404721       0.25541480 
Hf       5.46045724       5.88698146      -3.75433411      -0.94795581       0.43882535       0.52599846 
Hf       5.46716864       5.00125969      -9.00102953      -0.79755249       0.57051208       1.21668982 
Hf       2.46605599       1.28255984      -1.07374792      -0.47365674      -0.11252731      -1.18531232 
Hf       2.36989163       0.41595715      -6.29306758      -0.32333524      -0.48799143       0.06000507 
Hf       7.47594131       1.17352330      -1.08146911       1.32805917       0.75522012      -0.32713313 
Hf       7.59389651       0.43924794      -6.30969610      -0.39768319      -0.61149481       0.47530889 
Hf       2.31816770       6.38385008      -1.11064908       0.01739490      -0.89925419      -0.79090837 
Hf       2.57954212       5.30938805      -6.55056996       0.65883101       1.08951264       0.10715755 
Hf       7.58329904       6.40807260      -1.01318003      -0.27886032      -0.81820535      -0.23878459 
Hf       7.48381612       5.49035079      -6.34405380       0.72187031      -0.11145549      -0.81413226 
Hf       5.00033872       3.48545070      -1.56572081      -1.02775376      -0.18179329      -0.78601746 
Hf       4.88591061       2.42928049      -6.74448752       1.08734535       1.43370067       0.01647324 
Hf      10.22021387       3.28704967      -1.43865617      -0.21417200      -0.03856582      -1.09662818 
Hf      10.12706924       2.60937678      -6.73599055       1.34182733      -0.30234368      -0.82828330 
Hf       4.89624178       8.60983796      -1.58038414       1.35625195      -0.26653584      -0.47076038 
Hf       5.03330504       7.80076152      -6.80451653      -0.72138195      -0.73899665       0.34247497 
Hf      10.20901230       8.69280687      -1.49484081       0.05899025       0.05299779      -0.57855291 
Hf      10.14666492       7.70421973      -6.77785051      -0.17787754       0.66200852      -0.01146688 
O       1.31924152       2.33757527      -2.55808458      -0.48405368      -0.80306867      -0.60847913 
O       1.45300670       1.42448952      -7.96577507      -0.70734764       0.06786006      -0.51970101 
O       6.52723995       2.38424750      -2.70211344      -0.04233998       0.25243153       0.24213041 
O       6.48619641       1.53505398      -7.91036779       0.91479382      -0.02075085      -0.63312450 
O       1.30054907       7.44787625      -2.66965046      -0.70063082       0.25988817      -0.76195029 
O       1.49739310       6.47905082      -8.05059848      -0.39324155       0.69133202      -0.08463617 
O       6.45151402       7.55046737      -2.70111084       0.24158818      -0.24727523      -0.10094631 
O       6.58138450       6.67387401      -7.93126238       0.37628795      -0.17817538      -0.62211973 
O       3.96982323       1.20730186      -5.34179134       0.49641078       0.03957315       1.01755833 
O       3.97003218       0.51710761     -10.31552122      -0.44784214       0.11159832      -1.29590589 
O       9.04691765       1.57755694      -5.18746477       0.48173428      -1.44633162       0.76788892 
O       9.25044826       0.52002025     -10.30385580      -0.91217890       0.10471542      -0.12019916 
O       4.02074451       6.50155594      -5.23290206      -0.09980900       0.19819477       0.07481020 
O       3.93651215       7.42271060      -0.07245824       0.60849744       0.11346889       1.09442343 
O       9.04557159       6.68169767      -5.11445420       1.16577979      -0.42759500       0.00578368 
O       9.11733383       5.64929887     -10.37550067       0.71920414       0.54026700      -0.22471250 
O       3.96556757       1.84478443      -2.49413182      -0.50167799      -0.06171610       1.28356297 
O       3.95054113       0.93738227      -7.79169648      -0.88781251      -0.13661193      -0.69060926 
O       9.00643239       1.74905105      -2.49958950       0.18815092       0.73322681       0.19060120 
O       9.03273843       0.99221013      -7.74115853       0.32171376       0.06535867      -0.28863630 
O       3.81837990       6.96925744      -2.63613249       0.41992916       0.31782988       0.94781037 
O       4.05649855       6.13272583      -7.86908632      -1.11784041      -0.29489173      -0.04743292 
O       8.93213108       7.01992191      -2.42641428       0.66249576       0.65252939      -0.54856806 
O       9.09369819       6.11193396      -7.80400348      -0.20653477      -0.05210782       0.95228882 
O       1.36858243       2.71851722      -0.06886777      -0.42482449       0.70912964       0.67389943 
O       1.18174685       1.86497545      -5.39783464      -0.68940630      -0.66795706       0.28596271 
O       6.42746776       2.87570601      -0.02482317       0.74494879      -0.21168794      -0.40400335 
O       6.34827886       1.99841034      -5.21750295       0.34308208      -0.09912211      -1.33591646 
O       1.28658462       7.93771714      -0.17368377      -0.22452708       0.12096716       0.79494899 
O       1.47549036       6.96611827      -5.42494464      -0.69515529       0.49950372      -0.15829075 
O       6.58064326       8.04422412      -0.09349500      -1.50567829      -0.54254974      -0.23037008 
O       6.44121049       7.04658164      -5.33765653       0.52379055       0.57023719      -0.14872485 
O       3.47875223       4.71929180      -0.75395345       0.65736070      -0.80054922      -0.54428745 
O       3.40291201       3.60593506      -6.30415988      -0.14190829       0.09810400       0.47540117 
O       8.80771083       4.63423315      -0.75684541      -1.63159694       0.60768168       0.25344443 
O       8.65010637       3.74405373      -6.07971764      -0.81773166       1.52988944      -0.16009100 
O       3.47403098       9.79417352      -0.77753965       0.45693373       0.25742445      -0.56855572 
O       3.42671908       8.87058630      -6.03349669       0.86350784      -0.37744224      -0.29309399 
O       8.74880035       9.89565574      -0.78227552      -0.17166416      -0.73638135       0.63309596 
O       8.79703906       9.08778480      -5.90505784       0.35153891      -1.03321919      -1.14381387 
O       0.96162585       0.06504195      -1.81687559      -0.21278328      -0.85695002      -0.29496293 
O       0.91743053      -0.88020773      -7.04623790      -0.38869526      -0.96134845      -0.00289104 
O       6.07552187       0.05192721      -1.85045824      -0.66009007      -0.93395513       0.23828340 
O       6.11155843      -0.79612590      -6.97021314      -0.12576925      -0.03634629      -0.82879716 
O       0.80439794       5.05618455      -1.79138920       0.62661447       1.00191451      -0.40178615 
O       0.94370363       4.29515325      -7.12258912      -0.80809380      -0.76569892       0.50633512 
O       6.11396711       5.12867362      -1.82524791       1.29601684       1.26192669       0.75610862 
O       5.97818829       4.34954908      -7.03168125       0.39524505      -0.37844534      -0.21536588 
O       1.68942654      -0.56497485      -4.46219892      -0.89730198       0.95687807       0.37275604 
O       1.66069353      -1.42535287      -9.72427686       0.07128831       0.57240564       0.15263347 
O       6.89053505      -0.39375299      -4.49616107      -0.97156297       0.76067666       0.62512112 
O       7.00743875      -1.26042215      -9.59358721      -0.51393828       0.24328628      -0.40581443 
O       1.54985308       5.66244950      -4.69816985      -0.09294954      -0.46038099      -0.22232337 
O       1.64734023       3.75130950      -9.73796741       0.30841945       0.30868910      -0.28755586 
O       6.94983704       4.73880637      -4.47416591      -0.07634028       0.24995656       0.13171032 
O       7.06552102       3.92466461      -9.57534601      -0.31520685      -0.57737666      -0.52405673 
O       4.37673513       4.26518381      -3.32496740      -0.08216579       0.01006865      -0.48886143 
O       4.30635554       3.34256227      -8.70681039       0.22428296      -0.16769918      -0.43569127 
O       9.53229675       4.07702794      -3.46524555      -0.02848871       0.38928091       0.13631127 
O       9.53643074       3.31591069      -8.64926351      -0.31110420      -0.36815817      -0.13438442 
O       4.19406845       9.43730074      -3.40715222       0.59473816      -0.43600153       0.48896326 
O       4.32479997       8.44764128      -8.65401418       0.37967269       1.04814410      -0.61569295 
O       9.41872054       9.42513519      -3.35593562       0.96295082      -0.16599617       0.34095068 
O       9.61306748       8.35839654      -8.60184948      -0.49110604       0.75440491      -0.50358018 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00970146516820276 0.0030431334952107174 0.004551625442118048 0.0030431334952107174 -0.01555001549552008 -0.0008240602957623685 0.004551625442118048 -0.0008240602957623685 -0.01980135299575082" pbc="T T T" energy=-946.81105023 free_energy=-946.83882793 config_type=crystal 
Hf       2.75566375       2.05991860      -9.38503635       0.12210351       0.62437897      -1.25465739 
Hf       7.94590641       2.94963338      -4.13216805       0.93393893       0.97443466       0.35189869 
Hf       8.08285912       2.09156222      -9.43108099      -0.95247684       0.75859808       0.42246171 
Hf       2.89468081       8.15284684      -4.17821459      -0.76479245       0.55085604       1.27739973 
Hf       2.85117924       7.30570212      -9.42486843      -0.34925234       0.03478418       0.40944049 
Hf       7.89374858       8.18549414      -4.15385218       1.80058112       0.52441639       0.29380656 
Hf       7.98412098       7.21842827      -9.38733020       0.05772885       0.71812706      -0.14420213 
Hf       0.25683209       0.78575632      -3.72762315       1.12358551       0.08851717       0.40264602 
Hf       0.18645114      -0.18151664      -8.90650915       0.63270612       0.68739756      -0.58078359 
Hf       5.29685332       0.80308304      -3.77817538      -0.72267282       0.64231012       0.26667589 
Hf       5.43491675       0.01217908      -9.01282652      -0.07039684      -1.29987954      -0.18860106 
Hf       0.02260804       5.96773644      -3.46406497      -1.08175560      -0.76270818       0.48051110 
Hf       0.25222223       5.06255839      -8.95470767       0.17722863      -0.87965956      -0.10033290 
Hf       5.38267882       5.98389650      -3.73954677       0.13540467      -0.67120287       1.32274437 
Hf       5.42840848       5.03581216      -9.01629581       0.15203568      -1.27277369       0.79110573 
Hf       2.45080709       1.31023576      -1.08216950      -0.93669233      -0.38898592      -0.99021760 
Hf       2.41833212       0.41499450      -6.41837957      -0.54036499      -0.43118552       1.63806372 
Hf       7.51533331       1.23256612      -1.11167131       0.92834313      -0.38428252       0.14952492 
Hf       7.57959895       0.35696869      -6.20552400      -0.15614958       0.00042717      -1.65049217 
Hf       2.40391517       6.36554761      -1.07987302       0.40285739      -0.27973981      -0.53023413 
Hf       2.53731222       5.27965237      -6.54964759       1.36659972       0.56658611       0.47294286 
Hf       7.59048413       6.42960124      -1.13280405      -1.15745153      -1.48289466       1.22315279 
Hf       7.51649432       5.47544329      -6.30026469       1.20999017      -0.80643462      -0.57685699 
Hf       4.95950527       3.40313890      -1.63371672      -0.64020905       0.47964025       0.00415751 
Hf       5.03521000       2.51493889      -6.73343272      -0.95548400       0.52289649      -0.80433166 
Hf      10.18066051       3.39009950      -1.53520674       0.79057185      -0.67280389       0.27389293 
Hf      10.16007994       2.49649776      -6.74389834      -0.34781794       0.71665698       0.05625144 
Hf       5.01356380       8.68044835      -1.49617155       0.05984912      -1.10429509      -0.41517367 
Hf       4.95885816       7.80655102      -6.82434510       0.77911599      -0.64995714      -0.30794372 
Hf      10.16826001       8.68117424      -1.50482036       1.34256287       0.03460405      -0.13744072 
Hf      10.09642608       7.71764633      -6.76404171       0.00537206       0.06464635       0.12192095 
O       1.22725946       2.28716497      -2.55254846      -0.02833847      -0.79923521      -0.32985184 
O       1.26058976       1.49819244      -8.05641402       0.28251971      -0.64201056       0.96535572 
O       6.50413879       2.35572931      -2.72119563      -0.16842065       0.28014331      -0.56139955 
O       6.47413317       1.49605242      -8.03356191       0.60712287       0.33330164       0.36757229 
O       1.34083162       7.50937245      -2.69872469      -0.19316308      -0.56589451      -0.49459922 
O       1.31680541       6.58657767      -7.98093267       0.44675947       0.13440684      -0.56929965 
O       6.59057285       7.54537723      -2.70213864      -0.77502382      -0.28316407      -0.07430311 
O       6.55500988       6.49534871      -8.02188222       0.30916896       1.27806137       0.19514527 
O       3.99447587       1.25983840      -5.34111720       0.71980413      -0.25334238      -0.16335736 
O       3.89901992       0.52907233     -10.45290993       1.21114441       0.05754500       0.47132902 
O       9.07752331       1.44948913      -5.03424223       0.07367436      -0.47280673      -0.66672970 
O       9.15287632       0.53773617     -10.29572699      -0.13523608      -0.25299251      -0.77927150 
O       4.02350469       6.65920604      -5.09073496      -0.43673631      -0.57652937      -1.06188619 
O       3.99651860       5.56909225     -10.35682653      -0.78680639       0.86239643      -0.75140320 
O       9.10732257       6.65001458      -5.02635104       0.36897570       0.00588201      -0.74823370 
O       9.17446944       5.74208723     -10.35403653      -0.11354846      -0.87542928       0.17600838 
O       3.95367515       1.68518863      -2.51967585      -0.02921803       0.75502205       0.93043513 
O       3.85348528       1.01279216      -7.93327524      -0.16991572      -0.30144755       1.24658251 
O       9.01324292       1.86024412      -2.52001460      -0.40542534      -0.43152567       0.92815011 
O       8.98073012       0.98210319      -7.70384817       0.37703261      -0.16305075       0.25875180 
O       3.87322123       7.05674336      -2.49141531       0.14207039      -0.00839445       0.28233494 
O       3.90904489       6.20182634      -7.81311190      -0.12639407       0.15117058      -0.10742420 
O       9.04145267       7.07607721      -2.48467016      -0.42018145      -0.12700139       0.73113107 
O       9.14185918       6.04577232      -7.65315512      -0.75729183       0.26826735      -0.21735336 
O       1.28461129       2.76453892      -0.04221498      -0.54015659       0.34536028      -0.31496762 
O       1.15304595       1.75423754      -5.42815319       0.02442745      -0.06399340      -0.38716779 
O       6.50862989       2.82830545      -0.16962624      -0.51953621      -0.14670392       0.18625435 
O       6.50615170       1.99810222      -5.33115625      -0.61327589      -0.28210931      -0.21176102 
O       1.36764668       7.96254517      -0.12330606      -0.54750895      -0.25301319       0.52018434 
O       1.30770019       7.04734396      -5.43087085       0.87081384       0.39322025       0.32776984 
O       6.51241123       7.97016576      -0.08482887       0.01252201      -0.08964131      -0.55823769 
O       6.53746109       7.13581405      -5.41165131      -0.77303469       0.20529656      -0.02812180 
O       3.42535754       4.52295505      -0.84214387       0.09723260       1.08168263       0.46754303 
O       3.76820953       3.88785557      -5.96068490      -0.20504352       0.04018000       0.10458760 
O       8.69435022       4.66122790      -0.81124569      -0.06884464       0.60714978      -0.22686748 
O       8.64184057       3.73990439      -6.02649049       0.35689088       0.05619952      -0.19722941 
O       3.59682494       9.80234541      -0.72456515      -0.45696836       0.36804712       0.20212047 
O       3.54676336       8.86166369      -6.02980374      -1.20594948       1.38924454      -0.00477219 
O       8.76406733       9.81635654      -0.69782572      -0.82155362       0.99171826      -0.20091032 
O       8.73818116       9.02247407      -5.93015162      -0.00533501      -0.54885484      -0.48748980 
O       1.08575331      -0.08770965      -1.80553338      -0.58353353       0.22404497      -0.38582263 
O       0.88373688      -0.87273623      -7.04605078      -0.07265368      -0.56712252      -0.11868405 
O       6.14779333       0.02761721      -1.91343392      -0.09200047      -0.45188384       0.62638409 
O       6.10599297      -0.84296130      -7.14537308       0.75691664       0.46493805       0.62168004 
O       0.96711307       5.09855259      -1.90495586      -0.31062599      -0.14513383       0.36416226 
O       1.04684508       4.19583792      -7.09530577      -1.11687528      -1.09653857      -0.55026435 
O       6.02697935       5.23819223      -1.80053489       0.51588289      -0.13024799       0.03304254 
O       6.15342799       4.26253076      -7.18016257       0.13570975      -0.50354888       1.02184354 
O       1.69628652      -0.49221677      -4.50478205       0.16795550      -0.11358448      -0.00513757 
O       1.72426987      -1.26351566      -9.65905510       0.08534427      -0.88770088      -0.08945905 
O       6.90649423      -0.31793517      -4.35998034       0.19672014      -0.72707989      -0.73583646 
O       6.85685356      -1.32372955      -9.76481079      -0.01763268      -0.33637431       0.36006551 
O       1.40393427       5.66928735      -4.86696759       0.74972621      -0.26182816      -0.45826300 
O       1.67979317       3.74998233      -9.77227619      -0.55145424       1.11379158       0.30455957 
O       6.99643741       4.84581837      -4.37366471      -0.72507837      -0.47996379      -0.02177944 
O       6.74966084       3.70601695      -9.78279336       0.90765564       0.45334523      -0.22229915 
O       4.17567472       4.39833040      -3.26545386       0.66946895      -0.04354011      -0.65119669 
O       4.15349383       3.39230249      -8.50333908      -0.01441044       0.32162009      -0.51436543 
O       9.56404316       4.02125945      -3.45756406       0.68492903       2.13875017       0.11656245 
O       9.57392703       3.24079443      -8.67254110      -0.21916324       0.95268816      -0.16814287 
O       4.35947342       9.28257410      -3.38275831       0.04475661       0.61544691      -0.53971383 
O       4.22594982       8.61538034      -8.62134896       0.17266567      -0.62743841      -0.26455621 
O       9.48657800       9.34386212      -3.33128549      -0.08152343       0.46577648      -0.42654161 
O       9.46480909       8.39809692      -8.61355795      -0.14308111       0.21386307       0.26237651 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0076583014947960975 -0.0007710302309761429 0.00022920043597730172 -0.0007710302309761429 -0.017979941827896632 -0.0029955034093579504 0.00022920043597730172 -0.0029955034093579504 -0.02217592489413512" pbc="T T T" energy=-946.98043105 free_energy=-947.0093412 config_type=crystal 
Hf       2.78663930       2.09511480      -9.41715186      -0.46138412       0.23025206       0.77416022 
Hf       8.02400589       3.02173915      -4.12262544      -0.20474166       0.14652970      -0.17917907 
Hf       7.98464226       2.11393129      -9.44644692      -0.14678844      -0.16663325       0.60844413 
Hf       2.89580130       8.14048071      -4.06104938      -0.02378777       0.95627800      -0.99351582 
Hf       2.78493643       7.25698215      -9.44088938       0.36903063       0.37123233       0.21809835 
Hf       8.01777016       8.28174148      -4.15364469      -0.76539748       0.04221810      -0.85172214 
Hf       7.98648165       7.26443248      -9.37463636       0.01549688      -0.12130273      -0.42060692 
Hf       0.29112671       0.86632646      -3.77483199      -0.46968721      -0.34877870       0.57153161 
Hf       0.21708641      -0.11240296      -8.94979413       0.34062418      -0.23075373      -0.27612027 
Hf       5.37365724       0.95553212      -3.76276314      -0.50973181      -1.27588760       0.35158136 
Hf       5.35068107      -0.12420315      -8.98010470       0.11673525      -0.21985547       0.06270241 
Hf       0.00681354       5.97867272      -3.40393316      -0.69777831      -0.54193084      -0.59335847 
Hf       0.10850180       5.05368458      -9.00373238       2.17827321      -0.27409369       0.62757576 
Hf       5.40174220       5.84789097      -3.70713881       0.12465453       0.81257019       0.31533956 
Hf       5.41217572       5.06187768      -8.96676549       0.41425993      -0.91136919      -0.03466302 
Hf       2.31337778       1.27989502      -1.17977790       2.11484306      -1.21094867       0.63103031 
Hf       2.34982828       0.35481899      -6.24696771       0.29918259       0.56258931      -0.22724003 
Hf       7.60050204       1.24728987      -1.10012823      -0.79482339      -0.66323177       0.25656688 
Hf       7.55500242       0.43258786      -6.42837161       0.09047542      -0.27589116       1.20737257 
Hf       2.37973560       6.39066055      -1.07942286      -0.14714834      -0.92644471       0.49654880 
Hf       2.63720732       5.37005663      -6.53661637      -1.42596847      -0.44368359       0.13805133 
Hf       7.55212098       6.26353199      -1.02220223      -0.22595402       0.84712246      -0.17393342 
Hf       7.61126774       5.43364591      -6.36593282      -0.31147739       0.64967806       0.68957950 
Hf       4.90152337       3.46007843      -1.56885712      -0.20192555       0.12211881       0.37519565 
Hf       4.87667041       2.55299299      -6.81255967       0.98193273      -0.54964898       0.59279317 
Hf      10.26511106       3.32101102      -1.50589698      -0.91438596       1.10862723       0.05941797 
Hf      10.18473569       2.60431224      -6.79546639       0.48993792       0.16989544      -0.39137556 
Hf       5.02026200       8.52924654      -1.53953938       0.55058341       1.18266425       0.70364435 
Hf       5.06373583       7.69476951      -6.73552527      -0.61594261       0.98727691      -0.28696402 
Hf      10.18324967       8.63221721      -1.48258001      -0.47724458       0.64120609      -0.14627066 
Hf      10.16953583       7.70548395      -6.81167258      -0.44399127       0.21964801      -0.41004687 
O       1.27154882       2.29352471      -2.63241129      -0.16696711       0.05156833      -0.18717354 
O       1.22848832       1.48031535      -8.05203486       0.62142176       0.11564533       0.17643087 
O       6.60040248       2.31668893      -2.69626346       0.09458324       0.79639236      -0.58325345 
O       6.48010749       1.47657273      -7.93884748      -0.08992370      -0.25418665      -0.84996659 
O       1.33614456       7.44913476      -2.79151951      -0.05676659       0.59378134       0.92732184 
O       1.39972350       6.57135286      -7.99216021      -0.34756794      -0.01549443      -0.67596525 
O       6.56521502       7.43235602      -2.72695940       0.23941308       0.23475687      -0.12434094 
O       6.55897856       6.58495853      -7.95155802       0.09006767       0.12447493      -0.24019666 
O       4.05222565       1.24139872      -5.30172741      -0.11140418      -0.10486522       0.19502198 
O       3.91556885       0.53089545     -10.39841011      -0.16853697      -0.07020159       0.37248537 
O       9.05771909       1.50535411      -5.07149809      -0.25989238      -0.01901142      -0.57453356 
O       9.04302888       0.49030636     -10.31571128       0.98710376      -0.06047177      -0.56940677 
O       3.96533764       6.49597759      -5.20444642       0.54470036       0.60250758       0.52484868 
O       3.95019794       5.65822478     -10.33163311      -0.64717821      -0.32450021      -0.85824549 
O       9.20150207       6.65973646      -5.05787043      -0.19638505       0.75637762       0.02524008 
O       9.06383544       5.69479696     -10.30879549       0.06391768       0.23555163      -0.54296221 
O       3.97850775       1.85731526      -2.41598016      -0.09362798      -0.94566003      -0.19568139 
O       3.77778357       0.97393579      -7.79949841       0.21164760       0.22734956      -0.29179614 
O       9.12783800       1.82838599      -2.48810490      -0.58804045       0.33221270       0.09304286 
O       9.04764934       1.09394042      -7.81012070      -0.30104760      -0.46431365       0.47050686 
O       3.83728162       7.06130056      -2.49913944       0.27514951      -0.66212722       0.31677248 
O       3.99247782       6.15113082      -7.80660521       0.02450158       0.39117799      -0.00831814 
O       9.07906450       6.98282056      -2.29644812      -0.13620765       1.14478288      -0.74657007 
O       9.11529203       6.09304108      -7.74655993      -0.56700938       0.74859724       0.50401593 
O       1.28923778       2.76523157      -0.09790609      -0.64219677       0.01751110       0.24022349 
O       1.08625516       1.83589070      -5.42829663       0.85191833      -0.61623498      -0.06993380 
O       6.43219161       2.70186038      -0.09363676       0.04011901       0.40328692       0.06835005 
O       6.47444603       2.01901787      -5.34790006       0.07336250       0.64700741      -0.21086686 
O       1.26873160       7.97742717      -0.13085850      -0.31461733      -0.49863557      -0.30136880 
O       1.44867426       7.20778443      -5.58478475       0.57017196       0.07279791       1.26320607 
O       6.44875488       7.84003075      -0.06827995       0.30323267       0.50469853      -0.01448864 
O       6.57991105       7.20026088      -5.41766069      -0.33744105      -0.70991251       0.06245291 
O       3.39211857       4.58987314      -0.71182605       0.84097508       1.06276223      -1.07747744 
O       3.50350077       3.70551301      -6.09872171      -0.35312457       0.52219413       0.45532949 
O       8.77863525       4.67432685      -0.69037871       0.20922923      -0.42275293      -0.22352506 
O       8.96236039       3.97366040      -5.96362297      -1.30816377      -0.48880319       0.75535811 
O       3.57719518       9.75934360      -0.74202552      -0.27164504       0.56495390      -0.59019415 
O       3.47947290       8.92280430      -5.92691985       1.00762277      -0.52024327      -0.31842103 
O       8.68580420       9.82645071      -0.76030914       0.53980671      -0.46486273      -0.12592402 
O       8.77755030       8.98932400      -6.11468323      -0.61225273       0.21603995       0.53637735 
O       0.99341434      -0.11204081      -1.85871265       0.23221894       0.74057568      -0.08736280 
O       0.90785888      -0.85981744      -7.11009763      -0.06521444      -0.59976603       0.05911867 
O       6.23557875      -0.07730614      -1.85683850      -0.20268612       0.22500907      -0.10262202 
O       6.21435564      -0.91997516      -7.11143813      -0.92978304      -0.09406072      -0.51999772 
O       0.97968232       5.07323238      -1.85245839       0.20721021       0.03708688       0.01635022 
O       1.01177015       4.22794810      -7.17038894      -0.04478308      -0.21152064       0.07133481 
O       6.20937703       5.05786604      -1.80466908      -0.66208957      -0.08803160      -0.90557445 
O       6.14344801       4.23790480      -7.09018967       0.16882353       0.05830221      -0.26459194 
O       1.63552865      -0.49482295      -4.41707780       0.89466635      -0.06844338      -0.27069163 
O       1.67754399      -1.35829774      -9.76029386      -0.61173184       0.61998088      -0.16628956 
O       6.81456298      -0.30220391      -4.58036683       0.89645954      -1.26152141       0.55960308 
O       6.79381990      -1.43826551      -9.68137304      -0.17382962       0.64668577      -0.34443351 
O       1.35977749       5.86819980      -4.93127328       0.56654108      -0.31286912      -0.58699976 
O       1.58464280       3.79020313      -9.77188619       0.01351690       0.29547937      -0.12142902 
O       6.84937909       4.79142389      -4.49183462       1.29161820      -1.21527561      -0.53153092 
O       6.68373909       3.65156964      -9.80838570       0.36446634       0.26639602       0.72525728 
O       4.24798016       4.36870340      -3.27851596      -0.07735185      -0.59671582       0.11776811 
O       4.14620192       3.45189935      -8.65709400       0.18153333      -0.70389183       0.37119583 
O       9.39928705       4.28741103      -3.24088281      -0.32663867      -1.14573188      -0.34588897 
O       9.37465790       3.45469106      -8.69127918      -0.47641126      -0.87364675       0.63475101 
O       4.39657758       9.34823720      -3.30726425      -0.96540586       0.25860202      -1.38395361 
O       4.11017866       8.54575812      -8.59391828       1.17513522       0.07131026       0.51799795 
O       9.53747237       9.39162043      -3.42402666      -0.65040534      -0.59074847       0.27371026 
O       9.53312995       8.41473112      -8.75290522      -0.03966563       0.01286109       0.84484174 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017057464305248713 -0.0009797623180996052 0.006941788574125223 -0.0009797623180996052 -0.024026039570331 -0.0007169901090095848 0.006941788574125223 -0.0007169901090095848 -0.02318078953209002" pbc="T T T" energy=-946.27184574 free_energy=-946.30750392 config_type=crystal 
Hf       2.85233890       2.23260039      -9.38446238      -1.12372999      -0.39115737      -0.66384211 
Hf       7.94931058       2.91853654      -4.14023408       0.69064291       1.50282580       0.41678678 
Hf       8.08901308       2.08609964      -9.41038507      -0.50927149      -0.82658094      -0.52117675 
Hf       2.85002633       8.09957213      -4.15333293       0.41623394      -0.05175882       0.78236896 
Hf       2.80956102       7.27500547      -9.43284509       0.41992095      -0.82941726       0.20936711 
Hf       7.93451906       8.23723902      -4.15068741      -0.00894546      -1.56798817       0.46046986 
Hf       7.95937846       7.27934671      -9.41121651       0.26563161       0.16819681      -0.34865703 
Hf       0.34106517       0.80232209      -3.73714371      -0.26282333       0.42694868       0.30357299 
Hf       0.31386037      -0.07052911      -8.94588393      -0.78935680       0.01594075      -0.66967324 
Hf       5.32194235       0.84435853      -3.74262439      -0.20693274      -0.23234694      -0.08152532 
Hf       5.34991219       0.03267135      -8.97260676       1.28463323      -2.08429776      -0.21545867 
Hf      10.26628548       5.94031769      -3.50946992       0.63131445       0.06626034       0.49757871 
Hf       0.18467014       5.04991080      -8.98273993       1.32318155       0.09861454       0.94479026 
Hf       5.41424786       5.88874750      -3.75668236       0.02314959       0.63538664       0.84552450 
Hf       5.49301970       4.97442381      -8.95511047       0.29927109       1.98655140      -0.64573621 
Hf       2.43457880       1.26900352      -1.12337180      -0.18871322       0.28045843      -0.44417541 
Hf       2.38865817       0.34634149      -6.26656726       0.86192433       0.61587909      -0.20854283 
Hf       7.56321169       1.25323315      -1.16087663      -0.42599359      -0.26528348       1.50724979 
Hf       7.56660339       0.35437625      -6.27114992      -0.39018665      -0.04984111      -1.34725525 
Hf       2.38376756       6.40296732      -1.10033131      -0.39583090       0.71794304      -0.68836741 
Hf       2.56632452       5.31693336      -6.44350884       0.67278222       0.26546234      -1.30950139 
Hf       7.57421490       6.25533790      -1.05038076      -0.45818477       0.78688264      -1.70917432 
Hf       7.59658376       5.44541129      -6.31905559       0.19138762       1.15551394      -0.53595720 
Hf       4.90132887       3.47535429      -1.53077749       0.08208061      -0.29187858      -0.19368286 
Hf       4.98972368       2.46452892      -6.79183624      -0.29048281       1.01395528       0.62005698 
Hf      10.24048565       3.32569905      -1.51307077       0.69125795       0.41442196      -0.38086199 
Hf      10.10752063       2.52112530      -6.74786651       1.35784956       0.71335147       0.51082805 
Hf       4.94810930       8.70139125      -1.50293519       0.58173762      -2.70573513      -0.59649794 
Hf       4.97107019       7.71840516      -6.78916499       0.21610170      -0.04793696      -0.96196521 
Hf      10.20352529       8.65878967      -1.55420965      -0.11213728      -0.03044046       0.47840943 
Hf      10.05223189       7.82617491      -6.88879538       0.62478335      -0.65455206       1.17973829 
O       1.34637245       2.28229139      -2.67804253      -0.78023995      -0.21978726       0.54464370 
O       1.36351020       1.47377683      -8.06469646      -0.21021184       0.44452072       0.70115516 
O       6.54831178       2.38523260      -2.77493342      -0.56720382      -0.43721237       0.53100283 
O       6.62218470       1.43360164      -7.98657516      -0.62596119       0.35187450       0.14287397 
O       1.29535112       7.42240985      -2.73422244      -0.52646773       0.84930506       0.11781674 
O       1.45938000       6.45412466      -8.07272595      -0.54185323       1.13758679       0.36008573 
O       6.48087305       7.47485851      -2.71764706       0.08981103      -0.30391980      -0.34845637 
O       6.56756728       6.61646890      -7.99309402      -0.12036504       0.02722248       0.08106008 
O       4.08539428       1.17925333      -5.28695613      -0.49162066       0.04986045      -0.58421549 
O       3.93571210       0.58319590     -10.38476439      -0.51481415       0.32029323       0.05392483 
O       9.06227098       1.47525374      -5.10999597       0.33551746      -1.01049310      -0.01047495 
O       9.10842747       0.44393699     -10.38066664       0.97107707       0.79548550       0.05601755 
O       4.04503494       6.62451473      -5.20301152      -1.25603375      -0.74982612       0.22417675 
O       3.97458812       5.68309449     -10.44496183       0.03860853       0.24503975       0.49954289 
O       9.02873786       6.61351912      -5.13298332       1.17751752       0.22755387       0.10159516 
O       9.23213318       5.66834412     -10.33880396      -1.35557975       0.26783269      -1.13779326 
O       4.07911750       1.79777157      -2.41884252      -0.90495529      -0.38530645       0.49028292 
O       3.79650324       1.03554419      -7.84269331       0.66099256       0.03873716       0.30712055 
O       9.02474258       1.84790803      -2.51659383       0.54298143      -0.00831865      -0.28591850 
O       9.09567411       1.00474066      -7.76475481      -0.14776623      -0.63660611       0.61431809 
O       3.82981182       7.11714621      -2.53158520       0.07156624      -0.56367837      -0.01869476 
O       3.96461541       6.04150064      -7.86131189      -0.21578512       0.78154623       0.60787078 
O       8.96661023       7.07350282      -2.53760917      -0.13126640       0.58843658       1.17206334 
O       9.08221962       6.26970934      -7.77230064      -0.28982436      -1.37157441      -0.03078665 
O       1.40729252       2.84643903      -0.10338183      -1.09141370      -0.08704575      -0.06362866 
O       1.18877890       1.72877436      -5.44944607      -0.99781430       0.27491183       0.19085958 
O       6.42642551       2.85270198      -0.09905853       0.40963516      -0.40002343      -0.21247988 
O       6.41463679       1.98481211      -5.38455287       1.01629250      -0.18651293       0.63089279 
O       1.27620752       8.00653056      -0.11814156       0.09169255       0.09852412      -0.68780420 
O       1.35223601       7.17531683      -5.46820137       0.08997361      -0.09204989      -0.06219227 
O       6.58031669       7.86435268      -0.08627554      -0.62583921       0.57915670      -0.10874768 
O       6.38887322       7.11825388      -5.41828978       1.26412007      -0.07459019       0.34392955 
O       3.52691945       4.78797444      -0.71675408       0.45650490      -0.74826052      -0.05238795 
O       3.65819397       3.75429507      -6.08100323      -0.08754238      -0.03298712      -0.11483159 
O       8.77249355       4.58917591      -0.83453441      -0.36033272       0.39769481       0.95414590 
O       8.67096031       3.71641220      -5.89797100       0.63635182       0.84200202      -1.54846418 
O       3.56160371       9.84285613      -0.70767874      -0.75301439       0.95807159      -0.64948125 
O       3.43362728       8.88189418      -6.07060135       0.21844835      -0.35314077       0.07939767 
O       8.72768291       9.88546599      -0.70957378       0.44671728      -0.72238963      -0.98729469 
O       8.67251761       8.96081494      -5.98146062       0.23990669       0.14070673      -0.79475777 
O       1.00506477      -0.05040702      -1.82414525      -0.24653981       0.18860385      -0.31441415 
O       0.95822605      -0.88898526      -7.09837792      -0.27641255      -0.30797707      -0.06835761 
O       6.13372259      -0.07460140      -1.81301316       1.15354451       1.68854609      -0.33573848 
O       6.01591597      -0.84614018      -7.04089100       0.59691055       0.85854272      -0.05454393 
O       0.91622130       5.11771721      -1.79905410      -0.45307034      -0.31876241      -0.64538166 
O       0.95459339       4.34524384      -7.01163805      -1.27356309      -2.00213939       0.01308216 
O       6.11052688       5.03644908      -1.91544972       1.25176291       1.27419230       0.38585782 
O       6.18239686       4.27004276      -7.10021511      -0.33611012      -0.89686480      -0.28204191 
O       1.76399851      -0.49623402      -4.28841287      -0.03802253       0.42676881      -1.24013489 
O       1.56086731      -1.36354634      -9.79723419       1.02445486      -0.26797476       0.12029686 
O       6.91776531      -0.40069025      -4.46632691      -1.01129963       1.25381397       0.39362173 
O       6.89903795      -1.28022135      -9.71514691      -0.62388867       0.24242744       0.19730837 
O       1.49870228       5.85177667      -4.76556681       0.02856390      -0.04624117      -0.04155351 
O       1.67746086       3.94038363      -9.75898601       0.29052379      -1.27103948       0.92533817 
O       7.01632547       4.89387896      -4.48064288      -0.92216258      -1.46126125       1.03502769 
O       6.93035097       3.73542927      -9.84072372      -0.31827413      -0.48584468       1.69250381 
O       4.12618990       4.36114413      -3.18471728       0.22590914       0.50665176      -1.09680093 
O       4.40220279       3.37624733      -8.75411143      -0.80079868      -1.63550811       0.75309068 
O       9.37565474       4.24497972      -3.30018917       0.05431647      -1.31857099      -0.32680225 
O       9.46703822       3.28858316      -8.56533317       0.25104610       1.21206208      -0.63182536 
O       4.32248699       9.36347532      -3.43648015      -0.08510744       0.04353832       0.18401881 
O       4.32944495       8.49526749      -8.74021296      -0.34202593       0.09006063       0.42488741 
O       9.49295650       9.38622262      -3.47064905       0.29768280       0.00787754       0.72411284 
O       9.44244969       8.55047072      -8.63165549      -0.03970645       0.36075639      -0.23676067 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014886387743001075 -0.0027642215237098033 0.0005995793332200395 -0.0027642215237098033 -0.017851572172934805 0.001436563416367135 0.0005995793332200395 0.001436563416367135 -0.019276001159334855" pbc="T T T" energy=-947.10201211 free_energy=-947.1358772 config_type=crystal 
Hf       2.79559958       2.08201658      -9.46795327       0.68119594       0.93311156       0.57994755 
Hf       7.99854946       2.98162459      -4.14525273       0.48176284      -0.61764602       0.45503631 
Hf       7.99431500       2.23012530      -9.35998195       0.30566800      -0.78457731      -0.28832087 
Hf       2.90270876       8.08687550      -4.09247500      -0.51650058       0.77576769      -0.72243253 
Hf       2.84156042       7.29591387      -9.40770448       0.06130649      -0.13692589       0.39947614 
Hf       8.03267213       8.20043547      -4.15067334       0.16652363       0.42341232      -0.61115316 
Hf       7.99463835       7.27924514      -9.45391000      -0.50045279      -0.48455134       0.73706665 
Hf       0.31127038       0.82066948      -3.68191725      -0.96233827      -0.41541924      -0.74245346 
Hf       0.20058527      -0.10291487      -8.94504083      -0.14669371       0.03981337       0.18292128 
Hf       5.29968135       0.82875091      -3.83465855       0.31669474       0.55572193       1.12712977 
Hf       5.41256307      -0.03872477      -9.01956790      -0.21245529      -0.52989259       0.43401721 
Hf      10.33968772       5.91943548      -3.40606751       1.57139848       1.39140163      -1.07322516 
Hf       0.25249040       5.04492308      -9.06570316      -0.50118554       0.21610064       1.34909316 
Hf       5.42964482       5.97306506      -3.73694882       0.08276882      -1.21358013      -0.09562502 
Hf       5.37525568       5.08336623      -8.98918477       0.35060934      -0.49145138       0.13971841 
Hf       2.33994670       1.26420620      -1.11584908       0.26577498      -0.39825364      -0.67931876 
Hf       2.36351895       0.35481547      -6.27281521       0.67086450      -0.23634038      -0.40797514 
Hf       7.51703264       1.23083624      -1.06874177       0.25847200       0.32083925      -1.16412286 
Hf       7.54571526       0.41923899      -6.33775083       0.66354707      -0.69647458      -0.25721385 
Hf       2.41148087       6.43392468      -1.09032646      -0.27780543      -0.53252391       0.02585891 
Hf       2.50527769       5.29051699      -6.54200254      -0.05594177       0.60230619       1.29676285 
Hf       7.50979684       6.32520396      -1.09834576       0.12823754       0.84129015       0.23514537 
Hf       7.59621885       5.40568603      -6.27983517       0.42459323       0.39393317      -1.31808423 
Hf       4.89220182       3.37854340      -1.62826534       0.58052960       0.63325315      -0.16132442 
Hf       4.92917288       2.53846716      -6.73355337      -0.87386644       0.51859155      -1.16684910 
Hf      10.16634404       3.45453522      -1.45333053       0.31060978      -1.11598028       0.01235333 
Hf      10.27581650       2.50925814      -6.73369355      -1.27711315       0.16723431      -0.55637896 
Hf       5.01969708       8.59500741      -1.56819349       0.02115397       1.01731712       0.93675365 
Hf       5.09314119       7.78817993      -6.74032814      -1.15538685      -0.77117345      -1.05253792 
Hf      10.19083822       8.64082097      -1.51731301       0.00696062       0.02526625      -0.50934609 
Hf      10.13307203       7.68135656      -6.80015658      -0.45559440      -0.36047342       0.19663396 
O       1.19802418       2.30248455      -2.64070434       0.03942513       0.39568270       1.08422442 
O       1.40065083       1.50134911      -8.01253901      -1.09779946      -0.68777712       0.44303750 
O       6.50373606       2.38305757      -2.79416052      -0.46280240      -0.29560421      -0.13063113 
O       6.48151631       1.47175078      -8.01798713       0.21506001       0.30182591      -0.03443417 
O       1.35756716       7.47667417      -2.75880956       0.11341000       0.34468295       0.76717430 
O       1.41195163       6.53098038      -7.96553051      -0.76949970       0.46079069      -0.66030943 
O       6.58821082       7.48584038      -2.80496415      -0.46199339       0.29950247       0.51459383 
O       6.59432052       6.51882688      -8.05006442      -0.38258376       0.77330309       0.36049544 
O       3.91811738       1.31730375      -5.24865241       0.71932987      -0.57764390      -0.15340697 
O       3.94899422       0.58504609     -10.39600558      -0.51821795      -0.50504323      -0.21551245 
O       9.01509925       1.40086910      -5.09675715       0.42442489       0.11013991       0.08017584 
O       9.11390503       0.62799195     -10.37101555       0.39842604      -0.64817662       0.58464747 
O       3.97757429       6.63439468      -5.11193207       0.76295811      -0.35044268      -0.23177876 
O       3.86934118       5.61830495     -10.41341649       0.54480561       0.70946450       0.47912671 
O       9.20058420       6.52840953      -5.04417284      -0.51324553       0.62220449      -0.33101501 
O       9.16641519       5.87513761     -10.37114901      -0.03291329      -1.53007913       0.01809419 
O       3.88928608       1.73832687      -2.40824753       0.51055569      -0.32877176      -0.17535057 
O       3.85312484       0.98069332      -7.82394798       0.07834596       0.05757079       0.09993529 
O       8.97120067       1.88646123      -2.45261061       0.46891525       0.43191179      -0.45170603 
O       8.98282502       1.05410729      -7.77461108       0.82696622      -0.19237343       0.35898685 
O       3.93219457       7.04357467      -2.43319556      -0.17768950      -0.19259071      -1.13744390 
O       3.88863284       6.04131654      -7.82405151       0.56075592       0.81640882       0.21611438 
O       9.04461714       7.06083793      -2.43824644      -0.67542368       0.47347733       0.56008771 
O       9.04319886       6.11890269      -7.70704643       0.55252419      -0.25281902      -0.05017737 
O       1.33714577       2.82749206      -0.09018480      -1.03404824      -0.04685084      -0.06804310 
O       1.13294675       1.75663483      -5.33080353       0.11421029       0.13940839      -0.91091677 
O       6.43598749       2.79402813      -0.14902903      -0.02961725       0.34278394       0.20551281 
O       6.41114409       2.00306213      -5.46280313       0.75370080      -0.50497289       1.19777482 
O       1.23084442       7.98793920      -0.10147219       0.59674608      -0.03225253      -0.25138834 
O       1.33780482       6.95516714      -5.33715890       1.06298941      -0.16182922       0.12179750 
O       6.42750184       7.97448819      -0.13607782       0.05830597      -0.23290775      -0.35366584 
O       6.55313318       7.10235968      -5.43420342      -0.02493578      -0.57778302       0.56057929 
O       3.49905860       4.68531059      -0.88033292      -0.32615074      -0.01779289       0.27432611 
O       3.56652289       3.77755343      -5.96715830       0.25782822      -0.01747250      -0.53156371 
O       8.68394132       4.72233861      -0.69647020       0.05891301       0.10748329      -0.95309890 
O       8.80191928       3.76048346      -5.97335554      -0.03777192       0.03543593      -0.20938187 
O       3.46312273       9.74232993      -0.73904829       0.45119878       0.47028967      -0.84963436 
O       3.46929352       8.83900919      -6.12419770       0.00929375       0.36708598       0.55082488 
O       8.69824658       9.82853074      -0.94989289      -0.55660287       0.58632677       1.35014861 
O       8.71165245       8.88358561      -6.00038604      -0.16240059       0.39340423      -0.57839506 
O       0.94976949      -0.05547424      -1.92471124       0.89634675       0.22695136       0.89764088 
O       0.80116261      -0.85902152      -7.09174260       0.48069593      -0.00384093       0.07307088 
O       6.14525789       0.00735280      -1.86497015      -0.49143744      -0.03286409      -0.26681666 
O       6.15234771      -0.86763053      -7.17677246       0.40148280       0.36759036       0.67936832 
O       0.81629451       5.21296950      -1.66068768       0.15406016      -0.17934260      -0.30869114 
O       0.96609327       4.15503094      -7.13265131       0.31362373       0.54577547       0.15970518 
O       6.10516653       5.20418189      -1.85691043      -0.34458664      -0.69911405       0.06402522 
O       6.13860821       4.25850907      -7.07656117      -0.40850817      -0.37570811      -0.22623851 
O       1.77068166      -0.52390764      -4.49247788      -0.45827954       0.06484312       0.62186063 
O       1.64107675      -1.30420599      -9.73005144       0.08571223      -0.27956058       0.18667939 
O       6.90485101      -0.38219100      -4.52207000      -0.71570497       0.15849270       0.28606175 
O       6.82125859      -1.36721215      -9.75390258       0.35508859       0.27939941      -0.03202821 
O       1.63756327       5.63808140      -4.60646656      -0.20772570      -0.02153753      -0.90251750 
O       1.70805041       3.86074385      -9.74773264       0.45578538      -0.33358361       0.10987664 
O       6.96461245       4.70925860      -4.43295994      -0.63278788       0.69580972       0.18122943 
O       6.84323334       3.86249949      -9.78094715      -0.03227707      -0.21035905       0.85323455 
O       4.37945885       4.26662348      -3.37708611      -0.00761441       0.44622295      -0.36302369 
O       4.24885959       3.37252387      -8.76902604       0.16265228      -0.36707586       0.92789691 
O       9.51925402       4.22464387      -3.31198489      -1.25427630      -2.01093894      -0.23325047 
O       9.59177579       3.32451653      -8.76329954      -0.60821825      -0.11548281       0.50584069 
O       4.43870233       9.32704753      -3.43739842      -1.09717319      -0.66183756      -0.54258818 
O       4.36487035       8.42132954      -8.60700296      -0.53550071       0.18537225      -0.96801368 
O       9.49124854       9.37618720      -3.44037943       0.32146909      -0.14289876       0.19564093 
O       9.44618926       8.39179807      -8.60557897       0.47200468       1.35161456      -0.80292461 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018945846254355733 -0.0018631627507518303 0.003505406493321364 -0.0018631627507518303 -0.019956455028057294 0.00017577724349727324 0.003505406493321364 0.00017577724349727324 -0.020619350408136974" pbc="T T T" energy=-946.69134176 free_energy=-946.72827625 config_type=crystal 
Hf       2.77992073       2.08787661      -9.35817217       0.67308873       0.06275028      -0.15463215 
Hf       7.96250729       2.96523200      -4.16185415      -0.05589521       0.85571629      -0.03802868 
Hf       8.04036105       2.03190945      -9.42965795       0.82103581       1.47605847      -0.59277891 
Hf       2.80192384       8.16755168      -4.11025407       1.05975121      -0.81435903       0.02925873 
Hf       2.81393637       7.23691357      -9.51564651       0.34562762       0.14432947       0.58076135 
Hf       7.92658056       8.32632740      -4.17591843       0.74031719      -0.95713593       0.37398204 
Hf       7.99543591       7.26514456      -9.37020963       0.65628768      -0.43459433      -1.64371692 
Hf       0.29390331       0.84592170      -3.77631992       0.07715005      -0.87417464       0.81879607 
Hf       0.29750002      -0.16683450      -8.91140788      -0.74777453       1.25167117      -0.63706543 
Hf       5.32514121       0.84652624      -3.69317314      -0.83902793       0.77979994      -0.09906527 
Hf       5.43615621      -0.09920108      -8.90871480      -0.89248140      -0.75026972      -0.71354150 
Hf      10.27839745       5.93708914      -3.44032913      -0.70953838       0.27482304       0.27934225 
Hf       0.22850451       5.03935492      -8.94644917       0.72913330      -0.10294129      -1.02188741 
Hf       5.43316308       5.88552600      -3.72953877      -0.66046541       0.40452668      -0.24381091 
Hf       5.45422410       4.99789355      -8.91728905       0.15139595      -0.01857574      -1.00727986 
Hf       2.45018648       1.30944882      -1.10588885      -0.80599846      -0.55210237      -0.02021827 
Hf       2.39948963       0.37637456      -6.25438395       0.72097273       0.02063114      -0.04954040 
Hf       7.54944538       1.26604853      -1.05629679       0.19508108      -0.67502631      -0.89656223 
Hf       7.57132962       0.36663211      -6.32740880       0.55094769       0.23048172      -0.58847362 
Hf       2.37673800       6.31140695      -1.19984556      -0.56269445       0.00648611       1.72928162 
Hf       2.58389669       5.38567846      -6.50520492       0.17643100       0.62313117       0.38592172 
Hf       7.49099103       6.44109668      -1.08237563       1.00449602      -0.76521594       1.07370164 
Hf       7.54285647       5.52676554      -6.38845941       1.12055522       0.38807285       1.78061224 
Hf       4.95068589       3.47369153      -1.60567448      -0.06295162      -0.01928635       0.01074566 
Hf       5.03631075       2.50046385      -6.69685477      -1.75432967       0.20533006      -0.37431149 
Hf      10.21695132       3.26347417      -1.56542039      -0.60281238       1.21451534       0.83885712 
Hf      10.16712757       2.61929318      -6.77684445       0.41803598      -0.45265490      -0.24872921 
Hf       4.93718245       8.57745501      -1.56194952       0.76457667       1.11402795       0.62810930 
Hf       4.99667520       7.73205510      -6.80439830      -0.94494938      -0.04101059       0.52280835 
Hf      10.19774392       8.68040056      -1.50595494       0.19751602      -0.26860256       0.40524417 
Hf      10.13506696       7.73805595      -6.86315841       0.01866703      -0.18858877       1.00951665 
O       1.24940139       2.22491827      -2.59993487       0.00229633       0.21989480      -0.63055807 
O       1.32190061       1.44764101      -7.99570100       0.52231542       0.10255840       0.01439360 
O       6.57043781       2.37222879      -2.77230376      -0.66610121       0.22883187       0.21778523 
O       6.56370074       1.38867918      -7.94410701      -0.26339176       0.57272492      -0.55603912 
O       1.28019801       7.55184830      -2.68774486      -0.01309431      -0.93390822      -0.09173245 
O       1.41941436       6.62164286      -8.06673190      -1.00003888      -0.07983363       0.78321326 
O       6.47521709       7.67365466      -2.76582553       0.45934162      -0.67966532       0.22160168 
O       6.61815492       6.59089277      -8.06591957      -1.41448949       0.19148463       1.37890867 
O       3.99288709       1.35520044      -5.19397461       0.27457702      -0.37808740      -0.46916985 
O       3.98283178       0.55451620     -10.29041485      -0.25181177      -0.08042602      -0.50280582 
O       9.07759988       1.49829730      -5.04906233       0.22027519      -0.55458043      -0.81916485 
O       9.19611242       0.49849368     -10.42396013      -0.51213480      -0.33938407       0.88939065 
O       3.95587759       6.47937656      -5.14954684      -0.74983409       0.17895844      -0.22052149 
O       4.04073149       5.68928328     -10.40134565      -1.19488485      -0.49952920      -0.21259629 
O       9.04914772       6.67370674      -5.07433462       0.55617364       0.19027106       0.00143322 
O       9.16147232       5.67739037     -10.32583993      -0.17074860       0.46536207       0.02556352 
O       3.91918436       1.82620490      -2.39735265       0.73749262      -0.04914762       0.12220809 
O       3.86039389       0.81816258      -7.73340448       0.27949330       1.12229864       0.06874371 
O       8.98438574       1.86184430      -2.48812349       0.40916019      -0.36607550      -0.47584254 
O       9.02938673       1.04228840      -7.75971453       0.30773155      -0.35154981       0.27188878 
O       3.84950985       7.05666053      -2.48796598      -0.33853204      -0.40454496      -0.42823984 
O       3.90796586       6.24500158      -7.84742151       0.31541423      -1.53310719       0.28260501 
O       8.99812743       7.01024081      -2.39395277      -0.55419708       1.05260328      -0.09975502 
O       9.03007114       6.14977307      -7.68999495       1.02103811      -0.00413123      -0.71586761 
O       1.22689216       2.77032007      -0.09796237       1.15234396       0.32009944       0.78511526 
O       1.16511053       1.75925109      -5.42865880      -0.50439204       0.44722374       0.09968606 
O       6.53919751       2.89754508      -0.15867739      -0.44818281      -0.39110632       0.54482050 
O       6.49327199       1.92938645      -5.42819310       0.45927349       0.75175127       1.02282759 
O       1.34908422       7.91853859      -0.10297126      -0.57226573      -0.50992953      -0.64646812 
O       1.35198872       7.33776566      -5.45498271      -0.20772833      -0.80820838      -0.11946534 
O       6.38684586       7.93577633      -0.06118691       0.87868380       0.18011635      -0.63577135 
O       6.35616052       7.07315356      -5.31212582       0.99999063       0.54805892      -0.98622437 
O       3.41628743       4.56091609      -0.81473682       0.21203737       0.52632261      -0.16443637 
O       3.52281352       3.75097661      -6.21930959       0.43078870      -0.06259835       0.15771605 
O       8.75553960       4.63939290      -0.84882224      -0.83066560       0.32399239       0.47678069 
O       8.68511418       3.81123136      -6.14966666       0.01843044      -0.04997135       0.77958965 
O       3.52774112       9.85036477      -0.79027991       0.06062056      -0.18841288      -0.31386782 
O       3.51890687       8.85568390      -6.01971247      -0.08141752       0.22977602       0.08820194 
O       8.58525264       9.73128791      -0.82073213       0.34569217       0.49856568       0.04851817 
O       8.71437460       8.95469217      -6.07866895      -0.57931671       0.31379665       0.39801270 
O       1.04113956      -0.07465962      -1.86735284      -0.12700187       0.40389969       0.18155123 
O       0.88357240      -0.82810333      -6.98780645      -0.31448296      -0.85511586      -0.82898933 
O       6.10219584       0.08220300      -1.84097705      -0.59848635      -0.75205153       0.19160438 
O       6.14665767      -0.91644840      -7.03777842      -0.03513423       0.18063066      -0.48420819 
O       0.87044395       5.06310202      -1.85413733       0.78262940       0.57369415      -0.22588452 
O       1.01122902       4.29853480      -7.15477856      -0.78099962      -0.77096194       0.93775916 
O       6.04835551       5.26603198      -1.81356444       0.25578113      -0.05958987       0.44491213 
O       6.22460515       4.30288260      -7.09868055      -1.67845214      -1.28146654      -0.02486345 
O       1.64825063      -0.57417241      -4.43516432      -0.40870053       1.72811014      -0.31663577 
O       1.58700503      -1.36315884      -9.75732965       1.16166099      -0.50921352      -0.11554925 
O       6.84333496      -0.27649082      -4.45763421       0.81308435      -1.14658702      -0.13083353 
O       6.91918089      -1.32410156      -9.72150911      -0.49498795       0.64224154       0.68363796 
O       1.33478831       5.97203017      -4.82601741       1.06736908      -0.34531211      -1.48081204 
O       1.76136686       3.78872418      -9.69867454      -0.32071943       0.76286854      -0.33598188 
O       6.92945533       4.80421169      -4.46501843       0.65563912      -1.01093586      -0.11687127 
O       7.04500528       3.87752712      -9.67723707      -0.66775790      -0.48216222       0.24648996 
O       4.46930186       4.16964497      -3.42979642      -0.20681952       0.34941539      -0.09704287 
O       4.38555681       3.25763796      -8.55429390      -0.48360694      -0.09180103      -1.34977958 
O       9.43601831       4.18196594      -3.43167403       0.23523161      -0.70661589      -0.25647104 
O       9.59584982       3.29972021      -8.68934308      -0.50396596      -0.16786768      -0.24509154 
O       4.21501061       9.43248417      -3.46022711       0.49722345      -0.39147509       0.85030108 
O       4.26663583       8.44752609      -8.70504177       0.98187530       1.12805664       0.26999430 
O       9.53338472       9.34780722      -3.35271425      -0.84071200       0.10981375      -0.85527649 
O       9.53250227       8.42494284      -8.70382812      -0.18256766       0.24617837       0.23953886 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014137358226267287 -0.0064599645043079135 0.0036259175203163722 -0.0064599645043079135 -0.015992352395709106 -0.0002455828620215003 0.0036259175203163722 -0.0002455828620215003 -0.01869230267824415" pbc="T T T" energy=-946.50378027 free_energy=-946.53452163 config_type=crystal 
Hf       2.78380805       2.13707948      -9.35096384       0.13223456       0.10822207      -0.73101409 
Hf       8.08552859       2.92741037      -4.09218414      -0.98216945       0.43792082      -0.72605269 
Hf       7.97493315       2.07557224      -9.36732249       0.28458158       0.17701611      -0.79241466 
Hf       2.88389776       8.20097589      -4.13118005       0.76899123      -0.88134321       0.89285517 
Hf       2.73814208       7.37886884      -9.38966122       0.16625199      -0.54130150      -0.92002858 
Hf       7.97361556       8.18877524      -4.23014618      -0.78857014      -0.36303683       1.41280021 
Hf       8.04532065       7.25174444      -9.33797913      -0.87575647       0.50987879      -1.55020364 
Hf       0.27403198       0.79836027      -3.73639785      -0.02655518      -0.04218032       0.21017347 
Hf       0.20751871      -0.07147455      -8.95241193       0.82579394       0.80269403      -0.19736562 
Hf       5.29951645       0.82821118      -3.76646859       0.09391775       0.44771627      -0.52991005 
Hf       5.42346852      -0.05290665      -9.03099715      -0.39023441      -0.33220067       0.28818383 
Hf       0.07740479       5.99343419      -3.51344408      -2.18233314      -1.98945561       2.14236389 
Hf       0.18898222       5.03407121      -8.90416017       0.01362924      -1.24026989      -0.68731366 
Hf       5.40545912       5.87333577      -3.71888855       0.65115272       0.87093111      -0.07287048 
Hf       5.41559777       5.06703470      -8.97389886      -0.26115843      -0.52239494      -0.61924371 
Hf       2.46909432       1.23303121      -1.15227749      -1.32276538       1.05249593      -0.33893865 
Hf       2.41370013       0.27455064      -6.30437650       0.54547697       1.55427106       0.27590992 
Hf       7.50366896       1.22312280      -1.21104276       0.45994718      -0.48875573       1.67359730 
Hf       7.51005005       0.28420882      -6.31165288      -0.14978613       1.99868655      -0.52545584 
Hf       2.40017134       6.47698166      -1.06394069       0.05240957      -0.49639891       0.03153913 
Hf       2.63327356       5.35879435      -6.51795042      -0.45052899      -1.57549001       0.88102675 
Hf       7.53164711       6.40346740      -1.07869465      -0.15655798      -0.66973794       0.36440333 
Hf       7.56967559       5.41514484      -6.34692939      -0.62739120      -0.74785937       1.08340406 
Hf       4.86427219       3.45132993      -1.65461414       0.42266029       0.35839082       1.47913371 
Hf       4.99513162       2.60517946      -6.75017664      -0.17874207      -1.80958764       0.13741756 
Hf      10.22746443       3.39264193      -1.43010701      -0.23749515       0.38150837      -0.84141472 
Hf      10.15395756       2.50752408      -6.74729149       0.43211931      -0.71757078       0.42558180 
Hf       5.00024406       8.62183967      -1.51094934      -0.59077566      -0.75605579       0.12945193 
Hf       5.04019391       7.72302796      -6.85354418      -0.26594685       0.30055629       1.13684622 
Hf      10.12093117       8.63822858      -1.53692684       0.25479139       0.26343484      -0.10415766 
Hf      10.10793208       7.73872648      -6.83788792       0.70036459      -0.20785532       0.87427220 
O       1.18984816       2.24209022      -2.56928230       0.45325995       0.07331765       0.12495377 
O       1.38063819       1.42389118      -7.97799523      -0.36654145      -0.12397706       0.35279081 
O       6.47057190       2.35023802      -2.75118593       0.73816423      -0.11792712      -0.13414768 
O       6.55261086       1.44751292      -7.98166939       0.04446306       0.04243136      -0.52612157 
O       1.25817017       7.53130110      -2.84433882       0.16536426       0.44518550       1.10526209 
O       1.28182108       6.54715748      -8.05956073       0.03242185       0.46602692       0.50650384 
O       6.49270676       7.49761679      -2.76489308       0.36979810       0.27987422       0.15859605 
O       6.50401265       6.58144074      -7.96380138       0.54009130       0.28719819      -0.45760137 
O       4.14658407       1.26034227      -5.37630341      -0.71976671      -0.61860751       0.37517132 
O       3.87541743       0.55169202     -10.43603853      -0.05313956       0.21485657      -0.09349844 
O       9.09565479       1.34578925      -5.05800453      -0.04125745       0.29175756      -0.30906816 
O       9.17407471       0.54717974     -10.33372157      -0.62456612      -0.20789620      -0.48168920 
O       3.94973069       6.49034273      -5.07374112       0.31756703       0.28863885      -1.21944934 
O       3.92732973       5.62197972     -10.39950899       0.09006269       1.09573547       0.53653728 
O       9.28172429       6.59950499      -5.09597128      -0.52750062       0.59740814      -0.95932151 
O       9.10887207       5.66677253     -10.35007644      -0.03514475      -0.07487870       0.08067560 
O       3.90502561       1.84924561      -2.57903944      -0.08826993      -0.67588322       1.02211981 
O       3.88141730       1.00651511      -7.85017634      -0.03987790       0.07022617      -0.20389906 
O       9.09166346       1.84430275      -2.46110254      -1.27036680      -0.16962688       0.12318037 
O       9.14582422       0.90968425      -7.77923943      -1.00432962      -0.02189629       0.99900918 
O       3.88746279       7.17123589      -2.46220563      -1.09491412      -1.16256030      -0.39759826 
O       3.85467538       6.21586311      -7.87674345       0.12554594      -0.06046024       0.75205567 
O       8.96980670       6.96748889      -2.53927415       0.02486121       0.76553615       0.82297043 
O       8.97901012       6.10866554      -7.71416121       0.73115337       0.47194914      -0.24167767 
O       1.25512062       2.92315581      -0.02908736       0.40168381      -0.14171132      -0.07380156 
O       1.18115066       1.70828204      -5.40227765      -0.06422570       0.06983952      -0.42495870 
O       6.36522532       2.77767351      -0.17142856       0.72661541      -0.29859622       0.19342257 
O       6.58481267       2.02283393      -5.42628598      -0.35138418      -0.37600220       0.42433131 
O       1.20141973       7.95447467      -0.09824862       0.02642033       0.31357050      -0.44023373 
O       1.54924753       7.15702261      -5.60315153      -0.33164302      -0.83010081       0.62554506 
O       6.45654729       7.99343196      -0.06993915       0.17298393      -0.21768916       0.01486118 
O       6.48746818       7.05503608      -5.42817756       0.46274128      -0.23414421      -0.00483155 
O       3.56159997       4.83883695      -0.69696352       0.08463333      -1.14913867       0.11947088 
O       3.72603969       3.80951425      -5.88212583      -1.40518601       1.34707300      -0.33553162 
O       8.55505252       4.58571687      -0.80554692       0.59665425       0.46874392      -0.14854281 
O       8.67706305       3.68362747      -6.01454597       0.03661494       0.81545674       0.33237422 
O       3.32713226       9.74225628      -0.80148109       1.40489019      -0.52604917      -0.37589939 
O       3.62185703       8.84940095      -5.91868456      -0.57922301       0.59065631      -0.94268440 
O       8.66489415       9.76806085      -0.77888782      -0.14833353       0.38937285       0.27357704 
O       8.63666995       8.93233496      -6.01374793       0.83734095      -0.80002736      -1.01278734 
O       0.89515747      -0.00759677      -1.80638960      -0.14511334      -0.56154626      -0.14778066 
O       0.98660849      -0.98157228      -7.05302663      -0.16430367      -0.29347591      -0.13114900 
O       6.16629803      -0.12672455      -1.89960161       0.73342300       1.95756082       0.31405432 
O       5.95587918      -0.78015578      -7.08407991       0.83927586      -0.46446068      -0.13345813 
O       1.03865140       5.09073439      -1.81966517      -0.57436005       0.53944458      -0.25284320 
O       0.93595372       4.13625436      -7.08263377       0.90276210       1.20297792       0.40321043 
O       6.05389333       5.23908220      -1.78476280       0.02497672      -0.69190916       0.17391951 
O       6.05384574       4.27296597      -7.07442798       1.28502334       1.28863386      -0.19153111 
O       1.72780704      -0.46803555      -4.40798356       0.16115885      -0.22185884      -0.24158173 
O       1.71154623      -1.18486278      -9.77040456       0.18791618      -0.98731453       0.81581624 
O       6.79298940      -0.38645107      -4.52677909       0.53527890      -0.80438021       0.21455177 
O       6.97502768      -1.31257901      -9.66724398      -0.46949045       0.39836989      -0.13326971 
O       1.54904097       5.82840566      -4.76868642       1.31961072       0.11942370      -2.41385227 
O       1.69384335       3.91533740      -9.62825384      -0.17347795      -0.46016735      -0.33524195 
O       6.92790240       4.68885080      -4.41640923       0.16862578       0.32039514      -0.17188175 
O       6.85940240       3.81995616      -9.66654632      -0.11479743       0.06330097      -0.12103583 
O       4.27571996       4.35312216      -3.25951116      -0.87362710      -0.02284240      -1.03809757 
O       4.14740948       3.47688237      -8.56352245       0.23240827      -0.26626182       0.23485161 
O       9.58329627       4.12396369      -3.39501008       0.39494519       0.73011852      -0.06953054 
O       9.34081546       3.27411757      -8.52988824       0.79288456       1.12725523      -0.89201978 
O       4.35250497       9.36621174      -3.38203986      -0.52803377       0.37103440      -0.16804502 
O       4.33068784       8.48031666      -8.68618010      -0.41108268       0.14489013      -0.60850739 
O       9.36820563       9.37293892      -3.41732456       0.84501880       0.08694071       0.36946257 
O       9.55054512       8.49682927      -8.62017100      -0.95125069      -1.09170139      -0.42675368 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014571738194720761 -0.005853772716591621 0.0026058150117777576 -0.005853772716591621 -0.01808990482305757 0.0002530611698712412 0.0026058150117777576 0.0002530611698712412 -0.020079606500521967" pbc="T T T" energy=-946.41203016 free_energy=-946.44635877 config_type=crystal 
Hf       2.72565897       2.17687319      -9.31053144       0.72562616      -0.20754592      -1.37335469 
Hf       7.98596318       2.95069354      -4.19071007       0.37135400       0.77817405       0.26306211 
Hf       8.01518349       2.09848096      -9.42257972       0.49529148       0.14811334       0.70699565 
Hf       2.98278739       8.11205244      -4.16598750      -2.57237545       0.93659174      -0.52589944 
Hf       2.79505533       7.32523914      -9.39882729      -0.43609188      -0.24929698      -0.98884026 
Hf       7.92354535       8.19035415      -4.12358687       1.13399525       0.02387835      -1.45862425 
Hf       7.94479652       7.28859352      -9.40738747       0.97249354      -0.59941918      -0.51093624 
Hf       0.23316373       0.72454116      -3.76081843       0.56081739       0.03520355      -0.10937548 
Hf       0.23939593      -0.13216154      -8.92900193       0.00802317       0.35388457      -0.46474780 
Hf       5.37265488       0.84877178      -3.71257203      -1.25952573       0.96508239      -0.02004236 
Hf       5.39996432      -0.07719507      -8.99066483      -0.41995292       0.11052021      -0.00313389 
Hf       0.00112475       6.00547036      -3.40632646      -0.35121616      -1.27831402      -1.16098337 
Hf       0.15702281       5.02319055      -8.87902723       0.31209683       0.82356620      -1.26520188 
Hf       5.45474466       5.92582833      -3.76588927      -0.75118522      -1.61048941      -0.78100951 
Hf       5.43007716       5.06956926      -8.99555505       0.75078747       0.04503471       0.67529830 
Hf       2.41089662       1.27378434      -1.15173367      -0.33507661       0.28027302       0.75558054 
Hf       2.51830588       0.40651163      -6.29560201      -1.32907555      -0.49116157       0.59796696 
Hf       7.47036546       1.28424363      -1.07536302       0.41762767      -0.78936270       0.16092215 
Hf       7.57067400       0.31174512      -6.32542902       0.33850038      -0.22609841      -0.75456194 
Hf       2.38406992       6.39935888      -1.13346811      -0.69905134      -0.00765659       1.48137764 
Hf       2.56466613       5.36308882      -6.53374572      -0.07302374      -0.81775131       0.39973335 
Hf       7.52543434       6.31206088      -1.08319793       1.17162969       0.78628466       0.78986288 
Hf       7.56506667       5.49523311      -6.34566827       1.15967348      -0.04841068      -0.75337471 
Hf       4.92608427       3.51706989      -1.55196641      -0.41733190      -0.08977802       0.00298488 
Hf       5.05102268       2.47245764      -6.76089416      -1.29112599       1.45766592       0.15206149 
Hf      10.11740595       3.34879093      -1.51412419       1.11231316      -0.38767937       0.32547157 
Hf      10.23232812       2.50659479      -6.72700027      -0.53119912       0.15061950      -0.69464860 
Hf       5.00314752       8.60323371      -1.57220880      -0.84458155       0.27882504       1.19700615 
Hf       4.96907079       7.70251553      -6.87943338       1.14868722       1.11660689       0.57973029 
Hf      10.22308284       8.65241224      -1.46688531      -1.22535355      -0.95892685       0.50169346 
Hf      10.13927784       7.73550800      -6.87919228      -0.02647516      -0.60421644       0.56539158 
O       1.14616414       2.20940990      -2.62086401       0.25233218      -0.15579433       0.17079670 
O       1.39492131       1.45778832      -7.91596849      -0.68642279       0.06902997      -0.43533898 
O       6.51975686       2.37439810      -2.77186231      -0.26093397       0.17219596       0.48696888 
O       6.52168883       1.43169952      -7.99635015       0.21779439       0.73805832       0.41932429 
O       1.31290261       7.55962873      -2.65560215      -0.03121154      -0.64230208      -0.52190410 
O       1.26208087       6.66682424      -7.98534533       0.97734336      -0.61617159      -0.46567991 
O       6.47446837       7.42847788      -2.78975542       0.56796246       1.37683275       0.21877988 
O       6.51166396       6.65874305      -7.97381726      -0.38716427      -0.64630538      -0.58410307 
O       4.01817904       1.33696344      -5.24426537       0.60366626      -0.49521849       0.08332734 
O       3.84989626       0.50126885     -10.26682728      -0.04700411       0.58537565      -0.75605087 
O       9.03139040       1.37146707      -5.12431667       0.62399688       0.46429009       0.33899463 
O       9.05944752       0.45731583     -10.33788873       0.06450865       0.34397434      -0.46133758 
O       4.05021523       6.65778285      -5.26808553      -0.19820676      -1.18800245       0.68172604 
O       4.05225661       5.77735203     -10.32061957      -0.68096277      -0.30456575      -1.59966457 
O       9.12710569       6.57231645      -5.15212117       0.60276161       0.24488844       0.77522133 
O       9.22306225       5.62201855     -10.34785977      -0.74711632       0.62487854      -0.70251289 
O       4.04057210       1.85726655      -2.28409092      -0.45009812      -0.95132391      -0.66037186 
O       3.86424121       0.98141031      -7.82974346       0.49521342       0.80947901       0.60111197 
O       8.88777283       1.91201556      -2.43573481       0.58605537      -0.70667565      -0.64696044 
O       9.04675868       0.85706822      -7.77987723       0.18876711       1.18474389       0.51906998 
O       3.81030041       7.09146103      -2.54475514       0.75235111      -0.92314277       0.33657601 
O       3.86539994       6.20193566      -7.87344343      -0.10475098      -0.33643347       0.72087562 
O       9.04624644       7.06024803      -2.46334620      -1.70176540       0.09399503       0.62451206 
O       8.98805549       6.19119603      -7.85802510      -0.03506936      -0.53351371       1.18784857 
O       1.23228639       2.85003978      -0.06939301      -0.08438513       0.01822907       0.21474540 
O       1.18366126       1.72603606      -5.43776102      -0.59862838       0.16339961       0.68962276 
O       6.42129177       2.98101038      -0.07038028      -0.00637800      -1.35014734      -0.55707473 
O       6.44674010       2.02747501      -5.32647372       0.41099918      -0.63995247      -0.37924244 
O       1.33908075       8.00226257      -0.10005230       0.09876927      -0.32488562      -0.10044719 
O       1.42669567       7.14240442      -5.46770984       0.26063225       0.79568978      -0.12397242 
O       6.56882336       7.97464890      -0.11154099      -0.89552320      -0.40841296      -0.73522391 
O       6.52852429       7.09432911      -5.48310685      -0.33933102       0.47826334       1.09707217 
O       3.48233584       4.65083794      -0.71366711      -0.30994194       0.94199378      -0.02527040 
O       3.54083341       3.71433506      -6.05250664       0.19508869       0.71892221      -0.67691757 
O       8.69047006       4.62392144      -0.77474881      -0.51245403       0.47370785      -0.10050386 
O       8.78149393       3.77783150      -6.11853253      -0.44164984      -0.16348790       0.94280601 
O       3.44685859       9.78209680      -0.82762954       0.41572887      -0.11221796      -0.17383461 
O       3.63877233       8.97339349      -5.96921243      -0.34182052       0.14868035      -0.37988654 
O       8.51204137       9.75191297      -0.81490714       1.04689397       0.35484613      -0.49371155 
O       8.74467873       8.91112130      -6.05781321      -1.35810743       0.87107084       0.57554535 
O       0.89678771      -0.07739462      -1.79243558       0.59456615       1.47565245      -0.40232672 
O       0.94858614      -0.94548596      -7.16959027       0.63085507       0.33982456       0.79285449 
O       6.05939780      -0.03047962      -1.83874914       0.50146732       0.84744904      -0.01346989 
O       6.16779507      -0.89436663      -7.18954201      -0.18494209      -0.03933100       1.02737781 
O       0.86390762       5.17518902      -1.77280663       0.31876978      -0.26803869      -0.23532626 
O       0.93638513       4.29748656      -7.07006646       0.14233178      -0.74914944       0.69185982 
O       6.08949526       5.23460929      -1.89447197      -0.00190895      -0.71085362       0.45021447 
O       6.17835119       4.23423129      -7.06198668      -0.66549593      -0.03580972      -0.64223515 
O       1.60924276      -0.54889482      -4.47598839       1.05864545      -0.22405311      -0.15097092 
O       1.72109730      -1.27726349      -9.71254676      -0.11079832      -0.02287917      -0.36174303 
O       6.89929324      -0.28662307      -4.40787015       0.47647493      -1.41287370      -0.31131390 
O       6.84580701      -1.32586900      -9.66788934      -0.16400261       0.79381037      -0.77941025 
O       1.56307286       5.86302678      -4.77260031       0.08759149      -0.91194031       0.51846805 
O       1.60415744       3.87387455      -9.70362126       0.97574971      -0.39510027      -0.32819172 
O       6.96215349       4.77279681      -4.52069400      -0.32308270      -0.43345102       1.03443196 
O       6.86596387       3.84749125      -9.74571475       0.17828796      -0.65886638       0.22890663 
O       4.28746245       4.29840779      -3.31061530       0.32137191       0.90189609      -0.54900332 
O       4.17669515       3.54821022      -8.63037327      -0.32360927      -1.60117528       0.42982581 
O       9.52463890       4.10821912      -3.37625152       0.21741415       1.20310885      -0.56651976 
O       9.52978531       3.30827288      -8.68066855      -0.65808335      -1.11591158       0.35559653 
O       4.25207082       9.39492243      -3.43462637       1.01016916       0.51151595       0.62264438 
O       4.27658495       8.51942981      -8.66092966      -0.19175426      -0.01928971      -0.11086673 
O       9.52181949       9.22463770      -3.48167718       0.00597067       0.91235028       0.56854412 
O       9.50976800       8.44042096      -8.68905264      -0.23450492       0.50575531      -0.63228422 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016122938167142678 -0.0012024210158790504 0.0012447715964075065 -0.0012024210158790504 -0.01917916076234883 9.634100135784482e-05 0.0012447715964075065 9.634100135784482e-05 -0.019272431228326163" pbc="T T T" energy=-946.44962453 free_energy=-946.48046222 config_type=crystal 
Hf       2.78372856       2.07602775      -9.39009185       0.82396977       0.11916394       0.21105674 
Hf       8.03748190       3.03771285      -4.12133670      -0.66422148      -0.40930294      -1.48881552 
Hf       7.94691416       2.09110356      -9.43633002       0.83463617       1.06262714      -0.02207903 
Hf       2.91886308       8.14330754      -4.07865161      -0.62861403       0.23131972      -0.33409734 
Hf       2.80930562       7.22652464      -9.39640554       0.58400906       0.83142348      -0.84131849 
Hf       8.00861496       8.23037610      -4.13599898      -0.43966744       0.26977022       0.12416400 
Hf       7.92350950       7.29907521      -9.40788100       1.45331458      -0.00928956       0.08512435 
Hf       0.27927887       0.80685109      -3.77497270      -0.06985366       0.55671152       0.29087771 
Hf       0.26746261      -0.06403309      -8.97087742      -0.26962448      -0.55297594      -0.33849250 
Hf       5.33069835       0.89358910      -3.84443354       0.23746452       0.33994177       0.69715906 
Hf       5.39856797      -0.04008977      -8.90392863      -1.18329664      -0.00304491      -0.80009512 
Hf      10.33402085       5.90163067      -3.41923640      -0.39689885       2.31348729      -0.05013231 
Hf       0.29548316       4.98867690      -9.00309972      -1.75550367      -0.13489410      -0.39522848 
Hf       5.37222795       5.89767701      -3.70348734       0.21406014       0.66915911       0.03193035 
Hf       5.48333231       5.03102428      -8.95775473      -1.17019647       0.33724289       0.49455173 
Hf       2.38358677       1.19384905      -1.17572656      -0.17951600       0.98517102       0.65539682 
Hf       2.37628187       0.38635075      -6.28004077       0.01772120       0.37655370       0.16205853 
Hf       7.58799472       1.24838426      -1.01240918      -0.28872705       0.80459338      -1.31432571 
Hf       7.56714961       0.33554439      -6.35300545       0.61248383       0.98857529       0.74582259 
Hf       2.44978521       6.31780940      -1.18798694      -0.22089863       0.19570982       1.48200506 
Hf       2.47204984       5.28409831      -6.53751427      -0.35738768       1.76154508       0.59907692 
Hf       7.51217632       6.32237577      -1.09415361      -0.16004908       1.28050232       0.23701101 
Hf       7.58906679       5.51233136      -6.33053630      -0.12657354      -0.03785215       0.49731743 
Hf       4.92412123       3.38121102      -1.58883795       0.20157145       0.39271287       0.12085129 
Hf       4.97492218       2.54481302      -6.74325171      -0.67940096       0.71001427      -0.08946020 
Hf      10.21010557       3.36788911      -1.53824729      -0.07650027      -0.22135650       1.05627553 
Hf      10.15043878       2.54029652      -6.80238145      -1.13664201       0.11390498      -0.02671083 
Hf       5.05672446       8.71585481      -1.51446367      -0.31718299      -0.43356349      -0.60539179 
Hf       4.95671236       7.75151290      -6.78997070      -0.08855902      -0.44636372       1.00929812 
Hf      10.16474455       8.61522049      -1.45126569      -0.18255800       0.46501055      -0.25305969 
Hf      10.13980920       7.76393531      -6.86192271       0.14715923      -0.44645432       0.00542106 
O       1.15575241       2.25607966      -2.58096640       0.58766914      -0.09256680      -0.24878027 
O       1.37238289       1.40406860      -7.98251490      -0.29927130       0.44737672       0.02795453 
O       6.51469855       2.46909982      -2.88304429      -0.99118336      -0.20465962       0.80358486 
O       6.41927938       1.54655891      -8.03397354       1.00427757      -0.31998522       0.16849169 
O       1.29841937       7.36953171      -2.66566675       0.38461929       1.36043522      -0.47868952 
O       1.34549915       6.60077561      -8.08957203       0.03249892      -0.45137395       0.57054955 
O       6.54337680       7.55889681      -2.75583989      -0.38240444      -0.18780237       0.18885698 
O       6.50982831       6.79566301      -7.98404693       0.10821962      -1.30449099       0.06039032 
O       3.99122869       1.33146052      -5.32184748       0.56834808      -0.00121556       0.80457308 
O       3.94569686       0.60186245     -10.30607153      -0.43231987      -0.77546811      -0.59484994 
O       9.08577403       1.47917728      -5.10495390      -0.23358606      -0.44855489      -0.17313940 
O       9.07923147       0.58663870     -10.37409086       0.59918044      -0.24441979      -0.28064530 
O       3.94771352       6.63133927      -5.05872875       0.21740376      -0.37536824      -1.12536387 
O       3.99016390       5.67569955     -10.31730957      -0.68048926       0.21134115      -1.05183079 
O       9.13350175       6.66712329      -5.06629484       0.35622963      -0.13176739       0.02692768 
O       9.12693560       5.76583465     -10.38528585       0.00762348      -0.34996649       0.76257291 
O       4.00459186       1.80719866      -2.47039860      -0.65513758      -0.84524791       0.44993126 
O       3.83334016       0.93652125      -7.70300843       0.31301842       0.59151273      -0.95258734 
O       8.91241529       1.98153048      -2.50944356       0.65802584      -0.37287348       0.54005265 
O       9.03204987       1.06763462      -7.85135177      -0.71268886      -1.16862078       0.99273610 
O       3.89904776       7.02309945      -2.54990126      -0.33669032       0.76123816       1.22500520 
O       3.95534342       6.05215022      -7.80431577      -0.75962536       1.19717284       0.61312537 
O       8.97071170       7.10608067      -2.43843104       0.37067668      -0.10276733      -0.35900431 
O       9.08231916       6.15766927      -7.69953925      -0.41936518      -0.07821693      -0.50661666 
O       1.26439427       2.82518995      -0.01976683      -0.19687397       0.22766402      -0.95253975 
O       1.09710127       1.89006483      -5.49324569       1.02285718      -1.47645997       1.06426801 
O       6.35456966       2.83939365      -0.15485454       1.43496847       0.13291748       0.39904623 
O       6.51299246       2.00707950      -5.45110180      -0.06790961      -0.53178136       0.35510124 
O       1.23917890       7.90218870      -0.11434077       0.95611574      -0.12357706      -0.20277131 
O       1.45466125       7.06444514      -5.49131768      -0.14831497      -0.54534286       0.67992345 
O       6.45398961       8.01175841      -0.12999945       0.43844780       0.16531147       0.50939560 
O       6.41937403       7.07518545      -5.30792297       0.47442250       0.35630682      -0.94718379 
O       3.54003315       4.61294071      -0.77800252      -1.08917339       0.93113635       0.15427825 
O       3.59214463       3.91285636      -6.04119005       1.40028480      -1.89596881       0.36321218 
O       8.71958357       4.76389384      -0.74251128      -0.12925687      -0.91259417      -1.13273335 
O       8.71141970       3.81742714      -6.05461820      -0.03629654       0.17434811       0.10434945 
O       3.47738330       9.81381437      -0.76596024       0.72808087      -0.66931790      -0.41737064 
O       3.50253582       8.93370508      -5.94089875       0.33047068      -0.28234150      -0.66070390 
O       8.65647395       9.86104204      -0.70345152       0.49415973      -0.06308508      -0.51928380 
O       8.79235356       8.97653732      -6.01208033      -0.69535563       0.54905939      -0.16382921 
O       0.88220182      -0.01985065      -1.76469398       0.23000084      -0.26763055      -0.51044276 
O       0.99417252      -0.93433082      -7.15875513      -0.12257726      -0.17592213       0.34500917 
O       6.24816514       0.04325090      -1.85505519      -1.18853858      -0.29902247      -0.06376579 
O       6.13810241      -0.86191456      -7.02391019      -0.45532650       0.02411823      -0.38582307 
O       0.84936059       5.12413518      -1.74747365       0.49974497      -0.17387178       0.01974175 
O       0.89646011       4.15979767      -7.08430052       0.82488343       1.34446387      -0.66588711 
O       5.92105517       5.29290031      -1.71166970       0.75594502      -0.59211703      -0.48887678 
O       6.17455479       4.25622749      -7.04767039      -0.08427750       0.81922678      -0.73434913 
O       1.77311963      -0.42314092      -4.39701622      -0.76660192       0.22056352       0.04627024 
O       1.66975282      -1.28524057      -9.82406990       0.34664356      -0.80006696       0.81607754 
O       6.88148885      -0.33591514      -4.43673437       0.42427282      -0.37034840      -0.72691605 
O       6.88730003      -1.16144643      -9.65154917       0.63114464      -1.26136383       0.29420140 
O       1.46091756       5.71213947      -4.70689920       0.79598787       0.51842838      -1.83759666 
O       1.74756907       3.80405891      -9.71314130       0.19740622       0.34365202      -0.18865980 
O       6.88673428       4.77922420      -4.44236993       0.67974139      -0.55391177       0.37818255 
O       6.93299863       3.93413271      -9.71848179       0.50335265      -1.21754584       0.54602744 
O       4.12107434       4.36253185      -3.20437542       0.22091510       0.16123912      -0.81264456 
O       4.30394551       3.35836973      -8.65892373      -0.16408483      -0.40050679       0.12920883 
O       9.67875607       4.13485936      -3.52403518      -0.87312754      -1.39075177       0.45540513 
O       9.55127774       3.25325075      -8.77772619      -0.11725200       0.71098155       0.14772348 
O       4.30641227       9.42314657      -3.39880352       0.36009102      -0.08544544       0.39929010 
O       4.28193211       8.52051945      -8.65434547      -0.45476910      -0.64252431       0.31026717 
O       9.49874805       9.45853615      -3.37034064      -0.44968100      -0.95559026       0.03352272 
O       9.54744206       8.47163172      -8.71962100      -0.70354900      -0.10272212       0.40788331 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016951334358155178 0.0015352084146452178 0.0015341493928257926 0.0015352084146452178 -0.02177458381122821 0.0018143485008216644 0.0015341493928257926 0.0018143485008216644 -0.017261724538328752" pbc="T T T" energy=-946.30139408 free_energy=-946.33604082 config_type=crystal 
Hf       2.80533082       2.25132132      -9.44777041       0.66544540      -1.46009351       1.36462032 
Hf       7.94096198       2.97595045      -4.15186358      -0.09665538       0.22195394       0.47281473 
Hf       8.13227495       2.03415843      -9.40710795      -1.60535177       0.62522076      -0.40296241 
Hf       2.79689971       8.17616818      -4.14010534       1.42191002      -0.25538610      -0.00973870 
Hf       2.83890498       7.23446377      -9.42431315      -0.01178013       0.92841716       0.32335531 
Hf       7.87975098       8.19945421      -4.17093852       0.63494134       0.22273011       0.07101483 
Hf       8.05709825       7.23348454      -9.45335147      -0.59958331       0.43093842       0.01603564 
Hf       0.21583438       0.73093239      -3.71651006       0.03095332       0.91528432      -0.88445517 
Hf       0.35803242      -0.13129943      -8.95115448      -0.73924800       0.04029748       0.09684558 
Hf       5.31187166       0.82617288      -3.66309642       0.04161344       0.88333258      -0.71744373 
Hf       5.37057173      -0.18295801      -9.03238323       0.15022457       0.95704468       0.80774478 
Hf      10.30556640       5.97144210      -3.48426915      -0.65879911      -0.78750682       0.08689020 
Hf       0.14583901       5.03392063      -8.96979890       0.47402245       0.46897035       0.33549976 
Hf       5.41944134       5.90731419      -3.71175687      -0.60153255      -0.21859531      -0.27616076 
Hf       5.44479179       5.02417622      -8.92092404       0.37096890      -0.02208390      -0.14058453 
Hf       2.43094646       1.27804297      -1.11771009      -0.41671396      -0.53353971       0.17584909 
Hf       2.42212427       0.44743414      -6.30573591      -0.20991721      -0.21230596       0.47274484 
Hf       7.57835274       1.27227112      -1.14845381      -0.21871750      -1.14269352       0.89007777 
Hf       7.53720602       0.40327411      -6.32398215      -0.07194978      -0.29356248      -0.57311493 
Hf       2.38504847       6.49857725      -1.03461046       0.30536300      -1.68239136      -1.26771811 
Hf       2.57286251       5.32392797      -6.50982843      -1.03168129       0.63213940       0.01966300 
Hf       7.51111464       6.29262470      -1.03159280      -0.04112475       0.48259714       0.10156640 
Hf       7.58241700       5.51950003      -6.36813175      -0.18802681      -0.42403013       0.83795911 
Hf       4.93661587       3.42790854      -1.55826308       0.01000421       0.69090659      -0.26762862 
Hf       4.99001845       2.52745472      -6.74818898      -0.14421657      -0.40773892       0.28616085 
Hf      10.33872007       3.34621909      -1.53420572      -1.58462331       0.07772477      -0.46656594 
Hf      10.09606844       2.56228234      -6.71689608       0.40417101       0.20450145      -1.40615451 
Hf       5.02625835       8.60187189      -1.53563264       0.06489960       0.14623865      -0.24621988 
Hf       4.97380128       7.74655210      -6.71998420      -0.70762121      -0.10184426      -0.30284645 
Hf      10.23918374       8.63554295      -1.58834232      -1.48309329      -0.00100754       0.15719118 
Hf      10.08882017       7.78936345      -6.83896034       0.99534641      -0.86777583      -0.18564891 
O       1.23114325       2.16615369      -2.57535143      -0.12302205       1.24998337      -0.29601485 
O       1.42183623       1.40466283      -7.93635180      -0.29447581       0.68754229      -0.94140176 
O       6.48890329       2.37430655      -2.64056342       0.81182563       0.35388030      -1.11558793 
O       6.57065527       1.45686499      -8.00959002      -0.16962267      -0.07253534       0.23201928 
O       1.31274333       7.47325281      -2.74569444      -0.05734472       0.27429833       0.29100697 
O       1.44062729       6.71741600      -8.01521498      -0.65547288      -1.27718829      -0.41319741 
O       6.51658927       7.49157164      -2.70264519      -0.12132643       0.57551615       0.32653995 
O       6.58538134       6.62727005      -7.89495178      -0.08086830       0.41946045      -0.55431417 
O       4.05534253       1.19235699      -5.24699658      -0.23320740       0.38044976      -0.37804843 
O       3.76998482       0.63178226     -10.33260515       1.31863234      -0.78380583      -0.22408503 
O       8.99680007       1.49110244      -5.16474297       0.12407568      -0.28093002       0.30701385 
O       9.19490050       0.39376821     -10.38764197      -0.15699410       1.20561886       0.01577081 
O       3.89125587       6.51608962      -5.12121878       0.01783496       0.34330505      -0.44029597 
O       3.90170124       5.67569387     -10.40667879      -0.10609662       0.14707165       0.16276239 
O       9.17855282       6.71942654      -5.17195037      -0.26150996      -0.46430668       0.36718930 
O       9.08802966       5.66676255     -10.38450870       0.13746807      -0.05323220      -0.18686551 
O       3.94650263       1.81100629      -2.32769408       0.43580108      -0.32190070      -0.64966325 
O       3.95622712       0.96690512      -7.77340908      -0.48719363       0.41121196      -0.24340366 
O       9.02467245       1.78569174      -2.48682015       0.23445353       0.85207579      -0.89674297 
O       9.02346530       1.02851599      -7.77883914       0.87732754      -0.42659370       0.41018093 
O       3.90266857       7.01670611      -2.54969976      -0.74981070       0.31373909       0.82951382 
O       3.98101015       6.06475051      -7.73798294      -0.06746997       0.72662037      -0.67286299 
O       8.91842482       7.07005563      -2.54568475       0.45817801       0.03264894       0.69517587 
O       9.05211571       6.01188969      -7.73352670       0.60393048       1.30337695      -0.69337331 
O       1.29883810       2.87064790      -0.07642158      -0.08973065      -0.03495123       0.27954833 
O       1.00015338       1.77211948      -5.42819037       1.10226597      -0.32578471       0.53735608 
O       6.41773445       2.75223844      -0.11224653       0.06906914      -0.00676948      -0.06412967 
O       6.45616285       2.04403577      -5.29680012      -0.40239287      -0.22981572      -0.51549562 
O       1.19945462       7.97780930      -0.11348518       0.77490541      -0.22977830      -0.10088260 
O       1.45604669       7.17804138      -5.52686751      -0.54673757       1.25114047      -0.38326346 
O       6.45518398       7.87701779      -0.00664183      -0.20199845       0.53224247      -0.66624530 
O       6.30674189       7.13451228      -5.22872955       1.36083354      -0.01669089      -1.00631146 
O       3.68092866       4.80137434      -0.65939841      -0.95201794       0.62296320      -0.63555032 
O       3.57714957       3.79541773      -6.03703214       0.32353051      -1.15405392       0.19197049 
O       8.71101656       4.75210663      -0.74924751       1.00341205      -1.74512746      -0.16084247 
O       8.62388168       3.81823409      -6.19306967       0.04406020      -0.58389028       1.15838132 
O       3.61754662       9.87653934      -0.78077047      -0.48712802      -0.54683894       0.21224491 
O       3.40860703       8.89585297      -6.07594489       0.52396256      -0.40028674       0.30197213 
O       8.79335071       9.81013138      -0.85643128      -1.05994867       0.13260418       0.67908678 
O       8.58668494       8.87088816      -6.16982768      -1.17105159       1.29298076       0.40919232 
O       0.91736008      -0.04108949      -1.91677416       0.82884296      -0.64008668       0.76583741 
O       0.91821125      -0.89886833      -7.09537927      -0.11984028       0.01409619       0.29268035 
O       6.11818432       0.01613765      -1.92701969       0.61228149      -0.66612962       1.30491891 
O       5.97218519      -0.79525576      -7.09619800       0.74867520      -0.20949061       0.61551515 
O       0.92461427       5.09815439      -1.90983579       0.76210607       0.43266401       0.37786292 
O       0.83050168       4.27917195      -7.15609407       1.29574564       0.03661466       0.84334469 
O       6.11464008       5.14662402      -1.92091349      -0.03019722      -0.55470622       0.86477081 
O       6.10814490       4.27737480      -7.14197656       0.64534837       0.00629920       1.03414155 
O       1.72955157      -0.44158951      -4.45002559      -0.28934328       0.09577455       0.06417093 
O       1.71334977      -1.34280224      -9.75874671       0.14247921      -0.05827225      -0.13827321 
O       7.01579286      -0.25382132      -4.38499620      -0.79803346      -0.49028779      -0.49817921 
O       6.86668465      -1.39736821      -9.76654549       0.09110366      -0.02339649       0.02021675 
O       1.38170694       5.89279054      -4.89643948      -0.09538187      -1.47547024       0.52224030 
O       1.60503781       3.79474478      -9.77219113      -0.12715798       1.02685815      -0.46191786 
O       7.12600303       4.83203464      -4.38141792      -1.27227956       0.52092769      -0.64794001 
O       6.76561638       3.66840307      -9.72246593       0.40505013       0.16841256      -0.15957484 
O       4.41807220       4.17542551      -3.48969743       0.27302012       0.09830613       0.73008162 
O       4.21986038       3.42636208      -8.52932183      -0.61727577      -0.25602232      -0.42242728 
O       9.39689645       4.20938726      -3.39384704       1.11680634      -0.37452435       0.19489788 
O       9.47041984       3.37534798      -8.71415040      -0.31209781      -0.99333401       0.01317965 
O       4.31837181       9.36656378      -3.39399047      -0.41834599      -0.59614891      -0.23992543 
O       4.30940041       8.38905293      -8.62114483      -0.21787382       0.20703655      -0.67091377 
O       9.46557568       9.30963579      -3.51293742       0.63243286       0.11699953       0.21111404 
O       9.51827734       8.43152166      -8.69246249      -0.07356765       0.05673349      -0.22109718 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016295297560242616 -0.001597726865295175 0.002585485867301953 -0.001597726865295175 -0.022203055192652577 -0.0005404449539200267 0.002585485867301953 -0.0005404449539200267 -0.01681993700328997" pbc="T T T" energy=-946.87439408 free_energy=-946.90977729 config_type=crystal 
Hf       2.77511937       2.10306266      -9.41894305       0.40585399      -0.08509410      -0.17834577 
Hf       7.95474845       3.00689334      -4.15628622       0.37805914      -1.03117922      -0.24152923 
Hf       8.08180399       2.12372813      -9.39585615      -1.26965602       0.69247160       0.79443180 
Hf       2.88860061       8.10715004      -4.20258508       0.68400745       0.00659924       1.43763768 
Hf       2.90289891       7.28261518      -9.48113487      -1.21679096      -0.74559107       0.35044560 
Hf       7.93985219       8.23796692      -4.11136335       0.36168036       0.25934603      -0.80060560 
Hf       7.99297257       7.33721818      -9.36531142      -0.29202839      -0.28849451      -0.41309837 
Hf       0.26103112       0.82796684      -3.72067144       0.31500155      -0.93305979      -0.70445738 
Hf       0.23863598      -0.17210292      -8.89020048       0.59944426       1.74762211      -0.55112097 
Hf       5.31509410       0.84317168      -3.75451525       0.21487172       0.28809983       0.38126019 
Hf       5.40772587      -0.07949474      -8.95885645      -0.76290604       0.89907110      -0.10730185 
Hf      10.32768111       5.94521814      -3.56226434      -0.21235678      -0.33098644       1.49699278 
Hf       0.14303623       5.03197245      -8.95608283       1.42678052       0.31492780       0.50721720 
Hf       5.44454617       5.83406231      -3.73284645      -0.09748935       0.49410458       0.18257689 
Hf       5.42460854       5.10115838      -9.01827706      -0.21934751      -1.12178919       0.17999655 
Hf       2.39027874       1.23009497      -1.09965234      -0.02745684       0.38164013      -0.24674302 
Hf       2.44193742       0.35913651      -6.22660770       0.19478441       0.78360139      -1.34044966 
Hf       7.49721056       1.34083861      -1.08728370       0.41557098      -0.74833766       0.12156805 
Hf       7.60749710       0.27775735      -6.37251060      -0.67615274       1.83040785       0.53708567 
Hf       2.29749694       6.38179188      -1.11235301       0.43734595       0.01445358      -0.08460906 
Hf       2.55111490       5.33474006      -6.50618788       0.16366766       0.18690682      -0.75783443 
Hf       7.55961612       6.38620053      -1.04581889      -0.39217160      -0.95436865       0.35573153 
Hf       7.58814164       5.44257289      -6.33996351      -0.16971985       0.17750972      -0.71861429 
Hf       4.95098409       3.44214492      -1.63221041      -1.31157208      -0.01548095       0.71471638 
Hf       4.93989224       2.58812959      -6.77782667       0.67431294      -0.68555807       0.02622408 
Hf      10.20661578       3.36208474      -1.46722805      -0.00207803       0.42242842      -0.45862913 
Hf      10.20586196       2.52441979      -6.73808952      -0.02304518      -0.03413576       0.23957332 
Hf       5.02768182       8.59265448      -1.60608926      -0.52045590      -0.22106894       0.22436895 
Hf       5.01382553       7.71401801      -6.80554212      -0.38342698      -1.01197056       0.41615582 
Hf      10.10638746       8.65084242      -1.48654577       1.24305965       0.43516582      -0.01792814 
Hf      10.15695204       7.77711320      -6.78141913      -0.05053244      -0.72583352      -0.43163050 
O       1.18866139       2.19577820      -2.64447394       0.34127805       0.54857572       0.78916811 
O       1.36514252       1.41453277      -7.96918178      -0.35824023       0.12874333      -0.38079102 
O       6.46431164       2.34658386      -2.71565646       0.60859429       0.32737940      -0.32738208 
O       6.52159053       1.44578318      -7.96119409       0.39547754      -0.26864531      -0.27085566 
O       1.21039310       7.52071329      -2.71706669       0.19979842      -0.45386795      -0.06556797 
O       1.32069492       6.56128025      -7.98415897       0.08938425       0.01268229      -0.00976413 
O       6.61831566       7.50167850      -2.65479434      -1.12622677      -0.06307091      -0.74092716 
O       6.45721746       6.66554513      -8.06267458       0.80700428       0.25709704       0.20297955 
O       4.16265890       1.25214873      -5.30683311      -1.85782278      -0.48996039      -0.56107023 
O       3.89818204       0.59207850     -10.43770456       0.56051738      -0.45181966       0.84697657 
O       9.13293485       1.47074599      -5.11295503      -0.86557726       0.13864303       0.32310321 
O       9.07295438       0.60412589     -10.32978931       1.01908240      -0.86308661      -0.23390660 
O       4.08489876       6.53830811      -5.14112936      -1.13613828       0.41034776      -0.90036430 
O       3.96374314       5.66383698     -10.49861268      -0.02222737       0.06630182       0.63236879 
O       9.24346546       6.69366469      -5.18980693      -0.33136604      -0.11352859       1.07902138 
O       9.09357299       5.74245520     -10.35982760       0.19208890      -0.16099779       0.11182067 
O       3.89269088       1.74241157      -2.35081574       0.74397103      -0.19689978      -1.02619707 
O       3.84184711       1.06459193      -7.85543955       0.36580564      -0.57127011       0.42040932 
O       9.00166418       1.94369464      -2.42965287      -0.43362798      -0.89735816      -0.50620969 
O       9.08072975       1.06032979      -7.77093588      -0.23095126      -0.71405873       0.38917896 
O       3.78668181       7.02136017      -2.53359816       0.49550606      -0.09119906      -0.32121057 
O       3.92078010       6.08294606      -7.85985210      -0.39048405       0.89222485       0.02869299 
O       8.99017729       7.07844886      -2.46546070       0.26933108      -0.53305495      -0.10795921 
O       9.05550253       6.17427643      -7.70784689      -0.19383020       0.28979397      -0.76940937 
O       1.29969519       2.81440750      -0.12440663      -0.46601083      -0.60102923       0.59320817 
O       1.16317565       1.71606939      -5.43717362       0.13261126       0.16590388       0.93666514 
O       6.43880596       2.90354375      -0.09388248      -0.04301081      -0.37056038      -0.17762209 
O       6.41099509       2.05582184      -5.34626648       1.59867412      -0.18946885       0.14243046 
O       1.29257919       6.14056069     -10.48962795      -0.72523767      -0.17754148      -1.18219271 
O       1.49269285       7.09914678      -5.45400994      -0.31417127      -0.72081704      -0.03135915 
O       6.44713254       7.89595546      -0.11370086       0.17824442       1.11412056      -0.18000403 
O       6.45820028       6.97270331      -5.34620862       1.07009256       1.13476849      -0.28861581 
O       3.43676245       4.69644400      -0.85949231       0.53077387      -0.11957131       0.29249653 
O       3.58512734       3.78815658      -6.03870561      -0.29498390      -0.01081211       0.32735955 
O       8.73114100       4.70911007      -0.70625633       0.41005384       0.19157816      -0.63118621 
O       8.80300943       3.86747916      -6.00240835      -0.19073834      -0.57517196       0.29196198 
O       3.52488212       9.76784334      -0.89050684      -0.24140781       0.28247890       1.11356585 
O       3.55334363       8.90710468      -6.11652156      -0.42381697      -0.62204974       0.79051165 
O       8.77722882       9.93011946      -0.60228793      -0.13735452       0.12353715      -1.13888573 
O       8.81721899       9.04987900      -5.91293150      -0.48813120      -0.61898504      -0.50511965 
O       1.03098502      -0.12170618      -1.77220599      -0.85343708      -0.02345395      -0.49140704 
O       0.85687433      -0.86072085      -7.03151303       0.55915978      -0.24897762       0.09679020 
O       6.18033106      -0.00642547      -1.88332917       0.00206792      -0.24741369       0.29699393 
O       6.11651283      -0.94599733      -7.03208175       0.75667954       0.87095599      -0.84870603 
O       0.92974843       5.05863816      -1.88824208      -0.21112779       0.59222123      -0.45253378 
O       1.00646413       4.16046822      -6.98691253      -0.04216445       0.52713602      -0.75246636 
O       6.12792605       5.08347594      -1.87994157       0.92378316       1.16998879       0.75881580 
O       6.05527171       4.34910724      -7.07283242       0.58136348      -0.00814495      -0.04367863 
O       1.75255786      -0.53541352      -4.50833387      -0.71820686       0.40177985       0.96492640 
O       1.71372403      -1.34415981      -9.55866898       0.18838021       0.02797226      -1.19795627 
O       6.85723426      -0.34977970      -4.52145960       0.26097660      -0.55723744       0.40843103 
O       6.84560378      -1.25540279      -9.76066107      -0.14999349      -0.53136247       0.60520837 
O       1.60499230       5.73313339      -4.73062065      -0.24357644       0.59634606       0.17644190 
O       1.57165348       3.70264115      -9.76850847      -0.55554169       1.13905291       0.25521144 
O       7.07146635       4.78740289      -4.47713191      -0.70011316      -0.03645296       0.95742503 
O       6.96508874       3.90552785      -9.63966787      -0.26679633      -0.64482109      -0.12269143 
O       4.44017838       4.17825481      -3.45940261      -0.23940856      -0.02298497      -0.22396017 
O       4.20399232       3.41358310      -8.62629306       0.11802779       0.22164222      -0.62472332 
O       9.50992676       4.12245544      -3.38250693       0.32481225       1.05575772      -0.18048114 
O       9.43658904       3.40326035      -8.53151037      -0.04827652      -0.10581366      -0.63277515 
O       4.34418691       9.30929220      -3.45784842       0.25380533       0.19452562      -0.22298083 
O       4.23707533       8.52542761      -8.64442725       0.75491081       0.03186225      -0.18444516 
O       9.47573168       9.34916939      -3.40208957      -0.04886874       0.47600786       0.85990052 
O       9.36468550       8.60505585      -8.57214364      -0.27935892      -1.01745968       0.73208566 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01927012417306645 -0.0022718783452117144 0.0025447970948197724 -0.0022718783452117144 -0.015123976267922834 -0.0025493910889552787 0.0025447970948197724 -0.0025493910889552787 -0.019805678642442964" pbc="T T T" energy=-946.11821588 free_energy=-946.15541927 config_type=crystal 
Hf       2.86755112       2.14697450      -9.39316065       0.18346184      -0.75737752       0.00581028 
Hf       7.98454168       3.00275881      -4.12355831       0.50670029      -0.85721938      -1.66307327 
Hf       8.07963189       2.20197362      -9.42065402      -0.42737403      -1.57661888       0.46846217 
Hf       2.76185044       8.09495581      -4.09945821       1.91775771      -0.39670133      -0.11848171 
Hf       2.82071936       7.19812766      -9.44523084      -0.04888471       0.95196602      -0.09339703 
Hf       7.91125083       8.16260052      -4.20830527       0.99205880       0.52611229       0.47030147 
Hf       8.02566449       7.22890145      -9.46579645      -0.42493430       0.69975065       0.96397123 
Hf       0.34996373       0.74625256      -3.70491080      -1.44132858       0.90069580       0.39625264 
Hf       0.26990568      -0.08746720      -8.97028466      -0.36311203      -0.25207153       0.32873075 
Hf       5.29682142       0.83911589      -3.70213056      -0.13949664      -1.00145211      -0.35641127 
Hf       5.46153866      -0.01190672      -8.93019500      -0.36771609      -0.97639452      -1.09655512 
Hf      10.30895593       5.93636937      -3.51391041      -0.74513540       1.50589545       1.28473254 
Hf       0.23209031       5.04318962      -8.94394688       0.39643031      -0.79693017       0.33816281 
Hf       5.40464826       6.00781759      -3.76182240       0.17187644      -1.19560990       0.00347460 
Hf       5.44622035       5.00744106      -8.95560841      -0.19057881      -0.08021514       0.33814031 
Hf       2.35680630       1.35984141      -1.01361055       0.65888634      -1.26383760      -1.02388414 
Hf       2.37433774       0.40392874      -6.26344606       0.45371293      -0.11441955      -0.06158137 
Hf       7.57317120       1.30613646      -1.08853086      -0.06619073      -0.96582029      -0.15698852 
Hf       7.53433425       0.33947067      -6.31698046       0.59881680      -0.17099895      -0.27679397 
Hf       2.38960971       6.39440084      -1.13141525      -0.85477758      -1.13716976       0.92314336 
Hf       2.53137760       5.32319261      -6.49024085      -0.14328064       1.07245427      -0.04416901 
Hf       7.54853508       6.41916479      -0.98203634       0.17310848      -0.33149335      -1.15765392 
Hf       7.67037241       5.48483508      -6.36146997      -1.24296536      -0.47877346      -0.13898106 
Hf       4.96478261       3.46898803      -1.64238127      -0.59091147       0.62942350       0.55671786 
Hf       4.96384540       2.57801272      -6.72628077       0.94191567      -0.99575762      -0.50984173 
Hf      10.18211879       3.38543838      -1.50318835       0.61252308      -0.06633384      -0.05477924 
Hf      10.11920192       2.43182490      -6.77723423       0.47070177       1.12798025       0.52989483 
Hf       4.93563024       8.56716641      -1.50553072       0.56950274       0.41793572      -0.82174252 
Hf       4.98591803       7.70842559      -6.86996899       0.11824673      -0.23770519       0.85808331 
Hf      10.20565821       8.65910827      -1.55123011      -0.78792241      -0.49354023       1.11892319 
Hf      10.14749303       7.73653683      -6.90684557      -0.44035486      -0.16465879       0.53259100 
O       1.21691707       2.26402624      -2.54832324       0.42079417      -0.03702458       0.36685351 
O       1.35546645       1.46967468      -7.95573504       0.01006508      -0.01762902       0.09521862 
O       6.54542837       2.31464868      -2.80310250      -0.11349170       0.59849531       0.88699198 
O       6.64511348       1.40576567      -8.00760573      -0.67328903       0.52937422       0.48820002 
O       1.21643973       7.46163030      -2.65874781       1.21502712       0.08455929      -0.16286770 
O       1.32585463       6.64844204      -8.09093060      -0.31623068       0.10331242       1.66678700 
O       6.49792092       7.63434934      -2.80407296      -0.64194489      -0.49281984       0.69958357 
O       6.57831968       6.58358527      -7.99562026      -0.15643990       0.09296134       0.01577385 
O       4.05826896       1.14445322      -5.32595457       0.05868583       0.55597313       0.93360452 
O       3.95056887       0.64105982     -10.44648777       0.08483715      -0.67155625       0.76030987 
O       9.04588226       1.29186715      -5.18030148       0.27088650       0.81070768       0.33099773 
O       9.17114226       0.51394304     -10.44466760      -0.37950882       0.09818634       0.21499985 
O       3.96667778       6.53844276      -5.19766724      -0.54208584      -0.10881477      -0.12443652 
O       3.86708067       5.54206984     -10.42247682       0.64715383       0.50396268       0.10637890 
O       9.06458916       6.55022295      -5.18383220       0.96903848      -0.05438623       0.81543216 
O       9.12968550       5.65365787     -10.31240454      -0.46751923       0.27860356      -0.92430964 
O       3.94399514       1.71248899      -2.38254126       0.30700976       0.19484174      -0.03646850 
O       3.85015010       0.94986567      -7.72377555       0.33186210       0.17931055      -0.99192048 
O       9.10312770       1.83859162      -2.62800272      -1.09111512       0.08202355       0.99866098 
O       9.08064611       0.93461385      -7.79198966       0.22346477       0.10196835      -0.16540895 
O       3.84821304       6.97074969      -2.53991395      -0.50095795       0.18699968      -0.04258912 
O       3.78848775       6.13238334      -7.90213586       1.29436862      -0.28816213       0.34735130 
O       8.95434491       7.15735502      -2.48051130      -0.43850911      -1.55015206       0.26053191 
O       9.07795887       6.09614144      -7.79487595       0.24872378       0.35399926       0.08502353 
O       1.21014852       2.81503478      -0.01603019       0.73666921       0.21868946      -0.03353846 
O       1.08670495       1.84801903      -5.32789539       0.72181756      -0.94692884      -0.53757206 
O       6.50975038       2.92096319      -0.14520660      -0.18371423      -0.60929243      -0.18892769 
O       6.45939641       1.97645466      -5.35715895      -0.00449682      -0.10665096       0.16250760 
O       1.20504231       6.09718149     -10.46589590       0.85835106       0.07055656      -1.80076519 
O       1.29911677       6.97921378      -5.23463550      -0.39656538      -0.20039054      -0.90460437 
O       6.40852688       7.96556036      -0.04403095       0.05282534      -0.19211119      -0.49518653 
O       6.43724648       7.15213982      -5.38066062       0.29198848      -0.84512224      -0.03934686 
O       3.39712035       4.65476111      -0.89510021       0.68904448      -0.39363806       0.04173586 
O       3.53121241       3.75823796      -6.27609685      -0.20637481      -0.45859703       0.75229297 
O       8.65129793       4.70882424      -0.73308060       0.37170526      -0.06168147      -1.01526623 
O       8.66614223       3.71158081      -6.08292410       0.32896728      -0.13926471       0.55167549 
O       3.54236130       9.75051897      -0.73021310      -0.49570550       0.67494334      -0.23733819 
O       3.55905310       8.88435166      -6.03389309      -1.14472116       0.15418186       0.25785032 
O       8.66219682       9.83484297      -0.74915132       0.55947731      -0.21639260      -0.87362824 
O       8.60135396       8.82751902      -6.06174484       0.59356406       0.49877205      -0.93345800 
O       0.97101338      -0.08251607      -1.73037513       0.70192445       1.03230204      -0.40893959 
O       0.87956673      -0.87884100      -7.09609384       0.43727893      -0.23589862       0.73696177 
O       6.12583604      -0.01089761      -1.82870764      -0.28328250       0.03823922      -0.07860893 
O       6.12138598      -0.93847031      -7.20507174       0.63508311       0.73002901       1.02824144 
O       0.81294198       5.16357609      -1.71653063      -0.12922857       0.13429133      -0.72026392 
O       0.92239200       4.34192036      -7.00299229      -1.05954695      -1.15480227      -0.71380655 
O       6.03072837       5.36343564      -1.85425389       0.47781977      -0.80797939       0.91549292 
O       6.13732864       4.29041451      -7.12024046      -0.31363826      -0.11691288       0.52673528 
O       1.75391058      -0.52816187      -4.36140811      -0.35816319       0.78971336      -1.04543183 
O       1.72633193      -1.32746607      -9.68170034       0.12837984       0.22595609       0.00331682 
O       6.92761698      -0.39794611      -4.46592096      -1.08466326       0.57604227       0.26760394 
O       6.91329915      -1.31377740      -9.76535430      -0.50571556       0.66691999       0.30497667 
O       1.50257526       5.57663441      -4.68107364       0.78081196       0.10566580      -0.17781607 
O       1.73274461       3.67280652      -9.69376993      -1.21514798       2.37031432       0.24884979 
O       6.96730676       4.73972977      -4.49082246      -0.56035382       0.56001992       0.67832897 
O       6.99140882       3.86325852      -9.59965990      -0.70569763       0.66901151      -0.62448405 
O       4.38304298       4.20040370      -3.37845486       0.40068276       0.85809482      -0.91159997 
O       4.45536328       3.21942912      -8.72172741      -0.17930312       0.14929769      -0.33034851 
O       9.51611647       4.20430789      -3.32079814      -1.00121192      -0.84942785      -0.75024028 
O       9.44616661       3.40105789      -8.63102682       0.75552954      -0.60854972       0.37013323 
O       4.18253595       9.29448431      -3.37327408       1.15139351       0.85717829       0.28579572 
O       4.40025086       8.44529629      -8.65761158      -1.12564310       0.19626168      -1.26881131 
O       9.64154644       9.22878100      -3.42355718      -0.55023481       1.10559377      -0.86702824 
O       9.52750423       8.44020971      -8.68552644      -0.37326341       0.16644121      -0.31111034 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011227892934187047 -0.0007842335880376368 0.003907778536222665 -0.0007842335880376368 -0.01106582392966597 -0.004563326318136723 0.003907778536222665 -0.004563326318136723 -0.016676177927661347" pbc="T T T" energy=-946.03140913 free_energy=-946.06688238 config_type=crystal 
Hf       2.76024317       2.17420864      -9.41656708       0.28589165      -0.64518483       0.15115218 
Hf       7.98790523       2.86194654      -4.10444934       0.03452312       0.54824705      -1.44534062 
Hf       8.13766564       2.12680898      -9.37004928      -1.52731174      -0.14861404      -0.46524136 
Hf       2.85618840       8.07128303      -4.16636625      -0.35631541      -0.28712827       0.18589348 
Hf       2.82681732       7.27198274      -9.40176577      -0.13294474       1.02070064      -0.21114258 
Hf       8.05054250       8.24628850      -4.14589589      -0.72123694       0.15095890       1.47216060 
Hf       7.99416309       7.21368025      -9.45696756      -0.14115538       0.55918366      -0.13237236 
Hf       0.28900657       0.85221522      -3.67800200       0.73470304      -0.00646169      -0.69648995 
Hf       0.25479092      -0.13418749      -8.97552036      -0.71174615       0.52811052       0.83398788 
Hf       5.22629064       0.82151245      -3.68905691       0.58383640       0.23799874      -0.45643453 
Hf       5.37742226      -0.04156304      -9.08660143       0.96158555      -0.15880029       1.06079794 
Hf      10.30495338       5.93679336      -3.47865375       0.15152057      -0.92573908       0.51603719 
Hf       0.15778131       5.10377641      -8.93698016       0.52913559      -0.67784292       0.33349965 
Hf       5.51030188       5.95923000      -3.76468307      -0.61033538      -0.49183167       0.72666082 
Hf       5.43086204       5.03072309      -9.06652053       0.10303502       0.42321749       1.33081032 
Hf       2.42234070       1.33166582      -1.07016303      -0.68501521       0.43708887      -0.87984238 
Hf       2.35987882       0.26149825      -6.26563586       0.66076585       1.19894312      -0.45412821 
Hf       7.55370519       1.31412858      -1.11545257      -0.28520993      -1.23937206       0.23220293 
Hf       7.63977798       0.27450664      -6.32206127      -1.52005780       1.54522646      -0.06319657 
Hf       2.33717841       6.41274817      -1.05667145      -0.34987012      -0.47362857      -0.91393323 
Hf       2.51767269       5.40554929      -6.49365018       1.14433821      -0.78408885      -0.03957518 
Hf       7.55330599       6.35210100      -1.03217537       0.37903717       0.53573924      -0.72631741 
Hf       7.50410504       5.37646915      -6.29258015       0.74977473       0.06062403      -0.42791231 
Hf       4.91076814       3.50983308      -1.66369116       0.15894008       0.34519369      -0.06227164 
Hf       4.99634469       2.48872497      -6.77990495      -0.15468981      -0.23314130       0.38849550 
Hf      10.20285948       3.35336685      -1.52302952       0.50374171       0.65947822      -0.48007050 
Hf      10.19954259       2.54242228      -6.70243468       0.25415213       0.30785529       0.53464461 
Hf       4.90761593       8.64947341      -1.51333748       0.29194486      -0.44256309      -0.37997302 
Hf       5.02621180       7.66421850      -6.84680995       0.52336662       0.85799419       0.38326251 
Hf      10.27399092       8.74537340      -1.54212736      -0.98674977      -0.71762735       0.25526955 
Hf      10.06258790       7.74297186      -6.80476613      -0.01658865      -0.84217344      -0.68365084 
O       1.27982573       2.34413939      -2.51416347      -0.32442808      -0.38195908      -0.70596077 
O       1.39606373       1.43570616      -7.98757975      -0.48417574      -0.23794239       0.39285050 
O       6.53228464       2.41321382      -2.75041319      -0.75891205      -0.83866346       0.81682322 
O       6.54802958       1.45594150      -8.02577888       0.55801591      -0.25545124      -0.17051057 
O       1.36951673       7.47319124      -2.78228624      -0.78589855       0.39847915       0.96980966 
O       1.33940971       6.53865543      -7.92650761       0.84867986       0.80459055      -1.14512015 
O       6.61251995       7.54234683      -2.73388275      -0.47653841      -0.03085029      -0.26362264 
O       6.53113122       6.57136390      -8.07207848       0.21851630       0.12643258       0.41984559 
O       4.02471422       1.23824300      -5.28361348       0.25707806      -0.24294724       0.26936914 
O       3.94257001       0.61605658     -10.49590300       0.05798279       0.26515806       1.43350064 
O       9.09557655       1.42254040      -5.10044674       0.18045897      -0.32448930      -0.75079256 
O       9.16668274       0.54694337     -10.40335116      -0.36723022      -0.09695834       0.07509181 
O       4.00929409       6.43770262      -5.10653687      -0.36025521       1.36224109      -1.23062352 
O       3.97450219       5.77330625     -10.41571875      -1.25454957      -0.37199620       0.03962599 
O       9.18065145       6.65930403      -5.07919534      -0.24952406      -0.06892646      -0.25588793 
O       9.16510092       5.64873665     -10.36404999      -0.75475302       0.51211428      -0.13528084 
O       3.97763902       1.80837657      -2.37782114       0.22452117      -0.34673922      -0.72805956 
O       3.92044148       0.93506113      -7.77469089      -0.08617875       0.29381089      -1.10104847 
O       9.05100447       1.76521649      -2.59975059      -0.35216924       0.67243551       1.56271523 
O       9.14065827       0.95884591      -7.71704215      -0.47010782       0.26772275      -0.04912500 
O       3.82460400       6.98820156      -2.45241341       0.51500554       0.33189118      -0.40294588 
O       4.01036034       6.18509555      -7.89064286      -1.88660410      -0.37756270       0.63632276 
O       9.09354816       7.07830409      -2.39587994      -0.86508178       0.48933059      -0.18721103 
O       9.04562500       6.17205100      -7.77781744      -0.24914310      -0.54161978       0.45279098 
O       1.21423668       2.86248781      -0.05042969       0.44536007       0.03535109       0.40168862 
O       1.17339492       1.70178137      -5.34496840      -0.33405792       0.84563892      -0.98585956 
O       6.51736418       2.94155149      -0.13638832      -0.38156899      -0.75554020      -0.23065205 
O       6.50819038       2.04651670      -5.43130274      -0.03790256      -1.23130928       0.19939008 
O       1.19844561       6.29222772     -10.47467785       1.00200442      -0.74933489      -0.92582219 
O       1.33098141       7.08374109      -5.52109419       1.29252105      -0.70438159       1.32250290 
O       6.43028062       7.98810589      -0.14039125       0.28207017      -0.46716505      -0.14030762 
O       6.54355946       7.05507109      -5.37317171      -0.17980705      -0.10837106      -0.15576004 
O       3.37020554       4.67385421      -0.89752438       0.23905854       0.28262848       0.57094075 
O       3.67261913       3.80335447      -6.11602289      -1.06053334       0.64253340      -0.08932034 
O       8.73023113       4.69705808      -0.83313584      -0.43081811      -0.35263595       0.40956598 
O       8.70797750       3.80275269      -5.90176255       0.63030370      -0.33423926      -1.56620821 
O       3.42804790       9.90019967      -0.81685027       0.74337030      -1.54150707       0.79735578 
O       3.53188757       8.84264796      -6.08442054       0.10641263      -0.68917076       0.37694106 
O       8.80428442       9.89163532      -0.76962116      -0.17790081      -0.12051824      -0.02590366 
O       8.78339494       8.98406452      -5.93572921      -0.38302528       0.10703794      -0.26975764 
O       1.05288828      -0.01435907      -1.91378769       0.16656000       0.00999108       0.25973154 
O       0.90469099      -1.00253436      -7.05824773       0.18257770       0.44633218      -0.82804887 
O       6.07744148      -0.05306702      -1.73695154       0.42582902       1.46380012      -0.68908521 
O       6.20668708      -1.02142530      -7.10626491       0.57658467       1.31511587      -0.00333004 
O       0.80080778       5.18257282      -1.79077596       0.44523381      -0.11104505       0.16122027 
O       0.93567339       4.30491141      -7.00319432      -0.39484961      -1.14050402       0.03002118 
O       6.10378732       5.21913227      -1.90657442       0.31923938      -0.23446888       1.15167975 
O       6.05338743       4.29526541      -7.07172051       0.12307825      -0.13857308      -0.59731025 
O       1.65830189      -0.53640776      -4.52166972       0.22124674      -0.77787481       0.70837632 
O       1.65598641      -1.26252875      -9.72446996       0.84635538      -1.12740083       0.10220976 
O       6.99221063      -0.25693367      -4.27703864      -0.51157334      -0.47981802      -1.18398465 
O       6.91855685      -1.33437184      -9.81740843      -0.86153382       0.83650444       0.48869475 
O       1.53773675       5.74750582      -4.70328154      -0.03117011       0.57407650      -0.80216129 
O       1.59771462       3.78775569      -9.69039252       0.12745036       1.11939290      -0.30085415 
O       6.82968782       4.56497328      -4.45389159      -0.00590170       1.51082591      -0.16238829 
O       7.00436489       3.93733545      -9.61468803       0.31744080      -1.17484367      -0.48328593 
O       4.29922717       4.32448424      -3.43609698       0.19953748      -0.04646530       0.25897381 
O       4.18897139       3.44425424      -8.71864308       0.30877081      -0.71340636       0.03499834 
O       9.57976502       4.06522381      -3.59148317       0.41592929       0.70336561       1.55826757 
O       9.50577386       3.33392040      -8.61618404       0.33727871       0.15874221       0.45225834 
O       4.14631642       9.34236834      -3.37436666       1.24189344       0.75765417      -0.03240707 
O       4.32890996       8.54135011      -8.71654023      -0.56709844      -0.53307699      -0.17283708 
O       9.50190181       9.42185464      -3.38014839       0.36316231      -0.36463182       0.07270911 
O       9.32036653       8.52361316      -8.63824430       1.05860559       0.29843683       0.57508078 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015330698089787032 -0.004586538278364572 0.002270315034420954 -0.004586538278364572 -0.023877015837928273 -0.001456661699903392 0.002270315034420954 -0.001456661699903392 -0.014901141603276604" pbc="T T T" energy=-946.6920334 free_energy=-946.72922781 config_type=crystal 
Hf       2.78037530       2.03499551      -9.38524037       0.41412577       0.64860833       0.81992952 
Hf       7.95055658       3.03697877      -4.20564516       0.27508073      -0.07062097       0.93139036 
Hf       7.97065349       2.12537799      -9.42909869       0.92764874      -0.66944334       0.38407073 
Hf       2.93500866       8.20904588      -4.15965512      -1.22116788      -0.27850955       0.83916612 
Hf       2.81808459       7.33022868      -9.43410989      -0.03834001      -0.79807754      -0.49378475 
Hf       7.99359745       8.17465881      -4.07845441       0.04719289      -0.05073027      -1.00032252 
Hf       7.98921399       7.17430619      -9.45618894      -0.35117591      -0.09656947       0.73497729 
Hf       0.23931187       0.86712466      -3.75548319       0.33989062      -0.12735676       0.01612055 
Hf       0.18354654      -0.13949422      -8.99828710       0.80714492       0.16480670       0.80211588 
Hf       5.33055746       0.90369341      -3.82567929       0.38687553      -0.74005289       1.58858570 
Hf       5.49295091      -0.04477885      -8.99606444      -0.94267530      -0.54484445       0.20732804 
Hf       0.02898934       5.89565936      -3.48231677      -0.38410605       0.69850845       0.47679428 
Hf       0.25427577       5.01739364      -8.89625827      -0.31406868      -0.17152404      -1.16692472 
Hf       5.37124929       5.99335541      -3.67031358       0.98460367      -0.20703102      -0.43381291 
Hf       5.41553480       4.98777769      -8.91267803       0.09071185       0.85245591      -0.35520723 
Hf       2.38098691       1.31960112      -1.08788287       0.49785931      -0.67493960      -0.56823848 
Hf       2.44851167       0.40221852      -6.32023617      -1.49615285       0.00026430       0.53511289 
Hf       7.57845830       1.18122323      -1.10074829      -0.70266803       0.29854759      -0.56589075 
Hf       7.51123995       0.28593316      -6.33034939       0.57927552       0.96693631       0.03776970 
Hf       2.41329459       6.32492918      -1.01049198      -0.35294388       0.52848060      -0.30713246 
Hf       2.56923069       5.37557598      -6.50218117       0.61719941       0.14416444      -1.41796059 
Hf       7.51894041       6.36332629      -1.02988278       0.87389829      -0.05210986      -0.22153872 
Hf       7.60990879       5.51770229      -6.31080633      -0.23934932       0.18934338      -0.06311649 
Hf       4.96321024       3.47432229      -1.66247971      -0.50647033      -0.69815013       0.30354991 
Hf       4.92075061       2.55550507      -6.70159242       0.18586267       0.65447662      -0.82208641 
Hf      10.16285653       3.43624153      -1.52833159       0.64505844      -1.08368310       0.84530303 
Hf      10.13939390       2.48926180      -6.76825318       0.17656562       0.06263150      -0.49328300 
Hf       4.99685277       8.61530744      -1.52917321      -0.92288424      -0.14768796       0.63693584 
Hf       4.96835095       7.69058533      -6.80142380       1.10344687       0.77949794       0.12159698 
Hf      10.23080605       8.67886953      -1.52353576      -0.19102505      -1.74090979      -0.08360559 
Hf      10.09896193       7.75762353      -6.84610620       0.23339682      -0.55500943      -0.26889555 
O       1.19556189       2.27282113      -2.53363260       0.48693840      -0.43052458      -0.28630655 
O       1.33451858       1.47744337      -7.93573542      -0.52605814      -0.85076869      -0.11724715 
O       6.54007196       2.39605829      -2.75115064      -0.00626297      -0.31696296      -0.38093443 
O       6.51026657       1.56306943      -7.97787668      -0.17005768      -0.55481510      -0.44655678 
O       1.34448370       7.31797258      -2.67117829       0.23536578       1.39642981      -0.12745288 
O       1.37510525       6.57034938      -8.06467095       0.04834372       0.14605414       0.65929398 
O       6.67838113       7.46365760      -2.61859105      -1.54585706       0.56515595      -0.31832950 
O       6.52991316       6.58186304      -7.96834887       0.68912406       0.63240947       0.34710886 
O       4.04135543       1.25451917      -5.28982132      -0.63765916       0.09756261       0.00230403 
O       3.93215654       0.50973268     -10.34508625       0.34657667      -0.18979640       0.11284297 
O       9.02065868       1.49193156      -5.07393759       0.65673971      -0.57137898      -0.63246190 
O       9.20881611       0.51547899     -10.35842031      -0.99822530       0.25788170      -0.83168446 
O       3.90069670       6.58405246      -5.17890427       1.16470602      -0.14554978       0.22915894 
O       3.88188185       5.65792528     -10.37118797       0.45317275       0.03014279       0.06706486 
O       9.12222849       6.61056708      -5.10886642       0.77729667       0.01353780      -0.09758195 
O       9.06755922       5.63540688     -10.36038350       0.74758663      -0.09809489      -0.22603237 
O       4.06012290       1.66159225      -2.36144674      -0.74730190       0.78090234       0.07806229 
O       3.83703557       1.04334298      -7.74849035       0.44418584      -0.08303922      -0.82257724 
O       8.98610689       1.87149963      -2.48524517       0.15212728      -0.11980492      -0.22229077 
O       8.96414576       0.89224400      -7.76971571       0.76979088       0.20585160       0.24844358 
O       3.88824851       7.04705696      -2.48220200       0.40605654      -0.25590193      -0.34173709 
O       3.97919019       6.19216646      -7.83173448      -0.86815760      -0.25494445       0.46016365 
O       9.05546928       6.95640307      -2.48771459      -0.25290054       0.82965507       0.49898249 
O       9.08112967       6.07836730      -7.79224818      -0.22288031       0.26153537       0.66839237 
O       1.30976952       1.04972992     -10.47549081      -0.64277272      -0.36626852      -0.82217272 
O       1.13989713       1.90490395      -5.42943784       0.33175400      -1.31114696       0.71567854 
O       6.54351260       2.78198952      -0.12418874      -0.62499813       0.01379457      -0.04303040 
O       6.43720108       1.97345551      -5.39714833       0.50874405       0.34976003       0.60662897 
O       1.32647337       8.00819435      -0.09431436      -1.13894212      -0.91802492      -0.42199007 
O       1.42266247       7.26990027      -5.47575728      -0.51283536      -0.23802730      -0.13276608 
O       6.39787610       7.87619104      -0.01309318      -0.06385862       0.52853342      -0.72354389 
O       6.53868621       7.15468379      -5.30155856      -1.35686260      -0.40302057      -0.57530756 
O       3.47038596       4.56853915      -0.66850105       0.61636123       0.76240848      -1.67789329 
O       3.50738435       3.80127825      -6.02790114       0.69731234      -0.63399731      -0.06334598 
O       8.65272451       4.69360033      -0.92243828       0.08613832      -0.70078326       0.94987120 
O       8.66399362       3.79237998      -6.19486853       0.12469765      -0.12089724       1.28965290 
O       3.41845734       9.75320912      -0.84701257       0.56312318       0.17205934      -0.00757447 
O       3.60193250       8.90777234      -5.96625221      -0.52949231       0.76674543      -0.67154320 
O       8.62550256       9.75357923      -0.84081156       0.38871344      -0.30950263      -0.12767633 
O       8.67256333       8.89753805      -6.06751124      -0.28774736       0.33994832      -0.05023446 
O       0.88879311      -0.02652340      -1.81157920       0.62238857       0.77808295      -0.65273977 
O       0.93176342      -0.96780157      -7.15229097       0.27305627       0.44249780       0.10716648 
O       6.10093809      -0.08109297      -1.88697424       1.24692033       1.44590477       0.46572162 
O       6.04469137      -0.79478774      -7.07581605      -0.25919904      -0.74013596      -0.53479656 
O       0.98637336       5.02528706      -1.84708356       0.16672563       0.29851547       0.21175958 
O       1.09420882       4.20226174      -7.18339266      -1.35254971      -0.68177796       0.54031104 
O       6.09199236       5.11902540      -1.79283429       0.08890106       0.98289780       0.33992494 
O       6.13361889       4.28952896      -7.02517236      -0.58013784      -0.18562698       0.16307979 
O       1.65378647      -0.49431539      -4.53019651       0.14721206       0.53099293       0.51024517 
O       1.62890847      -1.35637829      -9.81777942      -0.21978903       0.46309625       0.49629378 
O       6.84196001      -0.38394459      -4.47983276       0.44472465      -0.45779352       0.36859037 
O       6.91561567      -1.35606489      -9.69540539      -0.40559899       0.35000825      -0.04903444 
O       1.43910958       5.87022945      -4.93841273      -0.57711947       0.14837345       0.35549492 
O       1.62712176       3.74838736      -9.72502964       0.02785505       0.44513236      -0.26687612 
O       7.02730760       4.83127760      -4.31431981       0.10667666       0.10318264      -0.89549909 
O       6.88993460       3.77735390      -9.65236717       0.01321007       0.23894903      -0.34948002 
O       4.48966029       4.29575178      -3.47617698      -0.80787357      -0.96756726       0.51821840 
O       4.24955190       3.42947318      -8.70398541      -0.64106593      -1.37571050       0.95433547 
O       9.71048003       4.08024388      -3.43993725      -1.36437302      -0.73996612      -1.16010197 
O       9.50348561       3.23215418      -8.64236221       0.14682223       0.57870856      -0.59943238 
O       4.34577548       9.36844146      -3.42137862       0.14436753      -0.04609309      -0.07670943 
O       4.24605567       8.54465521      -8.66315483       0.60116358       0.33576571       0.27890592 
O       9.53581906       9.30491872      -3.50073175       0.50291443       0.64700967       0.73400971 
O       9.47885230       8.35927989      -8.79155483       0.62192374       0.76635974       0.79603508 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007313474125061956 -0.0013209970939054164 0.000498646878020903 -0.0013209970939054164 -0.015906722042464096 -0.004135039011299497 0.000498646878020903 -0.004135039011299497 -0.010243564065867563" pbc="T T T" energy=-946.5390536 free_energy=-946.57726222 config_type=crystal 
Hf       2.87277173       2.02560399      -9.40959280      -1.80987148      -0.19225121      -0.05107825 
Hf       7.98282458       2.94708881      -4.20544282       1.53221070      -0.35955427       0.73958117 
Hf       7.98964061       2.18270916      -9.40961076      -0.27200102      -0.36017095       0.00652630 
Hf       2.89388782       8.21067309      -4.15144870      -0.42752255      -0.86502434       0.48680359 
Hf       2.80916026       7.32937968      -9.52692918      -0.67938056      -0.28280524       1.00037287 
Hf       7.99336512       8.25884651      -4.20765203       0.87001872       0.28567895       0.78405607 
Hf       8.05602359       7.25439079      -9.31813806      -1.79569524       0.36399025      -1.06081561 
Hf       0.28526617       0.86714405      -3.67103486       0.85046742      -0.33603945      -0.66399039 
Hf       0.15325872      -0.17939746      -8.92405625       0.65096496       1.39679645      -0.23525200 
Hf       5.37984881       0.87426231      -3.68640572      -1.18469932      -0.48388388      -0.68787815 
Hf       5.41632664      -0.08535157      -9.00143570      -0.08737548      -0.42158423      -0.08284005 
Hf       0.00521250       5.99291560      -3.44048958      -0.81432488       0.24907865       1.24986914 
Hf       0.19456077       4.99621184      -9.01586350       0.84824873      -0.47130596       0.93755922 
Hf       5.48005583       5.92633704      -3.72577630      -0.76116521      -0.37416643       0.11316093 
Hf       5.30174289       5.04763474      -9.02011844       1.28887690       0.44126009       0.26052246 
Hf       2.37840367       1.26545741      -1.09473282      -0.65689413       0.32591186      -1.26509534 
Hf       2.38770881       0.34861352      -6.29995250      -0.05002926       0.48918117       0.15680354 
Hf       7.49022454       1.24336079      -1.12912622       0.72064543      -0.39101126       1.05677868 
Hf       7.58043578       0.38306219      -6.31397015       0.30347170      -0.36089268      -0.97989966 
Hf       2.39264170       6.32717190      -1.01333018      -0.90982601       0.12703635      -1.11615120 
Hf       2.61068007       5.39943771      -6.51483920      -0.78191191      -1.02320960       0.11250480 
Hf       7.53302798       6.42920178      -1.05096344       0.12206031       0.48176816       0.66174741 
Hf       7.59544238       5.44789877      -6.29836975       0.00485078      -0.85495290      -0.68130392 
Hf       4.89029728       3.47546801      -1.68192375       0.77277455      -0.48410318      -0.42222382 
Hf       4.91469671       2.58341420      -6.73828147      -0.32695397      -0.17807787       0.05571692 
Hf      10.12186672       3.35282723      -1.49264829       1.09227522       1.00967463       0.47053130 
Hf      10.22540455       2.51308045      -6.78638601       0.88151830      -0.43867299       0.84003612 
Hf       4.94684470       8.55882154      -1.56843111       0.40251629       0.27569289      -0.09506799 
Hf       5.05969057       7.71827867      -6.77549554      -0.72670617       0.10000550      -1.02992756 
Hf      10.19297769       8.69870000      -1.51322166      -0.42820912      -0.62872145       0.30598295 
Hf      10.17266289       7.61909809      -6.78197283       0.08203376       0.92847773      -0.52602452 
O       1.33754132       2.28431922      -2.58043969      -1.21384897       0.38238385       0.60286878 
O       1.30798935       1.37772027      -7.95353528       0.47959765       0.03646783      -0.10451986 
O       6.52515493       2.35928854      -2.77444073       0.37075972       0.01726998       0.29968250 
O       6.41053771       1.51603292      -8.04825916       1.00170388       0.17274663       0.42995652 
O       1.40343471       7.52090345      -2.65292607      -0.81264067      -0.19291238      -0.42130185 
O       1.32694748       6.59572699      -8.07295255      -0.03221505      -0.28319442       0.04705067 
O       6.57563898       7.55021268      -2.79947644      -0.98597957      -0.18300478       0.33579641 
O       6.50575469       6.65513291      -8.04689461       0.34632323       0.12224615       0.67926047 
O       4.04713004       1.16114487      -5.26226401       0.54487438       0.32155278      -0.45249572 
O       3.85905157       0.42665669     -10.46671673       0.40850701       0.67572125       1.08962993 
O       9.16547476       1.35123526      -5.11068155      -0.86444658       0.43922225      -0.32295167 
O       9.01359993       0.53294043     -10.34599087       0.37315246       0.47726715      -0.53636571 
O       3.98000343       6.57337870      -5.23931025       1.04776535      -0.02154197       0.53597844 
O       3.81636346       5.66604066     -10.40182196       0.70025320       0.09731773      -0.23803835 
O       9.18774013       6.65021775      -5.07140327       0.13778867      -0.20809486      -0.24991357 
O       9.04116631       5.67904575     -10.27329354       0.58840449       0.33843704      -0.36119886 
O       3.94453585       1.74094350      -2.43197612       0.43765130       0.10877143      -0.11010287 
O       3.89116963       0.97154785      -7.86577265      -0.58169523       0.12955327       0.81094612 
O       9.01697085       1.89692957      -2.48674770      -0.12766138      -0.05035220      -0.29897483 
O       8.99206947       1.01843346      -7.80727998      -0.04657756      -0.59753365       0.71816492 
O       3.87260914       6.94756990      -2.51389738       0.53849661       0.17221105      -0.18604601 
O       3.90070886       6.16552647      -7.85041355       0.03537256       0.18507454      -0.07540753 
O       8.91920191       7.21599255      -2.45071368       1.46056120      -0.98847024      -0.36792411 
O       9.07344605       6.10338136      -7.70409671      -0.25873740      -0.20476018       0.12517522 
O       1.15326913       1.06065578     -10.47997760       0.32692195      -0.50427769      -0.70768237 
O       1.23297308       1.74078882      -5.34439780      -0.69710871       0.36405936      -0.51682028 
O       6.40309909       2.74514861      -0.20067815      -0.52422956       0.82975462       0.30338533 
O       6.48679635       1.94010400      -5.33480110      -0.13179856       0.55550841      -0.81684688 
O       1.25727983       7.89253077      -0.08311350      -0.69125886      -0.21255089      -0.20652153 
O       1.41765081       7.06014327      -5.48882736       0.46230650       0.64107572       0.35635314 
O       6.39192371       7.99711450      -0.08844496      -0.28360118      -0.16388149      -0.65853203 
O       6.56040088       7.02052209      -5.37589630      -0.31171725       0.15316370      -0.04635349 
O       3.52933717       4.61810776      -0.79176270      -0.62300933       0.40844442       0.28242406 
O       3.38389881       3.65372985      -6.01720693       0.76483618       0.45055885      -0.66085547 
O       8.83681238       4.87581096      -0.71651004      -0.68817172      -1.29314508       0.17910138 
O       8.84263427       3.73197547      -5.97612706      -1.40972346       1.09562189      -0.08011961 
O       3.39846881       9.75711193      -0.95452806       0.66028695      -0.44028778       0.97158961 
O       3.41637128       8.86451454      -6.09281838       1.04662875      -0.43389786       0.15501526 
O       8.76751130       9.92692077      -0.73653497      -0.12929553      -0.62015682       0.45703975 
O       8.80752474       8.94934046      -6.10966962      -1.11497522       0.32135326       0.87090967 
O       0.98124751      -0.11215122      -1.90034064       0.62603898       1.34663890       0.19658618 
O       0.96719381      -0.99081146      -7.10336266      -0.31200687      -0.19765235      -0.10169307 
O       6.17416463      -0.06575875      -1.84961347      -0.59994920       0.01665823      -0.10693147 
O       6.15840754      -0.89605485      -7.08305516      -0.15599733       0.38352108       0.23430259 
O       0.82613641       5.16389558      -1.77325174       0.64624444      -0.13733466      -0.01485643 
O       1.02045228       4.21647798      -7.08475163      -0.56183451       0.24981320      -0.27432968 
O       6.11651751       5.22972365      -1.72627160      -0.55003335      -0.47597192      -0.83141653 
O       6.01520787       4.44327592      -7.14864937       0.17042328      -1.38968284       1.64649000 
O       1.73827360      -0.47192736      -4.36860195      -0.25981649      -0.01918142      -0.58652469 
O       1.54181806      -1.39100142      -9.86612296       0.14571056       0.00097994       0.69841670 
O       6.90064990      -0.35558147      -4.47167843       0.14024518      -0.44197377      -0.10548180 
O       6.88223892      -1.30459555      -9.59829325       0.47359052      -0.30780954      -1.07986479 
O       1.58102033       5.81790754      -4.70866844      -0.01155377      -0.96401519      -0.15068123 
O       1.66242704       3.71165101      -9.66503802      -0.05109757       0.56551620      -0.42398267 
O       6.97421205       4.63140381      -4.42597915      -0.18896541       1.61140112      -0.63771551 
O       6.85682800       3.92281903      -9.61059206       0.64382240      -0.99412275      -0.73216811 
O       4.58380332       4.17104953      -3.57110710      -0.35626421       0.28226604       0.86150578 
O       4.19661708       3.33708153      -8.67231754       0.62297450       0.50307775       0.47552773 
O       9.54782889       4.21312513      -3.43390120      -0.31813566      -0.56026726       0.37931870 
O       9.42054310       3.27041970      -8.53565768       0.57729763       1.49189225      -0.96915808 
O       4.32531834       9.35512944      -3.41980942       0.47586504      -0.16432419      -0.09822059 
O       4.26619954       8.47771508      -8.67731340       0.03238939       0.17856310      -0.17178126 
O       9.49811331       9.44419295      -3.35828470      -0.53619566      -0.46857567      -0.64592475 
O       9.42388338       8.48475038      -8.60531016       0.31309918      -0.56701402       0.38844096 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01519414021148598 -0.0013744580412741471 0.0006657195318874547 -0.0013744580412741471 -0.01776364274107875 -0.0010039111787793229 0.0006657195318874547 -0.0010039111787793229 -0.021930887327799912" pbc="T T T" energy=-946.57882673 free_energy=-946.61135974 config_type=crystal 
Hf       2.78764414       2.12143992      -9.45262935       0.36624779      -0.18639768       0.62169535 
Hf       7.91664578       2.95653844      -4.14375755       1.59548130      -0.47084544      -0.31045291 
Hf       8.01293940       2.14467752      -9.39648723       0.70505803      -0.52955913      -0.27101499 
Hf       2.80169151       8.17310455      -4.08577500       0.98584094      -1.01590338      -0.98015244 
Hf       2.90515609       7.33248195      -9.47957742      -0.66470394      -0.41546234      -0.19542482 
Hf       7.98233406       8.25708141      -4.13355014       0.00602495      -0.06546478      -0.52261389 
Hf       7.97931858       7.31559447      -9.37675254      -0.08100676      -0.51320044      -0.96538830 
Hf       0.36552164       0.78472409      -3.64354108      -0.60446761       1.19182050      -1.15290069 
Hf       0.19183196      -0.16062437      -8.85735087       0.37896206       1.14938490      -0.76645523 
Hf       5.24994893       0.80100059      -3.70975325       0.87181794       0.34398643       0.05527564 
Hf       5.43857705      -0.04525679      -8.99412015       0.40411029       0.21613144      -0.57541902 
Hf      10.27342091       5.93662703      -3.55704009       0.43365521       0.18247043       0.82643073 
Hf       0.28608919       5.00664678      -8.90770653      -0.69858183       0.02555504      -0.94892796 
Hf       5.40258330       5.92258659      -3.71993378       0.05541130       0.35409981      -0.26688728 
Hf       5.42649604       5.02955837      -9.00425122       0.14137611      -0.12390388      -0.34619286 
Hf       2.42434509       1.30098595      -1.04436435       0.04907060       0.74383041      -0.31295332 
Hf       2.43678134       0.32372639      -6.36471423      -0.79515931       0.70618793       0.65181409 
Hf       7.51980415       1.28955716      -1.18009386       0.70505535      -0.78884761       1.05779305 
Hf       7.56452502       0.40833326      -6.33299511       0.79305974      -0.60739235       0.35130754 
Hf       2.28913286       6.37055939      -1.15773507       0.71583757       0.05908906       0.26511065 
Hf       2.53166946       5.33518908      -6.52030791       1.19936794      -0.21638208       0.88880994 
Hf       7.63235629       6.39595096      -1.03809088      -0.30554906      -0.10579743      -0.12300134 
Hf       7.48986930       5.39810205      -6.33229304       0.85849637       0.91011722       0.38188868 
Hf       4.99405757       3.56912814      -1.63114659      -0.85465290      -1.14641085       1.41517099 
Hf       4.99184029       2.50127936      -6.74272878      -0.26032576      -0.26525745      -0.35400710 
Hf      10.18855475       3.36498298      -1.53966980       0.63832793      -0.22437772       1.03275920 
Hf      10.18726199       2.54152999      -6.72180752      -0.42590294      -0.53328810       0.48547998 
Hf       4.98104061       8.54754544      -1.57207870       0.62803390       0.23140312       0.36276015 
Hf       5.01074813       7.73475370      -6.84760589       0.54546853       0.13098234       1.22740201 
Hf      10.23478959       8.67540108      -1.50557314      -0.31871971       0.02844388       0.66654293 
Hf      10.07193293       7.68927403      -6.81358977       0.21884136      -0.34125811       0.57280627 
O       1.37281274       2.30912459      -2.56455052      -0.57848450      -0.02953670       0.09156806 
O       1.32070021       1.42805523      -7.91718708       0.41951355      -0.14472647      -0.61920298 
O       6.54386379       2.45557591      -2.73995293      -0.20937848      -0.95553849      -0.10900833 
O       6.50436717       1.43859226      -8.00830507       0.57413005       1.13957357      -0.27483892 
O       1.33650572       7.48099851      -2.70349468      -0.12880139       0.31579114      -0.66003505 
O       1.49373593       6.51297179      -7.93123812      -0.50562250       0.47145375      -1.13381974 
O       6.48840362       7.54749795      -2.80764075       0.50933819      -0.16546540       0.37729003 
O       6.45135609       6.70592101      -7.97641469       1.14404745      -0.89154718      -1.07707836 
O       4.06103070       1.12873880      -5.29146267      -0.16809202       0.34413072       0.19717313 
O       3.97269656       0.64945019     -10.35080193      -0.58981909      -0.22885182      -0.01976704 
O       9.09610687       1.44377884      -4.99957444       0.02795754      -0.37914538      -0.91305164 
O       9.20632733       0.35740144     -10.33136807      -1.02000978       1.61219144      -0.69373577 
O       3.98927511       6.57900027      -5.16259224      -0.53515593      -0.10878686      -0.45874777 
O       4.00508104       7.52744890      -0.02566721      -0.29955331      -0.45611166       1.56888391 
O       9.20971934       6.67479125      -5.11836284      -0.93814076      -0.48105060       0.21135794 
O       9.20909489       5.70938127     -10.28835558      -0.14455502       0.28309299      -0.41060588 
O       4.11366190       1.71934345      -2.25784314      -0.72765847       0.10736676      -0.68388699 
O       3.92354933       0.96984447      -7.77370709      -0.73987205      -0.01058210      -0.46078234 
O       9.09534079       1.85353571      -2.52548793      -0.66140972       0.04202574       0.67321218 
O       8.98053510       1.03999997      -7.72491066       0.70300995      -0.33409228       0.08930153 
O       3.94569136       6.93770317      -2.47893768      -1.28630615       0.27653784      -0.48204630 
O       4.03356707       6.01321314      -7.85927950      -1.45301737       1.27659579       0.61965844 
O       9.01623096       7.13448911      -2.44053042      -0.28027967      -0.15100057      -0.23423191 
O       8.97174844       6.15768135      -7.73105067       0.26583116      -0.55683911       0.02155640 
O       1.25971760       2.85909890      -0.01815856       0.18015751       0.06938370      -0.15240122 
O       1.11970006       1.70256304      -5.40225182       0.54458660       0.06832116       0.01384633 
O       6.47090366       2.84364597      -0.19821765       0.74228316       0.04067603       0.85395026 
O       6.51586070       1.93709825      -5.40190793      -0.67133187       0.30964657       0.50876533 
O       1.36893674       8.04282189      -0.14109962      -0.34259657      -0.57461360       0.49650166 
O       1.36402099       6.91049516      -5.34235648       0.51446500      -0.61941240       0.36320746 
O       6.52873365       7.98499119      -0.22350716       0.10063123      -0.03835580       1.14602614 
O       6.46015937       7.06020501      -5.36153643       0.43504651      -0.13749833      -0.28202658 
O       3.40488461       4.70200040      -0.87874440       0.31277831      -0.45421239       0.48560960 
O       3.53337494       3.64273159      -6.16586843      -0.83534245       1.11495043       0.08273897 
O       8.79112522       4.71859762      -0.71264415      -0.54304909      -0.85058018      -0.01613208 
O       8.61352390       3.71440758      -6.04720605       0.50394719       0.39273483      -0.13778971 
O       3.52582421       9.84925589      -0.82944488      -0.11476383      -0.18459395       0.84680817 
O       3.51722084       8.88373390      -6.07723446      -0.15332849      -0.41026134       0.27213264 
O       8.77055472       9.87910856      -0.79520594      -0.57018816      -0.29886158       0.09240034 
O       8.67227998       8.87319598      -6.06865433      -0.64534745       1.06046249       0.42750621 
O       1.03687393      -0.02636949      -1.75268446      -0.24937654      -0.04391636      -0.85454702 
O       0.91285880      -1.03161040      -7.03503388       0.38760824       0.56234808      -0.17707206 
O       6.04033649       0.03535707      -1.83359714       0.87566957       0.13772723       0.08516169 
O       6.25814492      -0.82586329      -7.19448453      -1.26294524      -1.43215086       0.73434025 
O       0.65898846       5.24579466      -1.77492984       1.30459620      -0.24912710       0.19495693 
O       0.88843111       4.25374296      -7.06496832       0.27731930      -0.14205733       0.40925708 
O       6.18513273       5.16917499      -1.78594622       0.60479274       1.13196381       0.03548352 
O       6.13333462       4.25457069      -7.11000449      -0.46293984      -0.13671270      -0.27376600 
O       1.68103170      -0.52529721      -4.51395935       0.37393772      -0.28866428       0.57015908 
O       1.61965550      -1.29683041      -9.69083239       1.25999595      -0.82013159      -0.00962642 
O       6.88988109      -0.37679581      -4.41053741      -0.23731410       0.18748411      -0.15928247 
O       6.91705379      -1.27401316      -9.75892007      -0.19211032      -0.10632893      -0.16770220 
O       1.54755807       5.49922348      -4.65927432       0.27484454       0.65599689      -0.56967435 
O       1.73656980       3.83815000      -9.75883586      -0.51853087       0.68876462       0.58785635 
O       6.89877674       4.67850072      -4.40319498      -0.11518759       1.00408632      -0.72333684 
O       6.98558745       3.89470137      -9.67300901      -0.02215315      -0.36595259       0.23682298 
O       4.40371218       4.23646673      -3.34127617      -0.51416643       0.34760320      -1.40009034 
O       4.35382765       3.31601755      -8.64386526      -0.41135748       0.05725023      -0.97738856 
O       9.45830944       4.16055672      -3.39477193       0.00127495       0.16014879      -0.25783394 
O       9.55542919       3.27023547      -8.65312520       0.10619684       0.53621062      -0.12011710 
O       4.27614419       9.31447114      -3.36024432      -0.33292067       0.31419851      -0.78415528 
O       4.37117653       8.53516215      -8.68033012      -0.98140698      -0.84989730      -0.16897256 
O       9.59135488       9.37101695      -3.44483630      -0.31920623      -0.32192759       0.43432538 
O       9.43260904       8.46981202      -8.60866457       0.04752899      -0.15380655       0.00009603 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014774667188802361 -0.003456750964968269 0.0019294808573953697 -0.003456750964968269 -0.023016823327247495 0.00491233790820773 0.0019294808573953697 0.00491233790820773 -0.016022481433527608" pbc="T T T" energy=-946.14984648 free_energy=-946.18617064 config_type=crystal 
Hf       2.82973751       2.03905373      -9.44756996       0.12835496      -0.06429642       0.78874588 
Hf       8.06326500       3.06239685      -4.17703464      -1.63727279       0.02609045       0.51853952 
Hf       7.98480715       2.12873866      -9.41375786      -0.87828096      -1.00774836      -0.54467193 
Hf       2.86660852       8.25457318      -4.15184982       0.18129962      -0.99608559       1.67972587 
Hf       2.81798827       7.25098200      -9.45071394      -0.35748150       0.12683406      -0.02492880 
Hf       8.00299038       8.25634108      -4.26058349      -1.39215829      -0.87040836       0.99192818 
Hf       8.04842890       7.25033900      -9.37043402      -0.87311641       0.25525029       0.95948182 
Hf       0.13866015       0.77742175      -3.78733567       1.97049261       0.17340364       1.58558552 
Hf       0.19505555      -0.13448936      -8.95944218       0.62341870       0.15170824       0.25288175 
Hf       5.31387293       0.88096829      -3.70793969       0.11235804      -0.05006889      -1.11389028 
Hf       5.38297234      -0.15121473      -8.96779823       0.10756179       0.02206104       0.75602006 
Hf       0.00308093       5.98422751      -3.45489639       0.33855785       0.22185869       0.06077296 
Hf       0.25203406       4.95574695      -9.01970335       0.28976796       0.59973496       0.15645191 
Hf       5.32892234       5.81598209      -3.69526885       1.07247617       1.01001195       0.41674437 
Hf       5.39513844       5.10022283      -8.93155136      -0.08735907      -0.31837441      -0.29499447 
Hf       2.38757706       1.17276889      -1.14840561      -0.08357156       0.55636413      -0.01850499 
Hf       2.39614832       0.46008269      -6.30016755      -0.59756353      -0.63267984      -0.12108380 
Hf       7.55916945       1.30619607      -1.10372804      -0.83361745      -1.24433383       1.10471245 
Hf       7.63569854       0.37308797      -6.37673635      -2.05674698       0.26053398      -0.04571416 
Hf       2.39340165       6.29588956      -1.11491148       0.99828522       1.80273153       0.51217744 
Hf       2.57155354       5.32044595      -6.58296931      -0.51275714       0.12620769       1.13393228 
Hf       7.55061844       6.38970580      -0.99763307      -0.59347005      -0.21029662      -1.80870193 
Hf       7.56916345       5.53923683      -6.33988948       0.09027389      -0.06918158       0.67481884 
Hf       4.97102219       3.39949828      -1.58908146      -0.53923898       0.23871850       0.07553567 
Hf       4.93278133       2.68355373      -6.67050618      -0.02905794      -1.53914992      -0.17109319 
Hf      10.20546454       3.37449774      -1.53814816       0.42643645      -0.35604093       0.88318439 
Hf      10.18709969       2.57117704      -6.79825031       0.01683361      -0.32788888       0.06270746 
Hf       5.05993433       8.57478624      -1.54935166      -0.63721333      -0.72453716      -0.23289665 
Hf       4.94780102       7.72625435      -6.68312788       0.23735924      -0.14663611      -0.57022504 
Hf      10.11804101       8.65494752      -1.49342460       1.46686264      -0.48149689       0.52668277 
Hf      10.22354116       7.72300031      -6.77893154      -0.23896955      -0.06640535      -1.01918616 
O       1.16964268       2.26494635      -2.59897165       0.10096648      -0.65841614      -0.09414629 
O       1.33434693       1.44131976      -7.99631581      -0.07393858       0.35761474       0.15680891 
O       6.50969676       2.40388041      -2.75776307       0.48676670      -0.09749139       0.47073420 
O       6.51430174       1.42382055      -7.96785860       0.52494438       0.36486626       0.02274599 
O       1.34297264       7.59074928      -2.66028394      -0.23615377      -1.18233938      -0.63045017 
O       1.35829719       6.48044637      -8.06913443      -0.11297602       0.45114252       0.51109648 
O       6.58825997       7.44593797      -2.72243501      -0.19585159       0.52229248      -0.05254812 
O       6.55340759       6.55339025      -7.95935974       0.09407892       0.47474073      -0.21222016 
O       3.99212444       1.26880692      -5.37246177       0.93504500       0.21233395       1.59745152 
O       3.89290180       0.46269694     -10.44973413      -0.05517128      -0.11156124       0.83962713 
O       8.98739467       1.33596907      -5.04850570       0.10838904       0.81262330      -0.63239250 
O       9.04900912       0.50630389     -10.42199432       0.58436464       0.09599062       0.71675129 
O       3.91975697       6.52702189      -5.09628052      -0.21731186       0.47866472      -0.43521128 
O       3.90885381       5.67455174     -10.34825501       0.68271653      -0.54454725       0.18752449 
O       9.27669103       6.74383484      -5.12527873      -0.90794874      -0.21574716       0.18927971 
O       9.22117662       5.78478990     -10.34949418      -0.86409489      -1.83504695       0.29664915 
O       3.93172742       1.76212002      -2.44608082       0.05982468      -0.48107470       0.04084854 
O       3.81457415       0.94629586      -7.78394358       0.58494510       0.60689916      -1.17673394 
O       8.98685437       1.89110830      -2.43536277       0.29219230      -0.21043568      -1.25984183 
O       9.12779187       0.97395110      -7.82435529      -0.82794478      -0.16589179       0.99304365 
O       3.87629447       7.00157469      -2.47380300       0.07886747      -0.05807767      -0.36824689 
O       3.91216219       6.17007030      -7.75981996       0.49205092       0.28710871      -0.64885352 
O       9.03069134       6.98623501      -2.45300659      -0.31019310       0.32350580       0.76174034 
O       9.07805467       6.10361607      -7.68323541       0.31395558      -0.13862891      -0.39412494 
O       1.21444417       2.71371374      -0.00320163       0.25375951       0.81985384      -0.97087834 
O       1.05786555       1.75997927      -5.39415702      -0.25111245       0.38063720      -0.41224925 
O       6.34120317       2.75630634      -0.05557088       0.82372682       0.12075135      -0.62434229 
O       6.41847507       2.03181654      -5.27325098       0.36242660       0.10862087      -0.47382802 
O       1.25880346       7.94520682      -0.10147471       0.25293434      -0.86995749      -0.08362604 
O       1.34161006       7.20277647      -5.33813630       0.55367130       2.01826836      -0.99551855 
O       6.47063528       8.02621645      -0.10779176       0.13380777      -0.59612657       0.68170509 
O       6.42707937       7.09738300      -5.35257849       0.59426482      -0.05194491      -0.19358282 
O       3.55823715       4.58642891      -0.75794409      -0.80040447       0.85759951       0.32515504 
O       3.58888416       3.90340620      -5.88842303       0.25622552      -1.21514083       0.17689438 
O       8.53122071       4.54070316      -0.89465845       0.50419047       0.71754701       0.32229617 
O       8.57760133       3.75204935      -6.05596889       1.46262919      -0.79944734      -0.56183801 
O       3.45505259       9.66372013      -0.85339955      -0.10582282       1.01746503      -0.02726617 
O       3.46817241       8.89430126      -5.99000348      -0.00474589       0.39507336      -0.50326525 
O       8.62366722       9.73487211      -0.65765416       0.26193876       1.84046346      -1.90304877 
O       8.77344904       9.00023243      -6.09631592      -0.19316924      -0.16324430       0.21217556 
O       0.96171563      -0.05737725      -1.85966347      -0.91066725      -0.20398343      -0.06021269 
O       1.02945214      -0.91401939      -7.08770261      -0.80707328      -0.59541777      -0.16402224 
O       6.13996830      -0.06041918      -1.80166339       0.50716511       1.54213146      -0.36759781 
O       6.07173658      -0.93998027      -7.03066018       0.73272035       1.03779052      -0.21356116 
O       0.95926643       5.15041417      -1.80388080      -0.98737804      -0.86774982      -0.43383504 
O       1.00110420       4.16003201      -7.12173081      -0.64946503      -0.43586729      -0.35770757 
O       6.03417421       5.22652588      -1.68723368      -0.29233416      -0.49534945      -0.80547433 
O       6.03325103       4.35755343      -6.88234918       0.40880170       0.35578580      -0.83967630 
O       1.70679776      -0.41214680      -4.39591734      -0.35530577       0.04054009      -0.25699427 
O       1.65294008      -1.35502384      -9.71895463       0.62060924      -0.56414862      -0.32935880 
O       6.88587781      -0.33810068      -4.53322141       0.25081965      -0.57808013       0.32169328 
O       6.96072222      -1.28234490      -9.60905751      -0.23741865      -0.04183373      -0.17130240 
O       1.33414588       5.83167206      -5.01625704       0.03695254      -1.88433415       0.80641873 
O       1.69098508       3.71936265      -9.75412109      -0.22227674       0.50490615       0.02497947 
O       7.18716966       4.93262838      -4.34442467      -0.99199204      -0.63298290       0.60627755 
O       6.79993355       3.83319486      -9.75224128       0.60243237      -0.32520879       1.45306408 
O       4.26828975       4.21835128      -3.33732155       0.59943213       0.14254206      -0.00924832 
O       4.23239617       3.47205359      -8.53813445      -0.61423553      -1.08097386      -0.17262832 
O       9.72635442       4.11457097      -3.45837050      -0.45665904      -0.06529910      -0.44831552 
O       9.49378346       3.20274611      -8.71914406       0.49455058       1.62146027      -0.18400082 
O       4.39951482       9.33659071      -3.45548652       0.01239822       0.09172310       0.10630328 
O       4.33012146       8.40197099      -8.63714751      -0.30859941       0.32144077      -0.52570107 
O       9.45957092       9.26176382      -3.32004640      -0.01433383       1.36944868      -1.05178201 
O       9.53076252       8.40649961      -8.62791666       0.19485618       0.42733103      -0.00207282 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013966194213236643 -0.0017424631864906563 -0.0006348901655374849 -0.0017424631864906563 -0.020382463378908894 -0.003239014464840205 -0.0006348901655374849 -0.003239014464840205 -0.010423612991969082" pbc="T T T" energy=-946.30457402 free_energy=-946.34244892 config_type=crystal 
Hf       2.82856123       2.04035244      -9.41842453       0.16372161       0.85692978      -0.18304787 
Hf       8.03607993       3.02144424      -4.17173720      -0.42011450      -0.05681190      -0.07340670 
Hf       7.99720090       2.11040121      -9.41777665       0.14277797       0.22674768       0.76008758 
Hf       2.86820395       8.24286538      -4.09686152       0.44522169      -0.69622055      -0.80660047 
Hf       2.82383822       7.21695901      -9.40938048       0.64169494       0.67849795      -1.57469544 
Hf       7.98561012       8.23007538      -4.18236064      -0.77583294      -0.42633145      -0.03928364 
Hf       8.02538209       7.29739950      -9.39286590       0.14858189      -0.77106283      -0.21420136 
Hf       0.14501579       0.76036926      -3.73830833       1.37658274       1.57869514      -0.60558308 
Hf       0.23815128      -0.12256424      -9.01719109       0.40793811       0.20238969       1.04629039 
Hf       5.29955531       0.90657893      -3.69681537       1.64270973      -0.51321585      -0.48448618 
Hf       5.40686753      -0.16764511      -8.93710428      -0.06446530       1.58580861      -0.00005743 
Hf       0.00001891       5.96859455      -3.42444469      -1.22921571      -0.38636757      -1.50059728 
Hf       0.24405473       4.99546920      -9.00602918      -0.75817566       0.08239262      -0.24376952 
Hf       5.33257733       5.83517796      -3.64724390       0.79539927       0.61036742      -0.47508306 
Hf       5.40755578       5.12558499      -8.96984563       0.98769465      -1.32182543      -0.22222133 
Hf       2.37771282       1.17335387      -1.13996619       0.14400457      -0.07572004       0.09068639 
Hf       2.38087802       0.45930087      -6.31450831       0.38914761      -0.27008818       0.30873968 
Hf       7.54250819       1.29393888      -1.03393128       0.33455573      -0.30936419      -1.59940266 
Hf       7.59290372       0.35657218      -6.36453898      -0.33763241       0.87134433       0.36876612 
Hf       2.36746477       6.31322787      -1.12959949       1.04530175       0.28232801      -0.11656446 
Hf       2.54101117       5.29654718      -6.57976611       1.33091260      -0.39918381       1.14816863 
Hf       7.53945978       6.39304754      -1.02263255      -0.33016818      -0.97297671      -0.01888355 
Hf       7.54946221       5.55587376      -6.32327136       1.72722734      -0.62506284       0.03911252 
Hf       4.93595224       3.36718633      -1.60025429      -0.10938778       0.97436779       0.72983577 
Hf       4.95231716       2.68893772      -6.68600788       0.85027068      -1.46307837      -0.47234012 
Hf      10.24743000       3.40128422      -1.57873733      -0.03323439      -1.08963419       0.11861648 
Hf      10.19796763       2.56810329      -6.79203932      -1.04485789      -0.44079517      -0.25694158 
Hf       5.08446114       8.55122318      -1.56672361      -0.85862474       1.00552190      -0.02999020 
Hf       4.95874242       7.72602897      -6.73356019       0.25624206       0.79176372      -0.29523708 
Hf      10.12512646       8.64274333      -1.49554109       0.24792605       0.17605345       0.37034977 
Hf      10.20527003       7.70732553      -6.81200313      -0.91262386       0.44159180      -0.00055657 
O       1.26205209       2.17872323      -2.59710990      -0.17317572       0.35258106      -0.25087904 
O       1.39949335       1.45526819      -7.98276050      -0.17023747      -0.12216220      -0.62854511 
O       6.57630583       2.41187629      -2.67048872      -0.27882118      -0.07761222      -0.34154302 
O       6.60557695       1.50583831      -7.93830376      -0.27451390      -0.32649792      -0.31027896 
O       1.38080142       7.36132097      -2.82681114      -0.25219049       1.25622730       0.80564267 
O       1.46355887       6.49395251      -7.99423134      -0.44299429       0.60448597      -0.59511198 
O       6.52220221       7.58058769      -2.75497559       0.35422601      -0.74660815       0.13044636 
O       6.56241380       6.68344674      -8.01511680       0.11721701       0.05258571      -0.02296858 
O       4.09054350       1.28283242      -5.21374784      -1.09555193      -0.09191933      -1.41936300 
O       3.87927233       0.47076916     -10.34439405       0.16350078       0.10411005      -0.54247076 
O       9.07146639       1.50096200      -5.17672740      -0.18313266      -0.71190410       0.21899111 
O       9.19542147       0.57924032     -10.33911215      -0.69295065      -0.19899795      -0.99645142 
O       3.88815873       6.64210010      -5.22152184       0.50209362      -0.36981857       0.59083292 
O       4.04647971       5.66863775     -10.47093366      -0.83114184      -0.08930392       0.74616530 
O       9.11509264       6.61584972      -5.05788871       0.68275283       0.36053622       0.00590816 
O       9.07158463       5.54953529     -10.37685818       0.77586750       1.97306012       0.59204716 
O       3.99991612       1.69547400      -2.37217844      -0.69192499       0.25839091       0.26765646 
O       3.99526564       1.09441622      -7.87100341      -0.80028806      -0.31317683       1.12020250 
O       9.03220863       1.92286137      -2.57237934      -0.22170384      -0.00082322       0.89339700 
O       9.07593224       0.95924596      -7.74589891       0.63959910       0.32051726      -0.59450467 
O       3.91816331       7.00655674      -2.51158851      -0.39644814       0.12486511      -0.18380693 
O       4.02683270       6.15474249      -7.82627785      -1.22851002       0.19321200       0.51184332 
O       9.01382394       7.09630266      -2.35002294       0.28931706      -0.28918790      -1.48995118 
O       9.10506497       6.14618133      -7.74897831      -0.26350214       0.34735427       0.05379650 
O       1.29372285       2.74533029      -0.11304982      -0.05552265       0.10948814       0.29978816 
O       1.07231024       1.76004588      -5.45243632       0.55872184       0.05820575       0.46103880 
O       6.46450023       2.80690419      -0.10741825      -0.31995183       0.21853829       0.57542069 
O       6.51362731       2.08299300      -5.33105827      -0.24002523      -0.49436642       0.00781432 
O       1.31616724       7.82483290      -0.17612316      -0.92099843       1.33559991       0.24171878 
O       1.42990533       7.22892274      -5.43658884      -0.58357129      -0.92858187      -0.18308926 
O       6.50116893       7.96273842      -0.09290739       0.00406758       0.31833613       0.14236688 
O       6.45617241       7.03793627      -5.40875378      -0.47169528       0.41902394       0.45014364 
O       3.44861195       4.66122760      -0.80007391       0.85354637      -0.93904992       0.44970620 
O       3.57683432       3.76311726      -5.85304908      -0.81392925       1.11875585      -0.55784285 
O       8.69186787       4.71875970      -0.82422704       0.26852930      -0.77289150      -0.64610544 
O       8.72617933       3.82103630      -6.17294299      -0.51309965       0.29165380       0.82330516 
O       3.51568495       9.73221845      -0.88441860      -0.65771288       0.05548708       0.72645149 
O       3.47707450       9.00500596      -6.09627539       0.53961426      -0.65322770       0.40291578 
O       8.71636226       9.87825153      -0.86024741      -0.37722813      -0.69684638       1.38267210 
O       8.73628181       8.91671535      -6.03754005       0.10089478      -0.07186568      -0.46129425 
O       0.76673644       0.00275377      -1.84114832       1.16249987      -0.53680249       0.21039949 
O       0.86434443      -0.86981660      -7.08263419       0.55074554      -0.05350559      -0.11621930 
O       6.14979721       0.04430442      -1.84958596       0.07895571      -0.32541085       0.38443618 
O       6.18931347      -0.90020860      -7.17003035      -0.55747118      -0.50709993       0.55983435 
O       1.00788054       5.04225341      -1.94014668      -0.24844621      -0.11310903       0.41643035 
O       0.94658216       4.22750908      -7.14114849       0.28648843      -0.42991225      -0.10781715 
O       6.03492907       5.17115514      -1.73106333       0.29786702       0.58097599       0.32016285 
O       6.15495713       4.38456463      -7.06572278      -1.23795081      -0.72712652       0.30144519 
O       1.67426585      -0.48040149      -4.48982239      -0.49574135       0.37397086       0.45094390 
O       1.61989156      -1.47042529      -9.71950959       0.35140375       0.39646043      -0.47662766 
O       6.84787250      -0.44579770      -4.53547704      -0.56892601       0.81282506      -0.08567736 
O       6.89493721      -1.32253788      -9.70421150       0.38526340      -0.25128531      -0.26081658 
O       1.36651591       5.75977028      -4.96652669      -0.05473703       0.87960969      -0.15377535 
O       1.57115017       3.75265301      -9.81770781       0.84787505      -0.65670688       0.15231483 
O       7.06631682       4.80220370      -4.20045262      -0.31437775       0.55642960      -1.28007784 
O       6.92639477       3.84575287      -9.51941359      -0.39565488       0.20969449      -1.28902239 
O       4.38652144       4.19513437      -3.33829800      -0.40595067      -0.23106255      -0.41110928 
O       4.09464829       3.45889773      -8.55368760       0.62753259       0.86015524      -0.02078725 
O       9.75154777       4.08407071      -3.62005085      -0.00177065       0.28542823       0.81138239 
O       9.48625289       3.37393568      -8.81527166       0.10435933      -1.06996286       1.06858615 
O       4.29253083       9.41368352      -3.40619236       0.45597871      -0.20375527       0.09117007 
O       4.22604552       8.51020076      -8.66414840      -0.02422724      -0.58091600       0.13833826 
O       9.33558862       9.48380983      -3.40116153       0.37555278      -1.40095511       0.42383767 
O       9.54673085       8.45267663      -8.72062538      -0.31319117      -0.34602750       0.24121483 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015463695524173262 -0.0067058282841721524 -0.0005787373863544521 -0.0067058282841721524 -0.022753844617828044 0.00043249950785950205 -0.0005787373863544521 0.00043249950785950205 -0.012261441706839318" pbc="T T T" energy=-946.58331371 free_energy=-946.62087412 config_type=crystal 
Hf       2.83095796       2.11604912      -9.35652274      -0.80344478       0.26436915       0.02348558 
Hf       8.00523863       3.00433087      -4.12642245       0.65839797      -0.35315002      -0.14761927 
Hf       8.00892947       2.09860681      -9.41240539      -0.08661772      -0.76717819      -0.52811066 
Hf       2.91768014       8.11105944      -4.11702211      -0.22192393      -0.62251757      -0.16415370 
Hf       2.75826787       7.26216135      -9.40703654      -0.26712535      -1.02957720      -0.37454497 
Hf       7.95552896       8.20993001      -4.18086525       0.62914609       0.58495828       0.06332571 
Hf       7.97190043       7.30244869      -9.34219522      -0.20443895      -0.71476589      -1.26783442 
Hf       0.23364604       0.77903690      -3.75133399       0.28940392       0.45338150      -1.11345407 
Hf       0.19941023      -0.12701983      -8.98912649       0.56019056       0.15471193      -0.39818412 
Hf       5.40428419       0.99206912      -3.78765131      -0.99284808      -1.84821764       1.37601515 
Hf       5.29783801      -0.10387797      -8.99328567       0.98353289       0.49333307       0.10993913 
Hf       0.00602429       5.95856750      -3.39800936      -0.16805678       0.90578906      -0.16472918 
Hf       0.18748612       5.02083726      -8.97309273       0.02659105       0.61774629       0.09029942 
Hf       5.48568997       5.88749890      -3.74810443      -0.86199411       0.25275867       0.07522710 
Hf       5.42492306       5.00592843      -8.88999792      -0.52692785       0.73297455      -0.99182537 
Hf       2.38243552       1.22318438      -1.19858497      -0.20089248       0.21309593       0.85858120 
Hf       2.43738584       0.42387204      -6.22690266      -0.14373334      -1.10954749      -0.49081244 
Hf       7.47873776       1.27769442      -1.07106849       0.65475000      -0.30491251      -0.16950334 
Hf       7.56967840       0.35305476      -6.41072674       0.77798722       0.56174642       1.16882873 
Hf       2.42313233       6.38285820      -1.03798472       0.08175769       0.53471194       0.26925527 
Hf       2.57035003       5.28682226      -6.51081643      -0.60184859       1.64039667      -0.07466161 
Hf       7.44703863       6.29964538      -1.05533000       0.70453407       0.90029768      -0.06734808 
Hf       7.65818958       5.44588025      -6.36052229       0.43516341      -0.09503748       1.51496104 
Hf       4.90211884       3.37584642      -1.57013609      -0.26204111       1.20425692      -0.18594386 
Hf       4.95370406       2.56210800      -6.74103630       0.29966920      -0.60557523       0.88433291 
Hf      10.23987262       3.33853231      -1.50563709      -0.20903269       0.09732725      -0.69839729 
Hf      10.22865734       2.56481508      -6.80609477      -0.78826779      -1.07583801       0.19317078 
Hf       4.92381471       8.68104624      -1.57804513       0.51816934      -1.05283300       0.75326877 
Hf       5.08234308       7.74329701      -6.86736085      -1.52795587      -0.48499675       1.35638241 
Hf      10.14572200       8.70410932      -1.54622280      -0.08533028      -0.76330648       1.44014640 
Hf      10.19630923       7.77057535      -6.84015499      -1.10602291      -1.69034071       0.34505086 
O       1.21312461       2.22180744      -2.68006294      -0.09983181       0.78455087       0.51851156 
O       1.24522064       1.49341024      -8.02277120       0.79876261      -0.52965546      -0.48279615 
O       6.53740685       2.46224548      -2.63763187      -0.42836702      -0.38880004      -0.87497054 
O       6.57838139       1.43662076      -7.95620694      -1.16382666       0.66019440      -0.03871615 
O       1.33657711       7.49157781      -2.70256979      -0.06624624       0.33339653       0.17224016 
O       1.25144318       6.59434648      -8.02371562       0.69891028      -0.22808473      -0.13894641 
O       6.48843240       7.53566297      -2.74434490       0.39344974      -0.35745972       0.39072091 
O       6.60938707       6.46720004      -7.92887791      -0.50990725       1.20083646      -0.02706094 
O       4.01800812       1.24833865      -5.24082181       0.46920005       0.25702858      -0.29743890 
O       3.83187399       0.55562787     -10.38185562       0.73534596      -0.61489965       0.01969273 
O       9.09779779       1.40973724      -5.22396218      -0.12122744       0.26638054       0.83924765 
O       9.16897577       2.25181359      -0.03307348      -0.11182225       0.56615647       1.55589401 
O       3.95888911       6.44372617      -5.16249301       0.97998861       0.36401494      -0.29458798 
O       3.95080806       5.66835070     -10.35488592      -0.43141468      -0.18360409      -0.05252345 
O       9.25172949       6.63884871      -5.08261958      -0.41997297       0.59504243       0.00287951 
O       9.09455965       5.85360966     -10.29080001       0.04616010      -1.28891477      -0.42168510 
O       3.94614572       1.76047184      -2.40474916       0.32939453      -0.05096857      -0.13687754 
O       3.82367532       1.02515776      -7.76990913       0.35100657      -0.30066252      -0.50586307 
O       8.93404341       1.83713635      -2.53452337       0.81007861       0.21970431      -0.69218901 
O       8.99646280       0.92680599      -7.83405395       0.63063866       0.03400201      -0.44880727 
O       3.83911135       7.00421683      -2.48050363       0.53237315       0.14193999      -0.17782832 
O       3.86309339       6.21278522      -7.84822228       0.46109047      -0.48418999       0.60507295 
O       9.03639156       7.09408541      -2.40116625      -1.02435416      -0.27685165      -0.02912815 
O       9.10011648       6.08618525      -7.68900958      -0.23181244       0.11377804      -0.22527481 
O       1.34116369       2.83987836      -0.08824702      -0.70283198      -0.33306262      -0.20038243 
O       1.15824712       1.74270846      -5.50674808      -0.17285961       0.09781427       1.31642230 
O       6.38290555       2.83777112      -0.04517520      -0.11148611      -0.22236388      -0.23475414 
O       6.44541949       2.03770120      -5.23255481       0.14091498       0.36752922      -1.15404779 
O       1.21090597       7.90357574      -0.08734681       0.15402883      -0.18554809      -0.36512989 
O       1.47195091       7.21100122      -5.51203775       0.08304290       0.09358775       0.23236316 
O       6.36672184       7.97775601      -0.01196290       0.59131641      -0.35881438      -0.76195032 
O       6.52670401       7.24373508      -5.33893907      -0.30852545      -1.08925984      -0.85264987 
O       3.56262186       4.70378931      -0.69266783       0.09107569       0.07278125      -0.04357274 
O       3.41002676       3.65550369      -6.19299228       0.44919186      -0.74204625       0.86284770 
O       8.62647333       4.60005731      -0.87358693       0.09294396       0.45201157       0.71577578 
O       8.71847222       3.71895694      -6.02580344      -0.61205826       0.75450580      -0.16727752 
O       3.37606723       9.69736421      -0.80457918       0.06940319       0.72135649      -0.61616698 
O       3.58793978       8.86772718      -5.99895218       0.20206357      -0.05042335      -0.48569578 
O       8.66169934       9.91726546      -0.76638572      -0.03198635      -0.60884280      -0.40770880 
O       8.69006225       8.97787958      -6.14153805      -0.38766674      -0.66232422       0.56951539 
O       0.86436303       0.00741675      -1.86292695       0.71088835       0.12776070       0.33833209 
O       0.80839072      -0.90320273      -7.16453591       1.83116505       1.28184025       0.60674291 
O       6.04606310       0.04237978      -1.82008068       0.27117147       0.45989615      -0.05733021 
O       6.13645420      -0.88830290      -7.17016790      -0.34884316      -0.03858655       0.20492983 
O       0.93494098       5.14619604      -1.72199429      -0.32098551      -0.55213356      -0.05346957 
O       0.87703036       4.25408684      -6.98589587      -0.04884369       0.38170309      -0.44239787 
O       6.23404380       5.01956082      -1.96264912      -0.58040815       0.69037287       0.92898470 
O       6.06727821       4.28870864      -6.92282778       0.22839819       0.12898730      -0.38853790 
O       1.79280343      -0.51058862      -4.44001696      -0.89305246       0.86071841       0.01490218 
O       1.69128983      -1.37481061      -9.74453868      -0.89895158       1.21558444      -0.12245905 
O       6.97847872      -0.26408541      -4.39847685      -0.15965405      -0.72582710      -0.33168650 
O       6.87394892      -1.27082571      -9.66138581      -0.48699531       0.02884423      -0.08048361 
O       1.50058240       5.89854918      -4.82266752      -0.23833839      -0.39933275      -0.10054577 
O       1.79842935       3.86176357      -9.49818025      -0.34340235       0.39115947      -0.87111675 
O       7.10425126       4.84868572      -4.36397109      -0.41277178       0.07584226      -0.82466339 
O       6.81235473       3.76130111      -9.71752382       0.31567350      -0.01723525       0.12929494 
O       4.32621316       4.29606681      -3.35379633       0.24275871      -0.19842953       0.17498781 
O       4.27300851       3.40525230      -8.50724834      -0.10761440      -0.65520429      -1.14613436 
O       9.50956102       4.23267117      -3.37762573       0.30564628      -1.18500846       0.14311002 
O       9.48699901       3.26048262      -8.72441808       0.18277140       0.71828956      -0.06733125 
O       4.29093790       9.37803122      -3.44588940       0.74329541       0.46526531       0.22576520 
O       4.19695716       8.50199409      -8.68538751       0.95899875       0.40594836       0.18197573 
O       9.62463593       9.32765230      -3.45513863      -1.28937670      -0.57957624      -0.44739946 
O       9.49430173       8.39099399      -8.74610484       0.60410326       0.89596824       0.59467749 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007143510610138096 0.00024009175081329462 0.0008305527822117126 0.00024009175081329462 -0.018269613118798544 -0.0002877368474955093 0.0008305527822117126 -0.0002877368474955093 -0.02820745239525093" pbc="T T T" energy=-946.05133577 free_energy=-946.0829678 config_type=crystal 
Hf       2.74246361       2.13619401      -9.42603294       0.49953346      -0.36894131       0.16778263 
Hf       8.02071726       3.05426299      -4.12329443      -0.12940332      -1.47506831       0.16877753 
Hf       7.98238414       2.12983301      -9.42815322       0.64028516      -1.44889262      -0.09552991 
Hf       2.86120068       8.17069908      -3.99612415       1.52336413      -0.07154432      -1.11462358 
Hf       2.78991411       7.29171006      -9.45512597       0.36365670       0.51272612      -0.20341828 
Hf       8.03577965       8.24065857      -4.17923808      -1.63172063       0.60577955       0.07177329 
Hf       7.94995384       7.25522132      -9.34850744       1.04819902       0.27665992      -1.22427071 
Hf       0.34811437       0.78657007      -3.78022089      -1.57795997       0.70134029       1.21040620 
Hf       0.17246705      -0.14838361      -8.95673408       0.35388508       0.13782350       0.88439485 
Hf       5.34514658       0.93602009      -3.76242660       0.21934756      -1.36819940      -0.48003197 
Hf       5.42996287      -0.13327648      -8.97816766      -1.57903604       1.40411191      -0.28341422 
Hf       0.01967787       5.98312050      -3.40583240      -0.61973731      -0.75695944      -0.37838103 
Hf       0.12860577       5.07698582      -8.99703679       1.95806102      -0.69651391       0.70760775 
Hf       5.35689540       5.91011460      -3.68347459       1.28864582      -1.22123220      -0.78985595 
Hf       5.41237968       5.00237348      -8.98836488      -0.07456678       0.45078356      -0.03245290 
Hf       2.31605473       1.25333433      -1.12240732       1.37978780       0.07659089      -0.41494416 
Hf       2.31038662       0.37171476      -6.21896076       1.99291438      -0.51419602      -2.28921288 
Hf       7.59288554       1.22185427      -1.07677997      -0.30032847      -0.22372833      -0.80543587 
Hf       7.58317955       0.45400076      -6.39816437      -1.07621311      -1.04188932       1.39371047 
Hf       2.38827154       6.38203710      -1.07828134      -0.33164881      -0.11395998       0.20543425 
Hf       2.63449982       5.33981638      -6.59094944      -1.05956339      -0.56149000       0.03362449 
Hf       7.55610223       6.26957784      -1.01514416       0.27074421       0.23163598      -1.41039991 
Hf       7.63970753       5.43714418      -6.32766701      -1.40178559       0.15389708       1.11108755 
Hf       4.92462651       3.42528121      -1.59101220      -0.37703559       0.02430620      -0.64520970 
Hf       4.92760530       2.58319577      -6.83672456      -0.39648754      -0.87061035       0.99499632 
Hf      10.25419814       3.31982510      -1.52949768      -0.73168352      -0.03150727       0.02225601 
Hf      10.11008786       2.60350125      -6.82118978       1.34662259      -0.34450308       0.91709325 
Hf       5.01067218       8.55340747      -1.53520443       0.35853686       1.07620986      -0.39515189 
Hf       5.08131195       7.72491772      -6.78592945      -0.36721062       1.17763646       0.86466539 
Hf      10.20273781       8.67702252      -1.49857156       0.04918585       0.14076191       0.10567592 
Hf      10.14646304       7.68519295      -6.78107566       0.31151216       0.66102637       0.82581701 
O       1.31914645       2.27113771      -2.66419215      -0.41794043       0.46052027       0.28873262 
O       1.31294989       1.47256021      -7.97886962      -0.11914283      -0.45635068      -0.55924064 
O       6.61649258       2.36866928      -2.78221159      -0.73381315      -0.55196174       0.86836844 
O       6.54581655       1.43949888      -8.06829491      -0.02363615       0.77045051       0.58524533 
O       1.27592085       7.54068486      -2.69502523       0.66895998      -0.53690100      -0.36240072 
O       1.31881219       6.60382390      -8.08199702       0.22526682      -0.20584241       0.55925159 
O       6.55631230       7.49789170      -2.76360444      -0.26237163      -0.31507577       0.39002217 
O       6.61217708       6.58071208      -8.01100277      -0.74487528      -0.08476775       0.16199905 
O       3.99374709       1.22383968      -5.32112850       0.31426658       0.17099175      -0.04413255 
O       3.79547990       2.37876422      -0.00696462       0.19245573       0.29953337       0.59520674 
O       9.01105804       1.45892623      -5.19508483       0.27529940       0.11148308       0.59553398 
O       9.09301202       0.43467584     -10.36940224      -0.44993704       0.35783395       0.24781805 
O       4.09597367       6.63514035      -5.13953002      -1.09906503      -0.30659859      -0.52908095 
O       3.94046244       5.61959607     -10.45895113       0.46448512       0.99574505       0.97049154 
O       9.10839485       6.69442238      -4.99731062       1.44596982      -0.77189250      -0.43084629 
O       9.13994716       5.67871890     -10.32739308      -0.84473556       0.21654217       0.13585668 
O       3.97933773       1.69714844      -2.44891640       0.03068261       0.45190489       0.32360764 
O       3.90577361       1.03538797      -7.95262435      -0.76534997       0.30285878       0.77733072 
O       9.14913686       1.78115645      -2.44431389      -0.50600678       0.25624829      -0.46336858 
O       9.01614565       0.97004474      -7.78488044       0.73479450       0.35461727      -0.46837600 
O       3.88180964       6.92241346      -2.46180209      -0.02533688       1.08722491      -0.85137380 
O       3.96823674       6.22631368      -7.84717832      -0.06142383      -0.35026757      -0.26343311 
O       9.08850959       7.06608636      -2.34621701      -0.47697771      -0.28699656      -0.15588513 
O       9.12349683       6.04557152      -7.60236012       0.16546349       0.04010167      -0.90224785 
O       1.13891650       2.77690095      -0.01048315       1.16312209       0.31329118      -0.25896047 
O       1.10965109       1.70807567      -5.46050161      -0.90340654       1.15141572       0.46113030 
O       6.40136620       2.79248928      -0.14959291       0.46880764      -0.28958275      -0.00422049 
O       6.39876405       2.07842682      -5.38345472       0.46589269      -0.90777791      -0.32326339 
O       1.28296059       7.92877064      -0.13478477      -0.16300331       0.63732321       0.16544401 
O       1.51603880       7.25486707      -5.36861068      -1.18036775      -0.49542432      -1.15176243 
O       6.56988182       7.93684684      -0.11733711      -1.04149125      -0.42143808       0.02628635 
O       6.60244002       7.11172021      -5.47540478      -0.14899143      -0.72434000       0.18210333 
O       3.66587604       4.85226973      -0.81356569      -0.43636348      -1.29610807       0.88542263 
O       3.45716815       3.72521449      -6.07706163       0.93700046      -0.35134394      -0.00107551 
O       8.83302294       4.64759055      -0.68156546      -0.74091869       0.62324336       0.07783474 
O       8.88491997       3.90028664      -5.75300370       0.76518871       0.26785288      -2.10699267 
O       3.51934887       9.81460982      -0.78934000       0.05713766      -0.43748595       0.29316760 
O       3.62867255       8.95341684      -5.92710382      -0.47236509      -0.24195604      -0.11604220 
O       8.75750108       9.80019491      -0.75915953      -0.91700255       0.74912950       0.77662087 
O       8.70172868       8.98312235      -6.07571797       0.30717497      -0.19248055      -0.02790602 
O       1.03512794      -0.05212755      -1.95492489      -0.44347221      -0.80023800       0.22124305 
O       0.91611210      -0.95092556      -7.10543484       0.31486773       0.16013678       0.16428023 
O       6.11553604      -0.01806235      -1.83711840       0.36579453       0.23127347      -0.06159386 
O       6.02772496      -0.75330111      -7.10913976       0.67337226      -0.78666858       0.17775813 
O       0.98856197       5.09458242      -1.84178161      -0.07700592      -0.26862006      -0.55521375 
O       1.05489829       4.15196916      -7.21046642      -0.38344470       0.37925395       0.38983355 
O       6.22439755       5.04144804      -1.97982440       0.62155973       0.59413440       1.18038176 
O       6.11631417       4.29170133      -7.11806799       0.19954707      -0.09492248      -0.43312810 
O       1.78342515      -0.45932490      -4.42830377      -0.63053034      -0.37868166       0.09732880 
O       1.53561505      -1.38494969      -9.81004437       0.56418078      -0.35986418       0.10274047 
O       6.79337218      -0.48784337      -4.59544000      -0.22944809       1.30640005       0.46719982 
O       6.81427621      -1.36149610      -9.70059426       1.24904003      -0.77033611      -0.43527330 
O       1.42943039       5.79090374      -5.00796787      -0.53360264       0.44413147       1.14950928 
O       1.60908275       3.85939410      -9.76264536       0.33096844      -0.80495261      -0.05960245 
O       6.83504371       4.59570666      -4.56673592      -0.81974790       1.77217880       0.36396405 
O       6.73912632       3.69589266      -9.76300595       0.48072639       0.37803342      -0.38856983 
O       4.28018124       4.21563393      -3.39735948       0.31475075       0.48112965       0.31789726 
O       4.20543616       3.41411798      -8.65135869      -0.24748333       0.32166091      -0.19438077 
O       9.37444874       4.22981685      -3.20548229       0.82388955       1.08105829      -0.30402167 
O       9.37226138       3.36564665      -8.57571531      -0.41039598       0.39284408      -0.15814637 
O       4.29302011       9.37786002      -3.40253669       0.50243032      -0.22200470       0.81535560 
O       4.25336732       8.56618509      -8.58169361      -0.92130292      -1.03671194      -0.79663757 
O       9.43660619       9.39539446      -3.35752845       0.84570090       0.38320418      -0.32278171 
O       9.47206837       8.35697311      -8.54308254      -0.50274715       0.65232876      -1.25641864 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016658076402758605 -0.0015813345214929753 0.004252110161611466 -0.0015813345214929753 -0.00906492354304113 -0.0058614556897671095 0.004252110161611466 -0.0058614556897671095 -0.007969765276954416" pbc="T T T" energy=-946.02528817 free_energy=-946.06300944 config_type=crystal 
Hf       2.89003572       2.06450045      -9.44496277      -1.82496050      -0.16711919       0.75701247 
Hf       7.93702478       2.91600586      -4.16140021      -0.37328416       1.47686702       0.14654145 
Hf       8.10360563       2.15982767      -9.31321707      -0.73067585      -0.54826435      -0.80374974 
Hf       2.88003932       8.16019710      -4.06041703      -0.24103409       0.49021739      -0.80804969 
Hf       2.79050667       7.16942859      -9.50291203      -0.10993367       1.99376217       0.14305574 
Hf       7.99527860       8.27752666      -4.24042121      -1.05593988      -0.23723858      -0.62502014 
Hf       7.94215084       7.17492532      -9.38703377       0.75882540       0.64973411      -0.23318695 
Hf       0.23773618       0.88800754      -3.77168864       0.52885133      -0.21402478       0.55392736 
Hf       0.25996632      -0.16303364      -8.90738175      -0.38749568       0.55477636       0.11363461 
Hf       5.33833210       0.86146083      -3.68443833      -0.13046387      -0.37323477      -0.94402319 
Hf       5.34483560      -0.13274466      -8.95398534       0.71610133       0.15833925      -0.12036613 
Hf       0.01543759       5.98270504      -3.46796930      -0.77515118      -1.11601211       0.31002734 
Hf       0.29539796       5.02559643      -8.98892330      -0.90768116      -0.32239086       0.36217723 
Hf       5.48576104       6.02144281      -3.70688354      -0.63332615      -2.14283499      -0.67981271 
Hf       5.41163969       5.02319201      -8.94801460       0.83212253      -1.25165902      -0.75160831 
Hf       2.34066851       1.30934208      -1.14535425       0.57132851      -0.84020130      -0.06796736 
Hf       2.39470864       0.35213018      -6.27363615      -0.50870319       1.05359363       0.32916745 
Hf       7.56490468       1.18779336      -0.99295170      -1.36053719       0.70192744      -0.49005541 
Hf       7.50850824       0.36187578      -6.44136073       0.10973476       0.26636674       0.85162512 
Hf       2.28249148       6.38864697      -1.09217372       1.90599158      -1.64295413       0.49048246 
Hf       2.65843864       5.34499119      -6.52307985      -1.06610615      -1.07065923       0.66452376 
Hf       7.63950513       6.42743447      -1.04321957      -0.60295719      -1.31397652       0.30423725 
Hf       7.61637540       5.53366727      -6.39509977      -1.07058407      -0.98464944       0.62265644 
Hf       5.00459791       3.46142016      -1.54003491      -0.47259802      -0.04801878      -1.09334805 
Hf       4.97157641       2.57367879      -6.80275863      -0.32031874      -0.84741615       1.24957437 
Hf      10.12461349       3.35904407      -1.51554271       0.45354144      -0.41087705       0.06861660 
Hf      10.19825232       2.65334523      -6.71842224       0.87452553      -1.14310059      -0.56066441 
Hf       4.95549514       8.52011120      -1.48843829       0.09813168       1.14715670      -1.10625271 
Hf       4.91640830       7.68583712      -6.79916564       0.67581652       1.30152998      -0.45808893 
Hf      10.11290550       8.74061657      -1.57933702       0.00676974      -0.57038437       0.67102929 
Hf      10.11957202       7.69860496      -6.83008987       0.03985781      -0.02106789      -0.77167505 
O       1.26741037       2.29836362      -2.57306503      -1.24074846       0.19864896      -0.21506197 
O       1.34458272       1.43107104      -7.89422860       0.05498646      -0.27625509      -0.60850339 
O       6.51852436       2.36043895      -2.70222579       0.19779148      -0.21398607       0.05730706 
O       6.57933928       1.57390640      -7.91465938      -0.33884025      -0.74907863      -0.74658785 
O       1.38953249       7.42888174      -2.61920638      -1.21789459       0.89076874      -1.22277481 
O       1.30235854       6.52350038      -8.02418111       0.71896329       0.75033964       0.13380513 
O       6.46482378       7.60941695      -2.84240461       0.73084136      -0.15105200       0.61923658 
O       6.45956120       6.61600748      -8.06024842       0.21572840       0.07701068       0.54336864 
O       4.08809128       1.20679630      -5.36247613       0.02325967      -0.27068374       0.74494176 
O       3.84926402       0.40147552     -10.39441569       0.64112787       0.86411217      -0.14008274 
O       9.06888575       1.55929981      -5.15192522       0.35004308      -1.03364099       0.09692712 
O       9.06483011       0.48266726     -10.34767286       0.99181835       0.30405136      -0.29332880 
O       4.03630616       6.46472744      -5.26628416      -0.11101959       0.69272747       0.76766616 
O       4.00550963       5.61712760     -10.47097199      -1.04003412       0.23374812       0.49643312 
O       9.25769549       6.57648818      -5.13779501      -0.62265459       0.80198665      -0.26890567 
O       9.08472285       5.63178947     -10.34816082       0.76020625       0.27449462      -0.47182488 
O       3.92705013       1.79168451      -2.59537678      -0.59831936       0.32099624       1.95040202 
O       3.80468861       1.00763585      -7.76597372       0.83279109      -0.37353585      -1.14128591 
O       8.92948987       1.77156210      -2.46226254       1.20058090       0.92729268      -0.68258587 
O       9.08546814       1.02417113      -7.78560089      -0.09493416      -0.15298265       0.75833027 
O       3.83344500       6.87933988      -2.51760514       0.21511363       0.85718422      -0.35526658 
O       3.89586023       6.12348697      -7.90768521      -0.02517107       0.41996374      -0.20735632 
O       9.01817332       7.15514574      -2.49682753      -0.27717490      -0.97299879      -0.05400982 
O       9.02990427       6.07729681      -7.81932184       0.07190428       0.44295344       0.46770255 
O       1.26992627       2.77396455      -0.00365588      -0.75820350       0.16004566      -0.42731389 
O       1.18270265       1.83731693      -5.31872964      -0.22480900      -0.31714496      -0.73093299 
O       6.44138213       2.77068864      -0.10028888      -0.57493324       0.22120317       0.58803049 
O       6.46861790       1.95957245      -5.31568017      -0.04010069       0.41898415      -0.31451623 
O       1.21475807       7.96271911      -0.12857263       0.13700935      -0.20408275      -0.07476657 
O       1.43585575       7.22784586      -5.43851622      -0.14419353      -0.34693769       0.09536344 
O       6.47501489       7.86754589      -0.10406153      -0.45234731       0.47832428      -0.19345480 
O       6.49469484       7.15302767      -5.51035440       0.25144860      -0.33217833       0.72496680 
O       3.46461768       4.60128336      -0.80943896       0.17261956       0.17807484      -0.03168442 
O       3.54976719       3.72092949      -6.03197715      -0.03988966       0.36164555      -0.19781387 
O       8.64194126       4.65230555      -0.79569779       0.55404699       0.05449644       0.01243292 
O       8.68498690       3.84110882      -6.11159920      -0.09980921      -0.06541231       0.37804663 
O       3.46293944       9.83927878      -0.84188346      -0.11329136      -1.27988826       0.29178822 
O       3.43566710       8.87636205      -6.06535221       0.30150782      -0.72335940       0.73729325 
O       8.54277535       9.75698247      -0.87327254       0.78136273      -1.04849652       0.70363211 
O       8.64078752       8.93802206      -6.18278456       0.07099311      -0.42773570       0.63331689 
O       0.85002796      -0.02662080      -1.90770880       0.85268229       0.81131853       0.78542670 
O       0.89973887      -0.98988433      -7.05631521       0.07449670       0.42628501       0.13772557 
O       6.02860439      -0.07199863      -1.75009396       0.66631901       1.14494608      -0.04264762 
O       5.95179226      -0.82463827      -7.07444468       0.49458401       0.17607076      -0.06691605 
O       0.99404586       5.03062610      -1.87429940      -0.96767573       0.15827761       0.08183330 
O       1.06752114       4.21633061      -7.08747968      -0.72212375      -0.04450437       0.14697286 
O       6.10347156       5.23632252      -1.75923882       0.06401059       0.22107971       0.00257925 
O       6.04918393       4.29863070      -7.06817289       0.53094996       0.86822762       0.29928417 
O       1.67484189      -0.48503828      -4.32930215       0.37629615      -0.15051358      -0.64824257 
O       1.65553661      -1.42368265      -9.60795757       0.07001134       0.13272819      -1.15605500 
O       6.87812779      -0.37056137      -4.56903943       0.06547492      -0.18326477       0.62807093 
O       6.98597168      -1.33655759      -9.56850971      -1.24431888       0.63573921      -0.32994540 
O       1.47469706       5.82516530      -4.87239136       0.13543603       0.11016366       0.03824305 
O       1.80830346       3.86778916      -9.60763153      -0.09261706       0.02196911      -1.18482898 
O       6.98976902       4.83557004      -4.44918764      -0.06502408      -0.13705096       0.11754955 
O       7.02442522       3.87023771      -9.49084297      -0.41566462       0.37618206      -1.01670813 
O       4.52383594       4.12779784      -3.44940679       0.59871054       1.15404540       0.37194501 
O       4.26683314       3.29373970      -8.68338495       0.96819638       0.81262409       0.02150253 
O       9.46504796       4.18372893      -3.42079668       0.53087818       0.05783056       0.43533497 
O       9.59801537       3.32711072      -8.69519348       0.22036403      -0.05193289       0.32266012 
O       4.30941569       9.36062630      -3.39394375      -0.21866457      -0.84969273      -0.09401224 
O       4.21524855       8.54351871      -8.71066851      -0.16459599      -1.53779882       0.19306203 
O       9.41995034       9.37352377      -3.47191657       1.04176009       0.81746113       0.00192968 
O       9.38030108       8.46472979      -8.69756473       1.00386607      -0.33204222       0.42657021 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0146151029705501 -0.0010367949191335498 0.0004537265620796656 -0.0010367949191335498 -0.01235741713052464 -0.0008039573310942673 0.0004537265620796656 -0.0008039573310942673 -0.01226346290722257" pbc="T T T" energy=-946.15997121 free_energy=-946.19413814 config_type=crystal 
Hf       2.79086960       2.07011120      -9.33433574       0.05446391       1.08639367      -1.50888587 
Hf       8.01477598       2.95575198      -4.15417150      -0.66127913       0.84144626       0.17018754 
Hf       8.02105536       2.09628643      -9.38360344       0.47210768       0.34703712      -0.17361688 
Hf       2.88307007       8.19914782      -4.07199225      -0.31076047       0.01197514      -1.95114563 
Hf       2.77052624       7.32083206      -9.46204260       1.32329184      -0.58379051      -0.00498171 
Hf       8.00322468       8.17111925      -4.13852647      -0.92781563       0.66094074      -0.17811115 
Hf       8.02203028       7.18192265      -9.43528816      -0.25929126       0.50852657      -0.06136126 
Hf       0.29015055       0.77458452      -3.71133495      -0.54046944       0.16984142      -0.40718475 
Hf       0.23004300      -0.05948050      -9.02352483       0.02202543      -0.81239706       1.55358877 
Hf       5.34786572       0.91125187      -3.73845387      -0.78664141      -0.00445342      -0.05633909 
Hf       5.39949728       0.01588890      -9.04329365       0.95799475      -1.76031817       0.91159349 
Hf       0.00485518       5.90023872      -3.31594173      -0.36022132       1.03897383      -1.25574553 
Hf       0.32287083       5.02800341      -8.96083613      -1.35631334      -1.20190966       0.09764203 
Hf       5.34094318       5.95436912      -3.69037904       0.74296602      -0.12891668      -1.23053272 
Hf       5.41026027       4.94576925      -8.94575897       0.38476492       1.77171535      -0.23346466 
Hf       2.35540694       1.33601417      -1.14833137       1.17718029      -0.38267736      -0.82652080 
Hf       2.39990618       0.41697792      -6.34431884      -0.92930494      -0.27927487       1.50217093 
Hf       7.56905716       1.11770435      -1.13406759       0.09347134       1.08176424       0.66757896 
Hf       7.49143044       0.42024509      -6.27369547       0.74837382      -1.25329484      -0.21521425 
Hf       2.45324424       6.30725651      -1.11285693       0.09149636       0.92064592       1.09300184 
Hf       2.54501974       5.46313143      -6.59249156      -0.53836590      -0.28416967       2.18560022 
Hf       7.53132034       6.31157727      -1.05536466      -0.13803135       0.40756981       0.17072641 
Hf       7.61845761       5.51018591      -6.37206727      -1.85835361      -0.41464639       1.79748109 
Hf       4.92121568       3.48139948      -1.57703792       0.17034524      -0.38151265      -1.30818335 
Hf       4.95396340       2.57073813      -6.72121046      -0.75710452       1.06986530      -0.46485935 
Hf      10.16579751       3.33434161      -1.53757903      -0.55604709       0.03752495       1.44879600 
Hf      10.15175107       2.52258367      -6.75547397      -0.25564164       0.39076701      -0.34183184 
Hf       4.96474790       8.61328663      -1.51819863       0.69699989       0.11369287       0.03281604 
Hf       5.03466098       7.76671074      -6.87334472      -0.32280117      -0.58210996       1.68089318 
Hf      10.27965571       8.59551912      -1.53358660      -1.02459973       0.18625912       0.47632584 
Hf      10.05195406       7.70790229      -6.85260218       0.66263863       1.56564274       1.06550712 
O       1.15139368       2.31871665      -2.54054503       0.90809546      -0.70527678      -0.78151607 
O       1.30335725       1.48860889      -8.00541006       0.02885493      -0.31063889       0.18416039 
O       6.54288669       2.47983780      -2.74100372       0.10672462      -0.72698574      -0.20338316 
O       6.59686355       1.51462067      -7.85737113      -1.62523357      -0.17680783      -1.37514226 
O       1.33837691       7.42033597      -2.68451719       0.00332675       0.47581997      -0.02259106 
O       1.37012851       6.57259616      -7.95566836      -0.22491692       0.57882196      -1.52732035 
O       6.55240971       7.54415432      -2.72879122      -0.43511520      -0.12526015       0.49207659 
O       6.64267477       6.67384471      -7.90334804      -0.33395201      -0.17580629      -0.83370305 
O       4.01353022       1.36480111      -5.30543884      -0.34114692      -0.62410563      -0.06733681 
O       3.93617000       0.59969090     -10.48201493       0.14389992      -0.48744442       0.82954621 
O       9.08413777       1.35185777      -5.05759626      -1.11261659       0.59604249      -0.28046091 
O       9.17547761       0.48135799     -10.41334488      -0.24694804       0.09852505       0.17174178 
O       3.98052098       6.65105456      -5.25811061      -1.00894998       0.08362332       0.61034780 
O       3.88663063       5.65533789     -10.40716571       0.55666499       0.16664533      -0.02533615 
O       9.17910631       6.69217699      -4.97902816      -0.00949829      -0.78788693      -1.18068430 
O       9.19190632       5.62647881     -10.38262248      -0.09952084       0.41997361       0.59570143 
O       3.94433781       1.88915160      -2.55940870      -0.46883531      -0.37370140       1.17577584 
O       3.82464244       0.97755918      -7.87231378       0.56337681       0.17749287       0.51916086 
O       9.03749324       1.77065401      -2.52673655      -0.54343102       0.25656181       0.11417394 
O       8.96659714       0.94877556      -7.71889456       1.21191870       0.35130548      -0.82047395 
O       3.88372166       7.10650906      -2.53584781      -0.29652891      -0.40580232       0.50805184 
O       3.96823746       6.14960687      -7.82505789      -0.00973798       0.45247705      -1.10348729 
O       8.98966308       7.10821671      -2.37624490       0.62017279      -1.25159171      -0.58185254 
O       9.04600611       6.06418395      -7.75368531       0.91063348       0.52867731      -0.10841543 
O       1.26734221       2.85177625      -0.05105836       0.21487212       0.00691382       0.02146900 
O       1.04925802       1.82724848      -5.39980581       1.39846249      -0.94833705       0.17541014 
O       6.51741322       2.75674827      -0.10867013      -0.55847967       0.31736266       0.35476267 
O       6.38231320       2.05284685      -5.35794954       1.34911977      -0.41387328       1.09378012 
O       1.26996742       7.86832548      -0.08281171       0.47291133       0.70350554      -0.04824818 
O       1.33033420       7.05445231      -5.50879422       0.91659965      -0.00143810       1.00971690 
O       6.47713919       7.83671612      -0.01972944      -0.43469183       1.07934679      -0.57027948 
O       6.35721368       7.04527242      -5.33320239       1.59022056       0.24327375      -0.36325020 
O       3.51189332       4.67013494      -0.76716969      -0.18525250      -0.01461552       0.30273709 
O       3.51445910       3.86790564      -6.15105568       1.00665342      -1.19324355      -0.06612588 
O       8.60049530       4.63116409      -0.82215359       0.49963186      -0.52117209       0.21351718 
O       8.66368253       3.75078405      -6.04574605       0.01235703       0.00898845       0.47026682 
O       3.44961347       9.73412781      -0.83319853      -0.10385809       0.87254461       0.10183230 
O       3.58386845       9.05058569      -5.90952332       0.03776648      -0.43372741      -0.82917156 
O       8.64639724       9.70553910      -0.93137921      -0.01812534       0.11382510       1.19603195 
O       8.65835023       9.00863512      -6.08743043       0.38203068      -1.27789429       0.32255831 
O       1.03380962      -0.06327520      -1.86198085      -0.22083136      -0.03342493       0.11389175 
O       0.88203349      -0.86324322      -7.06920278       0.18303631      -0.52204961      -0.37383684 
O       6.04472982       0.09467683      -1.82446856      -0.38699991      -0.65301753      -0.04803962 
O       6.19043240      -0.95718907      -7.07833661       0.05671530       1.96166897      -0.63670160 
O       0.93551930       5.09188415      -1.69140294      -0.75148332      -0.25866305      -0.59983628 
O       0.94387268       4.18860667      -7.00415586      -0.00624451       0.67906389      -0.76683609 
O       6.01155423       5.19674600      -1.80153192       0.35414278       0.35718648       0.23273869 
O       6.11605254       4.33088162      -7.10658413       0.10633336      -0.39045868       0.63121689 
O       1.62484961      -0.52135003      -4.48404255       0.52069755       0.14026137      -0.02134047 
O       1.81907456      -1.23047893      -9.75010252      -1.27926102       0.28312381       0.40217276 
O       6.77730193      -0.45411225      -4.46130028       0.29213075       0.83694101       0.01827650 
O       6.87676209      -1.36034924      -9.63913150       0.35265621      -0.03412580      -0.86088228 
O       1.51571784       5.73226538      -4.75322221      -0.65825162       0.40042248      -0.01943263 
O       1.78261896       3.82361700      -9.64026924       0.07069726       0.06675351      -0.08369710 
O       6.85945041       4.80138959      -4.39575279       1.07866120      -1.05878466      -0.40592900 
O       6.89829962       3.78521236      -9.64639055       0.48023080      -0.62343730      -0.23150384 
O       4.12661206       4.39548825      -3.35041462       0.44700513      -0.13578635       0.49743154 
O       4.32418819       3.35898577      -8.71320430      -0.80259247      -1.68610641       0.40515548 
O       9.47807479       4.17182456      -3.30958373      -0.30211165      -0.31446748      -0.76532228 
O       9.53342327       3.32346485      -8.69859042      -0.18039005      -0.45900517      -0.11690644 
O       4.28068132       9.42720521      -3.39479702       0.08700308      -0.00137128       0.45783998 
O       4.27709626       8.54653485      -8.63521089      -0.37297386       0.15163403      -0.96518771 
O       9.51956199       9.25931960      -3.39102038       0.55952301       1.06888197      -0.42604552 
O       9.55705786       8.43888988      -8.68780506      -0.48462462      -0.42663232      -0.85472233 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0167839139710907 0.005243603290007513 0.002212864876426488 0.005243603290007513 -0.013739093733004746 -0.004910472433477167 0.002212864876426488 -0.004910472433477167 -0.013274389935474461" pbc="T T T" energy=-947.12669291 free_energy=-947.16413036 config_type=crystal 
Hf       2.79261694       2.10994137      -9.40797928       0.10935102       0.01892620       0.58474565 
Hf       7.96969759       3.04554007      -4.11526159       0.15137936      -0.15757888      -0.47814742 
Hf       7.99920467       2.05018176      -9.42959274      -0.07694453      -0.36030403       0.56195136 
Hf       2.88255045       8.14453967      -4.08146881       0.89988116      -1.25049312      -0.17968017 
Hf       2.80026066       7.29771549      -9.41959986      -0.03045899      -0.04997488      -0.23356687 
Hf       8.02546105       8.25816677      -4.17820860      -0.43478896      -0.62351254      -0.10755423 
Hf       8.02461071       7.30962792      -9.34307517       0.01182534      -0.30531744      -0.24526869 
Hf       0.33783722       0.77272535      -3.75607994      -0.97769939       0.24500017       0.56843248 
Hf       0.29792955      -0.08475407      -8.99253256      -0.86285115      -1.01023053       1.05578974 
Hf       5.28488619       0.88084206      -3.77884647       0.00168291      -0.40968337      -0.03906277 
Hf       5.34296929      -0.08714849      -9.02301356       1.16573336      -0.48647117       1.01136984 
Hf       0.00918357       6.03990480      -3.48341776      -0.71808957      -1.51372053      -0.38606452 
Hf       0.23229416       4.94682085      -8.98535720      -1.00964056       1.65133737       0.35408273 
Hf       5.45635546       5.95451626      -3.71127846      -0.81751380      -0.50528947      -0.45295282 
Hf       5.42354281       5.07612442      -9.01578138       0.06457675      -0.96188286       1.39778341 
Hf       2.45389041       1.32087292      -1.18746569      -0.35751483      -1.11213311      -0.21877809 
Hf       2.38444501       0.31979525      -6.25586758      -0.13098777       1.14160259      -0.66686506 
Hf       7.57736223       1.21422613      -1.14479509      -0.53755176      -0.29109395       0.88064673 
Hf       7.55796137       0.38445373      -6.28052233      -0.24127789       0.01324266      -1.52412014 
Hf       2.42577001       6.35628019      -1.10596435      -0.78550479       0.19511233       0.33930056 
Hf       2.51006772       5.34344948      -6.60031586       0.29060820       0.40207780       1.62515691 
Hf       7.50576115       6.34722991      -1.03761153       1.21051888      -0.69115640       0.20386721 
Hf       7.48608598       5.47169377      -6.37557016       1.16527110       0.31676700      -0.36790822 
Hf       4.96431993       3.42369295      -1.59665480      -0.55931056       0.38374619      -0.77439776 
Hf       4.93553216       2.56999600      -6.80264617       0.51278986      -1.34999418       0.43627772 
Hf      10.20501152       3.38999254      -1.46278347      -0.42795173      -0.33683687      -1.03901066 
Hf      10.07055300       2.58847323      -6.74092982       0.31552350      -0.58441129      -0.70022688 
Hf       5.01746826       8.58157368      -1.47585764      -0.27811927       0.91447917      -0.96663317 
Hf       5.03059380       7.77630393      -6.74667364      -0.42485260      -0.61184657      -0.50038679 
Hf      10.19500816       8.58676216      -1.46862547       0.13392412       1.12059380       0.41944683 
Hf      10.10576020       7.68443627      -6.77882076       0.54293076      -0.11845621      -1.29273600 
O       1.19966814       2.23518159      -2.60816208      -0.07536819       0.53500298       0.10005389 
O       1.28954762       1.44138195      -8.02908793       0.12146411      -0.04163692       0.35630716 
O       6.44839475       2.40221867      -2.80731166       0.30882345      -0.04741666       0.40421583 
O       6.44805249       1.36897473      -7.94998429       0.72557011       0.90723957      -0.72695874 
O       1.29134296       7.48371587      -2.65773954       0.67155316       0.22392167      -0.40143100 
O       1.31744608       6.63771250      -7.96799679       0.56677598      -0.56024028      -0.65366024 
O       6.65276572       7.50050619      -2.70357197      -1.05962635      -0.03644314      -0.10428726 
O       6.50245795       6.63889401      -7.98540529       0.31966924      -0.35298744      -0.43814351 
O       3.94166751       1.27458537      -5.26755536       0.67924199       0.04290881      -0.11514998 
O       3.94847575       0.56489030     -10.41430432      -0.57466851       0.10197312      -0.62313351 
O       8.98697365       1.51589686      -5.14045502       0.59149493      -0.58521144       0.50748346 
O       9.15670546       0.41457014     -10.33501020       0.07375791       0.93267986      -0.54008833 
O       3.95135739       6.60229845      -5.12781326       0.69130696       0.24124881      -0.22067622 
O       3.96218564       5.62829260     -10.40084068      -0.51133118       0.45783579      -0.06003402 
O       9.15939197       6.68472087      -5.15744391       0.25934741      -0.59195835       1.13574920 
O       9.11807299       5.71529740     -10.29980846       0.02844427      -0.08794276      -0.85064246 
O       3.93601020       1.83069091      -2.56031259      -0.18364363       0.03315221       1.29430071 
O       3.80290896       0.99683921      -7.83865415      -0.18263759      -0.16459534       0.09187225 
O       8.95390571       1.84479004      -2.52816610       0.52404986       0.05725483       0.08175323 
O       9.01794806       0.99798383      -7.76006263       0.20719187       0.24723079       0.18779480 
O       3.94206016       7.01994031      -2.49319075      -0.53619315      -0.04827088       0.48866447 
O       3.96374408       6.11883381      -7.80152041      -0.53231981       0.30137292      -0.33757496 
O       9.02791609       7.03585460      -2.36464249       0.18786672       0.19643591      -0.30034722 
O       9.05710846       6.05873501      -7.76239523      -0.20307146       0.71170674       0.56107160 
O       1.27992683       2.74675911      -0.08477133       0.33899134       0.90818836      -0.07164745 
O       1.02211919       1.78435632      -5.40303149       1.01624333      -0.81595303      -0.32353400 
O       6.46984811       2.72018791      -0.09651266      -0.07574269       0.64433045      -0.73386426 
O       6.49434718       1.95137860      -5.38608827      -1.05996242       0.35394413       0.35632318 
O       1.29214374       7.88106995      -0.06660101      -0.09581838       0.45324883      -0.53106340 
O       1.40454034       7.01608731      -5.36533355       0.15608352      -1.26976868       0.64012106 
O       6.44961343       7.87622240      -0.07826496       0.12983915       0.42276126      -0.06282888 
O       6.46698673       7.01619309      -5.42598745      -0.06715189       1.18200946       0.73612825 
O       3.41376716       4.67233280      -0.76375186       0.95452826      -0.75174865      -0.58781674 
O       3.63217927       3.82183424      -6.11979512      -1.00702222       0.48355438       0.33170652 
O       8.67805304       4.60847520      -0.81753512      -0.38240012       0.00745409       0.64367122 
O       8.64766849       3.83534144      -6.04792408       0.65676696      -0.39354801       0.30504233 
O       3.57451396       9.82669977      -0.80017839      -0.32741001      -0.20461107       0.55711901 
O       3.56670337       8.95021714      -6.00037617       0.03641235      -0.23909330       0.27608562 
O       8.72038913       9.86390247      -0.70779540       0.61035344      -0.71979541      -0.74264061 
O       8.71221882       8.92347517      -6.07185502      -0.57990173       0.89880437       0.37751080 
O       1.10546796      -0.07277501      -1.93917852      -0.74952549      -0.79233893       0.55427881 
O       1.04213724      -1.02349866      -7.02071150      -0.82471725       0.02766702      -0.66584280 
O       6.11143676       0.00036635      -1.82953404       0.25926830       0.10673208      -0.11719072 
O       6.12939576      -0.88849394      -7.15214008      -0.02016586      -0.14959718       0.69356027 
O       0.79396909       5.20205430      -1.79851857       0.95646624      -0.36690701       0.64382956 
O       0.98040943       4.17247202      -7.16485933      -0.28307619       0.01627393       0.64061299 
O       6.17384523       5.07923491      -1.84287451      -0.29670437       0.48781214       0.07784519 
O       6.10193712       4.23948756      -7.01902878      -0.23376855       0.25749955      -1.15869222 
O       1.72415080      -0.61453131      -4.42730117      -1.18434132       1.96912637      -0.59134569 
O       1.67894231      -1.33386132      -9.79270434       0.15380427      -0.27432505       0.15631681 
O       6.86129739      -0.41813422      -4.48865283      -0.32037189      -0.04842656       0.33394422 
O       6.87074725      -1.32424930      -9.66014264      -0.08628347      -0.22806592      -0.49993014 
O       1.66877749       5.57036254      -4.65306217      -0.52987180       0.92332759      -0.83402980 
O       1.66708667       3.80477759      -9.66147800       1.12329312      -0.63560852      -0.99218036 
O       6.95694878       4.84041152      -4.47840447       0.08601608      -0.96836250       0.86378285 
O       6.83944545       3.69423070      -9.66866555      -0.27604568       0.96086367      -0.38437252 
O       4.30665498       4.30507840      -3.38181084       0.57188988       0.43955104       0.48148051 
O       4.27591457       3.36417726      -8.67865559      -0.14373083      -0.06532531      -0.18221867 
O       9.50603996       4.15490988      -3.31581057       0.28648223       1.03245705      -0.91025325 
O       9.45263561       3.34433850      -8.74902221      -0.24955741      -0.86527110       0.57156023 
O       4.24934201       9.37297147      -3.34007711       0.78476539       0.24086551      -0.12616225 
O       4.27915416       8.45943292      -8.67490257      -0.21465014       0.06230439       0.08235132 
O       9.54928322       9.28155471      -3.42488172       0.17633316       0.57684595       0.41310060 
O       9.45502683       8.48243411      -8.63346548       0.73654068       0.24328963       0.64407426 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.019840133738893217 -0.0016517338448482747 0.0012152681575317119 -0.0016517338448482747 -0.019961584244083362 0.00105778043943356 0.0012152681575317119 0.00105778043943356 -0.012759559529580675" pbc="T T T" energy=-946.90899443 free_energy=-946.94400262 config_type=crystal 
Hf       2.85033430       2.12831733      -9.42389838       0.25959911      -0.43698272       0.09778044 
Hf       8.00059853       2.96637094      -4.14047885      -0.22849015       0.09082808      -0.27719169 
Hf       8.05054956       2.18680309      -9.43230158       0.14730622      -1.44897275       1.44209765 
Hf       2.82039882       8.15764852      -4.23262242      -0.40574068      -0.98423337       1.29882906 
Hf       2.81851402       7.24634100      -9.37464591      -0.76226135       0.04252595      -1.42713793 
Hf       8.00671488       8.22204629      -4.08273308      -1.16864469      -0.05768547      -1.29987817 
Hf       8.02643909       7.28824616      -9.45328070       0.12105455       0.07570862       0.48885206 
Hf       0.27736799       0.83822359      -3.70817375      -0.14059097       0.19472577      -0.42681315 
Hf       0.31652901      -0.10796854      -8.96114327       0.22032225       0.24021598       0.03360088 
Hf       5.25683884       0.87727596      -3.71117723       0.88707610      -0.38969919       0.06456655 
Hf       5.44130200      -0.05534205      -8.96599496      -0.63036947      -0.05103237      -0.92088406 
Hf      10.29289918       5.94526553      -3.46096110       0.86382037       1.82748476      -1.01106879 
Hf       0.25323196       4.94402854      -8.96989561       0.50351403       0.93449949       0.37754981 
Hf       5.41520086       5.92700323      -3.73336056       0.60257341       0.13200462       0.20851584 
Hf       5.43818253       5.02894981      -8.90706599      -0.49980374       0.02534251      -0.54547283 
Hf       2.37312831       1.32545353      -1.20766178       0.35797255      -0.65828305       0.85434985 
Hf       2.41284106       0.37180115      -6.28186409      -0.52262005       0.44003949      -0.60854995 
Hf       7.51748337       1.27153938      -1.08625150       0.12109518       0.21240535      -0.20141202 
Hf       7.56939547       0.28371926      -6.37682046      -0.21932350       0.54012045       0.65268825 
Hf       2.38940533       6.40002126      -1.14156816      -0.09278985       0.44188581       0.24508761 
Hf       2.65603911       5.27710955      -6.47527058      -2.17067786       0.44524861       0.60147994 
Hf       7.46762056       6.36875469      -1.01664679       1.49276196       0.98619455       0.22734107 
Hf       7.53643049       5.43612076      -6.39273609       1.09040519       1.07049282       1.05816377 
Hf       4.91313775       3.56566902      -1.61776853       0.35034512      -1.39880628       0.14143132 
Hf       4.95370489       2.50822740      -6.70676753       0.28423619      -0.53503988      -0.49519088 
Hf      10.21193561       3.39202647      -1.47958913      -0.22230482       0.37755146       0.08059135 
Hf      10.20864978       2.49638311      -6.69808008      -0.36935941       0.68423044      -0.43627471 
Hf       4.93894911       8.60448710      -1.54030677       0.30981303      -0.29391738       0.32418750 
Hf       4.95927835       7.75904631      -6.81499811       0.54376543      -1.16383038       0.46091161 
Hf      10.21593182       8.61490731      -1.51285750       0.18841902       0.21615928       0.15971973 
Hf      10.10441216       7.72064377      -6.84261864       0.01896872      -0.36091763      -0.20396666 
O       1.15908687       2.36826876      -2.63224580       0.43079064      -0.61781145      -0.02833045 
O       1.39382960       1.46147918      -7.99260018      -0.15905201      -0.27319941       0.01741669 
O       6.52821466       2.34172752      -2.67895671      -0.39680340       0.76688645      -0.89165013 
O       6.62664224       1.35160614      -7.94345608      -0.74894302       0.82368671      -0.42415201 
O       1.24414463       7.57836620      -2.79729347       0.22550421      -0.37364891       0.29686895 
O       1.38609860       6.52343143      -8.03673950      -0.34907957      -0.02287212      -0.18931371 
O       6.54284679       7.53872826      -2.60260622      -0.30505074       0.35141981      -1.21307838 
O       6.53196026       6.62950848      -7.97311309       0.07063647       0.03799167      -0.11856713 
O       3.99621250       1.19939913      -5.23994207       0.00787705      -0.28073347      -0.41196437 
O       3.93706658       0.43326354     -10.45540928       0.11526952       1.16563014       0.45820961 
O       9.09055097       1.42082407      -5.07923881      -0.25304211       0.02191373       0.19580623 
O       9.29769210       0.61731203     -10.32472225      -0.84063726      -0.17343196      -0.26070126 
O       3.98823743       6.52232658      -5.09504114      -0.32904710       0.29481296      -1.16451715 
O       3.85362867       5.67165045     -10.36934123       1.07658840      -0.12292640       0.15981236 
O       9.08447701       6.62187933      -5.14340862       0.71719936      -0.14694790       0.89025612 
O       9.18202370       5.73802784     -10.40547333       0.06326456      -0.16316448       0.34813139 
O       3.86326182       1.82038676      -2.49101241       0.66351917       0.23844268       0.01171640 
O       3.87070834       1.00053544      -7.80428269       0.14328442      -0.45470597      -0.02693887 
O       8.97237903       1.91484652      -2.46926087       0.43549912       0.00088168      -0.13303397 
O       9.03341567       1.05787461      -7.65733582       0.77445411      -0.94064658      -0.48815273 
O       3.85215044       7.01331438      -2.53640717      -0.10295730      -0.03731174       0.16934756 
O       3.88514368       6.16296312      -7.76296541       1.13263240      -0.10346279      -0.79696953 
O       8.93175859       7.08614955      -2.44723190       0.51196359       0.01020588      -0.01409555 
O       9.06441044       6.22928680      -7.82659927      -0.26267927      -0.88050328       0.07941665 
O       1.37091381       2.88424404      -0.15157437       0.03483376      -0.05050699       0.63735914 
O       1.16681080       1.77727052      -5.40306278       0.34714095      -0.49115657       0.44814592 
O       6.47956969       2.87547774      -0.05601485      -0.19997357       0.12175128      -0.36377997 
O       6.44686416       1.93108648      -5.37310493       0.48174615       0.29132323       0.68889834 
O       1.35616749       7.91138217      -0.10511327      -1.36246066       0.39990967      -0.79265849 
O       1.31339210       6.95331625      -5.53252050       0.99541271       0.23732035       0.94886004 
O       6.38136311       6.10013871     -10.49163609       0.26692175       0.89232303      -0.71882988 
O       6.46794326       7.07721902      -5.35516552      -0.30559920      -0.08780834      -0.04279289 
O       3.52560394       4.75004209      -0.77432994       0.10921300      -0.56435676       0.00324857 
O       3.46656129       3.61717121      -6.12295979       0.44242914      -0.15204890       0.29161760 
O       8.56819749       4.65532127      -0.76137022       0.94570131      -0.02843954      -0.95583622 
O       8.75184969       3.79654877      -6.05499307      -0.28508398      -0.09049784       0.35855848 
O       3.44732002       9.74217269      -0.93295608      -0.48891942       0.74848318       0.77961168 
O       3.32399470       8.74937682      -6.14416782       0.63168644       0.58046366       0.13713597 
O       8.68623695       9.84901757      -0.80599214       0.08367425      -0.23832951      -0.26671698 
O       8.54459292       8.78209094      -6.14173945       0.13287655       0.98673779       0.23950481 
O       0.94080277      -0.02522761      -1.79409446      -0.22326370       0.22104029      -0.67558576 
O       0.96899870      -0.98427870      -7.11966807      -0.16275173       0.52222405       0.09561829 
O       6.08569574       0.06008532      -1.85405910      -0.30962222      -0.81728129       0.46077367 
O       5.97288082      -0.88570487      -7.11181143       0.88638877       0.77575250       0.39329029 
O       0.77163817       5.22958419      -1.73163730       0.54325936       0.19277982       0.15564497 
O       0.99231058       4.20378301      -7.01797536      -0.17271881       0.27951132      -0.58866011 
O       6.12890856       5.22652296      -1.80584756      -0.96147787      -0.97260616      -0.07544701 
O       6.07035239       4.28686010      -7.05637873      -0.34371057      -0.40407989       0.18602953 
O       1.63844697      -0.49798564      -4.50044688       0.36222306       0.02712507       0.22886059 
O       1.70695787      -1.33683186      -9.80252365      -0.20966884       0.33276653       0.39810851 
O       6.83131224      -0.39772630      -4.47785267       0.14134068      -0.35338944       0.30667626 
O       6.99033415      -1.20885716      -9.71053768      -0.40917569      -0.83161292       0.62251063 
O       1.56584904       5.69585021      -4.72871259      -0.82567407       0.04967689       0.28509232 
O       1.80789024       3.86481371      -9.71907497      -0.44711767      -0.40761313       0.61398058 
O       6.96355223       4.71690968      -4.49460645      -0.37175890       0.13711875       0.50810500 
O       7.06306798       3.92535508      -9.56047393      -0.84823740       0.14649377       0.19387564 
O       4.38292796       4.27510571      -3.38315660      -0.07579977       0.06225185      -0.36774914 
O       4.41635083       3.24788687      -8.65644381      -0.15370301       0.45381477      -0.55031574 
O       9.59065842       4.21617320      -3.38852219      -1.63222724      -2.36394475      -0.34324224 
O       9.60332408       3.25831794      -8.59900645      -0.16918535       0.51837940      -0.97780138 
O       4.22618984       9.31736445      -3.37575295       0.45241044       0.68791520      -0.96628745 
O       4.31959194       8.44348604      -8.79940749       0.55556065       0.24424943       0.64587198 
O       9.54057584       9.39647658      -3.50872049      -0.43597624      -0.54316701       0.72885558 
O       9.50977465       8.57363179      -8.69439733      -0.61479248      -0.94779045       0.00897504 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013095676492597588 -0.00077211344488494 0.00042166793674886215 -0.00077211344488494 -0.01704390628067265 -0.001025148731217836 0.00042166793674886215 -0.001025148731217836 -0.018073231792348474" pbc="T T T" energy=-946.55157107 free_energy=-946.58490037 config_type=crystal 
Hf       2.82629240       1.99321158      -9.40524798       0.30827305       0.58445380       0.31353195 
Hf       8.01918968       2.97653118      -4.20088787       0.09808049       0.43382228       1.13771110 
Hf       7.97596792       2.19710750      -9.41444586      -1.07249921      -1.50307563      -0.49997800 
Hf       2.90652886       8.20923487      -4.11730857      -0.10756455      -0.49422545       0.25497448 
Hf       2.77569863       7.24756839      -9.42733659       0.80685366       0.88075644      -0.63627028 
Hf       8.04144579       8.27195435      -4.17128105      -0.64536888      -0.59069275      -0.36075550 
Hf       7.92204749       7.30116708      -9.29287460       1.43765448       0.10897240      -1.54946664 
Hf       0.29865895       0.86419169      -3.71417347      -0.47873196      -0.93318391      -0.35314304 
Hf       0.17290064      -0.07889241      -8.97558714       1.05807401      -0.95266885       1.04867883 
Hf       5.37365194       0.89617163      -3.77382162      -0.50849260       0.19005861       0.24905094 
Hf       5.40845932       0.01443951      -8.92006414      -0.18689317      -1.03873056      -1.27530819 
Hf       0.02123226       6.00806346      -3.42064600      -2.12068185      -0.65691141      -0.34310359 
Hf       0.28899161       4.95696301      -9.01637257      -1.06524818       0.36429882       0.41911223 
Hf       5.41362506       5.90147940      -3.71076267       0.30266750      -0.10258825       0.09843948 
Hf       5.41954868       5.09060001      -8.97815495      -0.78534924      -1.57049605      -0.25876501 
Hf       2.34413170       1.22711812      -1.16546024       0.65814065      -0.28583847       0.81358470 
Hf       2.35231541       0.35210780      -6.26195740       0.23432563       0.37132229      -0.66062577 
Hf       7.57247671       1.25320511      -1.07779181      -0.95835745       0.28308552       0.09278678 
Hf       7.60711224       0.37265753      -6.32968585      -0.16431525      -0.38064069      -0.24554588 
Hf       2.37903644       6.24923438      -1.10925775       1.15417347       0.77536694       0.13946486 
Hf       2.54026161       5.36441185      -6.50932503      -0.93834687       0.45415202      -0.13397637 
Hf       7.52865938       6.37854055      -1.08429240      -0.67078096      -0.36036305       0.46667519 
Hf       7.60072751       5.48713399      -6.29344477       0.06261571      -0.55603399      -0.17026343 
Hf       4.89059195       3.41427477      -1.65656714       0.46375430      -0.01420405       0.57326922 
Hf       4.92095312       2.57610587      -6.75562224       0.09460397       0.21038632       0.18502052 
Hf      10.14922436       3.35787653      -1.46058244       0.34221952      -0.38110101      -1.58682813 
Hf      10.15512615       2.50311179      -6.81985033       0.66819868      -0.28881972       0.93774089 
Hf       5.01103833       8.64365143      -1.57974738      -0.12198324       0.41902276       1.05887262 
Hf       4.99047988       7.67164789      -6.79803767       0.24644995       1.72650454       0.05872110 
Hf      10.16040671       8.65596464      -1.50810525      -0.06577962      -0.14080526       0.37475521 
Hf      10.20278903       7.68284689      -6.80121546      -0.27349362       0.40967660      -0.12251517 
O       1.23399809       2.25333146      -2.60233100      -0.41323229       0.60833036       0.37209283 
O       1.28671013       1.41638781      -7.98947710       0.75597640       0.34160766      -0.19696536 
O       6.52832147       2.46349949      -2.71150180       0.08949846      -0.52832747      -0.60611114 
O       6.62503309       1.44477184      -7.92309051      -0.03678029       0.99064964      -0.18858385 
O       1.28083411       7.51209877      -2.84576554       0.14262899      -0.09383971       1.29766631 
O       1.31950242       6.55757249      -7.99127385       0.08139660      -0.20361532      -0.52798849 
O       6.58129057       7.46846085      -2.70064451      -0.77976247       0.70389364      -0.25435475 
O       6.52538725       6.52663182      -7.99352444       0.02339479       1.25291224       0.68305276 
O       3.99452803       1.20618951      -5.30220193       0.77157584       0.62674742       0.15886471 
O       3.91190835       0.48426110     -10.39050212       0.15635765       0.06079908      -0.10972178 
O       9.12015666       1.44622665      -5.09896678      -0.73026807      -0.40992477      -0.48114932 
O       9.13790796       0.50225221     -10.32475680      -0.26261915       0.78217519      -1.02406291 
O       4.02485096       6.57085965      -5.25936627       0.20785194      -0.41940350       0.85776758 
O       3.97989506       5.64251333     -10.40483174      -0.48975579       0.38409450      -0.06438415 
O       9.35771320       6.63236802      -5.13172703      -1.00642035       0.30594688       0.67604320 
O       9.15022825       5.67313965     -10.35698708      -0.24691679       0.21634502       0.74919698 
O       3.90317406       1.70925834      -2.41432464       0.69286510       0.40452689      -0.57051553 
O       3.87636346       1.02502332      -7.84138777      -0.42858898      -0.28811186       0.72844952 
O       9.02629822       1.73371035      -2.52771027       0.15804884       0.97796136       0.37920144 
O       9.13173010       0.90762419      -7.74622821      -0.98927574       0.34931601       0.40064935 
O       3.85737634       7.10282188      -2.46084391      -0.04394547      -0.33945740      -0.57212506 
O       3.90127170       6.21366425      -7.85150844      -0.32634209      -0.63168055       0.09848226 
O       8.96900603       7.04533200      -2.32590940       1.47882763       0.47431512      -1.71020145 
O       9.04027701       6.15515268      -7.67881887      -0.11939493      -0.21854428      -0.59026506 
O       1.34904587       2.74677007      -0.07315285      -1.34281057       0.66049831      -0.21704185 
O       1.09355496       1.73563246      -5.37842673       0.67790850       0.47175413      -0.90047511 
O       6.49666827       2.83830243      -0.02364858      -0.39796418      -0.02986155      -0.57867501 
O       6.49337662       1.97967612      -5.34440231      -0.53354698       0.13035538      -0.16082816 
O       1.27896541       7.83687526      -0.13823243       0.13302783       0.43343117      -0.32684957 
O       1.54857268       7.14269409      -5.40741118      -0.75236986      -1.23612977      -0.52825864 
O       6.46719277       7.95125304      -0.05493696      -0.09152379       0.54247479      -0.60237135 
O       6.58402634       7.12269088      -5.37108104      -0.57225344      -0.15546740      -0.40259287 
O       3.54775677       4.60040461      -0.68386110      -0.38464320       0.98445925      -0.71931849 
O       3.50996010       3.83478303      -6.07657167       0.95270736      -1.41570346      -0.00212948 
O       8.53316058       4.56350918      -1.05530428       0.54869432       0.03848711       2.01237912 
O       8.66395195       3.70031431      -6.11239116      -0.41621039       0.68910709       0.36215560 
O       3.53885925       9.86079469      -0.71370208       0.24028850      -1.08735810      -0.66286706 
O       3.52698242       8.89127533      -5.94834377       0.43917526       0.00835317      -1.29334274 
O       8.69738304       9.85993916      -0.75623197       0.21402604      -0.43528428       0.41883375 
O       8.69511598       8.90115385      -6.08437602      -0.40100269       0.36585778       0.65990103 
O       1.02764849      -0.14528395      -1.97993371       0.48615622       0.31657744       0.83358389 
O       0.93483749      -0.91416609      -7.09170753       0.02268776      -0.54848451      -0.07279422 
O       6.07029825       0.11257872      -1.83047836       0.18501384      -0.62413068      -0.24165544 
O       6.02867151      -0.80993767      -7.14588551       0.87973235      -0.70840366       1.33255432 
O       0.91357313       5.07018682      -1.89702330       0.69315942      -0.28573019       1.50278145 
O       0.85857127       4.19060259      -7.12863420       0.98578865       0.65957815       0.15369562 
O       6.17308539       5.09486697      -1.92582199      -0.71958319       0.29897435       0.76797177 
O       6.09838125       4.30763658      -7.04721498      -0.08071318      -0.08791172       0.21967316 
O       1.67438981      -0.54379687      -4.55228018      -0.42119703       0.38062463       1.04806588 
O       1.59004482      -1.39081012      -9.71070432      -0.03254690      -0.27638878      -0.49922354 
O       6.92101270      -0.33270358      -4.44816384       0.23031478      -0.50334905      -0.01004570 
O       6.77898100      -1.32606889      -9.75425802       0.58362084      -0.62713645       0.56740854 
O       1.46751217       5.71102275      -4.77666865       1.08189065       0.56805861      -1.06105130 
O       1.79364733       3.81952864      -9.71338995      -0.41071139      -0.43139187       0.10651955 
O       7.01480173       4.81046646      -4.35243977      -0.11937752      -0.22990140      -0.97083020 
O       6.84170919       3.83931838      -9.70124970       0.77455238      -0.39791379      -0.16734780 
O       4.17651612       4.37423756      -3.27360337       0.31626263       0.14826677      -0.35065185 
O       4.33751655       3.26681512      -8.68754349       0.13438228       0.75877359       0.37171352 
O       9.51788136       4.16268982      -3.38077580       0.25151650      -0.33342941      -0.42964284 
O       9.52626685       3.20420147      -8.75599859       0.70645995       1.12610281      -0.38801747 
O       4.39801217       9.39180956      -3.51307057       0.15281433      -0.33699986       1.06255367 
O       4.23156765       8.55909221      -8.65924589      -0.24453382      -0.77013769       0.38730219 
O       9.50665600       9.34149323      -3.40011389       0.10737927       0.18224655       0.07788719 
O       9.40640108       8.52968544      -8.53583073      -0.38250686      -0.56478984      -0.91117449 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014379214189567086 -0.0024928002432127367 0.0017833766220938232 -0.0024928002432127367 -0.010366496823369452 -0.003832241352351158 0.0017833766220938232 -0.003832241352351158 -0.01341023060820337" pbc="T T T" energy=-946.82661741 free_energy=-946.86476663 config_type=crystal 
Hf       2.80801858       2.10891897      -9.40363078      -0.32053774      -0.28466199      -0.59935075 
Hf       8.09401279       3.00509698      -4.12386083      -1.31042186       0.26268393      -1.12760350 
Hf       8.06519583       2.06930764      -9.45820411      -1.51758875       2.03381919       1.22704625 
Hf       2.93617071       8.02101809      -4.17177237       0.05302386       1.54826705       0.62070433 
Hf       2.75319689       7.24175288      -9.39643158       0.38093862       0.88701754      -1.60749792 
Hf       7.95546174       8.26478505      -4.17557453      -0.34561619      -0.95677922      -0.60173391 
Hf       7.95352779       7.29926833      -9.35947068       0.88613063      -0.54657511      -0.85996868 
Hf       0.23477879       0.76699793      -3.76553173       0.46646042       0.56344425       0.54306441 
Hf       0.24378645      -0.10636248      -8.98503473       0.38100802      -0.09786982       0.90182964 
Hf       5.35208854       0.99767140      -3.72944563      -0.17065839      -1.43381458      -0.68971491 
Hf       5.35608839      -0.07399289      -8.99096913       0.19583056       0.05252349       0.82325067 
Hf       0.01102327       5.97114378      -3.39388757      -0.82535531       0.28571261       0.26115698 
Hf       0.16976776       5.04775351      -8.93916597       0.60106926      -0.39812491      -1.07294946 
Hf       5.49870828       5.90112971      -3.74174475      -0.22158343      -0.69258349       0.35732354 
Hf       5.36440000       5.00971588      -8.91664694       1.36019981      -0.20928937      -1.19430854 
Hf       2.38611836       1.25655806      -1.19829221      -0.14534802       0.21805323       0.61275923 
Hf       2.38984141       0.38368165      -6.22525554       0.67171525      -0.24748611      -0.05681456 
Hf       7.47012067       1.25920228      -1.04552970       0.99871874      -0.28972274      -1.16800533 
Hf       7.60867068       0.37194032      -6.32862624      -1.02790965       0.48241512      -0.40371008 
Hf       2.37665343       6.40220371      -1.06934492      -0.13805404      -0.27457856      -0.19830394 
Hf       2.59872177       5.33505833      -6.51241525      -0.47075509      -0.79483163       0.80357908 
Hf       7.45112191       6.38272615      -1.05778588       1.36489553      -0.22862885       1.05373932 
Hf       7.64299492       5.50416855      -6.37520810      -0.56688669      -0.81864759       0.17354526 
Hf       4.87179622       3.43228545      -1.56964729       0.74961756       0.53999078      -0.25157141 
Hf       4.93231979       2.53380841      -6.76629524       0.66716282      -0.51032044       0.29738321 
Hf      10.18440517       3.32565904      -1.48948814       0.32876334       0.80665986      -0.58877530 
Hf      10.23060541       2.51479751      -6.79938248      -0.69886607       0.42495665       0.28957230 
Hf       4.96807737       8.60066606      -1.57258336      -0.38630690       1.04254961       0.49243947 
Hf       5.03474005       7.73059837      -6.83863692       0.29462257       0.57356323       0.33600659 
Hf      10.11725706       8.69319074      -1.51849495       1.02270658      -0.78938420       0.00999138 
Hf      10.17925003       7.68804986      -6.80031672      -0.26464576       1.16393651      -0.14618632 
O       1.20932966       2.33680304      -2.64146878      -0.02331565      -0.67808753       0.04374486 
O       1.37730010       1.45118017      -7.97948632      -0.46190389       0.18744176       0.04184744 
O       6.50735001       2.42231481      -2.79773649       0.91157068       0.63402198       0.64643702 
O       6.39839925       1.51711662      -8.00219845       1.39805455      -0.54943772      -0.41399782 
O       1.33488328       7.43793513      -2.68185256       0.32139779       0.52997900      -0.19977594 
O       1.36546670       6.57725138      -8.01603497      -0.36724409       0.01593813       0.37582776 
O       6.60663946       7.49037648      -2.66182584      -1.18563613       0.56914461      -0.98953850 
O       6.52383858       6.66239939      -7.97531496       0.43257116      -0.52214910      -0.41652657 
O       4.12771467       1.10390113      -5.32588800      -0.40357571       0.42003952      -0.05925534 
O       3.96226710       0.54841450     -10.39328761      -0.85221149       0.24213926       0.22125442 
O       9.03697134       1.43887380      -5.15202351       0.35577754      -0.35739159       0.05538946 
O       9.12278852       0.57824085     -10.32052968       0.40888357      -1.01165401      -1.35400476 
O       4.17172557       6.54104373      -5.23478660      -1.17093505      -0.40405562       0.34962531 
O       3.85750549       5.63532230     -10.39067496       0.71020947       0.42687389      -0.14003747 
O       9.30476644       6.68179526      -5.12629025      -0.39383641      -0.39720350      -0.04566443 
O       9.20441499       5.75390647     -10.42357948      -0.57683566       0.01732178       0.71826323 
O       4.03111693       1.71571168      -2.32088497      -0.62902451       0.23194124      -0.78897024 
O       3.85149325       0.95605264      -7.82041883      -0.50169636       0.10145016       0.04367572 
O       9.00849434       1.82609616      -2.57431607      -0.26027720       0.11138504       0.96871446 
O       9.01980117       0.95419605      -7.83330337       0.14726832       0.26667773       0.85345348 
O       3.95380535       6.98648005      -2.55680781      -0.56795441       0.08413612       0.16713337 
O       3.92473164       6.15052789      -7.84693124      -0.39783538      -0.48352770       0.32792035 
O       8.96550325       7.02547622      -2.46907784       0.31488526       0.60389302       0.18386638 
O       9.08941864       6.12249032      -7.79892256      -0.26897583       0.22976887       0.43028296 
O       1.24938996       2.80595921      -0.10610022       0.32142423       0.26458970       0.48379491 
O       1.08410011       1.78117640      -5.33154886       0.79340981      -0.18287867      -0.94428403 
O       6.46285991       2.81097655      -0.14508742      -0.10294270       0.19334505       0.49241979 
O       6.43924516       2.15121319      -5.38054186       0.55821313      -0.87498851       0.41349983 
O       1.32377813       8.02004430      -0.16430822      -0.92728619       0.00345900       0.29389529 
O       1.46220107       7.21442848      -5.46414426       0.09683291      -1.10074241       0.04307862 
O       6.42580978       7.97771704      -0.05195805      -0.33771708       0.12068672      -0.31149182 
O       6.57331883       7.11661355      -5.48595261       0.21140627       0.01615368       1.20403592 
O       3.48706550       4.67975743      -0.80567608      -0.48765056      -0.05601502       0.18681087 
O       3.48759135       3.68065875      -5.99900857      -0.28644530       0.90853363      -0.76401014 
O       8.69724215       4.77234134      -0.74540944       0.33581862      -1.26640834      -0.39567208 
O       8.74346441       3.75060245      -6.07596473       0.06531575       0.38622910       0.28048430 
O       3.43515153       9.80000419      -0.81930184       0.79055544      -0.78415184       0.06462366 
O       3.40305176       8.72394681      -6.13126291       0.14568390       1.05272368       0.61196865 
O       8.66724588       9.83498678      -0.80440529      -0.38307225       0.62705599       0.39625256 
O       8.60497612       8.84767376      -6.10794521       0.41777251       0.85983169       0.00732896 
O       0.96355086       0.00877195      -1.89771035      -0.91161236      -0.80046844      -0.10888378 
O       0.96664167      -0.85849783      -7.02369745      -1.08623197      -0.98154017      -0.62568864 
O       6.08398788       0.11385521      -1.77944194      -0.69102706      -1.36812267      -0.34996776 
O       6.19468577      -0.87688866      -7.07660087      -1.04399017      -0.03046107      -0.45413417 
O       0.87209528       5.07045630      -1.75517929       0.62818559       0.63925512       0.14035472 
O       0.90711961       4.27041285      -7.02931547       0.54729730       0.12129592      -0.05414667 
O       6.04683634       5.13928195      -1.72827837       0.42586442       0.49436324      -0.43424949 
O       6.13891119       4.27308142      -7.13266874      -0.30214731       0.42788137       0.44879720 
O       1.71203239      -0.51482582      -4.41545294       0.43945941      -0.26824885      -0.13236022 
O       1.62280469      -1.28428039      -9.81819020       0.54585078      -0.92142881       0.59692220 
O       6.90142086      -0.27938033      -4.41563156       0.15649679      -0.40604614      -0.09337376 
O       6.85704661      -1.34483838      -9.67359578      -0.04930388       0.64935976      -0.19201804 
O       1.51648101       5.84215177      -4.76163833       0.96021588       0.21921891      -1.12965950 
O       1.72604786       3.90780269      -9.69978109      -0.10668757      -0.43529001       0.39411231 
O       7.03462694       4.83001741      -4.50734944       0.21373070      -0.42517978       0.80408490 
O       6.98410818       3.89487526      -9.62539442      -0.55254594      -0.16359592      -0.11519140 
O       4.42027296       4.23963095      -3.39747604       0.08652810       0.35056993      -0.20451486 
O       4.28041824       3.28456070      -8.76240311       0.44396402       0.77293554       0.89771102 
O       9.58642396       4.20474184      -3.36029473      -0.97269205      -1.12522182      -0.48493450 
O       9.56912037       3.29806735      -8.67644059      -0.28368692      -0.22042642      -0.20872993 
O       4.29068874       9.36684135      -3.42309631       0.33846211      -0.24803759      -0.01498933 
O       4.23763475       8.46258567      -8.66409768       0.44741516       0.59198009      -0.35425532 
O       9.48737016       9.28776088      -3.50255781       0.91779434       0.83538086       0.79893337 
O       9.51569161       8.48988180      -8.61767817      -0.41318371      -0.37951611      -0.43053760 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016123182603364577 -0.0019359681821166667 0.003332304785058065 -0.0019359681821166667 -0.021538827855800902 0.0008404137549627139 0.003332304785058065 0.0008404137549627139 -0.016819876435685412" pbc="T T T" energy=-946.60282509 free_energy=-946.63907211 config_type=crystal 
Hf       2.72710977       2.08873973      -9.36501205       0.40649535      -0.70154088      -1.15045163 
Hf       7.96991796       3.00415239      -4.04364455       1.27311701      -0.44875657      -2.06469634 
Hf       8.11651547       2.13063853      -9.41106362      -1.70611440      -0.73055713       1.06875844 
Hf       2.84922025       8.15226342      -4.16961209       0.61894256      -1.04058196      -0.01574248 
Hf       2.77634511       7.26428350      -9.43214239       0.58609970      -0.59627122      -0.92768148 
Hf       7.95490908       8.28390888      -4.21701845      -0.18172360      -0.84988604       0.13796681 
Hf       7.96986664       7.32773905      -9.36411803       0.00689138      -0.59447434      -1.02756508 
Hf       0.21203111       0.75842764      -3.70380603       0.08062265       1.06541857      -1.69040802 
Hf       0.23678215      -0.15737020      -8.94675064      -0.60804784       0.53607450       0.09662848 
Hf       5.33243935       0.88717923      -3.73750850      -0.41532908      -0.21588812      -0.10602125 
Hf       5.38562997      -0.11053287      -8.99550948      -0.25956946       1.21157631       0.06147457 
Hf      10.37511280       5.97893051      -3.34476268      -0.96673129      -1.05452210      -0.40840369 
Hf       0.24471722       5.09407462      -8.95296668       0.17466619      -0.48844585      -0.20625401 
Hf       5.45901912       5.98488460      -3.73761834      -0.66363541      -0.06286671       0.02857384 
Hf       5.34995167       4.95075746      -9.02861877       0.05187953       1.08857343      -0.03514012 
Hf       2.34731466       1.22734865      -1.16825077       0.20811188       0.52773078      -0.00958024 
Hf       2.38486342       0.31422580      -6.24533297       0.44108760       0.27756506      -0.81034211 
Hf       7.53945719       1.24319083      -1.07669701      -0.08855617       0.24136910       0.07695569 
Hf       7.58802049       0.39096827      -6.35365239      -0.10777742       1.26054837       0.04828070 
Hf       2.42025090       6.32847737      -1.11446016      -0.24647951       0.60714002       0.10621213 
Hf       2.59034200       5.36793786      -6.45436088       0.52770274       0.65645736      -0.27650524 
Hf       7.55267541       6.33535788      -1.00215347      -0.73363740       1.24378485       0.39541734 
Hf       7.63550227       5.41870031      -6.38075671      -0.57051107      -0.19209394       1.20926447 
Hf       4.94015023       3.51772564      -1.62320059      -0.43800439      -0.04141400       0.97886478 
Hf       5.01904135       2.62098817      -6.80907841      -0.18613442      -2.14339563       0.51496181 
Hf      10.10574794       3.35838481      -1.52529072       1.89032517      -0.46018912       0.05313842 
Hf      10.25882099       2.60469503      -6.78626683      -0.60741671      -0.55114479       0.73469513 
Hf       5.03476114       8.60802468      -1.57175707      -0.75513319      -0.57935738      -0.09554716 
Hf       5.08463539       7.74221465      -6.88068820      -1.45327003      -1.29581677       1.26858522 
Hf      10.17091597       8.62112925      -1.51349678      -0.49162600       0.05205710       0.57876259 
Hf      10.08902559       7.71491950      -6.77042733       1.04946604       0.65690296       0.32626511 
O       1.20179711       2.25069110      -2.67566572       0.60215688      -0.15647094       0.61176150 
O       1.36381724       1.34266943      -7.99296140      -0.11629246       0.64272877      -0.00076283 
O       6.66343417       2.49781763      -2.59698904      -1.31042224      -0.67512177      -0.22234004 
O       6.59966415       1.48577189      -7.98304717      -0.22098892      -0.36431508       0.24632915 
O       1.29564163       7.46640323      -2.76605980      -0.24602654       0.80262106       0.89741136 
O       1.38080610       6.62172012      -8.07966452      -0.34050264      -0.11107487       0.42700199 
O       6.59964222       7.63364836      -2.74660158      -0.83218633      -0.75549741      -0.00090373 
O       6.55312778       6.67549328      -7.97796457       0.33085255      -0.76112520      -0.27352123 
O       4.02037295       1.09848221      -5.25497870       0.27985028       0.64686263      -0.42487544 
O       3.87115076       0.45792289     -10.35031795      -0.33444923       0.11246888      -0.42892995 
O       9.01456248       1.42366323      -5.10252953       0.48962598      -0.13121092       0.25749470 
O       9.04595156       0.51173436     -10.44583831       0.77583561      -0.14798586       0.94288891 
O       4.00622532       6.57730835      -5.21271542       0.15491704      -0.49651600       0.20812488 
O       3.98051183       5.56323020     -10.47237486      -0.53976228       0.57116694       0.07379244 
O       9.30324291       6.68368755      -5.04516924      -1.12509867       0.17265903      -0.12618855 
O       9.09598250       5.70266107     -10.29246645       0.03081330       0.22784574       0.15141963 
O       3.95088609       1.83235441      -2.43251774      -0.00678887      -0.42299133       0.26752103 
O       3.89882572       0.90354628      -7.84081003      -0.25673503       0.46009489       0.81565277 
O       9.08220725       1.84171546      -2.49809862      -1.00775639      -0.67191561       0.00809337 
O       9.11877060       1.01842953      -7.78830721       0.00924389      -0.07759662       0.05695918 
O       3.84059092       6.94226895      -2.55194174       0.43607822       0.75388993      -0.39124780 
O       3.92785195       6.01006969      -7.88197620      -0.38240869       0.65386884       0.35813710 
O       8.94725415       7.06090575      -2.38650492       0.74440710      -0.30710518      -0.06308434 
O       9.11242950       6.18187398      -7.62861021      -0.72927490      -0.97618184      -1.10115676 
O       1.17480426       2.76844690      -0.12473540       0.38310283      -0.18248445       0.56444059 
O       1.18777426       1.76481337      -5.46313358      -0.67579018      -0.19595672       0.62911956 
O       6.45035924       2.86235888      -0.04718133      -0.60489980      -0.26869548      -0.43056051 
O       6.45807238       2.00279900      -5.29620946      -0.29928221       0.20798655      -0.03304887 
O       1.23892755       7.82287279      -0.11849784      -0.17171782       1.19762263      -0.60970524 
O       1.39139318       7.07509194      -5.57309833       0.84070074       0.51327994       0.52124936 
O       6.44959847       8.01402083      -0.10731871       0.17643665      -0.59834410       0.25726418 
O       6.45527593       7.08405902      -5.36661599       1.19276216      -0.41470188      -0.22444319 
O       3.32991478       4.58795958      -0.80385265       1.36785670      -0.91653391      -0.21877168 
O       3.58218190       3.73755683      -6.19861052      -0.48087775       0.13960683       0.79231623 
O       8.64754578       4.62730397      -0.75972016       0.30358809       0.71011843      -0.90353923 
O       8.71201070       3.71078729      -6.07818141      -0.45997634       0.86417275       0.30764776 
O       3.42218788       9.70337945      -0.87793900      -0.33508067       0.40834368       0.13831945 
O       3.40089951       8.75090249      -6.13366608       0.27347294       0.73810595       0.24738638 
O       8.66502267       9.82434718      -0.78294588       0.22096892      -0.28675816      -0.01215818 
O       8.72420746       9.01836514      -6.11187190      -0.68480394      -0.42913756       0.59552955 
O       0.81579869      -0.00691918      -1.90173522       0.87078698      -0.42671623       1.16054086 
O       0.93081447      -0.96985932      -7.01211152      -0.26644636       0.14318773      -0.90027331 
O       6.06187069       0.01798158      -1.85213266       0.32793274       0.80265779      -0.07642347 
O       6.10479227      -0.88850163      -7.05729481       0.24260049       0.80330168      -0.65921376 
O       0.92208444       5.08665174      -1.75220133      -0.80171358       0.04225964      -0.47585034 
O       0.97137226       4.33758815      -6.97583400      -0.77856900      -0.76805410      -0.72453425 
O       5.98952109       5.31843214      -1.70374659       0.26664049      -0.04232468      -0.31413479 
O       6.13034387       4.29456981      -7.13367218       0.13777444       0.10744823       0.22491353 
O       1.65485148      -0.55777359      -4.40931955       0.03408261       0.70379755      -0.30248964 
O       1.55380846      -1.39422953      -9.74630498       1.22237185      -0.49173863      -0.62502027 
O       6.80224456      -0.37572392      -4.49811334       0.64620642      -0.04321594      -0.17335917 
O       6.84949089      -1.28201302      -9.75403919       0.28280376      -0.77110486       0.48577066 
O       1.49345051       5.90067306      -4.69433609       0.52227369      -1.00751248      -0.69003232 
O       1.71152773       3.86267612      -9.70936760      -0.31850115      -0.58970566       1.00885590 
O       6.97765965       4.74787214      -4.38937117       0.52986167       0.62215828      -0.43375545 
O       6.83524008       3.78905399      -9.63626967       1.08882426      -0.25864988      -0.65693195 
O       4.54354114       4.22036058      -3.44099109      -0.14295235       0.27842343      -0.22286787 
O       4.17837536       3.26412751      -8.69252686       1.46690765       0.85453033       0.07718582 
O       9.66961084       4.04838867      -3.46302573      -0.57154220       1.15307463      -0.00328717 
O       9.48203380       3.40953653      -8.63778500       0.57131572      -0.02570112      -0.13934791 
O       4.33176500       9.34615727      -3.51628501      -0.04541906      -0.34796327       0.52314662 
O       4.29212883       8.36581440      -8.70278929       0.38448302       0.92271223      -0.44199137 
O       9.47582093       9.27971244      -3.44165735       0.29589862       0.54951800       0.43622260 
O       9.45021301       8.48746979      -8.65564902      -0.13879283      -0.14277991       0.20007098 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011506478225100312 0.0015708874523105263 0.003999639382329951 0.0015708874523105263 -0.017763902968318736 -0.004084752083532588 0.003999639382329951 -0.004084752083532588 -0.023686900612150043" pbc="T T T" energy=-946.56149067 free_energy=-946.59594476 config_type=crystal 
Hf       2.81104839       2.12516705      -9.43962070       0.61121390      -0.27289416      -0.12289909 
Hf       7.93659130       2.99550603      -4.19778148       1.08607808      -0.23304772       0.23765357 
Hf       8.04963896       2.09546326      -9.40062404      -1.02008397       0.98497182       0.35509778 
Hf       2.92016716       8.11949473      -4.15381480      -0.61326202       0.72262233       1.31502299 
Hf       2.86209227       7.19496716      -9.48360334      -0.43656272       0.68157593       0.26253811 
Hf       7.90650288       8.13284276      -4.19681007       0.82184822       1.16121605       0.07632216 
Hf       7.95386600       7.28591248      -9.49011213       1.37902748      -0.92880940       0.24280888 
Hf       0.26316051       0.90337398      -3.69375099       1.06246334      -0.73565225      -0.60070918 
Hf       0.23231484      -0.13388670      -8.97074858       0.77594858      -0.10232373      -0.41015007 
Hf       5.38034381       0.83079743      -3.80445677      -0.94476258       0.29705544       1.09115624 
Hf       5.37815821      -0.08299829      -8.95195410       0.46184605      -0.03942249      -0.56144172 
Hf      10.25082243       6.01742908      -3.33687716       1.01843449      -1.82721247      -2.77236717 
Hf       0.32622368       5.02632383      -8.88163127      -2.04708192       0.59280923      -1.54399666 
Hf       5.45846147       5.87640153      -3.70140812      -1.10667017      -0.07820286       0.13837211 
Hf       5.44221490       5.07087885      -8.86247368       0.34403313      -1.63446418      -1.18147247 
Hf       2.39433813       1.25370398      -1.04261537      -0.01739267       0.39480147      -1.76874942 
Hf       2.42330731       0.40440938      -6.35164636      -0.63786696      -0.40898848       1.11048406 
Hf       7.58939242       1.29528097      -1.08348228      -0.75874364      -0.87311236      -0.87733418 
Hf       7.51536261       0.34998642      -6.38639258       0.67902192      -0.13714070       1.06260726 
Hf       2.31525842       6.33054600      -1.08099637       1.27525664       0.93251469      -1.04965933 
Hf       2.52960179       5.38484639      -6.41629100      -0.09082118      -1.00182416      -0.02468504 
Hf       7.54224449       6.34299867      -1.04393120      -0.31652605       0.68262666       0.90446822 
Hf       7.65093539       5.47858433      -6.35039385      -0.38088688       0.13791635      -0.28222023 
Hf       4.98601881       3.48611360      -1.60917370      -0.81077995      -1.03490643       0.22605513 
Hf       4.88649423       2.53757403      -6.75494674       0.70929295       0.35014509       0.30435804 
Hf      10.19280552       3.41153958      -1.45444054       0.12788882      -0.76681079      -1.68538788 
Hf      10.19227603       2.51454579      -6.84640568      -0.19087674       0.43561515       1.29209567 
Hf       5.00698778       8.71228588      -1.51691755       0.17012053      -1.49819293      -0.19955068 
Hf       4.93734662       7.68919610      -6.81110712       1.34679026       0.45205396       0.67596844 
Hf      10.15757006       8.61719793      -1.55867733       0.82578071       0.35733190       0.70904828 
Hf      10.16536569       7.74502326      -6.86207318      -0.39355499       0.25085605       0.51733772 
O       1.32520836       2.38314978      -2.61155251      -0.98973256      -1.19166657       0.19577609 
O       1.31012310       1.53692080      -8.06897503      -0.32226131      -0.26181621       0.03309454 
O       6.46060491       2.40336565      -2.78112498       1.26150661      -0.18471001       0.16501597 
O       6.55538009       1.47219461      -7.92812733      -0.25194695       0.06073430      -0.65796984 
O       1.29630546       7.40528521      -2.67404296       0.00971651       1.01124785      -0.36615921 
O       1.36241309       6.59828752      -8.04514049       1.10831632       0.11994148       0.65145167 
O       6.54257883       7.55982257      -2.73327781      -0.60241386      -0.72645458      -0.15200686 
O       6.58794015       6.53281559      -8.01534172       0.44054672       1.16913015       0.12103052 
O       4.07564101       1.17669240      -5.34229632       0.22868123       0.14007787       0.30467165 
O       3.94344300       0.48460125     -10.37661415      -0.29961626       0.74952001       0.12969505 
O       9.07687776       1.42829505      -5.13050456       0.39934914       0.31168720      -0.48001292 
O       9.06177515       0.49822915     -10.43263613       1.27080303       0.00595166       0.71464767 
O       3.91681839       6.52378407      -5.12120009       0.35753597      -0.27476227       0.02599514 
O       4.01067309       5.60225237     -10.28772092      -0.74053720       0.85167966      -0.56408993 
O       9.13724558       6.61266531      -5.06163258      -0.10138274       0.13434322      -0.55335191 
O       9.16746752       5.70328826     -10.41747413       0.04467556      -0.35941098       0.41380534 
O       3.97164455       1.76311396      -2.38370819       0.08992708      -0.27014836      -0.05805334 
O       3.78670758       0.95306792      -7.81981684       0.75977253       0.14765066      -0.72769563 
O       9.03445065       1.79817830      -2.53573566       0.04957101       0.52237102       0.29934509 
O       9.04883695       0.88365617      -7.81983920       0.28062421       0.80083686       0.04537781 
O       3.89237138       7.05951766      -2.47682948      -0.24838622      -0.31212401      -0.03615762 
O       3.95299854       6.11122678      -7.68592566      -0.62893862       0.12723659      -0.96100998 
O       8.91356393       7.08381404      -2.48606915      -0.81267965       0.64597157       0.97395033 
O       9.15641328       6.18554444      -7.73958995      -0.76838897      -0.27060893       0.13008665 
O       1.26912331       2.88549767      -0.09661557      -0.12279992      -0.67359610       0.56742877 
O       1.25396969       1.82468522      -5.51988672      -1.37710837      -0.05962713       0.62594573 
O       6.50416466       2.84339651      -0.05703466      -0.36658410      -0.16905969      -0.27328103 
O       6.47076485       1.95851221      -5.37041909       0.06852268      -0.05288673      -0.06405695 
O       1.30262505       7.93386724      -0.09565382       0.30832805      -0.00867634      -0.03746353 
O       1.35236059       7.13009398      -5.42104734       0.29917748       0.29891810      -0.02310701 
O       6.52738572       7.98570406      -0.15730968      -0.34475717      -0.04795469       0.42214539 
O       6.42535780       6.97642609      -5.38466513       0.09064106       0.89823022      -0.01428908 
O       3.53994732       4.70384133      -0.84583441      -0.42557073      -0.34558255       0.67347095 
O       3.43455087       3.69838513      -6.12901117      -0.11814160       0.57868779       0.15655887 
O       8.69111593       4.63797209      -0.73916862       0.21209694       0.38022893      -0.13802081 
O       8.71554133       3.84471987      -6.05593287       0.61643899      -1.36436859       0.48259965 
O       3.52603285       9.82060637      -0.79237698      -0.16073103      -0.39496809       0.58325208 
O       3.59360478       8.86441222      -5.97424147      -0.56161996       0.30915683      -0.35299662 
O       8.70503570       9.75403278      -0.84430405      -1.14588438       1.72927871       0.38730173 
O       8.66750554       8.92248740      -6.07363854      -0.01548483      -0.14335345      -0.45820175 
O       0.99451197      -0.10251289      -1.77014221      -0.17082662       1.06416524      -0.88666634 
O       1.00836743      -0.89405887      -7.20231040      -0.21592114      -0.29883347       0.59073973 
O       6.10608617       0.06975917      -1.84679658       0.37818621       0.33095017       0.01218644 
O       6.05333994      -0.85732666      -7.12575820       0.32356160      -0.33800820       0.44369959 
O       0.82751821       5.15604719      -1.84890184       0.74644042      -0.84407116       1.53814475 
O       0.91758887       4.25556074      -7.08281144       0.49093317      -0.14360228       0.22873577 
O       6.15827600       5.12531911      -1.82926565       0.29333511       0.68866570      -0.23394087 
O       6.08312632       4.31415415      -7.02199929      -0.16616498      -0.62657029       0.22768146 
O       1.75701987      -0.43567024      -4.48437489      -0.54279295      -0.25610749       0.42300808 
O       1.72743881      -1.33609408      -9.75648257      -0.13202107       0.13882708       0.50892700 
O       6.89739400      -0.40667666      -4.38705348      -0.20671022       0.15915211      -1.10767000 
O       6.83783226      -1.35581202      -9.78969025       0.18792410       0.38925151       0.49612471 
O       1.38183806       5.80087001      -4.74792456      -0.07400254      -0.22996332      -0.16389427 
O       1.66244772       3.78691259      -9.80187922      -0.13966643      -0.27214911       0.92764717 
O       6.95263244       4.73953730      -4.45261819       0.11731823       0.14900857       0.09114464 
O       6.87777359       3.84158501      -9.68730041      -0.01809409      -0.33137921       0.04015746 
O       4.44239650       4.12529076      -3.42595320       0.11160342       1.11447352      -0.30878314 
O       4.26027676       3.30940177      -8.61889067       0.12677055       0.27816157      -0.36042283 
O       9.48939948       4.16066014      -3.34821139      -0.40992962      -0.20963481      -0.15713108 
O       9.35484174       3.50565955      -8.58298738       0.27807251      -1.66592327      -0.26687788 
O       4.26413551       9.38544568      -3.31372190       0.18980218       0.22612890      -1.10569122 
O       4.37663217       8.41605955      -8.72558606      -0.61296572      -0.38989727       0.25662281 
O       9.48161570       9.34652512      -3.40991356       0.27934690       0.08898221      -0.37659759 
O       9.63019858       8.40194600      -8.72944797      -1.20039663       0.28772567      -0.45367383 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011044982126355093 -0.0027695849773318572 0.0016282352620383463 -0.0027695849773318572 -0.022177822468947117 0.0018150829828910708 0.0016282352620383463 0.0018150829828910708 -0.015994086661434825" pbc="T T T" energy=-946.73140227 free_energy=-946.77276798 config_type=crystal 
Hf       2.75599416       2.08310473      -9.37128961       1.21350867       0.09402519      -0.48618647 
Hf       7.98376667       2.98544296      -4.11696027       1.22253044      -0.25202090      -0.22267979 
Hf       7.96910108       2.04008847      -9.44296860       0.21090375       0.25028087       0.03462126 
Hf       2.93299762       8.16081755      -4.10302578      -1.16196026      -0.74989294       0.40087964 
Hf       2.82432116       7.24929711      -9.43862913      -0.70383616      -0.32569001      -1.66930800 
Hf       7.93098407       8.26849550      -4.26713501       0.74939273      -0.82872497       1.05236799 
Hf       7.97094692       7.30389275      -9.37270603       0.30646257      -0.31081798       0.02085196 
Hf       0.24414097       0.82741909      -3.73958877       1.35033823       0.39223540      -0.06239446 
Hf       0.23461380      -0.08496034      -8.91491476      -0.18201504      -0.07999726      -0.87240541 
Hf       5.31443837       0.84912744      -3.76639446      -0.03106685       0.30640117       0.20553889 
Hf       5.29669975      -0.20090422      -8.94517409       1.36799416       1.43035968      -0.77469955 
Hf      10.30753744       5.97939461      -3.43391181       0.05404446      -0.19035979       0.28523062 
Hf       0.13400415       5.07241093      -8.98510109       1.02198685      -0.47511002       0.20512468 
Hf       5.45575168       5.88709663      -3.67044179      -0.84542240      -0.68406320      -0.30571378 
Hf       5.43587734       5.05596455      -8.96056595       0.29737305      -0.85155071      -0.81446733 
Hf       2.40993978       1.31522790      -1.10109848       0.28998399      -1.28767121      -0.20379182 
Hf       2.47391303       0.38445009      -6.24812949      -0.96853562       0.39618647      -0.10696201 
Hf       7.54002294       1.23461145      -1.12224687       0.11220073       0.47157812       0.56546791 
Hf       7.56901093       0.40103282      -6.32332670      -0.18685582      -0.12290700      -0.73650624 
Hf       2.34241741       6.30145077      -1.00797279       0.15014176       1.44336332      -0.89628221 
Hf       2.52336606       5.39393391      -6.52653927       0.12992306      -0.86800145      -0.20221602 
Hf       7.58712973       6.30062906      -1.05328512       0.29752244       0.40442554      -0.09516344 
Hf       7.61619253       5.46881244      -6.33697998       0.77803828      -0.24207686       0.20461880 
Hf       4.93885383       3.42798758      -1.61177165       0.07507614       0.14808879       0.28033487 
Hf       4.98268831       2.58727860      -6.76033690      -0.01359721      -0.94076119      -0.24004349 
Hf      10.22070949       3.33906616      -1.52543605      -0.05328931      -0.16777733       0.40677323 
Hf      10.20353038       2.55996349      -6.81973650       0.12266451      -0.15095136       0.62254532 
Hf       5.14737417       8.58592530      -1.56618903      -1.69070807       0.29732463       0.51804616 
Hf       4.94931603       7.69974820      -6.78813100       1.21809032       0.08095048       0.04187875 
Hf      10.07839850       8.71365997      -1.56514307       1.78903880       0.01792825       2.00022150 
Hf      10.22189949       7.82165677      -6.84965687      -1.13247251      -1.25543289       0.56539532 
O       1.32288893       2.31289401      -2.59232058      -0.46313438      -0.30970419      -0.13884094 
O       1.33896656       1.53640160      -7.98060095       0.00119481      -0.60354601       0.07192701 
O       6.55767541       2.28146287      -2.75010920      -0.40407850       0.89773006       0.50104534 
O       6.51130290       1.42651038      -8.02531790       0.33688851       0.24317707       0.77651597 
O       1.27934040       7.43687677      -2.70193230       0.23766179       0.21832582      -0.25219756 
O       1.38564922       6.77657755      -8.02637290      -0.38224947      -1.36489015       0.21034538 
O       6.58123405       7.36375912      -2.66728856      -0.23930758       1.26373043      -1.07245875 
O       6.54029878       6.58462643      -7.98351256       0.17159716      -0.09160152       0.11223816 
O       4.03456204       1.24683231      -5.30374898       0.53713678       0.24780480      -0.01517489 
O       3.95538561       0.56485794     -10.41159895      -0.51183497      -0.23551958       0.09888145 
O       9.08540798       1.33146380      -5.08910642      -0.55118182       0.40235266      -0.44765702 
O       9.08179580       0.52764329     -10.41267400       0.93747811      -0.38449660       0.33610504 
O       3.95701906       6.68908390      -5.21000942       0.88703698      -1.89181815       0.71325453 
O       3.92605359       5.66399798     -10.39684027       0.54538090      -0.30753240       0.22301830 
O       9.16157830       6.73410277      -5.11276781       0.81501754      -0.65054358       0.63370333 
O       9.13403695       5.67977868     -10.32847747      -0.75641289       0.43099541      -0.35449806 
O       3.97480299       1.74345167      -2.45532375      -0.02574053      -0.11290272       0.54013056 
O       3.83172073       0.99537464      -7.83906882      -0.09894280      -0.39723403       0.35855191 
O       9.02231946       1.89050790      -2.54423557       0.07721424      -0.54976966       0.27258553 
O       9.08218273       1.01597782      -7.81000131      -0.60897525      -0.45598532       0.75925083 
O       3.91648434       7.07765672      -2.44773551      -0.23912801      -0.72399271      -0.58284366 
O       3.94661973       6.09341135      -7.87819064      -0.56302884      -0.22241712       1.10455982 
O       8.98988688       7.18095225      -2.40337967       0.00572680      -1.17488570      -0.90636938 
O       9.10766389       6.16701259      -7.68620991      -0.15205734      -0.28430521      -0.57764840 
O       1.24612408       2.72979544      -0.00409197       0.21261400       0.85631622      -0.29388493 
O       1.15363300       1.79003250      -5.42162078      -0.10598621      -0.28212703       0.10010730 
O       6.53441590       2.78382177      -0.06602400      -1.27340521      -0.22736043      -1.02227215 
O       6.50338809       1.96634782      -5.25849388      -0.23425252       0.05410600      -1.18436840 
O       1.22171967       7.96572129      -0.10891385       0.10201111      -0.53259696       0.16103756 
O       1.50458028       7.14442741      -5.53842939      -0.23502440      -0.30932480       0.70511005 
O       6.52108889       8.00100026      -0.06316574      -0.60466493      -0.40594977      -0.40585957 
O       6.51146571       6.98963678      -5.44543233      -0.47987689       0.68777505       0.89611196 
O       3.42312892       4.61605066      -0.83435905       0.16829873      -0.20689982       0.03176532 
O       3.60526238       3.78824474      -6.07823307      -0.79277452       1.06052098      -0.40231216 
O       8.64345824       4.56665596      -0.95179235      -0.28869128       0.44018031       0.24215604 
O       8.77103589       3.75396474      -5.99821840      -0.57091918       0.22610649      -0.08325374 
O       3.60398074       9.82365841      -0.78571866       0.08458860       0.06579151      -0.40617819 
O       3.52492420       8.86216481      -6.02883149      -0.44206625       1.10314973      -0.55837289 
O       8.67835467       9.89392973      -0.66644031       0.73298623      -0.66641225      -0.70482881 
O       8.67056725       8.93656663      -6.07347158      -0.50732215       0.84325300       0.03366640 
O       0.91868328       0.04907398      -1.78279352      -0.06943944      -0.39707345      -0.65125877 
O       0.86383416      -0.81743537      -7.05612063       0.88775856       0.48857127      -0.22228058 
O       6.27474663      -0.06922560      -1.99950291      -0.43387473      -0.38553310       0.46186725 
O       6.06015795      -0.84180734      -7.15081344       0.14341982      -0.67025269       1.03208931 
O       0.76682767       5.14973512      -1.65927178       0.32826128       0.47304582      -0.49472382 
O       0.87754011       4.30289881      -7.10166828       0.68396523       0.44681942       0.10820172 
O       6.10488994       5.16553591      -1.78223216      -0.84806708      -0.82941023      -0.06880863 
O       6.21482819       4.21758763      -7.05410788      -0.36504429       0.28063774      -0.37131314 
O       1.72821507      -0.54219588      -4.48729437      -0.73522876       0.91371566       0.60056948 
O       1.64983442      -1.38498398      -9.77918872       0.11306916       0.52187125       0.63503003 
O       6.75497724      -0.46288042      -4.51190491       0.52216683       0.14951414      -0.95130304 
O       6.78028841      -1.39691233      -9.74356874      -0.17863627       0.39563922      -0.12808063 
O       1.48437645       5.82320434      -4.80119634      -0.37870847       0.02493917       0.21478000 
O       1.72588889       3.80449948      -9.63599928      -0.29226737       0.89560472       0.01489425 
O       7.08724297       4.79342820      -4.30984089      -0.22939358       0.25225701      -0.42435439 
O       6.99117774       3.86288812      -9.76024535      -0.73462557      -0.42590270       1.42394597 
O       4.41624849       4.13802200      -3.42205360       0.54165268       1.21353467       0.00939456 
O       4.37011672       3.25905133      -8.72406505       0.11318919       0.75637356       0.29912475 
O       9.73727389       4.05493248      -3.46276384      -0.41793903       0.69702297      -0.47112632 
O       9.54503848       3.22326545      -8.77607214       0.24599665       1.24423476       0.04789400 
O       4.34673544       9.33813414      -3.48202643       0.72297498       0.39565909       0.77167494 
O       4.29577936       8.35198849      -8.68320623       0.16490419       1.02633200       0.43129934 
O       9.50403536       9.40628598      -3.36140044      -0.93116838       0.01494132      -1.20739240 
O       9.44872148       8.53178407      -8.61908335      -0.01187492      -0.08442683      -0.16768180 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013542912328333483 -0.00017014516156395033 0.003743065603469827 -0.00017014516156395033 -0.016254243640752047 -0.004479403111260279 0.003743065603469827 -0.004479403111260279 -0.01288019308988284" pbc="T T T" energy=-947.09659377 free_energy=-947.13507726 config_type=crystal 
Hf       2.81084069       2.23513959      -9.34251181      -0.41299851      -1.28578339      -0.91145964 
Hf       8.04018878       2.93347613      -4.09093604      -0.62017525       0.58970178      -0.34761735 
Hf       8.08038467       2.12428157      -9.41969626      -0.38933264       0.42894533      -0.72619846 
Hf       2.86627904       8.09930885      -4.10558603      -0.45271149       0.26947743      -0.69142580 
Hf       2.81957071       7.21617828      -9.43188334      -0.60328940      -0.20081033      -0.24554925 
Hf       7.91071656       8.17126486      -4.23386160       0.79922396       0.12729789       0.13268838 
Hf       7.99297122       7.29293013      -9.38220560      -0.06303353      -0.77441022      -0.22681972 
Hf       0.29898500       0.78969009      -3.73925821       0.47269628       0.03037605      -0.17182984 
Hf       0.33346176      -0.05786258      -8.95145606      -0.70187849      -0.50339385      -0.04240851 
Hf       5.29201300       0.92871885      -3.75951374      -0.36230358      -1.48802714       0.19320959 
Hf       5.37982003      -0.04829662      -8.95037975      -0.25720634      -0.18802232      -0.64501424 
Hf      10.31489938       5.95182836      -3.42043021       0.36842864       0.00357752      -0.46199036 
Hf       0.26470326       5.08510156      -9.02675229      -0.92385041       0.15853103       0.28884711 
Hf       5.38966151       5.88098186      -3.73001581       0.24337772       0.01867398       0.47953626 
Hf       5.42253277       4.97430544      -8.96720221       1.04142598       0.41979770      -0.40555541 
Hf       2.45942522       1.24092835      -1.03102104      -0.48198889       0.68490774      -1.06311190 
Hf       2.44663570       0.39796519      -6.26755872      -0.31522791      -0.49820607       0.13458616 
Hf       7.51824966       1.22528763      -1.09646090      -0.90332492       0.63377918       0.34295680 
Hf       7.56023913       0.39931505      -6.39161820       0.60452430      -0.47919942       0.58692198 
Hf       2.33528457       6.41343551      -1.14468358       0.61766085      -0.06934860       0.28344090 
Hf       2.63245979       5.31187260      -6.43800380      -0.97412547      -0.18482085      -0.65093852 
Hf       7.47774559       6.33298329      -1.06245581       1.10554495       1.13554965      -0.26221476 
Hf       7.57291040       5.40839969      -6.34148148       0.73388198      -0.14000889       0.37095785 
Hf       4.93559045       3.50290174      -1.62155861      -1.23746699      -0.29452870       0.60162952 
Hf       4.98276208       2.48910333      -6.76175143       0.31538035       0.15481242       0.37032852 
Hf      10.21910232       3.39404132      -1.49049609       0.29121334      -0.70384885       0.04072963 
Hf      10.20129398       2.56949632      -6.75849467       0.94632052      -0.35966446      -0.47262206 
Hf       4.95629374       8.58598938      -1.50569043       0.88021810      -0.15600501      -1.07377193 
Hf       4.98643577       7.68806708      -6.82453621      -0.33068635       0.43027742       0.24878354 
Hf      10.05772992       8.70182046      -1.55430762       1.41370974      -0.60032960       0.00229018 
Hf      10.12506869       7.73662044      -6.84689899       0.42543956      -0.13860159      -0.05331022 
O       1.27028588       2.20855749      -2.55636626      -0.64862750       0.18539304       0.23621509 
O       1.34571319       1.44647499      -7.94676481       0.65032445       0.83926754      -0.61759183 
O       6.45517504       2.33388576      -2.72618246       0.70090905       0.45531687      -0.15241870 
O       6.54625408       1.52471610      -8.05378552       0.22490693      -0.70840081       0.68085171 
O       1.31133399       7.58336434      -2.81922121      -1.01982332      -1.25378140       1.13380942 
O       1.31470460       6.61254525      -8.08104934       0.03967954       0.06025935       0.59056637 
O       6.56043985       7.47231756      -2.74276824      -0.78449536       0.34097923       0.00511145 
O       6.42360507       6.54915370      -8.01890268       0.85621330       0.66207156       0.65419444 
O       3.98255145       1.32307430      -5.28289493       1.24356880      -0.25651246       0.71876755 
O       3.92573669       0.57419180     -10.30974999      -0.30942548       0.01516853      -0.21780429 
O       9.05130184       1.41586716      -5.08933019       0.73731568      -0.50502016      -0.34119124 
O       9.13322880       0.55093097     -10.41199912       0.39074756       0.09485391       0.12102768 
O       3.95286617       6.52738037      -5.18045185       0.16032528      -0.54138942      -0.26632188 
O       4.05777978       5.61351003     -10.41593653      -1.33394348       0.21223145      -0.37085456 
O       9.16584175       6.62893793      -5.18840720      -0.01776309       0.03083466       0.51479171 
O       9.16516825       5.69801833     -10.44361523      -0.34794890       0.48100867       0.20980984 
O       3.96712165       1.73620666      -2.33883488       0.36623390      -0.03266778      -0.37713505 
O       3.88614634       0.96819255      -7.77798324      -0.21901813       0.23917777      -0.01037547 
O       8.94876189       1.93223635      -2.46655717       0.46530954      -0.43941002      -0.02556689 
O       9.09226090       1.02264957      -7.87361102      -0.33064374       0.06927686       1.22381710 
O       3.80813746       6.95791961      -2.57566130       0.51074967       0.33295491       0.76731514 
O       3.88228385       6.10920046      -7.86154081      -0.13493383      -0.23341227       0.55920065 
O       8.96962633       7.07610801      -2.54091707      -0.26545872       0.32687711       0.60162980 
O       8.95771292       6.12115172      -7.81129393       0.27139352       0.17314102       0.48030705 
O       1.35426586       2.86507026      -0.03427128      -1.03117705      -0.20295857       0.00889646 
O       1.23254199       1.78218044      -5.41053437      -1.37054550       0.37135404       0.20335272 
O       6.38082625       2.86270264      -0.10333836       0.89260136      -0.65292038      -0.34257180 
O       6.53031620       1.98932360      -5.35276834      -0.62876080      -0.42706259      -0.02308945 
O       1.25743423       8.01995007      -0.13945092       0.13716803      -0.43426069      -0.75005841 
O       1.41927565       7.23924086      -5.54330828      -0.07675496      -1.02771071       0.52541116 
O       6.48379646       7.94978458      -0.04804448      -0.08380934       0.58047507      -0.74355214 
O       6.46337652       6.95114713      -5.35301972      -0.06188687       0.51975925      -0.84515504 
O       3.34839070       4.61740281      -0.78014600       0.93174696       0.35851028      -0.37410614 
O       3.57759957       3.70439619      -6.11427759       0.02581054       0.50537472      -0.05362335 
O       8.68513122       4.71542393      -0.91735011       0.35183221      -0.78601770       0.36494462 
O       8.77102114       3.71592851      -6.00403016      -0.81375665       1.16751379       0.19592043 
O       3.49426151       9.74936709      -0.77929378       0.30440093      -0.18863201      -0.33071170 
O       3.52884446       8.82368632      -5.95423439      -0.14834159       0.74443923      -1.08081442 
O       8.71707816       9.89822442      -0.73030204      -0.48600812       0.14147439       0.11980397 
O       8.75647753       8.97384638      -6.11646392      -1.13439348       0.47196445       0.43930369 
O       0.97912560      -0.07429987      -1.86327158      -0.17718835       0.30426380       0.21243974 
O       0.93748400      -0.78653004      -7.08550515      -0.35649735      -1.59061601       0.10405938 
O       6.10258724      -0.05701924      -1.90530847       0.40792857       0.32752261       0.51358969 
O       6.01571939      -0.82561614      -7.02304736       0.30942708      -0.09946799      -0.47846038 
O       0.97981718       5.07762759      -1.77923781      -0.82331726       0.87030190      -0.99883344 
O       1.01896075       4.18711415      -7.15183126       0.11103944       0.33686763       0.27738018 
O       5.96015593       5.26199231      -1.66982298      -0.65037600      -0.48070221      -0.91355942 
O       6.25737998       4.13148456      -7.10171701      -0.60148444       0.55130266       0.01775048 
O       1.74446715      -0.46390794      -4.39139746      -0.23438890       0.08558687      -0.45755800 
O       1.73631025      -1.32845089      -9.75074610      -0.60696724      -0.06638534       0.65051419 
O       6.87426728      -0.45573808      -4.54250340      -0.77276552       0.98640287       0.05522878 
O       6.87586780      -1.29446073      -9.64548005      -0.05155180       0.00706197      -0.26805942 
O       1.28147955       5.81495299      -4.92745894       0.69133822       0.86257254      -0.59371106 
O       1.73176242       3.95425933      -9.73802244       0.52558954      -0.59505516       0.17707759 
O       7.00469322       4.73457782      -4.24092114       0.35184270      -0.09584842      -1.04980748 
O       6.91895812       3.83368723      -9.75358997       0.03252993      -0.57044830       0.97127459 
O       4.35272088       4.23872093      -3.46296168       0.24337458      -0.28285375       0.59553237 
O       4.33909504       3.31272383      -8.66166932      -0.07516969       0.00404032       0.16598941 
O       9.62335086       4.12970742      -3.45030312       0.10066229      -0.38927512       0.12940487 
O       9.54318880       3.38938086      -8.76300973      -0.36298810      -0.77714090       0.48576403 
O       4.24017237       9.34542266      -3.49489521       1.34499573       0.69715179       1.32456924 
O       4.17429063       8.46205498      -8.69261402       1.49969313       0.84142852       0.87054423 
O       9.44148838       9.38696464      -3.43402763      -0.14474441       0.06088803       0.10117315 
O       9.49620721       8.48226765      -8.61653507      -0.03139980       0.35379339      -0.97643205 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016513989591727292 0.0008089676089224333 0.006109126892085531 0.0008089676089224333 -0.014864308622921082 4.664364654296671e-05 0.006109126892085531 4.664364654296671e-05 -0.016996721676292233" pbc="T T T" energy=-946.66161975 free_energy=-946.69040502 config_type=crystal 
Hf       2.73845119       2.21478743      -9.40379585       0.93205892      -0.30459315       0.70305082 
Hf       7.99671246       2.94773769      -4.08669758      -0.54763320      -0.07955152      -1.10606771 
Hf       8.07016457       2.03686859      -9.40739356      -0.61447424       0.89057456       0.46630363 
Hf       2.83277533       8.04932501      -4.16030080       1.10708812       0.46623513       0.45195201 
Hf       2.81134680       7.28368658      -9.37850939      -0.31474945       0.70568690      -0.77389379 
Hf       7.99499795       8.24534941      -4.16938381      -1.29499413      -0.42804002       0.44693343 
Hf       7.95255059       7.23636881      -9.46556848       0.13780746       0.71435936       0.24803130 
Hf       0.33841097       0.79917097      -3.75803872      -0.42942325      -0.01168046       0.15797286 
Hf       0.27011224      -0.05487371      -8.89370337       0.18961163      -1.12678783      -0.59343864 
Hf       5.25751597       0.79383382      -3.73312608       0.31684663       0.26411158       0.22731222 
Hf       5.36102243      -0.04565581      -9.04067470       0.65767406      -0.40666718       0.41058448 
Hf      10.25689712       5.94990832      -3.46861446       1.54248403      -0.36729056      -0.15677942 
Hf       0.22996591       5.05106352      -8.90387403      -1.13113406       0.41645027      -0.30148627 
Hf       5.43075825       5.92015374      -3.79081147       0.26367121       0.49858628       0.54083079 
Hf       5.48481511       4.99297959      -8.91995294      -0.75978718       0.42672927      -0.14863883 
Hf       2.44410442       1.38614472      -1.14890009      -0.98737927      -1.56361350       1.14648775 
Hf       2.44656276       0.34039942      -6.26094472      -0.38401159       0.10292544      -0.95068028 
Hf       7.58981115       1.23124543      -1.15197382      -1.94465774       0.12932327       0.41809166 
Hf       7.60032624       0.37625242      -6.33472698      -1.29078688      -0.31094352      -0.17934795 
Hf       2.33044228       6.43542395      -1.13885229       0.52263137       0.32959281       0.69324766 
Hf       2.56588730       5.36345686      -6.50926864      -0.33804507       0.00260864       1.25562763 
Hf       7.57326461       6.29893299      -1.05295834      -0.56863367       1.17720309       0.71451188 
Hf       7.58007794       5.41273663      -6.38578712      -0.11505658       0.82194409       0.43860427 
Hf       4.96216716       3.53430433      -1.57437592      -0.90176634      -0.72953133      -0.53787930 
Hf       4.99155403       2.41533164      -6.75724111       0.07960987       0.98974658      -0.11814304 
Hf      10.20032259       3.35995975      -1.43918939       0.88934729       0.48430564      -0.76265969 
Hf      10.18225542       2.54977606      -6.70635454       0.33911603       0.37396255      -0.59210848 
Hf       4.96467247       8.63040507      -1.50451678      -0.63164732      -0.70057984      -0.50431592 
Hf       4.99153024       7.70627414      -6.81635279       0.69029335       0.65866882       0.32157832 
Hf      10.22207477       8.68499791      -1.57497917      -0.83502125       0.01786162       0.24868521 
Hf      10.08469336       7.80618479      -6.81456328      -0.19300803      -1.63238458      -0.48163028 
O       1.17473569       2.31473491      -2.55261713       0.48113115      -0.05311399       0.14769863 
O       1.36688134       1.44702982      -7.92777272       0.07759095       0.35476017       0.23812514 
O       6.49479802       2.39149268      -2.69044183       0.18780731      -0.16740838      -0.68690110 
O       6.51616181       1.53341271      -8.06895330       0.12960392      -0.58430521       0.61367468 
O       1.32500762       7.57439631      -2.84079928      -1.42906731      -0.39693524       1.34208688 
O       1.34393167       6.65267812      -7.93118499       0.10880057      -0.48559585      -0.90324013 
O       6.48853984       7.60255067      -2.84358918      -0.26085836      -1.07516725       1.05471590 
O       6.59139773       6.57667839      -7.99097690      -0.41357195      -0.02512601      -0.20246972 
O       4.05099939       1.22422451      -5.35647242      -0.03216849      -0.32115998       0.88887244 
O       3.92006151       0.68264197     -10.41162289      -0.14986236      -0.18661517      -0.20848884 
O       9.04847828       1.37700472      -5.12140706       0.66864462       0.57412192       0.36991952 
O       9.21864523       0.52112452     -10.38129961      -0.77702810      -0.38054661      -0.09392504 
O       3.99735814       6.45461635      -5.17153706      -0.28722087       0.83276347      -0.29791357 
O       3.88557030       5.76661424     -10.34193628       0.10079302      -0.81442469       0.09058258 
O       9.19923304       6.69491118      -5.06355209      -0.28386101      -0.51379898      -0.73558212 
O       9.04256537       5.74577606     -10.32426989       0.63484342      -0.74575144      -0.93923611 
O       3.88559586       1.79666829      -2.40662614       1.29171738       0.53829819      -0.71406421 
O       3.88426497       0.86027975      -7.82476177      -0.29724386       1.17581578      -0.15488103 
O       9.03568252       1.82259258      -2.48874239      -0.00640161       0.59950068      -0.41216564 
O       9.05876093       0.97418969      -7.76207527      -0.05731623       0.01955367       0.29242507 
O       3.76566412       7.02169472      -2.49133950       1.05564581       0.02461245      -0.26179077 
O       3.88828061       6.22193270      -7.77070781       0.56539979      -0.55981247      -0.74903959 
O       8.97333026       7.07442886      -2.50060627      -0.76434951       0.20545750       1.38609033 
O       9.10183629       6.04212008      -7.77690494      -0.57547138       0.71056584       0.97432984 
O       1.24504484       1.09629600     -10.43739468       0.28436896       0.49134552      -1.31294616 
O       1.17619054       1.79316019      -5.38251104      -0.17352388      -0.13515695      -0.06752225 
O       6.49674744       2.83796579      -0.10692273      -0.13034985       0.17083047      -0.41885257 
O       6.52458762       1.90180601      -5.37869985      -0.32825084       0.39424252       0.32562335 
O       1.20306732       7.93746956      -0.18423728      -0.03473052       0.42745475       0.64724800 
O       1.39057048       7.14018602      -5.39772691      -0.23766904      -1.31311615      -0.41668410 
O       6.32731872       7.94499605      -0.07270280       1.33244155      -0.55652201      -0.30550058 
O       6.49584889       7.00198307      -5.42026368       0.07752997       0.09389971      -0.01338685 
O       3.51272080       4.78909585      -0.71648159       0.11974798      -0.16025788      -0.15544594 
O       3.61526875       3.77950499      -6.11548369       0.17628748      -0.28323274      -0.00302412 
O       8.71955208       4.67288034      -0.72275894      -0.01635188      -0.00313528      -1.06651994 
O       8.70619391       3.82553886      -6.06046997       0.82292204      -1.37460550       0.83266555 
O       3.44861403       9.78745925      -0.83974459      -0.46433200       0.90130163       0.30753124 
O       3.43466226       8.73493687      -6.11422960      -0.10192483       0.82009678       0.27417925 
O       8.54226633       9.81017585      -0.90421892       1.41356490      -1.27726161       0.01275073 
O       8.59392864       8.92648477      -6.00327832       0.39174450       0.20289437      -1.20540766 
O       0.93082102      -0.00939818      -1.86523729       0.47794526       0.32826829       0.08764715 
O       0.81837371      -0.89953116      -7.07227074       0.66271057       0.52011095       0.42544636 
O       6.00821645       0.01356317      -1.89524093       0.92290179       0.74452672       0.78642088 
O       6.08254145      -0.83995133      -7.14316827       0.30299447       0.09850881       0.25197859 
O       0.84974783       5.23145816      -1.72597234      -0.73405048      -0.80719734      -0.48811330 
O       0.97272685       4.23817770      -7.03448690      -0.42568292      -0.31882362      -0.19744431 
O       6.16267993       5.11765012      -1.86057671       0.51664730       0.99272816       0.22140887 
O       6.20100661       4.18601596      -7.05857640      -0.64987530       0.21135573      -0.64724005 
O       1.73973697      -0.51807165      -4.54340005      -0.32348268       0.23303256       1.02431118 
O       1.75650732      -1.22300927      -9.67000038      -0.23225159      -0.30578054      -0.24250068 
O       6.82940500      -0.38581951      -4.38764288       0.30022636       0.12056072      -0.74780316 
O       6.85569889      -1.29253700      -9.80857492      -0.06589641      -0.38813766       0.58920064 
O       1.48829879       5.74462823      -4.70554420       0.29495076       0.68791149      -1.00403123 
O       1.68490343       3.92533477      -9.64478711       0.94446611      -0.66621966      -0.33826091 
O       6.74089361       4.55555266      -4.46220070       1.27363191       0.42011226      -0.23955435 
O       6.94480336       3.82670156      -9.62651126       0.18628906      -0.18019403      -0.82330345 
O       4.19650009       4.43291239      -3.35447845      -0.10351972      -1.06657983       0.86163371 
O       4.27384794       3.40704077      -8.53388560      -0.75767831      -0.76602047      -0.63844857 
O       9.65105502       4.09684450      -3.51677791      -0.96667628      -0.41813160       0.68162839 
O       9.57371299       3.27078186      -8.71499108      -0.02128168      -0.03462846       0.59223642 
O       4.28115377       9.30333651      -3.39997266      -0.37785141       0.34643295      -0.85143052 
O       4.25420924       8.52048853      -8.68884987       0.49389822      -0.23192524      -0.25069988 
O       9.53880430       9.30223843      -3.51508773       0.81881542       1.03487687       0.57763566 
O       9.47514649       8.40666427      -8.71584141      -0.02634460       0.53565761       0.27723180 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012630013293975038 0.0017649573045124289 0.004274281899445378 0.0017649573045124289 -0.015473508281266266 0.00046084809902626194 0.004274281899445378 0.00046084809902626194 -0.014083910055267736" pbc="T T T" energy=-946.61602006 free_energy=-946.65452705 config_type=crystal 
Hf       2.87254033       2.12153515      -9.31956152      -0.34416180       0.67949480      -0.27571951 
Hf       7.94793480       2.92597859      -4.14389553      -0.45393935       0.51510124      -0.29445057 
Hf       8.09011259       2.11019807      -9.37187355      -1.01795805      -0.04811260       0.07284805 
Hf       2.78878157       8.14173036      -4.18692262       1.09121636       0.62357115       1.56328195 
Hf       2.80632631       7.25089901      -9.39848760       0.09937131      -0.21258633      -1.27182563 
Hf       7.96163950       8.24129524      -4.11981663       0.06398145       0.52077822       0.01394933 
Hf       8.00391407       7.19985021      -9.48971164       0.23956389       0.39862861       1.86511654 
Hf       0.25916939       0.90115909      -3.80070774       0.14338504      -0.95936083       1.77297789 
Hf       0.24625394      -0.05865048      -9.00895747       0.66027684      -0.81047607       1.84398451 
Hf       5.31329471       0.85993836      -3.76441919      -0.59183106      -0.01738202       0.21468651 
Hf       5.40555856      -0.08880892      -9.02173501       0.20789250      -0.12770311       0.53375993 
Hf      10.29129315       5.90247250      -3.53263316       0.27730559       0.76157751       1.75431424 
Hf       0.18713742       5.04914745      -8.97550177       1.18803261      -0.36813223       0.19309255 
Hf       5.35115861       6.00427529      -3.79561370       0.44022001      -0.75885771       1.31584628 
Hf       5.43725821       5.00287407      -8.97375836      -0.00300578       0.21806186       0.56645451 
Hf       2.44190438       1.32093499      -1.12156727      -0.61812956      -0.70935937       0.13835925 
Hf       2.38465250       0.43873036      -6.29151990       0.06718375      -0.60124765       0.01023663 
Hf       7.59071688       1.21018604      -1.03545754       0.11489848       0.04414017      -1.00536614 
Hf       7.55221304       0.29509181      -6.34251547      -0.39772281       1.76392353      -0.57364315 
Hf       2.41922423       6.29744199      -1.06752801      -0.03967776       0.86625653      -0.26723352 
Hf       2.56775485       5.37569052      -6.52087788      -0.67389707       0.09733528      -0.56017217 
Hf       7.57568357       6.31154048      -1.05797311      -0.31383677      -0.10666209       0.50583373 
Hf       7.58887790       5.43692661      -6.35866138      -1.07299814      -0.11115954       0.28345662 
Hf       4.91997082       3.38931658      -1.60158472       0.39331164       1.53340546      -0.01168258 
Hf       4.86844701       2.53897575      -6.75759204       2.14058645      -0.38990449       0.95456362 
Hf      10.26132390       3.41525581      -1.47622852       0.08106698      -0.84925550      -0.88130837 
Hf      10.16366105       2.54381194      -6.70946545       0.31216752       0.52113297      -1.27594243 
Hf       5.03341767       8.64524048      -1.48147514      -1.29814940      -0.36406773      -0.77181063 
Hf       5.01906951       7.74826916      -6.73680246      -0.23472663      -0.06773651      -1.86218370 
Hf      10.22770081       8.69252581      -1.52602902       1.51895236      -0.97534074      -0.47585955 
Hf      10.09806234       7.71223632      -6.81385775       0.52325560       0.84882806      -1.05281698 
O       1.26221335       2.27512487      -2.60664117      -0.51547384       0.22103365       0.35655880 
O       1.37768839       1.54640234      -7.90787936      -0.27931303      -0.78991099      -0.38006601 
O       6.47836971       2.35570185      -2.76063036       0.14427840       0.35115015       0.19418166 
O       6.54556302       1.51326439      -8.07474006      -0.09454444      -0.98709864       0.66478348 
O       1.29741089       7.48288699      -2.69330502      -0.26129786       0.10429588      -0.12174416 
O       1.42546338       6.63259141      -8.03531772      -1.29106114      -0.40278054       1.08918776 
O       6.54873903       7.43620008      -2.70223671       0.05297907       0.88886074      -0.00836633 
O       6.58127613       6.70973983      -7.95096043      -0.51948815      -0.84210061       0.20819457 
O       3.96152980       1.25871384      -5.23364120       0.41491981       0.06305163      -0.42148408 
O       3.92263872       0.65480352     -10.39958113       0.53257483      -1.47412817       0.23700593 
O       9.08488691       1.47020781      -5.14873494      -0.35817513      -0.60853966       0.31161777 
O       9.18604080       0.48374890     -10.37367167       0.23584187       0.11819107      -0.09477000 
O       3.96784253       6.58138419      -5.31633341       0.09750234      -0.25539279       0.81639163 
O       3.92854373       5.64611990     -10.39095511       0.30442657       0.06053270      -0.65668873 
O       9.21095849       6.70861035      -5.10522062      -0.60105748      -0.60928730      -0.20483631 
O       9.14717559       5.59753514     -10.36959514      -0.32964306       0.52458573      -0.47886952 
O       3.93830095       1.76602545      -2.40506942       0.36309016       0.07290009      -0.14769399 
O       3.92625433       0.98495088      -7.84757146      -0.79609509      -0.59907649       0.74736146 
O       8.99452615       1.85260605      -2.57144384       0.14683435       0.23157960       0.85928048 
O       9.05472378       1.06177510      -7.73905253       0.30128952      -0.82252270      -0.09055995 
O       3.87415719       7.01127556      -2.58483450      -0.17177994       0.24278011       0.41028139 
O       3.92547735       6.02646424      -7.94003803      -0.32834868       0.52528660       1.54270087 
O       9.02243677       7.11251012      -2.43489991       0.08776617      -0.36641277      -0.65456908 
O       8.98596091       6.05392800      -7.82482236       1.01200678       0.71106957       0.55769264 
O       1.38926411       2.95312540      -0.01058658      -1.38230846      -1.00423254      -0.58332209 
O       1.10295132       1.81252351      -5.37927728       0.82946746       0.24924188      -0.26786078 
O       6.50050707       2.67882061      -0.10461922      -0.42005756       0.80063714      -0.46879040 
O       6.47460489       1.95722562      -5.37764223      -0.41450663      -0.00782658      -0.11465925 
O       1.31491428       7.97347467      -0.09253693      -0.70064325      -0.46159891      -0.41866477 
O       1.33201712       7.17852117      -5.34583134      -0.18829124       0.26098000      -1.15791206 
O       6.43270530       6.12904904     -10.49778113       0.72568874       0.21000222      -1.23883738 
O       6.49544201       7.16617481      -5.32246806      -0.04807231      -0.20743460      -0.39332001 
O       3.55465229       4.68191967      -0.60830046       0.45724911       0.50823970      -1.49645690 
O       3.40977438       3.70974725      -6.19777268      -0.10211118      -0.01373116       0.25548140 
O       8.72544286       4.59659065      -0.76433107       0.12003332       0.58539369      -0.56083971 
O       8.68286894       3.71464407      -6.05537739      -0.71081885       1.36379242       0.41423889 
O       3.48355005       9.81614436      -0.80377872       0.46374150      -0.11958571       0.09538005 
O       3.37870366       8.88587522      -6.09776531       1.03340800      -0.31508755      -0.01481891 
O       8.85611994       9.80934199      -0.70736382      -1.65258156       1.08995640       0.34440936 
O       8.63843131       8.92936297      -6.09013926       0.20124222      -0.34607018       0.64085903 
O       1.00246990       0.00117180      -1.81871487       0.02659141       0.02690640      -0.43635022 
O       0.89534824      -0.90455117      -7.03600256      -0.27215654       0.12857120      -0.26161165 
O       6.13936566       0.03099881      -1.77847831       0.14287976      -0.49232432      -0.05463056 
O       6.07464067      -0.85744020      -7.09287163      -0.17446572       0.40318089      -0.08259881 
O       1.05461889       4.99629838      -1.96511497      -0.50973299       0.63577367       0.06309488 
O       0.88858863       4.31415343      -7.08597285       0.01486690       0.07998926       0.54373515 
O       6.09038903       5.19007520      -1.67504702      -0.47858693      -0.81878733      -0.73451949 
O       6.04065443       4.30149311      -7.00130117       0.57770003       0.57224068      -0.20663696 
O       1.73058800      -0.47866837      -4.48887492      -0.88978525       0.73115861       0.64076409 
O       1.63808456      -1.32422258      -9.71484859       0.20690759       0.51942992      -0.15541872 
O       6.81520957      -0.35827772      -4.47255943       0.73672990      -0.85735337       0.06139201 
O       6.87347814      -1.37005667      -9.68289521       0.46203347      -0.37021730      -0.25976368 
O       1.55015855       5.87999525      -4.69407567       0.63010804      -1.11130068      -0.65073147 
O       1.68987737       3.80707058      -9.70819784      -0.22079448       0.44602452       0.11235486 
O       6.91340669       4.81796599      -4.44747573       0.42438338      -0.57806290       0.21754300 
O       6.90630648       3.76756340      -9.67700091       0.52732108       0.21745675      -0.12770575 
O       4.28939816       4.37604551      -3.32265506       0.32172148      -0.34391863       0.18632461 
O       4.46174458       3.26027645      -8.62464142      -1.08265883       0.37711668      -0.98374599 
O       9.45465787       4.14629471      -3.40618858       0.29048405       0.25938362       0.11934005 
O       9.47156693       3.36669221      -8.65791777       0.31202015      -0.20161454       0.02384443 
O       4.32857580       9.36173714      -3.37809595      -0.22899680      -0.44038418      -0.32834748 
O       4.26025660       8.40193839      -8.67588175       1.02637534       1.30293055       0.32386273 
O       9.42350600       9.52607984      -3.38343718      -0.09040375      -1.17202699      -0.18543258 
O       9.49386025       8.48070094      -8.60810499      -0.45635093      -0.25077178      -0.57216174 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.019572083179158074 -0.001986921309843145 0.006454786379816335 -0.001986921309843145 -0.027447175217200626 -0.0027833082645865558 0.006454786379816335 -0.0027833082645865558 -0.02262461774151985" pbc="T T T" energy=-946.27665123 free_energy=-946.30975746 config_type=crystal 
Hf       2.82373753       2.02124657      -9.36496752       0.20876857       0.85349814      -0.55429018 
Hf       7.97689006       2.97013051      -4.12050253       0.15439721      -0.38753805      -0.41263965 
Hf       8.07521405       2.07352451      -9.31940402       0.02912797      -0.13421478       0.21322943 
Hf       2.83691825       8.16049974      -4.11780588       0.49765780       0.71256831       0.03315257 
Hf       2.76253101       7.29095967      -9.53987640       0.83193532      -1.32769676       0.81457997 
Hf       7.96889151       8.25611095      -4.26875242      -0.01037091       0.28358467       0.70981941 
Hf       7.98277440       7.20742742      -9.37641180       1.20014373      -0.57485100      -0.59375116 
Hf       0.29273212       0.84283992      -3.68067356      -0.86707276       0.29870544      -0.49914544 
Hf       0.25914643      -0.17945266      -8.96041044      -0.41635609       1.03246356       0.04526043 
Hf       5.30324688       0.88848563      -3.75744218       0.11142286       0.28081693      -0.64249518 
Hf       5.42142755      -0.11185464      -9.00691826      -0.23781165       0.18536090       0.69683917 
Hf      10.30177415       5.94612542      -3.47339674      -0.01409095       0.62572125      -0.16520781 
Hf       0.29061811       4.98594366      -8.96312683      -0.35517934      -0.06910056      -0.74418762 
Hf       5.48652130       5.94881096      -3.71655364      -1.13141518      -0.64617179      -0.40732265 
Hf       5.48132978       4.98584965      -8.97718596      -1.19159025       0.20781808       0.62448909 
Hf       2.39195386       1.28062277      -1.10752652       0.45873060       0.51628166      -1.74697947 
Hf       2.42422383       0.30662193      -6.27919946      -1.16636182       1.48136870      -0.22527371 
Hf       7.47466653       1.20788657      -0.95258367       0.78210720      -0.37714551      -1.85884042 
Hf       7.50226866       0.45386413      -6.34424733       0.98018942      -0.50653410       0.27414956 
Hf       2.43414875       6.39542373      -1.15000275      -0.49901635      -0.01175999       0.83162999 
Hf       2.58517750       5.40275286      -6.42834421       0.06108417       0.38418679      -1.44694234 
Hf       7.58595490       6.30261592      -1.00641744       0.14106182       1.20317966       0.39742016 
Hf       7.51582259       5.47204852      -6.34521055       1.09809938      -1.12613557      -0.10091419 
Hf       5.01909465       3.54596981      -1.64805443      -1.19547001      -0.98683821       0.56115119 
Hf       4.89796875       2.54052064      -6.75652760      -0.24286893       0.44067590       0.27610861 
Hf      10.18385438       3.41737135      -1.50832787       0.50044968      -0.59342576       0.38063487 
Hf      10.21790525       2.58678786      -6.73008041      -0.40654541      -0.56484578      -0.29327910 
Hf       4.99675157       8.58687478      -1.59645917      -0.16128919       0.14122085       1.23107319 
Hf       4.93923537       7.81417915      -6.82879672       0.33047515      -2.05782853      -0.07504961 
Hf      10.12827898       8.64680711      -1.57871371       0.35068692       0.09429657       0.94059576 
Hf      10.11002459       7.73577253      -6.86512769      -0.39111431      -0.34325139       0.02692572 
O       1.26969685       2.36150477      -2.66302564      -0.37484968      -0.32018362       0.47477632 
O       1.38647400       1.32476509      -7.99733353       0.05623647       0.43809004      -0.14611899 
O       6.55298751       2.43414176      -2.79770677      -0.34180856      -0.38652419       0.74537401 
O       6.57731358       1.37330655      -7.98794800      -0.65339273       0.42333626      -0.26978517 
O       1.33222181       7.60816535      -2.80074113      -0.64548176      -0.45270113       0.55591977 
O       1.34627759       6.56465474      -8.09331602       0.60137568       0.52238769       0.35599221 
O       6.51478458       7.50944417      -2.65320675       0.15738284       0.29827964      -0.71089224 
O       6.63252771       6.60512964      -7.90164201      -0.48798738      -0.20987051      -0.20632044 
O       3.93022914       1.28284718      -5.29617512       0.83594952       0.07727677       1.00818085 
O       3.94704085       0.55353308     -10.38174956      -0.12251551      -0.21356145       0.38122807 
O       8.95436195       1.40657773      -4.98494062       0.82953161       0.01461872      -0.22722165 
O       9.11007091       0.52324691     -10.24139013       0.71911496       0.06177838      -0.81279170 
O       3.93729288       6.57287818      -5.20984110       0.42577693       0.55380597       0.79280034 
O       3.97237924       5.63266856     -10.37592867      -0.49317880       0.29949089      -0.64061175 
O       9.13180210       6.59381827      -5.13077652      -0.18893051       0.54759031      -0.53153876 
O       9.11540082       5.70129462     -10.44155365       0.35491490      -0.20732575       0.46374445 
O       4.20608212       1.81241865      -2.33778913      -2.33008587      -0.61978325       0.20845633 
O       3.88257302       0.99464070      -7.71795056       0.01251368      -0.80830067      -1.17069992 
O       8.94188590       1.88278630      -2.31788989       0.85496682       0.68096591      -0.68556148 
O       9.04956344       0.97492321      -7.67371957       0.51802239       0.23065923       0.09277775 
O       3.83857562       7.16088458      -2.53546401       0.01961326      -1.29869566      -0.42901013 
O       3.99035477       6.06042042      -7.78648661      -0.26841973       0.73249345      -0.25363975 
O       8.96684111       7.05036955      -2.49811553      -0.44824058       0.14083361       0.24619361 
O       9.17743493       6.13861564      -7.82634978      -1.18388061      -0.41311308       0.48528147 
O       1.38649645       2.89117663      -0.14557392      -1.37760088      -0.57651378       0.16696973 
O       1.09135783       1.71047749      -5.46314671       0.07683052       0.05111285       0.51253208 
O       6.46431601       2.75819566      -0.06727872      -0.16112498       0.41944245      -0.06300075 
O       6.39656547       2.03400902      -5.42453816       0.37065648      -0.33481905       0.57512155 
O       1.28798668       7.91928802      -0.18583568      -0.13583521      -0.21805259       0.36965141 
O       1.35796989       7.12047073      -5.36632837      -0.04256567      -0.19197408      -0.50882103 
O       6.45895264       6.11725740     -10.49673864       0.14485047       0.09084872      -0.89873925 
O       6.44340221       6.97462491      -5.31689341       0.15724146       1.13268482      -0.41196055 
O       3.52417143       4.70264303      -0.86970024      -0.00680872      -0.03948184       0.16896507 
O       3.50576730       3.81251743      -6.05805588       0.68639040      -1.02393175      -0.09149826 
O       8.72250999       4.67593432      -0.72702270       0.22928922      -0.52584966      -0.35761145 
O       8.80370818       3.78012376      -6.01357435      -1.03044085       0.70237300       0.05842214 
O       3.36925867       9.76289619      -0.86411729       0.86428552      -0.28007050      -0.52530363 
O       3.54465828       8.94877074      -6.04506351      -0.65512520      -0.60179418       0.46756133 
O       8.72981292       9.91553023      -0.73464182      -0.18729094      -0.88117724      -0.05018835 
O       8.71032727       9.02122342      -6.05429762       0.02755612      -0.96194067      -0.05759983 
O       0.88040346       0.00156771      -1.86578090       0.49948400       0.35871159       0.51772080 
O       0.92288450      -0.99525124      -7.14771545       0.59950001      -0.04603783       0.44431978 
O       5.95962426      -0.00810675      -1.80847071       1.92451401       1.57398309       0.42590314 
O       6.11825767      -0.92279491      -7.06237677       0.19496471       0.72603237      -0.29315441 
O       0.81313669       5.31391818      -1.77682278      -0.18834904      -1.31106345      -0.15643555 
O       0.94614961       4.29500553      -7.06590413       0.20967062      -0.36055235       0.00286961 
O       6.12785405       5.19129502      -1.82528540       0.64783252       0.44888671      -0.24025347 
O       6.11913887       4.16688759      -7.16449234       0.89177039       1.05951202       0.85857485 
O       1.73056275      -0.38080554      -4.36364095       0.60395333      -1.17301818      -0.51879601 
O       1.67174631      -1.33306754      -9.83994374      -0.44172788       0.44343806       0.55185787 
O       6.88604281      -0.30974756      -4.48665930      -0.23125761      -0.74533500       0.44070085 
O       6.87485423      -1.43571706      -9.63153264      -0.85231632       1.18091335      -0.26017316 
O       1.52081127       5.76568273      -4.69087037       0.11274661       0.22401318      -0.32330561 
O       1.69567994       3.70119385      -9.74305043       0.15946024       0.89379130       0.22181565 
O       6.88874553       4.67823444      -4.52635802      -0.38623927       0.43724888       0.37039376 
O       6.97156813       3.76765743      -9.60935436       0.01365389       0.27698214      -0.77580726 
O       4.30777152       4.27945209      -3.43166909       0.55904134       0.74065868       0.36799168 
O       4.38173557       3.23380132      -8.70259262      -0.56497664       0.24049740      -0.50624071 
O       9.46310362       4.18345204      -3.45143980       0.54437994      -0.29922412       1.01170371 
O       9.57597309       3.23297062      -8.62562910       0.11675264       0.79342910      -0.50780873 
O       4.36523775       9.41717371      -3.49031160      -0.74599952      -1.16757753       0.13751992 
O       4.27510111       8.47581402      -8.73407610      -0.16817977      -0.15518358       0.36234364 
O       9.44201257       9.33879300      -3.37842861       0.02979268       0.44298102      -0.59588122 
O       9.45134150       8.50190850      -8.73861172       0.13559795      -0.54017616       1.11781394 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01435009818612877 0.003949442538264256 0.0039832460274032725 0.003949442538264256 -0.020214176289645686 0.0039254166914879 0.0039832460274032725 0.0039254166914879 -0.022529574112731928" pbc="T T T" energy=-946.15748033 free_energy=-946.1883937 config_type=crystal 
Hf       2.81123926       2.12797138      -9.32315409       0.87457903      -0.12825417      -0.88793971 
Hf       7.93961394       2.97412713      -4.15408645       2.07011230      -0.18503370       0.21632610 
Hf       7.92640445       2.10519883      -9.37842696       1.38469909       0.03304609      -0.10574992 
Hf       2.89705426       8.23657059      -4.06323938      -0.32257223      -1.27942503      -0.59628426 
Hf       2.76084653       7.26274186      -9.45025243       0.62355785       0.41216997       0.04474269 
Hf       7.96611470       8.15682534      -4.17662438       0.03453931       0.79317717      -0.40095318 
Hf       7.99541772       7.25993390      -9.42267328      -0.21679486      -0.02270692      -0.13532519 
Hf       0.24073513       0.84237358      -3.78026436       0.46670937      -0.24460260       0.49231853 
Hf       0.20529405      -0.10481446      -9.00781029       0.43055887       0.67585144       0.51446232 
Hf       5.41190007       0.84573453      -3.79806065      -0.34361197      -0.56536442       0.46653892 
Hf       5.29996365      -0.09322854      -8.98923097       1.39330520      -0.77443348      -0.44029098 
Hf      10.34056248       5.98607908      -3.39866292       1.13459096      -1.26654348      -0.77994821 
Hf       0.20250695       5.01582621      -9.01734146      -0.24050381      -0.09339814       0.41429333 
Hf       5.40674856       5.89985670      -3.74905893      -0.78179409       0.18684614       0.27844948 
Hf       5.47859589       5.04649023      -8.92587737      -1.38609873       1.15984034      -0.41906444 
Hf       2.35782912       1.23693794      -1.14343264       0.31258561       0.09795938      -0.48893787 
Hf       2.48696064       0.42672540      -6.26357134      -0.86445412       0.35134152       0.52246630 
Hf       7.56175486       1.27787429      -1.11709843      -0.57733177      -0.85870028       0.80583441 
Hf       7.56226056       0.35799009      -6.43818409       0.42102352       0.07301285       1.02588577 
Hf       2.48201632       6.36997818      -0.99087647      -0.40153862       0.11165816      -1.42778375 
Hf       2.52001498       5.30004294      -6.50736090      -0.35793531       0.58169331      -0.26051576 
Hf       7.49852025       6.26881397      -1.04669401       0.05558733       0.31075631       0.16977657 
Hf       7.66721594       5.40181303      -6.25689086       0.40248977       0.68855106      -1.42170064 
Hf       4.91804903       3.38495800      -1.57790285      -0.26838688       0.33383923      -0.50574200 
Hf       5.01307950       2.56448607      -6.68207152      -0.99888388       0.73279824      -1.29566559 
Hf      10.28607265       3.36152831      -1.55565075      -0.84623392       0.48412859       0.02375840 
Hf      10.18314805       2.56230344      -6.78888368       0.36940762      -0.35365009       0.40867158 
Hf       4.94637516       8.70934239      -1.54155067       0.39415081      -0.89504385       0.62442277 
Hf       5.04487110       7.71434670      -6.79408263      -0.61938629      -0.03370789       0.06444282 
Hf      10.16820380       8.65674071      -1.51420882      -0.54159899      -0.22468035      -0.61143480 
Hf      10.17124400       7.81862712      -6.85491819      -0.18865100      -0.86718722       0.83906878 
O       1.28284245       2.25624134      -2.61869375      -0.53390723      -0.09081345      -0.02244923 
O       1.38680618       1.52164643      -7.98636304      -0.79775599      -0.75417802       0.20370913 
O       6.51235637       2.36531052      -2.82128132      -0.12661764       0.14671019       0.44328130 
O       6.47253535       1.58312062      -8.01755178      -0.21036368      -1.13151322       0.35433857 
O       1.22088907       7.55188700      -2.74291262       0.55361012      -0.15458315      -0.18917151 
O       1.46815575       6.55347698      -8.07743619      -1.33914075      -0.26732190       0.33250636 
O       6.48299776       7.43327618      -2.83577622       0.61029149       0.46699799       0.28714505 
O       6.50628376       6.79597497      -8.11160835      -0.20409387      -1.20704214       0.53468975 
O       4.13696058       1.35448347      -5.24184047      -0.61785783      -0.40247208      -0.53473335 
O       3.85888844       0.43789644     -10.39653365      -0.05383856       0.76836056       0.01485997 
O       9.07452498       1.46105028      -5.07470623      -0.12739810      -0.62475156      -0.19026302 
O       8.98821737       0.53607101     -10.27416099       1.65725596      -1.11214384      -0.33246127 
O       3.95643378       6.64769059      -5.11673766       0.32810239      -0.30654688      -0.33651947 
O       3.84187153       5.77800048     -10.40578729       0.95508705      -0.96243672       0.65701402 
O       9.19126285       6.65551151      -5.08968752      -0.14277868      -0.13353602       0.08890143 
O       9.02070855       5.45440322     -10.26612353      -0.20519124       1.48845606      -0.82564762 
O       3.97075223       1.78026043      -2.51129198      -0.23943200      -0.30261988       0.80558619 
O       3.87785925       0.94693289      -7.80517398       0.10094344       0.63535864       0.15143434 
O       8.97583920       1.84870623      -2.44824331       1.11149431       0.50213945      -0.68173856 
O       9.05664806       1.03071132      -7.72310246       0.26711068      -0.59559073      -0.34608392 
O       3.88941076       7.15879796      -2.47122059      -0.76914770      -1.26532425       0.11083314 
O       3.95754086       6.06059758      -7.74946533       0.09892432       0.75623773       0.10797668 
O       8.95168873       6.95332003      -2.45784452      -1.04707251       1.31070662       0.91836440 
O       9.06906353       6.26887912      -7.73918326      -0.15642896      -0.99305679       0.05230244 
O       1.22750852       2.78713842      -0.05696105       0.05761538       0.36617558      -0.04433743 
O       1.13524228       1.82951346      -5.38452452       0.31765863      -0.54790842      -0.51995598 
O       6.44710303       2.75061936      -0.13309607      -1.01480776       0.51427992      -0.01679798 
O       6.57970501       2.00368049      -5.47712257      -0.11064423      -0.14814550       0.91608779 
O       1.20399476       7.94767438      -0.18774489       0.02240607      -0.39386905       0.90373341 
O       1.42917884       7.20836556      -5.49149640       0.09057950      -0.51066201       0.20000991 
O       6.41994342       7.91233628      -0.18623838       0.22214777      -0.39026659       0.43471613 
O       6.52647138       6.91427135      -5.48899421      -0.63523569       1.25065104       0.68151774 
O       3.63086843       4.68075174      -0.67026211      -0.79676391       0.16771523      -0.01899393 
O       3.36987004       3.65715473      -6.05341347       1.02006268      -0.31387626      -0.47976246 
O       8.68995855       4.52786623      -0.76172850      -0.57390184       1.30232432      -0.72666556 
O       8.71571339       3.71674223      -6.07597135      -0.69850185       0.71934614       0.77635789 
O       3.36912869       9.77385008      -0.85288261       0.54832858       0.20913057      -0.56335142 
O       3.65400003       9.05255440      -5.91168056       0.36317622      -0.95699010      -0.76050576 
O       8.58164970       9.77442148      -0.77374359       1.15443640      -0.51167180      -0.52943785 
O       8.67407397       8.90873030      -6.07637961       0.13249656       0.40616358      -0.21290068 
O       0.88106823      -0.06294568      -1.82027536       0.11111183       0.73744586      -0.28911536 
O       1.12250347      -0.97059076      -7.02303948      -0.79025356       0.61685846      -1.05612963 
O       6.07632369       0.04754571      -1.88056867       0.71266133       0.47361217       0.06897128 
O       6.07639258      -0.79629139      -7.09228370      -0.47088346      -0.59275032      -0.96396640 
O       0.95224539       5.16471666      -1.77762828      -0.22022890      -0.55160060      -0.03768372 
O       0.81597626       4.29210177      -7.19377700       1.15001311      -0.00557470       1.09780337 
O       6.03878387       5.13057479      -1.77143105       0.29341987      -0.05086668      -0.41979509 
O       6.08141743       4.36795582      -7.05579291       0.51043594      -0.00517695       0.54137376 
O       1.79598306      -0.44256355      -4.43171562      -1.15472656       1.18234523       0.37595104 
O       1.66135986      -1.32694068      -9.78847827      -0.59336306       0.17553148       0.57441362 
O       6.79600976      -0.47380515      -4.65194607       0.23327478       0.13149660       0.99186239 
O       6.88293580      -1.34584163      -9.77882950      -0.76070644       0.53819296       0.92866908 
O       1.37072419       5.80835757      -4.88152676       0.29943488       0.59104566      -0.21065969 
O       1.73472022       3.81571459      -9.70936172      -0.29659724       0.25071676       0.29824314 
O       6.94435948       4.72284406      -4.37501288       0.43863902      -0.03114262      -0.43878232 
O       6.72758198       3.71756763      -9.65304299       1.18972641       0.21990047      -1.17075250 
O       4.28882887       4.29218855      -3.33574425       0.14464153       0.00279460       0.22713529 
O       4.30960863       3.38316913      -8.63862452      -0.76918214      -0.60539329       0.56737182 
O       9.66303513       4.09055091      -3.51533733      -0.39120613       0.06159059       0.49210409 
O       9.41125906       3.35721967      -8.62715043      -0.10951963      -0.32160696      -0.62706751 
O       4.38857436       9.35668971      -3.41085063       0.06266724       0.86945303      -0.26541263 
O       4.31341699       8.40560059      -8.75834106      -0.02607031       0.38566555       0.79567526 
O       9.43271139       9.38271934      -3.41139824      -0.22691621      -0.51871114      -0.17341499 
O       9.49319288       8.51676202      -8.67659747       0.19073567       0.17862116      -0.23403808 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013527011259956092 0.0019667123081765045 0.0023400972847350144 0.0019667123081765045 -0.014551784383396242 -0.002294503166676092 0.0023400972847350144 -0.002294503166676092 -0.01754538927547432" pbc="T T T" energy=-946.43716403 free_energy=-946.47617197 config_type=crystal 
Hf       2.82809606       2.11444310      -9.38773804       0.09000804       0.42884282       0.24024300 
Hf       7.98232959       2.94730490      -4.16005845       0.01333728       0.84350393       0.55497465 
Hf       7.98008175       1.99912967      -9.39219523       0.08597624       1.18385567      -0.24591106 
Hf       2.89581958       8.12963150      -4.04448271      -0.19607513       0.38231412      -0.89098291 
Hf       2.81357437       7.26959578      -9.48763095      -0.52976644      -0.54485153      -0.36356615 
Hf       7.92890092       8.30768715      -4.26816680      -0.02118563      -1.23392276       0.20548813 
Hf       7.99401493       7.28280434      -9.40870845      -0.23452304       0.49725690       0.20024401 
Hf       0.21252341       0.84405453      -3.75228419       0.45345402       0.18489146       0.67429827 
Hf       0.24249317      -0.03885586      -8.91272245       0.63598353      -0.26435828      -0.57818433 
Hf       5.39037626       0.85039124      -3.73749191      -1.25234517       0.20157436      -0.04034540 
Hf       5.28031415      -0.20717806      -9.00673450       0.90332729       0.51519862       0.94446917 
Hf      10.26433616       5.95959701      -3.41042137       0.68042244      -0.27456023      -0.93068899 
Hf       0.16086494       5.09134038      -8.94072751       0.42674180      -1.09155778      -1.05085619 
Hf       5.45600957       5.88932986      -3.70960131       0.90182374       0.29263263       0.09268430 
Hf       5.41440475       5.09523127      -8.97730619       0.34151714      -1.71170111       1.03633740 
Hf       2.41544362       1.27805073      -1.08344774      -0.65125747       0.05551507      -1.35973919 
Hf       2.41760106       0.38264422      -6.23868610      -0.08019776       0.10721394       0.11176556 
Hf       7.55129651       1.26723711      -1.11549899      -0.01499180      -0.96897556      -0.43763662 
Hf       7.61015847       0.44376228      -6.29237203      -1.32922310      -0.68534673      -1.82007955 
Hf       2.32305156       6.31007691      -1.05089088       0.84982218       0.86677015      -0.07998734 
Hf       2.50111513       5.36665831      -6.49414150       0.02659806       0.01201120       0.66339279 
Hf       7.60787021       6.36048159      -0.99828642      -1.28044508      -0.89001859      -0.63333559 
Hf       7.66579382       5.48496868      -6.30480104      -0.89831020      -0.58308997       0.05144790 
Hf       4.92799608       3.44483271      -1.60854146      -0.12451512      -0.24509526      -0.33886561 
Hf       4.98020077       2.51116672      -6.77068155       0.05479533       0.82135009      -0.11538925 
Hf      10.21606160       3.37083104      -1.51538247       0.15993289      -0.33219780       0.33086738 
Hf      10.19602859       2.57170027      -6.81279173      -0.38197651       0.11550058       0.11892608 
Hf       5.08936983       8.57393307      -1.58738709      -0.57604180       0.22662937      -0.13666575 
Hf       5.02988975       7.62125419      -6.80181673      -0.35742208       0.95130778       1.39271400 
Hf      10.06965247       8.69439074      -1.52297870       1.77737810       0.13171477      -1.36399162 
Hf      10.23107142       7.75640731      -6.87565936      -1.22954685       0.19565391       0.25830118 
O       1.27679956       2.37059166      -2.55278934      -0.17812401      -0.67500558      -0.16448242 
O       1.33607421       1.51975893      -7.94188519       0.17082243      -0.05866666      -0.21990173 
O       6.52923800       2.32669945      -2.69936995       0.26691105      -0.19894450      -0.64238718 
O       6.60526919       1.49699874      -7.89635833      -0.70468980      -0.57468634      -0.95925106 
O       1.31324694       7.54168366      -2.80411917      -0.54605027      -0.29295703       0.79912368 
O       1.29204742       6.60029749      -8.09049504       0.42557479       0.51552513       0.38080134 
O       6.53797374       7.52726374      -2.77277177      -0.05793738      -0.36538248       0.53722753 
O       6.53336908       6.62180730      -7.97182225       0.14982434       0.39709456      -0.35630749 
O       4.11014323       1.22251303      -5.37135385      -0.36526985      -0.21506725       0.71461230 
O       3.89154628       0.53532966     -10.43486100       0.07681952      -0.29859115       0.58420634 
O       8.98468446       1.42081672      -5.13549233       0.77008377      -0.04246876       0.30405718 
O       9.18278520       0.47266295     -10.36683117      -0.78507426       0.44223172      -0.25954844 
O       4.06557250       6.45164882      -5.08665947      -1.28981952       1.09788525      -1.06872788 
O       3.90700070       5.54486149     -10.26766407      -0.50509946       1.02372830      -1.25152739 
O       9.32447090       6.67712494      -5.17215702      -0.77720294       0.39719986      -0.10469649 
O       9.12023293       5.82026927     -10.43392928       0.19858549      -1.47392626       0.69926114 
O       3.90846012       1.78273622      -2.45035078       0.70852343      -0.36281814       0.00182153 
O       3.81636813       0.90074471      -7.85788156       0.27390582       0.45595008      -0.02470910 
O       9.04082759       1.82494163      -2.47940023      -0.29943480       0.39863911      -0.30382819 
O       9.03950117       0.92835921      -7.74995802       0.99485887       0.61241804      -0.65950243 
O       3.90811111       7.00536187      -2.51853780      -0.39404969      -0.07516264       0.79789622 
O       3.87276395       6.11170056      -7.76548303       0.18754840       0.41910566      -0.67291361 
O       8.93486362       7.07716985      -2.50502155      -0.04283965       0.75490971       0.54466767 
O       9.02972878       6.09729220      -7.80761075       0.33028899       0.41978527       0.15887134 
O       1.26702063       1.17854654     -10.49601000      -0.13695964      -0.91391026      -0.21746891 
O       1.03526655       1.75233581      -5.44144788       0.56073629       0.28797673       0.21575828 
O       6.41087249       2.74535027      -0.20442528       0.37730619       0.42579593       1.55382613 
O       6.44885868       2.02623635      -5.35359936       0.47330661       0.13253051       0.73540339 
O       1.31074205       7.96120843      -0.17820217      -0.92509674       0.12541634       0.01279943 
O       1.53499070       7.28288283      -5.54017154      -0.02521308      -1.32912545       0.60635679 
O       6.41432051       7.90146399      -0.09864470       0.53884320       0.22869358       0.39056172 
O       6.48281905       7.02701306      -5.29433846       0.56013903       0.10347165      -1.23788206 
O       3.49061690       4.62120878      -0.77495262      -0.60697052       0.82810414      -0.11314304 
O       3.55693608       3.82015248      -6.18441005      -0.03168267      -0.77647143       0.13662654 
O       8.66040491       4.65737240      -0.95604393      -0.20200546      -0.41214502       1.15486179 
O       8.72974091       3.75666715      -5.99650796       0.08999335       0.15376472      -0.63302406 
O       3.58513430       9.80423266      -0.86571758      -0.44253237      -0.22427947       0.94870025 
O       3.48745264       8.88261978      -6.07865698       0.28938480      -0.62501471       0.81856090 
O       8.62488881       9.79069930      -0.80097307      -0.15236896       0.83372336       0.48613749 
O       8.61172264       8.95441182      -6.15975783       0.90678777      -0.76495236       0.09333431 
O       0.80618424       0.03854161      -1.90535246       0.71764780      -0.23883202       1.06979084 
O       0.98297937      -0.87245203      -7.13672879      -0.45885941      -0.59510973       0.33187614 
O       6.36729995      -0.17222788      -2.00565153      -0.75390330       1.00225886       0.19498642 
O       6.07506418      -0.94698929      -7.07876199      -0.14892492       0.60452249      -0.85322659 
O       0.75380790       5.22810469      -1.71087838       0.59923012      -0.12486660      -0.00784159 
O       0.83926766       4.33569143      -7.05151581      -0.03351193      -0.38400841      -0.09988749 
O       6.16261945       5.06649128      -1.79407031       0.32739961       1.38368263       0.38229745 
O       6.12946839       4.33820841      -7.05127377       0.16832333      -0.09893353       0.36593258 
O       1.64295490      -0.44099849      -4.39388358       1.04388986      -0.55670789      -0.45452249 
O       1.73047901      -1.26571187      -9.73525511      -0.26266183      -0.22959515      -0.10369498 
O       6.79229720      -0.38480819      -4.63938086      -0.44014719      -0.19954685       1.12891385 
O       6.80482696      -1.36940476      -9.75753032      -0.04997663       0.10789580       0.07914708 
O       1.42535043       5.91577785      -4.77427305       0.57384312       0.48812584      -0.99456844 
O       1.70784437       3.87484679      -9.62165254       0.28219711      -0.07904089      -0.19848770 
O       7.09696164       4.76435339      -4.42367784      -0.36948226       0.29878122       0.38000342 
O       6.92264667       3.79531552      -9.59693794       0.45000114       0.03483021      -0.89203764 
O       4.56964395       4.18607996      -3.46029316      -0.73599743      -0.73200879       0.10693475 
O       4.42759958       3.27921694      -8.65224987      -0.71657102      -0.13246408      -0.59323235 
O       9.60483130       4.08789073      -3.44918501       0.09934742       0.11192265      -0.17295230 
O       9.48883623       3.29515584      -8.77305900      -0.11927589      -0.23436816       0.28384199 
O       4.31001604       9.39445354      -3.36536084      -0.06051954      -0.09271655      -0.58557515 
O       4.20853236       8.42309073      -8.63323258       0.62904295       0.24805192      -0.39841547 
O       9.32904024       9.45753544      -3.49862933       0.97497609      -0.03129944       0.87353401 
O       9.49664038       8.46833747      -8.68839089       0.10955448       0.06134304      -0.07347377 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014016500090225259 -0.0027886840826381884 -1.4697461999066016e-05 -0.0027886840826381884 -0.01884675561232606 0.0013035358729408819 -1.4697461999066016e-05 0.0013035358729408819 -0.022133249624060422" pbc="T T T" energy=-946.48993038 free_energy=-946.52287279 config_type=crystal 
Hf       2.82585290       2.16462200      -9.45510360      -0.70505476      -1.46177780       1.51631252 
Hf       7.95566300       2.99227014      -4.15232676       0.82194931      -0.29079067       0.20995572 
Hf       8.11264010       2.11451815      -9.40240599      -1.46801649      -0.38724318      -0.14492094 
Hf       2.87262418       8.22947309      -4.17450652      -0.15088065      -0.68097807       0.03847003 
Hf       2.85355301       7.33830531      -9.33963633      -0.00562713      -1.25644090      -1.27597997 
Hf       7.95989465       8.28744957      -4.07539118       0.64997899      -1.23855498      -0.57379884 
Hf       8.02811234       7.21446135      -9.47657341      -0.85147586       0.30919334       1.42457807 
Hf       0.26194453       0.81984137      -3.72669342      -0.01215822       0.18164656       0.27336777 
Hf       0.25076457      -0.16766957      -8.90747657      -0.46572894       0.91936829      -0.23183676 
Hf       5.42644866       0.85398049      -3.67131260      -1.59069869       0.59256751      -0.90852381 
Hf       5.41832210      -0.02708352      -9.03582616       0.94862768       0.00936275       0.86044605 
Hf      10.38752838       5.91156985      -3.46232524      -0.19754845       0.54878300      -0.09772359 
Hf       0.26803667       4.95046731      -8.93641796      -0.69514910       0.95746714      -0.31598476 
Hf       5.38029102       5.85831173      -3.81508892       0.07027392       1.47362986       1.00229307 
Hf       5.41689177       5.08006415      -8.94834978      -0.26980835      -1.05991343      -0.65733928 
Hf       2.34536669       1.26188026      -1.15260196       1.08791292      -0.08691455       0.22258381 
Hf       2.33954127       0.34589418      -6.36454307       0.09227051       0.69338487       0.52806480 
Hf       7.57970763       1.22285708      -1.10033509      -0.35947942       0.45231981       0.33076889 
Hf       7.58514404       0.38228934      -6.23592582       0.09472017       0.04135260      -2.76691037 
Hf       2.40749442       6.33851110      -1.12653720      -0.08993867       1.02105574       0.23074452 
Hf       2.47275753       5.31480739      -6.56045154       1.25956960       1.23717526       0.53894255 
Hf       7.55568070       6.38704424      -1.05571611      -0.59658786      -0.43570342       0.10517765 
Hf       7.51272254       5.49102844      -6.28759730       0.72054854      -0.54841448      -0.95729766 
Hf       4.93335747       3.48861124      -1.63786676       0.64975953       0.23771850       0.48867802 
Hf       4.92203662       2.52774362      -6.71271002      -0.02737783       0.08474827      -0.33100046 
Hf      10.24274897       3.40420269      -1.51206891      -0.94621874      -1.08371270      -0.44785320 
Hf      10.10441112       2.52774538      -6.75731546      -0.38492775      -0.38757487       0.54497045 
Hf       4.95369211       8.65418702      -1.55297877      -0.23628690      -1.20753923       0.56836755 
Hf       5.06130762       7.78326465      -6.86853734      -0.19659117      -0.48273706       0.85389980 
Hf      10.18554489       8.60826359      -1.47140749       0.72458758      -0.12540797      -0.36057374 
Hf      10.05663686       7.64572083      -6.81929285       0.01137533       0.54433872       0.72178020 
O       1.30750922       2.25431752      -2.63742280      -0.66455778      -0.38087623       0.14969477 
O       1.29093929       1.43141468      -7.97781315       0.46991283      -0.20036649      -0.54258911 
O       6.54544644       2.46140359      -2.68562542      -0.04806595      -0.80979774      -0.52122324 
O       6.53026622       1.55524379      -7.97155816       0.15715460      -0.35369341      -0.46775902 
O       1.28185236       7.46480431      -2.72794005       0.01753546       0.00591890       0.35282809 
O       1.34077032       6.57397906      -7.99055834      -0.39429215      -0.38605784      -0.19737135 
O       6.51806272       7.53643921      -2.72506583      -0.10952455       0.12078428      -0.39875861 
O       6.53615721       6.61005756      -8.06024936       0.19425147       0.42429129       0.76438262 
O       4.00254830       1.16235709      -5.21237205       0.11671906       0.34092897      -0.64806400 
O       3.94502596       0.51619800     -10.37760729      -0.59665224       0.35467386      -0.07054332 
O       8.98392659       1.43256556      -5.11898825       0.83882287      -0.03952633       0.75554833 
O       9.16404090       0.53040056     -10.41222720      -0.32929389      -0.30373229       0.44698928 
O       4.02531021       6.56546773      -5.24612219       0.01579580       0.79262621       0.27515911 
O       3.84440125       5.61296956     -10.26497151      -0.16459477       0.37739345      -1.26560530 
O       9.23406121       6.71533018      -4.98892212      -0.44101886      -0.47033458      -0.89703336 
O       9.14821056       5.66150923     -10.38967845      -0.42205781       0.14840098       0.52951428 
O       4.05168805       1.79299808      -2.33875550      -0.59638948      -0.47992541      -0.28783405 
O       3.83324073       1.04469680      -7.81647608       0.14226990      -0.41554485       0.22141132 
O       9.01684253       1.82312672      -2.54148116       0.19605440       0.15709470       0.42573891 
O       9.09510036       0.96171848      -7.69498305      -0.50253554      -0.30145731      -0.82817455 
O       3.83098032       7.09269560      -2.49572328       0.15736190      -0.29256574      -0.30969282 
O       3.91400085       6.13071490      -7.86255915      -0.25434227       0.54126431       0.96351940 
O       8.97633067       7.03668463      -2.47276512       0.53176800       0.21711732       0.51485261 
O       9.03411047       6.02512745      -7.68978998       0.29182463       0.42330886      -0.22583278 
O       1.19978596       2.92156862      -0.07552126       1.25592907      -0.97372534       0.34612269 
O       1.00146651       1.70217342      -5.47834935       1.01349598      -0.22290919       0.76606546 
O       6.48673006       2.79025053      -0.10723155       0.04039752       0.16342244      -0.23274621 
O       6.47108425       1.94808485      -5.40122539      -0.69747844       0.70794298       1.15533045 
O       1.20381376       7.87848355      -0.04605903       0.37555694       0.56105658      -0.77294866 
O       1.37357913       7.10989241      -5.43026119       0.78813554      -0.55240858       0.27866403 
O       6.29918232       7.99517468      -0.07188123       1.65480204      -0.54755784      -0.39087658 
O       6.54427317       7.11569938      -5.42589546      -0.25395981      -0.11046802       0.42928546 
O       3.58992475       4.67211881      -0.64614499       0.06464777       0.94673989      -1.58631944 
O       3.57004136       3.85559969      -6.01779884       0.88312411      -1.16261909       0.00104123 
O       8.88325794       4.77967106      -0.71231737      -0.45045644      -0.25199227      -0.39893314 
O       8.64703229       3.77437924      -5.97347136       0.40727949       0.34721024      -0.32849374 
O       3.51358652       9.76494341      -0.74059733      -0.39817807       0.57094371       0.16776957 
O       3.38278518       8.81395396      -6.21977949       0.33054459       0.31383672       0.93951894 
O       8.70073536       9.82068070      -0.70159459       0.61955212      -0.00244834      -0.99153279 
O       8.56582092       8.84925122      -6.08799557       0.59620507       0.18023577       0.47796810 
O       1.09494477      -0.17061513      -1.87553973      -0.44458009       0.64139537       0.18550738 
O       0.84529279      -0.94661708      -7.05144976       0.03838662      -0.34192986      -0.25299699 
O       6.13859792      -0.05243454      -1.94771728       1.33182078       0.95566919       0.93456380 
O       6.14092899      -0.79260703      -7.06594886      -0.98458271      -0.47257006      -0.51213294 
O       1.05229292       4.94486940      -1.94404639       0.77927448       1.64015045       0.22708303 
O       0.99349611       4.07828807      -7.02029400      -0.18194216       1.10181493      -1.00548989 
O       6.21835185       5.17846187      -1.91946620      -0.38625858      -0.52783339       0.47335638 
O       6.13986585       4.29906316      -7.12556698      -0.48172145      -0.41555650       0.47848284 
O       1.63716803      -0.47559879      -4.49830235       0.71487365      -0.67430413       0.03042603 
O       1.76063809      -1.24852743      -9.71775883      -0.54232962      -0.02408243       0.21304589 
O       6.91684276      -0.33519961      -4.47726568      -0.55030231      -0.40449825       1.15782809 
O       6.87791614      -1.35276892      -9.74636746      -0.16643545       0.23777061      -0.00441071 
O       1.62760075       5.75506964      -4.73726741      -0.77139420       0.31313996      -0.11712878 
O       1.73356804       3.89222249      -9.76272664      -0.34122975      -1.24049543       0.55783633 
O       6.86548592       4.68623211      -4.45088737      -0.02024435       0.46349159      -0.45440888 
O       6.92375605       3.79796994      -9.73034871      -0.42651838       0.33179906       0.05183588 
O       4.27800894       4.33302650      -3.35533540      -0.33974671      -0.47993660       0.30644300 
O       4.17182137       3.38143638      -8.61506478       0.94462018       0.55595897       0.75447310 
O       9.54269266       4.12963596      -3.43161543      -0.37379952      -0.00425642       0.00397295 
O       9.46135878       3.32517540      -8.60621027       0.50736174       0.44902591      -0.13561279 
O       4.26567358       9.44654151      -3.33529535      -0.45672669      -0.35212200      -1.33054439 
O       4.39801467       8.47256523      -8.69811139      -0.26012631       0.33410406      -0.30448455 
O       9.47601803       9.41035404      -3.27604643      -0.50128319      -0.08879380      -0.82589002 
O       9.44404948       8.43297411      -8.62678007       0.04842339      -0.17509267      -0.31689147 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017949007685332967 0.0023966389723516805 0.0023447151963334905 0.0023966389723516805 -0.015964615971757412 -0.000664850919786933 0.0023447151963334905 -0.000664850919786933 -0.02256563800809145" pbc="T T T" energy=-946.5410235 free_energy=-946.57410256 config_type=crystal 
Hf       2.79008202       2.11763860      -9.35513037       0.25967865       1.25874984      -0.45451160 
Hf       7.89616755       3.03245234      -4.20283899       0.36759853      -1.16755374       1.22044360 
Hf       8.00362595       2.03534923      -9.48622985       0.13887814       0.59029339       0.66463754 
Hf       2.90133673       8.08031277      -4.12295263      -0.59133278       1.22222651      -0.06212730 
Hf       2.82877371       7.25885864      -9.42057264       0.10078812      -0.02700028      -0.05250811 
Hf       7.97094099       8.17081519      -4.08733213       0.66909223       1.46054609      -1.71041212 
Hf       8.04285763       7.29506963      -9.33143632      -0.47301695      -0.14194179      -1.47489640 
Hf       0.27314465       0.86825137      -3.70514202       0.07377688      -0.78040608       0.09983050 
Hf       0.29581056      -0.07859383      -8.99941339      -0.84861764      -1.29152763       1.25177695 
Hf       5.28689640       0.83515358      -3.69556948       0.31400294      -0.28322740       0.32053576 
Hf       5.42107917      -0.11969627      -8.95244837       0.01583727       0.09790164       0.24841993 
Hf      10.32251381       5.93127630      -3.49963665      -0.41318352      -0.33487287      -0.07415931 
Hf       0.17334898       5.05844973      -9.07815213       0.72530136      -0.51713859       0.80260949 
Hf       5.45684152       5.94261552      -3.71606841      -1.22316727      -0.13459271       0.52808814 
Hf       5.35680158       5.07900224      -9.02726640       1.26574480      -0.76669375       1.71600708 
Hf       2.45180757       1.26808968      -1.05564366      -0.21792681       0.00072085      -0.81913609 
Hf       2.31305651       0.43028809      -6.32093530       1.03734049      -1.12308774       0.91947923 
Hf       7.59736926       1.17708347      -1.10888782      -0.49077252       0.57138915      -0.10830925 
Hf       7.64003815       0.42302679      -6.34722267      -0.75822267      -1.71703550       0.70825353 
Hf       2.37154764       6.38546403      -1.14161489      -0.17792296      -0.40205336       0.51639549 
Hf       2.55863207       5.23290657      -6.50987243      -0.16018293       1.01729796      -0.39189114 
Hf       7.47611088       6.43390408      -1.00668636       1.05022608      -0.75758298       0.37024184 
Hf       7.59776066       5.49554350      -6.33011722      -0.67879652      -0.05868146      -0.33964509 
Hf       4.94279269       3.47852862      -1.52581922      -0.45177223       0.15668003      -1.17041155 
Hf       5.00891767       2.52364170      -6.72798470      -0.09260991      -0.13769271      -0.54352049 
Hf      10.18145443       3.36275890      -1.52865752      -0.37214242       0.23612996       0.35095454 
Hf      10.10285133       2.56945375      -6.81001926       0.29028571       0.20336075      -0.35145406 
Hf       4.96011851       8.60620667      -1.55158786       0.25368805       0.24921727       0.90933857 
Hf       5.05166605       7.73913230      -6.75298386      -0.58085811      -0.01410305       0.24120016 
Hf      10.29125097       8.65308833      -1.57401900      -0.73885574       0.58714903       0.05636131 
Hf      10.14111640       7.68958553      -6.86573715       0.48580931       0.61007436       0.60835856 
O       1.22506981       2.27233316      -2.46888725       0.14580824       0.35773283      -1.01642398 
O       1.26747988       1.49981893      -7.96453600       0.58421545       0.06289206      -0.50042960 
O       6.54495301       2.28724031      -2.69640942      -0.16674700       0.96658657      -0.23825200 
O       6.60385403       1.51812014      -7.98044229      -0.88173243      -0.59986614       0.55767245 
O       1.34107756       7.41961050      -2.73444064      -0.20760389       0.51226259      -0.52441575 
O       1.29064307       6.65707181      -8.20314909      -0.46228019      -0.80373455       1.34666321 
O       6.52489382       7.52341472      -2.77475417      -0.10595479       0.08473232       1.23398929 
O       6.60606249       6.65057008      -7.87817625      -0.52634950       0.17370431      -0.93209657 
O       3.96154206       1.16973020      -5.20790920      -0.15946586       0.42705868      -0.65538290 
O       3.91490491       0.65679618     -10.43514871       0.02244010      -0.67806573       1.12659824 
O       8.97548542       1.46807294      -5.17541535       0.67650632       0.23759833       0.61288826 
O       9.20865922       0.46915099     -10.41370904      -1.13040732       0.51898980       0.12887362 
O       3.94302084       6.54048476      -5.07793884       0.24909157      -0.03532502      -0.77496027 
O       3.93614496       5.70042709     -10.40317727      -0.09204463      -0.33651266      -0.23517690 
O       9.25783181       6.59348678      -5.14648088      -1.38666730       0.25094839      -0.59085676 
O       9.20548821       5.79734534     -10.45539731      -0.91348318      -0.34873894       0.37893503 
O       3.98301475       1.78274884      -2.41332036      -0.24399903       0.32110134       0.64026622 
O       3.80406623       1.01856073      -7.81604492       0.51235397      -0.01078079       0.06138668 
O       9.02729506       1.90997893      -2.48069002       0.04681208      -0.68104023      -0.94408533 
O       9.07949944       0.85109656      -7.78819233       0.18246714       0.87688828      -0.09249342 
O       3.86188396       7.04213949      -2.47435963      -0.01630330      -0.22885189      -0.31102001 
O       3.90231873       6.13310688      -7.79084247       0.18677301       0.36847405      -0.03340623 
O       9.00625139       7.04979177      -2.49478831      -0.85566919       0.52399385       0.64048652 
O       9.01797299       6.05716548      -7.82775265       0.65320184       0.37458920       0.49285349 
O       1.17320894       0.96192579     -10.48532965       1.89431237       1.33079288      -0.63625756 
O       1.04103587       1.71484658      -5.46264499      -0.08126337       0.81350365       0.71218189 
O       6.42950603       2.76722409      -0.06502508       0.18978331       0.24044224      -0.41498199 
O       6.34910852       1.87628429      -5.25757886       0.82108909       0.91050762      -0.97689977 
O       1.29804335       7.98512393      -0.19437570       0.30776531      -0.45630851       0.02305523 
O       1.38653063       7.00207812      -5.42900101       0.35597602       0.20863404      -0.36984887 
O       6.44690447       8.03969738      -0.04364967       0.41770082      -0.73436461      -0.13736887 
O       6.45363717       7.06261578      -5.30653353       0.72463868       0.31586777      -0.37166938 
O       3.42117482       4.71177850      -0.75645689       0.41176493      -0.66182054      -0.16008180 
O       3.59427620       3.71855091      -6.14814408      -0.29463022      -0.42560953       0.96277791 
O       8.63475024       4.72187929      -0.69264421       0.50794113      -0.13853917      -1.40551705 
O       8.67375094       3.79495331      -6.02914452      -0.00798625      -0.02443410      -0.13052957 
O       3.55715469       9.80926474      -0.75452920      -0.19453783       0.38287021       0.18666425 
O       3.67177544       8.96816146      -5.89258567      -0.62674229      -0.17254968      -0.24075271 
O       8.84087509       9.93002260      -0.78176918       0.01829832      -0.99677003       0.08664894 
O       8.70924730       8.91189145      -6.02366615      -0.16922654      -0.04500649      -0.37477457 
O       1.06038343      -0.01925032      -1.87768783      -0.23346235      -0.62564150      -0.20777297 
O       0.98413321      -0.92356220      -7.09637977      -0.30281941      -0.71273373      -0.28070253 
O       6.14571476      -0.05129358      -1.72965132      -0.16048706       0.04387457      -0.76793952 
O       6.17127374      -0.87722367      -7.07409385      -0.18053890       0.38470558      -0.43579130 
O       0.78543263       5.16315844      -1.89959615       1.26570836      -0.71784764       1.84603150 
O       0.92981108       4.25586045      -7.07087164      -0.72558296      -0.49685755      -0.59246284 
O       6.00741650       5.27272726      -1.66918622       0.26054176      -0.11723153      -0.44498552 
O       6.11236918       4.30245700      -7.06455911       0.13147944      -0.02485933       0.24673573 
O       1.58861667      -0.57703617      -4.51165678       0.53424770       0.36936007       0.07562753 
O       1.75971522      -1.35742569      -9.72221402      -0.55242651       0.89786325       0.01283300 
O       6.90810421      -0.38463856      -4.36936640       0.19209451      -0.51685919      -0.19320060 
O       6.88694334      -1.31436383      -9.73540632       0.09872870      -0.33263041       0.95055946 
O       1.40122126       5.61508439      -4.85146506       0.66272204       0.12186892      -0.01876342 
O       1.77965731       3.92460502      -9.65733531      -0.68729515      -0.23140441      -0.21953401 
O       6.91818674       4.78213611      -4.43147736       0.44119910      -0.37056489      -0.05949979 
O       6.85490777       3.77477644      -9.64407748      -0.41065231       1.08390610      -0.44291397 
O       4.38424306       4.35003509      -3.35673408      -0.05482199      -0.96848034       0.64232873 
O       4.28688859       3.41812231      -8.60155462      -0.55721386      -0.94878705      -0.74963568 
O       9.40542543       4.14084272      -3.38880833       0.49296634       0.61306520      -0.11835462 
O       9.41176195       3.32687658      -8.70794497       0.76238088      -0.00477955       0.56490785 
O       4.21389344       9.39358450      -3.27848992      -0.03521650      -0.17351537      -0.79415064 
O       4.24201124       8.49855690      -8.56328787       0.53314643       0.38040171      -0.41138462 
O       9.59677643       9.33362231      -3.47030001      -0.52510086       0.26109459       0.35141617 
O       9.54842997       8.41459701      -8.67871072      -0.10934966       0.59538989       0.03723218 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008349415199505576 0.00025937389461625084 0.0023124084959809696 0.00025937389461625084 -0.012518462540032093 -0.004543421689904115 0.0023124084959809696 -0.004543421689904115 -0.015161460811899024" pbc="T T T" energy=-946.20490654 free_energy=-946.23986629 config_type=crystal 
Hf       2.84223933       2.04366986      -9.37033920      -0.01866655       0.56120642      -0.54812766 
Hf       8.00929749       2.94926175      -4.17361806      -0.58050362       0.03310029       0.51713957 
Hf       8.01036323       2.08345137      -9.40236966       0.34137095       1.14696813      -0.16519910 
Hf       2.90940521       8.17016930      -4.13030462      -0.98532563       0.43635858      -0.16995934 
Hf       2.76527872       7.32619424      -9.47542916       0.32221085      -0.67748667       0.37768490 
Hf       7.94595015       8.25255190      -4.21584952      -0.52085022       0.10292931       0.84095012 
Hf       8.02732757       7.26273381      -9.39633288      -0.39403762       0.26623990       0.06426497 
Hf       0.32661456       0.97106738      -3.76090979       0.21926882      -1.38458947       0.41050398 
Hf       0.18665729      -0.08326427      -8.94433708       1.06378719       0.13618206       1.01407355 
Hf       5.31762175       0.84215191      -3.74134447       0.37477709       0.89390760       1.30266692 
Hf       5.48171547      -0.00204741      -8.98135196      -1.39762900      -1.59074630      -0.77041913 
Hf      10.29744400       5.93812346      -3.47556920      -0.19922022       0.45866124      -0.09903750 
Hf       0.22575649       5.02812858      -8.89977281       0.97007993       0.35104053      -1.17618420 
Hf       5.33765985       5.89193613      -3.75211492       1.33846584      -0.49831271       0.75675345 
Hf       5.43718734       5.03713429      -9.00721669       0.17343367       0.00494482      -0.13786055 
Hf       2.41918122       1.25050119      -1.12670595       0.19989656       0.86912141       0.04242435 
Hf       2.39566413       0.38209098      -6.27000672      -0.24826847      -0.24270398       0.40910268 
Hf       7.56178416       1.19055395      -1.08830552      -0.88369666       0.43150671      -0.65512679 
Hf       7.56702794       0.34653573      -6.37256447       0.34533400       0.93280032       0.46405360 
Hf       2.30445054       6.32376472      -1.12393138       0.55482717       0.51661785       0.87335663 
Hf       2.59709580       5.32740212      -6.47933694       0.32151116       0.25872721      -0.21469405 
Hf       7.66250093       6.39515342      -0.96111739      -2.26980106       0.19828775      -1.93435528 
Hf       7.57752338       5.39529322      -6.30710015       0.05379901       1.02632200       0.11735929 
Hf       4.92611118       3.52789993      -1.58311429       0.79557992      -0.98087554      -0.60581598 
Hf       4.93812714       2.52186374      -6.75671976      -0.45945597       0.80421878       0.61175352 
Hf      10.18344657       3.34196380      -1.50227060       0.16104581       0.13744618      -0.14808883 
Hf      10.26015604       2.54442189      -6.76471018      -0.41884027       0.48410040       0.23583729 
Hf       4.90196735       8.46660111      -1.52409785       1.57088151       1.93005790       0.14674295 
Hf       5.02761542       7.76531037      -6.87046472      -0.38482225      -1.14978051       0.04434546 
Hf      10.13684994       8.68758964      -1.52886302       1.37472426       0.02466578      -1.08847193 
Hf      10.11946219       7.71917026      -6.79407139       0.57349268       0.60216584      -0.33354994 
O       1.30028162       2.37903970      -2.63697295      -0.61104716       0.06760668       0.68775481 
O       1.35160552       1.50458508      -7.91234264       0.25648899      -0.42114016      -0.57435921 
O       6.58547578       2.39216700      -2.72570017      -0.14595081      -0.44868658       0.19366325 
O       6.57712199       1.48095220      -7.93137474      -0.06641662      -0.09151617      -0.25785904 
O       1.26446077       7.58276863      -2.76602441       0.10452134      -0.83820981       0.31629396 
O       1.33876967       6.69893327      -8.02802107       0.01699269      -0.69499454       0.25440649 
O       6.45540747       7.58460542      -2.68782550       0.36354447      -0.44499214      -0.90159978 
O       6.63597023       6.60338427      -8.04640686      -0.66519740       0.07210975       0.70904871 
O       3.97047720       1.15606902      -5.13957318      -0.25001067       0.49194086      -1.68042135 
O       3.87975600       0.50173466     -10.39067548       0.74406590       0.37599650       0.52476327 
O       9.18241469       1.52085590      -5.22120672      -0.81877305      -0.78658948       0.76334564 
O       9.07833198       0.49556596     -10.32818346       0.49252991       0.20194501      -0.68627349 
O       3.96627349       6.55691418      -5.23292590      -0.12407830      -0.01593962       0.28104810 
O       3.97613066       5.61057087     -10.48565590      -0.88217543      -0.07181301       0.58501827 
O       9.15056604       6.76398446      -5.14738236       0.23884783      -0.79904295       0.34796312 
O       9.12438001       5.68412902     -10.49000052       0.64672336       0.28896864       1.58250955 
O       3.95858000       1.82074429      -2.40101872       0.34673342      -0.32909276      -0.01723180 
O       3.82179779       0.87495602      -7.80242262       0.80500673       0.83867663       0.36471099 
O       9.07853200       1.80635509      -2.62749082      -0.16834973       0.21866885       1.47874222 
O       9.14088727       1.07208758      -7.70452818      -0.81021795      -0.63666086      -1.08384717 
O       3.82350388       7.02572118      -2.53994471      -0.38030130      -0.63495524      -0.52614530 
O       3.95703735       6.04309561      -7.87109529      -0.57619028       0.65727405       0.37937562 
O       9.00564532       7.10643696      -2.52869701      -0.68483525      -0.08585255       0.40661046 
O       9.12033371       6.13571563      -7.76935659      -0.26762902      -0.27045775      -0.11185449 
O       1.23987920       1.08825671     -10.47907539      -0.36452517      -0.32121613      -0.92919912 
O       1.25618313       1.88854303      -5.38776017      -0.28251724      -0.27355837       0.09933775 
O       6.46573719       2.80689888      -0.09149842      -0.03601356       0.12710648       0.32522184 
O       6.30526054       2.10067501      -5.30307621       1.60810840      -0.68275142      -0.35688728 
O       1.26952012       7.97395798      -0.10978782      -0.23084627      -0.85796766      -0.07575990 
O       1.38683278       7.17761642      -5.45413353       0.50959079      -1.16313478       0.65650927 
O       6.41662757       7.93759557      -0.07831200       0.63955916       0.18409592       0.14830992 
O       6.45027394       6.98317066      -5.34677839       0.03097102       0.51644622      -0.59112374 
O       3.57343410       4.68776787      -0.77627444      -1.38877888       0.66544272       0.34114059 
O       3.55753695       3.73482146      -5.97785598       0.17411856      -0.00702216      -0.83384140 
O       8.58443274       4.66534157      -0.81459989       1.67178632      -1.71161654       0.11255243 
O       8.76198324       3.83063059      -5.94452167       0.48117554      -0.07153681      -0.82059079 
O       3.39766304       9.74727801      -0.80899479       0.57450965       0.08169834      -0.49580175 
O       3.55862024       8.89214949      -6.01966616       0.09078199       0.09282852      -0.26023105 
O       8.71443050       9.80968863      -0.70548369      -0.13095636       0.90667892      -0.08761298 
O       8.68714112       9.02557156      -6.06996995       0.20203424      -0.52555710       0.23668768 
O       1.03436197       0.01564424      -1.79905966      -1.79760948      -0.77820829      -0.88415541 
O       0.91132561      -0.89128884      -7.00039644      -0.10281913      -0.04700485      -0.49681241 
O       6.11733605       0.00255049      -1.74438144      -0.43657774      -0.39397545      -0.62414255 
O       6.19347427      -0.93408960      -7.14189046      -0.22249725       0.66735148      -0.59116149 
O       0.74503226       5.19074604      -1.77830221       0.55569210      -0.34288943       0.20195063 
O       0.96809620       4.24926581      -7.13152061       0.54439015       0.51519817       0.32615333 
O       6.13517588       5.17674162      -1.76713190      -0.35808301       0.40748530      -0.78504859 
O       6.11834422       4.34678555      -7.08690131      -0.61799434      -1.20102469       0.07306040 
O       1.66322398      -0.50214857      -4.43235416      -0.11584501       0.46778583      -0.09030172 
O       1.65464004      -1.27990665      -9.70306546       0.06084890       0.00956987       0.10557001 
O       6.75384677      -0.37934188      -4.64582202       0.24933033      -0.17180715       0.94403100 
O       6.83903597      -1.31611681      -9.71162197       0.88299415      -0.30104647       0.03820756 
O       1.46890271       5.75781554      -4.76338510       0.16088826       0.80554810      -0.90926600 
O       1.76322974       3.73754455      -9.75209406      -0.78983757       1.30193967       0.40843909 
O       6.99463937       4.71733056      -4.35546814      -0.82066479       0.80058013      -0.41292145 
O       6.92240157       3.78843589      -9.74480161      -0.11883504       0.06406327       1.21681162 
O       4.19571822       4.28198977      -3.33803023       0.74674334       0.68083938      -0.04701449 
O       4.46131193       3.24797413      -8.73908593      -0.92445081      -0.66396607       0.49482530 
O       9.47927518       4.13970526      -3.35473677       0.37621734       0.34549151      -0.08784742 
O       9.49692902       3.40034946      -8.68423423      -0.62157334      -0.87708275      -0.02891861 
O       4.25198177       9.45612512      -3.35384306      -0.27486091      -1.42431685       0.16677114 
O       4.35449253       8.42407792      -8.80671505       0.24500263       0.46052192       1.10425855 
O       9.29209350       9.44965101      -3.31905032       0.93796292       0.51707960      -0.34640683 
O       9.45019659       8.54887983      -8.58349393      -0.58862596      -0.54143594      -0.53269717 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015405439312724242 -0.0004987562167777702 0.0036160854207865872 -0.0004987562167777702 -0.01953419331157925 0.006048037341327307 0.0036160854207865872 0.006048037341327307 -0.015629649006796944" pbc="T T T" energy=-946.57763516 free_energy=-946.61434409 config_type=crystal 
Hf       2.81465164       2.09204670      -9.40619061      -0.53941060       0.54107821       0.23131982 
Hf       8.01226642       2.95848881      -4.18517291      -0.85069654       0.49390906       1.32269951 
Hf       7.98568908       2.10889750      -9.36263639       0.66369592      -0.00287596      -0.40073570 
Hf       2.83017515       8.06095056      -4.04093309      -0.77796941       0.61427526      -1.28664068 
Hf       2.76176265       7.31423728      -9.58007075       0.15393129      -1.47261346       2.47464207 
Hf       7.94657980       8.23021936      -4.27008578       0.63776179       0.10816405       0.59824556 
Hf       8.00780618       7.27025731      -9.38633464       0.44593871      -0.35178872      -0.04748006 
Hf       0.29115799       0.81696456      -3.72969533       0.12406150       0.35985395      -0.28037662 
Hf       0.25380976      -0.09100892      -8.99793470      -0.15345643       0.25733693       0.97750894 
Hf       5.21873700       0.89546228      -3.78492169       1.48658774      -0.77854542       1.47607950 
Hf       5.36187475      -0.12876251      -8.97961590       0.11559827      -0.05651426       0.06101910 
Hf      10.25245236       5.97112151      -3.43016373       0.45331096      -0.34209136      -0.80496703 
Hf       0.23968644       5.02833993      -8.98299919       0.23367968       0.41840616       0.01831173 
Hf       5.47506174       6.01487644      -3.67460590      -0.28354768      -1.11354516      -0.33963966 
Hf       5.36559499       4.97995309      -8.96229172       0.75989578      -0.24413191       0.65186876 
Hf       2.44953729       1.27186791      -1.15843798      -0.89754810       0.16014706      -0.08884758 
Hf       2.39675688       0.42082844      -6.20854670       0.06570774      -0.21344899      -0.80856742 
Hf       7.52841054       1.23292695      -1.09859231      -0.32653962       0.41683914      -0.17868656 
Hf       7.59689858       0.38901926      -6.38669322      -0.47695843      -0.51763808       0.89364219 
Hf       2.34824491       6.36887790      -1.12849209      -0.34379719      -0.01051246       0.52210114 
Hf       2.67434629       5.27778550      -6.45921435      -1.58350793       1.05746445       1.30126044 
Hf       7.52516211       6.39011543      -0.98166220       0.87922610       0.02122478      -0.37599195 
Hf       7.63294781       5.40952964      -6.39562459      -0.47800565       0.57625817       0.86745154 
Hf       4.86191952       3.47853683      -1.58757032       0.83879354       0.16320619      -0.49896735 
Hf       4.98585589       2.48455015      -6.74483068      -0.36188521      -0.34789426      -0.00766790 
Hf      10.18790743       3.39379128      -1.46337770      -0.36421319       0.34248618      -0.20869132 
Hf      10.29996988       2.60207791      -6.74804712      -0.93128653      -0.20654345      -0.24887704 
Hf       5.02687584       8.60453885      -1.49188657       0.28713540       0.28631997      -0.42454341 
Hf       4.97215026       7.67986619      -6.75664321      -0.42469139       0.35991125      -0.31836077 
Hf      10.20857477       8.74142636      -1.54568496      -0.37710268      -1.73906968      -0.27658543 
Hf      10.21109628       7.72395486      -6.86874200       0.30227237      -0.39869019      -0.17023931 
O       1.22135175       2.22500105      -2.51912111      -0.36679089       0.51632753       0.05229349 
O       1.38309456       1.45032852      -7.97113667      -0.57131806       0.55670066       0.39558203 
O       6.45733331       2.26879573      -2.71584810       0.32457348       1.24502061      -0.29336578 
O       6.57992435       1.42662769      -7.96577087      -0.82703012      -0.38607783       0.19133327 
O       1.25267111       7.46588959      -2.73226177       0.35058449       0.71480372       0.03988654 
O       1.37951864       6.64457084      -8.11770562      -0.49300427      -0.12165110       0.41072051 
O       6.57904959       7.59944971      -2.71086725      -0.93186676       0.09939231       0.04633667 
O       6.60033328       6.54479463      -7.95654978      -0.64723082      -0.01083292       0.18860052 
O       3.95813186       1.30399784      -5.19828100       0.00554604      -0.02045096      -1.18965058 
O       3.87400279       0.57202505     -10.39927704       0.13182038      -0.50604965       0.17687882 
O       9.03817391       1.44720681      -5.14375125       0.71853647      -0.49725616       0.14991820 
O       9.09443611       0.57435899     -10.31263996       0.05196831      -0.64593175      -0.40919457 
O       3.98142815       6.54834475      -5.17722145       0.53391958       0.38555918       0.73026243 
O       3.95299106       5.58952890     -10.26738055      -0.66155362       0.70388298      -1.54975613 
O       9.23529859       6.54520069      -5.19377720      -0.56169312       0.59862261       0.16653259 
O       9.11222627       5.74294676     -10.30553653      -0.18871239      -0.74340489      -0.51274351 
O       3.93807506       1.77698278      -2.39085489       0.24034569       0.20163987      -0.15183222 
O       3.83460258       0.93652718      -7.79796659       0.36644843      -0.32059140       0.27401337 
O       8.93309810       1.99735723      -2.48299574       0.51944491      -1.29277513       0.21239270 
O       9.01437806       1.02913675      -7.71751174       1.31632886      -0.03412563      -0.42410225 
O       3.83529135       7.04671396      -2.43347246       0.63195954       0.15145132      -0.60468204 
O       3.90454059       6.08571669      -7.74180831       1.29075862       0.33029785      -0.93315698 
O       8.95270345       7.15655698      -2.52215315      -0.28029451      -0.31127674       0.85874662 
O       9.11668121       6.16395478      -7.78037086      -0.33040375      -0.29755266       0.39381242 
O       1.16890964       1.08658667     -10.49556226       0.97144565      -0.19738540      -0.39430249 
O       1.18806259       1.92914597      -5.32828108      -0.31656242      -0.81190500      -0.16051642 
O       6.39778809       2.79561659      -0.10172746       0.02140693       0.03565983       0.05755135 
O       6.45039488       1.99409636      -5.26585122      -0.19040431      -0.31325759      -1.26805988 
O       1.18046022       7.81102821      -0.15217878       0.34658424       1.63891227      -0.37032928 
O       1.36941615       7.11478276      -5.38385060       0.30569536       0.84462445      -0.64533445 
O       6.44172834       7.97058589      -0.02574439      -0.16288230      -0.28825606      -0.36138036 
O       6.51280253       7.02731485      -5.32056325      -0.24522369       0.42894802      -0.90394250 
O       3.31304957       4.61930447      -0.84362708       0.97844483      -0.62258200      -0.39058038 
O       3.60370737       3.71959499      -6.03351412       0.49885763      -0.64929858      -0.24681424 
O       8.68828706       4.68422478      -0.73798258      -0.30637912       0.38458946      -0.40445988 
O       8.77730031       3.82431603      -5.98209276       0.26770858      -0.50937809      -0.38843524 
O       3.42762366       9.68437116      -0.86283506       0.35621698       0.58413019      -0.79404440 
O       3.32982397       8.81053062      -6.04904092       1.32791141      -0.09067844      -0.14224043 
O       8.65335957       9.73625324      -0.82773507      -0.31344710       1.36859345      -0.14816330 
O       8.66215672       8.86596907      -6.19683004      -0.43282106       0.54928653       0.28551891 
O       1.08839161      -0.10812938      -1.96796210      -0.32097269       0.27481441       0.60586289 
O       0.96444194      -0.85309996      -7.07873395      -0.80863029      -0.54664477      -0.33908669 
O       6.09055538       0.03254053      -1.77090245      -0.86896998      -1.11301976      -0.34059842 
O       6.00159658      -0.87458273      -7.04195566       0.26047589       0.23882132      -0.36349023 
O       0.79624249       5.23332957      -1.76266138      -0.10525254      -1.08499020       0.22116498 
O       1.04177171       4.28354519      -7.03465827      -1.01748854      -0.52200537      -0.59250006 
O       6.02155000       5.30868546      -1.77704183       0.08482157      -0.64385017       0.55277817 
O       6.10920191       4.13458655      -7.09866112       0.89851555       1.26939431       0.28859066 
O       1.72609887      -0.43421033      -4.44725134      -0.42635298      -0.21304381       0.24341253 
O       1.71666958      -1.29119422      -9.80944059      -0.43499517       0.34662822       0.04881661 
O       6.84676417      -0.39909223      -4.49708879       0.00628402      -0.01229867       0.00931263 
O       6.88477405      -1.36632350      -9.75980359      -0.48093739       0.64664226       1.00062851 
O       1.55510402       5.85388526      -4.67831450      -0.03928553      -1.08789171      -0.18762737 
O       1.82477125       3.94125895      -9.70421633      -0.21994172      -1.24808336       1.10831475 
O       6.95936203       4.79135641      -4.37773011       0.37044047      -0.49171801      -0.43415782 
O       6.86164556       3.77056327      -9.69069536      -0.09398015       0.66053453       0.00003693 
O       4.38648549       4.32671501      -3.39975519       0.08523691      -0.05997441       0.31184295 
O       4.42622785       3.11964392      -8.75102289      -0.07104812       1.20851048       0.17007448 
O       9.55925604       4.11251344      -3.37098317       0.04683287       0.64236924      -0.48489500 
O       9.49527135       3.34401619      -8.67078435       0.31479361      -0.02402924       0.37776668 
O       4.15973195       9.40573704      -3.43920473       1.23116412      -0.24619670       0.58004964 
O       4.29846348       8.38524339      -8.74991487       0.28070279       0.28873497       0.33690889 
O       9.54469684       9.35047273      -3.47951186      -0.22271676       0.54765499      -0.21123816 
O       9.60801437       8.44422611      -8.80527637      -0.34190751      -0.00946741       0.58818669 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010907120646458008 0.0032015489449838314 0.005394259039733456 0.0032015489449838314 -0.01652950368653888 -0.0011299141096541958 0.005394259039733456 -0.0011299141096541958 -0.021247657142195644" pbc="T T T" energy=-947.08572964 free_energy=-947.1174088 config_type=crystal 
Hf       2.76997680       2.06095133      -9.37794194       0.49942229       0.29462021      -0.29269377 
Hf       8.03264501       3.00225434      -4.11294831      -1.02079824      -0.48051821       0.61482268 
Hf       8.04838017       2.01336673      -9.37282091       0.01617634       1.47971061       0.08136609 
Hf       2.82445208       8.16449762      -4.15119658       0.96553003      -0.67971408       0.40068360 
Hf       2.78757016       7.30534067      -9.50636725       0.83349707      -0.25419269       0.59020381 
Hf       7.93386323       8.24220704      -4.23814930      -0.07641394       0.20319690       1.26388897 
Hf       8.05703030       7.20077802      -9.39624058      -0.95053432      -0.05259248      -0.20608111 
Hf       0.29559891       0.81847978      -3.67220001      -0.35090019      -0.06090251       0.10306091 
Hf       0.24875322      -0.11187693      -8.99030707       0.12349384      -0.20799910       1.47830822 
Hf       5.27590472       0.89085338      -3.79148151       0.97777060      -0.02243339       1.88863892 
Hf       5.44275893      -0.06748506      -9.01403283      -1.06803353      -0.21857581       0.68306933 
Hf      10.21655555       5.95130568      -3.48611778       1.33499974      -0.32416228       0.89528822 
Hf       0.28358554       4.99319247      -8.98354826       0.01360938      -0.12888975       0.89370886 
Hf       5.43398121       5.90800495      -3.74993647      -0.34736276       1.72749526       0.02739816 
Hf       5.46215751       4.98712686      -8.98517197      -0.84636611       0.23720654      -0.00482768 
Hf       2.42652954       1.28491688      -1.15778390      -0.63893458      -0.22091394       0.82446716 
Hf       2.40060566       0.36110894      -6.29402639      -0.65583236       0.49831826       0.35485176 
Hf       7.49058726       1.25613591      -1.04917057       1.14500078      -0.11313760      -1.03966697 
Hf       7.57006419       0.46974280      -6.24817685      -0.35459352      -1.17228070      -0.45983331 
Hf       2.48526412       6.37411645      -1.12725072      -1.12127977      -0.25700234       0.07373126 
Hf       2.53477720       5.44308838      -6.44595190       1.10629940      -0.84828105      -1.61689621 
Hf       7.56810177       6.29420170      -0.98526937       0.09125032       0.36357216      -0.94445763 
Hf       7.51576368       5.40836199      -6.29180447       0.40859805       0.93666830      -0.73440538 
Hf       4.95684577       3.53905187      -1.67207315      -0.70501359      -0.90214572       0.27670081 
Hf       4.88686443       2.50599822      -6.71386393       0.14318633       0.58425497      -0.44009523 
Hf      10.25235718       3.39898086      -1.46790744      -0.39013186       0.12682261      -0.01223352 
Hf      10.19446412       2.51413868      -6.73439835       0.47568629       1.10511302       0.34224991 
Hf       5.03672449       8.65399508      -1.60632972       0.91405394      -1.06648199      -0.24036892 
Hf       5.00494671       7.79485582      -6.82736413      -0.52818949      -0.45439245       0.11669115 
Hf      10.18990174       8.58669454      -1.52177208      -0.18464780       0.91471860       0.37875257 
Hf      10.10238730       7.71919732      -6.85986018       0.06405088      -0.14875552       0.82644370 
O       1.25095110       2.28915888      -2.57731336      -0.20126333       0.02100660       0.03965391 
O       1.28006689       1.51279203      -7.94612501       0.10603129      -0.63260407      -0.31152150 
O       6.43951863       2.44961955      -2.74174895       0.45506064      -0.32761361      -0.20231694 
O       6.48692446       1.52942784      -7.96362046       0.41956454      -0.44546399       0.03650275 
O       1.24779224       7.46456528      -2.67765464       0.37944336       0.52982752      -0.93724412 
O       1.40208262       6.61141917      -8.04129560      -0.64671619      -0.08593178      -0.34442549 
O       6.52958181       7.55945966      -2.83490552      -0.32873893      -0.44636078       0.43071191 
O       6.52599976       6.52453111      -8.03386391       0.12949866       0.50424523       0.05985910 
O       4.01737338       1.26801742      -5.21614701      -0.97305549      -0.09003711      -1.56857687 
O       3.84195382       0.49650277     -10.36262726       0.76054990       0.28637592      -0.15744855 
O       9.09185173       1.43707215      -5.02737149      -0.37586389       0.00811826      -0.37076228 
O       9.17949231       0.52356845     -10.34913643      -0.81280160      -0.32792678       0.51787321 
O       3.97869613       6.61206826      -5.19523993       0.12507317      -0.13040557      -0.16944601 
O       3.96899564       7.51134671      -0.04095669       0.16899942      -0.25979634       1.29256613 
O       9.13218582       6.61103926      -5.10176561       0.24139486       0.06864192       0.05679903 
O       9.20244853       5.67701181     -10.27755971      -0.64528187       0.21278512      -0.77657640 
O       3.82466936       1.76166073      -2.44684569       1.97936671       0.66915283      -0.67647820 
O       3.77953516       0.92621565      -7.82623049       0.52172963       0.72633037       0.55375999 
O       9.00253509       2.00281131      -2.44533329      -0.56078887      -1.27860674       0.20331608 
O       9.07109099       1.00013327      -7.65392775      -0.32506480      -0.33910099      -0.63836152 
O       3.90756957       6.91921468      -2.54961922      -0.49992467       1.29588840      -0.06774994 
O       3.90674697       6.19478584      -7.85836742       0.10525728      -0.39419711      -0.12466893 
O       8.97301242       7.05839486      -2.40246013      -0.16303644       0.25215029      -0.10760771 
O       9.00960423       6.09268677      -7.68936439       0.47094729       0.22776468      -0.21403121 
O       1.19744524       2.77602833      -0.01196521       1.07522286       0.74937404      -0.16437942 
O       1.12755253       1.77033853      -5.33364961       0.22949806      -0.12087728      -0.73251297 
O       6.42584314       2.86488936      -0.10938333       0.34433731      -0.53491545       0.28731100 
O       6.44053792       1.97120267      -5.27252413       0.07030691       0.34122907      -0.85587761 
O       1.27154882       7.89182170      -0.13583473       0.46656712       0.47536217       0.23059032 
O       1.40074279       6.99857747      -5.54573580      -0.10968494       0.56993530       1.31849405 
O       6.49941037       7.89532513      -0.17513747       0.06011239       0.19465996       0.70252106 
O       6.46399464       7.17644130      -5.42428572       0.35958847      -1.07641759      -0.16277132 
O       3.53174616       4.66315879      -0.74080819      -0.20033528       0.12085096       0.10781745 
O       3.50090018       3.75838196      -6.07249513       0.23871812       0.19255394      -0.17446753 
O       8.77271154       4.67377170      -0.68856148      -0.11358957      -0.21454236      -0.19028890 
O       8.68053694       3.77215007      -5.98558168       0.53085063      -0.35267316      -0.03861351 
O       3.55692434       9.78863856      -0.93441619      -1.19014877       0.83023801       1.07387593 
O       3.42674849       8.88089488      -6.03098831       0.73163324      -0.04535412       0.05889644 
O       8.71032768       9.83071236      -0.72335695       0.15281154      -0.07706271      -0.05148323 
O       8.63642713       8.89352906      -6.05582629       0.33847027       0.90573697      -0.40232609 
O       0.93651106      -0.04279248      -1.74540671       0.04131366      -0.05771382      -0.49496274 
O       1.00026643      -0.94558022      -7.04347026      -1.14578268      -0.26399909      -0.70667459 
O       6.21963235       0.03866598      -1.91401314      -0.83352074      -0.44542187       0.30021530 
O       6.17829010      -0.83066688      -7.10071955      -0.41666977       0.14771560      -0.28890377 
O       0.88989510       5.14693038      -1.78882915       0.24883631       0.03371031      -0.26392038 
O       0.99823876       4.25599928      -7.05152358      -0.77643530      -0.34238435      -0.10206846 
O       6.22645254       5.14750336      -1.90073158      -0.25959047       0.00440442       0.38850662 
O       6.10538940       4.22812499      -7.03537011      -0.59682466      -0.24102184      -0.52607922 
O       1.66305773      -0.52619474      -4.45169424      -0.11839893       0.31797045       0.47892485 
O       1.74543054      -1.22685142      -9.67500118       0.09129616      -1.22384262      -0.23874133 
O       6.83926238      -0.37369258      -4.43204869       0.15592115       0.31978339      -0.76918344 
O       6.84320383      -1.35766995      -9.75058502      -0.14333193       0.10979900       0.43896147 
O       1.51713456       5.74643524      -4.66869943      -0.20500020       0.16206664      -0.02146308 
O       1.72938574       3.81826752      -9.68993774       0.17767429      -0.18591733      -0.26246061 
O       6.91039652       4.74764116      -4.40117750       0.63094285      -0.27721189      -0.63415747 
O       6.87597565       3.72366937      -9.74021023      -0.30928309       0.16756578       0.84038895 
O       4.23908305       4.41738350      -3.31141261      -0.28422367      -0.89594479      -0.28138917 
O       4.25758152       3.33705249      -8.70844522       0.11030243      -0.23692518       0.73212950 
O       9.50147893       4.13475041      -3.32057374       0.25271828       1.15711292      -0.76103845 
O       9.47120047       3.33902342      -8.68143845       0.12289242      -0.43505165       0.61296241 
O       4.38335604       9.35137754      -3.44914480      -1.20164532      -0.71732793      -0.50837480 
O       4.21110697       8.56145801      -8.61435967       0.52510800      -0.04505740      -0.75434254 
O       9.41941015       9.46196240      -3.36590634       0.15170333      -0.81581578       0.00762222 
O       9.44481026       8.42953403      -8.60667345       0.48097989       1.00119003      -0.72044271 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0166308536050759 0.0018500260779738375 0.004295272881065873 0.0018500260779738375 -0.02024532665681 -0.0030614141763914077 0.004295272881065873 -0.0030614141763914077 -0.016279921795997788" pbc="T T T" energy=-946.65519034 free_energy=-946.69062246 config_type=crystal 
Hf       2.73039268       2.10932629      -9.49546701       1.63766285      -0.00334551       0.62275643 
Hf       8.05159877       2.99203444      -4.19807896      -0.96701020      -0.09810658       0.92021617 
Hf       8.04204116       2.16972523      -9.42528477      -0.96033566      -0.68389396       0.22821892 
Hf       2.92069665       8.10015823      -4.14751613      -0.98835045      -0.30401737       0.31601816 
Hf       2.83422394       7.30197976      -9.51236392       0.30892088      -0.14484286       0.88244478 
Hf       7.96873877       8.26983968      -4.18387682       0.04706520       0.12985766       0.41475305 
Hf       7.99250314       7.29160417      -9.45048282      -0.43874785       0.10700138       1.39488363 
Hf       0.36105350       0.78270952      -3.68698536      -1.20995996      -0.13912039      -0.43919497 
Hf       0.28505525      -0.14383574      -8.86470684      -0.87852847       0.30112052      -0.25590219 
Hf       5.25318551       0.81117195      -3.69952473       0.34967339       1.38687335       0.04610593 
Hf       5.45701317      -0.00886041      -8.93938133      -0.40565038      -0.57126390      -0.58040350 
Hf      10.31260489       5.98562990      -3.43759898       0.35165117      -0.86406583      -0.79328919 
Hf       0.22839479       5.01995784      -8.94938566       0.41510071       0.00309859       0.63556411 
Hf       5.46528862       5.87276512      -3.70578361      -0.02680438       0.77999525      -0.38804785 
Hf       5.42397619       5.02556110      -9.07507115      -1.03578591      -0.12884830       2.03085448 
Hf       2.39570985       1.28568210      -1.09655383       0.14664138      -0.19995176      -0.75664387 
Hf       2.38904510       0.28027336      -6.30228164       0.17524791       1.32131225       0.27430687 
Hf       7.53224954       1.23108294      -1.15176202      -1.20204523       0.74120996       0.14433243 
Hf       7.56282589       0.41785079      -6.27377171       0.55600261       0.10319780      -0.44559839 
Hf       2.28289587       6.41579901      -1.15396473       0.96235726      -0.67071424       0.33711525 
Hf       2.56183373       5.32499806      -6.48980476       0.29794950       0.45732617      -0.36265290 
Hf       7.62540508       6.46293098      -0.99397593      -2.24361638      -0.44867867      -0.71074585 
Hf       7.52991328       5.46397397      -6.31542595       0.85154414      -0.40001786      -0.50144548 
Hf       4.92124862       3.61476947      -1.61183434       0.14414170      -1.82131995       0.09680006 
Hf       4.99689870       2.45854864      -6.77550016      -0.31049246       0.75285739       0.77144367 
Hf      10.16306278       3.35080420      -1.50596859      -0.27134673       0.24475426      -1.17606631 
Hf      10.21456560       2.52562285      -6.73901819      -0.50127809      -0.11018806      -0.19755464 
Hf       4.98960918       8.54032035      -1.58356372       0.12776594      -0.12803828       1.03557859 
Hf       4.98224454       7.75145673      -6.79438147       0.07576508       0.03006610      -0.66469455 
Hf      10.15990600       8.63467166      -1.45756079       0.15751756       0.60988839      -1.07612900 
Hf      10.08731026       7.67308544      -6.78695966       0.83643870      -0.38755049       0.35897315 
O       1.19033807       2.29228015      -2.62334571       0.30445225      -0.36234281       0.56409848 
O       1.39425187       1.44643955      -7.99511591      -0.27852578      -0.56729792      -0.02086663 
O       6.45291962       2.27962717      -2.73567299       0.59339175       0.64837683       0.46661688 
O       6.56392517       1.53691473      -7.90170365       0.92798864      -0.23347908      -0.73824242 
O       1.20466940       7.52148333      -2.68724104       0.45723028      -0.31320507      -0.40137947 
O       1.25679533       6.60962085      -8.05719380       0.61363851      -0.24930955       0.00741980 
O       6.56374718       7.56010833      -2.65757416       0.06249208      -0.14310572      -0.92479205 
O       6.61041374       6.46351795      -7.98611744      -0.57548971       1.01563040      -0.42028140 
O       3.93277986       1.27578942      -5.25468941       0.62752715      -0.39792370       0.11095632 
O       3.97210463       0.53046040     -10.40547165      -0.86932967       0.39051429       0.16661337 
O       9.06797670       1.49055948      -5.19613416       0.34379962      -0.79713483       0.69045912 
O       9.09369019       0.65348548     -10.37233085       0.68906176      -1.06857570      -0.30774344 
O       4.03638554       6.48078764      -5.18328207      -0.28158241       0.77579068      -0.23989676 
O       3.90783920       5.60092054     -10.41752233      -0.16734972       0.41898904      -0.36344429 
O       9.14152036       6.68187370      -5.04809187       0.09169196      -0.03115897      -0.08478406 
O       9.12458334       5.67045468     -10.33782215      -0.24673882       0.36774129       0.02269533 
O       3.87687996       1.85892386      -2.38129830       0.36976974      -0.56926597      -0.47011517 
O       3.93472585       0.99360195      -7.80496439      -0.85299105      -0.47878134      -0.08427910 
O       8.97346668       1.88696681      -2.63531124       0.19414154      -0.43564393       1.55038058 
O       9.13756311       0.94910406      -7.74017315      -0.29631916       0.14016632      -0.18140819 
O       3.78815246       7.06674361      -2.54270059       0.06968698      -0.89174360      -0.02519278 
O       3.79977317       6.25945454      -7.89137990       0.77328203      -0.43591322       0.44468105 
O       8.97694307       7.08277042      -2.40289486       0.37659372       0.29821651      -0.26408497 
O       9.10395767       6.05337949      -7.66858710      -0.32494568       0.11410576      -0.14580473 
O       1.23685157       2.81328706      -0.12915048       0.22808048      -0.11788951       0.83835112 
O       1.13154147       1.71632702      -5.41837872       0.47960029      -0.53386781       0.10415542 
O       6.43338244       2.84020133      -0.06655796       0.33777888      -0.15037130      -0.31035192 
O       6.43194930       2.06570080      -5.25470716      -0.13043041      -0.92154008      -0.79927088 
O       1.21725620       7.84714530      -0.13059840      -0.02435440       1.09905496       0.55623266 
O       1.37204531       6.84193304      -5.33670297       0.44103534       0.23159939       0.14230419 
O       6.38567446       7.99047714      -0.01967862       0.84090191       0.09676620      -0.70379572 
O       6.49057000       7.14801381      -5.49309060       0.37690195      -0.22310683       0.99970234 
O       3.41046897       4.70620469      -0.85805677      -0.08248648      -0.35801348      -0.07255745 
O       3.69662830       3.80582114      -6.16768566      -0.54097357       0.23449998       0.11500123 
O       8.45687285       4.68924932      -0.93741253       1.58280059      -1.08368099       0.45581410 
O       8.75832825       3.76940104      -5.98037318      -0.14520259       0.82560982      -0.75904322 
O       3.49907346       9.71353888      -0.89928848      -0.90386659       0.90842186       1.12097949 
O       3.51528731       8.87845742      -5.93995234       0.67500386      -0.42355710      -0.66685402 
O       8.63853220       9.83217243      -0.79932837       0.56552945      -0.37099867       0.47994547 
O       8.77630450       9.00628138      -6.01416617      -0.68216464       0.17114963       0.21283659 
O       0.96757274      -0.08267814      -1.77548490       0.04911443       0.50008385      -0.30610797 
O       1.00160781      -1.02688353      -7.08242932      -0.12124595       0.31534571      -0.23400737 
O       6.12042291      -0.07123838      -1.82175395       0.10267595       0.64580821      -0.17657812 
O       6.10304649      -0.79991944      -7.00794626      -0.31244755      -0.41098312      -0.71893054 
O       0.81863015       5.09736573      -1.73862628      -0.16680594       0.70282170      -0.28336773 
O       1.05001547       4.16016067      -7.07766521      -0.50816768       0.13596681      -0.42611833 
O       5.95503767       5.31572201      -1.76665612       0.84357271       0.53283678       0.53569107 
O       6.13403492       4.20061886      -7.03003140      -0.04695003       0.39147352      -0.45909477 
O       1.67059028      -0.59888036      -4.45260684      -0.04242117       0.38823640       0.06505612 
O       1.72535825      -1.28062006      -9.71281442       0.09693712      -0.36195459      -0.10579726 
O       6.81941151      -0.37231405      -4.50393150      -0.08402671      -0.05232812       0.40505944 
O       6.87845135      -1.35152779      -9.70614802       0.10586257       0.50852639       0.07058907 
O       1.60199698       5.50582053      -4.62085089      -0.31225659       0.31257082       0.06184823 
O       1.70637269       3.80620197      -9.74937525      -0.81987974       0.41704253       0.42158805 
O       7.10208541       4.86881923      -4.34579699      -0.41994506      -0.12436529      -0.12232069 
O       6.84037715       3.81378146      -9.70034088       0.65194344      -0.08363805      -0.06960726 
O       4.48431968       4.23206821      -3.49548745      -0.29582593      -0.40327249       0.31851457 
O       4.25867738       3.32962621      -8.76757769       0.14305940      -0.14683464       0.36689090 
O       9.62912589       4.12400964      -3.48609205       0.06067613       0.45349964       0.52063121 
O       9.43613852       3.35891208      -8.63598940       0.52170762       0.10444563      -0.16278380 
O       4.29440535       9.32717477      -3.34781930      -0.13290863       0.30786563      -1.10396735 
O       4.30952291       8.58111265      -8.66990241      -0.32454620      -0.77769470      -0.12609544 
O       9.40413330       9.43631993      -3.32860596       0.29969865      -0.23293690      -0.16941035 
O       9.52133146       8.41238402      -8.56051487      -0.83911342       0.46425948      -1.42512543 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.019985118228733053 -0.0010198033155571558 0.004186405545382928 -0.0010198033155571558 -0.021568485079220052 0.0002588228130509992 0.004186405545382928 0.0002588228130509992 -0.020454026849821828" pbc="T T T" energy=-946.83470436 free_energy=-946.8794162 config_type=crystal 
Hf       2.83428722       2.13421480      -9.37469789       0.35367927      -0.07607517       0.10176291 
Hf       7.93306598       3.00385552      -4.09747412       0.78733241      -0.94023282      -0.86450710 
Hf       7.98729760       2.08552689      -9.44114328      -0.02451315       0.51661243       0.70040389 
Hf       2.85292855       8.22362585      -4.17511167       0.04565703      -0.51033739       1.13616401 
Hf       2.74298562       7.32271623      -9.46233021       0.57444213      -0.35648039       0.66598065 
Hf       7.98044209       8.26115613      -4.17109929       0.06342377      -0.88027504      -0.14766671 
Hf       8.05084548       7.12359793      -9.45872735      -0.16097816       0.79430980      -0.37852686 
Hf       0.23916849       0.75130029      -3.81449291      -0.34158605       1.54500276       0.60587287 
Hf       0.25834606      -0.09894751      -8.94270876      -0.53339608      -0.55374452      -0.20950934 
Hf       5.26712159       0.89218833      -3.71751623       1.05744037      -1.14416729      -0.79100188 
Hf       5.44998154      -0.08888828      -8.97591728      -0.62415626       0.27268006       0.13012675 
Hf      10.39015224       5.93016269      -3.35761708      -1.26032970       0.96097115      -0.30054455 
Hf       0.19821805       4.94778742      -9.00662246       0.80184051       1.23237015       0.48682251 
Hf       5.44951522       5.95238398      -3.74090040      -0.70217816       0.82622916       0.63285739 
Hf       5.42382854       5.01059879      -8.87548391       0.01669844      -0.26837588      -1.44479207 
Hf       2.44491444       1.33770358      -1.13984942      -0.64752259      -0.85788196      -0.05936628 
Hf       2.38169428       0.40102908      -6.32658713      -0.04886629       0.17313621      -0.17566053 
Hf       7.58244184       1.17066398      -1.06779966      -0.53030789      -0.23513628      -0.61766615 
Hf       7.57056791       0.38376701      -6.36885923      -0.40289470       1.43800992       0.84101321 
Hf       2.50074586       6.37992778      -1.00021401      -0.68824016      -0.01669398      -1.73466742 
Hf       2.56094879       5.47105580      -6.49226232      -0.68590292      -0.24672320      -0.37415636 
Hf       7.52066727       6.31247862      -1.06934650       0.62525612       0.70427787      -0.32560646 
Hf       7.56028786       5.44181565      -6.33235531       0.48898230       0.43279751      -0.04628771 
Hf       4.93595536       3.44250965      -1.56960308       0.44565540       0.44015585      -0.70275165 
Hf       4.91639895       2.52165940      -6.73739627       0.45727526      -0.31418084       0.39147575 
Hf      10.19015361       3.34409847      -1.44974038      -0.24818867       0.34217908      -1.29968541 
Hf      10.16764937       2.59704277      -6.84234500      -0.34911639      -0.12787095       0.90440410 
Hf       4.97370849       8.56720559      -1.45803185       0.42337533       0.51980537      -1.23129156 
Hf       4.99535938       7.80563202      -6.81006683      -0.32278518      -0.53954264       0.09720936 
Hf      10.24697304       8.63107736      -1.52387524       0.14840679      -0.45367598      -0.47665878 
Hf      10.07258825       7.71185595      -6.86889866       0.44489723       0.16842914       0.43376684 
O       1.22976092       2.21261055      -2.62781287      -0.14687766       0.32105936       0.18048675 
O       1.40435466       1.37508607      -8.07045183      -0.52025460       0.65871705       0.58002222 
O       6.43904899       2.30155164      -2.76452608       1.62330411       1.05507692       0.35586597 
O       6.58041654       1.58602444      -7.91764228      -0.89163087      -0.88588837      -1.08341071 
O       1.27016556       7.52897761      -2.76350563       1.01046015      -0.16236402      -0.14633762 
O       1.31182981       6.67960245      -7.93332018      -0.15898076      -0.47937163      -1.06879635 
O       6.56700205       7.51401562      -2.72137907      -0.69026527      -0.01965282      -0.48300090 
O       6.58962369       6.44879388      -8.07976365       0.04541658       1.66506289       1.20694176 
O       4.03016331       1.20801446      -5.27075152      -0.55982281       0.29647616      -0.17748560 
O       3.87197969       0.58695283     -10.29701236       0.53818813      -0.60689674      -0.59188061 
O       9.13923937       1.48546455      -5.20265586      -1.45211292      -0.03402963       0.93120149 
O       9.13977686       0.52404630     -10.39201998      -0.08014955      -0.40698559       0.27374084 
O       3.93422276       6.54512468      -5.07945670      -0.08084097       0.37947375      -0.90503855 
O       3.94096543       5.66940936     -10.40154768       0.53594397       0.08923505       0.61302626 
O       9.13936863       6.60461702      -5.14958244      -0.19828988       0.59664893      -0.13419096 
O       9.23043364       5.56677927     -10.47065161      -0.34279872       0.75080970       0.63265559 
O       4.05753914       1.76961195      -2.37266042      -1.55036972       0.08942753       0.71647406 
O       3.85254028       0.95635705      -7.75374926       0.35621722       0.55033446      -0.68438172 
O       8.99735397       1.82718850      -2.50598614      -0.31799933       0.13612721       0.09145478 
O       8.96966145       1.03045232      -7.78034472       1.36451499      -0.27514525      -0.60563569 
O       3.91487873       6.98942783      -2.47129619      -0.39964547       0.54054281      -0.08784589 
O       3.84437663       6.23541249      -7.88833126       0.80120993      -0.23794170       0.54280481 
O       8.94253779       7.12992572      -2.46345604       0.78878595      -0.89592246      -0.31132289 
O       9.03365361       6.11298393      -7.88180200       0.26718213      -0.24511030       0.81974411 
O       1.22864116       2.87891816      -0.08926820       0.90136570      -0.32805079       0.35207590 
O       1.05858497       1.78125788      -5.54413205       1.36726543      -0.28588544       0.64600395 
O       6.45852674       2.87129930      -0.16361413       0.13633232      -0.90377524       0.72289627 
O       6.42704155       1.99375141      -5.35975102       0.53522823       0.10895929       0.55365667 
O       1.37612070       7.97174083      -0.20898138      -0.53099904       0.22800933       1.16313603 
O       1.35912986       7.11577578      -5.38518123      -0.37200715      -0.17055930      -0.35319800 
O       6.49807387       7.88453129      -0.16820152      -0.35093269       0.67457217       0.74131349 
O       6.49190484       7.13321762      -5.42124465      -0.26913655      -0.41857813      -0.17352272 
O       3.50384427       4.62190456      -0.78839201      -0.35346156       0.40298700       0.13166802 
O       3.51008769       3.83273348      -6.22618547       0.08528149      -0.43080624       0.15975307 
O       8.63920414       4.63881040      -0.76444889       0.81330447      -0.44434210      -0.72445244 
O       8.75450337       3.83048044      -6.06313764      -0.56164078       0.08644590       0.45993185 
O       3.48883549       9.81787717      -0.74097399       0.47261696       0.19045365      -0.66035767 
O       3.41189192       8.82238447      -6.10719641       0.22797920       0.07497986       0.46444796 
O       8.77947001       9.76726665      -0.77380942      -0.85355886       0.69553216       0.23592983 
O       8.58904624       9.00285208      -6.15221830       1.23375496      -1.67357685       0.24584863 
O       0.99205498      -0.02491501      -1.82268892       0.18066295       0.27294624      -0.37032450 
O       0.93095557      -0.91431406      -7.07394464      -0.74509915      -0.29975918      -0.40908947 
O       6.14473256      -0.05738408      -1.81543291       0.15721743       0.20322719       0.20671412 
O       6.02787717      -0.77954476      -7.08027912       0.22840687      -0.08966998       0.01188010 
O       0.90409334       5.19043985      -1.72918961      -0.10582679      -0.61981512       0.25972327 
O       0.96161515       4.26832005      -7.14317562       0.01023504      -0.19338751       0.08612533 
O       6.12575562       5.13529421      -1.80685141      -0.38758075      -0.18445934      -0.16788578 
O       6.08560596       4.23724967      -7.01268790      -0.05386700       0.47915523      -0.03425227 
O       1.64937610      -0.41319782      -4.52520516       1.18816376      -1.26117785       0.26310763 
O       1.64992689      -1.31763581      -9.78498252      -0.19130147       0.60898866       0.29986038 
O       6.97378636      -0.35174622      -4.45608212      -0.98238702       0.72024837       0.35087674 
O       6.86840144      -1.37635791      -9.70661204       0.42262533       0.10446046       0.01292564 
O       1.24437997       5.67963977      -4.92290043       0.50495139       0.40943373       0.23278034 
O       1.77892449       3.90190562      -9.66208483       0.43087271      -0.57414728       0.00325012 
O       6.87133202       4.73561486      -4.42009042       1.25430910      -0.38145851      -0.56088061 
O       6.99106614       3.89565423      -9.62418171      -0.17423249      -0.40430742       0.06635825 
O       4.41486544       4.30548355      -3.43548784      -0.34774094      -0.77748470       0.61627069 
O       4.40767920       3.30275134      -8.72644701      -0.87925478      -0.85151770       0.20961957 
O       9.57172522       4.13568970      -3.37601620      -0.67635387      -0.36161526      -0.07640522 
O       9.57474537       3.27663920      -8.71533298      -0.53619885      -0.26437646      -0.74394849 
O       4.29001441       9.39151507      -3.40677462      -0.19519842      -0.64466670       0.20735295 
O       4.35109313       8.50719797      -8.65815519      -0.44268834      -0.00689676      -0.67121466 
O       9.57923335       9.29316872      -3.45012839      -0.07575689       0.63331488      -0.22313235 
O       9.46514885       8.47636391      -8.68838428      -0.22363605      -0.19418075      -0.06770237 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015381559267601068 0.009618757526436128 0.004977936886894312 0.009618757526436128 -0.017237139602130937 -0.004126942581834983 0.004977936886894312 -0.004126942581834983 -0.01895666596659903" pbc="T T T" energy=-946.72042286 free_energy=-946.75336775 config_type=crystal 
Hf       2.73186208       2.17573161      -9.35673076       0.28729905      -0.47750353      -0.24976226 
Hf       8.02734855       2.99090144      -4.19718516      -0.17557417      -0.32784006      -0.28867713 
Hf       8.09793814       2.11981942      -9.41509228      -0.91999754       0.05327232       0.81161810 
Hf       2.89117076       8.16085761      -4.14329510      -0.05926884      -1.30005444       0.01220356 
Hf       2.80250476       7.25238269      -9.46412675       0.27029333      -0.18400232       1.58992916 
Hf       7.98440889       8.19681644      -4.14845730      -0.15059291       0.37424816      -0.14704437 
Hf       7.97197046       7.34333953      -9.41009232       0.16590253      -0.12025953       0.98155260 
Hf       0.32384752       0.80511260      -3.72658506       0.13160208       0.15101938       0.16166177 
Hf       0.28051625      -0.10927300      -8.97196664      -0.35730631       0.19320141       0.38893617 
Hf       5.33649749       0.91449056      -3.72182861       0.50122159      -1.01805710       0.18461763 
Hf       5.35359482       0.00422357      -8.96871955       0.67113030      -1.32618844      -0.74571314 
Hf      10.33579084       5.98932196      -3.53115321       0.62092739      -0.72833283       1.71218498 
Hf       0.20087911       5.04353005      -8.99165388      -0.35910306       0.49579594       1.43467612 
Hf       5.41976781       5.89776602      -3.69788612      -1.07057479      -0.48509254      -0.15838577 
Hf       5.37982803       4.97885503      -9.00845418       0.91939435       0.98557972       0.70173481 
Hf       2.49507494       1.30430671      -1.07731455      -1.48691146      -0.26917893      -0.97422020 
Hf       2.50457147       0.37702920      -6.24052864      -0.52451045      -0.20845738      -0.47778739 
Hf       7.49525084       1.34542550      -1.11204188       0.19599496      -0.79973996       0.46212363 
Hf       7.54347501       0.27386511      -6.35897346       0.30737616       0.69811627      -0.31512997 
Hf       2.39632485       6.32522663      -1.09137988      -1.41403111       0.28387068      -0.98724510 
Hf       2.57219899       5.25603112      -6.48765771      -0.38120096       1.12299556      -0.56634043 
Hf       7.51674431       6.37805987      -1.01661634       0.19499413      -0.52503928       0.14994239 
Hf       7.56538700       5.47171798      -6.34664755       0.65796788       0.85669455      -0.69449012 
Hf       4.85715120       3.50457238      -1.54640246       0.87703072      -0.68136853      -0.51799685 
Hf       5.00878540       2.56793976      -6.82529751       1.09538456      -0.68046859       0.80385014 
Hf      10.16601134       3.31763305      -1.48051822       0.40989827       1.12779628      -1.13571231 
Hf      10.16759503       2.46886243      -6.78681160       0.89043629       0.80124592       0.84349799 
Hf       4.97022930       8.58885821      -1.52053301       0.11021918       0.50447064      -0.56062239 
Hf       5.00308331       7.68815350      -6.78303202       0.20099927      -0.26285634      -0.83294500 
Hf      10.09571258       8.61633111      -1.43948414       0.99561212       1.09196624      -1.16760221 
Hf      10.15961123       7.80525157      -6.87807166       0.91269862      -2.06848917       0.80968166 
O       1.22887390       2.30829590      -2.53843441      -0.02093283      -1.01112059      -0.01834835 
O       1.32602670       1.45301301      -7.96961220       0.38659066       0.03208663       0.00803585 
O       6.53321655       2.48700129      -2.69922809       0.15725632      -0.57461078      -0.66883667 
O       6.60864479       1.40962685      -8.11897672      -0.18824324       0.74563085       1.37735740 
O       1.32749620       7.49408464      -2.75166528      -0.01214879      -0.35464854       0.11225077 
O       1.39563700       6.49806582      -8.03440648      -0.32730856       0.51350626      -0.43339910 
O       6.55286137       7.52965831      -2.68298043       0.00971455      -0.31877525      -0.27064325 
O       6.57111411       6.65686986      -8.03019448      -0.51268656      -0.22849465       0.39650209 
O       4.11334313       1.10855980      -5.24184278      -0.05252258       0.72859799      -1.05086629 
O       3.86027181       0.66453031     -10.42885949      -0.27195438      -1.11813404       0.70335649 
O       9.14880852       1.39536160      -5.17641668       0.11126113       0.42362863       0.25211453 
O       9.11439867       0.55758986     -10.36915401       0.17623761      -0.69706865      -0.39279325 
O       3.95646526       6.46932835      -5.23447274       0.99734518       0.36345821       0.90896471 
O       3.83468435       5.57720222     -10.32946715       0.02634951       0.47684159      -1.19420074 
O       9.23605521       6.68832673      -5.05597487      -0.78806471       0.11361248      -0.56518723 
O       9.02304969       5.72854995     -10.26212953      -0.09324124      -0.22367451      -1.28977311 
O       3.93076684       1.77643609      -2.47348252       0.28670466      -0.13374492       0.72798466 
O       3.92754055       1.04697874      -7.84619368      -1.23449784      -0.24482376       0.79234879 
O       9.04251674       1.80573188      -2.64783234      -0.51900522       0.47552665       1.30413045 
O       9.07756009       0.96684992      -7.72198982       0.14954156      -0.18029784      -0.68797310 
O       3.86818744       6.98045590      -2.55486961       0.01577877       0.32799850       0.77352640 
O       3.87265621       6.14157523      -7.84848217       0.75090174      -0.25334650       0.10287681 
O       9.05932346       7.09027970      -2.43284494      -1.29374796      -0.19170153       0.97418137 
O       9.08320192       6.16129883      -7.72998066      -0.06854236      -0.00655108       0.24484483 
O       1.22904420       2.87280090      -0.02633148       0.28450829      -0.50960069       0.10794701 
O       1.32326610       1.76634496      -5.37141769      -1.40880061       0.15007046      -0.14179233 
O       6.34313483       2.81628810      -0.08685506       0.61988044      -0.05242985      -0.70950309 
O       6.55798213       1.88036395      -5.41225688      -0.59108607       1.00440506       0.25230143 
O       1.12112686       7.83779735      -0.15503610       0.94635179       0.48872256       0.16874488 
O       1.43152695       7.00258382      -5.44499907       0.06470982      -0.39386842       0.28014383 
O       6.35454805       7.94812856      -0.05699424       0.32593739      -0.11404160      -0.53316461 
O       6.53119927       7.04491239      -5.38143105      -0.47373831       0.59046003       0.29442138 
O       3.44371823       4.66499842      -0.74601270      -0.32123802       0.73579971       0.13263470 
O       3.70874005       3.77495318      -6.08711657      -0.21700916      -0.61545908       0.23409003 
O       8.64075198       4.64713404      -0.73771062       0.60857738       0.39697810      -1.23830410 
O       8.72524701       3.85009040      -6.06086783       0.43765681      -1.05983427       0.52750607 
O       3.48472332       9.79577315      -0.75523200       0.63659618      -0.35232800      -0.63660158 
O       3.45376429       8.76286708      -6.12824032      -0.38178887       0.78818377       0.71572518 
O       8.76265207       9.93265363      -0.72589536      -0.30570617      -0.03095045      -0.20780469 
O       8.67020660       8.85870144      -6.20613996      -1.07453261       0.78083153       1.53919561 
O       1.08738936      -0.12166435      -1.92689714      -0.52509316       0.36026280       0.58144561 
O       0.96837362      -0.89009916      -7.16510232       0.48272096       0.08528801       0.81101451 
O       6.11362485       0.02514524      -1.73778612      -0.22344488      -0.06881081      -0.44139205 
O       6.03738970      -0.78380972      -7.12119139      -0.42591767      -0.95113783       0.50719284 
O       0.92883304       5.00960642      -1.84012682      -0.05642375       0.94173237       0.07286102 
O       1.01112564       4.15568631      -7.12927873      -0.25504520      -0.37721477       0.28628320 
O       6.06290462       5.17125158      -1.76181388       0.19245733       0.62066361      -0.26978865 
O       6.13980465       4.35005886      -7.12914485      -0.64052412      -1.08833427      -0.23414966 
O       1.79264300      -0.49648623      -4.38925010      -0.46427543       0.21975275      -0.82425826 
O       1.66876440      -1.35721133      -9.74476371       0.13878617       0.28447419      -0.37679226 
O       6.83127847      -0.45640772      -4.47711217       0.37556555       0.09322218      -0.05970165 
O       6.92891192      -1.24047703      -9.65360550      -0.23113566       0.26193197      -0.42117994 
O       1.44099063       5.60556094      -4.78101621       0.88343088       0.41592527      -0.93484319 
O       1.66201798       3.85266976      -9.66452454       0.73308259      -0.47908978      -0.61899099 
O       6.82954028       4.73712840      -4.49325902       0.76869857      -0.94874475       0.25704373 
O       6.92208290       3.78017136      -9.68233510      -0.55379252       0.79837440      -0.06266731 
O       4.19896415       4.23254948      -3.28341658       0.67202559       1.32180378      -0.72983009 
O       4.36593266       3.26082873      -8.72731309      -0.23661266       0.42662077       0.07504728 
O       9.45545003       4.21183473      -3.41439311      -0.09160589      -0.21148405       0.33315008 
O       9.51227289       3.34673848      -8.63618293      -0.34620322      -0.67062409      -0.03049040 
O       4.35944890       9.31648836      -3.43244866       0.39273020       0.36537089       0.46740892 
O       4.34152959       8.43889343      -8.67602855      -0.59323345       0.20731262      -0.59142768 
O       9.43493158       9.37268868      -3.35172761       0.39449706       0.30568105      -0.53329983 
O       9.56057758       8.45933116      -8.63696008      -0.75198313       0.29312976      -1.52561168 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013567531705178658 -0.0025835727136831782 0.004044961638975877 -0.0025835727136831782 -0.014044014709667145 -0.00048105426704775947 0.004044961638975877 -0.00048105426704775947 -0.01611415288104047" pbc="T T T" energy=-946.49413553 free_energy=-946.52962923 config_type=crystal 
Hf       2.84081565       2.05334433      -9.39214262       0.16822230       0.29293757      -1.00588206 
Hf       7.99351858       2.96628546      -4.11739278      -0.34696302       0.36428530      -0.76790078 
Hf       8.03368040       2.12515754      -9.47187167       0.24211054      -0.59439983       1.54964760 
Hf       2.78865959       8.15046211      -4.08961307       0.68920868       1.03280830      -1.06962562 
Hf       2.84779689       7.32054328      -9.41532486       0.13168688      -0.63604341       0.03577320 
Hf       7.93039214       8.23194387      -4.15594810       0.99921239       0.37165179      -0.85556311 
Hf       7.99963203       7.25537556      -9.31940969       0.51426422       0.28773059      -1.10934162 
Hf       0.30598504       0.95718558      -3.68309436      -0.18051069      -0.73108996      -0.46771411 
Hf       0.28435432      -0.10109661      -8.94909952      -0.11600352      -0.14535569       0.05572774 
Hf       5.26914739       0.83196513      -3.81245590      -0.29392461       0.37183916       0.09148396 
Hf       5.46574632      -0.06062371      -8.99467531      -0.43964450      -0.34906552       0.43006789 
Hf      10.34494718       5.91344682      -3.46503628      -0.53179569       1.00438841      -0.51497389 
Hf       0.30512972       5.01870041      -9.03016887      -0.45013527      -0.00908728       0.22511074 
Hf       5.40870058       5.91952295      -3.65295790      -0.59456284      -0.78417030      -1.90515920 
Hf       5.46030793       5.04733117      -8.95263234      -1.11708823      -0.07798139       0.09858870 
Hf       2.47442590       1.19850332      -1.11969617      -0.91345219       0.38656150      -0.15299713 
Hf       2.40119229       0.37294970      -6.40689393      -0.50756597      -0.13429037       2.22838788 
Hf       7.52468426       1.26159108      -1.04388279       0.44911940      -1.32603792      -0.75294585 
Hf       7.47424769       0.43794346      -6.31915618       1.04356520      -0.15294233      -0.89767974 
Hf       2.42169806       6.27344372      -1.10533200       0.47728980       1.21254122       1.24539799 
Hf       2.53848518       5.42711391      -6.53276580       0.68882285      -0.30707448      -1.50677215 
Hf       7.49100205       6.34753432      -1.01971559       0.95302999       0.65406587      -0.22332278 
Hf       7.57020706       5.46102092      -6.32521565      -0.36111437      -0.29600244       0.57177092 
Hf       4.93715076       3.38495863      -1.67265499       0.15743856      -0.05510370      -0.24579801 
Hf       4.84174105       2.54267848      -6.78113635       1.26122896       0.87855596       0.04978062 
Hf      10.20695980       3.42840741      -1.40102764       0.11343481      -0.93789700      -0.69367646 
Hf      10.19004669       2.56336317      -6.81615843      -0.26541650       0.16456729       0.54354004 
Hf       5.04502540       8.56321405      -1.52414868      -1.26705008       0.63646239       0.31604345 
Hf       5.02410745       7.70988833      -6.76988455      -0.35428227       0.35885273       0.62577662 
Hf      10.18358424       8.60750261      -1.58327044      -0.27754022       0.93745424       1.60610799 
Hf      10.11044238       7.71460284      -6.86114293      -0.14468159       0.13079724       0.78674839 
O       1.18356411       2.42477152      -2.51000167       0.61162465      -1.00810697      -0.55482653 
O       1.30588251       1.50404911      -7.97500246       0.09615989      -0.92168015      -0.21944705 
O       6.54406225       2.32122243      -2.73501020      -0.56188167      -0.10049508      -0.49832382 
O       6.54174262       1.48210844      -8.10282430      -0.53709558       0.03963585       1.06383358 
O       1.24453821       7.49141924      -2.76795011       0.51818736      -0.08190735       0.09807023 
O       1.31603788       6.58692281      -8.05759471       0.14220097       0.48642430       0.17207592 
O       6.58252089       7.51742377      -2.67526575      -0.69737227       0.31142461      -0.02476445 
O       6.55415247       6.63190630      -7.90787590       0.20733824      -0.00661831      -0.46278951 
O       4.00178471       1.28010758      -5.35488127       0.13469934      -0.43189469       0.14111135 
O       4.03795645       0.48361402     -10.44082124      -0.80151107       0.24746855       0.03195724 
O       9.04228753       1.37686963      -5.09042655       0.29224974       0.79824606       0.69278824 
O       9.25417775       0.53855755     -10.37928308      -0.77830588       0.00034852       0.51414375 
O       4.01463595       6.52455769      -5.23072508      -0.45513866       0.30917320       0.73714614 
O       3.91139694       5.74384441     -10.44690979       0.77769413      -1.36049589       0.34198465 
O       9.20520060       6.72896294      -5.09372605      -0.08941478      -0.33105189       0.33112556 
O       9.08005667       5.66783541     -10.32454479       0.22020366       0.01266416      -0.03788247 
O       3.99473739       1.67376840      -2.46366311      -0.71515752       0.59004547       0.56670710 
O       3.76352278       0.98015210      -7.87221570       0.81887748      -0.02987567       0.20500792 
O       8.95000218       2.02072284      -2.44236561       0.49289018      -0.80950922      -0.02085542 
O       8.99254971       1.00276520      -7.71696812       0.84740584       0.03950806      -0.50554532 
O       3.78622880       7.12022371      -2.53551126       0.34436496      -1.18703630       0.03871314 
O       3.87484700       6.24448339      -7.89091546       0.57020591      -0.77330499       0.42121522 
O       9.02462808       7.10503082      -2.45041599      -0.83241638      -0.94256262      -0.08896600 
O       9.07729493       6.08110560      -7.66271433      -0.09092917       0.50243301      -0.96833619 
O       1.33535230       0.98175282     -10.49742201       0.16408406       0.47666311      -0.33743494 
O       1.20121587       1.82408231      -5.45388750      -0.78545435      -0.19788758       0.11007363 
O       6.51531833       2.77586458      -0.12017458      -0.21236219       0.65040996      -0.40157764 
O       6.44588020       2.08371920      -5.44141764      -0.03364428      -0.55034304       0.68462586 
O       1.29596123       7.97280968      -0.07994914      -0.26378084      -0.90318132      -0.93806187 
O       1.42680705       6.93326339      -5.42360949      -0.22192357       1.25316572      -0.21160404 
O       6.46438282       8.04637188      -0.03925969       0.04076823      -0.99972277       0.18657595 
O       6.47332980       7.06497318      -5.30742545       0.36465502       0.33754523      -0.02708938 
O       3.59116763       4.61225254      -0.78049368      -1.14912193       0.72357974      -0.16513281 
O       3.55623723       3.85297968      -6.10227521       0.05243183      -0.57577194      -0.07155573 
O       8.54592589       4.62865942      -0.83014086       0.62104665       0.16896541      -0.64002036 
O       8.65292660       3.75918255      -6.11369491       0.39227021      -0.17624734       0.53501065 
O       3.52068444       9.75269410      -0.73245896      -0.07083488       0.82895904      -0.96923346 
O       3.50095784       8.89111207      -6.01227533      -0.29115967      -0.11159002       0.20241426 
O       8.67681846       9.83074580      -0.72078924      -0.05304970      -0.18159314      -0.20188042 
O       8.63296674       8.97992463      -6.10708679       0.16944090      -0.40854677       0.27695882 
O       0.82140986       0.02130754      -1.74513653       1.23590895       0.70794487      -0.61853473 
O       1.05264276      -1.08134263      -7.09891114      -0.10920615       1.19493728      -0.25219256 
O       5.97444176       0.00809596      -1.67078116       1.43804046       1.03997996      -0.65923824 
O       6.02101989      -0.81557656      -6.97745896       0.27484179       0.51448861      -0.71067666 
O       0.79118803       5.21294273      -1.67016131       0.23129309       0.14023307      -0.22546519 
O       0.97206228       4.29401367      -7.17573027      -0.41939673      -0.86925305       0.56955584 
O       5.99890893       5.24642031      -1.83024115       0.20191155      -0.58066539       0.83391521 
O       6.05102270       4.31845179      -7.10976843       0.35621318       0.02687352       0.30178586 
O       1.73726096      -0.37498367      -4.38695425      -0.23607254      -0.48467959       0.06294532 
O       1.75478752      -1.32106297      -9.76291659      -0.58061592       0.62456304       0.76254761 
O       6.72176684      -0.43792432      -4.56507284       0.51726218       0.07701106       1.25766542 
O       6.90876586      -1.28325011      -9.61340695       0.67549435      -0.50532732      -0.12942142 
O       1.47259677       5.57313963      -4.84437454      -0.83672056      -0.22582997       1.96146731 
O       1.83593302       3.78649222      -9.62156066      -0.41482795       0.83097128      -1.07612357 
O       6.97451285       4.81562060      -4.40185174       0.21490924      -0.65253236       0.22703796 
O       6.86130892       3.76662881      -9.70885664      -0.21949993       0.91200537       0.04007217 
O       4.32971188       4.16986601      -3.46717798       0.66958247       0.90089597       0.61876443 
O       4.30996647       3.35280903      -8.70365958      -0.08462735      -0.19021706       0.17907694 
O       9.53203970       4.17444539      -3.43466459       0.02598256      -0.36669977       0.12046288 
O       9.60660960       3.26195710      -8.74382190      -0.44942842       0.07838586      -0.46184287 
O       4.22291866       9.41706095      -3.39729648       0.29748147      -0.67858326       0.08657261 
O       4.41835419       8.51235999      -8.59117091      -1.13923168      -0.20968027      -1.02513246 
O       9.49062699       9.41268623      -3.39385134      -0.41378168       0.21620445      -0.39770919 
O       9.49488608       8.52720779      -8.67431538      -0.26117542      -0.74714629       0.24723997 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014195978011864396 -0.0008183684201716197 0.00395874589458995 -0.0008183684201716197 -0.01205330165806399 -0.002360674685236301 0.00395874589458995 -0.002360674685236301 -0.012428716036348743" pbc="T T T" energy=-946.64320961 free_energy=-946.67778638 config_type=crystal 
Hf       2.84712993       2.16625800      -9.39423024      -1.47942098       0.33040757       0.40222921 
Hf       8.02669282       2.93508600      -4.16367233       0.43325934       0.20644932      -0.22395252 
Hf       8.07866113       2.19228220      -9.43693139      -0.48551444      -0.33851818       0.18528228 
Hf       2.84613860       8.20369554      -4.06662141       0.10373546      -1.51958765      -1.97965830 
Hf       2.77619664       7.21687320      -9.42824373       0.34879671       0.82342550       0.12651453 
Hf       7.91980391       8.14361545      -4.20701990      -0.28506574       0.87718735       0.27990313 
Hf       7.93542406       7.19762520      -9.39585363       0.65039420       0.98502391      -0.99151581 
Hf       0.28618125       0.80047952      -3.75924692      -0.26236587      -0.22365914       0.39573826 
Hf       0.22301501      -0.02715540      -8.92045644       0.65158075      -1.25584308       0.00661229 
Hf       5.33127761       0.89152668      -3.71852638       0.31086338      -0.52048955      -0.36257029 
Hf       5.40505754      -0.06310167      -8.99406103       0.41472798      -0.38425051       0.80522489 
Hf      10.34123338       5.98260028      -3.46153979      -0.24223780      -0.95061614       0.35474288 
Hf       0.21373782       5.13077376      -8.94891282      -0.05691113      -1.07786002      -0.26035641 
Hf       5.42615482       5.87211180      -3.71805659      -0.76235171      -0.53499874      -0.36686188 
Hf       5.40405113       4.94765867      -8.92623387       0.10912075       1.05834165      -0.91982858 
Hf       2.48251370       1.28260610      -1.04186353      -1.94011350      -0.41875764      -0.37442555 
Hf       2.44119306       0.39372457      -6.22540654      -0.31051327      -0.51107007      -1.67261596 
Hf       7.50985638       1.29942957      -1.09036836       1.14874645      -0.48409172       0.20577584 
Hf       7.62360112       0.32784998      -6.32661727      -1.11301152      -0.16861369      -0.35452216 
Hf       2.37082738       6.44558405      -1.10782012      -0.77966880      -0.45451220       1.40421758 
Hf       2.61096528       5.30501025      -6.54676161      -0.32768668       0.03288255       0.58491343 
Hf       7.52568901       6.42538034      -1.08436633      -0.70984211      -0.58399890       1.01397282 
Hf       7.67171234       5.44135459      -6.29090079      -1.48675509       0.55630543      -0.75766916 
Hf       4.82083660       3.41463338      -1.61258250       1.78141873       1.95139944      -0.12844872 
Hf       4.98996650       2.54902205      -6.71612145      -0.47839462      -0.51607237       0.01357465 
Hf      10.21534103       3.33639287      -1.49752119       0.04457499       0.23959152      -0.22833612 
Hf      10.20909771       2.53276322      -6.81048612       1.15161569       0.52479780       0.81120711 
Hf       4.94591019       8.58100613      -1.58698040       0.52909882       0.61535554       1.50872055 
Hf       5.02038128       7.67392061      -6.82794628      -0.41422187       0.54396654       0.16940183 
Hf      10.15757847       8.65443455      -1.59727307      -0.75303280       0.93393472       1.13304660 
Hf      10.11752222       7.73373012      -6.86842761       0.96065788       0.16755663      -0.12342819 
O       1.22062837       2.24488272      -2.63872760       0.35315028       0.70599282       1.05564580 
O       1.29649800       1.53647129      -7.97930235       1.15606106      -0.31841658      -0.18392835 
O       6.61912558       2.48187576      -2.80098558      -1.31684642      -0.89402142       1.14816242 
O       6.57498875       1.41451626      -7.98840236       0.38566046       0.44238060       0.31762402 
O       1.26326661       7.48033757      -2.70460197       0.10656623       0.18022223      -0.34047603 
O       1.36156140       6.60148251      -7.98963188       0.24513652       0.34987692      -0.14205982 
O       6.40638149       7.55966572      -2.80670798       0.25757362      -0.05415372       0.33488196 
O       6.62741517       6.61651342      -7.95962415      -0.63411033      -0.61659204      -0.00122254 
O       4.05842845       1.11856437      -5.31098599       1.16279302       0.61976281       1.04410303 
O       3.93468346       0.60775362     -10.39094713      -0.50943905      -0.06666691       0.04302886 
O       9.06648352       1.33677044      -5.18308603       0.19755081       0.82976286       1.06112507 
O       9.19270877       0.53783867     -10.38694662      -0.80564394       0.26878200       0.04006996 
O       3.98401991       6.48516800      -5.18030285      -0.36275877       0.17903587      -0.01961426 
O       3.85261967       5.60390763     -10.35876651       0.23213693       0.57218472      -1.09966784 
O       9.17032932       6.64113786      -5.09184634      -0.34736526      -0.68915909      -0.27734286 
O       9.08692258       5.71635887     -10.35313337      -0.24980971      -0.61251123      -0.24472740 
O       3.97058484       1.74554676      -2.39224485       0.04841898      -0.19006160      -0.03712950 
O       3.85069549       1.04000527      -7.80531269      -0.05897832      -0.47934989      -0.21614364 
O       9.06234122       1.75607554      -2.49756561      -0.39594287       0.60484715      -0.30038014 
O       9.16576019       0.98750999      -7.67818558      -1.13698003      -0.74689509      -0.99396233 
O       3.78534105       7.09610402      -2.51691336       0.15164353      -0.72323213       0.23384290 
O       3.94579671       6.13194866      -7.92497190      -0.64467218      -0.02326536       1.17539054 
O       8.85309574       7.05931978      -2.50338819       1.03284248       0.11887294      -0.43672448 
O       9.10905453       6.10702010      -7.73231662      -0.37902805       0.11304139       0.03077016 
O       1.22160236       1.02691931     -10.47310843       0.91248800       0.37929384      -1.03416219 
O       1.15753539       1.71468306      -5.40348081      -0.40732318       0.69815341       0.12444847 
O       6.44791482       2.85528244      -0.11009307      -0.27701391      -0.21856184      -0.20380578 
O       6.48911349       1.96555715      -5.31178613      -0.08129986      -0.11613611      -0.50342649 
O       1.11764039       8.00353292      -0.09106034       1.25528979       0.05565413      -0.39064386 
O       1.34903829       7.18629081      -5.42299940       0.11203359      -1.04844673       0.48538357 
O       6.38489820       7.93471039      -0.12216538      -0.01800184       0.09542196       0.20894245 
O       6.45219801       7.13999825      -5.44076492       0.93836900      -0.98754556       0.94514682 
O       3.40951255       4.73368216      -0.85008788       0.04514289      -0.85199245       0.40394453 
O       3.51305921       3.68636449      -6.03861867      -0.19203896      -0.01258055      -0.31770132 
O       8.56082776       4.68240372      -0.81706291       0.81864875      -0.70296549      -0.13775480 
O       8.74722445       3.77285369      -6.12422605      -0.78333969      -0.15719292       0.86072422 
O       3.44555866       9.82864441      -0.77014283       0.65353409      -0.99165022      -0.15089641 
O       3.44519365       8.81182046      -6.06296701       0.76520551      -0.04190114       0.26810398 
O       8.58084040       9.72199502      -0.86082746       0.01094441       0.75164593      -0.09901514 
O       8.61749861       8.81410072      -6.10203464      -0.12181599       0.98313399      -0.26519252 
O       0.93950034       0.00207044      -1.79449716      -0.00436994      -0.45962562      -0.22337157 
O       0.95861714      -0.94008311      -7.01042576      -0.85753912       0.09809058      -0.85924604 
O       6.14546113       0.05853530      -1.75378629      -1.27857048      -0.56349797      -1.03141581 
O       6.16069829      -0.93653139      -7.12881481      -0.36170039       0.53661044       0.08706832 
O       0.70737388       5.26258351      -1.63539051       0.31612336      -0.48183302      -0.48187518 
O       0.88083747       4.32924112      -7.05900861       0.45627428      -0.63731291       0.19852566 
O       6.07216934       5.23777687      -1.78638693      -0.53390718      -0.34592605      -0.04805008 
O       5.92800067       4.38826394      -7.04731683       1.51375494      -0.25648231       1.05623572 
O       1.69974794      -0.55493402      -4.50884031      -0.73798837       0.99377539       1.15103239 
O       1.74094235      -1.28878885      -9.61162574       0.05615395       0.18944196      -0.32195149 
O       6.80274090      -0.46104948      -4.45437588       0.13928689       0.70027955      -0.25390819 
O       6.86967155      -1.29322281      -9.69343044       0.35357496      -0.22254741      -0.25112778 
O       1.36290372       5.70362646      -4.91822956       0.13809338       1.06168577       0.14937564 
O       1.81252826       4.01145763      -9.54297082       0.41858446      -0.86637115      -0.69632051 
O       6.93204636       4.73830919      -4.46440058       0.69403424      -0.07972968      -0.01567349 
O       6.95564261       3.86251604      -9.58916467       0.26985575      -0.06716960      -0.30690659 
O       4.35431724       4.20316709      -3.38155631       0.13622818       0.60274069      -0.13327489 
O       4.32153056       3.27901403      -8.62756499       0.36358766       0.36916239      -0.44606821 
O       9.54766628       4.12301575      -3.39657750       0.21573438       0.47735677      -0.22543469 
O       9.62285098       3.29864968      -8.68181521      -0.77821549      -0.08569350      -0.74504568 
O       4.22824244       9.39673401      -3.31974567       0.68399343       1.05463172      -0.61403196 
O       4.36151023       8.41959653      -8.69919935      -0.43042500       0.47698592      -0.41806663 
O       9.51339951       9.32005534      -3.50430563       0.01407125      -0.10361552       0.08519491 
O       9.48909765       8.43273655      -8.83677707       0.36469406       0.24310494       1.34747051 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016415999739696114 -0.0024794640418710073 0.004771962941378105 -0.0024794640418710073 -0.01997258491640075 -8.705688136327598e-05 0.004771962941378105 -8.705688136327598e-05 -0.01722213060144536" pbc="T T T" energy=-946.55187591 free_energy=-946.58700899 config_type=crystal 
Hf       2.75919198       2.10054237      -9.38989003       0.45880239      -0.14113888      -0.13600120 
Hf       8.02144666       2.95679911      -4.14133380      -0.44763263      -0.37846292      -0.18822655 
Hf       7.98782044       2.10219311      -9.38677430       0.50836719       0.32997734      -0.75049672 
Hf       2.88090743       8.11476141      -4.13300925      -0.78691239       0.48577993      -0.71936658 
Hf       2.79494125       7.36251639      -9.49328719       0.37734415      -1.01233666       0.64766044 
Hf       7.97322239       8.23050461      -4.17573803       0.62650431       0.90903201       0.22196345 
Hf       8.04377145       7.23127426      -9.45600424      -0.96634095      -0.04469058       0.61405651 
Hf       0.29844366       0.84032299      -3.70564238      -0.14796670       0.45036854      -0.51963254 
Hf       0.20694496      -0.16786407      -8.89143577       0.17461593       0.79241280      -0.65572156 
Hf       5.29458418       0.80787441      -3.69676634       0.33075652       0.60611204       0.32271078 
Hf       5.44089439      -0.19531511      -9.06004713      -1.02634535       2.12943753       0.61662550 
Hf      10.33303045       5.91925015      -3.40951895       0.36698242       0.95688013      -0.13005147 
Hf       0.18230167       5.04329959      -8.93498243       0.35480280      -0.38987732      -0.40825581 
Hf       5.47836668       5.94519220      -3.74818718      -0.28184247      -0.96908134       0.23527337 
Hf       5.33884673       5.01319659      -8.99872896       0.64562155       0.92551528       0.68957106 
Hf       2.39686193       1.35019531      -1.10438674      -0.39840537      -0.30549288       0.27717282 
Hf       2.44079490       0.37109118      -6.32476906      -0.41283899      -0.04125188       0.59652110 
Hf       7.47454943       1.20702233      -1.09691085       0.96350094       0.58804991      -0.68191633 
Hf       7.52660740       0.37138211      -6.38299638       1.20725909       0.87102504       0.84044161 
Hf       2.34157486       6.43986528      -1.05082000      -0.07310056      -1.03943040      -0.52414340 
Hf       2.59553019       5.35669813      -6.54384791       0.03462924       0.57631186       0.74038497 
Hf       7.54717146       6.45984203      -1.00882753      -0.25519938      -0.83656620      -0.51327396 
Hf       7.55823359       5.39578854      -6.36999434       1.78321300       0.73565846       0.50460118 
Hf       4.95886357       3.51189824      -1.67727062      -0.47119142       0.11566029       0.26232208 
Hf       4.93264584       2.52502284      -6.71269784       1.29642804      -0.78711542      -0.33192645 
Hf      10.17373684       3.42290521      -1.49685566      -0.25331852      -1.48209177       1.03352875 
Hf      10.30638350       2.55587076      -6.71712436      -1.04020590      -0.66041353      -1.03871927 
Hf       4.93786187       8.50530014      -1.56422521       0.31809544       1.31955422       0.61796988 
Hf       5.08587204       7.77969283      -6.81519174      -1.28440601      -0.86867955       0.06589387 
Hf      10.20776973       8.70277273      -1.50785292      -0.40494592       0.27162351      -0.66676364 
Hf      10.12611188       7.64067209      -6.79322168       0.39796461       0.59011766      -0.07376442 
O       1.15324825       2.37111175      -2.64145135       0.70492169      -0.12648927       0.41273382 
O       1.30632036       1.46649449      -8.03264059       0.30867145      -0.21067020       0.51314068 
O       6.52222559       2.32603459      -2.76522552       0.02539302       0.34574661       0.10449724 
O       6.60872241       1.44975512      -8.01465761      -0.68541883      -0.09126552       0.31807470 
O       1.29657104       7.63236317      -2.72550339      -0.55442018      -1.10658310       0.22756986 
O       1.37961984       6.56102051      -7.97333927      -0.12645812       0.34649307      -0.58242350 
O       6.59480180       7.58231997      -2.69089503      -1.09886561      -0.33470157      -0.36929469 
O       6.60101655       6.56579584      -7.98034726      -0.21812665       0.33628552      -0.09199788 
O       4.12260525       1.25555307      -5.23651101      -0.88978820      -0.20261092      -0.49398349 
O       3.85308255       0.55373132     -10.21419425       0.18010924      -0.34461917      -0.99916943 
O       9.08696538       1.52609055      -5.16107144       0.71807342      -1.05203578       0.59565764 
O       9.17793938       0.58380111     -10.37565009      -0.64436342      -0.19114344       0.33408939 
O       4.02543209       6.50661050      -5.16041988      -0.08727795       0.66138426      -0.36685177 
O       3.90319702       5.63461505     -10.42996773       0.02188211       0.18396752      -0.28780891 
O       9.20402712       6.65564816      -5.08226424       0.05181238      -0.16015050      -0.09772416 
O       9.09584649       5.74070995     -10.45437140       0.86869014      -0.47118931       0.81878299 
O       3.97082964       1.76164203      -2.26889049       0.39078646       0.20095033      -0.95146849 
O       3.82493701       1.00867609      -7.75275653       0.38385997       0.27906281      -0.19638761 
O       9.00703908       1.79550571      -2.50139770      -0.32926390       0.75750469       0.02772538 
O       9.18773608       0.94226360      -7.73028307      -1.18993568       0.01573139       0.20159384 
O       3.70182926       6.98438882      -2.55642811       1.62956521      -0.10834323       0.33373072 
O       3.95149465       6.18236970      -7.82847562      -0.15101533       0.04585722       0.06788744 
O       8.99272707       7.07251661      -2.42148184       0.62126552       0.32537144      -0.76514626 
O       9.09603663       6.05198744      -7.85158405      -0.53154792       0.40369288       1.35147217 
O       1.29160500       2.77647007      -0.02351091      -0.59200623       0.53832980      -0.50242331 
O       1.24111959       1.81582045      -5.44785460       0.04329678      -0.22466467       0.63304841 
O       6.36808432       2.83796850      -0.12151550       0.48512698      -0.53566796      -0.45118851 
O       6.53421734       2.08647108      -5.38142990      -0.19305177      -0.76331465      -0.22026630 
O       1.27234607       8.04268110      -0.16848294      -0.08126163      -0.52390068       0.96215061 
O       1.38861492       6.97625189      -5.33655859       0.16030894       1.86197879      -1.36696436 
O       6.43727163       7.96637653      -0.08727498      -0.59100255       0.61686955      -0.05780970 
O       6.51025503       7.26865198      -5.41422490       0.31973631      -1.36766460       0.59721553 
O       3.46151649       4.64325650      -0.87092818      -0.12370285       0.30501618       0.46589200 
O       3.61774881       3.76543140      -6.14479628      -1.12073382       0.67246392       0.33857162 
O       8.57758325       4.71373435      -0.74809034       0.83645248      -0.40822363      -0.45143656 
O       8.83908713       3.75337515      -6.08173659      -1.38282814       1.63372259       0.78398131 
O       3.52316565       9.85637347      -0.80538993      -0.00480447      -0.78774138      -0.13212282 
O       3.57439437       8.94856012      -6.02467589       0.09706022      -0.97180768       0.08877790 
O       8.70126194       9.86079359      -0.74090668      -0.12979179       0.14350309      -0.41987606 
O       8.68103464       8.92421845      -6.01622313       0.01319706       0.34931893      -0.67209897 
O       0.88578678       0.08850994      -1.74673945       0.57305070       0.03276304      -0.26790655 
O       0.94466380      -0.97001807      -7.04991646      -0.20524729      -0.22178612      -0.02590419 
O       6.07324536      -0.01775754      -1.81881294      -0.05739694      -0.45056438       0.26501052 
O       6.08428827      -0.81038025      -7.14948795       0.21661586      -0.13603081       0.09410825 
O       0.96454792       5.04942400      -1.78462472      -0.34810377       1.40017387      -0.55930989 
O       0.95871605       4.29867760      -7.05462356      -0.23850410      -0.58356100      -0.47927056 
O       6.08804363       5.24903405      -1.76740659      -0.54820059       0.03274817      -0.83643178 
O       6.16662294       4.26719047      -6.97309418      -1.45426391      -0.84415866      -1.17446057 
O       1.70773652      -0.43689795      -4.45835214       0.60309792      -0.70098107       0.34186339 
O       1.72366630      -1.31167354      -9.68632302      -0.42996778       0.36267977       0.05666052 
O       6.77609302      -0.35247661      -4.48007606       1.05387444      -0.50225210      -0.46617699 
O       6.92874193      -1.29997778      -9.71287826       0.39674376      -0.55979579       0.00826167 
O       1.51738195       5.68503212      -4.73718456       0.03568570      -1.59475996       0.85572758 
O       1.64586522       3.83850458      -9.70841425       0.03074860       0.31167147      -0.17313085 
O       7.11210643       4.86540894      -4.36105119      -0.70279013       0.24196621      -0.63933268 
O       6.76118554       3.86707562      -9.74028542       0.98310095      -1.17812488       0.66689877 
O       4.46101289       4.19614104      -3.55790545       0.81898568       0.71085135       0.73634269 
O       4.21648738       3.38893563      -8.68951624       0.11542854      -0.37490266       0.40156890 
O       9.42870104       4.20636086      -3.28607848       0.16760517      -0.07613959      -0.39363132 
O       9.38268108       3.36695152      -8.71106932       0.84012025       0.33716341       0.47415871 
O       4.31975434       9.27057469      -3.38492542       0.05020506       0.44841161      -0.17176547 
O       4.35118197       8.42788548      -8.75020311       0.23301266       0.13897504       0.37240865 
O       9.53225883       9.47614069      -3.37322672      -1.10321452      -1.28653491      -0.36904401 
O       9.52465791       8.34446706      -8.68347452       0.31749421       0.81181103       0.57089549 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014231451660188901 0.0036416193784469934 0.003979577823833391 0.0036416193784469934 -0.01676042632340476 -0.0031863514881717092 0.003979577823833391 -0.0031863514881717092 -0.02017390061768651" pbc="T T T" energy=-946.78020455 free_energy=-946.8121115 config_type=crystal 
Hf       2.80166907       2.06474426      -9.43638904       0.44542041       1.37081146       0.61409096 
Hf       8.06307496       2.98362911      -4.21184250      -0.70031153       0.53003014       1.34031714 
Hf       8.03496838       2.09960569      -9.41638689      -0.18618301       0.71115041       0.15931203 
Hf       2.92360812       8.19833938      -4.04389436      -1.52653211      -0.89463347      -1.56945397 
Hf       2.75990008       7.32777538      -9.53084757       0.29643848      -0.14266817       2.30651626 
Hf       8.00667374       8.15525175      -4.21421563      -0.47053778       1.17580729      -0.11805325 
Hf       7.96079404       7.25486980      -9.42846876       0.30881960       0.58797565      -0.15625295 
Hf       0.26324166       0.78368730      -3.74353048      -0.29633933      -0.69455293      -0.46279049 
Hf       0.18268476      -0.11984926      -8.94068152       0.71812507      -0.14546745       0.18482036 
Hf       5.35849135       0.83517304      -3.71024195       0.35285197       0.02850153      -0.17489630 
Hf       5.34477159      -0.06825957      -9.00366633       0.82511913      -0.66007130       0.26912054 
Hf      10.35209892       5.98676234      -3.43971233       0.45049168       0.05113283      -0.02215922 
Hf       0.20894416       5.04291108      -8.96563962       0.39503570      -0.41053672       0.87406535 
Hf       5.41632540       5.92727589      -3.72819207      -0.24200118      -0.63211888       0.08655847 
Hf       5.40980414       5.02809586      -8.98226509       0.42372713       0.07533465       1.08673121 
Hf       2.39210619       1.24557917      -1.16603746      -1.38417028       0.02145064      -0.06409501 
Hf       2.44679426       0.39800435      -6.33187628       0.37398900      -1.20829308       0.57812460 
Hf       7.53439046       1.30332221      -1.06233274       0.05481328      -0.25549544      -1.12114148 
Hf       7.47301915       0.43201536      -6.38988980       1.45500627      -1.97099036       0.18870029 
Hf       2.41589591       6.44074858      -1.04337929      -0.33812447      -1.41264167      -0.88700463 
Hf       2.58877483       5.39044414      -6.48932824      -0.94389695      -0.72955223       0.09469035 
Hf       7.47581507       6.35415697      -1.04588116       0.35822658      -0.23202356      -0.87546948 
Hf       7.64387903       5.42586758      -6.24646714      -0.65974194       0.74225372      -1.10202424 
Hf       4.83040794       3.41017357      -1.62509763       1.82776858       0.23039893      -0.56094107 
Hf       5.03096359       2.55949372      -6.71427629      -1.00734785       0.37217914      -0.88054261 
Hf      10.27738377       3.37844781      -1.46553819      -2.05048010       0.49065865      -1.77583838 
Hf      10.26080803       2.44979054      -6.72273157      -0.50259053       1.53950187      -0.95933937 
Hf       5.00727580       8.58809208      -1.50854092       0.65947828       0.77737320      -0.64149346 
Hf       4.97198921       7.67498282      -6.76582902      -0.26164175       0.86101555      -0.69033051 
Hf      10.16057545       8.64370572      -1.45883357      -0.51986300       0.42880635      -1.71525857 
Hf      10.09290637       7.71250932      -6.86373574       0.73620956       0.45544595       0.41729022 
O       1.08876462       2.23027697      -2.63583795       0.80267968       0.67235690       0.70967258 
O       1.32036544       1.46176404      -7.98882071       0.45080504      -0.27097330      -0.36606681 
O       6.45063729       2.42692024      -2.87051342      -0.33017037      -0.45445147       0.28358839 
O       6.49363274       1.50651278      -8.05379896       0.46800433      -0.20602685       0.23746983 
O       1.27025637       7.48685555      -2.68674646       0.67240291       0.30214531       0.69226861 
O       1.29378312       6.68100219      -8.03735105       0.06897390      -0.67465089      -0.26767067 
O       6.51404645       7.54701253      -2.81766555      -0.56164470      -0.35067770       0.60256706 
O       6.53965437       6.62414844      -8.11402485      -0.69099351       0.09053770       0.97904593 
O       4.10362644       1.25925806      -5.25397474       0.00048352       0.02073896      -0.43169024 
O       3.95766150       0.62326371     -10.39281592      -1.00131323      -0.56913202      -0.23028017 
O       9.09246569       1.43896410      -5.14424048       0.31143476      -0.08479258      -0.18257738 
O       9.14339819       0.51308636     -10.40759339       0.18409214       0.38857166       0.40013199 
O       3.88249488       6.51958821      -5.15422023       0.69769239       0.86755065      -0.14322505 
O       4.03088918       5.65971916     -10.38078729      -1.24599189       0.73292438      -0.96248825 
O       9.22259531       6.56836709      -5.12217234      -1.03420399       0.58289463       0.06527405 
O       9.09066329       5.71524101     -10.41050164       0.39026299      -0.31116940       0.71442573 
O       3.87433725       1.71016576      -2.35779747       1.13025879       0.24748089      -1.07112586 
O       3.87183994       0.98901215      -7.85129454      -0.41506216       0.35172726       0.47715461 
O       8.90164252       1.99595189      -2.57673771       0.52367100      -0.93850191       0.99488134 
O       9.12092835       0.93462318      -7.71512212      -0.74738135       0.26582190      -0.33422060 
O       3.90524266       6.98839595      -2.51211438      -0.43848597       0.72786235       0.65681061 
O       3.85602664       6.13129344      -7.82570094       0.91966426       0.83295042      -0.60403919 
O       8.92295312       7.10197608      -2.48763237       0.55664191      -0.05539330       0.52948887 
O       9.05272676       6.15575445      -7.70113691      -0.03093026      -0.46147750      -1.10946840 
O       1.29363464       2.86549026      -0.13553315       0.80241315      -0.27431792       1.12828224 
O       1.18817263       1.68898211      -5.42288474       0.04051459       0.55423850       0.24763755 
O       6.40901117       2.82967894      -0.17970134       0.29794236      -0.05908283       0.44488628 
O       6.56775088       2.00577457      -5.47018578      -0.19642430       0.22540542       0.79744239 
O       1.18500234       7.94860263      -0.06967810       0.83702119       0.19572188      -0.45685573 
O       1.26343701       7.10686876      -5.36953494       1.29093622       0.40226602       0.16869212 
O       6.50852100       8.01478318      -0.18457099      -0.41646246      -0.35358758       0.34155150 
O       6.37204541       7.02040520      -5.38503223       0.95006321       0.21968080      -0.23281342 
O       3.62740150       4.74852993      -0.77664059      -1.26575131       0.61132019       0.67588411 
O       3.65257251       3.81971652      -6.08329729      -0.27309718      -0.02992603       0.22466322 
O       8.56566371       4.71052260      -0.69060132       1.59799765      -0.75380127      -0.83113368 
O       8.80168903       3.83403287      -6.04968419       0.57044711      -0.89022431       0.38825790 
O       3.49316284       9.84068793      -0.77968692       0.49365416      -0.99747626      -0.66250637 
O       3.56292058       8.92876719      -5.94465502       0.28273865      -0.52149720      -0.30835774 
O       8.69012916       9.86010650      -0.82621060       0.27109474       0.13247785       0.18769444 
O       8.60881918       8.90286384      -6.15254445       0.10949804      -0.12847243       0.37805471 
O       1.04138519      -0.10228731      -1.98913653      -0.29530480      -0.43259055       1.29912817 
O       1.02886665      -1.00169080      -7.11470297      -0.53143110       0.66247528      -0.11470048 
O       6.16448399       0.01319131      -1.77866868      -0.73573303      -0.06791693      -0.33587307 
O       6.06302598      -0.84501246      -7.07770070      -0.48567728      -0.22563760      -0.28791755 
O       0.94007960       5.07901728      -1.82077298       0.67452380       0.98257945       0.54589767 
O       1.06347495       4.21180370      -7.13707878      -0.68782487      -0.27121712       0.17292076 
O       6.15029127       5.08625937      -1.92054545       0.00578204       0.68477304       0.54031143 
O       6.14925244       4.34068937      -7.01278682      -0.43581184      -0.47824368      -0.59116993 
O       1.73638329      -0.49710158      -4.43016835      -0.06253714       0.20986905      -0.30902598 
O       1.69400419      -1.25717400      -9.74392093      -0.38419310      -0.04789579      -0.38929642 
O       6.91305664      -0.41027302      -4.48625880      -0.70999333       0.71769779      -0.06659668 
O       6.94348836      -1.24687716      -9.65619841      -0.48470241       0.00636627      -0.08810802 
O       1.52233698       5.76081670      -4.75882238      -0.81478119      -0.30310322       0.26849760 
O       1.79950143       3.89926604      -9.71246580      -0.48598509      -0.23756750       0.02242389 
O       6.94319618       4.74624519      -4.42846695       0.13174437      -0.20863152      -0.02545027 
O       6.86081091       3.83769588      -9.67336498       0.10087484      -0.10630235      -0.00661860 
O       4.16608364       4.36823493      -3.27571125       0.01483480       0.01495117      -0.68386078 
O       4.29409987       3.36648358      -8.66484028      -0.23667239      -0.51464400       0.30086685 
O       9.48256589       4.26719442      -3.29986407      -0.45999837      -0.74475011      -0.56212479 
O       9.56709977       3.28745056      -8.66177254      -0.52011088      -0.18009043      -0.22751761 
O       4.36407186       9.34325040      -3.39419114       0.25324495       0.29419236       0.64561881 
O       4.18773110       8.52402902      -8.69419015       0.58474820      -0.15911580       0.36824058 
O       9.44338856       9.37408708      -3.47713852       0.38597618      -0.15893692       0.49889628 
O       9.43050137       8.51868968      -8.73416158       0.43158631      -0.48199746       0.54795177 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008376161014819371 0.0027189878528029016 0.0040835340842342175 0.0027189878528029016 -0.010982860822930816 -0.0023520829108830297 0.0040835340842342175 -0.0023520829108830297 -0.013406228196785832" pbc="T T T" energy=-946.58835055 free_energy=-946.62278574 config_type=crystal 
Hf       2.82809356       2.22023509      -9.40508270       0.09890592      -1.18169609       0.54232917 
Hf       7.93490412       2.98185984      -4.16642317       1.01165803      -0.10109746      -0.01207501 
Hf       7.92258986       2.07164001      -9.46510929       0.88525162       0.51124937       0.43986606 
Hf       2.86195107       8.06524114      -4.14133496       0.18606919       1.23806559      -0.39471900 
Hf       2.83380968       7.25276380      -9.35362521      -0.40891064       0.66379485      -0.44483917 
Hf       7.96383320       8.18258250      -4.10611295      -0.41306673       0.82065126       0.27266218 
Hf       8.07143759       7.28518066      -9.40744239      -0.55495062      -0.26777232       0.45092943 
Hf       0.30224017       0.88147373      -3.71986584       0.75807110      -0.40817976      -0.18020665 
Hf       0.26656146      -0.06164465      -9.00336623       0.58695633       0.50501895       0.54399472 
Hf       5.32403797       0.85948175      -3.75983884       0.21363585      -0.24416016       0.37134567 
Hf       5.47963160      -0.13702964      -9.02331660      -0.69720300       0.30216075       1.46250563 
Hf      10.32229270       5.97621338      -3.51478164       0.68622132      -0.55466050       1.09296188 
Hf       0.13568562       5.00225242      -9.06737790       0.92829621      -0.73663231       1.85259310 
Hf       5.41422874       5.87050047      -3.71642007      -0.54268424      -0.49131123       0.31156918 
Hf       5.41241698       5.07263904      -8.97139499       0.23051304       0.14500118       0.51636908 
Hf       2.40875196       1.28977879      -1.07016828       0.34382026       0.11651427      -0.31631640 
Hf       2.30564179       0.38205791      -6.27717537       1.10759657       0.64768128      -0.30768069 
Hf       7.60263953       1.22294511      -1.08507911      -0.00377607      -0.42790799      -1.01450979 
Hf       7.69346474       0.30664654      -6.34330616      -1.23988498       0.57597633       0.11603441 
Hf       2.35438464       6.43841885      -1.10965835       0.13592770      -1.18049132      -0.34024255 
Hf       2.53458705       5.23355846      -6.53445440      -0.44456017      -0.32784736      -0.25070214 
Hf       7.52698873       6.37585807      -1.03335501       0.25308197      -0.21457251      -0.23876238 
Hf       7.61974767       5.50129730      -6.33187124      -1.38463505      -0.13636748      -0.19178899 
Hf       4.95311649       3.45384780      -1.56432276       0.38830208       0.19725304      -0.01656394 
Hf       4.98171785       2.55382708      -6.70749291      -0.44431014      -0.10834479      -0.40764842 
Hf      10.14950667       3.35840099      -1.53748967       1.90069319       0.48095592      -0.10270082 
Hf      10.02510928       2.51599910      -6.78039973       2.42619055       0.82109636       0.04961514 
Hf       4.97620944       8.63340066      -1.50450660       0.25141689       0.31754885      -0.44695584 
Hf       4.99939071       7.80496491      -6.65520357       0.34947628      -0.12325285      -2.08429136 
Hf      10.21835723       8.68548634      -1.56627965       0.49749390       0.00949110      -0.07361634 
Hf      10.15013424       7.70023332      -6.85563443       0.81822431       0.59854389       0.15459277 
O       1.30818853       2.31262776      -2.58911339      -0.48011382      -0.52127163       0.10046410 
O       1.38121901       1.41148377      -7.96519355      -0.37978901       0.19122458      -0.22000600 
O       6.61096785       2.36864730      -2.75909938      -0.47416451      -0.19334835       0.14281306 
O       6.56194935       1.44359743      -8.00793440       0.19346464       0.36913777      -0.36489666 
O       1.25883681       7.52278734      -2.82607379       0.37604713      -0.27653066       0.64440058 
O       1.26621642       6.44931990      -7.98466594       0.66443418       0.86846927      -1.14829011 
O       6.54208238       7.53059710      -2.60610123       0.15180203      -0.00078612      -1.30279626 
O       6.54076863       6.65460948      -8.06924080       0.50196229      -0.31665244       0.85214335 
O       4.03135892       1.32981433      -5.28698291       0.32320095      -0.73384614       0.62925520 
O       3.97606957       0.56259113     -10.23771955      -0.33870672       0.36641060      -1.15053124 
O       9.08520225       1.40996210      -5.11777071       0.13069929       0.19274891      -0.05481638 
O       9.07563944       0.60432278     -10.43844474       1.50778114      -1.21240285       0.43687274 
O       4.00170346       6.52853793      -5.26321357       0.01201294       0.02504393       1.17620016 
O       3.93730150       5.66830505     -10.41661875      -0.14382421       0.03326012       0.34671775 
O       9.07147460       6.61200155      -5.05698419       0.92206896      -0.28095917      -0.20628891 
O       9.08326841       5.65422109     -10.33132775      -0.19779983       0.20157785      -0.31686996 
O       4.03637868       1.73316259      -2.30449094      -0.14712713      -0.17464157      -0.08900393 
O       3.96177543       1.01344224      -7.75916021      -0.52105964       0.04766812      -0.05143172 
O       9.08946924       1.70483481      -2.52095514      -0.10706759       1.15156548       0.12719826 
O       9.09468600       0.97174825      -7.81693233      -0.34983087      -0.68505854       0.39207666 
O       3.83669706       6.98756817      -2.58604386       0.02036318       0.15988285       0.56052429 
O       3.85201235       6.22934087      -7.78267322       0.32070659      -0.48931343      -0.17461438 
O       9.05500317       7.05714966      -2.39235889      -0.60125473      -0.02915335      -0.14684588 
O       9.12061394       6.14767244      -7.69178908      -1.08934682      -0.25912340      -0.64655898 
O       1.36640837       2.98909590      -0.09358982      -1.21875228      -1.38085820       0.05082551 
O       1.15314081       1.87169346      -5.37197412      -0.63180181      -0.70062295      -0.46822740 
O       6.56330165       2.80910784      -0.18863408      -1.25186357      -0.32501297       0.10857405 
O       6.59747709       1.98130406      -5.43683319      -0.99188693      -0.22476696       0.50926086 
O       1.27990636       7.97909529      -0.15823069      -0.28081949       0.14577348       0.06546546 
O       1.42659706       7.09707516      -5.48757212      -0.03953593       0.08605954       0.13344556 
O       6.44970216       7.94095926      -0.09128757       0.07319062       0.30951679       0.17052640 
O       6.53369284       7.10843934      -5.34409412      -0.52301246      -0.14561116      -0.00792409 
O       3.60114200       4.70812116      -0.73877580      -0.57823687       0.58964385       0.09423337 
O       3.43262659       3.63388716      -5.92451081       0.42024436       0.45370860      -0.81101074 
O       8.73198335       4.63858683      -0.90047095      -1.08554269       1.14090460       0.48955663 
O       8.62900711       3.76848919      -6.05967581      -0.02444403       0.27755391       0.12056742 
O       3.54299843       9.80642740      -0.67607008      -0.12420189       0.13137725      -0.58031670 
O       3.55707448       8.97141851      -5.96788169       0.13143246      -0.34047436      -0.19452327 
O       8.78358758       9.78697440      -0.74478381      -0.47713245       0.73875169       0.06093307 
O       8.73756262       8.90702098      -6.05242547       0.04335981      -0.23265276       0.40768427 
O       1.11651107      -0.07136604      -1.92505198      -0.56525340      -0.04640882       0.22042461 
O       1.02410966      -1.01973667      -7.15355629      -0.15919878       0.46176888       0.11538077 
O       6.09140489       0.06869447      -1.78580834      -0.09239862      -0.56627107       0.07059732 
O       6.19477077      -0.79804439      -7.06114652      -0.98474939      -1.21794537      -0.16360077 
O       1.00473883       5.07002879      -1.77930775      -0.59237296       1.01452783      -1.04593450 
O       0.83952659       4.19803576      -7.12575137       0.35334895      -0.35075613       0.23780447 
O       6.11805745       5.22057412      -1.84862809      -0.37321438      -0.74845848       0.06362369 
O       5.97738055       4.38203781      -6.98642499       0.81930004       0.37226602      -0.34384346 
O       1.69495999      -0.51879386      -4.52350848      -0.61877535       0.17691056       0.58380934 
O       1.74507051      -1.22993140      -9.69046371      -0.10044457      -0.65380972      -0.35674503 
O       6.87130937      -0.41302222      -4.39863993       0.08538449       0.26005223      -0.52433864 
O       6.99546758      -1.32296866      -9.70478199      -0.33380508       0.34125241      -0.08128900 
O       1.52680637       5.75844271      -4.80530102      -0.01915640      -0.09261496      -0.10662575 
O       1.64111624       3.88265338      -9.75389491       0.60910203      -0.37326703      -0.01264835 
O       6.91726315       4.74472387      -4.41972237       0.74722273      -0.03731304      -0.33777108 
O       6.76631617       3.72636419      -9.75215213       0.06788218       0.61753013       0.15613338 
O       4.46308212       4.07291223      -3.39073193       0.20935452       1.39319873      -0.41634922 
O       4.20673983       3.45722194      -8.58855427      -0.03786114       0.08531808       0.44310658 
O       9.63279480       4.16685947      -3.44702221      -1.10848689      -1.25256428      -0.28943445 
O       9.39587176       3.27224040      -8.68631440       0.19630030       0.64265031      -0.20132414 
O       4.32983054       9.35326255      -3.44848998      -0.22198196      -0.31969299       0.61550812 
O       4.35332985       8.45217051      -8.69397752       0.25755308       0.28409220       0.75929617 
O       9.42946619       9.34905076      -3.36275407       0.73982268       0.59646532      -0.39028094 
O       9.53917949       8.53976746      -8.66595156      -0.59878061      -0.91013552      -0.05515889 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011806663762547397 0.0025717951420003646 0.00014515152510706267 0.0025717951420003646 -0.019516000248703667 -0.001717757239913908 0.00014515152510706267 -0.001717757239913908 -0.020323048499947254" pbc="T T T" energy=-946.61563754 free_energy=-946.64744257 config_type=crystal 
Hf       2.84109525       2.11989625      -9.39088339      -0.40294043      -0.21097483      -0.22128993 
Hf       7.97243055       2.97901035      -4.17412797       0.21655948      -0.49529356       0.28285728 
Hf       8.05824119       2.06818551      -9.40311205      -0.63439591      -0.16917900      -0.02278580 
Hf       2.85722972       8.20163328      -4.15244605      -0.06236758      -0.96974460      -0.02509226 
Hf       2.76108011       7.30079481      -9.42823533       0.55939415      -0.38417377      -0.02318815 
Hf       7.92869603       8.25496198      -4.22388132      -0.49015142      -0.27086743       0.59581859 
Hf       8.00440844       7.28063655      -9.42010757      -0.05406118      -0.74792859       0.52367581 
Hf       0.28967187       0.90424951      -3.75102139      -0.75088811      -0.65477468       0.48595685 
Hf       0.22805627      -0.08157741      -8.92004451       0.55274261      -0.82190659      -0.96973032 
Hf       5.29851691       0.83431905      -3.66407066       0.62592310      -0.44146656      -0.87647897 
Hf       5.48028047      -0.07324407      -8.99658579      -0.41604309       0.13386300       0.09186718 
Hf      10.31128657       5.95192573      -3.47114478      -0.02176856      -0.10843731       0.20797019 
Hf       0.20196666       5.03036822      -8.89881085       0.34868154       0.21318817       0.27621452 
Hf       5.37657660       5.88299050      -3.73111469      -0.04473045       0.35232619      -0.37096416 
Hf       5.47696887       5.07350559      -8.97648998      -1.01533217      -0.78267578       0.67013959 
Hf       2.43531818       1.27064455      -1.12957176      -0.59064050       0.07928631      -0.13887540 
Hf       2.38314092       0.44499359      -6.27991088       0.62422703      -1.13359665      -0.42800827 
Hf       7.60553499       1.17384921      -1.11611674      -1.08249394       0.79006173       0.29946335 
Hf       7.54680292       0.38851572      -6.37378642      -0.49325059       0.50836326       0.49268127 
Hf       2.26797946       6.36644159      -1.10363637       1.29636957       0.05329848       0.48123710 
Hf       2.62155320       5.33031627      -6.49235955      -0.49106148       0.46089650       0.40072511 
Hf       7.62497160       6.31365636      -0.96038770      -0.85007007      -0.09667327      -0.55481553 
Hf       7.60804435       5.44751954      -6.31568742      -1.23852984      -0.44986587      -0.05979818 
Hf       4.94349279       3.51939214      -1.59241298      -0.70712137       0.03732850       0.44618668 
Hf       4.90152109       2.48065103      -6.73932575       2.26809378       0.29000063      -0.35582970 
Hf      10.21604508       3.39696651      -1.53397743       1.11380912      -1.51500456       0.23675277 
Hf      10.24161123       2.51966451      -6.73522370      -1.33304814       1.15590860      -0.95919560 
Hf       4.92897516       8.46684055      -1.56602648       0.66356213       0.38752774       0.52061200 
Hf       5.01748707       7.71659321      -6.83371383      -0.20161030       0.64690360       0.63993576 
Hf      10.15365988       8.68767584      -1.63440744       0.18429902      -0.36009119       0.99617267 
Hf      10.11819479       7.74110867      -6.78226474       0.24020828      -0.17558848      -0.50034451 
O       1.26636562       2.27610004      -2.62370231       0.61504249      -0.01188493      -0.02808108 
O       1.32967691       1.41952648      -8.01398578       0.01469630       0.57185509       0.57923700 
O       6.64324000       2.26767876      -2.67946756      -0.84643319       0.65673523      -0.54656378 
O       6.51111057       1.53180350      -7.97139803       0.52221313      -0.16546252      -0.16122789 
O       1.25373300       7.41411298      -2.68326331      -0.43699507       1.08024212      -0.34930229 
O       1.34396159       6.65004486      -7.91843676      -0.34696018      -0.49907207      -0.71417234 
O       6.43557115       7.50918915      -2.87502447      -0.07140399       0.13222138       0.84622461 
O       6.53803349       6.65290822      -7.95406398       0.15714804      -0.54021497      -1.01301109 
O       4.06212770       1.22803981      -5.34425751      -0.13577642      -0.53400423       1.76151496 
O       4.02099959       0.56579561     -10.33095456      -0.70195888       0.15226459      -0.90539722 
O       9.02721433       1.38315906      -5.10738468       0.76559536       0.51670636      -0.14364998 
O       9.30049571       0.58669581     -10.40086168      -0.94582344      -0.72211838       0.74978773 
O       3.93014041       6.55506676      -5.15721710       0.37544024       0.19947132      -0.67445907 
O       3.94884543       5.56852668     -10.40647204       0.42983378       0.58935301      -0.01050739 
O       9.13374831       6.61857598      -5.05144912       0.02602352       0.41211021      -0.44446574 
O       9.16341354       5.72236030     -10.24297835      -0.39727903      -0.46639219      -1.21236447 
O       4.02918538       1.81211793      -2.39230250      -0.48632430      -0.04116804       0.17181608 
O       3.90223831       0.99203999      -7.75892142      -1.12277173      -0.64157886      -0.77456169 
O       9.12904629       1.78456300      -2.37217319      -0.29602617       0.41773328      -1.43417650 
O       8.99968441       0.99406386      -7.84117734       0.85087011      -0.51977455       1.01131617 
O       3.76713621       6.93509430      -2.55044246       0.07965692       0.52786304       0.35370908 
O       3.87539176       6.18240245      -7.84949222       0.54607426      -0.32584984      -0.03304672 
O       8.89777204       7.04926961      -2.42643370       0.80140837       0.26094222      -0.19037182 
O       9.03247837       6.07979240      -7.64022155       0.66755217       0.75118933      -0.54699641 
O       1.35811733       2.83682594      -0.15270350       0.00784169      -0.18635393       0.78404727 
O       1.16150614       1.87578373      -5.39594968       0.42940411      -0.34586553       0.01793761 
O       6.57399326       2.80498946      -0.03705005      -0.42781251      -0.10906054      -0.91195533 
O       6.52340406       1.99624023      -5.31586739      -0.74209412      -0.41311719      -0.31179059 
O       1.28073634       7.90981431      -0.10779712      -0.54976478       0.94608229       0.10360703 
O       1.38380172       7.27587104      -5.37398866      -0.65488445      -1.38539692      -0.01254914 
O       6.52899705       7.98580226      -0.14172377      -0.57190267      -0.66247024       0.07726182 
O       6.48814199       7.02680790      -5.44146647       0.16917018       0.10825553       0.28055084 
O       3.36912235       4.65158976      -0.75225046       1.38465887      -0.33436265      -0.33881739 
O       3.52756001       3.68776286      -6.13964228      -0.83381899       0.78859768       0.62670077 
O       8.70865443       4.54731838      -0.85492854      -1.13228691       1.96817323       0.56449629 
O       8.82220384       3.82368110      -6.02566158      -0.41871053      -0.46678903       0.47649191 
O       3.48023825       9.74358975      -0.82150875      -0.29801154       0.09349720       0.23377632 
O       3.57086178       8.93659847      -6.03965980      -0.50827846       0.15342115       0.61739779 
O       8.68468381       9.82313532      -0.79436873       0.42221730      -0.88656567       0.06175661 
O       8.72521667       9.00946360      -6.00999775      -0.04208827      -0.36540065      -0.51795945 
O       0.86752625      -0.02870799      -1.93233162       1.59087936       0.42349775       0.89667964 
O       0.96208843      -0.93706441      -7.12179958      -0.31169389       0.14468804       0.46414924 
O       6.00409296      -0.03049502      -1.83124406       0.97568510       0.12147837       0.22076244 
O       6.12998790      -0.79655835      -7.19975068       0.10017861      -1.26451772       0.90342585 
O       0.95198023       5.06154207      -1.86364204      -0.65438386       0.31638048      -0.28944974 
O       1.01769625       4.22705681      -7.04963379      -0.77736090      -0.54113090      -0.11206906 
O       6.12474184       5.18159179      -1.84953755       0.40919692       0.18539239       0.77979860 
O       6.03224214       4.26462290      -7.03538218       0.86617009       0.98607435      -0.23419882 
O       1.64441651      -0.45083347      -4.49496967       0.47503358      -0.06332054       0.04825253 
O       1.76027016      -1.26084015      -9.69232557      -0.52609412       0.02234397      -0.42586717 
O       6.68857702      -0.49001651      -4.60171841       0.32286325       0.47572495       0.29808755 
O       6.95112886      -1.33695133      -9.71333115      -0.67200281       0.52734375      -0.15040841 
O       1.48517277       5.82247270      -4.78941584      -0.20056157       0.85522029      -0.77463208 
O       1.68905010       3.89332257      -9.62310624       0.18789760      -0.91032762      -0.32798640 
O       6.86836954       4.66797188      -4.42256205       0.21360899       0.12034428      -0.24354237 
O       6.93656624       3.84316703      -9.59588473       0.27219825      -0.15132913      -0.81813267 
O       4.13226905       4.36092351      -3.28225196       0.78375049      -0.50824420       0.21488747 
O       4.28782725       3.26753185      -8.63563280       0.60080476       1.42985054      -0.54986047 
O       9.52476275       4.13977134      -3.45542751       0.12864212      -0.10087959       0.24538087 
O       9.40785157       3.33552511      -8.64202902       1.35614569       0.67861251       0.22132022 
O       4.28558773       9.27582454      -3.36502671       0.17587372       1.33288210      -0.34709025 
O       4.27042112       8.50722465      -8.59836339      -0.00690134      -0.01484575      -1.10270559 
O       9.43045513       9.43812804      -3.44637096      -0.31019175      -0.80756517       0.15668794 
O       9.43730691       8.43976629      -8.66228014       0.98245971       0.64961455       0.62838250 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01661357271379303 0.004284978772547572 0.000376614458210424 0.004284978772547572 -0.01172682307685812 0.0006206528587987246 0.000376614458210424 0.0006206528587987246 -0.015186879701097186" pbc="T T T" energy=-946.67566138 free_energy=-946.709238 config_type=crystal 
Hf       2.78534217       2.12867933      -9.47429195       0.52111228      -0.21866397       1.23338404 
Hf       7.95747143       3.00944469      -4.19284001      -0.15978352      -0.68152877       0.47425594 
Hf       8.04370880       2.17315077      -9.45639024      -0.20950379      -0.42727952       0.99247714 
Hf       2.86515481       8.18100822      -4.10614435       0.10440395      -0.15306277      -0.03333887 
Hf       2.79900344       7.24012306      -9.43483716      -0.05248455       1.02591893      -0.36088191 
Hf       7.95673497       8.26743069      -4.18417073       0.29801384      -0.07480430       0.20408529 
Hf       8.00278257       7.23542185      -9.41547271      -0.23628629       0.98266138       0.80663735 
Hf       0.24621550       0.88744451      -3.82567561       0.39659224      -0.67067968       1.20626474 
Hf       0.24745132      -0.07245978      -8.89044535       0.16294276      -0.66275533      -0.71074115 
Hf       5.32352001       0.80698727      -3.66436111      -0.04713967       0.61608199      -0.33884658 
Hf       5.32168862      -0.12338392      -8.94665792       1.16381609       0.33836350       0.20191012 
Hf      10.37478302       5.92070704      -3.46570663      -0.59022598       0.93014401       0.10216329 
Hf       0.22905738       5.07567301      -8.99709150      -0.85693083      -0.25459535       0.85557753 
Hf       5.46287506       5.96286505      -3.74126908      -0.64451250      -0.25647105       1.93589119 
Hf       5.40569914       5.01511989      -9.00024703       0.07075886      -0.17138530       1.18930384 
Hf       2.33273521       1.28089920      -1.16709981       0.26488825      -0.27926524       0.24969018 
Hf       2.36552314       0.47643242      -6.26126299       1.55932042      -0.97119481      -0.89025792 
Hf       7.55048368       1.26672917      -1.12497839      -0.74575308      -0.33930347       0.87577082 
Hf       7.57271299       0.29747999      -6.38920002      -0.56885506       1.54105641      -0.20548431 
Hf       2.30784287       6.26369815      -1.05245022       0.30623437       1.87204796      -0.75476884 
Hf       2.59371157       5.23795157      -6.55374324      -0.21781346       0.05841960       0.96817398 
Hf       7.61827287       6.43775104      -1.07467912      -0.50366796      -0.34148046       0.57561803 
Hf       7.62955580       5.50924123      -6.29593214      -1.06636404      -0.19120472      -0.38410887 
Hf       4.94163480       3.39452317      -1.50465823       0.83109793       0.67747150      -0.45065693 
Hf       5.03931573       2.50875530      -6.72289538      -0.50765653      -0.32035309      -1.03689223 
Hf      10.13528090       3.29617893      -1.49983048       0.76533106       0.62051065      -0.59585457 
Hf      10.19510240       2.56610233      -6.75321078      -1.26448936       0.88452080      -1.49788446 
Hf       4.95943784       8.59700787      -1.47715814      -0.13736559      -0.07171673      -0.07588894 
Hf       5.00890541       7.65524591      -6.77248975      -0.02916948       0.77440502       0.54729444 
Hf      10.19141904       8.73226656      -1.53106961      -0.45260744      -0.90719670      -0.15777228 
Hf      10.17884429       7.68197472      -6.81619476      -0.36236444       0.40681932      -0.63534222 
O       1.29948583       2.28598890      -2.66545201      -1.25272817       0.16493373      -0.12869842 
O       1.42283453       1.50370876      -8.08303332      -1.35843156      -0.55819729       1.35161556 
O       6.52215171       2.39604659      -2.64804026      -0.02341433      -0.21776577      -1.17396648 
O       6.52420182       1.41244321      -8.00545122       0.24697480       0.17013730      -0.09081365 
O       1.24029731       7.58533329      -2.83170599       0.38828701      -0.61347540       0.46634881 
O       1.33647455       6.63512817      -8.03894619       0.56353980      -0.14150057      -0.32991791 
O       6.66314521       7.56944279      -2.64984888      -1.09433292      -0.26168639      -0.34575840 
O       6.55848284       6.64121809      -7.90774390       0.27641352      -0.16605566      -0.37359847 
O       4.12710622       1.14266874      -5.31314848      -0.00422243       0.16557044       0.57757451 
O       3.88776972       0.60394105     -10.31215767       0.52597538      -0.61179708      -1.17411455 
O       9.10804345       1.39537330      -5.17838901      -0.00223403       0.36734938       0.06825111 
O       9.10742460       0.54295679     -10.35891846       0.62163015      -0.41806773      -0.42144765 
O       3.99018561       6.55977980      -5.06890434      -0.02006370      -0.29645199      -0.64268465 
O       3.87660992       5.57230809     -10.30929479       0.02706910       1.02008858      -0.51906529 
O       9.22778942       6.75533867      -5.18020383      -0.19155175      -0.72122585       0.94935795 
O       9.14324390       5.71259871     -10.32660543      -0.48234055       0.27247421      -0.76146269 
O       3.94389965       1.69479222      -2.37453257       0.33788465       0.64848807       0.20090633 
O       3.84265090       0.99326159      -7.77756616       0.27906295      -0.24364794      -0.11732012 
O       8.96427875       1.80913457      -2.57672480       0.73309862       0.48364494       0.14354178 
O       9.09824623       1.02378637      -7.80902370      -0.11917893      -0.21027417       0.44253199 
O       3.82816860       7.02707710      -2.47263260       0.04040673       0.02577637       0.08757301 
O       3.99898650       6.07813354      -7.74138408      -0.97512514       0.40922048      -0.61175296 
O       9.07540462       7.11169247      -2.46260916      -0.36958084      -0.73128810       0.02490138 
O       9.01920892       6.00218558      -7.69719920       0.89637466       1.12217727      -0.65632565 
O       1.27856892       2.87974280      -0.14486135      -0.54106613      -0.53945764       0.11012778 
O       1.16704271       1.89863062      -5.48303482       0.32038729      -0.21623587       0.93814638 
O       6.55685010       2.87391439      -0.14337667      -1.06970665      -0.42781226       0.34165635 
O       6.55111913       2.02370956      -5.42223727      -0.07963071      -0.06065097       0.87978103 
O       1.27500370       7.93275128      -0.09594689      -0.08776985       0.11315730      -0.55181462 
O       1.48921127       7.08048647      -5.55371982       0.37531883       0.44108945       0.35197612 
O       6.42504048       8.06953488      -0.00414731       0.08051456      -1.00990861      -0.68197550 
O       6.47311368       7.15556379      -5.28377089       0.08776523      -0.55117476      -0.52878803 
O       3.52411927       4.76025233      -0.84071149      -0.15207100      -1.15442476       0.47463432 
O       3.54726947       3.63021291      -6.10959475      -0.67147692       0.62817001       0.28517223 
O       8.80708284       4.72782462      -0.71799693      -0.36589210       0.15874804      -0.82710876 
O       8.67373348       3.77122593      -6.01546246       0.35348936       0.08015963      -0.05545590 
O       3.43525804       9.80077506      -0.89843950       0.17476634      -0.90864283       1.14060946 
O       3.51988107       8.88661808      -6.00431798      -0.25314789       0.06236690      -0.11780815 
O       8.65223357       9.88863217      -0.78941896       0.79428224      -1.12323193       0.15029031 
O       8.56056987       8.91827252      -6.22757134       0.88076587      -0.98288899       0.67906030 
O       0.87824156       0.00673404      -1.84060166       0.46260162       0.73378335      -0.29283854 
O       0.84803634      -0.85502817      -7.01224740       0.40880762       0.33024019       0.01477047 
O       6.09515059       0.00175405      -1.77481077      -0.08057602       0.07162042      -0.20485732 
O       6.06494860      -0.91380393      -7.08183320       0.02783180       0.46213076       0.08253376 
O       0.82119260       5.12005075      -1.81132592       0.59036037      -0.00758650       0.00108240 
O       0.89665337       4.33674419      -7.10536596       0.15817162      -0.77417819       0.30634305 
O       6.11179553       5.23258145      -1.64484062      -0.11677394      -0.04273664      -0.57799158 
O       6.02523357       4.34665470      -7.01491024       0.70534146      -0.04434482      -0.06915969 
O       1.74385059      -0.38085090      -4.46580524      -0.31933298      -0.05504875       0.54065075 
O       1.73645114      -1.28166214      -9.72509044      -0.16873022      -0.03137301       0.20762754 
O       6.90427383      -0.29887171      -4.40391101       0.31595796      -0.39021076      -0.63957348 
O       6.81902915      -1.40269423      -9.71847539       0.03375692       1.06858719       0.17943377 
O       1.45255773       5.76962936      -4.87383939       0.20658746      -0.37946716       0.12443441 
O       1.56578743       3.76322968      -9.65876276       0.95337924       0.25604566      -1.25250604 
O       7.06183299       4.86572278      -4.33042183       0.10558849      -0.26732096      -0.28636773 
O       6.89779756       3.88359701      -9.69860744       0.53038738      -0.38266831       0.00467162 
O       4.58196642       4.18673663      -3.30096107      -0.08985741       0.74122562      -0.83286642 
O       4.22343069       3.30492935      -8.72697834       1.16145172       0.91076098       0.48376226 
O       9.52869672       4.14373504      -3.41278631      -0.12744254      -0.45886773      -0.02055745 
O       9.48926046       3.36959758      -8.64186868      -0.15737270      -0.12501336      -0.00829391 
O       4.37390752       9.30798280      -3.35353980      -0.20644293       0.02958188      -0.63445824 
O       4.32394828       8.44821334      -8.64178530      -1.04947925      -0.88518528      -0.41877134 
O       9.45772093       9.33939216      -3.44330238       0.90484448       1.23044742      -0.15308777 
O       9.62868419       8.37747704      -8.67696741      -0.87938442       0.03577506      -0.53614968 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013428526112968233 0.0030228001814068166 0.005994246367922036 0.0030228001814068166 -0.02213929332103758 -0.0030061929611699405 0.005994246367922036 -0.0030061929611699405 -0.018448218983024123" pbc="T T T" energy=-946.68779418 free_energy=-946.71993633 config_type=crystal 
Hf       2.80074350       2.03689867      -9.36708560       0.08155149       0.00736072      -0.38757237 
Hf       8.00306456       2.98312394      -4.12043060      -0.35554045       0.12834193       0.37759857 
Hf       8.06197255       2.04370732      -9.34578694       0.31492419       0.57516212       0.77252474 
Hf       2.82765935       8.16854846      -4.13035576       0.32538991      -0.91333672      -0.35425211 
Hf       2.76149541       7.30308775      -9.53116595       1.71136757      -0.92963615       0.66764980 
Hf       7.95599902       8.25128895      -4.26194153      -0.21907339      -0.12473535       0.64830543 
Hf       8.01076263       7.20357993      -9.38461958       0.50586342       0.26849804       0.06818862 
Hf       0.29981778       0.83220835      -3.67601813      -0.86558316       0.15351473      -0.30806588 
Hf       0.25542327      -0.15743538      -8.97815002      -0.04570674       0.92615785       0.64371589 
Hf       5.29068782       0.89011564      -3.77479765      -0.03660979      -0.08588859       0.15560847 
Hf       5.43915371      -0.09361063      -9.01893891      -1.23940005       0.01915144       1.36557082 
Hf      10.26272992       5.94261339      -3.48281072       0.47500985       1.08170406       0.49420693 
Hf       0.29314815       4.98806931      -8.97163976      -0.81612608       0.10169550      -0.08459204 
Hf       5.47468259       5.92856383      -3.72666822      -1.46206393       0.22351329      -0.57908298 
Hf       5.48115159       4.98429405      -8.98612038      -1.09883339       0.26243660       0.89032217 
Hf       2.40415301       1.27883164      -1.12280340       0.48362560       0.58205629      -0.97681592 
Hf       2.42317597       0.32156276      -6.28577094      -1.24769017       1.06746686       0.02279174 
Hf       7.47014924       1.22954724      -0.98462935       1.40411696      -0.41755933      -1.03573672 
Hf       7.52493997       0.46787218      -6.30042335       0.88566710      -0.94653929      -0.70855761 
Hf       2.46237284       6.38622116      -1.14193841      -0.97756568       0.14707770       0.16296556 
Hf       2.55602826       5.42422193      -6.42236927       1.15666911      -0.67539674      -1.75955853 
Hf       7.57628631       6.29272537      -0.99994183       0.34799036       0.94418707       0.50664046 
Hf       7.50917987       5.44425758      -6.31676478       0.95327275      -0.02682671      -0.97269731 
Hf       5.00335980       3.55245610      -1.65844927      -1.44533322      -1.38731190       0.02788397 
Hf       4.89465321       2.52401301      -6.73543150      -0.21788216       0.19820424      -0.56459025 
Hf      10.21049230       3.41250010      -1.49536090       0.29931243      -0.39887561       0.50541647 
Hf      10.20948548       2.55597269      -6.73089924      -0.28253164      -0.06899993      -0.19508885 
Hf       5.01319047       8.61620491      -1.60366131      -0.22772080      -0.04634845       0.53878013 
Hf       4.96528737       7.81549865      -6.82590160       0.26398907      -1.31238480      -0.44874262 
Hf      10.15119540       8.61571743      -1.55968675       0.42201505       0.86175848       0.59036092 
Hf      10.10668556       7.73343992      -6.86274081       0.03470015      -0.63914142      -0.19584512 
O       1.31620402       2.32983227      -2.64094963      -0.74577490       0.05491317       0.20096098 
O       1.31391785       1.38846263      -7.95495453       0.41033900       0.28800632      -0.25542557 
O       6.51843916       2.48708510      -2.77663094      -0.25336237      -0.61512665       0.06725438 
O       6.52490920       1.39260041      -7.94616481       0.15446243       0.72297662      -0.48933010 
O       1.38662820       7.55521465      -2.76889600      -1.36593121      -0.17111676       0.49905838 
O       1.39467475       6.61225697      -8.14638335      -0.31577881      -0.43983957       1.15627209 
O       6.50463991       7.51116830      -2.70461730       0.26672326       0.32657157      -0.37088457 
O       6.65550679       6.57409007      -7.93958609      -0.93792313      -0.10156474      -0.16959257 
O       3.93719313       1.29999401      -5.26791353       0.66556451      -0.35029749       0.45353611 
O       3.92248609       0.48188496     -10.31982646      -0.44254947       0.66478468      -0.79122529 
O       8.96484534       1.43036455      -4.94188433       0.74374908      -0.19623966      -0.75646781 
O       9.12691451       0.54017052     -10.25538752       0.33486019      -0.20170801      -0.58690603 
O       3.95822413       6.58457913      -5.22433810      -0.08937372       0.04120085       0.31689006 
O       4.00017557       5.66498806     -10.41317393      -0.45241040       0.09683728      -0.71470813 
O       9.16054810       6.55655153      -5.13697743      -0.50815787       0.64354066       0.19506875 
O       9.06613222       5.72719453     -10.38163784       1.29746324      -0.54521394       0.20172313 
O       4.06708107       1.77374798      -2.38405502      -0.60962733       0.13937256       0.20015075 
O       3.81429610       0.94062444      -7.77782657       0.29517418       0.27226071       0.09566936 
O       8.93345917       1.92980495      -2.28013378       0.65890727       0.35273990      -1.27891038 
O       9.07950879       0.97291928      -7.68313135      -0.23904142       0.22954601       0.35552685 
O       3.86121545       7.10078181      -2.57118700       0.24181350      -0.79586367       0.48545644 
O       3.99263876       6.11133859      -7.83934845      -0.56650874       0.12681537       0.42689004 
O       8.97226276       7.10313552      -2.40215478      -0.06033310      -0.76883691      -0.77478233 
O       9.10228193       6.10933219      -7.75098487       0.03529877       0.11467565      -0.25588628 
O       1.32573785       2.87054098      -0.14051736      -0.46832780      -0.45582216       0.62991161 
O       1.06394262       1.74925444      -5.35358035       0.54467354      -0.19515301      -0.66901899 
O       6.42048361       2.77108367      -0.10423679       0.34905097       0.52970954       0.19452838 
O       6.40995554       2.00092478      -5.36900403      -0.00520728       0.06722404       0.28358369 
O       1.32493052       7.90522924      -0.15803055      -0.70471484      -0.08435656      -0.18675317 
O       1.36936420       7.04733369      -5.45577824       0.10939276       0.25288612      -0.01390816 
O       6.48192371       7.86910375      -0.02661741      -0.07376168       0.43730520      -0.76066283 
O       6.37968747       7.04605962      -5.34712385       0.97206953       0.29088086      -0.17003539 
O       3.53346409       4.71988352      -0.85053762      -0.01797700      -0.49310484       0.42344557 
O       3.50200134       3.75031073      -6.02773250      -0.09176336       0.65372303      -0.47675633 
O       8.78448914       4.69869266      -0.70827737      -0.56422197      -0.29299003      -0.02974300 
O       8.76216372       3.81754557      -6.03585974      -0.28638810      -0.40280121       0.45082634 
O       3.43766058       9.80245110      -0.91578258       0.38850741      -0.63986412       0.12489588 
O       3.53093634       8.93732624      -6.07590173      -0.65117128      -0.17702559       0.50051899 
O       8.78416299       9.89308388      -0.79513937      -0.91888845      -0.10875085       0.91722161 
O       8.73277477       8.91754090      -6.07829712      -0.81035763       0.56279528       0.44388061 
O       0.88864047       0.05032743      -1.88837207       0.23604067      -0.94893970       1.19288259 
O       0.93361393      -0.98061713      -7.14046752       0.51857194       0.12775912       0.62989905 
O       6.10315798       0.05513333      -1.83185761      -0.31606716      -0.49217591      -0.28013834 
O       6.18253422      -0.87526756      -7.08481148      -0.54400580      -0.25847362       0.17344143 
O       0.77391188       5.26005657      -1.78680086       0.97364380      -0.24567736       0.19391854 
O       0.93507844       4.24974736      -7.07229783       0.64722576       0.55730621       0.18666055 
O       6.16423930       5.18699705      -1.86626582       0.08297171      -0.19211745       0.06230166 
O       6.13595255       4.16931907      -7.12591623      -0.08475582       0.49826484       0.36427917 
O       1.72591278      -0.45812173      -4.33675883      -0.25172783       0.14484857      -0.99531136 
O       1.73648460      -1.29723517      -9.72205850      -0.60668578       0.47219418      -0.71458551 
O       6.94082148      -0.31547009      -4.48345977      -1.07602025      -0.42391291       0.46939171 
O       6.81209497      -1.40663665      -9.58917454       0.77535787      -0.03945038      -1.37230106 
O       1.52389230       5.76763866      -4.66530113       0.01643944      -0.21185543      -0.27106035 
O       1.65977918       3.71506568      -9.67836914       0.60008916       0.56300445      -0.54934945 
O       6.90094010       4.70951493      -4.50503910      -0.23944525       0.07514779       0.56319128 
O       6.93161578       3.71915279      -9.58821280       0.09251652       0.37417652      -1.22315074 
O       4.21829238       4.30773014      -3.41600505       0.90507365       0.58237718       0.49965167 
O       4.31190032       3.24009603      -8.74824002       0.23926186       0.53192752       0.49985949 
O       9.49499840       4.18300375      -3.36259246      -0.35912343      -0.73901928      -0.26781033 
O       9.55347581       3.27625323      -8.64638939      -0.30444952       0.09257687      -0.15538525 
O       4.28309021       9.33112447      -3.52820391       1.65789179       1.18035698       0.90147535 
O       4.20296119       8.53514785      -8.69348609       0.59636131      -0.34099048       0.27263540 
O       9.33815357       9.37150688      -3.36340069       1.31025460       0.36716128      -0.11297457 
O       9.46892032       8.52304757      -8.68810527      -0.44862553      -0.99844827       0.16695157 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02023966961508168 -0.004893446919781693 0.006664391242126906 -0.004893446919781693 -0.027506469347926717 -0.0020571830828203285 0.006664391242126906 -0.0020571830828203285 -0.023989843754434595" pbc="T T T" energy=-946.66638258 free_energy=-946.70022711 config_type=crystal 
Hf       2.83920629       2.01499651      -9.36622770       0.04202931       1.35823350      -1.14545939 
Hf       7.96090916       2.96049674      -4.12202732       0.44763104      -0.41580004      -0.53912842 
Hf       8.08391477       2.09215230      -9.30111200      -0.06134069      -0.49937972      -0.93740483 
Hf       2.84508055       8.15782215      -4.11020314       0.34065608       0.85888184       0.29363860 
Hf       2.76832484       7.27679389      -9.54133892       0.01796515      -1.10399161       0.67116264 
Hf       7.97680600       8.26030003      -4.26960401      -0.10611588       0.02811161       0.88113078 
Hf       7.97067001       7.20779649      -9.37366106       0.94420035      -0.77283444      -0.76807561 
Hf       0.28384208       0.85103979      -3.68616694      -0.48794045      -0.00855440      -0.56262449 
Hf       0.25981161      -0.18806394      -8.94850844      -0.59254403       1.05903955      -0.25120474 
Hf       5.31148566       0.88842489      -3.74921665       0.15815591       0.47486368      -0.29894201 
Hf       5.40826024      -0.12258550      -8.99517262       0.11095793       0.65085840       0.05007208 
Hf      10.32673705       5.95226349      -3.46777231      -0.33787384       0.11582390      -0.38735496 
Hf       0.28685817       4.98435779      -8.96098083       0.04295402       0.26464712      -0.96597434 
Hf       5.48790591       5.95891624      -3.71245663      -0.52972969      -0.14982817      -0.35232265 
Hf       5.47543059       4.98791561      -8.96812101      -0.86506245       0.22188978       0.19728029 
Hf       2.38670801       1.28443938      -1.10620061       0.22452211       0.59451241      -1.85610205 
Hf       2.41887314       0.30443412      -6.27606693      -0.36810530       1.32765293      -0.34764369 
Hf       7.48181141       1.19216463      -0.94119610       0.73106854       0.63293639      -2.35175098 
Hf       7.49309621       0.44212610      -6.37134336       0.85415503      -0.37562620       1.00591513 
Hf       2.41343185       6.40132311      -1.15143850      -0.48638895      -0.21843465       1.00499241 
Hf       2.60478867       5.39018400      -6.43963538      -0.41847828       0.57677236      -0.81774890 
Hf       7.59296876       6.31479664      -1.00833768       0.34141426       1.06604643      -0.23036518 
Hf       7.52553087       5.48463685      -6.36444804       1.21371916      -0.82457388       0.63044936 
Hf       5.02264554       3.53644644      -1.63922952      -0.67208854      -0.49062759       0.77134383 
Hf       4.89880361       2.55281324      -6.76928728       0.30419504       0.34343768       0.70731228 
Hf      10.16959609       3.41762859      -1.51446262       0.47018178      -0.68426573       0.50497774 
Hf      10.22117923       2.60353593      -6.73094639      -0.62527215      -0.34737165       0.01745158 
Hf       4.98542843       8.56913499      -1.58625344       0.38291244       0.54034013       0.93741205 
Hf       4.92462038       7.80360089      -6.83141798       0.39398044      -1.96562604       0.67993219 
Hf      10.11574600       8.66755760      -1.58625785       0.42744144      -0.37570203       0.97364934 
Hf      10.11048373       7.73529812      -6.86668829      -0.40679378      -0.50707258       0.39474756 
O       1.21546294       2.36734820      -2.65215974       0.41623502      -0.61556058       0.23950366 
O       1.43908266       1.30872879      -8.03336975      -0.47015857       0.29831748       0.22575824 
O       6.55529915       2.37680234      -2.77458984      -0.11098330       0.04422062       0.56887593 
O       6.58076545       1.38918582      -8.03290825      -0.54310051       0.18448112       0.43349065 
O       1.25276202       7.61754465      -2.78724116       0.28137949      -0.60797959       0.26764967 
O       1.34057623       6.55396145      -8.03056137       0.72303354       0.76625141      -0.29523216 
O       6.53141705       7.52557885      -2.65828988      -0.14817265       0.36913406      -0.54761764 
O       6.58609234       6.61312099      -7.88831541      -0.12020875       0.01715005      -0.70630122 
O       3.97312423       1.27235588      -5.25979878       0.21849062       0.12612404       0.13469103 
O       3.95138596       0.59543031     -10.41119268       0.00248477      -0.76100690       0.94284326 
O       8.99514604       1.38990424      -5.02975081       0.35273571       0.40051367       0.06132609 
O       9.13741567       0.51302796     -10.27850414       0.43120423       0.21535286      -0.11603834 
O       3.94313992       6.59147191      -5.16040550       0.47719511       0.32587590       0.26463833 
O       3.92635481       5.62743647     -10.39210346       0.08405412       0.30696294      -0.01203538 
O       9.09865862       6.64982706      -5.15125046       0.60651208      -0.03360362      -0.49408630 
O       9.17651123       5.66984817     -10.45507242      -0.48552078       0.05677186       0.46469864 
O       4.17589769       1.80968329      -2.29575581      -2.08048110      -0.77111769      -0.29659159 
O       3.92935677       0.99349705      -7.73499952      -0.26992686      -0.92539069      -0.84648799 
O       8.99571023       1.89093638      -2.38695329       0.10967026      -0.00535063      -0.21864879 
O       9.05278557       0.98966722      -7.65926079       0.58424184       0.20200299      -0.28519518 
O       3.82924036       7.12754806      -2.52700883      -0.01102616      -0.80626121      -0.48650384 
O       3.96961408       6.06463997      -7.75929713       0.17513407       0.75703282      -0.87805492 
O       8.94195489       7.01528695      -2.55485596      -0.26525083       0.67570967       0.66893730 
O       9.16914534       6.13849932      -7.85343509      -1.36765091      -0.60760789       0.73174667 
O       1.35353272       2.87227625      -0.13587116      -0.80352961      -0.32876580       0.23482068 
O       1.11746750       1.68622229      -5.51348294      -0.29774689       0.46904917       0.86713555 
O       6.48799393       2.77562324      -0.04556781      -0.36199023       0.23595949      -0.28279938 
O       6.40489474       2.03994963      -5.42822008       0.54185245      -0.47606948       0.36321527 
O       1.25050401       7.91606251      -0.18891938       0.38377594       0.03445021       0.67967708 
O       1.34994775       7.15985628      -5.33559841      -0.04389090      -0.42235220      -0.60021505 
O       6.45158727       7.94019078      -0.02819974      -0.01263345      -0.12475026      -0.31678574 
O       6.50066801       6.98606141      -5.31909128      -0.52628037       1.13491669      -0.40115224 
O       3.51828605       4.68477075      -0.86991529      -0.00307142       0.19785842       0.02909214 
O       3.53744305       3.81276025      -6.08624166       0.53257615      -1.06815689       0.11001702 
O       8.68865478       4.63398671      -0.75604737       0.20311537      -0.13598970      -0.17622587 
O       8.77666068       3.78757082      -5.99236349      -0.45272526       0.38052197      -0.32790476 
O       3.37213720       9.71668621      -0.85629057       0.55807661       0.39339562      -0.38511066 
O       3.51465942       8.92695385      -5.99880434      -0.04824664      -0.67452339      -0.09890451 
O       8.67710337       9.88771464      -0.68913838       0.43458891      -1.02445234      -0.68763754 
O       8.68941036       9.04597855      -6.03737771       0.24566101      -0.88376370      -0.54381146 
O       0.90099807      -0.02285608      -1.81284053       0.28934754       0.77894731      -0.42402243 
O       0.95086961      -1.00538560      -7.12395588       0.22832863       0.01778397      -0.00837150 
O       5.95840112       0.02161983      -1.77633482       1.44342253       0.85908265       0.46694016 
O       6.08034255      -0.92294043      -7.05999556       0.47053345       1.03077477      -0.45727440 
O       0.83945032       5.28325991      -1.77431598      -0.55630338      -1.15579820      -0.59267391 
O       0.97140603       4.31403075      -7.06008975      -0.26067483      -1.00546968      -0.03515464 
O       6.13643944       5.21311043      -1.81074398       0.33282719       0.14179186      -0.20300730 
O       6.15120696       4.22135445      -7.14325028       0.17131786       0.12879636       0.22445381 
O       1.76100933      -0.38794141      -4.41566621       0.00833286      -0.79695919       0.40711637 
O       1.60220510      -1.32578736      -9.89599009       0.46431786      -0.56690825       1.28133853 
O       6.82946744      -0.34685300      -4.46108764       0.31940552      -0.22316663      -0.19944379 
O       6.88281725      -1.39973746      -9.68439889      -0.98828020       0.51427922       0.97896497 
O       1.52549324       5.77179190      -4.72580760      -0.15050422       0.40863609       0.00227268 
O       1.73073139       3.74122607      -9.77856625       0.03428711       0.47052554       0.73789652 
O       6.85945321       4.68104643      -4.51624165       0.07254775       0.14584314       0.17836344 
O       6.99912475       3.81380930      -9.67212938      -0.33805403       0.03294830       0.45921062 
O       4.39997843       4.30294629      -3.41884567      -0.15922837      -0.01674429       0.16388083 
O       4.40112905       3.24619097      -8.69298248      -0.56717688       0.29237284      -0.64296242 
O       9.46317791       4.15725080      -3.46081672       0.76795334       0.51678014       0.85516558 
O       9.59217228       3.24462822      -8.63926852       0.18531097       0.61661301      -0.21009984 
O       4.40176172       9.43230914      -3.45036748      -1.45761843      -1.83364878       0.01238419 
O       4.31888841       8.42783911      -8.73836464      -0.66994724       0.05224398       0.09128351 
O       9.52152004       9.34287924      -3.41646036      -0.58409905       0.32188816      -0.37905534 
O       9.43982022       8.45002247      -8.71556199       0.51378508       0.49638076       0.97730158 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013072023419953777 -0.009454446503180431 -0.0009406821260738747 -0.009454446503180431 -0.018134349124063812 -0.0013539619301877158 -0.0009406821260738747 -0.0013539619301877158 -0.017026530218858627" pbc="T T T" energy=-946.84711003 free_energy=-946.88453383 config_type=crystal 
Hf       2.77543305       2.07135194      -9.34670197       0.53613501       0.39765617      -1.20773061 
Hf       7.90134586       3.00495885      -4.16697865       0.39786288      -0.00538689       0.27287877 
Hf       8.08219684       2.07506467      -9.46642218      -1.06517720       0.61629378       0.02093486 
Hf       2.89013765       8.17183293      -4.12869204      -0.59584511      -0.53039739      -1.34273057 
Hf       2.81105680       7.28590959      -9.48226704       0.55096956      -0.45189925       0.91964812 
Hf       8.01012519       8.24922833      -4.17238057      -1.06382069      -0.01530303      -0.46705901 
Hf       7.98320383       7.29389657      -9.34399019      -0.12372263      -0.23068778      -1.11855358 
Hf       0.25558203       0.80923714      -3.70949872       0.45702947       1.57321065      -0.89746740 
Hf       0.28321440      -0.14534837      -8.93296296      -0.83087740       0.35105881      -0.85256767 
Hf       5.27028637       0.81808117      -3.63232173       0.43065338       1.59872369      -1.65670380 
Hf       5.35549905      -0.08301645      -8.87195928       0.73572556      -0.74759699      -1.37242233 
Hf      10.30279770       5.89331037      -3.45998644      -0.63741445       0.68590230      -0.07777505 
Hf       0.24754743       5.07018474      -9.02583338       0.12693166      -0.53213444      -0.11891364 
Hf       5.42681097       5.98236252      -3.68318750       0.54018419       0.19694819      -0.73282417 
Hf       5.37761012       5.03334229      -8.97853171       0.46460656      -0.24741702      -0.48295209 
Hf       2.46619356       1.27189230      -1.10364341      -1.12111307       0.57669128      -0.51019507 
Hf       2.37865294       0.41687751      -6.29846467       0.11284118      -0.31064667       1.07116712 
Hf       7.56291068       1.15651508      -1.13740258      -0.59733231       1.02022771       0.67665559 
Hf       7.54514203       0.43871967      -6.30504686       0.26408309      -0.45406765      -0.03195845 
Hf       2.39030596       6.28631217      -1.13595077       0.54014244       0.99512263       0.46570685 
Hf       2.56546410       5.27272981      -6.52409925       0.63770530       1.03134530       0.53197615 
Hf       7.49751520       6.45402834      -0.97633967       0.72695951      -0.72713239      -1.05761058 
Hf       7.54063368       5.48656709      -6.35854052       0.30136488      -0.08791578       0.48643685 
Hf       4.91006014       3.50374253      -1.53482158       0.76301877      -0.95376069      -0.34412449 
Hf       5.00503981       2.48875808      -6.78133660      -0.59694506       1.26471337       0.98974286 
Hf      10.21939449       3.37195741      -1.50541070      -0.47620767      -0.37044440      -0.40159754 
Hf      10.21292466       2.63650333      -6.83880094      -1.18344381      -0.78622686       1.05656607 
Hf       4.95902784       8.59117325      -1.54295690       0.20284884      -0.10422709       0.47508904 
Hf       5.06717429       7.68654177      -6.84567788      -1.44178646      -0.20499097       1.10587955 
Hf      10.29949245       8.64173292      -1.57513290      -1.44591068      -0.07232010       0.28842129 
Hf      10.15291687       7.71186691      -6.83878866      -0.49417803       0.41218905       0.32018716 
O       1.18022592       2.36808859      -2.69320705      -0.18312975      -0.81583864       0.62107403 
O       1.31954118       1.45753556      -8.01725052      -0.01111177      -0.05408821       0.21205857 
O       6.40171760       2.51002174      -2.78854144       0.30946951      -0.85816431       0.27187501 
O       6.47837262       1.43358333      -7.93702752       0.52133432       0.30365147      -0.30009608 
O       1.27116625       7.45092561      -2.81793048       0.18635924       0.67124538       0.49550398 
O       1.42228197       6.57815008      -7.98002678      -1.01847142       0.24197186      -0.93965771 
O       6.45332037       7.55840169      -2.65619144       0.71779025       0.01086730      -0.65355742 
O       6.46342899       6.59696140      -8.05046040       0.87435194       0.26999179       0.75859960 
O       4.09121565       1.21740718      -5.27091103      -0.50310243      -0.27059717      -0.22316225 
O       3.88200778       0.38315492     -10.25388310      -0.32750459       1.43231385      -0.35347427 
O       9.07357874       1.47184687      -5.08143060      -0.37413698      -0.25279593      -0.54671866 
O       9.15038671       0.47063061     -10.37674016       0.50964855       0.41315215      -0.19786904 
O       4.09673944       6.54296249      -5.19259210      -0.59999783       0.42159768       0.02983416 
O       3.93049087       5.63847098     -10.43878055      -0.19496594       0.20690608      -0.07220687 
O       9.13881711       6.62457139      -5.11743658       1.06091035       0.57971084      -0.02675377 
O       9.08218138       5.58226269     -10.34765868       0.68849366       1.20522160      -0.17770103 
O       3.95196793       1.79308068      -2.34806784       0.04577628       0.19599040      -0.15690910 
O       3.82544946       0.98594821      -7.70591983      -0.00190781       0.31542371      -1.02307250 
O       8.90790611       1.87998374      -2.57036942       0.39177362      -0.32076301       0.93546306 
O       9.00519948       1.12325567      -7.75633481       0.34130035      -0.61395291      -0.10506556 
O       3.87648856       7.02138727      -2.53607556      -0.76238336       0.32089568       0.30927813 
O       3.93095085       6.11477613      -7.83444489      -0.32552901      -0.46994409      -0.09751911 
O       8.92557854       7.08240748      -2.51482217       0.51535447       0.26837404       0.38761573 
O       9.05165698       6.19156294      -7.74333436       0.10739449      -0.20783784      -0.21186643 
O       1.35018288       2.87034782      -0.15551104      -0.45636835      -0.59017374       0.95471983 
O       1.11979139       1.83147872      -5.43912011       0.05208200      -0.43920851      -0.29918590 
O       6.45716977       2.79427800      -0.08776452      -0.13517486      -0.04942697      -0.07081610 
O       6.48325502       2.06877220      -5.37086536      -0.16995623      -0.48983173      -0.31331475 
O       1.33622176       7.92342491      -0.14865489      -0.88502175       0.06775992      -0.21190683 
O       1.50913705       6.96456604      -5.47919055      -0.38635560       0.23830451       0.20617947 
O       6.39993826       8.00634855      -0.07754840       0.11366281       0.08732487      -0.00029744 
O       6.57011945       7.16065168      -5.39525854      -0.22802188      -0.15087527      -0.12768335 
O       3.36789069       4.59018102      -0.82698428       0.57688516      -0.46898966       0.49793501 
O       3.55908261       3.72891530      -5.97067316       0.77620628      -0.58179965      -0.83702989 
O       8.64760553       4.64552417      -0.87137278      -0.14100358       0.01328871       0.59804454 
O       8.70221681       3.83967360      -6.06184218       0.43141102      -0.21783464      -0.07687419 
O       3.54844544       9.85462829      -0.75199677       0.17444053      -0.41830387      -0.22065313 
O       3.44044591       8.83877057      -6.12080969       0.04255670       0.09325460       0.90781189 
O       8.64984401       9.80439713      -0.74309500       1.06565421      -0.88772336      -0.41862111 
O       8.61744188       8.95870001      -6.13340419       0.80963707      -0.34228397       0.53829505 
O       1.02743611      -0.05915224      -1.85111106      -0.18910112       0.24228721      -0.16311020 
O       0.94035505      -0.91836556      -7.14732031      -0.08337203      -0.19711415       0.62942879 
O       6.16724137      -0.03649167      -2.00768056       0.33420539      -0.13753318       1.79565488 
O       6.03652844      -0.90827914      -7.09465505       0.98129965       1.13794152       0.55491533 
O       0.87354369       5.17613567      -1.72619127      -1.35077104      -0.74044165      -1.09883496 
O       1.00207371       4.22210072      -7.18061200      -0.20613809       0.07565791      -0.02727522 
O       6.05718217       5.17199750      -1.78552577       0.64224327       0.59560284       0.80139254 
O       6.15857191       4.24591465      -7.14208734      -0.61725125      -0.05465526       0.33917354 
O       1.74430901      -0.42848746      -4.44554111      -0.15892968      -0.39714312      -0.02880896 
O       1.62126080      -1.36813790      -9.76034647       0.07410237       0.11416550      -0.08603765 
O       6.80822438      -0.35571013      -4.49828176       0.45731268      -0.29377438      -0.08179867 
O       6.88193178      -1.32826397      -9.62302738      -0.41708167       0.37188080      -0.61646111 
O       1.47561505       5.63646409      -4.76118323       0.22444281      -0.03258059      -0.35961901 
O       1.69389758       3.78729315      -9.73540485       0.08416155       0.51733323       0.32097346 
O       6.94726824       4.85321567      -4.42964301      -0.00197982      -0.45799625      -0.35317370 
O       6.99363826       3.92631967      -9.64861353      -0.25860544      -0.97570705       0.10353979 
O       4.33508803       4.41678251      -3.27964005      -0.57264866      -0.90328768      -0.18126578 
O       4.36443812       3.28794287      -8.82242592      -0.50621734      -0.64804434       0.90879615 
O       9.38784505       4.20067773      -3.38356686       0.76348409      -0.25762028       0.25537315 
O       9.55451993       3.34654992      -8.78869752       0.07250369      -0.08124645       0.33407278 
O       4.23233216       9.37437868      -3.35935429       0.13157859       0.09437466       0.04143355 
O       4.23200923       8.46766671      -8.63953944       0.17409945       0.05721485      -0.21502687 
O       9.49267025       9.41736954      -3.41761500       0.07532280      -0.43749427       0.24426047 
O       9.42137983       8.53828502      -8.67690073       0.70522812      -0.40949307       0.76628575 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013961145175636807 0.0012664222930595895 0.003560740991933466 0.0012664222930595895 -0.015768635206638515 -0.0021531825862478593 0.003560740991933466 -0.0021531825862478593 -0.01739202436126323" pbc="T T T" energy=-946.9092751 free_energy=-946.94062239 config_type=crystal 
Hf       2.88165034       2.14068804      -9.47487263      -0.69912887      -0.48285811       1.05522463 
Hf       7.91997317       2.99784533      -4.21663581       0.66209705      -0.42128835       0.76250350 
Hf       8.02170070       2.10790337      -9.43113895       0.61218410      -0.56664819       0.29340199 
Hf       2.91667706       8.10662550      -4.13482722      -2.16992983      -0.36379399      -0.46962818 
Hf       2.86452651       7.29446915      -9.46730559       0.15067404      -0.29906325       0.19588900 
Hf       7.98975189       8.25955535      -4.12812312      -0.61870978       0.04390482      -0.01539007 
Hf       8.06408988       7.24204512      -9.39030186      -0.80021001       0.13920857      -0.01137589 
Hf       0.34093020       0.84092350      -3.71287948      -1.13513596      -0.18745746       0.25287715 
Hf       0.26329247      -0.13371700      -8.90481792       0.22822447       0.74212844      -0.36240753 
Hf       5.22746121       0.90603839      -3.70831939       0.72800706      -0.39994151       0.08587645 
Hf       5.44561543      -0.05155806      -8.96409782      -0.12753722       0.09373278      -0.22173216 
Hf      10.24574480       5.89923451      -3.54070265       0.76593596       0.93281574       0.94452927 
Hf       0.27056016       4.99181703      -8.98036879      -0.99285066       0.37820399       0.26370808 
Hf       5.43928307       5.87149060      -3.73282944      -1.04460918       0.47434435       0.82021434 
Hf       5.47161309       4.98709344      -8.97452385       0.12398795       1.37728948      -0.02878896 
Hf       2.49753422       1.28106324      -1.08924815      -1.87950906       0.20952062      -0.01052339 
Hf       2.35432520       0.42243380      -6.29729302      -0.07435307      -0.56777017      -0.02000740 
Hf       7.50784534       1.17908437      -1.09155933       0.22347930       0.64954061       0.07604169 
Hf       7.54426717       0.40419056      -6.31251488       0.68873185      -0.33520075       0.20272426 
Hf       2.30642750       6.40135834      -1.11186956       0.55061791      -0.86159316      -0.85328804 
Hf       2.56709725       5.34254657      -6.57005065      -0.15567977      -0.16373122       0.99113618 
Hf       7.57190088       6.38047593      -1.01795265       0.24208283       0.87091398      -0.85648413 
Hf       7.48200717       5.51011187      -6.32809092       0.69165600       0.08268271      -0.74234291 
Hf       4.97520366       3.45759372      -1.59173055       0.33717002       0.08179980       0.08621311 
Hf       4.92541118       2.45542302      -6.74821040      -0.28316389       1.22669742      -0.04214427 
Hf      10.21360242       3.30311116      -1.41436664       0.15435201       1.04946668      -0.93923198 
Hf      10.15017830       2.57874747      -6.74147029      -0.27725516      -0.57289411      -0.62641606 
Hf       4.91867432       8.59040964      -1.55285612       1.50184020      -0.72109824      -0.21069474 
Hf       4.98893464       7.82270002      -6.76746889      -0.01203074      -1.66713611      -0.50519477 
Hf      10.24719934       8.71764034      -1.52071184      -0.53987722      -1.15661588       0.10357168 
Hf      10.12074706       7.69840909      -6.81792179      -0.01892978       0.04140981      -0.10742379 
O       1.19220396       2.29353624      -2.54988887       0.60076190      -0.07580443       0.16886496 
O       1.39980974       1.52397024      -7.95521033      -0.54839303      -0.51170043       0.28378329 
O       6.47210509       2.47171867      -2.78786332       0.20174297      -0.68052857       0.28325407 
O       6.63427401       1.53936755      -7.90734478      -0.93201729      -0.20393691      -0.33883284 
O       1.20979047       7.52923381      -2.80653651       0.67349315       0.16235351       0.71646175 
O       1.44290162       6.53274866      -8.06196568      -0.53167296      -0.17032419       0.14888415 
O       6.46817164       7.53413184      -2.72948615       0.17802790       0.23879364      -0.34878960 
O       6.65200869       6.58380698      -7.95158259      -0.91743256       0.39977945      -0.37045442 
O       3.97097063       1.12489442      -5.24592678       0.05750168       0.37599018      -0.91689309 
O       3.92126876       0.50232968     -10.38345318       0.78689043       0.19832619       0.18230028 
O       9.09464984       1.47902213      -5.15215876      -0.77323870       0.13560789       0.40634418 
O       9.20400728       0.56910403     -10.35153791      -0.18675742      -0.45706423       0.07756163 
O       3.99223853       6.42199086      -5.20599064      -0.03276135       0.50517754      -0.07012120 
O       4.07417463       5.60467901     -10.48818244      -1.39526872       0.53482566       0.33643070 
O       9.08242825       6.61258231      -5.12770804       0.14637876       0.37235816       0.28311680 
O       9.19295907       5.80551114     -10.39907101       0.31488161      -0.88591042       0.71026489 
O       3.93882909       1.80869583      -2.35090037       0.49912470       0.01528412      -0.89715782 
O       3.91674773       1.05426879      -7.91335269      -0.19707095      -0.58749861       1.04583917 
O       8.98118886       1.91084117      -2.46337151      -0.32006827      -0.32363597       0.01290878 
O       9.06650430       0.91758179      -7.75125474       0.39038435       0.44134412       0.07952735 
O       3.78341698       6.98126808      -2.54633726       0.30024534       0.30395964      -0.05241488 
O       3.89362216       6.20721525      -7.87452709       0.88475158      -0.30731438       0.08896607 
O       8.98865698       7.08684319      -2.42353313      -0.16062934      -0.18985656      -0.54425827 
O       9.10796885       6.09456212      -7.69299655       0.00656636       0.26454381      -0.48978915 
O       1.36544446       1.00016671     -10.45631033      -0.84446363      -0.08127917      -1.03860108 
O       1.13211179       1.74546052      -5.37182575      -0.10328878       0.74020657      -0.61183004 
O       6.49652457       2.84552423      -0.09774638      -0.34423206      -0.08102603      -0.12661375 
O       6.35523568       1.96889685      -5.29123880       0.56074924      -0.08782851      -0.51729367 
O       1.33670106       7.88487631      -0.06315367      -0.01314613       0.59890457      -0.86541354 
O       1.36232498       6.97858482      -5.49040276       0.70076924      -0.52154086       0.73140800 
O       6.47362613       7.99200020      -0.09770101       0.33483446       0.15574905       0.09652130 
O       6.44667183       7.04306660      -5.31901400      -0.08313127       0.91020604      -0.27421862 
O       3.55347102       4.63382485      -0.79471819      -0.66833951       1.28165914       0.11342500 
O       3.30147291       3.52358787      -6.24584908       0.56543676       0.76040754      -0.13017713 
O       8.72384400       4.67612390      -0.81289365       0.09329003      -0.04293144      -0.00270758 
O       8.54776830       3.83079274      -6.16325820       0.98525462      -1.50210228       0.72631517 
O       3.51852160       9.82889072      -0.88598560      -0.44594291      -0.62705680       1.37238544 
O       3.40914369       8.74732588      -6.05912001       0.00080962       1.03333020       0.11835032 
O       8.68105999       9.85241019      -0.74869140       0.01325913       0.30366476      -0.37086285 
O       8.76533193       8.99421559      -6.02668958      -0.59029375      -0.17682330       0.29619312 
O       1.02768621      -0.04181713      -1.86010586       0.39666115       0.45793090       0.02341102 
O       0.96438344      -0.96930419      -7.18863035       0.37951367       0.04499989       1.02243380 
O       5.98564062       0.07466530      -1.81450760       0.77860334      -0.01640629       0.22157307 
O       6.07009990      -0.81637038      -7.07173972       0.31508471       0.44448968       0.31544587 
O       0.86901019       5.17483916      -1.84749025      -0.25950478      -0.79526152       0.05176021 
O       0.86422297       4.23147227      -7.08403066       0.46875228       0.65217007       0.07939377 
O       6.20542934       5.20943833      -1.83103006      -0.99498709      -0.89573191      -0.19729489 
O       6.02980759       4.28559463      -7.10927438      -0.14975299      -0.30953792       0.82881348 
O       1.62231562      -0.49943148      -4.49530033       0.73717935      -0.70336416      -0.20762538 
O       1.64776904      -1.41391013      -9.74761304       0.36952062       0.15186076      -0.14427128 
O       6.78299321      -0.39677943      -4.46430481       0.51991230      -0.10436538       0.09767312 
O       6.96902552      -1.19354388      -9.58373283       0.62272375      -1.08877249      -0.78238705 
O       1.57276669       5.67731445      -4.66706208      -0.16632266       0.25381439      -1.08035693 
O       1.62613665       3.75069162      -9.78709146       0.46999283      -0.01448900       0.19186523 
O       6.85794724       4.71442643      -4.45185920       0.28127793      -0.22871249      -0.30374053 
O       6.98281573       3.85138504      -9.70725604      -0.59289104      -0.13914968       0.57885766 
O       4.24465266       4.21065687      -3.30991439       0.68982352       0.94994164      -0.52883785 
O       4.30388971       3.40201085      -8.66280222      -0.37890541      -0.47131045      -0.43713873 
O       9.49429913       4.13252636      -3.53786938      -0.07213044      -0.58455774       0.42357339 
O       9.43113352       3.32869270      -8.68370143       0.77098197       0.16561858       0.28080603 
O       4.16353158       9.42843663      -3.38805134       0.51760295      -0.50332574       0.00095559 
O       4.34654104       8.52652342      -8.68050894      -0.23221512      -0.22797631      -0.25831253 
O       9.50144464       9.35953083      -3.32246920      -0.39626383       0.79985359      -0.82817265 
O       9.53308278       8.40836228      -8.68289142       0.08748240       0.30341238       0.33568453 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013249209977487148 -0.002664584300242961 0.0021625887901609306 -0.002664584300242961 -0.01974634507786222 0.0012429986707742629 0.0021625887901609306 0.0012429986707742629 -0.02382931619669781" pbc="T T T" energy=-946.62627117 free_energy=-946.66024103 config_type=crystal 
Hf       2.85923078       2.16507581      -9.42067890       0.16011606      -0.13717534       0.36166800 
Hf       7.99693626       2.93069627      -4.14467309      -0.04113523       0.47160733      -0.63324967 
Hf       8.08062666       2.09283195      -9.47925684      -1.54603874      -0.36099621       1.12710757 
Hf       2.74929668       8.15627673      -4.12630946       1.84155461       1.12524286       0.59088501 
Hf       2.82672859       7.32913569      -9.41702071       0.37924117      -0.95365313      -1.14468610 
Hf       7.98443019       8.24358822      -4.14928128      -0.11520346      -0.40761227      -0.25441407 
Hf       8.04860710       7.26634903      -9.39791248      -0.52644377      -0.50751519      -1.20491768 
Hf       0.31988238       0.83369513      -3.67971549      -0.70113790       1.15153073      -0.99190082 
Hf       0.26649600      -0.07694504      -8.92540736       0.32599953      -0.42287281      -0.06937839 
Hf       5.33847154       0.79429365      -3.64283575      -0.68769941       0.36177301      -0.82785287 
Hf       5.49083607      -0.15824361      -8.97008620      -1.38006521       1.04667394      -0.28108731 
Hf      10.31914486       5.92832542      -3.51411748      -0.43815842      -0.73844087      -0.06433980 
Hf       0.20038764       4.99308792      -8.94637325      -0.01840426      -0.11052062      -0.90817045 
Hf       5.31103524       5.90888137      -3.65339871       0.55859681      -0.91090315      -0.71192335 
Hf       5.43921563       5.06426042      -8.92426249       0.39895647      -0.12969462      -1.33198067 
Hf       2.41389380       1.29035921      -1.11980486       0.01461400       0.23609376       0.29377758 
Hf       2.35166051       0.40001414      -6.32101426       0.72972844       0.64415972       0.73055387 
Hf       7.60050516       1.24799457      -1.11758451      -0.29813430      -0.93029829       0.08831206 
Hf       7.51777856       0.30100943      -6.30824471       0.24976925       1.26549385      -0.27829886 
Hf       2.33950251       6.38901320      -1.16574082       1.05238786      -0.09187725       1.72069297 
Hf       2.51349392       5.40595816      -6.54067999      -0.96279712      -1.22500151      -0.64402647 
Hf       7.52602804       6.36185045      -1.10803485       0.91973964      -0.26104901       1.37541851 
Hf       7.54707358       5.53281380      -6.33959547       0.19939032      -0.97519343       0.53115033 
Hf       4.91229582       3.43524527      -1.65048888       0.15934983       0.10419298       1.12778682 
Hf       4.97955833       2.58421596      -6.77035561      -0.00295902      -0.93900147       0.60387720 
Hf      10.19804992       3.42461654      -1.49303282       1.12352661      -0.79413266       0.18347052 
Hf      10.16365066       2.48147105      -6.78366867      -0.42240448       0.60662591       1.32203915 
Hf       5.07885381       8.52227265      -1.47375826      -1.39828364       1.11278604      -0.26901710 
Hf       4.89482496       7.74145091      -6.72384411       1.04412591       0.49883770       0.06520714 
Hf      10.29461327       8.68005823      -1.59115501      -1.81086919      -0.23305497       1.09349645 
Hf      10.08063647       7.69589673      -6.88787354       0.43353964       0.24705985       0.57861487 
O       1.23430211       2.31376077      -2.57974760       0.04127083      -0.05161854       0.55537534 
O       1.39937491       1.43997247      -7.97714143      -0.87447013       0.07457732       0.31753589 
O       6.56312875       2.35701784      -2.71774440      -0.40358762      -0.30124240      -0.18471568 
O       6.51446383       1.42622880      -8.05489532       0.15634248       0.22419219       0.35445084 
O       1.29224909       7.31987955      -2.80442358       0.22230295       2.08629155       0.12352775 
O       1.37331906       6.64146926      -8.08486032      -0.86825113      -0.61036887       0.41285027 
O       6.50709524       7.45085407      -2.64180312       0.57566668       0.46048039      -1.21276896 
O       6.55547059       6.68567855      -8.00690334      -0.49484469      -0.29818059       0.47924925 
O       4.07210291       1.33720673      -5.26326387      -0.61057968      -0.48664428      -0.26720722 
O       3.92659160       0.64574318     -10.39156635       0.56377069      -0.92244200      -0.09214240 
O       9.08913862       1.38025431      -5.05635751      -0.27399952       0.18571645      -0.27923111 
O       9.18683378       0.44968394     -10.29907825      -0.07133724       0.64555091      -0.81558037 
O       3.90777000       6.70733157      -5.08609380       0.25966313      -0.82334308      -0.72416793 
O       3.98530799       5.66135180     -10.37269869      -0.48065055       0.64731098      -0.07638046 
O       9.18119144       6.62453929      -5.14175772      -0.22406983       0.02816760       0.11573721 
O       9.02252768       5.56675670     -10.37668513       1.17086403       0.68170710       0.49238786 
O       3.85877550       1.79214358      -2.44615548       1.16930781      -0.42956442      -0.20999764 
O       3.86544087       0.99376139      -7.83000860      -0.11066614       0.19201259       0.56574693 
O       9.09286177       1.84898645      -2.47750015      -0.57726811       0.13157127       0.22525969 
O       8.95202143       0.98987198      -7.66501501       1.18458722      -0.27787334      -0.74143895 
O       3.83192916       6.99148161      -2.48620450       0.05838831       0.35371823       0.03173625 
O       3.86524096       6.14314849      -7.76150205       1.37615872       0.82401464      -0.85949462 
O       9.08208423       7.07942063      -2.45480555      -1.12524163      -0.03546747      -0.14018142 
O       9.00801878       6.14903701      -7.83231421       0.57863037      -0.48597769       0.76596422 
O       1.34705593       1.11794353     -10.49290099      -1.09955899      -0.54458387      -0.85656633 
O       1.14066726       1.82809765      -5.37825525       0.23762078      -0.31205765      -0.46571615 
O       6.50958341       2.69729239      -0.19204173      -0.26823893       0.70792871       0.72372102 
O       6.46143301       2.03940366      -5.31649942       0.38081907      -0.55380986      -0.58608858 
O       1.27465095       8.01904638      -0.17316630       0.01607762      -0.37882464      -0.21677613 
O       1.34927675       7.04523425      -5.46774355       0.20850819       1.52306983      -0.48498882 
O       6.48615132       7.90108647      -0.06041701       0.10103065       0.10787857      -0.15801676 
O       6.49347273       7.06642641      -5.39328632      -0.58968301       0.44698369       0.40363589 
O       3.52046791       4.71587036      -0.75905642       0.06644153       0.33544063      -0.34108295 
O       3.67083958       3.96577537      -6.13759634       0.19454374      -1.05768789       0.47685522 
O       8.76432657       4.66867252      -0.74711421      -0.12997086       0.03135446      -0.68874644 
O       8.79222763       3.82131381      -5.97643714      -0.54513371       0.04944294      -0.14184722 
O       3.65485723       9.88863797      -0.83722109      -0.67407182      -0.42927845       0.89259839 
O       3.52570514       9.02788687      -5.94841329      -0.36474085      -0.69881639      -0.32025015 
O       8.76367998       9.87313694      -0.74931755       0.95849668      -1.07842530      -0.11349380 
O       8.61731511       8.84882879      -6.12170108      -0.51965291       0.47233425       0.86227196 
O       1.10408667      -0.10216890      -1.97057968       0.23988385       0.15258395       0.84777325 
O       0.85493186      -0.93594064      -7.08019018       0.72804851       0.41888203       0.39450935 
O       6.19185276      -0.06297976      -1.83499529       0.02126587       0.30110899      -0.01431817 
O       6.04082223      -0.83652698      -7.04510951      -0.14985864      -0.56193976      -0.02860990 
O       0.94073627       5.15765410      -1.82145374      -1.00599498      -1.28942474      -0.31898426 
O       0.90359865       4.19618024      -7.13622970       0.71689154       0.82049422       0.17987640 
O       6.12189261       5.13212791      -1.84038335      -0.42641596      -0.44670480      -0.03540644 
O       6.12015983       4.32553169      -7.17602691       1.11739335      -0.19837021       1.37010322 
O       1.67933226      -0.42200247      -4.41739208       0.64794866      -0.96742869      -0.86785570 
O       1.72953650      -1.30772638      -9.70238429      -0.67691007       0.56900203      -0.41100306 
O       6.91718876      -0.33310532      -4.40531767       0.14187796      -0.70669910      -0.12280600 
O       6.83047333      -1.40923861      -9.70667053       0.46387066       0.00637673      -0.25667394 
O       1.47553379       5.73380522      -4.86433195      -0.65703403      -1.00904096       1.55546886 
O       1.74167975       3.92787398      -9.70178219      -0.13148333      -0.25265014      -0.07014472 
O       6.89837775       4.77890431      -4.41262366       0.11121443      -0.28056908      -0.42543047 
O       6.86202762       3.70677874      -9.78880390      -0.53150662       0.70568984       0.40296695 
O       4.26000235       4.20437592      -3.35211467       0.37687097       1.18928589      -0.55409727 
O       4.32407982       3.37581384      -8.58241605      -0.58983675       0.12130575      -0.88083923 
O       9.46666053       4.15722470      -3.35834823       0.28958728       0.28427233       0.26929420 
O       9.51147335       3.23052656      -8.65481821       0.29589440       0.71308091      -0.34106115 
O       4.36865699       9.27126108      -3.41772757      -0.38223775      -0.03583666       0.11301271 
O       4.23194388       8.45913276      -8.57397116       0.44503560       0.71458458      -0.15016776 
O       9.50750759       9.33611480      -3.42481547       0.18851031       0.35180496      -0.19613620 
O       9.43464107       8.51571559      -8.62527355       0.29844869       0.18359535      -0.43651386 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013835877750438836 -0.0020319238763916434 0.005046674395961827 -0.0020319238763916434 -0.02297094889677222 -0.0041388830007324 0.005046674395961827 -0.0041388830007324 -0.015224687779940422" pbc="T T T" energy=-946.33437328 free_energy=-946.3696138 config_type=crystal 
Hf       2.82625427       2.20463765      -9.43261187      -0.37615644      -0.24994327       0.41967930 
Hf       7.94553641       2.97726414      -4.15677722       0.20179265       0.49625999      -0.10652925 
Hf       8.09563607       2.05936081      -9.40024203       0.62305851      -0.80833104      -0.42904073 
Hf       2.79048215       8.19824020      -4.16970544       0.89348476      -0.40671217       0.77283282 
Hf       2.79035715       7.25185135      -9.39256884       0.19464818       0.52768042      -1.18948297 
Hf       7.88509814       8.22773209      -4.19619674       0.61719499       0.17418185      -0.07820730 
Hf       8.00268792       7.26003083      -9.42807362       1.20264276       0.10209734      -0.61719766 
Hf       0.23011137       0.78343713      -3.71741910       0.82405228       1.10797671      -0.39712558 
Hf       0.32057686      -0.11901865      -8.93364581      -1.25798065       0.77452460       0.15298340 
Hf       5.30863519       0.81687578      -3.61928241      -0.32762891       0.52229210      -1.56656152 
Hf       5.42759336      -0.15527438      -9.02136255       0.12237105       0.56115366       0.12338533 
Hf      10.31610590       5.97001328      -3.47156733       0.26868534      -0.31972498      -0.22984757 
Hf       0.18093764       5.04629213      -8.92050097      -0.27270671      -0.52999392      -0.60338989 
Hf       5.42713068       5.88879465      -3.71872001      -1.53707678       0.58423662       0.31197276 
Hf       5.47446284       5.06275348      -8.92877049      -0.38156023      -0.36585405      -0.51065238 
Hf       2.43645404       1.29291970      -1.13234770      -0.30370229      -0.46027268       0.21257076 
Hf       2.39568315       0.45443374      -6.30204086       0.31355824      -0.14157658       0.20503344 
Hf       7.59574297       1.20770155      -1.14609885       0.51836516       1.22458403       0.55633855 
Hf       7.52254854       0.42806232      -6.34635837       0.46134239      -0.80445577      -0.05405853 
Hf       2.30433583       6.42842748      -1.04297449       0.62936805       0.92087750      -1.12656037 
Hf       2.60213280       5.35156271      -6.50089779       0.43970724      -1.31029683      -0.04036356 
Hf       7.52691766       6.26877062      -1.00303720       1.82510568       0.58989508       0.18241175 
Hf       7.59429041       5.49565125      -6.33716626       0.33427949      -0.33263417      -0.39688622 
Hf       4.94737419       3.48357059      -1.57049028      -0.36247053      -0.40068923      -0.60294289 
Hf       4.95399935       2.48060277      -6.73109938      -0.64791908       0.64864968      -0.59873397 
Hf      10.30646662       3.37312608      -1.54991774      -0.98893615       0.27486546       0.66208111 
Hf      10.14973889       2.53960047      -6.73686095       1.07422038      -0.05235202       0.70789709 
Hf       5.00576827       8.51424378      -1.57492447      -1.19393862       1.16917381       0.80889250 
Hf       4.98639536       7.70605033      -6.75897991       0.37462901       0.84062162      -0.44347646 
Hf      10.20671740       8.66729032      -1.67760139      -0.30108095      -0.44604921       2.44765162 
Hf      10.12917816       7.76319149      -6.80034990      -1.40675176       0.35390956      -0.39109121 
O       1.22763434       2.32690389      -2.60961189       0.72165190      -1.56424827      -0.04626881 
O       1.36569362       1.57416755      -7.95521484       0.00215472      -0.81390970       0.11317015 
O       6.44154983       2.45428989      -2.86421286       0.03532602      -0.58164182       1.00100880 
O       6.55158867       1.39369320      -8.06822771      -0.01579869       0.29823245       0.56378644 
O       1.24507622       7.55739428      -2.78677451       0.16738395      -0.47090041       0.18767111 
O       1.42166593       6.44619079      -7.96421805       0.08965618       1.11219466      -0.38153955 
O       6.48390919       7.50992753      -2.72344559       0.25283979      -0.25262998      -0.53870892 
O       6.56794839       6.70103442      -8.05261239      -0.36894516      -0.77742977       0.52966461 
O       4.00163946       1.23475586      -5.23170174       0.52239028      -0.23795273      -0.01693192 
O       3.97058079       0.61291278     -10.40250754      -0.61410195       0.39378439       0.07337718 
O       9.04460072       1.45171953      -5.08984104       0.00851898      -0.47678839      -0.16090849 
O       9.14264022       0.45814023     -10.36573911       0.44257114      -0.38827399       0.07608049 
O       3.99174613       6.53202291      -5.20509053      -0.14401814       0.27379246       0.09489906 
O       3.89363567       5.75652898     -10.36977239       0.39413355      -0.43073632      -0.03152236 
O       9.10503057       6.58064279      -5.13561939       0.38483014       0.35741075       0.06690857 
O       9.05955599       5.60676486     -10.33782961       0.19384260       0.25437046       0.06613006 
O       3.98954453       1.75012821      -2.39055468      -0.34901063       0.27058773       0.54544116 
O       3.81611077       1.05344815      -7.82273012       0.65540893      -0.12038864      -0.21946565 
O       8.95425763       1.94112080      -2.60221098       0.49566356      -0.91620344       1.07165349 
O       9.14074077       0.90864746      -7.66557154      -0.75547451       0.18775281      -0.29492167 
O       3.77856014       7.10942770      -2.50637424       0.13649202      -0.63612647      -0.19793097 
O       3.98117141       6.21042159      -7.84128518      -0.41788161      -0.35695991       0.46674040 
O       8.98610523       7.05086817      -2.47426072      -1.04068282       0.02797943       0.30825173 
O       9.09009151       6.23488718      -7.81829026      -0.46750076      -1.19362889       0.99926224 
O       1.21796534       1.11475276     -10.47176268       1.20759591      -0.46776351      -0.74294427 
O       1.15549847       1.70474563      -5.34001643      -1.07698964       0.89273176      -0.46781675 
O       6.52521280       2.81481752      -0.24549633      -0.30384555      -0.17181857       0.56366314 
O       6.38732205       2.01173061      -5.40031383       1.13536001      -0.50713609       0.35807001 
O       1.21071437       7.99932302      -0.12705319      -0.12764042       0.03329965       0.36802888 
O       1.28958544       7.28192198      -5.44100297       0.70189004      -1.20992885       0.38981336 
O       6.41100403       7.86713504      -0.13805203       0.47026716      -0.22773747       0.49831174 
O       6.57505411       7.07745454      -5.43538747      -1.25580229       0.61421813       0.35300343 
O       3.55041918       4.85233993      -0.79417132       0.31026641      -1.32549712       0.52328438 
O       3.51911811       3.64213816      -6.07476914      -0.47211998       1.18504864      -0.21686590 
O       8.96117195       4.61653289      -0.67826975      -2.14851649       1.64752852      -0.29741002 
O       8.60341913       3.69879009      -5.99677678       0.36282388       1.06632681      -0.72750855 
O       3.50563753       9.83601172      -0.78639606       0.43557676      -0.11604108      -0.09339972 
O       3.51887944       8.93395692      -6.07058413      -0.04103093      -0.37804123       0.29070584 
O       8.66120507       9.78433956      -0.81913709       0.99800991      -0.32444195      -0.23941312 
O       8.55762370       8.92790669      -6.09154718       0.83874038      -0.36097012       0.03389778 
O       1.07226546      -0.10854116      -1.82943439      -0.63315498       1.06083546      -0.73486299 
O       0.96734166      -0.93227745      -7.01170095      -0.13401828       0.22313931      -0.59819282 
O       6.30240892      -0.09039943      -1.80112712      -2.15077959      -0.37040747      -1.09432385 
O       6.10556957      -0.91988234      -7.07739776      -0.09773612       0.82414135      -0.25260309 
O       1.01533661       5.15183723      -1.90702615      -0.53460426      -0.52181778      -0.27110580 
O       0.94072183       4.28712037      -6.98885199      -0.65445229      -1.00096748      -0.36309767 
O       6.09571957       5.14189996      -1.75539235       0.36358686       0.48178546      -0.56418825 
O       6.12924842       4.31040406      -7.07382136      -0.34093097      -0.06014320      -0.43355992 
O       1.72872450      -0.44398563      -4.40005142      -0.18280859      -0.03267434      -0.22721258 
O       1.63081654      -1.33780468      -9.75119931       0.92623578      -0.13285410      -0.13982069 
O       6.91027620      -0.28648822      -4.41195131       0.01815161      -0.66897948      -0.18658759 
O       6.91534521      -1.32483373      -9.73059590      -0.27172745       0.22215288       0.13310925 
O       1.38006932       5.81167647      -4.91905900       0.09164978       1.20035494       0.00027897 
O       1.59166082       3.86621911      -9.79016918       0.37465178      -0.54067804       0.78469197 
O       6.81151312       4.79588159      -4.49194424       1.82567074      -1.22499525      -0.11103016 
O       6.97614287       3.74340326      -9.65542956      -0.73751409       0.54815469       0.02676850 
O       4.37552892       4.25911097      -3.43507800      -0.26962144      -0.05550778       0.70657578 
O       4.17085372       3.50931194      -8.63281014       0.41405757      -0.33324476       0.13094298 
O       9.56777940       4.16324504      -3.39512716      -0.80119506       0.09812574      -0.59012458 
O       9.58847645       3.19514067      -8.61530598      -0.33005838       1.13270948       0.00795468 
O       4.23044799       9.37246704      -3.39848210       0.98665142       0.24573940       0.32939682 
O       4.24915540       8.54312165      -8.72665187      -0.10004910      -0.51876769       0.59537239 
O       9.56478585       9.27758630      -3.51468808      -0.51970476       0.61897429      -0.28856474 
O       9.57092475       8.43211901      -8.70002039      -0.18487685       0.34840519       0.08745225 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01714488697649582 -0.001189232151601747 0.0009997904657978143 -0.001189232151601747 -0.013305292751903824 -0.003181735062052405 0.0009997904657978143 -0.003181735062052405 -0.018002227947626785" pbc="T T T" energy=-946.92993719 free_energy=-946.96606398 config_type=crystal 
Hf       2.80879286       2.01835082      -9.38537930       0.30605557      -0.23357598       0.21201711 
Hf       8.01516863       2.92621230      -4.13649293      -0.15900425       0.32091491      -0.30599723 
Hf       7.99232422       2.15802455      -9.41156807       0.23383177       0.61023826      -0.38445535 
Hf       2.87975110       8.12073567      -4.11766748       0.53697263      -0.22239715       0.40895981 
Hf       2.81412184       7.30190976      -9.49330452       0.18409941      -0.11286657       0.55644209 
Hf       7.95471800       8.24287594      -4.12737800       0.57135264       0.00515943      -0.24644432 
Hf       8.01508229       7.24750945      -9.33678752      -1.35045167       0.12066304      -0.73545336 
Hf       0.35416453       0.92275560      -3.72123322      -0.51366931      -1.46808716      -0.42852541 
Hf       0.17520656      -0.08767656      -8.92806317       1.33471094      -0.92032853      -0.18569549 
Hf       5.34070255       0.88985159      -3.77426884       0.32784061      -0.71531497       0.68801883 
Hf       5.39013146      -0.03088298      -9.00032379      -0.19447111      -0.36692387       0.17231941 
Hf      10.28640327       5.96372682      -3.45410433       0.71096258      -1.06733608       0.36359155 
Hf       0.29727569       5.03138109      -9.00242401      -0.07682945      -0.73563192       0.46450891 
Hf       5.40740252       5.93495229      -3.74058034      -0.23757818      -0.74553693       0.56093249 
Hf       5.35394903       4.96356122      -9.00596523       0.95333461       1.28556411      -0.28664386 
Hf       2.36531886       1.27667879      -1.12929339       0.87311107       0.19938455       0.08994164 
Hf       2.40223267       0.29218298      -6.25041788       0.75953645       0.61342678      -0.99478110 
Hf       7.41727251       1.24765883      -1.08680068       1.75330419      -0.42904280      -0.21322913 
Hf       7.63968644       0.34566719      -6.34279447      -1.06693739       0.38458787       0.64792432 
Hf       2.36129335       6.31442501      -1.09440888       0.62228395      -0.32205939      -0.48369609 
Hf       2.58685668       5.37035810      -6.49963751       0.02907565       0.15771477      -0.50004702 
Hf       7.55323399       6.46058228      -1.09218926      -0.88474571      -0.28304098       0.56131518 
Hf       7.52799648       5.41473007      -6.33599650       0.83997543       0.62985856       0.54248970 
Hf       4.92698386       3.49086045      -1.60793169      -0.06087975      -0.40552893      -0.46815425 
Hf       4.98933498       2.59321769      -6.74834880       0.39260658      -1.54435324      -0.30689687 
Hf      10.13073691       3.29771564      -1.43341732       0.89052005       1.71413778      -1.26027085 
Hf      10.23705321       2.59175791      -6.80475815      -0.54206951      -0.26201366       0.95460762 
Hf       4.99193816       8.60199002      -1.49609080      -0.64442890      -0.06888784      -1.02481293 
Hf       5.02507655       7.74978280      -6.89458142       0.12989892       0.31954868       0.66222310 
Hf      10.20889614       8.69238247      -1.45877823      -0.16040620       0.72901215      -1.16208819 
Hf      10.14973505       7.69400265      -6.84181146      -0.27137097      -0.25441046       1.38970763 
O       1.25843596       2.34367811      -2.64503121      -0.18741421       0.25544840       0.87767091 
O       1.37368376       1.31059124      -7.99624809      -0.32959402       0.90263055       0.30113490 
O       6.54280752       2.35250827      -2.80729486      -0.59614898       0.12316678       0.75521948 
O       6.52840543       1.51956297      -8.07635106       0.14512056      -0.00906073       0.30629189 
O       1.31373570       7.43509605      -2.76517670       0.08513056       0.17170287       0.22403938 
O       1.37600298       6.60164436      -7.98938354      -0.68528847      -0.50590473      -0.87922319 
O       6.43544595       7.52842224      -2.76048798       1.25312231      -0.37682435      -0.17421719 
O       6.48327767       6.54165230      -8.00470904       0.30430936       0.50567394      -0.37797786 
O       4.21129712       1.28939524      -5.31918684      -1.97359625      -0.59375945      -0.30598536 
O       3.86799398       0.48970606     -10.38417320       0.74900492       0.26060379       0.24262465 
O       9.14120272       1.41612574      -5.01079726      -0.10528851      -0.11395611      -0.91764189 
O       9.17589052       0.58350556     -10.33627857      -1.03780290       0.02350282       0.18536039 
O       3.97935279       6.53482715      -5.11386197       0.51768473      -0.04173097      -0.65727585 
O       3.94719016       5.62812458     -10.43083308      -0.34961319       0.12422965       0.34351774 
O       9.17773905       6.53497091      -5.06695743       0.20563068       0.77674806       0.16538419 
O       9.06116171       5.73062931     -10.27866144       1.16829684      -0.36053094      -0.01935672 
O       4.01729306       1.73281020      -2.37084707      -0.39429607      -0.23781610      -0.10466808 
O       3.87080808       0.93124410      -7.77112541       0.12453376       0.86551643      -0.39846794 
O       8.93363009       1.89584000      -2.42714932       0.81731250      -0.42140487       0.03656880 
O       9.04673666       0.94198965      -7.75333522       0.32807611       0.43239940       0.19811195 
O       3.89502132       6.96568335      -2.42103441      -0.57474515       0.04052808      -0.94586421 
O       3.90162611       6.23447459      -7.89203272      -0.09944421      -0.63262925       0.68912812 
O       9.04330277       7.19648744      -2.41748437      -0.90201128      -0.75237005       0.15463780 
O       8.99341543       6.13262207      -7.62146856       0.71384688      -0.10764942      -1.33681420 
O       1.26911084       2.76875744      -0.02487358      -0.41520844       0.12606960      -0.40389129 
O       1.20268652       1.76979978      -5.46107631      -0.08125283       0.09885973       0.10081561 
O       6.46618533       2.85167327      -0.15708266      -0.38703575       0.13299432       0.19441019 
O       6.53685918       1.96670740      -5.40077082       0.47389379      -0.15524963      -0.09617307 
O       1.31840978       7.93048670      -0.17805779      -0.72725135      -0.54232782       0.83788909 
O       1.47089557       7.04073030      -5.48411018      -0.25365713      -0.75464383       0.70776630 
O       6.41072411       8.02704867      -0.17937950       1.00294188      -0.45426259       1.09274347 
O       6.62064693       7.16330772      -5.44436200      -1.33161069      -0.68599024       0.11713298 
O       3.42296600       4.56288054      -0.82335013       0.13508666       0.33551509       0.04534790 
O       3.64302549       3.81557942      -6.12284964      -0.78221057       0.53024675       0.40405318 
O       8.66535527       4.80899771      -0.80366280       0.87208335      -1.53018057      -0.11633597 
O       8.69229741       3.74338312      -6.01152978       0.70568555      -0.30392017      -0.53174388 
O       3.48769619       9.77422494      -0.80836286      -0.13038613       0.37844248      -0.41930519 
O       3.50834399       8.82741614      -6.07590005      -0.09160437      -0.12219009       0.32355277 
O       8.70937084       9.82512818      -0.76447199      -0.21910940       0.39477340       0.34311103 
O       8.63910346       8.91379352      -6.01378100       0.86946016      -0.36891910      -0.56887348 
O       0.96523108       0.02575565      -1.82447286      -0.45794810      -0.65148746      -0.33965709 
O       0.95398733      -0.97745405      -7.09419124      -0.25171704       0.01718766       0.33245167 
O       6.15631151      -0.01496129      -1.80036636      -0.99013392      -0.34015386      -0.56438374 
O       6.08743154      -0.80976632      -7.11129154       0.32159664      -0.06733801      -0.00290691 
O       0.89985181       5.06432371      -1.74936155      -0.66195884       0.31276928      -0.35085318 
O       0.96558373       4.24658753      -7.13140993       0.23805295       0.07438289       0.21933995 
O       6.05076803       5.20254819      -1.67617888       0.09820463       0.41230003      -0.95478588 
O       6.18702459       4.21866639      -7.13106057      -0.65591902      -0.12319098      -0.24092909 
O       1.80569072      -0.47641785      -4.42626697      -0.59591914       0.46457414       0.41735691 
O       1.63776038      -1.36995317      -9.74620554      -0.53122809       0.35865239      -0.01577912 
O       6.95918280      -0.35139875      -4.35507101      -0.31694095       0.46832380      -0.62055169 
O       6.83462872      -1.30340782      -9.72516972       0.34776685      -0.34371546       0.51994007 
O       1.47834364       5.63098361      -4.77265176      -0.22759277       0.95696073      -0.15877599 
O       1.81442615       3.72771004      -9.63462748      -1.70332208       2.12938164      -0.45364040 
O       6.89786354       4.71559054      -4.43785930       0.03088386       0.37901161       0.12058391 
O       6.94770962       3.91237814      -9.71267570      -0.19701947      -0.27764873       0.41270840 
O       4.47927082       4.11553469      -3.50491529       0.35652887       0.95278476       0.57684556 
O       4.20689049       3.42671052      -8.65105029      -0.07873278      -1.63044991       0.07083907 
O       9.53332799       4.09088073      -3.43362283       0.41568564       0.89775365       0.54036177 
O       9.58132139       3.28808818      -8.67365993      -0.32836203       0.11431580      -0.40209636 
O       4.39007503       9.28410045      -3.49053915      -0.05486179       0.31474462       0.37874187 
O       4.20703491       8.56511538      -8.74089844       0.90540048      -0.11863986       0.66035443 
O       9.58863075       9.33717763      -3.45871912       0.28026784       0.58033888       0.42842193 
O       9.48960760       8.39915473      -8.62976696       0.00460733       0.70795812      -0.24322491 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01550860069821336 -0.0022034861289120617 -0.0014706235001878266 -0.0022034861289120617 -0.025962423461921486 -0.002059705320348662 -0.0014706235001878266 -0.002059705320348662 -0.0192199266049857" pbc="T T T" energy=-946.90075844 free_energy=-946.93572727 config_type=crystal 
Hf       2.85429072       2.15475609      -9.42628054      -0.20864893       0.44418874       0.26360110 
Hf       7.99628926       2.97003414      -4.15387780      -0.10427122       0.40618814       0.12147500 
Hf       8.02819505       2.03035460      -9.39197230      -0.20692628       0.76199691      -0.56894844 
Hf       2.88906641       8.19954687      -4.16812479       0.03968690      -0.24942483       0.55906632 
Hf       2.78316603       7.31454620      -9.38017657       0.75830080      -1.27916594      -0.51020568 
Hf       7.86849933       8.20166024      -4.18788447       1.26540131      -0.54007623       0.24422485 
Hf       8.01452153       7.27337887      -9.36791157      -0.08789056      -0.48732916      -0.99255698 
Hf       0.24258700       0.88108626      -3.68199212       0.16283768      -1.54999088      -1.57201590 
Hf       0.26361301      -0.06193652      -8.97972080      -0.37353398      -0.36948499       0.08935982 
Hf       5.37987011       0.85849612      -3.72969155      -1.38377899       0.23963173      -0.78304991 
Hf       5.38979669      -0.09605779      -9.04637736       0.53423436      -0.03641093       0.77443263 
Hf      10.37380508       5.97104003      -3.46802705      -0.54121773       0.91442638       0.42292160 
Hf       0.18048680       4.98023395      -8.89585200      -0.49906026       0.60715037      -1.23751465 
Hf       5.36190353       5.89492304      -3.66565646       1.02873204       1.23073230      -0.44684938 
Hf       5.50029623       5.10130708      -8.90000141      -1.40628192      -0.97632357      -1.54329252 
Hf       2.36095826       1.19112877      -1.14199112       0.85467889       0.17111017      -0.20551686 
Hf       2.39466209       0.42276548      -6.31496519       0.27901316       0.06740044       0.36384588 
Hf       7.54571505       1.24716475      -1.15455927       0.52766587      -0.34670837       0.64700851 
Hf       7.52290752       0.36772774      -6.35348722       0.52543222       0.07355341      -0.23011732 
Hf       2.34432392       6.44449781      -1.03038040       0.89668261      -0.09400043      -0.51606338 
Hf       2.51072699       5.23732731      -6.54732413       0.22514128       1.33280030      -0.57188754 
Hf       7.60878435       6.27895977      -1.01080427      -0.45566574       0.70850745      -0.03433391 
Hf       7.59379095       5.41490430      -6.35819998       0.00938671       1.09069252       1.40433829 
Hf       4.94412712       3.48915386      -1.56672246      -0.40310172      -0.52019377      -0.33578104 
Hf       4.93268844       2.59001661      -6.79385550       0.86073796      -0.92321389       0.41698983 
Hf      10.30314754       3.36278199      -1.52765031      -1.32623054       0.69085724       0.67765581 
Hf      10.15767458       2.48653730      -6.78609305      -0.19795910      -0.34139605       1.04620860 
Hf       5.05960849       8.59569916      -1.50842122      -1.00031142      -0.37088769       0.16279249 
Hf       4.97643127       7.73656231      -6.83713544       0.70801844       0.05309724       1.54111945 
Hf      10.19050833       8.62865312      -1.56341582      -1.10750695      -0.57730429       0.51530826 
Hf      10.14592960       7.80337364      -6.84662188      -0.43057237      -0.77409082       1.07744492 
O       1.21995675       2.30092569      -2.61803756       0.75884255      -0.32854235       0.24491949 
O       1.40127674       1.42889608      -8.05692929      -0.58424476       0.49161375       0.71836781 
O       6.48990232       2.38562447      -2.79968750       0.67669109       0.10755823       0.65264795 
O       6.57842555       1.49263576      -8.01651411      -0.67744952      -0.36251275      -0.03315054 
O       1.30381661       7.49000938      -2.67732523      -0.05484615      -0.06422126      -0.44474798 
O       1.25637618       6.60893269      -8.00276559       0.71030600      -0.43595183      -0.20237031 
O       6.47398781       7.45632419      -2.62951334       0.75080706       0.51565820      -0.98159158 
O       6.52743549       6.60577970      -7.96524469       0.55365662       0.60525631       0.01689937 
O       4.07109848       1.17876326      -5.33845972       0.15540946       0.36878944       0.34674868 
O       3.81689960       0.63211249     -10.42642598       1.49084423      -1.13109193       0.05436177 
O       9.04009237       1.32554269      -5.02456300       0.43331704       0.86846494      -1.17119004 
O       9.10669541       0.52206140     -10.42536847       1.10400313      -0.53980412       0.41585692 
O       4.07206457       6.69305321      -5.16972435      -0.78811634      -0.85555260      -0.05971131 
O       3.97932027       5.71658171     -10.30502231      -0.86973339       0.13792111      -0.76573750 
O       9.14835312       6.57256242      -5.03508060      -0.02121259       0.48775615      -0.63367765 
O       9.12668021       5.61669946     -10.33803384      -0.04688437       0.42012464       0.33475047 
O       3.92129713       1.68372563      -2.45340803      -0.07407514       0.47203701       0.65018981 
O       3.89522891       1.09723016      -7.82467693      -0.04903947      -0.82595621      -0.59219106 
O       9.03559992       1.81757926      -2.53365119      -0.17116846       0.47116979       0.30359651 
O       9.06671376       0.91081734      -7.77475316       0.14458856       0.04875117       0.18306869 
O       3.79292669       7.07763853      -2.51974484       0.41035207      -0.13295550       0.42769142 
O       3.93993763       6.18697072      -7.83487184      -1.35312056      -0.43293350       1.13984862 
O       9.02016296       7.09026830      -2.42577007      -0.54555595      -0.39813268      -0.15996871 
O       9.00662762       6.17636340      -7.73894165       0.30464888      -0.54567663       0.21090457 
O       1.34190047       2.85607997      -0.02752812      -1.01715496      -0.58843059      -0.98455259 
O       1.20654246       1.84184820      -5.45400511      -0.83590695      -0.24229186       0.45527997 
O       6.50923710       2.79794277      -0.10709011      -1.03235931      -0.28205235      -0.34157483 
O       6.46054142       1.98526922      -5.41548865       0.17592922       0.14075821       0.35981199 
O       1.24333117       7.94541787      -0.12100318       0.11245966       0.40794654       0.50563366 
O       1.33580718       7.14512172      -5.42237073       0.64137393       0.14167123       0.22856396 
O       6.41210966       7.85538728      -0.07233811       0.90412973       0.94651634       0.03703483 
O       6.56673148       7.03700160      -5.36614514      -0.56606352       0.31903708      -0.32639897 
O       3.66965945       4.82839909      -0.70146396      -0.99060917      -0.13774711      -0.27145366 
O       3.54879559       3.75414938      -6.08274654      -0.49674844       0.01510905       0.50150109 
O       8.70928575       4.60192341      -0.84969810      -0.19769961       0.12465444       0.75642733 
O       8.64573371       3.71635105      -6.02689823       0.79184338      -0.48952562       0.08471480 
O       3.58337055       9.79693591      -0.69312093      -0.74785091       0.68955513      -0.55856668 
O       3.46114369       8.92598557      -6.08756274       0.11600305      -0.12056513      -0.10765748 
O       8.57583103       9.74692243      -0.83882653       0.68570083       0.07040619       0.29070113 
O       8.63780446       8.91091710      -6.11022499      -0.27916575       0.02720940       0.71116027 
O       0.93641225      -0.11239642      -1.92341662       0.95225035       1.48014377       0.55070178 
O       0.90402746      -0.81070259      -7.09482327      -0.17067040      -0.78133729      -0.08249487 
O       6.07036382       0.07643606      -1.81918456      -0.02183315      -0.53040052      -0.13636324 
O       6.13946967      -0.86749226      -7.16249229      -0.44349730       0.07410790       0.05084257 
O       0.92253777       5.12049802      -1.77653843       0.62590044       0.23105944       0.06883232 
O       0.81868002       4.22366710      -7.08863412       1.00862000      -0.01406334       0.58689502 
O       6.07465896       5.15032572      -1.73534337       0.69343744       0.26293619       0.10566352 
O       6.07637980       4.29609167      -7.02503008       0.11575860      -0.00040758      -0.23402774 
O       1.68079324      -0.49746438      -4.41261421      -0.20072657       0.81804853      -0.61587014 
O       1.62597342      -1.37751650      -9.76225852      -0.24979109       0.67142910      -0.09848875 
O       6.90456289      -0.32516638      -4.48421770      -0.29079496      -0.76245811       0.30494854 
O       6.88022954      -1.37564913      -9.71541247      -0.50336103       0.84924473      -0.10448904 
O       1.41350924       5.74712939      -4.90518678       0.51459829      -0.09981408       0.00261369 
O       1.68453406       3.86101027      -9.66800748      -0.19110843      -0.11110936      -0.04843188 
O       6.93673581       4.73163755      -4.37583381       0.13946692       0.02644449      -0.33857461 
O       6.93136870       3.83715762      -9.64061029       0.51603531      -0.95782076       0.16187590 
O       4.46460742       4.26581190      -3.35022593      -1.47798418      -1.36717743      -0.13023129 
O       4.19686053       3.47077312      -8.68656106       0.84904834      -0.00675331       0.96688267 
O       9.51745422       4.24318428      -3.31683186      -0.59089526      -1.61309497      -0.77795738 
O       9.44046140       3.23493786      -8.56929924       0.32516942       0.85016553      -1.03442332 
O       4.35179281       9.37169043      -3.46356882       0.20889557      -0.28657867       0.44691036 
O       4.33551070       8.46415758      -8.62910858      -0.73799152       0.85841243      -1.00981698 
O       9.45371277       9.34638744      -3.45389873       0.17870536       0.16532975       0.07400659 
O       9.46430651       8.46580121      -8.59425262       0.13333321       0.80998354      -1.50253083 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01109164354247454 -0.0022304255995295075 -0.003032355382625741 -0.0022304255995295075 -0.019501595744418444 -0.0050538741889498435 -0.003032355382625741 -0.0050538741889498435 -0.02111248206399992" pbc="T T T" energy=-946.21186721 free_energy=-946.244281 config_type=crystal 
Hf       2.79214761       2.13654158      -9.30157675      -0.42354601       0.02121257      -1.64554963 
Hf       8.05357137       2.95197893      -4.15897269      -1.45130911       0.63374852       0.78064163 
Hf       7.94110017       2.03696906      -9.50822280       1.00556025       0.69255203      -0.12331125 
Hf       2.87823567       8.14601030      -4.19051886      -0.51432254       0.48845914       0.57842697 
Hf       2.81685635       7.36475794      -9.38150332      -0.72301011      -1.10385107      -0.37848880 
Hf       8.01790014       8.18416529      -4.10832469      -0.01482899       0.68699471      -0.47284126 
Hf       8.02941342       7.43384068      -9.42199620      -0.67430645      -2.80847613      -0.16407498 
Hf       0.30836567       0.81617064      -3.70618599      -0.71538431      -0.58101045      -0.27049917 
Hf       0.23196791      -0.06735687      -8.99049818      -0.53820560      -0.20424806      -0.32827137 
Hf       5.33575947       0.85200004      -3.77801808       0.80117452       0.06884416       1.31268586 
Hf       5.45674281      -0.07425444      -8.96890383      -1.40352151      -0.47471129       0.41216638 
Hf      10.27137194       5.93382179      -3.44346576       1.91171955       0.17528963      -0.61485312 
Hf       0.10664921       5.05220767      -8.97449833       0.96184729      -0.30830206      -0.47596454 
Hf       5.30232796       5.88732011      -3.62823322       1.44467369      -0.39939111      -1.48897277 
Hf       5.45330352       5.05412507      -8.90363503      -0.76183976       0.12365521      -0.77342397 
Hf       2.44625739       1.27336867      -1.10074514      -0.55003789      -0.05695427      -0.54424710 
Hf       2.48484611       0.42223642      -6.26683901      -1.79780724      -0.40410726       0.26655109 
Hf       7.53345928       1.25490112      -1.15297410       0.33718369      -0.13569746       0.04264500 
Hf       7.62695074       0.37247442      -6.29567981      -0.49510920      -0.91057547       0.22460788 
Hf       2.44360090       6.43169063      -1.16618132      -1.22869436      -0.94180663       1.49100995 
Hf       2.48731984       5.23589036      -6.49411861       0.82386796      -0.07738037       0.07103929 
Hf       7.42169379       6.34839847      -1.07640541       1.63442891       0.33681050       1.42637252 
Hf       7.57518266       5.44721570      -6.33829833      -0.67969166       0.43132631       0.68863555 
Hf       4.90267566       3.46339329      -1.66189168      -0.60112434      -1.16719945       0.66096616 
Hf       5.02114996       2.46479656      -6.76350009      -0.17885908       1.05070482       0.92368526 
Hf      10.27115551       3.37285941      -1.55421973      -0.96962371       0.13081018       0.18437403 
Hf      10.08492319       2.49981297      -6.85088313       0.89752620       0.40698687       0.72088125 
Hf       4.96014760       8.62242702      -1.52413366       0.37071594       0.55048719       0.12506656 
Hf       5.03547755       7.72881172      -6.72580835      -0.37030333      -0.25088817      -0.32642804 
Hf      10.25612647       8.57367586      -1.53879500      -0.34124907       1.20907465       0.87812518 
Hf      10.22113009       7.76956525      -6.81849649      -0.63770097       0.07694287      -0.33114988 
O       1.30120033       2.18075275      -2.57853489      -0.60139443       1.11761412      -0.37321092 
O       1.28069373       1.40089360      -8.05346871       0.94547918       1.14817788       0.38524322 
O       6.50050509       2.47976997      -2.73770769       0.45210991      -0.76966213      -0.22479274 
O       6.51012381       1.47912282      -7.97234571       0.61619086      -0.13553367      -0.40245373 
O       1.31675357       7.53971443      -2.78631563      -0.19281398      -0.28760543       0.34652548 
O       1.23788229       6.70688372      -8.03259754       0.37692892      -1.07719740      -0.10043526 
O       6.58215608       7.43857774      -2.65561769      -0.66189899       0.51374647      -0.69036965 
O       6.50278940       6.66587832      -7.94824319       0.13485792      -0.34120831      -0.27275329 
O       4.13630724       1.24043761      -5.27445813      -1.14481057       0.11432200      -0.45181189 
O       3.77451364       0.52485098     -10.31729088       1.14225527       0.34400130       0.16082430 
O       8.96835435       1.39704684      -5.06248345       1.15988103      -0.20059532      -0.45407221 
O       9.11239470       0.47035697     -10.40033287      -0.31911486       0.72959353      -0.23153476 
O       3.96583564       6.53398993      -5.10190443       0.21762384       0.65813546      -0.65416782 
O       3.87972078       5.62327033     -10.45221616       0.98884174       0.76690461       0.75572569 
O       9.19017478       6.59734607      -5.06350683      -0.56615183       0.53286092      -0.55520265 
O       9.02406108       5.73598701     -10.31754762       1.05733609      -0.36062885      -0.00323303 
O       3.95294991       1.78618907      -2.49677103       0.08191010      -0.20201557       0.80824542 
O       3.84795744       1.00962078      -7.68527515       0.20667335       0.01096544      -1.64629919 
O       9.00516768       1.81305921      -2.48249727       0.50268488       0.76404565      -0.54257239 
O       9.08105601       0.95054738      -7.77493072      -1.10106992      -0.06839130       0.09369512 
O       3.81950507       7.06518739      -2.54008017       1.00116373       0.45003383      -0.20017759 
O       3.86368533       6.10447323      -7.73806590       0.14056944       0.71813174      -0.80517189 
O       9.08145354       7.00268833      -2.33239939      -1.50816706       0.88193139      -0.28048022 
O       9.00238568       6.12226722      -7.73987924       0.71063571       0.25205032       0.28280107 
O       1.20717024       2.85899297      -0.15092837       0.97376894      -0.20623700       1.15667357 
O       0.99776933       1.68201631      -5.49849588       0.71616763       0.36491870       0.11884934 
O       6.39134247       2.76812620      -0.11084901      -0.05937543       0.27895827      -0.03699766 
O       6.52346048       1.94376718      -5.31414446      -0.29449537      -0.12014982      -0.60762130 
O       1.32374488       7.96444797      -0.12180784      -0.81564561      -0.40548813      -0.00744610 
O       1.39984912       7.01653647      -5.37018261       0.07951521       0.15405991      -0.68502655 
O       6.43192738       8.08593830      -0.04757679      -0.63448462      -1.07462107      -0.29994203 
O       6.52638628       7.13606760      -5.38973901       0.26277792      -0.49374027       0.54469287 
O       3.55768709       4.72780531      -0.84396751      -0.72879725      -0.01143298       0.97671606 
O       3.64313054       3.74347757      -6.07662407      -0.70044463       0.24042583       0.00599967 
O       8.64292283       4.68877481      -0.87868024       0.10414268      -0.77230562       0.24513984 
O       8.73399896       3.78487777      -5.99190146      -0.02032345      -0.02913745      -0.53121249 
O       3.55305759       9.82868815      -0.74050902      -0.15039678       0.06227049       0.16559073 
O       3.53910259       8.95836048      -6.03060063      -0.03877947      -0.83903897       0.24879832 
O       8.68594093       9.81169229      -0.85184263       0.04894307       0.29258454       0.65179895 
O       8.83525332       9.02576309      -5.97617011      -0.23162432      -0.56787011       0.24189381 
O       1.03589122      -0.10633884      -1.89354204       0.22693823       0.09558453       0.33076279 
O       1.03986654      -0.90165904      -7.22727113      -0.18648546      -0.78525750       1.09189682 
O       6.14121815       0.01098529      -1.86278771      -0.51534520      -0.30897688       0.17862584 
O       6.11684304      -0.86250099      -7.03814363       0.14997642       0.39816023      -0.32958978 
O       0.91508367       5.15785499      -1.86731935       0.33958056      -0.45790790       0.68751060 
O       0.92287961       4.15214816      -7.09600983      -0.19002950       0.44538004      -0.48710210 
O       6.04003808       5.12570177      -1.79373020       0.28905353       0.51253918      -0.27882226 
O       6.07336963       4.26493604      -7.09269679       1.00035649       0.34501810      -0.10489880 
O       1.61469268      -0.50967489      -4.47523802       0.89940379      -0.48749752      -0.52865416 
O       1.53567386      -1.33627143      -9.76668746       1.31308938      -0.74011035      -0.71457137 
O       6.92155808      -0.46409822      -4.38525305      -0.51284220       0.49699852      -0.54011016 
O       6.95546224      -1.22462462      -9.63907353      -0.76236120       0.52766920      -0.54976772 
O       1.49419944       5.66649257      -4.73862188      -0.07478870      -0.01067646       0.06841295 
O       1.75451675       3.82438760      -9.68445444      -1.01163409       0.78346568      -0.12827690 
O       6.83658490       4.65075324      -4.45528208      -0.06772339       0.98377918      -0.06558486 
O       6.78867618       3.71896146      -9.75679958      -0.24215325       0.82546056       0.30415339 
O       4.14347363       4.35455477      -3.28996128      -0.09449516      -0.18397147      -0.48862488 
O       4.22879333       3.35660361      -8.64445161       0.70055475       0.14232513       0.26124154 
O       9.57499629       4.15182213      -3.44610803      -0.41304478      -1.25984634      -0.07931964 
O       9.47575100       3.26025767      -8.77267184      -0.21010480       0.31861458       0.22813231 
O       4.20316910       9.44897148      -3.42867139       0.64228949      -0.71152255       0.62680298 
O       4.25120634       8.53548378      -8.65069873       0.55669711       0.00904840       0.33433003 
O       9.49014468       9.42602090      -3.32415728      -0.45111504      -1.03071028      -0.50307948 
O       9.38766281       8.54394058      -8.60311322       1.29417543       0.42855976       0.75829788 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012219976528070931 -0.0006127147389716798 0.002263037160153773 -0.0006127147389716798 -0.024492235650278193 0.000492372213998543 0.002263037160153773 0.000492372213998543 -0.015660371562201243" pbc="T T T" energy=-946.52668075 free_energy=-946.56459144 config_type=crystal 
Hf       2.77701913       2.09213860      -9.41766786       0.08059796      -0.18682362      -0.13138661 
Hf       7.97444418       3.00856081      -4.17434565      -0.00304196      -0.89255451       0.71634948 
Hf       8.09586444       2.11827041      -9.39126193      -1.23269730       0.25464296       0.65678098 
Hf       2.89744805       8.12311369      -4.19644035       0.01777371       0.14029580       1.79358865 
Hf       2.92293441       7.29548049      -9.49469837      -1.28006544      -0.34430831       0.88112026 
Hf       7.94503892       8.19541572      -4.12607551       0.43122807       0.68165842       0.60514584 
Hf       7.98486149       7.33401853      -9.37694103       0.01659169      -0.37495958      -0.27461333 
Hf       0.27969095       0.83307280      -3.71111801      -0.12309484      -0.21824403       0.32777647 
Hf       0.21174943      -0.17245861      -8.90242463       0.31518384       1.28717260      -0.85883101 
Hf       5.31179758       0.84787080      -3.74061625       0.63804125       0.72921981      -0.17142619 
Hf       5.41010234      -0.07636991      -8.99386089      -0.34587253       0.68830479       0.68853951 
Hf      10.34268875       5.93432902      -3.56863599      -0.61333106       0.36471495       2.07542244 
Hf       0.18281329       5.02819222      -8.95313342       0.69385607       0.58265556       0.49860194 
Hf       5.41859568       5.84182625      -3.72960881      -0.14717237       1.08324787      -0.15708547 
Hf       5.42231873       5.07044551      -9.03723461       0.07182926       0.11178660      -0.09818313 
Hf       2.37520086       1.24282176      -1.13496014       0.32629610       0.01871592       1.16430980 
Hf       2.42322585       0.34514080      -6.23097290       0.13261322       0.90724183      -0.60925426 
Hf       7.49716910       1.29848895      -1.10033163       0.27744732      -0.14905078       0.52164770 
Hf       7.58234458       0.27753026      -6.33671799      -0.41636243       1.64673630      -0.19287934 
Hf       2.31832356       6.36882926      -1.10944435       0.16503936      -0.28191180      -0.22618550 
Hf       2.52301154       5.34623355      -6.49347954       0.59573598       1.01026516      -1.56167651 
Hf       7.55949019       6.38907057      -1.03093987      -0.51799802      -0.75437784      -0.11210967 
Hf       7.58684587       5.45620762      -6.30236774       0.52960320       0.33151138      -0.89387281 
Hf       4.94574031       3.45634968      -1.63582271      -0.32793803      -0.30055108       0.03957556 
Hf       4.94483303       2.60169577      -6.76479240       0.06063595      -0.01844655       0.32706759 
Hf      10.17379440       3.33887841      -1.48260154       0.43628351       0.33512009      -0.23952542 
Hf      10.19002508       2.52252467      -6.71675516       0.14877129      -0.35482243      -0.20076832 
Hf       5.02139319       8.62762192      -1.58800630      -0.47962488      -0.57964305      -0.37061334 
Hf       5.03619614       7.72665774      -6.81401106      -0.56565203      -0.94939563       0.23589109 
Hf      10.12565450       8.62863454      -1.48127153       0.93801863       0.36469415      -0.02957458 
Hf      10.16596614       7.80738746      -6.77623331      -1.44259393      -1.75414685      -0.04598859 
O       1.29555414       2.23058290      -2.53558151      -1.21231557       0.24957094      -0.62508776 
O       1.27740999       1.46791997      -8.02291957       0.56747109      -0.39469035       0.65688650 
O       6.46361383       2.38218263      -2.77389911       0.49667142       0.10472978       0.33027227 
O       6.53255728       1.45932997      -7.87064817       0.20247007       0.15642520      -1.07061121 
O       1.18686511       7.52176341      -2.72543881       0.53751037      -0.57683930      -0.06350219 
O       1.32621279       6.54883382      -7.97948201      -0.00795744       0.21341685      -0.39903029 
O       6.49546933       7.45419505      -2.75038211      -0.22079191       0.34029332       0.12192583 
O       6.46792965       6.74104591      -8.08914025       0.39249719      -0.62943415       0.32919860 
O       4.09528604       1.23592738      -5.29937528      -0.61480890      -0.16422170      -0.56535338 
O       3.91396303       0.47544676     -10.37054765      -0.50261379       0.51591919      -0.06717114 
O       9.00625804       1.46726796      -5.10426328       1.06869117      -0.22106859      -0.12072042 
O       9.07000718       0.58811359     -10.39456490       0.68049024      -0.57316841       0.44901604 
O       3.95623667       6.56456231      -5.18449636       1.39540231      -0.05442562      -0.23751142 
O       3.97731702       5.65742126     -10.46641358      -0.29539782       0.25040631      -0.34432410 
O       9.15279601       6.73448010      -5.09253413       0.95038264      -0.82211163       0.03362972 
O       9.17834127       5.74849861     -10.35687536      -0.84252649      -0.29674528       0.32093738 
O       3.96397911       1.73495558      -2.35523449       0.37067401      -0.15584623      -0.65512816 
O       3.87150964       1.07765591      -7.85396799      -0.41063898       0.04584920       0.66215722 
O       8.94205589       1.85363331      -2.43986710       1.08820498       0.49351420      -0.84844988 
O       9.10825988       0.99282238      -7.78159649      -0.53536200      -0.21410313       0.55157979 
O       3.79652828       6.98268512      -2.51398202       0.25383807       0.40440526      -0.45669784 
O       3.90375187       6.14851761      -7.96464741      -0.34851881      -0.10675971       1.58023324 
O       8.94680508       7.06705697      -2.39266529       0.73842578      -0.22331603      -1.20279341 
O       9.08471620       6.25706352      -7.75763006      -0.77549211      -0.92468251       0.53999308 
O       1.22726653       0.96215678     -10.49743104      -0.09090884       0.37211438      -0.88869656 
O       1.18843654       1.75114572      -5.38839903      -0.53366055       0.00639955       0.07872151 
O       6.38433079       2.81872467      -0.07785501       0.32830839       0.57744608      -0.53368909 
O       6.45272106       2.13331050      -5.33632190      -0.14473126      -0.75352542      -0.40442630 
O       1.27657440       7.87475647      -0.06965332       0.05358969       0.43851174      -0.40553374 
O       1.55786857       7.13774507      -5.49479337      -1.34085305      -0.41787982      -0.11532887 
O       6.45099045       7.96285308      -0.23017723       0.44551017       0.23447033       1.16700151 
O       6.55502370       7.07234783      -5.34222901      -0.51199497      -0.06194228      -0.66837931 
O       3.52298496       4.65838403      -0.81802529      -0.55770685       0.25994000       0.28082361 
O       3.51866208       3.83841593      -5.92287755       1.34113324      -1.36462618      -0.62597006 
O       8.68854983       4.69724086      -0.74205933       0.87484945      -0.26020956      -0.31070962 
O       8.82063397       3.85293236      -5.96912359      -0.63157317       0.46917122      -0.12554456 
O       3.51183389       9.78584608      -0.81871224       0.43615998      -0.02345618      -0.14167113 
O       3.46793032       8.86027181      -6.09401955      -0.13940687       0.25806071       0.43128998 
O       8.77712876       9.92606711      -0.61191277      -0.17887335       0.09630398      -1.05493678 
O       8.73631973       9.01258406      -5.86284066       0.90461614      -0.65172216      -1.54656483 
O       0.96969963      -0.11602876      -1.76007509       0.20091424       0.76293518      -0.30094185 
O       0.85798110      -0.91675494      -7.04921471       1.29923931       1.13186773      -0.02642944 
O       6.22111900       0.00969606      -1.90562285      -0.83897891      -0.98302925       0.00222857 
O       6.10076624      -0.93116868      -7.12505456       1.03763997       0.98328213       0.61372464 
O       0.94198435       5.03494796      -1.93950877       0.18233612       0.60740582       0.43611980 
O       0.99238476       4.15908241      -6.98893999      -0.17779481       0.41811949      -0.41179154 
O       6.23163294       5.06926611      -1.85506159      -0.59580850       0.41897952       0.05621470 
O       6.12576009       4.39399855      -7.18259997      -0.21876003      -0.67386008       1.22540206 
O       1.68682824      -0.47571016      -4.38427187       0.79762820      -0.33704282      -0.63636183 
O       1.71038594      -1.31979667      -9.67302476       0.05654553      -0.65845963       0.10423869 
O       6.97256882      -0.36270790      -4.51114992      -1.63108687       0.47058010       0.92884296 
O       6.85839371      -1.24593257      -9.73715194       0.14299761      -0.80567740       0.09588067 
O       1.61486910       5.83005972      -4.71425580      -0.26439070       0.03085026      -0.08855619 
O       1.57789181       3.75958897      -9.71316178       0.41315776      -0.10400708      -0.51438477 
O       7.01917532       4.77794116      -4.41462413      -0.15123909       0.37946268      -0.52074588 
O       6.98413426       3.87622242      -9.61062041      -0.37756450      -0.00095241      -0.59867270 
O       4.41044364       4.20577332      -3.55188945      -0.12698129      -0.47087685       1.24448686 
O       4.17216643       3.48374451      -8.72011190       0.28385856      -0.72141587       0.84019449 
O       9.59571849       4.11476592      -3.43635309      -0.29880354      -0.09850886       0.11864629 
O       9.45526321       3.36420449      -8.55798308      -0.00534179       0.06907114      -0.25998162 
O       4.34829232       9.33710181      -3.48280505       0.18261408      -0.11195989       0.20028369 
O       4.34271887       8.50142092      -8.58431403      -0.94843473      -0.02354060      -1.46536362 
O       9.59219815       9.39183853      -3.38818596      -1.40435900      -0.66336844       0.23631112 
O       9.29144556       8.58349651      -8.51853385       0.77188226       0.35426322       0.36059344 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01485699841763663 -0.008525633742664084 0.0006112853584837431 -0.008525633742664084 -0.02171394615197221 -0.004462283188497766 0.0006112853584837431 -0.004462283188497766 -0.018760426559583463" pbc="T T T" energy=-946.86113225 free_energy=-946.89394391 config_type=crystal 
Hf       2.79412925       2.13030156      -9.37658705      -0.27427262      -0.56795106      -0.60423955 
Hf       7.98424816       2.91732075      -4.13502736       0.00498232       0.40604736       0.54735228 
Hf       8.05032939       2.08109131      -9.44633771      -0.33861437       0.58526968       0.68686531 
Hf       2.90034113       8.08390267      -4.11072428      -0.66345326       0.76083551      -0.35561403 
Hf       2.81971150       7.32685286      -9.42729144      -0.51614196      -0.73238809      -0.04366800 
Hf       7.99636729       8.25432566      -4.12594373      -0.26594350      -0.44025420      -1.00923188 
Hf       7.96430492       7.24861111      -9.48863900       0.73462803      -1.23073725       0.59358386 
Hf       0.34493733       0.87355343      -3.69919827      -1.42792457      -0.22609242      -0.13967094 
Hf       0.24873286      -0.09583557      -8.96220583       0.25236125      -0.38940812       0.57469401 
Hf       5.34506668       0.86247670      -3.70582467       0.07441891      -0.68262539      -0.84485404 
Hf       5.42518499      -0.07694418      -9.00843203      -1.38315019      -0.39072085      -0.57002348 
Hf      10.29546922       5.88887405      -3.36800478       1.25330589       2.08223694      -1.64275646 
Hf       0.22179851       5.05748000      -8.95712228       0.39165927      -0.29587883      -0.06561738 
Hf       5.47107124       5.99378045      -3.75529387       0.64087149      -0.03784479       0.13931739 
Hf       5.45730909       4.95804333      -8.93439366      -0.99282706       0.16892173      -0.48448777 
Hf       2.37777599       1.38318822      -1.16338071       0.31909527      -0.85900249       0.14465237 
Hf       2.39592036       0.31657728      -6.26028612      -0.49058073       0.46281033       0.00992774 
Hf       7.54542932       1.13393054      -1.05626960       0.74659679       2.07209441      -1.57840888 
Hf       7.54770583       0.39558931      -6.33165912      -0.35734900      -0.36212844       0.61213739 
Hf       2.36708542       6.42252912      -1.09304107       0.20894118      -0.23809825       0.75202245 
Hf       2.53290258       5.36895837      -6.46839480      -0.20678570       0.25611941      -1.07251557 
Hf       7.55251332       6.38503936      -1.06267443      -0.31446917      -0.42505363       0.07206794 
Hf       7.56726317       5.43596850      -6.35838805       0.89413990       0.28642821       1.54295355 
Hf       4.90115390       3.46919248      -1.63924118       0.28648857       0.45026883       0.02690097 
Hf       4.94913337       2.43424308      -6.82079265      -0.41206410       0.39578954       1.90670442 
Hf      10.20574102       3.42825602      -1.47927926      -0.52082611      -1.00458323      -0.13379887 
Hf      10.19307224       2.56522616      -6.74331093       0.28221357      -0.31719925      -0.25399654 
Hf       4.97599425       8.64564216      -1.51342506      -0.49983086      -0.54944707      -0.25287729 
Hf       5.01185688       7.73746130      -6.88920848      -0.01255332       0.12951480       1.47312072 
Hf      10.21591229       8.69065814      -1.56150839       0.77639677      -0.92881088       0.12716823 
Hf      10.03984677       7.71086703      -6.85501721       0.72726716      -0.12750231       0.87772109 
O       1.21150860       2.35704730      -2.61139185       0.54633376       0.22977419       0.22114838 
O       1.29643264       1.48970955      -7.97544947       0.12412744      -0.92567577      -0.16050789 
O       6.48656121       2.37867792      -2.74917212       0.51327881      -0.01634378       0.24934711 
O       6.48521983       1.42857045      -8.00317133       0.44343723       0.59580718      -0.11463002 
O       1.29860588       7.44753190      -2.75814729      -0.41423212       0.77226362       0.71064501 
O       1.25492019       6.67694176      -7.97836821       0.84187001      -0.54029571      -0.42892146 
O       6.53033366       7.48114075      -2.76344967      -0.14208935       0.68042989       0.78961723 
O       6.50620625       6.57162453      -7.99362346       0.59794831      -0.20990316      -0.39686686 
O       4.07939658       1.11972250      -5.28960974      -0.40338314       0.63616568      -0.63679891 
O       3.82043739       0.45427678     -10.44618325       0.79017234       1.37589496       0.59702296 
O       9.11113009       1.38447591      -5.02923681      -0.95461417      -0.03683977      -0.25072556 
O       9.14919525       0.49760119     -10.36796986       0.07400769       0.05216218       0.56081392 
O       4.05207779       6.57598956      -5.12256748      -0.51721950       0.39941944      -1.03017771 
O       3.95581576       5.58738805     -10.39067023       0.19134319       0.82980448       0.24959641 
O       9.17835613       6.61233950      -5.02240964       0.02652477       0.46359294      -0.75751275 
O       9.19019733       5.62698597     -10.39477439      -0.79809149       0.53872034       0.22704781 
O       3.99804036       1.81001374      -2.51229069      -1.16358142      -0.00703885       0.86215689 
O       3.80737575       0.92727868      -7.81468888       0.16250749       0.10774617      -0.33949243 
O       9.02156814       1.89960900      -2.44609027      -0.26662522      -0.08503358      -0.16949692 
O       9.00356425       1.09046850      -7.68828210       0.24350412      -0.97110707      -0.74704353 
O       3.75644419       7.06950629      -2.47308129       1.36762139       0.16419672      -0.31506363 
O       3.90295244       6.16944060      -7.85798426      -0.33687707      -0.26867547       0.50871082 
O       8.95639262       7.09337512      -2.43745375       0.58119335      -0.05852754      -0.00201797 
O       9.09679294       6.07199198      -7.71400244      -1.13237129      -0.23488879      -0.15643234 
O       1.28208489       2.96220551      -0.08744572      -0.26599391      -1.11576287       0.33826251 
O       1.09333188       1.78908510      -5.38672387       1.12167735      -0.04792945      -0.52372584 
O       6.38641228       2.71828746      -0.13220426       0.48544123       0.35685570       0.08047607 
O       6.43710040       1.95612869      -5.28618980       0.43345016      -0.04010471      -0.66250682 
O       1.30147453       7.95341269      -0.07352268      -0.17538828       0.21050424      -0.46035247 
O       1.38066032       7.01470642      -5.35913936       0.43180192       0.68005330      -0.57989950 
O       6.44808387       7.90327436      -0.11371388       0.22937159       0.21840446       0.20826250 
O       6.54831469       7.12481410      -5.41179559      -0.22839499      -0.56187745      -0.67989831 
O       3.52082440       4.77195036      -0.74141481       0.57998282      -1.21199762      -0.10653508 
O       3.52253225       3.77579823      -6.14832301       0.96911597      -0.95926973       0.01748237 
O       8.72635316       4.69947703      -0.72011899       0.14107005      -0.10748115      -0.51689664 
O       8.74263340       3.67210827      -5.98717462      -1.00472987       1.53805528       0.21660642 
O       3.57845116       9.85850148      -0.70983461      -0.28153256      -0.07571713      -0.81742628 
O       3.54237315       8.89425092      -6.04418713      -0.41216338      -0.48410854       0.29647311 
O       8.73873537       9.74824405      -0.81100313      -1.03683321       0.69130782       0.58983179 
O       8.64382969       9.00619910      -6.03506475       0.66227064      -0.80017910      -0.51474248 
O       0.91717025       0.03735594      -1.77710283       0.63550337      -0.05620299      -0.07126248 
O       0.94812907      -1.05548101      -7.10243997      -0.02080121       1.31262730      -0.11689711 
O       6.21397037      -0.03944516      -1.84487624      -0.94992431      -0.69029665      -0.85270061 
O       6.01972796      -0.81908485      -7.17666913       1.10506132      -0.18195918       0.27591223 
O       0.98194584       5.08161454      -1.79797537      -0.58662449       0.22864212      -0.26244219 
O       0.94077534       4.25582520      -7.10892345       0.16023662       0.14808996       0.42511235 
O       6.17403974       5.13080856      -1.79002443      -0.36099611      -0.06735243      -0.21637455 
O       6.24553754       4.15118052      -7.02394768      -1.17790751      -0.03254427      -1.04489610 
O       1.70642059      -0.41824510      -4.41436371       0.91890123      -1.31083376      -0.02111028 
O       1.68353337      -1.26574071      -9.72024064      -0.28679053       0.31911246      -0.29940158 
O       6.74197939      -0.51774983      -4.58827755       0.16783838       0.90898548       0.68241478 
O       6.83838866      -1.41673040      -9.82261725      -0.36400771       0.04213320       1.36579079 
O       1.61777620       5.71167907      -4.69209600      -1.25245179      -0.45742257       1.29560443 
O       1.71216310       3.80537829      -9.64727124      -0.38909989       0.75008984      -0.20197419 
O       7.00519923       4.83191941      -4.35297057       0.21528429      -0.73887573      -1.01798315 
O       6.78519793       3.71965608      -9.76607401       0.48373963      -0.00359227       0.42488236 
O       4.40006633       4.40714183      -3.39889110      -0.62230304      -1.18322358       0.54219192 
O       4.27548161       3.25715539      -8.60373486       0.72352507       1.10279494      -0.26899515 
O       9.41309638       4.22512055      -3.35946938      -0.17200143      -1.46241422       0.38287605 
O       9.47474751       3.32340525      -8.70310694      -0.02477863       0.18898846       0.16834284 
O       4.31954456       9.34203745      -3.42546377      -0.01985258      -0.13693962       0.73932914 
O       4.25359092       8.51721827      -8.69409397       0.46947631       0.05517714       0.22299204 
O       9.49523364       9.40376862      -3.40820669       0.19454104       0.04073781       0.17243407 
O       9.44102331       8.38340279      -8.72677483       0.20336876       1.12479289       0.45735825 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018404265039940845 -0.0019245975505873519 -0.00018332263508709913 -0.0019245975505873519 -0.024997957047957445 0.0016224063353902111 -0.00018332263508709913 0.0016224063353902111 -0.02470875289656455" pbc="T T T" energy=-946.66689696 free_energy=-946.69973441 config_type=crystal 
Hf       2.75534352       2.16605216      -9.41705358       0.23845451       0.06635672       1.07117728 
Hf       7.96630817       2.88910826      -4.17677674       0.86790740       0.61166542       0.56040253 
Hf       8.09618478       2.14262062      -9.33485972      -0.31601487       0.38488053      -0.63654736 
Hf       2.85794052       8.08860542      -4.14316742      -0.35714075       0.72737103      -0.49425747 
Hf       2.81314245       7.27149925      -9.41304739       0.16741157      -0.35149273       0.29634724 
Hf       8.02680587       8.23783663      -4.09428772      -0.91739694      -0.22478604      -1.07540820 
Hf       7.99540505       7.25977026      -9.37608061      -0.63225767       0.44295308      -0.53076198 
Hf       0.31321170       0.82361075      -3.73966564      -0.17211532      -0.62159451       0.31459694 
Hf       0.25199250      -0.13024378      -8.91632751      -0.39817981      -0.03727055      -0.69061894 
Hf       5.21084921       0.81356028      -3.75022208       1.39144115       0.42714346       0.15716368 
Hf       5.41881367      -0.02783430      -9.05182065      -0.94224335      -0.36889195       1.32371167 
Hf      10.31154404       5.97270847      -3.50717239      -0.47438048      -0.45668549       1.21405971 
Hf       0.15103270       5.08193503      -8.91144348       0.89162267      -0.69151508      -0.14790984 
Hf       5.45642799       5.91786102      -3.72553101       0.09856868       0.86288451      -0.41989783 
Hf       5.39676245       5.08343528      -9.06621695       0.43991463      -1.51262317       0.86643348 
Hf       2.43578262       1.27914177      -1.05806761      -0.14091424       0.05721347      -0.55619346 
Hf       2.38076684       0.31414719      -6.30774362       0.21133207       0.60197128      -0.00860606 
Hf       7.50887543       1.39568476      -1.13868753       0.45015184      -1.77345470       0.94533254 
Hf       7.59625293       0.30255169      -6.35414623      -0.38548611       0.08123679       0.32212146 
Hf       2.32682968       6.40723487      -1.09798243       0.20067863      -1.10635631      -0.67988103 
Hf       2.57193081       5.35795904      -6.55045509      -1.20202420      -0.30473268       0.88377651 
Hf       7.57114551       6.35033083      -1.06876487      -0.04812794      -0.13255307       0.74361580 
Hf       7.52494007       5.35823448      -6.30783078       0.71607359       0.97222401      -0.73794155 
Hf       4.93651103       3.55958122      -1.66570433      -1.34297675      -0.79251537       0.67071757 
Hf       5.00432277       2.52717316      -6.72194623      -1.02323207      -0.25381344      -1.27864457 
Hf      10.23233799       3.32627805      -1.53639897      -0.09764975       0.71878565       0.71485946 
Hf      10.21296976       2.51599082      -6.70337427       0.77458495      -0.02551624      -0.00674170 
Hf       4.90311361       8.61603242      -1.56099670       2.28587918      -0.57773257      -0.16544802 
Hf       5.07719874       7.68045640      -6.78915890      -0.75813329       1.16963524      -0.53866196 
Hf      10.27505998       8.70239534      -1.50706832      -1.05970759       0.36894394       0.30389199 
Hf      10.12612913       7.72426702      -6.81841962      -0.17281918      -0.94474280       1.21714245 
O       1.24074045       2.22334068      -2.64024147       0.33638102       1.08310443       1.19399831 
O       1.29845501       1.40409247      -7.94272177       0.33999478       0.22527063      -0.28951774 
O       6.51671395       2.35650080      -2.79436433      -0.38963492       0.66178483       0.09404627 
O       6.58051005       1.45093449      -8.00073110      -0.21562478       0.03554170      -0.05376196 
O       1.18883646       7.52851245      -2.65840507       0.68319199      -0.65260809      -1.43681066 
O       1.31222184       6.66456513      -8.04432176       0.00454116      -0.76250503       0.11046017 
O       6.43381893       7.53700707      -2.78238537       0.48670336      -0.07506421       0.28791895 
O       6.50177510       6.59843041      -7.98176032       0.20032689      -0.18763142      -0.61955952 
O       3.98620540       1.15181276      -5.32411539       0.68996690       0.52206453       0.43818690 
O       3.78480366       0.54028887     -10.27451014       0.88634587      -0.33745919      -0.77515754 
O       9.14477709       1.37171616      -5.06609491      -0.81133816       0.40610874      -0.39829139 
O       9.09679606       0.51775878     -10.32955347       0.35972824      -0.11557709       0.20660967 
O       4.09539639       6.64686965      -5.24035328      -1.04593409      -1.19843092       0.98862097 
O       3.85828196       5.52859524     -10.40413786       1.06992537       1.05588623      -0.02730074 
O       9.19376556       6.65265992      -5.09383494       0.07680454      -0.24680413       0.17910010 
O       9.14528653       5.78174327     -10.29585562       0.23271269      -0.55017395      -0.66693656 
O       3.95883601       1.72453719      -2.38412034       0.12593976       0.39123459       0.13652652 
O       3.84465343       1.09154069      -7.82998959       0.11011067      -0.69444581       0.66001201 
O       8.99294018       1.91690369      -2.46625864       0.00622571      -0.46716865      -0.58995819 
O       9.08636721       1.04093211      -7.72213409      -0.16968881      -0.90694902       0.13578151 
O       3.80660926       7.09768103      -2.56602806      -0.21315445      -0.87529802       0.56504028 
O       3.87955245       6.12865610      -7.81624884       0.89928954       0.21101407      -0.99948447 
O       8.88406900       7.13274122      -2.49854416       1.23067945      -0.72101853       0.78620283 
O       9.05181928       6.07840604      -7.66538778      -0.35465998      -0.17547777      -0.19554890 
O       1.28200094       2.79264699      -0.02597173      -0.67206688      -0.15920250      -0.31412621 
O       1.19421167       1.73336325      -5.32865469       0.15200288       0.52986888      -1.26845669 
O       6.35098106       2.83448501      -0.18775308       0.32215099       0.03271362       0.54427455 
O       6.47765756       1.89915339      -5.31571513      -0.16820677       0.20451286      -0.63389028 
O       1.34095641       7.88835269      -0.21943030      -1.23643190       1.90604201       1.58663247 
O       1.39741789       7.16929655      -5.43361087       0.31626434      -1.11530266       0.35210878 
O       6.47301289       7.91814626      -0.12988510      -0.69137529       0.60030918      -0.21816340 
O       6.50305872       7.06924890      -5.44412395       1.01534109      -0.55796569       0.78316915 
O       3.38189712       4.67810505      -0.73400906       1.18967232      -0.65838016      -1.05867226 
O       3.52408965       3.76417393      -6.19480468       0.66779633      -0.45267248       0.19090844 
O       8.68051149       4.59302826      -0.75134584      -0.03863043       0.68517344      -0.27292853 
O       8.73574318       3.72730173      -6.05553217      -0.61947257       0.00370740       0.67497228 
O       3.55715666       9.71397039      -0.72285030      -0.95896736       1.53219148      -0.08394060 
O       3.46625021       8.83378619      -6.03154579       0.10187424       0.44376415      -0.10204999 
O       8.76308160       9.90912219      -0.75278389      -0.59010890       0.17700323       0.19774978 
O       8.66979930       8.89579593      -6.03264226       0.20163596       0.36953192      -0.05929340 
O       1.08269949      -0.03226120      -1.85894177      -0.41477533      -0.59304859       0.09514794 
O       0.89924065      -0.92605701      -7.12389687       0.14049466      -0.27314365       0.30262517 
O       6.09549119       0.12443518      -1.80502116      -0.59179577      -1.44528305       0.03374830 
O       6.12472459      -0.86503559      -7.12363813      -0.14579673       0.15348693       0.34369251 
O       0.84265594       5.13262097      -1.76778504      -0.00003999       0.06909472      -0.49777722 
O       0.90352914       4.24301821      -7.01714267       0.52051731       0.60517065      -0.20159031 
O       6.13332132       5.17432609      -1.74449988      -0.02133734       0.50714176      -0.42909776 
O       6.18292552       4.18802799      -7.20700312      -0.29783382       0.27220533       0.89205959 
O       1.61384275      -0.54510798      -4.46856826       0.91110320      -0.67073735      -0.16587472 
O       1.65030032      -1.41189951      -9.75393691      -0.55484683       0.64048265       0.16794753 
O       6.92908668      -0.43137451      -4.45393737      -1.00771569       0.89594978       0.11513722 
O       6.86818781      -1.29420535      -9.60524590       0.36476112      -0.12288807      -1.03147367 
O       1.52866893       5.76354549      -4.75693249       0.35310895       0.72879175      -0.34365130 
O       1.68681057       3.94113837      -9.70471248      -0.19328293      -0.71406907       0.84044033 
O       6.99267092       4.74238155      -4.40901514      -0.15384818      -0.24871181      -0.10589969 
O       6.98270622       3.89025820      -9.65318548       0.03463448      -0.28988306      -0.14418532 
O       4.39412651       4.34342681      -3.36780138      -0.62505468      -0.48984344      -0.50561553 
O       4.33763583       3.28841655      -8.72261167       0.34960377       0.88343355      -0.00289908 
O       9.51162526       4.15211388      -3.33763047      -0.17846028       0.39013052      -1.00277236 
O       9.61821618       3.27754632      -8.64889788      -0.51884370       0.22362491      -0.22552126 
O       4.30739799       9.33508315      -3.42862823      -0.29213298       0.13489754       0.00494296 
O       4.24047535       8.49915517      -8.61146476       0.18326570       0.14055739      -0.54172335 
O       9.51486184       9.39457573      -3.38447064       0.10712427       0.03695913       0.22347065 
O       9.44015489       8.36594341      -8.54503816       0.11059598       1.64895519      -1.47095419 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009674892180276657 0.002452938402033135 0.005320175590718494 0.002452938402033135 -0.023758409769450557 -0.0011920141794644267 0.005320175590718494 -0.0011920141794644267 -0.022006343846407476" pbc="T T T" energy=-946.26245787 free_energy=-946.2975092 config_type=crystal 
Hf       2.84519484       2.17650485      -9.35480180      -0.71500490       0.17767348      -0.66110721 
Hf       8.01999306       2.90294427      -4.13737529      -0.02568553       1.33652199      -0.36491773 
Hf       7.94935443       2.02242720      -9.49256318       1.11843052       0.95916331       0.29377453 
Hf       2.90116726       8.13611865      -4.16168635      -0.90831931      -0.10246336       0.77096074 
Hf       2.81590762       7.24430140      -9.35579579       0.09075290       1.81661359      -0.86069597 
Hf       7.99518020       8.17015565      -4.15321984      -0.43015661       0.34401229       0.72469468 
Hf       7.99039214       7.29829509      -9.43041767       0.92468972       0.05396888      -0.27046267 
Hf       0.31644173       0.73292511      -3.66865480       0.41542304       1.35803197      -0.52524005 
Hf       0.24986114      -0.08591960      -9.03250283       0.10944705       0.35268486       1.11740917 
Hf       5.36992702       0.86849519      -3.78562722      -0.86904310      -0.53782210       0.25822844 
Hf       5.42777997      -0.03352824      -8.97499186      -0.27097623      -1.08826104      -0.46703629 
Hf      10.32012861       5.97595541      -3.45057361       0.35982957      -0.24475467       0.06255006 
Hf       0.18874272       4.99357062      -9.00202173      -0.30037412      -0.77401674       0.87015822 
Hf       5.31306301       5.84767733      -3.75326358       1.16441562      -0.14462032       0.58938924 
Hf       5.41003054       5.13114523      -8.90436713       0.39524681      -1.11410836      -0.50823770 
Hf       2.48678494       1.29282402      -1.07195610      -0.83133520      -0.34586998      -0.95404681 
Hf       2.40270574       0.31030230      -6.28299227      -0.40303400       1.67933329       0.14630198 
Hf       7.59712384       1.21209688      -1.13878403      -0.20438803       0.22872703      -0.85117402 
Hf       7.60248285       0.34014313      -6.25209504      -0.06587735       0.66373053      -0.80283257 
Hf       2.41282236       6.49478098      -1.05470186      -0.79056562      -1.97301555      -0.85018491 
Hf       2.50020256       5.34117060      -6.52467290       0.29585405      -0.97346452       0.05948727 
Hf       7.41717225       6.33694144      -0.98704501       1.37681442      -0.97421780      -2.05718817 
Hf       7.54707296       5.47923794      -6.37886062       1.08511488      -0.69708721       1.25313402 
Hf       4.78144034       3.47019877      -1.69549901       1.63508899       0.70194179       0.66630996 
Hf       4.97771416       2.56180817      -6.80474639      -0.44451873      -0.51922211       1.16544905 
Hf      10.28967518       3.42778117      -1.52447063      -0.72618826      -0.45119215      -0.40188706 
Hf      10.12471781       2.51382275      -6.79849550       0.99553550       0.14020926       0.37007966 
Hf       5.01096175       8.62903047      -1.52876515      -0.01791240       0.77970185      -0.92471590 
Hf       5.00881637       7.74490886      -6.74955847       0.21892569       0.58131411       0.16780222 
Hf      10.20136962       8.58817545      -1.47831688       0.39744946       0.93543079      -1.03006886 
Hf      10.16530844       7.79354995      -6.79924009      -0.90639433      -0.45552614       0.29994688 
O       1.26488968       2.30779189      -2.62811151       0.12095565      -0.19957600       0.75276672 
O       1.33487653       1.51544892      -7.91237057       0.05200840      -0.61343623      -0.81028025 
O       6.54035904       2.27903336      -2.77421770       0.18934413       1.06541887      -0.50383785 
O       6.46562009       1.51091329      -8.03629312       0.61444943      -0.28188386      -0.32386754 
O       1.25648923       7.47700538      -2.77451413       0.19581310       0.45184213       0.56128006 
O       1.43221821       6.42777027      -8.07022838      -0.40184596       0.87176519      -0.13891692 
O       6.44724195       7.60519520      -2.74722227      -0.12401480      -0.97354399      -0.00421671 
O       6.59302724       6.63563753      -8.05289213      -0.60677807      -0.04367019       0.87131829 
O       4.00609752       1.21411189      -5.30099583       0.61496251       0.26034707      -0.29364694 
O       3.99902484       0.70053170     -10.47130034      -0.24249399      -0.72570462       1.15732682 
O       9.21501143       1.41526203      -5.14397555      -1.22609138      -0.27267267      -0.05845345 
O       9.24395048       0.61133765     -10.42078202      -0.41601691      -0.80238041      -0.28560771 
O       4.01055225       6.52629616      -5.23106498      -0.45788755       0.22022456       0.58540661 
O       3.86004322       5.74261475     -10.33636236       1.27335068      -0.08249168      -0.01900888 
O       9.26579099       6.67547649      -5.08005460      -0.55919739       0.19400276      -0.51320624 
O       9.11992018       5.73999362     -10.43117309       0.33303663      -0.68105552       0.76568212 
O       4.07626993       1.71341046      -2.41543350      -1.22683202       0.05674258       0.05587861 
O       3.83626711       1.06023255      -7.89029004       0.61248078      -0.67690343       0.45859648 
O       9.02391936       1.84875107      -2.58410681       0.43328418       0.06983368       0.57843512 
O       9.12011832       0.91348032      -7.85419701      -1.30770686      -0.14744234       0.99659545 
O       3.75245909       7.05759670      -2.48955104       1.26805968       0.08990755      -0.30185719 
O       3.94999574       6.22129356      -7.75189632       0.02736398      -0.33120534      -0.52604919 
O       8.92866789       7.10089737      -2.56573110      -0.43735766      -0.15487421       1.82964908 
O       9.09270862       6.21925403      -7.63985970      -0.30124437      -1.03900582      -0.88283169 
O       1.33190781       2.84284471      -0.04078522       0.27279104       0.28224018      -0.06199296 
O       1.23489633       1.76716034      -5.33670244      -0.36643306      -0.20719707      -0.59851647 
O       6.59232195       2.81139826      -0.26980791      -0.91350149      -0.01472638       1.32028722 
O       6.47568278       2.00265911      -5.39735613       0.33824475      -0.58273770       0.27637355 
O       1.34373550       7.94268176      -0.12547590      -1.14856457       0.91303862       0.28825169 
O       1.44775087       7.01337308      -5.53740118       0.31445963       0.69735668       0.02018074 
O       6.50934692       7.91789630      -0.09751095      -1.44908831       0.86951008       0.27015246 
O       6.47536255       7.05047923      -5.36873133       0.55357308       0.08901102      -0.25226824 
O       3.51545023       4.81552451      -0.67168231       0.42490902      -0.47690950      -0.32908047 
O       3.62608879       3.79818334      -6.08173974      -0.49563732       0.27557745       0.25984369 
O       8.63374757       4.66487255      -0.81929250       0.25716061       0.33023766      -0.08357814 
O       8.57439426       3.68059391      -6.10440914       0.23689273       0.52324356       0.45097695 
O       3.62995440       9.92428446      -0.79605470      -0.30118606      -0.81007122       1.05191904 
O       3.54763406       8.87174852      -5.94805952       0.26700762       0.22918563      -0.81622588 
O       8.84987787       9.87781884      -0.75780265      -0.62038574       0.36230250       0.34648655 
O       8.66447781       8.93954851      -5.95843757       0.93185479      -0.09141729      -0.62542978 
O       1.09524287      -0.03262935      -1.87871196      -0.18446075      -0.60281363       0.46332961 
O       1.01958697      -0.96241974      -7.16142428      -0.26060624      -0.21120053      -0.29767622 
O       6.14971907       0.02292153      -1.84735259      -0.15100698      -0.88621849      -0.10784574 
O       6.19258974      -0.83459471      -7.07088036      -0.66713526      -0.23543259      -0.72578487 
O       0.87862361       5.15487668      -1.76831742       0.51940322       0.64801338       0.16396531 
O       0.85081980       4.25657659      -7.05195956       0.08455121      -0.30977197      -0.14510063 
O       6.03353562       5.14104750      -1.87131083       0.14067434       0.44864381       0.22696270 
O       6.11268806       4.29215193      -7.07759244       0.05759565       0.60816769      -0.34623732 
O       1.60651448      -0.57707862      -4.53769403       0.58514749      -0.59483141       0.04190770 
O       1.63761201      -1.30510133      -9.78392207       0.99471023      -1.17677674       0.10220219 
O       6.83297542      -0.39054095      -4.42550641       1.09677282      -0.31510010      -0.58226292 
O       6.83763016      -1.36126601      -9.82814549      -0.23573157       0.41992364       1.00080787 
O       1.48427982       5.73622588      -4.79028728       0.06706958      -0.34297541       0.27879095 
O       1.66951728       3.82704052      -9.69654439      -0.44464853       0.37197708       0.37573104 
O       6.96255050       4.75378652      -4.37725171      -0.47056526       0.03474199      -0.41409108 
O       6.88396018       3.81692366      -9.67898962      -0.81101443       0.09224697       0.36742189 
O       4.04763490       4.31684571      -3.31520311       0.53957764       0.60686743      -0.62080024 
O       4.22262555       3.50665653      -8.53086374      -0.30509538      -0.25855513      -0.86357756 
O       9.52588064       4.20681820      -3.43670696      -0.29711623      -1.17651765       0.13377014 
O       9.40438921       3.28392131      -8.62631395       0.35454667       0.78586724      -0.72717662 
O       4.28528900       9.34402834      -3.43589957       0.37072649       0.26347770       0.54380248 
O       4.25417090       8.52917983      -8.55661663       0.12335713       0.53791478      -0.69262219 
O       9.56461234       9.36630944      -3.30280066      -1.23482291      -0.40269924      -0.80217512 
O       9.46250992       8.40979418      -8.63732140       0.63435038       1.28124811      -0.09810833 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015354147077565447 0.0016216856345729546 0.003545706831724604 0.0016216856345729546 -0.010978073629121827 -0.0009693118535361916 0.003545706831724604 -0.0009693118535361916 -0.014625412757739325" pbc="T T T" energy=-946.67095408 free_energy=-946.70753551 config_type=crystal 
Hf       2.80384116       2.02487336      -9.42530073      -0.26856624       0.84279938      -0.05733658 
Hf       8.06765739       2.96694392      -4.11914271      -1.57252019       0.05104799       0.06515006 
Hf       8.08860225       2.13020017      -9.32938304      -0.25324951       0.15610391      -0.70504112 
Hf       2.83025890       8.15047668      -4.13356484       0.41629193       0.58414869       0.75343159 
Hf       2.79963184       7.26039494      -9.51012761       0.47569982       0.69971839       0.33422263 
Hf       7.94027715       8.34393706      -4.26232480       0.19466574      -0.75481505       1.16849632 
Hf       7.96097951       7.24634136      -9.45616710       0.42054878      -0.43247086       1.04541628 
Hf       0.23038941       0.88162275      -3.77366370       0.80630544      -1.55506620       0.72942544 
Hf       0.17201996      -0.14229161      -8.85755311       1.54593502       0.12724070      -0.98579289 
Hf       5.29591933       0.89553541      -3.77477130      -0.36428034       0.09190599       1.22690616 
Hf       5.41651720      -0.07690388      -9.06229814      -0.66424419       0.11989909       1.63990047 
Hf      10.33852899       5.95476033      -3.42662766      -0.71781335       0.06714813       0.54681884 
Hf       0.29047846       5.05977259      -8.92384456      -0.79272163      -0.79369988      -0.22712401 
Hf       5.44581804       5.95627054      -3.72137131       0.16518747      -0.26656085       0.01900949 
Hf       5.45426213       4.91621672      -8.99561270      -0.04653795       0.97805210       0.53146410 
Hf       2.32083635       1.25191845      -1.18990771       0.79781044       0.54095181       0.48938265 
Hf       2.47014167       0.39328700      -6.25349130      -1.03119397      -0.46833074      -0.78992310 
Hf       7.47507466       1.29361423      -1.01593370       0.44958433      -0.61886261      -0.88442596 
Hf       7.51963209       0.43962877      -6.39168939      -0.11327149       0.16160049       0.17189677 
Hf       2.39822285       6.34916965      -1.12994181      -0.71536224      -0.41798754       1.01224612 
Hf       2.60492364       5.45433807      -6.46062605      -0.62034409      -0.74051275      -0.77098098 
Hf       7.64249348       6.32298985      -1.08080526       0.09423528       0.50805471       0.97354505 
Hf       7.58833978       5.41052270      -6.33047592      -0.10438724       0.46713681      -0.59579001 
Hf       5.03714031       3.43753068      -1.62068171      -2.17095786       0.69662867       0.06272473 
Hf       4.91247142       2.54465258      -6.73690022       0.23558059       0.36586047       0.30318315 
Hf      10.18552681       3.28301579      -1.47949861       0.37907747       0.63498299       0.51491920 
Hf      10.22379551       2.53222855      -6.69667090       0.61190653       0.63133156      -1.27168880 
Hf       4.98467264       8.53583663      -1.52818059       0.47584078       1.35306393      -0.49367849 
Hf       4.96354918       7.72502632      -6.81051174       0.58044684       0.41696676      -1.05523954 
Hf      10.12916798       8.64655277      -1.48137759       0.60360415       1.09968918      -0.70230290 
Hf      10.11106985       7.71198092      -6.76381375      -0.71305477       0.10542238      -1.27973468 
O       1.12554595       2.34944966      -2.67901688       0.67619593      -0.44095110       0.22813862 
O       1.29283220       1.46395908      -7.96247631       0.54254256       0.01112164      -0.07025036 
O       6.47607824       2.47579049      -2.68299429       0.80854697      -0.57605006      -0.78948550 
O       6.53762141       1.56841480      -7.95592216      -0.03895078      -0.95296367       0.06523528 
O       1.30487590       7.49129328      -2.71811633      -0.43656594       0.27929857       0.17845639 
O       1.43502068       6.55121556      -8.03365138      -0.39736410       0.49266855       0.44503185 
O       6.49896598       7.61218480      -2.77287867      -0.06021066      -0.44980894      -0.18511071 
O       6.51204705       6.53743601      -7.99232769       0.12927540       0.09140532      -0.27834729 
O       3.93906027       1.29821488      -5.22811925       1.13225886       0.01870924      -0.28154831 
O       3.84422909       0.46099513     -10.38872762       0.84473763       0.27376247      -0.36827339 
O       9.15223472       1.37949774      -5.14966266      -0.97265083       0.48343879       0.25929831 
O       9.20661223       0.49627216     -10.35369631      -0.95930549      -0.19308030       0.25144870 
O       3.97197174       6.58176163      -5.16181562      -0.50397939      -0.54710314      -0.05936425 
O       4.02639319       5.67375543     -10.43180638      -0.17673052      -0.03531318       0.08813680 
O       9.16789030       6.57808981      -5.17109604      -0.02131142       0.58850521       0.20857054 
O       9.15988531       5.74431590     -10.38885552       0.26117130      -0.51275604      -0.14884841 
O       3.87171495       1.79520492      -2.47973152       0.46024442       0.11118683       0.46270016 
O       3.87667694       1.02368793      -7.85211926      -0.20912900      -0.59712302       0.76271388 
O       8.85374773       1.74097961      -2.45372346       1.54953388       1.16525460      -1.18895293 
O       9.05772741       1.09922041      -7.78549399      -0.06295505      -1.41450251       0.96346765 
O       3.81934620       7.00347649      -2.44859046       0.86382220       0.10109992      -1.33788175 
O       3.92800385       6.14387320      -7.92259908      -0.07249627       0.15497791       1.07084341 
O       8.95668168       7.15222401      -2.58635446      -0.17478088      -0.47920034       1.26367515 
O       9.04193281       6.15285116      -7.76689525       0.22252550      -0.12098808       0.24044380 
O       1.28059503       2.87000370      -0.07177486      -0.00516316      -0.52019351      -0.19455460 
O       1.19008247       1.73535784      -5.40395029      -0.12743687       0.66580734      -0.07889999 
O       6.43251381       2.87781340      -0.04825040       0.12238069      -0.16743257      -0.26093113 
O       6.47897412       2.01671917      -5.27900593      -0.43867129      -0.07516832      -0.56111133 
O       1.27013823       7.96163226      -0.08778699       0.03427081      -0.07636970      -0.60663388 
O       1.37668593       7.16805775      -5.47385951       0.14089897       0.15521951       0.11843227 
O       6.57485617       7.99077555      -0.17618344      -0.70416161      -0.80051515      -0.01878966 
O       6.38099966       7.11555159      -5.42297252       1.12530886      -0.38414849       0.48592699 
O       3.54225064       4.67818311      -0.74371422       0.32816454      -0.10502810      -0.30874790 
O       3.47738860       3.80125733      -6.08407140       0.48737543      -0.15699735      -0.32761568 
O       8.82614155       4.61239991      -0.67057838      -0.81852266       1.31679267      -1.01268594 
O       8.65220957       3.65521310      -6.02544243       0.09909296       0.73959190       0.33395212 
O       3.37648097       9.72859465      -0.93713962       0.26758178      -0.01330424       0.31268616 
O       3.48997728       8.84932794      -6.01312661      -0.06700524       0.45680253      -0.28656500 
O       8.64767878       9.88258715      -0.75346475       0.60214489      -0.57187010      -0.53343817 
O       8.53898860       8.91104754      -6.12668319       0.98884304       0.15207588      -0.20504542 
O       0.86375447       0.05452742      -1.85536390      -0.32681206      -0.89625625       0.36226204 
O       0.95625573      -0.92693594      -7.06580721      -0.71182276      -0.51768587       0.32943480 
O       6.02542725       0.11285077      -1.75555616      -0.45822201      -0.50427699      -0.34778002 
O       6.14846787      -0.85631493      -7.14347006      -0.61106783       0.11664483       0.06798967 
O       0.96435601       5.10796185      -1.89483539      -0.06834701      -0.28750464       0.53123399 
O       0.87150698       4.30671129      -6.98985459       0.49915378       0.03049343      -0.09499211 
O       6.21103054       5.20239941      -1.76539815      -0.74605979      -0.22539363      -0.41497756 
O       6.18755377       4.14668456      -7.12002372      -0.25938025       0.85315960       0.52378301 
O       1.68077080      -0.48938332      -4.44282093       0.16741466       0.06694384       0.14870226 
O       1.69324227      -1.30058416      -9.72029209      -0.34178074       0.01316680      -0.17074954 
O       6.90645195      -0.23850109      -4.44534443       0.15570256      -0.76430868      -0.17130864 
O       6.91466017      -1.31731231      -9.71245519      -0.78727089       0.37809633       0.77345351 
O       1.37128048       5.84943442      -4.78920635       1.23292917      -0.38759400      -0.92862173 
O       1.70534925       3.83026870      -9.72729630       0.16823791      -0.12192445       0.34398150 
O       7.03543312       4.83027259      -4.40404542       0.02917235      -0.32397631       0.08576656 
O       6.98379190       3.82479305      -9.63103282       0.09152872       0.32296328      -1.09830387 
O       4.50363929       4.22949179      -3.43896101       0.01006011       0.45808135       0.37066045 
O       4.33718842       3.27503975      -8.61394017      -0.60667247       0.44292808      -0.77477687 
O       9.55285198       4.13339953      -3.30441093      -0.92251785      -0.28154026      -0.88369680 
O       9.46268417       3.38693987      -8.66438151       0.95884492       0.47915440       0.73788027 
O       4.33668377       9.34346942      -3.48356351       0.05090618      -0.24251706       0.28350469 
O       4.23855367       8.58747748      -8.69486009       0.03249653      -1.00113123      -0.10782814 
O       9.56903611       9.37325795      -3.41839719      -1.07216873      -0.38561303      -0.58535543 
O       9.49057182       8.44132563      -8.67712481      -0.00750732      -0.01158996       0.54334742 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015915290642093984 -0.0020495893632253405 0.0018885869389912396 -0.0020495893632253405 -0.02221357370838999 0.0016938961689784758 0.0018885869389912396 0.0016938961689784758 -0.02281227843141924" pbc="T T T" energy=-946.73004191 free_energy=-946.7680815 config_type=crystal 
Hf       2.77940973       2.05858507      -9.38599452      -0.18036791      -0.13579447       0.79207728 
Hf       7.92251578       2.97939138      -4.12750632       1.22565670      -0.35029140      -0.97336301 
Hf       8.09723368       2.12444832      -9.44305187      -0.34466332      -0.65678649       0.46575405 
Hf       2.85324826       8.22163241      -4.17248358      -0.09000108      -1.41769995       0.07217572 
Hf       2.80434156       7.29178139      -9.49223944      -0.05439819      -0.75553221       0.02832997 
Hf       8.01066881       8.30807070      -4.25847770      -0.07809570      -0.39176458       1.16094647 
Hf       7.95415568       7.29008116      -9.40405753       0.57838973       0.07642998       0.29197303 
Hf       0.25339342       0.80516822      -3.75096532      -0.25647562       1.14587679       0.21433592 
Hf       0.23939936      -0.17763591      -8.90880090       0.33029868       0.99892075       0.18764210 
Hf       5.27509116       0.85857052      -3.64569212       0.13071164      -0.50837249      -0.97970988 
Hf       5.34232229      -0.07130074      -8.86861485       0.70081179       0.25385828      -1.74222856 
Hf      10.27147533       5.90892225      -3.44062378       0.50921931       0.01112706      -0.67426297 
Hf       0.29509695       5.05634392      -8.99732220      -0.82954315       1.02774074      -0.27884379 
Hf       5.40825370       5.99489182      -3.67842003       0.18982558      -0.80549318      -0.39646604 
Hf       5.41452351       4.97784393      -8.95006473      -0.21783615      -0.33744047      -0.70832483 
Hf       2.43107353       1.29737088      -1.16102102      -1.00250649      -0.05732346       0.73982435 
Hf       2.42722944       0.38789096      -6.24832711      -0.06542166       0.39830409      -0.62409010 
Hf       7.52637227       1.17849860      -1.12397149       0.17877859       0.20176481       0.80183213 
Hf       7.49876723       0.42152438      -6.27947090       1.66604432       0.44719845      -1.42488568 
Hf       2.40447614       6.23929618      -1.11029511      -0.47424583       1.57055945      -0.26278220 
Hf       2.58928468       5.32395959      -6.52093112       0.12381614       0.29442866       0.42035808 
Hf       7.55976325       6.44277289      -0.98941626       0.27533153      -0.27635859      -0.08022852 
Hf       7.51714382       5.47562628      -6.37047307       1.11260026      -0.46049043       0.14861742 
Hf       4.91649932       3.48676702      -1.55176375       0.95534063      -0.30696038      -0.53242241 
Hf       4.97846174       2.49886484      -6.79420391       0.67151587       0.02370544       0.64748800 
Hf      10.22176410       3.35634955      -1.49413160      -0.15152931      -0.73234340       0.34678974 
Hf      10.24692057       2.64899408      -6.82286714      -0.97681547      -1.72735676       0.59978305 
Hf       4.96574049       8.58181836      -1.51688857       0.18879923      -0.34158028      -0.28333077 
Hf       5.02848343       7.66510780      -6.86073519      -0.44675565       0.78337689       0.71875665 
Hf      10.24773194       8.62791235      -1.56435920      -0.37834854       0.45735571       0.81378316 
Hf      10.14981567       7.73874225      -6.80140311      -0.10472013      -0.89658856       0.12418527 
O       1.18173480       2.32239978      -2.62396388       0.60395396      -0.56845897       0.28922647 
O       1.39435421       1.36545859      -7.92354046      -0.41455934       0.34041067      -0.55457892 
O       6.47491400       2.34405084      -2.79456279       0.42730178       0.32753193       0.28781088 
O       6.57766779       1.48259162      -8.06027960      -0.46335295      -0.43109966       0.46608199 
O       1.25163894       7.56614632      -2.79780915       0.12185013      -0.66902223      -0.11922300 
O       1.35726356       6.63980932      -8.04821097       0.01985414      -0.17544122       0.12280026 
O       6.63523802       7.57920224      -2.79254133      -1.20472577      -0.54305961       0.53487835 
O       6.53757829       6.59089214      -7.98329719      -0.47171209       0.07373254      -0.37922466 
O       4.17216062       1.18599998      -5.29832438      -0.51590338      -0.11853054       0.07798646 
O       3.82421759       0.52507226     -10.29763295       1.03534627      -0.41645573      -0.24635040 
O       9.09825537       1.39682631      -5.16385756      -0.23522629       0.58837273       1.10083140 
O       9.34395884       0.53778549     -10.38866661      -1.98188966      -0.06416848       0.33699666 
O       4.04710043       6.59994840      -5.24961290       0.53025440      -0.24271252       0.28173177 
O       3.91679314       5.57405506     -10.49109457      -0.07282257       0.29151175       0.45995036 
O       9.33381760       6.78879505      -5.06147896      -0.74147158      -0.58075255       0.20485948 
O       9.07643950       5.73849071     -10.22388429       0.23600434      -0.78550603      -0.64926303 
O       3.98647804       1.79243407      -2.33750373      -0.01805264       0.07639194      -0.35781613 
O       3.83418468       1.01158669      -7.78410865       0.08723970      -0.77152455       0.23942210 
O       9.02056070       1.71731697      -2.41549262      -0.16123105       0.84563066      -0.76892056 
O       9.06125813       1.09497305      -7.74808461       0.24415727      -0.24214862      -0.26121086 
O       3.79736023       7.05756587      -2.51260445       0.59567530      -0.33519736      -0.63628253 
O       3.84386719       6.02807453      -7.96272948       0.54957180       0.66795049       0.74485782 
O       9.03354379       7.06209538      -2.35605322       0.00562684      -0.38034710      -0.32958856 
O       9.06071482       6.17352327      -7.67499424      -0.22148995      -0.39778469      -0.11197403 
O       1.33288730       1.00302978     -10.49673727      -0.19346218       0.08902596      -0.97135861 
O       1.17225511       1.81792617      -5.44463397      -0.29562688      -0.05518258       0.39501652 
O       6.41715342       2.78132728      -0.18321116       0.25856516       0.12870014       0.25253001 
O       6.58897108       2.08382792      -5.47844333      -0.50462610      -0.11897601       0.66058303 
O       1.20550177       7.96460340      -0.12100045       0.98138179      -0.73864730      -0.15361184 
O       1.47499308       6.99188753      -5.48149071       0.46046788       0.03654157       0.08938956 
O       6.39506480       7.95798756      -0.06788156       0.10929433      -0.21385466       0.13352103 
O       6.60588045       7.15493212      -5.47713758      -0.44876675      -0.34203717       0.40717359 
O       3.42965580       4.56109116      -0.80445843      -0.12438166       0.62218624       0.10407688 
O       3.62142854       3.71348238      -6.11397160      -0.88360751       0.82183288       0.27986415 
O       8.58178134       4.66613819      -0.81264899       0.88576199      -0.31390563      -0.54223656 
O       8.77283913       3.83312678      -6.04613814      -0.09929537       0.24392716       0.17073664 
O       3.56245842       9.81571570      -0.81921269      -0.63337055       0.18628967       0.36374726 
O       3.38923267       8.81684943      -6.15684097       0.51744603       0.07123959       0.50306027 
O       8.65191469       9.68060341      -0.80993837      -0.48660221       1.30078437       0.51566681 
O       8.74794783       9.00919514      -6.03360590      -0.56732488       0.63945528      -0.25034795 
O       1.01133635      -0.02107788      -1.86734549      -0.06635949      -0.09890148      -0.06436299 
O       0.93523451      -0.96276386      -7.02894522       0.37959701       0.61605163      -0.06304593 
O       6.15511901      -0.05094694      -1.79079339      -0.54879341      -0.00121329      -0.68858192 
O       6.03391684      -0.79997272      -7.01990474      -0.45567748      -0.78225454      -0.29348764 
O       0.84292058       5.12365285      -1.86930931       0.85696254       0.03894242       1.03707953 
O       1.05649216       4.22341997      -7.18772215      -0.03889271       0.18673524       0.23724936 
O       6.14529530       5.23084540      -1.78271970      -0.79797880      -0.13610107      -0.18921156 
O       6.04949553       4.32686291      -7.06107544       0.09178481      -0.11004911      -0.15229389 
O       1.77276803      -0.41039208      -4.38269952      -0.20620220       0.02971556      -0.34585750 
O       1.59286682      -1.40891782      -9.75812329       0.51216625       0.17320688      -0.18231732 
O       6.79802922      -0.36927984      -4.49787665       0.15087876       0.33435457       0.28212685 
O       6.79108279      -1.29364548      -9.70795569       0.85202524      -0.43475093       0.08194244 
O       1.57277366       5.69508273      -4.71440638      -0.62291063       0.04288259       0.19116429 
O       1.70715092       3.80322680      -9.74893443       0.42936520       0.11776119      -0.16508369 
O       6.88328408       4.73288247      -4.48758398       0.00413621       0.49394406       0.55398305 
O       6.95112523       3.80300425      -9.57973368      -0.17010279       0.63730307      -0.52488949 
O       4.25128947       4.36454466      -3.32910452       0.78976770       0.41656286       0.20012900 
O       4.36682944       3.19428564      -8.66101650      -0.07065898       1.23189466      -1.03680108 
O       9.55769697       4.01007683      -3.35878506      -0.66248833       1.12465107      -0.87326262 
O       9.61148898       3.36158562      -8.84245390      -0.27863396      -0.68126384       0.96184855 
O       4.31827996       9.34102608      -3.39920181       0.10255621       0.17258091      -0.03656745 
O       4.34204848       8.41285400      -8.70502550      -0.32390973       0.01339207       0.16701957 
O       9.44359470       9.42185022      -3.32178121       0.15783909       0.02341208      -1.00458261 
O       9.40096644       8.49929712      -8.58926957      -0.07060920       0.19455018      -0.44210219 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.019097980467797374 -0.0008730933605194697 0.002510482188905999 -0.0008730933605194697 -0.016490891414210805 -0.0007178916950028185 0.002510482188905999 -0.0007178916950028185 -0.02018400127062945" pbc="T T T" energy=-946.59621261 free_energy=-946.63324404 config_type=crystal 
Hf       2.81346964       2.03870782      -9.43223690       0.43400478       1.12198341      -0.23945075 
Hf       8.04356915       2.99593754      -4.13366092      -0.74940447      -0.38775810      -0.26854997 
Hf       8.07818764       2.11911680      -9.30530708      -0.11078457       1.39705612      -1.31701661 
Hf       2.86112379       8.11319050      -4.04554558       0.20636076       1.03369464      -1.33182594 
Hf       2.81122668       7.28614328      -9.50053333      -0.06808837      -0.55316098       0.45443322 
Hf       7.91558597       8.28436507      -4.17605105      -0.21657265      -1.02775640      -1.68470563 
Hf       7.99406304       7.20348277      -9.40630413       0.03891100       0.23185129      -0.38899375 
Hf       0.24855186       0.84764126      -3.73260021      -0.17235334      -0.93488289      -0.48400979 
Hf       0.21217855      -0.12251898      -8.87422562       0.94041623      -0.71004120      -0.52092572 
Hf       5.29008955       0.89378722      -3.77526965       0.81935061      -0.43059536       0.73721319 
Hf       5.41946223      -0.08502775      -9.07070700      -1.10494577      -0.15729425       1.44027674 
Hf      10.37201598       5.97294046      -3.41294340      -0.77205817      -0.15078276      -0.57613441 
Hf       0.24540859       5.03781053      -8.89226794       0.35814604      -0.05634090      -0.75988429 
Hf       5.49240615       5.92715959      -3.73515091      -0.65039164       0.13048186      -1.47631406 
Hf       5.45631297       4.96603425      -9.01900359      -0.35224820       0.64865892       0.85080170 
Hf       2.32825824       1.21851562      -1.17293939       0.85874016       0.13091446       0.86446366 
Hf       2.42350961       0.40525908      -6.31715026      -0.59211282      -0.79143573       1.26575706 
Hf       7.48987927       1.31221456      -1.01785006       0.75270989      -1.77613199      -2.02354575 
Hf       7.52031639       0.45348225      -6.43688454       0.18112252      -1.73131204       1.30501592 
Hf       2.36921948       6.39550206      -1.12628939       0.42174582      -0.42526262       0.75470262 
Hf       2.56912595       5.43196807      -6.47643100       0.58268162      -0.02134292      -0.80377390 
Hf       7.61978747       6.29140855      -1.10143996      -0.78243668       1.05979247       0.16502934 
Hf       7.63612797       5.41487666      -6.31272373      -0.63386170       0.76263598      -0.41575802 
Hf       5.01053783       3.45104533      -1.63920989      -1.27672784       0.47872885       0.17326584 
Hf       4.88881022       2.56486897      -6.69744879       0.91035960       0.08532777      -0.95314869 
Hf      10.18297848       3.30697583      -1.48617027       0.23549109       0.66933468      -0.42866285 
Hf      10.21824782       2.52267741      -6.69462634       0.21480716       0.72828486       0.16072359 
Hf       5.00910688       8.56892038      -1.57127835       0.16393216       0.36918756      -0.19864513 
Hf       4.99961295       7.78207978      -6.81963990      -0.41790217      -0.84482114       0.51255949 
Hf      10.13491568       8.67611282      -1.49145406      -0.61782930      -0.65610151      -0.04042916 
Hf      10.06498193       7.68107483      -6.82169969       0.37084565       0.34517846       1.01331970 
O       1.21305177       2.21965155      -2.53109251      -0.09319430       1.04680286      -0.97560532 
O       1.35350840       1.45490697      -7.94936486      -0.25779199      -0.24383812      -0.27948170 
O       6.57991656       2.44370936      -2.80521406      -0.68018773      -0.77865694       0.74588051 
O       6.52229541       1.43545178      -8.04205657       0.59133740       0.71248167      -0.35180641 
O       1.27761010       7.60652786      -2.65337329       0.29996924      -1.18679020      -0.37249196 
O       1.42056446       6.52087809      -7.95337840      -0.12788606       0.61215190      -0.69912624 
O       6.42799902       7.59441465      -2.92903475       0.61125696       0.13410825       1.63170634 
O       6.58210237       6.55974892      -7.99431871      -0.17550875       0.11977516      -0.66091814 
O       4.03571609       1.26775565      -5.26423728      -0.52621316       0.04314683      -0.13401887 
O       3.93925883       0.52571289     -10.35248170      -0.60355023      -0.12159022      -0.28335500 
O       9.07652002       1.45097897      -5.08561540       0.42622799      -0.60287433      -0.97619961 
O       9.12113906       0.57074233     -10.37638828       0.11748009      -0.31582088       0.33283788 
O       3.88789503       6.59991016      -5.11485396       0.51602088      -0.29866497      -0.67462957 
O       3.92562167       7.41094377      -0.00591750       0.26328268       0.32648972       0.75264371 
O       9.21823409       6.54111246      -5.15404256      -0.33804796       0.52445268       0.32177573 
O       9.16766140       5.72552855     -10.38499918      -0.12099645      -0.34515349       0.54344690 
O       3.97489068       1.80742324      -2.36975302      -0.05927871      -0.49689091      -0.33684647 
O       3.84859218       0.95621726      -7.75351289       0.09971970       0.55782928      -0.77630639 
O       9.02253371       1.76283240      -2.57206621      -0.26414788       0.91545839       1.37790152 
O       9.09526463       0.92607758      -7.79667617      -0.36755627       0.68421121       0.58196477 
O       3.94094642       6.99260322      -2.61601358      -1.21133932      -0.07753433       1.43045759 
O       4.01106117       6.09841077      -7.79514067      -0.22736457       0.41892213      -0.54572605 
O       8.95719715       7.08287091      -2.47056294       0.48442229       0.13763034      -0.39550829 
O       9.05870960       6.13835837      -7.78999454       0.11352161      -0.45188387      -0.09844872 
O       1.32686644       2.81419418      -0.08517413      -0.76699365      -0.08997518       0.47103838 
O       1.20716972       1.84062315      -5.36437149      -0.14821841      -0.31433974      -0.10568943 
O       6.41884538       2.84490572      -0.13964907       0.70009392       0.13206637       0.38962431 
O       6.49610657       1.95078288      -5.44519228      -0.51205416       0.46124486       0.60218276 
O       1.23241107       8.02154706      -0.13486174       0.41544488      -0.45313845       0.40025857 
O       1.32837989       7.28832698      -5.36309440      -0.00466249      -0.78145123      -0.02072502 
O       6.47217606       7.88944143      -0.20130924      -0.06132747       0.40512373       0.47934931 
O       6.44262076       7.05514829      -5.42139901       0.09448689      -0.13663315      -0.42335532 
O       3.53234880       4.63032514      -0.80723741      -0.25823929       0.56625333      -0.12838742 
O       3.58491434       3.86346201      -6.12465836      -0.29548973      -0.55279665       0.39175726 
O       8.69642152       4.70303626      -0.77429434       1.22228779      -1.64775247       0.61513721 
O       8.65045766       3.67909544      -6.01357530       0.73203889       0.25055166      -0.43321448 
O       3.44925491       9.75628301      -0.85551469       0.02028471      -0.01564604      -0.23227570 
O       3.41652413       8.87350658      -6.03686570       0.72326384       0.07181867      -0.06193448 
O       8.59555129       9.79427050      -0.80003516      -0.32180411       0.70598876       0.25916994 
O       8.55951328       8.86667464      -6.18430305      -0.08268465       0.33582358       0.43422775 
O       0.73917868       0.01645870      -1.80142145       1.22691998       0.42317966      -0.03780418 
O       0.86884842      -0.96097772      -6.94180286       0.20892376       1.02737715      -1.15131422 
O       6.03965894       0.05661587      -1.80547930       0.54951230       0.52934643       0.11358574 
O       6.06651463      -0.82165672      -7.17603322       0.18322002      -0.02089336       0.51547514 
O       0.89658863       5.10775296      -1.80594238       0.08182036      -0.00956643      -0.46243733 
O       0.87214879       4.29329944      -6.96476649       0.41517665      -0.41210575      -0.25420546 
O       6.20592662       5.15530994      -1.91576001       0.03750951       0.34933255       0.67355815 
O       6.16593188       4.21731592      -7.02409227      -0.40587847      -0.03540149      -0.88555998 
O       1.69041445      -0.47948312      -4.40156907       0.15785106       0.36627162       0.32026622 
O       1.62430432      -1.35625402      -9.77133313       0.15307196       0.22717167       0.42951686 
O       6.85006911      -0.36794883      -4.53329723      -0.56366630       0.67789545      -0.08371432 
O       6.83891378      -1.32307648      -9.70454510       0.64746623      -0.34357081      -0.21348478 
O       1.42242110       5.83544548      -4.87890770      -0.81974868       0.74820061       1.48041961 
O       1.68011122       3.85464576      -9.81349812       0.02692800      -0.37482385       0.94446570 
O       7.09909165       4.83905343      -4.42357682      -0.45998834      -0.41464507       0.27598457 
O       7.00589611       3.87424106      -9.75023714      -0.32006714      -0.93783144       1.34856186 
O       4.52713008       4.22605175      -3.41793170      -0.60996964      -0.28169625      -0.49812550 
O       4.29351126       3.34469459      -8.70488888      -0.08936044      -0.61760443       0.16432698 
O       9.42558063       4.18944546      -3.30421425       1.15385732       0.47558114       0.07896152 
O       9.53231016       3.38579735      -8.51729803      -1.06200271      -1.23986813      -1.07943379 
O       4.38106643       9.35329431      -3.44488607      -0.70934906       0.11487170      -0.22833721 
O       4.24579404       8.45719628      -8.66830464       0.28380553       0.50988229      -0.52923903 
O       9.35825495       9.39123583      -3.52215767       1.69920129       0.59066464       1.02412927 
O       9.51835308       8.45619717      -8.66569451      -0.62014031      -0.14964581      -0.63359597 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.019498210131415745 -0.0039049132778357916 0.0015818938168842367 -0.0039049132778357916 -0.02174565348644488 -0.0014826632402199639 0.0015818938168842367 -0.0014826632402199639 -0.020325072234383214" pbc="T T T" energy=-946.63543269 free_energy=-946.66933979 config_type=crystal 
Hf       2.81287251       2.05819750      -9.39822592       0.47301967       0.70245179      -0.52271672 
Hf       7.96140457       3.03616327      -4.14646313       1.37370285      -0.39720836      -0.03716436 
Hf       7.94253507       2.08253082      -9.42583385       1.19299361       0.13433865      -0.47881574 
Hf       2.89959625       8.17969888      -4.08809752       0.17921700       0.03607362      -0.43979175 
Hf       2.78550437       7.33024554      -9.49126446       0.63492268      -0.75564979       0.01679945 
Hf       7.93917848       8.23555910      -4.21933120       1.02492620       0.53460905      -0.14121502 
Hf       7.98453981       7.20520450      -9.32593202       0.48294799       1.34923471      -1.64067108 
Hf       0.30000304       0.84487505      -3.76720468      -0.99335987       0.38199884      -0.14961657 
Hf       0.23185486      -0.11567331      -8.87224857      -0.33782309       0.15912969      -0.79081652 
Hf       5.38581648       0.84522096      -3.80658187      -0.08704331       0.46809811       1.49960719 
Hf       5.39411240      -0.10188516      -8.95936647       0.36405336      -0.14957628      -0.61301829 
Hf      10.32728586       5.99198901      -3.43528224       1.25210394      -0.20413543       0.02128547 
Hf       0.27027142       4.98057911      -8.98614044      -0.31555315      -0.00634789      -0.20537336 
Hf       5.42283087       5.92237260      -3.73021301       0.15232581       0.22951169      -0.37781550 
Hf       5.40053101       4.97310061      -8.87741014      -0.02587977       0.24813433      -0.67693508 
Hf       2.37191701       1.28864334      -1.17982252       0.55715993      -0.12662453      -0.41466600 
Hf       2.39418154       0.40954095      -6.28841215       0.05354661      -0.04878350       0.75174092 
Hf       7.53480846       1.21265426      -1.14194796       0.67772683       0.31210398       0.82901123 
Hf       7.49685531       0.45677497      -6.36156857       1.88329380      -0.86233894      -0.15004974 
Hf       2.44295785       6.39058636      -1.05808651      -0.31627043       0.38244787      -1.26504918 
Hf       2.57757035       5.33223645      -6.50001574      -0.04403953       0.37855133      -0.87258304 
Hf       7.51272836       6.35661748      -1.07890518       0.64829622       0.31799594      -0.17326101 
Hf       7.63235598       5.48340311      -6.35247874       0.06067974      -0.28450645       0.60556365 
Hf       4.95314568       3.47437058      -1.58640024       0.09479618       0.01553411      -0.12309762 
Hf       4.91818297       2.47134423      -6.70272239       0.17030781       1.53211369      -0.34311566 
Hf      10.15713117       3.32433019      -1.43382233       0.76952526       1.33538387      -0.92687556 
Hf      10.17261271       2.53170709      -6.81145920       0.45033972       0.19611529       0.93726193 
Hf       5.00157973       8.58937406      -1.52984556      -0.44731640       0.89725812      -1.00670990 
Hf       5.01434899       7.77895359      -6.75987708      -0.89904654      -0.71368610       0.31714659 
Hf      10.20149305       8.60682144      -1.51987735      -0.40783365       1.48533473      -0.27216659 
Hf      10.15481465       7.70286689      -6.85147546      -0.34564089       0.46235609       1.30887889 
O       1.16994161       2.32496504      -2.63958812       0.95852454       0.02633961       0.63320429 
O       1.43653351       1.50749871      -7.94394730      -0.85878540      -0.91877602      -0.53629306 
O       6.51209432       2.35521790      -2.80648684       0.81980561       0.56814979       0.31064763 
O       6.49928995       1.47732353      -7.98363447      -0.01586509       0.41951788      -0.08379427 
O       1.44286213       7.54117884      -2.74504403      -1.33168807      -0.18551479       0.15416970 
O       1.41326922       6.50396089      -8.13627507      -0.04484441       0.62307982       0.88697574 
O       6.54272273       7.53205530      -2.87011188      -0.80950314       0.19230120       1.82350095 
O       6.51500537       6.64031022      -7.92129165       0.88786032      -0.00321482      -0.51244279 
O       4.11829795       1.25065773      -5.27294226      -1.33718439      -0.33647071      -0.49712593 
O       4.04345052       0.62465646     -10.35325875      -1.38555199      -0.21679710      -0.16970155 
O       9.10994300       1.58371827      -5.14867918      -0.65699414      -1.10264148       0.18709919 
O       9.16001841       0.51846378     -10.40920061       0.00208204      -0.02610883       1.04387939 
O       4.00788953       6.55151812      -5.13939183      -0.10618926       0.41504311      -0.63942633 
O       3.90850750       5.79095236     -10.47419913       0.49325730      -0.74748014       0.86876015 
O       9.21698631       6.60490503      -5.13182070      -0.20654831       0.42222716      -0.14246571 
O       9.20499591       5.76056513     -10.35607679      -0.82273553      -0.79518385       0.09707266 
O       4.10440789       1.80387329      -2.34880498      -1.56592254      -0.63718414      -0.20153915 
O       3.88182086       1.00947440      -7.78503669      -0.43518201      -0.40212593      -0.00289221 
O       9.05825825       1.88564962      -2.46776978      -0.75149671      -0.20872549      -0.37986293 
O       9.01677084       0.97100828      -7.79540382       0.12983563      -0.11772732       0.12924658 
O       3.94562465       6.97635518      -2.54032504      -0.12591095       0.80146200       0.34714005 
O       4.00724835       6.13863854      -7.83224953      -0.79666268       0.11962636       0.50382099 
O       8.91112377       7.13910297      -2.51894155       1.07158841      -0.29985588       0.67627427 
O       9.14990854       6.18756180      -7.78787532      -1.26191313      -1.07275133       0.13162621 
O       1.30637241       2.75522857      -0.04892527      -0.07502484       0.52262790       0.18840848 
O       1.14491461       1.79892129      -5.44669303       0.54465680      -0.25078995       0.20561024 
O       6.48306509       2.79735658      -0.11613626       0.28211560       0.55033766      -0.22539292 
O       6.47273703       1.98575562      -5.35153179       0.21017352       0.59600301      -0.53730661 
O       1.25382485       7.95142789      -0.20542599       0.26889325       0.01538152       0.65424090 
O       1.53740499       7.10325220      -5.47591668      -0.78124814      -0.30569829      -0.11553355 
O       6.41876080       7.96717418      -0.19212521       0.80174285      -0.33461032       1.28499220 
O       6.46987835       7.07638567      -5.27577175       0.39765263      -0.07049103      -1.70345620 
O       3.51145558       4.71292744      -0.84901955       0.25213512      -0.77915923       0.69367648 
O       3.47685049       3.72073736      -6.08820453       0.79381148      -0.59193273      -0.07531353 
O       8.67926860       4.66738624      -0.79772356       0.11499946       0.07360806       0.16240026 
O       8.85722692       3.82537190      -6.05020701      -1.60292111       1.30610008       0.36166623 
O       3.42324976       9.81229579      -0.90839206       0.40390962       0.04656703       0.32796146 
O       3.44289158       8.90533492      -6.02081724       0.40509448      -0.30109187      -0.29778580 
O       8.65103702       9.78916887      -0.67143733       0.78302602       0.11015653      -1.24094674 
O       8.56485742       8.88494791      -6.11556990       0.60233060      -0.12573927      -0.46827947 
O       1.00544246      -0.02177548      -1.94306689      -0.44717177      -0.31426067       0.94153454 
O       0.80212859      -0.87062370      -6.97199887       0.89252014       0.56740398      -0.64040941 
O       6.10559294       0.06704133      -1.79248787      -0.70503612      -1.28861802      -0.69887032 
O       6.06376982      -0.80353749      -7.05890633      -0.21277083      -0.30390479      -0.02953178 
O       0.95105861       5.21987069      -1.78492336      -0.99952228      -0.70258217      -0.16016569 
O       0.92205317       4.24351865      -7.06768702       0.48470160       0.28834932      -0.29912423 
O       6.15418846       5.14538061      -1.80722576       0.09557372       0.39587343      -0.48934724 
O       6.15634153       4.29884441      -7.05060026      -0.47805825      -0.68010635      -0.68575472 
O       1.68335933      -0.43213913      -4.40700595       1.15979516      -0.63574208      -0.64643025 
O       1.62862991      -1.35744819      -9.73359077      -0.10583814       0.68255197      -0.16951058 
O       6.96326192      -0.28219481      -4.53550476      -0.39827317      -0.68204846       1.14581090 
O       6.86718224      -1.26344319      -9.76304029       0.15771414      -1.05762036       1.28042906 
O       1.49301120       5.72057129      -4.82503340      -0.59437945       0.62279948       0.63729080 
O       1.75976852       3.84894717      -9.72015076       0.10745577      -0.42331323       0.34533263 
O       6.87997529       4.66812739      -4.56614883       0.23362710       0.68908396       0.43142423 
O       6.93719215       3.85115813      -9.74375712      -0.45686389       0.05902136       1.05418674 
O       4.36608155       4.31357216      -3.39477025      -0.38913181      -0.96455857       0.40321817 
O       4.26043615       3.32276511      -8.67690798       0.47506825       0.41099552       0.22083649 
O       9.53563754       4.24010588      -3.32430544      -0.96077177      -0.78694818      -0.37313638 
O       9.54509770       3.26884371      -8.64231569      -0.68370624       0.20442777      -1.17532393 
O       4.35532427       9.43214373      -3.47597316      -0.19129942      -1.15985657       0.51603562 
O       4.23999594       8.49825805      -8.64537388       0.29373553       0.23460394      -0.04484583 
O       9.55001511       9.36777925      -3.47105647      -0.43124249      -0.10486468       0.23789672 
O       9.50338368       8.47277727      -8.64315784      -0.38739039       0.01074841      -0.31605406 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01859063014858343 0.0015008445877829153 0.0050577406228495625 0.0015008445877829153 -0.015600779773904937 -0.0019428545702069456 0.0050577406228495625 -0.0019428545702069456 -0.013168502190142557" pbc="T T T" energy=-946.87001471 free_energy=-946.9028967 config_type=crystal 
Hf       2.82031632       2.04810668      -9.42570669       0.31788052       0.13539768       0.37026059 
Hf       7.99596363       3.07484554      -4.14460201      -0.04837727      -0.72467736      -0.90988217 
Hf       7.94094338       2.09505360      -9.42212305       0.24772693       0.25141618       0.15881330 
Hf       2.88505056       8.21222418      -4.10775440       0.08762296      -0.68643189      -0.95379683 
Hf       2.79194967       7.31194269      -9.50445782       0.25855562      -0.08706252       0.72426826 
Hf       7.94817783       8.24798744      -4.27079027       0.54254715      -0.48028119       1.01372145 
Hf       8.01845342       7.20724089      -9.30858484      -0.28533347       0.05247418      -1.39755413 
Hf       0.24520431       0.83379098      -3.78335059       0.48583213      -0.57360348       0.57385528 
Hf       0.19833161      -0.12760068      -8.86590843       0.62955511       0.06300234      -1.31647553 
Hf       5.37457948       0.84496531      -3.79223366      -0.81655152       0.56283789       0.62459889 
Hf       5.37521827      -0.10835410      -8.96054894       0.36918176      -0.34643000      -0.28762581 
Hf      10.36632604       6.01139450      -3.47303846      -0.55151614      -1.22008850       1.08883633 
Hf       0.27755439       4.95362450      -9.00469235      -0.74826069       0.46873852       0.05738059 
Hf       5.40161129       5.87369296      -3.73828134      -0.31504415       0.23161763       0.59112113 
Hf       5.39077774       5.00394826      -8.88698971       0.27562095       0.78576599      -0.23022103 
Hf       2.37427467       1.23856468      -1.17445431       0.53875472       0.55797031       0.50094022 
Hf       2.39294375       0.43075640      -6.28386456       0.37878028      -0.42826975      -0.59337649 
Hf       7.55144437       1.25680565      -1.15529179      -0.64238641      -1.06447264       0.95566628 
Hf       7.54862569       0.43991366      -6.37382170       0.01556143      -0.52479456      -0.04156476 
Hf       2.45425293       6.36675379      -1.05961330      -0.79747804      -0.43807975      -0.88388536 
Hf       2.58771242       5.33931177      -6.51305705      -0.22806657      -0.55824146      -0.58454762 
Hf       7.51999606       6.35383672      -1.06389953       0.54513561       0.87207466       0.91756910 
Hf       7.63300215       5.49070455      -6.33860148      -1.32339759       0.89420389      -0.60645976 
Hf       4.97022130       3.46783186      -1.57164587      -0.08334620      -0.73221672      -0.52689057 
Hf       4.91453150       2.53345419      -6.67675014       0.52263964       0.24666537      -0.64606531 
Hf      10.15039857       3.30484873      -1.44272263       1.09501785       1.56928670      -0.77331654 
Hf      10.16681918       2.53073799      -6.80840826       0.12847170       0.96645560       0.01289701 
Hf       5.01157385       8.58993152      -1.53405272      -0.01974523      -0.50437158       0.10263394 
Hf       4.98007255       7.75751274      -6.68946918       0.60348195      -0.09612113      -1.99565849 
Hf      10.17883961       8.63141867      -1.48776373       0.24441293      -0.37453086      -0.88067498 
Hf      10.19688319       7.72230742      -6.81100253      -1.01686711      -0.44293672      -0.86999792 
O       1.20307158       2.24784120      -2.54257931      -0.53283939      -0.12877906      -0.85537232 
O       1.30968401       1.41650550      -8.03276177       0.37414666       0.72730436       0.65648330 
O       6.55530985       2.46838937      -2.80806424      -0.48108537      -0.95693979       0.51633662 
O       6.50510020       1.49623993      -7.95404865       0.41169703      -0.16781571      -0.57789584 
O       1.37609607       7.41840642      -2.85376467      -0.42534294       0.50853266       1.09380880 
O       1.36155111       6.60129356      -8.08838589      -0.37146245      -0.26722007       0.25831607 
O       6.46504385       7.54647748      -2.69423012       0.91294945      -0.26978265      -0.83483759 
O       6.61253211       6.73501284      -7.91395427      -0.67494870      -0.80571924      -0.19440399 
O       3.99056527       1.24253420      -5.25386564       0.96708282       0.14539992       0.51260852 
O       3.91179676       0.54377958     -10.42681272       0.79784653      -0.16637023       0.56430151 
O       9.12393966       1.55671708      -5.20199443      -0.72259811      -0.46183073       0.59326349 
O       9.21868669       0.54958091     -10.35034757      -0.70159319      -0.50430024      -0.20401254 
O       4.00973610       6.61772915      -5.21106053      -0.49295674      -0.59282739       0.76571433 
O       3.87124146       5.63744243     -10.45236894       0.48797138       0.30858574       0.82848646 
O       9.17402172       6.52592984      -5.15087664       0.14494708       1.29232355       0.27840653 
O       9.06943633       5.57853541     -10.32045040       0.33094852       0.97079448      -0.26972682 
O       4.03986691       1.73853644      -2.41599759      -0.46446324      -0.10395550       0.09245694 
O       3.88959654       0.96180631      -7.74689321      -0.55360024       0.47284173      -0.96789258 
O       8.94534597       1.87557747      -2.53188625       0.99809069      -0.24754483      -0.16325546 
O       9.07508543       0.99183655      -7.76577001      -0.62066366      -0.13977689       0.26862111 
O       3.85284576       7.06719330      -2.50368850       0.07069350      -0.43913853      -0.26916506 
O       3.89129349       6.16530591      -7.83632281       0.34883109       0.30709895       0.16728750 
O       9.00242558       7.11622987      -2.46989983      -0.57751009      -0.29118396       0.05766708 
O       9.07645872       6.11908071      -7.74205423       0.65477060       0.25533747      -0.28436193 
O       1.37731558       2.87392444      -0.09882080      -0.94436681      -0.31146032      -0.11197325 
O       1.13344102       1.77019793      -5.40393244      -0.18608853       0.59993890      -0.41514382 
O       6.53099354       2.86526020      -0.19741268      -0.47032775      -0.65245190       0.53915766 
O       6.52644644       2.01958703      -5.41083531      -0.56822198      -0.43525306       0.37570945 
O       1.23279863       7.91788727      -0.11518239       0.05153094      -0.25459247      -0.41279299 
O       1.43343429       7.14442445      -5.55183801       0.61849814      -0.15240133       0.85102366 
O       6.40168341       7.90175217      -0.04545493       0.14853672       0.45717325      -0.20213712 
O       6.51191166       7.06994637      -5.38482011      -0.14780480       0.53484328       0.71809079 
O       3.56689694       4.68532637      -0.81162445      -0.56563410       0.32218297       0.60009251 
O       3.50121376       3.71481438      -5.98014280      -0.29721070       0.73878069      -0.21655285 
O       8.60088577       4.63176772      -0.76982645       0.22579815      -0.04988184      -0.70904473 
O       8.72880984       3.93391232      -6.10471523       1.29291060      -2.46759944       0.29362824 
O       3.49805220       9.76524043      -0.85779016      -0.73944967       0.36026947       0.10657486 
O       3.54173570       8.95763009      -6.09834642      -0.74961223      -0.21588025       0.54380738 
O       8.80989622       9.83557725      -0.86213583      -1.55776523       0.67953917       0.88131739 
O       8.68144485       8.93402444      -6.13271672      -0.36561878       0.09006746       0.34618057 
O       0.98256978      -0.09213550      -1.84477175       0.00113255      -0.00989184      -0.59450985 
O       0.96370360      -0.90295871      -7.07968751      -0.53754556      -0.62101407       0.24355973 
O       5.99932194       0.04819415      -1.76814489       1.27163141       0.89019031      -0.44498609 
O       5.96835097      -0.74934666      -7.03621152       0.94501372      -0.21388193       0.31467468 
O       0.79594159       5.11301023      -1.74815934       0.38388859       0.59827915      -0.15017922 
O       1.00785124       4.18038954      -7.19464078      -0.16428116      -0.01971014       0.61983921 
O       6.11989737       5.19941094      -1.81446896      -0.49644881      -0.41880108      -0.28245974 
O       6.04248873       4.30593190      -7.01300292       0.28438965       0.51955820      -0.08403137 
O       1.78057457      -0.45648006      -4.52402006      -1.06928338       0.39291799       1.25112328 
O       1.65567481      -1.27019013      -9.69789099       0.58540134      -0.57836350      -0.71844261 
O       6.93620362      -0.33233643      -4.44003701       0.17027300       0.10841949      -0.38619570 
O       6.92376633      -1.32130206      -9.70545781      -0.00460267       0.44505310      -0.03547663 
O       1.42943029       5.79052777      -4.88348102       0.21937289      -0.07294778      -0.44308297 
O       1.82731126       3.80521475      -9.63878424      -0.43084380       0.42299861      -0.66672875 
O       6.85042332       4.70966166      -4.49286672       0.25141964       0.42964337       0.20834662 
O       6.87837581       3.85561083      -9.57501808       0.34225682      -0.58770308      -0.90054877 
O       4.35469327       4.19756267      -3.34180740       0.01213022       0.95431322      -0.50207015 
O       4.33665519       3.33887927      -8.60880864      -0.91841909      -0.77313516      -0.25791042 
O       9.46197046       4.19888177      -3.45156896       0.88900440       0.36966267       0.77916022 
O       9.38552407       3.31602253      -8.77914451       1.53856284       0.29160719       1.15276181 
O       4.41146771       9.30823453      -3.54750525       0.39610979       0.47466277       0.73269698 
O       4.32723224       8.47025911      -8.73746285      -0.23790316      -0.23269823       0.28534004 
O       9.54935419       9.30955003      -3.52753334       0.21835954       0.47943139       0.11318957 
O       9.45547496       8.46012880      -8.66623676       0.50053813       0.07270982       0.44850563 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014180977630702925 -0.002466957767756238 0.004329854561562705 -0.002466957767756238 -0.016453902926655415 -0.00014098556742590064 0.004329854561562705 -0.00014098556742590064 -0.027344854207224743" pbc="T T T" energy=-945.70221687 free_energy=-945.73514685 config_type=crystal 
Hf       2.82570057       2.19568096      -9.45864629      -0.23018414      -0.10443121       1.01771415 
Hf       7.98760973       2.91833100      -4.11166377       0.03365296       1.33738138      -1.21046934 
Hf       7.96984721       2.16965612      -9.41146159       0.98967882      -0.30825898       0.12071338 
Hf       2.88080135       8.06757575      -4.09913720      -1.25291177       0.17977759      -0.82013449 
Hf       2.73212745       7.20824495      -9.41300255       1.26935965      -0.22228495      -0.69526776 
Hf       7.95111797       8.32742945      -4.16944544      -0.44681741      -1.39305620      -1.01145479 
Hf       7.97806188       7.32184936      -9.41609687       0.42440083       0.34240467       0.62501038 
Hf       0.24227498       0.77819073      -3.76446917       1.57695419       0.62886413       0.37891395 
Hf       0.36537109      -0.07653671      -8.89561553      -1.00961790      -0.76265795       0.26172165 
Hf       5.33503173       0.84185182      -3.76793867      -1.05741396       0.43464484       0.24704598 
Hf       5.36876206      -0.07661905      -8.90736011      -0.11575875      -0.88290707      -0.11896480 
Hf      10.28971642       5.97976122      -3.45460552       0.26743218       0.18989339      -0.47181168 
Hf       0.14483739       5.07113270      -8.98072697       1.06503396      -0.92758106      -0.27646329 
Hf       5.47768601       5.87878236      -3.72758713      -0.26151454      -1.14360103      -0.86272514 
Hf       5.43106912       5.07201269      -8.95416448      -0.85235590      -0.74298253      -1.34697534 
Hf       2.44955298       1.21682102      -1.08264360      -0.73790074      -0.24469632       0.03742564 
Hf       2.45778906       0.42730352      -6.28451139      -1.06096512      -0.52787109       0.51462269 
Hf       7.57148569       1.33185328      -1.05481432      -0.62641972      -0.34632901      -0.15402951 
Hf       7.63478845       0.42731247      -6.40405772      -0.53409869      -1.13502907       0.31696342 
Hf       2.30318178       6.43111089      -1.12904212       0.35292458      -0.27468643       0.17030142 
Hf       2.60197996       5.29445476      -6.57069875      -2.19474453      -0.60098546       2.66100772 
Hf       7.53998096       6.33895907      -1.02735277      -0.09927886       0.73573548      -1.19014388 
Hf       7.59788441       5.42413001      -6.41907513      -0.65423708      -0.06936723       1.18312926 
Hf       4.86906326       3.44841417      -1.56655823       0.24608617       0.70969535      -0.39246690 
Hf       4.99822876       2.46892828      -6.79100490      -0.99566714       1.33483705       0.48088295 
Hf      10.28978459       3.43924727      -1.47953411      -0.80125252      -0.61322864       0.01848220 
Hf      10.24090926       2.55771434      -6.76340968       0.00065513       0.41899510      -0.15763609 
Hf       4.98951099       8.51016654      -1.59135085      -0.37651170       0.67811724       0.69696012 
Hf       4.98876871       7.68534229      -6.73384697      -0.22072958       0.67322118      -0.44410287 
Hf      10.12127364       8.75723369      -1.50826077       0.47191340      -1.30708298       0.22378555 
Hf      10.14536936       7.60327490      -6.80758050       0.89115577       1.64446989       0.17835992 
O       1.28286198       2.31819188      -2.48076342      -0.31482258      -0.67694536      -0.60711704 
O       1.39031893       1.51888419      -7.88273813      -0.12813209      -0.51508078      -1.10831235 
O       6.41192492       2.45807081      -2.87007639       0.88905578      -0.37612761       1.05542821 
O       6.56207144       1.50881625      -7.90073550       0.28496426      -0.54695058      -1.19276008 
O       1.20313185       7.50727196      -2.79191171       0.95293823       0.53057456       0.43716335 
O       1.28839554       6.53575316      -8.03488971       0.59277388       0.53931743       0.00549871 
O       6.48402037       7.50625093      -2.86118018       0.25480514       0.46758864       0.48877382 
O       6.55819191       6.57061204      -8.05091539      -0.07187318       0.72466755       0.22823555 
O       3.98506933       1.31104608      -5.29170555       0.74278564      -0.62027547       1.02021195 
O       3.89727227       0.48215356     -10.35078575      -0.05688909       0.49090897       0.61343354 
O       9.06820155       1.29474943      -5.14829927      -0.02359464       1.27103980       0.73737498 
O       9.11240768       0.67596226     -10.40902777       0.33742469      -1.00380597       0.43548794 
O       4.03101926       6.41828764      -5.17721389      -0.66122043       0.95298544      -0.05517485 
O       3.81516317       5.59015659     -10.44896916       1.29666251       0.53318597       0.79999421 
O       9.14763452       6.58209875      -5.03441937      -0.31572149       0.65742069      -1.00327025 
O       9.08720665       5.76475220     -10.34451060       0.05203694      -0.36307857       0.12374293 
O       3.98001216       1.75106562      -2.26292752       0.19131972      -0.41357638      -1.40038561 
O       3.80532990       1.04404338      -7.77954226       1.12931583      -0.79929887      -0.97352303 
O       9.03556345       1.98915403      -2.47255616      -0.61550534      -1.24428801      -0.23739175 
O       9.19483182       0.89365575      -7.75135827      -0.62313993       0.60442114      -0.07470080 
O       3.77701105       6.94326077      -2.48841120       0.73011936       0.45574232      -1.00682777 
O       3.86004686       6.00455924      -7.81205029       1.83429820       1.81266025      -1.60461766 
O       9.03473877       7.21242843      -2.46676351      -1.50430275      -0.43536564       0.78800589 
O       9.11720156       6.09084462      -7.67811522      -0.52436630       0.00625528      -0.77933471 
O       1.27273425       1.08993591     -10.46149836       0.30164042      -0.84775739       0.03792235 
O       1.17831151       1.80296159      -5.42573480      -0.68650289      -0.28399239       1.13140801 
O       6.41307097       2.89875204      -0.05683494      -0.09688350      -0.38678936      -0.51031243 
O       6.39719190       1.98884105      -5.39194718       1.53043521      -0.10986518       0.61129947 
O       1.26172532       7.94729028      -0.13752679      -1.07928355       0.41550938      -0.28256282 
O       1.43019626       6.83329478      -5.39457841      -0.13053731       0.94023325      -0.55893880 
O       6.43202682       7.89919059      -0.17140262      -0.24941218       0.91963374       0.52245681 
O       6.45564188       7.02388192      -5.44506754       0.68489382       0.21208323       0.20221759 
O       3.44591069       4.68420086      -0.78673302       0.28100256      -0.33610716      -0.29427584 
O       3.47202783       3.63522674      -6.22318976       0.55658979      -0.16197750       0.18861438 
O       8.61287638       4.72565779      -0.71923830       1.18222190      -0.30285993      -0.72025191 
O       8.69209874       3.74837575      -6.06092569       0.62875645      -0.92846919       0.38265164 
O       3.57936904       9.70711896      -0.82620608      -1.18167183       0.85597891       0.72477767 
O       3.48981332       8.88333519      -6.00591449       0.74239955      -0.85503482       0.48041253 
O       8.63600372       9.82540104      -0.68541550      -0.27163244       1.41850914      -1.55593774 
O       8.70185991       8.84015431      -6.07215103      -0.30680355       0.74597140      -0.15017123 
O       0.90656311      -0.01042430      -1.83952640       0.33063207       0.33965203      -0.45964793 
O       1.10980237      -1.04133720      -7.11988911      -0.90634078       0.27361215      -0.35063912 
O       6.04700113       0.08436316      -1.84836810       0.97027515      -0.24982015       0.05615632 
O       6.11974068      -0.86659840      -7.04190882      -0.42530795      -0.09814838      -0.64735332 
O       0.91411207       5.14024762      -1.86760748       0.07226977      -0.08289714       0.68804755 
O       0.95319922       4.27993854      -7.09669426      -0.83350536      -0.85506635      -0.40964457 
O       6.02350795       5.23025859      -1.79631344       0.46245510      -0.12365745      -0.07335311 
O       6.13719596       4.25866579      -7.21082365       0.18323912      -0.19736773       0.88850666 
O       1.63924401      -0.55640320      -4.46198765      -0.14906670       0.27943541       0.16062576 
O       1.60637441      -1.49363542      -9.76421625       0.16361362       1.57025210      -0.41962325 
O       6.79670435      -0.29583138      -4.59263918       0.62188220      -1.21130376       0.89899004 
O       6.94779805      -1.18040294      -9.68904718      -0.51154063      -0.44582764       0.40642811 
O       1.41708776       5.49946954      -4.74784917       0.61143445      -0.27315365      -0.02633714 
O       1.72154107       3.88181855      -9.74584716      -0.87660958      -0.02325559       0.63076546 
O       6.97748094       4.71485601      -4.58148231      -0.66582027      -0.12919698       1.46074588 
O       6.85739531       3.84340344      -9.74492731      -0.12602496      -0.19974563       0.72753371 
O       4.33360689       4.23081588      -3.39140397       0.21462500       0.11526574       0.20669314 
O       4.31813314       3.33842288      -8.66882253       0.05305989       0.02572737      -0.45644662 
O       9.45473497       4.21987597      -3.28562622      -0.78838137      -0.63288747      -0.68089802 
O       9.48666185       3.36593763      -8.65939762      -0.39052005      -0.60446918       0.00516992 
O       4.21173361       9.32031783      -3.36465814       0.77947636       0.55629251      -0.53229728 
O       4.24334702       8.42459515      -8.58890047       0.35324277       0.34438377      -0.50157147 
O       9.35481670       9.46535113      -3.41257000       0.80530026       0.77705476       0.63895405 
O       9.56270198       8.43398102      -8.73099712      -0.40488791      -0.22979713       0.94101701 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012742019403457771 0.004584129973343823 0.00501832721537613 0.004584129973343823 -0.01777120345557348 -0.002907165414556023 0.00501832721537613 -0.002907165414556023 -0.017059313614470637" pbc="T T T" energy=-946.51391745 free_energy=-946.55313968 config_type=crystal 
Hf       2.84877804       2.08598624      -9.46531993      -0.68136955       0.01955511       0.95379718 
Hf       8.05224225       3.04930502      -4.12573865      -0.39438803      -0.54690346      -0.19942573 
Hf       7.96513365       2.04302710      -9.50755392      -0.57499781       0.95874655       1.29499185 
Hf       2.91021077       8.16804766      -4.12046505       0.38675497      -0.34132657       0.34343730 
Hf       2.85191487       7.26742537      -9.48290558      -1.09720355       0.27235374       0.21583378 
Hf       7.93850571       8.24025096      -4.28169691       0.04008254       0.25276954       1.57932072 
Hf       7.96960168       7.32604146      -9.39878077       1.12287239      -0.37477861      -0.02683517 
Hf       0.23123612       0.76758824      -3.70493317       0.71106298      -0.15648314      -0.58198359 
Hf       0.21748675      -0.07481882      -8.96743459       0.59752044      -0.40418771       0.68533081 
Hf       5.40760773       0.92848801      -3.70138155      -0.20345491      -0.89995038       0.05357717 
Hf       5.35624996      -0.10320323      -8.96046262       0.06508447       0.18168267      -0.00395260 
Hf      10.37480515       5.94993020      -3.43130105      -0.59345596      -0.25449018       0.71348291 
Hf       0.27963120       4.96270439      -9.02348850      -0.89166622       0.29569261       0.23686641 
Hf       5.38396077       5.83364226      -3.73713237       0.32953560       0.35188198       0.57694885 
Hf       5.42747647       5.06048132      -8.87788760      -0.07213573      -1.11244339      -1.32096233 
Hf       2.36816549       1.24793009      -1.15437436       0.10373524      -0.52405115      -0.04180901 
Hf       2.44257808       0.44794914      -6.24374266       0.04270880      -0.62278740      -0.77794551 
Hf       7.54395172       1.22517273      -1.12339553      -0.75756173       0.24975778      -0.04780196 
Hf       7.62515914       0.45900965      -6.30416345      -0.93713978      -0.39432119      -0.25864803 
Hf       2.40931854       6.41039161      -1.09358038      -0.45694325      -0.94114641      -0.50253191 
Hf       2.55162454       5.31985235      -6.49515838      -0.52881115       0.39881750      -0.47837444 
Hf       7.52011648       6.37777489      -0.98365249      -0.02440627      -0.18613422      -1.77599388 
Hf       7.62257487       5.57053903      -6.34928950       0.35131635      -1.54552572       0.13294608 
Hf       4.90697443       3.39075836      -1.56219839      -0.03275791       0.82178088      -0.76754366 
Hf       4.97594262       2.60641476      -6.75814059       0.05566994      -0.94841271       0.31293929 
Hf      10.16196463       3.34346657      -1.47122720       0.64488620      -0.05505817      -0.58709889 
Hf      10.13755398       2.53650900      -6.80425706       0.80767368       0.00541821      -0.15845047 
Hf       5.07599991       8.57239055      -1.52933985      -1.57133765       0.27018823      -1.61716297 
Hf       4.93842648       7.71458188      -6.77873329      -0.41157343       0.98630772       0.21795760 
Hf      10.06010857       8.62254244      -1.49686963       1.52082469       0.03908567      -0.31670333 
Hf      10.15288154       7.72041451      -6.80199797       1.10646042       0.22681376      -0.74975294 
O       1.20627740       2.19803774      -2.67135533       0.04220581       0.72086048       0.72384226 
O       1.30769219       1.43157560      -8.09256166       0.43190285       0.40216939       0.83816378 
O       6.51323466       2.47982864      -2.72387034       0.42321051      -0.49715477       0.00875224 
O       6.44356513       1.47383687      -8.13031714       0.77165561       0.23106145       1.29567872 
O       1.26605568       7.44546728      -2.72961090       0.55676327       0.10240290       0.16906443 
O       1.34291560       6.55859561      -7.97625791       0.43799245      -0.14755230      -0.86327727 
O       6.43931654       7.56342755      -2.89017860       0.71251862      -0.34461672       0.67663703 
O       6.49432463       6.57103398      -7.96676139       1.04000755       1.04165814      -0.49768215 
O       4.18758677       1.13792221      -5.21845452      -1.13533154       0.80970988      -1.67811579 
O       3.80140174       0.46769173     -10.41239069       1.00718543       0.26183003       0.73209299 
O       9.14744521       1.45159886      -5.09639362      -0.49405448       0.13869575      -0.37111309 
O       9.06532115       0.52956377     -10.35775027       0.36017511      -0.40044780      -0.65790271 
O       3.92718946       6.48954106      -5.13503839      -0.02273954       0.66739757      -0.81495136 
O       3.95936582       5.65296609     -10.37232959      -0.28933866      -0.02038239      -0.27480298 
O       9.19184814       6.63795435      -5.13362187      -0.64550252       0.09728232      -0.21717243 
O       9.05667082       5.72462768     -10.44521689       0.44670609      -0.10504371       1.02996451 
O       4.00527232       1.70920855      -2.32647171      -0.09057097       0.08022721      -0.74582248 
O       3.85307144       1.03915987      -7.88198376      -0.02516992      -0.22820617       1.00047119 
O       8.97559566       1.81143389      -2.53274499       0.25394259       0.08115554       0.43490726 
O       9.05206428       0.91436431      -7.74039692      -0.26040460       0.41274944       0.06818731 
O       3.83557522       6.97478972      -2.51525007       0.18880951       0.49019784       0.15623491 
O       3.90791993       6.08617508      -7.83353081      -0.04722724       0.73236228       0.44897772 
O       8.99836703       7.03221463      -2.43855421      -0.81916969       0.04150276      -0.29257805 
O       9.12928121       6.13453366      -7.84521471      -1.25594441      -0.08150119       0.90704069 
O       1.25252679       2.70721654      -0.08010182      -0.43467995       0.78324132      -0.65399713 
O       1.14893461       1.73272921      -5.47040986      -0.32672898       0.40459543       0.46460924 
O       6.33001583       2.75344646      -0.09143909       0.48550049       0.04384898      -0.58464512 
O       6.57948495       2.06644871      -5.37785865      -0.48655492      -0.00801223      -0.22985553 
O       1.24886535       7.88845905      -0.18957336      -0.05669623       0.20352597       1.03470497 
O       1.38021728       7.11507639      -5.38038288       0.23184710      -0.20146912      -0.01466558 
O       6.42046335       8.01381299      -0.14095334       0.92474387      -0.20723923       1.12721216 
O       6.36863542       7.00879995      -5.49624686       1.38276327       0.27239564       1.10287354 
O       3.54454887       4.67467470      -0.76098107      -0.28277435       0.25988046      -0.02500312 
O       3.48006951       3.72737838      -6.06886046       0.80597571      -0.88459598       0.11460159 
O       8.61144210       4.67074173      -0.80733202       0.60628915      -0.78716606      -0.40908834 
O       8.72310692       3.83551553      -6.01016366       0.59530148      -0.11766217      -0.32090947 
O       3.49716331       9.76576434      -0.88974040      -0.26374026      -0.36930685       0.74213714 
O       3.38953907       8.88190401      -6.06559425       1.10791183      -0.92712474      -0.07821562 
O       8.69666434       9.87101721      -0.73414998      -0.10415549       0.05786863       0.08407109 
O       8.75974808       8.98483710      -6.04912618      -0.79059468      -0.00162700       0.19008298 
O       0.92899482      -0.03660406      -1.78645434      -0.70222287      -0.86484897      -0.21453207 
O       0.93108566      -0.87503481      -7.00753831      -0.01810984      -0.15340096      -0.18566451 
O       6.12005499      -0.02222949      -1.79910692       0.55998542       0.76704648      -0.11722893 
O       6.12124779      -0.81399642      -6.93062425      -0.72731801      -0.64891848      -1.18435535 
O       0.84116316       5.05946513      -1.77788397       0.96750540       0.86260311       0.27735439 
O       1.03152314       4.15607662      -7.25830509      -0.67544935      -0.28095106       0.84384846 
O       6.10648848       5.15747707      -1.79939757      -0.38088909       0.24775652       0.01768805 
O       6.18648607       4.26431143      -7.01977233      -0.40609361       0.23142294      -0.20182502 
O       1.72232086      -0.56882883      -4.43842213      -0.75231551       1.48140356       0.46106775 
O       1.64083632      -1.35919631      -9.63307308       0.87159727      -0.60651119      -0.78825297 
O       6.97293643      -0.25035314      -4.41174434       0.52248213      -0.82932753      -0.14049183 
O       6.89119671      -1.30649250      -9.75395886      -0.48991162       0.01654648       1.14574605 
O       1.42479154       5.70939822      -4.82466504       0.02637466      -0.01639805      -0.39416793 
O       1.65979570       3.73426084      -9.74493917       0.34605408       0.44173326      -0.64425612 
O       7.06827819       4.79989945      -4.27895689      -0.37787475       0.80731593      -1.10631139 
O       6.92761895       3.88832250      -9.71062316      -0.53375785      -0.43181003       1.06702736 
O       4.26291330       4.26812930      -3.38247081       0.25645729      -0.54946265       0.50673942 
O       4.26013129       3.39529432      -8.62686145       0.18772233      -0.02349356       0.04240957 
O       9.62122355       4.09049638      -3.34677260      -0.21896723       0.31126405      -0.66974345 
O       9.47754977       3.14771344      -8.75011448       0.55015125       1.42374043       0.30130669 
O       4.50354027       9.31819431      -3.51305293      -1.07411308      -0.37171803       0.20243595 
O       4.26864687       8.45522404      -8.65337774       0.41069454       0.03466280      -0.04703382 
O       9.46398617       9.32192508      -3.35522168      -0.46576544      -0.03939377      -0.58800865 
O       9.56571360       8.49100264      -8.62371579      -1.53660436      -0.81136091      -0.43359181 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01496286433641112 0.00016121077205023213 0.002806545939832004 0.00016121077205023213 -0.014548240516929656 -0.004663880107218701 0.002806545939832004 -0.004663880107218701 -0.014882510542498114" pbc="T T T" energy=-947.0217119 free_energy=-947.06212957 config_type=crystal 
Hf       2.80148952       2.23515463      -9.34756480      -0.24181590      -1.24493088      -0.60178029 
Hf       8.03798551       2.93893453      -4.08136160      -0.48935778       0.02849462      -0.44113293 
Hf       8.07208896       2.10730988      -9.42310716       0.06249672       0.22735946      -0.25469080 
Hf       2.86871338       8.08183766      -4.12515776      -0.16279427       1.03467204      -0.29957647 
Hf       2.82526169       7.22300200      -9.43373869      -0.41190410      -0.14854566       0.05339111 
Hf       7.90999246       8.18391068      -4.23631317       0.89205934       0.33070281      -0.07798817 
Hf       8.00329523       7.31129116      -9.39044793      -0.24508994      -0.92227873       0.65554412 
Hf       0.30083011       0.79465909      -3.73147528       0.32417753      -0.59315073      -0.71546826 
Hf       0.34989859      -0.07423371      -8.96606500      -1.50317295       0.14449556       0.85848464 
Hf       5.28463329       0.91635679      -3.76486084       0.18999365      -0.68384989       0.41283889 
Hf       5.37675105      -0.04702213      -8.94410660      -0.20837424      -0.23656632      -0.76174938 
Hf      10.30827037       5.93969218      -3.42181534       0.18168231       0.51265641      -0.55688893 
Hf       0.26860461       5.06789203      -9.04267034      -1.51303474       0.88257089       1.19225696 
Hf       5.38450190       5.87990579      -3.73042838       0.37837949      -0.37718169       0.28816181 
Hf       5.43730798       4.99128561      -8.98372499       0.96658819      -0.01750347       0.64433918 
Hf       2.44206075       1.23544364      -1.04222485       0.20162231       0.93950480      -0.88606833 
Hf       2.44562452       0.39107329      -6.27972260      -0.21955206       0.28382173       0.67895062 
Hf       7.51756660       1.21193818      -1.09937534      -0.97591706       1.17664208       0.90446535 
Hf       7.54450656       0.41276408      -6.39847393       0.94123244      -0.57860492       0.69717200 
Hf       2.33497141       6.39677800      -1.14788584       0.76201960       0.58091282       0.44071775 
Hf       2.62204757       5.30557198      -6.41376204      -0.58227848       0.47847462      -1.59737239 
Hf       7.47096634       6.31946911      -1.05729141       1.20783907       1.00938700      -0.37639899 
Hf       7.55726189       5.40091114      -6.34690870       0.33339368       0.35617479      -0.01132292 
Hf       4.95229326       3.52232937      -1.61697815      -1.34559937      -1.29638433       0.68979892 
Hf       4.98133705       2.47463996      -6.76139473       0.69967777       0.60361305       0.06395425 
Hf      10.22111876       3.39724912      -1.49312207       0.26037732      -0.71511938       0.30191793 
Hf      10.20246444       2.57855598      -6.75363196       0.65812512      -0.01722852      -0.06244610 
Hf       4.96835562       8.58629346      -1.49733869       1.10322031       0.14545963      -1.15293047 
Hf       4.97671835       7.70217053      -6.81736956      -0.04339969       0.04480644      -0.13232606 
Hf      10.04741433       8.71092092      -1.54296699       1.45252133      -0.40663075       0.16654660 
Hf      10.13067831       7.73847521      -6.84307332      -0.24406308      -0.20847632      -0.33194614 
O       1.23542966       2.15175840      -2.56084161      -0.04187395       1.22175799       0.85585241 
O       1.33268147       1.44975068      -7.91909168       0.77110308       0.55043760      -0.51150047 
O       6.49914625       2.39212472      -2.74966534       0.07097191      -0.18377104       0.19790435 
O       6.54611859       1.51298883      -8.06346296       0.37215061      -0.54548650       0.93852504 
O       1.28800985       7.55718606      -2.79145641      -0.32034332      -0.82306619       0.41668786 
O       1.30687769       6.62169456      -8.08756978       0.21393425       0.17014055       0.22026760 
O       6.58237532       7.48716894      -2.75365073      -1.01150968      -0.02291231       0.05907314 
O       6.48701070       6.59769581      -7.97847343       0.05267148      -0.14024951      -0.25842000 
O       4.01731997       1.37892549      -5.28135082       0.43489604      -0.75032721       0.66053425 
O       3.91422269       0.53932610     -10.28910574      -0.80473205       0.23487403      -0.45540492 
O       9.05053109       1.34927272      -5.08083143       0.45856083       0.75010040      -0.15334857 
O       9.16715924       0.56164843     -10.43373481       0.19905340       0.17039011       0.94544126 
O       3.96806696       6.54346923      -5.18512387      -0.15006822      -0.35519257       0.13419889 
O       4.07006007       5.57709847     -10.40288147      -1.48648748       0.88549859      -0.67348503 
O       9.19493634       6.65240078      -5.15158721      -0.25256234       0.08277375       0.50185991 
O       9.19282992       5.73207202     -10.40549317      -0.89523903       0.13770223      -0.03486721 
O       4.00040499       1.74968252      -2.35187924      -0.23339166      -0.22613126       0.05325801 
O       3.88793898       1.00559358      -7.77730805      -0.49582233      -0.26324820       0.05124339 
O       8.93833544       1.93879973      -2.38784384       0.81160672      -0.31241331      -1.13502633 
O       9.11920865       1.05510014      -7.80149930      -0.70058723      -0.22790231       0.37725055 
O       3.84436187       6.97548107      -2.54303577       0.17111383       0.30876379       0.28445725 
O       3.88544157       6.06188979      -7.85377646      -0.00778495       0.50070433       0.13537812 
O       8.97793233       7.10039484      -2.49400056      -0.03759648      -0.15339778       0.17571473 
O       8.97798698       6.08664853      -7.75248866       0.41277446       0.67570975      -0.05186395 
O       1.31003821       1.11991416     -10.46265143      -0.54478555      -0.54363651      -1.01460476 
O       1.21170758       1.79784942      -5.35467430      -0.85007112       0.20378457      -0.36468556 
O       6.36344993       2.83784635      -0.06744662       1.13513601      -0.32018984      -0.75253347 
O       6.52689582       2.00910287      -5.31961411      -0.44333787      -0.52708362      -0.58578652 
O       1.20630057       8.02361054      -0.15617016       1.11381357      -0.36944342      -0.53065212 
O       1.39133188       7.26156499      -5.56928484       0.58281455      -1.07256140       1.10664398 
O       6.52378122       7.95789299      -0.07984330      -0.46601167       0.24443340      -0.32839312 
O       6.41874719       6.99832030      -5.41675134       0.70159551       0.03693297       0.46945782 
O       3.39381853       4.63310701      -0.76599898       0.50966505       0.29376981      -0.25365478 
O       3.61369057       3.75472593      -6.20878422       0.30722004      -0.37896239       0.72148320 
O       8.68877977       4.71499585      -0.94224689       0.44459706      -0.63634027       0.58163093 
O       8.74113377       3.79872946      -6.04170658       0.22966409      -0.49764158       0.66396024 
O       3.52205212       9.77341671      -0.80326420      -0.10216960      -0.38325131       0.29717629 
O       3.55509637       8.87304879      -5.98478857      -0.34768964       0.41936582      -0.34096296 
O       8.72261857       9.91834869      -0.66114193      -0.05502461      -0.02909459      -0.68986378 
O       8.76317106       8.99511906      -6.13665161      -1.21844138       0.18632067       0.58575828 
O       0.99238508      -0.05808238      -1.82821947      -0.42687378      -0.28320023      -0.03051141 
O       0.95794530      -0.80663657      -6.98528263      -0.70597350      -1.48210708      -1.06788161 
O       6.14312238      -0.01928189      -1.84645426      -0.31909875      -0.43602037      -0.11779999 
O       6.01750891      -0.83992029      -7.04761253       0.56027632       0.33509883      -0.08549734 
O       1.02767530       5.10543839      -1.82335035      -1.41467363      -0.31504015      -0.96097477 
O       1.09373700       4.19989968      -7.14437899      -0.79134079      -0.30914627       0.05710278 
O       5.96398424       5.22659389      -1.69112173       0.06071808       0.60593324      -0.71985156 
O       6.23860898       4.12492165      -7.15286745      -0.27092316       0.82564973       0.29660011 
O       1.77373536      -0.47760750      -4.42610967      -0.37025985       0.18258381       0.21601526 
O       1.67751261      -1.33510262      -9.75235952       0.32849509      -0.43450451       0.38340192 
O       6.88938890      -0.42730308      -4.55270304      -0.82468391       0.61225081       0.20956816 
O       6.83573352      -1.29132980      -9.63959447       0.40664794      -0.32477020      -0.34678093 
O       1.33505721       5.83133777      -4.92105978      -0.24468997       1.12232320       0.28318379 
O       1.67271759       3.95005542      -9.75909575       1.32957321      -1.23028150      -0.26091751 
O       7.01687242       4.71888974      -4.23122805      -0.04201342       0.69873542      -1.11368038 
O       6.92545268       3.78811485      -9.73816094      -0.15262717       0.05243661       0.42423245 
O       4.36673873       4.19924694      -3.44751080       0.25583554       0.52763350       0.11627392 
O       4.30115686       3.30573032      -8.66177222       0.62516588       0.74728318      -0.15571880 
O       9.63489489       4.08897398      -3.43155285       0.38128348       0.15898421      -0.12256878 
O       9.53009048       3.38026956      -8.69033507      -0.29938749      -0.55334056      -0.11801915 
O       4.30842705       9.34633722      -3.46573362       0.35811532      -0.07002734       0.75285580 
O       4.21544908       8.46792842      -8.66584729       0.30710456       0.09199103       0.14452603 
O       9.43045202       9.42787290      -3.42400346      -0.27311061      -0.39731682       0.27026856 
O       9.45638308       8.51315810      -8.63832274       0.60674494       0.31990895      -0.16307421 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010029082712476938 -0.006373242866882808 0.0017188998168160014 -0.006373242866882808 -0.013680732707892976 -0.006383315276996957 0.0017188998168160014 -0.006383315276996957 -0.011575640187995935" pbc="T T T" energy=-946.6825379 free_energy=-946.71405186 config_type=crystal 
Hf       2.76705120       2.12021736      -9.39174297       0.40819293       0.24491300      -0.07103918 
Hf       8.03532446       2.92814506      -4.18707120      -1.01611448       0.93897428      -0.22923615 
Hf       8.12535241       2.11046400      -9.44641510      -2.04918107       0.86078804       0.39934257 
Hf       2.88176920       8.14128360      -4.07329096      -0.32097452      -0.53372396      -0.48051426 
Hf       2.75104111       7.19735440      -9.35770878       0.49568245       1.03401479      -1.28742363 
Hf       7.96680264       8.25581293      -4.21337139       0.85521014      -0.82990238       0.48385370 
Hf       8.03433301       7.24297288      -9.35536778      -1.34323091       1.04102640      -0.89106141 
Hf       0.32877117       0.90166718      -3.77942526       0.59004305      -0.97062687       0.18538968 
Hf       0.24581027      -0.07341130      -8.94879007      -0.52878060      -1.47222224      -0.65831360 
Hf       5.40927912       0.80487441      -3.70186521      -1.69284237       0.03472036      -0.73990554 
Hf       5.30741298      -0.11714272      -8.92840612       0.94867901       0.17855215      -1.20503393 
Hf      10.37865371       5.92564494      -3.45074540       0.73689848       0.50752352       0.17884628 
Hf       0.21501406       5.08727368      -8.96843152      -0.03116482      -1.32735345      -0.25013545 
Hf       5.43620473       5.79371361      -3.68333441      -0.23237778       0.69227272      -0.25450935 
Hf       5.49924151       5.02379902      -8.97612488      -0.70442291       0.11904468       0.32498069 
Hf       2.34102511       1.28849011      -1.15611976       0.51496617      -0.81626026       0.65093630 
Hf       2.49214488       0.39988880      -6.30418949      -0.76036070      -0.36551490       1.34182370 
Hf       7.45526483       1.29803390      -1.14131709       0.04592123      -0.50837996       1.07837419 
Hf       7.56321563       0.38183586      -6.35953240      -0.24352600      -0.30152581      -0.17514979 
Hf       2.38194178       6.34699896      -1.05883499       0.18405046       0.89617203       0.11207032 
Hf       2.52131345       5.33695444      -6.50669768       1.01304810       0.00391534       0.38302536 
Hf       7.59825150       6.43004215      -1.09076790      -1.15673193      -0.34845611       0.39979712 
Hf       7.57520302       5.54381150      -6.29871091       0.81279438      -0.89546199       0.36555943 
Hf       4.89499515       3.42621841      -1.59776145      -0.25055849       0.11008479       0.41177740 
Hf       5.04119938       2.54166458      -6.81543000      -1.24340812       0.40281425       1.16951813 
Hf      10.12618960       3.31290577      -1.54197269       1.00311722       0.99842804      -0.05895464 
Hf      10.18757089       2.50004231      -6.79483142       0.15067068       1.53266256       0.61473165 
Hf       4.93313418       8.60041597      -1.53204386       0.52562692       0.52487025       1.05008173 
Hf       4.94485506       7.71974000      -6.78308925       0.19766801      -0.27861586       0.72760781 
Hf      10.05359136       8.69934878      -1.57931865       1.59329028       0.53806965       0.68928690 
Hf      10.20031085       7.76245765      -6.82452634      -1.17371050      -0.65434112       0.52245004 
O       1.30516485       2.33925529      -2.67352654      -1.10438839      -0.22823846       0.46495654 
O       1.22382703       1.42618036      -8.01523503       1.26856439       0.24556326       0.33640910 
O       6.47055777       2.28265556      -2.78970207       0.50780228       1.33150884       0.28930752 
O       6.44204316       1.52406834      -8.05501219       0.83608942      -0.45622390       0.23165202 
O       1.36176443       7.50675831      -2.72151033      -0.49019002      -0.21765131       0.32902607 
O       1.27540913       6.57629022      -7.97863913       0.38937549       0.30274351      -0.15399252 
O       6.61251954       7.56316410      -2.71414774      -0.56940456      -0.36448501       0.03674078 
O       6.48160702       6.59145341      -7.90930818       0.81229897       0.43443031      -0.98465683 
O       4.15892296       1.09726955      -5.33425108      -0.11059637       0.44148010      -0.03945578 
O       3.80180094       0.56712747     -10.37868329       0.23641660      -0.18026487      -0.04444715 
O       9.12019781       1.45330847      -5.17527632       0.19453369      -0.64362770       0.06709397 
O       9.04556182       0.54474936     -10.39790461       1.01175683      -0.35120603      -0.32847025 
O       3.99187819       6.48810934      -5.22968080       0.69180558       0.25581964       0.73496820 
O       3.88261312       5.61042518     -10.29822949       0.69411736       0.42936007      -0.54450977 
O       9.32233684       6.66319885      -5.11549397      -0.89392450       0.04651465       0.03852055 
O       9.16919782       5.73507117     -10.39717408      -0.49810680       0.04468047       0.27144945 
O       3.95244713       1.73509710      -2.41957241      -0.01433000      -0.21029463       0.29864765 
O       3.80252566       1.00738733      -7.81646032      -0.00305718       0.34195511      -0.25520307 
O       8.91162344       1.89447385      -2.56162548       1.35900390      -0.17418748       0.31047471 
O       9.04022578       1.00730313      -7.77579597      -0.48002394      -0.30512548       0.08448600 
O       3.93703634       7.07245293      -2.50200316      -0.57820342      -1.03114143       0.12323838 
O       3.90163474       6.20110772      -7.82748909      -0.42880119      -0.63809718       0.19438761 
O       9.03681330       7.07136706      -2.49354389      -0.26859899       0.05524654       0.22956233 
O       9.07107156       6.15179299      -7.72809150      -0.41608475      -0.19875234      -0.47402532 
O       1.18382231       2.79703505      -0.09395524       0.12128108       0.18108287       0.07467100 
O       1.22426965       1.88220443      -5.43854258      -0.10079589      -1.07062810      -0.18943348 
O       6.34089427       2.81199347      -0.14133630       0.23868927       0.56645451      -0.28379342 
O       6.45942976       2.01759114      -5.37908501       1.09504483      -0.58098641       0.15348580 
O       1.24952358       7.90712150      -0.11455025      -0.06902672       0.08961559       0.37458908 
O       1.40996147       7.06249755      -5.37813240       0.71605946      -0.09567549      -0.12855180 
O       6.50088153       8.00294522      -0.08953418      -0.76684522      -0.29583138       0.06777798 
O       6.54493929       7.12585581      -5.36457551      -0.26859927      -0.42507251       0.14392040 
O       3.62809173       4.78384423      -0.64998432      -0.26088098      -0.75053672      -0.21628578 
O       3.51323076       3.73404843      -6.05087369       0.78924377      -0.47405980      -0.35124396 
O       8.66659795       4.69778840      -0.80894869       0.64684243      -0.51556466      -0.59364128 
O       8.69616966       3.80113343      -5.96515238       0.76484270      -0.13382965      -1.08646742 
O       3.46580041       9.77566521      -0.64015325       0.50205426       0.09045221      -1.21869369 
O       3.44712261       8.80610810      -5.98136328       0.07803568       0.82144563      -0.26946578 
O       8.56907609       9.82933002      -0.76589366       0.74719029      -0.19459517      -0.18478362 
O       8.69420912       8.93932167      -6.09306651      -0.33766970       0.49258353       0.19742719 
O       0.89056008      -0.01100730      -1.77351951      -0.02261638       0.40787220      -0.56271454 
O       0.99790295      -0.98953653      -7.00387675       0.21940561       1.17127751      -0.79262198 
O       6.10740958      -0.00277377      -1.79149725      -0.66129124      -0.53111516      -0.60827906 
O       6.10840996      -0.87908706      -7.03929733      -0.18401027       0.51115164      -0.57917151 
O       0.98515977       5.09211111      -1.72375272      -1.29419655      -0.53379214      -0.95635938 
O       0.96195003       4.23175872      -7.05467984      -0.82293114      -0.34672086      -0.38296410 
O       6.08973050       5.16331359      -1.81041132       0.51066512       0.39521765       0.40486259 
O       6.21129715       4.26940964      -7.04480824      -0.84159162      -0.21501129      -0.33601125 
O       1.76116612      -0.45556013      -4.37719133      -0.45405517       0.76728191      -0.19020294 
O       1.61147730      -1.33837040      -9.73482333      -0.12723939       0.01484362       0.50364351 
O       6.92667645      -0.37269175      -4.43917754      -0.14897562       0.61359926      -0.41875666 
O       6.85040389      -1.18276952      -9.78570265      -0.25761179      -1.47243646       1.63634135 
O       1.58806277       5.71733752      -4.70697228      -0.29578430       0.00547956      -0.08414125 
O       1.67338777       3.78805552      -9.63252526      -0.17211446       0.75842889      -0.50631721 
O       7.03855748       4.71983685      -4.33841172      -0.77175673       0.91853936      -0.48642931 
O       7.09257039       3.96303124      -9.61179627      -0.60148701      -0.58363881      -0.37768343 
O       4.27102438       4.21928697      -3.35581665       0.31419961       0.55649666      -0.15318105 
O       4.18101356       3.43661889      -8.58226578       0.71781658      -0.22320553       0.05363051 
O       9.56384034       4.16764733      -3.45262889       0.04244660      -0.68537705       0.59136216 
O       9.59131997       3.27810967      -8.74143628      -0.09600713       0.25200339       0.44148436 
O       4.28138464       9.36100599      -3.36981162       0.59272894       0.37450283       0.30306983 
O       4.16071207       8.53957122      -8.57100212       0.19353736      -0.04302472      -0.14225608 
O       9.50368406       9.42786263      -3.42623073      -0.24931773      -0.04801247      -0.22209536 
O       9.35433594       8.56159036      -8.64091239       0.98102171      -0.10464034       0.41545840 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015643226242738097 0.00040637427331507346 0.005922188369758042 0.00040637427331507346 -0.017325913516413237 -0.0006511464381992311 0.005922188369758042 -0.0006511464381992311 -0.008540041673537821" pbc="T T T" energy=-946.54553868 free_energy=-946.58519461 config_type=crystal 
Hf       2.78444154       2.14036953      -9.40890334       0.33321527      -1.60167953       0.23503152 
Hf       8.02542874       2.95227468      -4.19557636      -0.39893471      -0.17081068       0.53183877 
Hf       8.04566758       2.12792933      -9.36197034      -0.24193565      -0.61059005      -0.84666392 
Hf       2.77760639       8.05329444      -4.01168151       2.16821559       1.20718471      -1.53914034 
Hf       2.74328538       7.28108216      -9.51726349       0.37130631       0.12601323       0.30720171 
Hf       7.93893660       8.25621006      -4.27954124       0.40288764      -0.46757694       0.60888620 
Hf       8.03053484       7.24633097      -9.36562339      -0.84690804       0.25349226      -0.28141939 
Hf       0.34123474       0.83543782      -3.76236118      -0.91102446       0.34000283       0.65088025 
Hf       0.24911782      -0.08981802      -8.99649622      -0.29474300       0.53795892       0.38271465 
Hf       5.27334434       0.88447801      -3.74535590       0.35212953      -0.78065855      -0.18250356 
Hf       5.30516254      -0.14935258      -8.94931573       0.79863791       0.87933291       0.06668569 
Hf      10.33552609       5.93355965      -3.43670885      -1.12841152       1.04054137      -0.25055483 
Hf       0.25203905       5.01572278      -8.94803823      -0.55716468       0.72331577      -1.26763231 
Hf       5.47945984       5.94715183      -3.65852373      -0.47182333      -0.67315367      -0.51731204 
Hf       5.38996241       4.95669631      -8.96756889       0.59914107       1.42387337       0.09069386 
Hf       2.43428382       1.24370748      -1.18337781      -0.51078383       1.31093247       0.55428778 
Hf       2.40656719       0.43626968      -6.20704396       0.27125113      -0.50174565      -0.72467643 
Hf       7.46933350       1.23079314      -1.14997010       0.11630078       0.84442710       0.74018628 
Hf       7.57364084       0.38924067      -6.36364401       0.49500755      -0.15220770      -0.10747528 
Hf       2.36633368       6.31918081      -1.10341554       0.22945078       1.01727007       0.07549147 
Hf       2.60325870       5.28313101      -6.45690874       0.83237160       0.54499061      -0.72926830 
Hf       7.55398136       6.44226006      -0.99267847      -0.37984616      -1.02351397      -0.82623053 
Hf       7.63813060       5.42970222      -6.35991347      -0.98080201       1.11609363       0.37115671 
Hf       4.82440847       3.46428267      -1.58880382       1.75962955      -0.36131486      -0.01677533 
Hf       5.00271654       2.50098747      -6.75518678      -0.01350702      -0.16167912      -0.85240926 
Hf      10.17097769       3.39665669      -1.47900467      -0.45055008      -0.95521757       0.10350400 
Hf      10.30166817       2.61659475      -6.77829206      -1.02239495      -1.66801290       0.55106610 
Hf       5.01479099       8.62890114      -1.46265746      -0.47509083      -0.47255579      -1.26493667 
Hf       4.93632047       7.68633972      -6.79604372       1.12348255      -0.03920527       0.61782298 
Hf      10.16797396       8.75710747      -1.56881806      -0.72200863      -0.66905150       0.03185439 
Hf      10.23717727       7.74166470      -6.86935071      -1.24290737      -0.37569744       0.13701827 
O       1.17321091       2.27946953      -2.53885171       0.13925964      -0.03992916      -0.30189477 
O       1.35155918       1.58131277      -7.96279963       0.79143046      -0.82960117      -0.07697889 
O       6.51175550       2.37316347      -2.81192845      -0.18324693      -0.09463515       0.20530425 
O       6.58798816       1.39744483      -7.95927584       0.29090382       0.27181972      -0.54866055 
O       1.22996520       7.59634915      -2.78385965      -0.29038726      -1.22789649       0.68501452 
O       1.37373093       6.59731280      -8.03212533       0.16089795       0.15879859      -0.14115839 
O       6.45176713       7.58042032      -2.71656550       0.65950263      -0.45428811      -0.32773983 
O       6.50964492       6.56062334      -7.97746201       0.88895989       0.46765459      -0.58443208 
O       4.01452893       1.31147738      -5.28684147       0.18331657      -0.35930004       0.35403877 
O       3.92712681       0.56425995     -10.39615437      -0.39736419      -0.17069805       0.19472824 
O       9.15849560       1.46706595      -5.10623434      -0.51523262      -0.28445911      -0.29149500 
O       9.09061851       0.50889059     -10.36039883       0.45610515       0.41071309       0.20973487 
O       4.02895918       6.59427201      -5.09570677      -0.07608698      -0.32064056      -0.31131438 
O       3.89965123       5.76420726     -10.43316211       0.33191180      -0.99439215       0.47790314 
O       9.21388928       6.66788420      -5.10814661       0.50305387      -0.05306251      -0.09003244 
O       9.08222502       5.57675995     -10.38494353       0.51037958       1.14967950       0.73133334 
O       3.97767424       1.76506456      -2.43271221      -0.32128603      -0.06763280      -0.08719834 
O       3.83537843       0.93882488      -7.78032634      -0.14879217       0.50374124      -0.25435730 
O       8.96712289       1.87030328      -2.48580706       0.20992603       0.34042788      -0.12895665 
O       9.26857808       0.98290584      -7.69500730      -1.83142325       0.14144635      -0.35186750 
O       3.84679694       7.02660520      -2.46405825      -0.65706651      -0.40413259       0.26051123 
O       3.99375000       6.03569160      -7.81994526      -1.68900208       0.31529193       0.68988839 
O       8.91414839       7.06206752      -2.46117657       0.85150386       0.32878082      -0.57660768 
O       9.03950730       6.18882567      -7.75383893       0.54112874      -0.47284540      -0.23871992 
O       1.25740451       2.85310206      -0.04237931      -0.37518262       0.10663610      -0.01753537 
O       1.19616796       1.89175592      -5.32972617       0.52025724      -0.39064074      -0.45754331 
O       6.45252022       2.70966204      -0.02509125      -0.27045753       0.41626837      -0.83580344 
O       6.49106478       2.02290539      -5.47543554       0.59658666      -0.27156659       1.21958670 
O       1.21408716       7.98765676      -0.19312728       0.19518569      -0.70376535       0.68995184 
O       1.46847608       7.04954981      -5.48764657       0.31898838      -0.27656122       0.48113938 
O       6.52360771       8.00326832      -0.08854146      -0.70855768      -0.11910438       0.28905239 
O       6.55502547       7.10545662      -5.46220680      -0.12737507      -0.25492610       0.89287560 
O       3.28369491       4.53539591      -0.94471632      -0.11675292       0.86399322       0.94644820 
O       3.67523852       3.75927512      -6.09458805      -0.91487840       0.49657369       0.07510538 
O       8.63809290       4.70198891      -0.78931060       0.43003224      -0.66957478      -0.00379559 
O       8.78119594       3.79809348      -6.08806991      -0.18809395      -0.05780347       0.19692703 
O       3.46683601       9.81977694      -0.88208736       0.30464171      -0.38888446       0.51648400 
O       3.47276097       8.84843666      -6.04349819      -0.93792364       0.48780823       0.27216007 
O       8.65974700       9.92109394      -0.80589690       0.47200794      -1.27897688       0.24057828 
O       8.63239517       8.91920632      -6.19991616      -0.00762368      -0.24852482       0.20019876 
O       1.08698019      -0.09901342      -1.87562384      -0.81813201       0.21752469      -0.50979075 
O       0.80450111      -0.84598413      -7.02505685       1.24400806       0.55012646      -0.35841842 
O       6.04902548      -0.00127803      -1.86783135       0.64268884       0.73012939       0.41114711 
O       5.89555490      -0.77063304      -6.88202944       0.52203018      -0.26202608      -0.97520751 
O       0.89734546       5.11347605      -1.79430248      -0.48383633       0.55747291      -0.38500105 
O       0.97644075       4.27264928      -7.15146657       0.66668534       0.53273416       0.87415449 
O       5.99417293       5.18599638      -1.68810912       0.39938749       0.51152654      -0.40400902 
O       6.10642801       4.33947203      -7.03703519      -0.33656511      -1.25386872      -0.60462036 
O       1.70176345      -0.50939740      -4.44084797       0.28797651       0.35859107      -0.17834928 
O       1.71640909      -1.25849494      -9.80999922       0.26494531      -0.56801584       0.60967675 
O       6.92446550      -0.32381639      -4.47907147      -0.19828309       0.33717177       0.12919966 
O       6.81124037      -1.37601218      -9.56493667       0.76620461      -0.39418713      -0.42300753 
O       1.58561440       5.73126171      -4.70835605      -0.51953657       0.31345393       0.06286467 
O       1.76383985       3.84056763      -9.64569583      -0.11100146       1.17375527      -0.80373079 
O       6.93944269       4.69952721      -4.42346394      -0.01248969       0.74797252      -0.12993698 
O       6.82583427       3.76283447      -9.70052779       0.99791448      -0.09283866       0.33136312 
O       4.31926776       4.29977277      -3.34452505       0.24366287       0.49414106      -0.37780202 
O       4.37325844       3.25851995      -8.82600652      -0.30481010      -0.38051288       0.78272784 
O       9.50937639       4.17945213      -3.46900770       0.26465657      -0.39218040       0.54014964 
O       9.60691570       3.29234488      -8.72681894      -0.62273257       0.12896475       0.10507379 
O       4.35171021       9.29236687      -3.41158084      -0.67706790       0.29756291      -0.38514833 
O       4.27493237       8.40832932      -8.69444773      -0.44219647      -0.18830299      -0.04407991 
O       9.52375292       9.40847220      -3.47999341      -0.32522790      -0.35434169       0.16569001 
O       9.67165627       8.37355744      -8.84471499      -0.28078722       0.09968857       0.74633320 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014173700524141365 -0.0010380287531405728 3.89264886219965e-05 -0.0010380287531405728 -0.01986584929950315 0.0003570250511547097 3.89264886219965e-05 0.0003570250511547097 -0.013639985252741994" pbc="T T T" energy=-947.29042424 free_energy=-947.32670591 config_type=crystal 
Hf       2.74568865       2.13483992      -9.41024909       1.13041367      -0.52457003       0.60556920 
Hf       7.98090030       3.04071087      -4.17711003       1.20015272      -1.92184216      -0.06510334 
Hf       7.99838914       2.14394606      -9.49785946       0.04601035      -1.36109324       0.38268909 
Hf       2.84880412       8.18629654      -4.15403563       0.68405647      -0.33118736       0.33423027 
Hf       2.79587430       7.35699889      -9.42247891       0.21180879      -1.07050283       0.58359314 
Hf       7.96959493       8.24445478      -4.11743668       0.46645321      -0.08589548      -0.84516437 
Hf       8.03736064       7.34985009      -9.40472736      -0.40975982      -0.45370960      -0.58543129 
Hf       0.27219736       0.85700627      -3.78404268       0.07749069       0.68267959       0.12332976 
Hf       0.23631084      -0.06302138      -8.92953262      -0.14434619      -0.19181231      -0.04510614 
Hf       5.32038910       0.81947160      -3.69101863       0.33095143       0.49706499      -0.63288048 
Hf       5.36123221      -0.11564682      -8.94564577       0.85124512       0.39767081      -0.65829240 
Hf      10.31856591       5.89998083      -3.45444917       0.46566667       0.89802538       0.10343544 
Hf       0.13242067       5.08277394      -8.96653480       0.98296249      -0.41361779      -0.72975098 
Hf       5.42039663       5.92730266      -3.67060843      -0.60827059      -0.14789289      -0.57207623 
Hf       5.42829159       5.01178494      -8.97540443       0.31395639       0.25279688       0.40539552 
Hf       2.36760722       1.25947259      -1.15983319       0.04986372       0.40938208       0.92007785 
Hf       2.41729049       0.49338038      -6.27602482       0.44242705      -0.62109545       0.42828593 
Hf       7.49992326       1.28211258      -1.16361823       1.44509784      -0.20368884       0.88217082 
Hf       7.59659404       0.33105166      -6.34731634       0.06324659       0.29401529      -0.46739219 
Hf       2.37918482       6.29417992      -1.11793470      -0.30516848       0.86196260       0.21638845 
Hf       2.53246026       5.18532600      -6.51092112       0.37847469       0.97076541      -0.40157567 
Hf       7.55444799       6.39826313      -1.07102523      -0.78301048      -0.17033623      -0.30595601 
Hf       7.59141302       5.47568353      -6.25015600       0.56046392      -0.42166000      -1.67977027 
Hf       4.94643064       3.40857249      -1.54601447      -0.58775818       0.36158279      -0.58387430 
Hf       5.03466565       2.47128790      -6.70035913       0.47941827       0.12233396      -0.81803597 
Hf      10.18776030       3.32237580      -1.52956278       0.43657968       0.15331704       0.06544706 
Hf      10.14601179       2.52648670      -6.83182698      -0.18519369      -0.07066766       1.23761376 
Hf       4.95926765       8.64497825      -1.50345528       0.02429161      -0.87427223       0.42443983 
Hf       5.04930786       7.69354409      -6.73828535      -0.95466058       0.01462040      -0.70568825 
Hf      10.23867898       8.67233244      -1.52591740      -0.81968963      -0.07182986      -0.43023275 
Hf      10.21185280       7.71066084      -6.83886825      -0.05528257       0.57801309       0.24620244 
O       1.20532139       2.32996271      -2.63612850       0.42335383      -0.48771972       0.53612408 
O       1.29574034       1.45904492      -7.91500306       0.77368762       0.37987043      -0.66463196 
O       6.54009212       2.33129577      -2.84278841      -0.48310705       0.24744683       1.21023114 
O       6.59202499       1.44872022      -8.01769133      -0.22324823      -0.13852627       0.06571484 
O       1.26907281       7.39186101      -2.68616168       0.31406867       0.97611121      -0.77293107 
O       1.38898284       6.52750020      -8.04316050      -0.70584972       0.11228960       0.11733299 
O       6.39056455       7.53188331      -2.74550112       1.32514314       0.31781097       0.12205443 
O       6.61928373       6.60095481      -7.99342595      -0.73156107      -0.32369994       0.34539307 
O       4.07099156       1.31923398      -5.17497065      -0.36126162      -0.66191790      -0.54129126 
O       3.97089613       0.51201105     -10.37892228      -0.73930588       0.09064949       0.58800171 
O       9.08561288       1.48586235      -5.19554192       0.27850499      -0.57696228       0.17731262 
O       9.21934470       0.46635245     -10.42410126      -0.81788989       0.97618434      -0.10168931 
O       4.03737366       6.56576996      -5.15117044      -0.13497233       0.12497037       0.19928662 
O       3.98033437       5.78754114     -10.37387014      -0.29288830      -1.03419886       0.27364556 
O       9.22318974       6.59961050      -5.04435135      -0.45698370       0.45551204      -1.08192719 
O       9.09460121       5.73270696     -10.43526937       0.15359580      -0.32743972       0.56337560 
O       3.97822015       1.72475213      -2.28071037       0.35536431      -0.15869566      -1.17600201 
O       3.93341429       0.95600430      -7.77571322      -0.95167304       0.30087582       0.28473747 
O       9.01547236       1.84509583      -2.54359272      -0.19577376       0.06855742      -0.04171392 
O       9.06042036       0.97115807      -7.80720637       0.13093518       0.11756113       0.09569556 
O       3.84858522       6.97779764      -2.45450187      -0.10790094       0.40443357      -0.43596953 
O       3.88235097       6.12653693      -7.75982983       0.78558118      -0.16657165      -0.05108621 
O       8.90001104       7.06864410      -2.50505652       0.62436231       0.44178957       0.03018143 
O       9.12783343       6.20293114      -7.78341960      -0.29584973      -0.53929603       0.41771336 
O       1.30101164       0.98934006     -10.49198964      -0.23368758       0.62175978      -0.90352787 
O       1.19942428       1.86713550      -5.38107603      -0.72976916      -0.14277433      -0.48652078 
O       6.43182462       2.85036410      -0.17570167       0.64438673      -0.39275887       0.13508374 
O       6.53546896       1.91513706      -5.33328597      -0.24139380       0.15769345      -0.54343137 
O       1.20212793       7.94902512      -0.17352500       0.70529060      -0.27198955       0.80295067 
O       1.49496053       7.04815012      -5.45152361      -0.30981918      -0.04920048      -0.07956083 
O       6.47917029       7.88601373      -0.13190929      -0.44045993       0.83104561       0.38584318 
O       6.52549375       7.06720391      -5.36657209       0.31242608       0.03656913       0.35557671 
O       3.44345255       4.55223561      -0.72438821       0.32852191       0.91662172      -0.90719467 
O       3.50943227       3.58885686      -6.13638132       0.02176366       0.47500100      -0.00734585 
O       8.60162328       4.64522799      -0.95609580       0.79889117      -0.58471389       0.50445718 
O       8.78929060       3.83997905      -5.98164617      -0.08057452       0.25459301      -0.47932072 
O       3.41856769       9.77774224      -0.74462788       0.14986739       0.63308375      -1.23290536 
O       3.51034620       8.91066394      -6.06912308       0.09977783      -0.16897757       0.51689266 
O       8.76812121       9.89799551      -0.73422810      -0.17925391      -0.17074925      -0.84587297 
O       8.73138621       8.88005441      -6.06340918      -0.33626997       0.18794519       0.10914199 
O       0.96042578      -0.02058967      -1.87616504       0.14461863       0.12245677       0.07301859 
O       1.01425467      -0.89660051      -7.04223865      -0.58205449      -0.53616406       0.01303618 
O       6.11326441       0.02826052      -1.77112181      -0.35385991      -0.56832710      -0.38901998 
O       6.09790236      -0.86928808      -7.10829940       0.19870316      -0.18792084       0.44283251 
O       0.93042068       5.09004877      -1.84223817      -0.31554207      -0.68451721       0.38241178 
O       0.93123331       4.15507298      -7.14400118       0.07777832       0.57106865      -0.33595487 
O       6.09509210       5.12491874      -1.84193712       0.19276748       0.35974635       0.39976002 
O       6.25583786       4.13415836      -7.11319582      -0.26123180       1.21611835       0.26679813 
O       1.80244209      -0.38485782      -4.38735705       0.04441671      -0.40346360      -0.29739152 
O       1.65319786      -1.27703944      -9.67299168       0.55423212      -0.69448540      -0.44622546 
O       6.85127013      -0.41125552      -4.53393629       0.15357209      -0.35856521       0.82394280 
O       6.92595681      -1.27739816      -9.74318032      -0.48267533       0.22543980       0.27214378 
O       1.51046929       5.68566656      -4.79640671      -0.23873896       0.28060553       0.13137792 
O       1.67053168       3.81514475      -9.77590991      -0.41785961       0.32471573       0.82013801 
O       6.98998524       4.70943462      -4.43601897      -1.12311558       1.52716228       0.19755685 
O       6.91990197       3.78248844      -9.74835953      -0.84006749       0.68795058       0.15981835 
O       4.40129083       4.24578684      -3.39855340      -0.09504923      -0.25975051       0.38524424 
O       4.34433051       3.30956045      -8.66400906      -0.45159351       0.14376309      -0.16052501 
O       9.62927104       4.10353609      -3.47503567      -0.53410999      -0.62389619       0.29076713 
O       9.37310226       3.38361348      -8.70068529       0.67979442       0.00448241       0.16604679 
O       4.37712217       9.31801566      -3.40752048      -0.67326629      -0.28642453       0.05053042 
O       4.36559404       8.42560239      -8.70977901      -0.18332652      -0.14688180       0.42377431 
O       9.60569671       9.38204373      -3.52350658      -0.97776306      -0.79780255       0.47452447 
O       9.48489238       8.53230581      -8.68242404       0.49101752      -0.30948550       0.93365778 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013261707138998591 -0.002975145273072256 0.0009527404033881158 -0.002975145273072256 -0.021130028319284788 -0.0022341316890597835 0.0009527404033881158 -0.0022341316890597835 -0.01871616476654557" pbc="T T T" energy=-947.07812192 free_energy=-947.11210987 config_type=crystal 
Hf       2.77599309       2.05285502      -9.38931061       0.41278083       0.91285330       0.65593057 
Hf       8.03918341       2.96854356      -4.18686529      -0.71696794       0.35774551       0.36400382 
Hf       8.06989484       2.09723102      -9.36307500      -0.59748887       0.61830983      -0.44901987 
Hf       2.90677979       8.15923444      -4.09155778      -0.15035186       0.39849963      -0.88460747 
Hf       2.87623377       7.31348343      -9.47695563      -0.64019078      -0.14667682      -0.28367812 
Hf       7.96826445       8.12831156      -4.13731953       0.58284107       0.92557756       0.13430960 
Hf       7.98457784       7.28408153      -9.41250892      -0.07541102      -1.24901806      -0.21837995 
Hf       0.30081307       0.83406140      -3.66301200      -0.32327462      -1.01141577      -1.49056201 
Hf       0.18516191      -0.09594906      -8.97948013       0.52898229      -0.67182841       0.25396375 
Hf       5.34409944       0.90063029      -3.73514251      -0.20661037      -0.71593241       0.39533764 
Hf       5.40742424      -0.01893913      -9.05347008      -0.35777072      -0.11734977       0.26536652 
Hf      10.36738637       5.90063594      -3.42608677       0.10321580       0.86849342      -0.47454507 
Hf       0.32240036       5.03924691      -8.93598943      -1.68617971       0.26302463      -0.55219148 
Hf       5.31556541       5.91627762      -3.72777267       2.12533939      -0.19040049       0.90491928 
Hf       5.42037315       4.98802385      -9.04070631      -0.19802535       0.11259173       0.79744349 
Hf       2.35435159       1.29391127      -1.16474368      -0.37242124      -0.23109552       0.22714794 
Hf       2.36886102       0.38528622      -6.28289598       1.35977829      -0.43127150      -0.49104759 
Hf       7.53464575       1.16110962      -1.13960770       0.01517992       0.58049351       0.55329411 
Hf       7.50410857       0.38226024      -6.23847042       0.64658244      -1.10179251      -1.74164530 
Hf       2.40008271       6.31145973      -1.13312212      -0.45124424       0.54111349       0.70583536 
Hf       2.50743378       5.40176285      -6.54039164      -0.12824490       1.25827690      -0.50319800 
Hf       7.54917616       6.35356580      -1.01871257      -0.28083736       0.36791512      -0.35375309 
Hf       7.59921208       5.53121561      -6.28182293       0.43431082      -1.34170995      -1.27045717 
Hf       4.92344274       3.47621822      -1.62632115       0.02243427       0.29045060       0.40286988 
Hf       4.96257467       2.62271621      -6.71846466      -0.64490393      -0.70635264      -0.25766286 
Hf      10.12708909       3.30025755      -1.54942012       0.69480684       1.01312877       0.65207958 
Hf      10.14603205       2.49964492      -6.68493356       1.06663553       0.41642520      -0.98748404 
Hf       4.97993748       8.66440270      -1.56126467       0.46269110      -0.83611844       0.70004727 
Hf       5.06277452       7.73542527      -6.84534428      -0.31268984       0.19637391      -0.20313107 
Hf      10.23309514       8.59108857      -1.49765602      -0.69475949      -0.35372341       0.00096282 
Hf      10.11000360       7.78566781      -6.79251877      -0.53109840      -0.81263369      -0.47301607 
O       1.26525646       2.30214168      -2.71950545      -0.31895956       0.15466660       1.33828011 
O       1.33235439       1.41102688      -7.93135037      -0.22111045       0.01782067      -0.85131706 
O       6.58168852       2.35768427      -2.76945012      -0.63905245       0.38450477      -0.12047642 
O       6.47468272       1.51348671      -8.12451536       0.64726670       0.27551665       1.21447459 
O       1.29142119       7.52676682      -2.76399192       0.13522929      -0.36870515       0.26073830 
O       1.40362391       6.62561554      -8.15260652       0.01297774      -0.16908297       1.22185970 
O       6.57781980       7.55867550      -2.72311608      -0.85912212      -0.16369386      -0.12789521 
O       6.50863103       6.48580935      -8.06731457       0.86842332       1.03804785       0.68563777 
O       4.07062260       1.26837896      -5.22716769      -0.59517455       0.27063681      -0.72476733 
O       3.82548250       0.56046080     -10.37212231       0.33413600      -0.08486781      -0.08534384 
O       9.09331074       1.41329670      -5.10073130       0.26307076      -0.08865680       0.23523453 
O       9.04037312       0.48789482     -10.33977106       0.92770456       0.04273782      -0.37946441 
O       4.11793616       6.59415804      -5.16482404      -1.15270443       0.84202991      -0.87942661 
O       3.99545297       5.72376824     -10.42259926      -0.64690431      -0.02552662      -0.29851375 
O       9.26356559       6.56035322      -5.16665650      -0.22955795       0.49569707       0.93234765 
O       9.14742651       5.68710721     -10.32069013       0.23338252      -0.28999520       0.04975840 
O       3.92546156       1.77809435      -2.33741657       1.07330173       0.31921069      -1.10538319 
O       3.85214971       0.97747777      -7.79495114      -0.16912742       0.32949677       0.00917800 
O       9.01716297       1.82625517      -2.50462148       0.24421921       0.00533128      -0.10999961 
O       9.05896053       0.99748517      -7.70297840      -0.30257026      -0.45539064      -0.02145624 
O       3.83860170       7.02890620      -2.50989981       0.12229691       0.36817032      -0.13530338 
O       3.95722978       6.16538031      -7.84886859      -0.49811039       0.18315605       0.23024331 
O       9.00036622       6.97943328      -2.45065425       0.19811636       0.44924168      -0.02890256 
O       9.13170984       6.16137712      -7.69582824      -0.81738849      -0.06374262      -0.08716987 
O       1.25732565       2.87278296      -0.13089410      -0.66540908      -0.38439956       0.51542088 
O       1.20948987       1.74683795      -5.39795425      -1.16515435       0.81257588       0.01382656 
O       6.43227307       2.77098603      -0.18008577      -0.21986049       0.14878796      -0.34132164 
O       6.50038675       1.87430276      -5.33730245      -0.41088933       1.51281769       0.03755255 
O       1.34558175       7.94712552      -0.14330873      -0.25956924      -0.38095494      -0.68709338 
O       1.50592063       7.16529387      -5.44865874      -0.33227341      -0.19510910      -0.45644454 
O       6.45186178       7.91895311      -0.10113512       0.19987127       0.25921379      -0.31368585 
O       6.62692184       7.14704764      -5.46208468      -0.73204400      -0.18482348      -0.07554575 
O       3.54953653       4.70652425      -0.71322409      -0.04458928      -0.19187788       0.03698008 
O       3.53997268       3.91569188      -6.09953162       1.06262574      -1.73749077       0.44354538 
O       8.70797626       4.68564470      -0.77176916       0.41992736      -0.87677284      -0.26293233 
O       8.70822583       3.72177870      -6.02761112      -0.48835159       0.79508057       0.12239284 
O       3.50282373       9.89773429      -0.87817988      -0.14240358      -0.76370887       0.57789276 
O       3.61127846       8.92307782      -6.10411869      -0.69117658      -0.24641479       0.85805923 
O       8.68112971       9.71091775      -0.77889811      -0.38602157       1.02263825      -0.47786354 
O       8.62239628       8.94877000      -6.00768920       1.00699983      -0.44256104      -0.74685615 
O       0.89160264      -0.08122195      -1.87284223       0.99187581       1.19337542       0.23154824 
O       0.98775371      -1.02797650      -7.15794753       0.19320836       1.12986998       0.25395582 
O       6.08902822       0.03414201      -1.84744825       0.00969578      -0.23565278      -0.15302694 
O       6.03679901      -0.76354262      -7.13897707       0.62337825      -0.53043232       0.12941475 
O       0.87997112       5.05503058      -1.82285399       0.71716983       0.49677909       0.21923013 
O       0.91199994       4.29653468      -7.06429681       0.13395788      -0.42969325       0.34484379 
O       6.02885625       5.27266953      -1.78853178       0.17677525      -0.71517489       0.00641013 
O       6.12536775       4.25872685      -7.04419491       0.48698045       0.27569233       0.03783168 
O       1.76974871      -0.42750260      -4.44791203       0.01697109      -0.95688662       0.41052886 
O       1.51157056      -1.38673450      -9.80457745       0.90362258       0.49044988      -0.24192117 
O       6.87396991      -0.43990049      -4.46674053      -0.62962208       0.23234869       0.61566922 
O       6.83555429      -1.32172207      -9.78952025       0.29478644      -0.49366097       0.56910901 
O       1.56262805       5.83509055      -4.73414874       0.33949083       0.07899147      -0.30501210 
O       1.74101092       3.88242165      -9.70091820       0.61750679      -0.98214190      -0.18654333 
O       6.94291419       4.74068774      -4.41486722      -0.20766635       0.33039912      -0.12839776 
O       6.81646586       3.72502913      -9.76201722       0.45881144      -0.02309441       0.53419336 
O       4.22296978       4.39416605      -3.32437842      -0.04797081      -1.09910756       0.10026381 
O       4.27395434       3.32418674      -8.56004581      -0.60573010       0.05152908      -0.85635742 
O       9.56873240       4.14226350      -3.46283661      -0.56939185      -1.16874125       0.21820951 
O       9.55410702       3.29468971      -8.64258849      -0.29856180      -0.10135799      -0.03440943 
O       4.32858682       9.38411882      -3.38228915      -0.18548809      -0.11875078      -0.60425283 
O       4.33125619       8.50788085      -8.78531696       0.07785042      -0.11320200       0.58704099 
O       9.45788873       9.35056066      -3.42085632       0.19515449      -0.20270810       0.21087356 
O       9.45301568       8.43595511      -8.74077915       0.48536999       1.04413144       1.21826033 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013760870938805302 -0.005362389781789532 0.0012686154470192604 -0.005362389781789532 -0.012124361732541392 -0.0007901851166495314 0.0012686154470192604 -0.0007901851166495314 -0.01975600717740794" pbc="T T T" energy=-946.75161846 free_energy=-946.78543464 config_type=crystal 
Hf       2.80982836       2.12272487      -9.42467532       0.10486057       0.41947566       0.39603606 
Hf       7.90022589       2.93738076      -4.13010731       1.25208388       0.27858352      -0.58884455 
Hf       8.02430607       2.12334806      -9.39965358       0.42415043       0.12178843       0.22648493 
Hf       2.78197967       8.16434342      -4.08698435       1.28468335      -0.13793995      -1.17127935 
Hf       2.90690114       7.32002331      -9.45795566      -0.21923996      -0.58421616      -0.01184236 
Hf       7.98436224       8.25528675      -4.12384676       0.00157740      -0.62270734      -0.53979227 
Hf       7.97396426       7.31196294      -9.36742099      -0.01092546      -0.81324932      -1.45968708 
Hf       0.34665785       0.80342800      -3.65332185      -0.00945143       0.78640018      -1.21879495 
Hf       0.17295768      -0.14613971      -8.88188801       0.72104210       1.04616918      -0.35314134 
Hf       5.26390019       0.81596353      -3.71262841       0.61706331       0.19628575      -0.00423895 
Hf       5.43344227      -0.06027853      -9.02357639       0.46790184       0.41496046       0.35501953 
Hf      10.27952573       5.92628155      -3.58528289       0.51277922       0.43346382       1.27034593 
Hf       0.28558048       5.01608733      -8.90644940      -0.47720594      -0.10673204      -0.84867395 
Hf       5.38307521       5.94947294      -3.72921514       0.05484349       0.18163377      -1.00138441 
Hf       5.42383478       5.02880917      -8.98264595       0.20947337       0.11922320       0.07822481 
Hf       2.43129994       1.31609418      -1.03551592       0.11272373       0.34536976      -0.79331077 
Hf       2.43836565       0.34580050      -6.36892171      -0.43391987       0.89859561       0.57547906 
Hf       7.52871310       1.29637357      -1.16096557       0.51080399      -0.63439361       0.47548935 
Hf       7.57740524       0.39602412      -6.35100740      -0.62999493      -0.92620737       1.10172182 
Hf       2.30936744       6.36362049      -1.14985826       0.03716529      -0.49210832       0.69817691 
Hf       2.54065821       5.34678153      -6.51680449       0.95269036      -0.46504781       0.17551452 
Hf       7.63133462       6.37282727      -1.05685752      -0.03000293       0.32203532       0.98127051 
Hf       7.49645757       5.39483888      -6.34737566       0.82466829       1.40236824       0.19921537 
Hf       5.00309391       3.53159093      -1.62009210      -0.99203291       0.08498595       0.29848520 
Hf       4.96693007       2.51924042      -6.74255941       0.33713802      -0.25931224      -0.20485608 
Hf      10.20579942       3.36316104      -1.52663280       0.27688611       0.17163538       0.45474579 
Hf      10.17224926       2.53253773      -6.71543429       0.37160533       0.36216441       0.59997605 
Hf       4.98670540       8.55024167      -1.55721722       0.91236266       0.70522206       0.44631542 
Hf       5.02665744       7.72535222      -6.84798108      -0.27297538      -0.45035247       1.35526288 
Hf      10.25385972       8.69169665      -1.51399944      -1.14924720      -0.46357265       0.85189192 
Hf      10.07525024       7.69071366      -6.81331539      -0.15697463      -0.27261195       0.98224392 
O       1.35336232       2.30856913      -2.58901206      -0.60966950      -0.35682268       0.45675475 
O       1.32819349       1.47855036      -7.96567584       0.03023280      -0.74866866      -0.17466114 
O       6.50843216       2.34965330      -2.71483122       0.22072072       0.60327679      -0.79718463 
O       6.51565560       1.45695466      -7.97286538       0.59508352      -0.08648845      -0.40494237 
O       1.28284266       7.55394441      -2.73000719       0.08588982      -0.51571282      -0.43667686 
O       1.49494068       6.52350933      -8.01432757      -0.92853350       0.71357379      -0.21194037 
O       6.44269526       7.56280196      -2.85464882       0.46579591      -0.03025643       0.79316536 
O       6.48861693       6.68836361      -8.00889089       0.09388413      -0.71266017      -0.78385853 
O       4.07193635       1.15322130      -5.32892330       0.00095006       0.03982283       0.39455040 
O       3.98610327       0.61733389     -10.35620647      -0.65890903      -0.33432283       0.01317849 
O       9.14273695       1.40406256      -5.02225088      -0.85696561       0.22963095      -0.55142690 
O       9.05544268       0.45150429     -10.34395418       0.95159277       0.65027933       0.23202216 
O       3.90254441       6.50586899      -5.15220958       0.24336193       0.74313473      -0.00784227 
O       4.01703777       5.73422185     -10.41221124      -0.34971946      -0.24388456       0.16649648 
O       9.13356129       6.57027758      -5.10148661      -0.20018733       0.32896299      -0.53535634 
O       9.21508354       5.70217390     -10.24341706      -0.64224429       0.78809465      -1.28766676 
O       4.05558525       1.81558998      -2.26740644      -0.37046759      -0.64497783      -1.11545707 
O       3.92006982       1.07797409      -7.85181621      -0.94399342      -1.18988044       0.07336386 
O       9.08593654       1.85908014      -2.51345846      -0.42959607       0.15302263       0.23009457 
O       9.01087320       1.00043781      -7.66883564       0.78649411      -0.17324322      -0.75903190 
O       3.86107321       6.98010666      -2.42136486      -0.47189756       0.27096497      -0.89788169 
O       3.93055394       6.05409608      -7.84457816       0.42043938       0.97830830      -0.10351392 
O       8.96541379       7.11720532      -2.47856092       0.24902619      -0.34051103       0.38115708 
O       8.90922391       6.12352238      -7.79135553       1.36020476       0.26213568       0.84606590 
O       1.25655552       2.90040130      -0.06482484      -0.02458405      -0.76422352       0.39799917 
O       1.15479370       1.76734112      -5.37546220       0.22170449      -0.11819103      -0.47483279 
O       6.47372920       2.91146381      -0.17300606       0.23076307      -0.12923926       0.52964214 
O       6.50792958       1.99050451      -5.38073549      -0.16832305      -0.70154861       0.43863942 
O       1.33229163       7.90996186      -0.10552836      -0.05574268       0.77308361      -0.31809557 
O       1.37462564       6.91191534      -5.45524197       0.18949822      -0.47092644       1.18446732 
O       6.50698791       8.00408426      -0.16349274       0.42440914      -0.62217826       0.22289530 
O       6.45099129       6.99820654      -5.44895443       0.05588345       0.50890364       0.63580730 
O       3.41886932       4.64082863      -0.84837040       0.37472180       0.26532146       0.04908433 
O       3.48948208       3.61905779      -6.19587133      -0.96167156       1.21956570       0.22205065 
O       8.79088707       4.71567508      -0.67500638      -0.33403982      -0.28778849      -0.63137307 
O       8.59627975       3.73433823      -5.98546261       1.22869651      -0.49868990      -0.38850417 
O       3.63346268       9.87858169      -0.81189473      -0.99710927       0.02101257       0.88598039 
O       3.49360037       8.86710720      -6.09026097      -0.19203333      -0.36654989       0.33671752 
O       8.69999526       9.90642268      -0.83235376       0.71077984      -1.15424120       0.31284034 
O       8.64087573       8.88125582      -6.01321082       0.38800001       0.14277127      -0.52907966 
O       1.07410921      -0.07533505      -1.75924396       0.01040387       0.63949517      -0.61321035 
O       0.90487043      -0.95822172      -7.01168730      -0.35811671      -0.12800574      -0.54638680 
O       6.09862116       0.06292551      -1.90089927       0.02975050      -0.94945042       0.38317185 
O       6.12612801      -0.91146954      -7.08720320       0.67842715       1.09802797      -0.14896832 
O       0.75622666       5.17515500      -1.80108575       0.83771207       0.45342987      -0.25015996 
O       0.91158661       4.27961019      -7.04718253      -0.52955388      -0.54660471       0.40029610 
O       6.23913213       5.18982932      -1.84595979      -0.22695118       0.13809005       0.04956797 
O       6.09682177       4.27270126      -7.00043004      -1.24875834      -0.44186812      -1.52871539 
O       1.73394885      -0.46305279      -4.54328265       0.06413007      -0.63666533       1.14876597 
O       1.63862257      -1.31382333      -9.66090572       0.65306617      -0.07039314      -0.28710155 
O       6.93597036      -0.41933935      -4.43914184      -1.18327041       1.55946247      -0.05139101 
O       6.90106375      -1.27104527      -9.84617311      -0.55867967      -0.03157684       1.27582632 
O       1.56812670       5.51228392      -4.68582347      -0.44043803       1.01797494       0.01640182 
O       1.75025496       3.87796338      -9.70973218       0.30602931      -0.49541604       0.15924178 
O       6.76530145       4.68281482      -4.52506088       0.76030962      -0.46000642       1.00652265 
O       7.00111709       3.87929042      -9.58836327      -0.21165134       0.12657900      -0.55512720 
O       4.36996139       4.28471191      -3.42986373      -0.08467282      -0.48778566       0.59247565 
O       4.36520627       3.32069634      -8.67022603      -0.20045091       0.44373978      -0.75622385 
O       9.45269462       4.19013309      -3.38898988      -0.56239204      -0.48821369      -0.13787750 
O       9.60908031       3.25850807      -8.66190936      -0.49846976      -0.15282771       0.23213786 
O       4.34063291       9.32593808      -3.38628735      -1.23714640      -0.48135152      -0.73511520 
O       4.40983996       8.52564173      -8.67792380      -1.41967703      -0.90854981      -0.64660062 
O       9.58491882       9.33722419      -3.44053547       0.16482610       0.21766631       0.43077895 
O       9.44677600       8.47367610      -8.53253932      -0.42984530       0.23231191      -1.12750041 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015855219006576084 0.0006929412997211549 0.0016694104103606702 0.0006929412997211549 -0.02019363258081066 0.0003125095594953772 0.0016694104103606702 0.0003125095594953772 -0.019415350664939626" pbc="T T T" energy=-946.98058122 free_energy=-947.01760385 config_type=crystal 
Hf       2.82601550       2.11529283      -9.35657378      -0.05147729      -0.49152618      -0.32614341 
Hf       7.97697640       3.01451063      -4.16174075       0.36525673      -0.45535292       0.45040980 
Hf       8.04401718       2.09179206      -9.37531774      -0.30764502      -0.43291655      -0.39117970 
Hf       2.87653779       8.18344125      -4.12382019       0.41046697      -0.19314794       0.56371834 
Hf       2.73687301       7.24137668      -9.45728604       0.99816531       0.52169781       0.36942673 
Hf       7.95749429       8.21653602      -4.13596118       0.28358430       0.14511118      -0.67930120 
Hf       8.05162911       7.16059012      -9.43565935      -0.33848782       1.01652246      -0.14145176 
Hf       0.20779935       0.87948972      -3.74482279       0.22140733      -0.15596542      -0.10110010 
Hf       0.34823250      -0.09974692      -8.94996382      -1.26816728      -0.01260194      -1.03408391 
Hf       5.30883613       0.85611059      -3.78058337       0.80865048       0.69270984       0.69279844 
Hf       5.41897627      -0.13056032      -8.93908291      -1.00449751       0.86640132      -1.05365945 
Hf      10.33091187       5.95695446      -3.38216996      -0.57619944      -0.07814724      -1.01846822 
Hf       0.17294449       5.04186218      -9.00102607       0.72057600      -0.67606386      -0.26301211 
Hf       5.42892509       5.94130750      -3.68637695      -0.45267283      -0.48296087      -1.37144288 
Hf       5.46458499       5.01098364      -8.97231211      -0.63941996       0.15243338       0.57610585 
Hf       2.37666122       1.21334831      -1.20795737       0.13935880       0.67766143       0.96803307 
Hf       2.33555555       0.41159748      -6.20382101       0.48933062       0.38350797      -0.85056677 
Hf       7.60678786       1.18071034      -1.04044091      -0.50486274       0.58285690      -0.16319071 
Hf       7.51027802       0.35314704      -6.34778771       1.36766718       0.48802024       0.28805359 
Hf       2.47251231       6.35179212      -1.07262142      -0.82754163       0.52519514       0.65815605 
Hf       2.49871383       5.36132010      -6.53385954       0.72282220       0.27242588       0.34636119 
Hf       7.47970842       6.28594625      -1.07185351       0.67178112       0.55051489      -0.03867288 
Hf       7.59728136       5.51736378      -6.28867970       0.29114622      -1.43160316      -0.92029596 
Hf       4.91109252       3.41174144      -1.60095048       0.19470426      -0.79084745      -0.21240758 
Hf       4.97227297       2.50529427      -6.70782725      -0.41444950       0.51019533      -0.82099257 
Hf      10.24449235       3.39746292      -1.53047675       0.09452722      -0.65705749       0.95975498 
Hf      10.17368997       2.61570758      -6.80758617      -0.57609274      -1.26864454       0.31983829 
Hf       4.96234193       8.66770956      -1.54098479       0.70477161      -0.24848748       0.06890147 
Hf       4.98043434       7.77671259      -6.78211122      -0.70559744      -0.35029409       0.69359231 
Hf      10.24595157       8.61728776      -1.58430726      -0.02775291       0.26880863       0.69231710 
Hf      10.13881287       7.79848646      -6.89321655      -0.66653975      -1.22754541       0.16577985 
O       1.25728554       2.32978002      -2.68283310      -0.10559124      -0.08266052       0.35567536 
O       1.31557447       1.48224194      -8.04066966       0.01508760      -0.02442270       0.71936266 
O       6.51927173       2.38557661      -2.77548491      -0.08184599      -0.01296763       0.19134767 
O       6.55714051       1.47346951      -7.98567032      -0.77630325      -0.17046923       0.11576412 
O       1.32361750       7.58237291      -2.72578533      -0.08152790      -0.68297946      -0.11219909 
O       1.24576925       6.59479840      -8.14504579       0.49230050      -0.04069426       1.21542101 
O       6.46181766       7.50993569      -2.81573565       0.49976320       0.48738503       0.33522308 
O       6.61066529       6.50214833      -8.06111944      -0.77239930       0.60424895       0.56592148 
O       4.02714545       1.23945109      -5.29531523      -0.17499187       0.28744261       0.40260088 
O       3.82178657       0.53861018     -10.35432813       1.53066681      -0.29754396      -0.06923079 
O       9.02810083       1.44040221      -5.06463617       0.07554745      -0.35139738      -0.15436276 
O       9.15982213       0.60272348     -10.33544818       0.35156893      -0.51894335      -0.29339329 
O       4.01127085       6.63874402      -5.11584878      -0.33399331      -0.06682256      -0.23468898 
O       3.95635242       5.70359536     -10.36259219      -0.06557030      -0.57217467      -0.10700689 
O       9.18831617       6.55437531      -5.13506013       0.05228800       0.92080261       0.33630456 
O       9.17862015       5.70554810     -10.38283501      -0.26174039      -0.50494318      -0.18272606 
O       3.95517603       1.63497694      -2.40563782       0.52597201       1.08247271       0.08671677 
O       3.83400088       1.04469990      -7.76113253       0.15722710      -0.45396155      -0.22244918 
O       9.00928889       1.88326091      -2.43168694       0.18498806       0.02430203      -0.38707514 
O       8.97727047       0.92564664      -7.74372235       0.99566402       0.43378333       0.11822496 
O       3.89040844       7.02982111      -2.45113213      -0.20941214       0.05074555      -0.44022590 
O       3.90868164       6.28731142      -7.79071898      -0.79731914      -1.52381166       0.37643653 
O       8.90615700       7.01406805      -2.44529696       0.48349711       0.76538339      -0.34645985 
O       9.01469839       6.11334169      -7.75132614       0.78517663       0.31860607      -0.34436260 
O       1.34907476       2.68464133      -0.06592761      -1.24625386       1.52131159      -0.78569370 
O       1.08245678       1.84834082      -5.44761970       0.56527631      -0.69228067       0.51452321 
O       6.43251796       2.86065319      -0.10370535       0.06828025      -0.63445766      -0.16147552 
O       6.49560711       1.96417364      -5.37673834      -0.22469282       0.14813445       0.22076942 
O       1.28463519       7.96480543      -0.08146721      -0.13379066      -0.56949531      -1.07681101 
O       1.53796897       7.21643150      -5.60418143      -0.67785021      -0.92612033       0.62472215 
O       6.45193805       7.94837839      -0.22187589       0.43329263      -0.03459286       0.82481463 
O       6.48977275       6.98365016      -5.41278002      -0.18075349       1.23720424      -0.05018012 
O       3.43280780       4.59987641      -0.80842124       0.37800346       0.51899301      -0.12669337 
O       3.57074914       3.79759156      -6.09327411      -0.34607448       0.45187245       0.22363182 
O       8.75966725       4.71241622      -0.79942161      -0.47925054      -0.22223979      -0.06260667 
O       8.75844836       3.75820478      -6.04388818      -1.10405803       0.92382400       0.42288083 
O       3.43550730       9.72846864      -0.82417842      -0.03714582       0.32311611      -0.12719117 
O       3.55652504       9.04099076      -5.87021701       0.75765700      -0.98877537      -1.30536706 
O       8.76736833       9.75219897      -0.84357804      -1.29522335       1.09845336       0.54825370 
O       8.71337443       8.92745872      -6.06170767      -0.64980867       0.12381243       0.17146333 
O       0.90561146       0.02018193      -1.89425713      -0.13766146      -0.55615820       0.16402139 
O       0.97217502      -0.95142129      -7.13516326       0.49175248       0.55836150       0.16929600 
O       6.17123051       0.03733154      -1.86624346      -0.11891790      -0.30520367       0.53018762 
O       6.10935329      -0.87214072      -7.12817176       0.01265131      -0.11542411       0.59309719 
O       0.82462826       5.25141265      -1.72214550       0.67080086      -0.43611625       0.12715075 
O       0.92348111       4.26908441      -7.09390362       0.13842095       0.18816550      -0.01502632 
O       6.10412791       5.15271641      -1.89644597      -0.31384878      -0.58133991       1.27190000 
O       6.12864724       4.16297025      -7.12435196       0.78002953       1.31391389       0.64601087 
O       1.63563442      -0.52012155      -4.47498727      -0.45029676       1.06990933       0.20961309 
O       1.75397770      -1.29748715      -9.75554718      -0.16026426      -0.76027276       0.23930908 
O       6.82709607      -0.38557752      -4.44987837       0.59615515      -0.80745971      -0.46835141 
O       6.87423330      -1.33540530      -9.60657496       0.88390283      -0.50346875      -1.16440687 
O       1.42147247       5.90224037      -4.77422727       1.10129248       0.37757518      -1.49436153 
O       1.73859632       3.82295678      -9.66272159      -0.51119043       0.68239117      -0.26452522 
O       7.05400962       4.82392300      -4.35021596      -0.10855419      -0.30646959      -0.44645395 
O       6.94479577       3.86655561      -9.67895077      -0.14479634      -0.47167863      -0.23566257 
O       4.42502871       4.20108262      -3.42268133      -0.20309584       0.12060599       0.11333427 
O       4.19522260       3.42550703      -8.58129343       0.40895832      -0.09125462      -0.38554073 
O       9.67787736       4.09490581      -3.47271136      -0.34050462       0.08611572       0.14306904 
O       9.48205739       3.28828063      -8.66348224       0.36326427       0.63696968      -0.22767028 
O       4.34465489       9.41288612      -3.39792021      -0.87404774      -1.10243523       0.02339646 
O       4.24793257       8.47160974      -8.60507578       0.24679753       0.90194313      -0.43545951 
O       9.52589779       9.33460906      -3.43983960      -0.58758785      -0.26717210      -0.13484685 
O       9.54007306       8.45128097      -8.80807803      -0.11404740      -0.27302670       0.96539931 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013252516485603183 0.0019706956393006434 0.0038771701317787703 0.0019706956393006434 -0.013100526457263858 -0.004294443846374719 0.0038771701317787703 -0.004294443846374719 -0.018838233399591998" pbc="T T T" energy=-946.76865813 free_energy=-946.80238338 config_type=crystal 
Hf       2.81138846       2.09308879      -9.37712195      -0.35761947       0.04749137      -0.29922889 
Hf       7.96177145       2.97606324      -4.14949948       0.33912685      -0.17567725       0.43725179 
Hf       7.98542143       2.07396351      -9.44368946       0.58041494       0.40268929       0.53609951 
Hf       2.91827914       8.13313909      -4.08380509      -0.96285794      -0.34307579      -0.86021012 
Hf       2.79685421       7.33314708      -9.46862636       0.40337827       0.09734033       0.49823963 
Hf       7.96177904       8.23472967      -4.15526881       0.30241598       0.66982142      -0.76735622 
Hf       7.95696480       7.23684809      -9.40136077       0.92811177      -0.67444124      -0.32681037 
Hf       0.34430632       0.86622636      -3.74199446      -0.80169164      -0.52281426       0.68012672 
Hf       0.26256452      -0.09711397      -8.91043332      -1.41002449      -0.48429375      -0.49543900 
Hf       5.38352604       0.85649867      -3.77344077      -1.36424484      -0.02807559       0.99711830 
Hf       5.42558637      -0.09592988      -8.97750402      -0.79096365       0.60273190      -0.24169206 
Hf      10.30653686       5.94777200      -3.38417726      -0.30982644      -0.82917026      -0.73102249 
Hf       0.24835891       5.02127583      -8.97021662      -0.39171069      -0.04223088      -0.03203529 
Hf       5.45090981       5.98339374      -3.73697402      -0.30460970      -1.50249210      -0.25334263 
Hf       5.41912060       4.95065594      -8.89172254       1.02055396       0.93626147      -0.71241140 
Hf       2.37686996       1.35115693      -1.18717986      -0.04299988      -0.79203892       1.16622945 
Hf       2.39937160       0.37280698      -6.27769179      -0.25182406      -0.75028647       0.01895213 
Hf       7.53151090       1.15559631      -1.09402203       0.21222780       0.71925096      -0.31011065 
Hf       7.49301610       0.44318309      -6.34955286       1.48536284      -0.85461097       0.04399229 
Hf       2.41364703       6.42403511      -1.09023878      -0.36637821      -0.98915711       0.76986302 
Hf       2.56446476       5.33725950      -6.49795405      -0.41865866       0.35811323       1.22257993 
Hf       7.52788583       6.37545814      -1.09117176       0.20887267      -0.25272426       1.37852856 
Hf       7.61685439       5.46798460      -6.36039986      -1.38722025      -0.48470092      -0.04722409 
Hf       4.92806653       3.47863958      -1.61278002       0.02822956      -0.56528662       0.00684664 
Hf       4.92990779       2.43846074      -6.75947280       0.69920766       0.11204409      -0.51496304 
Hf      10.19036162       3.38830380      -1.45165274      -0.52164663      -0.64614426      -0.18895104 
Hf      10.19196983       2.54762195      -6.78562630      -0.71201439       0.09865239       0.23496079 
Hf       4.98192701       8.61315304      -1.54017709       0.36775266       0.18319167       1.50168218 
Hf       5.02767527       7.77407323      -6.84466594      -0.64511414      -0.74457178       0.77190817 
Hf      10.21504543       8.62575100      -1.56177731      -0.42528330       1.44503484       1.36572487 
Hf      10.08832716       7.69501009      -6.87018866       0.34830302       0.72818929       0.61136170 
O       1.31598957       2.38195972      -2.60832200      -0.99564487      -0.23632459      -0.33687922 
O       1.28693913       1.41694015      -7.97196506       0.71828852       1.01023003       0.30005854 
O       6.56149924       2.33412149      -2.70429262      -0.62279430      -0.07216695      -0.47553669 
O       6.47013114       1.50526216      -8.00595682       0.24134455      -0.53662374      -0.10343270 
O       1.22502846       7.55643466      -2.66522446       1.00913287      -0.48118004      -0.34395675 
O       1.39964121       6.59778540      -7.96743438      -0.45215217      -0.14736952      -0.45205030 
O       6.49178078       7.54496427      -2.65519556       0.61539945      -0.48583138      -1.49710972 
O       6.56560528       6.53290845      -8.01766865      -0.63219723       0.41066638       0.45268481 
O       4.02236404       1.13114612      -5.31465017       0.97564455       0.28988158       0.64313108 
O       3.87197336       0.56512705     -10.36360140       0.37716319      -0.35533098      -0.09371659 
O       8.97054888       1.31293711      -5.06973746       1.05194307       1.17264136       0.02496471 
O       9.06815802       0.49036402     -10.27390404       0.37505714       0.00135337      -0.89623220 
O       4.00728679       6.55632966      -5.14859517       0.20605436      -0.26069224       0.35737583 
O       4.05374918       5.75023661     -10.30328447      -0.87750422      -0.28127798      -0.78864387 
O       9.23115078       6.77340271      -5.09504933      -0.15800611      -0.93913812       0.29096648 
O       9.20196662       5.70298200     -10.36607912       0.26994697       0.14902581      -0.12597487 
O       3.92290637       1.76870606      -2.42181061       1.15127279       0.07766361      -0.26116250 
O       3.80655045       0.94216980      -7.80413978       0.07672333       0.27911738      -0.25962519 
O       9.02210075       1.83544974      -2.45541469       0.40424120       0.30136763       0.02715367 
O       8.98539838       0.98466033      -7.72460215       0.08130347       0.45074865       0.06594846 
O       3.89024053       7.05365179      -2.44175248      -0.55869479      -0.77726499      -0.26459715 
O       3.93645781       6.15020301      -7.72282640       0.21901363       0.03852382      -0.75975658 
O       9.00571390       7.08771491      -2.40648963      -0.86749821       0.23663705      -0.41960407 
O       8.99814644       6.02304155      -7.76571152       1.26361230       0.86803489      -0.12310049 
O       1.19609086       1.03881918     -10.50053386       0.56950265       0.31933651      -0.53717851 
O       1.18401983       1.80908355      -5.41063790      -0.62839036      -0.07938260       0.02371833 
O       6.46782502       2.80415053      -0.11547913      -0.29573719      -0.42049961       0.04710341 
O       6.43546372       2.04860058      -5.37240464      -0.00629128      -0.60602283       0.57474683 
O       1.37561438       7.96979359      -0.06430716      -0.62714578      -0.16068715      -0.65558761 
O       1.42504101       7.04845434      -5.42891470       0.31713606      -0.66499764       0.43905421 
O       6.58221718       7.94927997      -0.07761927      -0.84718976      -0.14265109      -0.63526277 
O       6.53632782       7.09401600      -5.50802547      -0.20556682       0.19240527       1.40225759 
O       3.50241124       4.62514576      -0.73893425      -0.35682834       1.24578498      -0.26593588 
O       3.59458199       3.67050617      -6.22190092      -1.62537923       1.66303710       0.66763321 
O       8.77900660       4.72248833      -0.75843678      -0.45684622      -0.17738104      -0.01613602 
O       8.71167645       3.83783726      -5.92243022       1.21456706      -1.29595460      -0.69177019 
O       3.49276115       9.80628759      -0.82091925      -0.29109998       0.47130664       0.23478220 
O       3.45761016       8.78915858      -6.00424385       0.27118650       0.64972541      -0.25543571 
O       8.66117265       9.83514866      -0.84033368       0.26029554      -0.72595937       0.79212165 
O       8.56522264       8.88682078      -6.17063265      -0.03319337       0.51191992       0.76120710 
O       0.91115157       0.03160757      -1.82686574       0.18271195      -0.13803980      -0.45942040 
O       0.82698031      -0.83133684      -7.01485932       0.00305668      -1.21333801       0.05478040 
O       6.16843127      -0.11709573      -1.97189436       0.46330466       1.43154072       1.05068304 
O       6.14472716      -0.85129513      -7.10475524      -0.73393238       0.13952702      -0.07141654 
O       0.91285713       5.12951925      -1.83182243       0.59018255       0.20632761       0.33056053 
O       0.86875096       4.28899597      -7.01541133       0.38465044      -0.23497381      -0.29356511 
O       6.17595425       5.13170833      -1.92313290       0.03906405       0.09397324       0.75025633 
O       6.22048841       4.11511847      -7.17032772       0.16668002       0.85278667       0.94449177 
O       1.80223823      -0.50980269      -4.40443258      -1.24930496       1.11526111       0.18798209 
O       1.59922381      -1.31160675      -9.78665485       0.64954223      -0.43929487       0.29935441 
O       6.83328754      -0.37443135      -4.41492140       0.26677956      -0.29607514      -1.14021269 
O       6.81473608      -1.40748795      -9.57606950       0.19161913       0.56154901      -1.50050983 
O       1.48799415       5.72120766      -4.62082580       0.91278631       0.40799524      -1.55542433 
O       1.68472160       3.83277370      -9.73781967       0.45710574      -0.14635952       0.13627835 
O       6.96413689       4.81855437      -4.45910660      -0.46436944      -0.11532684       0.27447362 
O       6.89377298       3.79588970      -9.71135809      -0.08720670      -0.04095393      -0.66584805 
O       4.33025290       4.25725576      -3.34385060       0.40348307       0.99777835      -0.59270922 
O       4.26725426       3.35485186      -8.67517643      -0.61854814      -0.95583417       0.02299912 
O       9.38752919       4.15673404      -3.31960601       0.85043265       0.86857469       0.04303013 
O       9.56636165       3.25234168      -8.73191235      -0.08468918       0.21882574       0.63710576 
O       4.27328676       9.33948053      -3.32262902       0.41119640       0.67265606      -1.01601033 
O       4.20597760       8.58787752      -8.60059970       0.00970314      -0.60308486      -0.38729474 
O       9.41602530       9.41752170      -3.38018294       0.62870260      -0.16872771      -0.38848704 
O       9.47951707       8.44765212      -8.67535357      -0.00383501      -0.34888712       0.01670413 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01324350467016876 0.0011907856070495972 0.002572359555429109 0.0011907856070495972 -0.018967987283964743 -0.0005553912461634142 0.002572359555429109 -0.0005553912461634142 -0.013361877986529661" pbc="T T T" energy=-946.79426625 free_energy=-946.83149033 config_type=crystal 
Hf       2.83515605       2.13315347      -9.35728183      -0.42125609      -0.16004693      -1.28533752 
Hf       7.99464562       2.99377848      -4.20134958       0.39172222      -0.45182437       1.04029576 
Hf       7.98841414       2.15797398      -9.39075434       0.24755506      -0.70257004      -0.80865319 
Hf       2.84961207       8.13350429      -4.15014904       0.81370425       0.47708335       0.62602906 
Hf       2.81560277       7.28005739      -9.43253679       0.28420242       0.20923886      -0.13264245 
Hf       7.90493935       8.23940126      -4.13657284       1.63868800      -0.10375713      -0.83039195 
Hf       7.96376442       7.34705195      -9.38012459       0.11088854      -1.20284248       0.01696417 
Hf       0.35055027       0.76215012      -3.77929064      -0.82145297       0.07314808       0.20365414 
Hf       0.20333059      -0.09984385      -8.91515963       0.18748207      -0.04885444      -0.13217093 
Hf       5.33548672       0.86031825      -3.78822402      -0.66913285       0.28212867       1.22109442 
Hf       5.37893509      -0.05610066      -8.90186159       0.32281623      -0.03995395      -2.59054795 
Hf      10.32530838       5.94028043      -3.46631063       0.12239019       0.13225916       0.25487958 
Hf       0.22402983       4.98906827      -8.93357808      -0.87114554       0.95218134      -0.25655257 
Hf       5.36762629       5.88622648      -3.72154761       0.97838577      -0.34116340      -0.35117110 
Hf       5.41577450       5.02596902      -8.99069832      -0.34678021       1.29984167       0.69801897 
Hf       2.40994757       1.23932803      -1.09779405       0.11944944       0.75208171      -0.07019083 
Hf       2.46428362       0.43926922      -6.35379068      -0.72520124      -1.12578846       0.92443352 
Hf       7.48886705       1.29196186      -1.11406398       1.18860353       0.96345453      -0.26607360 
Hf       7.50395957       0.37347646      -6.35641730       1.85900111      -0.00911564       0.48484293 
Hf       2.33839044       6.34056582      -1.15349493      -0.04380216       0.96220748       0.62864204 
Hf       2.59058586       5.28337476      -6.55089055       0.02271553       0.45909086       0.50361558 
Hf       7.57961973       6.36542876      -1.03156182      -0.11307562       0.08625532       0.20610652 
Hf       7.62527853       5.42723940      -6.37136247      -1.21845259       1.00762863       0.25118786 
Hf       4.88016145       3.51956452      -1.62096607       0.32786270      -0.42043641       0.24383849 
Hf       4.94408327       2.54616459      -6.76184352       1.46062253      -0.10723132       0.19861212 
Hf      10.21701210       3.36915161      -1.50237886      -0.37291713      -0.77886807       0.10846731 
Hf      10.23285502       2.49641570      -6.75538671      -0.63899282       0.22241201       0.50216860 
Hf       5.04801895       8.54676522      -1.58644686      -0.42846231       0.95344147       0.98769610 
Hf       5.06541999       7.77870490      -6.74175853      -1.17211260      -1.54596765      -0.37457988 
Hf      10.11448483       8.66839178      -1.43931739       1.13586380       0.05624340      -0.43937425 
Hf      10.17814066       7.64648619      -6.78713512       0.03517320       1.19382626      -0.21310105 
O       1.21249880       2.20960367      -2.61876872       0.37840513       0.55342868       0.62724483 
O       1.37647667       1.48256224      -7.92512962      -0.30195040       0.08931693      -0.35044377 
O       6.54931195       2.38749051      -2.72025225      -0.71772062      -0.00671308      -0.59192182 
O       6.53790039       1.47151882      -7.95717929       0.31496706       0.26180708       0.03228835 
O       1.33251481       7.56551954      -2.66575989       0.05732081      -0.76375798      -0.89351612 
O       1.39463568       6.56253957      -7.93248853       0.09307660      -0.01209895      -1.18316954 
O       6.61230955       7.48732156      -2.71229397      -0.57339309       0.12000064       0.30647803 
O       6.59387571       6.64144629      -7.92676697      -0.26738902       0.03988613      -0.40799340 
O       3.98301454       1.28455524      -5.28218372       1.43843091      -0.28365704       0.30698783 
O       3.90063914       0.61240062     -10.42867038       0.40019872      -0.17213287       0.68344179 
O       9.10070915       1.39812295      -5.10307934      -0.03945187       0.23268653      -0.62732437 
O       9.14217048       0.57043537     -10.41746436       0.07866014      -0.36339810       0.83882049 
O       4.04570179       6.55902249      -5.17486060      -0.61580601      -0.16694836      -0.44915831 
O       3.94182492       5.76460160     -10.44163818      -0.09545426      -0.68522596      -0.03866556 
O       9.22579469       6.65353162      -5.09341765      -0.27635492      -0.25315381       0.05083432 
O       9.04141153       5.71412774     -10.31479899       0.83822292      -0.55184843       0.16978086 
O       3.94307373       1.77285984      -2.38862110       0.41273365      -0.15359445      -0.61150289 
O       3.89079631       0.93663569      -7.85972662      -0.39714896       0.76494972       0.51094546 
O       8.99708570       1.94798894      -2.50532092       0.01905326      -0.68635993       0.11008494 
O       9.05139847       0.95815183      -7.78681014      -0.00666649       0.07833104       0.45500245 
O       3.91844530       6.99703633      -2.55509496      -0.64686063      -0.11990412       0.33138685 
O       3.93443555       6.15917732      -7.87124597      -0.32641684       0.17412626       0.46108466 
O       9.09151519       7.12130696      -2.37590363      -0.80323597      -0.80887108      -0.35604369 
O       9.14584978       6.19287327      -7.79309159      -0.83228939      -1.11858409       1.03274087 
O       1.30094380       1.10745156     -10.47530778      -0.66447503      -0.45693557      -0.78200047 
O       1.23084962       1.76630187      -5.38740672      -0.79885184       0.67225170      -0.57711878 
O       6.44477664       2.98880889      -0.10642343      -0.06975551      -1.03275966      -0.00759093 
O       6.49457151       2.03512472      -5.33414093      -0.57847003      -1.11652591      -0.49772733 
O       1.23458587       7.91299715      -0.10210958      -0.03552136       0.32950863       0.28740642 
O       1.57864344       7.00127008      -5.48673522      -1.06535916      -0.13864649       0.26951554 
O       6.47942038       7.95046806      -0.05004096      -0.56978930       0.22415911      -0.64003907 
O       6.46016072       7.16332789      -5.34508863       0.95232656      -0.69921325       0.23262182 
O       3.40755283       4.71024543      -0.81169564       0.63968778      -0.41978090       0.20993983 
O       3.52963360       3.62716426      -6.14792346      -1.68518099       1.44935266       0.24382898 
O       8.75628302       4.69047611      -0.80467085      -0.51935094       0.55558421       0.31337200 
O       8.65497910       3.79106887      -6.09375955       1.14119928      -1.21868177      -0.00318157 
O       3.53623103       9.83293839      -0.86741237      -0.26521825      -0.32473662       0.82193283 
O       3.52925155       8.89668754      -6.00203652       0.14492887      -0.06161655      -0.33645124 
O       8.62111069       9.73466038      -0.73371389       0.02558975       1.67887179      -0.97023068 
O       8.64576811       8.86659309      -6.08922865      -0.24868154       0.69915532      -0.04589302 
O       0.97292987      -0.01231511      -1.87109347      -0.33728620      -0.73901013       0.48760456 
O       0.98329211      -0.92158038      -7.05919552      -0.61710722      -0.27526328      -0.19584488 
O       6.16012319       0.03666460      -1.82124992      -0.95744094      -1.05862309      -1.02197362 
O       6.00042716      -0.77523296      -7.03829631       0.56525790       0.10484503      -0.29221420 
O       0.92748553       5.02904588      -1.91715827       0.84701501       1.21358711       0.44975263 
O       0.87946730       4.25776958      -7.04992297       0.41343057      -0.30310246       0.18823878 
O       6.05712253       5.20146651      -1.77232864       0.29899820       0.40477129      -0.19019097 
O       5.98067417       4.37603556      -7.00577631       0.71166205      -0.18707539      -0.46485176 
O       1.83254339      -0.41608519      -4.49643335      -0.53704176      -0.82260287       0.59877820 
O       1.69164694      -1.25656485      -9.68587895       0.35040132      -0.93994476      -0.27117474 
O       6.80268251      -0.45673807      -4.55048322      -0.46628239       1.07457849       0.50800581 
O       6.90584422      -1.25469632      -9.83367846      -1.03773385       0.35503166       2.15473215 
O       1.50918661       5.65884649      -4.76105082       0.52181803       0.40711662      -0.27951402 
O       1.69208520       3.85068299      -9.64773064       0.65662827      -0.34663484      -0.56772527 
O       6.92229143       4.67716237      -4.51654669      -0.19183328       1.40853898       0.45968500 
O       6.84565428       3.87099789      -9.67616580       1.37249922      -1.22303511      -0.09851668 
O       4.37617811       4.23283690      -3.47484760      -0.11967302      -0.22601182       0.48657736 
O       4.34367197       3.32969242      -8.65969678      -0.38374420      -0.18338450      -0.47453499 
O       9.55755566       4.13355318      -3.44609196      -0.09686208       0.59848558      -0.30919326 
O       9.44424596       3.32751407      -8.60523203       0.34332069       0.12913789      -0.27014470 
O       4.28607565       9.35078774      -3.34605373       0.48474262       0.35070966      -0.78852708 
O       4.32749854       8.52649881      -8.68209096      -0.40307963      -0.66577095      -0.03086081 
O       9.50308807       9.36494207      -3.40311727      -0.23594290       0.09121759      -0.12823613 
O       9.49175902       8.41112432      -8.62531997       0.75855528       1.50764939      -0.22683259 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014320283214807975 -0.0013149231380920174 0.0023085120653883904 -0.0013149231380920174 -0.024320497112574023 0.0002595931151412792 0.0023085120653883904 0.0002595931151412792 -0.01614955043912722" pbc="T T T" energy=-946.68497403 free_energy=-946.72166801 config_type=crystal 
Hf       2.77583339       2.09696713      -9.41786517       0.25656374      -0.23762863      -0.23902008 
Hf       7.96622619       3.00949337      -4.16718425       0.02948652      -1.12597587       0.25090665 
Hf       8.09212591       2.11971966      -9.39442775      -1.44056364       0.53452988       0.88452110 
Hf       2.89309452       8.11636675      -4.20146278       0.45568194       0.13641017       1.75374371 
Hf       2.91634488       7.29089383      -9.49008388      -1.12846199      -0.45532518       0.71369345 
Hf       7.94213224       8.21219908      -4.11982325       0.54819686       0.53443347      -0.04557911 
Hf       7.98851192       7.33579615      -9.37179605      -0.20631808      -0.31944766      -0.21867903 
Hf       0.27175702       0.83187163      -3.71471079       0.15279399      -0.58045842      -0.17155015 
Hf       0.22225890      -0.17477577      -8.89618256       0.34791896       1.68223542      -0.87703914 
Hf       5.31220373       0.84527386      -3.74679858       0.71735674       0.47582241       0.30686517 
Hf       5.41005288      -0.07883304      -8.97984502      -0.62198745       0.80029676       0.32643046 
Hf      10.33718480       5.93877902      -3.56864964      -0.49640141       0.06453090       1.84733593 
Hf       0.16480639       5.02918112      -8.95517054       1.07089518       0.40045366       0.56844251 
Hf       5.42937000       5.83729654      -3.73093692      -0.03932207       0.97546306      -0.03558849 
Hf       5.42333635       5.08376554      -9.02935455      -0.02263275      -0.36053865      -0.08328993 
Hf       2.38136584       1.23712757      -1.12122443       0.04327539       0.29278704       0.66984608 
Hf       2.43060742       0.34978926      -6.22778744       0.22822158       0.76134112      -0.89582017 
Hf       7.49672512       1.31644270      -1.09553506       0.29966335      -0.29004926       0.44418450 
Hf       7.59369224       0.27509435      -6.35156130      -0.67705181       1.73220218      -0.00625085 
Hf       2.30923652       6.37446977      -1.11053326       0.33215090      -0.23347223      -0.07476478 
Hf       2.53407398       5.34002925      -6.49652492       0.36200419       1.15502507      -1.61300461 
Hf       7.56043727       6.38928126      -1.03727225      -0.65568832      -0.95574683       0.10525658 
Hf       7.58703985       5.45022670      -6.31655046       0.29505553       0.25682833      -0.91770456 
Hf       4.94922044       3.45080001      -1.63494297      -0.84430820      -0.22861232       0.37840247 
Hf       4.94252795       2.59621908      -6.77043573       0.12906636       0.00498305       0.21131432 
Hf      10.18698093       3.34801207      -1.47595887       0.25690619       0.27224075      -0.17637145 
Hf      10.19649335       2.52369754      -6.72548892       0.04920678      -0.30215133      -0.08205656 
Hf       5.02464619       8.61379597      -1.59528626      -0.43767417      -0.42765484      -0.16488137 
Hf       5.02797815       7.72359903      -6.81109987      -0.73361312      -1.56341113       0.40681601 
Hf      10.11608628       8.63699371      -1.48341491       1.09526696       0.56347733      -0.02374246 
Hf      10.16367872       7.79696932      -6.77806797      -1.12520934      -1.52635906      -0.16949301 
O       1.26113037       2.21124179      -2.58194936      -0.72265463       0.26660150      -0.00092701 
O       1.31070392       1.45038651      -8.00480701       0.25317983      -0.33412446       0.34505587 
O       6.45333118       2.36257031      -2.74892610       0.65522488       0.30779544      -0.02768522 
O       6.52348053       1.45635981      -7.89627569       0.25951180      -0.14553394      -0.77695034 
O       1.19103172       7.53342585      -2.72098068       0.36023480      -0.79312326      -0.06055740 
O       1.32366114       6.55185856      -7.97766657       0.00559433       0.14795666      -0.26431241 
O       6.56071852       7.47241966      -2.70525521      -0.87223535       0.09604963      -0.30056131 
O       6.44975245       6.71324431      -8.08086589       0.86093343      -0.26563555       0.14970355 
O       4.15246155       1.24856365      -5.28553792      -1.81208411      -0.34908197      -1.12160268 
O       3.90524256       0.52322288     -10.40681709       0.08084618       0.08287763       0.48572025 
O       9.05624523       1.46934700      -5.11017731       0.27473295      -0.06338150       0.12103524 
O       9.05257153       0.60959354     -10.36887879       1.17412269      -0.92154474       0.10512335 
O       4.00562362       6.55026490      -5.15749799       0.42618732       0.18655368      -0.50749487 
O       3.97581002       5.65627736     -10.48078541      -0.29132336       0.26097091      -0.02195842 
O       9.18339906       6.72591923      -5.14568126       0.52443248      -0.55944502       0.76636250 
O       9.14956504       5.75135965     -10.36330550      -0.46006381      -0.35666044       0.35911711 
O       3.92232857       1.74132889      -2.33483710       0.76759259      -0.20814177      -1.17179089 
O       3.86028157       1.07643087      -7.86776608      -0.12438839      -0.21008110       0.87226411 
O       8.95798026       1.89340210      -2.42180494       0.68430761      -0.04978576      -0.91461135 
O       9.10480459       1.03036735      -7.78656232      -0.52099297      -0.58758250       0.60707296 
O       3.78521096       6.99474995      -2.51449287       0.44521697       0.28619256      -0.48613327 
O       3.92226031       6.11434877      -7.93732363      -0.75889804       0.38346966       1.10732900 
O       8.95049000       7.07971525      -2.40665228       0.96317268      -0.47965398      -1.11775400 
O       9.08347082       6.22948271      -7.73462286      -0.73521658      -0.50582713      -0.06510512 
O       1.26533813       2.78026321      -0.04524954      -0.51795099      -0.08578720      -0.37390638 
O       1.18120895       1.73677689      -5.41942784      -0.24165304      -0.02718778       0.63445969 
O       6.40562819       2.85027489      -0.07845082       0.08215139       0.29865306      -0.39717360 
O       6.41924862       2.10836813      -5.33949077       0.91459596      -0.46449239      -0.08391043 
O       1.28834775       7.89587669      -0.02219488      -0.25348274       0.16659003      -0.83090032 
O       1.54878496       7.13475031      -5.47591867      -1.21464890      -0.80744080      -0.14251911 
O       6.44439470       7.92263098      -0.19265927       0.32594363       0.73379909       0.76787470 
O       6.50958403       7.02229055      -5.33714861       0.24015771       0.47296830      -0.42868293 
O       3.48869605       4.67160742      -0.83958614      -0.16552357       0.18793266       0.27040071 
O       3.52818935       3.84015455      -5.96799100       1.31630024      -1.60784519      -0.21952772 
O       8.69279011       4.70230202      -0.71665422       0.87652433      -0.04300783      -0.66581904 
O       8.82262527       3.85761491      -5.98542596      -0.63218506       0.18437272       0.14346239 
O       3.51556151       9.77746135      -0.85893830       0.14928167       0.02049530       0.59644444 
O       3.51233356       8.88047246      -6.11694715      -0.60594585       0.02833805       0.85740916 
O       8.77898468       9.92485110      -0.58594146      -0.10820280       0.19006336      -1.39067366 
O       8.76185451       9.04209949      -5.86178514       0.63577575      -0.91671472      -1.46186690 
O       1.00148116      -0.12427350      -1.75781368      -0.32767056       0.42773824      -0.43814835 
O       0.83613052      -0.90833585      -7.04393785       1.44679022       1.09695100       0.12584059 
O       6.21433559       0.01919699      -1.89861455      -0.71809410      -1.11431679       0.10658837 
O       6.08210017      -0.96489972      -7.08520116       1.68457770       1.85239984       0.00772973 
O       0.93741325       5.03163798      -1.91666621      -0.00215567       0.83841502      -0.05932714 
O       0.99962202       4.15010046      -6.97742232      -0.09771960       0.59530967      -0.64580955 
O       6.18361834       5.05831545      -1.87218836       0.23796393       1.01589454       0.37471956 
O       6.09415988       4.38383998      -7.15002841       0.09275844      -0.59246022       0.90690331 
O       1.71337076      -0.50335475      -4.43602821       0.14173335       0.16443069      -0.09227001 
O       1.70632521      -1.32163810      -9.61633872       0.36411558      -0.57725558      -0.50777167 
O       6.94193127      -0.35919927      -4.52982342      -1.23909396       0.21532831       0.97039925 
O       6.85248018      -1.23488234      -9.75513177       0.07322250      -0.98601056       0.50631767 
O       1.61844378       5.78156663      -4.72426800      -0.51153535       0.52512318       0.20705377 
O       1.57889572       3.72442647      -9.73323291      -0.17082153       0.65837011      -0.22876400 
O       7.04865570       4.77766774      -4.44366812      -0.45604720       0.30632596       0.08860289 
O       6.98138748       3.89355294      -9.61613343      -0.32093495      -0.27734477      -0.43493964 
O       4.42652148       4.20115258      -3.52354659      -0.23371386      -0.47466051       0.72107729 
O       4.18109606       3.45981662      -8.68527400       0.27964163      -0.38388979       0.35996063 
O       9.55800452       4.10629710      -3.41396637       0.12034949       0.66581613       0.00972383 
O       9.44727235       3.37801832      -8.53814800       0.03127358       0.17077587      -0.53691955 
O       4.34080539       9.32455248      -3.47318505       0.37647715       0.05237140       0.07968974 
O       4.30520346       8.51209564      -8.58934496      -0.53869467      -0.06399267      -1.37957330 
O       9.55830917       9.37809411      -3.40495035      -0.99128935      -0.33789762       0.65629190 
O       9.31797271       8.59893871      -8.55257076       0.30259920      -0.30780759       0.74277115 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018029088444429263 -0.0019512477085322853 0.002805644990472701 -0.0019512477085322853 -0.0215525049746126 -0.001750292903787203 0.002805644990472701 -0.001750292903787203 -0.017861230614956182" pbc="T T T" energy=-946.86893431 free_energy=-946.9048391 config_type=crystal 
Hf       2.77632818       2.10925370      -9.42094541       0.38378976       0.48249643      -0.14966400 
Hf       7.94496692       2.99922442      -4.14601024       1.11911907      -0.55606067      -0.32016984 
Hf       8.06500797       2.13115504      -9.39365439      -0.59223228       0.42331714       0.17247541 
Hf       2.88708197       8.09762576      -4.19670412       0.31225112      -0.02880897       0.96689307 
Hf       2.88281758       7.27023463      -9.47006693      -1.25247260      -0.87034501       0.11659396 
Hf       7.93915407       8.26574688      -4.10649286      -0.04492224      -0.50089276      -1.19364892 
Hf       7.99619066       7.33716583      -9.36078073      -0.29892898      -0.42914459      -0.81357272 
Hf       0.25141501       0.81930466      -3.73015967       0.33365302      -0.93654529      -0.55134062 
Hf       0.25851418      -0.16105268      -8.88662471       0.50633468       0.88439123      -0.14179332 
Hf       5.31899743       0.84248987      -3.76085246      -0.46469651       0.24753957       0.04938709 
Hf       5.40166521      -0.07586575      -8.93759980      -0.51736891       0.61845120      -0.51072679 
Hf      10.31694689       5.95027958      -3.54836535       0.47333278      -0.52429805       0.77343759 
Hf       0.12746357       5.03662499      -8.95461821       1.50030428       0.52567991       0.19608346 
Hf       5.45973023       5.83316774      -3.73397285      -0.40908821       0.22547124       0.22255362 
Hf       5.42494633       5.11371919      -9.00588500      -0.08531742      -1.44925562       0.26705703 
Hf       2.39951654       1.22449216      -1.07857063       0.08365277       0.08014575      -1.15111729 
Hf       2.45447081       0.37260953      -6.23184518      -0.33762268       0.37865189      -1.19247419 
Hf       7.49991661       1.36226858      -1.07804025       0.65741904      -1.45288228      -0.04744054 
Hf       7.61869825       0.28974588      -6.39146636      -0.29717260       1.92722617       1.20670586 
Hf       2.28739633       6.38956199      -1.11475554       0.37410935       0.28988631      -0.25527543 
Hf       2.56927890       5.33017447      -6.51964690      -0.61130729      -0.46330288       0.55590944 
Hf       7.55693304       6.37841731      -1.05296853       0.11587569      -0.46611003       0.47462279 
Hf       7.58850250       5.43551456      -6.36751390      -0.30943855       0.20016211       0.19611053 
Hf       4.94655824       3.43333135      -1.62594912      -1.07073491       0.55560863       0.65753526 
Hf       4.94082851       2.57594596      -6.78533480       1.37289174      -1.52020206       0.07633627 
Hf      10.22692434       3.37888905      -1.46066403      -0.39918480       0.51850257      -1.06368620 
Hf      10.21550572       2.52507274      -6.74988997      -0.09875872       0.27836449       0.66494722 
Hf       5.02818242       8.56954915      -1.61613139      -0.64498425       0.03753048       0.63281535 
Hf       4.99743515       7.69926267      -6.79760683       0.40071339      -0.01018516       0.48308453 
Hf      10.10244944       8.66714924      -1.48986385       1.07812493      -0.21307455       0.03907308 
Hf      10.14971582       7.75249615      -6.78687681       0.74673830      -0.62106250      -0.23265524 
O       1.13236957       2.20947690      -2.66726462       1.04403032       0.53403238       0.96160710 
O       1.40149089       1.38626622      -7.95348445      -0.75604196       0.71350636      -0.81152462 
O       6.50651193       2.34718909      -2.69829270      -0.00728505       0.17687578      -0.35338293 
O       6.54062026       1.42316986      -8.04236245       0.29366270       0.22330602       0.42001723 
O       1.24279732       7.48542307      -2.71687621       0.25947375       0.32440162      -0.09922599 
O       1.32280051       6.57224245      -7.99283666       0.17979324      -0.00568399      -0.05747082 
O       6.61939843       7.52882327      -2.64235503      -0.65286328      -0.11365042      -0.79377815 
O       6.50578555       6.62896286      -8.03173859       0.06667601       0.35467665       0.31091561 
O       4.08199997       1.23164403      -5.35357552       0.25913414      -0.00994034       0.91819948 
O       3.91924702       0.63849750     -10.42592343       0.38953891      -0.76524895       0.48143558 
O       9.16656959       1.47879491      -5.09986028      -1.21200488       0.06423340       0.13912731 
O       9.14638634       0.55463687     -10.30099461       0.07470258      -0.04494457      -0.30388968 
O       4.10804003       6.54625980      -5.17112428      -1.41415557       0.13130394      -0.57413248 
O       3.95023347       5.67478388     -10.48308136       0.17393447      -0.16081214       0.81734753 
O       9.28645811       6.65483647      -5.18182060      -1.09087673       0.34196074       0.24168499 
O       9.04589650       5.72559531     -10.35061218       0.60798014       0.18885242      -0.15377225 
O       3.90050666       1.73310222      -2.41868658       0.26076538      -0.07327133       0.10482213 
O       3.84237400       1.02256929      -7.82232868       0.54033347      -0.41766321      -0.40746057 
O       9.02443316       1.94979330      -2.46423067      -0.90519270      -0.79015746       0.08627842 
O       9.04584901       1.05446297      -7.73590068       0.47114623      -0.31930518      -0.18714488 
O       3.81468657       7.04308988      -2.56943897       0.30789099      -0.47232600       0.12141779 
O       3.90256550       6.09936705      -7.78145494       0.67136674       1.02477407      -1.27694320 
O       9.04008645       7.05265735      -2.52787177      -1.19202380       0.31260578       1.30295394 
O       9.01761266       6.13227467      -7.72002684       0.47610144       0.66277156      -0.70801931 
O       1.31308340       2.81823827      -0.17242706       0.12130954      -0.59552229       1.40425696 
O       1.15126079       1.70503566      -5.40853275       0.28667335       0.50963954       0.25049883 
O       6.47209979       2.93843249      -0.12020671       0.01988046      -0.77066001      -0.06895135 
O       6.48200642       1.99009905      -5.34782078       0.45478121      -0.07623650      -0.14590838 
O       1.25850162       7.95846364      -0.01797007      -0.63008867      -0.16472278      -0.90549999 
O       1.41930411       7.02703017      -5.43395057       0.71331288       0.24495796      -0.11196901 
O       6.45900418       7.92665589      -0.04233363      -0.06515528       0.71958766      -0.89856777 
O       6.46140008       6.98183559      -5.37133789       1.03423517       1.07908883      -0.14573118 
O       3.41150177       4.71445466      -0.86342583       0.81514100      -0.44254086       0.38301701 
O       3.62452516       3.73610728      -6.09217270      -1.69552729       1.33709207       0.81016629 
O       8.79120397       4.72517612      -0.72705599      -0.36694895       0.06481916      -0.00097851 
O       8.77260213       3.84701731      -6.00516927       0.20096951      -0.79997509       0.13153073 
O       3.52242316       9.77297672      -0.86527110      -0.27448916       0.31221977       0.74222665 
O       3.57385802       8.90231162      -6.07494523      -0.13924793      -0.63741636       0.22634314 
O       8.76648536       9.94193979      -0.67820611      -0.32909074      -0.01401205      -0.13444004 
O       8.84710677       9.02609243      -5.99123047      -1.28202038      -0.00273762       0.67102050 
O       1.01863148      -0.11703085      -1.81272523      -0.42071085       0.21227095      -0.21758431 
O       0.90690578      -0.82654638      -7.01574935      -0.45590145      -1.37435641      -0.30879821 
O       6.14552139      -0.04323261      -1.85262567       0.50598082       0.88838931       0.14549777 
O       6.18700215      -0.88503005      -7.02368422      -1.07575191      -0.94977894      -1.24111193 
O       0.91134659       5.11522514      -1.88044287      -0.08624594      -0.29303354      -0.13413877 
O       1.00945155       4.19707260      -7.03747485      -0.31280065      -0.11009684      -0.55622243 
O       6.11529280       5.16825124      -1.84787573       0.33020699       0.10986559       0.56929366 
O       6.04667633       4.31307346      -6.99614454       0.68877949       0.40873018      -0.86025524 
O       1.75537561      -0.54861140      -4.53095255      -0.87872582       0.21144042       1.38150316 
O       1.72896722      -1.36386578      -9.56361528      -0.39001034       0.76080510      -1.29752489 
O       6.78426041      -0.37095813      -4.49083170       1.31083110      -0.94595074      -0.15905012 
O       6.83081029      -1.30326099      -9.73581742      -0.15364369       0.32280861       0.16391576 
O       1.58018370       5.71133768      -4.72911539       0.38791938      -0.18514035      -0.08982623 
O       1.53799921       3.73713478      -9.79127552       0.01186850       0.41339202       0.48373946 
O       7.05801393       4.79568051      -4.46251278      -0.50904111      -0.23565353       0.82032789 
O       6.93279030       3.88374876      -9.67055229      -0.29144799      -0.56646869       0.16210814 
O       4.44234237       4.15513117      -3.40493250      -0.02034583       0.60565784      -0.79456026 
O       4.23328734       3.37709873      -8.59994089      -0.13319415       0.46412202      -1.20347752 
O       9.47494212       4.18980604      -3.35898824      -0.09723893      -0.10640986      -0.17708680 
O       9.42234863       3.42071061      -8.55696924      -0.14104543      -0.69555472      -0.21353905 
O       4.36008583       9.30415803      -3.45380622      -0.11733640       0.26543007      -0.30809265 
O       4.20679116       8.53998839      -8.71028671       1.32579458      -0.13111785       0.92114294 
O       9.38822835       9.34713433      -3.35461202       0.76046186       1.16660192       0.38469894 
O       9.40166092       8.56066460      -8.55545170      -0.05503411      -0.46375055       0.06008140 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018720618813563458 0.0069902056206561265 0.004889339906912715 0.0069902056206561265 -0.021667784275035653 -0.00528190756258475 0.004889339906912715 -0.00528190756258475 -0.01806833138380545" pbc="T T T" energy=-946.7202781 free_energy=-946.75300404 config_type=crystal 
Hf       2.72762138       2.18876051      -9.33887451       0.36966613      -0.59604595      -0.23246468 
Hf       8.01607165       2.98564983      -4.19959147       0.13310245      -0.42537744       0.37967389 
Hf       8.09129988       2.11411789      -9.42228549      -0.90979268       0.70051593       0.70298441 
Hf       2.91518522       8.15580239      -4.15427808       0.36594297      -1.10629958       0.32624941 
Hf       2.80323592       7.27265979      -9.43802891       0.37901250      -0.45176627      -0.06153939 
Hf       7.96598659       8.18703997      -4.14275317       0.20834724       0.60952401       0.23460868 
Hf       7.96986258       7.33857122      -9.40203259      -0.17209645      -0.72419428       0.23828334 
Hf       0.29959969       0.78728683      -3.73365153       0.26509002       0.22634222       0.17029648 
Hf       0.27047039      -0.11932899      -8.95957312      -0.16902879       0.04330723       0.08278956 
Hf       5.33691320       0.90243833      -3.71673666       0.61292958      -0.71155000      -0.08514504 
Hf       5.36580799      -0.00195824      -8.97551154       0.32415264      -1.34413187       0.02335755 
Hf      10.34556042       6.00184378      -3.51182940       0.53877116      -1.06833153       1.02203506 
Hf       0.18708796       5.03172938      -8.96541722       0.07792653       0.92023174       0.58816826 
Hf       5.43267141       5.90597305      -3.71581839      -0.80088919      -0.34474606       0.18352878 
Hf       5.38628228       4.99882575      -9.00069036       0.47537410       0.72208365      -0.24955758 
Hf       2.48898852       1.30806686      -1.09622359      -1.34461314      -0.79952570      -0.69268577 
Hf       2.52640210       0.37951757      -6.25605796      -1.26406864      -0.00803684      -0.01639775 
Hf       7.48063160       1.34810647      -1.09174131       0.92279182      -1.36646308      -0.90988935 
Hf       7.54996759       0.26711234      -6.35367402       0.16954163       0.69994096       0.13017789 
Hf       2.40753037       6.33217307      -1.09088950      -1.11841447       0.45898531      -1.05436380 
Hf       2.57679493       5.28029404      -6.49683910      -0.12924267      -0.09856281      -0.47754225 
Hf       7.51827532       6.35873125      -1.03753592      -0.16208607       0.37828496       0.66251433 
Hf       7.56843655       5.48610676      -6.34872856      -0.33923472      -0.30784968      -0.38051840 
Hf       4.87165876       3.51147161      -1.53521209       0.40529273      -0.34429228      -1.29011967 
Hf       5.00872535       2.54582983      -6.82287660       1.69868330      -0.50527782       1.03376522 
Hf      10.14508030       3.31099436      -1.47387755       0.40886466       1.00526485      -1.79942062 
Hf      10.18164686       2.47156680      -6.78772179       0.38555482       0.80685388       1.67729000 
Hf       4.97524179       8.58918777      -1.52902284       0.50400077       0.03760779      -0.40133110 
Hf       4.99186439       7.69254872      -6.80462815       0.15167344      -0.61292523      -0.34613722 
Hf      10.11699938       8.61355559      -1.43164199       0.73239658       1.20646325      -1.34144205 
Hf      10.15035649       7.80949879      -6.89097625       0.71312146      -2.56794844       0.88511016 
O       1.21255802       2.26096787      -2.50235262       0.26046435      -0.58787137      -0.18923393 
O       1.30429020       1.45590977      -7.94559043       0.70347665      -0.28897922       0.01150898 
O       6.54956599       2.46226990      -2.70799944      -0.46062534      -0.31140871      -0.25938169 
O       6.58236877       1.45956698      -8.03014649       0.07765692      -0.39134413       0.05924195 
O       1.33864238       7.47453373      -2.75648263       0.03837277      -0.24503261       0.45105360 
O       1.32983661       6.54914253      -8.03946923       0.36088586       0.03369335      -0.09283793 
O       6.50782090       7.58374686      -2.67903557       0.71431898      -0.84791685      -0.74352465 
O       6.49558217       6.59692187      -8.09183008       0.21788144       0.59755206       0.83215629 
O       4.12189954       1.14653316      -5.32837695       0.80722336       0.74569548       0.46427467 
O       3.80377925       0.67860708     -10.41411457       0.47703324      -1.12864391       0.90681471 
O       9.11891783       1.43383051      -5.14388220       0.73660741      -0.38069168      -0.52924147 
O       9.08028962       0.55678830     -10.42730142       0.07546571      -0.82857967       0.79187748 
O       3.95841261       6.48147077      -5.17904383       0.64703277       0.47055086      -0.23396695 
O       3.92224150       5.56913975     -10.42948816      -1.15119053       0.61376499      -0.20390014 
O       9.24472445       6.71421414      -5.05915151      -0.70224983      -0.23808156      -0.35700657 
O       9.05279409       5.80104408     -10.28823765       0.20384414      -1.10607469      -0.72651063 
O       3.96169272       1.72964841      -2.43457019       0.22786064       0.60856448       0.45127989 
O       3.93784159       1.03342376      -7.80324618      -1.13857046      -0.69227093      -0.41348665 
O       9.04405669       1.83456364      -2.64458178      -0.36268929       0.25507304       1.39800433 
O       9.08013075       0.98546693      -7.73545545      -0.07142992      -0.56428051      -0.79439293 
O       3.94999574       6.98387993      -2.57226992      -1.06330287       0.30942110       0.86480582 
O       3.88588045       6.11857791      -7.85925966      -0.19950801       0.27342706       0.10371836 
O       8.96810072       7.10231952      -2.44367398       0.09136740      -0.27868751       0.55047563 
O       9.01297838       6.16858337      -7.70032448       0.23974863      -0.07336340      -0.24595611 
O       1.14670174       1.08366254     -10.49354971       0.86333475      -0.51439692       0.25803876 
O       1.27125228       1.76529593      -5.33026359      -0.72460238      -0.05457616      -0.75572166 
O       6.32903998       2.75318221      -0.10873986       0.19399112       0.78388035       0.22754847 
O       6.66726974       1.89625114      -5.39046848      -2.11975807       0.37159309      -0.21527143 
O       1.16843959       7.89920487      -0.13092192       0.91111260      -0.13201413       0.22242417 
O       1.44894700       7.01745786      -5.40806085      -0.05521228       0.58929428      -0.55394594 
O       6.34045673       7.92416541      -0.09056639       1.15932343      -0.00297112      -0.14986116 
O       6.48712146       7.02611695      -5.35649920       0.13998562       0.41283543      -0.04982695 
O       3.42081023       4.65278647      -0.73584887       0.00989782       0.63152882      -0.08967474 
O       3.72915636       3.77059132      -6.11833711      -1.35101250       0.62545518       0.55036617 
O       8.64952825       4.62701168      -0.79552484      -0.04014704       0.67924822      -0.00702856 
O       8.67715511       3.85385857      -6.00386845       0.94233605      -0.76374726      -0.70803003 
O       3.50582050       9.75787685      -0.84085514      -0.64085049       0.41566208       0.76956776 
O       3.52376963       8.84937515      -6.10793555      -0.27910413      -0.19508392       0.49287421 
O       8.72580881       9.89454109      -0.82456978      -0.38445897       0.22613360       0.47874272 
O       8.66901442       8.83695871      -6.17672698      -1.23484860       1.23453287       1.07378195 
O       1.09956970      -0.10021972      -1.93725009      -0.50854139      -0.05814219       0.53507435 
O       0.95966687      -0.96016264      -7.10587608       0.75550422       1.26145608      -0.30858596 
O       6.10883627       0.06079683      -1.75151343      -0.32540764      -0.32278245      -0.43771665 
O       6.04578505      -0.89499743      -7.06333569       0.40937788       0.67017312      -0.43465332 
O       0.89333148       4.99585361      -1.85012506       0.37471859       1.34508538       0.13633447 
O       0.95030355       4.15793680      -7.12074154       0.61193042       0.38627878       0.35485258 
O       6.11305058       5.17658279      -1.71547837      -0.57952874      -0.05956507      -0.69480804 
O       6.10408635       4.33764589      -7.20319718       0.61455348      -0.62715380       1.44777357 
O       1.78720742      -0.55928879      -4.48281461      -0.95763417       0.93408492      -0.05383229 
O       1.66732534      -1.37393830      -9.76942643       0.17838249       0.59277696      -0.00911315 
O       6.86724063      -0.45509698      -4.45929960       0.07583801       0.30053247      -0.19153334 
O       6.95567077      -1.28552866      -9.69618139      -0.92411217       1.15182479       0.27804860 
O       1.50578025       5.66617692      -4.80558180      -0.28304813      -0.47314996       0.49846118 
O       1.64406511       3.83030340      -9.70269689       0.33504916       0.27820160      -0.31842573 
O       6.81351169       4.65153359      -4.46599866       0.22822660       0.40886850      -0.21517489 
O       6.86492339       3.78181841      -9.63097296       0.96179636      -0.24996105      -0.95422619 
O       4.23606509       4.31284723      -3.30178001       0.51299073       0.20298749       0.09745026 
O       4.32714319       3.26946308      -8.65128529      -0.68654688       0.33824432      -0.77672803 
O       9.45250573       4.22430508      -3.46535297       0.42641925       0.24956812       0.65938849 
O       9.54152759       3.34191217      -8.65572137      -1.10136024      -1.05169302      -0.21528631 
O       4.37611857       9.35782028      -3.41274630      -0.16591911       0.10066870      -0.27017123 
O       4.35026814       8.46347011      -8.70305601      -0.71202384       0.09123302      -0.51269447 
O       9.46708227       9.41929726      -3.32820147      -0.18287403      -0.67807918      -0.91352882 
O       9.58232249       8.42289489      -8.73211564      -0.48780172       0.46135345      -0.37420796 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013369525276997477 0.0014070942745839875 0.005019581196974611 0.0014070942745839875 -0.023297412485873168 -0.0007226731341403931 0.005019581196974611 -0.0007226731341403931 -0.016578612610597895" pbc="T T T" energy=-947.00575819 free_energy=-947.03984566 config_type=crystal 
Hf       2.77322865       2.06927475      -9.42301885      -0.26471342       0.54401803       0.55234952 
Hf       8.03036371       3.00975041      -4.18367321      -0.28585818      -1.15040822       1.58547073 
Hf       8.07070611       2.10895229      -9.43586159      -0.35605881       0.03876888       0.52467407 
Hf       2.89324248       8.17524400      -4.09117545       0.65176769       0.49244935       0.65425680 
Hf       2.74900181       7.31765944      -9.53361647       0.51257627      -0.09482423       1.63324711 
Hf       8.00718016       8.17308394      -4.23839271      -0.99488170       1.37205293       0.81997995 
Hf       7.96427842       7.30694523      -9.41323997      -0.08357254      -0.79602022      -0.16980124 
Hf       0.24023401       0.76397983      -3.73786342      -0.02322588       0.16511699       0.57304560 
Hf       0.19502906      -0.14952664      -8.94897509       0.12546767       1.12377225       0.35827173 
Hf       5.36112384       0.85683857      -3.70142902      -0.72238785      -0.43353752      -0.86540259 
Hf       5.36207143      -0.10286291      -9.01291147       0.17414298       0.63290025       0.63924217 
Hf      10.35475292       5.99877553      -3.40971783       0.26294556      -0.80743227       0.85718651 
Hf       0.22514024       5.08822414      -8.97221929       0.04354329      -1.52045774       0.00801860 
Hf       5.42325219       5.95735824      -3.74567974      -0.04363249      -0.49508607       0.58819966 
Hf       5.37947726       4.97441285      -9.03243216      -0.00095611       0.99924947       1.07442993 
Hf       2.38098857       1.22571024      -1.16687446      -0.21346103       0.42311015      -0.06996133 
Hf       2.42557582       0.35048691      -6.30627774       0.24925335       0.64025147       0.18236903 
Hf       7.53045857       1.29202397      -1.05704401      -0.06849901      -0.57729209      -0.97125223 
Hf       7.49765786       0.43477623      -6.39891348       0.38544151      -1.01427488       0.68113189 
Hf       2.43954890       6.40768754      -1.06429141      -1.04015391       0.05178565       0.15512438 
Hf       2.60722737       5.39954852      -6.46391336      -0.44229800      -0.71599652      -0.60935213 
Hf       7.47249548       6.34856743      -1.00180621       1.57245410      -0.45529341      -1.37359857 
Hf       7.65652952       5.40259529      -6.25458084      -0.74377191       0.71664038      -1.66046620 
Hf       4.85793577       3.44454639      -1.61638781       0.03197541       0.15776308      -0.53915935 
Hf       5.06823462       2.60193294      -6.73325956      -1.83441257      -0.73471167      -0.88133389 
Hf      10.20952735       3.37621560      -1.47605736       0.20291156       0.25038953      -0.03212542 
Hf      10.27433733       2.49372121      -6.73786543      -0.50111442       0.11850627      -0.58051319 
Hf       5.03521509       8.58410746      -1.52389372      -0.81701327       0.24638869      -0.10975599 
Hf       4.98477260       7.68074368      -6.78016967       1.13645123       0.83232227      -1.05274530 
Hf      10.17480381       8.63107012      -1.47362921      -0.30203955      -0.08145462      -0.54803335 
Hf      10.06224606       7.72099029      -6.84857657       1.52897725      -0.20827192       0.46188372 
O       1.16764307       2.26214236      -2.55177310       0.20649610      -0.44622355      -0.35904955 
O       1.31264878       1.48757284      -7.93191100       0.08007698      -0.60084363      -0.28735715 
O       6.41632698       2.32247870      -2.76147293       1.13909842       0.91199664       0.19906648 
O       6.56191454       1.54233921      -8.03676564      -0.63840337      -0.42739747       0.54234841 
O       1.37049633       7.52884444      -2.59276759      -0.74213162       0.03794461      -0.88329292 
O       1.32847319       6.58715569      -8.01133659       0.28540483       0.39523697       0.48177256 
O       6.52846205       7.50037123      -2.73029428      -0.12921440      -0.05611821      -0.09099833 
O       6.51598102       6.60090581      -8.05588857       0.39565727       0.14403483       0.16883197 
O       4.16114472       1.29882189      -5.38621270      -0.65155412      -0.82672217       1.08357519 
O       3.84216547       0.54203979     -10.41409074       0.24791540      -0.08683668      -0.26712613 
O       9.04917308       1.41297541      -5.11966134       0.53463752      -0.08786842       0.32130369 
O       9.10259353       0.55488594     -10.36377498       0.39144257      -0.50056804      -0.06128417 
O       4.00661579       6.58864238      -5.21737075      -0.35820445      -0.26762465       0.57164637 
O       3.84669169       5.73488244     -10.36681112       1.09902501      -0.86518640      -0.11994975 
O       9.16531195       6.62281113      -5.12287735       0.22846345      -0.33102188      -0.16671123 
O       9.16496865       5.69453130     -10.45418018      -0.70762737       0.13965166       0.94562427 
O       3.88098922       1.77334527      -2.48410575       0.13017261       0.16043385       0.38897716 
O       3.81296822       1.05952589      -7.81448957       0.50535635      -0.59987661      -0.31528661 
O       8.98339711       1.90050278      -2.46380508      -0.14485084      -0.06580354      -0.44367112 
O       9.01113514       0.94667641      -7.71282333       0.76900962       0.07045006      -0.47164832 
O       3.83661404       7.07359596      -2.50472701       0.91277288      -0.55790973      -0.32442354 
O       3.96399500       6.22662104      -7.84226845      -1.15467081      -0.95594449       0.19196997 
O       8.97187915       7.06023915      -2.45566166      -0.14400391       0.29618389      -0.06274319 
O       9.04564848       6.07131306      -7.82263656      -0.18675899       0.19873063       0.86818451 
O       1.27102983       1.01290525     -10.48990591      -0.52018249       0.16656868      -0.80230234 
O       1.15040297       1.72497498      -5.34176551       0.37626498       0.08881349      -0.42837474 
O       6.35459439       2.74560810      -0.13896348      -0.04025974       0.68351317      -0.13258251 
O       6.51470083       1.99274362      -5.35172122       0.18653805       0.68468239      -0.30846509 
O       1.26164406       7.89312152      -0.05260688      -0.27266022       0.95330366      -0.28370438 
O       1.41617019       7.21453987      -5.23201665      -1.20202384      -0.94067106      -1.25863122 
O       6.40707795       7.91446270      -0.09486533       0.38167634       0.06082968       0.13122617 
O       6.47356171       7.10212266      -5.41847659       0.45841481      -0.52578643       0.31726968 
O       3.54667036       4.77128760      -0.69682628       0.54306813      -1.00990736      -0.84671060 
O       3.53821287       3.76577135      -6.03178279       0.35032752       0.36178463      -0.66808800 
O       8.73631828       4.65513037      -0.82160042      -0.93095762       0.66901924       0.56301644 
O       8.76840819       3.72373073      -5.98216700      -0.13271136       0.89110602      -0.35507436 
O       3.51069636       9.75194337      -0.79630189      -0.61860267       0.96969688      -0.66719226 
O       3.60483752       8.91706816      -5.99606473      -0.88420026       0.33335641       0.05132545 
O       8.72870074       9.89765160      -0.78450028      -0.19910238      -0.35851303       0.48911155 
O       8.68611248       8.91520285      -6.06490919      -0.47681907       0.52220779      -0.01982127 
O       0.99365041      -0.12216596      -1.88775947       0.15897943       0.48632704      -0.19344238 
O       0.90177921      -0.90016200      -7.14418767       0.29059178      -0.49876273       0.49574363 
O       6.08224398      -0.02712734      -1.73139295       0.84737142       0.95932312      -0.06279036 
O       6.05793827      -0.87464416      -7.06396383       0.23239240       0.65734499      -0.70210785 
O       0.92804567       5.19505811      -1.76198546      -0.54198110      -0.91639237      -0.53329733 
O       0.97100195       4.25622839      -7.09847967       0.02079545      -0.17602478       0.40895339 
O       6.15754483       5.08286189      -1.81314977      -0.51550772       0.32814825      -0.31315097 
O       6.14042111       4.28620104      -7.07796762       0.25953558       0.57638014       0.04910602 
O       1.70052098      -0.53036424      -4.49372315      -0.16918205       0.18545485       0.27529382 
O       1.55761307      -1.31927135      -9.82229530       0.56983443      -0.92938106       0.02807097 
O       6.86196829      -0.32913688      -4.50613410       0.35625004      -1.06289860       0.34842551 
O       7.02536108      -1.19870335      -9.62992364      -0.55317578      -0.45581935       0.26013682 
O       1.48944941       5.76547670      -4.73926956       0.53217421       0.31397061      -0.58331587 
O       1.67297527       3.82616714      -9.72990821       0.05154733      -0.22933894       0.50286459 
O       7.01894237       4.81356190      -4.38499053      -0.31774823      -0.21959669      -0.30319826 
O       6.88236963       3.79490988      -9.70594178       0.14675512      -0.06185566       0.12445918 
O       4.25232081       4.38418207      -3.41262219       0.41325661      -0.21278483       0.72699826 
O       4.28895190       3.29588856      -8.79580158       0.60877151       0.75187286       1.24803521 
O       9.46998657       4.19903507      -3.31806515       0.71792483       0.60738252      -0.54312440 
O       9.54790079       3.20292916      -8.70760203       0.33258752       1.10202775       0.34382583 
O       4.35292899       9.38153828      -3.32092194      -0.46132298      -0.08571450      -0.90929511 
O       4.29535325       8.52749871      -8.82021723      -0.39764188      -0.52810796       0.70835582 
O       9.41808050       9.35936490      -3.37865752       0.42263555      -0.01610897      -0.22155721 
O       9.47082029       8.41216697      -8.62374120      -0.18751085       0.40344698      -0.65469029 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012442551283794142 1.4862131734334195e-05 0.0016168982035866192 1.4862131734334195e-05 -0.011834931601069087 -0.00013535040842857867 0.0016168982035866192 -0.00013535040842857867 -0.011381219837607558" pbc="T T T" energy=-946.75131181 free_energy=-946.78395797 config_type=crystal 
Hf       2.78463106       2.14855239      -9.37252920       0.98546038      -0.19349916      -0.75005160 
Hf       7.97526668       2.94995814      -4.21558764       0.15098870       0.06029141       1.06295011 
Hf       8.02917382       2.16395259      -9.34733767       0.35494416      -0.92256401      -0.93563688 
Hf       2.85324909       8.12932547      -4.13182206       0.22437686      -1.05483565      -0.63634628 
Hf       2.80761388       7.27615612      -9.41697062       0.39199451      -0.23201369      -0.33373017 
Hf       7.95255599       8.23292184      -4.08743294       0.07461978       0.54175957      -1.59445767 
Hf       7.98116245       7.31747790      -9.35050454      -0.10470487       0.24747579      -1.72585789 
Hf       0.34715711       0.78033641      -3.77568075      -0.64032051       0.54774684       0.52215931 
Hf       0.22914320      -0.11788825      -8.90000078       0.07188366       0.79462383      -0.64542760 
Hf       5.27514602       0.83780529      -3.79082113       0.46906994       0.08127995       1.12489245 
Hf       5.41516823      -0.03806989      -8.95680842      -1.21532015      -0.01275272      -0.40685277 
Hf      10.30902835       5.96737161      -3.47742865       1.06701043      -0.49794816      -0.67710648 
Hf       0.18764187       5.02947364      -8.90748812       0.56640494      -0.03663927      -0.72728621 
Hf       5.40318001       5.90397567      -3.70733244      -0.31817831      -0.23861854      -0.81378339 
Hf       5.40464162       5.05746888      -9.01884021      -0.13128341      -0.22608424      -0.43144148 
Hf       2.42838785       1.24617446      -1.07573023      -0.21714912       0.43585098      -0.08526524 
Hf       2.42618282       0.39260078      -6.34809285       0.26397887      -0.34585019       0.72399949 
Hf       7.48647593       1.36140017      -1.12256535       0.04190988      -1.10576157       0.25576171 
Hf       7.51996188       0.35075754      -6.36725810       1.26077298      -0.34460126       0.50243161 
Hf       2.32072289       6.35825668      -1.14840530       0.92250610       0.76186915       1.21751490 
Hf       2.59150249       5.30137658      -6.56501845      -1.01183254       1.48363656       0.44825074 
Hf       7.58817614       6.35470337      -1.05991382      -0.56779361       0.29670698       0.49845362 
Hf       7.58490112       5.38761242      -6.35414854       0.08083896       0.44374203       0.79723723 
Hf       4.90687687       3.55316081      -1.64237760      -0.03576583      -0.80193312       0.15187061 
Hf       4.97371369       2.53766295      -6.73303244      -0.73649682       0.29920377      -0.43012782 
Hf      10.24671463       3.35323187      -1.51447029      -1.11970913       0.04664547      -0.07565927 
Hf      10.23986545       2.50524530      -6.72169033      -1.10974576       0.02021701      -1.22379483 
Hf       4.98679569       8.56941541      -1.59122841      -0.38838044       0.33507105       0.73518168 
Hf       5.08692354       7.75344906      -6.75394173      -0.84001531      -0.81611374      -0.34294939 
Hf      10.20133938       8.67259085      -1.45886129      -0.83277611       0.39951455      -0.33287408 
Hf      10.17085987       7.66942043      -6.80267221      -0.44575520       0.64376088       0.07261141 
O       1.23828990       2.29161876      -2.56240546      -0.09533264      -0.57612282      -0.57866975 
O       1.34645090       1.51215698      -8.02127560      -0.37193960      -0.74886038       0.46505660 
O       6.40704564       2.43425226      -2.76208942       1.38692540      -0.32799733      -0.42245939 
O       6.57836446       1.48711502      -7.99151463      -0.30521982       0.12579712       0.36253286 
O       1.30235397       7.48216185      -2.80630056      -0.44544605       0.55081480       0.97242410 
O       1.35112404       6.56901149      -8.03940612      -0.61501517       0.09771728       0.46863843 
O       6.55607405       7.55526084      -2.71079480      -0.22003614      -0.19086351      -0.17021927 
O       6.53939514       6.61790891      -8.01579072      -0.06126062      -0.10470357       0.32441540 
O       4.05140149       1.26953896      -5.25721344      -0.92164351      -0.11386664      -0.85549277 
O       3.92027368       0.51804036     -10.32313635      -0.96136019       0.51492291      -0.48310739 
O       9.12640726       1.39372374      -5.17310060       0.02793838      -0.09046155       1.13500731 
O       9.07553658       0.54073060     -10.33463711       0.29033942       0.07782747      -0.35388868 
O       3.95049895       6.46648335      -5.22399336       1.29606366       0.90808891       0.20967287 
O       3.90528028       7.58960481      -0.01712656       0.23514059      -1.25300975       1.00214759 
O       9.24970889       6.63426604      -5.12013848      -0.02818276       0.12749873       0.15466327 
O       9.08557703       5.71390933     -10.39047618       0.01482401       0.39686322       0.92366075 
O       3.97516634       1.79305579      -2.40426560      -0.59058169      -0.32963422       0.38861999 
O       3.80156872       1.02225300      -7.78122425       0.53575327       0.22195511      -0.03952111 
O       8.98059297       1.84186794      -2.55067505      -0.08023115       0.58685738       0.19821546 
O       9.07764809       0.89059640      -7.66571561       0.43686463       0.62285222      -0.94385644 
O       3.78658986       6.88491849      -2.49900860       0.79484610       1.17333578      -0.96298620 
O       3.90787151       6.11542957      -7.88491101       0.66266017       0.05047247      -0.07101917 
O       9.06739828       7.05871589      -2.38425317      -0.57473322       0.60036233      -0.38972896 
O       9.00644320       6.10446763      -7.73770961       0.72600105       0.51778809      -0.23340200 
O       1.21110442       2.79544472      -0.03343019       0.63450997       0.13936059       0.12501216 
O       1.22318210       1.83654511      -5.50233731       0.58924096      -1.13059412       1.66036166 
O       6.39315496       2.80016850      -0.04666670       0.29436091       0.71499256      -1.01088433 
O       6.47656939       1.87853994      -5.40469604       0.16963815       0.90593887       0.78961193 
O       1.20735851       7.98697901      -0.03676937      -0.05317779      -0.63980589      -1.20063918 
O       1.49180624       7.02650565      -5.51438190      -0.28530750       0.23874751       0.30960842 
O       6.39871231       8.01288178      -0.13327185       0.72778655      -0.67309851       0.74318381 
O       6.60101499       6.97348779      -5.33612302      -1.03230667       1.06218426      -0.69928322 
O       3.53397654       4.73553123      -0.80789317      -0.95433509      -0.16136278       0.46618277 
O       3.47968870       3.73879996      -6.14676356       1.49148367      -1.92694632      -0.13159032 
O       8.68324122       4.67917346      -0.80609179       0.47131770      -0.43832914       0.00538086 
O       8.66811431       3.63750337      -6.07733328      -0.50511211       1.23959900       0.35365708 
O       3.51281951       9.85333297      -0.75370028       0.26097793      -0.10767566      -0.69583281 
O       3.58113601       8.85934057      -6.04604143      -0.78849947       0.46901032       0.29593486 
O       8.60370404       9.89175947      -0.84267720       0.46393163      -0.51095586       0.60521718 
O       8.65164642       8.90842020      -6.06126612       0.05355901      -0.39138769      -0.03308748 
O       0.99999711      -0.07856630      -1.88512855       0.19028371       0.40867667       0.16265514 
O       0.96621462      -0.96631784      -7.02850493      -0.05930146       0.33848395      -0.25348333 
O       6.07857090      -0.02308003      -1.88479169       0.57008614       0.98997908       0.35045978 
O       5.98004285      -0.74469495      -7.03184265       0.16576298      -0.73214725      -0.41061202 
O       0.97568122       5.10496988      -1.86031063      -1.03150058      -0.79714995      -0.06410122 
O       0.92536040       4.22035307      -7.07482847      -0.31770908       0.37405136       0.07916290 
O       6.05126292       5.28020293      -1.82698670       0.04522695      -0.60091270       0.26688212 
O       6.11133327       4.27090113      -7.02911596      -0.47864655      -0.01725280      -0.69399375 
O       1.75499595      -0.49079442      -4.42940097      -0.08570464       0.39858642      -0.53027271 
O       1.61328968      -1.41116070      -9.70558760       0.06766162       1.03622990      -0.26699729 
O       6.64158182      -0.51218263      -4.55285519       1.61910873      -0.25212146       0.30394778 
O       6.79852795      -1.27034312      -9.63805277       1.35454656      -1.12027622      -0.51085355 
O       1.59372693       5.72191952      -4.75577133      -0.78638365       0.07235190       0.10468988 
O       1.81097200       3.91045742      -9.61362358      -0.66617417       0.20232720      -0.49189445 
O       6.99273784       4.81683937      -4.37575800       0.41585693      -1.43656996      -0.46047074 
O       6.90973206       3.78295864      -9.74899187      -0.58958082       1.19229656       0.62660183 
O       4.32287184       4.22436162      -3.48274058       0.52594441       0.35046926       0.54460331 
O       4.41222287       3.27466854      -8.77577980      -0.14453992       0.24562751       0.61177867 
O       9.41680727       4.23208175      -3.40589299       0.36965887      -0.81327975       0.15320226 
O       9.49656681       3.32381061      -8.63851658       0.03707488      -0.16806319      -0.13214939 
O       4.31121456       9.29637585      -3.45320653      -0.31004412      -0.12179247       0.36840842 
O       4.29678919       8.46353455      -8.68478079       0.34287724       0.31079658       0.64937339 
O       9.48090989       9.39393598      -3.42887489       0.04952774      -0.12859073       0.14352956 
O       9.52492536       8.52814710      -8.71761528      -1.10101605      -1.87893019       0.80985521 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.019384701809275085 -0.0011122420193038433 0.0045025471451443115 -0.0011122420193038433 -0.015451157499501569 -0.002782826956851822 0.0045025471451443115 -0.002782826956851822 -0.014852782871165461" pbc="T T T" energy=-947.03176476 free_energy=-947.063675 config_type=crystal 
Hf       2.81607719       2.05043884      -9.41547114       0.54633803       0.46316842       0.01676453 
Hf       7.98111434       3.06237648      -4.14383378       0.69691766      -0.65055723      -0.60416499 
Hf       7.94006311       2.08982105      -9.42324535       0.41634471       0.24204709      -0.02364730 
Hf       2.88922039       8.20110997      -4.09784962       0.46776156      -0.39226016      -1.08167586 
Hf       2.78795876       7.31949953      -9.50009483       0.58486078      -0.21471693       0.20704993 
Hf       7.94338780       8.24344229      -4.25338082       0.46263348      -0.09611550       0.66507637 
Hf       8.00572666       7.20421395      -9.31065692       0.01585071       0.73928726      -1.55041426 
Hf       0.26521290       0.83876321      -3.77806932       0.23513513      -0.44751028       0.32067827 
Hf       0.21050894      -0.12424475      -8.86530359       0.11759153       0.42764184      -1.12442036 
Hf       5.38032209       0.84334149      -3.79997375      -0.69766713       0.63947741       0.81050879 
Hf       5.38108962      -0.10561268      -8.95844137       0.40318136      -0.11918299      -0.61640092 
Hf      10.35064917       6.00623779      -3.46087006       0.35845823      -0.81289711       0.72549396 
Hf       0.27690292       4.96307068      -8.99777351      -0.81076782       0.21592081      -0.01861334 
Hf       5.40938686       5.89112820      -3.73598455      -0.00113821       0.15087560       0.32662906 
Hf       5.39334788       4.99100068      -8.88223662       0.45327212       0.67671776      -0.42148638 
Hf       2.37116517       1.25619644      -1.17645194       0.86489570       0.37712828       0.09272256 
Hf       2.39257146       0.42348809      -6.28607115       0.34775926      -0.22155045       0.09309495 
Hf       7.54631447       1.24190004      -1.15272471      -0.54665018      -0.64114010       0.89562810 
Hf       7.52737660       0.44781821      -6.36886217       0.62270942      -0.59353865      -0.17557869 
Hf       2.45153088       6.37598183      -1.05533452      -0.55769866      -0.26532652      -1.37196053 
Hf       2.58380183       5.33846889      -6.50625225       0.08961371      -0.77961422      -0.69639755 
Hf       7.51585989       6.35326767      -1.07091581       0.53394962       0.64670642       0.68407743 
Hf       7.63482929       5.48676976      -6.34364554      -0.95154327       0.64187906      -0.14846782 
Hf       4.96257997       3.47176117      -1.57648328       0.57661449      -0.68844765      -0.22081797 
Hf       4.91352001       2.50850530      -6.68508823       0.98602723       0.62439650      -0.49585289 
Hf      10.14991719       3.30709400      -1.43647541       1.13552953       1.86413156      -1.11160531 
Hf      10.16880799       2.52859703      -6.81032252       0.00571982       1.03521108       0.17273232 
Hf       5.00867838       8.59007706      -1.53035746      -0.22665039      -0.34667136      -0.71340321 
Hf       4.99303662       7.76585493      -6.71301916      -0.01338670      -0.09704112      -1.04148506 
Hf      10.18751229       8.62009233      -1.49799235      -0.07473987       0.74336321      -0.61646864 
Hf      10.18383610       7.71521803      -6.82644973      -0.99993990      -0.09884519      -0.00830399 
O       1.18049815       2.27908853      -2.57168977       0.22277207      -0.13132986      -0.36158972 
O       1.35932499       1.45377914      -8.00168172       0.01646797       0.02495276       0.15601823 
O       6.52709292       2.44030136      -2.82194202       0.29907883      -0.63814346       0.50339762 
O       6.48496641       1.48207133      -7.94441394       0.69781530       0.19116297      -0.76223480 
O       1.45681298       7.46737874      -2.85263796      -1.93927870      -0.13877027       1.43154818 
O       1.38708537       6.56258725      -8.13506718      -0.25213039       0.00576677       0.96059263 
O       6.48619329       7.54466990      -2.76537831       0.44476193      -0.17444906      -0.09397297 
O       6.56808212       6.71388334      -7.89461712       0.16255097      -0.51552097      -0.75905996 
O       4.04140488       1.25126936      -5.27051820       0.10299249      -0.17052946       0.48007187 
O       3.97309659       0.58072755     -10.41799265      -0.24226031      -0.24708282       0.71808715 
O       9.15670328       1.59219062      -5.20309983      -1.33461763      -0.78078144       0.74703049 
O       9.21214184       0.55772230     -10.39797276      -0.56905433      -0.74049407       0.80423934 
O       4.02291047       6.60000833      -5.18179057      -0.50690058      -0.33310566       0.01241135 
O       3.86652240       7.49310099      -0.00439701       0.61668841      -0.21438798       1.55887847 
O       9.19073783       6.51588472      -5.14729079       0.00967740       1.42265303       0.17255503 
O       9.13385512       5.63569488     -10.32488932      -0.40472642       0.48593544      -0.33895730 
O       4.11180194       1.78514831      -2.39076049      -1.54479555      -0.72958328       0.01128566 
O       3.91558859       0.97591293      -7.72771453      -1.00985985       0.20401830      -1.25995261 
O       8.97912628       1.88734538      -2.49100296       0.43962761      -0.26889237      -0.58522529 
O       9.06908192       0.99450383      -7.78480652      -0.62411696      -0.36216052       0.30888235 
O       3.87391696       7.03610416      -2.50880092       0.50071118      -0.23266556      -0.37395338 
O       3.95073293       6.14578123      -7.85430401      -0.50961767       0.34635471       0.66527906 
O       8.95985727       7.13466138      -2.50274240       0.14823357      -0.32901287       0.44417467 
O       9.11487226       6.15469588      -7.75206895      -0.19264503      -0.19589740      -0.27174848 
O       1.36660734       2.82623903      -0.08408280      -0.57350656       0.07099030       0.09930926 
O       1.12118296       1.77473865      -5.41215681       0.52117058       0.28480413      -0.32347865 
O       6.51581467       2.84382702      -0.17659852      -0.14369268      -0.24420228       0.36465468 
O       6.51237788       2.00717261      -5.38774757      -0.25927075      -0.11886859       0.05167266 
O       1.23821582       7.93370898      -0.14263680       0.04727023      -0.13866296      -0.31675285 
O       1.47122203       7.16023015      -5.54124019       0.14943388      -1.11482358       0.68822957 
O       6.38164729       7.92660392      -0.13006014       0.84094921       0.03071859       0.93372632 
O       6.49118583       7.06403860      -5.33340264       0.12745181       0.34134755      -0.10673533 
O       3.57190101       4.68669535      -0.85960603      -1.02790270       0.49345366       1.19813674 
O       3.50811956       3.68343234      -6.01394345      -0.75911450       1.39426529      -0.20010172 
O       8.62309253       4.63967060      -0.76394035       0.23424145       0.18393784      -0.64383214 
O       8.76229526       3.93648605      -6.09062723       0.87458356      -1.94417541       0.16549137 
O       3.49716009       9.75254295      -0.88872856      -1.10209782       1.13747577       0.43691183 
O       3.50614406       8.95522273      -6.06763914      -0.08660762      -0.59059717      -0.03557600 
O       8.76315278       9.81360654      -0.79196315      -0.57675800       0.19706391       0.18837035 
O       8.63270231       8.92264099      -6.12531916       0.12689721      -0.22047821       0.04758738 
O       1.00841512      -0.04605127      -1.88291240      -0.60733844      -0.72550832      -0.08779091 
O       0.90148766      -0.88971711      -7.03171370      -0.06638333      -0.18488312      -0.20613559 
O       6.01687354       0.04815681      -1.75481639       0.98545580       0.53662710      -0.73672149 
O       5.98696819      -0.75232232      -7.05758431       0.68622847      -0.57423199       0.51420235 
O       0.86402711       5.14856510      -1.75623954      -0.25112365       0.25266466      -0.18109020 
O       0.96102322       4.19004607      -7.15786069       0.47639215       0.44330558       0.44494639 
O       6.13751681       5.17570840      -1.79323278      -0.22899026       0.05508685      -0.62946452 
O       6.09132665       4.30268853      -7.00564526      -0.18773608       0.13780605      -0.67362212 
O       1.75910884      -0.45896648      -4.49875303      -0.76101704       0.55305182       0.79244083 
O       1.62124282      -1.29058594      -9.68723709       0.97358913      -0.58036111      -0.88630676 
O       6.94098960      -0.29622111      -4.48663042       0.26749129      -0.55128029       0.22118244 
O       6.89308442      -1.28376878      -9.75152020       0.35707521      -0.42910090       0.70175936 
O       1.45473970       5.73973260      -4.85059361       0.04421924       0.83943693      -0.56338047 
O       1.79746202       3.83091689      -9.65894495       0.17474693      -0.29466588      -0.43143597 
O       6.86924160       4.66013274      -4.53888186      -0.37676192       1.20207547       0.67447990 
O       6.89858088       3.85970232      -9.63370049       0.14938584      -0.24959659      -0.31187448 
O       4.36435531       4.22932507      -3.34996541      -0.14526161       0.59313312      -0.51921540 
O       4.33088048       3.35364927      -8.62789356      -0.94223860      -0.88345251      -0.25198454 
O       9.49041306       4.22235056      -3.41585070       0.11992080      -0.16229187       0.48361425 
O       9.42043380       3.28334758      -8.73679733       1.05633899       0.57693411       0.52591122 
O       4.37895273       9.35845044      -3.54717385       0.51480243       0.04605171       0.90070556 
O       4.29996602       8.48545955      -8.70782222      -0.24498246      -0.23345768       0.15578819 
O       9.54770577       9.31987470      -3.51437842       0.14869555       0.44830294       0.23340992 
O       9.47527679       8.46581754      -8.66088020      -0.00969232      -0.04784985       0.18834688 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011720244619862076 0.002140739476205444 0.0020097580492668744 0.002140739476205444 -0.01612405314409142 -0.006825687691372909 0.0020097580492668744 -0.006825687691372909 -0.018451508545442884" pbc="T T T" energy=-946.45130344 free_energy=-946.48103052 config_type=crystal 
Hf       2.82511415       2.08035642      -9.43706244       0.46707590       1.18609378       0.51682502 
Hf       8.07702497       2.96814198      -4.21048877      -1.15504276       0.33705182       0.67669299 
Hf       8.00775630       2.10173173      -9.40067781       0.22045522       0.83595442      -0.33250134 
Hf       2.92758781       8.20519051      -4.02897733      -1.49978573      -0.80864370      -1.21155723 
Hf       2.77119994       7.33135115      -9.49564006       0.54283486      -0.10655408       0.60186564 
Hf       7.99856557       8.16118645      -4.19708309      -0.98539762       1.25463117      -0.05177729 
Hf       7.96196544       7.22384697      -9.44132998      -0.02052126       1.34358667       0.67337899 
Hf       0.27531715       0.78959873      -3.75115107       0.65715091      -0.60982583       0.03471856 
Hf       0.18197303      -0.09816075      -8.93093561       1.53003555      -0.40975512      -0.51118590 
Hf       5.35879891       0.81939392      -3.72155013       0.65743510       0.50936796      -0.08664666 
Hf       5.34264335      -0.05172475      -8.99254044       0.37140794      -0.91247121      -0.05667325 
Hf      10.35565012       5.97710732      -3.45695198       0.11408460       0.00873694       0.57000379 
Hf       0.20257501       5.00310365      -8.95017919       0.59078538       0.10539559       0.38123984 
Hf       5.40760264       5.89768154      -3.71382044      -0.34324332      -0.23537272      -0.48527277 
Hf       5.43473575       5.06834515      -8.93334455      -0.25860507      -0.58841414       0.22609828 
Hf       2.38274245       1.25969041      -1.16617145       0.06940124      -0.28031317      -0.36083009 
Hf       2.46622993       0.41719642      -6.34149628       0.08519492      -1.61473353       0.64626462 
Hf       7.53745051       1.30612943      -1.08282159      -0.09052415      -0.11457302      -0.36802743 
Hf       7.47443898       0.40385974      -6.38035832       0.70364362      -1.42740997       0.31544879 
Hf       2.39252959       6.44709933      -1.03916236       0.38988383      -0.45399146      -1.00359468 
Hf       2.56445074       5.37534671      -6.50741666      -0.58164870      -0.71540497      -0.18874947 
Hf       7.48669392       6.35375770      -1.08955288       0.27718353      -0.50811300       0.37131204 
Hf       7.62568780       5.45143150      -6.25870662      -0.52641212      -0.40114595      -0.99220292 
Hf       4.83253722       3.39093799      -1.63905185       1.75911616       1.17574270      -0.18207155 
Hf       4.98903709       2.53287118      -6.71390425       0.07492291       0.18617821      -0.06400999 
Hf      10.30042020       3.38779674      -1.47853981      -1.52177185       0.42895196      -0.55083213 
Hf      10.24386052       2.43809733      -6.72528762      -0.07776828       1.70453219      -1.33116630 
Hf       4.99310530       8.59969511      -1.50560590       0.97952469       0.40034753      -0.94587034 
Hf       4.96161928       7.68285495      -6.76823397       0.09752274       0.86752205       0.03478888 
Hf      10.14433033       8.65726685      -1.47103504       0.40211392       0.28114133      -1.13262533 
Hf      10.12789174       7.71025657      -6.86921064      -0.36230700       0.90540656      -0.17228552 
O       1.15306091       2.27969861      -2.60611352       0.36869990      -0.45670713      -0.16463071 
O       1.39522835       1.38539684      -8.08484751      -0.44406931       0.48589845       0.96842437 
O       6.46965381       2.47017170      -2.88974377      -0.20197828      -0.38240484       0.71676437 
O       6.47711966       1.43375804      -8.00716502       0.85816261       0.70071892      -0.19391144 
O       1.26473954       7.50708182      -2.68321007       0.43474570      -0.37995456      -0.27369587 
O       1.28901117       6.66647350      -8.06951424       0.10828530      -0.65960959       0.04613330 
O       6.42659674       7.52139582      -2.80990268       1.10134026       0.27974577       0.26010385 
O       6.47993917       6.65044584      -8.02042316       0.38951930       0.06640077      -0.10039865 
O       4.03838515       1.20556557      -5.18359782       0.36323527       0.63612666      -1.34165735 
O       3.91472828       0.59735946     -10.41992129       0.07397928      -0.39943991      -0.09641118 
O       9.18105834       1.43939693      -5.17195835      -0.63021175      -0.40365288       0.31627732 
O       9.21076710       0.51895927     -10.38652303      -0.28285103       0.37684679      -0.07758676 
O       3.87520744       6.57310320      -5.10138097       0.67035174       0.06161917      -0.74552616 
O       4.02366699       7.46277142      -0.00784037      -0.44692467       0.46422967       1.51119443 
O       9.11847936       6.59975694      -5.12626568       0.77892634       0.30889514       0.61370220 
O       9.06311560       5.69104706     -10.25606922       0.85755858      -0.30529559      -1.02585310 
O       4.02665243       1.70833339      -2.40225495      -1.14839034       0.02462170       0.21230522 
O       3.87568830       0.96500771      -7.82899687      -0.18312334       0.71831283       0.36554857 
O       8.90108155       1.93688108      -2.54071504       1.04354248      -0.48378771       0.33162195 
O       9.12178399       0.96271738      -7.77348111      -0.95286400       0.09150461       0.19749212 
O       3.93384943       7.01181200      -2.45912927      -1.15874425       0.32598100      -0.25027633 
O       3.85389570       6.13242376      -7.87313807       0.24032022       0.47803167       0.15632566 
O       8.95225479       7.14159496      -2.44354336       0.07634368      -0.79464075       0.03590110 
O       9.04016781       6.14717462      -7.73242162       0.12570501       0.22719235      -0.26657547 
O       1.38510654       2.88553677      -0.12276213      -0.76733692      -0.33065437       0.08364618 
O       1.23499171       1.74360341      -5.46761996      -0.13697691       0.27000524       0.64114418 
O       6.47342310       2.89483031      -0.15242996      -0.09013201      -0.37906826       0.15726166 
O       6.57982024       2.07520879      -5.45578485      -0.20277596      -1.01545739       0.10108064 
O       1.23951107       8.06833994      -0.17454902       0.44571865      -1.11127186       1.07678888 
O       1.30712800       7.07300596      -5.46876127       0.82850495      -0.12636793       0.74895101 
O       6.54284035       8.02471192      -0.18305523      -0.50712071      -0.36171743       0.39849334 
O       6.47433152       6.96468524      -5.35405960      -0.40565041       0.93786228      -0.42940697 
O       3.54633528       4.76536881      -0.77652330       0.22270745      -0.47561140       0.47534380 
O       3.70568105       3.86233375      -6.10614961      -0.91615000       0.27512129       0.89873326 
O       8.64067520       4.66831968      -0.70245606       0.66262917       0.19301532      -0.77263606 
O       8.88598123       3.83526405      -6.05438677      -0.50792209      -0.28675734       0.63271106 
O       3.51894189       9.83084925      -0.91000968      -0.20644048      -0.29119533       1.22901084 
O       3.52756874       8.89904420      -5.93769713       0.36897475      -0.10460943      -0.29322188 
O       8.70286610       9.83318507      -0.81919705      -0.67127632       0.69210600       0.58522010 
O       8.52860350       8.90970319      -6.13994858       1.13396768      -0.55069698      -0.08878851 
O       1.04482677      -0.13168781      -1.88098523      -0.57833981       0.85860944      -0.13330314 
O       1.05932902      -0.98831881      -7.09748138      -1.18394707      -0.00944010      -0.03162490 
O       6.17471199       0.09296828      -1.84898847      -0.49571448      -0.81743597       0.18272550 
O       6.01998626      -0.82026036      -7.15211383       0.21807341      -0.46760241       1.15699320 
O       1.02028852       5.08781330      -1.79337286      -1.05469007       0.43325417      -0.63509174 
O       1.02983679       4.13359569      -7.12707455       0.43235808       0.92171381       0.24032649 
O       6.12524494       5.18488490      -1.93515617       0.13942288      -0.65559498       1.11757899 
O       6.11573418       4.34039003      -7.04124319       0.31931170      -0.28273932      -0.33168481 
O       1.76106533      -0.45036885      -4.42431491      -0.35508381       0.12896297       0.01067452 
O       1.76953052      -1.26983897      -9.75144124      -0.82923544       0.55948543      -0.21795767 
O       6.87817528      -0.41912594      -4.46759422      -0.10574230       0.61473684      -0.59818061 
O       6.79189209      -1.28081170      -9.67042324       0.88750595      -0.53462759      -0.75714201 
O       1.48203459       5.71478808      -4.78355389      -0.68992848       0.13557899      -0.00375568 
O       1.82500565       3.88225885      -9.66755322      -0.91693032       0.72504773      -0.19445321 
O       6.89627798       4.67950292      -4.47536445       0.31500692      -0.11956703       0.13409815 
O       6.86380082       3.85461504      -9.65158131       0.23233115      -0.29657646      -0.45059503 
O       4.13072069       4.35729942      -3.24549099      -0.04448886       0.01549062      -0.66701348 
O       4.29437064       3.38356168      -8.50176746      -0.40896318      -0.30210342      -1.34777758 
O       9.44556408       4.23073122      -3.38417663       0.93415475       0.51784002       0.61606562 
O       9.53026763       3.35968193      -8.64626622      -0.78901557      -1.17262813      -0.20449448 
O       4.36113566       9.32908918      -3.40134309       0.53043954       0.48224130       0.47889061 
O       4.19394345       8.51397392      -8.53980814      -0.17243117      -0.12162738      -1.10684008 
O       9.51409794       9.35281452      -3.48290491      -0.00965951       0.03235044       0.15779881 
O       9.46146019       8.54663791      -8.75951650      -0.17523641      -1.24481097       0.91537277 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014866212164615802 0.0001004686736220287 0.003987181916816546 0.0001004686736220287 -0.01622752039473525 -0.004226029254264849 0.003987181916816546 -0.004226029254264849 -0.015462042067266197" pbc="T T T" energy=-946.66446304 free_energy=-946.70083878 config_type=crystal 
Hf       2.87574449       2.13003010      -9.40333782      -0.99597018       0.10000987       0.30727265 
Hf       7.97247803       3.01989060      -4.10803897      -0.01206640      -1.51751051      -0.95375562 
Hf       8.07561999       2.22748080      -9.44458086      -0.56554920      -1.86933363       0.58076042 
Hf       2.77736108       8.07169520      -4.11170346       1.51968215       0.84432767      -0.67590786 
Hf       2.82086057       7.20009031      -9.43597920       0.20809259       1.14712462      -0.69632535 
Hf       7.91628160       8.17553493      -4.20192827       0.20813200       0.83570692       0.46370381 
Hf       8.01507024       7.21298283      -9.46040157      -0.73972294       1.79899028       1.00479135 
Hf       0.34242059       0.76177753      -3.71355289      -1.00085430       1.01628403       0.16876173 
Hf       0.26426645      -0.10552227      -8.95425090      -0.65498905       0.49352061       0.65420084 
Hf       5.29443217       0.83736764      -3.69299169      -0.08450950      -0.15713836      -0.24686816 
Hf       5.45723552       0.00609266      -8.93420791      -0.17485865      -0.62846660      -0.91711253 
Hf      10.33994883       5.93863886      -3.49183429      -0.71294880       0.53196464       0.67109297 
Hf       0.20921524       5.05010798      -8.93226729       1.03030669      -0.95271267      -0.53246169 
Hf       5.38675223       6.01008248      -3.76956920      -0.11919274      -1.15686324       0.15518508 
Hf       5.45319713       5.02352847      -8.96691303      -0.85736960      -0.27283990       0.45929998 
Hf       2.33514919       1.39912247      -0.99684080       1.36855798      -1.77792927      -1.23739630 
Hf       2.37954079       0.40850267      -6.28642817       0.69031314      -0.24871038       0.06437627 
Hf       7.59323652       1.27588943      -1.09321674      -0.25579123      -0.24818631       0.47648905 
Hf       7.53409101       0.33372645      -6.30824261       0.78767092       0.82156615      -0.36984601 
Hf       2.37796915       6.35871175      -1.11308459      -0.55612702      -0.55727466       0.37084909 
Hf       2.53198501       5.32326953      -6.52241800      -0.08173462       0.44813472      -0.33146167 
Hf       7.55934774       6.38382119      -0.98701246      -0.65381811      -0.01534552      -1.11089927 
Hf       7.66927135       5.46880444      -6.35331574      -1.48608443      -0.50991622       0.38347865 
Hf       4.95574638       3.48544852      -1.64978828      -0.07917671       0.72513617       0.39896100 
Hf       4.95593714       2.56133512      -6.76576874       0.81549473      -0.88530924       0.34014844 
Hf      10.20292982       3.37522266      -1.51030355       0.04203247      -0.13549902       0.16897061 
Hf      10.12734032       2.45704271      -6.78575818       0.58423529       0.05383471       0.31587473 
Hf       4.93612919       8.56529942      -1.49205206       1.11675022       0.56046154      -1.01480035 
Hf       4.98244486       7.71998867      -6.86038658       0.15782161      -0.02998349       0.02184948 
Hf      10.18287593       8.64331899      -1.52750088      -0.10736491       0.29979309      -0.02217391 
Hf      10.17971541       7.71994024      -6.90680609      -0.50610447       0.83224076       0.89131454 
O       1.24368527       2.32029059      -2.51468692       0.24129798      -0.53120450      -0.35664305 
O       1.28416783       1.47093779      -7.95550487       0.84307392      -0.38781398      -0.06029573 
O       6.59317395       2.24157246      -2.67534220      -0.44372289       1.54620095      -0.57955106 
O       6.64968791       1.47760064      -8.00931144      -0.85084748       0.03175192       0.58926394 
O       1.20813768       7.46261719      -2.69948882       0.84239866       0.42783968       0.18211365 
O       1.32680857       6.64845070      -8.07520692      -0.12106010      -0.23820519       0.99305527 
O       6.44629757       7.54861296      -2.75656044       0.44183832       0.50502723      -0.26777414 
O       6.59591335       6.58564946      -8.01415116      -0.14746707      -0.15731542       0.40011994 
O       4.07854063       1.19692688      -5.29586126      -0.65631379       0.08555619       0.08143940 
O       3.91078973       0.60305116     -10.38567689       0.58975336      -0.40974943       0.05657967 
O       9.07106366       1.32218953      -5.09471762      -0.00022567       0.70771796      -0.33210750 
O       9.19725722       0.54199636     -10.37143768      -0.24877095       0.06929088      -0.61249427 
O       3.91593449       6.51310546      -5.23505174       0.07321825       0.03026783       0.19801439 
O       3.95254531       5.57402641     -10.43946225      -0.22953467       0.26470928       0.13896066 
O       9.08739211       6.50537749      -5.04997536      -0.55224538       0.38275762      -0.67521471 
O       9.14723855       5.75617781     -10.29456163       0.18224190      -0.63985576      -1.01565712 
O       3.97970253       1.77814350      -2.37423666      -0.37955730      -0.00011765       0.38549267 
O       3.86175627       0.98155400      -7.76905417      -0.30625091      -0.30215316      -0.19347520 
O       9.08202906       1.78387684      -2.57633502      -0.32815236       0.61443414       0.88374462 
O       9.04390998       0.92361998      -7.81297455       0.46703050       0.50600297       0.65854083 
O       3.84873764       7.02813071      -2.62560870      -0.92444049      -0.33263394       1.18413244 
O       3.84433101       6.19492326      -7.86850983       0.46037967      -0.84159232      -0.11658359 
O       8.87001426       7.04283440      -2.42671796       1.44343437       0.46418735      -0.72286894 
O       9.09458687       6.20513065      -7.74791209      -0.39964901      -1.25815918      -0.10181835 
O       1.27661804       2.86719104      -0.00363446      -0.19326422      -0.32458037      -0.15247779 
O       1.13355729       1.79731522      -5.40376296       0.17377470      -0.30533469       0.23921886 
O       6.54479560       2.93755717      -0.11527175      -0.66571461      -0.78848458      -0.22713432 
O       6.45131276       1.99394855      -5.33695698       0.26708863       0.22721265      -0.09214134 
O       1.28709468       7.84031302      -0.07419062      -0.23896332       0.62561730      -0.45935177 
O       1.22652622       7.00145723      -5.21331921       0.11420944       0.46367317      -1.01024051 
O       6.45370232       7.91271519      -0.02401452      -0.17868343       0.86545470      -0.87334899 
O       6.39974666       7.18428553      -5.41402298       1.00200685      -0.88789848       0.42254162 
O       3.44451153       4.69829834      -0.83241109       0.65162032      -0.75639070      -0.22204229 
O       3.51899425       3.77085182      -6.25447636      -0.16220809      -0.60745720       0.25548266 
O       8.71202058       4.70644492      -0.78052560      -0.00709107       0.09608764      -0.02176699 
O       8.73447972       3.72142300      -5.99418849      -0.55691624       0.83196556      -0.14907546 
O       3.54953694       9.78814215      -0.78529580      -0.88286852       0.45661785       0.43374921 
O       3.56905490       8.80693084      -6.05802606      -1.60338660       1.20778919       0.71716359 
O       8.70240010       9.86563647      -0.76483048       0.45917346      -0.64845738      -0.36662000 
O       8.64704154       8.83604904      -6.09879994      -0.26482545       0.16671867       0.32211100 
O       0.96413740      -0.04564819      -1.73998180       0.08185740       0.07242726      -0.24399145 
O       0.92822095      -0.93735513      -7.01692153       0.20281600       0.30037380      -0.28006282 
O       6.19816216      -0.04870324      -1.82806585      -0.64903075      -0.46083602       0.15651170 
O       6.07308150      -0.83487015      -7.09851296      -0.10004626      -0.14150978      -0.28144291 
O       0.85586242       5.15144419      -1.80916616       0.07516492      -0.24817211      -0.05410362 
O       0.91395477       4.26358826      -7.13717790      -0.10439318      -0.10918380       0.79553516 
O       6.08539359       5.32894343      -1.75924407      -0.62639466      -1.19531479      -0.47885642 
O       6.04224269       4.27532450      -7.10729796       1.11583449       0.85997177       0.53451554 
O       1.73355692      -0.51399710      -4.44683982       0.19584815       0.02033588      -0.03350915 
O       1.70932759      -1.33819151      -9.59454234       0.26990870       0.14106806      -1.00832626 
O       6.83278496      -0.32469361      -4.47915621       0.61448450      -1.49409693       0.28938874 
O       6.82441236      -1.34411242      -9.73518350       0.08004688       0.44448525      -0.00161091 
O       1.56652379       5.63647763      -4.72508432      -0.24749811      -0.57716777       0.56061264 
O       1.62313074       3.69199206      -9.68769744       0.27333701       1.37843569      -0.36687467 
O       6.87525186       4.76220559      -4.48339131       0.56736712       0.03807508       0.03749323 
O       6.90748245       3.90020772      -9.64708286       1.21979313      -1.07552819       0.08813876 
O       4.42972585       4.22694747      -3.45153420       0.43077812       0.37413714       0.37565809 
O       4.46274163       3.13989612      -8.78238856       0.30928642       1.50278234       0.07058239 
O       9.46983175       4.16892914      -3.34408823       0.00383556       0.03557579      -0.20819996 
O       9.50995263       3.35901651      -8.64640073      -0.41387802      -0.03129044       0.18229499 
O       4.27088078       9.34460742      -3.38172737      -0.26647537      -0.17218001      -0.02254742 
O       4.27419996       8.48418264      -8.72240239       0.47141268       0.42453607       0.06215666 
O       9.58202876       9.30868138      -3.50069784      -0.53595110      -0.53167845       0.65309098 
O       9.45935751       8.49756201      -8.67007546       0.16917938      -0.15545239      -0.08632742 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.020190313982891443 0.003440984232591793 0.001170751611057337 0.003440984232591793 -0.023527207675255075 0.0008925915354362909 0.001170751611057337 0.0008925915354362909 -0.01423337890713528" pbc="T T T" energy=-946.84442491 free_energy=-946.88253878 config_type=crystal 
Hf       2.79778434       2.09849585      -9.41266171       0.04142756      -0.54528563       0.41250855 
Hf       7.96839475       2.99201747      -4.25138277       0.58591975       0.56509713       1.29586817 
Hf       8.04954378       2.12236301      -9.33732935       0.38241279       0.33519838      -1.94331604 
Hf       2.83902218       8.19219229      -4.14419490      -0.18154502      -1.25290617       0.63487962 
Hf       2.90536951       7.19440438      -9.40695768      -1.38680775       0.69028051      -0.38399539 
Hf       7.98025953       8.32133154      -4.15306695      -0.05870769      -0.83942980       0.75241116 
Hf       8.02075279       7.26592613      -9.41907410      -0.40977931      -0.22548933       0.33182319 
Hf       0.23046183       0.84226307      -3.75499040       0.55138193      -0.08521531       0.19054480 
Hf       0.29381271      -0.16279450      -8.98703708      -0.05945390       0.84630094       0.48713233 
Hf       5.28599130       0.82876567      -3.71817188       0.66203610       0.65840031      -0.40434864 
Hf       5.41057905      -0.10703607      -8.92139929      -0.21243593      -0.68843575      -0.87665930 
Hf      10.21089004       5.99881588      -3.50149809       1.44026367      -0.49364593       1.00657005 
Hf       0.25144691       5.09409930      -9.05135737       0.19645065      -0.87323118       0.91097021 
Hf       5.37315642       5.94442781      -3.74946940       0.74616019      -0.20174204       1.27752947 
Hf       5.42016056       5.01676328      -8.94228160       0.17330788       0.81950390      -0.15551340 
Hf       2.46510019       1.22152165      -1.10427439      -0.20887272       0.32661619       0.38468094 
Hf       2.40915562       0.36056745      -6.19320807      -0.17087506       0.56350018      -1.24914414 
Hf       7.55752674       1.22218131      -1.12454797      -0.33239548       0.46569204       0.39363786 
Hf       7.60038723       0.36810827      -6.34454586      -0.02330447       0.37425506      -0.27979441 
Hf       2.41107658       6.29392975      -1.16629294      -1.44964750       0.93749097       0.11418749 
Hf       2.52457497       5.26151171      -6.49262879      -0.13972447       1.85902672       0.26098265 
Hf       7.56018634       6.41258679      -1.03838395      -0.56118494      -0.59753529      -0.40028818 
Hf       7.52832430       5.52651370      -6.31436130       0.62903237      -0.44138060      -0.49360790 
Hf       4.96846607       3.41039097      -1.57357735       0.08018564       0.22864336      -0.35136235 
Hf       5.02636495       2.53316768      -6.76636644      -2.17101533       0.11794980       0.43363981 
Hf      10.14360165       3.35043977      -1.53463425       0.70441123       0.15119137      -0.11562220 
Hf      10.18044013       2.54812083      -6.80115939       0.60283658       0.45013804       0.19800572 
Hf       5.03840647       8.61846296      -1.50188523      -0.78028772      -0.32182057      -1.10549759 
Hf       4.92500149       7.72666334      -6.73007190       1.11617849      -0.34212834      -0.46349985 
Hf      10.17348508       8.70940690      -1.48330886       2.13527278      -1.37874047      -0.83740049 
Hf      10.08057745       7.76948843      -6.81593067       0.82926029      -0.45941644      -0.45909705 
O       1.21506427       2.17532790      -2.56582908       0.13847361       0.82466139      -0.02369573 
O       1.35666144       1.45794342      -7.96266795       0.44098855       0.00705627      -0.41919542 
O       6.65886077       2.43896421      -2.72468634      -1.35591799      -0.43049840       0.33772380 
O       6.55952644       1.44137853      -8.05993739       0.00272463       0.48147940       1.41008574 
O       1.19932869       7.45754970      -2.75393908       0.71798851       0.16022580       0.02677066 
O       1.38342082       6.47571645      -8.01383384      -0.04458695       0.86171283      -0.91192919 
O       6.53322600       7.51712106      -2.71542881      -0.16054334       0.24402659      -0.57048026 
O       6.58216949       6.57392332      -8.03102287      -0.37251355       0.29650673       0.56145036 
O       4.01967109       1.24814975      -5.23947753       0.36014310      -0.06774441      -0.22658399 
O       3.95718126       0.44563740     -10.40018345      -0.18854526       1.08335188       0.89244830 
O       9.08906038       1.46392434      -5.15928929      -0.41463541      -0.29905020      -0.41418486 
O       9.10979349       0.54468899     -10.44468734       0.06872307       0.06296498       0.36343576 
O       3.98800521       6.50503709      -5.14821085      -0.39772895       0.22091446      -0.08642773 
O       3.93559656       5.63548374     -10.36031756       0.32353010      -0.03694488      -0.24880084 
O       9.15912598       6.68653180      -5.10192543      -0.38040486       0.31977365      -0.61959311 
O       9.16407540       5.76260160     -10.39738347      -0.01678527      -0.32707715       0.17447978 
O       4.03972623       1.66796622      -2.34180623       0.03815165       0.85507125      -0.59671555 
O       3.88374192       0.95418651      -7.75788040       0.31869710       0.31735994      -0.54621178 
O       9.03090974       1.80732688      -2.56871285       0.06742125       0.20971878       0.20182408 
O       9.16034134       1.02016227      -7.85384703      -1.43027340      -0.70877792       0.98989528 
O       3.80846424       7.13696207      -2.48749167       0.21349908      -0.61812370      -0.19599739 
O       3.88608296       6.18804067      -7.75834358       0.47552910      -0.58859414      -0.22044997 
O       8.95917961       7.12666031      -2.41927609      -0.08200342       0.35457366      -0.30210058 
O       9.05807174       6.13526517      -7.77963719       0.10794976       0.22461036       0.32968593 
O       1.32620343       2.71844005      -0.03863890      -0.67864641       1.00116274      -0.41240835 
O       1.10296680       1.72428129      -5.42249537       0.28996808       0.28975406       0.19972864 
O       6.38652158       2.75578779      -0.07128354       0.77711954       0.29175905      -0.37738734 
O       6.48317377       2.07105938      -5.36494597      -0.25776319      -0.88581506      -0.56308279 
O       1.30842543       8.00167339      -0.12956514      -0.12206769      -0.70583529      -0.07421148 
O       1.46083329       7.13304123      -5.56973626      -0.25773954       1.10312437       0.10779967 
O       6.45193462       7.99617451      -0.18814644       0.50070911       0.13410727       1.15180363 
O       6.45033441       7.04786638      -5.31906020       0.21947926       0.77447973      -0.63912367 
O       3.40447180       4.60366281      -0.86515464       0.87092335      -0.71644335       0.31027369 
O       3.40129746       3.64672670      -6.14825811       1.74571209      -1.43503721       0.14712226 
O       8.75684483       4.76456839      -0.77312174      -0.33721887      -0.65751398       0.12642753 
O       8.69558978       3.83046810      -6.05808749      -0.06377740       0.00807867      -0.28897547 
O       3.53533611       9.78615643      -0.84595705      -0.00935167      -0.63018433       0.74435665 
O       3.38221672       8.75368962      -6.09651186      -0.14364878       1.24416132       0.20627016 
O       8.78975141       9.86239952      -0.81660708      -1.75301482       1.15862904       0.64082801 
O       8.65339396       8.95560105      -6.03142388       0.31617166      -0.10177697      -0.29466463 
O       1.07420636      -0.04159585      -1.81806100      -0.80872261      -0.57335876      -0.30786098 
O       0.82655171      -0.86596124      -7.03118941       0.26753424      -0.26806595      -0.29336445 
O       6.06923366       0.02013537      -1.85408619       1.05849257       0.36121200       0.29499142 
O       6.16973327      -0.90489330      -6.96836136      -0.93702866       0.28455453      -0.84030981 
O       0.84158252       5.06500341      -1.87980150       0.86284875       0.53284884       0.36787137 
O       0.94697564       4.27122163      -7.08010596      -1.33724985      -1.28116541      -0.44076714 
O       6.09702511       5.19090105      -1.78139337      -0.11111044      -0.11198662       0.55122533 
O       6.05356094       4.30863186      -7.04299290       0.07261679      -0.11537773       0.35356643 
O       1.68366242      -0.51742433      -4.40571459       0.23970536       0.67964601      -0.24576830 
O       1.70938525      -1.35809080      -9.69564271       0.78409036      -0.90731448       0.09209544 
O       6.95255680      -0.31904775      -4.48853733      -0.34661271       0.56899117       0.54234816 
O       6.92400354      -1.34141436      -9.65198316      -0.07363414       0.37685283      -0.56252431 
O       1.41857981       5.89450850      -4.82124647      -0.03955917      -1.33670127       0.25642194 
O       1.77402297       3.82802278      -9.73015025      -0.88912929       0.45556070      -0.00273812 
O       6.96588121       4.81833235      -4.36889881       0.12896617      -0.36145953      -0.61496700 
O       7.02408151       4.01220511      -9.59236410       0.07044155      -1.42159806      -0.08359192 
O       4.35824353       4.25393906      -3.35906983       0.14536096      -0.02986032      -0.05954726 
O       4.22320232       3.43469659      -8.65689166       0.30548445      -1.28205347       0.04413176 
O       9.55634478       4.15269212      -3.47868389      -0.52832579      -0.87104421       0.23583001 
O       9.52134476       3.28160528      -8.66146246       0.52219380       1.23092172      -0.38238855 
O       4.41463083       9.33281051      -3.56715552      -0.37385726      -0.59603749       0.37443508 
O       4.36369220       8.41146056      -8.68600841       0.21271764       0.49481678       0.24127056 
O       9.62597960       9.37812200      -3.40012397      -1.48731653      -0.60720069      -0.52590120 
O       9.48506102       8.47914497      -8.70765642       0.06637568      -0.24236513       0.48264453 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016258557434818365 0.0009064822137242361 0.0029428393466668667 0.0009064822137242361 -0.02583276863029857 5.387759306892016e-05 0.0029428393466668667 5.387759306892016e-05 -0.014394108789631892" pbc="T T T" energy=-946.43149483 free_energy=-946.4644897 config_type=crystal 
Hf       2.84689667       2.12512126      -9.47175028       0.23801857      -0.01164551       1.17298240 
Hf       8.00096115       2.97961878      -4.07096707      -0.60567807      -0.41482170      -0.46834598 
Hf       7.97635319       2.08467596      -9.35452627      -0.24319579      -0.17074658      -1.38621693 
Hf       2.88951745       8.14605250      -4.16045852       0.16461232       0.04822430       0.69642282 
Hf       2.77398537       7.32613445      -9.50888665       0.42132994      -0.33236345       1.15830237 
Hf       8.00515914       8.20312402      -4.20884962      -1.05272045       0.12470995       1.36730804 
Hf       8.03750081       7.19859033      -9.50843303      -0.39569754       0.61959051       1.74543245 
Hf       0.24659381       0.72034680      -3.76521387       0.87613980       1.32125493       0.17406470 
Hf       0.17968893      -0.08185214      -8.91478581       0.39142291      -0.55458115      -0.07157854 
Hf       5.31506834       0.84543829      -3.70998951       0.37850523       0.48734279      -0.75869035 
Hf       5.39185750      -0.09702069      -9.00689894      -0.07534246       0.25957852      -0.16997435 
Hf      10.35697966       5.91194501      -3.39538905       0.93157245       2.39787668       1.06892577 
Hf       0.18297652       4.97278221      -8.93559199       0.45872189       0.52581275       0.20069178 
Hf       5.40707440       5.88379911      -3.80337006       0.40562376       0.55219016       0.74343746 
Hf       5.44905472       5.06126497      -8.95629809      -0.39296064      -0.05844224       0.24396707 
Hf       2.28660531       1.32346738      -1.17531263       1.58139528      -0.91605922       0.24156319 
Hf       2.34172188       0.36923957      -6.26381232       0.48534571       0.86304600      -0.52168830 
Hf       7.59562774       1.13831251      -1.12449211      -1.20641325       1.79357003       0.80436359 
Hf       7.63232273       0.39535376      -6.32710870      -1.78839596       0.55477000       0.23529027 
Hf       2.37165455       6.49119715      -1.03286726       0.12482410      -0.65298281      -1.19416263 
Hf       2.53726235       5.42989110      -6.51993724      -0.16916517       0.68679605      -0.58262833 
Hf       7.57133253       6.34249713      -1.06937958      -0.62125276      -0.58856313      -0.58814098 
Hf       7.63996926       5.41829655      -6.30254657      -1.21176681       0.08544349      -0.79468214 
Hf       4.90108896       3.48035503      -1.65041044       0.59348013      -0.17837521       1.03056121 
Hf       4.97074019       2.57554892      -6.66215643      -0.02074762      -0.36157188      -1.41688015 
Hf      10.23953930       3.35103564      -1.54519374      -0.59550253       0.57431720       0.79288119 
Hf      10.16577558       2.59461678      -6.68248587       1.28154406      -1.04315399      -1.03601781 
Hf       4.95492201       8.61637094      -1.54109683       1.02719011      -0.51781610      -1.21726744 
Hf       5.06054351       7.81208624      -6.79997986      -1.17589098      -1.35963203      -0.35135470 
Hf      10.20966762       8.67753537      -1.50988416       0.74383529      -1.23373826      -0.85258822 
Hf      10.11440939       7.67621418      -6.73764576       0.13500177       0.51512709      -1.21036113 
O       1.20890199       2.19166185      -2.65944053      -0.34019613       1.30739650       0.53460345 
O       1.28657017       1.47500589      -7.94536288      -0.01372330      -0.26591062      -0.37894479 
O       6.51513349       2.28004666      -2.75097382       0.23839737       0.91563910       0.32890283 
O       6.48562713       1.45952723      -7.94332419       0.29676080       0.19712981      -0.05872314 
O       1.28832291       7.60582463      -2.65911281       0.35737655      -0.78806638      -0.55581587 
O       1.37274229       6.64680651      -7.99690511      -0.70145938      -0.69589512      -0.50126607 
O       6.57746871       7.37406091      -2.76742109      -0.20487633       0.73646517      -0.36308670 
O       6.60770707       6.64271271      -7.99632232      -0.16927775      -0.34730658      -0.44641562 
O       4.09589076       1.19001678      -5.38977587       0.04909472       0.22201306       0.70268465 
O       3.88929200       0.60772918     -10.44195813       0.32053539      -0.44965982       0.03283137 
O       9.08253091       1.37793519      -5.09259681      -0.28216736       0.50634962      -0.18834033 
O       9.11220019       0.55499262     -10.39471642       1.01329176      -0.47281740       0.47826198 
O       4.02919151       6.58116547      -5.24304909      -0.04258808       0.11685968       0.22596882 
O       3.93555770       5.73663219     -10.41733237      -0.43382829      -0.40902176      -0.05656875 
O       9.25097453       6.67957480      -4.94102213      -0.24373872       0.04959273      -2.26796459 
O       9.14421466       5.59891289     -10.42203128      -0.38554082       0.74699187       0.97739296 
O       3.94952631       1.80779740      -2.37557780      -0.39249919      -0.80522096      -0.68919569 
O       3.80914522       0.92514579      -7.91600104      -0.12063874       0.52156800       0.74233584 
O       8.95635138       1.92514842      -2.45978262       1.00552462      -0.20294633      -0.68939263 
O       9.00789191       0.92645321      -7.82941773       0.36301650       0.50525638       0.86276736 
O       3.82339644       7.05918188      -2.59518903       0.31767060      -0.17923213       0.67015432 
O       3.85344434       6.22152184      -7.87743890       0.92460184      -0.49791222       0.08909522 
O       9.03402683       7.11282449      -2.39217145       0.07184091      -0.08681053      -0.57410642 
O       9.09258113       6.04334525      -7.71221430       0.12160946       0.49864564       0.10679667 
O       1.28360665       2.87647450      -0.06780690      -0.24665414      -0.49428875      -0.14698021 
O       1.13724667       1.85674507      -5.34797871       0.12588766      -0.83822342      -0.37415129 
O       6.55059307       2.73810656      -0.08549881      -0.81483323       0.00260265      -0.13083006 
O       6.55446086       2.08814937      -5.31592861      -0.65266599      -0.88769097      -0.36014505 
O       1.19335811       8.01149253      -0.10581187       0.66571370      -0.52233133       0.59629864 
O       1.49185913       7.12600508      -5.52509827      -0.28449173      -0.52617204       1.09105955 
O       6.38312396       7.87387505      -0.16834401       1.04574635       0.50094255       0.58429398 
O       6.54985951       6.97697680      -5.42577114      -0.04097438       0.84218637       0.18599530 
O       3.54555756       4.79994945      -0.74957197       0.19831866      -0.38335648      -0.42714031 
O       3.52411012       3.85037745      -6.16914766       0.69084176      -1.19718152       0.09667343 
O       8.73196682       4.68528541      -0.81032636       0.20368323      -0.39877732      -0.01548925 
O       8.72801020       3.74316088      -6.04159474      -0.64510716       0.39046110       1.22044595 
O       3.54192844       9.79615293      -0.91952636      -1.44685247       1.05355710       0.90850992 
O       3.40551145       8.90959316      -6.03303635       1.04315843      -0.52173548      -0.45629646 
O       8.83027117       9.84379072      -0.75303580      -1.09014882       0.48998575       0.65461515 
O       8.62661692       9.00138312      -6.05897374       1.28112013      -1.85294076      -0.08771108 
O       0.97385856      -0.04443983      -1.90647907      -0.17241920      -0.05289258       0.55020368 
O       0.88109421      -0.94954848      -7.02215743       0.05017579       0.40849670       0.13940959 
O       6.15177718       0.00794791      -1.85979127      -0.49499711      -1.13560516      -0.21270280 
O       6.12074085      -0.86589399      -7.13573376       0.47235845       0.64118897       0.08753069 
O       0.99877064       5.09233572      -1.85118709       0.28192450       0.06685949       0.49228874 
O       0.86700778       4.29588725      -6.98579307       0.10089416      -0.04352879      -0.62006905 
O       6.11204532       5.10916530      -1.84891865       0.46234175       0.24046752       0.27632407 
O       6.11525675       4.30339602      -7.03766060       0.30819163       0.36050024      -0.17401535 
O       1.79445704      -0.45087707      -4.30484440      -0.30158415       0.36801269      -1.21571278 
O       1.54940245      -1.40696966      -9.77810527      -0.00001637       1.35656049      -0.37997859 
O       6.86774986      -0.44510637      -4.47992485      -0.43357879       0.89495451      -0.22115741 
O       6.76897234      -1.47658941      -9.81210700       0.73836364      -0.09399707       0.29176819 
O       1.51682233       5.78910110      -4.71499693       0.38486598       0.71233133      -0.53568082 
O       1.72722383       3.84613841      -9.73059086      -0.75957166       0.53518491       0.65799499 
O       6.94654830       4.70799869      -4.41943203       0.62331977      -0.04628893      -0.03074862 
O       6.88714917       3.79956331      -9.72191664      -0.13522666       0.19690536       0.33654048 
O       4.41660976       4.22190046      -3.41039239      -0.63355995       0.00584184      -0.57467005 
O       4.41137523       3.31944406      -8.72006160      -0.66469136      -0.11630476       0.47354956 
O       9.56508842       4.21343432      -3.39646683      -1.05444879      -2.10739630      -0.34913425 
O       9.36514569       3.37280264      -8.63725315       0.90383539      -0.18309321       0.36280003 
O       4.42363796       9.37047529      -3.51207470      -0.87501883      -1.30219684       0.45417534 
O       4.26284067       8.48865919      -8.65752778       0.03785173       0.44139355      -0.45585903 
O       9.46224507       9.41507258      -3.46036835      -0.35449616      -0.86222756       0.50886840 
O       9.48197707       8.42181805      -8.53882938      -0.88682614      -0.09368978      -1.14462148 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014411779968721911 7.10213147057301e-05 0.0026849110042886978 7.10213147057301e-05 -0.015833147307650442 -0.0011975930275664151 0.0026849110042886978 -0.0011975930275664151 -0.019650804531325238" pbc="T T T" energy=-946.84204862 free_energy=-946.87422012 config_type=crystal 
Hf       2.91700062       2.07709736      -9.46621322      -1.46902204       0.82026205       0.55871206 
Hf       7.98002003       2.95306648      -4.04025318       0.09127508       0.65585269      -0.90865657 
Hf       8.01828032       2.09163936      -9.44357753      -0.08381733       0.57898971       0.45909365 
Hf       2.81508325       8.15773928      -4.08794820       0.77641558      -0.13292327      -0.31162134 
Hf       2.80236917       7.32159793      -9.46529389       0.32603086      -0.65903841      -0.29438760 
Hf       7.95288598       8.22023618      -4.18404073       0.40748765      -0.20000020       0.24397561 
Hf       8.05782028       7.23299601      -9.33712701      -0.32157899      -0.06852818      -1.76361306 
Hf       0.33943639       0.93190952      -3.69532681      -1.21695453      -1.83154370      -0.37960117 
Hf       0.20648135      -0.09269508      -8.90836828       0.44653161      -0.25054361      -0.63652879 
Hf       5.28353317       0.84313104      -3.78544063       0.05664753       0.17713438       0.48481635 
Hf       5.40915672      -0.03756370      -9.01611205       0.39023665      -0.78407455       0.09133523 
Hf      10.36842727       5.91999820      -3.43737921      -0.80144917      -0.52531327       0.43711176 
Hf       0.25562276       4.97480013      -8.99344895      -0.08602026       1.04548207      -0.28554519 
Hf       5.38979534       5.90205295      -3.68879944       0.67345865       0.50870375      -0.34220766 
Hf       5.42057513       5.01530683      -8.92564972       0.82959138       0.58914656      -0.44352951 
Hf       2.38152325       1.30136833      -1.15434853       0.38981541      -1.05167118      -0.02906403 
Hf       2.31614430       0.37575841      -6.35379362       1.29396511      -0.84756134       0.56347268 
Hf       7.57809526       1.23701900      -1.08721188       0.02007694      -0.29851848       0.22070007 
Hf       7.51440244       0.44260205      -6.32389951       0.42664772      -0.69001222       0.37607088 
Hf       2.44547521       6.37058695      -1.04456438      -0.87062456       0.20571708      -0.56362387 
Hf       2.53594455       5.46012930      -6.54719980      -0.02627953      -0.92680406       0.36476212 
Hf       7.52449485       6.33879124      -1.05509322      -0.39415129      -0.21879370       0.51006603 
Hf       7.59415793       5.42191176      -6.33220704       0.48119340       0.55190955       0.53008854 
Hf       4.90243845       3.39985682      -1.69132219       0.45592247       0.35901112       1.11797735 
Hf       4.86982861       2.60690017      -6.78753247       0.67952580      -0.93302547       1.69411166 
Hf      10.26425376       3.38028339      -1.42790021      -1.13986971      -0.10921982      -0.98598575 
Hf      10.17412533       2.58129822      -6.76968767      -0.67042591       0.56583006      -0.17726732 
Hf       4.97155240       8.55207441      -1.55284625       0.90749105       0.43556766       0.06896704 
Hf       5.07556237       7.74868835      -6.75929261      -0.94027787       0.16184939      -0.01575994 
Hf      10.17617263       8.60570943      -1.57518782       0.22214237       0.61235220       0.56033583 
Hf      10.12328478       7.71522951      -6.83474457      -0.53822669      -0.35402092       1.07743056 
O       1.36830210       2.31061901      -2.68054366      -0.48714452       0.77042750       0.73331114 
O       1.48321555       1.38116749      -8.02607006      -0.88208472       0.20756848      -0.25243818 
O       6.49900972       2.36676006      -2.77007931       0.40307305       0.25585987       0.42058758 
O       6.55760267       1.52585778      -7.94224379       0.33799259      -0.20289779      -0.46782683 
O       1.39321627       7.44788551      -2.66512513      -0.99944110      -0.34925499      -0.65212764 
O       1.41463929       6.57551159      -8.01550311      -0.30929965       0.01665555      -0.08229169 
O       6.43662036       7.60230609      -2.73660345       0.75820977      -0.74096058      -0.38420501 
O       6.63470781       6.62431239      -7.98630876      -0.97859987      -0.31365457       0.16425023 
O       3.92641684       1.28477367      -5.28328418      -0.21213130      -0.24157159      -0.20709757 
O       3.89109534       0.56737335     -10.40979579       0.29611308      -0.71445748       0.05556024 
O       9.07527267       1.49104310      -5.02126529      -0.71831325      -0.29561836      -0.64619268 
O       9.06061560       0.55579908     -10.35717998       1.39067975      -0.42561832       0.28155009 
O       3.94419889       6.61893069      -5.07046011       0.16289701      -0.12259550      -0.79062175 
O       3.91345869       5.60590644     -10.35421294       0.27213217       0.34651356       0.10989320 
O       9.17411793       6.60841492      -5.09316574       0.14390133       0.25320701      -0.01329403 
O       9.19041210       5.70653234     -10.36854791      -0.71755357      -0.15344952      -0.08197913 
O       3.93881921       1.74819643      -2.42409837       0.06989474      -0.53344167      -0.21351167 
O       3.94600410       0.97971060      -7.78596673      -0.35161190       0.04647058      -0.70383509 
O       9.10260028       1.75308863      -2.40422654      -0.06591058       0.71460045      -0.47910308 
O       9.13754503       0.97716876      -7.74141065      -0.60394526       0.25563607       0.26238101 
O       3.91072230       6.91289348      -2.46378030      -0.16827639       1.15278757       0.02618214 
O       3.99787453       6.20238736      -7.74284303       0.29991009       0.04020030      -0.56492182 
O       8.88611745       7.00786574      -2.44607127       1.41466562       0.42520389      -0.80100139 
O       9.09493588       6.10043146      -7.77727141       0.15136569       0.11488881       0.50785135 
O       1.28320195       2.83738106      -0.08722857       0.12046039      -0.57980399       0.66773263 
O       1.05468061       1.70015020      -5.49700143       0.89137773       0.10655531       0.50576102 
O       6.38884517       2.84410553      -0.14833431       0.43281723      -0.19869515       0.43539946 
O       6.37682328       1.92741796      -5.27484266       0.57165946       0.29281286      -0.97395760 
O       1.23537127       7.94890331      -0.18161234       0.58313487       0.30790940       0.71181964 
O       1.34875619       6.96256166      -5.36234949       0.23035358       1.05655132      -0.35737033 
O       6.42902527       7.89116824      -0.09368989      -0.02913458       0.45079227       0.21479527 
O       6.49124038       7.00757767      -5.41042422      -0.18920314       0.60812065       0.17376647 
O       3.44977286       4.61513154      -0.86181294       0.04646428      -0.04115730       0.52663568 
O       3.48477216       3.80922675      -6.15109789      -0.11568969       0.29002737       0.28701980 
O       8.71948600       4.63936805      -0.83973042      -0.66099328       0.20026841       0.52073358 
O       8.74975532       3.82624469      -5.99154287       0.49050450      -1.00042082      -0.03814654 
O       3.50303975       9.72627089      -0.89048626      -0.84829715       0.81675603       0.57247207 
O       3.46021719       8.89664440      -6.02198459       0.43996919      -0.24151940      -0.45417687 
O       8.73552799       9.78303096      -0.81064327      -0.44823434       0.42877096       0.51610581 
O       8.64800794       8.96530717      -6.03951164       0.16790036      -0.22728160      -0.39427830 
O       0.99920579      -0.01651595      -1.91709002      -0.07670461      -0.45655521       0.61864056 
O       0.87853550      -0.95884227      -7.13407676       0.45417506       0.35456354       0.34162736 
O       6.21427470       0.08177293      -1.92911403      -1.29623487      -1.61722374       0.58762096 
O       6.07842305      -0.85325658      -7.16461414       0.51012094       0.46432024       0.68191952 
O       0.83013075       5.14375005      -1.70580733       0.36064366       0.51076085      -0.69377621 
O       0.97288873       4.17531647      -7.11924857       0.28463734       0.71530229       0.03326000 
O       6.04978095       5.14256417      -1.73231689       0.81616108       0.85302065      -0.16982678 
O       6.15736945       4.23866083      -7.00189739      -0.84844248       0.06196643      -0.96142635 
O       1.49297297      -0.69022146      -4.50682242       0.25923899       1.65003660      -0.30919062 
O       1.69917004      -1.33339270      -9.65934659      -0.51177966       0.78076742      -0.86813993 
O       6.82931149      -0.44210888      -4.45984595      -0.34332418       0.57969351      -0.76343812 
O       7.02241792      -1.22014054      -9.64797646      -0.38577136      -0.51887124      -0.17851145 
O       1.51193453       5.62735649      -4.77301277      -0.37960764      -0.96092270       0.82817787 
O       1.71140658       3.86622711      -9.74406584       0.88782758      -1.25181125       0.44462175 
O       7.00100186       4.76716630      -4.40566261      -0.06821385      -0.17707230       0.31422168 
O       6.98011571       3.83204890      -9.64006510      -0.71093732       0.23850734       0.06994127 
O       4.43843426       4.26997715      -3.37278496      -0.92947922      -0.59948832      -1.13518658 
O       4.22685606       3.39597955      -8.62108760       0.41132161      -0.07511078      -0.62135543 
O       9.52459765       4.08019315      -3.30838141       0.57346301       0.91588931      -0.64056535 
O       9.52019216       3.35499072      -8.74077757      -0.49313794      -1.31867744       0.47279939 
O       4.27741399       9.38381736      -3.41790755      -0.39265837      -0.77638443       0.11151879 
O       4.30718946       8.48735476      -8.83808082       0.71235583       0.23411441       0.85938562 
O       9.49392342       9.36451118      -3.43210634      -0.27400542      -0.33832515       0.12366042 
O       9.47722299       8.44027999      -8.61301916       0.20313336       0.60782830      -0.44840068 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0025784824758816006 0.00017407824853962568 -0.0009435282043032045 0.00017407824853962568 -0.0006490919206402641 0.0009581339785332113 -0.0009435282043032045 0.0009581339785332113 -0.002623190642927649" pbc="T T T" energy=-961.28296945 free_energy=-961.28296945 config_type=crystal 
Hf       2.79789833       2.95088933      -4.12095836       0.15551156       0.82676098      -0.90933018 
Hf       2.83263402       2.11334418      -9.32680808      -0.63701967       0.56091459      -0.98158572 
Hf       7.95296111       2.91630829      -4.22342171       0.31006819       1.53347785       0.78230444 
Hf       8.04013412       2.24716202      -9.41079827       0.23218622      -1.28752795       0.12913032 
Hf       2.84290254       8.13539337      -4.18505666       0.07640784      -0.09765353       0.29607185 
Hf       2.89158917       7.28468589      -9.48653490      -0.74911073       0.40098760       1.01190826 
Hf       8.06424096       8.20602781      -4.05821621      -0.73617156      -0.44540962      -1.83670652 
Hf       7.99317331       7.22580538      -9.44536714      -0.48023827       1.16621194       0.15213319 
Hf       0.25994980       0.80822316      -3.69763085      -0.38676815      -0.47517443       0.29745399 
Hf       0.21194955      -0.13173035      -9.01083256       0.29749251       0.15671646       0.36878062 
Hf       5.38099050       0.76774863      -3.65136181      -0.09022126      -0.68833565      -1.33516104 
Hf       5.52329317      -0.05036457      -9.00054105      -1.00316823      -0.53708600       0.36237277 
Hf       0.15051381       5.88782317      -3.66821546       0.29369226      -0.03268772      -0.55939116 
Hf       0.20818473       5.02766810      -8.95798091       0.06105508       0.41929084      -0.72887308 
Hf       5.39338643       5.90564109      -3.75170015       0.62600001       0.07799722      -0.11970400 
Hf       5.38168738       4.99182943      -8.99770463       0.16252297       0.71285449       0.46612491 
Hf       2.38631277       1.25714084      -1.08536672      -0.85529469      -0.08481789      -0.39331688 
Hf       2.35993627       0.32734778      -6.30591957       0.85886817       0.02970556      -0.46495594 
Hf       7.54445159       1.25458072      -1.11541761       0.08249826      -0.13791363      -0.24907457 
Hf       7.64923335       0.28815910      -6.37174700      -0.02921080      -0.34194435       0.43441030 
Hf       2.36276680       6.49240774      -1.07261575      -0.58422640      -1.19806474      -0.44858003 
Hf       2.25726125       5.43754545      -6.39087339       2.55494528      -0.50163422       1.12092152 
Hf       7.58649966       6.37847024      -1.11630827      -0.21955581       0.76241283      -0.27747165 
Hf       7.56276033       5.52372051      -6.35073900       0.11406583      -0.59362847       0.16059077 
Hf       4.92726149       3.52421076      -1.44076941       0.21709662       0.47936557      -1.90483893 
Hf       5.07939369       2.51130740      -6.74494944      -2.35009856       1.11735458      -0.26030671 
Hf      10.15686113       3.49236066      -1.55333453      -0.08465434      -0.29547135       0.06870977 
Hf      10.19593352       2.59409423      -6.73808752      -0.41557956      -1.27811157      -0.27172775 
Hf       4.97206932       8.59613717      -1.51253692       0.23778342      -0.83273897      -1.57855228 
Hf       4.96651249       7.67212362      -6.80656782       0.64832445      -0.01124288      -0.34367082 
Hf      10.18108766       8.57817630      -1.50731718      -0.22229042       1.11240264      -0.56020767 
Hf      10.19253787       7.69271590      -6.81679623      -0.02873495       0.51486994       0.43592113 
O       1.30721922       1.47615589      -7.95472247       0.63316900       0.00876502      -0.67145108 
O       6.36013751       2.41525341      -2.68300731       1.24418630      -0.58495772      -0.64332887 
O       6.64391184       1.47914395      -8.04070189      -1.01043626      -0.01772060       0.74725991 
O       1.34107060       7.61540157      -2.62794749      -0.10099896      -0.52661459      -1.19987996 
O       1.30761540       6.60399458      -8.02865667       0.28832180      -0.10575524       0.34294248 
O       6.60445189       7.51185216      -2.75409784      -0.56836598      -0.13759810       0.28929407 
O       6.52198973       6.55792249      -8.03046414       0.05890277       0.11410456       0.14553023 
O       3.95048814       1.39885664      -5.04471646      -0.15304893      -0.23619994      -0.71310778 
O       4.01438804       0.57898186     -10.40470920      -0.86790482      -0.01558311       0.54855197 
O       9.16517604       1.41580437      -5.10102532      -0.24725593       0.13483309      -0.85187677 
O       9.19309840       0.47457536     -10.47240048      -0.92519584       0.40876661       0.15696107 
O       4.01901037       6.51728852      -5.23101637      -0.63911559       0.11838006       0.47435200 
O       3.91407826       5.70424923     -10.37285252      -0.07089837      -0.41374060      -0.74647102 
O       9.14232363       6.60775163      -5.21013921       0.38232689      -0.13109432       0.73241910 
O       9.02667580       5.79188633     -10.47884312       1.20274560      -1.46805402       1.06082118 
O       3.73334510       1.87950902      -2.51672897       0.38453419       0.37664756       0.37258091 
O       3.89034288       0.98490163      -7.77168583       0.05247352      -0.16947045       0.46972268 
O       8.98790951       1.91654353      -2.62885453       0.02626548      -0.28252855       1.02350041 
O       9.09992104       0.97069872      -7.78325170       0.29034107       0.49828538      -0.07805563 
O       3.77477651       7.05971166      -2.56429378       0.60086207      -1.07451421       0.52042928 
O       3.82694982       6.11105523      -7.81898992      -0.32418754       0.14625530       0.38666876 
O       9.04764508       7.01031278      -2.54636404       0.32529379      -0.14682801       0.49906466 
O       9.04031815       6.20728487      -7.77048782      -0.01542218      -0.75358214      -0.30562490 
O       1.25780454       2.84301745      -0.12355030       0.43420200      -0.10243838      -0.15247878 
O       1.27969357       1.87556452      -5.38675401      -0.27154095       0.09887716       0.85789637 
O       6.42803902       2.94137686      -0.17430572       1.03529787      -0.82278783       1.03900299 
O       6.44639098       1.88650187      -5.36634980       0.76331322      -0.03819428       0.04393983 
O       1.20582979       7.94101736      -0.10300654       0.27026357       0.44891136       0.70180653 
O       1.35779159       6.97663503      -5.30603423      -0.81256384       0.32141505      -0.40787563 
O       6.44826612       8.02027900      -0.15578909      -0.06328327      -0.70618784       0.38643049 
O       6.52725241       7.01775413      -5.35654603      -0.63306751       0.69590034      -0.51953196 
O       3.43535789       4.73847050      -0.79507489       0.24183243      -0.40717663       0.25044375 
O       3.37587417       3.65478892      -6.01656586       0.76987608       0.25378098      -0.80857979 
O       8.68264732       4.65021769      -0.73604187       0.10807831       0.49235450      -0.26835462 
O       8.80649797       3.80084027      -5.98897600      -1.02641009       0.30924315       0.39491429 
O       3.43880840       9.76535214      -0.99765460      -0.37958442      -0.09635452       1.25867611 
O       3.56576679       8.90660957      -6.06287460      -0.66146144       0.31013312      -0.04182491 
O       8.59105364       9.79367901      -0.85527317       0.06829022       0.65862983      -0.10320324 
O       8.78715612       8.94975884      -6.06033010      -0.25141254      -0.03335280       0.38843345 
O       0.88817011       0.08539757      -1.81022756      -0.38343226       0.13856839       0.13939538 
O       0.94228879      -0.86051047      -7.08356884      -0.23229231      -0.52698593      -0.11880259 
O       5.93743672       0.02018514      -1.87829088       1.47869762       0.87031308       1.44764350 
O       6.20397667      -0.91431472      -7.14648037      -0.36895650       0.17462480       0.09385702 
O       0.75214701       5.30895161      -1.76192949       0.47937066      -0.68422022      -0.38251463 
O       0.93460028       4.20964171      -7.16487571      -0.20141287       0.36074830      -0.28054050 
O       6.07822730       5.28620082      -1.75182215      -1.37285211      -1.16957178      -0.83986680 
O       6.04079480       4.26201898      -7.16556844       0.94203033       0.00368642       1.10967769 
O       1.75491220      -0.38521737      -4.38054228       0.35137825      -0.48629754      -0.48511007 
O       1.75817060      -1.31709501      -9.73705145      -0.21597197       0.17329757       0.50666253 
O       6.98946926      -0.34899716      -4.40865339      -0.06966274       0.09624130      -0.10717565 
O       6.86441416      -1.27943558      -9.77394105       0.73064659      -0.14491187      -0.25561578 
O       1.49362423       4.53530571      -4.47533851       0.22629809       0.76834042       0.01269979 
O       1.57957961       3.79574401      -9.78655803       0.56186989      -0.20937029       0.96177552 
O       6.86036309       4.69668557      -4.54459806       0.04652234      -0.40718300       0.30814282 
O       6.85459637       3.82624644      -9.73927484       0.24481015       0.38629187      -0.00348562 
O       4.36586211       4.16129541      -3.55737538      -0.34999093       0.22713851       1.31288609 
O       4.31876373       3.31588403      -8.61734897      -0.77486413      -0.51482578      -0.70793629 
O       9.32925615       4.27958572      -3.32943403       0.28223064      -0.06310682      -0.23772637 
O       9.36742147       3.47523631      -8.54150839      -0.06427776      -0.56283585      -0.39941412 
O       4.47551390       9.11754130      -3.52764486       0.05056608       1.68049656      -0.15388810 
O       4.41912193       8.39847185      -8.79042676      -0.21789733       0.46807191       0.28973173 
O       9.52152534       9.31680647      -3.34339445       0.62787203       1.00017602      -0.41299585 
O       9.52056975       8.43603500      -8.69761502      -0.03907594       0.35146569      -0.28270140 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0007310560426322756 -0.0013570837395656997 0.001266926875381853 -0.0013570837395656997 8.761177024909438e-05 -0.0025990416137271852 0.001266926875381853 -0.0025990416137271852 -0.0034621558372448825" pbc="T T T" energy=-962.16266866 free_energy=-962.16266866 config_type=crystal 
Hf       2.92651085       2.99071092      -4.18199459      -1.51310287       0.35915729       0.54701865 
Hf       2.80518836       2.09140733      -9.37668954       0.24597121       0.75953151      -0.60777704 
Hf       8.06028891       2.96220994      -4.17818109       0.08449983       0.11172898      -0.76332356 
Hf       7.93653654       2.12526523      -9.44457634       0.95619872      -0.73953715       0.37774710 
Hf       2.86803749       8.20985503      -4.09670138      -0.24292198      -0.72359770      -0.56850234 
Hf       2.76326373       7.26550305      -9.40775804       1.36796350       0.31671401       0.07106757 
Hf       8.02527247       8.12454951      -4.21223638       0.76906854       1.11780952       0.77675452 
Hf       7.95900836       7.31572522      -9.47507792       0.74022840      -0.18934936      -0.03153928 
Hf       0.22985587       0.79535064      -3.67904502      -0.02912366      -0.56002525      -0.19543890 
Hf       0.18617154      -0.11981594      -8.98031713      -0.41058634      -0.55495838       0.48315042 
Hf       5.54160669       0.77753036      -3.69767516      -1.43920069      -0.00923496       0.19607593 
Hf       5.36504379      -0.13324744      -8.93487343      -0.04967594       0.46362825      -0.60608937 
Hf       0.19909166       5.89344651      -3.73367610       0.73958428       0.34519691      -0.35673129 
Hf       0.18200794       5.02119393      -8.92375258      -0.57628485       0.15057298       0.30555007 
Hf       5.46062006       5.87110835      -3.74264843      -0.50349221       1.49412120       0.16453534 
Hf       5.42196909       4.99274136      -8.97650258      -0.18220017       0.37476433       0.34601603 
Hf       2.28152290       1.23223979      -1.11886316       2.38719930       0.55405287      -0.09180459 
Hf       2.35498655       0.34491995      -6.29624433       0.30439893      -0.65623994       0.11771087 
Hf       7.55496771       1.32137844      -1.15035830       0.27976085      -0.75864255       0.55104210 
Hf       7.60303218       0.28971887      -6.37711385       0.76528248       0.64511710       0.59853480 
Hf       2.37479253       6.46261301      -1.03340804      -0.00804948      -1.24148669      -0.42060177 
Hf       2.40736672       5.49507187      -6.35562545       0.15722556       0.15280835       0.89315210 
Hf       7.55875747       6.38420667      -1.11168360       1.07943628       0.22853117      -0.66168426 
Hf       7.53821981       5.49432717      -6.32714398       0.75206519      -0.69492178      -1.05726675 
Hf       4.91042869       3.55428943      -1.54693285       0.05126245      -1.09559583       1.05848610 
Hf       5.00294990       2.50857189      -6.76337640      -0.01098350       0.39649552      -0.49722839 
Hf      10.14349578       3.53644509      -1.53534776       0.81669445      -0.74320344      -0.89149651 
Hf      10.20958418       2.53985518      -6.76150624      -0.86848558       0.36102975      -0.12553535 
Hf       5.00610024       8.56838222      -1.53932244      -0.40768492       1.03480902       0.20725062 
Hf       4.96126954       7.74829561      -6.78016935      -0.73851371      -0.72344398       0.55433397 
Hf      10.19134600       8.54541576      -1.52103452      -1.22203499       0.92818219      -0.95573988 
Hf      10.24772571       7.69244806      -6.76725111      -1.24702186      -0.00602759       0.05153496 
O       1.33810271       1.52662134      -7.94089047       0.03742665      -0.67281059      -0.73288593 
O       6.59949208       2.44083544      -2.77012835      -0.81861453      -0.53780501       0.17717090 
O       6.54489846       1.47504522      -7.99591963      -0.43574145      -0.39403495      -0.07866199 
O       1.40442646       7.51197454      -2.71456304      -0.52644762       0.27237337       0.46250488 
O       1.39900023       6.75862117      -7.88970652      -0.18707459      -1.09443050      -0.79146063 
O       6.57274029       7.52368243      -2.81597884      -0.32985116      -0.43095828       0.73587027 
O       6.55811554       6.55612439      -8.05812100      -0.12917174       0.44394485       0.60780816 
O       3.93439336       1.42387994      -5.18403045       0.81013910      -0.03277665       0.95409204 
O       3.95108267       0.54689248     -10.34145220      -0.43161010       0.43072107       0.11798452 
O       9.11159381       1.36243783      -5.11453338       0.59832522       0.66933775      -0.39399111 
O       9.10088589       0.40007042     -10.36379997       0.04134376       0.99988969      -0.33224745 
O       3.90415324       6.61760246      -5.11941394       0.42960594      -0.42079312       0.15539677 
O       3.89397418       5.63345484     -10.34780138       0.00605508       0.20977441       0.05279667 
O       9.00247088       6.55990335      -5.23478986       1.10420140       0.02669037       0.69856960 
O       9.11212507       7.41772543      -0.01141666       0.11726435       0.20595233       0.87970870 
O       3.85663988       1.92386587      -2.44840009      -0.21141303       0.16610775      -0.77490349 
O       3.88058473       0.91685861      -7.72334208      -0.31373110       0.78775459      -0.19783563 
O       9.07561617       1.87822074      -2.55094355       0.21366373       0.21886553       0.41746159 
O       9.04778462       0.91024811      -7.79529146       0.43863923       0.86690552       0.08088160 
O       3.89746917       7.09127504      -2.44005548      -0.23429471      -0.89855961      -0.27582050 
O       3.91060406       6.16961883      -7.77115923      -0.29918667      -0.54695035       0.06796335 
O       9.07395871       7.00190502      -2.63385187      -0.16734950       0.01618727       0.63771973 
O       9.10693730       6.05752044      -7.75474041      -0.25826399       0.38487747      -0.16176438 
O       1.24320004       2.90487416      -0.28230413       0.43689127      -0.76612167       1.44882909 
O       1.26061096       1.86783511      -5.27703949      -0.09562783       0.55232449      -0.24603559 
O       6.41874282       2.91627494      -0.13895771       0.35156614      -0.45301094      -0.13902560 
O       6.54517058       1.89034117      -5.40243957      -0.98677452       0.24561282       0.13558798 
O       1.19446509       6.16767737     -10.49881670       0.49643388       0.27339119      -0.52642449 
O       1.23356284       7.00435228      -5.37777128      -0.19819748       0.20103552       0.67624810 
O       6.43955427       7.89144520      -0.18360073       0.00919420       0.20895933       0.65971776 
O       6.40899860       7.11519352      -5.31017860       0.28944733      -0.60036012      -0.97462930 
O       3.35451526       4.62465540      -0.88020198       0.12505048       0.58045149       0.87790680 
O       3.49406825       3.74456371      -6.05242557       0.45295662      -0.00156689      -0.09540607 
O       8.66110377       4.58559367      -0.88700804      -1.24292885       0.80462570       0.92166800 
O       8.70095792       3.73204689      -6.07993144      -0.13069623       0.22113859       0.17138165 
O       3.59450926       9.80322406      -0.73589717      -0.76802297       0.16045845       0.07071565 
O       3.52764345       8.94196721      -6.01296868      -0.26640711       0.17629764       0.38527272 
O       8.61625437       9.77606252      -0.80099533       0.52105408       0.11494440      -0.36134136 
O       8.81847008       8.99185042      -6.01018182      -0.62027972      -0.55042295       0.14580911 
O       0.88761828       0.04139379      -1.73402670      -0.76793634      -0.75873865      -0.77467741 
O       0.89582100      -0.84265220      -7.00638671      -0.17304340       0.15293184      -1.27371235 
O       6.15121829       0.01346685      -1.88294380       0.08039687       0.45529108       0.10250323 
O       6.10479227      -0.88823899      -6.99199776       0.04294374       0.16018895      -0.91765229 
O       0.83341554       5.26669758      -1.84228784      -0.09734252      -0.33694369       0.38551990 
O       0.95139308       4.26144971      -7.01402672      -0.72131975      -0.05361889      -0.64817909 
O       6.11856221       5.19984454      -1.83421888      -0.69561502      -0.22193165      -0.37008886 
O       6.09412445       4.21590449      -7.10187378       0.01179871       0.37641310       0.06398613 
O       1.62689379      -0.52055304      -4.45867881       0.32505951       0.75005802       0.08999806 
O       1.68978687      -1.30110187      -9.76686418      -0.70220432       0.45681459       0.92333506 
O       6.97871136      -0.34564964      -4.38271926       0.33152722      -0.95382652      -0.78789378 
O       6.83028235      -1.25243212      -9.80746648      -0.00688588      -0.67865133       0.79786563 
O       1.75262114       4.76447150      -4.41384635       0.34412621      -0.88873036      -0.12638230 
O       1.65895305       3.84495374      -9.61253037       0.90506757      -0.54464769      -0.76871769 
O       6.88229918       4.68731474      -4.48958329       0.02210127       0.01855729      -0.03750173 
O       6.94085245       3.82459552      -9.72158293      -0.48433149       0.43326715      -0.20732701 
O       4.26786199       4.27212978      -3.36637950       0.31814979      -0.03621041      -0.68984848 
O       4.28784086       3.34495805      -8.68957273      -0.41162356      -1.12867195       0.08140319 
O       9.50074600       4.19282300      -3.47074870       0.32424071       0.19746180       0.00900032 
O       9.43820609       3.36513371      -8.71103372       0.31182030      -0.85290543       0.41847356 
O       4.27661945       9.39100067      -3.33425338       0.53458090       0.82972695      -0.72373575 
O       4.20267941       8.51876651      -8.57342440       0.34504603       0.08396915      -0.42829308 
O       9.52055946       9.39177913      -3.37114152      -0.39256903      -0.89548266       0.21371487 
O       9.44454687       8.42272720      -8.63890394       0.55390826       0.63804631      -0.29778336 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0011247981443520013 -0.00018410406578815063 0.002040426028915376 -0.00018410406578815063 1.8991788798420095e-06 0.0013252566180498844 0.002040426028915376 0.0013252566180498844 -0.002849474253169679" pbc="T T T" energy=-961.91724318 free_energy=-961.91724318 config_type=crystal 
Hf       2.82687239       2.95972449      -4.13686937      -1.08340956       0.18524894       0.49043999 
Hf       2.87636209       2.04111424      -9.44612938      -0.54810109       0.67795011       0.62894457 
Hf       7.99635732       2.97250433      -4.20246852       0.41252800       1.18856310       0.19430384 
Hf       8.04670671       2.16266780      -9.51804138      -0.56409053      -0.24892624       1.14981900 
Hf       2.83887765       8.18214998      -4.16066822      -0.41877682      -0.42826264       0.38616742 
Hf       2.77213995       7.29137990      -9.39073564       0.68853754       0.32946722      -0.46856681 
Hf       7.97615921       8.20140388      -4.24722338       0.65050915      -0.57821463       0.26586229 
Hf       8.00954998       7.26224829      -9.36728794       0.84797202      -0.42212860      -0.05739743 
Hf       0.19068051       0.76304579      -3.74823453       0.39599473      -0.65008802       0.60662234 
Hf       0.17810524      -0.08741582      -8.93966611       0.73508580      -0.08627948       0.61894669 
Hf       5.40184392       0.83171606      -3.68596197      -0.28222270      -0.70725103      -0.45193881 
Hf       5.48339060      -0.12997123      -8.92331901       0.09384307       0.43651043      -0.97545560 
Hf       0.19221516       5.91484178      -3.71083712       0.18205489       0.79379478      -0.07667071 
Hf       0.27785509       4.97573393      -8.93709767      -1.36881791       0.71496485       0.10536952 
Hf       5.41806099       5.90057740      -3.71302345      -0.27032078       0.95608076      -0.24719594 
Hf       5.40281978       4.99408762      -8.97831309      -0.73735604       0.52887936       0.25757765 
Hf       2.35477427       1.24658381      -1.07793692      -0.38768805      -0.52932423      -0.16739445 
Hf       2.36654887       0.33805861      -6.27865385      -0.18507532      -0.60590526      -1.61247724 
Hf       7.65814168       1.21269612      -1.15992297      -0.54498034      -0.53968829       1.36428465 
Hf       7.52125100       0.39722761      -6.33374496       0.68171697      -0.76724852      -1.11064196 
Hf       2.38770538       6.37132144      -1.04415560       0.33138112       0.42595701      -1.13455769 
Hf       2.39520571       5.45008454      -6.29186159      -0.82849063       0.51347454      -0.21290900 
Hf       7.59389942       6.46906660      -1.10942461       0.09272848      -0.47079219      -0.07793568 
Hf       7.46893451       5.46531585      -6.39664430       1.10810080       0.44580338       0.44125820 
Hf       5.05807042       3.48729652      -1.56849275      -0.67239463       0.26525640       0.76123208 
Hf       4.87025357       2.56351893      -6.73543182       0.88719080      -0.31857734      -1.35916234 
Hf      10.21852347       3.46992466      -1.51692931       0.14301777       0.07139742      -0.81962884 
Hf      10.10415480       2.59360103      -6.74175821       1.35037297      -1.18161063      -0.73064463 
Hf       5.02281957       8.63277748      -1.49353716      -1.35263395      -0.58030470      -1.11027036 
Hf       4.91993986       7.67715046      -6.82724431       0.94024912       1.14493224       0.61997180 
Hf      10.20398766       8.58073652      -1.50330250      -0.79341717      -0.41185290      -0.84584182 
Hf      10.18688014       7.69100309      -6.78288407      -0.54093435       0.44223841       0.40354545 
O       1.28749824       1.45522556      -8.06110232       0.96683629       0.28963892       0.71835755 
O       6.60530732       2.34048258      -2.72925115      -0.77119246       0.32759866      -0.07214977 
O       6.56563739       1.56640943      -7.95235470      -0.02221301      -0.66662037      -0.14217805 
O       1.36875917       7.47370258      -2.72030602      -0.36333700      -0.00077489      -0.05016624 
O       1.38222635       6.58456871      -8.00383875      -0.51538561      -0.16965776       0.38996989 
O       6.49742977       7.46900653      -2.80926655       0.08520880       0.70996019       0.75124145 
O       6.51034314       6.52926589      -7.99034046       0.05103602       0.47042728      -0.58580527 
O       3.93280209       1.36068112      -5.16859963       0.18037378       0.52504851       0.87201285 
O       4.06966555       0.62580234     -10.40557329      -0.74630957      -0.51346607      -0.05750696 
O       9.14824049       1.39038485      -5.12912604      -1.08060944       0.87712469      -0.49736010 
O       9.26434528       0.56580817     -10.45827237      -1.09453926      -0.00167259       0.09757287 
O       3.96004378       6.65510805      -5.12436581       0.00228414      -1.21643102      -0.45274227 
O       3.96925125       5.66044223     -10.39523820      -0.29793025       0.51297628       0.05566865 
O       9.10343296       6.60040957      -5.10229652       0.23927231      -0.14672549      -0.15026413 
O       9.16022850       5.61832374     -10.37175763      -0.15824537       0.23503161       0.33946529 
O       3.79847220       1.93768849      -2.46420410       0.31574903      -0.19162513      -0.56496943 
O       3.87604677       0.92434638      -7.75743864      -0.07146788       0.70125913      -0.10037897 
O       9.02287316       1.76157638      -2.57942009       0.64980121       0.82058263       0.04664361 
O       9.12919123       0.89518484      -7.70784070      -1.04590075       0.64630417      -0.25194235 
O       3.83813123       6.97780510      -2.56745268       0.50061807       0.61997102       0.83771366 
O       3.88712958       6.22198141      -7.76959558      -0.93084709      -1.24273002      -0.02334740 
O       9.01350257       7.04518528      -2.47923852       0.21252849      -0.63712971      -0.15058995 
O       9.03938656       6.12761913      -7.71510878      -0.01561465       0.22972313      -0.41123359 
O       1.33186189       2.90636540      -0.14288503       0.10146810      -0.44472462      -0.82877158 
O       1.28878902       1.93229036      -5.35357363      -0.62992618       0.23637231       0.32911154 
O       6.48606092       2.80033088      -0.13807198       0.91556958      -0.17370318       0.00809587 
O       6.38598046       2.04786941      -5.31987032       0.42970665      -0.55283935      -0.11659156 
O       1.28418041       7.97803656      -0.17040223       0.27730914       0.21056392       1.06461169 
O       1.24574473       7.14260287      -5.32937188       0.27164173      -1.06899092      -0.32436854 
O       6.47236558       8.01686481      -0.09178057       0.02506069      -0.22418291      -0.52688123 
O       6.50661978       7.11991833      -5.47500701      -0.71631157      -0.12253779       0.31564643 
O       3.53438862       4.70882140      -0.82537780       0.39195453      -0.53393210       0.16086051 
O       3.36242467       3.66201280      -5.97960612       0.42111177       0.90721239      -1.12977680 
O       8.71069498       4.68902520      -0.82366998      -0.28157020       0.18798859       0.17690181 
O       8.70704664       3.82243541      -6.13462625      -1.28695736      -0.43315840       1.30142402 
O       3.44809950       9.80513374      -0.78571856       0.45134720      -0.14165158      -0.52539390 
O       3.48297204       8.86885309      -6.07964445      -0.32831807       0.70441843       0.27819002 
O       8.64935941       9.74801350      -0.80123926       0.23585125      -0.21884679      -0.25727081 
O       8.70960005       8.96883154      -6.10905764      -0.66016291      -0.04054346       0.48603709 
O       0.73729398       0.03437311      -1.82887051       1.60938024       1.40289538       0.52756202 
O       0.95254931      -0.92275019      -7.01863407      -0.31191203       0.33783744      -0.50943836 
O       6.14224928      -0.02147512      -1.90812220       0.09685523       0.59070145       0.77337753 
O       6.09610525      -0.89444881      -7.17026272       0.61021809       0.33404381       1.20886446 
O       0.89537962       5.17179035      -1.79315266      -0.25095712      -0.21106298      -0.23482755 
O       0.80039611       4.28394213      -7.02507891       1.28933668       0.85067222       0.13630464 
O       6.23386706       5.12377349      -1.87107698      -0.69374635       0.06068695      -0.08064418 
O       5.98212777       4.24624150      -7.05918848       0.14703640       0.36766794       0.23963469 
O       1.75750946      -0.33047224      -4.41675963       0.13578848      -0.63747027       0.25345848 
O       1.77502293      -1.17639595      -9.66175732      -0.18990036      -0.77349696      -0.14879187 
O       6.88701451      -0.31058919      -4.47527183       0.13603430      -0.31823410      -0.17707501 
O       7.11090521      -1.27637356      -9.64979789      -1.66009517       1.02607698      -0.27524240 
O       1.71882691       4.75471515      -4.47196698       0.00052670      -0.21440580       0.60650004 
O       1.69744140       3.87522115      -9.66417193       1.06840681      -1.06056053      -0.47504442 
O       6.88999881       4.80532755      -4.48312879       0.89439357      -1.37025056      -0.11312256 
O       6.79592466       3.82921815      -9.69908448       1.58708329      -0.82002446      -0.80847237 
O       4.32860230       4.18770789      -3.50599801       0.31491464      -0.21572526       0.58714983 
O       4.22331256       3.37494218      -8.64773336      -0.36398228      -0.74837093       0.40275235 
O       9.58014915       4.11307862      -3.47718262      -0.37748563      -0.02572818       0.18643262 
O       9.52564416       3.26415299      -8.62685641      -0.57269587       0.12034880      -0.89608171 
O       4.28437352       9.40430681      -3.47452891       0.60600905       0.06817987       0.90311095 
O       4.24908454       8.54002510      -8.70811309       0.48002537      -0.45377374      -0.02740741 
O       9.57306370       9.17506000      -3.49177980       0.17916806       1.39886332      -0.05890708 
O       9.49857983       8.49333331      -8.67850144       0.48842461      -0.69538730       0.17694234 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004742776608614959 -0.0019599857464104122 -0.00248753841384227 -0.0019599857464104122 -0.0038746116997390155 0.00041722004385897477 -0.00248753841384227 0.00041722004385897477 -0.001140987501794409" pbc="T T T" energy=-961.65300783 free_energy=-961.65300783 config_type=crystal 
Hf       2.84770597       3.04242111      -4.04946093       0.13954194      -0.30797777      -1.01194069 
Hf       2.87311180       2.07827492      -9.41734266      -0.75089825       0.50162335      -0.01104833 
Hf       8.08958445       3.04752445      -4.16263225      -0.54258633      -0.30539400      -0.01762676 
Hf       7.98500685       2.13515703      -9.47655178       0.87512289       0.00763095       0.97547364 
Hf       2.81268901       8.11231625      -4.15020963       0.29073410       0.24718528      -0.37315269 
Hf       2.79872882       7.33630072      -9.35261558      -0.17797793      -1.14678173      -1.02152216 
Hf       8.00838928       8.22522961      -4.16549838       0.43972585      -0.79321691      -0.40865988 
Hf       8.05118202       7.22576309      -9.43811932      -0.89470915      -0.01356319       0.43804278 
Hf       0.23059431       0.70551674      -3.72676325      -0.22684181       0.55853469       0.20181035 
Hf       0.18485540      -0.10210927      -8.90707691       0.07595234      -0.06404362      -0.66391532 
Hf       5.36241265       0.82654743      -3.66999635       0.65797051      -1.01108394      -0.94739493 
Hf       5.45711053      -0.05508343      -8.96346138      -0.49991253      -1.50551693      -0.17615290 
Hf       0.20922501       5.97019671      -3.73235754       0.09799452       0.52294344       0.61346453 
Hf       0.25126352       4.97085883      -8.95169411      -0.46934259       0.23357781      -0.55552948 
Hf       5.50126325       5.94938714      -3.77840460      -1.31708895       0.79487149       0.50600619 
Hf       5.31592387       4.96302621      -9.00947757       1.47805198       1.46516390       0.53172986 
Hf       2.31338464       1.25141936      -1.13767706       0.39698825      -1.15974344       0.78391288 
Hf       2.35875739       0.36597979      -6.34716576       0.27771529       0.16037836       1.43716633 
Hf       7.61057252       1.23372037      -1.07325797      -0.12119996      -0.24618242      -0.02303639 
Hf       7.54981891       0.32151693      -6.32516798       0.76794689      -0.08492825      -0.40312696 
Hf       2.37019461       6.39215292      -1.12304219       0.36974281       0.45149749       1.06736131 
Hf       2.30275245       5.39469159      -6.30908969       1.86879030       0.37346654       0.19526392 
Hf       7.59584199       6.40745939      -1.09562537       0.00167911       0.24543086       0.05945785 
Hf       7.53957283       5.45686610      -6.36898524      -0.62002823       0.54584661      -0.49204381 
Hf       5.03022463       3.49658078      -1.52537368      -0.01213254       0.40842669      -0.50995952 
Hf       4.99463205       2.51145279      -6.78676613      -0.00268303       0.52261122       0.57265560 
Hf      10.19844423       3.48381607      -1.50071557       0.44196916      -0.20547587      -0.14053655 
Hf      10.20168372       2.53957611      -6.78697384      -1.16647286      -0.62723748       0.14628698 
Hf       4.97358132       8.63216860      -1.54518565      -0.21524131       0.10480865       0.45882243 
Hf       4.88197341       7.77141960      -6.84549538       1.01557004      -1.45774201       1.33534773 
Hf      10.19014457       8.56321653      -1.52051558      -0.42637260       0.44121627       0.11765971 
Hf      10.18736267       7.65805183      -6.82007756      -0.55700109       0.25190282       0.51894933 
O       1.40370922       1.59560856      -7.92607646      -0.42951556      -1.05427068      -0.29547533 
O       6.58329413       2.29807825      -2.70789674       0.28002991       1.05312175      -0.77547796 
O       6.46737512       1.43511571      -8.04368889       0.93724021       0.59456636       0.28320432 
O       1.37491335       7.63640370      -2.72342322      -0.80217810      -0.84528593      -0.00381220 
O       1.29574200       6.62383180      -7.95323328      -0.04910196      -0.43410875       0.09297337 
O       6.66750966       7.54025511      -2.73990441      -1.40005313       0.14666558       0.35023402 
O       6.46567807       6.61898925      -8.10859710       0.16113685      -0.14989915       1.14530396 
O       3.88102050       1.46710353      -5.06648448       0.58959016      -0.38287635       0.02089498 
O       3.91995023       0.45921833     -10.34168553       0.32426509       0.69414139      -0.22893443 
O       9.06747755       1.37911956      -5.16300870       0.75216189       0.71921176       0.42267475 
O       9.16358965       0.38179290     -10.39936440      -0.45274111       1.13244028       0.19623307 
O       3.86911654       6.54737332      -5.14878923       0.79101250       0.05376755       0.10350200 
O       3.92729108       5.74676294     -10.28631468      -0.68563159      -0.00871822      -1.33264408 
O       9.19452322       6.55722720      -5.22764253      -0.44866468       0.21284820       0.65683631 
O       9.16797373       5.67378889     -10.41665214      -0.80144713      -0.07476180       0.44379031 
O       3.87024057       1.89035673      -2.49291354      -0.64595252       0.56463788       0.36834970 
O       3.84349522       0.98491395      -7.67733188       0.26372291      -0.22701561      -0.95126511 
O       9.13669084       1.96248389      -2.43950683      -0.18856320      -0.06172030      -1.09345093 
O       9.03247452       1.07819939      -7.88325633      -0.21853438      -0.99875042       1.22650223 
O       3.80959584       7.02771073      -2.49604576       0.86591234       0.11903127       0.06392822 
O       3.77703016       6.11354775      -7.75927960      -0.07938103      -0.10825136       0.36942016 
O       9.07618036       7.06010292      -2.50258059       0.51625633      -0.70332947      -0.33888186 
O       8.98783532       6.07428874      -7.74030053       0.68482813       0.47168507      -0.81383938 
O       1.24417891       2.80368209      -0.07286797       0.40827273       0.11209649      -0.45594702 
O       1.23479866       1.90386612      -5.27114404      -0.21225634       0.46601426      -0.18499811 
O       6.51689485       2.92338862      -0.12023936      -0.45969635      -1.04529569      -0.21685200 
O       6.49333953       1.82582592      -5.42447673      -1.11348151       1.24157733       0.68801902 
O       1.16076251       7.85733929      -0.08306656       1.32814458       0.50420733      -0.07456056 
O       1.26624146       6.94977158      -5.30645099      -0.16473764       0.90756407      -0.74481292 
O       6.43864845       7.93980347      -0.07856842       0.24934102      -0.14663499      -1.35126438 
O       6.49491314       7.03483121      -5.31940956      -0.46559684       0.51615767      -1.03673140 
O       3.56819750       4.68569513      -0.84541564      -0.51418228      -0.30839943       0.56817962 
O       3.50803052       3.69592403      -6.05012416      -0.86131415       0.79102509       0.08359444 
O       8.77179075       4.61421131      -0.76906757      -1.04945121       0.96324037      -0.01963686 
O       8.62512799       3.76087816      -6.07600138       0.61933676      -0.61041274       0.27249393 
O       3.48362912       9.83347629      -0.79777869      -0.25152495      -0.30564189       0.08564760 
O       3.45839109       8.92091879      -6.03154631      -0.36274393       0.12772389      -0.18538797 
O       8.70327049       9.86633119      -0.80809131      -0.06597823      -0.97306327       0.26131710 
O       8.70249371       8.93284565      -6.09112810      -0.01967318      -0.30006702       0.15681655 
O       0.91126358      -0.04062641      -1.89819422       0.61968995       1.12723904       0.54250975 
O       0.86937978      -0.82296439      -7.00085070      -0.33162203      -0.15622451      -0.67533537 
O       5.92025533       0.16610850      -1.78856359       0.57356296      -1.00522035       0.56031777 
O       5.99574976      -0.78509321      -7.00528940       0.00817937      -0.54428416      -0.36551069 
O       0.90318803       5.26977532      -1.79559037      -0.53196651      -0.86780973      -0.26034179 
O       0.83978406       4.20895307      -7.03799872       0.60561043       1.18693987       0.15131138 
O       6.12542916       5.28132731      -1.90583402      -0.01133399      -1.17845824       0.74067887 
O       6.02454802       4.26250848      -7.13440575       0.34449328       0.05407383       0.48936338 
O       1.71314748      -0.40462194      -4.43506425       0.21410634      -0.61096140      -0.21889003 
O       1.58167533      -1.39088653      -9.72943411       0.21722349       0.86716564      -0.14280026 
O       6.99554415      -0.36366569      -4.36594016      -1.00933576       0.34287523      -0.26341302 
O       6.87672261      -1.38225354      -9.67000353      -0.31447230       1.34605206      -0.29000011 
O       1.75955698       4.74390684      -4.30024976      -0.08564561      -0.38148713      -0.67363565 
O       1.75876357       3.83978496      -9.67037105       0.65581018      -0.65702335      -0.03604938 
O       6.88944220       4.74560240      -4.48073728       0.88274044      -1.40201345      -0.02374982 
O       6.87744775       3.81573836      -9.75786865       0.41135711      -0.06223812       0.00209647 
O       4.39568932       4.23507885      -3.40488998      -0.34174975      -0.67499921      -0.17500187 
O       4.42363693       3.18169446      -8.78543982      -0.60882245      -0.27351470       0.43716661 
O       9.48892454       4.33051889      -3.39380367      -0.37733205      -1.13280215      -0.17815159 
O       9.58277333       3.26108538      -8.70560943      -0.40706643       0.51853132      -0.24926234 
O       4.34670916       9.25927043      -3.49853892       0.71462440       0.92195867       0.56850839 
O       4.24600320       8.47995395      -8.60276293       0.09603535       0.96590780      -0.74834701 
O       9.37815496       9.39420553      -3.29390436       0.81956821       0.38548808      -0.80369425 
O       9.55726089       8.43641363      -8.71870093      -0.37242683      -0.35720154       0.66779551 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0020668971117219787 -0.0014239276808700766 0.000885470759953808 -0.0014239276808700766 0.00021272958647331676 0.0005635627672242214 0.000885470759953808 0.0005635627672242214 0.002290160293418757" pbc="T T T" energy=-961.55725897 free_energy=-961.55725897 config_type=crystal 
Hf       2.81327056       2.96703413      -4.15374739       0.16403186       0.73193851       0.07754752 
Hf       2.83886757       2.15707829      -9.38688728      -0.39850489      -0.57966520       0.27651319 
Hf       7.96367475       2.94518025      -4.16322658       0.36533572       0.82883496      -0.74074219 
Hf       8.06598570       2.18785056      -9.42215738      -1.07026687      -0.34604732      -0.19028162 
Hf       2.86658233       8.12858237      -4.19660363      -0.95427117      -0.65618594       0.73099968 
Hf       2.86226038       7.27592220      -9.42445838      -0.44828492       0.26317090       1.63336575 
Hf       8.01477910       8.15935678      -4.12811147       0.88528340       0.60314395      -0.34147637 
Hf       7.99272695       7.26100913      -9.44507302      -0.35483804       0.60389976       0.38892826 
Hf       0.27875821       0.80707969      -3.68423672      -0.77746576      -0.94486679       0.27558987 
Hf       0.24890222      -0.13217170      -9.01239169      -0.17876859       0.20634229       0.38371579 
Hf       5.37677017       0.72661662      -3.68357897       1.02398414       1.27496840      -0.35273163 
Hf       5.50132466       0.00015940      -8.96915385      -0.54441292      -1.66948134       0.36485083 
Hf       0.15868329       5.87541169      -3.66479468       1.13739618       0.91081628      -1.00390762 
Hf       0.23090851       5.03112038      -8.94819174      -0.72381278      -0.12640074       0.29792262 
Hf       5.40241373       5.90000485      -3.75422039      -0.73461051      -0.02245341       0.30204649 
Hf       5.39957136       5.03807567      -9.00477562       0.30155492      -0.50838079       0.88954775 
Hf       2.34254915       1.22671064      -1.06293285       0.30927530       0.53267210      -0.06382046 
Hf       2.36385175       0.33098595      -6.30568015       0.52851129      -0.17607376      -0.34120957 
Hf       7.53396332       1.28536280      -1.19610746       0.42713966      -0.41945526       2.34933809 
Hf       7.67627908       0.34997741      -6.35554543      -0.60645436      -0.62712275       0.04215597 
Hf       2.32113278       6.43087572      -1.06139126       0.50406393      -0.80458395      -0.32403684 
Hf       2.32258586       5.43284057      -6.40262407      -0.05893031      -0.21419091       1.24764948 
Hf       7.59957200       6.35917015      -1.15599659      -1.46024263      -0.18026729       1.07897545 
Hf       7.53939578       5.50196681      -6.31952381       0.50402801      -0.26827559      -0.15557635 
Hf       4.94134522       3.52685039      -1.51315845      -0.90985633      -0.55259245       0.55040496 
Hf       5.02001606       2.54460078      -6.77567594      -0.23974536      -0.01662847       0.17909570 
Hf      10.17826056       3.46670882      -1.58392798      -0.30980555      -0.41369486       0.89056960 
Hf      10.17952745       2.53077493      -6.72565535      -0.21546222       1.29127177      -0.76073157 
Hf       4.96620338       8.60215520      -1.51793170      -0.07608065      -0.64972936       0.22396013 
Hf       4.96328703       7.70342522      -6.79705996       0.60871690       0.96003018      -0.51394801 
Hf      10.18358465       8.63095575      -1.48469241       0.27406292      -0.16568539      -0.84354119 
Hf      10.20363065       7.67425690      -6.80756905      -0.07741172       0.60174542       0.48239218 
O       1.37426177       1.45465288      -7.92619102      -0.38893019       0.00142534      -0.04810462 
O       6.49327812       2.36026141      -2.76125011      -0.42087211       0.02416420       0.67108628 
O       6.53539861       1.53308289      -7.94510131       0.75029696      -0.04023257      -0.55647164 
O       1.32544287       7.59060826      -2.73394040      -0.01580826      -0.53805119       0.85406876 
O       1.34748172       6.63629841      -7.90731328      -0.36828556      -0.43202131      -0.69125006 
O       6.48789065       7.50643664      -2.72691561       0.50071717       0.07429423      -0.01154699 
O       6.46217820       6.58377887      -7.95033942       0.14698859       0.13493423      -0.48236509 
O       3.99104333       1.43195056      -5.10068668      -0.12589127       0.11614286       0.40343968 
O       3.91630656       0.60568603     -10.27995469       0.67598264      -0.42225256      -0.62745690 
O       9.17621397       1.51174735      -5.21281171      -0.06246953      -0.79464555       1.06764665 
O       9.12249936       0.60719253     -10.43630409       0.76152522      -0.27372317       0.21979642 
O       3.97548283       6.59397570      -5.14277617      -0.19031891      -0.32726896      -0.35135292 
O       3.89033238       5.62015669     -10.38293466       0.19410071       0.42255358       0.08455009 
O       9.16124986       6.59546986      -5.09756853      -0.59932143      -0.09613585      -0.37605201 
O       9.14385277       5.51555501     -10.35843753      -0.82405553       1.02958832      -0.91785991 
O       3.76215469       1.90010188      -2.42322714       0.21771285      -0.18012725      -0.66978799 
O       3.90304948       0.94124925      -7.66686500       0.20533339       0.44909921      -0.36596123 
O       8.98138347       1.85139912      -2.56917803       0.90670390       0.08092411      -0.27122352 
O       9.13291678       1.05775885      -7.77608431      -0.58045508      -0.91796374      -0.01024000 
O       3.79748554       6.90056792      -2.50884156       0.04605257       1.46587629      -0.17515324 
O       3.79062057       6.18722203      -7.69964688       0.58055229      -0.36196363      -0.77893016 
O       9.04161310       6.99773600      -2.49325460      -0.02983542       0.48676154      -0.15150247 
O       8.95380690       6.23734058      -7.81018927       0.58616853      -0.36731686       0.65932989 
O       1.33058211       2.84906138      -0.23119516      -0.82217735      -0.37517548       0.49160589 
O       1.23814558       1.88680610      -5.17037076       0.48516603       0.18186238      -1.45128873 
O       6.49279196       2.81115753      -0.04874991      -0.53788547       0.29095603      -1.30499425 
O       6.55542456       1.84141356      -5.35306015      -0.96254274       0.42343946      -0.18729034 
O       1.24350136       6.14127295     -10.46535911      -0.01481325       0.42188868      -1.19192293 
O       1.27638914       7.01191700      -5.29248795       0.14358905       0.15464632      -0.63526050 
O       6.41398947       7.89757143      -0.04500509       0.32592037       0.87489551      -1.08079148 
O       6.48248947       7.09860160      -5.35518001       0.12770871      -0.11118355       0.23163316 
O       3.33443477       4.65613143      -0.81427616       0.58909774      -0.06994637       0.00684066 
O       3.39314160       3.62755831      -6.20112562      -0.38550137       0.72022252       0.96169085 
O       8.53965732       4.59167138      -0.92011240       0.20630893       0.25053098       0.32036154 
O       8.67600064       3.83375848      -6.00534168       0.42205161      -0.48223243       0.03389211 
O       3.37560849       9.72408283      -0.75486952       0.89028937      -0.01183332      -1.52897374 
O       3.52907648       8.98565654      -6.00756875       0.69677705      -0.85389090      -0.27471759 
O       8.69403009       9.76234770      -0.80277655      -0.77752917       0.09775073      -0.27457400 
O       8.81304302       8.97596246      -6.01624276      -0.32780486      -0.24196139       0.20893377 
O       0.73652915       0.19164913      -1.70222379       0.41061247      -0.53439646      -0.40758598 
O       1.04021649      -0.97722752      -7.15004836      -0.58759397       0.58209321       0.16472280 
O       5.99918988       0.08371297      -1.67126964      -0.49577005      -0.51356167      -0.77281544 
O       6.24200962      -0.90243215      -7.12649933      -0.39749390       0.16823898       0.37878121 
O       0.82599946       5.21057350      -1.78951547      -0.07531731      -0.08393859       0.00646011 
O       0.78253966       4.29225578      -7.11880881       0.83543500       0.15905680       1.06544348 
O       5.77324471       5.27370130      -1.84611457       2.57026254       0.59187856       1.08825159 
O       6.12806320       4.26150928      -7.05130149      -0.63556346      -0.16404566      -0.56006496 
O       1.79070355      -0.46258756      -4.40524942      -0.67665898       1.05591146       0.16135009 
O       1.68685816      -1.34094653      -9.70974594       0.13669737       0.19237238       0.13960314 
O       7.00393369      -0.35096144      -4.30488262       0.06256115      -0.31960546      -0.42618467 
O       6.96842600      -1.26995768      -9.73098505      -0.11385906      -0.17444062       0.12141173 
O       1.62947911       4.66108681      -4.50649679       0.42461685      -0.36645080       0.41793690 
O       1.60828623       3.73349531      -9.60062323       0.02615452       0.94403336      -0.97161351 
O       6.80938519       4.63655941      -4.43498980       0.36378528       0.60081038      -0.17621159 
O       6.78242694       3.78819615      -9.81654560       0.62084860      -0.30376765       0.41670405 
O       4.32181941       4.13521356      -3.40374562      -0.59415439       0.09339069      -1.05554578 
O       4.25184109       3.36541524      -8.69293050       0.74524819      -0.18216253       0.44081230 
O       9.42084079       4.22744497      -3.36510599       0.07709358      -0.27136200      -0.48014397 
O       9.40604324       3.37644707      -8.60033015       0.25308596       0.15563055      -0.26796922 
O       4.41622605       9.33326502      -3.43054017      -0.94662335      -1.30147338       0.51372270 
O       4.37922434       8.47485121      -8.73181900      -0.19074656      -0.16603461       0.35382563 
O       9.63876444       9.31008814      -3.44424774      -0.78354405      -0.29601226       0.46938634 
O       9.50742592       8.50434043      -8.74818521       0.12054122      -0.23936119       0.52864596 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0011567184016669932 0.0004732713548281481 -0.0007276072218666593 0.0004732713548281481 -9.56812863262572e-05 -0.002194290875524427 -0.0007276072218666593 -0.002194290875524427 0.0028074326023769178" pbc="T T T" energy=-961.85057117 free_energy=-961.85057117 config_type=crystal 
Hf       2.86140828       3.00781315      -4.19369718       0.56613352       0.54695945      -0.04291811 
Hf       2.79668121       2.05213455      -9.48070508      -0.14960394       0.97916355       1.59250562 
Hf       8.08810404       2.99115840      -4.14514079      -0.92129904      -0.12569267       0.38353082 
Hf       7.99747303       2.09575788      -9.48771527       0.46772187      -0.64315094       0.57928114 
Hf       2.76083375       8.19060202      -4.13414017       1.47056597      -0.37326514      -1.07323865 
Hf       2.77605065       7.31383668      -9.40755926       0.56083860      -0.55248670       0.70096978 
Hf       8.04449888       8.19876925      -4.10241801      -0.46527234      -0.42149263      -0.95359328 
Hf       7.97003912       7.21132980      -9.44795921       0.18373193       0.81033268       0.92600473 
Hf       0.29288818       0.79367234      -3.66431963      -0.80296070       0.34371176      -0.24528527 
Hf       0.15818424      -0.08261679      -8.98417021       0.43687755      -0.42746011       1.26195907 
Hf       5.46161430       0.82644020      -3.68836513       0.12266965       0.17968964      -0.17065445 
Hf       5.40148161      -0.09947965      -8.90594306       0.01149038      -0.81989827      -1.10529255 
Hf       0.27367954       5.95438654      -3.70603720      -1.16784805      -1.26978508      -0.43854205 
Hf       0.22171362       4.97584298      -9.03206506      -0.21657201       0.00560881       0.98053534 
Hf       5.38183855       5.97583386      -3.74193093       0.44084382      -0.21762384       0.49157404 
Hf       5.41524138       4.97305689      -8.96853421      -0.88305389       0.97580197       0.05230606 
Hf       2.41805636       1.23716105      -1.11251314      -0.55520466      -0.17692926       0.30025833 
Hf       2.39139705       0.36507430      -6.28485025       0.33500923      -0.09054031      -1.05065898 
Hf       7.64677293       1.26847253      -1.06494969      -1.13259633      -0.45107718      -0.36341167 
Hf       7.55407851       0.29029987      -6.32504250       0.67432018       0.73214506       0.08361442 
Hf       2.43684669       6.43657396      -1.11749830      -0.19182870      -0.62170137       1.19449483 
Hf       2.33197495       5.46801556      -6.35676802       1.12904937       0.45784426      -0.69725077 
Hf       7.48830431       6.33046604      -1.04731491       0.91898662      -0.16727848      -0.75032972 
Hf       7.49675733       5.51246705      -6.28771449       1.32242469      -0.41453507      -0.39596348 
Hf       4.91746209       3.48371586      -1.54496294       1.18567916      -0.38468415       0.38002888 
Hf       5.02193702       2.57243026      -6.84563976      -0.65859383      -1.08873009       1.09878948 
Hf      10.25027123       3.41922929      -1.53883858      -0.51833867       0.74184932      -0.73574142 
Hf      10.12411310       2.55607106      -6.70653988       0.35470405      -0.08537088      -1.55667406 
Hf       4.97560316       8.65994066      -1.56654437       0.05864287       0.03455911       0.93961931 
Hf       4.97294626       7.69938511      -6.81664397      -0.81451927       0.07091537       0.00132876 
Hf      10.12794442       8.54666778      -1.55582348       0.16158845       0.65610394       1.25037397 
Hf      10.18119229       7.70046632      -6.81846719      -0.61951899       0.48721399       0.01351519 
O       1.34543275       1.57973452      -7.95337546      -0.30679768      -0.42619600      -0.21023991 
O       6.59386865       2.38701177      -2.69919491       0.04420616      -0.16999606       0.05232225 
O       6.50165145       1.42126142      -8.05912380       0.40164968       0.69060379       1.13935175 
O       1.30135245       7.49229133      -2.78852559       0.49794702       0.42038779       0.68365641 
O       1.31411090       6.67117689      -8.02383596      -0.29757491      -0.68533548       0.27224969 
O       6.59344909       7.56686077      -2.69956526      -0.57809572      -0.73602837       0.28211192 
O       6.50270150       6.57853807      -7.99265878      -0.13231095      -0.10358045       0.58588027 
O       3.96136252       1.45523584      -5.14581924       0.00220102       0.02261327       0.17888640 
O       3.86100131       0.51102635     -10.36339570       1.01566583      -0.07349375      -0.61017360 
O       9.09086434       1.26083746      -5.08614536       0.75009371       1.21218619      -0.95538586 
O       9.15833009       0.49417971     -10.46595628       0.05346819       0.17176911       0.22518349 
O       3.93579003       6.70734376      -5.14708257       0.15661134      -0.76921654       0.19164013 
O       3.94378941       5.64908501     -10.38780263      -0.46477236       0.22562621      -0.23155096 
O       9.12282260       6.67281779      -5.15099508       0.47113176      -0.80437200       0.47327993 
O       9.13232214       5.67519140     -10.41059331      -0.56566824      -0.10611542      -0.18905532 
O       3.90188016       1.94771520      -2.56094410      -1.16643845      -0.48474414       0.37492715 
O       3.85798927       0.93835083      -7.74317223      -0.16103157       0.23085078      -0.15072087 
O       9.14894890       1.84981464      -2.57162571      -0.25205268       0.08494685       0.80988506 
O       9.00261001       0.95249726      -7.91510040       0.00378289       0.36980599       1.64773130 
O       3.89674049       7.02738436      -2.49131976      -0.21440279       0.24271733      -0.51803223 
O       3.87657553       6.07991160      -7.81465947      -0.47017758       0.16789918       0.65037573 
O       9.09861228       6.87820418      -2.44294230      -0.13126604       0.63850178      -0.44505472 
O       8.96219031       6.04619875      -7.79917846       0.45190262       0.46158937       0.42221078 
O       1.24177304       2.77486112      -0.11627361       0.39532436       0.24487552      -0.39136059 
O       1.28020311       1.94984740      -5.26268466      -0.50508820       0.30586823      -0.05625027 
O       6.50993688       2.73956451      -0.08208843      -1.00256941       0.53057915      -0.34750620 
O       6.50998769       1.95426884      -5.28244445      -0.43671267      -0.27107318      -1.05820138 
O       1.23150805       7.93470619      -0.09423109       0.23046291       0.10168229      -0.72962467 
O       1.27453229       7.14120603      -5.41715121       0.07043911      -0.52417915       0.61431646 
O       6.35225273       7.97244003      -0.03722541       1.22076279      -0.72326730      -0.75255444 
O       6.42776524       7.05445546      -5.36489389       0.04049494      -0.10117282       0.18831135 
O       3.49969033       4.68573501      -0.80969738      -0.21069528      -0.34248125       0.04983504 
O       3.65181547       3.84650866      -5.99184602      -1.15891249      -0.00545739      -0.33718525 
O       8.71889729       4.60425105      -0.87516107      -0.62706779       0.45546998       0.33921986 
O       8.72130067       3.79160141      -5.98472620      -0.39314056      -0.16073840      -0.14279723 
O       3.39946534       9.79079691      -0.74141008       0.77189646      -0.21617593      -1.15753692 
O       3.40509303       8.91612095      -6.15305299       0.37312377      -0.21850873       0.80777227 
O       8.73684455       9.87158040      -0.74520709       0.34795946      -1.05348499      -0.11181803 
O       8.64414847       8.90326858      -6.05981903       0.20083083       0.00023036       0.41654439 
O       0.92730526       0.06356773      -1.86007856      -0.09851796      -0.50916591       0.88909751 
O       0.90325713      -0.75609166      -7.00762714      -1.32463394      -0.73467364      -0.31857697 
O       6.10453667       0.05033204      -1.80808922      -0.16082292       0.00447869      -0.08911789 
O       6.10242058      -0.87167880      -7.00554908      -0.86638344      -0.37277571      -0.61163399 
O       1.01814657       5.13681904      -1.79629969      -0.71390914      -0.14877956      -0.94910629 
O       0.81552812       4.33299102      -7.05216537       0.19035976      -0.44670013      -0.09410625 
O       5.99270208       5.13488886      -1.67749460       0.80155934       1.51594957      -0.88619104 
O       6.10166915       4.20833705      -7.04611945       0.87613848       1.16505889      -0.27543375 
O       1.78195897      -0.39603267      -4.30283406      -0.14644601       0.52714187      -0.99994495 
O       1.68352256      -1.24410703      -9.59422921       0.50026275      -0.51595462      -0.81425821 
O       6.88564860      -0.39320593      -4.39851959       0.48836286      -0.60238775      -0.40123029 
O       6.79948843      -1.38734677      -9.71977421       0.76533313       0.15236758       0.04119660 
O       1.78307821       4.81883429      -4.51715121      -0.22719280      -0.67461370       0.93695330 
O       1.75647636       3.80489150      -9.73562389      -0.58749866       0.41965442       0.28654880 
O       6.95423805       4.76012597      -4.26681695       0.08862778       0.36393003      -1.00063437 
O       6.89492641       3.75082555      -9.70773507      -0.13612684       0.90551455      -0.06017467 
O       4.35267599       4.25671510      -3.45147645      -0.45752602      -0.26567680       0.28984054 
O       4.34425424       3.25285233      -8.69974780      -0.32505628      -0.14398003      -0.11044277 
O       9.63870117       4.08813793      -3.49120447       0.98756586       1.23248599       0.42341450 
O       9.44119330       3.30978253      -8.67730238       0.60964662       0.11005921       0.22554945 
O       4.32794615       9.37192435      -3.40961629      -0.32349916      -0.04833813      -0.16833174 
O       4.34208433       8.43694241      -8.70028039      -0.34256354      -0.07283216       0.30826866 
O       9.45070478       9.33025187      -3.30662823       0.44384201       0.39428221      -0.56795042 
O       9.45532046       8.43798595      -8.60492027       0.15102703       0.48397886      -0.72766535 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0007578068074628094 0.0011900605871080253 0.0011998093562494705 0.0011900605871080253 -0.0022999415496152025 -0.002617828587403639 0.0011998093562494705 -0.002617828587403639 -0.0056352102089043295" pbc="T T T" energy=-961.61229122 free_energy=-961.61229122 config_type=crystal 
Hf       2.78826018       2.99525255      -4.21656293       0.21773666       0.82878968      -0.00995044 
Hf       2.78446357       2.11349048      -9.37060371       0.85043470       0.69865194      -0.40020881 
Hf       7.95732680       2.96887954      -4.23256709       1.23016651       0.47047796       0.11426195 
Hf       8.06185607       2.10984676      -9.47805987      -0.08822427       0.17322246       1.52004778 
Hf       2.79693078       8.13967172      -4.19571717      -0.22238392      -0.42809665       0.36506535 
Hf       2.83948538       7.34177605      -9.35720003       0.61401958      -1.65174950       0.07341829 
Hf       7.99413639       8.18277075      -4.10009307      -0.16715493       0.33162882      -1.07024691 
Hf       7.99891582       7.24502304      -9.38871638       0.48442367       0.74167926      -0.65275268 
Hf       0.25704821       0.79250131      -3.68985286      -0.64885657      -0.23112095      -0.68402014 
Hf       0.27536599      -0.10850501      -8.97452018      -2.02291334      -0.25288308       0.36368925 
Hf       5.40947653       0.80538495      -3.71869450      -0.36077560      -0.09970815      -0.21661690 
Hf       5.47401772      -0.06048295      -8.98175182      -0.38517246      -0.35983579       0.11635835 
Hf       0.13364444       5.90761738      -3.69360325       1.59490257       0.04946935      -0.16365648 
Hf       0.26510058       5.07344978      -8.90034478      -0.64206284      -0.87176062      -0.89167626 
Hf       5.36770141       5.91088111      -3.75782356       0.21768974       0.30764097      -0.65795677 
Hf       5.42218002       5.01157688      -8.92620184       0.17965805      -0.06212531      -0.27972932 
Hf       2.42234392       1.13473010      -1.05913500      -0.52563361       1.43991786      -0.90317825 
Hf       2.42565468       0.34838938      -6.32552920      -0.55186584      -0.48279922      -0.74531764 
Hf       7.56462082       1.29467618      -1.15582617      -0.46776767      -0.77685405       1.08421409 
Hf       7.58506757       0.31089328      -6.35581414       0.14129728       0.21200399      -0.96550783 
Hf       2.38306756       6.40766110      -1.03830110       0.07297337       0.25213244      -0.94366803 
Hf       2.34248068       5.43970659      -6.36319606       0.47320891       0.12574218       0.93003338 
Hf       7.54388823       6.28957031      -1.14886806       0.45676381       1.60226759       1.32573290 
Hf       7.63579600       5.56700368      -6.27799987      -0.36134171      -1.12332989      -0.72331589 
Hf       4.89845460       3.57477081      -1.51213422       0.33294602      -1.11251311      -0.65433604 
Hf       5.02684124       2.51460154      -6.75902380      -0.19309300       1.66625394      -0.92772835 
Hf      10.18737545       3.45247527      -1.58213879       0.60380940      -0.26422728      -0.17606443 
Hf      10.17002729       2.55908251      -6.77539463      -0.74376381      -0.12050541      -0.75573104 
Hf       4.95584529       8.60452422      -1.58169440       0.67634752      -0.88171165       0.08658356 
Hf       4.92259250       7.66695787      -6.76588121       1.17096943       0.77462931      -0.73457182 
Hf      10.16594567       8.61009579      -1.45774665       0.01831599      -0.14700029      -0.46410406 
Hf      10.19301707       7.68509954      -6.77379224      -0.31518523       1.35390415       0.35614070 
O       1.29648979       1.48561068      -8.07146882       0.70638874      -0.17071618       0.47856491 
O       6.48690295       2.36208153      -2.82703449       0.01448604       0.17375533       0.65189449 
O       6.54731846       1.47399973      -8.01491876      -0.08441416      -0.23371544      -0.17523904 
O       1.31244907       7.47347961      -2.76262747       0.23295508       0.54951949       0.56659690 
O       1.34170264       6.70496364      -7.85447979       0.34847997      -0.66584104      -1.24874662 
O       6.44406106       7.47047553      -2.80603384       1.20458071       0.45149782       0.08968460 
O       6.53449507       6.71096835      -8.09664481      -0.44131193      -0.56030647       0.90255278 
O       4.03586841       1.42911404      -5.25410484      -0.60855470       0.00226434       0.98028622 
O       3.91206389       0.59856570     -10.46157218      -0.00475864      -0.11905441       0.43449024 
O       9.16648335       1.43589702      -5.17261621       0.10138616      -0.26558327       0.43065045 
O       9.12622459       0.56511771     -10.42213733      -0.20940629      -0.50122623      -0.21196711 
O       3.83674766       6.50741931      -5.20256136       1.13307052       0.75237480       0.79827714 
O       3.81867249       5.60881471     -10.34235777       1.44647525       0.76353886       0.38558843 
O       9.12891630       6.60653006      -5.12351064      -0.24229627       0.41560022       0.25854810 
O       9.15473878       5.66380766     -10.29854524      -0.32873208       0.14240101      -0.84073527 
O       3.70294258       1.79183466      -2.61690770       0.37581871       0.90058501       0.20084669 
O       3.88372436       0.94959223      -7.76176519      -0.52470825       0.19760787      -0.18925978 
O       9.00389477       1.76541751      -2.54360081       0.70513301       0.71125264      -0.11231869 
O       9.02625915       1.00619655      -7.76209134       0.56160294      -0.08246129      -0.35655743 
O       3.92447541       7.00023743      -2.57483637      -1.03168778       0.52777325       0.26724728 
O       3.88225871       6.18485455      -7.76846761      -0.45511962      -0.42202273      -0.30887031 
O       9.00839179       6.98593470      -2.55705132      -0.18789452      -0.04040955       1.01273611 
O       9.11742703       6.10643824      -7.71660848      -0.23165144       0.27090893       0.04958211 
O       1.15792107       2.72756074      -0.13929635       1.50593518       0.30321061      -0.40186606 
O       1.30586942       1.95247436      -5.42324774       0.46372949      -0.31067374       0.87138168 
O       6.45209723       2.93862746      -0.19650385       0.07537464      -0.82439443      -0.05084919 
O       6.56303337       2.09402708      -5.52171866       0.16839367      -1.14565107       1.06459862 
O       1.30649232       7.88631843      -0.05681426      -1.05215996       1.30976998       0.10125567 
O       1.24983903       7.01532414      -5.30045474      -0.33085859       0.44383850      -0.49139780 
O       6.42234826       7.93809468      -0.19855871       0.22428202      -0.47422985       0.32031341 
O       6.45759016       7.09869717      -5.37977301      -0.42330368      -0.14706504       0.06425247 
O       3.56459591       4.80536574      -0.77794298      -0.06572917      -1.04695182       0.73653385 
O       3.59462376       3.86231902      -6.01363032      -0.35152971      -0.94205945       0.20277765 
O       8.73733123       4.64594715      -0.87425120      -0.56663522       0.61751103       0.29081873 
O       8.81055413       3.81217650      -6.01452665      -0.61164393       0.69107147       0.06885524 
O       3.51071662       9.73654278      -0.77518647      -0.40647588       0.34653967       0.01628100 
O       3.44733779       8.87160328      -6.12269906      -0.18750664       0.08158754       0.64806535 
O       8.74230122       9.82516942      -0.70492422      -0.31462757       0.32587943      -0.90477555 
O       8.68423287       8.92908864      -6.08866204       0.14153354      -0.60422658       0.90115712 
O       0.96760131       0.00997850      -1.87616525      -0.42488560      -0.39611908       0.40003338 
O       0.90151062      -0.81409761      -7.05766149      -0.03806807      -0.20695170      -0.30438387 
O       6.02199440       0.03197222      -1.84336058       0.77838885       0.55620323      -0.01331741 
O       6.10059209      -0.90230474      -7.08240674      -0.17182064       0.41405516      -0.27525287 
O       1.04359136       5.13655054      -1.87714831      -1.54533646      -1.22076750       0.00654505 
O       1.02110084       4.16425187      -7.22585650       0.16165453       0.44696653       0.97033242 
O       6.05896213       5.22169711      -1.75542081      -0.73872988      -0.74012154      -1.11730095 
O       6.14769993       4.43914495      -6.99537758      -0.87094285      -0.82850568      -0.92247094 
O       1.70043776      -0.42100512      -4.46507471       0.29576330       0.15039762      -0.08322869 
O       1.67671972      -1.34552565      -9.71314540       0.12934020      -0.11236266       0.08248055 
O       6.89067584      -0.31132668      -4.50614450       0.48324453      -0.58138799       0.70824338 
O       6.87177278      -1.24613181      -9.76502952       0.45245128      -0.33351277      -0.13953113 
O       1.61639284       4.71521299      -4.49337652       0.61822602      -0.96587568      -0.29297471 
O       1.72017225       3.80944756      -9.69630036      -0.20653621      -0.29642192      -0.14453095 
O       6.90620102       4.71446779      -4.47251700       0.06846366       0.46488599       0.59832395 
O       6.86588719       3.73200273      -9.64895574      -0.00540782       1.24058453      -0.92472691 
O       4.30864514       4.23281771      -3.46434408      -0.46826159      -0.89251050       0.81458984 
O       4.33014006       3.29430158      -8.54351421      -0.61196115       0.19571923      -1.08670757 
O       9.52945095       4.12741252      -3.47504459      -0.12801276       0.11767011       0.63144648 
O       9.47319873       3.34526745      -8.62631080       0.17916882       0.19167657      -0.58354153 
O       4.36086074       9.38399144      -3.53377038      -0.89842872      -0.95998478       0.42120581 
O       4.28927555       8.55280001      -8.70354586      -0.11940717      -0.38022257       0.22506132 
O       9.48145132       9.29870691      -3.33081066       0.08911433       0.69239689      -0.20575664 
O       9.45492667       8.47246818      -8.66888479       0.54575391       0.03932318       0.41170401 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00014535427428950785 -0.00013755507797258703 0.0021229133266853373 -0.00013755507797258703 -0.009696365199888455 8.199512980934892e-05 0.0021229133266853373 8.199512980934892e-05 -0.0046675004758626425" pbc="T T T" energy=-962.19870667 free_energy=-962.19870667 config_type=crystal 
Hf       2.82009854       3.05606604      -4.14433991       0.44043259      -1.60537417      -0.13231057 
Hf       2.78866644       2.10552352      -9.40049772       0.26359857       0.16476736       1.10619215 
Hf       8.04010150       3.05758153      -4.15828952      -0.65276265      -1.10538131      -0.80639203 
Hf       7.98956778       2.11478557      -9.32422662      -1.17830831       0.38517766      -1.14291531 
Hf       2.79035736       8.15587794      -4.18998532       0.20772501       0.42843184       0.41518803 
Hf       2.79467307       7.31756092      -9.43185394      -0.30024087      -0.94945643      -0.59136146 
Hf       7.99584300       8.16791298      -4.16269210       0.60128654      -1.01876540       0.41736964 
Hf       8.02161363       7.21335511      -9.40325077      -0.05466049       0.40227089      -0.45975481 
Hf       0.25620192       0.84415506      -3.71971463      -0.14953893      -0.75346714      -0.61963694 
Hf       0.16282351      -0.09484829      -8.95295701       1.07060403       0.32128218       0.12886440 
Hf       5.47265867       0.81610787      -3.69937321      -0.46433098      -0.40516603      -0.68351640 
Hf       5.35942554      -0.17614393      -8.95791245       0.52411966       0.60452428      -0.04982190 
Hf       0.22687126       5.88663238      -3.76301558      -0.51947608       0.66863627       0.28913103 
Hf       0.29569346       5.05795903      -9.01634569      -0.78557796      -0.40809829       0.79941033 
Hf       5.43302936       5.89257375      -3.73470295       0.04715439       0.69481692       0.25209861 
Hf       5.36190363       4.98407436      -8.87927704      -0.02465656       0.26315150      -1.31469338 
Hf       2.37938514       1.25188861      -1.14645030       0.35907593      -0.33702279       0.89820348 
Hf       2.38168420       0.28033295      -6.36613790       0.19733524       1.10187183       0.51002446 
Hf       7.65687251       1.23470215      -1.04395188      -1.07760515      -0.07008590      -0.36096942 
Hf       7.51210131       0.26827806      -6.35816575       0.19485272       0.08098742      -0.00827613 
Hf       2.42291642       6.29638561      -1.13561265      -0.75673771       1.82940514       0.96016863 
Hf       2.46457590       5.47119375      -6.29556704      -2.00598699      -0.15942201      -0.71216062 
Hf       7.55959150       6.41108821      -1.07358779      -0.28196357       0.50668406       0.25747587 
Hf       7.58546604       5.50223790      -6.33524203       0.19823773      -0.69035674      -0.79352582 
Hf       4.95246907       3.52441593      -1.49880363       1.42254699      -0.35229356      -0.27661695 
Hf       4.94058403       2.56903623      -6.74680868       0.44292090      -0.69363729       0.07572319 
Hf      10.12706269       3.52648174      -1.46767002      -0.15648369      -0.18712458      -0.00161029 
Hf      10.14612556       2.54677660      -6.79249872       1.11261509       0.86815783       0.20183638 
Hf       5.01395541       8.59901279      -1.62841140      -0.68094697       0.49689405       1.60958127 
Hf       4.96404708       7.65501629      -6.82595379       0.36843964      -0.45614389       0.88112531 
Hf      10.22585341       8.67393994      -1.55987114      -1.09748192      -1.79353008       0.06535273 
Hf      10.19391032       7.72768959      -6.79893306      -0.61846668      -0.76231635      -0.16613569 
O       1.33533557       1.54672537      -7.96918703       0.05861867      -0.95338712      -0.10997188 
O       6.52251766       2.39108331      -2.82629892       0.53012285       0.02252934       0.56395189 
O       6.44275937       1.38961663      -7.96540010       0.81720749       0.08849746      -0.62003994 
O       1.24433705       7.48523757      -2.65806600       1.07263003      -0.33103274      -1.40762334 
O       1.34739112       6.64374288      -8.05604535      -0.25996762       0.26541940       0.60089569 
O       6.44885161       7.57555495      -2.71776676       0.67974830      -0.59050050      -1.08981294 
O       6.51842575       6.56079635      -8.01481102      -0.05064565       0.18243507       0.43227795 
O       3.89461433       1.45754178      -5.13930720       0.54833321      -0.06242431       0.51900176 
O       3.88394318       0.56298472     -10.35190564       0.36447340      -0.18189395      -0.24602547 
O       9.16390240       1.43059216      -5.08884233      -0.42040867       0.18609588      -0.03767335 
O       9.12743444       0.54126446     -10.33655085      -0.31121795       0.54139757      -0.01245248 
O       3.95835900       6.67121006      -5.17482343      -0.10687765      -0.93759877       0.80425633 
O       3.84616127       5.69794596     -10.36008518       0.62295141      -0.16560476      -0.17243593 
O       9.14803798       6.47720889      -5.20443288      -0.18213710       0.34077263       0.57523393 
O       9.12045601       5.66376388     -10.36134336      -0.13063824       0.20421351      -0.23846110 
O       3.89777599       2.00510100      -2.52550147      -0.77225520      -0.48443942       0.52866324 
O       3.88828612       0.95369602      -7.67669323      -0.44017129      -0.17691554      -0.97274933 
O       9.13903811       1.85913170      -2.42480044      -0.00542440       0.49414621      -0.37575636 
O       9.04109473       1.00435376      -7.69560080      -0.42872211      -0.36360346      -0.27318027 
O       3.85539668       7.07935726      -2.52238385      -0.59402471      -0.49574562      -0.37532826 
O       3.80330213       6.01438755      -7.71800085       0.88195747       0.82383018      -0.37746737 
O       8.97897365       6.97275140      -2.48946305       0.43492257       0.31653868      -0.72118243 
O       9.03034607       6.19522677      -7.84756715       0.21984556      -0.34243149       0.75681097 
O       1.25837725       2.89450708      -0.06664973      -0.19536431      -0.42287057      -1.28074100 
O       1.26806246       1.96483274      -5.40073081       0.01366489      -0.43193934       0.93738262 
O       6.47755511       2.82578227      -0.17260074      -0.39690328      -0.27047991       0.28733376 
O       6.48246442       1.82346264      -5.42018115      -0.26151742       0.22799714       0.58405125 
O       1.20151595       7.93240050      -0.08804846       0.70080115       0.01710275      -0.63199861 
O       1.22236137       6.99533788      -5.37764591       0.76000423       0.29694343       0.52785721 
O       6.48684445       7.99838939      -0.15207882      -0.22622471       0.07008947       0.50452943 
O       6.48365630       6.95315881      -5.35416954      -0.27046278       0.73531750      -0.05303011 
O       3.61151443       4.76104618      -0.70813908      -0.25429741      -0.56052978      -0.06581769 
O       3.53288088       3.81660361      -5.98290823       0.10699732      -0.18167296       0.20356354 
O       8.59644402       4.71486789      -0.79696552       1.02380218      -1.40787748       0.15375428 
O       8.71979200       3.75089827      -6.06699902      -0.66713307       0.47797744       0.19049336 
O       3.54812864       9.84328899      -0.74861275      -0.35449565       0.69685821      -0.53819026 
O       3.47702390       8.84408433      -6.12822478      -0.66549723       0.52896483       0.58983683 
O       8.79731284       9.86820139      -0.80322912      -0.72500355      -0.16136209       0.84756705 
O       8.61906339       8.82797901      -6.02072074       0.56700483       0.06879294      -0.88290181 
O       0.90398507       0.01435032      -1.80012033       0.81890642       1.17272314      -0.82097946 
O       0.88380119      -0.86308211      -7.04358493      -0.22064314       0.21304860      -0.60370388 
O       6.19922976      -0.00840062      -1.87107687      -0.12523727       0.59627696      -0.22979372 
O       6.00715435      -0.92703249      -7.05493879       0.53589400       0.35584633      -0.19106169 
O       0.94739967       5.07424817      -1.93069573       0.31935197       0.17356863       0.70221033 
O       0.89406805       4.34856737      -7.06041201      -0.14371080      -0.35450931      -0.31926852 
O       6.09126930       5.23301787      -1.83503078      -0.35771352      -0.54347082      -0.67610781 
O       6.11987866       4.21426939      -7.06334062       0.08575725       0.36538924      -0.24371127 
O       1.66263558      -0.48453456      -4.53532184      -0.26043686       0.61745075       0.59566149 
O       1.61409617      -1.28846796      -9.76463470       0.49574386       0.04713234       0.09632434 
O       6.88265048      -0.51507180      -4.52476182      -1.04733278       1.07860135       0.69440430 
O       6.92473055      -1.28377309      -9.63924354       0.17858640      -0.20222577      -0.38553793 
O       1.69994827       4.65132577      -4.40771516      -0.43455782       1.13875430      -0.34092850 
O       1.72632247       3.79442803      -9.70451087      -0.22118609       0.40805076      -0.68664639 
O       6.74353534       4.60639998      -4.56989008       0.92585463      -0.09073399       0.50526160 
O       6.73599552       3.77564000      -9.71119565       0.95843849      -0.29426317       0.05995079 
O       4.24670205       4.31215446      -3.40368965      -0.08033333      -0.17190008       0.51761137 
O       4.23270767       3.34756286      -8.56017035      -0.48437285      -0.73358913      -0.16686963 
O       9.49211416       4.18476093      -3.46445181       0.30836873       0.30915372       0.77343414 
O       9.51772707       3.24980800      -8.79062679       0.46922043       0.68559567       0.87698211 
O       4.19128936       9.47174693      -3.40275573       0.31103580      -0.29017698      -0.11164917 
O       4.31041939       8.36364212      -8.63261241      -0.08203915       0.64476348      -0.60801759 
O       9.50138708       9.33292102      -3.51030892       0.56913783       0.36556643       0.90231323 
O       9.51709128       8.53162350      -8.64086052      -0.81437059      -0.72771500      -0.16902338 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002695760332492801 -0.002250514364764347 -9.463165797806655e-05 -0.002250514364764347 -0.0047307192300780326 0.0016805935719218805 -9.463165797806655e-05 0.0016805935719218805 -0.0069226241327013625" pbc="T T T" energy=-961.34070528 free_energy=-961.34070528 config_type=crystal 
Hf       2.91267742       3.00441289      -4.11968401      -0.31302223      -0.11100022      -0.66959731 
Hf       2.71718007       2.06476510      -9.40353586       0.49155672       0.72162625      -0.20967544 
Hf       8.10383141       2.98424539      -4.19667861      -1.29625597      -0.27529035       0.43183556 
Hf       8.04536179       2.15463006      -9.40119654      -0.49364813      -1.46847322      -0.76406239 
Hf       2.76432926       8.19243856      -4.06310623       0.81572843      -0.34752681      -1.41866895 
Hf       2.83849820       7.26282227      -9.44103366      -0.21796532       0.32331953       0.65552158 
Hf       8.05719800       8.16335979      -4.21248031      -0.38989482      -0.27667691       0.76683995 
Hf       8.03564811       7.24363767      -9.45735472      -1.05741692       1.14502341       1.51337935 
Hf       0.30621093       0.82395112      -3.76056632      -0.69196886       0.30731306       0.24540437 
Hf       0.12342122      -0.13112879      -8.89893959       0.62460235      -1.53234807      -0.43533625 
Hf       5.47137183       0.76428818      -3.69038975       0.55179760       0.73749097      -0.93394539 
Hf       5.31891171      -0.01307520      -8.91127001       1.72192566      -1.95552039      -0.28684461 
Hf       0.21368514       5.87878343      -3.68913976       0.16620772       0.64835920       0.56164936 
Hf       0.21505438       5.03756202      -8.96056910       0.76509450       0.99372549       0.07174392 
Hf       5.49215107       5.86743161      -3.80119644      -1.00341081       0.92689997       1.24427627 
Hf       5.44646692       4.99124845      -8.98715669      -1.33352721       1.26772399      -0.19966706 
Hf       2.36318584       1.20102119      -1.08676560      -0.40520192       0.14716477      -0.29358796 
Hf       2.34223090       0.41309033      -6.28191439       1.41860337      -1.46533173      -0.83464834 
Hf       7.52044295       1.27813152      -1.08490438       1.41228026       0.08512532       1.12057190 
Hf       7.53893144       0.29671877      -6.38862963       0.69658535       0.13568538       0.17624580 
Hf       2.40713783       6.38445450      -1.13577803      -0.72824944       0.33715998       1.30811138 
Hf       2.39321317       5.49949274      -6.27094138       0.49722404      -0.74839754      -0.79275373 
Hf       7.47987892       6.28584596      -1.07807112       0.58082333       1.25911090      -0.85509312 
Hf       7.57601284       5.55392417      -6.35499919       0.25870141      -0.11485950      -0.31955242 
Hf       4.94501154       3.46839439      -1.48133832       0.28661277      -0.25737757      -0.66005488 
Hf       5.05593874       2.59347417      -6.85544689      -1.22857979      -0.08222244       1.46698176 
Hf      10.20641899       3.45961319      -1.57943499      -0.35128030      -0.25329837       0.95800948 
Hf      10.10249131       2.62049199      -6.79947132       0.92358426      -0.02155894       0.35421702 
Hf       4.99022595       8.62671883      -1.61748974       0.22650803      -0.71224441       1.43800592 
Hf       4.95366312       7.63972618      -6.75268375      -0.82302717       1.45776660      -0.70910208 
Hf      10.06073531       8.66868104      -1.56812628       1.17860398      -1.15283341       0.38223414 
Hf      10.24590159       7.63528931      -6.72922587      -0.09821373       1.07566309      -0.72760949 
O       1.26996233       1.40148578      -7.94095200      -0.08196182       0.85642326      -0.68370484 
O       6.54446383       2.41487463      -2.70234393       0.30779062      -0.37433267      -0.34265759 
O       6.48573363       1.52512512      -8.02966473       0.04566024       0.03776731       0.43972761 
O       1.23651981       7.47520689      -2.66868556       0.88895719       0.43436895      -0.56990568 
O       1.40151115       6.63211438      -7.94657927      -0.36763978      -0.08377660       0.21856820 
O       6.55256941       7.42788768      -2.79448257      -0.33770444       0.55065773      -0.01274087 
O       6.53165406       6.67725180      -8.03226950      -0.11895054      -0.82288616       0.15149408 
O       4.06142407       1.39056335      -5.08811033      -0.38461584       0.49793914      -0.10460014 
O       3.98847101       0.49812880     -10.36276524      -1.27519058       1.04167034      -0.26331710 
O       9.19403384       1.40153906      -5.26797937       0.08840086       0.75270178       0.83359890 
O       9.16172480       0.55487484     -10.37109284       0.08316201       0.17523095      -0.02422917 
O       3.93848828       6.50627037      -5.05012090      -0.06953115       0.29495907      -0.69061992 
O       3.92705148       5.67612293     -10.42624905      -0.33366948      -0.02949777       0.27658142 
O       9.13021717       6.56689199      -5.11433786       0.22547015      -0.27889146       0.15755769 
O       9.05012316       5.71072024     -10.32192500       0.17977707      -1.02857255      -0.47387566 
O       3.78571240       1.91310547      -2.47215945       0.58849404       0.00719958      -0.24042934 
O       3.83246467       0.95483233      -7.66975140       0.15100459       0.73587557      -0.71431280 
O       9.19122358       1.88654118      -2.56326956      -0.99288397      -0.39009170      -0.07486077 
O       8.94020995       0.98007292      -7.79671439       1.15441956       0.43529196      -0.26627884 
O       3.85335509       7.12450560      -2.50583125      -0.94619642      -0.58585578      -0.15854394 
O       3.85246506       6.08669547      -7.78603383       0.53452125       0.39103764       0.30869819 
O       8.95780093       6.98711713      -2.39963222       0.96970926       0.54642054      -0.90042293 
O       9.10275603       6.13112681      -7.72559939      -0.37228807      -0.57507982       0.24809674 
O       1.27001615       2.82569619      -0.23504677       0.62576545       0.04393029       0.86710834 
O       1.33507675       1.93890415      -5.31292240      -0.83119453       0.79116787      -0.12623456 
O       6.45496266       2.73304572      -0.09781967      -0.57304884       1.78969935      -0.31955387 
O       6.55499627       1.98556725      -5.36181218      -0.22739910      -0.51797338      -0.36479276 
O       1.16449751       6.12916546     -10.48960895       0.76079206       0.36510470      -1.38748115 
O       1.27588261       7.02406188      -5.27969540      -0.10226133       0.14117441       0.27932028 
O       6.38101493       7.98971639      -0.17927313       0.88263316      -0.76526486       0.58514833 
O       6.47069378       7.06933017      -5.39727769      -0.04538966       0.00266245      -0.19127118 
O       3.39406072       4.64265479      -0.92412614       0.14296814      -0.51955648       0.81465504 
O       3.44551793       3.72464888      -6.09707553       0.47108209      -0.16506570       0.31536205 
O       8.60059744       4.57926370      -0.84098345      -0.01004617       0.22593527       0.22764843 
O       8.65601502       3.84517723      -5.96678700       1.16460877      -0.61971285      -1.08877966 
O       3.57192605       9.85699272      -0.78365813      -0.26521610      -0.48292766      -0.07218366 
O       3.37544724       8.77124702      -6.01124165       0.80391096       0.24959482       0.24569890 
O       8.78710646       9.84917595      -0.65717239      -0.64172684       1.24074921      -1.36218888 
O       8.81285122       8.90041811      -5.99899881      -0.34237456       0.33599156      -0.64776847 
O       0.94360306       0.02597672      -1.94263490      -0.01024226      -0.39649756       0.52727188 
O       1.02258333      -0.88726176      -7.03119791      -1.54967376      -0.55647348      -0.52595388 
O       6.13548364       0.03913196      -1.76971336      -0.20321369      -0.16020346      -1.06669617 
O       6.15806404      -0.92173622      -7.05180237      -1.13447404      -0.23256066      -0.52594780 
O       0.81796132       5.21463143      -1.73351669       0.06794557      -0.12380895      -0.52268544 
O       0.92306747       4.29719709      -7.12010374      -0.49425433      -0.48442142       0.95429100 
O       5.95953262       5.20210655      -1.82587532       0.43065368      -0.12055815       0.42133491 
O       6.09967016       4.31327107      -7.10012806       0.19498544       0.16272679      -0.11249657 
O       1.80609511      -0.31687566      -4.44406829      -0.02155258      -1.05048819       0.97106590 
O       1.61490651      -1.32048642      -9.78118247      -0.04157611      -0.07812361       0.51291662 
O       6.96045665      -0.42438500      -4.59346064      -1.00239969       0.28707963       1.96212042 
O       6.96790545      -1.16680029      -9.68532252      -0.29805194      -1.18613993       0.23026492 
O       1.74500651       4.70884787      -4.35769678      -0.09985835       0.02429194      -0.16916906 
O       1.73785196       3.78839991      -9.62959109      -0.20954965       0.10433390      -0.52245017 
O       6.91159130       4.74659320      -4.49257155       0.94976024      -0.84849839       0.01137974 
O       6.85735791       3.77286665      -9.71221032       0.12952906       0.27500992       0.01966202 
O       4.39120320       4.19328658      -3.45855889      -0.29986897      -0.51567830       0.15827027 
O       4.29167862       3.29841191      -8.70957257       0.11497157      -0.41755662      -0.21050336 
O       9.53616111       4.19656249      -3.42627652      -0.08793632       0.18120082      -0.25602096 
O       9.45690425       3.38254225      -8.62732201      -0.37017504      -0.67437446      -0.10363337 
O       4.42543123       9.34936310      -3.46830647      -0.69882101       0.06717611      -0.25769362 
O       4.20965296       8.59318249      -8.60635118      -0.09439126      -1.26282354       0.06945619 
O       9.49147578       9.36126056      -3.47156554       0.21202643       0.03137212       0.90050242 
O       9.49588500       8.36483318      -8.59725600       0.71330292       1.37722924       0.13455697 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004319813614896059 -0.0005904378441920153 0.00015248960497127236 -0.0005904378441920153 -0.0048037810813622885 0.003773181652707836 0.00015248960497127236 0.003773181652707836 -0.005580101721579185" pbc="T T T" energy=-961.6827568 free_energy=-961.6827568 config_type=crystal 
Hf       2.84752425       2.92943742      -4.17276478      -0.27254247       0.97958269      -0.83590995 
Hf       2.85193607       2.18678726      -9.42805556       0.17134628      -0.10529191      -0.06281833 
Hf       8.01089188       2.97385636      -4.21070035       0.47930090       0.49396254       0.26322691 
Hf       7.98095412       2.14606038      -9.35256896       0.84988964      -0.49864318      -0.68205737 
Hf       2.83005463       8.20940157      -4.13367352       0.26205380      -0.59201467       0.40568631 
Hf       2.77818077       7.24461893      -9.32964534      -0.35230965      -0.01263127      -0.72235761 
Hf       8.02893796       8.19566110      -4.19123521      -0.64505472      -0.11469944       1.38365250 
Hf       7.94370917       7.31122660      -9.39027824       0.46396955      -0.09075155      -0.69879628 
Hf       0.21293808       0.80819661      -3.71002437       0.04892343       0.55929573       0.51354944 
Hf       0.15299564      -0.15581932      -8.88033644       1.11964503       0.74527668      -0.40087503 
Hf       5.46430529       0.79451992      -3.76014377      -0.49134123      -0.05272426      -0.30373970 
Hf       5.35367608      -0.14068381      -8.99063899      -0.15388700       1.44380557       0.18029593 
Hf       0.28066078       5.78986641      -3.67941380      -0.82868518       1.32784091      -0.16075357 
Hf       0.11015583       5.09169938      -8.99298178       1.94619971      -0.24070945       0.67723068 
Hf       5.46890050       5.90680517      -3.73519008      -0.15932872      -0.29466479       0.15759384 
Hf       5.45661990       5.08781789      -9.00553481      -0.48876796      -1.09283100       0.07806387 
Hf       2.35850844       1.14956400      -1.12901744      -0.70462301       0.97667688       0.19409705 
Hf       2.37178090       0.36131983      -6.25421972       0.17237986       0.00355048      -1.25166642 
Hf       7.49215329       1.24674061      -1.12052646       0.67015229       0.03734413      -0.55141064 
Hf       7.60735111       0.35417846      -6.40008472      -0.72365851       0.73911880       1.35727673 
Hf       2.38983383       6.40284498      -1.11436419      -0.03561751       0.14685873       0.93118520 
Hf       2.36284701       5.50630768      -6.28930900       0.27177237      -0.71881995      -0.78170172 
Hf       7.63432567       6.28196534      -1.10904417      -1.09896361       0.84608058      -0.20447248 
Hf       7.64660804       5.46401580      -6.38735528      -0.88106080       0.00859567       0.30649286 
Hf       4.95207122       3.46008448      -1.55735793       0.81906225      -0.21016771      -0.36714869 
Hf       5.03737981       2.54323033      -6.80805470      -1.02658137       1.19830593      -0.68239836 
Hf      10.15138253       3.42673578      -1.48906444       0.18907256      -0.04833116      -0.13830219 
Hf      10.24718115       2.59525286      -6.84962537       0.44907263       0.50443790       1.12720679 
Hf       4.97296382       8.58876328      -1.53612323      -0.14189434      -0.08504967       0.07273622 
Hf       5.01227883       7.72746269      -6.75387515      -0.70593459      -0.28889147       0.07853567 
Hf      10.08881602       8.58430366      -1.54991323       0.42369707       0.83875021       0.28055870 
Hf      10.14164921       7.76328412      -6.70369685       0.70795105      -0.98051581       0.18661445 
O       1.36669680       1.42189199      -7.92615784       0.27130847       0.25400298      -0.91898769 
O       6.53981303       2.33489939      -2.83136514      -0.21437153       0.02492698       0.57102830 
O       6.57319258       1.49842339      -7.98611397      -0.19606456      -0.34550206      -0.18605977 
O       1.38797478       7.49821347      -2.73010632      -0.86707812       0.05550456       0.22908118 
O       1.34196873       6.69424277      -7.88862885      -0.03170002       0.13076073      -0.43505844 
O       6.45790530       7.52531854      -2.67505900       0.84487306      -0.43813467      -0.83935646 
O       6.54688976       6.63299783      -7.97110002      -0.01166049       0.77156947      -0.18511266 
O       3.91415432       1.35816671      -5.23723009       0.99696247       0.29963996       0.98730536 
O       3.91944848       0.51429862     -10.45342834       0.42182669       0.17150575       0.10969571 
O       9.15115455       1.35218596      -5.09315597      -0.41596489       1.26418609      -0.42370501 
O       9.16014434       0.58994050     -10.25340301      -0.22026883      -0.21775188      -0.38647224 
O       3.92159221       6.54662666      -5.07103827      -0.26601181       0.35631609      -0.07132891 
O       3.98364295       5.62025735     -10.44621276      -0.46825302       0.77797268       1.04292839 
O       9.12161151       6.63139580      -5.15212621      -0.22885315      -0.15124046       0.20718550 
O       9.09561312       5.71213804     -10.42430067      -0.31379148       0.19972033       0.32170851 
O       3.72485842       1.93602470      -2.60335092       0.59483543      -0.79808442       1.07025865 
O       3.93292023       1.00737695      -7.81079179      -0.75013601      -0.04515875       0.24087543 
O       9.01940987       1.91855622      -2.43134021       0.10210486      -0.42766150      -0.22413668 
O       9.07282689       1.03608017      -7.64334463       0.13516016      -0.14811941      -1.12647847 
O       3.82453542       7.10366891      -2.48180045       0.46082996      -0.46268272      -0.68793650 
O       3.89875257       6.13592180      -7.69026356      -0.04504097       0.33342887      -0.75947015 
O       9.06096980       7.04452783      -2.50600808      -0.15533808      -0.27816974      -0.49836468 
O       9.08243293       6.11718899      -7.78973634      -0.23780059       0.37294996      -0.07646054 
O       1.26502704       2.92409536      -0.26928792       1.33300969      -0.97770001       1.07211836 
O       1.33380300       1.98913485      -5.33854530      -0.86014177      -0.56276033       0.10553315 
O       6.59618870       2.86845676      -0.19906390      -1.36382185       0.21412489       0.23767267 
O       6.48437593       1.99374341      -5.38501669      -0.02902251      -0.50936513      -0.49296357 
O       1.21323090       6.18624608     -10.49861036      -0.00899012       0.00530969      -1.02154823 
O       1.19996239       6.99961094      -5.32742738       0.57637341       0.47280390       0.45212264 
O       6.46702476       7.93486977      -0.08949733       0.14290509       0.36067099       0.18455075 
O       6.38871269       7.03083180      -5.34360710       0.78079662       0.63283475      -0.20257427 
O       3.66550947       4.75879530      -0.83740065      -1.40887903       0.15817995       0.60381730 
O       3.42942212       3.69953967      -6.12583128       0.68259301       0.13660355       0.25193624 
O       8.86532075       4.77154847      -0.76635768      -0.59171680      -0.43142811       0.54578080 
O       8.79229942       3.83374409      -6.11831328      -0.17097630      -0.90484163       0.81505614 
O       3.31108237       9.69633690      -0.81126354       1.05396875      -0.18416278      -0.16655944 
O       3.44357121       8.87524345      -6.06458452      -0.15801342       0.10665784       0.15586236 
O       8.48658463       9.80022433      -0.78228602       1.55603461      -0.66046109      -0.17324024 
O       8.59252875       8.95269749      -6.00583469       0.61997470      -0.87859682      -0.62305931 
O       0.82594398       0.01106936      -1.84580123      -0.04529700       0.19835232       0.71721321 
O       0.72587609      -0.75047487      -6.89348851       0.40351296      -0.34612106      -0.01207488 
O       6.05104265       0.01483542      -1.91842454       0.16641482       0.77332628       1.24021496 
O       6.05837030      -0.80093147      -7.08050299      -0.16257924      -0.58581907       0.12697615 
O       0.92700456       5.15574434      -1.82513020       0.28545178       0.03333243      -0.21203104 
O       0.92341025       4.33353273      -7.16751808      -0.13540328      -0.31661262       0.43790298 
O       6.20184999       5.04187098      -1.93288216       0.55013919       0.87188300       0.16732343 
O       6.13231450       4.31668903      -7.18528822       0.28314202      -0.47710385       0.68491317 
O       1.72038026      -0.34627285      -4.32058068       0.76457589      -0.54955429      -0.99647559 
O       1.68172889      -1.26787340      -9.65625785      -0.15674877       0.01576643       0.19905551 
O       6.99267435      -0.30093469      -4.40372694      -0.24088608      -0.51412915      -0.58477259 
O       6.89936847      -1.19579494      -9.69993240       0.21346915      -1.12640462       0.41026095 
O       1.64704858       4.62494404      -4.48588708       0.78114317      -0.16559421       0.15069006 
O       1.78070549       3.89918869      -9.65344894      -0.05610559      -0.44837156      -0.45741687 
O       6.93968697       4.72140999      -4.59255822      -0.06634097      -0.23608865       0.85496039 
O       6.91331712       3.76982959      -9.78118520      -0.30970082       0.89829914       0.13662331 
O       4.43855874       4.14226298      -3.45489072      -0.95414975       0.25235751      -0.61645066 
O       4.46146238       3.29269425      -8.74024278      -0.88690602      -0.24473906      -0.09018521 
O       9.50032966       4.14903054      -3.39479293      -0.15383168       0.43358736      -0.48709639 
O       9.50786532       3.34572575      -8.63616245      -0.30122583      -0.28425161      -0.69176780 
O       4.37346094       9.39878261      -3.43629176      -1.02290350      -0.79364885      -0.38388516 
O       4.25609061       8.51866536      -8.70393218       0.20268529      -0.85521566       0.30900777 
O       9.44956538       9.41744495      -3.38693513      -0.24271781      -0.84267898       0.03203410 
O       9.50182898       8.44270875      -8.55014512      -0.78137309       0.15064750      -0.98751944 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0008519086299726887 0.0027400930477988914 -0.0012242905023920321 0.0027400930477988914 -0.0011607507910528613 0.0022434318809403516 -0.0012242905023920321 0.0022434318809403516 -0.003354938625503129" pbc="T T T" energy=-961.79938783 free_energy=-961.79938783 config_type=crystal 
Hf       2.79800119       2.88249520      -4.11294337       0.12586932       1.97495142      -0.04011640 
Hf       2.77571411       2.12329991      -9.37995805       1.30180437       0.45174896       0.16823183 
Hf       8.05832483       3.03604013      -4.12225445       0.30301544       0.05049031      -0.74310598 
Hf       7.99189188       2.18784405      -9.39791972      -0.39246283       0.45067315       0.28855676 
Hf       2.77272420       8.07862615      -4.19960218       0.40111464       0.39927107       0.75127054 
Hf       2.87672482       7.31009977      -9.49300504      -0.97286486      -0.24982956       1.79468592 
Hf       7.96600799       8.22137172      -4.17063432       0.15736616      -0.68686835       0.31277698 
Hf       8.01007770       7.18407030      -9.50240475      -0.28297369       0.92992197       1.12385502 
Hf       0.24155909       0.77391912      -3.71463907      -0.59261742       0.25314378       0.71247299 
Hf       0.11494056      -0.12703990      -8.94314495       1.16012774      -0.78415833       0.37584620 
Hf       5.38122989       0.79415527      -3.77355165       1.91640271       0.30791700       1.03707420 
Hf       5.45247594      -0.13971349      -8.95568454       0.13774232       0.59425150      -0.01345256 
Hf       0.18288779       5.94714108      -3.75233701       1.29352024      -0.66629066       0.77713553 
Hf       0.20329942       5.06198373      -8.98802414       1.04550151      -0.03842659       0.83785811 
Hf       5.34388177       5.93788936      -3.75974643       1.29876461      -0.78380155       0.51541885 
Hf       5.40659021       5.08485302      -8.88592832       0.73229360      -0.13413156      -0.73930771 
Hf       2.42691264       1.20015812      -1.12817781      -0.79666611       1.22295797       0.84899738 
Hf       2.33781263       0.32593440      -6.28742184       0.38483927      -0.50101591      -0.43498221 
Hf       7.61317425       1.30907045      -1.08155752       0.34103007      -0.12077728      -0.09684509 
Hf       7.51898747       0.32425857      -6.32364917       0.63523660       0.87195131      -0.49927632 
Hf       2.40043089       6.39879064      -1.07567174      -0.01780978      -0.21858650      -0.61526679 
Hf       2.39458157       5.38368027      -6.32572587      -0.96571754       0.19158950      -0.35262792 
Hf       7.60538444       6.29415878      -1.16409580      -1.05786153       1.18595778       0.58604901 
Hf       7.61644626       5.45012197      -6.31471002      -0.50523889      -0.17039369      -0.64395898 
Hf       4.99177836       3.49424788      -1.52945756       0.03078823       0.64611772       0.40207907 
Hf       4.97351960       2.54898699      -6.78654111       0.52784957       0.36215510      -0.50824305 
Hf      10.28045576       3.48355854      -1.46513896      -0.62451771       0.23491714      -1.14762430 
Hf      10.17058359       2.49612497      -6.80008623      -1.24555034       1.48320700       0.64141970 
Hf       4.98856859       8.64122898      -1.58534357       1.57698837      -0.33970170       0.31980369 
Hf       4.99167685       7.72312765      -6.75654209      -0.08201925      -0.60854704      -0.32791195 
Hf      10.13813335       8.65279987      -1.51476850       1.26007722      -0.02315228      -0.34735769 
Hf      10.12286824       7.70245904      -6.76069990       0.59040914      -0.27003406      -0.78547779 
O       1.26916300       1.46079802      -7.89261445       0.21508491      -0.18012525      -0.83199973 
O       6.60613138       2.49329012      -2.77175038      -0.55749012      -0.82925524       0.72434466 
O       6.48200975       1.56219770      -8.08946860      -0.38197574      -1.02583451       1.07886261 
O       1.36156047       7.50533213      -2.74434007      -0.38282758      -0.04182939      -0.21594558 
O       1.28592629       6.64668702      -7.99379084       0.51266303      -0.37189663      -0.20439482 
O       6.48034002       7.60824247      -2.76461554       0.58856197      -0.96339021      -0.41521433 
O       6.51034117       6.70937340      -8.05873045      -0.05454095      -0.55144955       0.60370100 
O       3.93744655       1.39303481      -5.09815057      -0.66037380       0.10757034      -0.22996782 
O       3.99306622       0.68638506     -10.27951608       0.12906608      -1.03451293      -0.75144496 
O       9.08931120       1.45921858      -5.07501337       0.40505027      -0.62748050      -0.46198117 
O       9.17974594       0.71691364     -10.31538009       0.42545000      -1.07088264      -0.23058077 
O       3.88436815       6.44924648      -5.10968137       0.23087719       0.83949720      -0.34257837 
O       4.01478848       5.74165246     -10.37730204      -0.39024006       0.15479481      -0.30409349 
O       9.11601592       6.58298122      -5.20022571       0.41882785       0.08833309       1.24367953 
O       9.27773806       5.74346411     -10.42438582      -1.37181432      -0.26936429       0.06677581 
O       3.91976570       1.89904056      -2.46907448      -0.43828544      -0.15335631      -0.21160960 
O       3.79783974       0.98295975      -7.69535834       0.22963917       0.16446469      -0.05305258 
O       9.18817465       1.84890263      -2.47217310      -0.32685181       0.47088368       0.58854656 
O       8.95792041       1.02279592      -7.74258472       0.70129345      -0.50376223      -0.14460797 
O       3.86146243       7.06713113      -2.49717268       0.20723940       0.05049344      -0.46905973 
O       3.85445916       6.20229560      -7.72459543      -0.15938510      -0.81133311      -0.13513343 
O       9.11512184       7.05149795      -2.43192992      -0.51584054      -0.57868567      -1.18148050 
O       9.00792070       6.13638965      -7.74581155       0.27322589      -0.05986391      -0.76881608 
O       1.36620243       2.93671220      -0.14319679      -0.19460297      -1.02476829       0.01463885 
O       1.18880965       1.91406748      -5.25968191       0.80236904      -0.15328333      -0.25442897 
O       6.48003798       2.91526337      -0.07626659       0.04837794      -0.98631839      -1.05010738 
O       6.45579659       1.88802398      -5.40672812      -0.47388537      -0.02367456       0.39005009 
O       1.32985240       7.98017460      -0.16264955       0.14712291       0.38563961       0.25850663 
O       1.30160431       6.99021408      -5.32453153      -0.69598253       0.34789830      -0.40949770 
O       6.49660073       8.08828112      -0.15761893       0.33787476      -0.57545870      -0.32313888 
O       6.46921846       7.00358934      -5.38390268      -0.60058318       0.38965340       0.43502236 
O       3.53587765       4.72520390      -0.76138072       0.31023143      -0.35312352      -0.11394161 
O       3.41943351       3.65958179      -6.11723928      -0.25443040       0.04217145       0.42924157 
O       8.67468128       4.64639212      -0.87063899       0.24346387       0.02838541      -0.02529481 
O       8.59134114       3.70756615      -6.10952292       0.95301144      -0.34880846       0.51697817 
O       3.61424219       9.92332178      -0.80087342       0.14290149      -0.52356147       0.21195403 
O       3.46314226       8.87586693      -6.06700900      -0.07697954       0.07837709       0.52055308 
O       8.83049934       9.93955841      -0.73530861      -0.60369696      -0.10794216      -0.02967232 
O       8.60050112       8.91512563      -6.03401395       0.90104224      -0.36419868      -0.38434031 
O       0.91451595       0.06774796      -1.76188066       0.24189584       0.11600390      -0.54390581 
O       0.85839620      -0.87534851      -6.97341991      -0.45985885       0.30249644      -0.46280837 
O       6.32563799       0.04964926      -1.93234894      -1.23011923      -0.06204637       0.30871203 
O       6.12228807      -0.90462035      -7.05381029      -0.46774813       0.78773276      -0.52317419 
O       0.98403627       5.14013295      -1.85734789      -0.38518594       0.31954861       0.06731209 
O       0.75536115       4.29034736      -7.11675101       1.32173576       0.13351969       0.99406781 
O       6.05184280       5.22492951      -1.84536094       0.08946236       0.04684525      -0.30794968 
O       6.18450027       4.26068480      -7.08479237      -1.05786387       0.10477309      -0.20053994 
O       1.73566335      -0.46435125      -4.39020260      -0.04507968       0.37598298      -0.20434921 
O       1.78662899      -1.23360655      -9.67034239      -0.62721863       0.37144946      -0.18964674 
O       6.87278957      -0.44202748      -4.51235969      -0.63339817       0.50574093       0.41368903 
O       7.06419616      -1.23796559      -9.62295629      -0.87186857       0.46741418      -0.68202880 
O       1.76653084       4.69985688      -4.38656583      -0.22325531      -0.24537710      -0.56123787 
O       1.76857482       3.85886081      -9.74487323      -0.91656465       0.31437595       0.98153619 
O       6.90310804       4.67162616      -4.47853447      -0.34327162       0.95546477       0.64566491 
O       6.95005523       3.94109953      -9.75806186      -0.02257010       0.16900792       0.08857535 
O       4.30828522       4.18477930      -3.48267505      -0.00188049      -0.21836428       0.37979033 
O       4.38957193       3.37147353      -8.60768182      -1.23822895      -0.64694548      -0.60801915 
O       9.64461314       4.13926841      -3.45383247      -0.45104815       0.39472938       0.01212440 
O       9.46578671       3.36786943      -8.63837335       0.12534813      -0.28983661      -0.71874263 
O       4.38023001       9.39748500      -3.42792595      -1.04665678      -0.64194315      -0.36359154 
O       4.31549962       8.46621584      -8.59451713       0.17608733       0.52581884      -0.97288095 
O       9.46898785       9.37276113      -3.42718639       0.15078109      -0.19510978       0.27981617 
O       9.54296520       8.39920160      -8.69066752       0.25505192       0.77545915       0.41433882 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006405240400322287 0.003628851472752685 0.0034790624377084908 0.003628851472752685 -0.010716666731428567 0.003242903848768981 0.0034790624377084908 0.003242903848768981 -0.001585589614165964" pbc="T T T" energy=-961.55644151 free_energy=-961.55644151 config_type=crystal 
Hf       2.84669396       2.96050480      -4.20962131      -0.48847938      -0.06483311       1.23374693 
Hf       2.85857277       2.15067798      -9.48223543      -0.43507247      -0.42576847       0.97683514 
Hf       7.99687704       3.05474237      -4.15141615       0.73052265      -0.64561100       0.18994661 
Hf       7.95082372       2.11613369      -9.50443377       0.71764951      -0.26632494       0.56823972 
Hf       2.80011042       8.12900418      -4.27341982      -0.31372540       1.85454934       1.52781756 
Hf       2.79757124       7.28615794      -9.35428990       0.72435344      -1.41137837      -0.66062411 
Hf       7.97801595       8.14208449      -4.12222253       0.54153448       0.37747347       1.11063897 
Hf       7.94675561       7.34218986      -9.38770507       0.91949701      -1.34941310      -0.54468715 
Hf       0.21978061       0.77453873      -3.79171095       0.26692541       0.36298656       0.39136472 
Hf       0.31352601      -0.13896614      -8.97630643      -1.35458202       0.53540364      -0.82940885 
Hf       5.44664947       0.72959035      -3.72275171      -0.23602805       0.44420724       0.44430404 
Hf       5.42741610      -0.14164034      -8.87171567      -0.72957139       0.42843696      -0.53430640 
Hf       0.20397105       5.95228905      -3.71259828      -0.13788116      -0.30276559       1.35577776 
Hf       0.15847340       5.05743681      -8.94385227       0.82296977      -0.59642950       0.03263593 
Hf       5.38304123       5.93755211      -3.67023020       0.51416803      -0.24263021       0.91298234 
Hf       5.50138970       4.98324032      -8.94256501      -0.71339744       1.49205874      -0.53251142 
Hf       2.37667265       1.22598595      -1.14288231       1.77407906       0.13379708      -0.42831261 
Hf       2.33178439       0.32311482      -6.39597164       0.80641464       0.33505212       0.01767604 
Hf       7.58780281       1.25546498      -1.08030680       0.31233873      -0.38486352      -0.91582119 
Hf       7.64007784       0.28985656      -6.31651403      -0.61947906       0.83772754      -0.24056289 
Hf       2.36076293       6.41301706      -1.07432042       0.28444033      -0.03571527       0.54104104 
Hf       2.36350399       5.41603018      -6.30273327      -0.25560199       0.22265259      -0.35718976 
Hf       7.68414651       6.46157427      -1.10461082      -1.19570060       0.02276229       0.25995582 
Hf       7.58141455       5.48719490      -6.26353227      -0.21501708       0.02008641      -0.24116282 
Hf       5.02052872       3.50757648      -1.54059784      -0.40161691      -0.82092979      -0.11834581 
Hf       4.95360057       2.57212028      -6.79612772       0.81790298      -0.65621601       0.48399372 
Hf      10.13601040       3.50787778      -1.46946226       0.72386878      -0.35173212      -1.79362621 
Hf      10.13124468       2.55465357      -6.83105582      -0.12298495      -0.23653645      -0.46743168 
Hf       4.92814435       8.58953479      -1.53200784       0.58356118       0.57429705       1.43355161 
Hf       4.95272363       7.66506831      -6.81638545       0.30506818       0.15788054       1.11420161 
Hf      10.24357001       8.64781908      -1.50541710      -0.77284010       0.67801335      -0.22422707 
Hf      10.14686525       7.69020253      -6.78879390       0.15826629       0.42360197      -0.57461839 
O       1.33724177       1.45638230      -8.00968127      -0.13640315       0.12468670      -1.05466959 
O       6.52658941       2.33170434      -2.76904595       0.25772404       0.39668582       0.72093866 
O       6.54997453       1.40725033      -7.95713519      -0.29943502       0.46000619      -0.00392312 
O       1.45387377       7.55950006      -2.76646774      -0.53802480      -0.42847903       0.52270342 
O       1.39024911       6.49846059      -7.90901164      -0.52453978       1.00171221      -0.37034075 
O       6.67820220       7.55097911      -2.62338604      -1.28477706      -0.44376130      -0.68447528 
O       6.54267629       6.62139264      -7.92429314      -0.16430244       0.04477907       0.01564845 
O       3.95809737       1.44391080      -5.12964928       0.03048239      -0.39886577      -0.36531025 
O       4.06395920       0.42374352     -10.36420823      -0.72997867       1.08032941      -0.19113401 
O       9.17535531       1.47860854      -5.23790716      -0.69676136      -0.79686772       0.58644150 
O       9.19234282       2.31668752      -0.00936190      -0.46092204       0.28009294       1.37066947 
O       3.86785973       6.62647442      -5.03445602       0.42808731      -1.41044934      -1.21153419 
O       3.97103339       5.72394836     -10.29404080      -0.40041611      -0.55244508      -0.13865164 
O       9.00155072       6.52372216      -4.95218814       0.64555249      -0.33294179      -1.35691500 
O       9.18553188       5.67875893     -10.36649946      -0.69865751       0.42885323      -0.20139214 
O       3.80515929       2.00513466      -2.51948947      -0.19230056      -0.81590374       0.00866703 
O       3.79683843       1.02780741      -7.82636983       0.76069805      -0.04520591       0.56407055 
O       9.14365774       1.93680678      -2.55928879      -0.91405096      -0.66785036       0.04396476 
O       9.02255158       0.96665556      -7.89079470       0.21951089       0.00961693       0.61906075 
O       3.97272514       6.94956104      -2.33900982      -0.34823458      -0.51918209      -1.00303232 
O       3.92846684       6.08936468      -7.74714785      -0.73685826      -0.14375277       0.99699268 
O       9.11068238       7.09281333      -2.43939720       0.92983117      -0.29992019      -0.53019415 
O       8.99288729       6.19994211      -7.76884710       0.74108872      -0.20021898       0.67235773 
O       1.32062592       2.74729835      -0.30491084      -0.00072046       0.84952503       1.49229106 
O       1.20427322       1.78674778      -5.49276151       0.46201831       1.23006947       1.09032330 
O       6.46869604       2.80979825      -0.10063446       0.42133437      -0.03574473       0.01834308 
O       6.51434112       1.83115739      -5.26270241      -0.45546486       0.52942149      -1.26107275 
O       1.27945469       7.96686640      -0.10569941      -0.06413552       0.05333302       0.31565605 
O       1.11083039       7.11084221      -5.33701589       0.76938516      -0.60570646      -0.28107592 
O       6.41304572       8.01060596      -0.11280841       0.96018684      -0.18224176       0.65299055 
O       6.39590724       7.03468986      -5.21854745      -0.19915199       0.17491491      -0.95024444 
O       3.37968232       4.59970881      -0.82548753       0.87650415       0.13667974      -0.26660161 
O       3.39599633       3.69248486      -6.10324021       0.25987285       0.38185905      -0.18623447 
O       8.55820036       4.60988177      -0.97676379       0.00526210       0.05435424       1.22180167 
O       8.61674749       3.71660556      -6.06591441       0.09105405       0.78271543       0.06530631 
O       3.39503429       9.72221324      -0.77240686       0.53793083       0.20785036      -0.56063732 
O       3.49066137       8.92810889      -6.10552661      -0.09611248      -0.53477854       0.11352525 
O       8.69006879       9.81888164      -0.77953655      -0.07936784      -0.05781453      -0.02658780 
O       8.66185561       8.80379012      -6.06211814      -0.07515593       0.49765948       0.06433274 
O       0.90451061       0.16148501      -1.82821506      -1.13670885      -1.35666903      -0.56399523 
O       0.87532760      -0.85171669      -7.09238892      -0.61768570      -1.01299256      -0.42480190 
O       6.08282521       0.06676015      -1.80435521      -0.34405251      -0.21479413      -0.01093206 
O       6.05896410      -0.88458237      -6.90122052       0.00986020       0.12715870      -1.11356808 
O       0.79507285       5.28570348      -1.68399887       0.20034927       0.19148253      -0.55004197 
O       0.85368763       4.26004891      -7.02228659      -0.34427470       0.02009874       0.12791293 
O       6.13394130       5.16495988      -1.74930989      -0.68721128       0.38345373      -0.99755185 
O       6.14394695       4.26720571      -7.04343655      -0.57389603      -0.46534718      -0.11182120 
O       1.66530370      -0.47071802      -4.56673067      -0.04110623       0.07524979       0.57480084 
O       1.75322004      -1.31755223      -9.70986575      -0.46965588       0.32995042       0.41582903 
O       6.91918826      -0.42905831      -4.40775129       0.59643341      -0.35643790      -0.26481422 
O       6.87312092      -1.32719166      -9.63921949      -0.17355054       0.94253934      -0.35615698 
O       1.70541263       4.75762117      -4.37275588       0.69666378      -0.28030179      -0.57769761 
O       1.70280103       3.85386826      -9.59875244       0.31534045      -0.20057863      -0.50643957 
O       6.89864811       4.73500438      -4.43155706      -0.00032592      -0.19247616       0.39741370 
O       6.95870599       3.87557586      -9.79792512      -0.22404814      -0.45213342       1.10457081 
O       4.38103900       4.14268932      -3.50728990       0.16357071       0.98719800       0.09838882 
O       4.34912583       3.35154305      -8.61856263      -0.35748705      -0.64484831      -0.78620656 
O       9.59787261       4.18548697      -3.39536206      -0.42004522       0.49936067      -0.85513768 
O       9.40020483       3.38148326      -8.70022421       0.35326290      -0.31788794      -0.05223056 
O       4.34204797       9.25078579      -3.41722092      -0.40447740       0.37306272      -0.58110090 
O       4.26488735       8.44102717      -8.62724052       0.75066886       0.60007975       0.14555225 
O       9.49383084       9.35626691      -3.34996835       0.06254275       0.14583462      -0.66393921 
O       9.50346358       8.50879862      -8.77190057       0.35582468      -0.46083168       0.99984100 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.002162753971699947 -0.0023598123458524506 -0.0007800343506298154 -0.0023598123458524506 -0.005640576670933783 0.0008537207897322978 -0.0007800343506298154 0.0008537207897322978 -0.00549707463313398" pbc="T T T" energy=-962.3171601 free_energy=-962.3171601 config_type=crystal 
Hf       2.81350912       2.97318911      -4.16478255       0.14263650       0.79448850      -0.68862277 
Hf       2.81679141       2.13263467      -9.46086832       0.45840360      -0.80497756       0.73198854 
Hf       8.09697922       3.03953649      -4.14547880      -2.13964991      -0.44106682      -1.43711142 
Hf       7.96192409       2.11858613      -9.37701652       0.83903085      -0.41194681       0.19424065 
Hf       2.82760501       8.25284140      -4.11635249      -0.14670369      -1.03797216      -0.56712917 
Hf       2.79416468       7.20876536      -9.43284110      -0.09776087       1.22706018       0.55051220 
Hf       8.00128169       8.14764212      -4.15787811      -0.05813610       0.74640282       0.25750973 
Hf       8.04031658       7.23047266      -9.35983190      -0.56814019       0.95454758      -0.48828333 
Hf       0.17495096       0.81771353      -3.74988239       0.38446259      -0.63223209       0.60777227 
Hf       0.22712561      -0.10818935      -8.96259235      -0.65028951      -0.13459984      -0.02988335 
Hf       5.39583449       0.81301336      -3.70833368       0.60289952      -0.14042179      -0.93318760 
Hf       5.33748903      -0.16221676      -9.01148213       0.44019482       0.12847314       0.29162726 
Hf       0.21642434       5.87642016      -3.66675566       0.76098271       0.81991542      -1.31620650 
Hf       0.25940525       5.03923312      -8.98970350      -0.86045788       0.41753839       1.28177541 
Hf       5.44517790       5.89654495      -3.68306549      -0.38821953       0.45028791      -1.30119436 
Hf       5.38123945       5.04123205      -8.98490305       1.65029467      -0.42422873       0.77712846 
Hf       2.31240130       1.15016358      -1.11866565       0.35294931       0.29811317      -0.15018003 
Hf       2.38032338       0.36208549      -6.33358703      -0.02847996      -0.09771537      -1.11954448 
Hf       7.58679236       1.17347518      -1.08403661      -0.17350880       0.47135975       0.80327412 
Hf       7.54161806       0.35707115      -6.39809066      -0.20613665       0.25790640       0.50440564 
Hf       2.39023863       6.35252728      -1.02363714       0.06076247       0.23494126      -1.50598446 
Hf       2.39025256       5.54857179      -6.35821983       0.16188828      -0.79449794       0.93517311 
Hf       7.57856875       6.33332505      -1.04185040       0.75206487       0.74330381       0.18431257 
Hf       7.62329128       5.52023338      -6.35609819      -0.79530455      -1.12454630      -0.03123169 
Hf       5.06165715       3.48130721      -1.57444994      -1.23701581      -0.80816527      -0.15741926 
Hf       4.97207452       2.59520076      -6.82682975       0.32242477       0.23012573       0.19147670 
Hf      10.21179087       3.46344687      -1.53209069      -1.76353989      -1.13252811       0.68158906 
Hf      10.24687745       2.63450190      -6.81292845      -0.98917780      -0.09623096       0.03631194 
Hf       4.99628744       8.60997532      -1.52443461       0.11450518      -0.05862982       0.21163125 
Hf       4.94423175       7.65444568      -6.73014047       0.79721569       1.29853101      -0.54266668 
Hf      10.16208370       8.57887888      -1.54928970      -0.67574039      -0.36551697       0.30331988 
Hf      10.11798251       7.76481891      -6.74125523       1.51174676      -0.25986082      -0.27891358 
O       1.25828592       1.51973822      -8.07586121       0.42788045       0.05573603       0.20620437 
O       6.45238670       2.40475386      -2.83285423       0.68588015      -0.21555989       0.30657949 
O       6.48490105       1.37258337      -8.10628088      -0.25108443       0.15481045       0.64198018 
O       1.31484580       7.51872594      -2.78767010      -0.17483472      -0.21461365       1.10067105 
O       1.38609611       6.66911047      -7.95741503       0.11586014      -0.25643614      -0.21141503 
O       6.55734312       7.64356143      -2.72282217      -0.37016859      -1.21250215       0.24036560 
O       6.56525772       6.60672690      -7.96241898      -0.06244924      -0.01510465      -0.02247018 
O       3.96161053       1.53140999      -5.19401944       0.21836495      -1.04083775       0.40423528 
O       3.84879728       0.50009560     -10.40012601       0.48231984       0.15606709      -0.27988392 
O       9.18808696       1.52801415      -5.12389024      -0.17923489      -0.25440759       0.18368290 
O       9.00693777       0.46329421     -10.19369186       0.40511283       0.05125663      -1.26693533 
O       3.97419807       6.63652594      -5.12060996      -0.30132303       0.17655150       0.28262546 
O       3.95600591       5.62340921     -10.36537044      -0.51668548       0.38893779      -0.50621143 
O       9.11511643       6.57800856      -5.07513119       0.07959765       0.25789438      -0.45943563 
O       9.12212905       5.73852895     -10.40933838       0.48490640      -0.65833456       0.65499979 
O       3.75624459       1.89152052      -2.56740857       0.19849866       0.22642280       0.46288528 
O       3.75387726       1.02862148      -7.82507490       0.52403616      -0.18177351       0.35771895 
O       9.07121453       1.88160681      -2.46314627      -0.13943157       0.10260609      -0.27415030 
O       9.03978918       1.10369310      -7.71818482      -0.00348104      -0.02646595       0.26658442 
O       3.78407967       7.02119230      -2.49369846       0.88517878       0.23777638       0.14265866 
O       3.92803170       6.07028212      -7.71197257      -0.27561352       0.21232941      -0.55490240 
O       9.08905238       6.86461146      -2.43346416      -0.16499357       0.65501375      -0.37200867 
O       9.14457926       6.15915528      -7.74785087      -0.47203443      -0.04367820       0.13004160 
O       1.19733448       2.69576438      -0.19832455       0.12551780       0.81364755       0.00834423 
O       1.29484739       1.90658735      -5.35679132      -0.34281421       0.59442012      -0.18760239 
O       6.44492668       2.82362160      -0.20345828      -0.21624741      -0.34570586       0.19437574 
O       6.51010292       1.95315027      -5.45767874      -0.10567129      -0.44694337       0.12437117 
O       1.27127982       6.11050631     -10.47975688       0.03549192       0.33666843      -1.87288600 
O       1.30887481       7.03713615      -5.35036350      -0.64855429       0.52529894       0.12233892 
O       6.52213260       8.03183522      -0.06792167      -0.94188626      -1.11373916      -0.26178682 
O       6.46869967       7.08987090      -5.39682134       0.36754492      -0.20085759       0.55910074 
O       3.54727872       4.68461977      -0.80631157      -0.18325939       0.01322213      -0.05805544 
O       3.52488119       3.81334903      -6.08680102       0.00121550      -0.06560719       0.12910067 
O       8.67398908       4.59738532      -0.72800409       0.31248779       0.17229706      -0.75158724 
O       8.76387137       3.83954121      -6.02889786       0.23113102      -0.06523862       0.03604849 
O       3.38283006       9.72668610      -0.90073063       0.35194903      -0.54076689       0.76335098 
O       3.52191320       8.98564925      -6.06067998      -0.18621411      -0.46158755       0.64315327 
O       8.58286557       9.73596018      -0.83707671       0.53524221       0.25498798       0.37341940 
O       8.76977108       9.00684364      -5.98624343      -0.44566520      -0.16803251       0.27604688 
O       0.81008070      -0.03044258      -1.79241752       0.57532217       1.01103638      -0.41705591 
O       0.91549876      -0.87077259      -7.13408726       0.40201838       0.42608390       0.74067962 
O       6.03965582       0.07261238      -1.78907529      -0.21505350       0.22560458      -0.27953361 
O       6.06079072      -0.85124124      -6.98794065      -0.50450929      -0.43480738      -0.88374870 
O       0.86272469       5.06085949      -1.83728599       1.59982965       1.67964507       0.14657622 
O       1.00036399       4.29487915      -7.10150720      -0.54517320      -0.13499037      -0.62688717 
O       6.17931126       5.15286313      -1.87330762      -0.55219345       0.11682841      -0.41635353 
O       6.24713110       4.18793725      -7.22477746      -0.31499221       0.39668776       0.40311404 
O       1.74571492      -0.30025648      -4.46574980      -0.08294443      -0.97862657       0.79431411 
O       1.63022991      -1.36214396      -9.72523041       0.56372834      -0.44068258      -0.12230644 
O       6.90177631      -0.40172596      -4.45723141      -0.12717243       0.32641428       0.24275211 
O       6.83473844      -1.33518235      -9.68184284       0.41693406      -0.07863411      -0.24981163 
O       1.69071545       4.64778053      -4.47298953      -0.50816146       0.56531149       0.24983166 
O       1.69325515       3.82434775      -9.73483068       0.33845109      -0.77166993       0.04307939 
O       6.80055957       4.68103469      -4.56395599       0.66802127       0.23761948       0.28945232 
O       6.79869056       3.72961907      -9.77293972      -0.27755710       1.15353084      -0.31282271 
O       4.30806858       4.25079829      -3.53293369       0.15326551      -0.23204883       1.20114476 
O       4.31576187       3.30463145      -8.68654069      -0.52162823       0.18088882      -0.50224724 
O       9.42806183       4.25653132      -3.44580729       0.73967477      -0.03112536       1.01507399 
O       9.47710195       3.43449230      -8.73045350      -0.11289260      -0.66084865       0.57335971 
O       4.32025068       9.38015754      -3.33980147      -0.25242611       0.03990374      -0.83776218 
O       4.26845361       8.42593296      -8.70453386      -0.11691141      -0.41735792       0.35668582 
O       9.47403671       9.32109714      -3.33559620      -0.19667501       0.02656061      -0.84015892 
O       9.44684551       8.52112647      -8.59772527      -0.26229212      -0.41266300      -0.13399833 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002512927106619281 0.004341728708116223 0.002335479341928992 0.004341728708116223 -0.005834455308262104 -0.0009673544226516778 0.002335479341928992 -0.0009673544226516778 -0.008946354305708766" pbc="T T T" energy=-962.0912833 free_energy=-962.0912833 config_type=crystal 
Hf       2.77688967       3.05545086      -4.17916279       0.62808783      -0.57386023       0.73585723 
Hf       2.85661118       2.11136374      -9.38550845      -1.26034890       0.72516209       0.05362351 
Hf       7.96205365       3.02829189      -4.16065877       0.41171528       0.28501620      -0.69508463 
Hf       8.04549313       2.08668974      -9.37810197       0.14099053       0.93924906       0.53919266 
Hf       2.78112465       8.24791564      -4.16000500       0.37350923      -1.03543721      -0.24059279 
Hf       2.84263499       7.18769153      -9.35138775      -0.95481302       0.75525862      -0.53970972 
Hf       8.06136077       8.13776839      -4.18159987       0.00153567      -0.29952461      -0.47125856 
Hf       8.03293770       7.30027799      -9.45889106       0.13971507      -0.02736601       1.10311109 
Hf       0.19622696       0.81857984      -3.71922719       0.67128089      -0.07450658       0.47083560 
Hf       0.33196847      -0.16426969      -8.96044257      -1.13346828       1.33785658      -0.57444314 
Hf       5.37324859       0.74235327      -3.69038335       0.49780917       0.82720935      -0.96424020 
Hf       5.38840044      -0.06105592      -9.07524504       0.60784258      -0.75708909       1.81414920 
Hf       0.23438874       5.90332852      -3.70710164      -0.43201376      -0.30898977      -0.28365684 
Hf       0.23234913       5.01436930      -8.98462856       0.08985972      -0.51992469       0.50457890 
Hf       5.44453869       5.97178899      -3.70890575      -0.73577030      -0.77237465      -0.05049088 
Hf       5.44449494       4.95883571      -9.00152516      -0.51468387      -0.31747341       1.06456586 
Hf       2.38285529       1.12765076      -1.05546347      -0.92690701       1.39407328      -1.16351809 
Hf       2.36660601       0.35949969      -6.33426537       0.16027550       0.61286556       0.16630500 
Hf       7.58301413       1.24373203      -1.12343018      -0.30190154      -0.25008935      -0.17712774 
Hf       7.61391736       0.31336014      -6.27812788      -0.26843663       0.30223410      -2.02779187 
Hf       2.38287763       6.44665501      -1.07389336      -0.05622082      -1.91903605       0.42767701 
Hf       2.39722829       5.51613436      -6.35974252      -0.51758411      -0.80748381       0.16334289 
Hf       7.58570439       6.39551628      -1.03767306      -0.20569547      -0.81480505      -1.46818721 
Hf       7.53320244       5.53286895      -6.38802091       0.37372375      -1.12325204       0.39732203 
Hf       4.89795535       3.46723446      -1.51301606       0.27025489       0.56907689      -1.41260361 
Hf       4.98134006       2.53910728      -6.74615733      -0.29053277       0.52678986       0.14415875 
Hf      10.11551045       3.46059436      -1.56933763       0.73446030      -0.06091421       1.16828624 
Hf      10.13485729       2.58578916      -6.71171415       0.89304652       0.60104702      -0.93149321 
Hf       4.96472671       8.54729901      -1.46477448       0.28490382       0.68074842      -1.42464075 
Hf       4.96579462       7.75337344      -6.83281372      -0.20264571       0.39270350       0.50317659 
Hf      10.14523241       8.57599733      -1.54374245       0.67856580       0.35314525      -0.56323992 
Hf      10.21733493       7.71008784      -6.84374126      -0.67000343      -0.34440349       0.42841055 
O       1.32509510       1.46849656      -7.96236406       0.69199451      -0.21807944       0.08679864 
O       6.56625041       2.37894456      -2.81009148      -0.53071103      -0.29233541       0.82674974 
O       6.56704569       1.35421448      -8.01317807      -0.04803711       0.60832011      -0.63144098 
O       1.39152597       7.39876420      -2.70980743      -0.33356421       0.69672168      -0.54495039 
O       1.27545890       6.54580969      -7.99693241       0.81578212       0.96160854      -0.52126534 
O       6.54633637       7.50458438      -2.81586355       0.17110161       0.45483814       0.51311816 
O       6.46047742       6.57935984      -7.97920763      -0.05343190      -0.10618677      -0.64567237 
O       3.86449733       1.45023820      -5.05761590       0.43953182      -0.19435333      -0.98458558 
O       3.84139846       0.48856803     -10.35829829       0.44792319       0.44571306      -0.35386473 
O       9.14946259       1.44445315      -5.11752594      -0.48379261       0.25312489      -0.06105323 
O       9.07371651       0.67166104     -10.39295841       0.22015303      -1.54891072      -0.24940769 
O       3.98431291       6.66165747      -5.14371482      -0.31785105       0.08593665       0.12477571 
O       3.93350988       5.68686756     -10.35590195       0.18078519      -0.05728899       0.05248862 
O       9.09198857       6.49834623      -5.19583815       0.51404480       0.67666544       0.88328169 
O       9.15432743       5.71891863     -10.40565037      -0.42752602      -0.24022485       0.19787064 
O       3.82524197       1.81593305      -2.51273119       0.05029520       0.65557586       0.37982495 
O       3.93418078       1.06912234      -7.77108488      -0.88518512      -1.15182704       0.18767684 
O       9.08320669       1.73904128      -2.49252943      -0.25438536       0.89228947      -0.01379032 
O       9.11174748       1.04691763      -7.72869507      -0.21618671      -0.35918155       0.04694338 
O       3.92455999       6.99785112      -2.39033962      -0.32752431       0.42341625      -0.66806894 
O       3.80344822       6.11804253      -7.80762198       0.65799914       0.42871537       0.40628601 
O       9.03909594       6.95162120      -2.51163157       0.41199709       0.63162360      -0.12366612 
O       9.01302482       6.23470511      -7.73299957      -0.30569067      -0.48991366      -0.98675174 
O       1.19364353       2.83878920      -0.17174316       0.74499213      -0.77422272       0.35792222 
O       1.27859843       1.94322807      -5.25374047      -0.73075569      -0.13308326      -0.88224879 
O       6.39630529       2.77051211      -0.20779797      -0.04156938       0.19023392       0.45067838 
O       6.45643632       1.90601218      -5.41296158       0.05351311      -0.13887526       0.57344932 
O       1.26531464       7.94793623      -0.11368007       0.05844142       0.21296561      -0.31688553 
O       1.25687565       7.06398468      -5.44819818       0.15499850       0.13413448       1.10159289 
O       6.45378960       7.96211706      -0.15287308       0.12881691       0.20630850       0.65992036 
O       6.51072000       7.08479124      -5.42030369      -0.36317346       0.08292554       0.02643461 
O       3.61580957       4.72303304      -0.66863126      -0.67389752       0.13597250      -0.11869379 
O       3.59126000       3.86788981      -5.95931174      -0.08046810      -0.47364408      -0.39198536 
O       8.66218643       4.72747973      -0.79202825       0.25849317      -0.49682007       0.22635142 
O       8.78232599       3.82868301      -5.97330997      -0.98923176       0.37379148       0.01813201 
O       3.49807132       9.77723109      -0.80023016       0.46439295      -0.84271252       0.17496886 
O       3.36640436       8.95695364      -6.01663149       1.52405107      -0.78809490      -0.61970065 
O       8.71894498       9.78434329      -0.79279784      -0.71007753       0.62873930      -0.39614967 
O       8.76034054       8.94701206      -6.13034233       0.14339066      -0.60788861       0.52688183 
O       0.86702367       0.01613942      -1.82913806       0.07921372      -0.27958294      -0.00419380 
O       1.06217648      -0.98100310      -7.19741325      -0.36016901       0.68866223       0.25932189 
O       6.05389925       0.03115052      -1.92306412       0.73485334      -0.17370608       1.47584721 
O       6.06571250      -0.87162421      -7.09391864      -0.15350433      -0.18669897       0.09937836 
O       0.90843918       5.11107945      -1.78330311       0.40794775       0.55568946      -0.49571809 
O       0.93421969       4.30697010      -7.13014954      -0.06607029      -0.68652547       0.66758072 
O       6.04517629       5.22372188      -1.81587036       0.26454405      -0.37996826      -0.10821672 
O       6.16324038       4.08474446      -7.19863457       0.91719972       1.81187130       0.14108734 
O       1.69011333      -0.39023186      -4.42688955      -0.12361353       0.03549224      -0.38729711 
O       1.69118437      -1.36322048      -9.75313939       0.21432871      -0.43885767       0.26951652 
O       7.04953389      -0.37736101      -4.48717194      -1.09283402      -0.32002751       1.23318183 
O       6.93949620      -1.28004367      -9.69871171      -0.37771006      -0.15196290      -0.40183202 
O       1.63909127       4.70154997      -4.53525926      -0.35842946       0.43270943       0.39719890 
O       1.73764821       3.85515059      -9.63642707       0.01361216      -0.08814639      -0.85669566 
O       6.75694848       4.66643434      -4.53330321       0.49622773       0.11714254      -0.14104678 
O       6.89405726       3.80930190      -9.73497811      -0.14748175      -0.06253560       0.12617391 
O       4.19290338       4.24800563      -3.39631593       0.72101908       0.36403019       0.93921388 
O       4.19168034       3.36266946      -8.57496357       0.71316806       0.47790833      -0.31907140 
O       9.44499116       4.22834031      -3.36481428      -0.33312412      -0.23115774      -0.43858709 
O       9.46890328       3.38554014      -8.60782841      -0.59208758      -0.50033120      -0.23932504 
O       4.31644919       9.33993783      -3.47898903      -0.03715506      -0.52346170       0.53896179 
O       4.15724846       8.56801260      -8.67791887       0.85018599      -0.51105797       0.40375792 
O       9.59200261       9.27255129      -3.50288626      -0.24254368      -0.31225968       0.68531721 
O       9.54239664       8.48900148      -8.74919894      -0.28128451      -0.21339399       0.09582204 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0009216542301451613 -0.0001741454321438567 -0.000550540750968871 -0.0001741454321438567 -0.0014157723627669604 0.0016876702449008798 -0.000550540750968871 0.0016876702449008798 0.0025723415798828268" pbc="T T T" energy=-961.11169179 free_energy=-961.11169179 config_type=crystal 
Hf       2.82206771       3.06236872      -4.13906746      -0.21095906      -0.55601388      -0.21708398 
Hf       2.73436936       2.11095075      -9.38635165       0.80463061      -0.10910245       0.52657631 
Hf       8.04302678       3.03456344      -4.20138707      -0.25238903      -0.28977385       1.02341922 
Hf       7.99684722       2.19676364      -9.37061883       0.55923011      -0.68003900      -0.95548957 
Hf       2.85023227       8.20042089      -4.11452644       0.09885041      -0.26703693       0.33964983 
Hf       2.84390946       7.18088311      -9.48996722       0.43002995       0.64099310       0.75701780 
Hf       8.09522825       8.13835443      -4.19040178      -1.08477771       1.17220799       0.28049309 
Hf       7.87169352       7.22641533      -9.38723842       0.84326437      -0.42577195      -0.49692317 
Hf       0.17697405       0.81388555      -3.72334447       1.04092733       0.96504456      -0.06805195 
Hf       0.16657877      -0.18114816      -8.97970169       0.16125928       0.45495791       0.97471461 
Hf       5.50182433       0.84437645      -3.69025797      -0.50009089      -0.95126852      -0.36322212 
Hf       5.39611212      -0.10991109      -8.98428782       0.01376600      -0.08700411       0.78159053 
Hf       0.24605226       5.91263291      -3.66177293       0.37513511       0.20385894      -0.10033323 
Hf       0.17118240       5.06899045      -8.97564342       0.50866408      -0.40221948       0.04080201 
Hf       5.47735747       5.88538441      -3.69291399      -0.34732828       1.04661092      -0.44979034 
Hf       5.35862726       4.95067968      -9.08246871      -0.17355387       1.01390745       0.91068630 
Hf       2.34637102       1.21173114      -1.03399134       0.39760885       0.24718161      -1.10107773 
Hf       2.39866942       0.44701138      -6.24448474      -0.40252656      -0.71344941      -0.39984260 
Hf       7.60030161       1.22469925      -1.04811673      -0.60167906       0.39855814      -0.72688264 
Hf       7.59220258       0.32142861      -6.35045601      -0.39506135       0.10936114       0.31680962 
Hf       2.35774122       6.34268245      -1.09897947       0.58925580       0.38992697       0.26087815 
Hf       2.36598550       5.45357922      -6.33300561       0.47936271      -0.17882363      -0.77570962 
Hf       7.66405334       6.33467758      -1.13415811      -0.38172297       0.70782778       1.12713592 
Hf       7.54916099       5.48012408      -6.41931780      -0.45550365       0.51436066       0.67334358 
Hf       4.94853322       3.48369369      -1.49957353       0.21458564      -0.19233441      -0.23769170 
Hf       5.08673402       2.56429289      -6.79762720      -1.73756033      -0.65368736      -0.03910741 
Hf      10.17016278       3.39501991      -1.54653393       0.16735749       0.50426986       0.19790299 
Hf      10.12316758       2.62325891      -6.78167640       0.86073371      -0.88855549      -0.30965390 
Hf       5.02960018       8.58648637      -1.61409312      -0.16831693       0.48535495       0.68906054 
Hf       4.93796214       7.66097429      -6.74973939      -0.53272073       1.15923373      -0.40137737 
Hf      10.15287323       8.68399916      -1.55135433       0.00980142      -0.03807085       0.79836606 
Hf      10.23956330       7.67499417      -6.75835764      -0.34390898       1.23951443      -0.28848401 
O       1.27304710       1.50181920      -7.92669694       0.42060869      -0.03562902      -0.29342721 
O       6.54487623       2.39526569      -2.79382240      -0.20058003       0.15118622       1.02711904 
O       6.53335328       1.44429195      -7.97580492      -0.13462428       0.46689748       0.00604187 
O       1.39460805       7.51033692      -2.71838966      -0.34374020      -0.29852992       0.13113080 
O       1.39653482       6.65970318      -8.00393619      -0.38558088      -0.31550923       0.28191672 
O       6.64342048       7.51890727      -2.65099512       0.26881300      -0.24256073      -1.15683595 
O       6.48675915       6.64965211      -7.95015220       0.49820887      -0.66211358       0.06087894 
O       3.94496653       1.54040661      -5.10575541       0.68013609      -0.92610139      -0.09627914 
O       4.02137250       0.63385005     -10.39506105      -0.78052015      -1.29210702       0.14207128 
O       9.11306913       1.53754400      -5.13707278       0.56636365      -0.69377963      -0.21067864 
O       9.11754153       0.60429372     -10.49270683       0.05387798      -0.52918820       1.47850738 
O       3.83646754       6.56995499      -5.13390664       0.98204488      -0.75232577      -0.24832133 
O       3.92263685       7.37402260      -0.00213330      -0.19329262       0.54800641       0.62994007 
O       9.17442912       6.62533662      -5.15191976      -0.15433028      -0.50861501       0.08663288 
O       9.08315298       5.64182649     -10.29384633      -0.73398159       0.83391630      -0.91688142 
O       3.77182639       1.94400428      -2.52878459       0.18910362       0.10661829       0.60458587 
O       3.83291447       0.94449727      -7.80675589      -0.13659184       0.21649993       0.86361708 
O       9.01255186       1.87235399      -2.51946794       0.42123600       0.32245192      -0.34035248 
O       9.03301284       1.04609174      -7.74206840      -0.13306431      -0.21637904      -0.71532474 
O       3.97801255       7.08773942      -2.56790410      -0.59886606      -1.05148791       0.06025925 
O       3.97470688       6.06718490      -7.81669785      -1.30143151      -0.07171154       0.16689211 
O       9.19585859       6.95931524      -2.41989342      -0.25239797       0.76153504      -0.97338715 
O       9.05397422       6.12333224      -7.77444937      -0.05214449       0.24581194       0.53582151 
O       1.27507955       2.80191012      -0.05688996      -0.18047576      -0.33537202      -0.30818750 
O       1.19422362       2.02464541      -5.26458023       0.48819293      -0.83390341      -0.10742190 
O       6.50402917       2.88981748      -0.09114886      -0.04405913      -0.49376482      -0.22717528 
O       6.57371709       1.96353347      -5.28774483      -1.50177752      -0.55403591      -1.39019626 
O       1.13441002       7.92333212      -0.13461466       1.12045187       0.07335993       0.14721717 
O       1.32087633       7.10864453      -5.36081063      -1.06346889      -0.30544968      -0.06368978 
O       6.39079781       7.97457429      -0.08174474       0.36429734      -0.20451176      -0.26154561 
O       6.35715466       7.16693093      -5.35038838       1.32599394      -1.30319120       0.71976689 
O       3.40782506       4.60559765      -0.77226185       0.47129962       0.44984828      -0.89168283 
O       3.35495425       3.61030477      -6.17725054       0.31351195       1.15367009       0.14740707 
O       8.87493562       4.79525749      -0.74320610      -0.67403924      -0.87085505      -0.08637155 
O       8.57301329       3.78574825      -6.17867736       0.38226060      -0.17676133       0.29638377 
O       3.38538742       9.71747532      -0.88477635       0.26348451       0.16107506       0.62023857 
O       3.35906943       8.90138621      -5.93633856       1.17450946       0.65203466      -1.70888197 
O       8.59708666       9.76316249      -0.87545351       0.17466128      -0.39813742       0.66357280 
O       8.67893569       8.96588511      -6.04799181       1.15394638      -1.48846294      -0.01875376 
O       0.65718793       0.30468172      -1.71048891       0.64753206      -0.97459682       0.03029407 
O       0.78616286      -0.73824404      -6.99371607       0.10369605      -0.89497778      -0.39185768 
O       6.16063054       0.03072884      -1.88558049      -0.36328022       0.23975285       0.13494122 
O       6.08635801      -0.84881725      -7.02203321      -0.57882692      -0.15484257      -0.49056955 
O       1.01194959       5.07708555      -1.82280044      -0.69422859      -0.16208536      -0.85025488 
O       0.77011287       4.31794725      -7.03671702       0.51609638       0.96951034      -0.29060018 
O       6.09023058       5.16161771      -1.83062726       0.51750829       0.28813777       0.22438595 
O       6.03291584       4.25701635      -7.08536801       0.61282462       0.87215283      -0.25089699 
O       1.78407049      -0.37359334      -4.27586698      -1.06207536       1.30973144      -0.49390795 
O       1.66680915      -1.40997770      -9.71375275      -0.07940048       0.41017950       0.55023451 
O       6.97314829      -0.44085837      -4.47445583      -0.67679672       0.51819452       0.63020759 
O       6.79492023      -1.39601070      -9.75909522       0.03019617       1.05455020      -0.06338920 
O       1.62444646       4.70184456      -4.55929415       0.38091212      -0.00861534       0.94776132 
O       1.79229638       3.87383893      -9.63627555      -0.70179965       0.74932187      -0.15957740 
O       6.93620341       4.66872568      -4.49576876      -0.66254728       1.92064344      -0.26729990 
O       6.93536647       3.89362680      -9.74892246       0.40409123      -0.75404791       0.39315565 
O       4.38456505       4.25236128      -3.43359080      -1.09051543      -0.57637665      -0.26953357 
O       4.37740759       3.25371307      -8.79425800      -0.03159286      -0.55107819       0.57589110 
O       9.45665967       4.26177026      -3.33527992       0.24202429       0.08990333      -0.54708258 
O       9.55490115       3.32235417      -8.76687835      -0.11405099      -0.13498959       0.79445052 
O       4.26009649       9.46168158      -3.31857664       0.76405547       0.26074226      -0.95754361 
O       4.37020109       8.42677146      -8.64143815      -1.25178413      -0.20549885      -0.78367418 
O       9.53803895       9.39550184      -3.41907249      -0.50341406      -1.24737366      -0.22556021 
O       9.33447219       8.48151058      -8.70671746       1.19689542       0.47731221       0.39845980 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0023393064605627283 0.00356348514631877 0.0023127127445848198 0.00356348514631877 0.0019599952771948478 0.00169623653517239 0.0023127127445848198 0.00169623653517239 -0.0013073985993841812" pbc="T T T" energy=-961.22321043 free_energy=-961.22321043 config_type=crystal 
Hf       2.79860861       2.97961305      -4.09596246      -0.00937731       1.05680091      -0.40473849 
Hf       2.80728596       2.14255730      -9.41492101      -0.06086766      -0.69807588      -0.16667120 
Hf       8.00706701       2.96637782      -4.14052715       0.21672825       0.93187703       0.61216962 
Hf       8.01558071       2.15473727      -9.49445538      -0.06650861       0.43969392       1.65048004 
Hf       2.78761380       8.14655590      -4.19609330       0.46397100      -0.20806630       0.84266193 
Hf       2.73036515       7.25712427      -9.44995569       0.99259916       1.15006989      -0.02018239 
Hf       8.03502158       8.14335754      -4.20851592      -0.04692004      -1.04960853       0.60793740 
Hf       8.04215639       7.27951802      -9.36229229      -0.29327637       0.66960572      -0.74032417 
Hf       0.25021586       0.75331919      -3.65934750       0.21449638       0.59389496      -0.19308630 
Hf       0.20314024      -0.08692048      -8.92944011       0.59853460       0.07474747      -0.20823681 
Hf       5.41535536       0.74906280      -3.68541930       0.13989489       0.28357612       0.29254759 
Hf       5.41789392      -0.08279924      -8.97854694       0.34741694      -0.41376960       0.34833926 
Hf       0.32455707       5.89750022      -3.75782629      -1.45905436      -0.38275542       1.00684404 
Hf       0.20679337       5.01584326      -9.01704293      -0.10839171      -0.70502636       2.02308631 
Hf       5.43273531       5.93186606      -3.72541918       0.64253420      -0.18570438       0.06033624 
Hf       5.31005315       4.99883094      -9.01249586       1.94446589       0.60036635       0.55856481 
Hf       2.36996457       1.31520411      -1.10285786       0.31172661      -1.18018226      -0.02826472 
Hf       2.43398448       0.29376363      -6.34697874      -0.84658960       0.62626285       0.06191475 
Hf       7.62059136       1.29038127      -1.06546496      -0.58207106      -0.70172737      -0.61644207 
Hf       7.60193351       0.31434130      -6.29906688      -0.72204421      -0.04539814      -1.05929069 
Hf       2.35335610       6.38432280      -1.08002885      -0.26665495      -0.08418398      -0.93522696 
Hf       2.36603475       5.48100526      -6.36566422       0.07597537      -0.46349899       0.11340233 
Hf       7.59321158       6.47928514      -1.02130538      -1.12191828      -1.18154636      -0.44324778 
Hf       7.62411752       5.43854507      -6.40540389      -0.34598261      -0.12989155       0.66080590 
Hf       5.04487765       3.52442258      -1.52224471      -0.65411622       0.10773643      -0.55525078 
Hf       4.94667128       2.60599768      -6.73826845       0.40771110       0.01659358      -0.51382257 
Hf      10.15356096       3.47531552      -1.54581390      -0.03096003      -0.21636667      -0.22132513 
Hf      10.18232410       2.54039656      -6.70186554       0.28303313       0.77837262      -0.67398060 
Hf       4.95169239       8.58750164      -1.54773730       0.42295347       0.74507419      -0.15414699 
Hf       4.97140174       7.65348419      -6.85243217       0.86058079       0.87555198       0.44018549 
Hf      10.11245571       8.56488930      -1.52465733       0.05973381       1.04007612      -0.22726455 
Hf      10.17071596       7.64654250      -6.78316338       0.44440654      -0.05209372      -0.30929229 
O       1.32758649       1.56948938      -7.96215269       0.15362934      -0.83114982       0.15660208 
O       6.51783943       2.37943859      -2.71904070      -0.04826527       0.19606202       0.10967538 
O       6.43614137       1.45712915      -7.91379014       1.28180501       0.17630761      -0.37837607 
O       1.22312693       7.55450984      -2.68873559       0.74283930      -0.54311762      -0.87495311 
O       1.28426540       6.55684688      -8.01261787       0.97210957       0.62598159      -0.49161328 
O       6.57411555       7.53490989      -2.66330086      -0.38585949       0.05342583      -1.15345202 
O       6.59835549       6.62288089      -8.07190533      -0.86008977      -0.39677657       0.76028073 
O       3.86986901       1.53740504      -5.13782514       1.03833513      -1.19984150      -0.38916161 
O       4.04185281       0.50267883     -10.44535392      -1.01862944       0.69892789      -0.14930920 
O       9.16799961       1.42140445      -4.99695528      -0.22314283      -0.64586290      -1.79987121 
O       9.15388314       2.32052505      -0.00382536      -0.17975119       0.08284395       1.36952793 
O       4.04442306       6.63560322      -5.11107123      -0.73964692      -0.19295304      -0.72220845 
O       3.90676297       5.70104420     -10.37157733      -0.66045026      -0.40158205      -0.62663851 
O       9.24483168       6.43555783      -5.22838786      -0.79568518       0.78502222       0.71636050 
O       9.20274631       5.70043646     -10.28515542      -1.55707023       0.41485702      -1.56771325 
O       3.81376921       1.96622109      -2.56497517      -0.03136434      -0.28015530       0.64870903 
O       3.85181016       1.09698314      -7.86307452      -0.37058998      -1.28610099       1.34561275 
O       9.06154750       1.86970379      -2.56318692      -0.06713297       0.21017446       0.71044183 
O       9.14414931       1.04670785      -7.81701969      -1.12628863      -0.82075491       0.72911169 
O       3.79363895       7.03099863      -2.58589380       0.19032030       0.13119977       0.89826758 
O       3.88906529       6.14145452      -7.76741661      -0.83558688      -0.47521231      -0.16074177 
O       9.02355757       6.88945836      -2.38814532       1.07780035       1.33234894      -1.32844231 
O       9.10196087       6.12260708      -7.81191546      -0.77847577       0.22705628       0.48804974 
O       1.21862450       2.81464604      -0.08276666       0.61955774       0.24057873      -0.35431137 
O       1.34136849       1.96938236      -5.29133488      -0.96663235      -0.34261643      -0.18992043 
O       6.46228356       3.00509402      -0.05228462       0.12979251      -1.30696459      -0.54139890 
O       6.43549052       1.78804707      -5.35084138      -0.05734091       0.56875667       0.56898406 
O       1.24015091       8.03892601      -0.14173343       0.33073145      -0.63162713       0.14433295 
O       1.28531596       6.98054232      -5.41400124       0.18338062       1.26101597       0.68163543 
O       6.39360828       7.95650061      -0.12228992       0.30598165       0.19998603       0.35828748 
O       6.49902365       7.11980087      -5.46267282       0.68667323      -0.93756612       0.56074025 
O       3.42744900       4.69673578      -0.74847655       1.24367128      -0.50657860      -0.70425672 
O       3.43511860       3.84175736      -6.07364505       0.53680925      -0.91296230      -0.03835949 
O       8.66137537       4.69644504      -0.78166355       0.63428812      -0.15902480       0.13792981 
O       8.60192979       3.59761266      -6.01077395      -0.23102903       1.05695477      -0.41894727 
O       3.48765702       9.76370931      -0.90640966      -1.25092193       0.69456788       0.76799103 
O       3.40932563       8.81017567      -6.04655554       0.54182799       0.82534038      -0.91698962 
O       8.62343230       9.80052835      -0.78102091       0.41666696      -0.53497468      -0.32369023 
O       8.67039892       8.84317847      -6.12599194      -0.07664977       0.16603012       0.72259795 
O       0.77499060       0.12158715      -1.77420331       0.73343812      -0.19266011       0.48619643 
O       0.86521202      -0.90239723      -6.99083765       0.58154222       1.09311215      -0.65452479 
O       6.05399547       0.12162870      -1.77822062      -0.38225938      -0.69655938      -0.58362469 
O       6.09743521      -0.87842212      -7.08318347      -0.17515283      -0.03117836       0.04606869 
O       0.93891298       5.06685773      -1.89526623       0.88850801       1.26460788       0.70165426 
O       0.73441421       4.39002419      -6.98433128       0.69931196      -0.63121110       0.16732535 
O       6.17445421       5.17774274      -1.81176989      -0.70228216       0.23149620      -0.16839163 
O       6.08339210       4.31321821      -7.07786724      -0.41160456      -0.25590115       0.05561994 
O       1.73673490      -0.40885309      -4.45104572      -0.04329006      -0.01498025      -0.07296531 
O       1.82615025      -1.19989461      -9.68513792      -0.61664929      -0.49122974       0.47623827 
O       6.95817224      -0.51234331      -4.41451839      -0.76296292       1.16083386      -0.23458524 
O       6.94278743      -1.25025244      -9.76876321      -0.35271645       0.24783183       1.11981224 
O       1.86822585       4.84151096      -4.34110932      -0.02439191      -0.67029367      -0.67935695 
O       1.65571211       3.81028280      -9.76494447      -0.16560525       0.41615462       0.48966499 
O       6.93452787       4.72868464      -4.43469925       0.03680277       0.33136433      -0.48930272 
O       6.86170739       3.82457922      -9.69898819      -0.10833825       0.41025187       0.20224517 
O       4.31100935       4.26960507      -3.47900079       0.57675757      -0.23302695       0.83865292 
O       4.28313052       3.33172211      -8.66070599      -0.26884663       0.20799372      -0.07868141 
O       9.55137385       4.19538817      -3.36641090      -0.55498292      -0.12414858      -1.25262962 
O       9.39449411       3.40228268      -8.56038151       0.44192207      -0.07641856      -0.59656065 
O       4.24522985       9.43644174      -3.42284220       0.14302194      -0.75494895      -0.36443834 
O       4.30077138       8.42910855      -8.73944389       0.24009998       0.31490044       0.35738252 
O       9.47088439       9.37619465      -3.40503299      -0.14420491      -1.18788151      -0.00686086 
O       9.54754794       8.48621956      -8.66642157      -0.28323629      -0.23531808      -0.25432378 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0008372211918372789 -0.002773964026376086 0.0015501311202256187 -0.002773964026376086 0.007330288457296157 -0.0006879462698997837 0.0015501311202256187 -0.0006879462698997837 -0.005438086679638061" pbc="T T T" energy=-961.82164773 free_energy=-961.82164773 config_type=crystal 
Hf       2.89203502       3.11622388      -4.20070170      -1.07991304      -1.31010809      -0.34482174 
Hf       2.84614722       2.05274338      -9.36698490       0.01262338       0.46385925       0.07912226 
Hf       8.00727523       2.97434300      -4.15676147       0.85914472       0.58125451      -0.56280295 
Hf       7.93003056       2.11195375      -9.38346525       1.55830343       0.39007280      -0.48757719 
Hf       2.84253680       8.12919976      -4.16587504      -0.20734127       0.60183432       0.31114869 
Hf       2.82522168       7.25734817      -9.44497736      -0.07171234       0.83824874       0.37432586 
Hf       7.90645425       8.21521933      -4.18756158       1.98491448      -0.69256496       0.26551665 
Hf       8.02652024       7.18737509      -9.43815954      -0.19128161       0.67794322       0.46363180 
Hf       0.22172318       0.76521091      -3.58639700       0.46022028       0.11725591      -1.53295186 
Hf       0.20449379      -0.08051970      -8.95436609       0.07777826      -1.60481570      -0.41830748 
Hf       5.44167824       0.80779758      -3.68126180      -0.98570581      -0.96903219      -0.46289797 
Hf       5.44545989      -0.06753570      -8.96675195       0.22897559      -1.29509245       0.09242733 
Hf       0.20685010       5.88182433      -3.75987653       0.24646868       1.04986948       0.14793038 
Hf       0.24842904       4.97556753      -8.95963476      -1.21453226      -0.02007164       1.18816233 
Hf       5.44844253       5.96164221      -3.78576352      -0.73765150      -0.12168082       0.45221238 
Hf       5.49967458       5.02761137      -8.98407844      -1.29871401       0.09262434       0.67848767 
Hf       2.28872795       1.21871138      -1.16586252       0.85518708      -0.63495130       1.38416371 
Hf       2.34614285       0.36828534      -6.27892792       0.09189809      -0.33971388       0.26271755 
Hf       7.60487053       1.21377910      -1.10209992      -0.64431495      -0.66653488       1.41541701 
Hf       7.66298917       0.34505221      -6.34166608      -1.32989096       0.34948057       0.08367124 
Hf       2.32013396       6.35394468      -1.02880143       0.98056823       0.24212808      -0.58489317 
Hf       2.40082115       5.62116851      -6.36727385      -0.71831609      -1.32383389      -0.04919633 
Hf       7.49906045       6.38675764      -1.17200683       2.02177517      -0.65205284       0.81202903 
Hf       7.63843316       5.48231408      -6.35576479      -0.56674944      -0.61565269       0.40191276 
Hf       4.92292707       3.50063811      -1.50006359       0.09395912      -0.25541411      -0.06531063 
Hf       4.99988518       2.55417542      -6.76479954      -0.37613741       0.87315800      -0.18556146 
Hf      10.18448913       3.48188567      -1.50605333      -0.48724441      -0.25362092       0.16894194 
Hf      10.20604348       2.53996714      -6.79617518      -0.43576073       0.81288282       0.93098515 
Hf       4.94645901       8.54015337      -1.51960864      -0.74414781       0.39300628      -0.75230550 
Hf       4.97893699       7.77345965      -6.82896588      -0.31514752      -0.19184480      -0.08885129 
Hf      10.16185106       8.52508390      -1.47663868      -0.56965886       0.21286594      -0.83921138 
Hf      10.11650189       7.69785701      -6.85822829       0.77067751       0.54511356       1.04945149 
O       1.25123985       1.41776212      -7.98885462       0.72265217       0.87979528       0.01747357 
O       6.55992937       2.35678025      -2.77057830      -0.62179479       0.00171377       0.90873036 
O       6.52229240       1.55014826      -7.98113123      -0.71366945      -0.64063528       0.21953000 
O       1.43874155       7.48150502      -2.69917033      -1.27111130       0.01814104       0.54237903 
O       1.34968114       6.71577117      -7.91436053      -0.43115689      -0.88938818      -0.56878937 
O       6.53956429       7.54663461      -2.75722765      -0.12126327      -0.48936293      -0.12017072 
O       6.56383550       6.68588242      -8.01863596      -0.50534521      -0.89730514       0.23990683 
O       3.99072383       1.46248225      -5.13090074       0.24048587       0.22597763       0.19849705 
O       3.98586387       0.49649356     -10.34446010      -0.70101514       0.78385395      -0.40588078 
O       9.19431781       1.34059031      -5.10449440      -0.41746774       0.57249451       0.04959806 
O       9.13841927       0.52675401     -10.34927399      -0.17109442       0.12101279       0.13815140 
O       3.91877841       6.53320086      -5.23541706       0.50338984       0.55614528       0.80906199 
O       3.91286821       5.63950661     -10.37946159       0.14690518       0.02277603      -0.20482384 
O       9.12177692       6.62463926      -5.15652207      -0.09786346      -0.32655783      -0.14795997 
O       9.10874656       5.53120886     -10.46902612       0.17771361       1.00948628       0.73495062 
O       3.77605784       1.85298516      -2.45456519       0.68967834       1.18848968      -0.72400445 
O       3.78991434       1.03072826      -7.72012722       0.53118333      -0.00020243      -0.17058270 
O       9.06108472       1.87188118      -2.42027984       0.32555634       0.35267691      -0.81799736 
O       9.01866031       1.00801807      -7.70900532       0.42005142      -0.54694554      -0.69622610 
O       3.86901617       6.96364523      -2.53171540       0.12087959       0.02432116       0.07813205 
O       3.80568234       6.15582559      -7.84321025       0.70747454      -0.12817092       0.46748159 
O       9.11665867       6.85934279      -2.48713202      -0.37151895       1.11079557      -0.23636549 
O       9.04213448       6.04554749      -7.75284537       0.54997465       0.31917252      -0.62770360 
O       1.30410484       2.74897542      -0.09246889      -0.29727693       0.76911698      -0.58280935 
O       1.31709946       2.03724664      -5.32396345      -0.23292307      -0.74554651       0.00923035 
O       6.45694316       2.77478972      -0.06976064      -0.09085647       0.56861252      -1.08393958 
O       6.52004654       1.97214406      -5.35764639      -0.27314763      -0.48331820      -0.00809826 
O       1.18872071       6.20212618     -10.48228889       0.50403908      -0.91188369      -0.78156482 
O       1.22101811       7.17443719      -5.35368588       0.39316209      -0.85215372       0.12649788 
O       6.46429907       7.98560650      -0.13578338      -0.06291867      -0.27389169      -0.20719124 
O       6.45794987       7.06871878      -5.42586449      -0.12598860      -0.07297038       0.60976886 
O       3.50802158       4.71075352      -0.71145569      -0.05061143      -0.71950971      -0.32393890 
O       3.51170619       3.82701073      -6.04213395       0.53149641      -0.12548164      -0.42507753 
O       8.69003669       4.59769941      -0.74578063      -0.64611494       0.61808639      -0.71658425 
O       8.64479786       3.70136083      -6.05072490       0.29310821       0.13381616       0.31730603 
O       3.46756323       9.74036405      -0.87643248      -0.50432937       0.24905980       0.64674721 
O       3.50455019       8.96729737      -5.97938875       0.44201315      -0.33043177      -0.71691601 
O       8.81667183       9.85763779      -0.61072410      -0.16377270      -0.33772517      -1.62860636 
O       8.58538054       8.90692503      -6.03296568       1.07336525      -0.43816653      -0.47214393 
O       0.89017938      -0.02860253      -1.82144292      -0.10742114      -0.33726608       0.21140954 
O       0.94901328      -0.86822547      -7.10179114      -0.91463831      -0.33698886       0.26299888 
O       6.01225152      -0.03209085      -1.85270894       1.54882756       1.20448458       0.54615040 
O       6.13237279      -0.88642609      -7.18239678       0.39897561       0.88335547       1.13092935 
O       0.92200631       5.11647038      -1.85887352       0.32812359       0.21153307       0.33010014 
O       0.90418311       4.27259453      -7.07514443       0.09348177       0.47366860      -0.27181094 
O       5.99272535       5.24383552      -1.78589781      -0.02152294      -0.65033584      -0.38207768 
O       6.17736141       4.24247922      -7.11814360      -0.36735358       0.51414009      -0.03107971 
O       1.79819931      -0.33814477      -4.38519655      -0.83561496      -0.06591116       0.21235380 
O       1.61914918      -1.37286452      -9.73361471       0.21078270       0.28783955      -0.05365422 
O       6.90013517      -0.39928448      -4.46680437      -0.70940766       0.75712387       0.04544841 
O       6.95646272      -1.27677695      -9.66616893      -0.27549384      -0.27663496      -0.61780445 
O       1.71283784       4.71551607      -4.47710345      -0.26870301       0.89718662      -0.09265361 
O       1.65814385       3.75239271      -9.62131736       0.23176200       0.06425554      -0.99322641 
O       6.95603100       4.75862302      -4.39515772      -0.16072951      -0.06246057      -0.09297776 
O       6.95759973       3.89802413      -9.74187584      -0.35956781      -0.44040324       0.00577584 
O       4.26964662       4.30560546      -3.41700156       0.85833535      -0.36722852       0.73676085 
O       4.30028054       3.36019504      -8.70130377       0.21332076      -0.54122778       0.43642900 
O       9.52522751       4.21847463      -3.48682037      -0.20611124      -1.06820129       0.64242189 
O       9.37530511       3.30557170      -8.57817560       0.97342152       0.60461103      -0.61551706 
O       4.33624769       9.29221003      -3.46410939       0.42631868       0.37238843       0.23962755 
O       4.29953722       8.47018679      -8.62694735      -0.28419379       0.51101087      -1.00737900 
O       9.37823891       9.41733583      -3.29514805      -0.12613043      -0.97216181       0.10186830 
O       9.43165812       8.40799807      -8.65329353       0.65204520       0.75804273       0.57750714 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.001539348507512562 -0.002082683679614457 0.0002860063890903582 -0.002082683679614457 -0.005232924273862929 -0.0019671152662471807 0.0002860063890903582 -0.0019671152662471807 -0.005091229521204109" pbc="T T T" energy=-961.78830697 free_energy=-961.78830697 config_type=crystal 
Hf       2.89485526       2.94552976      -4.10214919      -1.13991159       0.82836590      -1.56891598 
Hf       2.77940339       2.13438307      -9.44309051      -0.49515258      -0.24322085       0.44511647 
Hf       7.99162173       2.95901145      -4.25171123       0.87429266       0.76735200       0.84044043 
Hf       7.95777680       2.12156576      -9.38966290      -0.01087165      -0.08792841      -0.33179307 
Hf       2.83807573       8.15531263      -4.09263629       1.05744928       0.21180867      -1.39524704 
Hf       2.82062533       7.25794552      -9.42757653      -0.57912349       0.06876863       0.52316784 
Hf       8.06386836       8.13470989      -4.05642040      -1.21636393       0.06762204      -1.99991455 
Hf       8.04805724       7.28765049      -9.41113051      -1.24987554       1.08147209       0.25571875 
Hf       0.23420172       0.79301512      -3.75853151       0.61852410       0.89657219       0.49462976 
Hf       0.14301181      -0.06860493      -8.96973663       1.41982649      -0.52010915      -0.65902896 
Hf       5.45658956       0.80108466      -3.71541790       0.17274917      -1.73617590      -0.77481907 
Hf       5.39205751      -0.14610752      -9.04140355       0.49443152      -0.52982098       1.35674366 
Hf       0.22865621       5.93057081      -3.71468726       0.06175272      -0.71587508       0.01421692 
Hf       0.18947337       5.02625331      -8.99639205       0.74693331       0.15832698       0.38669076 
Hf       5.45140802       5.90891494      -3.66769221      -0.40255393       0.13451175      -0.51031969 
Hf       5.39401151       5.03974232      -8.94915748       0.61147511       0.29072938      -0.41786472 
Hf       2.47080072       1.17950042      -1.11265805      -1.70066723       0.26049517       0.78459117 
Hf       2.30081612       0.32933871      -6.28723367       1.48819840      -0.29326121      -1.17229719 
Hf       7.61633529       1.32763935      -1.10762701      -0.69869977      -0.61001173      -0.30322992 
Hf       7.60997165       0.24000685      -6.38689010      -0.81503131      -0.82716568       0.11944466 
Hf       2.34517686       6.47639597      -1.11309372       0.72326555      -0.70252473       0.03928761 
Hf       2.34227153       5.44414257      -6.27102339       1.10289172       0.08548881      -0.18375493 
Hf       7.64286161       6.33546782      -1.10079092      -1.14080403       0.32357200       0.69253081 
Hf       7.57160143       5.51751369      -6.33049219      -0.31853297       0.74270634       0.62506630 
Hf       4.88306938       3.44422669      -1.45929969       1.42689091       1.36035708      -0.67568319 
Hf       4.98652233       2.54455233      -6.84586647      -0.64072349      -0.02640153       0.54392065 
Hf      10.18427872       3.52664387      -1.53451916       0.07258587      -0.66578826      -0.34416469 
Hf      10.15177456       2.58479002      -6.83682274       0.75478933      -0.27497075       0.42301421 
Hf       5.04824629       8.60487279      -1.53022568      -0.40138900      -0.07758604       0.01516956 
Hf       4.90018012       7.68018906      -6.81311882       1.45784883       0.66663254       1.39467540 
Hf      10.10150995       8.70127489      -1.53512399       1.29217158       0.23878870       0.10643011 
Hf      10.19893060       7.68511215      -6.74887540      -0.09140495       0.24662193      -0.19012911 
O       1.24523716       1.48822771      -8.08449143      -0.08085921       0.03984553       0.54962447 
O       6.58347648       2.30986087      -2.78442101      -0.42837277       0.38926562      -0.13557515 
O       6.46367316       1.39816503      -8.08684430       0.05636841       0.24732824       0.60149861 
O       1.33280605       7.52015646      -2.79963804      -0.08977851       0.20061767       0.85774569 
O       1.31284827       6.48643597      -7.92987840      -0.29024674       0.66876122      -0.80110413 
O       6.61904579       7.46644296      -2.71378326      -0.57754970      -0.04057335       0.62797601 
O       6.56273964       6.66314563      -8.07876252      -0.94246692      -0.98939005       1.16655234 
O       3.94310054       1.48077804      -5.21004260       0.80831573      -0.34435350       1.11313604 
O       3.89646868       0.56647368     -10.37605657      -0.18951474      -0.24508435      -0.22416354 
O       9.18771270       1.37537988      -5.18862613      -0.45132247       0.52527229      -0.24149612 
O       9.06215024       0.61591670     -10.36171854       0.21934900      -0.34684129      -0.65237813 
O       3.97227513       6.55029241      -5.19383390      -0.25955975      -0.11425613       1.22839438 
O       3.95225106       5.75216975     -10.40458036      -0.04688009      -1.03560056       0.36288047 
O       9.10994259       6.57017737      -5.04561667       0.65020875      -0.18032452      -0.29774593 
O       9.08201098       5.79227396     -10.42692392       0.63943612      -0.64196557       0.58276777 
O       3.84956648       1.92116970      -2.48569880       0.29090738      -0.69354606      -0.37993852 
O       3.71232201       0.98487342      -7.78755379       0.82998561       0.03000476       0.09567042 
O       9.06103142       1.85590171      -2.58396117       0.60527356       0.54357131       0.28432135 
O       9.02267876       0.99263959      -7.80501763      -0.06809366       0.10010259       0.19255386 
O       3.89748932       7.05451519      -2.52252466      -0.28123618      -0.43679090       0.24604814 
O       3.79312047       6.19029387      -7.76919593       0.40944365      -1.24292455      -0.19912553 
O       9.09303726       6.98583358      -2.48169440       0.36907223       0.75349358       0.15025575 
O       8.98036054       6.23371606      -7.70230101       0.95098252      -0.76241470      -0.72964457 
O       1.20580600       2.79909872      -0.16058776       0.66003612      -0.22466352      -0.22322612 
O       1.28202671       1.89552456      -5.41507955      -0.44993927       0.42710863       0.49894622 
O       6.36234254       2.75264325      -0.13268413       0.45119329       0.80491638      -0.45122181 
O       6.55712597       1.81940000      -5.46265948      -0.57810699       0.80136244       0.50791603 
O       1.25078745       7.96423726      -0.11946936      -0.52157044       0.22376990      -0.16442061 
O       1.31301690       7.11564438      -5.37385246      -0.44829515      -0.57108447       0.40769510 
O       6.42060456       8.04326813      -0.05668541       0.77218361      -1.02598026      -0.37368313 
O       6.47544256       7.05481970      -5.27519747      -0.16203313      -0.44739638      -0.73049779 
O       3.57002743       4.74910819      -0.76945872      -0.86831457       0.15067135       0.26754852 
O       3.58844922       3.83532469      -6.01704270       0.15866352      -0.48382425      -0.07126495 
O       8.79733955       4.73090178      -0.77688841      -0.74397559      -0.02465302       0.58623268 
O       8.76286621       3.83347251      -6.05690649      -0.32612719      -0.27110454       0.39871223 
O       3.46575189       9.73357909      -0.84450860       0.35594329       0.29037730       0.07188541 
O       3.55338447       8.92123581      -5.95878314      -0.53423590       0.49582667      -0.39588388 
O       8.73645419       9.94267378      -0.79242423       0.11293719      -0.61962412       0.00169110 
O       8.67249943       8.80463299      -6.04391537       0.35520032       0.50757427       0.32022760 
O       0.95358532       0.11921489      -1.80368192      -1.21506558      -0.97518707      -0.61387310 
O       0.89489377      -0.89266530      -7.00429772      -0.42901088       0.34541598      -0.75278610 
O       6.08829331       0.02447186      -1.80369473       0.49395759       0.78753251      -0.37947667 
O       6.19354762      -0.97896100      -7.12068925      -0.69750023       0.49327232      -0.78187663 
O       0.92601062       5.21915972      -1.82043119       0.04426258      -0.29239325      -0.21628586 
O       0.96639562       4.20927674      -7.01889784      -1.16095910      -0.42537905      -1.34870439 
O       6.17282646       5.12264040      -1.69556117      -0.87914561      -0.13881210      -1.36565696 
O       6.23625932       4.23229589      -7.05837017      -1.31223217      -0.19940964      -0.90774174 
O       1.75435362      -0.37167828      -4.41279010      -0.07202709      -0.50121134       0.44928336 
O       1.74282476      -1.34202550      -9.70158530      -0.50807057       0.71276952       0.31468249 
O       6.79975712      -0.53124122      -4.55991684       0.50093297       0.65332728       1.01466222 
O       6.95751474      -1.21185892      -9.76829363      -0.11605696      -0.92275843       0.64693081 
O       1.64514549       4.63727247      -4.44432136       0.11416314       0.33458891       0.18039234 
O       1.64199827       3.84066761      -9.78350184       0.10342134       0.07392189       0.43726061 
O       6.86587577       4.71229290      -4.40931083       0.64455117      -0.91382208      -0.41641872 
O       6.83306820       3.74781562      -9.70084984      -0.08613212       1.26264722      -0.13337624 
O       4.25843352       4.19968993      -3.37540349       0.76357455       0.63152131       0.42490233 
O       4.27833613       3.27358362      -8.67204211       0.42446678       0.98562711       0.17515398 
O       9.44369112       4.26495026      -3.32027311      -0.20342667      -0.34851054      -0.98310117 
O       9.47612474       3.33756836      -8.76697958       0.04849229       0.13521495       1.07374527 
O       4.35649183       9.33913778      -3.40823998      -0.08950414       0.64607596       0.03682845 
O       4.32723348       8.39812231      -8.64785328      -0.17955727       0.93492085      -0.97836222 
O       9.47570715       9.41343147      -3.38661056      -0.01152854      -0.42973925       0.16509814 
O       9.52247886       8.50716709      -8.69501644      -0.04346636      -0.52639134       0.42402047 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002318967710404379 0.0018141015492715896 0.002026361867881277 0.0018141015492715896 -0.0010570328065044252 0.0005624765823570804 0.002026361867881277 0.0005624765823570804 -0.005940983101630339" pbc="T T T" energy=-961.20148091 free_energy=-961.20148092 config_type=crystal 
Hf       2.76662572       2.96552999      -4.13445540       0.55989910      -0.36172106      -0.34479756 
Hf       2.76249994       2.16536142      -9.43579008       1.04708131       0.10367895       0.15223962 
Hf       8.00100708       3.05781430      -4.19210319      -0.49934643      -0.57043866       0.49904927 
Hf       8.01341018       2.12348127      -9.34351241       0.17569984       0.45930431      -0.69652217 
Hf       2.84248371       8.12689896      -4.20896461      -0.84170831       1.15374509      -0.04724736 
Hf       2.78718998       7.23595898      -9.39182697       0.54682692       0.30241785       0.76299609 
Hf       7.99083228       8.15531053      -4.12643473       0.61516636       0.39797524       0.58200844 
Hf       8.01776922       7.25228951      -9.29942896       0.22493011       0.78090251      -1.44306828 
Hf       0.26818754       0.87601684      -3.77150730      -0.33623039      -0.95254742      -0.72176649 
Hf       0.26897907      -0.12508072      -9.01480525      -0.50769478       0.04242158       1.49585432 
Hf       5.38852357       0.74306007      -3.77980108       0.55899918       0.75331923       0.51417501 
Hf       5.43442862      -0.14116978      -8.97050307       0.24945349      -0.23965448       0.42908656 
Hf       0.26340000       5.91166238      -3.67784680      -1.28951556       0.95108394      -0.76640152 
Hf       0.24680431       5.09416146      -9.01321588      -0.70890297       0.09158973       0.30461820 
Hf       5.37779185       5.91124064      -3.67918594       1.30500965       0.92782156      -0.24955155 
Hf       5.39789572       5.07411881      -8.97814330      -0.33580767       0.24858170       1.30880477 
Hf       2.40624862       1.18867481      -1.07477089       0.47674486       0.67891220      -0.33626514 
Hf       2.43564287       0.29569179      -6.42603765      -1.56243189       0.16564441       0.38255691 
Hf       7.60711848       1.24972492      -1.10582595      -0.56252425      -0.42306413       0.01520460 
Hf       7.49227018       0.25128873      -6.31935989       0.60615389       1.24143884      -0.28622222 
Hf       2.41931504       6.37240192      -1.15054605      -0.40828800       0.39915394       0.49460245 
Hf       2.39806440       5.36446821      -6.28722411      -0.93367826       1.20980359      -1.01624667 
Hf       7.57381509       6.35513025      -1.01328808       0.97029019       0.69587695      -0.44401953 
Hf       7.56096904       5.49614971      -6.33340254      -0.46670131       0.56117369       0.35085207 
Hf       5.02352009       3.49143433      -1.54460728       0.34495908      -1.04416278       0.16819102 
Hf       4.92327743       2.57567401      -6.82444507       0.98965017       0.06916638      -0.14655963 
Hf      10.22819435       3.41142383      -1.58464486      -0.90850484       0.78513823       0.66238920 
Hf      10.10384070       2.57289189      -6.79853330       0.84185029       0.69536122      -0.03781037 
Hf       5.02824632       8.62778168      -1.49119784       0.58375086       0.12349853      -0.49045397 
Hf       4.97103788       7.64341138      -6.72674941      -0.02938580       0.44205261       0.30762590 
Hf      10.18569087       8.77904061      -1.52400912      -0.65865573      -1.96634293      -0.34961272 
Hf      10.14705258       7.68929578      -6.79327492       0.45533192       1.29690829       0.87608458 
O       1.33359073       1.50299001      -8.01366730      -0.19318869      -0.18336369      -0.14722585 
O       6.52043524       2.33965410      -2.74610438      -0.22704592       0.47364600      -0.42651222 
O       6.41676680       1.55427037      -8.04893068       0.95792312      -0.88855334      -0.06435893 
O       1.36287016       7.51763685      -2.76761945       0.51136913      -0.21227750       0.10555055 
O       1.26337779       6.73675094      -8.03213530       0.74296136      -0.74245838      -0.11693263 
O       6.52446719       7.57473348      -2.79337497      -0.40193446      -0.48471619       1.95658760 
O       6.56551042       6.79944843      -7.96942886      -0.54695496      -1.30420624       1.38659061 
O       3.82017275       1.25520322      -5.13372635       0.59808684       1.17685100       0.43230145 
O       4.12191460       0.58287007     -10.36661381      -1.08535661      -0.22091134      -0.08207058 
O       9.16627980       1.56203853      -5.09409178      -0.13486433      -0.46831255      -0.62058611 
O       9.26742548       0.65015770     -10.33080986      -0.62138302      -0.16349871      -0.86201278 
O       3.91971125       6.56483358      -5.06491717      -0.30755032      -0.30855762      -0.13757612 
O       3.88470822       5.68441204     -10.28959885       0.05222461      -0.32030573      -0.84250137 
O       9.00186336       6.61045962      -5.08405721       1.15869331      -0.52394576       0.00631861 
O       9.07682217       5.70687661     -10.31956584       0.48204183       0.12305525       0.12658414 
O       3.77298107       1.91321099      -2.48889832       0.08816453       0.04861294      -0.45144208 
O       3.86411860       1.05785729      -7.76887850      -0.40938393      -0.66534791      -0.54153381 
O       8.99904260       1.82416512      -2.53075366       1.42243197       1.00976605       0.27095100 
O       9.04430959       1.03841485      -7.72031266      -0.72611878       0.18004565      -0.34711809 
O       3.94864521       6.95058108      -2.44660008      -0.44538486       0.69847561       0.13234729 
O       3.90018311       6.07132159      -7.61072467      -0.67963572      -0.18791324      -0.77271238 
O       8.99910827       6.99798269      -2.43562067       0.90653438       0.55359426      -0.42099594 
O       9.08897767       6.19960426      -7.68039080      -0.75157610      -0.78601514      -0.67045331 
O       1.35363693       2.78179338      -0.08160309      -0.01533264       0.11003643      -1.41154102 
O       1.29989147       2.07523093      -5.41605862      -0.52368347      -0.95842090       0.60797760 
O       6.63293190       2.79011836      -0.11451035      -0.71621083       0.82423604      -0.16986798 
O       6.34338409       1.88819681      -5.42068077       0.36488253       0.29446001       0.35781679 
O       1.32565493       8.06798509      -0.15045858      -0.51007484      -0.68419205      -0.19706543 
O       1.24176857       7.06154501      -5.37713988      -0.07515754      -0.64510936       0.38194397 
O       6.40132630       6.30144399     -10.45034411      -0.07449791      -0.82833518      -1.61672983 
O       6.39248894       7.17267475      -5.22424601       0.16102358      -0.98757118      -1.10130507 
O       3.47533122       4.59102080      -0.84341770      -0.36644963       0.86376266       0.19536131 
O       3.39935614       3.65978330      -6.11477521       0.13307549       0.08040299       1.02363117 
O       8.73829607       4.71790207      -0.87015733      -0.09584912      -0.58572316       0.60897720 
O       8.59848083       3.79763740      -6.09131659       0.47688857      -0.32988375      -0.12670435 
O       3.47719877       9.75188719      -0.81980745       0.22647223       0.26829739      -0.09871819 
O       3.35510533       8.80596399      -6.17468189       0.34764593      -0.22993262       0.65182721 
O       8.69093867       9.79677569      -0.78552083      -0.20891596       0.59666595       0.39178366 
O       8.61837711       8.91031593      -6.06504896       0.22066532      -0.32121212       0.15483699 
O       0.90743704       0.13218700      -1.89107587       0.53455621       0.41229993       0.30101003 
O       0.76425098      -0.83761937      -7.07662817       0.88571798       0.60387267      -0.40010998 
O       6.10937221       0.08188682      -1.83777070      -0.72086142      -0.74437863       0.04005616 
O       5.93297014      -0.80088787      -6.89440774       0.09389938       0.15341259      -1.09853148 
O       0.99236076       5.11900996      -1.92171836      -0.17249301      -0.45916349       0.19411294 
O       0.84657173       4.32072027      -7.11055692       0.40257612       0.23452288      -0.15213605 
O       6.14965112       5.15456847      -1.80266021      -0.38980470       0.26020096      -0.21308439 
O       6.04359135       4.35348207      -7.09400454      -0.05556318      -0.00368132       0.16038103 
O       1.67276466      -0.39998590      -4.61037677       0.07317887      -0.14630904       1.38693854 
O       1.72110436      -1.32952714      -9.74310703       0.10427641      -0.06053921       0.35283793 
O       6.98882371      -0.30644139      -4.43022947       0.02258826      -0.40088116       0.52128568 
O       6.92070878      -1.30038208      -9.73844215      -0.36791392       0.15472090       0.83024577 
O       1.65986282       4.66854415      -4.48991385       0.48023784       0.02431370       0.52398151 
O       1.58819483       3.84993430      -9.84921513       0.85720167      -0.55854789       0.35831199 
O       6.82722782       4.68663957      -4.51428308       0.08163783       0.50560915       0.25130445 
O       6.83538441       3.86470159      -9.61786645       1.01228371      -0.60491346      -0.99045388 
O       4.32790490       4.23500800      -3.42795798      -0.82921217      -0.99736514      -0.07385600 
O       4.25051736       3.38296529      -8.68896611      -0.38012278      -0.11226742      -0.32694559 
O       9.54856837       4.17408770      -3.48271968      -0.09154282      -0.12624658       0.45322980 
O       9.45393169       3.48270654      -8.72086626      -0.46687534      -1.47459269       0.63304820 
O       4.46571814       9.25546205      -3.52029833      -1.24359862      -0.39535529       0.23292011 
O       4.34998397       8.35689720      -8.55584642      -0.37091891       0.98735470      -1.80697025 
O       9.52858264       9.40506477      -3.35607465      -0.19160678      -0.15960725      -0.78270170 
O       9.41752410       8.55978835      -8.68645805       0.46510027      -0.31584658       0.15496914 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0007825112560773675 -0.0043985798123062966 0.0004388253584982034 -0.0043985798123062966 0.0016307685283133049 -0.002159014552510939 0.0004388253584982034 -0.002159014552510939 -0.0022577642770706444" pbc="T T T" energy=-961.35189683 free_energy=-961.35189683 config_type=crystal 
Hf       2.78989042       2.96031742      -4.11987271       0.59498016       0.90477336      -1.02031215 
Hf       2.81209905       2.08982128      -9.30771140       0.23098508       0.75109710      -1.86712397 
Hf       7.95108971       2.93154480      -4.24656867       0.95702941       0.90644623       1.55416797 
Hf       8.02057626       2.25299191      -9.40276343       0.42211843      -1.70776550       0.38118732 
Hf       2.82450569       8.13509763      -4.17116261       0.65051542      -0.06679595      -0.37858441 
Hf       2.89265137       7.30335392      -9.49690202      -1.21025021      -0.16937674       0.62371242 
Hf       8.08784147       8.23074310      -4.05055646      -0.95988562      -0.24055835      -1.63209024 
Hf       7.98227701       7.23306127      -9.44501254       0.83970295      -0.30339712      -0.36269532 
Hf       0.23347003       0.79615781      -3.69759305       0.77882148       0.86612490      -0.34732638 
Hf       0.19242889      -0.12558808      -9.00226356       0.30378234       0.40352640       0.16224676 
Hf       5.39040535       0.78503774      -3.65413869       0.37127361      -0.12525652      -1.22839447 
Hf       5.51626881      -0.10449695      -9.01592199      -1.38023994       0.59929182       0.95386902 
Hf       0.15577889       5.89958363      -3.68787686       0.17772338      -0.71634936      -0.30671306 
Hf       0.19116719       5.03245218      -8.97837232       0.96204118      -0.14987118      -0.68716137 
Hf       5.40068458       5.90734752      -3.75188349       0.53000440      -0.01487483      -0.13829026 
Hf       5.37434985       4.97013912      -8.97571829      -0.33118098       0.30664623       0.27653253 
Hf       2.39485120       1.27841678      -1.10494831      -0.70570387      -0.21913504      -0.12190225 
Hf       2.37542810       0.32467360      -6.31984817       0.67728993      -0.29535905      -0.78996436 
Hf       7.55296914       1.23387669      -1.05705966       0.93689715       0.93352162      -1.36003935 
Hf       7.62650988       0.23889541      -6.37558675      -0.03202801       0.88755893       0.24571808 
Hf       2.37987068       6.50009590      -1.08880576      -0.71067777      -2.06334027      -0.03619291 
Hf       2.27084126       5.43205091      -6.35263845       1.48281235      -0.23188103      -0.04410104 
Hf       7.56209889       6.40423024      -1.09462918       0.29515533      -0.82207278       0.02696103 
Hf       7.58173800       5.52417373      -6.36778996       0.56564455      -0.54055305       0.66575465 
Hf       4.92251811       3.52853861      -1.42787186       0.30043890      -0.04444683      -1.41710696 
Hf       5.06778680       2.51072190      -6.72867144      -1.40136917       0.67289982      -0.46544734 
Hf      10.13800482       3.49955496      -1.52533409       0.04757989      -0.02183064      -0.23457052 
Hf      10.19473198       2.61651325      -6.75477967      -1.36749071      -1.05175632      -0.58178008 
Hf       4.98700911       8.57701292      -1.54140901       0.05366244       0.58974293      -1.11260354 
Hf       4.98482434       7.65895001      -6.82239766      -0.55264690       0.46253051      -0.09551650 
Hf      10.17326886       8.56861565      -1.53389606       0.45590018       1.53198370       0.31170138 
Hf      10.18470639       7.72015024      -6.81154961       0.13997431      -0.69274057       0.05877518 
O       1.36315486       1.49800967      -8.06820114      -0.86196090      -0.67166151       1.03136400 
O       6.51726339       2.33425201      -2.79133659       0.22291343       0.18396625       0.92899907 
O       6.56045055       1.47677370      -7.96223522       0.05284014      -0.13592601      -0.26852510 
O       1.33252977       7.48361720      -2.73501650       0.12085817       0.54797955      -0.46330454 
O       1.32699767       6.53908904      -8.09166869       0.16219556       0.73260270       0.91352558 
O       6.59919357       7.49330450      -2.74845063      -0.36313142      -0.14597349       0.23427127 
O       6.57797108       6.55047965      -8.12906568      -0.69637452       0.25840518       1.43262718 
O       3.87058989       1.33548725      -5.13380668       0.88587242       0.75015667       0.49092677 
O       3.94029329       0.52838615     -10.40292483       0.31412078       0.17868286       0.40416142 
O       9.11976432       1.35230847      -5.16636101       0.29352731       0.58159541       0.05899403 
O       9.13980284       0.53640503     -10.40503482      -0.51564689       0.10730448       0.12309984 
O       3.82415483       6.50540299      -5.13918098       1.03481501      -0.10953596      -0.16615009 
O       3.92187524       7.44365837      -0.02950381       0.78188202       0.65708684       1.18914304 
O       9.16038279       6.59335278      -5.14135828      -0.52083572       0.31170700       0.36029353 
O       9.16397950       5.72175566     -10.35357061      -0.57855457       0.35806250      -1.02733288 
O       3.83031835       1.92747040      -2.56138575      -0.28866243       0.07069186       0.69445549 
O       3.90111086       0.98936914      -7.73238466      -0.13165886      -0.22703971      -0.04248730 
O       9.12913866       1.91252628      -2.52643666      -0.32188582      -0.13629255      -0.10794808 
O       9.10429099       1.00811437      -7.79577942      -0.05528073      -0.02210491       0.12133600 
O       3.91218328       7.03459529      -2.53420436      -0.39472672       0.02738364      -0.16235524 
O       3.78326600       6.03532343      -7.89616312       0.78946662       0.67680556       0.85116873 
O       9.09611103       6.99143569      -2.44485226      -0.27558124       0.98210921      -0.47814308 
O       9.11330759       5.98208201      -7.76852074      -0.58129960       1.42491954       0.67191448 
O       1.22197246       2.77828804      -0.10664646       0.38061758       0.23574847      -0.66910925 
O       1.27432625       1.92378819      -5.46154736       0.10768525      -0.21839028       1.37785909 
O       6.52824095       2.88672258      -0.09860217      -0.78251302      -0.42064328       0.00824512 
O       6.49110780       1.91839379      -5.36626789      -0.61676524      -0.17810108      -0.40717537 
O       1.26864193       8.08124234      -0.15051203       0.07750914      -0.73406942      -0.17714055 
O       1.26063184       7.05572153      -5.44265429       0.10435129      -0.25051827       0.49788258 
O       6.47471160       7.97808189      -0.17097010      -0.34686299      -0.21962012      -0.07395196 
O       6.46817673       7.12647413      -5.39173927      -0.40305450      -0.39151894      -0.45408417 
O       3.53957213       4.75931402      -0.72247521      -0.25719740      -0.36282942      -0.38585498 
O       3.51453900       3.75114503      -6.00766095      -0.05388547      -0.05456456      -0.00350043 
O       8.84609881       4.78917708      -0.66301807      -1.09311959       0.14304351      -0.18215077 
O       8.74290614       3.78770866      -5.92136809       0.44298135       0.22159351      -1.28404476 
O       3.40953831       9.79297740      -0.95461942       1.02276056      -0.64050091       0.49619861 
O       3.49972535       8.82372999      -6.10416805      -0.27126018       0.29105090      -0.10990716 
O       8.62136452       9.83019277      -0.95074995       0.57532208      -1.07043342       0.99592964 
O       8.73162394       8.86263218      -5.96368796      -0.25209589       0.35832908      -0.72234339 
O       0.95505711       0.03378489      -1.84521267      -0.61911634       0.10326662      -0.07274394 
O       0.83509908      -0.81881884      -7.03972848      -0.11097922      -0.23491621      -0.38375278 
O       6.08244721       0.05247598      -1.79654887      -0.77734306      -0.40464943      -0.11929232 
O       6.06591490      -0.87751073      -7.12707130       0.47206970      -0.27382317       0.14909628 
O       0.81442727       5.21616210      -1.82785447       1.05087121      -0.00655808       0.24532814 
O       0.96292869       4.16952785      -7.20614543       0.21728138       0.49471424       0.60914092 
O       6.15136126       5.08251619      -1.79345372       0.59934267       1.38620591      -0.13735198 
O       6.16502803       4.26435171      -7.06008985      -0.90341134      -0.19663003      -0.69719886 
O       1.79852952      -0.43050231      -4.45305984      -0.79974592       0.46432817       0.22179166 
O       1.78544398      -1.27191691      -9.65485161      -0.20195922      -0.13068671      -0.02253431 
O       6.94430109      -0.31593122      -4.51318251       0.20466446      -1.07194545       0.91925275 
O       6.89747712      -1.34871083      -9.71922733       0.35956914       0.29103052      -0.26709502 
O       1.49910979       4.57155090      -4.42758584       0.92864052       0.29624789      -0.90265413 
O       1.69767529       3.84599693      -9.76330648      -0.13548646       0.11424532       0.19746589 
O       6.88334029       4.73063181      -4.55113509      -0.50120984       0.08938804       0.61122514 
O       6.95240635       3.93587004      -9.62735688      -0.20388557      -0.17593125      -0.98126806 
O       4.32585552       4.28309118      -3.38943584      -1.09661709      -1.17866734       0.18509765 
O       4.32085935       3.27162560      -8.70182975       0.62040939       0.32898201       0.70521045 
O       9.35047075       4.29297139      -3.38246566       0.00350879      -0.46739128       0.56585516 
O       9.35823489       3.43905383      -8.60299215       0.97113964      -0.29044919       0.80498245 
O       4.46517130       9.28098366      -3.57276545      -0.68335063      -0.52023796       0.91301851 
O       4.39150878       8.45083022      -8.75170459      -0.09141009      -0.41378563      -0.03391583 
O       9.48094043       9.51235200      -3.41439269      -0.32626587      -2.13755505       0.58397165 
O       9.47855243       8.39457964      -8.70050017       0.18516852       0.48458433       0.04132248 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005271993730492963 -0.0004724038474747415 0.002135502606629972 -0.0004724038474747415 -0.01185464331673763 0.0028344796266796205 0.002135502606629972 0.0028344796266796205 -0.003503814746215026" pbc="T T T" energy=-961.61979675 free_energy=-961.61979675 config_type=crystal 
Hf       2.81494641       2.92069773      -4.17412230      -0.02492574       0.92937207       0.03709150 
Hf       2.86170492       2.17100056      -9.50939477      -0.73397455      -1.15272134       1.30718099 
Hf       7.98721157       3.07830519      -4.14760097       0.20547994      -0.54229833      -0.16159454 
Hf       7.96871830       2.11786334      -9.50441697       0.05558928      -0.50059991       1.69770952 
Hf       2.82558981       8.14435288      -4.26815126      -0.57750565       0.21736560       0.87971711 
Hf       2.81066966       7.28705722      -9.35043251      -0.35341825      -0.93732342      -0.19079585 
Hf       7.97876291       8.15217068      -4.12871305       0.73369347      -0.79872510       0.00535252 
Hf       7.98772797       7.35563876      -9.39716473      -0.93296670      -1.05950200       0.11327191 
Hf       0.21703685       0.76310361      -3.78748089       0.08962142       0.31212208       0.16098470 
Hf       0.29404847      -0.14925042      -8.95238022      -1.36034106       1.11004441      -1.61963090 
Hf       5.44405419       0.71806940      -3.75302480       0.50025165       1.02057295       0.31061392 
Hf       5.41486494      -0.14460567      -8.85934314      -0.79308196       1.16607248      -0.71218487 
Hf       0.19229371       5.93477193      -3.69517770       0.64966303      -0.07264070      -0.15700120 
Hf       0.14353133       5.09239691      -8.95362170       1.37856343      -0.54185599       0.55454610 
Hf       5.37935849       5.93002594      -3.64762234       0.57676795      -0.34389340      -0.06288776 
Hf       5.48822343       4.97911548      -8.94318024      -1.40827062       1.25607686       0.03969302 
Hf       2.36885551       1.22616402      -1.13148172       0.50349629       0.56760870       0.08365658 
Hf       2.37538643       0.33518709      -6.39728222      -0.21067154      -0.02921225      -0.49000662 
Hf       7.59807435       1.25779374      -1.07887631      -0.43050588       0.18818541      -0.31368507 
Hf       7.62801783       0.29526019      -6.30424745      -0.27196202       0.80504515      -1.43703362 
Hf       2.37917255       6.39883377      -1.07271656      -0.28893740       0.30244909       1.41533736 
Hf       2.35942684       5.39131234      -6.31722103       0.14630342       0.27595663       0.24379656 
Hf       7.67278815       6.46413814      -1.08380686      -1.14192213      -0.36286024       0.46717425 
Hf       7.57298885       5.46741782      -6.30712020      -0.43538201       0.66505369       0.12157938 
Hf       5.00848585       3.50085332      -1.55395826      -0.10467318      -0.70246634       0.18808037 
Hf       4.96668050       2.57613769      -6.79308213       0.16466607      -1.02181784      -0.15017827 
Hf      10.14711004       3.50061671      -1.48441184       0.63535642      -0.36994344      -0.42008279 
Hf      10.12299521       2.56755785      -6.83904256       0.44133513      -0.47881563      -0.23337676 
Hf       4.93469481       8.58072215      -1.54694618       0.43505241       0.69372668       1.71894566 
Hf       4.93451069       7.65831812      -6.80637430       0.84546652      -0.43270574       1.22159108 
Hf      10.26167821       8.69104928      -1.50739856      -0.83704260      -0.73802402       0.38217418 
Hf      10.14381653       7.69380166      -6.80433697       0.33277381      -0.23391547       0.24008640 
O       1.35210686       1.39570830      -8.05232362      -0.22598317       0.63418432       0.07628116 
O       6.56002829       2.41903094      -2.72281797      -0.10989714      -0.96678317      -0.07367338 
O       6.51804318       1.40464851      -7.98944150      -0.32462657       0.57648692       0.04443787 
O       1.48993214       7.62033738      -2.63205584      -0.31975118      -0.25806847      -0.82396257 
O       1.36543844       6.59488891      -7.93664193      -0.62191615       0.07821177      -0.08158212 
O       6.60695543       7.43911480      -2.64487433      -0.00648900       0.70404007      -0.31782552 
O       6.49632549       6.62391875      -7.88364643       0.26598022      -0.19448196      -0.63593433 
O       3.94703607       1.40014375      -5.11264285       0.19010134      -0.55634406      -0.23337204 
O       3.95952915       0.51167202     -10.41052295       0.63213858      -0.00308737       0.24902431 
O       9.18320653       1.38746843      -5.24508820      -0.13682704       0.33685580       0.75264140 
O       9.19818456       0.51968157     -10.37739035      -0.48204155       0.50811274      -0.71180686 
O       4.01595147       6.60796000      -5.12009806      -1.27208196       0.13438371       0.42302004 
O       3.88615611       5.70707403     -10.26095220       0.42436802       0.00961362      -0.49064721 
O       9.02117736       6.47277402      -5.10355502       0.85626342       0.49712229       0.51971425 
O       9.08279732       5.71924984     -10.31440417      -0.00422467      -0.10132390      -0.49511051 
O       3.76810189       2.05702782      -2.51533365      -0.02335073      -1.42988664      -0.05228487 
O       3.82030969       0.92048631      -7.78861813       0.46582710       0.73122696       0.34364622 
O       9.14276210       1.88842321      -2.47243971      -0.54181550       0.11585442      -0.54066596 
O       8.93037169       0.97054912      -7.88298206       1.10500697       0.20800355       0.79848285 
O       3.94204810       6.95936475      -2.30492766       0.29357386       0.01947380      -1.75858817 
O       3.82642459       6.02417035      -7.63760659       0.64386048       0.75010671      -0.69309654 
O       9.24434884       7.09947005      -2.41581467      -1.31915307      -0.80422918      -0.61323524 
O       9.02958404       6.21036596      -7.77042618      -0.11356388      -0.88992235       0.51412563 
O       1.33323548       2.80658866      -0.19235192      -0.73106490       0.39196095      -0.61432352 
O       1.32218540       1.85218074      -5.49336214      -0.63527154       0.55721228       1.25817029 
O       6.52684470       2.89161565      -0.10770975      -0.56097688      -0.73136797      -0.28056686 
O       6.49231609       1.87761417      -5.34596112      -0.18621017       0.24393984       0.02014193 
O       1.20759365       6.16850076     -10.49729517       0.07501226       0.12893655      -0.81511292 
O       1.16868438       6.99810775      -5.35340803       0.55958641       0.35204446       0.42072835 
O       6.45463984       7.96714090      -0.04221928      -0.48016190       0.09366696      -0.73745074 
O       6.42719990       7.02358426      -5.27632723       0.16866992       0.43184128      -0.29977904 
O       3.44942468       4.62616316      -0.83529340      -0.09793287       0.74558544      -0.46175007 
O       3.46932231       3.67673596      -6.04759352       0.00726598       0.31304821      -0.25025801 
O       8.50666959       4.59793921      -0.91945380       1.23065103       0.08355659       0.16909537 
O       8.63640624       3.74486984      -6.08606651      -0.10540107      -0.03429901       0.53563223 
O       3.41418039       9.77879875      -0.77871939       0.77165910      -0.41497937      -0.61955622 
O       3.44654595       8.90454393      -6.12151606      -0.23758849      -0.38312861       0.54048592 
O       8.62146344       9.81951158      -0.74044749       0.68995181      -0.14753807      -0.69325263 
O       8.67667445       8.81079185      -5.99901603      -0.00050574       0.57044567      -0.46498741 
O       0.81037340       0.08297421      -1.80754225       0.79304197       1.02721081      -0.35128974 
O       0.84191833      -0.88749076      -7.21283462       0.86098871      -0.48248197       2.30264255 
O       6.09692972      -0.02048073      -1.86910098       0.08252670       0.65926842      -0.18858283 
O       6.07125021      -0.85493126      -6.95334794      -0.36925424      -0.58383296      -0.69406315 
O       0.80173761       5.32307194      -1.74470044      -0.32649347      -1.11558800      -0.23773735 
O       0.92123234       4.23061365      -6.98253820      -1.10985750      -0.08376979      -0.80281931 
O       6.08187699       5.13200902      -1.75277949       0.31937264       1.36120976      -0.17970811 
O       6.12026986       4.20010085      -7.10886444       0.19676370       0.35982411       0.61705877 
O       1.65110640      -0.48925870      -4.47776425       0.27460251       0.15056764      -0.47016352 
O       1.70753111      -1.28641094      -9.73407149       0.33457370      -0.72871557       0.01574297 
O       6.97843258      -0.42054553      -4.47562644      -0.76294110       0.05314490       1.04104080 
O       6.78948382      -1.28095875      -9.73617213       0.82409116      -0.53276817      -0.01780464 
O       1.76959223       4.70672374      -4.40838857      -0.39332229       0.24559937       0.69157455 
O       1.72476798       3.83782162      -9.60360970      -0.46726203       0.41736833      -0.71022081 
O       6.93939209       4.79055567      -4.33385562       0.52200132      -0.78460192      -0.70904889 
O       6.95225735       3.89496710      -9.66671559       0.66209221      -0.67584465      -0.50453001 
O       4.38879182       4.19508140      -3.54847308      -0.25301706      -0.14012296       0.58232295 
O       4.27200366       3.34165831      -8.66508946       0.70293896      -0.30411791       0.10059133 
O       9.57069741       4.19413265      -3.49686932       0.08154334      -0.05973806       0.59357574 
O       9.46675841       3.38745683      -8.62591840      -0.16816748      -0.40569708      -0.84495750 
O       4.30582854       9.35000329      -3.48472582      -0.18194211      -0.79451394       0.35563068 
O       4.26538733       8.43532689      -8.59584535       0.28103254       0.15090738      -0.32338479 
O       9.50767996       9.34424939      -3.44007114      -0.10387568       0.04500525       0.31715439 
O       9.47831075       8.43190782      -8.69702773       0.49798208       0.75585013       0.25663921 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0038282034080221678 0.0015444493121890897 0.0007916453364340592 0.0015444493121890897 -0.004906105268266314 0.0036839273981247203 0.0007916453364340592 0.0036839273981247203 -0.0056181211691289715" pbc="T T T" energy=-961.80467043 free_energy=-961.80467043 config_type=crystal 
Hf       2.76255688       3.06777488      -4.16929088      -0.41365654      -0.72598770       0.09919551 
Hf       2.81553980       2.03436591      -9.43878590       0.53033581       1.21463041       0.96230804 
Hf       7.99413411       3.01906620      -4.10028240       1.08343960       0.61386171      -1.46836849 
Hf       8.03929625       2.11648146      -9.45060546      -0.16601403       0.25233640       0.17550163 
Hf       2.78664688       8.14110121      -4.18363552       0.59148457      -0.40490518       0.64289336 
Hf       2.91704602       7.27423385      -9.46463467      -1.21561601       0.09787089       0.29289684 
Hf       7.99397254       8.13613289      -4.15198696       0.47835178      -0.12828114       0.24775019 
Hf       8.08309882       7.25643408      -9.33599462      -0.67299889      -0.49791323      -1.62010835 
Hf       0.25590829       0.72311380      -3.79007894      -0.63508165       0.20899205       0.31845305 
Hf       0.18540557      -0.11381420      -9.02738443       1.15669313       0.51901442       0.10653507 
Hf       5.42570046       0.79461128      -3.71054342      -0.35531777      -1.13522424       0.06179501 
Hf       5.48619992      -0.13844282      -8.94831051      -0.39483044       0.49831818      -0.70590014 
Hf       0.17363305       6.02137243      -3.68470799      -0.43556284      -0.31648689      -1.01515491 
Hf       0.24457643       5.00163783      -8.88871444       0.21597882      -0.10062248      -0.66059072 
Hf       5.33758618       5.93899557      -3.69935767       0.79686342      -0.07406525       0.05289081 
Hf       5.39192067       5.03745728      -8.96733526       0.13079904      -0.87646593       0.04801399 
Hf       2.36163363       1.29597244      -1.11815259       0.01542465      -1.87132623      -0.25338134 
Hf       2.43547933       0.26556087      -6.35069878      -1.31592113       0.98732173      -0.42253590 
Hf       7.59292990       1.21369354      -1.09173658       0.18887708      -0.40984964      -0.50726600 
Hf       7.54001982       0.31097355      -6.34255653       0.74100099      -0.05970041       0.26707685 
Hf       2.37969862       6.29615767      -1.12206658      -0.05361970       1.14631578       0.94776109 
Hf       2.38642820       5.48578431      -6.31807851      -0.49287364       0.22112255      -0.67981304 
Hf       7.53571761       6.42392497      -1.02766117       0.85355026      -0.24877231      -0.58030134 
Hf       7.50450070       5.54284286      -6.28249287       0.87674110      -0.94234640      -0.73864852 
Hf       4.98092081       3.44424212      -1.55756364       0.18889279       0.05832461       0.25774191 
Hf       4.97279571       2.53445099      -6.71817201      -0.38905852       0.97620291      -1.05435039 
Hf      10.16348535       3.49975984      -1.58814019      -0.15463870      -0.60930865      -0.52769084 
Hf      10.04615025       2.54584197      -6.72108151       1.87774854       0.04398212      -1.41040632 
Hf       4.97077251       8.61267561      -1.54644352       0.04107462      -0.36421313       0.02763432 
Hf       5.02234474       7.76267404      -6.79269487      -1.02910502      -1.39670363      -0.12332634 
Hf      10.23852781       8.59572459      -1.50695260      -1.11121386       0.59773813      -0.22590004 
Hf      10.23328372       7.76015825      -6.85825727      -0.64172378      -0.64400149       1.16380687 
O       1.37387930       1.46673519      -8.04243837      -0.81914692      -0.37587374      -0.31238470 
O       6.59526656       2.30595638      -2.82214258      -1.11787260       0.21440481       0.96079342 
O       6.57491166       1.39349434      -7.98259638      -1.05944889       0.67052491      -0.09648183 
O       1.31695555       7.57902143      -2.75719457       0.05335057      -0.48953863       0.39072420 
O       1.34244762       6.56711190      -7.92965800       0.11324372       0.48118501      -0.62531386 
O       6.55747487       7.57178513      -2.72196920      -0.83749786      -0.89993354       0.11663933 
O       6.52748246       6.55575127      -8.03298428       0.03659524       0.87454443       0.67606253 
O       3.96974530       1.46663827      -5.07528818      -0.16914681      -0.29770533      -0.32225985 
O       4.04602836       0.48137526     -10.33807175      -0.92114564       0.85148416      -0.49383008 
O       9.07385294       1.43001648      -5.18153519       0.31308948      -0.25280365       0.40586941 
O       9.18220657       0.63946073     -10.42507298      -0.33685733      -0.88176062      -0.23328877 
O       3.88887421       6.61096305      -5.17962272       0.40498777      -0.55671972       0.46255600 
O       4.02679935       5.69502008     -10.44939517      -0.96194922      -0.17444139       0.38342558 
O       9.01946899       6.54995006      -5.08916585       0.72886963       0.15996997      -0.13994188 
O       9.10450919       5.68276561     -10.40202367       0.32254340       0.41649934       0.70455620 
O       3.77435591       1.87318089      -2.46869551       0.50909877       0.69661016      -0.62254993 
O       3.80622398       1.02304189      -7.69541609       1.07034186      -0.23211025      -0.34732873 
O       9.05676672       1.81211340      -2.56716569       0.19815220       1.14280431       0.24419227 
O       8.92681270       0.97295548      -7.81133425       1.42778291      -0.20429384       0.43301101 
O       3.81123533       6.97849157      -2.51254617       0.49924038      -0.17391440      -0.40991529 
O       3.87107470       6.17595699      -7.81612767       0.15000475      -0.23660550       0.18398695 
O       9.03844385       7.06945070      -2.46350560       0.29784922      -0.40764075      -0.01883609 
O       9.00276607       6.22742630      -7.76898445       0.61259066      -0.83091461       0.59127943 
O       1.27702887       2.80633945      -0.26707923       0.17504836       0.66861972       0.55365300 
O       1.31172321       1.80373549      -5.35093473      -0.65489479       0.50985783       0.00520777 
O       6.51907328       2.85944836      -0.27065090       0.30931771      -0.35451408       1.07463803 
O       6.50124883       1.90664540      -5.34109158      -0.47571028      -0.12754109      -0.29733550 
O       1.25055907       8.00420682      -0.08673746       0.50059908      -0.16095398      -0.16096970 
O       1.19435745       7.01808664      -5.38971979       0.04305444       0.62192249       0.30096406 
O       6.43475811       7.96814748      -0.10944749       0.66945991       0.07605481       0.20852785 
O       6.38714365       7.02787238      -5.35375571      -0.20611033       0.47884256      -0.08565106 
O       3.55941479       4.67400850      -0.80252705      -0.45808825      -0.52479820      -0.22750098 
O       3.38248022       3.74377919      -6.03778860       1.05926934      -0.49912283      -0.40267812 
O       8.84322995       4.75004939      -0.76477987      -1.29473905       0.33158006      -0.20203166 
O       8.71756619       3.79113517      -6.03701302      -1.07827738       0.63365771       0.01074226 
O       3.56739329       9.82165857      -0.76559524      -0.88314988       0.49252531       0.30786029 
O       3.51000800       8.88747980      -6.04308079       0.17484436       0.18633787       0.09184875 
O       8.82319019       9.92166848      -0.78586021      -0.48407355      -0.66244883       0.53080364 
O       8.61720425       8.85776795      -6.13742245       0.26671253       0.15982582       0.22133044 
O       0.87647957       0.09262754      -1.93649646       0.93511108      -0.07397479       0.72591048 
O       0.89955039      -0.84164651      -7.19287500       0.29257997       0.08639426       0.81879606 
O       5.97419675       0.08690939      -1.81150968       1.37546470       0.52631621       0.47528923 
O       6.07155693      -0.85865130      -7.09069906       0.11588824      -0.05918623       0.37347443 
O       0.87093531       5.18165994      -1.82147936       0.46985441       0.30838685      -0.28773136 
O       0.96293992       4.22996686      -7.08545412      -1.09350814      -0.46188593       0.17063123 
O       6.10609427       5.15873488      -1.82827534      -0.26016317       0.14373063      -0.22261515 
O       6.02442136       4.29326709      -7.05029417      -0.08568708      -0.34022708       0.39035559 
O       1.62210262      -0.59415378      -4.54908107      -0.27880616       1.04744258      -0.14520219 
O       1.75713032      -1.25226086      -9.70186693      -0.24413043      -0.20595040      -0.19415204 
O       6.77448294      -0.58885493      -4.44657835      -0.48434088       1.88969010      -0.60507972 
O       6.98373870      -1.30006318      -9.65036912      -0.20898725       0.39912941      -0.31978693 
O       1.68644514       4.82513551      -4.42403307       0.63286184      -0.82553797       0.29503724 
O       1.78843067       3.94357639      -9.69586857       0.10053187      -1.16752232      -0.13729212 
O       6.91283834       4.81275760      -4.43156178      -0.16656294      -0.98240901       0.47849160 
O       6.97660036       3.84101607      -9.63349646      -0.55466553       0.38968468      -0.43169259 
O       4.33635346       4.11784205      -3.48583804       0.55051561       0.92293028       0.36329847 
O       4.32416523       3.24962512      -8.74076245       0.19016073       0.10348709       0.62683101 
O       9.55999250       4.25359393      -3.56386400      -0.50821761      -0.94293971       1.35968335 
O       9.53346618       3.24686248      -8.68670628       0.34187165       0.57477160       0.67390752 
O       4.21309640       9.35382323      -3.31953503      -0.13490972       0.30735070      -1.21632535 
O       4.29016455       8.53846070      -8.61297537       0.09272821      -0.26925929      -0.32419967 
O       9.43092727       9.34191800      -3.43337680       0.45365836       0.28875831      -0.09500199 
O       9.57838633       8.43669404      -8.70901477      -0.00293576       0.49728097      -0.35474834 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.001796198292147742 0.0008826718300844153 0.0017417738367737391 0.0008826718300844153 0.0009874665436136667 0.0018885769650596566 0.0017417738367737391 0.0018885769650596566 -0.00575810838844566" pbc="T T T" energy=-961.70055403 free_energy=-961.70055403 config_type=crystal 
Hf       2.81111613       3.00905298      -4.15103897      -0.41704938      -0.40674358       0.62179326 
Hf       2.81735893       1.99643551      -9.38259864       0.41316475       1.32972202       0.21245855 
Hf       8.02483597       3.01026654      -4.20203412       0.65815465       0.55319487       0.16622664 
Hf       8.02682758       2.08508500      -9.43823095      -1.36148129       0.90614433      -0.53802844 
Hf       2.80830389       8.21504833      -4.12934319       0.44672686      -0.39813569      -0.32348245 
Hf       2.78095425       7.29063094      -9.34251118      -0.41152389      -0.33710541      -0.47615150 
Hf       8.06797492       8.16750589      -4.17424222      -0.77308734       0.04725239      -0.04975967 
Hf       7.97128346       7.26635055      -9.42429394       0.06165313      -0.08613344      -0.06081042 
Hf       0.27776064       0.77649389      -3.76531542      -0.92028522       1.40644652       1.35449870 
Hf       0.11425428      -0.13639335      -8.97554157       1.35780917      -0.79850233       0.50907612 
Hf       5.41246177       0.86307753      -3.72101492      -0.17774745      -2.79396440      -0.11683735 
Hf       5.41785475      -0.15753127      -8.93746729       0.88511224       0.21955309      -0.35315741 
Hf       0.26995805       5.96094739      -3.70945083      -0.32895594      -0.63123623       0.75344812 
Hf       0.23056906       4.94924384      -9.01127075      -0.48971380       0.92034187       0.18594697 
Hf       5.43700354       5.93765205      -3.74109897      -0.11284305       0.61004121       0.15777396 
Hf       5.33852162       4.97689551      -8.94636884       0.69489279       0.33708202      -0.37358872 
Hf       2.40379298       1.21056379      -1.05655647      -0.88348735      -0.12825567      -0.40162660 
Hf       2.40083798       0.35776118      -6.36054529      -0.96776120      -0.21887706       0.33209165 
Hf       7.58043807       1.24201788      -1.18542679      -0.19110360       0.00217807       0.56532637 
Hf       7.61638942       0.38941704      -6.36164596      -0.52623791      -1.96959274      -0.42447599 
Hf       2.42442052       6.43366083      -1.05411057      -0.37836971      -1.17513867      -0.24577342 
Hf       2.37275644       5.46992362      -6.32163149      -0.07496380      -0.27706181       0.22680590 
Hf       7.54601253       6.39926925      -1.07952272       0.02393387       0.39048641      -0.26834452 
Hf       7.57696241       5.48611786      -6.38865798      -0.70173474       0.84388224      -0.38642449 
Hf       4.99324360       3.48777711      -1.55663812      -0.33043828       0.45606184       0.66334023 
Hf       5.01271054       2.57084800      -6.70698164      -0.58328575       0.07112337      -1.67859310 
Hf      10.23386558       3.51521910      -1.51268655      -0.96613315      -0.42338053      -0.56284764 
Hf      10.16856153       2.56977120      -6.73997805       0.72650039       0.35457073      -1.55159042 
Hf       4.93945886       8.63452620      -1.52176861       0.56064818      -0.43743397      -0.78990545 
Hf       4.95680816       7.70629658      -6.76833677       0.01105191       0.09034469       0.30721060 
Hf      10.14204727       8.62738651      -1.51710457      -0.53357044       0.25191576      -0.56140802 
Hf      10.16098057       7.63261031      -6.76777887       0.77579010       0.82967992      -0.34727341 
O       1.29202020       1.46519136      -7.93152342       0.36564453       0.14402248      -0.62815991 
O       6.48657275       2.29668598      -2.80490188       0.89170471       1.31909052       0.06230968 
O       6.46023283       1.45131176      -7.94576390       1.23829763       0.17763964      -0.98140451 
O       1.39068020       7.45975294      -2.69662604      -0.07048893       0.63052553      -0.25963142 
O       1.32025187       6.56931085      -7.96202941       0.32536103       0.03793925      -0.25259144 
O       6.59693191       7.48359106      -2.78046733      -0.55380262       0.17926156      -0.46227629 
O       6.48350262       6.62445543      -7.97331638       0.30023120      -0.15954077      -0.77464862 
O       4.04519443       1.46494627      -5.11584605      -0.78776934      -0.22037993      -0.03186662 
O       4.00246320       0.44106837     -10.34068493      -0.66176374       0.15011919      -0.13844505 
O       9.21020644       1.47322573      -5.23272208      -1.22056436      -0.17721412       0.24557764 
O       9.09976446       0.51188507     -10.37446153       0.36739276       0.36942206      -0.84484437 
O       3.88402277       6.60689156      -5.13149161       0.34435806      -0.20028981       0.09137013 
O       3.86935635       5.74138469     -10.35208846      -0.38218658      -0.73954190       0.00595757 
O       9.27295509       6.54591386      -5.09138410      -1.42337367       0.13521769      -0.65286972 
O       9.08623775       5.70652031     -10.42502552      -0.31005322       0.11180655       0.62292597 
O       3.74933764       1.86376745      -2.50834446       0.72692225       0.34308018      -0.15250757 
O       3.90390471       0.98027046      -7.72045012      -0.64935702      -0.12537483      -0.20947126 
O       9.09163842       1.85511286      -2.58815479      -0.54545846       0.18573997       0.40167765 
O       9.05939952       0.87876892      -7.87853632      -0.84799171       1.29987910       1.31506232 
O       3.90290620       6.93168789      -2.56824221      -0.43092559       0.79320220       0.98818814 
O       3.85748315       6.02940989      -7.66424836      -0.02098939       0.73076627      -0.54709851 
O       9.00211772       7.04933881      -2.48217427       1.24200011       0.27211715      -0.60269024 
O       9.07526643       6.11238629      -7.78978327      -0.54230458      -0.05291421       0.26624197 
O       1.33415752       2.81189470      -0.07949079      -0.77198645      -0.20388500      -0.49552447 
O       1.24412894       1.94390943      -5.30947306       0.56481661       0.31709389      -0.34665763 
O       6.48680487       2.93448558      -0.19778975       0.14832913      -0.89973073       0.25044510 
O       6.55162805       1.93331477      -5.48012195       0.15254368       0.30580879       1.44169713 
O       1.12295129       7.89401358      -0.17680171       1.41575079       0.13369832       0.77137673 
O       1.32494382       7.15332642      -5.32907891      -0.27355870      -0.79879776      -0.24973144 
O       6.36787890       7.98770304      -0.19709451       0.67756360      -0.15337281       1.05068725 
O       6.39834304       7.12486890      -5.44198614       0.95499563      -0.91547308       1.10218002 
O       3.49960025       4.52625161      -0.70867892      -0.24757646       1.18508421      -0.64928016 
O       3.44947206       3.66500747      -5.98000682      -0.17158965       1.25474628      -0.75945498 
O       8.59427723       4.64556464      -0.88611329       0.73699122      -0.62761632       0.74222468 
O       8.67288615       3.86078065      -6.20638168       0.51976312      -1.66865805       1.26527647 
O       3.49828608       9.78423673      -0.72192939      -0.37615424       0.32527775      -0.29028941 
O       3.48181944       8.96477545      -6.01818716       0.28409854      -0.24501436      -0.17520482 
O       8.65716678       9.85557120      -0.77679432       0.74236334      -0.61119422      -0.61865571 
O       8.65340321       8.76555084      -6.14657686      -0.81003849       1.29000554       0.90697618 
O       0.87465680       0.05953724      -1.83937204       0.33122898       0.00051245       0.04860975 
O       0.83943671      -0.80603633      -7.00922103       0.11252823      -0.52326469      -0.40002635 
O       6.07184038      -0.00853485      -1.83109684       0.26751572       0.92020156      -0.27197732 
O       6.16448732      -0.86729120      -7.12748943      -0.52842991      -0.56387818       0.13915573 
O       0.84637151       5.21571099      -1.77247008       0.49414740      -0.12367244      -0.22801868 
O       0.91452166       4.23121348      -7.12553842       0.11441216       0.09060984       0.28768375 
O       6.03783087       5.29366440      -1.80420516      -0.96460035      -1.62106414      -0.76382460 
O       6.05534974       4.27287738      -7.10128974       0.49938312       0.36130014       0.56892399 
O       1.72350161      -0.30180790      -4.42472895       1.79657783      -1.59747930      -0.46603413 
O       1.59051633      -1.38970155      -9.76615529       0.20924039       0.05915064       0.69766350 
O       6.83026646      -0.43738580      -4.46885209       0.95741207       0.50725576      -0.42584483 
O       6.89534150      -1.29034568      -9.84892804      -0.73805866       0.26924572       1.24222070 
O       1.62413558       4.66719135      -4.46845695       0.22108250       0.43840496      -0.01186002 
O       1.68166914       3.80255287      -9.77269673       0.55785944      -0.57481854       0.50339494 
O       6.96957164       4.75466406      -4.50211689      -0.51356679      -0.14437668       0.41062388 
O       6.81494503       3.83936022      -9.76155236       0.51277192      -0.36561452       0.67874125 
O       4.27748163       4.20056772      -3.41105865       0.71173343       0.38211546      -0.07005111 
O       4.27964126       3.32144268      -8.63500056      -0.69942132      -0.70618049       0.04806637 
O       9.46444304       4.17545970      -3.41586340       0.76586017       0.62713466      -0.14420402 
O       9.41873291       3.37352386      -8.69681446       0.05753441      -1.08715147       0.05407629 
O       4.32651001       9.34555775      -3.41844466      -0.30386773       0.33564533       0.09474097 
O       4.23217808       8.43760130      -8.62145344       0.37922730       0.38240080       0.09081267 
O       9.57726709       9.35223496      -3.52522584      -0.61026293      -0.62318898       0.40589536 
O       9.47279610       8.42399640      -8.65139523      -0.01637988       0.14378814      -0.35386761 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007011678790064143 0.002614537670577399 0.003964756311840448 0.002614537670577399 -0.006928638581966755 0.0030335831810934387 0.003964756311840448 0.0030335831810934387 -0.005704946009907475" pbc="T T T" energy=-961.81766416 free_energy=-961.81766416 config_type=crystal 
Hf       2.82904562       3.08903713      -4.14244025      -0.42281910      -0.69262226      -0.37682013 
Hf       2.77664550       2.05218608      -9.50221783       0.94047585       0.06076475       1.06032915 
Hf       8.09168287       3.00028301      -4.20062315      -1.71927389       0.55829991       1.33307177 
Hf       8.01793245       2.06716420      -9.41207903      -0.69414579       0.85890037       0.34742112 
Hf       2.90047215       8.11692543      -4.17258134      -1.13735534       1.59365971      -0.07560014 
Hf       2.73398419       7.26717652      -9.39188210       0.32833437       0.64360971       0.10809700 
Hf       8.03205214       8.14145591      -4.15289369      -0.26247103       0.24598991       0.24892090 
Hf       7.99029167       7.28903143      -9.39961231       0.96250541      -0.31329412      -0.28735381 
Hf       0.22674720       0.78078487      -3.72231457      -0.25699033      -0.56361082       0.62728587 
Hf       0.25299163      -0.06507788      -8.89315293      -0.18431091      -0.76136190      -0.55904582 
Hf       5.42474975       0.80948165      -3.72233831       0.80102132       0.46151264       0.50540601 
Hf       5.39362001      -0.14415540      -9.00131368      -0.63856180       0.81603723       1.25703844 
Hf       0.21432841       5.91984478      -3.69774730       0.39811216       0.28926777       0.07641100 
Hf       0.26237240       5.00108472      -8.98695612      -0.33674875       0.62662898      -0.37564668 
Hf       5.40937616       5.90310984      -3.68681378       1.25246621       0.00764344      -0.09323897 
Hf       5.39079894       4.97074675      -9.04859760       0.87481386      -0.73012954       0.91421023 
Hf       2.38402534       1.26321830      -1.15328240      -1.00807251      -1.21850963       0.36356318 
Hf       2.38864383       0.39183444      -6.33339813       0.35303235      -0.83442674       0.28130692 
Hf       7.56616014       1.22934065      -1.03080442      -0.19063065       0.01840914      -1.33942833 
Hf       7.56309760       0.33338070      -6.32633459      -0.01335941       0.25882712      -0.15787399 
Hf       2.39183614       6.28547005      -1.10409168      -0.98203125       0.85607078       0.02549100 
Hf       2.40116787       5.50945293      -6.28597339      -0.76913105       1.01799052      -0.71360774 
Hf       7.61196305       6.41521718      -1.13856951      -1.11845102      -1.02491871       0.41949501 
Hf       7.56711449       5.46529250      -6.36785590      -0.99573888       0.18846713       0.26822564 
Hf       4.98024544       3.38390453      -1.48000453       0.31454734       1.12253040      -1.97985893 
Hf       4.88480113       2.60016735      -6.73650120       1.33619272      -0.07919582      -1.24508399 
Hf      10.10193636       3.47180838      -1.49850551       0.73710147      -0.95352183      -0.36727081 
Hf      10.20972580       2.64043063      -6.81619801      -0.47356943      -0.40913220       0.42934034 
Hf       4.95149145       8.66720576      -1.50977327       0.50970743      -0.29257905      -0.06061320 
Hf       5.02494356       7.67091034      -6.85341156      -0.35561970       0.59078998       1.11157681 
Hf      10.19869038       8.58756078      -1.50936921      -0.56606571       0.08458610      -0.10306162 
Hf      10.15684128       7.71644472      -6.76977272       0.45569371       0.59221804       0.00089040 
O       1.42112231       1.45292575      -8.01471389      -0.56875909       0.53786227       0.62289544 
O       6.52243506       2.44608552      -2.67155380      -0.28032394      -0.76762508      -0.85579690 
O       6.54237726       1.55961247      -7.97040184       0.15984848      -0.82169364      -0.31852507 
O       1.28850225       7.38700045      -2.65035542       0.49335415       0.62263668      -0.86319431 
O       1.30620773       6.66961858      -7.99092576      -0.55506612      -0.25611961      -0.29281757 
O       6.50173863       7.58100614      -2.75794883      -0.23039458      -0.51882062       0.07123428 
O       6.53387862       6.54315184      -8.07089097      -0.65426285       0.13892549       0.29804459 
O       3.95664117       1.56465578      -5.09455381      -0.77759950      -0.81124464      -0.48752726 
O       3.93048173       0.48938810     -10.44810308      -0.28719968      -0.30194272       0.20307088 
O       9.14832818       1.42757244      -5.08848300      -0.04763062       0.34705391      -0.82050773 
O       9.15096794       0.51935057     -10.39327826      -0.39678083      -0.07251109       0.55734151 
O       3.95191358       6.64433979      -5.10142350       0.55384743      -0.48160149       0.13209753 
O       3.98351619       5.73907132     -10.34179536      -0.50746482      -0.34285863      -0.28073918 
O       9.19514903       6.62319172      -5.09949706      -0.21116967      -0.56555148      -0.42575236 
O       9.17485647       5.69245855     -10.35787134      -0.24389064      -0.00164886      -0.06740906 
O       3.71152507       1.98552490      -2.57989419       0.69174281      -0.44655568       0.82852873 
O       3.92089024       1.03902630      -7.82907499      -0.69773866      -0.68954809       0.84298649 
O       8.94038482       1.87595986      -2.55651075       1.05295097       0.05036654       0.58321907 
O       9.09095328       1.06348460      -7.70828655      -0.16268153      -0.47795739      -0.16316487 
O       3.79737883       7.08112514      -2.52261759       0.55976454      -0.25367502       0.37229629 
O       3.73678045       6.23143007      -7.60615713       1.26587280      -0.36239365      -1.92403009 
O       8.99596489       7.04585118      -2.47883509       0.82606357      -0.58656027      -0.54906739 
O       9.01416069       6.22226845      -7.78165719       0.22256700      -0.48969835       0.40661445 
O       1.31341444       2.75159763      -0.12748792      -0.93471701       0.40323185      -0.66136336 
O       1.27010353       2.05645831      -5.41607049       0.21628060      -0.58811083       0.44934568 
O       6.33920335       2.73452375      -0.13309996       1.56871305       0.16083443       1.40244323 
O       6.36195176       1.91245908      -5.33105418       1.20428675      -0.05898881      -0.21992186 
O       1.29527412       7.90601464      -0.10434935       0.34870567      -0.31108065       0.39342220 
O       1.28799271       7.10475873      -5.37334497       0.14677630       0.15966193       0.53878795 
O       6.53275470       7.88384287      -0.16846194      -0.70218564       0.87936798       0.39604559 
O       6.52328488       7.02170181      -5.37246975      -0.49363973       0.40270673      -0.57115858 
O       3.42882977       4.57727257      -0.85656842       0.39878037       0.38361547      -0.32154391 
O       3.51724390       3.88236913      -6.05724881      -0.32555688      -0.84239047       0.40214976 
O       8.62274010       4.57866091      -0.83772092      -0.39459743       0.66510027       0.52287635 
O       8.65949296       3.78830474      -6.05272872       0.96169660      -0.56663215      -0.29414074 
O       3.41038159       9.78802994      -0.84202448      -0.08856860       0.07686233       0.41093632 
O       3.58196235       8.94670856      -6.05068563      -0.38247348       0.49212419       0.59210030 
O       8.61992588       9.81204718      -0.84507868       0.18275112      -0.45868111       0.80398629 
O       8.71391628       8.95394697      -5.99210864       0.11636350      -0.18643327      -0.39475153 
O       0.87300526      -0.03915531      -1.79750568       0.58491387       1.39205366      -0.18469402 
O       0.89579492      -0.79406280      -6.98665401      -0.06042512      -0.15790107      -0.33406540 
O       5.96733490       0.13726941      -1.72561343       0.34299189       0.14391693      -0.34026956 
O       6.16699325      -0.90381590      -7.15970964       0.01062562       0.24667472       0.32532880 
O       0.81419266       5.13958054      -1.76222718       0.64676449       0.21289209      -0.30715944 
O       0.90630553       4.38302460      -7.11067463      -0.55352604      -1.01725699       0.10761598 
O       6.15516037       5.13238189      -1.84725871      -0.79664829       0.35106303       0.00905307 
O       5.95409371       4.32395561      -6.99550642       0.74214635       0.39067550      -0.75210310 
O       1.67837552      -0.36722610      -4.44146110       1.01475724      -0.37088747      -0.35580408 
O       1.65481096      -1.30626075      -9.64870068       0.51594646      -0.20682612      -0.32234868 
O       6.98759412      -0.39890849      -4.43361801      -1.08799201       0.73101391       0.24150052 
O       6.79526665      -1.37445400      -9.65763678       1.10614537      -0.13659222      -0.73939456 
O       1.79464033       4.79672825      -4.45605429      -1.26567697       0.26764304       1.22281328 
O       1.60480527       3.68244552      -9.77767181       0.08498510       0.95441402       0.20474478 
O       6.94877567       4.77455570      -4.44569883       0.23041140      -0.53256493       0.01480682 
O       6.86031987       3.75692744      -9.77675447      -0.03134496       0.20098408       0.63714649 
O       4.31309686       4.23134476      -3.45251884       0.31695089       0.28987662       0.43822840 
O       4.21105326       3.31492820      -8.74617309       0.47306028       0.68588282       0.29400988 
O       9.54729930       4.20997616      -3.36313713      -0.43436330      -0.31558482      -0.98928030 
O       9.49324795       3.28051237      -8.70342594       0.35796460       0.75430917       0.01085522 
O       4.35852084       9.44438676      -3.37744134      -1.00125172      -1.04350562      -0.66152803 
O       4.24734313       8.45539290      -8.62472028       0.21714068       0.28205744      -0.78972678 
O       9.50451570       9.28890708      -3.35124175       0.38957459       0.70356976      -0.49737660 
O       9.50959053       8.57188112      -8.62409056      -0.95651944      -0.84403714      -0.19341431 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00306414177829451 0.001763176127604121 -0.00018992412325181772 0.001763176127604121 0.00017843217550962283 0.0018737657640397897 -0.00018992412325181772 0.0018737657640397897 -0.001606538421909296" pbc="T T T" energy=-961.9572838 free_energy=-961.9572838 config_type=crystal 
Hf       2.75594865       2.92417652      -4.14779040       0.68374416       0.69872304      -0.65871502 
Hf       2.85023653       2.10524549      -9.37030928      -0.66344988      -0.21785440      -0.36157436 
Hf       8.05960117       3.01158262      -4.18748660      -0.99400331       0.02135461      -0.02883156 
Hf       8.06575025       2.12913049      -9.42715944      -0.00601272       0.14937642      -0.17820935 
Hf       2.78982382       8.21613967      -4.21729798       1.01124257      -1.58234075       0.67307996 
Hf       2.77025360       7.21584571      -9.39441337       0.91924608       0.18050238       0.38406300 
Hf       7.99723789       8.13097781      -4.18041950      -0.11774805       0.13440737       0.04652575 
Hf       8.06506699       7.26036710      -9.39762340      -0.64457703       0.74913855      -0.22917214 
Hf       0.24172606       0.77139785      -3.68590548      -0.51386226       0.33018854      -0.30157941 
Hf       0.27363164      -0.11158857      -8.91370016      -0.13799694      -0.28508191      -0.28747579 
Hf       5.41201363       0.82694727      -3.72200260       0.56002638       0.20947861       0.45280273 
Hf       5.40453106      -0.01512577      -8.87138238       0.88445564      -1.56802710      -0.80190838 
Hf       0.27775731       5.93096416      -3.66866299      -0.43089801       0.19298295      -0.32029868 
Hf       0.25560302       5.04519012      -8.94720931      -0.56707469      -0.31384243      -0.24038124 
Hf       5.39253401       5.83086740      -3.71599889      -0.67818218       0.59617060      -0.05386793 
Hf       5.44484032       4.99307221      -9.10299641      -0.15246519       0.33903441       1.31033384 
Hf       2.40911032       1.16884698      -1.08538320      -0.08222438       1.03189895       0.51624657 
Hf       2.35176213       0.31702071      -6.31435269       0.34890217       0.34661845      -0.70149177 
Hf       7.56917883       1.21911174      -1.07853451       0.05178903       0.29386557       0.92819667 
Hf       7.58950443       0.35849318      -6.28981702      -0.49257081       0.85920869      -1.05801494 
Hf       2.46032429       6.35836611      -1.08053687      -0.54029889       0.19504673       0.26608232 
Hf       2.35257319       5.57611573      -6.33566142       0.69328873      -1.81225268      -0.45882129 
Hf       7.49900808       6.44783318      -1.13228974       2.54105173      -1.16155982       0.78860654 
Hf       7.46392005       5.47621991      -6.39502459       1.03572096       0.25237003       0.12108255 
Hf       5.03075703       3.44086021      -1.51982548      -0.98759192      -0.61812442       0.51502421 
Hf       4.95804679       2.61175401      -6.78287808       0.50558285      -0.47854269       0.54332849 
Hf      10.11774468       3.45993190      -1.54215834       1.18877789      -0.00463780       0.74676298 
Hf      10.15382373       2.61064109      -6.78042641      -0.23131835      -0.40894179      -0.61051816 
Hf       4.92087852       8.63913631      -1.58547241       0.61301404      -0.25387389       0.42998659 
Hf       4.96595307       7.70339606      -6.85421790      -0.08141397      -0.12660127       0.17216338 
Hf      10.16863198       8.63455101      -1.55810830      -0.30697353      -0.69918816       1.18309431 
Hf      10.11797690       7.67312836      -6.74330957       0.60067103       0.43988307      -0.76418507 
O       1.34887838       1.44467883      -7.96851373       0.09635599       0.01317422       0.07711333 
O       6.67711839       2.35747960      -2.65726586      -1.23931084       0.05239189      -1.17280633 
O       6.57433282       1.53413397      -7.96401150      -0.21379149      -0.42866511      -0.24790933 
O       1.39312119       7.59077516      -2.73234420      -0.43098581      -0.38276070       0.20084993 
O       1.36879575       6.65817587      -7.90753967      -0.86792834      -0.36107606      -0.04521852 
O       6.57595297       7.37737982      -2.69602436      -0.37535503       1.09683663      -1.54705840 
O       6.50785249       6.55581181      -8.06238402      -0.20024017       0.43903285       0.47659734 
O       3.95238000       1.38075093      -5.08273414      -0.88854034       0.20325232      -0.31208793 
O       4.05001584       0.53475467     -10.38582715      -0.51235231       0.06287031       0.21244094 
O       9.14373494       1.47534926      -5.14283140      -0.43679607      -0.17531136       0.40121260 
O       9.21421221       0.55420995     -10.37280853      -0.18683871       0.05529154       0.04766631 
O       3.98450482       6.45889544      -5.19395980      -0.70958208       0.41872771      -0.05946546 
O       3.98278325       5.70306219     -10.45471414      -0.05990853      -0.52930161      -0.10819343 
O       9.08044589       6.60077238      -5.15559381       0.04125397      -0.04364533       0.27115821 
O       9.10751978       5.72202468     -10.37430948       0.66457538      -0.18922317      -0.57369253 
O       3.84720133       1.76913465      -2.47751653      -0.16986024       0.66953312      -0.22037287 
O       3.85425479       0.86043956      -7.71541845       0.04242811       0.86549756      -0.02035489 
O       9.08637625       1.84625257      -2.48253770       0.68193177       0.08251189      -0.38747526 
O       9.05034022       1.06145914      -7.78213906       0.20062011      -0.77416238       0.34150240 
O       3.87419792       6.98811408      -2.59889941      -0.04339655       0.16875399       0.54526816 
O       3.80037737       6.04419983      -7.84304917       0.47991305       0.12092796       0.27534820 
O       9.14769177       6.99381635      -2.48129601      -0.68235015       0.14616011      -0.42852132 
O       9.00407036       6.16500734      -7.84747170       0.38338331      -0.50423135       1.42076602 
O       1.36626207       2.85786668      -0.16567109      -0.50522673      -0.54167432      -0.19734458 
O       1.17888848       1.88305882      -5.37107149       0.95216312      -0.04328161       0.99872353 
O       6.52133431       2.87122767      -0.21814104       0.45644899      -0.18666619       1.66568623 
O       6.39550545       2.02438021      -5.29972411       0.57780242      -0.63292297      -0.18161053 
O       1.24443025       7.98240392      -0.01696012       0.09469103      -0.25234791      -0.88535735 
O       1.20621319       7.04587975      -5.33591164       0.30491105       0.23992786       0.42006407 
O       6.51454633       7.96416360      -0.14905244      -1.07912308       0.68102660      -0.29894062 
O       6.41056306       7.06417617      -5.33596625       0.52823978       0.15772298      -0.32711314 
O       3.46952336       4.65698170      -0.68870701       0.88696547      -0.11145949      -1.20162750 
O       3.41022719       3.64812188      -6.13155620      -0.48331598       0.73789116       0.59409490 
O       8.76676257       4.70706166      -0.82967768      -0.63237282       0.08853572       0.27810744 
O       8.62263495       3.78286032      -6.15677913       0.03431512       0.02689763       0.95411034 
O       3.40833356       9.71696963      -0.79014413       0.37895884       0.11233544      -0.54220061 
O       3.37531642       8.80626388      -6.11250141       0.70940994      -0.09860921       0.21564850 
O       8.67407574       9.86524427      -0.76484886       0.80045939      -0.90737808      -0.24209749 
O       8.69310910       8.98027897      -6.14936582      -0.21675579      -0.62765375       1.15117957 
O       0.88605059       0.04381975      -1.76475457      -0.09041546       0.27730697      -0.54679501 
O       0.98519281      -0.93695040      -6.99256951      -1.27778878       0.20316436      -0.67299248 
O       6.08553126       0.02286594      -1.78980802      -0.32963721      -0.10907221      -0.28842990 
O       6.01990522      -0.78927230      -6.96599484      -0.15267337      -0.38779830      -0.17046929 
O       0.99745970       5.17161223      -1.90359162      -0.11649730      -0.41954598       0.39912056 
O       0.86050449       4.24667824      -7.10272706       0.68544860       1.28219171       0.33231530 
O       6.01534107       5.14607303      -1.69748383       0.20759049       0.72538286      -0.95920328 
O       6.14039378       4.27533732      -7.19089375      -1.13027756      -0.69505577       0.11890807 
O       1.70654299      -0.44422387      -4.44296321      -0.44947261       0.82051629       0.38597041 
O       1.81886104      -1.28197064      -9.61386026      -0.52377271       0.47572348      -0.18469385 
O       6.92448856      -0.34649046      -4.46719415       0.25767414      -0.82199160       0.69467129 
O       6.95947019      -1.25551681      -9.55648916      -0.14839849       0.48740835      -0.60167687 
O       1.68576822       4.72120400      -4.54582001       0.17027440      -0.79741558       0.91774350 
O       1.84260879       3.92091519      -9.60938219      -0.24140655      -0.23977566      -0.34119912 
O       6.76357604       4.65409087      -4.53523710       1.10080112      -0.21437072       0.10423414 
O       7.02482774       3.93888621      -9.74546977      -0.37973738      -1.10761663       0.54227412 
O       4.32916587       4.07270931      -3.41434953      -0.38300427       0.29386444      -0.15133591 
O       4.38895703       3.19499844      -8.65680030       0.26334154       0.72394026      -0.86777822 
O       9.48913038       4.19311551      -3.40454409       0.23670106       0.58542829      -0.47097108 
O       9.56594354       3.29068938      -8.70043454       0.04736739       0.50835055      -0.48132068 
O       4.30962235       9.38066557      -3.44387172      -0.03311681      -0.31783799      -0.15648800 
O       4.37788440       8.36361986      -8.69035124       0.04478352       0.85743641      -0.26321393 
O       9.47566601       9.32793501      -3.39832564       0.00271717       0.31592473      -0.32409165 
O       9.60666893       8.42983004      -8.62521486      -0.17386576       0.41162668      -0.54187290 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002463081285026825 -0.002663910573023386 1.82622187966956e-05 -0.002663910573023386 -0.003929782346253545 0.002419968485162407 1.82622187966956e-05 0.002419968485162407 -0.0021919561391717446" pbc="T T T" energy=-962.25997633 free_energy=-962.25997633 config_type=crystal 
Hf       2.81131729       2.99256588      -4.20868886      -0.20497548      -0.49138669       1.23425079 
Hf       2.75965259       2.13814357      -9.36289492       0.44021460      -1.59373586      -0.48934154 
Hf       8.02826093       3.01343846      -4.18051453      -0.07147243      -0.25607977       0.27706019 
Hf       7.99921787       2.11225946      -9.42550707       1.21265577       0.03533727      -0.08775398 
Hf       2.84285100       8.12591422      -4.14836216      -0.16200338       0.90960690      -0.16725480 
Hf       2.87734585       7.29050335      -9.44247927      -0.56936602      -0.26208146      -0.00442341 
Hf       8.02524764       8.13060527      -4.16872668       0.02521386       0.58866967      -0.26631416 
Hf       7.96652356       7.27672397      -9.34608558       0.41302790       0.49041496      -1.59154711 
Hf       0.22152878       0.75407402      -3.77419334       0.07658470       0.74880055       0.43494090 
Hf       0.19108740      -0.10887534      -8.94099580      -0.00160355       0.04600461       0.09306375 
Hf       5.47881357       0.79967982      -3.78426824      -0.81702385      -0.83335729       0.64438488 
Hf       5.39016014      -0.07544319      -8.98700044       0.13995146      -0.32042712       0.15430228 
Hf       0.21097452       5.98537828      -3.67872318       0.04466644      -1.27857631      -0.72481502 
Hf       0.25877882       5.05889323      -8.89413442      -0.82446304       0.27426424      -1.22704517 
Hf       5.43613491       5.88122782      -3.66753386      -0.18663585      -0.26331582      -1.19802841 
Hf       5.36557857       5.01455269      -8.95199947       0.93992885       0.10188208      -0.63443819 
Hf       2.33115962       1.20087511      -1.09420506       1.08340529       0.73781603       0.12165281 
Hf       2.42764255       0.39108949      -6.36060672      -1.05157108      -0.15886420       0.39990098 
Hf       7.62320982       1.27157786      -1.05161647      -1.35646839      -1.21181569      -0.55390613 
Hf       7.61151263       0.26231072      -6.35928543       0.12805153       0.26841030      -0.33166515 
Hf       2.29333241       6.31584876      -1.02324137       0.85143435       0.59722425      -1.14807777 
Hf       2.41437508       5.46670286      -6.29315022      -0.44930051       0.29741818      -0.22994759 
Hf       7.52185405       6.42673115      -1.08231378       1.39710242      -0.64917779       0.17257399 
Hf       7.62484245       5.48940141      -6.39940333      -0.58936823       0.21752102       0.88823377 
Hf       4.92315192       3.44241408      -1.51349961      -0.20623835      -0.41322947      -0.42267998 
Hf       4.99452161       2.59853251      -6.80783367      -0.19200137      -1.73167926       0.42697930 
Hf      10.14823864       3.41915503      -1.59140093       0.25936406       0.63529479       0.63075461 
Hf      10.15447312       2.59519454      -6.75819425       0.08959683      -0.83692459      -0.63200644 
Hf       5.01583065       8.60105502      -1.62346069      -0.48957222       0.79221244       1.24512798 
Hf       4.91090363       7.69985626      -6.81224234       1.07089641       0.91000621       0.33662235 
Hf      10.12833353       8.63226321      -1.49338417       0.15514689       0.55011295      -0.27640761 
Hf      10.28036142       7.69829010      -6.74657903      -0.50420757       0.91114754      -0.67367948 
O       1.27685359       1.49838245      -7.91795845       0.76751174       0.29485107      -1.12754281 
O       6.50173260       2.32254907      -2.82527018       0.65704250       0.65472747       0.68970697 
O       6.62222989       1.37622259      -8.03725655      -0.86074271       0.77700307       0.27532456 
O       1.28181090       7.48078528      -2.69895024       0.83825628       0.62808890       0.03286693 
O       1.42325606       6.65813651      -7.91406526      -0.54462274      -0.11310145      -0.40629598 
O       6.53724975       7.54129393      -2.69734124      -0.07888852      -0.46308231      -0.43346048 
O       6.54748118       6.60127006      -8.00916507      -0.62265068      -0.50387940       0.85778728 
O       3.94062713       1.45991359      -5.17122992      -0.14649473      -0.05025422       0.10742840 
O       3.83675265       0.47693925     -10.32777561       0.45919001       0.80272462      -0.46563968 
O       9.08593623       1.43173213      -5.15980066       0.62159770       0.26704399       0.37254999 
O       9.06708407       0.51642236     -10.38244481       0.01737357      -0.00458407       0.35516847 
O       3.93151837       6.57958022      -5.23027303       0.17070209       0.26409403       0.90421885 
O       4.02994106       5.66279251     -10.34853002      -1.05494710       0.01141343      -0.71827536 
O       9.18124245       6.57477506      -5.20929465       0.05347372      -0.64965734       0.48242157 
O       9.17951611       5.73744550     -10.43404836      -0.46484727      -0.72443821       0.64285389 
O       3.81106991       1.89741786      -2.50327804      -0.39417868       0.07445468       0.05504411 
O       3.79552053       1.02133950      -7.80808285       0.57074053       0.03438464       0.40334878 
O       9.07391434       1.93880465      -2.43875205      -0.65560560      -0.90931411      -1.22352321 
O       9.06885427       1.00681051      -7.74141254       0.20507584       0.03620555      -0.21198144 
O       3.89570219       6.94540087      -2.51339304      -0.68485683       0.34151168      -0.29331381 
O       3.82033681       6.09562458      -7.78707937       0.98868469      -0.01988169      -0.04976921 
O       9.04074499       7.03557815      -2.57892110      -0.05431362      -0.20259629       0.49265630 
O       9.10316281       6.21759508      -7.81752603      -0.23295876      -0.96328884       0.59648674 
O       1.17356948       2.81072961      -0.18113709       0.69735213      -0.12796983       0.63601294 
O       1.27011423       1.92655842      -5.37966958      -0.23272734       0.53041398       0.24979417 
O       6.41556869       2.80630136      -0.09313987      -0.11367507       0.46720401      -0.79383403 
O       6.41329665       1.75791050      -5.39140671       0.47547444       1.60240074      -0.88789046 
O       1.27245537       7.99042203      -0.08082930       0.15336993      -0.45543487       0.07218931 
O       1.34213830       7.11914557      -5.34369216      -0.42059076      -0.19190471       0.33034465 
O       6.46455332       8.01169627      -0.08856802       0.05053655      -0.85815154      -0.24922137 
O       6.45168266       7.04006271      -5.36526078       0.04668811      -0.17421292      -0.03532420 
O       3.48929432       4.68173653      -0.74443530       0.14298674      -0.39869462      -0.32187199 
O       3.52667060       3.77827076      -6.03183844      -0.17763448       0.07574162      -0.72096352 
O       8.75568382       4.68002783      -0.85590058      -0.96943700       0.31963160       0.20973157 
O       8.63770461       3.76198051      -6.10299839      -0.02780769       0.06295424      -0.18730696 
O       3.44653930       9.74629219      -0.83500767      -0.08934133      -0.00550317      -0.12708907 
O       3.54793632       9.02169985      -6.04258085      -0.05730615      -1.26091515       0.13341025 
O       8.59888938       9.73887227      -0.75403682       0.06025962       1.10769259      -0.46729099 
O       8.75226427       8.83221105      -5.98443691      -0.30276718       0.70766215      -0.52834435 
O       0.80604314       0.18647952      -1.76654450      -0.94988256      -1.47916958      -0.36883076 
O       0.82178599      -0.75211235      -7.01049107       0.19434479      -0.80682644      -0.20890064 
O       6.02190078       0.05817186      -1.84750075       0.69294366       0.16408397      -0.23950505 
O       6.06025936      -0.81542980      -7.02231421      -0.57676956      -1.11942083      -0.76554718 
O       0.88447469       5.10193946      -1.89361197       0.78760975       0.84218185       0.53449300 
O       0.84594457       4.35093711      -7.08844175       0.37519550      -0.39531158       0.91438150 
O       6.10370212       5.13214610      -1.90163431       0.19148723       0.06812798       0.89959510 
O       6.07061537       4.20653488      -7.08408568       0.97272497       1.44138640       0.00869482 
O       1.68856788      -0.37340864      -4.47139239       0.73522375      -1.12962912       0.43518271 
O       1.73377689      -1.29795176      -9.60830052      -0.23230773       0.16023052      -0.30753140 
O       6.98260605      -0.40476890      -4.51426481      -0.41039255      -0.83235630       1.28420191 
O       6.74655954      -1.33576970      -9.80754565       0.95396114      -0.26351254       0.83609999 
O       1.76027484       4.76568994      -4.42678202      -0.25988808       0.08989442      -0.18764145 
O       1.75597243       3.83928725      -9.66545625      -0.69276430       0.69181654       0.15235039 
O       6.98863814       4.71662028      -4.45051849      -0.67614894       0.69698371      -0.30698035 
O       6.99543350       3.82710121      -9.74505069      -1.27851798       0.88290808       0.42134846 
O       4.32256782       4.12948343      -3.46048900       0.60000050       1.00984945       0.33076149 
O       4.36193187       3.23708312      -8.72893428       0.06664550       0.51972959       0.18005851 
O       9.56194037       4.15454732      -3.52919286       0.08432948       0.40040049       0.06802681 
O       9.58150197       3.27548221      -8.72041851      -0.17951834       0.52290705       0.20269955 
O       4.29929907       9.37001890      -3.45793935      -0.04330603      -0.50230276      -0.11662608 
O       4.34957064       8.45815002      -8.71720954      -0.19327721      -0.39776882       0.71134159 
O       9.44115360       9.42194402      -3.36093054      -0.05162210      -0.69081658       0.13535770 
O       9.43921914       8.50684092      -8.67038312       0.38996324       0.32118338       0.30442220 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0015023538720706816 0.003997471269304893 -0.001142613739480176 0.003997471269304893 -0.003433518370311249 0.00403698404784512 -0.001142613739480176 0.00403698404784512 -0.0032551691756654553" pbc="T T T" energy=-961.59199475 free_energy=-961.59199475 config_type=crystal 
Hf       2.72228659       2.98450124      -4.17389979       1.03114339       0.40378579       0.34223492 
Hf       2.92018389       2.17904109      -9.35027384      -0.87237905      -1.39963447      -1.06513401 
Hf       7.97907109       3.11812155      -4.13660476      -0.80943857      -1.71840856       0.04734065 
Hf       7.96249722       2.13558570      -9.38324253       0.59221355      -0.66599346      -0.37238626 
Hf       2.80952465       8.14573446      -4.20766327      -0.26978011       0.47351851      -0.14301523 
Hf       2.81257524       7.22086450      -9.39047334       0.91661239       0.81327634      -0.49492115 
Hf       8.00444440       8.14540565      -4.18788804       0.08785988       0.63987239       0.80990481 
Hf       7.97998824       7.22531783      -9.39753677       0.21422564      -0.21458346      -0.15798854 
Hf       0.17463551       0.76233258      -3.72105734       0.84132774       0.65443546       0.02149143 
Hf       0.27152376      -0.05163505      -8.99522376      -0.56133215      -0.86069164      -0.10477737 
Hf       5.36917039       0.78439363      -3.71704129       0.37048072       0.64081109      -0.06573171 
Hf       5.45581984      -0.06374046      -9.02240368      -0.47422124      -1.71974219       0.75115597 
Hf       0.19865091       5.94021154      -3.80217037      -0.11129847       0.20835461       0.78037900 
Hf       0.16755701       4.94869006      -8.93536622       0.04263475       0.51009700      -0.85994616 
Hf       5.39933654       5.99479027      -3.64123588      -0.34919384      -0.60189301      -0.17395417 
Hf       5.41824262       4.99603642      -8.92254144       0.30093653       0.55557356      -0.86154742 
Hf       2.42730134       1.25561680      -1.07404152      -0.48076615      -0.13054981      -0.30977238 
Hf       2.33516010       0.35368283      -6.35277717       1.18957005      -0.80235020       0.15253212 
Hf       7.64244247       1.15719062      -1.10066491      -0.89276865       1.16426914      -0.23292932 
Hf       7.63535680       0.36639999      -6.29016281      -1.37628427       0.43818753      -0.24729889 
Hf       2.37898117       6.32887318      -1.07402125      -0.11128380      -0.47323840      -0.12175628 
Hf       2.31892225       5.49576083      -6.40179831       0.68570398      -0.97391124       0.23924206 
Hf       7.66450782       6.43587201      -1.06030949      -1.05699621      -0.53202530      -0.74947916 
Hf       7.55805187       5.37910728      -6.34015557      -0.71149564       0.65080437      -0.35129851 
Hf       5.07039788       3.52964054      -1.57702626      -1.70731778      -0.70560838       0.38154259 
Hf       4.95737163       2.47514777      -6.74766112      -0.04812041       0.95199080       0.19131518 
Hf      10.15838871       3.49077934      -1.54067964       0.40052734      -0.85861161       0.10815054 
Hf      10.18834777       2.52436620      -6.79317905      -0.90092316      -0.28807644       0.84034286 
Hf       4.94612839       8.64229522      -1.53482200       0.26966532      -0.22196936       0.74435933 
Hf       5.04595377       7.65472714      -6.78564520      -0.52225517       1.28376109      -0.72796803 
Hf      10.22198043       8.65723110      -1.52814709       0.17877566      -0.63799509      -0.73000946 
Hf      10.11723025       7.72384679      -6.80710367       0.09769665       0.11151507      -1.00706758 
O       1.44820649       1.58848938      -7.91856276      -1.30003467      -0.55322861      -0.26190720 
O       6.53841273       2.39472455      -2.69683595      -0.15931909       0.05160048      -0.52645938 
O       6.52702798       1.50647478      -7.90667411       0.22319918      -0.17974784      -1.05582207 
O       1.29060327       7.46863336      -2.86692631       0.45871501       0.26420273       0.31943941 
O       1.35737598       6.58139586      -8.04305591      -0.63073914      -0.62550504       0.34239434 
O       6.58276485       7.54074927      -2.69110851      -0.52928364      -0.19881727      -0.52988660 
O       6.58797818       6.54796340      -7.94475983      -0.42214481       0.20618977      -0.15514279 
O       3.92630566       1.50561992      -5.17021304      -0.40004637      -1.00827798       0.37486477 
O       4.00248710       0.56570524     -10.41523709      -0.53843172      -0.11947037       0.20423482 
O       9.07545896       1.52703284      -5.10786719       0.57982492      -0.64987854      -0.14259215 
O       9.16846779       0.52963473     -10.36159926      -0.60672157       0.25226747      -0.22118668 
O       4.01250947       6.61846076      -5.11702643      -1.04505936      -0.35675948       0.06085829 
O       3.97992239       5.71101568     -10.31931960      -0.42560124      -0.25310447      -0.61157173 
O       9.07807077       6.56171659      -5.18158350       0.34862068       0.45557974      -0.01570197 
O       9.11647808       5.57841821     -10.48279029       1.16296099       1.12021398       1.66040803 
O       3.78439512       1.79922507      -2.54072669       0.25350650       0.71934826      -0.45538771 
O       3.87380932       0.92552380      -7.79318158       0.23843006      -0.03570764       0.21415593 
O       9.08646946       1.84035669      -2.48834442       0.23802738       0.76388991      -0.20194441 
O       9.04367744       0.97430028      -7.76949677       0.41178080       0.19796639       0.11068621 
O       3.81241795       6.98148053      -2.42930929       0.59888841       0.65927755      -0.58802435 
O       3.89452601       6.11853296      -7.75466659      -0.68735154      -0.46517892       0.63289667 
O       9.06504415       7.11238240      -2.51868061       0.01411926      -0.66631481      -0.48443184 
O       8.99350572       6.05901251      -7.77036937       0.90353087       0.55870937      -0.24687662 
O       1.27000773       2.69320086      -0.13837839      -0.33471741       1.43162256      -0.20206697 
O       1.25330211       1.89737708      -5.30619068      -0.70099237       0.31297705      -0.32564548 
O       6.42786602       2.75642969      -0.20712152       1.31531225       0.11724211       1.80990658 
O       6.38201968       1.99083884      -5.28733415       0.33934187      -0.47782605      -0.36658004 
O       1.31309286       7.85161392      -0.15828130      -0.59192798       0.64364202       0.19624775 
O       1.25182440       7.10407968      -5.50592504       0.12885187      -0.25132771       0.69996874 
O       6.50148999       7.90679832      -0.06506194      -0.43398478       0.58440438      -0.32248476 
O       6.45043561       7.03738671      -5.35092202       0.69002211       0.63991919       0.32232539 
O       3.54234478       4.70767387      -0.64650191       0.11766827      -0.01560101      -1.00989338 
O       3.39231256       3.70760036      -6.07181144      -0.31142928       0.76605420      -0.44087343 
O       8.69537802       4.64231127      -0.81905288      -0.43715509       0.17814527       0.45841637 
O       8.60757899       3.70302722      -6.04555546       0.06546821       0.30286211      -0.20750028 
O       3.43044411       9.81227709      -0.82583951       0.85846814      -0.94214874       0.08922907 
O       3.50629898       8.89083706      -6.16180271      -0.56331901       0.13055983       0.63337135 
O       8.63766742       9.74839791      -0.91972755       0.57962675      -0.72786508       1.08132091 
O       8.77291072       9.01141744      -6.05032252      -0.36613246      -0.72263515       0.70390579 
O       0.93889127       0.06871761      -1.88271971      -0.25981414      -0.14483139       0.43118208 
O       0.82865231      -0.78419088      -7.13347508       0.39545785      -0.32404053       0.81386875 
O       6.16095825       0.02541786      -1.95310860      -0.89200087      -0.65613403       1.09958021 
O       6.12136084      -0.84710576      -7.11182203       0.27506531      -0.09663718       0.44025282 
O       0.92762871       5.12721405      -1.88402095      -0.07474981       0.02877612      -0.30031791 
O       0.68356088       4.29445126      -7.03393594       1.66996748       1.08680143       0.04577727 
O       6.00082001       5.26224283      -1.66310302       0.62624668       0.33420452      -1.00375754 
O       5.98627599       4.25485713      -7.10207413       0.76912301       0.05239916       1.04991795 
O       1.82427230      -0.30979186      -4.42586616      -0.29520010      -0.96667425      -0.34483529 
O       1.65427856      -1.35886706      -9.69360528       0.43579780      -0.27655828       0.13931148 
O       6.97615534      -0.29304636      -4.38713759       0.25807742      -1.24685623      -0.61405635 
O       6.92367791      -1.37412423      -9.70536047      -0.01588278       0.67893600      -0.36924595 
O       1.59870118       4.70897334      -4.55050128       0.24475775       0.14525738       0.13878303 
O       1.60983968       3.70895030      -9.70467825      -0.18261527       0.69169586       0.30927079 
O       6.81836043       4.77242270      -4.46055831      -0.04657618      -0.30863967       0.40393006 
O       6.97142184       3.82905777      -9.67637623      -0.50745558       0.18419900       0.23875683 
O       4.21747280       4.24515771      -3.36214314       0.25846072       0.17054330      -0.27329927 
O       4.34323350       3.27762836      -8.66037627       0.44493718       0.59015380       0.40919953 
O       9.31067924       4.36996675      -3.45660504       1.31709360      -0.13756065       1.11938364 
O       9.39773828       3.32855882      -8.57449661       0.12664638      -0.30650968      -0.74805909 
O       4.26466978       9.28154389      -3.41684962       0.85415073       0.54378425      -0.10177320 
O       4.45029437       8.30090916      -8.76762022      -0.19795463       1.14768862      -0.01339980 
O       9.57111625       9.31603963      -3.41827140      -0.49188183      -0.05505633      -0.62882199 
O       9.47376126       8.44342745      -8.67697245       0.20252201      -0.04081942      -0.27653788 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002802614063709099 -0.0005705980839637528 -0.0007086498237835227 -0.0005705980839637528 -0.0013434566214836133 0.00037865208624569645 -0.0007086498237835227 0.00037865208624569645 -0.0027744822713618267" pbc="T T T" energy=-961.32247482 free_energy=-961.32247482 config_type=crystal 
Hf       2.81901130       2.99092577      -4.02957135       0.09160975      -0.24259324      -1.11243701 
Hf       2.78531776       2.15914351      -9.38950456       0.05920511      -1.30379812      -1.04061830 
Hf       8.00023144       3.06806751      -4.13268783      -0.05129718       0.12427792      -0.51012578 
Hf       7.99202467       1.98186011      -9.39748185       0.94523365       1.28838843      -0.21354936 
Hf       2.83197517       8.26607245      -4.14973217       0.89267342      -1.93703489      -0.10990682 
Hf       2.83903236       7.22863125      -9.41515937      -0.76218148       0.06813306      -0.56566630 
Hf       8.04299613       8.10832098      -4.14070293      -0.24200157       0.17598099      -1.37919986 
Hf       8.01883184       7.36415221      -9.43033230       0.01097350      -0.66711118       0.43862484 
Hf       0.21045979       0.81197822      -3.73407607      -0.38249200       0.11541088       0.73525797 
Hf       0.26525145      -0.15363530      -8.97574223       0.31897124       0.68864324       0.42903887 
Hf       5.53175015       0.73957662      -3.77139389      -1.46729875      -0.28282033       0.18553390 
Hf       5.35437690      -0.07981499      -8.88521932       0.21405470      -0.00005418      -1.13596346 
Hf       0.24655806       5.99253861      -3.74346254       0.05568383      -1.42407658       0.33639040 
Hf       0.20031834       4.97553167      -8.95189373      -1.11655384       0.75179554       0.16571033 
Hf       5.42587044       6.00947111      -3.72723536      -0.46794903      -0.93368937      -0.66941059 
Hf       5.41876338       4.93330788      -9.01545167       0.54919530       0.68614800       0.27914233 
Hf       2.36750363       1.21194810      -1.07007262       1.24641373       0.37996176       0.11110659 
Hf       2.34254095       0.24361023      -6.29969377      -0.07069624       1.44077290      -0.66053627 
Hf       7.55954557       1.23270278      -1.15119247      -0.06155372       0.00961490       1.32357561 
Hf       7.69353414       0.36884507      -6.34153839      -0.95674772      -1.21770426      -0.20623532 
Hf       2.31341362       6.45106169      -1.08462580       1.40458919      -0.71845469      -0.71642933 
Hf       2.41950113       5.48375101      -6.35469121      -0.13228985      -0.12967703       0.43344546 
Hf       7.54348862       6.37602917      -1.06771807       1.12920055      -0.46874647       0.06432945 
Hf       7.54826597       5.51359779      -6.38602527       0.05413558      -0.25197403      -0.31857980 
Hf       5.01308553       3.48128749      -1.56173962      -1.27756212      -0.05150777       1.52033663 
Hf       4.88666141       2.57625656      -6.74640808       0.43908701      -0.03657856       0.17997901 
Hf      10.17008745       3.43656162      -1.56404985       0.27837860       0.69659634       0.38229537 
Hf      10.14483322       2.62398090      -6.67737219       0.56035253      -0.59944738      -1.12073846 
Hf       5.00341788       8.59017147      -1.51628269      -0.82375255       0.11492465      -0.13704783 
Hf       4.98424467       7.72526867      -6.92160509      -0.34108399      -1.45706780       2.04507029 
Hf      10.15266760       8.62681818      -1.59442353       0.12808888       0.24632495       1.02914810 
Hf      10.20540116       7.63874670      -6.77463974      -0.61465693       0.41991722      -0.48760562 
O       1.39981577       1.36967860      -7.99849983      -0.37115804       0.46053378       0.27066070 
O       6.48719679       2.33190039      -2.66493958       0.90484297       0.36116960      -0.94314717 
O       6.60994451       1.40751025      -8.00155960      -0.72723394      -0.24773084       1.08310361 
O       1.44052899       7.62803205      -2.74716546      -1.66540413      -0.91136581      -0.14133729 
O       1.20840762       6.65489720      -8.14655881       0.69530597      -0.46987139       1.13158528 
O       6.50562616       7.53990373      -2.78754840       0.35913253       0.04746718       0.22168017 
O       6.55597254       6.54221120      -8.07401248      -0.77748420       0.25724986       0.16268507 
O       3.85317170       1.36742196      -5.10627740       0.75726403       0.41031476      -0.06362821 
O       3.95783979       0.49780592     -10.39934665      -0.26120653       0.74846547       0.18491830 
O       8.97907786       1.39145113      -5.08727953       1.22638275       0.52544979      -0.11225677 
O       9.14299869       0.50736853     -10.38053811       0.25443551      -0.39518642      -0.27835557 
O       3.94263069       6.54200742      -5.15168497       0.00842805      -0.01331922       0.00774638 
O       3.96815362       5.67411790     -10.41962937       0.15458085      -0.59217231       0.32524683 
O       9.09660685       6.55202804      -5.18366366       0.91259864      -0.00649815       0.32713682 
O       9.19885203       5.69983427     -10.48384213      -0.27881114      -0.35407083       0.58145108 
O       3.81618973       1.87291806      -2.52396755      -0.27114880       0.04492969       0.56414496 
O       3.81202925       0.98463333      -7.77515218       0.81347917       0.13832015       0.68272241 
O       9.08008649       1.83366094      -2.58790750      -0.49075460       0.72832669       1.01456559 
O       9.15937712       1.00216659      -7.73665073      -0.44608534      -0.28678349       0.08867703 
O       3.90670281       7.04601523      -2.53318129      -0.26446919      -0.21614668       0.14495920 
O       3.79132877       6.13046219      -7.86729870       0.15184816      -0.68754248       0.78202401 
O       8.99459067       6.91756495      -2.62289954       0.60743522       0.66967936       0.86767517 
O       9.03946750       6.11664383      -7.76333734       0.14926872       0.20472793      -0.28479460 
O       1.31829517       2.88242440      -0.14825734      -0.62962306      -0.61123746      -0.49220055 
O       1.20095529       1.86360438      -5.26532986       0.04876040       0.23311063      -0.22397354 
O       6.42723772       2.79997116      -0.05549391       0.53264607       0.18220209      -0.65812250 
O       6.43998214       1.94832783      -5.34249950      -0.40382324      -0.38009259      -0.10523823 
O       1.32213034       8.03605251      -0.24485075      -0.42007267      -0.24359746       0.97237860 
O       1.29785850       6.98390216      -5.36575578      -0.48011334       0.22361173      -0.08881708 
O       6.49320550       7.99544189      -0.14232860       0.04401900      -0.89870709       0.05925003 
O       6.45884936       7.12013618      -5.48207926       0.21991558      -0.66414925       0.92950606 
O       3.40391478       4.72422630      -0.88628875       0.79219574      -0.90191688       0.73911015 
O       3.39539421       3.75859842      -6.05321238       1.06460912      -0.73154583       0.28186792 
O       8.64039923       4.55933686      -0.83041409      -0.11032273       0.64007637       0.20631950 
O       8.63795970       3.72224110      -6.08099987      -0.25142794       0.40941708       0.99723995 
O       3.50007644       9.73327953      -0.73123396       0.14717251       0.89209819      -0.87705933 
O       3.42469370       8.86106880      -6.07383385       0.27861139      -0.10536813       0.18433105 
O       8.60327180       9.77249803      -0.77528150       0.51171428       0.44891622      -0.71145801 
O       8.74880045       8.89143635      -6.06083476      -0.20911125       0.18893463       0.17852702 
O       0.81776744       0.15183333      -1.73694051      -0.48740960      -0.70059664      -0.67769098 
O       0.84740025      -0.88888057      -6.99179100       0.06799128      -0.16841600      -0.61807262 
O       6.07963809       0.03115474      -1.85921720       0.31887430      -0.09136498      -0.25068248 
O       6.02647708      -0.94606955      -7.01664001       1.27957013       2.12220336      -0.54487438 
O       0.86268323       5.24208422      -1.82108611      -0.46189900      -0.06449183      -0.06606471 
O       0.95784919       4.24293313      -7.00129256      -0.54376609       0.54658203      -0.57561253 
O       6.09175889       5.23418937      -1.81028752      -0.25395147      -0.29116672      -0.28936035 
O       6.12963401       4.22222912      -7.10821802      -0.96954326      -0.12800978      -0.04502622 
O       1.60115807      -0.48705218      -4.41327281       0.17135379       0.32142028      -0.27045194 
O       1.76812263      -1.32106213      -9.68084423      -0.56962570       0.52125112       0.16124592 
O       6.98528083      -0.49863182      -4.53365320      -1.40638730       1.31380768       0.73708063 
O       6.84287176      -1.25997465      -9.73170812       0.37436773      -0.63838129       0.30693518 
O       1.61963835       4.60339453      -4.38224474       0.47357848       0.80673319      -0.06278035 
O       1.67417348       3.84467147      -9.59161646       0.60615402       0.19102742      -1.04887999 
O       6.96988137       4.78353666      -4.51384899      -0.81133649       0.24650541       0.98954743 
O       6.85811141       3.69697603      -9.69886838       0.21140915       0.97505767      -0.63278979 
O       4.46282268       4.11328443      -3.40129521      -0.62167309       0.93708923      -1.25014135 
O       4.30111831       3.27183293      -8.67724630       0.19792730       0.28248699       0.31397213 
O       9.53263984       4.19810739      -3.42608142      -0.10019371       0.05125126      -0.25188293 
O       9.45981998       3.34383239      -8.51885412      -0.27302961      -0.20226219      -1.20438386 
O       4.24032157       9.40385888      -3.36915291       0.95382815       0.67593598      -0.29592280 
O       4.23566412       8.50073733      -8.61270950       0.06477582       0.20792722      -1.00559388 
O       9.38116233       9.42984235      -3.31802126       0.31248199      -0.68604672      -0.51540682 
O       9.51790526       8.51826332      -8.65394057      -0.65815767      -0.78101726      -0.11975472 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00022021965332625083 -0.0027817637220137375 -0.001194662745137468 -0.0027817637220137375 -0.00500657082113378 0.0028338571547329872 -0.001194662745137468 0.0028338571547329872 -0.005362902153515184" pbc="T T T" energy=-961.94901888 free_energy=-961.94901888 config_type=crystal 
Hf       2.82637729       3.02006719      -4.17743009      -0.08292505      -0.63228418       0.70299063 
Hf       2.84875009       2.18237766      -9.46438853      -1.48756596      -0.09215830       0.96776149 
Hf       8.06800027       3.07883740      -4.11805191       0.11234805      -0.83998922      -0.51354985 
Hf       8.01061706       2.07037267      -9.44918400      -1.06433314       1.53075933       0.31795683 
Hf       2.79617510       8.12806182      -4.17009228       0.40771296       0.52346093       0.43505177 
Hf       2.82167911       7.20172822      -9.33619865       0.18859314       0.62636922      -1.65807688 
Hf       7.98856782       8.02917109      -4.18003350       1.33755145       1.60599020       0.04836568 
Hf       7.94988444       7.34962796      -9.45418868       0.56928573      -1.29530517       0.33945160 
Hf       0.16676236       0.81423068      -3.66842284       1.17259979      -0.97069702      -0.77562956 
Hf       0.22739441      -0.08963771      -8.95587471      -0.39502742      -0.76729404       0.97386234 
Hf       5.44599468       0.74808554      -3.70920050      -0.65951470       0.10127354      -0.97669931 
Hf       5.32501704      -0.10847776      -8.93133064       0.35629989       0.04527224      -0.77714811 
Hf       0.26217239       5.90769844      -3.71753628       0.13698769      -0.41827361       0.07648346 
Hf       0.15405555       5.05621047      -8.98333342      -0.24262225      -0.48697705      -0.19260928 
Hf       5.40421146       5.96206856      -3.74917486      -0.01431546      -0.27185875       1.99350663 
Hf       5.40126726       5.03966756      -8.98720152       0.64239417      -0.30352804      -1.11107466 
Hf       2.38419678       1.24704688      -0.96541559      -0.29469140      -0.24836941      -1.57166614 
Hf       2.38295525       0.27139935      -6.35324833      -0.00859952       0.78853876       1.21842278 
Hf       7.57097989       1.25188632      -1.10606379      -0.25496260      -0.29891204      -0.44259013 
Hf       7.56880904       0.38272089      -6.30585803      -0.09893507      -0.70236586       0.37532105 
Hf       2.33779736       6.38218593      -1.09026083       0.71015514      -0.14172491      -0.16287077 
Hf       2.43700847       5.46662919      -6.37458384      -0.73971893       0.01249079       0.42595480 
Hf       7.63787427       6.45616196      -1.10445647      -1.05038069      -0.86933714       0.26118656 
Hf       7.53035622       5.38349929      -6.33973712       0.76511584       0.15393910      -0.88396048 
Hf       5.00323948       3.50180279      -1.63059006      -0.09139306       0.72965602       1.09434247 
Hf       4.94026536       2.56630686      -6.80185789       0.12965102      -0.89805481       0.51474527 
Hf      10.23285699       3.39428142      -1.44985809      -0.59408439       1.03450809      -1.19582725 
Hf      10.24084079       2.56375078      -6.76218815      -0.56541523       0.12722403      -0.07788642 
Hf       4.93365889       8.63092761      -1.55149514      -0.06852807      -0.39213158       0.50741893 
Hf       5.03302035       7.76442346      -6.74241418      -0.46555246      -0.86022530      -0.49311228 
Hf      10.19742099       8.63469410      -1.58470177      -0.38896015       0.30227271       0.33201249 
Hf      10.18315065       7.65779861      -6.79254765      -0.86590166       0.65670221       0.03992628 
O       1.28671938       1.53694260      -7.94200710       0.16680643      -0.52101455      -0.18801825 
O       6.62883791       2.34031515      -2.79997795      -1.31843144       0.16874323       0.80019818 
O       6.40553790       1.53433821      -8.02169583       0.86454901      -0.54231518      -0.34573634 
O       1.45207510       7.43563672      -2.73859867      -1.40718436       0.05363012       0.08919817 
O       1.34376989       6.58092821      -8.09413233      -0.68113919      -0.04758785       1.18690790 
O       6.50474704       7.46814951      -2.72227624       0.79491231       0.47708928      -0.59919669 
O       6.48008193       6.56001020      -8.05147234       0.13087568       0.63708830       0.78771082 
O       3.89963409       1.41737639      -5.18105175       0.98606972       0.10905445       0.67609613 
O       3.80313453       0.58927285     -10.31394550       1.57993574      -0.84278472      -0.46968298 
O       9.12242632       1.39111333      -5.14692117       0.36419497       0.39722869       0.31882100 
O       9.06403400       0.50166083     -10.39562724       0.73959908       0.15532918       0.45774398 
O       4.01721212       6.60217669      -5.09907305      -0.52136217      -0.11413536      -1.00076656 
O       3.91631165       5.66422204     -10.43271520      -0.05300533       0.27911689       0.78953858 
O       9.18389302       6.49904635      -5.15843443      -0.08565996      -0.08709215       0.28228316 
O       9.09794980       5.71976419     -10.45178910       0.44517412      -0.10629211       0.66099668 
O       3.73005221       1.94577106      -2.51248316       0.60926813      -0.01805596       0.01678191 
O       3.84202614       0.95204259      -7.72968611      -0.18536724       0.04462686      -0.46518465 
O       9.05657824       1.91956227      -2.49981788       0.56033024      -0.60112424       0.06697824 
O       8.94995064       0.99108222      -7.72348205       0.74427229       0.01703420      -0.70969948 
O       3.87780304       7.02201234      -2.46626053       0.01605578      -0.03315000      -0.51302241 
O       3.85534338       6.07873395      -7.77917789       0.07942999       0.20918852       0.48772176 
O       9.14283327       7.11736576      -2.53613962      -0.88937207      -1.64481442      -0.10952813 
O       8.97612483       6.13476389      -7.75950242       0.47502383      -0.15013961      -0.02359711 
O       1.18534834       0.97780384     -10.48899760       0.15429841       0.65287586      -1.08910906 
O       1.39627995       1.93074179      -5.30215342      -1.82170412      -0.17574310      -0.07680964 
O       6.49317505       2.74856007      -0.14369043      -1.17924549       0.71123403       0.13657587 
O       6.46098581       1.92083659      -5.33569859      -0.13888489      -0.23961473      -0.48688728 
O       1.22251245       7.95631546      -0.12063587       0.22523554      -0.04369064      -0.20291146 
O       1.34692688       7.10970996      -5.46066164      -0.16788581      -0.60099863       0.31619381 
O       6.48407928       8.00890354      -0.16301308      -0.60418070       0.04256260       0.10282966 
O       6.53960305       6.99346047      -5.34531282      -0.54604348       0.19849930      -0.72266665 
O       3.49138703       4.66500052      -0.77547114       0.21134118      -0.09661039      -0.30993875 
O       3.47713643       3.75530369      -6.02253891       0.28633468       0.45981294      -0.29970423 
O       8.63094396       4.65766059      -0.96149216       0.41787498      -0.55991122       1.10136947 
O       8.68847804       3.72783399      -6.03077715      -0.22838349       0.36765014       0.10774647 
O       3.47336257       9.85554470      -0.69569620       0.63008396      -0.70634024      -0.60870188 
O       3.54765027       8.93426136      -5.98898534       0.10284563      -0.40045740      -0.69920182 
O       8.64756074       9.82294193      -0.84280593       0.36496216      -0.14444003      -0.11375987 
O       8.70481844       8.87880510      -5.98344744      -0.29445304       0.13611941      -0.90937871 
O       0.86655424       0.02871731      -1.85312623       0.56706658       0.77299654       0.52684919 
O       0.91930016      -0.89126819      -7.10792348      -0.23883640      -0.05150286      -0.02452633 
O       6.03517085       0.07654429      -1.86504954       0.11925104      -0.08155832       0.40706663 
O       5.99106353      -0.80984379      -7.08457921       1.13656470       0.25334297       0.36365368 
O       0.99185735       5.06727613      -1.87056560      -0.50046222       0.06912767       0.04018598 
O       0.88637186       4.33632510      -7.03543490      -0.23171294      -0.27547674      -0.37016407 
O       5.99189704       5.28358849      -1.70433431       0.13412378      -0.85794568      -0.79397139 
O       6.06216338       4.23976220      -7.17761618       0.32548887       0.10885261       1.02272460 
O       1.71549516      -0.46825039      -4.39833573      -0.32013619       0.79510100      -0.61534665 
O       1.73996316      -1.25783875      -9.67004228      -0.31143029      -0.91004746       0.97083735 
O       6.84979481      -0.50218072      -4.45732591       0.21841653       0.13676546      -0.12053054 
O       6.82992857      -1.33753387      -9.74369968      -0.31699086       0.68218170       0.37607850 
O       1.75942190       4.76239718      -4.45103386      -0.00346633       0.18658651      -0.22199452 
O       1.58653789       3.79001131      -9.78001680      -0.16939042       0.30091756       0.44074051 
O       6.85824981       4.67843439      -4.41333319       0.29985511       0.33256053      -0.37861139 
O       6.95350699       3.87927560      -9.72415022      -0.14527606      -0.34219890       0.15579818 
O       4.31587834       4.26150419      -3.39996478       0.05789523      -0.24858168      -0.42993912 
O       4.19176180       3.34081714      -8.63807041       0.77599208       0.64656954       0.20028034 
O       9.60497552       4.15294255      -3.41626316       0.10853251       0.57263411      -0.27796059 
O       9.42142368       3.33559778      -8.59765901       0.44962303      -0.15017034      -0.48896866 
O       4.28388683       9.31820967      -3.42947279       0.41111797       0.55396547       0.32037955 
O       4.34474009       8.35519353      -8.64732226      -0.03757014       0.82589295       0.22093452 
O       9.59279393       9.23618099      -3.54487054      -0.19852840       1.06724525       0.70214409 
O       9.52215998       8.42955054      -8.66527375      -0.09696945       0.41504091      -0.32016902 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00455614177939701 -0.004035849965636947 0.001023213208030354 -0.004035849965636947 -0.005985327863049043 0.0030091952581311815 0.001023213208030354 0.0030091952581311815 -0.00700581421815739" pbc="T T T" energy=-961.21909723 free_energy=-961.21909723 config_type=crystal 
Hf       2.82755836       2.96065081      -4.13014816      -0.51552870       0.96958331      -0.45028723 
Hf       2.75935407       2.05942825      -9.36984473       0.17351097       0.63973614      -0.47029007 
Hf       7.98789536       2.99984665      -4.19681270       1.10600837      -0.26834174       1.00906837 
Hf       8.00252167       2.18050197      -9.33477981       0.05078387      -0.70850408      -1.62893863 
Hf       2.88441634       8.10599215      -4.14151662      -1.23436870       0.34400957       0.12151705 
Hf       2.82410701       7.30204153      -9.40873753      -0.24857992      -0.08436124       0.38456432 
Hf       7.98050121       8.13858431      -4.17643547       1.37825857       0.59892977      -0.03023844 
Hf       8.05424446       7.24696595      -9.45138419       0.84527208      -0.03929948       0.47452988 
Hf       0.20316715       0.84538156      -3.72047750      -0.44986872      -0.48537943      -0.08478543 
Hf       0.18041397      -0.09584685      -8.93939761      -0.39676452      -0.29960743      -0.30029674 
Hf       5.45836599       0.75991180      -3.79366867       0.01247134      -0.17295275       1.06339490 
Hf       5.39795494      -0.12906467      -8.97187382       0.34384299       0.28164523      -0.69120325 
Hf       0.21067591       5.90869296      -3.72299491      -0.25911296       0.87499170      -0.00543626 
Hf       0.21380817       5.02196537      -8.88992851      -0.31502987       0.60733472      -1.18460514 
Hf       5.39256040       5.89977532      -3.74158189       0.08673523       0.68568077       0.72692497 
Hf       5.42052567       5.07728471      -8.98453647      -0.11513697      -0.56555970      -0.06849392 
Hf       2.41599389       1.23990738      -1.04891352      -0.97862175       0.56108850      -0.14076173 
Hf       2.35292480       0.28056793      -6.22968878      -0.90164516      -0.48589600      -0.87040550 
Hf       7.58612135       1.19060430      -1.03610784       0.42432546       1.40099755      -0.66461831 
Hf       7.48547929       0.40621741      -6.45213171       1.87221190      -2.06694991       1.83775501 
Hf       2.45563557       6.34770942      -1.05990469      -0.91506861       0.45724763      -0.17866496 
Hf       2.39812134       5.46441011      -6.36686087      -0.85326772       0.63198620       0.91497709 
Hf       7.57136921       6.41562367      -1.19911850       1.84976145      -0.38576239       1.42341550 
Hf       7.45673277       5.38071156      -6.31760105       1.96389593       1.16679162      -1.11518557 
Hf       4.97878685       3.45684103      -1.54200408       0.49176459       0.10337804       0.14530613 
Hf       4.87787745       2.51145932      -6.82249815       0.28190831       1.06983041       0.16269659 
Hf      10.15793101       3.53233345      -1.52717705      -0.71050456      -0.89824299       0.94192417 
Hf      10.20471862       2.55596080      -6.76093081      -0.81473104      -0.97942619      -0.51745178 
Hf       5.03052408       8.65428871      -1.53997495      -0.21069827      -0.13971625       0.64726409 
Hf       5.02246308       7.71840862      -6.79327965      -0.44396636      -0.35667257      -0.06184851 
Hf      10.30518113       8.69845368      -1.61445812      -1.33352747      -1.48699348       0.45250340 
Hf      10.14652164       7.75866229      -6.74617224      -0.59767587      -0.93256089      -0.09121133 
O       1.30493170       1.41594934      -7.96526002       0.12814149       0.75663374       0.56245063 
O       6.50996837       2.37546648      -2.83203329       0.07741211      -0.16037555       0.25503433 
O       6.57006947       1.48267428      -7.98919579      -1.47876022      -0.11122552      -0.14753248 
O       1.33963653       7.54269834      -2.81561794       0.64244698      -0.48790558       0.88782741 
O       1.40756360       6.62799717      -7.94153731      -0.28683018      -0.53718119      -0.37076741 
O       6.57157793       7.53237119      -2.70894606      -0.30114239      -0.40578473      -0.34356612 
O       6.63731234       6.62134724      -8.00347952      -1.05989426      -0.59305464       0.64322779 
O       3.95484853       1.44825008      -5.09883269      -0.85806216      -0.21801364      -0.27853480 
O       3.86062861       0.47629445     -10.38202027       0.52331949       0.36835291       0.87077410 
O       9.12546153       1.46999639      -5.19658894      -0.41561847       0.09085915       1.08623433 
O       9.14265207       0.57549122     -10.31860535      -0.52149856      -0.08324466      -0.10989923 
O       3.85263556       6.51118569      -5.14851715       0.92136864       0.12580762       0.80553678 
O       3.93906048       5.75383443     -10.40463580       1.02315268      -0.51586313       0.40312463 
O       9.05640753       6.57594801      -5.08315206       0.14511952      -0.60605210      -0.77181873 
O       9.13143304       5.68707246     -10.45045731       1.06871259      -0.02883931       0.50622576 
O       3.79626624       1.97288504      -2.55048762      -0.02637206      -0.58796492       0.82563791 
O       3.77747279       0.96700902      -7.61530209       0.56021717      -0.17193768      -1.64188620 
O       9.10092288       1.87340321      -2.44118745      -0.01809486       0.16266134      -0.97131356 
O       9.00286977       0.96944890      -7.67470117       0.83195037       0.65748533      -1.01437263 
O       3.91373257       7.05907234      -2.45696972      -0.05306748      -0.72600642      -0.69928569 
O       3.89022090       6.12384091      -7.68380318       0.41639691       0.01480793      -0.89746612 
O       9.15506847       7.00145619      -2.52577060      -1.05999949       0.17508743       0.42398397 
O       9.13204638       6.15402389      -7.81485520      -0.39229331      -0.61052511       0.59520006 
O       1.24751170       1.04363162     -10.48499457       0.03640351       0.01377426      -1.68991898 
O       1.20559185       1.86738751      -5.36505906       0.87871728       0.42751382       0.67901700 
O       6.34971656       2.84924267      -0.07485132       0.30331829      -0.37121568      -0.39113002 
O       6.37016892       1.79153350      -5.44275793       0.22458063       1.61449057       0.15932589 
O       1.44896134       8.13280120      -0.19636745      -1.09794807      -1.08240737       0.02354653 
O       1.19963790       7.04868099      -5.28578836       0.52765813      -0.14215887      -0.91736432 
O       6.59802975       7.98483261      -0.16527511      -1.57233973      -0.06401259       0.05955935 
O       6.41643202       7.21941962      -5.32450297      -0.48454644      -1.75947470      -0.30287162 
O       3.51038247       4.59017757      -0.77213458      -0.35767206       0.59563251      -0.55098022 
O       3.46910141       3.79501233      -6.06957292       0.12154563      -1.13799124      -0.12930556 
O       8.55165624       4.52487077      -0.81849550      -0.15958265       1.28794787      -0.05260537 
O       8.65749023       3.72483394      -6.08517658      -0.72812499       0.75985064      -0.20399175 
O       3.52873900       9.90586076      -0.72425832       0.85010151      -0.58258371      -0.94226220 
O       3.50861092       8.86372405      -6.04515423      -0.28478322       0.33971089       0.15172669 
O       8.76920990       9.90520532      -0.74786447       0.49616134      -0.71845563      -0.47199151 
O       8.67480919       8.88075592      -6.05565093      -0.89273379       0.85030016       0.13006067 
O       0.93341828       0.06668019      -1.89903111       0.52157381       0.89485239       0.43478192 
O       0.82799596      -0.87152751      -7.11480682       1.32465829       0.50383908       1.30463980 
O       6.15868829      -0.00111361      -1.87834328      -0.09003186       0.65829489       0.09077192 
O       6.06841564      -0.86704940      -7.10659379       0.07382467       0.45513926      -0.04748341 
O       0.87736316       5.16977791      -1.74990180       0.55484349       0.69419012      -0.66639925 
O       0.86918943       4.22798037      -7.07655928       0.50906715       0.70281382      -0.00750553 
O       6.10727222       5.19714088      -1.79923912      -1.07991728      -0.42088915      -0.79737071 
O       5.96886134       4.22924903      -7.10173066       0.82668622       0.86162874       0.77746751 
O       1.70712568      -0.40121427      -4.37869543       0.88960099      -0.48768007      -0.48548847 
O       1.67726854      -1.30136459      -9.64896582       0.36089193      -0.18338518      -0.34293047 
O       6.91036753      -0.39999765      -4.44106334       0.24654342       0.00132295      -0.60939854 
O       6.90417637      -1.26074991      -9.74753975      -0.22128736      -0.48718195       0.66587286 
O       1.66301856       4.66935781      -4.42190943       0.56379090      -0.38303574      -0.17567526 
O       1.71179009       3.86785795      -9.76797179       0.15057205      -0.17270355       0.95564231 
O       6.99169091       4.78587784      -4.43940897      -1.13174555       0.07746541      -0.07984557 
O       6.90328789       3.86729064      -9.57015158       0.34118585       0.40162129      -0.95309185 
O       4.40293239       4.18358428      -3.53707827      -0.30844476       0.07646667       0.50459199 
O       4.33814734       3.27912593      -8.80206140      -0.42351286      -0.32653182       0.90588915 
O       9.41408533       4.27119653      -3.39397714      -0.04294940      -1.03067626      -0.14958055 
O       9.54279989       3.27245821      -8.72746556       0.56381915       0.49899260       0.61500911 
O       4.41476008       9.27624223      -3.42235003      -0.62557630       0.53533542      -0.43097350 
O       4.48745329       8.37353935      -8.71787422      -0.96566708      -0.03971122      -0.13141206 
O       9.52429986       9.32444494      -3.50277202       0.26416227       0.64392607       0.76872043 
O       9.40533670       8.51956977      -8.61978952       0.28686520      -0.10968992      -0.19015069 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00010986954728630628 -0.0005781567762095259 -0.0009891428506856414 -0.0005781567762095259 -0.005332512464034078 -0.002072475966065476 -0.0009891428506856414 -0.002072475966065476 -0.0021274059961616937" pbc="T T T" energy=-961.72885795 free_energy=-961.72885795 config_type=crystal 
Hf       2.85814624       2.98818074      -4.18675849      -0.31367804       0.16378387       0.68207112 
Hf       2.83499189       2.14743242      -9.42582555       0.94622673      -0.62644548      -0.47789100 
Hf       8.06685391       2.94863399      -4.14534776      -1.42019482       0.45079020      -0.13062633 
Hf       8.01975522       2.05756133      -9.40711635      -0.12886673       1.10491237       0.43599711 
Hf       2.74534712       8.11905850      -4.18120032       0.37552852       1.24737014       0.51883471 
Hf       2.81196949       7.32029679      -9.37415249       0.02586266      -0.64831098      -0.20213782 
Hf       7.98742457       8.22281364      -4.12166033       0.11584941      -0.32008797      -0.38976598 
Hf       8.11411126       7.26939108      -9.48227575      -1.23227925      -0.54486406       1.39607995 
Hf       0.27294307       0.83866272      -3.74035038       0.34807433      -0.54954677       0.31846706 
Hf       0.24197823      -0.07131539      -8.98584054      -0.09456881      -0.52502777       0.62726411 
Hf       5.33922858       0.71826191      -3.71912901       0.67860380       0.51986363       0.32886968 
Hf       5.41182006      -0.11820160      -8.94191670       0.28934610       0.73431438      -0.30889159 
Hf       0.17712887       5.91402508      -3.78216476       0.44169796      -0.41373957       1.01348848 
Hf       0.30776241       4.93328792      -8.98823121      -1.70007820       1.65515428       0.58016117 
Hf       5.36725588       5.96465629      -3.74468030       0.82691494      -0.15001871       0.06634462 
Hf       5.48154486       5.05857462      -8.88691537       0.01410889       0.13498585      -0.27540737 
Hf       2.42613700       1.19449336      -1.13826110      -0.41702976       1.41741168       0.09606213 
Hf       2.37252380       0.30949005      -6.37697996       0.06739830       0.64660055       0.63444906 
Hf       7.58205947       1.24629879      -1.07664367      -0.20224495      -0.34186459      -1.04350855 
Hf       7.53284750       0.38848602      -6.29753758       0.70134662      -0.05167148      -0.54951360 
Hf       2.36982181       6.39103031      -1.09071992       1.20708257       0.27769509      -0.22514107 
Hf       2.35249661       5.46580215      -6.32736396       0.79877738       0.10203910      -0.56724266 
Hf       7.49823494       6.37862830      -1.10866584       0.76442635      -0.29737166       1.03809877 
Hf       7.59178863       5.45034986      -6.28895020      -0.84400613       1.06204725      -0.18141870 
Hf       5.06385178       3.46447336      -1.53678802      -1.00580808       0.30004537      -0.43056301 
Hf       4.89360285       2.59297206      -6.80453522       1.86061949      -0.21785627       0.22123425 
Hf      10.17685631       3.51040322      -1.51180513       0.54961015      -0.21601648       0.00977587 
Hf      10.18842050       2.57391205      -6.75877808      -0.46892669      -0.96302542      -0.15317205 
Hf       4.94670079       8.59910127      -1.42739230       0.15785201       0.45307825      -1.20608380 
Hf       4.97963824       7.73301534      -6.80442749       0.56458580       0.00218771      -0.02818223 
Hf      10.15082540       8.57676700      -1.61061679       0.73406840       1.06390040       1.07296514 
Hf      10.09724224       7.68771021      -6.76318150      -0.33110244       0.76267027      -0.44123771 
O       1.30246514       1.41776435      -7.98785035       0.72201520       0.96346240      -0.43476001 
O       6.48842741       2.30938886      -2.81973249       0.78035459       0.58143705       1.03590514 
O       6.51907328       1.50051978      -7.97772117       0.13887551      -0.07881754      -0.00729758 
O       1.29366477       7.48736153      -2.69112048       0.24343552      -0.29279838      -1.27647170 
O       1.42896813       6.51542533      -7.98709725      -0.76762015       0.23669460       0.11944812 
O       6.43470689       7.60971475      -2.79027572       0.45139076      -0.34184424       0.86883126 
O       6.64384503       6.62627384      -7.95789218      -0.66748037       0.06720405      -0.21963081 
O       3.91274820       1.34845396      -5.13869365       0.27433997       0.70564962      -0.37660644 
O       4.00764723       0.58859921     -10.35009345      -0.06479750      -0.25385355      -0.47448778 
O       9.15912713       1.28860115      -5.15520645      -0.29845827       1.61252900       0.15935027 
O       9.15740899       0.50636944     -10.40177240       0.11847543       0.23824467       0.04037261 
O       3.90185647       6.59346148      -5.15346577      -0.19699040      -0.07176666      -0.05913933 
O       3.86831067       5.72326474     -10.41223875       0.91814628       0.00039396       0.59141982 
O       9.04352398       6.55126465      -5.12160353       1.00348219       0.37809704       0.52068881 
O       9.17083959       5.68520188     -10.31183383      -0.09758342      -0.12266625      -0.74179223 
O       3.85910705       1.98148251      -2.58676756      -0.39967771      -0.56415343       0.98321577 
O       3.86737513       1.04193751      -7.76852064      -0.43027569      -0.07270635      -0.06724040 
O       9.10833261       1.86806556      -2.57353871      -0.39124028       0.42576287       0.78148653 
O       9.08868435       0.98003374      -7.70488625      -0.65996305       0.02855959      -0.68455410 
O       3.87733703       7.11023160      -2.48096335      -0.46600104      -0.50628333      -0.34536984 
O       3.95443728       6.21839133      -7.84217038      -0.40143473      -0.40265696       0.95204621 
O       9.04460509       7.06259432      -2.48345839      -0.55412587      -0.62794857      -0.32906844 
O       9.03842556       6.03734906      -7.71916201       1.28597820       0.94239947      -0.15158625 
O       1.34517061       2.84045877      -0.18394316      -0.43143402      -0.17429112       0.12101556 
O       1.26973093       1.86606535      -5.33444849      -0.00559006       0.75810531      -0.20211669 
O       6.55557511       2.88350820      -0.18000733      -0.01677438      -0.42709137       0.28044916 
O       6.52005849       1.98888897      -5.28346469      -0.87468085      -0.70468765      -1.26408031 
O       1.21444677       7.96624084      -0.15318652       0.52696892      -0.13072695       0.26695961 
O       1.21088560       6.96939890      -5.38785048      -0.37517985       0.85136478       0.20595349 
O       6.49525966       6.10119118     -10.49832989      -0.69208297       0.59444490      -1.40395074 
O       6.43283279       7.08356966      -5.38672377      -0.27454127      -0.10807396       0.36222857 
O       3.60392598       4.65397427      -0.77134210      -0.67825488       0.73547946       0.21025030 
O       3.43878222       3.71391809      -6.08712486      -0.25701824       0.52745258       0.23896520 
O       8.69823369       4.71629524      -0.74065351       0.30348350      -0.24221758      -0.62083850 
O       8.67466923       3.78275542      -6.06454619       0.75339557      -1.34373179       0.68409584 
O       3.49151535       9.84864072      -0.71793592       0.78774402      -0.29800504      -0.28747684 
O       3.38670533       8.87919473      -6.14984685       1.06310707      -0.81327966       0.85444387 
O       8.68835273       9.79066521      -0.86285649      -0.17073988       0.16569369       0.57284173 
O       8.63624000       8.90513447      -5.98709692       0.71858843      -0.38164915      -0.51268970 
O       0.89891357       0.13308058      -1.80773157      -0.31420448      -0.70493108      -0.20759764 
O       0.92241693      -0.81795860      -7.01439372      -1.92963184      -1.87927799      -1.07109642 
O       6.19226889       0.03143057      -1.91765863      -1.14737314      -0.98102198       0.78878456 
O       6.17696346      -0.86704449      -7.13971463      -0.87456632      -0.40818413       0.42181422 
O       1.08870114       5.08267419      -1.82878587      -1.62339200      -0.36121405      -0.91753400 
O       0.90159956       4.23380156      -6.96806293      -0.15211041       0.20950846      -1.33941406 
O       6.06676140       5.23096050      -1.83596124       0.03815106      -0.01284213      -0.00099148 
O       6.08883225       4.29607355      -6.97182781      -0.73842090      -0.27523051      -0.79055304 
O       1.66949234      -0.46829694      -4.46901401       0.03877102      -0.13858171      -0.11870087 
O       1.70579613      -1.27770232      -9.66585738      -0.22682956       0.05054428      -0.13564810 
O       6.85582347      -0.43995817      -4.47489812      -0.67029577       0.41843324      -0.08245599 
O       6.80748106      -1.30960353      -9.74514792       0.97515627      -0.44157038      -0.72437611 
O       1.65461458       4.69999720      -4.52113923       0.12395400      -0.15819270       0.70874793 
O       1.73414574       3.84336333      -9.74964627       0.52763459      -0.66749802       0.22560675 
O       6.89968911       4.75529303      -4.33334414       0.74436546      -0.30936429      -0.51804471 
O       6.84819491       3.76166693      -9.69551281       0.52690796      -0.01828940      -0.06823017 
O       4.30947938       4.25709295      -3.43024185      -0.38088640      -0.04163519      -0.26094190 
O       4.29236812       3.42484101      -8.66221881      -0.52064029      -0.77413317       0.43694490 
O       9.52624617       4.19616862      -3.36805455       0.09605789       0.55888827      -0.39342526 
O       9.59805527       3.25288708      -8.73565875      -0.19195421      -0.25146411       0.52128600 
O       4.02869662       9.49223014      -3.29074683       0.94645439      -0.63622301      -0.11044655 
O       4.24162078       8.57046281      -8.66199925       0.19860928      -0.39189702       0.34597847 
O       9.53578020       9.41590774      -3.43721981      -0.62739824      -0.98062318       0.15271137 
O       9.42329560       8.50834099      -8.63607425       0.91650459       0.08224282       0.39633128 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006493900032572489 -0.001394348632352731 -0.0003586541287271292 -0.001394348632352731 -0.008385864826370585 0.00223455071277495 -0.0003586541287271292 0.00223455071277495 -0.007702493645075164" pbc="T T T" energy=-961.59719551 free_energy=-961.59719551 config_type=crystal 
Hf       2.84945996       3.07242460      -4.20080481       0.37348427       0.20098946       0.71955957 
Hf       2.84284383       2.07760468      -9.36380112      -0.79965658       0.30182039      -0.79813944 
Hf       8.01819086       2.94627565      -4.16137217      -0.28354020       0.14158463       0.28532176 
Hf       8.03624524       2.14170351      -9.36236390      -0.36213977      -0.83860062      -1.01077069 
Hf       2.80665786       8.23081701      -4.08766867       0.00304171      -2.22443614      -0.21358942 
Hf       2.80710860       7.26882939      -9.44755357       0.34669609      -0.05880432      -0.49565101 
Hf       8.04578966       8.24106068      -4.17510925       0.03820694      -0.74542347       0.75939135 
Hf       8.08259251       7.17438581      -9.39374763      -1.11268895       0.60542515      -0.17523101 
Hf       0.30719728       0.82369984      -3.62700937      -1.91645661       1.01746406      -0.50759628 
Hf       0.16720499      -0.13285590      -9.05767872       1.03005277       0.09237075       0.57711614 
Hf       5.37008827       0.81407388      -3.71500806       0.32451431       0.19461158       1.09776290 
Hf       5.40250953      -0.12743283      -9.07374808       0.74469314       0.21231390       0.80117713 
Hf       0.24750930       5.88644901      -3.74731132      -1.07780825       0.56663353       0.44626596 
Hf       0.24574627       4.93833078      -8.97120997       0.55004360       1.05621829      -0.60397055 
Hf       5.46616536       5.97924444      -3.73773815      -1.37050245      -0.20672182       0.21331936 
Hf       5.35498754       5.03790709      -8.91358528       0.55427659       0.14260240      -0.25937855 
Hf       2.37064337       1.23718232      -1.11910667       0.25786112      -1.00663155      -0.35581298 
Hf       2.39242714       0.30582299      -6.32865680      -0.32364158       0.74959616       0.06014939 
Hf       7.59481709       1.19344212      -1.07020419      -0.96242651       0.39738652      -0.75854283 
Hf       7.50880426       0.33677557      -6.32409870       0.63391511       0.25624526      -0.40405417 
Hf       2.41717506       6.33670447      -1.08623333      -0.22759238       0.41959887      -0.50119538 
Hf       2.37220773       5.54823616      -6.41488477       0.37828193      -0.20470863       1.43298219 
Hf       7.46866270       6.31491302      -1.01356487       1.54745770       0.50178268      -1.57832525 
Hf       7.56615349       5.45222173      -6.33264681       0.51712076       0.44491237       0.63112469 
Hf       4.95668784       3.52291263      -1.50602257       0.14897081      -1.17263329      -0.51441288 
Hf       5.02152993       2.56840805      -6.76270352      -0.58729446      -0.38942888       0.05161276 
Hf      10.18959804       3.46936405      -1.58680304      -0.67648334      -0.71923855      -0.00782130 
Hf      10.17764099       2.52852555      -6.71888657       0.09043609       0.19212554      -0.44731759 
Hf       4.98988940       8.60267694      -1.53828131       0.03132926      -0.34437005      -0.05859016 
Hf       4.98568767       7.78235865      -6.80032281      -0.25248220      -0.12200119       0.35775894 
Hf      10.11620962       8.61880398      -1.53788428       0.36280950      -1.15597791      -0.31689502 
Hf      10.14747256       7.74358658      -6.83799838      -0.11544331       0.12096857       1.07608661 
O       1.24451836       1.43331367      -8.10488168       0.61418976       0.67218864       0.56407163 
O       6.48984974       2.32913535      -2.70691662       0.06710151       0.39022951      -0.39046903 
O       6.55701126       1.43684823      -8.06326345      -0.41429631       0.50097255       0.69322083 
O       1.47287772       7.39318219      -2.66648222      -0.91269851       0.41355898      -1.91383642 
O       1.38962902       6.55964171      -8.13227161      -0.36979692       0.01841608       0.91516299 
O       6.57218951       7.60604158      -2.80223001      -0.46005297      -0.72936914       0.25601107 
O       6.62742140       6.58942850      -7.92837619      -0.60875082      -0.07258998      -0.74684477 
O       3.96940398       1.46910092      -5.11780095      -0.70337333      -0.26032611      -0.49991644 
O       3.89817072       0.45507302     -10.38895328       0.07511081       0.71044810       0.07742743 
O       9.17788088       1.41032080      -5.15041314      -0.24008476       0.14356054      -0.13814999 
O       9.23210669       2.27452333      -0.00338843      -1.11908469       0.36428289       0.95285009 
O       3.80361405       6.53997310      -5.02013816       0.38635471       0.80914575      -0.42527933 
O       3.92172521       5.60649299     -10.35726430      -0.05808116       0.44880500       0.54641133 
O       9.09389987       6.64907343      -5.13944391      -0.04191855      -0.42626403      -0.01220533 
O       9.20842565       5.71713291     -10.35550241      -0.84483880      -0.50653215       0.12630653 
O       3.78222459       1.82133315      -2.56651308      -0.24736017       0.90478677       0.45297253 
O       3.82131994       1.08207934      -7.72105757      -0.28237147      -0.64824651      -0.12848356 
O       8.96833544       1.89164425      -2.57410144       0.59812797      -0.46224981       0.66581956 
O       9.04592039       0.99252531      -7.73291904      -0.11391207      -0.00086421      -0.48549150 
O       3.97839086       6.88898334      -2.42791891      -0.03182711       1.41913057      -0.22643144 
O       3.91454873       6.19938951      -7.67041063       0.20666816      -0.29899761      -0.98950964 
O       9.08417071       6.98969625      -2.50102703      -0.09728366       0.25083558       0.15658181 
O       9.12897719       6.16828928      -7.73121752      -0.48773062      -0.87048047      -0.13923423 
O       1.32139761       2.72892629      -0.24665643      -0.35091193       0.67605180       0.64838326 
O       1.27932388       2.08171742      -5.24806827       0.01254098      -1.26878277      -0.77346459 
O       6.47778412       2.76629556      -0.12457611      -0.01636906       0.38758757       0.05460336 
O       6.42867563       1.92823445      -5.29564904       0.42268187       0.10403892      -1.00923599 
O       1.25116015       7.94568556      -0.28012726       0.57476544      -0.24013089       1.45225352 
O       1.18583439       7.06051562      -5.49456981       0.55092370       0.22691709       0.52603716 
O       6.41525802       7.90603151      -0.15432899       0.23155740       0.09016924       1.09022811 
O       6.32150639       7.04355521      -5.41004462       0.94121100      -0.09146850       0.30944648 
O       3.51505872       4.66146039      -0.70556213       0.34709246      -0.71265143       0.12545395 
O       3.65096981       3.81434360      -5.98585512      -1.04227670       0.61649944      -0.06304015 
O       8.62010397       4.65444212      -0.83252544       0.35238078      -0.46851854       0.46283622 
O       8.72698156       3.77457259      -6.06248755      -0.18849258      -0.08278266      -0.02936928 
O       3.49238980       9.72156869      -0.82130063      -0.66315412       0.66474631       0.26457772 
O       3.51095393       8.95751663      -6.00460181      -0.50709911       0.00068455       0.08346229 
O       8.61077505       9.72609937      -0.84961556      -0.22667403       0.33990956       0.75764256 
O       8.63468187       8.93784826      -6.05533507       0.07551910       0.00390196      -0.61735106 
O       0.79895051       0.06083365      -1.76415477       0.59828928       0.36610467      -0.01619720 
O       0.85795575      -0.76230227      -7.07702383      -0.02382967      -0.79315313       0.32943747 
O       6.02817465       0.07813188      -1.78292509      -0.06364675      -0.50090314      -0.34698770 
O       5.95620294      -0.73909942      -7.09455855       0.56231394      -0.40064204       0.42222155 
O       0.94169446       5.02902790      -1.88315066       0.51854833       1.02025016      -0.21812487 
O       0.97730980       4.28551394      -7.09890054      -0.66491084      -1.05475947      -0.27012480 
O       6.01937033       5.21020463      -1.82910079       0.87023938       0.22803292       0.49158593 
O       6.11615831       4.21908218      -7.04624105       0.27048615       0.64955322      -0.50211411 
O       1.66763258      -0.38450901      -4.32597252       0.96887494      -0.34498762      -1.50195350 
O       1.61537688      -1.42004930      -9.66441659       0.23245001       0.77969306      -0.56791181 
O       6.87126926      -0.35394698      -4.44193647       0.04930973      -0.55127650      -0.25676413 
O       6.81273211      -1.39761143      -9.70195104       1.06055330      -0.23691820      -0.08144148 
O       1.65455681       4.77639529      -4.51128390       1.15862567      -0.96925750      -0.40721863 
O       1.67759646       3.78018148      -9.79923150      -0.29357123      -0.28677056       0.92549671 
O       6.93086207       4.70790165      -4.40371665       0.01756349       0.30097494      -0.42289881 
O       6.89186033       3.81230114      -9.64860418      -0.35988017       0.32758497       0.07887204 
O       4.27077688       4.25570490      -3.27695253      -0.19689289      -0.12745294      -1.10533891 
O       4.25197335       3.36394764      -8.66981294       0.31112990      -0.02655263       0.49208232 
O       9.56019137       4.08036137      -3.50598110       0.50996808       1.17166365       0.19185911 
O       9.44541113       3.35394824      -8.67448035       0.43458224      -0.22486760       0.62905048 
O       4.19737412       9.39125796      -3.38926164       1.01589208       0.06853252       0.22955646 
O       4.27479792       8.53504637      -8.67550121      -0.66161747      -1.08365508      -0.03890851 
O       9.43783193       9.43980328      -3.42046938       0.47568950      -0.37660943       0.28840793 
O       9.49841992       8.42182461      -8.69342939      -0.17560467       0.69132047      -0.39457246 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002901603680672058 0.0021710303251480326 -0.00020260565270133294 0.0021710303251480326 -0.005841426605842531 0.0009031206867052544 -0.00020260565270133294 0.0009031206867052544 -0.00737219614033704" pbc="T T T" energy=-961.40773713 free_energy=-961.40773713 config_type=crystal 
Hf       2.83549010       2.97065761      -4.18511914       0.23179344       0.17149791       0.77004433 
Hf       2.75846207       2.20382280      -9.40170645      -0.29435367      -1.17106492       0.78875292 
Hf       8.04590198       2.97719768      -4.13724278      -0.85200273      -0.17678206       0.80260910 
Hf       7.98444619       2.20675858      -9.36102697      -0.15834340      -0.36032657      -1.15080606 
Hf       2.86352249       8.04736447      -4.15487651      -0.12479304       0.54990486       0.35404561 
Hf       2.83188031       7.32499534      -9.49394967       0.31158258      -0.53644887       1.00421464 
Hf       8.03943797       8.18168084      -4.14309108       0.20616192      -0.78569394      -0.52248316 
Hf       8.03796712       7.24182008      -9.43326648      -0.04157443       0.10430125      -0.50474451 
Hf       0.24130411       0.84454909      -3.66276565       0.25979340      -1.63585515      -0.43323991 
Hf       0.24146059      -0.09638810      -8.93887374      -0.27847254       0.13575861      -0.03294975 
Hf       5.44008967       0.74576062      -3.76371124      -0.41003259      -0.18012872       1.06904457 
Hf       5.39102960      -0.12780965      -9.03905761      -0.19459682      -0.00299999       0.55131337 
Hf       0.17999742       5.90501562      -3.70949063       0.51250112       0.33388528      -0.12870691 
Hf       0.21278358       5.13884457      -8.94601560       0.70787745      -0.66177382      -0.60052196 
Hf       5.46950989       5.84997389      -3.71203345      -0.27883617       1.45185086       0.01631225 
Hf       5.43305138       5.08049597      -9.03561415      -1.26857541       0.27805719       1.00188755 
Hf       2.32701701       1.27843728      -1.08006235       0.54681543      -0.32021735      -0.28613613 
Hf       2.36376759       0.25488921      -6.31241040       0.68563711      -0.33075406       0.51693489 
Hf       7.63885106       1.24960531      -0.98190645      -0.74400993      -0.15484579      -2.10022204 
Hf       7.54551161       0.31996535      -6.30159164       0.27336495      -0.40798544      -0.96656513 
Hf       2.37427935       6.35287919      -1.08546374      -0.22356075       1.16284679      -0.63500531 
Hf       2.42563193       5.45744377      -6.29440714      -0.31851142       0.46200691      -1.24404868 
Hf       7.55451013       6.42185894      -1.16293979       0.73816039      -0.30548029      -0.05818369 
Hf       7.55095716       5.41705722      -6.38376660       0.15858309       0.52258340       0.78959544 
Hf       4.94891133       3.47592710      -1.46835949       0.51832553      -0.03888063      -1.19150803 
Hf       4.90716104       2.50444732      -6.80720195       0.69167582       0.14159721      -0.75984166 
Hf      10.09085896       3.49021615      -1.46914871       1.29259060       0.75597871      -0.86687868 
Hf      10.15196252       2.58042237      -6.81245382       0.97097622      -0.20557229       0.28652097 
Hf       5.00519805       8.64511756      -1.51804311      -1.17752243      -0.23120474      -1.34921654 
Hf       4.99253820       7.64609342      -6.78682987      -0.45963510       1.29863917      -0.89997032 
Hf      10.23054245       8.60146754      -1.57234626      -0.43103529      -0.04522108       0.06836829 
Hf      10.14683002       7.69300318      -6.79985564       0.20168666       0.12173224       0.56365701 
O       1.25180082       1.54535489      -7.96670962       0.70671046      -0.54794839      -0.14700527 
O       6.52666505       2.31599241      -2.74773039       0.33603650      -0.22115292      -0.60800525 
O       6.44605725       1.43749376      -8.13603198       0.78013208       1.20938557       0.68269712 
O       1.36491954       7.52244082      -2.75042978      -0.39428569      -0.53932976      -0.37725226 
O       1.39841806       6.61475910      -8.04423544      -0.64315846       0.25620635       0.11023647 
O       6.53844505       7.56772596      -2.75438661       0.26423173      -0.74243650       0.10804205 
O       6.63047366       6.54989277      -8.03460021      -0.87767759       0.22960621      -0.25190874 
O       4.00228376       1.33412280      -5.20891809      -0.28474599       0.51717264       0.67672396 
O       3.90057773       0.51164087     -10.35484035      -0.01471714       0.61856855      -0.79093944 
O       9.07432403       1.31601182      -5.09464180       0.62121761       0.82705347       0.04629594 
O       9.20208144       0.70320910     -10.41887617      -1.08849248      -1.63737169       1.62766874 
O       3.94876356       6.42769267      -5.12242761      -0.10649211       0.40460989      -0.36068909 
O       4.00694204       5.84800409     -10.43118653       0.01945389      -1.32525540       0.43378176 
O       9.17079189       6.54266766      -5.17182604      -0.64574927       0.05905735       0.02772201 
O       9.15781743       7.39011596      -0.01145740       0.08038017       0.72479990       1.04196648 
O       3.79589156       2.01101899      -2.50306204      -0.55094596      -0.58680172      -0.14056064 
O       3.82563274       0.91578959      -7.81192890      -0.48548921       0.64302378       0.62385835 
O       9.12528375       1.90562263      -2.48827784      -0.13154141      -0.15611474       0.02953910 
O       9.10957228       0.99277206      -7.77159048      -1.29280110       0.10054946       0.30748257 
O       3.85406350       6.99782176      -2.48348496       0.30304581      -0.33913585       0.02421076 
O       3.88850712       6.19107095      -7.84443787      -0.08271131      -0.76119077       0.94983161 
O       9.14568416       7.11041747      -2.58255073      -1.10309713      -1.25493160       0.17218202 
O       9.04302628       6.15432948      -7.79533976       0.36609541      -0.66477122       0.15605171 
O       1.24849276       2.83519637      -0.06159916       0.09702266      -0.05323742      -0.67368907 
O       1.29595230       1.82355138      -5.30422634      -0.38692494       0.57274878       0.15753290 
O       6.51899026       2.85684657      -0.28409994      -0.44607303      -0.04916293       1.73949662 
O       6.50867862       1.99959853      -5.40920279      -0.49994007      -0.92952491      -0.20776506 
O       1.33548945       7.96230483      -0.22399701      -0.51842010       0.31039311       1.11728866 
O       1.24622393       7.08456339      -5.44388055       0.66474321      -0.80889962       0.54520525 
O       6.49071536       7.98514768      -0.16500997       0.21606012       0.18258944       0.20026104 
O       6.42163008       7.09056003      -5.49200883       1.29183022      -1.04691876       1.14022318 
O       3.50322698       4.72260438      -0.67913699       0.61206255      -0.44571146      -0.81050057 
O       3.45962702       3.66997288      -6.02220405       0.15296559       0.40722858      -0.22281653 
O       8.56745043       4.60771031      -0.85926182      -0.18734483       1.27869557       0.89049524 
O       8.73468929       3.71257573      -5.93123580      -0.09537414       0.90430767      -0.97277601 
O       3.36856128       9.80273678      -0.91060044       0.45282727       0.47265074       0.20321513 
O       3.58065785       8.88422178      -6.00870439      -0.44359898      -0.18172003      -0.33428187 
O       8.72402874       9.82973043      -0.77371334      -0.01744722      -0.26781414       0.21780334 
O       8.67664536       8.89630324      -6.00451340       0.12228394       0.19826920      -0.48392345 
O       0.83367696       0.05782928      -1.76450423       0.33491341       0.97144464      -0.40758082 
O       0.84863909      -0.84102853      -7.03535047      -0.01065457      -0.12031596      -0.33529128 
O       5.98881881       0.06740782      -1.79229151       0.92996967       0.78220068       0.09851183 
O       6.12436561      -0.82189455      -7.22260152       0.11618451      -0.69850664       1.50673847 
O       0.86904708       5.22966600      -1.81053481      -0.19163059      -0.77084962      -0.02353873 
O       0.99913108       4.29512339      -7.16770405      -1.00605424      -0.74216219       0.70112449 
O       6.17967128       5.11546356      -1.87242862      -0.52384961       0.53136501       0.36142067 
O       6.04275732       4.30494958      -7.10357456      -0.09779184      -0.74792108       0.05718216 
O       1.77533474      -0.53122644      -4.34491022      -0.92203045       1.43690183      -0.67280323 
O       1.71062419      -1.30898603      -9.63945072      -0.37940854       0.76340405      -0.37188492 
O       6.82035775      -0.51388221      -4.47201508      -0.05969814       1.14077575      -0.56676265 
O       6.95239357      -1.25808152      -9.68827340       0.34561416      -0.57549068      -0.21982021 
O       1.70553939       4.68270890      -4.46069030      -0.19326748       0.02369762       0.27751501 
O       1.63471000       3.89132016      -9.68712379       0.16223211      -0.32872714      -0.41140780 
O       6.94251510       4.74377036      -4.43403373       0.47190747      -0.18151802      -0.86181115 
O       6.86752148       3.93833807      -9.74004905       0.81450010      -1.33353003      -0.17363493 
O       4.40677441       4.24321526      -3.40488924      -1.56712663      -1.37165051      -0.10622919 
O       4.16304448       3.35985554      -8.64604413       1.36945748       0.71910391       0.49150387 
O       9.40662551       4.25167573      -3.32299119       0.62404982       0.31762185      -0.46079866 
O       9.40986250       3.40224421      -8.58887559      -0.01491803       0.24195845      -0.11038749 
O       4.32510004       9.24972927      -3.49134350       0.90694422       1.07211041       0.66807614 
O       4.32940235       8.47241225      -8.63127915      -0.33382326      -0.12807819      -1.07042850 
O       9.38174117       9.41613077      -3.37212195       0.95673461       0.74917838       0.06980326 
O       9.49878462       8.40727603      -8.67983564       0.51713718       1.01904111      -0.08678705 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002642969804343809 0.0015639756300705597 -0.0014035659557166346 0.0015639756300705597 -0.006929354801380461 0.001369803548190684 -0.0014035659557166346 0.001369803548190684 -0.0038295391096996342" pbc="T T T" energy=-961.82909747 free_energy=-961.82909747 config_type=crystal 
Hf       2.79722129       3.01552896      -4.20805809      -0.11592766       0.12796557       0.37263539 
Hf       2.90149050       2.11184179      -9.46892174      -0.30718108       0.27298819       0.90067895 
Hf       8.02898326       3.03437981      -4.09032816      -0.78264672      -0.28280810       0.09360597 
Hf       8.06266184       2.08924251      -9.46803381      -0.72984168       0.76190408       0.97611651 
Hf       2.74728658       8.19029581      -4.18307751       0.06863330      -0.93978497      -0.33291196 
Hf       2.85198168       7.28590596      -9.44018468      -1.20414804      -1.53513009       0.72807896 
Hf       8.06085985       8.19431831      -4.16288793      -2.08775781      -0.54767126       0.08339621 
Hf       7.97533869       7.31296152      -9.43221957       0.78768728      -2.15139565       0.34218801 
Hf       0.19853443       0.72867163      -3.75498609      -0.19658636       1.27858751       1.11970722 
Hf       0.23114998      -0.16332740      -8.96742021       0.88991195       0.11533644       0.14123825 
Hf       5.36266212       0.77694154      -3.69617316       0.22239308       0.33873552      -0.29351391 
Hf       5.38490026      -0.12157336      -8.93789057       0.81575315       0.54294312       0.33471976 
Hf       0.19470956       5.94807292      -3.72803550      -0.38904286      -0.33311270       0.15814280 
Hf       0.19191789       4.98650068      -8.94672030       1.46667984       1.50914207      -0.30099371 
Hf       5.39198520       5.97446590      -3.69243821       0.41068457      -0.61001626       0.22199697 
Hf       5.42007713       4.98924521      -8.93060295       0.57759174       0.83169362      -0.35678517 
Hf       2.42574570       1.27398164      -1.12670532      -1.01017206      -0.42492235      -0.03024123 
Hf       2.37765588       0.34740031      -6.36275346       0.38481104       0.23827094      -0.36642201 
Hf       7.54326222       1.17855183      -1.04376004       0.86953257       0.19539723      -0.85937690 
Hf       7.57650939       0.45610583      -6.31632249       0.19670603      -0.62948878       0.48023709 
Hf       2.38710014       6.31824505      -1.09193105      -0.27063962       0.23827240       1.22509113 
Hf       2.32425756       5.45918135      -6.39332454       0.33188505       0.30894339       0.22139343 
Hf       7.63467988       6.41794455      -1.06900712      -0.80034767      -0.59470281      -0.72462483 
Hf       7.55697907       5.44606455      -6.28709517       0.20175039       0.42380546      -0.43908440 
Hf       5.03555382       3.45093468      -1.59722561       0.08824341       0.41728547       0.64844237 
Hf       5.00897264       2.58564929      -6.74965213      -0.51964268      -0.51727050      -0.37690858 
Hf      10.12394415       3.48053025      -1.51648913       1.02333197      -0.67372228       0.25331547 
Hf      10.16798435       2.56521362      -6.77182779       0.28732967       0.22452040      -0.01877111 
Hf       4.91257418       8.60945845      -1.56446095       0.90464412      -0.77864652       0.54919331 
Hf       4.98955556       7.71731393      -6.78814623       0.63445685      -0.82836340       0.84081413 
Hf      10.22172192       8.54926248      -1.57687841      -0.11354406       0.02271270       1.70548016 
Hf      10.14564802       7.75277621      -6.74080822      -0.51048756      -0.77838286      -1.25978252 
O       1.46889190       1.38690940      -7.97365135      -0.48169289       0.40377441      -0.18779009 
O       6.53372037       2.28377167      -2.63213565       0.33884574       0.71623137      -0.77926691 
O       6.66836727       1.58591196      -7.87710939      -0.24408074      -0.26912580      -0.76365042 
O       1.24495819       7.50643344      -2.79559910       0.63897227       0.05034849      -0.04346051 
O       1.36871668       6.64753389      -7.98194744      -0.30157144      -0.29930832      -0.04822951 
O       6.44625342       7.55579364      -2.70027794       0.17030098      -0.08536626      -0.88661778 
O       6.52945225       6.65406315      -7.92554481      -0.06785904      -0.37756560      -0.76116852 
O       3.84855363       1.38638212      -5.15446395       0.57064624      -0.05705301       0.19959199 
O       4.01317019       0.54897122     -10.42852211      -0.40485511      -0.74748189      -0.04233878 
O       9.09328840       1.44935574      -5.10357539       0.00225033      -0.07966025       0.41277603 
O       9.18345538       0.46548219     -10.39219849      -0.44161373       0.63327030       0.42379131 
O       3.93555438       6.58155253      -5.09666212      -0.30440717       0.38473636      -0.26305861 
O       3.98742460       5.64427379     -10.36055959       0.40405073       0.60072262      -0.47243263 
O       9.12117470       6.68447073      -5.07273118       0.22107780      -1.05000014      -0.80529914 
O       9.26078255       5.46525734     -10.43236018      -0.77613028       1.37124794      -0.41224899 
O       3.82784162       1.98255016      -2.55678944      -0.53036934      -1.04172545       0.16337489 
O       3.98260558       0.95403412      -7.80246703      -0.42435525       0.15118228       0.19312733 
O       9.07673552       1.88451443      -2.43186419      -0.24767038      -0.30473257      -0.62235050 
O       9.17588231       0.94364585      -7.64713514      -0.40910574       0.18229089      -1.20363641 
O       3.74607696       6.96347456      -2.48836321       0.79308788       0.88515280      -0.54170663 
O       3.81499755       5.99406579      -7.72746304       0.91589590       1.09724585      -0.14607967 
O       9.01556993       6.94440978      -2.55875788       0.03267147       0.25639213       0.41437263 
O       9.05019538       6.04383770      -7.70623075       0.07299677       0.54634852      -0.17313859 
O       1.33119971       2.78956617      -0.09979189      -0.36194443       0.18227326      -0.66655855 
O       1.21145780       2.08044774      -5.33235604      -0.14298689      -1.27794295      -0.04702179 
O       6.46064636       0.96655459     -10.47942044       0.55492070       0.29018230      -0.60897382 
O       6.38798267       2.01030334      -5.27168419       0.19772723      -0.49121575       0.12817738 
O       1.31454511       7.98472572      -0.11227015       0.18487936      -0.55480211      -0.43362406 
O       1.17142503       7.10057222      -5.43435358       1.28359452      -0.51483330       1.09219597 
O       6.60123755       7.91565630      -0.19863757      -1.50672881       1.35168228       1.21347217 
O       6.51949814       7.00006340      -5.37814762      -1.01592828       0.93763335       0.36073571 
O       3.55080331       4.62321085      -0.83182085      -0.79877951       0.54489691       0.22955125 
O       3.39242280       3.64573057      -6.15811690      -0.31262366       0.86234118       0.56385057 
O       8.65621077       4.64767804      -0.84307926      -0.03367500      -0.84582046       0.66571913 
O       8.67533089       3.72875979      -6.01371076      -0.06317678       0.17978260       0.16641500 
O       3.43281403       9.76810703      -0.81227632       0.49050969       0.38100969      -0.08415549 
O       3.51483211       8.89716986      -6.03514770      -0.58215198       0.57269449      -0.00359059 
O       8.64448470       9.69221976      -0.84168143       0.03525576       0.29319797       0.18106577 
O       8.71514244       9.00265260      -6.02351746      -0.35329690      -0.01239517       0.27640793 
O       0.87813318       0.04914381      -1.84573004       0.24006060       0.07802974      -0.04563604 
O       0.86544819      -0.88426253      -7.07764630       0.55036645       0.36204365       0.13683647 
O       6.03717420       0.07776704      -1.83362591      -0.90301481      -1.23641444       0.33186489 
O       6.14761275      -0.77392436      -7.08703687      -0.65594222      -0.99405865       0.14231668 
O       0.87700272       5.18711473      -1.75796352      -0.19760630      -0.15145754      -0.45207558 
O       0.88041250       4.26922942      -7.08508954      -0.33011487      -0.17919720       0.32104568 
O       6.09581110       5.14676132      -1.79592975       0.16979141       0.53653400      -0.10620024 
O       6.03173800       4.28524262      -6.97080327       0.51184619       0.73287394      -0.20413449 
O       1.65142528      -0.34144339      -4.52522658       0.41366620      -0.97937661      -0.14494823 
O       1.73730574      -1.35041073      -9.70457555      -0.22324449       0.72879449       0.00240645 
O       6.87921192      -0.37009774      -4.38581882      -0.05847725      -0.02862491      -0.49846273 
O       6.91760582      -1.36613569      -9.73398150      -0.89847577       0.52834427       0.64355284 
O       1.66172071       4.75744462      -4.40775433       0.62889236      -0.23444716      -0.45742438 
O       1.83189535       3.84580279      -9.59004966      -0.17248442      -0.03576535      -0.78881284 
O       6.93223183       4.79447849      -4.32646080       0.49524895      -0.76088344      -0.51003741 
O       6.97969823       3.88272794      -9.67287660       0.18898253      -0.84881622       0.35101378 
O       4.33418397       4.16619130      -3.44533529       0.21234209       0.82906204      -0.53950992 
O       4.40835197       3.33151987      -8.69436320      -0.50364638      -1.25200189       0.02982384 
O       9.47191490       4.18000056      -3.35720493       0.74736676       0.82071052      -0.39999995 
O       9.56948071       3.30731504      -8.75017024      -0.60686069      -1.62977413       0.61945093 
O       4.08846908       9.41798682      -3.37430482       1.11806737       0.08163672       0.32934610 
O       4.33932550       8.40648998      -8.59519515       0.14131714       0.58260436      -0.91939993 
O       9.50852843       9.21563717      -3.36436444       0.86715965       1.97364106      -0.71572451 
O       9.50786751       8.42283874      -8.71210268      -0.00417891       0.07149140       0.19088729 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0006795211001496097 0.0002855327896193953 -0.002316047870020199 0.0002855327896193953 -0.005298860294042309 0.002680726471876377 -0.002316047870020199 0.002680726471876377 -0.009832598332469689" pbc="T T T" energy=-960.9955002 free_energy=-960.9955002 config_type=crystal 
Hf       2.77882413       2.96615367      -4.14867487       1.21906351       0.79817436      -0.00655833 
Hf       2.82462466       2.13872543      -9.45900845       0.10326197      -0.64964670      -0.72376158 
Hf       8.08960855       3.06359780      -4.16806063       0.26474892      -0.27888068       0.62583696 
Hf       7.98347834       2.08733917      -9.41262737      -0.32149790      -0.53494409      -0.72137281 
Hf       2.75270854       8.22804055      -4.09979674       0.98289202      -0.88828938       0.40072287 
Hf       2.79544123       7.19921734      -9.39725462       0.53036022       0.04427166      -0.27558988 
Hf       7.97947091       8.09706294      -4.16876175       1.23291874       1.02461153       0.14120622 
Hf       8.05380879       7.30149323      -9.36934700      -0.24791175       0.05723767      -0.62339116 
Hf       0.20479843       0.76521843      -3.78095152      -0.69819900       0.13475344       0.98674881 
Hf       0.21146869      -0.10092436      -8.87372023       0.42617660       0.14569885      -1.81502690 
Hf       5.41604444       0.78126029      -3.77365540      -0.21691059       0.82291840       0.51890959 
Hf       5.29600786      -0.12168099      -9.00546246       0.65150602      -0.43748573       0.25496264 
Hf       0.26835638       5.91712800      -3.72036399      -0.55259347       0.15849020       0.42309550 
Hf       0.20170212       5.03243454      -8.96362519       0.35776822       0.01976590      -0.62387959 
Hf       5.47839702       5.98215945      -3.67910414      -1.62435159      -1.61797177      -0.25562547 
Hf       5.47719746       5.05850841      -8.97231348      -1.87647863       0.11447782      -0.37004251 
Hf       2.42004694       1.17064712      -1.10409903      -0.87204311      -0.08169215       0.08778789 
Hf       2.37433172       0.34387448      -6.34220990       1.29784852       0.15845215       0.38653918 
Hf       7.51112399       1.16418555      -1.04078932       1.62701307       1.56433788      -0.72865513 
Hf       7.48245146       0.39047744      -6.36077630       1.35840541      -0.86145175       0.41330556 
Hf       2.36107349       6.34949340      -1.04435301       1.20565473       0.20054689      -0.84715385 
Hf       2.43534789       5.58808720      -6.32167926      -0.28342752      -1.05143532      -0.20779087 
Hf       7.58929798       6.36118704      -1.04188852      -0.56807483      -0.46843115      -1.20208901 
Hf       7.61322267       5.46309082      -6.39873077       0.49917169      -0.19765389       1.21988307 
Hf       5.04370188       3.41198679      -1.59137405      -1.11854623       0.65288456       0.58485661 
Hf       5.00656853       2.61103530      -6.83005490      -1.30816416      -0.66408575       0.01107128 
Hf      10.20815344       3.42056155      -1.52763372      -0.35456670      -0.16827939       0.38156882 
Hf      10.24826226       2.61293281      -6.85309224      -1.28320763       0.03897284       0.66967512 
Hf       4.97462326       8.62481329      -1.50421584      -0.66175325      -0.03502259      -0.61183884 
Hf       5.00689852       7.72261266      -6.72701003      -1.14200725      -0.22144068      -0.38755874 
Hf      10.10455867       8.54691077      -1.53834998       1.07429647       1.06183822      -0.71356544 
Hf      10.13082502       7.74939245      -6.76930051      -0.04294222      -0.05104811       0.80940461 
O       1.30679125       1.57201760      -8.06578327      -0.33016657      -0.52467328       0.49916775 
O       6.64005912       2.40818658      -2.71908679      -0.43095917      -0.28210948      -0.28609775 
O       6.41926660       1.40520890      -7.98908511       0.74918992       0.40194929      -0.58386300 
O       1.28632029       7.46990198      -2.68700446       0.50128147       0.45950906      -0.92506226 
O       1.39348839       6.62403123      -8.01527378      -0.69707150      -0.03007430       0.42514432 
O       6.53786569       7.46414276      -2.71920346       0.54233197       0.96733978       0.04387250 
O       6.62890129       6.58174338      -7.97535644      -0.54915714       0.25844901      -0.00612671 
O       4.00868335       1.33779786      -5.21258700      -0.73842844       1.14874105       0.13403500 
O       3.99678916       0.58759626     -10.46406407      -0.79039074      -0.91943137       0.54847576 
O       9.08920990       1.47292791      -5.13958410       0.31589212       0.06232704      -0.33568825 
O       9.08218200       0.50071879     -10.39225162       0.43644962       0.59775070       0.88189668 
O       3.89985197       6.57820033      -5.09154455       0.37286439      -0.11276488      -0.27261493 
O       3.89419040       5.60814858     -10.38778373       0.55637064      -0.08299056       0.58535080 
O       9.12993216       6.57177627      -5.22211029      -0.33582526       0.00761615       0.70100142 
O       9.11329533       5.63187567     -10.35727827      -0.72806959       0.65802768      -0.54531173 
O       3.86947033       1.80237207      -2.47823362      -0.33836006       0.28569131      -0.78573778 
O       3.77791729       0.87386385      -7.84049595       0.24519842       0.54125268       0.12861507 
O       9.21299883       1.83788965      -2.53374842      -0.58833166       0.42821218       0.32622030 
O       9.06698869       0.96852591      -7.70095546      -0.37157085       0.57088244      -0.63866691 
O       3.94279091       7.16606903      -2.52121083      -1.00926626      -0.81336472      -0.00437176 
O       3.91706630       6.12153353      -7.78270136      -0.05879535      -0.23946401       1.02673462 
O       9.05748801       6.96199003      -2.49876845      -0.26768861       0.17599458      -0.05644856 
O       9.08967445       6.15287327      -7.81353381       0.11665917       0.36758473       0.16565510 
O       1.24906100       2.73128594      -0.17341307       0.32637863      -0.30943736       0.35040413 
O       1.25317982       1.94013576      -5.41851261       0.35755645      -0.14303828       0.46364297 
O       6.39666812       2.77784571      -0.06724606       0.80935969       0.05772271      -0.16111953 
O       6.50296209       1.97639276      -5.49323046      -0.17890394       0.25012538       0.92501102 
O       1.23798110       7.92001615      -0.20796692      -0.35376702       0.04872860       1.56347915 
O       1.16467726       7.12181753      -5.37840667       1.19586120      -0.27469498       0.23387535 
O       6.36598994       7.97894503      -0.10691234       1.14928180       0.21435045       0.30037391 
O       6.51717404       7.00634727      -5.32500521      -0.74142751       0.57034859      -0.70274662 
O       3.36905139       4.54933090      -0.89771255       0.66049248       0.52414385       0.74333355 
O       3.47531325       3.72478338      -6.08768969      -0.50723172       0.52266913       0.34101246 
O       8.57957684       4.56634079      -0.85051819       0.20524182       0.43518127       0.78998020 
O       8.81812461       3.86303393      -5.98940379      -0.08690094      -0.26488650      -0.16874276 
O       3.37439917       9.63537309      -0.80505066       0.63719550       1.05476644      -0.40383492 
O       3.45060648       8.88257829      -5.92911531       0.55509952       0.01935714      -1.58953196 
O       8.77176914       9.87118445      -0.75512269      -0.31394966      -0.85436604       0.57075043 
O       8.78363724       8.99614386      -5.88019550      -0.58929720       0.00112852      -1.10484387 
O       0.94710168       0.06460035      -1.90347843      -0.52240653      -0.54879119       0.28827689 
O       0.93284806      -0.79147425      -7.01691743      -1.06717192      -0.84332978      -0.68064116 
O       6.09778838       0.06223802      -1.88623909      -0.56830250      -0.85582675       0.45880267 
O       6.03687164      -0.91462409      -7.11732518       0.78332727       0.52811213       0.63302054 
O       1.02473235       5.18888052      -1.88798523      -1.68628345      -1.63537988      -0.17876715 
O       0.79773090       4.41011184      -7.13817703       0.96075305      -0.77011243       1.00355379 
O       5.99098342       5.22937205      -1.85255710       0.91493464      -0.15372208       0.67378454 
O       6.13802698       4.24233523      -7.11254332       0.09155477       0.19527112      -0.35751517 
O       1.69520551      -0.42197697      -4.40268874      -0.23046640       0.77579858      -0.84935013 
O       1.70920322      -1.38835851      -9.62897502      -0.53587821       0.98954482      -0.14671355 
O       6.87951822      -0.33571402      -4.45743417       0.59045157      -1.32111099      -0.53444039 
O       6.93801143      -1.28154557      -9.69753124      -0.68639874      -0.58212164       0.36946633 
O       1.75913783       4.80047552      -4.47030128       0.19655476      -1.02227868      -0.18230376 
O       1.58998341       3.71135416      -9.73203668      -0.28131807       1.09888382      -0.17872618 
O       6.91146807       4.69842336      -4.48776207      -0.28054049       0.40808562      -0.00261687 
O       6.80423815       3.83796981      -9.81432956       0.61599221      -1.14544418       1.00517297 
O       4.27687079       4.14621158      -3.31921591      -0.18474306       0.49076734      -1.96034826 
O       4.20509619       3.36972773      -8.70537139       1.05918023      -0.04281076       0.48723686 
O       9.49961450       4.27076792      -3.22983168      -0.42409787       0.07091791      -2.01530047 
O       9.32444742       3.38932269      -8.67011294       0.66220869      -0.11005812       0.22242142 
O       4.24583965       9.48344906      -3.49815008       0.31608131      -0.79095689       0.95415517 
O       4.33350922       8.34070841      -8.66638345       0.20122841       0.82519456      -0.23734612 
O       9.43195975       9.31223838      -3.39369121       0.24202817       0.11256817       0.45019571 
O       9.37717058       8.58333613      -8.53821646       0.32843166      -0.29636813      -0.21818780 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="2.773279139338194e-05 -0.006246048787681823 -0.0012003285124955433 -0.006246048787681823 -0.005733843903809385 0.0011994833934353714 -0.0012003285124955433 0.0011994833934353714 0.002110491156906039" pbc="T T T" energy=-961.88909819 free_energy=-961.88909819 config_type=crystal 
Hf       2.82958530       2.94954691      -4.18800733       0.79083244       0.17024847       0.00904351 
Hf       2.87298556       2.19983634      -9.43918366      -0.60761593      -0.66000991      -0.20790892 
Hf       8.03025659       2.99819478      -4.18536979      -0.19373782       0.13495194       0.14188237 
Hf       7.98219784       2.12718498      -9.35216658       0.24034010      -0.02801558      -1.59041782 
Hf       2.83050931       8.21009420      -4.13590049      -0.63274396      -1.27091532      -0.21146078 
Hf       2.78856078       7.23149600      -9.30938341      -0.33120561       0.01524603      -1.00220857 
Hf       8.00471330       8.14771955      -4.19529852      -0.25714929       0.12630364       1.30784305 
Hf       7.92429439       7.32568620      -9.40385644       0.95049643       0.01361760      -0.53823854 
Hf       0.20302792       0.82167506      -3.71222141      -0.30051220      -0.74286515       1.05547488 
Hf       0.14698735      -0.14590737      -8.86888461       1.64297941       0.27858035      -1.57256683 
Hf       5.47104350       0.78146804      -3.73891253      -0.42031073       0.08394192      -0.71228723 
Hf       5.33797873      -0.15522595      -8.97569414      -0.43504948       1.19878823       0.21687793 
Hf       0.29493226       5.78649507      -3.67552943      -1.18074626       1.94944576      -0.17093893 
Hf       0.08945992       5.09619777      -9.00060499       2.37576638       0.02440470       0.23478560 
Hf       5.45182020       5.92829117      -3.74188325       0.31872485       0.04078494       0.12710021 
Hf       5.45767804       5.08386244      -9.00529340      -1.25976670      -0.96402730       0.09649210 
Hf       2.35487745       1.17894206      -1.09702562      -0.22200981      -0.11195482       0.77572242 
Hf       2.36479852       0.32410009      -6.26070898       0.97765746       0.42259758      -1.13740370 
Hf       7.47868134       1.23236043      -1.14609328       1.72992934       1.03457533       1.19243545 
Hf       7.58917007       0.36668569      -6.39327971      -0.16838331      -0.52124085       1.34412442 
Hf       2.38327527       6.39797905      -1.12990106      -0.40951526       0.53372897       1.05351041 
Hf       2.37884786       5.48868485      -6.30299589       0.79249227       0.53137229      -0.51980269 
Hf       7.66130719       6.33910843      -1.10918719      -0.69054597      -0.18114141      -0.40158392 
Hf       7.61253556       5.43343628      -6.37584569      -0.12046654       0.44467913       0.41995935 
Hf       4.96502813       3.45966698      -1.57926667       0.32964564       0.88294521       0.00143927 
Hf       5.01990063       2.54593063      -6.81143211      -0.44569864       0.48619630       0.00666491 
Hf      10.18354205       3.41688320      -1.48224483      -0.03071626       0.06874392       0.70550469 
Hf      10.26259952       2.58503074      -6.83068809       0.04767809       0.25497074       0.38494087 
Hf       4.96927651       8.61275269      -1.55532911      -0.85256446      -0.83383532       0.45116303 
Hf       5.03595602       7.76142491      -6.75095294      -1.38231002      -1.35832015       0.30685033 
Hf      10.11371833       8.58314166      -1.56972195       0.33112651       0.29739174       0.29313596 
Hf      10.15250655       7.76885489      -6.72877571       0.28855851      -1.63461664       0.38785046 
O       1.44661313       1.43075917      -8.02078354      -1.04377650       0.04391749       0.83371715 
O       6.51615246       2.43208652      -2.81025917      -0.32140007      -1.10561935       0.27421427 
O       6.54547616       1.41426844      -7.96743837       0.51409943       0.17491605      -0.49706524 
O       1.29515536       7.50618256      -2.75219619       0.11156151       0.16936736       0.49837456 
O       1.38494881       6.69265019      -7.87465121      -0.92498319      -0.44723571      -0.12556733 
O       6.46652052       7.54069991      -2.70669211       0.66909855      -0.00797092      -0.07731187 
O       6.54807311       6.62331798      -8.00980686      -0.34081066       0.25818551       0.68041372 
O       3.95755822       1.39200116      -5.20376892       0.33662162       0.24817330       1.11439988 
O       3.91740980       0.48953498     -10.42475503       0.85509105       0.32363787       0.26560000 
O       9.13544557       1.40857287      -5.11924205       0.13709011       0.28082930      -0.06459924 
O       9.10615428       0.56188956     -10.36695624       0.53823519       0.04110386       0.85491926 
O       3.92919759       6.59051474      -5.06738396       0.22229000       0.08052754      -0.94900395 
O       3.88045786       5.59203604     -10.36756212       0.74679409       0.55035310      -0.14746604 
O       9.09160455       6.67648058      -5.14408549       0.99006994      -1.57543585      -0.32742614 
O       9.12115205       5.68448727     -10.44923892      -0.49941562       0.49448979       0.41426935 
O       3.76571773       1.90938338      -2.51086523       0.34200834       0.12558214      -0.39625753 
O       3.95139511       1.06245012      -7.73477617      -0.75627514      -1.17897650      -0.49335634 
O       9.03338980       1.89537094      -2.41738189       0.06219268      -0.41308339      -0.80015391 
O       9.12174108       0.98734097      -7.69657840      -0.24255669       0.34630712      -0.45609362 
O       3.77142211       7.04058707      -2.57263303       1.07558497       0.26089546       0.62725760 
O       3.89551922       6.19001316      -7.78227672      -0.02858726      -0.75332928       0.79543828 
O       9.15097022       6.89396391      -2.52725360      -1.02014737       0.68233437       0.04919133 
O       9.02680610       6.16299985      -7.81309394       0.32134688      -0.20469231       0.11181603 
O       1.38378562       2.77783827      -0.19055832      -1.31405885       0.36045193      -0.28158924 
O       1.25961183       1.91997016      -5.27335241      -0.19407022       0.29434714      -0.59775937 
O       6.48535968       2.91986579      -0.18250825      -0.43759579      -0.69981438       0.09687022 
O       6.51663530       1.88886867      -5.39770286      -0.51278467       0.39711701      -0.07452389 
O       1.25483894       7.96076831      -0.03738166      -0.58724999       0.08173823      -0.48476633 
O       1.28216968       7.11305586      -5.27395882      -0.31865137      -0.88223969      -0.48149421 
O       6.41811442       7.94040623      -0.08615856       0.25107535       0.54618343      -0.26571765 
O       6.49821466       7.13638152      -5.30300008      -0.75651477      -0.83597785      -0.95869350 
O       3.52139815       4.69937529      -0.82779986       0.57393566      -0.33046203      -0.50744146 
O       3.47162594       3.70228590      -6.16454252      -0.37724561       0.44083451       0.65209363 
O       8.80717282       4.71422073      -0.73627540      -0.15275592      -0.27507174       0.40741552 
O       8.73933718       3.70223412      -6.10328526      -0.26315818       0.65808596       0.39513561 
O       3.38833131       9.72940502      -0.72305863       1.06603486      -0.13844249      -1.02857568 
O       3.44966865       8.92168340      -6.09114270       0.11272706      -0.31905444       0.38761683 
O       8.56838233       9.83301699      -0.74896273       0.45139691      -0.51182715      -0.37513320 
O       8.62015759       8.89877371      -6.02069007       0.01973801       0.75946623      -0.78770235 
O       0.82385345      -0.00429442      -1.73697159       0.04312349       0.60617046      -0.67982189 
O       0.83802342      -0.86690129      -6.86544334      -0.29812637       1.00376825      -0.98041001 
O       6.06935689       0.01154768      -1.80518959      -0.67453729       0.43694087      -0.27923531 
O       6.01888188      -0.87150507      -6.99639404       0.98211080       1.23618882      -0.39910805 
O       0.92688206       5.15612415      -1.84830142       0.04111082      -0.70667127      -0.05658165 
O       0.89942591       4.34510323      -7.08445478      -0.43617428      -0.53176139      -0.06202742 
O       6.34191293       5.09220869      -1.99726797      -1.49432408      -0.34421620       0.25123728 
O       6.13930706       4.27491902      -7.10242915      -0.03224775       0.06274809      -0.58677643 
O       1.73749703      -0.36106310      -4.34817044      -0.08815531       0.17524525      -0.10451484 
O       1.70110107      -1.29616674      -9.57764238      -0.20719914       0.11832447       0.05098832 
O       6.97031787      -0.33295779      -4.40415904      -0.26804477      -0.18124323      -0.35397918 
O       6.95080562      -1.16596955      -9.61684453      -0.11648903      -0.57499637      -0.32622777 
O       1.75510910       4.65987893      -4.43584088       0.00124584      -0.05625410      -0.37973854 
O       1.70574616       3.85583555      -9.75830988      -0.49770650      -0.32859856       0.65518059 
O       6.90513508       4.70522701      -4.56586741       0.26075515      -0.02845849      -0.00650377 
O       6.85143429       3.78846002      -9.80296393       0.33124565       0.08973775       0.57672420 
O       4.35947904       4.22655767      -3.53009423      -0.38833110      -0.69424728       0.68095605 
O       4.36525313       3.29280690      -8.74247415       0.72594307       0.79087746       0.40809894 
O       9.43684236       4.16082696      -3.32355790       0.61777203       0.51716877      -0.83355030 
O       9.47807500       3.38251034      -8.67325493      -0.17943920      -0.78971506       0.27466219 
O       4.37327423       9.35768810      -3.50298487       0.11266156       0.18636326       0.74528344 
O       4.31761893       8.44644604      -8.67406253       0.42937497       0.25872968       0.06212267 
O       9.34378771       9.39329852      -3.34417118       1.12204780       0.26364815       0.12371912 
O       9.48256257       8.46919609      -8.65674496      -0.10345341      -0.13232382       0.49449537 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005165115925775966 0.0007946390325957253 -0.0001157765364890787 0.0007946390325957253 -0.004632248363663054 0.004137001722500731 -0.0001157765364890787 0.004137001722500731 -0.00714153884250712" pbc="T T T" energy=-961.54228775 free_energy=-961.54228775 config_type=crystal 
Hf       2.85331174       2.92557763      -4.16995630      -0.53528688       0.99459311      -0.82641463 
Hf       2.84508554       2.18208469      -9.42485582       0.27918976      -0.24668165      -0.06374324 
Hf       8.00565975       2.96734488      -4.21808741       0.63322534       0.59798634       0.25285389 
Hf       7.98267808       2.15115459      -9.35572827       0.96753174      -0.67428885      -0.40620948 
Hf       2.83005421       8.20678632      -4.13213372       0.39351263      -0.55672662       0.53886585 
Hf       2.77357007       7.24851089      -9.33861599      -0.18488418       0.17444865      -0.69881041 
Hf       8.03455931       8.21078448      -4.18524137      -0.53393172      -0.28286629       1.11447827 
Hf       7.95175843       7.30652895      -9.38804749       0.36490054      -0.29344555      -0.60650933 
Hf       0.21587531       0.80461972      -3.70695117       0.24752603       0.68191784      -0.00193784 
Hf       0.15924145      -0.15693095      -8.88643549       0.69944409       0.73782192       0.09007370 
Hf       5.46097166       0.79883709      -3.76841739      -0.71919765      -0.41378837       0.08260828 
Hf       5.35738801      -0.13138707      -8.99465484       0.28436342       1.05687557       0.02412134 
Hf       0.27278379       5.79583365      -3.68078151      -0.35252882       1.08735814      -0.40996843 
Hf       0.12391445       5.09004476      -8.98872390       1.32364528      -0.41452054       0.60001597 
Hf       5.47446222       5.89946344      -3.73240312      -0.37447032      -0.35062606      -0.02775178 
Hf       5.45374708       5.08531554      -9.00540628      -0.01929040      -0.71154618       0.15858907 
Hf       2.35749289       1.14261058      -1.13810286      -0.49486494       0.99756500       0.02666772 
Hf       2.37524908       0.37366360      -6.25605890      -0.06161687      -0.19846732      -1.22673260 
Hf       7.49915915       1.25284740      -1.11302767       0.56818617      -0.71452651      -0.54873548 
Hf       7.61103032       0.35131780      -6.39744707      -0.51780690       1.01854215       0.78696748 
Hf       2.39139154       6.40524744      -1.10615115       0.13549081       0.08974786       0.69050069 
Hf       2.35906172       5.51086526      -6.28724732       0.18094023      -1.09112536      -0.74870673 
Hf       7.62254422       6.26525252      -1.11004488      -1.07938799       1.43855237       0.02335259 
Hf       7.65523510       5.47421723      -6.38988613      -0.96366318      -0.12330427       0.30504787 
Hf       4.95027433       3.46089322      -1.55124743       0.57198772      -0.67470129      -0.29872531 
Hf       5.04020368       2.54571463      -6.80847189      -1.11042901       1.30345628      -0.90620014 
Hf      10.14169368       3.42986969      -1.49078695       0.41624849      -0.08354119      -0.33897771 
Hf      10.24368596       2.60024169      -6.85274761       0.18880442       0.23686392       1.21427847 
Hf       4.97269814       8.57983847      -1.52949610       0.53047349       0.43057702      -0.03452807 
Hf       5.00176582       7.71469534      -6.75424320      -0.54950697      -0.01552058      -0.11839821 
Hf      10.08220852       8.58688465      -1.54289905       0.39810581       0.75187833       0.40713610 
Hf      10.14015104       7.75770143      -6.69460155       0.69586213      -0.68411812      -0.22371997 
O       1.33611027       1.42486346      -7.91138488       0.71741175       0.35744251      -1.27970621 
O       6.53473644       2.29089891      -2.81721329       0.07917730       0.69434503       0.30910193 
O       6.58684086       1.51691156      -8.00419766      -0.71485099      -0.46437305       0.12895490 
O       1.39116699       7.50059565      -2.71135574      -0.67079221      -0.07777292       0.03477765 
O       1.31576181       6.69588286      -7.90382089       0.36106793       0.10914926      -0.50737113 
O       6.48476723       7.50849578      -2.68754997       0.56688804      -0.38010208      -0.89927190 
O       6.54432014       6.66289865      -7.95746995      -0.02177642       0.41928758      -0.35888978 
O       3.93423491       1.35831911      -5.20383749       0.59285137       0.22963296       0.28709510 
O       3.94416554       0.53066334     -10.45647068       0.01972794       0.04952527       0.02912338 
O       9.14529744       1.37411861      -5.09862762      -0.35363436       1.00318616      -0.33317775 
O       9.17922102       0.59299940     -10.21334727      -0.65611959      -0.16387780      -1.20386752 
O       3.91208519       6.54499285      -5.08490367      -0.16528882       0.20881555       0.25841144 
O       4.01577390       5.65877481     -10.44325454      -1.03010609       0.45355202       1.15831308 
O       9.13752892       6.59238463      -5.15408141      -0.59981934       0.48888450       0.34968694 
O       9.07007097       5.73691967     -10.40424686       0.19372920      -0.44331961       0.27339316 
O       3.73300836       1.92622596      -2.61029632       0.41526472      -0.91714371       1.32099575 
O       3.89691993       0.97280072      -7.83732751      -0.43901523       0.43638782       0.64809295 
O       9.01713502       1.90650127      -2.44991805       0.21826167      -0.09590135      -0.01052122 
O       9.06183833       1.05169337      -7.66660942      -0.05057759      -0.33455099      -0.65112106 
O       3.87007983       7.11940110      -2.46794178      -0.21489308      -1.09369309      -0.75386280 
O       3.90042645       6.12046528      -7.67400151      -0.19695096       0.48582656      -1.01276299 
O       9.01764871       7.09330072      -2.51290214       0.22786976      -0.71674470      -0.39813968 
O       9.09646720       6.11312759      -7.78469458      -0.32681549       0.25373675       0.03351721 
O       1.24985908       2.94582093      -0.26876972       1.57350952      -1.04156985       1.06045031 
O       1.32816523       2.00009450      -5.36399493      -0.57405370      -0.78633199       0.45810415 
O       6.58681603       2.85271544      -0.19813522      -1.12398423       0.25971549       0.30298368 
O       6.46762698       2.01534105      -5.39755606       0.24843650      -0.62322083      -0.24153697 
O       1.19094528       7.98387545      -0.02130380       0.34575150      -0.18892678      -0.66849934 
O       1.18675955       6.96801592      -5.33650146       0.65453294       0.76276626       0.56434378 
O       6.49165630       7.95086371      -0.08623721      -0.21257975       0.01854094       0.02021652 
O       6.36695905       7.00850156      -5.37396062       1.05523738       0.67996964       0.28139681 
O       3.68214298       4.77556478      -0.82984160      -1.67237445       0.22173927       0.70068084 
O       3.42793911       3.70947887      -6.09780952       0.96804340      -0.10519867      -0.05905006 
O       8.86581970       4.77534145      -0.75345205      -0.52118167      -0.50772498       0.22625194 
O       8.80241417       3.85655303      -6.09521882      -0.21403928      -1.06649534       0.59075543 
O       3.33154512       9.67435857      -0.85833441       0.35096924       0.32469285       0.40098032 
O       3.43810290       8.85854029      -6.04639635      -0.14485139       0.35424976      -0.14722340 
O       8.51206091       9.75729380      -0.79779833       1.10963533       0.32094785      -0.26998312 
O       8.60104370       8.95774877      -6.03321580       0.51310322      -1.16500153      -0.04530156 
O       0.82273265       0.02629561      -1.86961761       0.10924663       0.10920087       1.01385978 
O       0.69774758      -0.70890125      -6.91392360       0.62764867      -0.90469403       0.40227939 
O       6.04525931       0.04673229      -1.92301928       0.13355411       0.19169573       1.30348051 
O       6.07904408      -0.78070600      -7.10871522      -0.50558908      -0.88458759       0.32660224 
O       0.93376293       5.14857182      -1.82559664       0.25606877       0.16349453      -0.11725241 
O       0.92113851       4.31189527      -7.18205331       0.09474552       0.10342528       0.45069683 
O       6.15560881       5.04324214      -1.90450811       1.03258057       1.10841742       0.00733722 
O       6.13783839       4.31842849      -7.20068827       0.30160292      -0.52076644       1.00260450 
O       1.73937965      -0.35875279      -4.34157429       0.27723752      -0.15819917      -0.83331792 
O       1.66211970      -1.25083518      -9.67201597       0.39644128      -0.48009074      -0.03229407 
O       6.98861559      -0.30341219      -4.42438925      -0.16317826      -0.58272787      -0.42021777 
O       6.89330386      -1.24838015      -9.71658360      -0.16664938      -0.38409094       0.30419274 
O       1.63962263       4.60191461      -4.50332257       0.53747399       0.27060545       0.42318657 
O       1.79946683       3.89366529      -9.62356028      -0.13770377      -0.02135229      -0.81094275 
O       6.95473907       4.71705644      -4.57861534      -0.33772972      -0.05339881       0.90592910 
O       6.92788525       3.78820229      -9.76269367      -0.39090412       0.87184913      -0.09363300 
O       4.42959856       4.10885514      -3.43967232      -0.64617514       0.84381708      -0.85420641 
O       4.47766885       3.29649558      -8.73900287      -1.18556581      -0.53616675      -0.08515799 
O       9.52415700       4.16714676      -3.44422212      -0.50798054      -0.12432947       0.19410305 
O       9.50261636       3.30878819      -8.63980374       0.07050573       0.59143197      -0.79796570 
O       4.34054698       9.38676160      -3.41866013      -0.45641939      -0.32194647      -0.53969947 
O       4.24994756       8.52290230      -8.70282468      -0.02163789      -0.96145638       0.19324586 
O       9.49150186       9.40636992      -3.39336390      -0.65230330      -0.85194315      -0.35298699 
O       9.48069678       8.43371798      -8.53958416      -0.38268703       0.44549179      -0.99481790 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007840041414240564 -0.0018899411904338282 0.0015535154162698915 -0.0018899411904338282 -0.010088187176223713 0.0017810886096784567 0.0015535154162698915 0.0017810886096784567 -0.001181950582361163" pbc="T T T" energy=-962.23361741 free_energy=-962.23361741 config_type=crystal 
Hf       2.88182292       3.02857319      -4.20732683       0.13743830      -1.34194145       0.71918867 
Hf       2.80284629       2.09578778      -9.36418565       0.21779028       0.44975051      -0.85207462 
Hf       8.08445060       2.98771993      -4.17858788      -0.79394036       0.25153027       0.08913968 
Hf       7.94986896       2.12615123      -9.45027218       1.07219289      -0.49600955       0.27139081 
Hf       2.87552786       8.21774136      -4.10391812      -1.07384582      -0.97989054       0.41774271 
Hf       2.76955495       7.29324667      -9.39834132       0.86914421      -0.47820723      -0.31324049 
Hf       8.01707380       8.16507975      -4.25269114       1.13509982      -1.44523056       1.95203801 
Hf       7.94492494       7.32178608      -9.48029503       1.54125092      -0.54834767      -0.02811711 
Hf       0.23197030       0.78844220      -3.65627409      -0.45429830      -0.79333890       0.01599876 
Hf       0.22007798      -0.15500763      -8.98085297      -1.45513317       1.70819457      -0.07826827 
Hf       5.53592943       0.74917427      -3.69810233      -0.83198328       1.21679208      -0.38168539 
Hf       5.36483245      -0.11229668      -8.91970418      -0.00916141       0.48534258      -1.09407962 
Hf       0.23082009       5.88243342      -3.73920519       0.26042618       0.59261063       0.67719529 
Hf       0.17571225       5.01677986      -8.89195135      -0.06224511      -0.69313464      -1.01675672 
Hf       5.43429043       5.89599397      -3.77753379       0.56285773       0.52577922       0.86734247 
Hf       5.43605324       4.98610375      -8.96432159      -1.27738644       0.42353666       0.10894394 
Hf       2.25382819       1.25224219      -1.10793867       1.53656267       0.24837176       0.00052918 
Hf       2.38743253       0.34012603      -6.31500089      -0.29266230      -0.06644207       0.05100410 
Hf       7.53469126       1.28679890      -1.14341028       1.07568200      -0.40108873       1.06067187 
Hf       7.60520593       0.31515691      -6.35248861       0.84578999       0.82484984      -0.27422721 
Hf       2.37703298       6.41223177      -1.01717823      -0.02077653      -0.55581811      -0.78303584 
Hf       2.43684441       5.49616259      -6.35599686      -0.32506850      -0.56584523       0.38119384 
Hf       7.53544393       6.41324269      -1.11812844       0.70622868      -0.25154168      -0.43450221 
Hf       7.54278416       5.45197074      -6.37265246       1.16352851       0.37819527       0.13583281 
Hf       4.93352050       3.57135116      -1.55869686      -0.66343021      -1.24357049       0.78474730 
Hf       5.00731268       2.52929891      -6.74343536      -0.48235205      -0.27778140      -0.67119881 
Hf      10.16372475       3.52100626      -1.55199885      -0.81062587      -0.29398911       1.14294849 
Hf      10.20972778       2.55192480      -6.73863859      -0.97733229      -0.12471014      -0.97156254 
Hf       4.97652229       8.59410002      -1.53674738      -0.62952141       0.12028176       0.27130486 
Hf       4.97786201       7.75648024      -6.74727060      -0.24020443      -0.96292311      -0.76647130 
Hf      10.19777457       8.52448639      -1.53154403      -1.12522808      -0.09472785      -0.09333408 
Hf      10.22767857       7.71066985      -6.79123623      -0.74359227      -0.82375829      -0.05584804 
O       1.34109720       1.43151806      -8.07151796      -0.18118386       0.15291752       1.37343765 
O       6.58790794       2.34619702      -2.72846392      -0.17614215       0.18053162      -0.24972867 
O       6.57538078       1.35198957      -7.97992188      -0.23655114       0.69899434       0.20453898 
O       1.34483251       7.47180646      -2.71681804       0.14126489       0.25614265       0.02141841 
O       1.32583188       6.53638688      -7.93253190       0.01096709       0.89583390      -0.08699253 
O       6.50670135       7.46182568      -2.74229351       0.13225582       0.60403913      -0.50196769 
O       6.56265942       6.56764401      -8.09141237      -0.90068714       0.00695857       0.96659562 
O       3.99543001       1.39316384      -5.13889221      -0.44427404      -0.08365267      -0.20347679 
O       3.91594623       0.59789781     -10.31328638      -0.24113040      -0.37845378      -0.52125503 
O       9.16869628       1.43584923      -5.12393466      -0.69370725      -0.26646487       0.08070660 
O       9.05060288       0.50225318     -10.41686331       0.30503461       0.43445299       0.38155280 
O       4.04406054       6.52287003      -5.18460200      -0.89139123       0.31967828       0.00537372 
O       3.96248561       5.70285232     -10.36006302      -0.74600696       0.15459941      -0.24667590 
O       9.17716831       6.51003458      -5.13264605      -0.41739180       0.36305130      -0.87006226 
O       9.15014929       5.66551318     -10.44341814      -0.70483974      -0.09126442       0.22571756 
O       3.79139423       2.01505844      -2.53334751      -0.31826129      -0.49163711       0.43177234 
O       3.79535449       0.97527545      -7.75043412       0.75281278      -0.33537415       0.75317233 
O       9.11029232       1.88388826      -2.52376730      -0.27995097      -0.15366306      -0.05910766 
O       9.12796310       1.04127198      -7.72658897      -0.88073679      -0.83362848       0.08491262 
O       3.87623764       7.04829384      -2.51265947      -0.01000073       0.54232931      -0.14965438 
O       3.81688765       6.15326852      -7.82280572       0.20715509      -0.02620049       0.84645060 
O       9.03627571       6.93004496      -2.60924941      -0.23247652       0.15293372       0.80120500 
O       9.00604816       6.10396173      -7.82158513       0.64260179       0.34315747       0.43233295 
O       1.22569988       2.84107042      -0.13557295      -0.00616876      -0.48797463      -0.63294805 
O       1.17348449       1.84642249      -5.32923621       1.58148294       0.25119579       0.12880527 
O       6.37917419       2.77416210      -0.11760435       0.26474103       0.16748397       0.00650700 
O       6.42272688       1.91919583      -5.32386170       1.11178405      -0.32173480      -0.34095187 
O       1.23924051       7.86944402      -0.04998016       0.21924325       1.08810923       0.33516480 
O       1.26020023       6.96239047      -5.29991280       0.69828985       0.36761282      -0.71889466 
O       6.35960126       7.88177549      -0.14485252       0.98889837       0.51189861       0.09049684 
O       6.50778131       7.07974746      -5.43205752      -0.02887898      -0.16099992       0.19831779 
O       3.45147271       4.72998993      -0.84376149       0.43153249      -0.84592647       0.27660597 
O       3.47136057       3.69103430      -6.14176224      -0.39841165       0.50472899       0.48301167 
O       8.49244839       4.63938153      -0.83938348       1.13191146      -0.62833524      -0.14672369 
O       8.66012458       3.74198387      -6.06327961       0.23225784      -0.12468006       0.01621528 
O       3.45603260       9.85496857      -0.73135724       0.44928097      -0.47566852      -0.54935002 
O       3.43127305       8.82865789      -5.95087841       0.33083762       0.61782569      -1.16974094 
O       8.69868255       9.81869822      -0.84693949      -0.63144459      -0.01359086       0.58383625 
O       8.68622282       8.84225585      -6.06563384       0.17298029       0.60256772      -0.35050571 
O       0.85844877      -0.03100916      -1.74601060       0.51513644       0.76886060      -0.54536723 
O       0.91079238      -0.86140972      -7.11603413       0.25325565      -0.42655696       0.59468925 
O       6.13132981      -0.01557282      -1.84993815      -0.22879009      -0.03421875      -0.05652081 
O       6.06315015      -0.84974500      -6.94658850      -0.25076692      -0.04068544      -0.45539126 
O       0.82825353       5.18983027      -1.77119983       0.19964252       0.25497587      -0.09826977 
O       0.86363633       4.26669310      -7.00111101       0.56539749       0.45828638       0.01506896 
O       6.03948968       5.17397024      -1.76390717       0.25038341       0.75073371      -0.79219199 
O       6.08601950       4.26382816      -7.01323509      -0.56569866      -0.16694026      -0.58732500 
O       1.67498361      -0.43926725      -4.44654528       0.28075308      -0.17155431       0.25372970 
O       1.59033575      -1.33749438      -9.71093859       1.00663340      -0.62676825      -0.28811307 
O       7.02907623      -0.39261341      -4.46049730      -0.64497839       0.38480996       0.29992353 
O       6.79281464      -1.37303574      -9.70935626      -0.06429030       0.66489359      -0.24207332 
O       1.83185327       4.65404162      -4.29152084      -1.14251487       1.30964061      -0.99946616 
O       1.74616877       3.80746489      -9.70800420      -0.64510018       0.47510688       0.84326743 
O       6.89572916       4.69252709      -4.44987050       0.35392223       0.13154245      -0.12846160 
O       6.82923501       3.79684837      -9.67677242       0.71736265      -0.07899406      -0.24250175 
O       4.31072289       4.28608968      -3.49164833       0.30410075      -0.68490404       0.33808137 
O       4.32654440       3.23126783      -8.65245180       0.54866773       0.66838306      -0.00885843 
O       9.52783848       4.17570862      -3.42326138       0.19226042       0.07634310      -0.42236891 
O       9.52994252       3.27336348      -8.69562380      -0.30292221       0.27066078      -0.21134112 
O       4.31334488       9.48375684      -3.46660727      -0.32297802      -1.30046963       0.69338652 
O       4.28532828       8.50984681      -8.60496889      -0.69254290      -0.57104973       0.13957873 
O       9.51232588       9.27592484      -3.32240168      -0.12949231       0.63843979      -1.35165073 
O       9.44845289       8.51673740      -8.64571284      -0.40897882      -0.94442844       0.16605990 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00038274013116844005 -0.003147489755206894 -0.0023773374486628883 -0.003147489755206894 -0.005198492246030408 0.000788819767803717 -0.0023773374486628883 0.000788819767803717 -0.0037547055810839606" pbc="T T T" energy=-961.68399307 free_energy=-961.68399307 config_type=crystal 
Hf       2.72553886       2.94780502      -4.12191612       1.30067359       0.99550174       1.00782477 
Hf       2.75783771       2.14950268      -9.32734760      -0.08122018      -0.16127087      -1.54261712 
Hf       8.06960962       3.07518461      -4.19701295      -0.19749538       0.40895628      -0.09405399 
Hf       8.01358609       2.09543922      -9.39068766      -0.70060232       0.14859331      -0.34348119 
Hf       2.89425979       8.17548023      -4.18504994      -0.04729392      -0.25946813       0.06158032 
Hf       2.80032747       7.25464271      -9.42877769      -0.63704694       0.07306599       0.12763730 
Hf       8.08091717       8.13349613      -4.19488626      -0.48824973      -0.48095292       0.45371777 
Hf       7.95997165       7.25814142      -9.44796184       0.50735917      -0.14249622       0.80233449 
Hf       0.15115905       0.80795328      -3.73176090       1.67730270      -0.72701994       0.77720180 
Hf       0.23441004      -0.13362457      -8.97613968       0.14571169      -0.62845231      -0.16993638 
Hf       5.49426279       0.80613011      -3.77420007      -0.35617522      -0.97400448       0.20279069 
Hf       5.32342473      -0.12562274      -8.95372461       1.35295270       0.62908053      -0.69669027 
Hf       0.28989318       5.96802058      -3.71313192      -0.04822422      -0.66595308       0.33106016 
Hf       0.16796722       5.02462213      -8.91205524       0.04328794       0.47225887       0.08505129 
Hf       5.37929615       5.95854898      -3.66114132       0.20586993      -0.46441485      -0.66331472 
Hf       5.32528459       4.98093516      -9.01583326       1.37665065       0.10983327      -0.25074728 
Hf       2.40889919       1.23170447      -1.11922155      -0.97835467       0.41362010       0.28701846 
Hf       2.42064313       0.36640967      -6.23396378      -0.34762731      -0.55866260      -0.74811113 
Hf       7.50963912       1.25647773      -1.11621513       0.58129630      -0.17469284       0.80807299 
Hf       7.63850101       0.32050133      -6.33199840      -0.28172886      -0.21633782      -0.70570999 
Hf       2.36709914       6.39375266      -1.09050633      -0.14388821      -0.43097485       0.30341723 
Hf       2.39974129       5.42107603      -6.35164510       0.40684291       0.68875866       0.55929643 
Hf       7.66137971       6.40968267      -1.08927178      -1.28296201      -1.50909104      -0.46797988 
Hf       7.47187278       5.47452503      -6.32287812       1.15511529      -0.09904238      -1.01179461 
Hf       4.98875229       3.47589863      -1.52505120      -1.26001135       0.92804011       0.18272201 
Hf       4.92207330       2.53231348      -6.80198327       1.64938574       1.54063156       0.92830183 
Hf      10.15327855       3.39301180      -1.53076048       0.21994003       0.83489768       0.16815885 
Hf      10.22989139       2.56428927      -6.78065920      -1.31309380       0.00870374       0.24429690 
Hf       4.99812849       8.63784758      -1.54479472      -0.19983638      -0.22659535      -0.47729242 
Hf       5.02677932       7.72844815      -6.87921738      -0.39434513      -0.58364038       1.42757107 
Hf      10.12733076       8.67839509      -1.48204270       2.18222280      -1.05345033      -1.27768544 
Hf      10.25078274       7.71633510      -6.77184858      -0.50517494      -0.23249197      -0.48241700 
O       1.27816110       1.44388901      -7.90729878       0.74702799       0.70702599      -0.53852088 
O       6.54762560       2.28921605      -2.76951344       0.53692179       1.05597156      -0.03315492 
O       6.48883232       1.40422635      -8.05595116       0.53669645       0.65005595       0.58611957 
O       1.35799576       7.46648012      -2.68818242       0.25239575       0.23276553      -0.73635942 
O       1.27575658       6.54800259      -7.95045608       0.29854867       0.27533515      -0.33353863 
O       6.53683008       7.50956615      -2.79090785       0.47567496      -0.08429464      -0.02227030 
O       6.38266523       6.57388763      -8.18119940       0.64063321       0.34390126       0.59306744 
O       3.91918093       1.42534211      -5.04491397       0.63324323      -0.19604182      -0.60436758 
O       3.80783178       0.58408917     -10.28000929       0.39522805      -0.49279644      -0.31730633 
O       9.15062870       1.41023663      -5.11961902      -0.36537601       0.77375921      -0.68739778 
O       9.07350933       0.40247792     -10.40453310       0.13624396       0.89847164       0.44141673 
O       4.01105483       6.61334084      -5.20867007      -0.21151466      -0.27977971       0.42937215 
O       3.85933148       5.61849006     -10.37711597       0.50432406       0.92658110      -0.19284367 
O       9.15540782       6.48815552      -5.13372015       0.65647494       0.70188048       0.35910781 
O       9.25952023       5.62260186     -10.37553773      -1.54821212       0.62935034      -0.50800355 
O       3.81321728       1.87241795      -2.50403702       0.22908916       0.38546282      -0.11817267 
O       3.88630459       1.10446196      -7.73793611      -1.00537116      -1.62847001       0.14123695 
O       9.10063382       1.79200032      -2.49584730      -0.42934112       0.58913525      -0.33891020 
O       9.11972817       0.94734938      -7.75023492      -0.53144814       0.23467423      -0.11378058 
O       3.87427688       7.05335022      -2.56246269      -0.39531696      -0.08014473       0.82977297 
O       3.76859148       6.18392387      -7.77460867       0.39571964      -0.56081211      -0.31329849 
O       9.04887997       7.02331203      -2.47705513       0.66666855       0.20694598      -0.48347121 
O       8.94820673       6.19729734      -7.75547020       0.03316369      -0.06746049       0.06215081 
O       1.22091151       2.79145317      -0.17784158      -0.09703855       0.12393946       0.50749631 
O       1.26163710       1.95788219      -5.28128645      -0.34556497      -0.26128849      -0.13501954 
O       6.31814773       2.77492920      -0.07558836       1.01666466      -0.42199782      -0.55782596 
O       6.50066978       1.89817138      -5.43331539      -0.49424350      -0.02396752       0.21021922 
O       1.30735243       8.05749921      -0.14010658       0.02537713      -0.49076072       0.34308497 
O       1.39837141       7.03702186      -5.37661107      -0.93357804       0.29822169       0.25777566 
O       6.44528899       7.85749855      -0.24314703       0.05012491       0.94685312       0.73123799 
O       6.50799255       7.07475174      -5.52144207       0.18517072       0.30419346       1.06854649 
O       3.59624121       4.71530811      -0.62808073      -0.73014868       0.18541902      -0.90182862 
O       3.44219564       3.66064452      -5.99033876       0.10724434       0.36320990      -0.76475090 
O       8.56663406       4.55782703      -0.82615211       0.67629377      -0.34882009       0.02909801 
O       8.67801418       3.81310366      -6.08995424       0.12042410      -1.01106655       0.87110450 
O       3.48955907       9.87816722      -0.77349283       1.34733474      -1.68855269      -0.28391355 
O       3.49384818       8.95891929      -6.02654688       1.06421869      -0.18499668      -0.58337426 
O       8.65258310       9.76321955      -0.88716471      -1.42294348       0.69715225       0.85587440 
O       8.71512842       8.87435473      -6.02843604       0.76552046       0.08923605      -0.52162683 
O       0.92949314       0.03286316      -1.86108777      -0.30468589       0.28560701       0.21152968 
O       1.03661521      -0.86073707      -7.10437890      -1.11000723      -0.83785379       0.09914343 
O       6.02908484       0.08977724      -1.81483154      -0.03135820      -0.42281108       0.04769324 
O       6.26849417      -0.94569402      -7.15819713      -0.95202146       0.28404340       0.28097597 
O       0.90974088       5.14185404      -1.76371742      -0.16947894      -0.27423202      -0.51461433 
O       0.86125436       4.27365056      -6.94991876      -0.17748277      -0.16991568      -0.99415920 
O       6.06839880       5.16067571      -1.85076591       0.88993321       0.49941499       0.54270445 
O       6.00509261       4.32522813      -7.03829116      -0.76056960      -0.76936802      -0.74877295 
O       1.78918636      -0.38952975      -4.43376901      -0.50582558       0.13771047       0.43176678 
O       1.78029922      -1.28745502      -9.72027046      -0.68680936       0.05215228       0.65131863 
O       7.03795547      -0.40651221      -4.44211949      -0.60563126       0.56357333       0.10906694 
O       6.89167061      -1.35687365      -9.69337458      -0.21543392       0.45002558      -0.63566322 
O       1.72444256       4.68924677      -4.46697763      -0.28347440       0.46045399       0.60244445 
O       1.55838684       3.82366144      -9.68807934       0.74390359      -0.19604388      -0.09214491 
O       6.83854898       4.69869207      -4.45136452       0.50492833      -0.07206966       0.01119168 
O       6.95220551       3.85514031      -9.71893006      -0.62767870      -0.16954623       0.64302044 
O       4.28371093       4.26292635      -3.33192383      -0.82877072      -0.67785228      -0.60808527 
O       4.22375965       3.34986177      -8.71665017       0.25971242      -0.11776298       1.52335176 
O       9.58672870       4.22302163      -3.40188817      -0.87197125      -0.70998732      -0.38352546 
O       9.38690130       3.37264087      -8.63949250       0.64288435      -0.60492346       0.43496374 
O       4.55471278       9.23734648      -3.50106179      -0.93104132       0.71661178      -0.14185896 
O       4.34998355       8.44794679      -8.64499827      -0.92302893       0.13382857      -0.85011602 
O       9.59873822       9.29679704      -3.48104337      -0.26017765      -0.26936624       0.32896375 
O       9.58579015       8.40824348      -8.71069109      -0.28332717       0.08346798       0.00635188 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002768978489890095 0.00332450640013733 0.002036947411185193 0.00332450640013733 0.0006243589420874916 -0.0021210006661457836 0.002036947411185193 -0.0021210006661457836 0.0026433138488098453" pbc="T T T" energy=-962.01473164 free_energy=-962.01473164 config_type=crystal 
Hf       2.82879667       3.01302742      -4.16409393       0.02658416      -0.46405997      -0.64904752 
Hf       2.87338475       2.16549460      -9.46231383      -0.44363000       0.08403910       0.18094839 
Hf       7.98322388       3.06338324      -4.18698720       0.69987793      -0.11945226       0.82844876 
Hf       8.02030601       2.06538167      -9.39833849      -0.68480111       1.28557214      -0.26897701 
Hf       2.76700964       8.15399654      -4.18988294       1.34862951       0.66025621       0.49423024 
Hf       2.86407702       7.17099898      -9.42738951      -0.73674093       0.45733771       0.16525123 
Hf       8.02369553       8.12840706      -4.11709929       0.07720977       0.44699074      -0.43148818 
Hf       8.02694250       7.25694161      -9.38061655       0.08767620      -0.38151984       0.19875680 
Hf       0.15481623       0.81716703      -3.74472230       0.36690862      -0.41644441       0.13418472 
Hf       0.31773366      -0.11740172      -9.05234820      -0.90263163      -0.50258373       0.91666734 
Hf       5.41531889       0.77144617      -3.72795979       0.31155750      -0.53809646       0.15330946 
Hf       5.37333171      -0.06497738      -8.93628807       0.11600798      -0.69885367      -0.27312693 
Hf       0.27339194       5.96654657      -3.76618959      -1.75424670      -1.02801887       1.56461561 
Hf       0.16146415       5.08149840      -8.92066688       0.67970380      -0.41952868      -0.50622389 
Hf       5.37035686       5.95963999      -3.64633707       1.48382444       0.10084334      -0.59144249 
Hf       5.47815274       5.07495776      -8.93014470       0.42375797      -1.45828175      -0.55905915 
Hf       2.37469964       1.22888259      -1.17986663       0.12417667      -1.03699492       0.37817974 
Hf       2.33450260       0.35735478      -6.26414152       0.24911153      -0.00840386      -0.98431065 
Hf       7.56506646       1.20614629      -1.02520068       0.07946145       0.48581649       0.03651412 
Hf       7.54270426       0.35203942      -6.33019009       0.32964811      -1.25203855      -0.70646382 
Hf       2.36983043       6.34414044      -1.13676635      -0.62825162       0.05322827       0.96649380 
Hf       2.32323089       5.49691700      -6.33213470       1.27965785      -0.89588798      -0.40070269 
Hf       7.67270721       6.32578962      -1.07601826      -0.94911310      -0.18051850       0.59341409 
Hf       7.58365771       5.50115973      -6.26896591      -0.15602129      -0.47007703      -0.49305288 
Hf       4.99379023       3.44092933      -1.56970914       0.43868200       0.60174915       0.41399377 
Hf       4.96412760       2.55163786      -6.82434206       0.25029469       0.05384322      -0.08183488 
Hf      10.19628866       3.40548143      -1.54519951      -0.45774581       1.36633702      -0.37861846 
Hf      10.14257873       2.54539127      -6.81644205       0.10617172      -0.12560138      -0.52277205 
Hf       4.98348732       8.58833662      -1.46345173       1.54926272      -0.17678611      -0.66614497 
Hf       4.94119529       7.73365773      -6.82217379       0.21877479      -0.57337425       0.50957695 
Hf      10.14309824       8.61636563      -1.51821921       0.27056861      -0.55299222      -0.16220796 
Hf      10.18935033       7.77339743      -6.79342539      -0.85224753      -0.19860044       0.16718571 
O       1.26724142       1.47113859      -8.04110070       0.49105110       0.14941520      -0.04840796 
O       6.51039728       2.44142281      -2.70866685       0.02819209      -0.59720412      -0.44855620 
O       6.47475524       1.50600021      -7.99346554      -0.04781874      -0.67075801      -0.03951006 
O       1.28765908       7.55085991      -2.74954196       1.29114265      -0.51519882       0.01781729 
O       1.44842053       6.65358264      -7.89805354      -1.00094152       0.07256270      -0.43166882 
O       6.68983850       7.57183680      -2.61866445      -1.20693083      -0.48926504      -0.45821910 
O       6.62594079       6.54538349      -7.98087166      -0.75049147       0.55336983       0.95445032 
O       3.92883082       1.40205819      -5.15663568       0.16710180       0.00969324       0.13925443 
O       3.98223059       0.57134736     -10.49198733      -0.61064731      -0.39344190       0.40714134 
O       9.09740638       1.27887991      -5.20910868       0.13014162       0.99526562       0.46363875 
O       9.19095883       0.58818902     -10.35936442       0.50383203      -0.99397594      -0.26213141 
O       3.97699409       6.54255842      -5.15566217      -0.90117061       0.38953529      -0.26144381 
O       3.97663812       5.63400038     -10.38930390      -0.17991359      -0.25193360      -0.27532986 
O       9.19759314       6.66264019      -5.11772975      -0.25379851      -0.74574372       0.17607834 
O       9.08674189       5.58990910     -10.37582639       0.45379015       0.99254555       0.46422301 
O       3.79214410       1.83829378      -2.60501610       0.16834781       0.54511746       0.38428070 
O       3.81083156       0.90506681      -7.80022936      -0.14734167       0.57313270       0.00881165 
O       9.09182181       1.95258035      -2.53479082      -0.50669307      -1.06054049      -0.20181588 
O       8.91439651       1.00518588      -7.80448094       1.17509009       0.22788866       0.30473260 
O       3.96750931       7.02654195      -2.59639250      -1.81079248       0.25434530       1.38100955 
O       3.86457037       6.11697820      -7.81699270       0.37086192      -0.31904827       0.55144384 
O       9.07719975       7.00431631      -2.43608500       0.88424497       0.25046281      -0.96807746 
O       9.07013955       6.13661797      -7.67052204       0.43357062      -0.00864008      -0.62203943 
O       1.37041185       2.80069077      -0.25121295      -0.50945869      -0.04371251       0.29299484 
O       1.21658229       1.92535736      -5.31522255      -0.03639056       0.18873775      -0.18761685 
O       6.37956663       2.72810208      -0.01023103       1.14023344       0.48024302      -1.07007529 
O       6.48340527       1.88529276      -5.47147588      -0.59395854       0.54278558       1.57982668 
O       1.19586643       7.91812925      -0.07054262       0.49506924       0.44171624      -0.41790866 
O       1.28083016       7.07029143      -5.30888503       0.44247802      -0.12326128      -0.34130702 
O       6.50865566       6.12948328     -10.49835415      -0.61793539       0.59786449      -0.84664701 
O       6.48017264       6.99422613      -5.33826840      -0.28372904       0.57996495       0.14043126 
O       3.48540648       4.67226317      -0.83124930      -0.14923816       0.08913299      -0.42218453 
O       3.45996397       3.68988930      -6.09947827      -0.68109405       0.77426375       0.11178780 
O       8.66090209       4.53992161      -0.85458381      -0.36298146       0.25246665       0.45269912 
O       8.76127161       3.73391356      -6.00317352      -0.80028065       0.73882130       0.09134531 
O       3.51145350       9.69257122      -0.75435909      -0.66686121       1.30149686      -0.83328053 
O       3.45486400       8.92019590      -6.04973721      -0.12306357      -0.31237004       0.21249377 
O       8.70032786       9.79888276      -0.73957993      -0.01565882       0.24800784      -0.62851529 
O       8.63029706       8.87068285      -6.16079476      -0.44053850       0.16715420       0.65945234 
O       0.86642467       0.00509077      -1.90139941       0.64951562       0.86937544       0.66272074 
O       0.81660071      -0.80971789      -6.98075216       0.61968466       0.65578368      -0.83237540 
O       6.11418821       0.10619795      -1.79845189      -0.58231276      -0.58888091       0.10092434 
O       6.00448748      -0.88554092      -7.04774788       0.38579821       0.59971180      -0.21394935 
O       0.78160288       5.20361153      -1.77079954       1.25567810       0.36566512      -0.59997332 
O       0.87315935       4.31453516      -7.11249974      -0.04740877      -0.57799575       0.43683357 
O       6.06861627       5.21264397      -1.72697378      -0.72583705      -0.52570005      -0.66708476 
O       6.09247104       4.24998508      -7.00392002       0.18880199       0.50389885      -0.20372568 
O       1.67898273      -0.39801526      -4.42641891       0.74374727      -0.37677048      -0.08489582 
O       1.71153542      -1.32842761      -9.76853031       0.28451492      -0.17296969       0.16525832 
O       6.86551803      -0.48005005      -4.42210653       0.29716379       0.58876788      -0.28703776 
O       6.96522236      -1.32424633      -9.64522278      -0.49517057       0.42274629       0.07769705 
O       1.61413004       4.60734373      -4.50496192       0.05736924       1.02615862       0.20413044 
O       1.74572251       3.87835998      -9.71667716       0.06458947      -0.36408738       0.11324403 
O       6.86967944       4.70766706      -4.36327805       0.36290787       0.08195782      -0.67654941 
O       6.97175755       3.80804662      -9.69200415      -0.38496038       0.06562701       0.44357658 
O       4.28901226       4.27150051      -3.46906714      -0.31456712      -0.83563450       0.54837555 
O       4.41339594       3.27042005      -8.76149932      -0.39956241      -0.08876152       0.43563623 
O       9.40564197       4.31033076      -3.40344310       0.57693149      -0.38589280      -0.29103649 
O       9.45127625       3.40934632      -8.69459716       0.21993268      -1.06647875       0.50173601 
O       4.42863455       9.30325731      -3.36265011      -1.17083947       0.22734059      -0.69556748 
O       4.31369410       8.42082969      -8.73237175       0.21583348       0.17778355       0.36756766 
O       9.58875097       9.28123549      -3.49206772      -0.77371521       0.07424422       0.35695287 
O       9.56010284       8.43342765      -8.70859486       0.58496132       0.23730478       0.09191434 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002515032991798354 -0.004166007675650138 -0.0007337077602674253 -0.004166007675650138 0.0046500222530272495 0.0019365514511444806 -0.0007337077602674253 0.0019365514511444806 0.0005069560493239722" pbc="T T T" energy=-961.71842925 free_energy=-961.71842925 config_type=crystal 
Hf       2.75633829       2.94143040      -4.14648812       0.85664823       1.12270139      -0.89903687 
Hf       2.86285066       2.14750231      -9.45265234      -0.23965239      -0.43978149       0.26527845 
Hf       8.00166250       3.05811364      -4.08821859       0.40833533      -0.39305571      -1.17346141 
Hf       8.08245681       2.10663260      -9.42453839      -0.97256677      -0.58895288       1.03927668 
Hf       2.73068673       8.17021934      -4.24508998       1.66661451      -0.15841333       0.59546983 
Hf       2.82265372       7.22549135      -9.36120527       0.01773424       0.99713315      -1.15833133 
Hf       8.03434153       8.15128430      -4.12873384       0.18771340       0.97331169      -1.91829358 
Hf       7.98142127       7.26961543      -9.36313580       0.46741496       0.50963404       0.21239975 
Hf       0.24009904       0.82201725      -3.79444078      -0.46744385      -0.77897709       0.59765879 
Hf       0.27324211      -0.15004674      -8.97183864      -0.88998504      -0.50488616       0.00443177 
Hf       5.35375930       0.79943619      -3.74572752       1.37188749      -0.50827300       0.45802252 
Hf       5.39754910      -0.10701977      -8.90263002       0.22454367      -1.42777270      -0.72682519 
Hf       0.17638617       5.96387585      -3.71041237       1.36539857      -0.36433749      -0.43201831 
Hf       0.21813707       5.08553548      -8.98732175      -0.29397256      -0.58410379       0.76377667 
Hf       5.37491935       5.93590814      -3.68618406       0.63475496       0.79466025      -0.87320020 
Hf       5.36475203       5.04777570      -8.94975266       1.23314902       0.04496329       0.19598477 
Hf       2.41453156       1.29047053      -1.12216171      -0.31393053      -1.56543557       0.81074075 
Hf       2.41869256       0.30594958      -6.42477558      -0.15371496      -0.14618891       0.53890690 
Hf       7.55387736       1.21174609      -1.10177567       0.73841660      -0.06498832       1.01610955 
Hf       7.50254597       0.43398315      -6.30626451       0.65003080      -2.22798119       0.12384321 
Hf       2.43922493       6.31949163      -1.11808685      -0.35228760       0.79925998      -0.05839775 
Hf       2.36743807       5.42949716      -6.40145294      -0.03071803       0.17746474       1.23855038 
Hf       7.63173568       6.41148459      -1.03234139      -0.93396522      -0.18505404      -0.00464251 
Hf       7.52702717       5.48299806      -6.28299616       0.81098308      -0.00196013      -0.97227941 
Hf       5.07344535       3.45980823      -1.62826754      -0.26036094      -0.28583140       1.11415472 
Hf       4.95867114       2.56324903      -6.79144572       0.32006335       0.24865028       0.94758394 
Hf      10.16126869       3.41492266      -1.54650001      -0.03220609       0.35010044      -0.45854111 
Hf      10.13684713       2.55538193      -6.75360172      -0.33445746      -0.09459649       0.10526084 
Hf       4.97134948       8.59428829      -1.51099438      -0.07264185       1.43542068      -0.37778880 
Hf       4.97789017       7.66268447      -6.71800904       0.10723579       0.78930695      -1.42544496 
Hf      10.21768570       8.61716445      -1.57321392      -0.08075680       1.15724157       0.39878239 
Hf      10.17236282       7.75317180      -6.75856345      -0.89122699      -1.22266927       0.18924785 
O       1.37175605       1.40503468      -8.05543799      -0.00676126       0.12846253       0.08139933 
O       6.56995362       2.41633876      -2.74312694      -0.89217533      -0.23525115       0.23105835 
O       6.52703204       1.41946169      -7.94864694       0.09896313       0.62914006      -0.16386002 
O       1.40348001       7.52061030      -2.72205678      -0.49344669       0.08245014      -0.09636148 
O       1.32232193       6.56441844      -7.97130143       0.39556458      -0.16329100      -0.22691009 
O       6.65669232       7.52181176      -2.80908017      -1.37274488      -0.40872480       2.20730993 
O       6.52116443       6.59542033      -8.02249073      -0.29852503      -0.16795303       1.18649212 
O       3.98796458       1.40799670      -5.17338874      -0.96219255       0.48307401      -0.17205097 
O       3.93372132       0.47632245     -10.44364201       0.03374627       0.82197964       0.46868669 
O       9.02903772       1.39408091      -5.10284203       0.89794091       0.55165954      -0.05477205 
O       9.09226953       0.42545828     -10.33445514       0.73613852       0.79205608      -0.20122229 
O       3.88730683       6.59535960      -5.25172142       0.11405459      -0.51031212       1.07408477 
O       4.00081104       5.67360753     -10.42913146      -0.79224183      -0.39720758      -0.01689682 
O       9.17827301       6.54100613      -5.21115545      -0.45840564       0.18662452       1.29315203 
O       9.12783125       5.69625777     -10.41638952       0.08600047      -0.61149594       0.20453807 
O       3.81232704       1.80084105      -2.55937531      -0.07445611       1.38128403      -0.29177082 
O       3.85901281       0.98842581      -7.75564346       0.28586057      -0.04463573      -0.61423640 
O       9.01850789       1.87511776      -2.54184049       0.79820274       0.48688658       0.30907494 
O       9.05952015       0.89838846      -7.71756539       0.14490397       0.58328973      -0.09408491 
O       3.91023655       7.04948753      -2.61603720      -0.16907315      -0.01291773       0.75524074 
O       3.89988761       6.17708516      -7.80549257      -0.82152272      -1.29226772       0.22853056 
O       9.11459474       7.04361069      -2.50777964       0.02927070      -0.27528347       0.13403320 
O       9.02490405       6.06197702      -7.72915458       0.14584876      -0.00655115      -0.47544125 
O       1.20171056       2.83314985      -0.21234934       0.79052950      -0.14989742       0.23279389 
O       1.26489488       1.78881136      -5.40128892      -0.12820312       1.38322842       0.18168379 
O       6.48101976       2.76397606      -0.16227216      -0.40376276       0.70189094       0.56279282 
O       6.44029032       1.95313593      -5.27657956      -0.09593703       0.28456150      -0.85457301 
O       1.26931647       7.92064328      -0.15078903      -0.15437386       0.28880527       0.10028660 
O       1.28755756       7.02665066      -5.31161172      -0.26534754       0.24517176      -0.45414707 
O       6.43117492       6.22154248     -10.48944073       0.39764444      -0.70084248      -1.66672193 
O       6.37853727       7.09072284      -5.32241230       0.75562598      -0.75266023       0.05340566 
O       3.58910568       4.63028371      -0.80912741      -0.75913663       0.38993208       0.05840747 
O       3.46363601       3.77107157      -6.04142379       0.16975666      -0.79558606      -0.28723747 
O       8.61434359       4.54995751      -0.79770645       0.27064077       1.04540605      -0.34899765 
O       8.63738688       3.74687912      -6.00384724       0.30086630      -0.29163087      -0.44800150 
O       3.47175810       9.78234610      -0.73007984       0.12170083      -0.17473943      -0.93685281 
O       3.53578393       8.94897718      -6.07323647      -0.19510574      -0.23116231       0.24955069 
O       8.67394461       9.78494008      -0.75977266       0.29995955      -0.23762199      -0.53505801 
O       8.65846785       8.86051456      -6.04040188      -0.20265547       0.71929272      -0.27526302 
O       0.85337799       0.14158559      -1.86944445       0.20047198      -0.20937883       0.11025161 
O       0.99814868      -0.99539262      -7.06523272       0.16896580       1.35787953      -0.26669948 
O       6.05958461       0.10307314      -1.70162148      -0.83555894      -0.87306905      -0.86834590 
O       6.08167282      -0.96081416      -7.05371789       0.26198496       1.40604594      -0.15282967 
O       0.90727983       5.19593040      -1.79623700      -0.46014256      -0.67787968      -0.01303772 
O       0.87145326       4.22155335      -7.08680943       0.36913301       0.36818765       0.17385280 
O       6.05159572       5.23844563      -1.78052140       0.38393519       0.19879476      -0.07571868 
O       6.05912089       4.26131133      -7.04065264      -0.02255008       0.34972280       0.18793101 
O       1.79782433      -0.37632406      -4.46709114      -0.68506598       0.11493711       0.19416501 
O       1.74223615      -1.28334892      -9.68237984       0.06899684      -0.13541638      -0.31385502 
O       6.83484556      -0.45142472      -4.49074476       0.22745558       0.25047352       0.50086177 
O       6.93724712      -1.27017862      -9.58148612       0.26253230      -0.17208206      -0.45259300 
O       1.76289382       4.72097642      -4.44255642      -0.50387505      -0.26747835       0.24683244 
O       1.81858912       3.93668761      -9.67233256       0.11371518      -0.88702141      -0.09617155 
O       7.03297052       4.82630890      -4.38087115      -0.95550787       0.10016282       0.50369377 
O       6.89079325       3.83514785      -9.62515427       0.88482479      -0.27533756      -0.77310664 
O       4.35734560       4.23139757      -3.49084020      -0.52584056      -1.25465881       0.33100219 
O       4.33879809       3.26001704      -8.63139246      -0.37369500       0.41414017      -0.73703616 
O       9.54278316       4.25828908      -3.47612195       0.00275045      -0.75282160       0.85899206 
O       9.59624632       3.23660350      -8.58533510      -0.81866550       0.39065537      -1.84759022 
O       4.33837832       9.45004574      -3.40476638      -0.97226418      -1.72941831       0.25895995 
O       4.27134710       8.42899909      -8.70663293       0.52406631       0.73336685       0.51297074 
O       9.52698232       9.39087726      -3.52198536       0.20541553      -0.60042456       0.98682202 
O       9.65173205       8.31243070      -8.64476569      -0.61448899       0.78091988      -0.80138640 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0012793721574694446 -0.004190736509840851 -0.00041022088418180973 -0.004190736509840851 -0.008367165302478493 0.0021923729034606073 -0.00041022088418180973 0.0021923729034606073 -0.006155936593978791" pbc="T T T" energy=-962.42270398 free_energy=-962.42270398 config_type=crystal 
Hf       2.82880176       2.98592406      -4.17791501      -0.26509022       0.96998507      -0.01257835 
Hf       2.82038313       2.12156573      -9.45518046       0.56855465      -0.95274227       0.26880205 
Hf       8.07886914       3.02693203      -4.15371924      -1.93000943       0.16759564      -0.72987393 
Hf       7.96130566       2.12293262      -9.36305820       0.80033523       0.24682079      -0.77491500 
Hf       2.85351383       8.24780579      -4.12589259      -0.88495491      -1.29087542      -0.15342252 
Hf       2.79562992       7.22488725      -9.44000218      -0.05512808       0.23822602       0.30166768 
Hf       8.01080118       8.17436318      -4.15156211      -0.81501095       0.05431826       0.66794389 
Hf       8.02710023       7.21550475      -9.36431292      -0.48417336       0.74533194      -0.40886952 
Hf       0.16629075       0.82742887      -3.73187021       1.48899066      -0.70152829       0.32731525 
Hf       0.22278891      -0.11176327      -8.99562257       0.49908889      -0.28904872       0.36881767 
Hf       5.39677595       0.82044688      -3.69567491       0.26447938      -0.00596282      -0.83690245 
Hf       5.35833571      -0.17729797      -9.00861663      -0.13975927       0.20195643      -0.10980025 
Hf       0.20662380       5.87214089      -3.66359520       1.05576789       1.81085909      -0.49212900 
Hf       0.26908121       5.04579192      -8.98564471       0.07724777       0.00916898       0.36782334 
Hf       5.42602193       5.87247687      -3.70184820       0.38101911       1.53784393      -0.39109574 
Hf       5.36295970       5.03423974      -8.98192634       1.05428259      -0.45951732       0.25448208 
Hf       2.27832643       1.14502559      -1.12545081       1.89112416       0.94189304       0.12316086 
Hf       2.38437103       0.36499581      -6.34107038       0.18091468       0.23211966      -0.28342131 
Hf       7.61318599       1.18299156      -1.08996450      -1.52331843       0.33202129       0.67814577 
Hf       7.56122007       0.34433351      -6.40379121      -0.95966328       0.50546294       0.73275346 
Hf       2.40414947       6.35668985      -1.03718783      -0.13972171       0.46137133      -1.05736298 
Hf       2.37703527       5.52558135      -6.36120347      -0.17853286      -0.43914447       1.12951199 
Hf       7.58266938       6.33273851      -1.04222265       0.14811501       0.49263302      -0.77788494 
Hf       7.62054450       5.52641287      -6.34032893      -1.12668012      -0.71377692       0.02653026 
Hf       5.04958570       3.49826052      -1.56940515      -1.42287437      -1.31341224       0.01918228 
Hf       4.96158853       2.59276855      -6.82470254       0.73361020      -0.03992752       0.30657712 
Hf      10.19442422       3.46774675      -1.52693028      -0.53027532       0.10445186       0.40824527 
Hf      10.23155862       2.63941072      -6.79720088      -0.39714287       0.09488078      -0.00083763 
Hf       5.00236139       8.60338649      -1.53122817      -0.02846746      -0.09683861       0.23473323 
Hf       4.93009336       7.64460176      -6.73696175       0.88196941       1.31058779      -0.43766015 
Hf      10.17729852       8.58919473      -1.55343701      -0.43382258      -0.79398281       0.41606605 
Hf      10.12710457       7.76717152      -6.73183789       1.88823471      -0.41849191      -0.29332502 
O       1.29487763       1.47049063      -8.06729693       0.07202056       0.12794257       0.42269100 
O       6.47696546       2.35117583      -2.84762582       0.48981260       0.47406188       0.45632055 
O       6.49983004       1.40363713      -8.09316218      -0.13237919      -0.01020441       0.41525801 
O       1.33296097       7.52403861      -2.72063889      -0.19476725       0.10234636       0.33225729 
O       1.37197580       6.64232248      -7.97030923      -0.20012587      -0.14856010       0.18886379 
O       6.53423116       7.57271904      -2.69888934       0.02259073      -0.61645130      -0.02167522 
O       6.51966615       6.61442086      -7.95609395       0.18415236       0.05669881      -0.19889199 
O       3.90423387       1.52491139      -5.14386697       0.94943881      -1.11193959      -0.06303553 
O       3.82541954       0.46113657     -10.42110786       0.79953903       0.46046606       0.41769710 
O       9.21697135       1.50612673      -5.08776319      -0.89319837       0.02118687      -0.52326866 
O       9.06290177       0.46411167     -10.25525626       0.02043464       0.46196917      -0.70455900 
O       3.96688953       6.67406910      -5.11329074      -0.20183475      -0.50768837      -0.00324510 
O       3.93179008       5.67619661     -10.39886300       0.16868230      -0.03790857       0.35786722 
O       9.09892815       6.60400254      -5.04316783       0.34324216       0.18920014      -0.98229850 
O       9.18892743       5.70942791     -10.34607635      -0.69707154      -0.22180142      -0.04525099 
O       3.75632366       1.98476833      -2.58760928      -0.12841136      -0.56561916       0.81469179 
O       3.80785339       1.07411173      -7.75030391       0.14485762      -0.64799769      -0.22971475 
O       8.96085214       1.93138635      -2.42774796       1.39433443       0.14084830      -1.05503525 
O       9.02753768       1.16726526      -7.74585397      -0.03964385      -1.01634390       0.60383301 
O       3.79316037       6.95351805      -2.45777249       1.19333116       0.85125949      -0.61718362 
O       3.87153374       6.06293065      -7.71649612       0.20628900       0.25180457      -0.33840648 
O       9.06070142       6.91275649      -2.47061135      -0.01672828       0.82973083       0.16795067 
O       9.12706818       6.15112588      -7.70933787      -0.30360511       0.10736457      -0.12148015 
O       1.21818447       2.78024660      -0.16328063      -0.04142664      -0.17326763      -0.34204480 
O       1.30359020       1.95427000      -5.33498969      -0.37058772      -0.04743686      -0.25940614 
O       6.45711792       2.78632463      -0.23656894       0.13910812       0.05413103       0.92436178 
O       6.50320512       1.91321813      -5.37913741      -0.16251861      -0.14107462      -0.82031584 
O       1.23283292       7.95305953      -0.06194484       0.44342050      -0.28563971      -0.55363262 
O       1.31940621       7.07034754      -5.30922073      -0.73682221      -0.10112393      -0.58927305 
O       6.50446535       7.90202218      -0.06708267      -0.57848787       0.41549970      -0.05159912 
O       6.47388370       7.09552447      -5.36284827       0.04224288      -0.03736573      -0.08036295 
O       3.61747513       4.73253194      -0.76222276      -0.21721348      -0.52493418      -0.15175349 
O       3.55802457       3.79763828      -6.06938601      -0.59796757       0.78086066       0.32392556 
O       8.73431628       4.66608009      -0.76685982      -0.05634208      -0.46417303       0.27640842 
O       8.73393288       3.85804054      -6.01708638       0.73368873      -0.71686769      -0.16965516 
O       3.43275803       9.72124989      -0.80684868       0.07070807       0.35839461      -0.79571020 
O       3.52368952       8.97491457      -6.07676782      -0.13664427      -0.24787480       0.55603649 
O       8.55791151       9.71833560      -0.79233550       0.92559634      -0.15099187      -0.10859832 
O       8.72383829       8.97480677      -6.06122779      -0.47111058       0.12752424       0.64435928 
O       0.80865027       0.03305849      -1.80508238      -0.45037989       0.00317025      -0.39531638 
O       0.95714016      -0.83821652      -7.09161471      -0.82540386      -0.47127640      -0.11809244 
O       6.01099814       0.12207476      -1.76801584      -0.32569350      -0.56461749      -0.33509837 
O       6.05784164      -0.83023725      -7.03078345      -0.29839072      -0.54522105      -0.59493016 
O       0.93374506       5.12572081      -1.78560316      -0.15356901      -0.12651149      -0.40040809 
O       1.03848183       4.25219477      -7.16678293      -0.29090963       0.05119069       0.31018247 
O       6.17612736       5.07715089      -1.88038375       0.69282830       1.37263930      -0.28053651 
O       6.22016631       4.19157243      -7.23147053      -0.07984184       0.42796808       0.52555136 
O       1.75361913      -0.34440038      -4.43731295      -0.58359435       0.10118595       0.40723165 
O       1.68627900      -1.40282475      -9.78426428      -1.18606783       1.07457650       0.61784147 
O       6.87158762      -0.39476567      -4.42053711       0.61545678      -0.19279370      -0.32860314 
O       6.81496935      -1.33949104      -9.73127613       0.63354589      -0.53194025       0.57272924 
O       1.58973259       4.63295939      -4.41998468       0.93125721       0.12152667      -0.81906467 
O       1.75033465       3.79446431      -9.73211092      -0.67383823       0.58165761       0.33991537 
O       6.83994034       4.71734622      -4.55200801       0.61974138      -0.35646332       0.22683891 
O       6.80623869       3.77990231      -9.79238082       0.33101965      -0.35910559       0.42459431 
O       4.36318671       4.27298589      -3.48031326      -1.13271877      -1.11981833       0.24606348 
O       4.30865231       3.28327728      -8.72059387       0.15446399       0.59806022       0.25098470 
O       9.47642471       4.26749358      -3.47508576      -0.19585554      -1.11042554       1.24477920 
O       9.55307225       3.37858845      -8.67191169      -0.77129610      -0.20971739      -0.19590962 
O       4.33067361       9.34567154      -3.37961360       0.11701979       0.26722212       0.03760645 
O       4.21693770       8.44007315      -8.71347017       0.70787866      -0.03095894       0.91548053 
O       9.49780960       9.32795336      -3.37215640      -0.20947079       0.29148933      -0.51990360 
O       9.49426609       8.49321757      -8.62553995      -0.40377019      -0.31221831      -0.07649352 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0018209192745199745 -0.002719497091290973 -0.0030413439421971625 -0.002719497091290973 -0.004486360515241392 0.0014825303709736918 -0.0030413439421971625 0.0014825303709736918 -0.004807186074250822" pbc="T T T" energy=-962.17747038 free_energy=-962.17747038 config_type=crystal 
Hf       2.83870247       3.11537808      -4.11417467       0.10018711      -1.29554602      -0.39234691 
Hf       2.77092190       2.07556871      -9.49355160       0.70260233      -0.28207537       0.84947135 
Hf       7.98996219       3.02776283      -4.14646764       0.88524162      -0.43933814      -0.79680187 
Hf       7.94784337       2.10754535      -9.33520614      -0.19028471       0.04794661      -0.83951771 
Hf       2.89489474       8.15789362      -4.12831213       0.06776870      -0.01420007      -0.49472461 
Hf       2.81309725       7.34125437      -9.40966064      -1.06348309      -1.69272159      -0.46430468 
Hf       8.03544706       8.18312367      -4.12723540      -0.02281703      -0.42304526      -0.87441590 
Hf       7.99553233       7.25374568      -9.40006709      -0.35436375      -0.59521516      -0.29751309 
Hf       0.25664860       0.77504741      -3.74711685      -0.15282995       0.26926511       0.13687375 
Hf       0.16199426      -0.11809886      -8.94885034       0.13576455       0.45324126      -0.47193634 
Hf       5.44675649       0.79115236      -3.72013875      -0.66443881      -0.40493754      -0.67045267 
Hf       5.40042284      -0.22075247      -8.97776223      -0.05804318       2.21849551      -0.55188487 
Hf       0.16492754       5.95390972      -3.71575454       0.88969335      -0.61046849      -0.40504108 
Hf       0.19041286       5.02032860      -9.02000083       0.80469718      -0.46406454       0.76727969 
Hf       5.51356723       5.96621871      -3.67920946      -1.51883830       0.22211530      -0.18146815 
Hf       5.36885359       4.98415730      -8.92971555      -0.30552717       0.47361570      -0.59917354 
Hf       2.28920580       1.26314456      -1.14952876       0.76368307      -0.37900802       0.10828146 
Hf       2.43542405       0.36153579      -6.28743098       0.03884765      -0.04956394      -0.54992406 
Hf       7.59390244       1.21161132      -1.09515295       0.15166152       0.14491525       0.40719507 
Hf       7.56846886       0.33602605      -6.39776703      -0.36138249      -0.00030003       1.07924061 
Hf       2.30704126       6.34260997      -1.14790558       1.43362042      -0.24536013       0.62666555 
Hf       2.40210352       5.51182692      -6.33480625      -0.00709357      -0.47455887      -0.34208793 
Hf       7.59824963       6.32664291      -1.08796477      -0.09607424       0.79364289       0.69962665 
Hf       7.62103617       5.45602023      -6.33142349      -0.68557964       0.88924561      -0.48958084 
Hf       4.99176132       3.46303557      -1.60331710      -0.20859626      -0.13037779       2.57619508 
Hf       4.96972693       2.57191481      -6.80950799      -0.97673447      -1.03128364       0.52555534 
Hf      10.15077802       3.45026635      -1.50643535      -0.47022545       0.17684947      -0.33608313 
Hf      10.19841337       2.57253347      -6.78857234       0.30372784       0.53708170      -0.06927882 
Hf       4.97354890       8.62545847      -1.48268848      -0.01776445      -0.43520908       0.22239813 
Hf       5.00669976       7.72179032      -6.80557646      -0.18339964      -1.04812064       0.47384832 
Hf      10.20341827       8.57664156      -1.50450922      -0.68872208       0.57951536      -0.54916714 
Hf      10.18611843       7.75779459      -6.79409334      -0.52700914      -0.98528151       0.26739725 
O       1.32732673       1.50073665      -8.03791472      -0.57838579      -0.45764512       0.53572150 
O       6.49575818       2.34218807      -2.75138292       1.06472661       0.50799486       0.16862715 
O       6.45144368       1.38347216      -7.89422881       0.73588576       0.72642400      -1.10060021 
O       1.34619696       7.59381405      -2.78934442       0.46790689      -0.83787189       0.29797115 
O       1.29275011       6.58292613      -8.01396751       0.14981412       0.51949354      -0.24888738 
O       6.66235659       7.45103503      -2.70903112      -0.51314387       0.17683234      -0.31040372 
O       6.45929760       6.65697783      -8.00815155       0.57361875      -0.75368622      -0.24494782 
O       4.02466612       1.37706878      -5.18208553      -0.73901274       0.59305459       0.58406111 
O       3.96707230       0.50690668     -10.35959470      -0.55855751      -0.00548817      -0.58562563 
O       9.15467042       1.44421293      -5.21141230      -0.69962778       0.01932224       0.61831743 
O       9.08483672       0.53101477     -10.37851769       0.38785448      -0.05160559       0.36836107 
O       3.95529188       6.52247384      -5.17758708       0.40549857       0.59224290       0.79023623 
O       3.87176586       5.69437518     -10.33864277       0.65504837      -0.05449082      -0.27910690 
O       9.16132592       6.53552238      -5.12369388      -0.51489813       0.64588682      -0.02124088 
O       9.09547452       5.64857891     -10.43237971       0.56158668       0.27758158       0.90631908 
O       3.85053309       1.93003262      -2.48185264      -0.82035585      -0.44598588      -0.47383013 
O       3.84441777       0.87201513      -7.70091588       0.09139034       0.47363056      -0.65402957 
O       9.16089794       1.90765126      -2.47416873      -1.38982499      -0.81271452      -0.54278620 
O       9.03269999       1.00617567      -7.77469771      -0.18904283       0.01366177       0.16232255 
O       3.99204724       6.97496719      -2.45885353      -0.99264187       0.57616258      -0.34970943 
O       3.86974661       6.09059802      -7.82428883      -0.41444440       0.53546314       1.03550915 
O       9.15151655       6.99089476      -2.46874592      -0.38421879      -0.26637494      -0.32074146 
O       9.05962249       6.10281376      -7.72919899      -0.03735491       0.40504993      -0.65719449 
O       1.23480843       2.88287394      -0.18614282       0.27376385      -0.86269605      -0.03660889 
O       1.24696175       1.91073976      -5.27706164       0.46806688       0.30293771      -0.53782134 
O       6.52202786       2.82028075      -0.00143606      -0.59975321      -0.33709764      -1.15583010 
O       6.46822234       1.98130270      -5.40490238       0.85338292      -0.63093317       0.84403718 
O       1.23796354       7.89804109      -0.18067517      -0.10500418       0.07841143       0.55968836 
O       1.30736884       7.06497681      -5.37842893      -0.36100171       0.19523808      -0.00120899 
O       6.51534254       7.95813506      -0.11756182      -0.90317224      -0.04647581      -0.13245741 
O       6.46893875       7.07011303      -5.41808586       0.12611011      -0.22650910       0.76060471 
O       3.45721408       4.62434043      -0.82530944      -0.06163508       0.11854757      -0.39359082 
O       3.48306981       3.76817906      -5.96059764       0.48016169      -0.13712822      -0.43656967 
O       8.64304741       4.62828046      -0.78483535       0.18804133      -0.22760937       0.03196159 
O       8.75556464       3.86160392      -6.05454617       0.05911104      -1.10186335       0.56198216 
O       3.41039167       9.73748882      -0.81128465      -0.08012976       0.86037930      -0.12558911 
O       3.59754852       8.94721369      -6.00895452      -0.64949535      -0.18731952       0.28612599 
O       8.71087224       9.78485891      -0.78037765      -0.19490686       0.28747555       0.00801992 
O       8.60937734       8.89843816      -6.07254385       0.70226149      -0.34831486       0.18002860 
O       0.77299233       0.10110275      -1.84599591       0.89483494      -0.06005253       0.21902722 
O       0.85811420      -0.87430213      -7.12235958       0.91078861       0.65340970       0.58215749 
O       6.07868821       0.03956374      -1.88511605       0.57643393       0.00576550       0.84796074 
O       6.10206772      -0.90281213      -7.19047929       0.50456537      -0.47182382       0.89584581 
O       0.80586899       5.16345905      -1.86589820       0.68107083       0.64774544       0.30651689 
O       1.01363967       4.23386411      -7.10882443      -0.87705594      -0.22840296      -0.17615147 
O       6.04313698       5.19844616      -1.69447489       0.22691332      -0.05020924      -1.04677788 
O       6.14143406       4.20353278      -7.04752212      -0.24990838       0.74518408      -0.59018404 
O       1.80561352      -0.39394347      -4.43562635      -0.39261251      -0.37299784       0.29193157 
O       1.52939376      -1.32474655      -9.79965961       0.65794017      -0.22166698       0.16174572 
O       6.80957512      -0.53016106      -4.46026671       0.20274244       1.18442477      -0.53884968 
O       6.85374136      -1.37520977      -9.80562132      -0.06886249      -0.20400022       0.27923685 
O       1.76666560       4.75352436      -4.39660649      -0.69167458       0.67268041       0.12916498 
O       1.75236845       3.80673323      -9.74899544      -1.37880961       0.85509934      -0.20038815 
O       6.90384034       4.75930671      -4.40869455       0.89695223      -0.79059088      -0.01892042 
O       6.88840078       3.86903700      -9.66349621       0.16742299      -0.63581715       0.13001550 
O       4.33781517       4.23855576      -3.33842012       0.24323443       0.61072457      -1.04493897 
O       4.15334784       3.25167567      -8.63489944       1.61966160       1.10279283       0.32158054 
O       9.59465951       4.07669647      -3.49803499      -0.14639826       1.11549427       0.11035775 
O       9.41724180       3.36187110      -8.65847630       0.71138111       0.00666545       0.20154442 
O       4.31597165       9.39801813      -3.33461208      -0.50248310      -0.69689522      -0.37818038 
O       4.21137307       8.48151075      -8.67537794       0.29890551      -0.09283042       0.33778950 
O       9.51226104       9.30258532      -3.42868325       0.22233290       0.58574434      -0.15324461 
O       9.37777239       8.52482384      -8.61613143       0.25031933      -0.24157780      -0.02367952 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0030754814082479963 -0.001164619696590195 0.00036820319454258267 -0.001164619696590195 -0.005917023190156389 0.0018981575130471412 0.00036820319454258267 0.0018981575130471412 -0.00758995908573927" pbc="T T T" energy=-962.08904095 free_energy=-962.08904095 config_type=crystal 
Hf       2.77918073       3.05234116      -4.11974733      -0.26892529      -0.81967689      -0.02806513 
Hf       2.76980941       2.11171627      -9.39417007       0.72018569      -0.10468131      -0.31475452 
Hf       7.98552917       3.09028504      -4.14938009       0.99665792      -0.80108970      -0.20211633 
Hf       8.03272906       2.11757222      -9.34468407       0.46869927       0.14089777      -0.74248585 
Hf       2.85791485       8.12115353      -4.16388559       0.45444336       1.02991085       0.10435401 
Hf       2.79654509       7.30249882      -9.46599985       0.72650128       0.22434325       0.69330982 
Hf       8.01243931       8.14993487      -4.17759967       0.09298344       0.95189734      -0.60172797 
Hf       7.98032073       7.20899659      -9.41261802       0.33933523       0.61732337       0.09436707 
Hf       0.20810950       0.76851983      -3.73815208      -0.01960869       0.20524697       0.39394612 
Hf       0.17132505      -0.11577832      -8.81737808       0.44928494      -0.02189625      -1.30825017 
Hf       5.43389019       0.80741088      -3.74818844      -0.16134159      -0.11679600      -0.07186731 
Hf       5.44176406      -0.14459849      -8.96572090      -0.71646337       0.45825532      -0.30749042 
Hf       0.18249847       5.97941601      -3.75759413       0.15652439      -1.14897599       0.64445281 
Hf       0.26715433       5.07572830      -8.96465162      -0.87495957      -0.82973070      -0.09944091 
Hf       5.44746844       5.92236833      -3.77849050       0.46702196       0.17480819       0.53189139 
Hf       5.35373717       5.05145384      -8.98036879       0.59011892      -0.82621683       0.27643986 
Hf       2.31221573       1.24099810      -1.06552733       0.25331971      -1.00353588      -0.27746182 
Hf       2.43409358       0.37348602      -6.31374292      -0.40483797       0.05836350       0.13478796 
Hf       7.57422187       1.20724452      -1.03033630       0.44163258       0.27816925      -0.28945398 
Hf       7.57025859       0.37832225      -6.38336159       0.48803005      -0.28516310       0.82275731 
Hf       2.36225591       6.34096644      -1.11431284       1.02898680      -0.36819504       0.37262297 
Hf       2.37286419       5.46663273      -6.32620628       0.30584338       0.23048425      -0.40966851 
Hf       7.60897938       6.31352007      -1.10629669      -0.20074038      -0.75276140       0.67763415 
Hf       7.60810857       5.47938545      -6.43038268      -0.72171079      -0.55879826       0.73470622 
Hf       4.95082938       3.41645673      -1.59832260       0.51043562       0.29611069       2.24533263 
Hf       4.89181718       2.58538743      -6.81523112       0.66817974      -0.12740959       0.61946680 
Hf      10.16975662       3.45146318      -1.50416270      -0.70616676       0.17916411      -0.68615348 
Hf      10.21151044       2.59083096      -6.74374734      -0.00900546       0.15636781      -0.42280164 
Hf       5.04855446       8.61672882      -1.54980003      -0.95255106       0.13710770      -0.07440224 
Hf       4.97092358       7.72891918      -6.78304137       0.85179133      -0.20043156      -0.02085375 
Hf      10.18280871       8.50913171      -1.56639505      -0.72946992       1.27522481       0.83557556 
Hf      10.20578612       7.72085533      -6.73954038      -0.16430499       0.54419135      -0.41149902 
O       1.38504139       1.48560161      -7.93021684      -0.50518834      -0.26586986      -0.33727556 
O       6.56617955       2.30276943      -2.72420100      -0.45683716       0.39567012      -0.11471089 
O       6.61147053       1.33282763      -8.00923164      -0.68140692       1.08742148       0.28023392 
O       1.42332973       7.37245736      -2.72215181      -0.71722894       1.15910309      -0.36407551 
O       1.33728063       6.59662059      -8.01904391       0.10114226       0.44553802       0.47425309 
O       6.47995247       7.53828869      -2.88554721       0.32225982      -0.15460947       1.50841976 
O       6.52598532       6.52658275      -7.94106237       0.04162159       0.41060714      -0.97923142 
O       3.82634053       1.43210157      -5.11161936       1.34181476       0.38620114       0.37178226 
O       3.87026571       0.51446862     -10.31838357       0.10724670       0.22530666      -0.46780996 
O       9.12901075       1.59747257      -5.17152677       0.18194456      -1.08058886       0.79609227 
O       9.14524881       0.60609593     -10.35296883      -0.25678147      -1.11024138       0.42584685 
O       3.98974621       6.56642706      -5.15294767      -0.25646625      -0.18195181       0.10172009 
O       3.89990683       5.70408270     -10.42106522       0.45727707      -0.14074437       0.04768320 
O       9.16065440       6.58895122      -5.21472838      -0.00268138       0.27212715       0.38597479 
O       9.10194892       5.68030863     -10.36681490       0.77863459      -0.48191409      -0.11284422 
O       3.77818879       1.85394552      -2.50044256       0.02719909       0.78691128      -0.09404446 
O       3.84419106       0.98939779      -7.74758783       0.71215508      -0.08439987      -0.22083116 
O       9.09378786       1.92067376      -2.47709115      -0.10249462      -0.24995212      -0.18699689 
O       9.10486288       0.96989155      -7.74140645      -0.01162122       0.25566177       0.55418145 
O       3.94944433       6.96259838      -2.60455418      -0.61699352       0.71083181       0.84992048 
O       3.89100173       6.18393926      -7.73073575      -0.66912998      -0.88656775      -0.30159890 
O       9.02902089       6.95845708      -2.56831687       0.11687027       0.33620020       0.31812853 
O       9.04969311       6.18426108      -7.75425255       0.41836157      -0.24841602      -0.46085515 
O       1.20304789       2.77483311      -0.20697441       0.92636108       0.36962301       0.94388640 
O       1.31547369       2.00198477      -5.34012238      -0.62543488      -0.21482896       0.29167516 
O       6.46473505       2.81913867      -0.05239466      -0.27720543      -0.57513292      -0.75661780 
O       6.38972127       1.95447973      -5.42539080       0.09497767      -0.07571209       0.21849279 
O       1.29225481       7.99766951      -0.17528049      -0.15031118      -0.48371324       0.39563254 
O       1.34558580       7.07381317      -5.31047062      -0.51156842       0.15037433      -0.61450249 
O       6.50078158       7.87390579      -0.10874500      -0.67318995       0.27267342      -0.39127709 
O       6.52263694       7.10330370      -5.34267581      -0.17490346      -0.39289968      -0.92779200 
O       3.53897801       4.67756940      -0.72407424       0.08868135      -0.15634825      -0.45105130 
O       3.42840044       3.73358009      -6.03262336       0.08785107       0.61284524       0.45589500 
O       8.74689456       4.64952686      -0.73148104      -0.22105362       0.77211306      -0.22385179 
O       8.71806295       3.78596390      -6.10726414      -0.44071703       0.66379968       0.03455364 
O       3.61467245       9.89806666      -0.67179068      -0.28890408      -0.23407721      -0.99191834 
O       3.55387292       8.91049198      -6.01345202      -0.24887842       0.32245162       0.25131966 
O       8.65753086       9.74238100      -0.75503333       0.19608022       0.34088845       0.00085825 
O       8.89224783       9.05492696      -5.94714923      -0.71844166      -0.41710084       0.04811094 
O       0.84292983      -0.06857001      -1.82616272       1.09190597       1.17034295      -0.13202984 
O       0.99437128      -0.88772557      -6.97613179      -0.70330573      -0.22815167      -1.14336473 
O       6.13953731      -0.00186826      -1.83994905       0.05828683       0.16755047      -0.39056325 
O       6.21915585      -0.93254105      -7.14296740      -0.26065782      -0.23254996       0.36024946 
O       0.97504149       5.07554255      -1.87124530      -0.21216539       0.30532280       0.00729676 
O       0.95259201       4.29855910      -7.11259026      -0.31606009      -0.05319517       0.22742077 
O       6.22275703       5.05820659      -1.81738812      -0.50213212       0.54787521      -0.86970508 
O       6.04266859       4.24008101      -7.11092728       0.32022351       0.25200793       0.03304233 
O       1.70866687      -0.34259666      -4.50431383       0.13928596      -1.27903986       1.08691363 
O       1.61231091      -1.31334065      -9.69511400       0.40700894      -0.25151331       0.04813406 
O       6.92021722      -0.33033896      -4.52648865       0.10931880      -0.82792508       0.51386423 
O       6.74101445      -1.41638129      -9.75865063       1.37083924      -0.42916919      -0.38761453 
O       1.57815635       4.72246757      -4.45560812       1.14176316      -0.63317661      -0.44355179 
O       1.71240073       3.88777424      -9.68465080       0.13177204      -0.37096295      -0.63302042 
O       6.95345380       4.73239082      -4.54386827      -1.12238675       0.66121971       0.23032375 
O       6.94516712       3.78128486      -9.68122876      -0.90855993       0.95439930       0.13195723 
O       4.32795478       4.24002973      -3.32672730      -0.71096777      -0.23401912      -1.32606654 
O       4.19410419       3.35250016      -8.60938890       0.21132528       0.18788412      -0.54363871 
O       9.37898109       4.34826199      -3.41437925       0.36459876      -0.60944659       0.28196231 
O       9.59512645       3.26176732      -8.65471541      -0.06626205       0.66883317      -0.04478459 
O       4.30711995       9.45727368      -3.39952502      -0.65273249      -1.29659717       0.17959259 
O       4.38024311       8.40955095      -8.64161561      -0.95104443       0.20001182      -0.10005489 
O       9.46225546       9.33597512      -3.31012094      -0.20470287       0.04328393      -0.88950577 
O       9.45212680       8.50623498      -8.60811003      -0.28592716      -0.31561145       0.18101643 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002956509787063796 0.0007024779386919388 -0.002497899986832713 0.0007024779386919388 0.0042444571414382735 -0.0007682705102670788 -0.002497899986832713 -0.0007682705102670788 0.002832182102204347" pbc="T T T" energy=-961.87629265 free_energy=-961.87629265 config_type=crystal 
Hf       2.77675823       2.98682590      -4.09438590      -0.15622018       0.93458499      -1.22976982 
Hf       2.85551978       2.12134426      -9.36529283      -0.34267982      -0.17797239      -1.26195337 
Hf       7.98846900       3.09305157      -4.09141371       1.29605360      -0.65803363      -0.14634507 
Hf       8.04271538       2.14874769      -9.42611106      -0.03332960       0.36320064      -0.01141512 
Hf       2.75897119       8.11013724      -4.20853881       1.00060696       0.23660133       0.43997850 
Hf       2.82184463       7.27344720      -9.40280208      -0.31882862      -0.47981161       0.22330098 
Hf       8.05372546       8.11911281      -4.17702193      -0.54656770       0.82375991       0.50197961 
Hf       8.02308594       7.19674442      -9.41295331      -0.54872850       0.33514224      -0.20601253 
Hf       0.24427334       0.77715478      -3.70882993      -0.39284040      -0.66098755      -0.06069621 
Hf       0.22698711      -0.08142064      -8.91857894       0.49605904      -1.19840448      -0.46201345 
Hf       5.35345123       0.79696490      -3.74264465       0.62818764      -1.01780325       0.58884229 
Hf       5.45640534      -0.04675888      -8.97464660      -0.31619640      -1.01167878      -0.21836107 
Hf       0.25142789       5.96049509      -3.73449452       0.03677074      -0.42591674       1.32268480 
Hf       0.25256459       5.03590267      -9.03478608      -1.05361839      -0.07453330       0.94014525 
Hf       5.44498162       5.96245773      -3.68604954      -0.75071374       0.31072587      -0.42332678 
Hf       5.39041595       5.06221905      -8.99299344      -0.20111905      -0.85964639      -0.01544978 
Hf       2.39407598       1.27692764      -1.09430944      -0.24589359      -0.96118805       0.42344487 
Hf       2.39651645       0.30113325      -6.32080467       0.00989683      -0.14993395      -0.13725945 
Hf       7.54828696       1.17864889      -1.04926644       0.12622335      -0.48113334      -0.04375828 
Hf       7.56449250       0.41435382      -6.33960996       0.29443004      -0.76099331       1.14931565 
Hf       2.39000714       6.28353968      -1.08887454      -0.65381531       0.39660110      -0.11713177 
Hf       2.35967548       5.50111571      -6.37631969       0.65095478      -0.57688454       0.51546012 
Hf       7.53196350       6.38936178      -1.10315649       1.00869861       0.29803044       0.78612924 
Hf       7.62315922       5.45518630      -6.35531652      -1.19194142       0.02964364      -0.21888757 
Hf       5.04199819       3.41321855      -1.60326029      -0.91945905       0.48355727       1.32749805 
Hf       4.99141865       2.60541109      -6.75589515      -1.91611070      -0.17951370      -0.55819227 
Hf      10.13998074       3.39799968      -1.53074399      -0.07931712       1.35899356       0.69322882 
Hf      10.22042635       2.52032317      -6.77210753      -0.60497651       1.16033658      -0.31126282 
Hf       4.87597530       8.63415835      -1.54451792       0.65836088       0.10531072      -0.13597478 
Hf       5.06116672       7.75634956      -6.86236258      -1.03029290      -1.30740544       0.76696886 
Hf      10.14882964       8.60524908      -1.52292903      -0.21055018      -0.10732359      -0.10048527 
Hf      10.13953874       7.70065628      -6.78721556       0.49199815       0.69205773      -0.59612485 
O       1.37680209       1.48552584      -7.97148540      -0.49498579      -0.24608187       0.14793732 
O       6.54328952       2.34063509      -2.69639839      -0.16133401       0.30324531      -0.59281362 
O       6.51024059       1.48614547      -7.94964155       0.17520034      -0.02350375      -0.05460994 
O       1.32995973       7.50720709      -2.66820075      -0.09887705      -0.16340044      -0.46647266 
O       1.35457039       6.52094164      -7.95119638      -0.64385721       0.90483679      -0.15996485 
O       6.52506370       7.58962972      -2.76796880      -0.49500987      -0.82032530       0.57021032 
O       6.48987717       6.55455451      -7.99041386       0.57984648       0.37533931       0.30372326 
O       3.83918117       1.41172350      -5.13329792       0.38532304      -0.09214503       0.14915526 
O       4.00326346       0.58626267     -10.45755140      -0.53018745      -0.47254273       0.53381055 
O       9.13106772       1.48262224      -5.03198523      -0.51819017       0.07150996      -0.81324749 
O       9.20436242       0.58439705     -10.31129557      -1.31808693      -0.18404332      -0.65477624 
O       4.02615276       6.64654710      -5.17235348      -0.18058224      -0.67078171       0.16037068 
O       3.93022187       5.62736579     -10.40210736      -0.50400548       0.37070791      -0.65087029 
O       9.19946069       6.52583942      -5.18397028      -0.67963780       0.11317017      -0.33320618 
O       9.08894224       5.66681599     -10.37728871       0.46570225      -0.27833757      -0.24146195 
O       3.74158180       1.87796884      -2.59244470       0.51894906       0.10592103       0.76975305 
O       3.89192677       1.02229023      -7.78831172      -0.09414690      -0.70748685       0.24818202 
O       9.06985859       1.85809870      -2.44247692      -0.22723260       0.20413503      -0.27547395 
O       8.99680900       1.01831198      -7.77606762       0.62054950      -0.30684557       0.85095398 
O       3.80014275       7.01594862      -2.57310756       0.71711497       0.11161817       0.39173581 
O       3.81137664       6.10353737      -7.81578398       0.52387187       0.15436542       0.30637238 
O       9.06211336       6.91311618      -2.47369274      -0.14417348       0.87816151      -0.68341122 
O       8.99745663       6.09843143      -7.83840151       0.35685368       0.29458544       1.05728807 
O       1.16425479       2.64548519      -0.17103867       1.13464890       0.86732804       0.29051086 
O       1.26357905       1.91236738      -5.35415452      -0.09331494      -0.34671726       0.66709600 
O       6.43624289       2.76003877      -0.07559151       0.83358005       0.23697973      -0.10619431 
O       6.31946189       1.91769261      -5.35477868       1.24449620      -0.21870872       0.43855922 
O       1.17307927       8.06386716      -0.03247579       0.71168996      -0.53593856      -0.52063886 
O       1.23660314       7.14037165      -5.36659173       0.26952608      -0.71702708      -0.13746444 
O       6.41561680       7.90682856      -0.06417506      -0.23433588       0.45236511      -0.64674549 
O       6.54531480       7.07461949      -5.32879676      -0.08633943      -0.47167927      -0.71794721 
O       3.45736640       4.61554226      -0.79827642       0.22103906       0.02151821      -0.20036709 
O       3.38738340       3.74141201      -6.00480825       0.94038492      -0.24083378      -0.45149966 
O       8.69684129       4.75025449      -0.74967457       0.27888047      -1.33335895      -0.27527141 
O       8.61275648       3.72936580      -6.06096874       0.32860010      -0.31803684       0.09020675 
O       3.40781186       9.78696533      -0.80517877       0.05905914      -0.22118014      -0.01158506 
O       3.46320772       8.84236841      -6.12441517      -0.05758555       0.81808165       0.13592277 
O       8.49178882       9.64983620      -0.85634528       0.73155467       0.51548474      -0.40841106 
O       8.74798346       8.99793958      -5.99800419      -0.32729354      -0.53610592      -0.49638704 
O       0.83489252       0.11438842      -1.78337452       0.03323289      -0.21043199       0.09677588 
O       0.84138074      -0.84548537      -6.95486842      -0.43095420       0.08816791      -1.15214170 
O       5.95083043       0.12711311      -1.74471189      -0.21568061      -0.33110439      -0.11977455 
O       6.16251784      -0.89639574      -7.05878872       0.22563925       0.95600486      -0.16622704 
O       0.82660698       5.14538385      -1.79260653       0.95496642       0.18837908      -0.24491369 
O       0.89717818       4.24893434      -7.06780400      -0.42395292      -0.17577339      -0.07728477 
O       6.19742060       5.11899556      -1.84100110      -1.06238708      -0.16559394      -0.46340593 
O       5.95962987       4.26796865      -7.09027893       1.36703719       1.05346566       0.49055702 
O       1.57194690      -0.58051077      -4.49835023       0.37441622       1.55211931       0.12080172 
O       1.89402298      -1.26574960      -9.51180277      -1.21795450       1.15701560      -0.32776151 
O       6.93561335      -0.42826895      -4.29917639      -0.48414333       0.85733072      -1.09280152 
O       6.99469547      -1.33579463      -9.66714989      -0.81894832       0.84768135       0.38442416 
O       1.74840299       4.78929994      -4.45560623      -0.34847877      -0.01420442       0.50685424 
O       1.62058242       3.81583400      -9.74816054       1.12378450      -0.68174476      -0.07851412 
O       6.88095219       4.72141255      -4.42441508      -0.05606055       0.17371204      -0.41448182 
O       6.88351381       3.78872679      -9.67983418      -0.48610439       0.56747413      -0.03213873 
O       4.25178716       4.22109292      -3.28396492       0.32847317       0.59665433      -1.38433337 
O       4.23937221       3.31654204      -8.76597446       0.84393684       0.61873197       0.95555613 
O       9.52296284       4.28269314      -3.36437105      -1.16525166      -1.29987399      -0.90207844 
O       9.53146688       3.29699698      -8.71625808       0.24971311       0.03432080       0.77714629 
O       4.18406862       9.47562596      -3.39320156      -0.11713391      -1.11037422      -0.19652207 
O       4.37381795       8.41295563      -8.73166548       0.96645850       0.76444476       0.22657996 
O       9.49046189       9.29911186      -3.40536261       0.63791236       0.42344202       0.36632678 
O       9.56083682       8.44205465      -8.80753126       0.28164942      -0.21835418       1.03155704 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006809539939830335 0.00023367053615665892 0.0005084572633404389 0.00023367053615665892 -0.002829631047628379 0.0014719810596302517 0.0005084572633404389 0.0014719810596302517 -0.0007656298088955363" pbc="T T T" energy=-961.66778036 free_energy=-961.66778036 config_type=crystal 
Hf       2.75396431       2.87433421      -4.15452894       0.15753225       1.89305352       0.12662551 
Hf       2.85781438       2.16389333      -9.34044761      -0.20999773      -0.65183092      -1.41492887 
Hf       7.96286649       3.05334942      -4.15765717       0.86689765      -0.13125122       0.66488759 
Hf       8.07790118       2.17325707      -9.40794988      -0.35009855      -0.98014911      -0.29530737 
Hf       2.77872044       8.16960438      -4.15623634       0.37890061      -0.27876570       0.23907677 
Hf       2.90796740       7.23427752      -9.40631148      -1.61365620      -0.03052044      -0.93030919 
Hf       7.98585709       8.14307057      -4.16438112      -0.88382352       0.12925787      -0.25303796 
Hf       8.06312307       7.28776815      -9.40957999      -1.21523611      -0.98618629      -0.44677407 
Hf       0.21622048       0.80778213      -3.68768218      -0.63440915      -0.39163901      -0.33258427 
Hf       0.22633003      -0.16677652      -8.99966582       0.12102644       0.70035121       0.53788915 
Hf       5.43579764       0.79112236      -3.72124078      -0.22611482       0.01230210       0.23229611 
Hf       5.48839685      -0.08142062      -8.85447917      -0.24981062       0.09102674      -1.91516300 
Hf       0.25976465       5.94121708      -3.67446026      -0.59516749      -1.00230230      -0.87217918 
Hf       0.19364736       5.06694169      -8.96743480       1.72660033      -0.27235384       0.58399836 
Hf       5.35292205       5.86208552      -3.77192679       0.72641592       1.19935014      -0.25322606 
Hf       5.43657723       5.05796947      -9.00222660       0.00410094      -0.05102914      -0.30717133 
Hf       2.39420295       1.20719181      -1.01217207      -0.20681330       0.05438399      -0.49869660 
Hf       2.35312793       0.27530022      -6.32034600      -0.71518655       1.31102908      -0.77220870 
Hf       7.60793972       1.21604811      -1.08138952      -1.10841966       0.55196283       0.40787624 
Hf       7.57692178       0.38507294      -6.34208411       0.90641697      -1.49999007       0.69612722 
Hf       2.43783263       6.42149075      -1.09026072      -0.72824473      -0.86949909       0.90891021 
Hf       2.39313960       5.45749425      -6.37494474      -0.90266263      -0.03365760       0.66310991 
Hf       7.59372674       6.38154313      -1.09860197      -1.43158702      -0.17917487       0.15596775 
Hf       7.50699541       5.48162161      -6.36807074       1.13082801       0.53726879       0.48109697 
Hf       4.97849894       3.49251856      -1.56793759       0.20091223      -0.14504638       0.55485490 
Hf       5.02420003       2.56791520      -6.79417482      -0.53848777       1.06776950       0.11739170 
Hf      10.24585847       3.47541252      -1.53378601      -1.11037876      -0.36852649       0.33107841 
Hf      10.11634687       2.56493486      -6.75140972       0.77346541      -0.43442492      -0.13837061 
Hf       4.95640429       8.56621021      -1.64756909       0.70086640       0.95232154       0.85121432 
Hf       4.92311171       7.73859191      -6.82732821       0.61989900      -0.72060903       0.58507207 
Hf      10.14722485       8.59902675      -1.55085009       0.42401662       0.31748183       0.09114472 
Hf      10.11460400       7.68041962      -6.75045091      -0.10557615       0.17758655      -0.11851535 
O       1.35471752       1.44420052      -7.99859423       0.38728641      -0.13920799       0.18289883 
O       6.44402594       2.40232251      -2.73468772       0.36889639       0.17681980      -0.55764892 
O       6.64430522       1.50179878      -7.85933138      -0.59321987      -0.06465536      -1.20330825 
O       1.33622965       7.48225454      -2.68626669      -0.44531080       0.22297041      -0.69999108 
O       1.37951832       6.67115363      -8.01949239      -0.64832513      -0.87080887       0.42883966 
O       6.38137963       7.56818031      -2.88758307       0.41922171      -0.02796242       0.30262687 
O       6.57923038       6.66115187      -8.03702795      -0.82701966      -0.06947676      -0.18213651 
O       3.85339842       1.41071142      -5.14626667       0.57245950       0.12858124      -0.00647310 
O       3.98326048       0.55246013     -10.35524126      -0.08506581      -0.04469940      -0.08155810 
O       9.05528195       1.37007421      -5.14866857       0.24591361       0.36197534       0.44409502 
O       9.20699999       0.56921484     -10.36672186      -0.31808138       0.08849496      -0.07845828 
O       3.86398789       6.65189847      -5.09452861       0.00151164      -0.41997182      -0.88805319 
O       3.96360776       5.64386245     -10.40420381      -0.12798400       0.13458579       0.11240422 
O       9.12302376       6.54194748      -5.10230912       0.24162306       0.12571442       0.30810771 
O       9.21043118       5.67868692     -10.37935207      -0.80773012       0.12443099      -0.39041619 
O       3.73853869       1.97384749      -2.50621022       0.00678806      -0.37271595       0.13146622 
O       3.92392722       1.16240286      -7.77434636      -0.49294174      -2.11732141       0.77834625 
O       8.94786375       1.91746938      -2.44333041       1.38621672       0.23399474      -1.39007072 
O       9.07885389       0.93409626      -7.77937467      -0.24670063       0.50466700       0.04287046 
O       3.80156425       7.04563681      -2.48219927       0.39086824       0.09720308      -1.04149839 
O       3.85565176       6.14520206      -7.82103816       0.41430808      -0.02303369       0.50371309 
O       8.88509712       7.03592423      -2.50900873       1.63864635       0.29669410      -0.12234838 
O       8.99783972       6.04779634      -7.71687047       1.17048545       0.50380788      -0.69520716 
O       1.28359211       2.79456772      -0.10904080       0.41842285      -0.23804526      -0.36258306 
O       1.16779082       1.93211852      -5.29340192       0.53404535      -0.22673100       0.15865717 
O       6.53658996       2.74516577      -0.03473163      -0.46132145       0.79973289      -0.04192732 
O       6.44686883       1.85349168      -5.40895235      -0.50948504       1.24271705       0.94224615 
O       1.31661974       7.95436773      -0.13684761      -0.61454747      -0.06133609       0.17701807 
O       1.21004191       7.09528763      -5.41071865       0.55682646      -0.33745664       0.85044848 
O       6.38578928       7.98031900      -0.19738884       1.01739580      -0.54102684       0.25563704 
O       6.39045234       6.97986267      -5.46100207      -0.38447238       0.39903258       0.27095511 
O       3.54709325       4.69117640      -0.90701607      -0.45870423       0.13524237       0.94898103 
O       3.49424177       3.79067724      -6.16489471      -0.07698451      -0.39359858       0.61663709 
O       8.62286540       4.64908646      -0.82515046       0.55942323      -0.07258383       0.31364959 
O       8.70598703       3.74881138      -5.98649849      -0.84867467       0.23364201      -0.32763535 
O       3.39550321       9.73143986      -0.83984172       0.81967788      -0.04056604      -0.33657244 
O       3.40233753       8.90852874      -6.12318944       0.20873725      -0.53605394       0.02745269 
O       8.70547666       9.82737236      -0.83161662       0.25585602      -0.80053737       0.26847240 
O       8.51410811       8.74839416      -6.06731320       0.32017301       0.94091884      -0.60301953 
O       0.80370199       0.05378358      -1.85823529       0.77343843       0.33995508       0.40225150 
O       0.68116758      -0.74919760      -7.00251871       0.61136767      -0.82259020       0.21295350 
O       6.11768060       0.07732297      -1.84958522      -0.78650813      -0.63609396      -0.14639056 
O       6.00363859      -0.87977398      -6.94500543       0.25590733       0.96220532      -1.11717541 
O       0.93031595       5.13260619      -1.70757584      -0.25496173       0.74268060      -0.81406907 
O       0.85060659       4.27196203      -6.97023939       0.31426903       0.68340137      -0.63936177 
O       6.16523542       5.23821129      -1.97257511      -0.50533980      -0.85832836       1.11492205 
O       6.03636293       4.39493604      -7.07168229      -0.60973050      -1.28180444      -0.22640961 
O       1.76142806      -0.42093613      -4.44141018      -1.08676053       0.94894061       0.13820158 
O       1.65219873      -1.43604425      -9.71834760      -0.07145561       0.83132164       0.21095818 
O       6.84813226      -0.38019924      -4.43918185       0.87945215      -0.62089815      -0.24212164 
O       6.95045318      -1.36889908      -9.71365971      -0.85600565       0.85465268       0.91063995 
O       1.67837957       4.69229299      -4.36461236       0.57033773       0.26699204      -0.62776123 
O       1.77054128       3.82064213      -9.65789457      -0.52775129       0.91338168       0.30602105 
O       6.91790402       4.75511367      -4.46163084      -0.15093973      -0.53631942      -0.10620756 
O       6.89457293       3.84882841      -9.67377261       0.82032557      -0.08410456      -0.30643529 
O       4.28003276       4.23731032      -3.46310868      -0.45110309      -1.06516471      -0.13247331 
O       4.45652294       3.22716237      -8.78319416       0.44508034       1.36826150       0.33319637 
O       9.53651823       4.22284591      -3.43177011      -0.22866998      -0.41148801       0.39754879 
O       9.55937126       3.33022242      -8.62753454      -0.48907745      -0.08195430      -0.51416362 
O       4.29410226       9.41122604      -3.47878007      -0.56006645      -0.58952659       0.07312055 
O       4.23329005       8.59413704      -8.74141632       0.79693191      -0.41831666       0.91584975 
O       9.46612907       9.35272536      -3.46520670       0.26946928      -0.27985164       0.29881499 
O       9.48788489       8.40070849      -8.71901501       0.98413595       0.49517044       0.79659272 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006029213137048917 0.0003876241370254802 0.0020266265141097237 0.0003876241370254802 -0.002952527242369807 0.00016882134371985964 0.0020266265141097237 0.00016882134371985964 -0.00525748375094502" pbc="T T T" energy=-961.72586457 free_energy=-961.72586457 config_type=crystal 
Hf       2.86220376       3.07817174      -4.19293798      -0.46576906      -1.94823819      -0.50122062 
Hf       2.83253739       2.10330698      -9.48262668       0.02426534       0.05879976       1.17918140 
Hf       8.00512018       2.97570061      -4.19146076       1.05020979       0.42068318      -0.05272562 
Hf       8.01696948       2.10916005      -9.44148361      -0.65546604       0.58656678       0.20005542 
Hf       2.90723031       8.16802936      -4.13715930      -1.07342802      -0.13936181      -0.33157676 
Hf       2.72486214       7.22828203      -9.37023388       0.58916423       0.94471889      -0.62411273 
Hf       8.05653157       8.11709315      -4.14641073      -0.80493673       0.47694337      -0.27743609 
Hf       7.93714417       7.31398759      -9.28617575       1.06540013       0.33424774      -0.56112760 
Hf       0.24941747       0.79390858      -3.72829497       0.82367027       0.12219607      -0.70801164 
Hf       0.24476792      -0.08895600      -9.00881561      -0.48416931      -0.40737452       1.03079914 
Hf       5.48142330       0.80598613      -3.67120382      -0.55739718      -0.16735229      -1.16069327 
Hf       5.39975994      -0.13288017      -8.89463876      -0.35963807       0.55688275      -0.34233373 
Hf       0.29183980       5.95532350      -3.67393050      -0.69679612      -0.44823813      -0.15574245 
Hf       0.22762975       4.96773167      -8.96675415      -0.79404882       1.36729737       0.04683008 
Hf       5.47979711       5.81887546      -3.70675197       0.20087436       1.89511568      -0.74555724 
Hf       5.36096570       5.03845717      -9.07793099       0.45187709      -0.50231928       1.67767768 
Hf       2.30525631       1.30266198      -1.08586507       1.24497833      -1.09844058      -0.64401907 
Hf       2.42244418       0.26741205      -6.40766183      -1.32214233       0.37066456       1.12953896 
Hf       7.56699053       1.13658417      -1.05534418       0.27856789       1.82918718      -0.06091662 
Hf       7.62089112       0.39000576      -6.36066909      -0.70762924      -0.74606469       0.10604747 
Hf       2.38832401       6.33198768      -1.06608008      -0.95699386       1.34573640       0.05292089 
Hf       2.34748995       5.53158825      -6.32391431       0.46126115      -0.53347149      -0.77165234 
Hf       7.56574609       6.50491858      -1.03131149       0.77537434      -0.57984857      -0.43331500 
Hf       7.53855313       5.44826439      -6.34424996      -0.88009651      -0.08073091      -0.39457304 
Hf       5.01728383       3.41055767      -1.56441160       0.21164871       0.72607743       1.10385722 
Hf       4.93506345       2.59865699      -6.76472593       0.82728861      -0.21898606      -0.59662468 
Hf      10.06051815       3.51366872      -1.56364516       1.09080269       0.23626402       0.42139176 
Hf      10.20312246       2.60923465      -6.83340627      -0.06035386      -0.82875473       0.67758819 
Hf       4.93608555       8.62563151      -1.54601804      -0.80860995       0.78521546       0.17250825 
Hf       4.93694098       7.65054889      -6.79902084       0.85838584      -0.08428249      -0.05464499 
Hf      10.23850661       8.60110449      -1.59474831      -0.69949327       0.10716480       1.71404741 
Hf      10.11407971       7.67113421      -6.71229357       0.65691884       0.97157584      -0.86197040 
O       1.35628095       1.43224483      -8.01364755       0.37613152       0.23419241      -0.33987143 
O       6.56572581       2.34032702      -2.74280016       0.19627378       0.66098938       0.13150232 
O       6.52668105       1.61887261      -8.03700180      -0.05298043      -1.32092526       0.64371682 
O       1.36957367       7.55445561      -2.68113610      -0.12045620      -0.39306472      -0.14316628 
O       1.25870195       6.60929442      -7.95947273      -0.03959981      -0.04139018       0.16694455 
O       6.62339028       7.52832804      -2.69260988      -0.53813201       0.34194727      -0.46190429 
O       6.36788025       6.61503855      -7.99098530       1.14820712      -0.04889812      -0.73268013 
O       4.07780552       1.52460739      -5.07016347      -1.04457168      -0.13772531      -0.31891730 
O       3.85684903       0.48989569     -10.33927764       0.51546357       0.68600772      -0.37787312 
O       9.17096074       1.42688864      -5.18914014      -0.25003002       0.11771275       0.60376544 
O       9.12718300       0.60704004     -10.36674874      -0.17151390      -0.31648299      -0.35205718 
O       3.98294285       6.48822009      -5.15093092      -0.46862863       0.42715121       0.26772704 
O       3.90776293       5.69362296     -10.34246404      -0.60215298      -0.04721261      -0.88463335 
O       9.13241129       6.57410186      -5.10744811       0.36056806      -0.14471340       0.46236498 
O       9.08768938       5.67316759     -10.28449105      -0.37254013       0.81964027      -0.19242050 
O       3.89056222       1.98057846      -2.48812611      -1.11993413      -0.61418758       0.28679765 
O       3.95458597       0.88999554      -7.67522063      -0.62990120       0.72419706      -0.22036938 
O       9.09342887       1.99136963      -2.50523471      -0.66921630      -1.32114591      -0.59500183 
O       9.03350399       1.04977739      -7.76242316       0.34191963      -0.19200065      -0.30491682 
O       3.79002790       7.09595853      -2.46318103       1.00401554      -0.48923933      -0.54313433 
O       3.78162839       6.04663425      -7.79026882      -0.11738307       0.69912325       0.09073768 
O       9.15632299       6.93898748      -2.41216624      -0.23811394       0.54503851      -0.59919139 
O       8.91629346       6.18267677      -7.66254369       0.67461771       0.29800284      -0.80616658 
O       1.21056371       2.78587560      -0.14486996       0.02133443       0.82978696      -0.56732500 
O       1.30833348       1.89617822      -5.41116136      -0.05899577      -0.20688934       0.50446887 
O       6.42930570       2.77446037      -0.15458415      -0.15828257       0.67062359       0.03658150 
O       6.47821531       1.92770635      -5.31696743       0.57736581       0.23138346      -0.70711215 
O       1.22117542       7.96321226      -0.05782893       0.32972163      -0.24569471      -0.29015436 
O       1.27362148       7.07763192      -5.31311750      -0.09106112       0.00143948       0.05351306 
O       6.38333665       8.11218175      -0.16057054       0.52262342      -0.66424288       0.89048923 
O       6.46837394       7.05287776      -5.34996206       0.00695114      -0.01593463       0.00226792 
O       3.47421302       4.72181867      -0.78445985       1.15280012      -1.41438891      -0.54712228 
O       3.36500260       3.70423862      -6.19900565       0.22608964       0.27440407       0.73054330 
O       8.71258768       4.76981002      -0.81050487      -0.50841563      -0.32857567       0.22073114 
O       8.68361496       3.75855184      -6.10398166      -0.15514598      -0.02834616       0.36766719 
O       3.39297494       9.78546784      -0.81744755       0.16216446      -0.22873176      -0.19323436 
O       3.51411622       8.87550821      -6.05371357      -0.19588748      -0.12378333       0.13918505 
O       8.62057715       9.81224067      -0.73857597       0.89184749      -1.22440735      -0.06899920 
O       8.66505655       8.89786079      -6.05123617      -0.04160242       0.36777286       0.40931873 
O       0.76630545       0.13415432      -1.79473290       0.38416859       0.02105432       0.20759200 
O       0.90138552      -0.91318787      -7.11102399       0.65294096       0.52087762       0.68541804 
O       6.00555747       0.11332299      -1.74053990      -0.39699815      -0.75644256      -0.39070230 
O       6.15610619      -0.96170069      -7.11204706       0.00111175       0.94083492       0.18967757 
O       0.96661185       5.08865781      -1.82744526       0.24546418       0.72874409      -0.62513916 
O       0.97798797       4.23410709      -7.11290118      -0.83173595       0.29897070      -0.25055021 
O       6.08852117       5.25175851      -1.88926074      -0.08789143      -1.05126363       1.15131538 
O       5.96258736       4.32021146      -7.11085818       0.75732928       0.27505639       0.56478564 
O       1.77227064      -0.42587207      -4.38034528      -0.31870494       0.35564462      -0.49750590 
O       1.76145892      -1.21704459      -9.66926555      -0.20474295      -0.92793878      -0.01174335 
O       6.94904093      -0.38526002      -4.45172259       0.22606283      -0.23633400       0.39143752 
O       6.94379706      -1.15437286      -9.64379754       0.74025041      -1.62913954       0.09601108 
O       1.72547805       4.70754682      -4.52338362      -0.24541774       0.39077938       0.91451971 
O       1.59289633       3.77992327      -9.70168401       1.21599916      -0.56793055      -0.70699090 
O       6.97842967       4.74526745      -4.48736011      -0.14249607      -0.73087649       0.69657884 
O       6.91593984       3.89555895      -9.74015017      -0.38889846       0.14160066      -0.03692634 
O       4.42090833       4.14160233      -3.48215801      -0.15216697       0.54744251      -0.08058558 
O       4.38936069       3.24940517      -8.79624450      -0.96787021      -0.46530017       0.27777620 
O       9.57607844       4.23380228      -3.48638575      -0.52776129      -0.20111832      -0.01987508 
O       9.41754800       3.38254302      -8.67489543       0.33294255      -0.44394447       0.29460856 
O       4.28696434       9.42263544      -3.51363015       1.11501912      -0.17578669       1.16104700 
O       4.27410229       8.43399136      -8.69439691       0.05170529      -0.13507918       0.29385623 
O       9.57241846       9.26801260      -3.40942854      -0.33038027       0.55005246      -0.47734009 
O       9.51126243       8.53833160      -8.58396205      -1.17291976      -1.18309531      -0.74400048 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002515944164749605 -0.00018028435582574692 0.0006967746036904348 -0.00018028435582574692 -0.009673613351230348 0.0035217358852625198 0.0006967746036904348 0.0035217358852625198 -0.0078086831236827406" pbc="T T T" energy=-961.41356543 free_energy=-961.41356543 config_type=crystal 
Hf       2.85611910       3.03636770      -4.20620957      -1.34415528      -1.31741321       0.97608784 
Hf       2.84544608       2.06704532      -9.43165758      -0.01393643       0.11041825       0.51060003 
Hf       7.98422457       2.99356248      -4.19384240       0.98162374      -0.36009887       0.38159080 
Hf       7.98388439       2.14205127      -9.34767117       0.79902727      -0.97532425      -0.33122126 
Hf       2.89296797       8.20131357      -4.15257195      -1.28389811       0.23285214       0.17415594 
Hf       2.79894182       7.27742491      -9.44974337      -0.24748124       0.28804716       0.54773937 
Hf       8.01103163       8.24371685      -4.11855404      -0.35745627      -0.92447530      -0.72845393 
Hf       7.98212105       7.19178555      -9.38125120       1.14233618       0.03629422       0.65864657 
Hf       0.18414034       0.84263330      -3.68744486       0.47589091       0.56002575      -1.78115724 
Hf       0.21889702      -0.12691839      -9.06636018      -1.48117161       0.68755823       2.29678115 
Hf       5.41012759       0.83527050      -3.68374992       0.35194562      -0.89752426      -0.22970566 
Hf       5.41651190      -0.21186749      -9.00423536       0.47640896       0.57716512       0.38794880 
Hf       0.20510307       5.90979083      -3.66651132       0.41819264       0.25268659      -0.64943741 
Hf       0.29356313       5.05619685      -8.96598005      -1.26819049      -0.60629757      -0.20812717 
Hf       5.39142454       5.85139960      -3.76012991       1.36835102       1.09757662       0.32189260 
Hf       5.34480671       5.00678373      -8.96709469       1.02935648       0.43964819       0.46147467 
Hf       2.24745655       1.16845335      -1.14405407       1.07649531       1.35944792      -0.19419879 
Hf       2.39636091       0.37522119      -6.35940450      -0.78236352      -0.76913570       0.97276047 
Hf       7.64035755       1.21438652      -1.09177879      -0.63289860      -0.44387495       0.12011933 
Hf       7.58306079       0.32174980      -6.39652386      -0.85365852      -0.14116342       0.34757810 
Hf       2.44509430       6.38530886      -1.10042928      -0.44894467      -0.08638589       0.17639811 
Hf       2.33107120       5.45561039      -6.33843368       0.10810217       1.21340547       0.11470477 
Hf       7.59843749       6.34480290      -1.06848031      -0.01685077       0.14433303      -0.03986851 
Hf       7.58475731       5.52560872      -6.29890454       0.14189179       0.27590747      -0.64168391 
Hf       4.98553670       3.50640878      -1.54553627       0.73230327      -1.15452001       1.07486089 
Hf       4.95979236       2.58704340      -6.80625690       0.80396144      -0.28949744       0.39816534 
Hf      10.13892197       3.48236244      -1.50351786       1.12077669       0.17675732      -0.10140828 
Hf      10.17886839       2.64571239      -6.75217511       0.05159317      -1.63595943      -0.77289874 
Hf       5.01991611       8.57988307      -1.54465642      -0.07600905       0.53415925       0.06513139 
Hf       4.91996449       7.65634088      -6.76913387       0.57326128       0.44004033      -0.05400445 
Hf      10.20309732       8.59767521      -1.55799868      -0.27475190       0.23741975       0.32884569 
Hf      10.19333885       7.76217645      -6.71556366      -1.19814006      -0.40928517      -1.02454514 
O       1.42125074       1.36482820      -7.97687640      -0.37783504       0.47600888      -0.69071747 
O       6.59840266       2.34037610      -2.73439140      -0.67190705       0.02114362      -0.14382964 
O       6.50026290       1.48624114      -7.98129483      -0.00306935      -0.29737707      -0.28757800 
O       1.39640588       7.53419941      -2.65791721       0.23296268      -0.42496530      -0.96962158 
O       1.29098906       6.58210270      -7.98435040       0.38456341       0.54675524      -0.12856877 
O       6.52083641       7.35296276      -2.70318051       0.42397192       1.50927666      -0.41961049 
O       6.45363562       6.62687625      -7.99278867       0.07403153      -0.36548544      -0.00951575 
O       3.93544029       1.33335740      -5.07291231      -0.62291136       1.30009290      -0.38991720 
O       3.96152326       0.52414944     -10.32873789      -0.34174484       0.32737222      -0.21825824 
O       9.04941798       1.42803587      -5.15610887       0.51742335       0.17630644       0.07076132 
O       9.19434316       2.34381032      -0.00965119      -0.61795922      -0.68645157       1.24724047 
O       3.89754730       6.54974309      -5.12816041       0.05983165       0.03851233      -0.02505854 
O       3.90230990       5.76459422     -10.35701019      -0.07381129      -0.40833384      -0.56082827 
O       9.16323742       6.66399977      -5.14933284      -0.50673348      -0.69714988       1.29350987 
O       9.10877441       5.59863369     -10.27545193       0.29359544       0.34351684      -0.68249587 
O       3.72215787       1.98486192      -2.42993502       0.49722113      -0.21760524      -0.70998927 
O       3.91944848       0.98909314      -7.69364653      -0.48858318       0.07937881      -0.43647269 
O       9.07739758       1.96656526      -2.56296473      -0.48156657      -1.00546206       0.51288624 
O       9.01664044       0.97624464      -7.71540542       0.58934328       0.22409295      -0.78050666 
O       4.02017471       6.99627730      -2.52241304      -1.54539078      -0.25098989       0.37075536 
O       3.78708059       6.11068900      -7.79224114       0.32825205      -0.14884901       0.21147510 
O       9.03010429       7.20312963      -2.49886789       0.25064717      -1.59244865       0.15980067 
O       9.02062647       6.14453821      -7.67821015       0.20837789      -0.19394016      -0.40455375 
O       1.30996216       2.89233610      -0.15011920       0.17363517      -0.39240229      -0.17955086 
O       1.27115056       1.98613863      -5.35133868       0.02378605      -0.44863080       0.00152845 
O       6.53386511       2.72761211      -0.07071398      -0.17619895       0.17031344      -0.58849778 
O       6.40876720       1.85930317      -5.41557076       0.19260741       0.82019517       0.68935425 
O       1.31611207       8.00154200      -0.20035620      -0.41576073      -0.14779855       0.85965648 
O       1.20529147       7.06828408      -5.34233265       1.05135169      -0.40938496       0.37094722 
O       6.34809973       7.81688374      -0.10206716       1.03597442       0.33420106      -0.03462577 
O       6.43528573       7.06162902      -5.33764792      -0.29072168      -0.29198074      -0.14002741 
O       3.68657132       4.73635477      -0.69106744      -0.76015583       0.52558149      -0.28756823 
O       3.56113272       3.87368187      -5.95964020       0.63198362      -1.04466961      -0.47260019 
O       8.80442905       4.75079656      -0.72438601      -0.52673499      -0.12195814       0.03825105 
O       8.79006270       3.80744628      -6.01803301      -0.69869217       0.76041124       0.30062680 
O       3.50079565       9.87378236      -0.80817122      -0.36882044      -0.70678797       0.12080992 
O       3.45730229       8.91424758      -5.98639590       0.19052153      -0.04268613      -0.47858729 
O       8.69637352       9.71035071      -0.77671567      -0.72511661       0.54363250      -0.41604133 
O       8.54972656       8.86609186      -6.10308596       0.49936670      -0.08326342       0.12562863 
O       0.67281711       0.13196935      -1.83941079       0.95476735      -0.14331657       0.99103715 
O       0.83924917      -0.86638190      -7.04558886       0.78446402       0.82018115      -0.12008969 
O       5.96095308       0.10345277      -1.76717611       1.05803897      -0.02332800       0.08014385 
O       6.04182012      -0.91518220      -7.19123229       0.55142586       0.12217963       1.25316670 
O       0.96922875       5.15638996      -1.84422163       0.43521381       0.35017743       0.05589614 
O       1.06457716       4.18082222      -7.17533125      -0.75251583      -0.11537927       0.02569450 
O       6.26433888       5.08989631      -1.94555017      -0.92526668      -1.01287176       0.61730268 
O       6.10780389       4.29793479      -7.07131267      -0.07309232      -0.14636602       0.03040641 
O       1.66621171      -0.39803439      -4.34021530       0.94993625      -0.16497054      -0.70093798 
O       1.55847391      -1.28333481      -9.75791895       1.91929210      -1.68297701      -0.52517948 
O       6.91699456      -0.39593591      -4.40945921      -0.63979016       0.64819755       0.11225382 
O       6.91068713      -1.44116186      -9.71943819      -0.54312343       0.97482324      -0.37045848 
O       1.62457759       4.67420611      -4.53412446      -0.20426047       0.29593930       0.67669338 
O       1.74415419       3.89185021      -9.70024364       0.58966307      -0.61089318      -0.76721488 
O       7.02374591       4.73511700      -4.43843095      -0.94832772       0.23139499      -0.11174342 
O       6.92780379       3.74272715      -9.66834843      -1.24175221       1.42829380      -0.25802970 
O       4.27230363       4.17908670      -3.36025377       0.65584676       0.94627868      -0.28045970 
O       4.30370144       3.33004282      -8.65683474      -0.48839595      -0.40683258       0.20686829 
O       9.56528220       4.15387737      -3.31569370      -0.73706324       1.26567258      -1.70042029 
O       9.53264587       3.26895102      -8.65642280       0.50676309       0.58254924       0.39628762 
O       4.39561046       9.33802600      -3.44194045      -0.29423790      -0.04954646       0.15568018 
O       4.20612930       8.45247194      -8.55451242      -0.49245418       0.21280232      -1.25289215 
O       9.51974029       9.41527116      -3.52931309      -0.19875143      -0.59973312       0.79988590 
O       9.52686076       8.40422550      -8.72045464      -0.23343353       0.28549922       0.06509473 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003032489606279493 0.0031075388788996115 0.0017699446385530484 0.0031075388788996115 -0.0016313563848503263 -0.002135172330933067 0.0017699446385530484 -0.002135172330933067 -0.0005077376984778432" pbc="T T T" energy=-961.94369623 free_energy=-961.94369623 config_type=crystal 
Hf       2.87433297       2.94008992      -4.15893688      -0.51139086       1.26071546      -0.02959346 
Hf       2.79199155       2.11768899      -9.41619914       0.38782390       0.42383267      -0.27013121 
Hf       7.99460988       2.96076238      -4.24151579       1.07188317      -0.19876853       0.99528433 
Hf       8.02481156       2.15974409      -9.39252851      -0.21138790      -0.66024679      -0.27838601 
Hf       2.83782574       8.15454979      -4.10121464       0.08318231       0.26484125      -0.48748295 
Hf       2.74602010       7.30421071      -9.43860256       0.95354333      -0.00079662       0.91313939 
Hf       8.04477848       8.27085198      -4.11567793      -0.79835527      -1.02564026      -0.62170829 
Hf       8.02372764       7.25416962      -9.39777093      -0.09009104       0.87166454      -0.36603981 
Hf       0.25567524       0.80093159      -3.71053208      -0.35278485       0.07147047      -0.35123808 
Hf       0.24169104      -0.13324657      -8.94268702      -1.09634842       0.04549984      -0.54164183 
Hf       5.40898601       0.78838581      -3.77301707       0.20337473      -0.40669299       1.03718612 
Hf       5.39839632      -0.06176361      -9.01731048      -0.14598172      -1.37989564       1.08748632 
Hf       0.21002288       5.88802427      -3.70025001       0.62194152      -0.12780160       1.02779638 
Hf       0.28728906       5.06845202      -8.95755512      -0.94442656       0.33435761      -0.01399237 
Hf       5.48525451       5.84913288      -3.73601385      -1.02432340       0.57388223       0.03299673 
Hf       5.42440468       5.05179193      -8.97217351       0.01924270      -0.18453443      -0.09511557 
Hf       2.34407954       1.14305521      -1.19819351      -0.30930100       0.46650839       0.63234149 
Hf       2.39014699       0.42774712      -6.33962613      -0.33276781      -1.78895198       0.33107462 
Hf       7.56220175       1.25501429      -1.06623455      -0.75282899       0.45912521      -0.69146666 
Hf       7.60594510       0.34565088      -6.38423188      -0.84618601      -0.89661468      -0.73974886 
Hf       2.39887744       6.42626383      -1.03364745      -0.28807652      -0.95982358      -1.74964803 
Hf       2.36154770       5.48839548      -6.29792316       0.66495081       0.14038816       0.48583946 
Hf       7.50903118       6.25687127      -1.11860254       0.69467885       0.96569474       0.07482782 
Hf       7.66321277       5.54698307      -6.36290529      -1.22740051      -0.36604576       0.37686510 
Hf       4.92737090       3.44234839      -1.50686566       0.19165297      -0.17107625       0.08877315 
Hf       5.01356608       2.62107866      -6.85445500       0.13193791       0.12073772       0.75241828 
Hf      10.13248664       3.44872177      -1.52266043       0.23151339      -0.16029907       0.19557127 
Hf      10.20199179       2.63205134      -6.83084402      -0.50076530      -0.89819685       0.30024420 
Hf       5.00565553       8.55448616      -1.49411648      -0.79349712       0.26797412      -1.24662009 
Hf       4.89546469       7.63632018      -6.77552694       0.73593836       1.75182847      -0.08760658 
Hf      10.07824847       8.60295821      -1.48327210       0.73584298      -0.38375589      -0.54654028 
Hf      10.16947172       7.69224586      -6.66397439       0.19901807       1.31734650      -1.03898227 
O       1.25024144       1.55962560      -8.06337276       0.76728660      -0.49481890       0.43733772 
O       6.53694770       2.45303162      -2.76429853       0.07176692      -1.13070717       0.05068924 
O       6.45276273       1.44447429      -8.03606525       0.81645186       0.46214947       0.39433565 
O       1.35092226       7.47507500      -2.78018539       0.04436728      -0.00329428       0.76551624 
O       1.28734726       6.66680967      -7.95134370       0.17559926      -0.09180922      -0.23430468 
O       6.52763436       7.46849428      -2.81138211       0.37455902      -0.25862164       0.36172829 
O       6.54663343       6.54969816      -8.09069255       0.05899647       0.60536883       0.59192756 
O       3.92978361       1.45021197      -5.21284626       0.53554229      -0.07182694       0.75567191 
O       3.89021477       0.58812015     -10.36336220       0.22932201      -0.77794853      -0.09339362 
O       9.18788403       1.37074601      -5.27636346      -0.36752070       0.52538040       0.61874677 
O       9.05684111       2.31236534      -0.01407215       0.73396455       0.19335047       1.51418554 
O       3.93927524       6.57411001      -5.08981678       0.15242461       0.13478044       0.02784116 
O       3.90539229       5.69287208     -10.33177854       0.05587234       0.09400104      -0.09302801 
O       9.11470113       6.64591038      -5.05335077       0.25616992      -0.54979756      -0.20390627 
O       9.13722667       5.67320838     -10.33962783      -0.43020071       0.75998864       0.26231197 
O       3.91155934       1.85369711      -2.52054079      -1.02528040      -0.19388925      -0.05689478 
O       3.83743903       1.04835330      -7.72974219      -0.55665678      -0.07663893      -0.75480974 
O       9.11114391       1.84030772      -2.56780455      -0.49642379      -0.25581934      -0.30064977 
O       9.02038656       1.05101658      -7.85144481       0.03027413      -0.17489043       0.27304701 
O       3.87966695       6.89955095      -2.43218939       0.30353923       1.20478864      -0.44840079 
O       3.79052113       6.08363062      -7.72419063       0.59837924       0.28224798      -0.33902226 
O       9.14779100       6.92552420      -2.38270318      -1.04233011       0.64438200      -0.45180099 
O       9.09000777       6.20369571      -7.70196016      -0.00452340      -0.12670746      -0.22872978 
O       1.27596044       2.70848201      -0.17905388      -0.11159707       0.67378821       0.03923570 
O       1.23701283       1.92757577      -5.31424999       0.61306547       0.36002755      -0.35394422 
O       6.44252964       2.87685521      -0.06224295      -0.25071086      -0.40216044      -0.59076790 
O       6.53371206       1.84681815      -5.40455460      -0.72601192       0.92618661       0.08791773 
O       1.21516183       7.96731625      -0.15153982       0.13527615       0.33216038       0.34944515 
O       1.25606967       7.09993197      -5.32570896       0.01487336      -0.54685706      -0.17059217 
O       6.41684815       7.85661800      -0.21601509       0.64658785       0.14071199       0.92566126 
O       6.50081743       7.01622387      -5.41842745      -0.61832814      -0.23139924       0.02376466 
O       3.48851796       4.64054403      -0.74742734      -0.57103851       0.66724184       0.14678466 
O       3.58122433       3.83358439      -6.02364294      -0.23924597      -0.39456708       0.14529070 
O       8.57726801       4.60646742      -0.79881447       0.67758875      -0.13477410       0.01836361 
O       8.73522377       3.82194419      -6.11005436       0.02978701      -0.25488970       0.80361295 
O       3.41671344       9.73640083      -0.84212235       0.00562237      -0.03311557      -0.08497441 
O       3.43987424       8.91536131      -6.08132549      -0.01085679      -0.13057376       0.33344484 
O       8.69099509       9.92023321      -0.77397145       0.07727143      -1.70448810      -0.05747770 
O       8.58169220       8.87979159      -6.05315956       0.84484941      -0.21384003      -0.13655774 
O       0.74217430       0.02258533      -1.78676768       1.28854743       0.81983909      -0.00526235 
O       0.87786511      -0.84413552      -7.04910130      -0.06168107       0.47856965      -0.24812550 
O       6.01512683      -0.02008697      -1.79233246       0.86089871       1.20138470      -0.58569109 
O       6.05502172      -0.90332936      -7.06356029       0.12143254       0.33540140      -0.44288266 
O       0.91091488       5.10877774      -1.83823640       0.42540398       0.41740860       0.52990595 
O       0.95870608       4.28961944      -7.03631768      -0.46597203      -0.08944017      -0.69247968 
O       5.98170852       5.14005764      -1.76638205       0.69973400       0.68108585      -0.38875932 
O       6.20315979       4.28352293      -7.05358558      -0.52325867      -0.07123409      -0.22528973 
O       1.71331985      -0.41035666      -4.39935670       0.85061406       0.06440665      -0.37614645 
O       1.62626778      -1.33242041      -9.72245458       0.56341137      -0.35636869      -0.21707220 
O       6.84291207      -0.42337013      -4.47965299       0.84084376      -0.03832243       0.25433858 
O       6.77163226      -1.34033587      -9.79019081       0.62172048      -0.31643412       0.34847670 
O       1.71315392       4.69672065      -4.44529151      -0.15585947      -0.23725399       0.07636897 
O       1.74091637       3.94120271      -9.70460233       0.40801612      -1.22591727       0.59514007 
O       6.98188310       4.67054549      -4.38054595      -0.26885904       0.65060813      -0.55089747 
O       6.97604791       3.86025131      -9.63771780      -0.58171694       0.40016700      -0.21680520 
O       4.26372135       4.19709545      -3.36652714       0.25771121       0.03834497      -0.39204656 
O       4.34268416       3.36771346      -8.65136068      -0.66651124      -0.63551989      -0.37910055 
O       9.48301434       4.15111931      -3.29146875      -0.28690918       0.59836651      -1.95369151 
O       9.55959549       3.37876022      -8.70654052      -0.07687085      -0.11296913       0.03939180 
O       4.37793947       9.35476421      -3.46023730      -0.83399167      -0.72487436       0.06339898 
O       4.27862467       8.44897470      -8.67209955      -0.48951412      -0.27864000      -0.28643597 
O       9.63882928       9.29925305      -3.53042793      -1.02665950      -0.48891710       0.89438426 
O       9.42006027       8.53978880      -8.69642226      -0.01299049      -0.49919170       0.56772731 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0008189333141965669 -0.0007380216854054347 -0.0008846932364374693 -0.0007380216854054347 -0.0007381979518646588 0.0005829526644407268 -0.0008846932364374693 0.0005829526644407268 -0.001248132374445393" pbc="T T T" energy=-961.65036009 free_energy=-961.65036009 config_type=crystal 
Hf       2.73205742       2.99552924      -4.17048700      -0.12443657       1.48795495      -0.51142253 
Hf       2.88758766       2.13140427      -9.37396516      -0.61056222      -0.43692422      -0.48708880 
Hf       7.97511862       3.10273333      -4.13235843       0.59893887      -1.12882857       0.72359075 
Hf       7.98957827       2.14360259      -9.43833018       0.34022696      -0.73808893       1.65679920 
Hf       2.77825267       8.14606521      -4.20417686       0.97012962      -0.10152583       0.14543028 
Hf       2.87196648       7.22929653      -9.43017731      -0.65252023       0.47370932       0.35567216 
Hf       8.01701208       8.13515530      -4.19562141      -0.73916133       0.32407078       1.19906258 
Hf       8.03285406       7.23381834      -9.36954074      -0.02697770       0.18475750       0.06947021 
Hf       0.20580286       0.71030602      -3.76667073       0.07159951       1.19082283       0.73355387 
Hf       0.22600616      -0.07267044      -9.01790880       0.01839528      -0.52225672       0.53169992 
Hf       5.38922169       0.80945075      -3.73383004       0.60812260      -1.05952799       0.62218148 
Hf       5.48772636      -0.07910995      -9.01232102      -0.41182745      -0.60448617       1.11717528 
Hf       0.15134899       5.99369746      -3.78802472       1.63054750      -0.52585434       1.12249993 
Hf       0.17394455       4.94001991      -8.91022646       0.69596115       1.46078100       0.21526410 
Hf       5.36006424       5.96312413      -3.65071928       0.37744617       0.73737599      -0.44011305 
Hf       5.40891868       5.00163392      -8.95859058      -0.09353455       0.86453638       0.76845084 
Hf       2.39846806       1.26804652      -1.09497801       0.05277909       0.23730923       0.30273203 
Hf       2.38478633       0.31909470      -6.33504924      -0.55071798      -0.54275357      -0.68955725 
Hf       7.63179345       1.17266564      -1.09884642      -0.34722203      -0.09721777       0.04920212 
Hf       7.60222226       0.35435028      -6.29101903      -0.03782263      -0.66866660      -0.58790839 
Hf       2.39073612       6.31117627      -1.08172784      -0.57926229       0.26399829      -0.86263153 
Hf       2.32977512       5.50321108      -6.38751930       0.49214626       0.02551517       1.06799609 
Hf       7.62077527       6.41728740      -1.02640551      -0.37689276       0.81077748      -0.72476198 
Hf       7.52229803       5.43952469      -6.31698561       1.02921867       0.79411438       0.21445553 
Hf       5.06841832       3.49658974      -1.59429353      -1.24577834       0.13525995       0.85576548 
Hf       4.97088898       2.46306741      -6.70973237      -0.31800507       1.35622733      -1.06906463 
Hf      10.14897053       3.50634992      -1.57299582       0.36117367      -0.49623806       0.71397693 
Hf      10.11708396       2.53630016      -6.76840019       0.28240563       0.05359072       0.13021199 
Hf       4.92767211       8.62553508      -1.52985322       1.50163464       0.03896612      -0.72415275 
Hf       5.06983607       7.68310025      -6.77859059      -0.97875681       0.74815652      -0.01424889 
Hf      10.22558898       8.66371117      -1.53100052       0.28563904      -1.36610007       0.16929827 
Hf      10.16934538       7.74992115      -6.84420895      -0.18220759      -0.43523516       0.58504681 
O       1.32498434       1.44362950      -7.96357268       0.57241027       0.46317118      -0.13493426 
O       6.52509383       2.37876265      -2.67173924      -0.27009642       0.09726930      -0.07561774 
O       6.57988175       1.57759553      -7.95251210      -0.59268137      -0.54641215       0.57683067 
O       1.39016297       7.44287930      -2.82333671      -0.69228983       0.15573243       0.60620409 
O       1.29193853       6.61522904      -8.02798925       0.78982412       0.01060315      -0.18893306 
O       6.51486136       7.53321600      -2.70815862       0.66405736      -0.31428321      -0.00142191 
O       6.57843002       6.66316381      -7.89213584      -0.18527007      -0.60562442      -0.55293874 
O       3.80225427       1.35211462      -5.20185131       1.11735998       0.96081172       0.79081294 
O       3.99404135       0.58558925     -10.40583843       0.21065604      -0.40550411      -0.23521953 
O       9.11640358       1.29201628      -5.10665720      -0.40671407       0.91639818      -0.61195054 
O       9.14701776       0.47521120     -10.44219230       0.14037666       0.34189521       0.19382142 
O       3.94068344       6.52156215      -5.13129872       0.09793361       0.71502593       0.03763241 
O       3.95799658       5.62529469     -10.40906379      -0.02067366      -0.06786637       0.47554595 
O       9.16439210       6.67495536      -5.15443014      -0.19783626      -1.09453661       0.00945397 
O       9.26198710       5.74506140     -10.27693262      -1.31405677      -0.35039202      -0.97153248 
O       3.78109381       2.02981149      -2.61638960       0.11932944      -1.03261061       0.82204037 
O       3.90140958       0.90856663      -7.78568489      -0.27418371       0.53367157       0.17181243 
O       9.02774527       1.93023172      -2.55849358       0.52271167      -0.38412442       0.13793187 
O       9.08091148       0.93989394      -7.79074051      -0.23149146       0.35784144       0.09370642 
O       3.88229383       7.12218691      -2.53217470      -0.51633866      -0.63663155       0.23570191 
O       3.86920382       6.07243081      -7.70546778       0.32959298       0.69432024      -0.98357925 
O       9.13718552       6.94438446      -2.42605873      -0.41841776       0.64174555      -0.00461419 
O       9.10540992       6.04741136      -7.71124194      -1.19186382       0.56543485       0.11073408 
O       1.24557339       2.86024597      -0.13923167       0.53852699      -0.74233324      -0.04376423 
O       1.13804756       2.02866670      -5.30733367       0.92731337      -0.74664439       0.23057354 
O       6.55898157       1.03271990     -10.44314323      -0.90094032       0.14381732      -2.26068327 
O       6.43115985       1.92810140      -5.32447346      -0.31650890      -0.14070010       0.45070357 
O       1.33393163       7.91666925      -0.18077587       0.17568118      -0.12992829       0.13714198 
O       1.26706104       7.15045060      -5.40242718       0.08791604      -0.43969144      -0.24255664 
O       6.44301403       8.02371874      -0.12869926       0.42169844      -0.44757604       0.76126406 
O       6.50087520       7.05641321      -5.25657080      -0.77292642      -0.39862452      -1.07163376 
O       3.42272007       4.58693943      -0.84316316       0.64993318       0.32772439       0.83706370 
O       3.44846826       3.76138840      -6.11306204       0.09677597      -0.76397697       0.48200767 
O       8.65189557       4.65552952      -0.69001906       0.55243224       0.56527366      -0.90050685 
O       8.60462223       3.68370132      -5.99150265       0.29968160       0.27456627       0.09343145 
O       3.52520401       9.82019409      -0.80751399      -0.50513678       0.48883752       0.39389795 
O       3.50890881       8.90548946      -6.05637180       0.04324838      -0.10120460      -0.39878133 
O       8.68550039       9.70020550      -0.76862277       0.00347730       0.97906248      -0.61602383 
O       8.57570562       8.84793613      -6.05866660       0.50836400       0.44174472      -0.60964874 
O       1.00684234      -0.00863805      -1.78983689      -0.69698689       0.44364187      -0.67452362 
O       0.81204415      -0.81760083      -7.01505211       0.24344847       0.14121031      -0.50743109 
O       6.16314489      -0.03773230      -1.92593046      -0.06907953       0.97251352       0.34846389 
O       6.11519233      -0.83549842      -7.10386164      -0.16877377      -0.02539840       0.07982545 
O       1.00807962       5.07554459      -1.93522253      -0.42341119       0.25615143       0.53988976 
O       0.77088757       4.39539498      -6.93520198      -0.53422154      -1.48286441      -0.62832477 
O       6.08876337       5.24550888      -1.71124212      -0.15582077      -0.44527074      -0.11059665 
O       6.09611097       4.29397311      -6.97347546      -0.93902864      -0.53687200      -0.62704813 
O       1.64783367      -0.44595420      -4.48513587       0.51627129       0.24140471      -0.26585285 
O       1.72141462      -1.34255096      -9.66100023       0.04132203       0.48062138      -0.31760911 
O       6.91916977      -0.45254571      -4.43744442      -0.68959915       1.00884374      -0.29200475 
O       6.93249969      -1.29611660      -9.77146669       0.17946786      -0.72462655       0.39346402 
O       1.68287722       4.78558911      -4.46213760       0.02568722      -0.48244680       0.03109851 
O       1.62214106       3.73719045      -9.60909121       1.06914295       0.05248470      -0.78643960 
O       6.87740681       4.73451285      -4.34846362      -0.04906904       0.30967548      -0.39673541 
O       6.96261513       3.96132867      -9.61101293       0.39803768      -0.60299011      -0.29407439 
O       4.27112288       4.29039713      -3.38007972       0.12337934      -0.40296119      -0.12335258 
O       4.38947800       3.28917586      -8.62349223      -0.42433802      -0.17445177      -0.56453210 
O       9.36408640       4.33614892      -3.24432143      -0.13714166      -0.01934309      -1.65115940 
O       9.40226574       3.35236103      -8.56797585       0.32950995      -0.38135885       0.01718372 
O       4.26454333       9.48785562      -3.42719038      -0.69000317      -0.95406233      -0.07726628 
O       4.41235514       8.41994084      -8.74949159      -0.25567711      -0.43794288       0.40380993 
O       9.53192478       9.29554568      -3.45579702       0.17193809      -0.06036408       0.75188153 
O       9.46702679       8.48380687      -8.66290629       0.06635772       0.00568109      -0.32281092 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00022828398895083919 -0.0026523723819400777 -0.0018884584949749382 -0.0026523723819400777 0.004087967428166332 0.00034849708374923256 -0.0018884584949749382 0.00034849708374923256 -1.2955307005812977e-05" pbc="T T T" energy=-961.87159886 free_energy=-961.87159886 config_type=crystal 
Hf       2.76696195       2.95795832      -4.16058285       0.29339014       0.68096916      -0.55891882 
Hf       2.87549492       2.13884548      -9.46093457      -0.37404937      -0.27417937       0.50896083 
Hf       8.00540051       3.05242638      -4.08866539       0.72940047      -0.25592122      -0.37181559 
Hf       8.08483899       2.10460316      -9.44557915      -1.26060473      -0.73132879       1.68758101 
Hf       2.72376638       8.17655210      -4.23595678       2.12410355      -0.02064012       1.18773260 
Hf       2.83278094       7.24095036      -9.37477591      -0.02213088       0.61169960      -1.33264984 
Hf       8.05064172       8.16081327      -4.13371794      -0.98895769       0.59656730      -1.19747359 
Hf       7.97728520       7.28728625      -9.38140850       0.21236763      -0.30873973       0.10911500 
Hf       0.22499633       0.79173075      -3.78893932       0.64066616       0.53711044       0.53139686 
Hf       0.26033258      -0.15459254      -8.96955151      -0.13214135      -0.01735327      -0.14346957 
Hf       5.35631552       0.79920291      -3.73734133       0.32425346      -1.10092623       0.81934074 
Hf       5.38798036      -0.11231881      -8.91028390       0.78041835      -0.33256673      -0.42325542 
Hf       0.17345756       5.96430805      -3.71834241       1.55115032      -0.60245004       0.20216257 
Hf       0.20776185       5.06376281      -8.97614210       0.16994470      -0.96383347       0.23384257 
Hf       5.37655426       5.94269261      -3.68696530       0.53350767       0.86377860      -0.56993389 
Hf       5.37157918       5.03390876      -8.93937577       1.34077538      -0.20316046      -0.65318164 
Hf       2.42044634       1.29248302      -1.12491213      -0.36840730      -1.23440856       0.43658286 
Hf       2.40497883       0.31065634      -6.40953104       0.32973814       0.78244885       0.37914830 
Hf       7.54727516       1.20354795      -1.09056923       0.46188414      -0.16772771       0.91876865 
Hf       7.51904358       0.44798278      -6.30877068       0.51030687      -1.77766322      -0.02795151 
Hf       2.42670587       6.31430802      -1.11105094      -0.19458944       0.92790350      -0.26863882 
Hf       2.35480347       5.43805841      -6.40813194       0.13845403       0.04155966       1.49634367 
Hf       7.64156833       6.41816425      -1.04194218      -1.46130348      -0.60652493       0.14094044 
Hf       7.52827494       5.47132310      -6.28160105       1.14661666       0.27706796      -0.50246854 
Hf       5.06570219       3.45396299      -1.63100084      -0.36124422       0.25860585       1.62916116 
Hf       4.97316851       2.56782622      -6.78057016       0.02171425       0.31561380       0.42563635 
Hf      10.14617481       3.43370622      -1.54011293       0.66670218      -0.01923861      -0.11741556 
Hf      10.14495883       2.55854410      -6.75762292      -0.23629328      -0.19200430       0.06423884 
Hf       4.95568663       8.60033769      -1.52527318      -0.20728451       0.36714438      -0.28734457 
Hf       4.97821902       7.67525300      -6.73724569       0.21994523       0.66973686      -0.43151176 
Hf      10.21384556       8.59597773      -1.58227446       0.71697673       0.81413491       0.72099336 
Hf      10.16860195       7.75867773      -6.75156859      -0.70912781      -0.99786559      -0.05069559 
O       1.41370738       1.39605073      -8.03708654      -0.13325625      -0.00048108       0.02978799 
O       6.58402114       2.41724636      -2.66962757      -0.80082996      -0.53556784      -0.21846709 
O       6.53244299       1.48664989      -7.94809975       0.41652752      -0.13710009       0.38623993 
O       1.37186172       7.55112231      -2.70381894      -0.50027912      -0.29554185      -0.32984595 
O       1.27536445       6.57878506      -8.00752718       1.00394368       0.02341110       0.35986368 
O       6.57149637       7.52701663      -2.83087938       0.02752832      -0.04905321       1.58785593 
O       6.49815346       6.61064361      -8.01322806       0.30185265       0.01328588       0.64968050 
O       3.93227987       1.36925973      -5.15238988      -0.20160466       0.70910829      -0.42205372 
O       3.94502762       0.46363054     -10.45577029       0.23952113       0.89075065       0.38022370 
O       9.06050795       1.41098017      -5.04038665       0.03806084       0.09077935      -0.99678574 
O       9.10665988       0.43951765     -10.28985527       0.46203264      -0.06743927      -0.91641069 
O       3.90169687       6.61447251      -5.19080207       0.09357939      -0.56960335       0.06598619 
O       4.01799222       5.64870888     -10.44998510      -0.65089292      -0.06817144       0.56561145 
O       9.15247599       6.57055453      -5.18579539       0.00141711       0.36696707       0.76482538 
O       9.15733615       5.57039540     -10.43046430       0.17607326       0.48034875       0.27543810 
O       3.83352209       1.82670345      -2.58177285      -0.10599793       1.11752781       0.12852137 
O       3.92797528       1.00850053      -7.78774017      -0.40297589      -0.44839903       0.10596913 
O       9.04140664       1.89734395      -2.55905021       0.33404886       0.06200938       0.91227126 
O       9.15401053       0.88896070      -7.72393274      -0.74147592       0.33045050       0.57196671 
O       3.90978239       7.04943982      -2.63818819      -0.59404094      -0.39876867       0.96584624 
O       3.89609754       6.09457145      -7.76239323      -0.81580878      -0.13828454      -0.18271389 
O       9.07541564       6.95054700      -2.51613012       0.16593948       0.82515767      -0.00781013 
O       9.08553256       6.01128172      -7.74319291      -0.63879771       0.40188062       0.00177833 
O       1.20373864       2.82175540      -0.14318745       0.59988739      -0.00828400      -0.37407657 
O       1.24615930       1.89867228      -5.41573531       0.14181425       0.08297739       0.54823873 
O       6.50278182       2.75127602      -0.07472836      -0.66925182       0.39681053      -0.32493567 
O       6.40398434       1.97356437      -5.25526495       0.23317391       0.13571198      -0.69209023 
O       1.33618788       7.90502885      -0.16694628      -0.91951797       0.65627667       0.41171351 
O       1.31912328       7.07055521      -5.26015192      -1.16089949      -0.30333267      -1.44090163 
O       6.44820170       8.00970283      -0.07644289       0.88829550      -0.92266633      -0.34154963 
O       6.38182340       7.09972366      -5.31215029       0.88374944      -0.90105249      -0.33945116 
O       3.55690553       4.67060264      -0.77018462       0.31731911      -0.64252511      -0.57719411 
O       3.41058576       3.74564535      -6.09061326       0.67463032      -0.59921680       0.02860214 
O       8.62480776       4.52613778      -0.76880033       0.08344799       1.30331051      -0.96401477 
O       8.63998424       3.71761027      -5.96441313       0.33934868       0.07912140      -0.82492261 
O       3.44865258       9.75681477      -0.74154071       0.15339733       0.09712086      -0.41173718 
O       3.51904247       8.96116159      -6.06354401       0.29448691      -0.55641642       0.00670103 
O       8.68408263       9.72593588      -0.77472340      -0.01321721       0.24665857      -0.35650630 
O       8.63500875       8.91200430      -6.04075113       0.41558222       0.11286834      -0.08453217 
O       0.88527953       0.17721985      -1.88338923      -0.39905502      -0.92985110       0.30074678 
O       0.99805329      -0.97794617      -7.03226950      -0.38477412       0.59866128      -0.59372012 
O       6.02479209       0.04664994      -1.68324483       0.41914789       0.63350891      -0.82472514 
O       6.13483664      -0.93630070      -7.04327358      -0.11256706       1.06049995      -0.28945206 
O       0.87911818       5.16060815      -1.76187636      -0.00605650       0.10725988      -0.23029719 
O       0.89797969       4.20656298      -7.05800832      -0.05608431       0.58691181      -0.37130817 
O       6.07684144       5.24039970      -1.77264492      -0.00186520      -0.26195985      -0.08981047 
O       6.11065468       4.31308825      -7.03588705      -0.97167235      -0.73048897       0.23249881 
O       1.79664690      -0.35556612      -4.47831448      -0.90310520       0.28622191       0.08040328 
O       1.76529159      -1.28756930      -9.75258948      -0.30970563      -0.31234638       0.76481339 
O       6.80915909      -0.44091956      -4.47925134       0.61305997       0.17256901       0.38540223 
O       6.92946021      -1.29720182      -9.61641128       0.42839700      -0.30020455      -0.26891455 
O       1.74354314       4.71967402      -4.42059151      -0.31089721       0.07152627      -0.02035403 
O       1.88437424       3.94279877      -9.67689328      -0.70592628      -0.70565020       0.55891354 
O       7.06428614       4.80586165      -4.34749441      -1.31354981       0.64084277       0.03780006 
O       6.92586070       3.78791982      -9.58926054       0.10047942       0.84208249      -0.96958141 
O       4.35350399       4.20498685      -3.44315957      -0.33436783      -0.71490974      -0.15436359 
O       4.35967396       3.26029923      -8.63561558      -0.05491651       0.63388731      -0.39293971 
O       9.55606289       4.27580672      -3.41561118      -0.50839090      -1.01931371       0.18909595 
O       9.55745259       3.21900318      -8.60762858       0.25726238       0.95452674      -1.01078613 
O       4.27664563       9.43010225      -3.31168909      -0.40737495      -0.35800638      -0.94717786 
O       4.32671636       8.44636114      -8.65703677      -0.39720041      -0.17880701       0.03291895 
O       9.56365944       9.38057581      -3.45696784      -0.63674572      -1.27161911       0.40196605 
O       9.64247710       8.30706897      -8.66104212      -0.54216330       0.69890159      -0.35578281 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0043319252134227625 0.0008020882550129395 0.0003019115206901913 0.0008020882550129395 -2.2905826688243236e-05 0.0032678824993624574 0.0003019115206901913 0.0032678824993624574 0.0010583488661526723" pbc="T T T" energy=-961.95941758 free_energy=-961.95941758 config_type=crystal 
Hf       2.74830701       2.92546681      -4.13087239       0.84248723       1.53977673      -0.73652222 
Hf       2.83389228       2.15759365      -9.43500758      -0.51459497      -0.60653334      -0.69369893 
Hf       7.99742897       3.06431838      -4.10487840      -0.03424547      -0.15285178      -1.39740563 
Hf       8.06580220       2.10507717      -9.37419124      -0.52625096       0.35511389      -1.23505755 
Hf       2.76491475       8.15603282      -4.25361383       0.54390936      -0.13746546       1.30779697 
Hf       2.80276659       7.21005871      -9.35149244       0.36311437       1.42543694      -1.47471319 
Hf       8.00570411       8.14383666      -4.13924933       0.88867747       0.38051766       0.54506397 
Hf       7.99533231       7.24383231      -9.32624305      -0.02243355       1.22445165      -0.76904479 
Hf       0.26099891       0.86692940      -3.79583463      -0.89509571      -1.79197888       0.79285106 
Hf       0.28526420      -0.14697808      -8.97741466      -0.95512096       0.27446039      -0.66369846 
Hf       5.36503599       0.79201106      -3.75769819       0.04886467      -0.91512138      -0.05279724 
Hf       5.41716857      -0.11523966      -8.90028682      -0.59898084      -0.42251633      -1.76097071 
Hf       0.19980828       5.95710043      -3.69975165       0.83329010      -0.73345304       0.12519713 
Hf       0.23418000       5.11906348      -9.00011042      -0.34410690      -1.71145170       0.22170430 
Hf       5.37705019       5.92986217      -3.69280667      -0.57696697      -0.28390177       0.64335029 
Hf       5.36692578       5.07325920      -8.96692699       0.65116486      -1.11409564       0.24660677 
Hf       2.40004489       1.26545141      -1.10598861       0.39123280      -0.98931701       0.24525870 
Hf       2.44156856       0.29463617      -6.44561504      -0.77607667       0.44259727       1.20460847 
Hf       7.57526744       1.22618943      -1.11017645      -0.06511926      -0.27001375       0.72785938 
Hf       7.47956171       0.37753191      -6.30145262       1.13232057      -0.83884359      -0.69187601 
Hf       2.45731869       6.33780816      -1.13227262      -1.28433385      -0.28055755       0.12472013 
Hf       2.39158127       5.41221523      -6.37204637      -0.42473590      -0.71137935       0.87468539 
Hf       7.60234746       6.39709592      -1.01490412       0.48243427      -0.04717051      -0.63341193 
Hf       7.53444075       5.50343358      -6.29872792       0.36184145      -1.16389063      -0.39821396 
Hf       5.08191365       3.46904831      -1.60958690      -1.71600902       0.49557161       0.51274193 
Hf       4.93439712       2.55678610      -6.80210623       0.53962388       0.40631506      -0.03753255 
Hf      10.18894999       3.38593097      -1.56398706      -0.27628505       1.74513085       0.30350307 
Hf      10.11739182       2.54924185      -6.74912742       0.37348534       0.44350696      -1.45379629 
Hf       5.00145941       8.60015017      -1.48831638      -0.43752400       0.37514540      -0.80354376 
Hf       4.97856544       7.64802145      -6.70107107      -0.15898116       0.53774248      -1.55181388 
Hf      10.22068279       8.67337109      -1.55034459      -1.02195333       0.26711434      -0.15706934 
Hf      10.16852288       7.72825677      -6.77168729      -0.48992766      -0.04939522      -0.24668412 
O       1.29241981       1.45202547      -8.06825207       0.22466537       0.18407591       0.31484775 
O       6.45610487       2.38237741      -2.85161993       0.69157428      -0.09128317       0.46772823 
O       6.51784525       1.40639453      -7.99037059      -0.25625142       0.84431255      -0.18872685 
O       1.40401854       7.48061915      -2.77350996      -0.15208454       0.25761811       0.05281417 
O       1.42320079       6.53259065      -7.95383507      -1.08944816       0.59134756      -0.51681543 
O       6.63527616       7.48403873      -2.54069677      -0.43232864       0.78768006      -2.00097360 
O       6.50585755       6.55338483      -7.89125221      -0.26021285       0.63196356      -0.52814158 
O       3.96315858       1.50185823      -5.20159005      -0.25519835      -1.26784917       0.55793202 
O       3.91585209       0.58901275     -10.36534765       0.39994692      -0.47237164      -0.31853794 
O       9.10566064       1.44910693      -5.19126567       0.16107667       0.22666043       0.92432748 
O       9.15943530       0.52990319     -10.42635269      -0.02741935       0.36638656       0.56794493 
O       3.89101347       6.50854887      -5.20753433       0.43861484       0.47523932       0.51679666 
O       3.87584644       5.66593365     -10.39254427       0.37521837       0.00385721       0.19986869 
O       9.13831692       6.51668253      -5.10149417      -0.73138970       0.46472182      -0.27958735 
O       9.08922361       5.82253197     -10.35900068       0.22295852      -1.02088551       0.01228513 
O       3.76356549       1.91378312      -2.55821647       0.14025473      -0.44706326       0.14483336 
O       3.79713476       0.96307765      -7.79384458       0.69915544       0.41863758      -0.04296118 
O       9.06251588       1.89285681      -2.50013857      -0.55192403      -0.29680754      -0.60314579 
O       8.93658851       1.00585456      -7.73940472       1.05427703      -0.00476307      -0.05106267 
O       3.89689635       7.04585977      -2.48950337       0.22254752      -0.22117371      -0.42309674 
O       3.83625121       6.15034999      -7.82694348       0.75034595      -0.35850909       0.73385516 
O       9.17399886       7.13654150      -2.48785929      -0.70051072      -1.12007306      -0.18913651 
O       8.96561723       6.16197100      -7.75530880       1.01329571      -0.05281783       0.35882476 
O       1.30673691       2.82491753      -0.29152029      -0.08710211      -0.22151838       0.79137051 
O       1.27636711       1.80366468      -5.37282425      -0.08651298       1.04718338      -0.49464486 
O       6.43148922       2.85868467      -0.22112468       1.05097461      -0.62815142       0.90882246 
O       6.48077226       1.94703111      -5.41334296      -0.49537440      -0.07170557       0.42862250 
O       1.16795727       7.97621125      -0.10347129       1.13142622      -0.09302544       0.01693173 
O       1.21988464       6.98949174      -5.43898150       0.48707975       0.47582072       0.63910007 
O       6.42736989       7.95601959      -0.03588123      -0.37573289       0.78031973       0.40210159 
O       6.44821147       7.01672625      -5.32533199      -0.47745683       1.06124261       0.38858462 
O       3.52026187       4.63884866      -0.86688041      -0.24461613       0.36036649       0.16102321 
O       3.54278325       3.74295205      -6.00299407      -1.07911039       0.47178968      -0.65925401 
O       8.65464318       4.68881228      -0.87922060       0.60624425      -0.92500031       0.27964831 
O       8.65296744       3.77162402      -6.11293572      -0.46705601       0.15963011       0.64880888 
O       3.51796333       9.80706446      -0.82552376      -0.45220803      -0.09177988       0.25922024 
O       3.52606350       8.90052661      -6.06080472      -0.35655762       0.04008724      -0.31554697 
O       8.68487105       9.86438231      -0.79853662      -0.16217756      -0.29605419       0.01723539 
O       8.66538872       8.86099802      -6.07482038      -0.25820577       0.25121762       0.05885301 
O       0.85412682       0.09241009      -1.83833164       0.67650688       0.84293462      -0.20401235 
O       0.99043721      -0.87988385      -7.14229557      -0.80776587      -0.68243913       0.61134617 
O       6.01415357       0.08873902      -1.84918284       0.31825821       0.05713705       0.23565418 
O       6.00893348      -0.85213532      -7.06415400       0.12562054      -0.49689447       0.88604663 
O       0.90002845       5.16261738      -1.85916113      -0.00802962      -0.22043007       0.14022382 
O       0.86189658       4.27611364      -7.10472070      -0.11162388      -0.40325860       0.24523680 
O       6.04365536       5.24405978      -1.81459906      -0.15693142      -0.65633328      -0.11309093 
O       5.99735288       4.25536127      -7.03993587       0.69126247       0.73928281      -0.27869307 
O       1.72413688      -0.42094063      -4.42864136       0.11656214       0.01569492      -0.51478636 
O       1.72992687      -1.30039979      -9.63040614       0.37996941      -0.17144153      -0.96890736 
O       6.89487238      -0.43032934      -4.44037093      -0.34707017       0.30304580       0.03249399 
O       6.97810425      -1.23471563      -9.59268489      -0.10157988      -0.14970784      -0.66051271 
O       1.72165723       4.68901484      -4.45150449      -0.32302071       0.09072043      -0.04800902 
O       1.71016307       3.83032575      -9.70094109      -0.08926953       0.72242210      -0.43811776 
O       6.89311299       4.82006435      -4.38468413       1.02064985      -1.25995508      -0.20502572 
O       6.92760014       3.86419421      -9.74793373      -0.49979577      -0.42078107       1.39191870 
O       4.31546263       4.14991040      -3.52438212       0.53553133       0.79763542       0.51814194 
O       4.26628651       3.32106181      -8.70928516       0.65009363       0.37650741       0.39267934 
O       9.53609919       4.15163440      -3.47703897       0.20085584       0.47627789       0.07544148 
O       9.55009346       3.30292722      -8.76104265      -0.13598469       0.10965240       0.48914438 
O       4.33669125       9.27152375      -3.53924601       0.32905265       0.46449340       0.54600100 
O       4.25499246       8.48963932      -8.71170565       0.37901585      -0.59924648       0.74923798 
O       9.50317328       9.36560464      -3.51595897       0.27196060       0.41178201       0.34953829 
O       9.58673847       8.41770016      -8.70160882      -0.20292500      -0.15032482       0.33856729 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005840655729533412 -0.002286983483862356 0.0006094993943379355 -0.002286983483862356 -0.00775162314114826 0.0023234100296266164 0.0006094993943379355 0.0023234100296266164 -0.0035508456846407633" pbc="T T T" energy=-961.9491465 free_energy=-961.9491465 config_type=crystal 
Hf       2.81128757       3.04959260      -4.23071835       0.00959642      -0.20477308       0.93699454 
Hf       2.91017159       2.09884068      -9.46044546      -0.91484459      -0.64952792       0.87449558 
Hf       8.03630395       3.02189311      -4.08872230      -1.00053638      -0.59484987      -0.52648227 
Hf       8.03766674       2.08699765      -9.46357148      -0.20314819       0.03783347       0.98432641 
Hf       2.76867801       8.18748855      -4.15196197      -0.20871036      -0.68535137      -1.61392029 
Hf       2.84748923       7.29411529      -9.47387886      -0.49954106      -0.82011359       1.67158493 
Hf       8.03674096       8.20792942      -4.17816261      -0.79334547      -0.08961578       0.07216281 
Hf       7.98415849       7.29801938      -9.45707939      -0.01464879      -1.13197431       0.98818347 
Hf       0.18665022       0.71309680      -3.72052296       0.45898483       1.10808178       0.41807320 
Hf       0.22709850      -0.16426042      -8.96591075       0.15513358       0.73500763       0.33027654 
Hf       5.36597663       0.76419756      -3.67374265       0.69071366       0.68369999      -1.43502470 
Hf       5.39699041      -0.11675660      -8.95018959       0.00293310       0.23839010       0.60253133 
Hf       0.20754469       5.93110171      -3.72828657      -0.52112739      -0.16671277      -1.14095317 
Hf       0.20129690       4.95540160      -8.93603774       0.41971471       1.37759750      -0.45494752 
Hf       5.40638854       5.98712121      -3.69277748       0.28234171      -0.78590355      -1.05459684 
Hf       5.45776730       4.97160034      -8.93474659      -0.24408135       1.80334299       0.09203361 
Hf       2.41529462       1.25579104      -1.12790742      -1.51565777      -0.26261598      -0.05555272 
Hf       2.36937544       0.37586858      -6.34040769       0.14804176      -0.80511761      -0.20226040 
Hf       7.55215517       1.16665414      -1.02491569      -0.15632674       0.35867467      -1.64409715 
Hf       7.61191754       0.45025475      -6.31616047      -0.49787444      -0.89629908       0.36763364 
Hf       2.36160693       6.32605172      -1.06871153      -0.12441202       0.21613888       0.71198999 
Hf       2.31269004       5.47312339      -6.37623526       1.03213836       1.15623394      -0.31585971 
Hf       7.61528951       6.40768582      -1.09112324      -0.86497921       0.41331334      -0.12945672 
Hf       7.57952466       5.43871868      -6.29530757      -0.41318116       1.00746934      -0.09637379 
Hf       5.01764947       3.45745959      -1.56304116       0.06506326      -0.28270772      -0.50964352 
Hf       5.02126602       2.59054351      -6.73800698      -0.60700217      -1.05390953       0.11321420 
Hf      10.12736412       3.49669164      -1.49823953       1.16048798      -1.21292912      -0.67823714 
Hf      10.18435489       2.57008138      -6.78133723      -0.41075444      -0.71094662       0.27202446 
Hf       4.89890450       8.60162609      -1.57854654       0.93995309      -0.16229201       0.91926546 
Hf       5.00422240       7.73226674      -6.80453774      -0.61667812      -0.64282608       0.28856002 
Hf      10.22928917       8.52516661      -1.54886033      -0.80553794       0.77814610      -0.19072060 
Hf      10.12719486       7.73876301      -6.75040523       0.21355285      -0.02199425      -0.87007484 
O       1.42955300       1.43416025      -7.95791612      -0.22821715       0.58010572      -0.44684143 
O       6.54671635       2.25977252      -2.74078016      -0.25238160       1.08712466       0.91612083 
O       6.73028543       1.57826115      -7.90327391      -1.78814385      -0.14435516      -0.30701762 
O       1.25375305       7.45430485      -2.88223333       0.17529552       0.99126834       1.38766050 
O       1.42395575       6.66188045      -7.94423932      -0.94544958      -0.69049501      -0.93577326 
O       6.45139952       7.57183471      -2.72796525       0.06165146      -0.26087060       0.00771254 
O       6.56219705       6.63661735      -7.96805674      -0.47442212      -0.49219655      -0.22815673 
O       3.90461707       1.40969539      -5.13974455      -0.20541547       0.40238065      -0.03632712 
O       4.01064483       0.52429816     -10.41546033      -0.35731637       0.02351943      -0.11871429 
O       9.08282693       1.45341011      -5.14416624       0.28773537       0.20939307       0.54976287 
O       9.16713825       0.53626762     -10.44855565      -0.14143119       0.04223914       0.91943821 
O       3.91632817       6.59882610      -5.11185594       0.06953055       0.21656676       0.27106459 
O       4.01449392       5.73029126     -10.33006600      -0.16151545      -0.49311656      -0.80084882 
O       9.14043841       6.63535030      -5.11799951      -0.42095220      -0.37660089       0.08325614 
O       9.23505951       5.62882990     -10.46410397      -0.72332628       0.05982074       0.69582997 
O       3.75780968       1.94130743      -2.50166672       0.64946218       0.56305293      -0.75710088 
O       3.93037128       0.92098379      -7.76199242      -0.03118604       0.64480627      -0.12279118 
O       9.04164323       1.81490953      -2.40833889       0.53542107       0.76077949      -0.98286272 
O       9.08553911       1.00537636      -7.71680704       0.50692893      -0.23215802      -0.65508412 
O       3.70841775       6.99483562      -2.43073684       1.36427680       0.82096355      -0.90964220 
O       3.87950476       6.11719298      -7.75022211       0.10931306      -0.19234737       0.18441186 
O       8.99921768       7.03478906      -2.55057698       0.04574128      -0.29148933       0.22506470 
O       8.99122318       6.16935321      -7.67803689       1.00160313      -0.32874850      -1.18194245 
O       1.37376158       2.79595671      -0.18881123      -0.91817373       0.49941957      -0.01861637 
O       1.18370438       1.98410478      -5.27108628       0.40498409      -0.36097163      -0.41502796 
O       6.48298456       2.78539798      -0.04267007      -0.12003880       0.48968292      -0.50770141 
O       6.42318603       1.96405981      -5.26922453      -0.11886864      -0.03746424      -0.86167419 
O       1.28453752       7.98277307      -0.10594471       0.47964883      -0.83227534      -0.40610811 
O       1.18166446       7.04079208      -5.47334950       0.75554943      -0.11671204       1.19189351 
O       6.52817798       8.00120560      -0.07692466      -0.68343033      -0.54300028      -0.86033831 
O       6.49802119       7.03841989      -5.39759387      -0.43329838       0.42707858       0.66005907 
O       3.49198271       4.61633932      -0.88333315      -0.25934307       0.42078916       0.57141360 
O       3.37607543       3.69835949      -6.11362561       0.28939343      -0.01506751      -0.40581273 
O       8.66013342       4.64629183      -0.83336297      -0.27459023       0.48521528      -0.03213456 
O       8.68463145       3.78474179      -6.04666170       0.31666502      -0.65912374       0.12537421 
O       3.48399704       9.83908370      -0.84464039      -0.03941710      -0.38963458       0.28955939 
O       3.46155712       8.90672635      -6.02741108       0.04863876       0.17841709      -0.48787985 
O       8.59974481       9.74591546      -0.84890751       0.64243965      -0.31824097      -0.00650772 
O       8.76176307       9.01629227      -5.97529416      -0.75783431      -0.02049295      -0.26123081 
O       0.88256236      -0.05366446      -1.81343853       0.61271349       0.85506588      -0.13658273 
O       0.81051917      -0.82065166      -7.11044194       0.55532473      -0.05569850       0.51156984 
O       5.99268836       0.02528701      -1.90597788       0.31024470      -0.44410783       1.49607806 
O       6.04275722      -0.80440935      -7.10629925       0.82615619       0.15035586       0.65642172 
O       0.88853564       5.23412136      -1.82614162      -0.61888405      -0.82211217       0.24308848 
O       0.80042760       4.29938219      -7.09338080       0.34126345       0.06779425       0.46547067 
O       6.10196299       5.12490537      -1.83135600       0.38710348       0.90028483       0.26156287 
O       5.99473650       4.30600145      -6.95308637       0.39675016       0.42948250      -0.73899468 
O       1.59958124      -0.46398947      -4.57223675      -0.04270949       0.21228920       0.50528615 
O       1.68340214      -1.32205551      -9.61988340       0.63522935      -0.03668051      -1.05833997 
O       6.93961174      -0.33231198      -4.38415553      -0.28707077      -0.50500685      -0.48184080 
O       6.81016009      -1.33705594      -9.72832179       0.69544393      -0.48282782       0.04678565 
O       1.68647642       4.76811087      -4.46644158       0.15382765      -0.42612499       0.08007036 
O       1.72267080       3.78486011      -9.61323611       0.47647552       0.26870202      -0.82812835 
O       6.88982415       4.70287367      -4.40132293       0.23562723       0.46921254       0.05287302 
O       6.99830724       3.90262595      -9.70626447       0.08699053      -0.72523613       0.41556297 
O       4.35459923       4.27653743      -3.54581770      -0.56152410      -1.16718262       0.81366083 
O       4.39247976       3.24769660      -8.71890013       0.28153978       0.13299171       0.07735401 
O       9.47843959       4.20484095      -3.42389624       0.67414810       0.12011538       0.74012035 
O       9.56614927       3.21622463      -8.73887655       0.09877645       0.60510544       0.05892694 
O       4.11941574       9.45734499      -3.46119138       0.62441434      -0.91489946       1.08177184 
O       4.31988671       8.41640021      -8.69085622       0.42148113       0.85863589      -0.14156061 
O       9.52126039       9.32641134      -3.44944186      -0.09065783      -0.29755480       0.66014730 
O       9.41840561       8.50842487      -8.69799746       0.16680633      -0.11855548       0.10504358 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0057199617326983785 0.0019518221707907225 0.0027095537118949826 0.0019518221707907225 -0.011669144816671138 0.003306068969696453 0.0027095537118949826 0.003306068969696453 -0.00235853965220961" pbc="T T T" energy=-961.54604653 free_energy=-961.54604653 config_type=crystal 
Hf       2.83440432       2.94381000      -4.19654829      -0.40255981       0.23383620       0.87715427 
Hf       2.86086746       2.16032229      -9.49548916      -0.59672716      -0.77616768       1.31520216 
Hf       7.99208015       3.06532785      -4.14997600       0.53763798      -0.58979086       0.09110475 
Hf       7.95737532       2.11729055      -9.50611187       0.45715585      -0.22951726       0.92269911 
Hf       2.81126835       8.13292984      -4.27337992      -0.46824205       1.48027645       1.27004082 
Hf       2.80277501       7.28891415      -9.35175527       0.08137763      -1.46592988      -0.61199243 
Hf       7.97728520       8.14641256      -4.12610113       0.59587183      -0.07497562       0.79762693 
Hf       7.96348336       7.35002419      -9.39101769       0.01998011      -1.43079559      -0.35697113 
Hf       0.21815785       0.76923293      -3.79038283       0.32896223       0.39711393       0.22757862 
Hf       0.30778475      -0.14446674      -8.96419338      -1.25858466       0.73995411      -1.38732674 
Hf       5.44541168       0.72347057      -3.73587997       0.06957021       0.84218179       0.50830757 
Hf       5.42394408      -0.14400787      -8.86547045      -0.98875058       0.63466777      -0.72986445 
Hf       0.19887658       5.94564006      -3.70690003       0.16455313      -0.29528798       0.90859154 
Hf       0.15018309       5.07253288      -8.94829150       1.30741247      -0.51065339       0.25373070 
Hf       5.38060491       5.93526060      -3.66225826       0.55172427      -0.47528075       0.80438977 
Hf       5.49805276       4.97865671      -8.94221061      -1.17220674       1.77495375      -0.39934979 
Hf       2.37097170       1.22541084      -1.13775372       1.60147328       0.37265384      -0.32392446 
Hf       2.34891186       0.32776162      -6.39582326       0.39963219       0.16869975      -0.40729303 
Hf       7.59202553       1.25669989      -1.07866808      -0.00219839      -0.20154297      -0.64428858 
Hf       7.63580037       0.29056565      -6.31018091      -0.36535841       0.88618760      -0.73160261 
Hf       2.36816424       6.40683049      -1.07582410       0.08077886       0.25463868       1.28369981 
Hf       2.36173026       5.40563022      -6.30814800       0.07021867       0.18081014      -0.34140606 
Hf       7.68156920       6.46275169      -1.09701575      -1.20380794      -0.04743671       0.52556484 
Hf       7.57856709       5.47865709      -6.28097774      -0.32718023       0.25492304      -0.19828303 
Hf       5.01633322       3.50643131      -1.54620348      -0.44924090      -0.96056151       0.09706013 
Hf       4.95814612       2.57505712      -6.79514214       0.46745049      -0.73578292       0.16437775 
Hf      10.13924417       3.50551115      -1.47366554       0.77046043      -0.34126227      -1.14403038 
Hf      10.12728328       2.56063966      -6.83339650       0.37280362      -0.43270007      -0.58053967 
Hf       4.93000961       8.58449804      -1.54143275       0.46732513       0.89355172       2.03121429 
Hf       4.94448662       7.66255638      -6.81413948       0.45273874      -0.11512842       1.04472769 
Hf      10.25197586       8.66476900      -1.50654035      -0.58027753       0.48901882       0.18804377 
Hf      10.14522358       7.69123175      -6.79424203       0.23002850       0.30427549      -0.59885758 
O       1.34957339       1.42187142      -8.00894802      -0.35367226       0.52841770      -1.08038887 
O       6.53692173       2.37369315      -2.75868733       0.20053451      -0.29899428       0.49425027 
O       6.54584813       1.39419108      -7.97139593      -0.49163727       0.64197904       0.06112293 
O       1.47809313       7.59211506      -2.70727742      -0.52825194      -0.43831265      -0.20419818 
O       1.39537433       6.52461183      -7.91735709      -0.83556597       0.74549482      -0.15195731 
O       6.66743277       7.50611445      -2.61832066      -1.06145373      -0.09546908      -0.77836650 
O       6.52317713       6.62182769      -7.90453587       0.01500622       0.06019027      -0.11424752 
O       3.94847398       1.43837037      -5.11540377       0.29389811      -0.66940234      -0.40703242 
O       4.01995786       0.44656319     -10.38607444       0.06358834       0.74241240       0.17002155 
O       9.18798814       1.44873877      -5.25758705      -0.53524360      -0.44312354       0.91936011 
O       9.20597364       0.51279747     -10.46481066      -0.60884738       0.59789769       0.56148257 
O       3.93573880       6.63218664      -5.05886799      -0.33303071      -0.76552112      -0.62956525 
O       3.93678718       5.72320288     -10.27367219      -0.04669818      -0.35052376      -0.35942869 
O       8.99174747       6.50353114      -5.00451465       0.96027859      -0.07783623      -0.55335919 
O       9.15468642       5.68998121     -10.33514041      -0.64030275       0.31601171      -0.56251957 
O       3.79474292       2.05261949      -2.51776443      -0.27267573      -1.41581152       0.00690682 
O       3.78803889       0.97541146      -7.81993350       1.04506990       0.45919067       0.47646244 
O       9.16183255       1.92543886      -2.51752596      -1.03454037      -0.50315427      -0.34031643 
O       8.97080885       0.96558516      -7.90135997       0.73389067       0.14087705       0.71649348 
O       3.95892163       6.96309986      -2.29179195       0.05879455      -0.57164221      -1.79500423 
O       3.89021487       6.05757563      -7.71505313      -0.23979259       0.24663610       0.81142170 
O       9.16520462       7.10822354      -2.41632185       0.11124335      -0.66569043      -0.72764327 
O       8.99892665       6.21484670      -7.78733926       0.52399354      -0.53816205       1.00972835 
O       1.33504007       2.75262463      -0.27268686      -0.48695954       1.07998450       0.84128659 
O       1.25675377       1.78921443      -5.52292433      -0.23732692       1.36365928       1.64754031 
O       6.49187803       2.85227048      -0.10257181       0.07536134      -0.48256976      -0.01993419 
O       6.51300140       1.83942619      -5.27948990      -0.41857443       0.60033366      -0.99485307 
O       1.25156392       7.96349248      -0.05621530      -0.09100239      -0.02389837      -0.23905901 
O       1.11882634       7.06904885      -5.34576350       0.85297714      -0.26168050       0.09586816 
O       6.42350085       7.99318022      -0.08341528       0.40476130      -0.01616865       0.01602957 
O       6.41121454       7.02260807      -5.22722586      -0.17285152       0.40083799      -0.83465872 
O       3.39804467       4.60079453      -0.81924483       0.58327545       0.49615907      -0.56102951 
O       3.42146856       3.67683890      -6.07374985       0.25494017       0.51884578      -0.38738893 
O       8.52305924       4.60783560      -0.97061286       0.72510780      -0.18626348       0.97674736 
O       8.62914000       3.71442453      -6.08221090      -0.27250714       0.81371830       0.43403813 
O       3.38394120       9.75076167      -0.75840433       1.04729196      -0.30681433      -0.92471450 
O       3.47354513       8.93326211      -6.12120556      -0.00689800      -0.84023361       0.49324300 
O       8.65510160       9.82219751      -0.75417963       0.35771721      -0.16970384      -0.49629022 
O       8.66833655       8.79442738      -6.03230299      -0.02720878       0.66115888      -0.20102399 
O       0.88057303       0.14395304      -1.80729023      -0.94468512      -0.95528164      -0.70920848 
O       0.86437415      -0.84194991      -7.16234003      -0.24928674      -1.39320059       1.01205904 
O       6.09003867       0.02421646      -1.82773424      -0.07958083       0.36885244      -0.16225196 
O       6.07193047      -0.86503754      -6.90038614      -0.44973630      -0.40267064      -1.21751439 
O       0.80258171       5.31085115      -1.69735520      -0.26348368      -0.48994157      -0.64012677 
O       0.89774497       4.25047278      -7.00072374      -0.87152828      -0.13489241      -0.24038055 
O       6.11703245       5.12881426      -1.73437270      -0.27186939       1.21225148      -0.93727611 
O       6.13845100       4.24549793      -7.07834176      -0.24892809      -0.36824442       0.44692981 
O       1.65729798      -0.47772961      -4.53301843       0.10465244      -0.05527576       0.18450563 
O       1.74075303      -1.30307203      -9.72845346      -0.40717736      -0.02817754       0.52633943 
O       6.94118514      -0.41902569      -4.44328842       0.20269953      -0.39760719       0.36439036 
O       6.83549070      -1.31637552      -9.67458504       0.12603037       0.51313644      -0.22265391 
O       1.72978213       4.73388647      -4.38776584       0.11786998       0.16975791      -0.02447636 
O       1.71254609       3.84677476      -9.58827916      -0.00999992      -0.00744619      -0.65650290 
O       6.90730364       4.77156620      -4.38876486       0.42119075      -0.75440193      -0.12042712 
O       6.94654300       3.90122746      -9.75148282       0.51400457      -0.98690214       0.43685374 
O       4.38059980       4.14513398      -3.52915012       0.24951253       1.13948118       0.23878740 
O       4.31830250       3.36372962      -8.63072199      -0.10598440      -0.93396653      -0.38040095 
O       9.59030026       4.18116980      -3.43149667      -0.20448820       0.46870820      -0.34579785 
O       9.42689043       3.39332155      -8.66091768       0.02081214      -0.51751599      -0.45969760 
O       4.33639305       9.29765910      -3.44036043      -0.51511628      -0.32428483      -0.28660891 
O       4.24502391       8.42338198      -8.61829760       1.17923178       0.90996397       0.27927110 
O       9.49908147       9.34750745      -3.38235435       0.03453801       0.22368018      -0.26471279 
O       9.47904919       8.47216049      -8.75921954       0.79591556       0.26043277       1.01409109 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005341866195579927 -0.004023779985493095 -0.0011173252104416179 -0.004023779985493095 -0.006183108435980993 -0.000376397384764535 -0.0011173252104416179 -0.000376397384764535 0.002089645852108542" pbc="T T T" energy=-962.05174061 free_energy=-962.05174061 config_type=crystal 
Hf       2.88667425       3.07314613      -4.20632213      -0.67735791      -0.24339081      -0.83739857 
Hf       2.84723893       2.08025743      -9.36090873       0.05422167       0.16228917      -0.00932678 
Hf       8.03756346       2.92472718      -4.16350841      -0.33528041       0.87069336      -0.32644127 
Hf       7.99869399       2.10739904      -9.37417969       0.00350571       0.89519773      -0.33599424 
Hf       2.77870246       8.21273183      -4.10317237       0.13685083      -0.53270007      -1.35608686 
Hf       2.82194085       7.22166456      -9.45053984      -0.67699598       0.64428489       1.28361030 
Hf       8.03503394       8.21630635      -4.13152773      -0.05816002      -0.37404915      -0.25366139 
Hf       8.05992587       7.20928088      -9.38024472      -1.42757193      -0.27869583      -0.20484966 
Hf       0.26382247       0.83461910      -3.65674220       0.35304037      -0.43790970      -1.13712547 
Hf       0.17042463      -0.11108203      -9.08149447       1.56381672       0.17728327       0.88537238 
Hf       5.36665044       0.79588838      -3.67241873       1.05605328       0.10700559      -0.64753473 
Hf       5.40776047      -0.07935670      -9.04748213       0.37180853      -1.23030632       1.30728248 
Hf       0.24418378       5.89356833      -3.71608689       0.65705082       0.72161970      -1.12893393 
Hf       0.24901485       4.92615328      -8.94016814      -0.18366839       0.08363226      -0.39368292 
Hf       5.42128998       5.95646725      -3.73436641       0.12520661       0.27913796       0.11284071 
Hf       5.39109672       5.05004793      -8.95382457       0.27624796      -0.29132896       1.16281844 
Hf       2.42896015       1.22424459      -1.16231353      -0.98138223       0.78386919       0.93825451 
Hf       2.35067582       0.32375554      -6.32094706      -0.13654454      -0.33573890      -1.43846411 
Hf       7.59197774       1.19742904      -1.10000506      -0.38521934      -0.14158626       0.14941804 
Hf       7.53630550       0.34255270      -6.35073680       1.02981030       0.03286421       0.15616952 
Hf       2.38797719       6.36812485      -1.10500901       0.57233216      -0.46176683       1.37100564 
Hf       2.35256987       5.55495115      -6.40038986       0.35317244      -1.11112258       0.91203624 
Hf       7.50528548       6.35481437      -1.08617610       1.12238602       0.78384006       1.32949447 
Hf       7.57414113       5.47981508      -6.26150808      -0.12595005      -0.14389541      -0.77118949 
Hf       4.96664808       3.50730074      -1.50362644       0.76326991      -0.10409337      -0.33101298 
Hf       5.01989897       2.53210125      -6.77373932      -0.65951585       1.27449718      -0.04716796 
Hf      10.16983092       3.48641549      -1.58908030       0.46865132      -0.06095550       1.13476619 
Hf      10.15177871       2.54097975      -6.74022670       0.11387995      -0.75731427      -1.37289064 
Hf       4.96367822       8.61497248      -1.50685621       0.45219289      -0.29298892       0.77524127 
Hf       5.00251039       7.75519853      -6.79285185      -0.67288805      -0.51211724       0.10102127 
Hf      10.11310240       8.60700397      -1.55543843       0.41708399       0.05480843       0.92820069 
Hf      10.13351652       7.71217038      -6.84413881       0.95175001       0.67051287       1.06723119 
O       1.32086823       1.41363667      -8.11533196      -0.31213690       0.00365559       0.95806273 
O       6.63485067       2.30829194      -2.68149302      -0.67278656       0.28319345      -0.55039080 
O       6.49051784       1.45372951      -7.94097836       0.20189478      -0.08737837      -0.80324538 
O       1.29901702       7.50915727      -2.79158273       0.26194172       0.05537739       0.94005199 
O       1.29191110       6.53104637      -7.94907599       0.18308503       0.39934691      -0.53579694 
O       6.50231623       7.53611068      -2.66505246       0.25882626       0.13604673      -0.63687620 
O       6.49507959       6.59389102      -8.00991806       0.45281084       0.53196584       0.90949440 
O       3.97196239       1.45000952      -5.18986237       0.12372011      -0.00752453       0.74396806 
O       4.01501343       0.52125604     -10.39723625      -0.44546789      -0.34045082      -0.16500160 
O       9.12108400       1.44216648      -5.19160935       0.48814708      -0.28618785       0.65939038 
O       9.08076788       0.52445759     -10.45621730       0.64343930       0.02084026      -0.28984430 
O       3.92956749       6.71616157      -5.07902071       0.57549557      -0.59309136      -0.06448038 
O       3.84619493       5.62403899     -10.28341064       0.68589096       0.26591100      -1.01735904 
O       9.16153778       6.55599906      -5.10216201      -0.03836425       0.41615154       0.10869553 
O       9.07676450       5.65054144     -10.34950017       0.81176824       0.31715884      -0.06345313 
O       3.83428817       2.06352252      -2.53725688       0.09115461      -1.09370984       0.01485308 
O       3.85807925       0.98268620      -7.75121809       0.12329092      -0.35507223      -0.27944732 
O       9.12582644       1.83087904      -2.57631475      -0.12398293       0.63851145       0.46491185 
O       9.00003966       0.99672894      -7.86633443       0.05547226      -0.34560767       0.83176969 
O       3.90848205       7.03093598      -2.38271462      -0.56973873       0.05613376      -0.84632926 
O       3.86163626       6.07490164      -7.73182949      -0.15249265       0.62621852       0.15720806 
O       9.02913924       7.08211235      -2.46860689      -0.07429225      -0.69058362      -0.34457853 
O       9.02364007       6.15067006      -7.71305172       0.04545976      -0.07909089      -0.34662244 
O       1.37129441       2.82147126      -0.23698697      -0.92277819      -0.26851810      -0.34418023 
O       1.28132630       1.83537693      -5.31660128      -0.52573460       1.12769365      -0.02118696 
O       6.48403118       2.82291325      -0.09249892      -0.24039094       0.19307676      -0.16285922 
O       6.54964610       1.93104602      -5.38459362      -0.72694965       0.17975763       0.71019010 
O       1.27394295       7.80903424      -0.03955633      -0.56851827       0.86797980      -1.28352651 
O       1.27462372       7.11328465      -5.38279634      -0.31598577      -0.46510945       0.01091471 
O       6.41415208       7.94963694      -0.00395935      -0.40034923      -0.00247332      -1.48129868 
O       6.54421956       7.13828897      -5.33752422      -0.71014919      -0.49890068       0.03492352 
O       3.58892229       4.61889701      -0.70051072      -0.75641357       1.24050669      -0.44701161 
O       3.53561031       3.85816169      -6.02998656       0.24788866      -0.73698805      -0.28209101 
O       8.72567509       4.70703358      -0.73604880      -0.08444758      -0.24184630      -0.73373455 
O       8.67419315       3.74931496      -6.11025492      -0.02044576       0.12090551       0.88719939 
O       3.45951127       9.83452563      -0.77605718       0.64192397      -1.14964944      -0.31884028 
O       3.38012817       8.89113005      -6.13790832       0.85731515      -0.31083820       0.47384256 
O       8.54643938       9.70434616      -0.85910631       0.67508757       0.04708713      -0.18101757 
O       8.70286735       8.95520976      -6.08563598      -0.32520922      -0.45665585       0.60851641 
O       0.85208066       0.10396750      -1.74101694      -0.11325123      -0.55322879      -0.46865015 
O       0.84847118      -0.84670313      -7.05976171      -0.43712835      -0.00674248      -0.69288515 
O       6.00023535       0.00942212      -1.87958518       0.71359830       0.79419018       1.00997851 
O       6.06498279      -0.83405409      -6.96092905      -0.57826146      -0.20951294      -0.95156677 
O       1.06005696       5.11162962      -1.88679678      -1.03274881      -0.52605266      -0.26466796 
O       0.89203083       4.11287797      -7.10061623       1.10278496       1.78962755       0.37760314 
O       6.06475908       5.20738691      -1.81939646      -0.19588459      -0.48560792       0.11121471 
O       6.12752228       4.27786356      -7.00206540      -0.33907380       0.01685659      -0.03401520 
O       1.71404665      -0.42215321      -4.48646210      -0.32810175       0.09930016       1.06986819 
O       1.71245974      -1.32655402      -9.69221983      -0.10655906       0.17592491      -0.19369316 
O       6.93995992      -0.36449202      -4.35100969      -0.22898098       0.12663559      -0.48183264 
O       6.93108588      -1.32482257      -9.75199431      -0.55745075       0.45587690       0.50448934 
O       1.75141161       4.70949955      -4.54187337      -1.34909069       0.83221349       0.67605196 
O       1.75969548       3.75210042      -9.65427271      -0.29721283       0.45517748      -0.58214703 
O       6.94474091       4.72778627      -4.34461767       0.08149934       0.02325151      -0.42238671 
O       6.98719669       3.92490450      -9.54419781      -0.09454931      -0.94451013      -1.06609632 
O       4.27793236       4.29890116      -3.47897853       0.81359462       0.25519226       1.02579229 
O       4.32070775       3.31951472      -8.58964339      -0.05237506      -0.31154009      -0.44338575 
O       9.54170475       4.23208119      -3.41240997      -0.50435890      -0.72021814      -0.08802369 
O       9.53705561       3.28740733      -8.71833667      -0.38217869      -0.60241282       0.46823606 
O       4.24636571       9.42840102      -3.36300650      -0.35709355      -0.39765693      -0.34999227 
O       4.36777111       8.34208025      -8.72048246       0.45094489       1.10671685       0.02902091 
O       9.52797294       9.39589471      -3.38874627       0.00049511      -0.20245791      -0.10128860 
O       9.50695451       8.49242730      -8.78487930      -0.12805283      -0.80363936       0.60009195 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0029823508706637598 -0.00150414939820847 0.0009647561510591731 -0.00150414939820847 -0.0076735559365865395 0.0029296155798705314 0.0009647561510591731 0.0029296155798705314 -0.010741773794830798" pbc="T T T" energy=-961.83738409 free_energy=-961.83738409 config_type=crystal 
Hf       2.82469864       3.04890039      -4.11008585      -0.38213202      -1.08455385      -0.26469270 
Hf       2.87360898       2.06694251      -9.47358484      -0.27326407       1.12306463       0.97644330 
Hf       7.98581761       2.99194495      -4.14318747       0.15193097      -0.03810769      -0.01120687 
Hf       8.01011957       2.19828857      -9.39758213       0.55463012      -1.01028232       0.40759602 
Hf       2.85590204       8.09021069      -4.22292282      -0.57695640       0.70599799       0.82691712 
Hf       2.78058207       7.29090862      -9.38327802       1.66425360      -1.23076043      -1.57248494 
Hf       7.98135997       8.19729589      -4.11338692       0.03660067      -0.80276300       0.26344396 
Hf       8.01314751       7.20239409      -9.38169254       0.91185073       0.19596022      -0.47696821 
Hf       0.19598372       0.81243486      -3.75748072       1.36300054       0.00305563       0.76302758 
Hf       0.23299333      -0.09672168      -8.95603705      -0.66015071       0.34414799       0.04203877 
Hf       5.37949959       0.74577247      -3.71239520      -0.70045902       0.76646746      -0.84933184 
Hf       5.52577604      -0.11336420      -8.99359806      -1.00157176      -0.00638936      -0.08386321 
Hf       0.13960369       5.87495425      -3.66492310       0.82401345       1.22652710      -0.56358154 
Hf       0.30632107       5.04626831      -9.02198629      -0.64604481      -0.43460479      -0.73687412 
Hf       5.37058451       5.90984095      -3.67408182       0.75506794       0.31654851      -0.60596695 
Hf       5.41105025       5.06366943      -9.01817394      -0.66597619       0.28201937      -0.20311699 
Hf       2.40955980       1.19742531      -1.03876575      -0.08066609       0.42572640      -1.37735995 
Hf       2.33239264       0.33063467      -6.33195566       1.95824849       0.76598410       0.65745725 
Hf       7.55414511       1.20677885      -1.08682651       0.44026721      -0.19405161      -0.49394273 
Hf       7.56192443       0.34003335      -6.26122666      -0.12688730       0.61376669      -1.52999569 
Hf       2.38646166       6.33240357      -1.17904223       0.16155724       0.22481064       0.89178815 
Hf       2.36247660       5.43886499      -6.35301920      -0.30181649       0.50990797      -0.44023413 
Hf       7.60340207       6.33213152      -1.06121359      -0.79062313       1.09911680      -0.65428404 
Hf       7.54991294       5.51017559      -6.24718265       0.58799485      -0.53855918      -0.96025570 
Hf       5.00987056       3.41931500      -1.53150896      -0.31159340      -0.24640585      -0.72255621 
Hf       4.92165135       2.64515722      -6.80807182       0.19596917      -0.89853801       0.50120643 
Hf      10.15751187       3.46563913      -1.51741087       0.06881009      -0.47500284       0.05609289 
Hf      10.17325919       2.58707832      -6.77140084       0.29602585       0.41458431      -0.47346541 
Hf       4.96265893       8.59114325      -1.57459748       0.27434299      -0.24346853       1.20823034 
Hf       5.02704448       7.74972196      -6.86179712      -0.87805217      -0.31246938       0.18049930 
Hf      10.18215318       8.69919872      -1.53394037      -0.00823489      -1.17988550      -0.08625140 
Hf      10.17868178       7.76000389      -6.76301633      -1.01202346      -0.91806491      -0.39356250 
O       1.38407904       1.50989995      -8.00302464      -0.18701928      -0.60891927       0.09513877 
O       6.47430877       2.27164128      -2.79416430       0.71877023       0.68349387       0.45491597 
O       6.64918263       1.44286165      -8.02217392      -0.53842106       0.12707585       0.06393779 
O       1.33949834       7.52919183      -2.75569971       0.13776455      -0.46083548      -0.79749337 
O       1.33850440       6.64649563      -8.15436327      -0.80725352       0.01853011       1.61929745 
O       6.53250242       7.45171341      -2.71988127      -0.16322013       0.12404906       0.03145835 
O       6.51721310       6.65329199      -8.03012056       0.39310338      -0.16123464       0.80418030 
O       3.89296934       1.45475678      -5.09781781       0.12248555       0.15232224       0.02828693 
O       4.02397049       0.48753369     -10.35505991      -0.90545109       0.22288962      -0.10137518 
O       9.07774597       1.39919559      -5.09242187       0.01261943       0.30374690      -0.53806395 
O       9.19485239       0.47884658     -10.35143102      -0.56008528       0.69929480      -0.43618245 
O       3.84653469       6.49932467      -5.15674573       0.86118134       0.09679619       0.13077112 
O       3.97574071       5.71296850     -10.38593090      -0.40392731      -0.22138703      -0.60534860 
O       9.07732922       6.58977578      -5.02249554      -0.48340297       0.24547377      -0.55325951 
O       9.13929351       5.63739479     -10.41918993      -0.03786884       0.66547481       0.81439872 
O       3.82724802       1.86003146      -2.49343164      -0.34776274       0.53600913       0.12862586 
O       3.89702810       1.02633256      -7.67329283      -0.30897557      -0.43807522      -0.78463421 
O       9.05578546       1.90301456      -2.59353571      -0.12772535      -0.08910067       1.07000776 
O       9.16802662       0.97536917      -7.66431115      -0.29930162       0.13499427      -0.21489059 
O       3.89029810       6.99643233      -2.54071420      -0.24426746      -0.14650242      -0.14448166 
O       3.83490369       6.16964646      -7.79710638      -0.04261376      -0.42518609       0.73557261 
O       8.99999009       7.10573136      -2.40851047       0.76462604      -0.14827963      -0.93204764 
O       9.15661132       6.11317671      -7.72381555      -1.05355402       0.37097138       0.34593157 
O       1.30478446       3.03184978      -0.19339872       0.39435522      -1.75930909       0.36097756 
O       1.25516239       1.95405001      -5.30989340      -0.60097989      -0.63801411      -0.40412694 
O       6.43897855       2.77612153      -0.19888024       0.92243636      -0.02535577       0.83722329 
O       6.45426298       1.94267232      -5.37538544      -0.01024338      -0.09544986      -0.18815948 
O       1.28627280       7.80343457      -0.25554287      -0.56200339       1.69070135       0.73457152 
O       1.18638965       6.93764462      -5.39504863       0.39400163       0.60433522      -0.19027193 
O       6.51133614       8.01393680      -0.09555154      -0.12820642      -0.50382601      -0.41629156 
O       6.45858784       7.09799052      -5.34303073      -0.57882648      -0.53124578      -0.35964268 
O       3.58927712       4.63603522      -0.83367273      -0.60193915       0.18628461       0.20339290 
O       3.42831597       3.79088063      -6.04363774       0.45395284      -0.47311880       0.14317390 
O       8.59233975       4.60520624      -0.76203228       0.78192218      -0.21902645      -0.71370106 
O       8.79619537       3.84346879      -5.93156846      -0.28349444      -0.15892152      -0.42857619 
O       3.48167585       9.77605431      -0.81832235      -0.34835675       0.26364656      -0.26021486 
O       3.52848215       8.89879064      -6.08660403      -0.35066119      -0.01542110       0.09830527 
O       8.75124789       9.89185749      -0.74392024      -0.07716563      -0.64842950      -0.14214086 
O       8.57973840       8.87670155      -6.05907076       0.90734410      -0.31684381       0.02593454 
O       0.88328885       0.08953466      -1.82945329       0.19145895       0.35164571      -0.04879429 
O       0.95018063      -0.88788667      -7.08637072      -0.50230574      -0.22270384      -0.02485894 
O       6.05602812      -0.00273052      -1.87392033       0.91512879       0.32130247       0.74428528 
O       6.00696567      -0.76094761      -7.14124856       0.53486377      -0.98262281       0.81813849 
O       0.91234365       5.14448216      -1.86819362      -0.13859630      -0.18746335       0.44151981 
O       0.94096122       4.26546613      -7.23214309       0.10056654      -0.28949774       1.05590509 
O       6.07759411       5.10337389      -1.83892891       0.47964383       0.60681996      -0.22266569 
O       6.07598060       4.27017028      -7.26151459       1.33755292       0.57528067       2.19893772 
O       1.81457005      -0.45211766      -4.38144816      -1.13891927       0.81120202      -0.82115329 
O       1.70681085      -1.30214239      -9.72590329      -0.53821349       0.78756146       0.37042301 
O       6.76711528      -0.48056515      -4.52764109       0.54347551       0.07244081       0.24297504 
O       6.95756201      -1.33066883      -9.72417574      -0.40212698       0.23942034       0.13783789 
O       1.52558135       4.59541116      -4.43332977       0.70311788       0.42366690      -0.60263632 
O       1.80863398       3.88462839      -9.73330127       0.27056869      -0.98241366      -0.19430593 
O       6.86756627       4.66374903      -4.47687559      -0.38602086       0.74687701      -0.24348137 
O       6.85605704       3.82624863      -9.74116841       0.06868762      -0.09147815       0.06913206 
O       4.34077754       4.21942305      -3.52343244      -0.39752478      -0.62866830       0.83525267 
O       4.29282311       3.30987340      -8.64993134      -0.09969477       0.24470856      -0.74485349 
O       9.42835380       4.27199304      -3.30370455      -0.95140804      -0.60148892      -0.28007312 
O       9.49014727       3.34415624      -8.73158116       0.14457666      -0.17687591       0.75680421 
O       4.35112098       9.32192795      -3.40462463      -0.99104852      -0.79203192      -0.61133227 
O       4.33596954       8.36327279      -8.79007257       1.05985716       1.55864392       0.77311716 
O       9.45515422       9.42196966      -3.43556407      -0.04749090      -0.39385565       0.18531697 
O       9.47516364       8.48487028      -8.66379022       0.52180677       0.12127234       0.45725524 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0024514518680461327 -0.0023767274410099793 0.0016784393337716092 -0.0023767274410099793 -0.0034756837090903583 0.0008431440719222858 0.0016784393337716092 0.0008431440719222858 0.0006726715681707195" pbc="T T T" energy=-961.83603405 free_energy=-961.83603405 config_type=crystal 
Hf       2.82521400       2.96429430      -4.10506604      -0.34928774       0.22596541      -0.06921730 
Hf       2.74966647       2.10194988      -9.37120036       0.16194955       0.04002249      -0.78467281 
Hf       8.00073724       2.96773588      -4.12992145       0.15482979       0.44264149      -1.15872353 
Hf       8.02571011       2.19946631      -9.42171836      -0.08228268      -0.84954591      -0.10474899 
Hf       2.81581390       8.14462543      -4.18116515      -0.26097314      -0.32169521       0.00778598 
Hf       2.77029194       7.30220123      -9.47069077      -0.42003432      -0.46146700       1.24886946 
Hf       8.01803085       8.11010869      -4.18584095      -0.39165260       0.80661100       0.37848916 
Hf       8.10237230       7.26504853      -9.38167920      -1.88102358       0.52418720      -0.54498134 
Hf       0.19944317       0.80326012      -3.67201625       0.51817828      -1.00158924      -0.15882077 
Hf       0.20965891      -0.07321184      -8.90476952      -0.45358510      -0.84652150      -0.54307840 
Hf       5.41356594       0.72681576      -3.72400475       0.57659004       0.17936704      -0.01770527 
Hf       5.39544111      -0.11041292      -8.98339947       0.53534380      -0.18045341       0.31873681 
Hf       0.28159362       5.90273751      -3.74334767      -0.04533425       0.61788962       0.31037527 
Hf       0.17434520       5.00011782      -8.98304644       0.75659877       0.72145944       0.52825974 
Hf       5.41519483       5.89885810      -3.70105362       0.29412686       0.61600833      -0.61054991 
Hf       5.35986017       5.01144044      -8.98264374      -0.84104907       0.88816109      -0.76401219 
Hf       2.40849625       1.29228355      -1.05475636      -0.89484608      -0.02630781      -0.24482540 
Hf       2.41308752       0.29319945      -6.32531499      -0.84897392      -0.66366669       0.53537287 
Hf       7.61693356       1.26972923      -1.05350637      -0.31598964      -1.05811557       0.32892899 
Hf       7.59048621       0.36293508      -6.38104506      -1.06864362      -0.71446593       0.45846302 
Hf       2.38699042       6.37162540      -1.03190425       0.00273775      -0.56174032      -1.10382302 
Hf       2.40012770       5.46978058      -6.38265543      -0.91282785       0.62853385       0.15251482 
Hf       7.58631918       6.48804462      -1.07295461       0.00398474      -0.56823050      -1.30519104 
Hf       7.56086140       5.40357865      -6.41684890      -0.44444760      -0.04869339       1.02126658 
Hf       5.05085062       3.52368452      -1.56109866      -0.84637077      -0.60880291       0.88525055 
Hf       4.87927786       2.61859856      -6.77652166       0.69254736      -1.19802295      -0.03904568 
Hf      10.12623750       3.48763743      -1.55989781       1.38927205       0.56351581       0.64566638 
Hf      10.20525289       2.53498241      -6.71033395      -0.62434879      -0.09755360      -0.82520883 
Hf       5.03437078       8.65421146      -1.53955818      -1.63982592      -1.05001146       0.07883653 
Hf       5.01351745       7.65583536      -6.85624199      -0.56779197       0.44410885       0.44208391 
Hf      10.19590006       8.62713022      -1.55381356      -0.39156087      -0.21720347      -0.35179091 
Hf      10.12690788       7.69671095      -6.77551255       1.30351648       0.24474100       0.44277170 
O       1.35321737       1.36659376      -7.90459194      -0.14681112       1.12085817      -0.38160349 
O       6.59737963       2.37508597      -2.70470141      -0.23155159      -0.37594714      -0.31469365 
O       6.59491194       1.50087101      -8.07353397      -1.34967608      -0.17951534       0.57102684 
O       1.35291969       7.45495215      -2.80242227       0.09735931       0.56019660       0.94690075 
O       1.28794845       6.62300767      -8.01423454      -0.20754350      -0.59853561       0.30887730 
O       6.44856692       7.56657935      -2.84805456       0.41954449      -0.31706516       1.07138865 
O       6.44216951       6.61216819      -8.01881521       0.79430229      -0.28555823      -0.27271688 
O       3.98862821       1.30001783      -5.14221092      -0.92797157       1.12318414       0.04061970 
O       3.89823161       0.59612192     -10.39315625       0.59413401      -0.42986234       0.56760244 
O       9.14527769       1.32511849      -5.25735876      -0.16336210       0.59283525       1.86645522 
O       9.13380515       0.59150293     -10.30762383      -0.34226572      -0.05701831      -0.73821525 
O       3.96628430       6.52455584      -5.24867593       0.42936184       0.20473365       0.90005283 
O       3.87411635       5.66456926     -10.41864820       0.73357881       0.36933602       0.43932593 
O       9.22372899       6.71415358      -5.04516893       0.15590192      -1.75462984      -1.43479706 
O       9.00774437       5.71190335     -10.44668634       1.62018419      -0.56820525       1.01232286 
O       3.82220156       1.84511040      -2.50402967       0.11281724       0.50784046      -0.23346950 
O       3.82667292       0.99414455      -7.71311283       0.67796385       0.42526397      -0.77526233 
O       9.10692078       1.86614778      -2.42175380      -0.12011084      -0.04773865      -1.05456903 
O       8.99747627       0.96100219      -7.74159850       1.10133315       0.51638116      -0.64414991 
O       3.83650546       7.03231918      -2.43279485       0.44262806      -0.21106404      -1.21168873 
O       3.75178861       6.11308404      -7.85766105       0.86183879       0.20681430       0.39691974 
O       9.07846841       7.04861903      -2.58373740      -0.78600343      -0.68526229       1.33973665 
O       9.02506957       6.11066705      -7.73522622      -0.25436949      -0.37735651      -0.12898735 
O       1.25165193       2.91037766      -0.14455420      -0.14123267      -0.57367466       0.11222013 
O       1.20334640       1.93445755      -5.26574590       0.86456966      -0.00843646       0.35591694 
O       6.47807982       2.78085353      -0.19346372      -0.20114875       0.43917802       0.86077831 
O       6.45684757       1.93979918      -5.33007363      -0.12971833       0.06185223      -0.57269112 
O       1.20170848       7.84033679      -0.08005814      -0.30056024       0.84018252      -0.45333316 
O       1.31236907       7.10299432      -5.35771233      -0.07625226      -0.74987589      -0.81201880 
O       6.46342203       8.00265173      -0.12813801      -0.59951307      -0.02355891      -0.19039554 
O       6.56419480       6.91121280      -5.37630918      -1.00105034       0.64817751      -0.35964529 
O       3.51754470       4.65164262      -0.84586129      -0.47395266       0.33595051       0.83700875 
O       3.35380727       3.66484830      -6.04858687       0.65160742      -0.13104216       0.15592048 
O       8.72473674       4.72914342      -0.84938644      -0.94111260       0.11686321       0.34174353 
O       8.63325227       3.69290452      -6.12608781      -0.05422116       0.01773844       0.27848413 
O       3.32358855       9.78734044      -0.80203668       1.58089235      -0.40210593      -0.60844406 
O       3.47113032       8.88428407      -6.15550394      -0.29836247      -0.21620853       0.87187479 
O       8.68213050       9.78153500      -0.78648783      -0.01502593       0.51985842       0.04563414 
O       8.58645812       8.83602325      -6.08927139      -0.13799548       0.70000554      -0.50900727 
O       0.91028928       0.03682002      -1.74627280      -0.36514517       0.40542205      -0.68894075 
O       0.77395520      -0.84886784      -7.05905586       0.54419759       0.06545504       0.75828567 
O       6.07702670       0.02843362      -1.80601368       0.34920096       0.88055906       0.12140254 
O       6.01723689      -0.86910049      -7.08611765       0.48171251       0.50232672      -0.01258739 
O       0.87717956       5.15045003      -1.81198200       0.15972816       0.23137395      -0.17982556 
O       0.88957030       4.21912519      -7.03534123      -0.11253005       0.69459304      -0.27100033 
O       6.10931069       5.22699270      -1.82557311       0.23018752       0.10068965       0.03774836 
O       5.96381934       4.31323003      -7.11393622       0.46790526      -0.15016264       0.50534677 
O       1.66146791      -0.44340858      -4.42221889       0.43190191       0.13336658      -0.15651881 
O       1.66049414      -1.27115862      -9.62241803       0.39947261       0.31315433      -0.55089942 
O       6.88369065      -0.42285607      -4.45361049       0.20808150       0.10884564      -0.22721436 
O       6.96308113      -1.29457849      -9.63462444      -0.33221995       0.23889269      -0.27048417 
O       1.79996774       4.76682814      -4.41615742       0.62098123      -0.64077784      -0.06237427 
O       1.63820186       3.80744398      -9.63369765       0.56398711      -0.48908811      -0.48409717 
O       6.94865628       4.67323677      -4.45021702      -0.07220451      -0.02266052       0.18382746 
O       6.86975488       3.90628957      -9.71108697       0.43472582      -0.74224429      -0.05813250 
O       4.37791796       4.17893174      -3.36999013      -0.60049663      -0.21513198      -1.29566062 
O       4.10215964       3.40394169      -8.64878478       1.16934573      -0.30803222       0.45831405 
O       9.67090412       4.12016850      -3.59278482      -1.03327835      -0.84843302       0.66128718 
O       9.51441765       3.31423232      -8.71405159      -0.19719410      -0.41787163       0.50778284 
O       4.30724411       9.31040648      -3.44040820       0.24904974       0.46226010      -0.00374286 
O       4.22815402       8.50884414      -8.65559294       0.42072115      -0.25774539      -0.60449061 
O       9.45032740       9.31671281      -3.37079815       0.69041591       1.38754089      -0.30846301 
O       9.60348347       8.34426743      -8.72610605      -0.03126101       0.94631611       0.22601578 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0011040314014298717 0.003790145231908255 0.0016927281641682037 0.003790145231908255 -0.0009169276039407303 0.0019133729454055457 0.0016927281641682037 0.0019133729454055457 -0.0025776467877417176" pbc="T T T" energy=-961.78509981 free_energy=-961.78509981 config_type=crystal 
Hf       2.74462624       2.99090990      -4.19061998       0.43104884      -0.24005140       0.61016018 
Hf       2.85051436       2.13752090      -9.39890069       0.34569580       0.13026234      -0.05405261 
Hf       7.95202764       3.03823570      -4.15612860       0.87690142       0.14943085      -0.42760925 
Hf       8.01131467       2.12754757      -9.45357156      -0.88062103       0.84240421       1.26310415 
Hf       2.89850797       8.10416116      -4.20213177      -1.62968365       1.62657271       1.40007812 
Hf       2.84614441       7.27100843      -9.45438263      -0.43364043      -0.15849563       0.59638424 
Hf       7.99800719       8.11350452      -4.14108431       0.13984001      -0.10945621      -0.56089403 
Hf       7.94741778       7.31153007      -9.33831336       1.13420465      -1.24174669      -0.44469357 
Hf       0.15899333       0.72753597      -3.71874837       1.22606582      -0.38487497       0.11365275 
Hf       0.25102714      -0.10392843      -8.96689686      -0.15620953      -0.04611991      -0.81030961 
Hf       5.43117677       0.80333896      -3.78835328       0.59131016      -0.03137516       0.56983885 
Hf       5.46630854      -0.15296425      -9.02528095      -1.25287177       1.97333294       0.25339172 
Hf       0.23743455       6.00247053      -3.70931181       0.04702354      -0.96498225       0.63142084 
Hf       0.22523978       5.09347745      -8.92155418      -0.66956899      -0.87479671       0.28945674 
Hf       5.38406945       5.90372905      -3.64350548       1.11154459      -0.33221530      -0.13340781 
Hf       5.36258908       5.05807148      -8.98099809       0.45565942      -0.88941426       0.62657291 
Hf       2.33858495       1.22943549      -1.10024374      -0.70959178      -0.09323064      -0.81926164 
Hf       2.43654683       0.31462855      -6.37525283      -0.35126027       1.71619065       0.92225539 
Hf       7.59990834       1.22894245      -1.07345454      -0.18452143       0.02763864      -1.12657562 
Hf       7.62897363       0.27481857      -6.35086175      -0.83148163       1.55160325      -0.15352768 
Hf       2.31611801       6.36016007      -1.02608262       0.08781767      -0.32474290      -0.65544602 
Hf       2.41017439       5.45838155      -6.32810741       0.15845864       0.02440282       0.34796837 
Hf       7.63870497       6.45736430      -1.06314275      -1.50026013      -1.26256736       0.50691382 
Hf       7.61173478       5.46501904      -6.35744184      -1.24646717      -0.23371731       0.25187964 
Hf       4.91267912       3.42908659      -1.57027008       0.75506136       0.73176937       0.49163463 
Hf       4.96780036       2.55043821      -6.75578804       1.16936721       0.28864728      -0.81498944 
Hf      10.11458416       3.43683504      -1.54770338       0.29669115       0.08543395      -0.30000370 
Hf      10.19620980       2.54583290      -6.76867825      -0.27081181       0.41607773      -0.22826861 
Hf       4.97155490       8.59834868      -1.54574261      -0.00855922       0.70347908      -0.75083850 
Hf       4.97509310       7.78056207      -6.80709989       0.86310435      -1.21401441       0.35666381 
Hf      10.20346627       8.60148825      -1.46198847      -1.04541864       0.30230911      -0.48377214 
Hf      10.24275821       7.77642106      -6.80538294      -0.97644990      -0.52276508       0.33310211 
O       1.40175730       1.49980565      -8.04579751      -0.54342048      -0.26052123       0.41050298 
O       6.49752162       2.45724956      -2.78387110      -0.50854671      -0.53861488      -0.10922422 
O       6.43979657       1.45285343      -8.07288324       1.23992330       0.18331528      -0.03719586 
O       1.33482187       7.60901963      -2.63362211       0.10387869      -1.34293847      -0.99402177 
O       1.26347431       6.69336813      -8.00069813       0.94328041      -0.06390656      -0.00724273 
O       6.51323830       7.49399496      -2.81038896       0.13058285       0.24035724       0.99232611 
O       6.47106783       6.60757290      -8.02997680       0.17544802       0.37256606       0.08830997 
O       3.93632180       1.43964729      -5.15392401       0.66809032      -0.26664264       0.16620222 
O       3.91596711       0.53561607     -10.41171099      -0.07180406      -0.15251989       0.11225980 
O       9.22102554       1.35017064      -5.12215764      -1.01296831       0.53956697      -0.95015324 
O       9.04486277       0.49257649     -10.36084164       0.81696325       0.36545093      -0.10187874 
O       3.98501052       6.53064759      -5.04382706      -0.60049545       0.71479876      -0.96991054 
O       3.80210797       5.63508919     -10.42247776       1.32504269       0.61731051       0.67939906 
O       9.16449569       6.50259449      -5.09997652      -0.06792907       0.68666412       0.18286973 
O       9.06828914       5.67230021     -10.22608816      -0.01668982       0.43521058      -0.89179348 
O       3.68013474       1.89419294      -2.55989603       0.77827544       0.25119410      -0.00162795 
O       3.94959000       0.90525787      -7.71218048      -0.75823502       0.27439789      -0.50973214 
O       8.98842559       1.80774753      -2.61368633      -0.02736118       0.68038032       1.02505536 
O       9.06734383       0.97585475      -7.73828767       0.28934634       0.02784398      -0.45108549 
O       3.76496901       7.11325257      -2.47265444       0.97989472      -0.35630879      -0.33597004 
O       3.84622652       6.08654410      -7.73038493      -0.26684790       0.84043521      -0.18581569 
O       9.09369736       7.01155729      -2.41776201      -0.12646823      -0.40149346      -0.31430219 
O       9.01361811       6.18268002      -7.67287890       0.66132515       0.37269591      -0.52097408 
O       1.21139182       2.72887265      -0.17033629      -0.21196173       0.42539405       0.28582262 
O       1.31718009       1.96268921      -5.36332384      -0.37134982      -0.23742609      -0.19071892 
O       6.42750901       2.75092684      -0.18948642      -0.03495251       0.17828539       0.42721089 
O       6.57966657       1.98135417      -5.44624381      -0.83585568      -0.99482216       0.67788257 
O       1.19179998       7.91286267      -0.08323898       0.43510709       0.28489315       0.56397863 
O       1.25156984       7.10165088      -5.37731661       0.75327851      -0.32582825       0.56044795 
O       6.43188229       7.94200641      -0.14106045      -0.53910365       0.83150806      -0.07736543 
O       6.50187640       7.04039330      -5.42033498      -0.38111918       0.44406483      -0.12734572 
O       3.49234107       4.66994208      -0.74891548      -0.16278748       0.18084998      -0.11545755 
O       3.52043840       3.72837963      -6.02720842      -0.76016957       0.84922827       0.20484049 
O       8.62952776       4.67812795      -0.75423276       0.48755314      -0.28354533      -0.50178331 
O       8.62249624       3.65899390      -6.14305119       0.30124434       0.39693800       0.79877877 
O       3.44506336       9.80732861      -0.84674607       0.88749766      -0.79504452      -0.05313856 
O       3.36370163       8.87785099      -6.09982889       1.71914729      -1.39683155      -0.08861107 
O       8.65170564       9.83108163      -0.83341253      -0.06964557      -1.08644108       0.81014635 
O       8.59960465       8.90167354      -6.10604618       1.52709372      -1.54389881       0.20322774 
O       0.70367618       0.05014986      -1.76450171       1.47416566       1.12073245       0.16902360 
O       0.96356801      -0.78942244      -7.11246708      -1.35710622      -0.97737891      -0.43563731 
O       6.17785007       0.05971104      -1.93588659      -1.09326307      -0.52776521       0.73117101 
O       6.08721791      -0.83996891      -7.12667427      -0.14245022      -0.48024466       0.65210918 
O       0.93085676       5.05004096      -1.77108033      -0.15001957       0.81115311      -0.56118166 
O       0.93059991       4.33985286      -6.98042002      -0.99672860      -0.68258759      -0.81163120 
O       6.08088700       5.21150387      -1.69207666      -0.47073461      -0.03750249      -0.84316382 
O       6.07051094       4.32904144      -7.05107384      -0.31096073      -0.35777101      -0.22217076 
O       1.69848054      -0.41302303      -4.46632670       0.51647202      -0.27711563       0.01269804 
O       1.77597510      -1.34896620      -9.74664027      -0.99032074       0.55573012       1.03361664 
O       6.87357508      -0.50092932      -4.44808613       0.09143093       1.07299058      -0.64661866 
O       6.93083215      -1.31063583      -9.61587743       0.36430460       0.07786298      -1.01926677 
O       1.74226867       4.72763785      -4.42978613      -0.54558772       0.93155110       0.25511768 
O       1.66971802       3.84383906      -9.64231202       0.34796592      -0.21298111      -0.14744787 
O       6.88082511       4.77129322      -4.42951490       0.60285447      -0.51845574       0.12872760 
O       6.83538825       3.87909796      -9.64680186       0.82694609      -0.68550062      -0.24694181 
O       4.31257506       4.22603802      -3.40356407      -0.50686045      -0.47105629       0.07924530 
O       4.24612694       3.34737255      -8.57562994      -0.22123548      -0.23773898      -0.48041868 
O       9.52037316       4.22260112      -3.38744462      -0.29614224       0.07267242      -0.48273775 
O       9.51886075       3.33444068      -8.70147073       0.09863583      -0.36642984       0.49586116 
O       4.37232175       9.40997752      -3.47631600      -0.81168596      -1.07843556      -0.03044904 
O       4.39119437       8.41405387      -8.70851757      -0.77624719      -0.54818820      -0.20932673 
O       9.58371708       9.18351165      -3.45378973      -0.43957018       0.53562202      -0.28143749 
O       9.53208895       8.45097638      -8.71524519       0.35691642       0.41364808       0.34002847 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004600690912790531 0.00011360321804540965 0.003497716523414146 0.00011360321804540965 -0.0023704472844595886 -0.00025143414575532424 0.003497716523414146 -0.00025143414575532424 -0.010079536001428089" pbc="T T T" energy=-961.24436901 free_energy=-961.24436901 config_type=crystal 
Hf       2.83465805       3.10263102      -4.20941235      -0.58863566      -1.23013904       0.36192631 
Hf       2.78464135       2.10240993      -9.47549658       1.08871026       0.49528051      -0.32516439 
Hf       8.02841086       2.97030844      -4.22518854       0.08666575      -0.73427924       0.93125548 
Hf       7.99916914       2.11050901      -9.43218733      -0.50904292      -0.86493211       0.35855964 
Hf       2.90062219       8.17303197      -4.13827981      -0.32793684       0.58947946      -0.10956562 
Hf       2.73050957       7.23280552      -9.37623906       0.88271368       0.52044015      -0.33571844 
Hf       8.06877726       8.10708310      -4.17570358      -0.03742953       0.89750224       0.98248517 
Hf       7.97181523       7.31930799      -9.30414141       1.10295219      -0.31840804      -1.25681700 
Hf       0.31196965       0.81151442      -3.76703541      -1.41512350      -0.12705997       0.40520092 
Hf       0.25539626      -0.07506541      -9.03261571      -0.61318005      -0.44537586       0.40933297 
Hf       5.45694407       0.77375169      -3.66794801      -0.46247345       0.07297775      -1.10981735 
Hf       5.39351839      -0.14719691      -8.89904407       0.27323913       0.87875791      -0.75009313 
Hf       0.28898330       5.94550687      -3.64010549      -1.16757325      -0.31215675      -1.34385113 
Hf       0.19892594       4.97046905      -9.00043394      -0.20110079       0.41717581       0.42034538 
Hf       5.48338623       5.91292907      -3.70501339      -0.61919992      -0.14672394       0.98609630 
Hf       5.38278220       4.98088198      -9.01754601       0.02507690       0.65260015       0.15233760 
Hf       2.33185764       1.23224545      -1.14029927      -0.61497492       0.36473630       0.05185198 
Hf       2.43719799       0.32013422      -6.35606458      -0.40833972       0.15550885       0.40202804 
Hf       7.51440463       1.15947069      -1.05595164       1.93175088       1.09313116      -1.30828325 
Hf       7.56981493       0.31292082      -6.36579905       0.54271650       0.98874484       0.41248799 
Hf       2.39180809       6.33240794      -1.09070563       0.57273804       0.29746950      -1.99476907 
Hf       2.43221937       5.56488338      -6.30717334      -1.46175632      -0.57622496      -0.37691785 
Hf       7.59384103       6.49763468      -1.00370619      -0.83811747      -1.48067664      -1.34977112 
Hf       7.49451064       5.48539486      -6.32596518       1.16428780      -0.79740063      -0.05393127 
Hf       5.00890603       3.43041609      -1.55362224       0.32365364       0.69117615      -0.23620542 
Hf       4.98191132       2.56078138      -6.77190550      -0.44508995       0.29972666      -0.46775862 
Hf      10.04204535       3.50602032      -1.51599917       0.55547104      -1.24337222      -1.55272362 
Hf      10.19553463       2.60753431      -6.80036754      -1.14998449      -0.75320549       0.28369855 
Hf       4.86992015       8.65243456      -1.46837303       0.65996294      -1.05398450      -0.00548214 
Hf       5.00642348       7.65098410      -6.79155892      -0.84275635       1.50156944      -0.04101615 
Hf      10.18507940       8.57662731      -1.53924463       0.03181458       0.79103059      -0.60704811 
Hf      10.12419186       7.70035296      -6.76086277       0.71571654       0.66621798      -0.27266117 
O       1.29945975       1.54853711      -8.11277024       0.17651226      -0.27067626       0.10916212 
O       6.52341673       2.34669839      -2.76282015      -0.93872831      -0.40086618       0.20557958 
O       6.51062524       1.42292145      -7.95670929      -0.00079612       0.60435566      -0.56085037 
O       1.42266818       7.50299007      -2.77242294      -0.17410348      -0.02913867       0.65065036 
O       1.32090189       6.53966802      -8.02368653      -0.36952067       0.20988937       0.30402815 
O       6.57617803       7.45919505      -2.76445856       0.52401640       0.21167582       0.46234293 
O       6.42863283       6.67986105      -8.04839221       0.56571337      -0.40080056       0.57412754 
O       3.91739152       1.49324715      -5.14453659       0.64954065      -0.01992702       0.19045247 
O       4.07710324       0.61852134     -10.41443138      -1.01283030      -0.15325858       0.54392288 
O       9.09330419       1.39479905      -5.10573746       0.32271854       0.04784804      -1.09368384 
O       9.13570106       2.27700608      -0.00718891       0.43514766       0.32475358       1.03796913 
O       3.87744229       6.63814259      -5.13086042       0.82619377      -0.78122890      -0.52069896 
O       3.84643391       5.66376395     -10.44692155       0.55389911       0.24231384       0.62165526 
O       9.05740032       6.51793327      -5.11231828       0.34247748       0.19141606      -0.36222161 
O       9.08969938       5.67212205     -10.36687528       0.37810166       0.09606867       0.50730284 
O       3.65998505       1.85736087      -2.52625174       1.53061981       0.82545580      -0.51243532 
O       3.80872805       1.08784517      -7.75834305       0.48168464      -0.57509352      -0.55852588 
O       8.95515389       1.75451707      -2.56327145       0.62265912       0.66217207       0.46360761 
O       9.07545252       0.91788547      -7.88142030      -0.36660472       0.26279189       0.89388677 
O       3.95820314       6.97330912      -2.60402264      -0.68354571       0.64085834       1.01795455 
O       3.82780878       6.20525428      -7.74483100       0.09511035      -0.55373294      -0.24631218 
O       9.11375208       6.90213598      -2.48720532      -0.03371045       0.70059909       0.38712361 
O       8.98749452       6.16808644      -7.76599976      -0.22665390       0.04441055       0.28528847 
O       1.25518307       2.87702094      -0.29635570       0.62076351      -0.68116523       1.13786527 
O       1.20687162       1.92853353      -5.41179276       0.71337436       0.13509632       0.13971808 
O       6.58026360       2.91000535      -0.15584664      -0.90191387      -0.99244653      -0.20829844 
O       6.44423375       1.95365412      -5.46575799       0.33545104      -0.72499981       1.00783758 
O       1.27463983       7.93828814      -0.14574959      -0.53230650       0.26480885       0.17369529 
O       1.20034849       7.11714005      -5.37706753       0.40129819       0.01232407       0.00757988 
O       6.43731787       7.95868769      -0.05177460      -0.33991207       0.63662934      -0.48257329 
O       6.43662525       7.12350353      -5.39644300       0.35522420      -0.98475908       0.39047196 
O       3.50405031       4.66274516      -0.96386277      -0.17314987      -0.26759445       1.26153523 
O       3.47649691       3.82653923      -6.11047984      -0.19641790       0.03124446       0.11873205 
O       8.66387465       4.69819746      -0.70318375       0.52373280       0.67401854      -0.65342385 
O       8.65322190       3.77290153      -6.02685486       0.18618326       0.09879041      -0.77024997 
O       3.47439391       9.90522938      -0.70379835       0.73638318      -1.23748802      -0.42328403 
O       3.64505420       8.97845829      -5.95902392      -0.20095094       0.11080213      -0.18550094 
O       8.74314720       9.75071968      -0.82040955      -1.23844569       0.31224500       0.69504446 
O       8.73029305       8.97149265      -5.98131467       0.27781260      -0.89089418      -0.77216019 
O       0.84857155       0.06435934      -1.79031341       0.19092219      -0.29987458      -0.44744490 
O       1.01160078      -0.86108101      -7.09817117      -0.83619595      -0.38027974      -0.34953409 
O       6.05939031      -0.02949280      -1.79998403       0.40947172       0.75641283       0.47977864 
O       6.12723811      -0.86371279      -7.11470885      -0.25070844      -0.91273417       0.60701508 
O       1.01435193       5.05553293      -1.96470545      -0.75108690       0.22575852       0.90266953 
O       0.74053970       4.34114743      -7.06054705       1.32080193       0.44691496       0.07842323 
O       6.11715506       5.13742365      -1.75980071      -0.08291866       0.51538877      -1.04442184 
O       6.10282331       4.27445440      -7.17756336      -0.05972875       0.23873461       0.45891220 
O       1.80265332      -0.33741429      -4.48855738       0.23169781      -0.75299003       0.67150629 
O       1.74779942      -1.33486055      -9.66252428      -0.83954381       1.17234636      -0.13165169 
O       6.91612656      -0.41965921      -4.40779791      -0.21066948       0.27311737      -0.40570671 
O       7.01577956      -1.19425656      -9.64594207      -0.76439730      -0.58282821       0.28720425 
O       1.76370883       4.85633426      -4.42269204       0.44476588      -0.88576704      -0.78788933 
O       1.66208385       3.81841007      -9.86666510      -0.36974974      -0.69226177       1.47785924 
O       6.84479012       4.62714947      -4.48665573      -0.22905239       1.14898685      -0.42003144 
O       6.81496405       3.80427549      -9.75080784       0.48103243      -0.07177569       0.46548636 
O       4.29979780       4.20878471      -3.52189054       1.02890569       0.18067973       0.86211082 
O       4.23095794       3.40590540      -8.67569537      -0.83552242      -1.05754501      -0.45062451 
O       9.51372275       4.08381046      -3.45288164       0.47446375       1.19403527       0.37193623 
O       9.47442052       3.28790202      -8.64653062       0.13330707       0.68826492      -0.52088665 
O       4.37296481       9.36104042      -3.28072623      -1.29418652       0.02547279      -1.25434743 
O       4.27682185       8.49929733      -8.61472057      -0.27138653      -0.22645986      -0.29114531 
O       9.61753884       9.25044294      -3.51016422      -0.07841903      -0.22934030       0.75496301 
O       9.53686838       8.50022808      -8.65739799      -0.32055447      -0.44569111       0.12128099 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0013880643688893354 -0.0009209261019320449 0.0019409226733362655 -0.0009209261019320449 0.0014243326986387642 0.001489449807854792 0.0019409226733362655 0.001489449807854792 -0.004184259870583178" pbc="T T T" energy=-961.64486868 free_energy=-961.64486868 config_type=crystal 
Hf       2.81091165       2.95002008      -4.15548345      -1.02911969       0.16095253       1.37953464 
Hf       2.86760775       2.04047559      -9.44523211      -0.41268351       0.53880920       0.45613053 
Hf       7.98059264       2.97292930      -4.20391876       0.37454863       1.00800337       0.70863405 
Hf       8.04918189       2.16923725      -9.50582153      -0.49705969      -0.59813258       0.63651546 
Hf       2.84925454       8.18773591      -4.15785847      -0.71683311      -0.17968211       0.46566583 
Hf       2.77262767       7.28444688      -9.41054437       0.90077514       0.34130377      -0.02277354 
Hf       7.97287702       8.19350594      -4.25788568       0.89512763      -0.45684765       0.67159877 
Hf       8.00839115       7.26578190      -9.35214284       0.62373940       0.20251223      -0.73558964 
Hf       0.19199135       0.78153227      -3.74554596       0.19739636      -0.44407100       0.58469191 
Hf       0.18135969      -0.09018419      -8.94360593       1.26316253       0.51354450       0.30062897 
Hf       5.41400888       0.82576542      -3.69128209      -0.72616521      -0.45125650      -0.49147694 
Hf       5.48697390      -0.14221900      -8.92452983      -0.38366732       0.98582009      -1.34271646 
Hf       0.18809115       5.90757554      -3.70606471       0.47725327       0.28942639      -0.15210627 
Hf       0.26870238       4.98818681      -8.93617624      -0.46058743      -0.18428305      -0.05126674 
Hf       5.39785800       5.89716910      -3.70502242       0.39292293       0.59200411       0.07808919 
Hf       5.41720816       5.01050059      -8.97007496      -0.79094396      -0.79812749      -0.27827295 
Hf       2.36733261       1.23565904      -1.06759784       0.11052367       0.19473568      -0.59962684 
Hf       2.36364509       0.32714353      -6.27957507       0.18723594       0.03619663      -1.56523487 
Hf       7.66422613       1.20656196      -1.16298704      -0.83513813      -0.31149136       1.12564196 
Hf       7.52202674       0.41195970      -6.33899861       0.57044565      -0.98389011      -1.19111124 
Hf       2.39819635       6.37156017      -1.03510850       0.42596050      -0.33295184      -1.08181103 
Hf       2.42106508       5.47768425      -6.28846528      -1.79306821      -0.05117944      -0.09866766 
Hf       7.59559190       6.46985411      -1.11856075      -0.29980264      -0.62060110       0.52526757 
Hf       7.46843079       5.47494574      -6.39957827       1.27279137      -0.17709191       1.01180426 
Hf       5.05611382       3.48365638      -1.56862117      -0.51023983       0.04967772       0.79271828 
Hf       4.86120238       2.57565818      -6.73420178       0.13540350      -0.65979666      -1.29722166 
Hf      10.21340906       3.47147593      -1.53404569       0.49376564      -0.08925000      -0.67312785 
Hf      10.08940214       2.59307609      -6.74043346       1.73407888      -0.50925744      -0.73453118 
Hf       5.01394709       8.63250992      -1.49290282      -0.95640338      -0.72608197      -1.08858665 
Hf       4.93753208       7.65980772      -6.81202666       0.36545206       1.53343528       0.12310238 
Hf      10.20102933       8.58780883      -1.50506785      -0.31246370      -0.18484263      -1.14851094 
Hf      10.18284621       7.70487062      -6.76784985      -0.29111327      -0.18456299       0.22488357 
O       1.35284550       1.53561133      -8.05597247      -0.09752408      -0.87956544       0.84048113 
O       6.56389244       2.29300787      -2.71570245      -0.33409628       0.75946138      -0.14021418 
O       6.56220111       1.54662694      -7.99987583       0.03254853      -0.56517552       0.58069427 
O       1.39997598       7.50043280      -2.71481705      -0.74352630      -0.10118139      -0.23936990 
O       1.32489187       6.59570095      -8.03169302      -0.10971840       0.09618878       0.32639874 
O       6.56428374       7.49411160      -2.76535867      -0.73765127       0.55355266       0.14356288 
O       6.48361505       6.52437079      -8.03317066       0.19730705       0.52456249       0.65751739 
O       3.94063346       1.35187673      -5.11935556       0.12084331       0.82325657      -0.24217358 
O       4.04843901       0.62621492     -10.43036517       0.11016217      -0.97895085       0.17881722 
O       9.05714420       1.38591325      -5.14174953       0.43123157       0.25178964      -0.37907313 
O       9.30903383       2.28738328      -0.00453930      -1.15251882       0.21072642       0.34862258 
O       3.93084820       6.63728547      -5.14899231       0.38951845      -0.97110356      -0.01304992 
O       4.01843308       5.63618528     -10.35491133      -1.06638362       0.72843366      -0.47030089 
O       9.11272344       6.51828077      -5.14586618      -0.13322787       0.47879032       0.20175801 
O       9.20630738       5.64435900     -10.40389425      -0.70293382       0.23290146       0.81164626 
O       3.83699266       1.91867467      -2.48851243      -0.21323075      -0.04834969      -0.20936854 
O       3.87129030       0.92215089      -7.78182078       0.20076363       0.62900704       0.40647422 
O       8.98989333       1.78618570      -2.58794982       0.97173922       0.42528404      -0.01245125 
O       9.16544037       0.90588202      -7.76519542      -1.39360919       0.60294489       0.36783375 
O       3.82144494       6.99049652      -2.56707696       1.06795890       0.49911044       0.60017518 
O       3.83618991       6.20490695      -7.73512657      -0.34086022      -0.93104862      -0.30843340 
O       8.99250887       6.98423516      -2.44431137       1.32437544      -0.05924501      -1.05154565 
O       8.98451708       6.15073417      -7.73367560       0.22401742       0.10658110      -0.40457906 
O       1.37333828       2.88094230      -0.14692944      -0.51580221      -0.35984670      -0.92011060 
O       1.28904525       1.91791084      -5.34938831      -1.11325763       0.17384208       0.28691960 
O       6.56457321       2.88631066      -0.15304025       0.12936498      -0.76248268      -0.24090044 
O       6.47740903       2.02116929      -5.32687012      -1.10406725      -0.51807386      -0.75296384 
O       1.26689106       7.92701809      -0.20164536       0.82438226       0.66268198       1.53599365 
O       1.23229969       7.03602978      -5.31757500       0.29371111      -0.01180446      -0.49365795 
O       6.45702296       8.04037359      -0.03160624       0.42537575      -0.34586391      -1.00174266 
O       6.51627922       7.14800080      -5.43492765      -0.91236288      -0.80661313      -0.12418113 
O       3.57878365       4.67962240      -0.84140894      -0.27259188       0.33625169       0.22542926 
O       3.30293545       3.67963036      -5.95848324       1.72045441       0.10466022      -1.73239403 
O       8.70676101       4.65277712      -0.82835986      -0.14644712       0.46443939       0.01675993 
O       8.64082929       3.77133851      -6.08037256      -0.58949166       0.06761485       0.17225522 
O       3.48322410       9.79602147      -0.80362164       0.02346526      -0.24683173       0.17504067 
O       3.51720162       8.90577237      -6.07857602      -0.24829333       0.15189635       0.40367793 
O       8.65666742       9.72589732      -0.82702870      -0.32262707       0.20251624       0.17152726 
O       8.68220999       8.90994726      -6.12412661      -0.68497287       0.47755403       0.55365358 
O       0.78131777       0.10800246      -1.77023860       0.55273602       0.22168799      -0.02143607 
O       0.94936146      -0.91990032      -6.97016389      -0.45027351       0.30754124      -0.78931805 
O       6.09937331      -0.04830975      -1.99045845       1.09774679       0.54503931       2.00286113 
O       6.08388575      -0.92318592      -7.20421878       1.15608010       0.55495482       1.94958329 
O       0.93220158       5.17354828      -1.79678398      -0.54678379      -0.40928820      -0.30579544 
O       0.84877582       4.25881031      -7.04124508       0.50872079       0.85977356       0.09710634 
O       6.17743061       5.20170358      -1.87717204      -0.56122752      -0.45073063      -0.02723264 
O       5.97782619       4.20536848      -7.06792066       0.46358217       1.00564520       0.31008858 
O       1.73025125      -0.33087630      -4.42445688       0.23520943      -0.89511891       0.36422725 
O       1.78985747      -1.20807519      -9.63939023      -0.08630711      -0.75771233      -0.04665335 
O       6.88890440      -0.32174152      -4.48432890       0.37182776      -0.78475120      -0.50862714 
O       7.07353121      -1.22259552      -9.66069949      -0.57271633      -0.16477428      -0.54604175 
O       1.67831193       4.70748697      -4.47677699       0.06716061       0.00444544       0.81065508 
O       1.70818091       3.84131423      -9.66033144       0.35758382      -0.18594769      -0.61897902 
O       6.92580501       4.75589413      -4.46108995      -0.27873315       0.00573347      -0.21053921 
O       6.84319136       3.80995566      -9.72982862       0.60137078       0.09846710      -0.05959579 
O       4.32508009       4.18722000      -3.49763030       0.41339135       0.05403385       0.26566444 
O       4.14475237       3.37912231      -8.65136614       0.98826496       0.01896876       1.00847002 
O       9.57767928       4.07981534      -3.48945528       0.07449541       0.44925104       0.44367003 
O       9.52394971       3.27797269      -8.60802088      -0.59537303       0.36068139      -0.81598221 
O       4.22638382       9.43320253      -3.43255492       0.57730844      -0.39086974       0.53147690 
O       4.33517738       8.47776787      -8.69429348      -0.52849717      -0.73279656      -0.51233195 
O       9.59821497       9.16617067      -3.47895029      -0.09465657       1.09731589      -0.14760003 
O       9.49391802       8.53450402      -8.66521053       0.18523944      -1.14934742       0.06027815 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004303016702713829 -0.003046726700806943 -0.0008550903952873358 -0.003046726700806943 -0.007113642248948239 -0.0011294651391782437 -0.0008550903952873358 -0.0011294651391782437 0.0022506017334090913" pbc="T T T" energy=-961.87888478 free_energy=-961.87888478 config_type=crystal 
Hf       2.75341508       2.88415695      -4.14504293      -0.03293194       1.41123943      -0.48849546 
Hf       2.85199820       2.13477982      -9.33932467       0.07935121      -0.11071607      -1.54745512 
Hf       8.01591674       3.03026122      -4.18376583       0.41205484      -0.07223470       0.66004968 
Hf       8.07872285       2.15306941      -9.41716604      -0.59937360      -0.38132369      -0.07501691 
Hf       2.78513769       8.21311708      -4.20497176      -0.28100450      -1.40643116       0.98840075 
Hf       2.83695950       7.22270989      -9.39586843      -0.89242561       0.05992349      -0.13981569 
Hf       7.99165446       8.13396947      -4.17550292       0.36007538       0.13179378       0.12925238 
Hf       8.07843067       7.26796107      -9.40176861      -0.83264351       0.55494936       0.15266767 
Hf       0.24215445       0.77755568      -3.68409738      -0.85191238       0.97698473      -0.08612292 
Hf       0.24538780      -0.13535565      -8.94886599       0.85257116       0.03664126       0.01849750 
Hf       5.42673720       0.82334817      -3.72419008      -0.61476827      -0.97668404       0.25229330 
Hf       5.43425177      -0.03860415      -8.84350060       0.36905076      -0.30773443      -1.71565297 
Hf       0.27197491       5.94487248      -3.66489307      -0.02498467      -0.78663641      -0.38586778 
Hf       0.21924697       5.05428543      -8.94717319       0.66631431      -0.01198104      -0.91834494 
Hf       5.38369935       5.83242894      -3.72818766      -0.81607873       0.66798751      -0.88247197 
Hf       5.43322542       5.01943327      -9.07253694       0.92921091       0.17830122       0.92927647 
Hf       2.40116871       1.17433335      -1.04944863       0.20632951       0.84275330      -0.49872923 
Hf       2.35519934       0.29419647      -6.30805832      -0.32156639       0.21702575      -0.60917835 
Hf       7.59065007       1.21522839      -1.09218317      -0.30779489       0.24989574       1.06134021 
Hf       7.59094640       0.37221218      -6.31644441      -0.61934824      -0.01183361       0.35653944 
Hf       2.46473144       6.39155072      -1.08547067      -1.21888472      -0.40354929      -0.08108257 
Hf       2.37072524       5.54431593      -6.36673150      -0.19427108      -1.32312289       1.26413204 
Hf       7.52253555       6.42740139      -1.12018120       1.61565369      -0.60588492       0.11564257 
Hf       7.47274027       5.47868535      -6.39038165       0.70630514      -0.09747267       0.36872955 
Hf       5.02141855       3.47006354      -1.55269399      -1.21751116      -0.66581940       1.13465557 
Hf       4.99753188       2.60198329      -6.79411497      -0.94361168      -0.54775885       0.49097451 
Hf      10.16123118       3.46312459      -1.53933294       0.92388186       0.47004633      -0.09069235 
Hf      10.12602470       2.58318773      -6.77133521       1.07803722       0.99223697       0.26406810 
Hf       4.92091603       8.60809357      -1.61090955       0.98282828      -0.05291066      -0.08947712 
Hf       4.94349456       7.72122822      -6.85837130       0.22541996      -0.23814387       1.27533395 
Hf      10.15043795       8.62571964      -1.56396658       0.96528182      -0.52135147       0.85002944 
Hf      10.10610807       7.66614943      -6.75171571       1.12245802       0.87598539       0.54499593 
O       1.45870879       1.35614170      -7.93475099      -0.92245760       0.83895350      -0.56349147 
O       6.48097851       2.35760248      -2.69666626       0.67692034       0.03198817       0.36207543 
O       6.53367684       1.54723460      -7.95009686       0.48209154      -0.05635524       0.66752694 
O       1.28179220       7.50175016      -2.67946179       0.88457716       0.47889801      -0.03494389 
O       1.26558032       6.61635822      -7.92806243       1.15416930       0.66200384      -0.27854016 
O       6.50536401       7.48896227      -2.84442125       0.09490464      -0.39371399       0.57945558 
O       6.46772475       6.56167477      -8.00430224       0.89178270       0.39155853      -0.32512861 
O       3.89680606       1.38112494      -5.13408347       0.09543263       0.12755465       0.27215017 
O       4.07291314       0.49924037     -10.38306109      -0.35791603       0.49413507       0.12664944 
O       9.05229837       1.45349844      -5.07395292       0.34238342      -0.34499156      -0.83137994 
O       9.26435910       0.59471140     -10.40358763      -0.31880350      -0.42811468       0.24254908 
O       3.85026325       6.54437677      -5.15886548       0.77461397       0.07355076       0.29965940 
O       4.02015621       5.69200194     -10.39543991      -0.26063109      -0.04213954      -0.47501914 
O       9.13914597       6.60490993      -5.07799775      -0.56760167      -0.14405457      -0.51372171 
O       9.16218873       5.72879353     -10.40396292      -0.01444660      -0.14440906       0.23557670 
O       3.75320906       1.89788773      -2.49146456       0.50563711      -0.29139211      -0.14363697 
O       3.87958726       0.85615134      -7.67412342       0.25088675       1.57823157      -0.70627404 
O       9.08782622       1.91563261      -2.57710366      -0.79008581      -0.44561941       1.36516212 
O       9.08042272       1.07079461      -7.69046296      -0.21594277      -0.69541403      -0.66798403 
O       3.85354409       7.03990319      -2.59526463      -0.09348147      -0.30705380       0.62092198 
O       3.89845624       6.09546322      -7.73651874      -0.70125180      -0.12967146      -0.85421163 
O       9.08248758       7.02366854      -2.47362753      -0.85630197      -0.21389314      -0.10761634 
O       9.06669246       6.18352809      -7.72078319      -1.15948927      -0.69257824      -0.51874935 
O       1.43058849       2.78498789      -0.16723904      -0.84528049       0.62178589       0.37782032 
O       1.22990774       1.89453937      -5.34988267      -0.52035314       0.21460633       0.04146080 
O       6.62339163       1.01992055     -10.43406138      -0.90993541      -0.21332367      -1.99194088 
O       6.37736077       1.93139843      -5.24281997       0.38865086      -0.02324456      -1.16648183 
O       1.32188253       7.93066808      -0.09821008      -0.32662429       0.40324204       0.11977840 
O       1.22565977       7.09999315      -5.20203927      -0.21025620      -0.24765729      -1.57799933 
O       6.55780518       7.96628950      -0.14332742      -1.02105141       0.17841407      -0.29671080 
O       6.38832409       6.96927070      -5.43194895       0.30262108       0.39142386       0.43007036 
O       3.52111252       4.67895533      -0.81721947       0.09708383      -0.36933847       0.22646592 
O       3.40106337       3.72962241      -6.11755010       0.62739684      -0.36834952      -0.47483301 
O       8.69917225       4.68980679      -0.78425425       0.01087072       0.06968684      -0.56945325 
O       8.66073574       3.78675802      -6.06092149       0.05079396      -0.15790957      -0.13359399 
O       3.38187010       9.65070189      -0.90394538       0.18517112       0.43301517       0.80980817 
O       3.35129998       8.80315901      -6.08174646       0.32004762       0.37507567      -0.31797083 
O       8.69186236       9.82728521      -0.75744647      -0.13652359       0.43156637      -0.33321017 
O       8.61589538       8.93801419      -6.15227763      -0.18798809      -0.57644216       0.59525817 
O       0.90299560       0.08778467      -1.79995631      -0.78573906      -0.52485484      -0.22818437 
O       0.78773066      -0.90482234      -7.03184265       0.70941457       0.70444133       0.24033254 
O       6.10294072      -0.02308825      -1.82598348       0.10061270       0.67824758       0.07566664 
O       5.97013456      -0.74114670      -6.99726779       0.43728138      -0.87077389       0.75978846 
O       0.97459980       5.13647516      -1.83371915      -0.10648675      -0.13594440       0.22534507 
O       0.86935235       4.32771320      -7.15517517      -0.16452700      -0.93705424       1.14963279 
O       6.06068204       5.18450083      -1.80572039       0.14097547       0.19807427      -0.37807439 
O       6.06579188       4.24270419      -7.09484122       0.12004743       0.40295379      -0.21171934 
O       1.66223929      -0.36164953      -4.42267325       0.94371346      -1.02621644      -0.20127878 
O       1.72066787      -1.35646410      -9.66746859       0.30904091      -0.06226247       0.12020510 
O       6.90968166      -0.45828237      -4.40976236      -0.25824865       0.84971015      -0.38095697 
O       6.95550806      -1.27468684      -9.54868733       0.28637120      -0.51203333      -0.77425072 
O       1.69893438       4.67269729      -4.50998834      -0.22046992       0.17913047       0.37548357 
O       1.83098215       3.94275108      -9.61892890       0.26366482      -1.11736907      -0.09783321 
O       6.81426457       4.61822048      -4.51180011      -0.03610136       0.89831522       0.10114555 
O       6.98596908       3.84244208      -9.70201257      -0.33275450       0.67942884      -0.14683014 
O       4.29128763       4.11583306      -3.43924642       0.40106285       0.51628689       0.15306958 
O       4.48066001       3.28259784      -8.87738871      -0.95303633      -1.31904813       1.40840788 
O       9.55173232       4.16270041      -3.45404122      -0.22447346       0.57378329       0.23605659 
O       9.55175778       3.32925925      -8.71312890       0.39738222       0.03855258       0.51226167 
O       4.27137432       9.36301308      -3.48040724       0.66793397       0.64784334       0.26144747 
O       4.29492559       8.43996650      -8.64418521       0.07343790       0.29873718      -0.82387381 
O       9.49966458       9.32694483      -3.39249887      -0.39632002       0.12438957      -0.38195351 
O       9.59901886       8.47317052      -8.72297037      -0.93118453      -0.88308315       0.17029319 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003954887262576638 0.0005190970141511131 -0.0006305424738351044 0.0005190970141511131 0.00015889512223245643 0.002497346577184557 -0.0006305424738351044 0.002497346577184557 -0.005775486834516166" pbc="T T T" energy=-961.79907749 free_energy=-961.79907749 config_type=crystal 
Hf       2.82105206       3.04038759      -4.14907893       0.01996455      -0.33185603      -0.42835654 
Hf       2.86924775       2.03488190      -9.34890037      -1.24774461       0.79888953      -0.64457521 
Hf       7.89784475       2.96404954      -4.19330025       1.47801929       0.42872107       0.44432203 
Hf       8.06009294       2.12954132      -9.35930151      -1.20370710       0.66914659      -0.29518468 
Hf       2.87100777       8.11713188      -4.20072280      -1.14067349       1.62682883       0.48749239 
Hf       2.80870932       7.34100016      -9.44292534      -0.20058618      -0.84719950      -0.29015391 
Hf       8.00269238       8.27153192      -4.10576391       0.43158896      -1.07384665      -0.97662112 
Hf       8.00141136       7.16858396      -9.40674904       0.57963855       0.35770006       0.72626076 
Hf       0.29016499       0.85331763      -3.73775915      -0.12868583      -0.70168661       0.00368239 
Hf       0.16607661      -0.15430085      -9.00737714       1.24087595       0.55787006       0.24007313 
Hf       5.41981997       0.80719628      -3.66397427      -0.62264792      -0.32389952      -1.77484336 
Hf       5.55066931      -0.16685608      -8.94774158      -1.93206302       0.47939813      -0.72667654 
Hf       0.21644034       5.98597353      -3.72625597      -1.04921401      -0.32451870       0.78596158 
Hf       0.25582704       5.00725234      -8.97624637       0.78658555      -0.39962161       0.66859126 
Hf       5.41730531       5.92678487      -3.78835968      -0.33836406       0.16185720       1.20564253 
Hf       5.35913784       4.99582173      -8.90269890       0.61664835      -0.34213083      -0.82874142 
Hf       2.37081709       1.30633970      -1.19220208      -0.19790607      -1.25848576       0.77034659 
Hf       2.36678639       0.32583670      -6.33214982       0.10043074       0.67383128      -0.23174684 
Hf       7.61053127       1.23847564      -1.08992051       0.03800754       0.05543110      -0.11800138 
Hf       7.57671533       0.27416458      -6.35570494      -0.27141679       0.40632920       0.23841311 
Hf       2.45324694       6.41984008      -1.17145513      -0.55884464      -0.63829746       1.40713677 
Hf       2.31633641       5.41445806      -6.30984069      -0.14066323       0.92764357      -0.78488961 
Hf       7.60033205       6.39293858      -1.13787521      -0.92525490      -0.89951297       1.09441531 
Hf       7.52297994       5.53488776      -6.28257330       0.65390641      -0.12667399      -1.18981907 
Hf       4.93010136       3.44251803      -1.43344368       0.67981659       1.11079699      -1.10112941 
Hf       5.00062029       2.53978740      -6.73017376      -1.21950771      -0.01898736      -1.03928287 
Hf      10.12143354       3.55254663      -1.54298473       0.46444516      -0.48773638       0.35109732 
Hf      10.06496094       2.52234463      -6.74822437       1.32406952       1.40201157       0.01027657 
Hf       5.03892848       8.59524509      -1.56138291      -0.93825277      -0.11317368       0.06293427 
Hf       4.93362949       7.69120100      -6.85008687      -0.31300665      -0.03532551       0.23331608 
Hf      10.18378695       8.62110176      -1.50748152       0.94171424       0.05385524      -0.39116066 
Hf      10.22690938       7.71301763      -6.79294415      -1.04193627      -0.22493977       0.13398590 
O       1.26637954       1.51011533      -8.05550898       0.16975823      -0.60085840       0.37379198 
O       6.49153983       2.34700941      -2.70116135       0.03754345       0.42255506      -0.03363617 
O       6.53133248       1.42411009      -7.88120473       0.06678186       0.35569673      -1.12851165 
O       1.32924135       7.55535748      -2.71184055       0.57673359      -0.51355634      -0.72459463 
O       1.36237662       6.60684805      -8.01875913      -0.65896557       0.21875877       0.23620351 
O       6.51408386       7.50259388      -2.80648306       0.77860515       0.39120670       0.04451827 
O       6.50706210       6.59528359      -7.99166416      -0.00233296      -0.08272121      -0.06761923 
O       4.00261012       1.41701894      -5.21184828      -1.04441659       0.45317056       1.06610267 
O       3.96304699       0.43555908     -10.41672019       0.26427563       0.68992380       0.24123267 
O       9.13639763       1.41873550      -5.11461738      -0.61185155       0.31987946      -0.14461843 
O       9.10237606       0.54016724     -10.37571677      -0.05760567      -0.15480264       0.31881116 
O       3.91026772       6.62749672      -5.13717705       0.15783228      -0.97339780      -0.66903330 
O       4.05696466       5.60921058     -10.40914801      -0.63137162       0.37889333      -0.52316465 
O       8.99865983       6.63046006      -5.10382278       0.84854438      -0.32255792       0.56729009 
O       9.24674007       5.73374355     -10.31171360      -0.71701279      -0.13311759      -0.74305897 
O       3.82177358       1.89229394      -2.56110591       0.19574888       0.24964261       0.09778669 
O       3.88461242       0.98921686      -7.74690382      -0.30909520      -0.29800838      -0.37712811 
O       9.02096904       1.89971116      -2.49524383       0.27349446      -0.50797254      -0.06587769 
O       8.99854605       1.05416447      -7.70101805       0.43585907      -0.96867278      -0.76970185 
O       3.89877450       7.04818612      -2.60419758      -0.44484895       0.00974063       0.67419439 
O       3.78871665       6.18674849      -7.80799811       0.32952010      -0.66589534       0.60942582 
O       9.14194625       6.86637255      -2.42104270      -0.40900686       1.52697857      -0.01786753 
O       9.04716609       6.15067392      -7.67180626      -0.30011247      -0.03182527      -0.53567193 
O       1.21630560       2.75038929      -0.26111742       0.26690985       0.34268886       0.22856822 
O       1.24489314       1.92729942      -5.33666527      -0.02172908       0.25233520      -0.05752175 
O       6.47233607       2.85549055      -0.11688579       0.05087092      -0.57223030       0.43047113 
O       6.37836063       1.89667818      -5.37370472       1.54220554       0.09469085       1.06643912 
O       1.35824814       7.92924651      -0.14836245      -0.37321939       0.10100842       0.03513188 
O       1.20810797       7.09785504      -5.33312489       0.40752237      -0.54473048       0.13149762 
O       6.57131537       8.00533805      -0.18977697      -0.16347518      -0.15448403       0.19424202 
O       6.41062821       7.11225224      -5.39157871      -0.18050423      -0.28186171       0.03654765 
O       3.45803658       4.61809596      -0.78587743       0.14971532      -0.05577447       0.31616787 
O       3.34782183       3.74407068      -6.09837393       0.84075040      -0.50456016       0.64263181 
O       8.65632984       4.65923048      -0.74148022       0.04912442       0.26614717       0.08425516 
O       8.57252993       3.74334442      -6.06403617       0.16958053      -0.09925364       0.42798561 
O       3.42261273       9.71712266      -0.82339875       0.87210133       0.33367626      -0.97552252 
O       3.42735632       8.92082091      -6.14752937       0.59261165      -0.86516373       0.27258610 
O       8.67019351       9.78025238      -0.77511171       0.49556693       0.18767049      -0.45140107 
O       8.71931446       8.94331852      -6.05300237      -0.04708880      -0.30781040      -0.02579729 
O       0.96688002       0.05182431      -1.93683889      -0.57857071      -0.16337217       0.96514670 
O       0.89394804      -0.85181020      -7.06072955      -0.32673890       0.17484259      -0.45243085 
O       6.19544645      -0.03881275      -1.98803890       0.05312033      -0.03376173       1.55003312 
O       6.04675811      -0.90524632      -7.13170384       0.73376653      -0.05283466       0.75125043 
O       0.96166534       5.17111229      -1.82182399      -0.20832060       0.19304829      -0.46506986 
O       0.80995207       4.34864593      -7.01386281      -0.51717576      -0.72869758      -0.07282083 
O       5.99134791       5.34003001      -1.78232929       0.21772388      -1.17271463      -0.12677420 
O       5.97286825       4.29751832      -7.03838115       0.47140391       0.40717824       0.44772119 
O       1.76919003      -0.37600895      -4.43966561      -0.09366735      -0.14854380      -0.25086907 
O       1.77614269      -1.18109292      -9.69862550      -0.38410100      -0.73827506       0.21809765 
O       6.98385590      -0.34052089      -4.49755019      -0.80027640       0.08142746       0.61404593 
O       6.96669093      -1.34767269      -9.69821167      -0.05684791       0.34531749      -0.25866348 
O       1.58079008       4.68679081      -4.38746321       1.03927409      -0.16319409      -0.59763347 
O       1.65644151       3.73772802      -9.66317448       0.36012749       0.39439818      -0.42635992 
O       6.79255769       4.65745133      -4.52050982       0.16389443       0.15435216       0.56531158 
O       6.94606796       3.82543387      -9.65804830      -0.78880088       0.77684355       0.01383865 
O       4.28901922       4.25099749      -3.37347622      -0.32487271      -0.38602214      -0.35899726 
O       4.22314288       3.33851230      -8.61608922       0.35583142      -0.25102575      -0.21059780 
O       9.40724311       4.19503426      -3.30266972      -0.22197159       0.76968927      -1.84609084 
O       9.42364097       3.36734029      -8.60922950       0.57640790       0.00980442       0.05366705 
O       4.32039293       9.36284920      -3.51965402       0.45417721       0.05201448       0.61172456 
O       4.35791758       8.39962949      -8.78762992       0.83702778       0.91139355       0.53979925 
O       9.56194504       9.29798095      -3.43265982      -0.10295841       0.15674506       0.58725108 
O       9.53328269       8.44253299      -8.64372214      -0.44827665      -0.10360755      -0.66599009 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0011498290363768614 0.0002457014319703647 0.00020625683567582862 0.0002457014319703647 -0.004771447555003544 1.7085557013265837e-05 0.00020625683567582862 1.7085557013265837e-05 -0.003123533969370476" pbc="T T T" energy=-961.80024006 free_energy=-961.80024006 config_type=crystal 
Hf       2.82673264       3.03303014      -4.15239964      -0.37179523      -1.03856447      -0.40531709 
Hf       2.80843637       2.17503466      -9.45601169       0.57170704      -0.35250609       1.04534714 
Hf       8.07324072       3.08871055      -4.11380410       0.37338446      -1.30384670      -0.06296142 
Hf       8.00970459       2.07793667      -9.47278438      -1.41762161       0.95608811       0.93850247 
Hf       2.79189222       8.11041134      -4.17656432       0.10264359       1.13933302       0.09460711 
Hf       2.83421739       7.19858138      -9.36938354       0.18096637       1.06447216      -0.22706666 
Hf       8.01689290       8.02381748      -4.18650522       0.31192584       2.46607348       0.45591085 
Hf       7.96962859       7.33912345      -9.45691789       0.24576563      -1.13007684       0.56850799 
Hf       0.17551463       0.80100454      -3.66913646       1.25539643      -0.73071644      -0.90654393 
Hf       0.24635576      -0.08138083      -8.97620279      -1.89562887      -0.34018839       1.95351283 
Hf       5.42732404       0.74252882      -3.71336818      -0.15182767       0.30720330      -0.80019143 
Hf       5.33561743      -0.09112626      -8.93472485       1.08199598       0.07237101      -0.25258440 
Hf       0.25108636       5.93683669      -3.73492788       0.01940199      -0.57628682      -0.00083843 
Hf       0.16987343       5.02785462      -8.97543919      -0.69312882       0.28227651      -0.01079043 
Hf       5.38971066       5.96124464      -3.72744621       0.20957672      -0.18319433       1.00195985 
Hf       5.39445341       5.02799327      -8.99139798       1.47331413       0.15900313      -0.51471625 
Hf       2.39885832       1.25812999      -0.95299886      -0.06873095      -0.64341358      -1.64875760 
Hf       2.38329418       0.27910985      -6.36243403      -0.27667196      -0.06781990       0.86812566 
Hf       7.59836257       1.25773429      -1.09029905      -1.20367907      -0.34909417       0.05327062 
Hf       7.57305878       0.37832909      -6.28148481       0.05049454      -0.91457574      -0.57437916 
Hf       2.33460723       6.36900069      -1.07425993       0.39307245       0.25978312      -0.86748792 
Hf       2.43091103       5.46117440      -6.38480248      -0.52599443       0.64969574       0.22094691 
Hf       7.60331999       6.45935884      -1.09545295      -0.17572891      -0.84917386       0.42854291 
Hf       7.52617932       5.38015980      -6.34718634       0.85854332       0.83551613      -0.51072990 
Hf       5.00445920       3.51924920      -1.62487533       0.38942349      -0.26613712       1.26240999 
Hf       4.92332273       2.55774501      -6.78882257       0.91991789      -0.60343537       0.08192161 
Hf      10.22600303       3.40382982      -1.46447616      -0.22584851       1.24751376      -0.85386742 
Hf      10.21538280       2.56550994      -6.75013820      -0.46852786      -0.85072670      -0.45422297 
Hf       4.92538978       8.62983087      -1.53290953       0.83145915      -0.44318373      -0.33070977 
Hf       5.02447548       7.74334277      -6.74915692       0.43294992      -0.07503517      -1.09731458 
Hf      10.21044055       8.65953411      -1.58002670      -0.43373565      -0.69085964       0.17002006 
Hf      10.17721343       7.62607159      -6.80635424      -0.84665302       1.69727291      -0.08854529 
O       1.30687198       1.47593774      -7.98192193       0.31943722       0.16336601       0.36116587 
O       6.55526725       2.42123694      -2.75743325       0.04759525      -0.45778661       0.28298581 
O       6.41608343       1.54426851      -8.03349881       0.67340198      -0.11489470      -0.01295737 
O       1.35760685       7.41981374      -2.76572724       0.23459290       0.49482972       0.17726645 
O       1.36720354       6.65500468      -8.01330513      -0.55337584      -0.96390298      -0.08087236 
O       6.47186788       7.48765201      -2.73945887       1.02744264       0.00882481      -0.30276817 
O       6.51131484       6.58840902      -8.07150126       0.00453902       0.13457699       0.92443412 
O       3.94780017       1.32883040      -5.22884558       0.05377630       1.12612402       0.61397356 
O       3.90903949       0.47162334     -10.36856766      -0.30583584       0.76080843      -0.32823239 
O       9.13312895       1.37796701      -5.13146778       0.19144407       0.56033441       0.60962264 
O       9.07019888       0.51676858     -10.35345584       0.82910610      -0.32887379      -0.30307178 
O       3.94654866       6.56244061      -5.07965159       0.12708255      -0.10751691      -0.88098374 
O       3.94384240       5.70310465     -10.37757390      -0.38438618      -0.56000925      -0.09032202 
O       9.10246209       6.57530269      -5.11037651       1.07626975      -1.27177170      -0.35776308 
O       9.17698950       5.73914736     -10.43228878      -0.48457845      -0.64613669       0.45082421 
O       3.73146685       1.98515598      -2.56272762       0.23381681      -0.66334792       0.69170011 
O       3.85530732       0.99239204      -7.78026460      -0.70217291       0.25504114      -0.30430076 
O       9.11672090       1.91194405      -2.41576669      -0.31848689      -0.53501238      -0.79797644 
O       8.97276305       0.97521689      -7.74171979       0.56570255       0.17557510      -0.06205338 
O       3.84050822       7.05014593      -2.52472989      -0.03453745      -0.35310238       0.34567755 
O       3.92393242       6.13223931      -7.82358581      -0.78375209      -0.12011752       1.08554643 
O       9.15874570       7.07325497      -2.53282259      -1.34050077      -0.94762253       0.04468806 
O       8.98341456       6.13128878      -7.74901076       0.64837804      -0.44088730      -0.00105894 
O       1.25251546       2.83411938      -0.00609811      -0.07392663       0.50920101      -1.20572369 
O       1.29405752       1.93493829      -5.28538462      -0.23772396      -0.05249360      -0.19798741 
O       6.44001591       2.86514240      -0.15177336       0.08914229      -0.80561672       0.01573098 
O       6.49491137       1.88506338      -5.35060196      -0.56437441       0.82000073      -0.00855589 
O       1.23898564       7.97533822      -0.12664472       0.71085901      -0.26230611       0.07779533 
O       1.34745917       7.12564345      -5.48954287      -0.49553074      -1.04634840       0.92328555 
O       6.45840289       7.97896597      -0.12702453      -0.23041659      -0.10214187      -0.46620087 
O       6.49948061       7.04197808      -5.35599328      -0.40334967      -0.67806037      -0.20431131 
O       3.57360627       4.69694074      -0.72712256      -1.00465381       0.06859866      -0.16742071 
O       3.48916912       3.82853234      -6.03156312       0.72514956      -1.11674146      -0.04975441 
O       8.65227233       4.62433159      -0.95762196      -0.03533322       0.08930431       0.82783874 
O       8.73997940       3.71670778      -6.01788411      -0.73425165       0.90828028       0.12471888 
O       3.48064295       9.73440752      -0.73231164      -0.70584348       1.42277727      -0.18150275 
O       3.58843478       8.89917063      -6.06516803      -1.06910214       0.34461316       0.55282334 
O       8.66724121       9.76120440      -0.85933175      -0.59167692       1.12214388      -0.15950479 
O       8.66373926       8.85851612      -5.98081263       0.19865216       0.17760956      -0.91305136 
O       0.90163821       0.01335583      -1.82120393       0.83273999       1.18309525       0.19826092 
O       0.92269404      -0.94122834      -7.08125473      -0.27264298       0.48983830      -0.39906508 
O       6.10541475       0.03310335      -1.90008306      -0.05955952       0.17560913       0.71177358 
O       6.06617996      -0.79721166      -7.09526030       0.27634651      -0.48434759       0.36480452 
O       0.91481425       5.11919920      -1.87725279       0.65106830       0.17975312       0.73982193 
O       0.90236564       4.29271855      -7.09398059      -0.02338669       0.10180490      -0.06361305 
O       5.98095221       5.29079966      -1.63549226       0.11193721      -0.23754102      -1.58719474 
O       6.07661098       4.28644032      -7.08454981      -0.38355678      -0.52108807       0.20425492 
O       1.68006571      -0.45510555      -4.47582815       0.31947406       0.27118392      -0.14583298 
O       1.63417396      -1.22246904      -9.65116821       1.89644770      -2.04446102      -0.63151433 
O       6.83002935      -0.44873094      -4.45958763       0.69840937      -0.69630138       0.04956024 
O       6.76491067      -1.38371989      -9.71867259       0.48574986       1.10034262      -0.77641522 
O       1.76422430       4.71258336      -4.46609663      -0.52844705       1.08548834      -0.07985105 
O       1.64471086       3.86528757      -9.74494201       0.20603991      -0.64124867       0.25849002 
O       6.91461186       4.65670288      -4.40867198      -0.47018639       1.36497932      -0.15100038 
O       6.97136064       3.84692000      -9.71616946      -0.26615914       0.40439751       0.09589294 
O       4.34801231       4.21178881      -3.45444591       0.33112325       0.66528244      -0.06461316 
O       4.23939185       3.39673174      -8.62471713      -0.50573983      -0.62292455      -0.02010379 
O       9.67226577       4.17487561      -3.44168560      -0.91323993      -0.55715921      -0.24431177 
O       9.42695911       3.27766157      -8.63861203       1.17065447       0.88839451      -0.24112771 
O       4.25437975       9.35567178      -3.43170133       0.11314731       0.14511579       0.35003802 
O       4.30145194       8.46429510      -8.60992443      -0.75394593      -0.22284293      -0.39205070 
O       9.63700215       9.26432920      -3.53519331      -0.79555704       0.44835604       0.59966027 
O       9.50288827       8.43619381      -8.74416002       0.23090504       0.29740266       0.57833738 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0016309095489704954 -0.00045794539158463296 -0.002813671246650112 -0.00045794539158463296 -0.002224584414557449 0.001949066844104083 -0.002813671246650112 0.001949066844104083 -0.006074638728119931" pbc="T T T" energy=-961.62407604 free_energy=-961.62407604 config_type=crystal 
Hf       2.74918332       2.87429609      -4.08598827       0.49688292       0.27215431      -0.32027814 
Hf       2.82691728       2.18213170      -9.52399153      -0.42451173      -0.03806607       0.80043729 
Hf       7.98562019       3.08806589      -4.14141686       0.44469199      -1.25203718       0.16880621 
Hf       8.01041684       2.10278171      -9.42827041       0.11139099       0.58243723      -0.58573936 
Hf       2.84975650       8.17138060      -4.20409265      -0.84378779      -0.08766656       0.45123731 
Hf       2.82422027       7.25321683      -9.35641847      -0.73274474       0.34864247      -1.75690247 
Hf       8.01557697       8.13885270      -4.15022696       0.65537081      -0.05953003      -0.34141005 
Hf       8.03260552       7.34295181      -9.41683338      -0.92597492      -0.87862691      -0.32822766 
Hf       0.21484532       0.75742380      -3.77180026      -0.28887508       0.65698443      -0.14610465 
Hf       0.20987004      -0.13077490      -8.94114039       1.13999981       0.50489987       0.05495788 
Hf       5.44550374       0.73224626      -3.79579326      -0.29431392       0.10341605       1.51974555 
Hf       5.36859831      -0.10646855      -8.88197359       0.60194201      -0.85554978      -1.55691277 
Hf       0.20529124       5.89560907      -3.67335602       0.86501513       0.78164879       0.37295017 
Hf       0.15444727       5.13745822      -8.95943388       0.30486073      -0.99809859      -1.52746052 
Hf       5.39455524       5.90481673      -3.62183962       0.12210991       0.44658613      -0.34854872 
Hf       5.41595769       5.01074569      -8.95209261       0.15319082       0.63363221      -1.33826882 
Hf       2.37516211       1.25207811      -1.09996463       1.12637400       0.19473714       0.46645483 
Hf       2.45987325       0.35731304      -6.39207529      -1.42021007      -0.10770691       0.48355010 
Hf       7.59043301       1.26835386      -1.10356266      -0.81082615      -0.87708724      -0.37635006 
Hf       7.58375621       0.34001947      -6.32507473       0.20387782      -0.30698810       0.05782398 
Hf       2.39571785       6.39081284      -1.04522729      -0.81471864       1.08073575      -1.30922557 
Hf       2.34975430       5.34242898      -6.31693363       0.37739566       1.04236789       0.75523584 
Hf       7.59937033       6.44356718      -1.02831756       0.14219348       0.00999907      -0.50752573 
Hf       7.54549696       5.45182433      -6.39370645       0.65848866       0.89808086       0.43181431 
Hf       4.98617726       3.46347464      -1.58323221       0.18905638      -0.66361162       1.46351761 
Hf       5.00266354       2.54042064      -6.78711045      -0.18905486       0.30144482       0.13115448 
Hf      10.19043362       3.46493769      -1.54557449      -0.44856217       0.10192827       0.44380750 
Hf      10.11799675       2.58000584      -6.84914475       1.19798707      -0.32879649       0.63624614 
Hf       4.97732359       8.58691260      -1.54101209      -0.22751424       1.17870923      -0.58002989 
Hf       4.92947233       7.62815491      -6.73256778       0.99434947       0.47151144      -1.23024462 
Hf      10.26225456       8.74056017      -1.51775393      -0.68748064      -1.04418421      -0.54324247 
Hf      10.16014965       7.68458763      -6.79002405       0.83699559       0.81979793       0.88169129 
O       1.38805011       1.46493738      -7.97550659       0.11553733       0.12007076      -0.51968593 
O       6.47955244       2.31216344      -2.77047991       0.60521312       0.87965821      -0.02572572 
O       6.51035364       1.50094503      -8.05245635       0.42819274      -0.25733801       0.73132521 
O       1.36981784       7.57721526      -2.66294962      -0.11867198      -0.42679934      -0.54281035 
O       1.25036114       6.67265999      -8.02891961       0.40853541       0.09597270       0.54231317 
O       6.60718693       7.61616755      -2.76549486      -1.45502969      -1.16826149       0.28379878 
O       6.53794943       6.56749236      -8.09191829      -0.06750988       0.29681095       0.88966102 
O       3.92927511       1.28265538      -5.18494998       0.29471748       1.13256203       0.20240951 
O       3.93717724       0.64780571     -10.40516482      -0.19471776      -0.38570894       0.01623577 
O       9.07545876       1.43419905      -5.09574415      -0.00081918      -0.01002973      -0.14232778 
O       9.11764003       0.48905777     -10.35631232      -0.12811704       0.41273296       0.13606899 
O       3.95777589       6.53905022      -5.12621559       0.67105704      -0.17854362      -0.42026471 
O       3.88224728       5.68117268     -10.40594470      -0.17500685      -0.10536945       0.10059440 
O       9.24992729       6.64468500      -5.16255161      -0.64181908      -0.43111174       0.03357238 
O       9.08083469       5.71773522     -10.33928026      -0.15711147       0.22731594      -0.46435366 
O       3.82112201       1.76906746      -2.53655596      -0.30523589       0.75316795      -0.07695829 
O       3.92401450       0.97615848      -7.74915819      -0.05157191       0.00904337      -0.42361534 
O       9.06080117       1.91388508      -2.51521185      -0.21837311      -0.11225711       0.17851444 
O       9.10306369       0.98632305      -7.67214900      -0.56828555      -0.10392869      -0.90934362 
O       3.87482830       7.07165360      -2.65381043       0.14360775      -0.63104140       1.38663686 
O       3.83775978       6.14510923      -7.85344433      -0.28237600      -0.82868884       1.61137159 
O       8.97202888       6.96626284      -2.51468472       1.43421162       0.04353334      -0.19786161 
O       9.02371353       6.01948969      -7.76794468       0.34660642       1.16566319       0.28535483 
O       1.22557436       2.85493873      -0.17939126       0.74262476      -0.31653233       0.54682320 
O       1.20841573       1.96927141      -5.29428785       0.37648817       0.09574489      -0.66994435 
O       6.43056636       2.81263680      -0.16669605       0.79707514      -0.09759043       0.48353366 
O       6.47038924       1.95349760      -5.36294026      -0.42967351       0.01587559      -0.44919471 
O       1.17100807       8.04919961      -0.09853980       0.94935886      -0.46543652       0.57006490 
O       1.35963857       6.95529615      -5.30378941      -0.63277942       0.10394111      -0.56439819 
O       6.32319118       7.92249183      -0.15769800       1.14780728      -0.02824343       0.60750373 
O       6.55238165       7.10010808      -5.45275512      -0.70830687      -0.21434220       0.10443444 
O       3.54268257       4.76566422      -0.85027657      -0.13675129      -0.64190721       0.43530671 
O       3.52901777       3.73945130      -6.01148274      -0.04046966      -0.48371713      -0.14876464 
O       8.75546188       4.73450517      -0.78370822      -0.51588487      -0.79536705       0.03185642 
O       8.68909958       3.70039950      -6.03878048      -0.68834461       1.20008227      -0.20476259 
O       3.51938098       9.84106997      -0.81983727      -0.19320401      -0.37636956       0.38766102 
O       3.42845956       8.82917975      -6.15658235       0.55541300       0.12661889       0.55249216 
O       8.74267122       9.82105108      -0.81135469      -0.57105465       0.55068814       0.53468498 
O       8.69804012       8.96672464      -6.07537282       0.40558879      -0.56547580       0.18146393 
O       0.89402254       0.23034757      -1.83059071      -1.19791188      -1.48482092      -0.41741744 
O       0.98730786      -0.86610795      -6.98633563      -1.61307884      -0.86261081      -1.24341080 
O       6.16285864      -0.00462220      -1.91050164      -0.08900110       0.08384288       0.41989137 
O       6.14091091      -0.93082933      -7.12890921      -0.50194332       0.32176688       0.27161472 
O       0.93680832       5.12282363      -1.82353989      -0.01425106       0.53676956      -0.37115002 
O       0.87005452       4.34335895      -7.19627897       0.05917269      -1.05199530       1.18601491 
O       6.04374658       5.26802447      -1.69522263      -0.20710102      -0.43450931      -1.06023198 
O       6.09991454       4.30733718      -7.05505724      -0.86670564      -0.82464892      -0.04595404 
O       1.72024789      -0.36953563      -4.50042199       0.43856278      -0.56580370       0.43703662 
O       1.65058657      -1.33373036      -9.73660108      -0.16566747       0.44427624       0.45208994 
O       6.90708690      -0.42641895      -4.46794032       0.38342933      -0.09697161      -0.57571920 
O       6.86417238      -1.37742965      -9.75660238      -0.51834410       1.15149636      -0.01986788 
O       1.75434801       4.65521237      -4.33010639      -0.08150157       0.00985786      -0.93409074 
O       1.65765457       3.88126243      -9.80204807       0.24718343      -0.36248378       0.90905033 
O       6.97417610       4.86844352      -4.43379725       0.01112289      -0.86819551       0.34695153 
O       6.97599066       3.90279107      -9.64405701       0.07081381      -0.71371651       0.22394807 
O       4.33655877       4.09389191      -3.34674572       0.07561726       1.26618910      -1.56450164 
O       4.37442818       3.27955112      -8.70904166      -0.63835190      -0.17731320       0.26959945 
O       9.56370682       4.14085791      -3.42059171      -0.19335510       0.81294770      -0.64256351 
O       9.54479846       3.25435595      -8.77753907       0.09590998       0.25676784       0.94718828 
O       4.33781943       9.34550066      -3.43405672      -0.31574709       0.05597594      -0.75545063 
O       4.25938288       8.43652352      -8.71008142       0.82622912       0.99368967       0.73761422 
O       9.52955642       9.29410162      -3.38374778       0.17483901       0.57087065      -0.50366590 
O       9.43344307       8.53263133      -8.63096508       0.30563245      -0.60818801       0.52751698 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003859360534740865 0.0023715057882337564 0.003829537018794077 0.0023715057882337564 -0.005274938873955139 0.0015125794113697256 0.003829537018794077 0.0015125794113697256 -0.006307931840219747" pbc="T T T" energy=-961.61031379 free_energy=-961.61031379 config_type=crystal 
Hf       2.80103723       2.99685887      -4.10302084       0.88059936       0.74993310       0.70376897 
Hf       2.83921471       2.03840759      -9.41344757       0.06429969       1.10306218      -0.55306896 
Hf       8.02388651       2.98243810      -4.17836800      -0.27968284       0.08011785       0.71180250 
Hf       7.95178326       2.19557706      -9.44574327       0.01948809       0.00374124       1.11929062 
Hf       2.78728474       8.09972588      -4.18176788       0.72633507       0.69169310       0.36203263 
Hf       2.77224500       7.31278747      -9.38940186       0.68460662       0.24414342      -0.86389295 
Hf       8.01477786       8.18259798      -4.12453591      -0.37833987       0.27083925      -0.29463153 
Hf       8.04704928       7.23760132      -9.42015398      -1.81547695       0.36073216      -0.33516893 
Hf       0.29773660       0.78160665      -3.72968714      -0.65279627       0.35073035       1.43332142 
Hf       0.11064667      -0.10700537      -8.89053587       1.22063807       0.14114729      -0.79186915 
Hf       5.38360251       0.75548455      -3.76553372       0.88819971       0.12944524       1.52581774 
Hf       5.49003696      -0.10252207      -8.97821743      -0.60145036      -0.53883641      -0.32649356 
Hf       0.19402255       5.93978180      -3.72117946       0.82506531      -1.51135380       0.18920136 
Hf       0.21792168       5.02426043      -9.01994046       1.06537294      -0.58465827       0.34678049 
Hf       5.42121538       5.86853749      -3.72868769       0.50262047       0.53999088      -0.39666936 
Hf       5.35344666       5.05187080      -8.99013896       0.93625933       0.86419357      -0.19837353 
Hf       2.36263432       1.22138229      -1.08322019      -0.12518894      -0.08232792       0.15592629 
Hf       2.41364880       0.33258678      -6.31262629       0.53819298      -0.10853791      -0.27011344 
Hf       7.57019843       1.26868064      -1.07527534      -0.94970895      -1.22777332      -0.54362761 
Hf       7.65946904       0.31633402      -6.30311570      -1.16936198       0.26309116      -0.75493334 
Hf       2.42445284       6.41829977      -1.09543132      -1.27126651      -0.86015903      -0.04399147 
Hf       2.35942590       5.46675849      -6.34300868       1.19306728      -0.39104323       0.08565418 
Hf       7.63724804       6.39115927      -1.11627057      -2.81165122       0.98885537       0.36037355 
Hf       7.63097937       5.47383181      -6.37176054      -1.62432068      -0.27265626       0.28088528 
Hf       4.92061492       3.51323795      -1.49065811       0.77350567      -0.69101854      -0.65281968 
Hf       4.95448957       2.59165340      -6.78968078       1.28566885      -0.30452708      -0.43922211 
Hf      10.11230972       3.49860228      -1.48499452       0.64003220      -0.21563508      -0.43530117 
Hf      10.23126707       2.57174396      -6.72629137       0.40578226      -0.17042389      -1.03668721 
Hf       4.92310807       8.59059885      -1.56807609       0.90130664       0.71711246       0.34383211 
Hf       5.01401463       7.71833311      -6.85164211       0.13182926       0.18481092       0.55073249 
Hf      10.14085425       8.58957624      -1.53659040       1.26530911       1.10996198       0.08758237 
Hf      10.17639498       7.65426332      -6.74962861      -0.34983055       1.31812598      -0.87851955 
O       1.55937236       1.38006970      -7.98906485      -1.72524067       0.49257799       0.61869558 
O       6.48716988       2.43525777      -2.80850369       0.48295710      -0.90932456       0.38003148 
O       6.56094295       1.42092940      -8.05499991       0.54187260       0.91812323       0.35101989 
O       1.32241441       7.37221595      -2.75414447      -0.35398303       1.38347935      -0.60704058 
O       1.27885819       6.60853264      -8.10178421      -0.16154069       0.15560699       1.17754172 
O       6.47817115       7.58249115      -2.86512210      -0.06450345      -1.01011284       0.98540382 
O       6.52644696       6.65682731      -8.04655072      -0.28043504      -0.08960941       0.49469459 
O       3.93524443       1.42556658      -5.07642108      -0.38575553       0.27331878      -0.56936740 
O       3.90567563       0.54751711     -10.39532703       0.59056833       0.23645124       0.57711264 
O       9.16582398       1.44213768      -5.12451555       0.40647785      -0.26438472       0.08039430 
O       9.02977336       0.58219614     -10.39846020       0.58988895       0.02285209       0.99319799 
O       3.97895505       6.63979364      -5.10943660      -0.64732511      -0.41430907      -0.34361017 
O       3.93039871       5.64728357     -10.41346648      -0.42489508       0.54372938      -0.19402583 
O       9.19120384       6.57132674      -5.13391158      -1.05214612       0.26684718      -0.21108049 
O       9.17916356       5.71673747     -10.36628861      -0.21693062      -0.76866046      -0.41836615 
O       3.84284510       1.94010914      -2.41538667      -0.64638090      -0.08089502      -1.13087781 
O       3.99929676       0.94142024      -7.75135250      -0.60639997       0.44810156       0.56746089 
O       9.10043661       1.86973770      -2.36027928       0.07978856       0.09438404      -1.49845485 
O       9.06771383       1.03044867      -7.77286841       0.37113567      -0.07837017       0.49900444 
O       3.72597755       7.04005896      -2.55866925       1.52039365       0.21805341       0.05243816 
O       3.84977595       6.19930504      -7.74559534      -0.47767853      -0.59223464      -0.10659477 
O       9.02708217       7.08828365      -2.48227382       0.07441787      -0.59037714      -0.57489051 
O       8.97754727       6.19022660      -7.77062275       1.19152858      -0.52746344       0.24276009 
O       1.19720751       2.79010174      -0.09577069      -0.12712499       0.31957228      -0.39189051 
O       1.36576448       2.04347004      -5.26866852      -1.17813682      -0.88115998      -0.72754868 
O       6.51720313       2.87535236      -0.13505264      -0.90738430      -0.39374939      -0.03275156 
O       6.46459426       1.82389017      -5.40265557      -0.03419970       0.71766439      -0.38612145 
O       1.32077908       7.95508814      -0.15695004      -0.73340184       0.33452544      -0.04987205 
O       1.24133052       6.97557058      -5.46557444       0.50771972       0.81944590       0.81846263 
O       6.42708436       7.96886155      -0.12104087       0.20496519      -0.18474562      -0.80745864 
O       6.42688528       6.96138371      -5.38870029       1.10127906       0.19103400      -0.42686935 
O       3.41009399       4.65488618      -0.93100560      -0.39812853      -0.09462456       1.36157318 
O       3.54986538       3.75758500      -6.02047765      -0.48569756       0.52310881       0.07894880 
O       8.56004526       4.69080712      -0.84919942       0.88255212      -0.57533017       0.20531395 
O       8.86340956       3.75845671      -6.05511687      -1.61232815       1.02438874       0.31415929 
O       3.56629108       9.91228513      -0.79218062      -0.24392078      -1.09730023       0.57257486 
O       3.45029871       8.90171788      -6.04862793       0.25953098      -0.04414716      -0.26772143 
O       8.71973350       9.77703987      -0.74989718      -0.07739109       0.77906914      -0.44099008 
O       8.72493602       8.93495026      -5.95506751       0.54311179      -0.75997657      -0.50917782 
O       1.04565622      -0.12134155      -1.84787594      -0.63143649       0.83597902      -0.38222468 
O       0.82627190      -0.76583843      -6.99678613      -0.51116106      -0.93133770      -0.02427457 
O       6.08237417      -0.03455928      -1.87182368       0.57560814       1.09054865      -0.17905939 
O       6.19732013      -0.87091252      -7.14386268      -0.20659446      -0.46588455       0.34250296 
O       0.82942296       5.16607197      -1.88629600       0.12430170      -0.23207874       1.14855700 
O       0.95031768       4.28912427      -7.04226049      -0.62510201      -0.32758125      -0.60855630 
O       6.05494992       5.17056156      -1.84257535       1.11662080       1.40335015       0.44368720 
O       6.11247329       4.34768576      -7.15929864      -0.15383359      -1.01327941       0.84856078 
O       1.68127816      -0.38297450      -4.43323253       0.82628418      -0.91477703      -0.73197394 
O       1.67782328      -1.28425973      -9.63231515      -0.11941914      -0.07001314      -0.16850081 
O       6.87336665      -0.43295065      -4.44343364       0.43881215      -0.18127436      -0.43749048 
O       6.77961419      -1.43672190      -9.80941612       0.75317776       0.90452330       0.10417384 
O       1.72976249       4.73571291      -4.41616582       0.01099765       0.10192214      -0.26957050 
O       1.77858420       3.91474326      -9.66426244      -0.06801313      -0.97209126      -0.00856701 
O       6.88701295       4.60212671      -4.52896468      -0.11637485       0.73912339      -0.12127302 
O       6.94816358       4.01526123      -9.64687179       0.95385244      -1.55252463      -0.56413841 
O       4.29096003       4.29064979      -3.32547248      -0.81166148      -1.00890425      -1.15722375 
O       4.36050944       3.27739911      -8.76268536      -0.29777686      -0.32717269       0.47540327 
O       9.46255148       4.21956894      -3.45858503      -0.03809986      -0.32842132       0.57088282 
O       9.55155298       3.28466484      -8.68322208       0.19233475       0.24493139      -0.06975254 
O       4.27021684       9.36877847      -3.42522289      -0.76590074      -0.48481428      -0.46787542 
O       4.29680498       8.49026016      -8.69940002       0.01477183       0.01183422       0.51976238 
O       9.48062145       9.41402707      -3.38476980      -0.17077448      -0.41743345       0.11325114 
O       9.47810617       8.46155508      -8.67227386       0.18778877       0.35167205       0.56208579 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004904238189467907 -0.002445929518084752 -0.0011298811295199747 -0.002445929518084752 -0.008605537835844572 0.0005557631839337348 -0.0011298811295199747 0.0005557631839337348 -0.002768613592542069" pbc="T T T" energy=-961.46013272 free_energy=-961.46013272 config_type=crystal 
Hf       2.80870496       3.00546310      -4.20931102      -0.05140752       0.84345807       0.42629950 
Hf       2.82782601       2.12539232      -9.38203454       0.20450710      -0.17377574      -1.15242898 
Hf       8.02611200       3.07868103      -4.16565358       0.26606200      -0.98688099      -0.35988704 
Hf       8.03667706       2.02820240      -9.43029534      -0.03236576       0.45268824      -0.64499213 
Hf       2.75117577       8.25492083      -4.12761668       0.56541448      -1.82593717      -0.61567498 
Hf       2.82439108       7.25772381      -9.40396901       0.47904815      -0.78667137       0.31449122 
Hf       8.01553375       8.19490772      -4.07086501       0.59509462       0.63634735      -1.52095901 
Hf       7.98332976       7.28650377      -9.42405106       0.47930508      -1.16407178       0.93879069 
Hf       0.24424342       0.80238670      -3.70569099      -0.87802983       0.25724281      -0.44688620 
Hf       0.27914328      -0.17216701      -8.99363177      -1.06094712       0.84519479       0.20033842 
Hf       5.32101595       0.79262816      -3.69456489       2.00952121       1.31063123      -0.58976639 
Hf       5.47109140      -0.15962023      -8.96073532      -0.51850218       0.64980820      -0.45823888 
Hf       0.19830813       5.97856113      -3.66239677       0.42974833      -0.98260358      -1.23876373 
Hf       0.22198180       5.00826467      -8.99107456      -0.33047587      -0.30036897       0.37823284 
Hf       5.48563968       5.92757588      -3.70280869      -1.61330160       0.07720984      -0.39690920 
Hf       5.43685059       4.98189482      -8.93772760      -0.42563832       0.21531680      -0.44027883 
Hf       2.34617869       1.14344558      -1.09920397       1.20208976       1.87518853      -0.14810612 
Hf       2.36460858       0.40111855      -6.46275893      -0.14060224      -0.61420083       1.51689512 
Hf       7.58526852       1.21736592      -1.14792196      -0.05610545       0.57079364       0.03368760 
Hf       7.59167268       0.33016217      -6.32660582       0.62284767       0.46261291       0.22505161 
Hf       2.34158556       6.36338305      -1.05966790       0.34277216      -0.32681047      -0.96139074 
Hf       2.35975663       5.49476675      -6.30027519       0.34956944      -0.38711347       0.18464225 
Hf       7.53823601       6.36630373      -1.07131777       1.41864172      -0.32337074       0.61380150 
Hf       7.59864155       5.57228078      -6.36831583       0.31291633      -1.57524341       0.33134497 
Hf       4.99229559       3.49560013      -1.55184250       0.01860233      -0.30384318      -0.18460984 
Hf       5.02247295       2.59077744      -6.73108206      -0.11691013       0.39941821      -0.57049685 
Hf      10.23356488       3.40780268      -1.55047522      -0.86302724       0.30400618      -0.10745889 
Hf      10.11048280       2.60920014      -6.85309318       0.19330942      -0.41218087       0.92826738 
Hf       4.98617820       8.58057739      -1.50366823      -0.61775406       0.50036914      -0.09398378 
Hf       4.93572719       7.72352051      -6.77181509      -0.12778853      -0.32806694       0.67270786 
Hf      10.07419407       8.57971499      -1.45848978       1.90636706      -0.53590762      -1.63373893 
Hf      10.18481154       7.67475338      -6.83246720       0.14561306       0.73908292       1.45560161 
O       1.29329716       1.41900157      -8.03300559       1.05815243       0.24404255       0.07186262 
O       6.58229240       2.36372011      -2.77958728      -0.35895923       0.29217396       0.29722893 
O       6.53417516       1.49106017      -8.03990479      -0.07184179      -0.81826846       0.23980089 
O       1.27658074       7.44623372      -2.70522875       0.96954036       0.91027351       0.02306480 
O       1.30541775       6.53985507      -7.99813431       0.90474206       0.44627679      -0.14963930 
O       6.53271002       7.66792409      -2.65556487       0.21220594      -1.19300242      -0.78363810 
O       6.56130744       6.51052530      -7.92222852       0.45307002       1.37047220      -1.22573786 
O       3.93300605       1.43874125      -5.17209611      -0.36963015      -0.11935437      -0.05803486 
O       4.03426332       0.63848456     -10.47754031      -0.73609310      -0.70975923       1.43926589 
O       9.16555654       1.38920348      -5.20951012      -0.07526174       0.28282361       0.71150010 
O       9.27775188       0.45965600     -10.40227915      -1.45467032       0.05883859      -0.18574713 
O       3.88877155       6.62746412      -5.12594079       0.40584371       0.28514414       0.60511672 
O       3.92394353       5.62426642     -10.39923566      -0.29580220       0.54662207       0.49295249 
O       9.16328574       6.64226152      -5.07839866      -0.73530348      -0.11082306      -0.86918594 
O       9.14580573       5.65611675     -10.42566679      -0.77139373      -0.34636574       0.69861191 
O       3.91859232       1.98999661      -2.61880799      -1.41898518      -0.74308391       0.95620622 
O       3.91940007       1.02371189      -7.70994901      -0.67515984      -0.63309929      -0.76224629 
O       9.03672592       1.86216373      -2.50667897       0.95088710      -0.04116444      -0.45884786 
O       9.08942175       1.06413477      -7.82737453      -0.68121011      -1.28742338       0.24689854 
O       3.84478102       7.05162537      -2.48028732       0.18369271       0.49798179      -0.17115588 
O       3.96361129       6.16346831      -7.69346928      -1.47612701      -0.81873618      -0.64945812 
O       9.07591884       6.98382736      -2.52856218      -1.15676132       0.17324662       0.93915043 
O       9.13696213       6.13668389      -7.76469454      -0.86787764      -0.47246332       0.11075319 
O       1.28844188       2.78473917      -0.12944008       0.69098357      -0.17836427      -0.55206110 
O       1.22430779       2.02682715      -5.34857304       0.65312596      -0.91020544       0.08761611 
O       6.47613009       2.69483727      -0.13552769       0.58898718       0.27590321       0.11485421 
O       6.49175106       2.03096091      -5.42353220      -0.09050384      -0.70092974       0.30397774 
O       1.19473628       7.88881555      -0.14860974       0.60872212       0.46868703       0.88404398 
O       1.29467201       7.05927462      -5.35427727      -0.39684129       0.49513892      -0.18401025 
O       6.44119438       8.00026652      -0.14315626       0.26148534      -0.62542262       0.96136081 
O       6.39495414       6.98804537      -5.38383012       0.42692587       1.02443489       0.55539867 
O       3.49615254       4.70632108      -0.86401869       0.11814604      -0.23447362       0.83218289 
O       3.58074835       3.84498221      -5.91186779       0.11492987      -0.09002036      -0.95996574 
O       8.61413111       4.51263775      -0.90525869       0.20524430       0.67452079       0.59813768 
O       8.64038250       3.71983835      -6.09020825      -0.15854242       1.06289956      -0.07038739 
O       3.48895789       9.80567295      -0.72482063       0.58355272      -0.49718090      -0.74055822 
O       3.39828531       8.92122920      -6.16705437       0.04229081       0.19516516       0.68359181 
O       8.63825166       9.70164575      -0.79589153      -0.80948445       1.51112556       0.03020614 
O       8.74486980       8.93036880      -6.03331776      -0.59316270      -0.04681580       0.14222977 
O       0.95458529      -0.04211226      -1.73347973      -1.26270469      -0.19341102      -0.86779414 
O       0.93744307      -0.92251581      -7.16908519       0.32086582       0.27791248       0.70695638 
O       6.06885702       0.10766224      -1.80913760      -0.74193475      -0.92114451       0.07060078 
O       6.09544474      -0.89231277      -7.05083632       0.12761413       0.44391900      -0.34320875 
O       0.97319067       5.04160734      -1.89794042       0.01649534       0.48348239       0.51580053 
O       1.00556797       4.14353753      -7.15613450      -0.03447364       0.99145410      -0.04796378 
O       6.19111390       5.17276781      -1.79779193      -1.28037661      -0.05522924      -1.17355370 
O       6.16537974       4.25738186      -7.21348775       0.08844008      -0.50693412       1.72706278 
O       1.69529591      -0.37143034      -4.40973579       0.14918307       0.38382744      -0.74506849 
O       1.74039010      -1.30887620      -9.70759794       0.43574360      -0.73408570       0.07686047 
O       6.97027184      -0.28393245      -4.41099670      -0.18262583      -0.76132633      -0.11979206 
O       6.91600707      -1.38013382      -9.68975072      -0.20567134       0.80271899      -0.07839759 
O       1.61774576       4.73357095      -4.48080648       0.88095833      -0.61821574      -0.20593554 
O       1.61468821       3.75976809      -9.69195816       0.83789715      -0.20060128      -0.85098537 
O       6.99177850       4.81075731      -4.45801202      -0.31320537      -0.14451338       0.15667225 
O       6.83756107       3.73743140      -9.71365667       0.40886339       0.50407755      -0.80726948 
O       4.38412014       4.23343198      -3.46780171       0.07755452       0.51276260       0.32778877 
O       4.22433912       3.32034051      -8.60485758       0.25143571       0.64764892      -0.14349493 
O       9.51794557       4.24268443      -3.50520164       0.05062434      -0.70452487       0.78627720 
O       9.41568471       3.33329782      -8.71189582       0.39242748       0.67997951      -0.16949268 
O       4.30191067       9.43416538      -3.45717522      -0.70552872      -1.34502672       0.50269743 
O       4.38772266       8.35517613      -8.73665347      -0.05985737       0.95842207       0.05646000 
O       9.52317646       9.32807205      -3.40411629      -0.02440030       0.22216100       0.54619594 
O       9.46837244       8.46373671      -8.61993327      -0.20001509      -0.02461623      -0.92274175 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004505061318642855 0.0011301718839810948 0.0018399658512855018 0.0011301718839810948 -0.006334479631173508 0.0014810125046108775 0.0018399658512855018 0.0014810125046108775 -0.004315709766472209" pbc="T T T" energy=-961.50310591 free_energy=-961.50310591 config_type=crystal 
Hf       2.89917139       3.06460571      -4.16194435      -1.42290920       0.71883618      -1.07010356 
Hf       2.79495320       2.09654673      -9.32321772       0.19434069      -0.07717155      -0.24489267 
Hf       8.01143696       2.98503514      -4.22331576       0.67596676       0.37868504       0.73562713 
Hf       7.97082691       2.16924881      -9.38260158       0.17313934      -0.84115919      -0.62035095 
Hf       2.86114197       8.12893232      -4.15384021      -0.81348457       0.99778511       1.05265064 
Hf       2.79901507       7.26704461      -9.37714768       0.41486442       0.86676558      -1.38366216 
Hf       7.96601994       8.16040789      -4.15612272       0.35997902      -0.11168546      -0.74855678 
Hf       8.05294380       7.19930238      -9.38149313      -1.14827364       1.08346339      -0.77303852 
Hf       0.25991365       0.81438370      -3.61988578      -0.34806572      -0.65231364      -1.31209999 
Hf       0.20060823      -0.10137262      -8.98168189      -0.03079592       1.15829089       0.85702344 
Hf       5.44367837       0.83445393      -3.70879654       0.00781289      -1.21601683       0.26703974 
Hf       5.47227849      -0.11325421      -9.00187073      -0.92986350       0.54005000       0.53185260 
Hf       0.18574626       5.92293742      -3.73244648       1.14004631      -0.95986114      -0.55816960 
Hf       0.22334822       5.02831199      -8.95007135       1.21524754      -1.56919639      -0.42488018 
Hf       5.42340337       5.89809581      -3.80254398       0.74727462       0.29880103       0.39608647 
Hf       5.39586202       5.05365012      -8.97942342       1.03628016      -0.32838817       0.66786877 
Hf       2.28821373       1.20197035      -1.11919194       0.60935135       0.01594673       0.51812077 
Hf       2.34929131       0.30066872      -6.24943156       0.92198287       0.95920455      -0.05283035 
Hf       7.62067750       1.25962802      -1.10249506      -0.73570071      -0.35143538       0.17803045 
Hf       7.58703435       0.28709863      -6.35318627       0.80639981       0.61353509       0.13380880 
Hf       2.38766548       6.35317829      -1.08589437      -1.11085138      -0.41789947      -0.59903247 
Hf       2.44642873       5.61119131      -6.38003689      -0.88470621      -2.15847907       1.63590505 
Hf       7.55862073       6.30550507      -1.17401591      -1.30596156       0.43049673       0.40301119 
Hf       7.62245497       5.47874616      -6.36904488      -0.66697012       0.25841962       0.43608243 
Hf       4.87942166       3.51267331      -1.49161744       1.30486571      -0.19245136       0.21062136 
Hf       4.95799899       2.58255556      -6.81998074       0.28293254      -0.03662757       1.30231879 
Hf      10.16623639       3.46278423      -1.51759904       0.07785027       0.30321030      -0.25040766 
Hf      10.18789455       2.58086168      -6.74980481       0.48720159      -0.54255976      -0.15571866 
Hf       4.97177372       8.55478230      -1.51153684       0.44996862       1.04909328      -0.59805658 
Hf       4.95155659       7.78584376      -6.83791228       1.17976253      -0.36612216       1.27041145 
Hf      10.06422406       8.54795075      -1.50854260       1.27741572       0.43774870      -0.98109516 
Hf      10.19018155       7.70064755      -6.84876316       0.37331498       0.48352552       1.54267592 
O       1.44032306       1.46322596      -7.88639548      -0.71653749      -0.17775589      -0.64223460 
O       6.55195908       2.33800553      -2.72748285       0.16321456       0.02723947       0.17527214 
O       6.64655222       1.43791272      -7.99865807      -0.96354121      -0.13972974       0.75434134 
O       1.16489774       7.46520075      -2.79180523       1.05870380       0.37770991       0.49690796 
O       1.39186657       6.52943527      -8.07851208      -0.71305612       0.68578040       1.00115301 
O       6.46283414       7.43614405      -2.77439201      -0.17384449       0.52572292      -0.29124071 
O       6.57171623       6.61500707      -7.95820856      -0.21001377      -0.21266264      -1.17895617 
O       3.90835944       1.46233295      -5.11179430       0.51964255       0.34109814      -0.04528948 
O       3.83472249       0.58957211     -10.33111228       1.08444736      -0.87065995      -0.36627474 
O       9.11654146       1.44612786      -5.18442748      -0.09067131      -0.13741147       0.42319964 
O       9.09488165       0.60672718     -10.34347556       0.19897702      -0.72542851      -0.35139669 
O       3.99581362       6.73393817      -5.10663263       0.12122509      -1.09069042      -0.41121082 
O       3.97381924       5.74303731     -10.36665686       0.07579683      -0.73979092       0.60000429 
O       9.17627090       6.51472051      -5.17722176      -0.03780977       0.62845767      -0.09631941 
O       9.17195176       5.70860739     -10.29172049      -0.11842056      -0.63595590      -1.33615414 
O       3.72285413       2.04439776      -2.55959173       0.36489145      -1.23863131       1.42296872 
O       3.96123971       0.89047035      -7.69875097      -0.23179974       0.99567483      -0.15018080 
O       9.14545246       1.85624955      -2.54324505      -0.91509521      -0.04859386       0.68957196 
O       9.13842987       0.95723076      -7.74284639      -0.22167967       0.07013970       0.13430948 
O       3.79491779       6.99816799      -2.49164360       0.29897436       0.22898884      -0.12234887 
O       3.91380125       6.18385930      -7.64607689       0.20768745      -0.22025936      -1.89490767 
O       8.88897883       7.05321042      -2.58213134       1.17032475      -0.73846274       0.86700677 
O       9.05714067       6.10240635      -7.81883314       0.62741211       0.10602178       0.45333953 
O       1.22997341       2.81898782      -0.13812753       0.14114213      -0.36933789       0.22346674 
O       1.19750301       1.95294241      -5.29737481       0.72294050      -0.12152517       0.64805680 
O       6.45736106       2.83519607      -0.04752796      -0.71659137      -0.52319040      -1.01167031 
O       6.48454311       1.91992366      -5.31832537      -0.37072252      -0.10750754      -0.60815151 
O       1.31893438       7.84956011      -0.13625076      -0.92205716       0.86249847       0.19224734 
O       1.34694090       7.11729949      -5.40164846      -0.60851985       0.24082389      -0.67036683 
O       6.54594030       7.91333628      -0.16802123      -0.44108457      -0.00753894       0.73004380 
O       6.48020370       7.01114959      -5.44176300       0.05796721       0.34624057       0.39939456 
O       3.45156353       4.63905302      -0.72075007       0.63450258       0.52748290      -0.43654835 
O       3.66932354       3.94614870      -5.95498676       0.02210366      -0.87402214      -0.10515316 
O       8.55251375       4.60957280      -0.92399709       0.81499820      -0.21480017       0.67907748 
O       8.79159184       3.83340361      -6.03506128      -0.16211528      -0.31465423       0.02008249 
O       3.39204999       9.73171789      -0.78456318       0.26401640       0.61950848      -0.47122863 
O       3.53950116       8.94744787      -6.04488773      -0.71627319       0.16180785       0.50429708 
O       8.61874440       9.76952846      -0.86881137       0.17015624       0.09334993       1.01548075 
O       8.74939467       8.87451568      -6.08375365      -0.70828632       0.01376956       0.20853201 
O       0.79767334      -0.00445603      -1.78322552       0.45656635       0.15810063       0.48011153 
O       0.88525064      -0.82724552      -6.92439594      -0.76302864      -0.90553854      -1.24320628 
O       6.19050534      -0.03391916      -1.82523395      -0.69810028       0.57628457      -0.15656467 
O       6.06673355      -0.85957880      -6.99478503       0.41074563       0.51344707      -1.27415880 
O       0.97245992       5.06986422      -1.89443627      -0.07924977       0.54428662       0.39259938 
O       1.07260449       4.21980475      -7.07048322      -0.88005768       0.31888809      -0.61343844 
O       6.10040247       5.16928403      -1.88813088      -0.76749697      -0.46869906       0.25550646 
O       6.17759997       4.24058710      -7.06309365      -0.23960644      -0.09933078      -0.74131177 
O       1.82540609      -0.38967644      -4.32372655      -0.45458277       0.34160777      -0.23726509 
O       1.63937524      -1.29532309      -9.65905405       0.84781706      -0.74352017      -0.32594657 
O       6.87249127      -0.45805073      -4.50677075      -0.13640604       0.47229618       0.37814736 
O       6.88627077      -1.35035006      -9.68920133       0.66779298      -0.20368002      -0.10229109 
O       1.81627895       4.85671936      -4.47717191      -0.38338540      -0.39722516       0.45861588 
O       1.71754538       3.77769536      -9.77509150      -0.88088121       0.28970304       1.02742986 
O       6.98698702       4.75633296      -4.45028874      -0.08884515      -0.31962724      -0.07158771 
O       6.72499698       3.72488346      -9.74323220       0.33495190       0.79921749      -0.14665868 
O       4.40390659       4.19899315      -3.39471722      -0.48004508       0.21651212      -0.14768785 
O       4.23068894       3.37627759      -8.55695045      -0.16396377       0.01495768      -0.60226515 
O       9.61100376       4.11782296      -3.40213546      -0.62996148       0.32062402      -0.79788261 
O       9.47474699       3.27368470      -8.71846541       1.00787848       1.20818235       0.53036602 
O       4.37389328       9.36726428      -3.33776856      -0.55543106      -0.08561265      -0.59667272 
O       4.25369877       8.51988398      -8.69216627       0.21893277      -0.46477571       0.03679059 
O       9.47156808       9.32733557      -3.38690384      -0.09308114       0.27190202      -0.36607580 
O       9.59229447       8.44270286      -8.71616126      -0.65128763      -0.47088287      -0.03468804 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0028137964201156323 0.003143863556993429 0.0006267876193940279 0.003143863556993429 -0.005346741581912865 0.0030251021623196065 0.0006267876193940279 0.0030251021623196065 -0.009849719422394407" pbc="T T T" energy=-961.2950798 free_energy=-961.2950798 config_type=crystal 
Hf       2.77999741       2.98886692      -4.11911341       0.74498899      -0.89738930       0.28118187 
Hf       2.75969674       2.14792677      -9.36018587       0.20549523       0.29781960      -0.05726206 
Hf       8.03285822       3.01735965      -4.19701053      -0.01574255      -0.13260197       0.06263640 
Hf       8.07474721       2.14693808      -9.39258217      -1.22546936       0.11036111       0.72609163 
Hf       2.80604432       8.17631380      -4.06973998       1.07809360      -0.66236119      -1.40203375 
Hf       2.80716096       7.28802736      -9.43794711      -0.62058132      -0.10843340       1.57383058 
Hf       8.07333101       8.10018376      -4.19007027       0.13566362       0.51875731      -0.26954858 
Hf       8.01287311       7.28490992      -9.42792924      -0.05664649      -0.19950437       1.37413681 
Hf       0.22561809       0.82451152      -3.74648314       0.60721740      -0.29508490       0.23256330 
Hf       0.18930245      -0.08604533      -8.96536230      -0.21479088      -0.59263315       0.95983854 
Hf       5.42445892       0.78693684      -3.72244300       0.65014592       0.20500498      -0.84834613 
Hf       5.42035527      -0.13088935      -9.04035748      -0.34632521       0.37722706       1.15760769 
Hf       0.26844200       5.92496155      -3.72685513      -0.80551196      -0.71047900       0.73923206 
Hf       0.25438580       5.03859326      -9.00443739      -1.22805884       1.13325796       0.96805583 
Hf       5.43129345       5.86068328      -3.74983388       0.11320304       0.27129966       0.31535070 
Hf       5.32977590       5.05185425      -8.98257664       0.39029501       0.94654730       0.38357184 
Hf       2.40661738       1.20028995      -1.01107256      -1.38431510       1.29737381      -1.33517048 
Hf       2.40233959       0.32191509      -6.29108486      -0.05684399       0.02062999      -0.10636010 
Hf       7.54682993       1.26408216      -1.10086338       0.57442728      -0.15258502      -0.13532457 
Hf       7.53795922       0.31044976      -6.36293207       0.95569806       0.13838945       0.18982237 
Hf       2.36829693       6.39682737      -1.15182534       0.62075498      -0.38987411       1.23091924 
Hf       2.41705547       5.40029260      -6.29130590      -0.38642917       0.92802439      -0.42929379 
Hf       7.53247688       6.27509143      -1.09239255       0.40085993       1.28192164      -0.03373224 
Hf       7.54393249       5.50475649      -6.40274976       0.46422417      -0.72063661      -0.14671217 
Hf       4.94916121       3.42761079      -1.50213116      -0.66306190       0.71978240      -0.30574493 
Hf       4.96039510       2.58506192      -6.79012034       0.62512187      -0.91067558      -0.02406540 
Hf      10.17012174       3.43385166      -1.56582508       0.82011693       0.23836525       0.19186885 
Hf      10.21060160       2.59086172      -6.74105719      -1.48952284      -0.05749991      -0.49554548 
Hf       5.02311435       8.66943624      -1.55980331      -0.96895697      -1.11940405       0.85407119 
Hf       5.01595658       7.71446305      -6.75873871      -0.73200270      -0.24822679      -0.55159802 
Hf      10.09792405       8.62685034      -1.60331742       0.43035713       0.35081358       1.55367525 
Hf      10.26147519       7.73903849      -6.71358241      -0.76230007      -1.28636695      -1.03513683 
O       1.22336674       1.54707813      -7.95729680       0.25366909      -0.80769924      -0.82182006 
O       6.52663284       2.34619384      -2.85334685      -0.13796129      -0.01341733       1.36449808 
O       6.41222572       1.51702562      -8.13959966       0.47741080      -0.28580738       0.87555787 
O       1.37296340       7.47134794      -2.69500265       0.04612882       0.75539304       0.08711015 
O       1.38248060       6.70081806      -7.95851276      -0.38688720      -0.78891590       0.30688317 
O       6.69756275       7.46797710      -2.72717277      -1.44013840      -0.01654576      -0.06564758 
O       6.53206219       6.73013120      -7.96881111      -0.63489651      -1.09589367      -0.39262169 
O       3.93814987       1.34681062      -5.10083872       0.26966317       0.52186251       0.26802969 
O       3.86759592       0.64538357     -10.28616095       1.23196266      -1.21971755      -0.60808134 
O       9.22782287       1.36922270      -5.18191616      -0.57567956       0.48436661       0.42499208 
O       9.13038892       0.53468202     -10.35055180       0.13114222      -0.00560579      -0.28335991 
O       3.95783460       6.49520437      -5.08225300      -0.49282718       0.47138228      -0.45787077 
O       3.80250654       5.77115315     -10.45688797       0.97685796      -0.93579662       0.49183489 
O       9.21261013       6.54917109      -5.15837237      -0.72078547       0.02954999       0.25657842 
O       9.03317046       5.71060403     -10.25575242       0.47716576      -0.62565563      -1.84659619 
O       3.77266292       1.92689336      -2.51699421       0.44372726      -0.19363711       0.70974948 
O       3.73672673       0.99800987      -7.70453322       0.73246692       0.31524377      -0.54110871 
O       9.10506029       1.88204647      -2.54196807      -0.41030505      -0.08580017       0.33892159 
O       8.97858100       0.97985134      -7.73005584       0.44307815       0.35974148      -0.72000958 
O       3.97038846       7.04353199      -2.54620884      -0.69180315       0.19405883       0.54444170 
O       3.85703388       6.09408573      -7.69152090       0.37230911       0.10670765      -0.47046010 
O       9.09359096       7.00218807      -2.56230151       0.40226828       0.10704806       0.55785585 
O       8.95621828       6.13626029      -7.74736007       1.11727870       0.06627653       0.02709583 
O       1.31753305       2.85032727      -0.19764579      -0.86007345       0.22316021       0.41611432 
O       1.29001466       2.02952061      -5.40714824       0.56058693      -1.24254576       1.24646754 
O       6.48493264       2.80985368      -0.11193655      -0.50837976       0.04169100      -1.04059350 
O       6.51566017       1.89964129      -5.39992006      -0.71882496      -0.33371583      -0.24604790 
O       1.19937170       7.99418195      -0.02971456      -0.15725828       0.15190030      -1.42108781 
O       1.27202916       7.00131044      -5.19582576       0.95923302       0.24671870      -1.21527889 
O       6.33893559       8.04907651      -0.12033544       0.63238179      -0.62179497       0.10528167 
O       6.46133940       7.00750830      -5.39301960       0.33987174       0.46989572       0.63988143 
O       3.46226314       4.62689951      -0.73586945       0.32515137       0.87724513      -0.57741594 
O       3.41021233       3.64859370      -6.04148333       0.36723450       0.54343040      -0.13107204 
O       8.75457621       4.64538737      -0.76266830      -0.84168932       0.56206970       0.35000703 
O       8.59679106       3.68844646      -5.99789078       1.07524213       0.64562495      -1.00956891 
O       3.43803027       9.85411140      -0.72873923       1.23878004      -0.70929154      -1.09430155 
O       3.50767018       8.87902230      -6.04668385      -0.00833066      -0.07484258       0.56327242 
O       8.58085744       9.80415038      -0.83756320       0.63910461      -0.15143980      -0.09295202 
O       8.71404928       8.87399739      -6.14940278      -0.65445329       0.28089048       1.25237558 
O       0.85859184       0.08597967      -1.80806360       0.21681835      -0.11122000       0.17749487 
O       0.95304680      -0.89971660      -6.93262104      -0.29997144       0.97608884      -1.24179643 
O       6.00863289       0.09603356      -1.72345430       0.29976787       0.85532247      -0.77478382 
O       6.12482413      -0.87124139      -7.06580815      -0.88490942       0.04085788      -0.64474027 
O       0.86401589       5.20564747      -1.82824131       0.33259987      -0.53224677       0.01257088 
O       0.84258767       4.32395578      -7.13739999       0.81175832       0.27022645       0.83183078 
O       6.11163386       5.07041854      -1.89456248       0.51820493       0.37297830       0.49126910 
O       6.10751899       4.22503713      -7.12744071       0.03285634       0.94282049      -0.31352664 
O       1.66549041      -0.52000118      -4.45789221      -0.20455653       1.30296484       0.57322131 
O       1.71014603      -1.19153129      -9.63442682       0.28059903      -0.72456891       0.11877765 
O       7.00313187      -0.43642488      -4.45754926      -0.89763042       0.24566669       0.59850496 
O       6.89365837      -1.28176286      -9.71125781       0.36714823       0.13241900      -0.24121651 
O       1.70482121       4.59784511      -4.46181659      -0.94836774       1.31920601       0.21461957 
O       1.70710365       3.89415310      -9.75804159       0.12381505      -0.69206764       0.24070885 
O       6.81156559       4.62125132      -4.58633327      -0.10990575       0.46967307       0.88402761 
O       6.82454889       3.94629646      -9.75173820       0.76298392      -1.42120182      -0.12327061 
O       4.23720823       4.27084144      -3.33256678      -0.20890595      -0.60148658      -0.42581515 
O       4.29843023       3.36517376      -8.59604381      -1.10717327      -0.43458035      -0.89481364 
O       9.46010135       4.26691061      -3.34076091      -0.31971570      -0.31888935      -0.81352251 
O       9.42230738       3.38236898      -8.58600252       0.16958434      -0.24391028      -0.64839830 
O       4.32539274       9.43921697      -3.39079945      -0.56998401      -0.85897307      -0.15595682 
O       4.34753321       8.42125265      -8.73564121       0.03968239       0.10603595       0.60454147 
O       9.51944157       9.39438958      -3.37943918      -0.64795663      -0.66413724      -0.77671205 
O       9.54931294       8.41711475      -8.60236033       0.13161170       0.87321486      -1.01564258 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0007456101184421928 -0.0019553593401180156 -0.0011663333965433432 -0.0019553593401180156 -0.004819142952007804 0.0008404939021813993 -0.0011663333965433432 0.0008404939021813993 -0.0028351758919886497" pbc="T T T" energy=-962.22390818 free_energy=-962.22390818 config_type=crystal 
Hf       2.84334215       3.11815803      -4.11943651      -0.53010652      -1.43114112      -0.18427173 
Hf       2.76687955       2.07005678      -9.50541096       0.94896952      -0.21004515       1.32722799 
Hf       8.01123217       3.02838243      -4.15938620       0.47421183      -0.95531078      -0.49559875 
Hf       7.96261400       2.09395215      -9.35136286      -0.09360663       0.54583767      -0.14119810 
Hf       2.90148957       8.14311913      -4.13801121      -0.16493682       0.55176879      -0.21177742 
Hf       2.79866108       7.33286423      -9.40128474      -0.44398704      -1.53793775      -0.61456438 
Hf       8.03944764       8.17229912      -4.12441117      -0.53434498       0.11720455      -1.28797585 
Hf       7.99434285       7.26952446      -9.40055705      -0.37997199      -1.30089769       0.19615641 
Hf       0.24687029       0.77192698      -3.73744896       0.64042843       0.78626238      -0.80231106 
Hf       0.18240007      -0.10183792      -8.93760799       0.00378001      -0.26910004       0.19651647 
Hf       5.45182550       0.79535620      -3.72118608      -1.80337391      -0.03388636      -0.44332782 
Hf       5.39651162      -0.21746958      -8.98547271       0.35356269       2.04807364       0.10222840 
Hf       0.17118520       5.94487848      -3.70590762       0.69293723      -0.25695872      -0.83590802 
Hf       0.20123487       5.01475438      -9.01941595       0.76522393      -0.32220040       0.86508090 
Hf       5.48869100       5.95342141      -3.68006505      -0.63535515      -0.21736118      -0.09021651 
Hf       5.36926017       4.97616809      -8.95405349       0.06314513       0.75355108      -0.55121483 
Hf       2.31016676       1.26927749      -1.14963135       0.51948670      -0.58374084      -0.02833726 
Hf       2.42543815       0.37149003      -6.30056070      -0.07722217      -0.22138444       0.09941959 
Hf       7.58719779       1.21884799      -1.08125080       0.05170972      -0.34422207       0.37844912 
Hf       7.56496453       0.33115901      -6.38656658      -0.02231030       0.69831467       0.78759688 
Hf       2.31976926       6.32452231      -1.14038054       1.35954189       0.22635750       0.35370735 
Hf       2.40658859       5.51097928      -6.31954712      -0.29621307      -0.40934229      -0.46091001 
Hf       7.61016699       6.34620618      -1.10873283      -0.93355838       0.38755753       1.32959013 
Hf       7.61581983       5.45268524      -6.33934765      -0.78612559       0.63452602      -0.28405963 
Hf       4.98870699       3.44674662      -1.57979201      -0.27911537      -0.28723631       1.42489399 
Hf       4.94565065       2.58291183      -6.79695433       0.22818281      -1.02821337       0.67411956 
Hf      10.14084584       3.45634327      -1.49797156      -0.53989093       0.10900608      -0.84897860 
Hf      10.19944824       2.59062434      -6.79504091       0.31890776      -0.32281949       0.01201888 
Hf       4.97500780       8.63618925      -1.49093669      -0.80837248      -0.36373397       0.46525052 
Hf       5.01021230       7.71287111      -6.82580699       0.00279761      -0.46640119       0.86169302 
Hf      10.19948419       8.57400091      -1.50042355       0.37020494       0.54648361      -0.62850062 
Hf      10.18102178       7.74879672      -6.79080508      -0.40345142      -0.40025713       0.27308420 
O       1.33526554       1.50174805      -8.00955579      -0.19133135      -0.60526682      -0.22341049 
O       6.46344395       2.32607035      -2.71543973       1.24024592       0.79509192       0.23817247 
O       6.49860460       1.45608847      -7.90668387       0.14128902       0.09936468      -0.52837922 
O       1.37443103       7.57416822      -2.81125242      -0.43555404      -0.73336250       0.95989549 
O       1.30305365       6.60633885      -7.99942976       0.04858053       0.03941481       0.00767426 
O       6.60776598       7.41207763      -2.68428061       0.34242805       0.85800056      -0.77960527 
O       6.42866202       6.60265879      -8.02642162       0.87122663       0.03991258      -0.03983539 
O       3.90370241       1.41272422      -5.15917829       0.81746330       0.69205938       0.61648139 
O       3.93662738       0.46486775     -10.40364129      -0.06311448       0.29605386      -0.13309790 
O       9.13974216       1.45523407      -5.22777463      -0.21055061      -0.22994417       0.89779653 
O       9.12440234       0.49478354     -10.32034288      -0.05782524       0.22862350      -0.54577543 
O       4.04345499       6.55584134      -5.09808652      -0.82738699       0.02085126      -0.40960407 
O       3.94449180       5.74627224     -10.36258946       0.00845019      -0.52921293       0.09382779 
O       9.12987491       6.57231867      -5.13853834       0.06591837       0.45725229       0.44428686 
O       9.11500505       5.69308464     -10.42018370       0.52757591      -0.48705526       0.46986634 
O       3.80162150       1.91974460      -2.51394526      -0.45621971       0.09919211      -0.23294489 
O       3.87569859       0.85190943      -7.70389227       0.20445382       0.67138397      -0.80330211 
O       9.09296973       1.87710512      -2.45450775      -0.80416098      -0.24267966      -0.41564126 
O       9.03689289       1.04237457      -7.79238038       0.00808044      -0.21824724       0.29481822 
O       3.92941548       7.03648148      -2.41008576      -0.33010013      -0.30600402      -0.88266891 
O       3.92614898       6.10763895      -7.84471981      -1.56789643       0.53348948       1.73870262 
O       9.16054987       6.91694914      -2.49482254      -0.86268635       1.02145296       0.25522165 
O       8.99066106       6.19233033      -7.71185434       0.62533200      -0.43367053      -0.80341950 
O       1.22781358       2.91292975      -0.23038283       0.72361663      -1.20729567       0.75968380 
O       1.26627045       1.97694863      -5.32441413      -0.01447974      -0.15585873       0.09531999 
O       6.54810283       0.97432065     -10.47039141      -0.90017706      -0.17818922      -1.42186392 
O       6.50159452       1.97194812      -5.31515913      -0.37444396      -0.30705567      -0.33785578 
O       1.28833829       7.84174734      -0.11032639      -0.84693256       0.53858854      -0.41052093 
O       1.31311572       7.09699461      -5.38691803      -0.23111618      -0.29581467      -0.17241327 
O       6.49482337       7.96901431      -0.15810626      -0.13939667      -0.36085025       0.08826388 
O       6.47967660       7.09288954      -5.36976501       0.33473554      -0.29156479       0.19454919 
O       3.42072326       4.58377126      -0.85072779       0.22210240       0.26917791      -0.01194315 
O       3.48240223       3.75263298      -5.97252610      -0.04141018       0.89371244      -0.16810763 
O       8.62539284       4.63549981      -0.77854697       0.36022548      -0.53979495      -0.21973805 
O       8.78193084       3.81771129      -6.07882110      -0.81358748       0.19283598       0.61158535 
O       3.34815785       9.72692755      -0.79925308       0.34678979       0.85002829      -0.48311867 
O       3.60709897       8.96234411      -5.95140196      -0.04982109      -0.60447496      -0.77118345 
O       8.71776558       9.72469367      -0.77547954      -0.43222497       1.16939434      -0.54870359 
O       8.60557273       8.90536746      -6.10153849       0.49229714      -0.34635748       0.86833991 
O       0.79694591       0.12480089      -1.86449301       0.31268616      -0.76426529       0.58802151 
O       0.88503816      -0.86050752      -7.03778650       0.08706392       0.36313738      -0.44385516 
O       6.02161796       0.07403436      -1.83189006       0.81598131       0.04480588       0.41036668 
O       6.13174168      -0.89928903      -7.16518821      -0.12364911      -0.46480144       0.08869011 
O       0.82211827       5.17789577      -1.84824125       0.15081451       0.23563917       0.22676803 
O       0.99346972       4.21573090      -7.12160427       0.03778118       0.92701589      -0.01932320 
O       6.02477879       5.16078151      -1.72474650       0.76142181       0.32847651      -0.42948937 
O       6.10684019       4.27610398      -7.05988950      -0.25640464      -0.29192679       0.10072789 
O       1.81135239      -0.38591664      -4.44725249      -0.94373832       0.04943573       0.46680771 
O       1.52765432      -1.36690454      -9.77261787       0.20127230       0.61987435       0.08357879 
O       6.78836531      -0.43087604      -4.47408747       1.41719195      -0.88969063      -0.25758717 
O       6.86986585      -1.43034565      -9.77303359      -0.70589017       0.88834176      -0.03919850 
O       1.70630526       4.80804015      -4.36944694       0.83695154      -0.41043791      -0.65676606 
O       1.72293835       3.73554981      -9.74205067      -1.05060592       1.30113415      -0.18241165 
O       6.93786150       4.71717456      -4.42489412       0.00974461       0.28918347       0.18679898 
O       6.85989397       3.84023751      -9.65945076       0.60583634      -0.51977694      -0.41584476 
O       4.32918021       4.25790752      -3.34322666       0.07441306       0.14964120      -0.74932485 
O       4.20336880       3.26930857      -8.56735264       0.16235318       0.30784668      -0.88444880 
O       9.59921773       4.07710964      -3.50797096       0.06426197       0.97159073       0.50877219 
O       9.43738026       3.39932217      -8.70677531       0.31955301      -0.38198821       0.30889121 
O       4.25195185       9.40703193      -3.36598783       0.64724519      -0.17871229       0.32504498 
O       4.20758633       8.51608316      -8.69790915       0.22214234      -0.44963141       0.65231373 
O       9.53193891       9.35278593      -3.47054047      -0.57147085      -0.74197602       0.44063569 
O       9.35798407       8.52216070      -8.61109356       1.04558937       0.47582264       0.03742444 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0038064797918189674 0.0017245932964745957 -0.0026842638596564898 0.0017245932964745957 -0.0011176637686211332 0.001358290716358954 -0.0026842638596564898 0.001358290716358954 -0.005604372247996293" pbc="T T T" energy=-961.6093925 free_energy=-961.6093925 config_type=crystal 
Hf       2.79858897       2.96160346      -4.25470368       0.44761494       1.30330459       1.39366376 
Hf       2.83447196       2.18990200      -9.41977701       0.52008656       0.33769579      -0.42083708 
Hf       7.96037344       2.97667870      -4.18322631      -0.20166290       1.09260605       1.05668367 
Hf       8.04211992       2.11303004      -9.40117060      -0.14651245      -0.95379274       0.88859478 
Hf       2.81494038       8.15976969      -4.14372416       0.15746322       0.59701638      -0.43307186 
Hf       2.89413552       7.21004157      -9.47796915      -0.85154082       0.69149776       0.44239802 
Hf       8.07240461       8.14817173      -4.16612537      -1.79145315       0.19545219       0.09108964 
Hf       8.07622699       7.30692097      -9.36166635      -0.63372925      -0.39810291      -0.07674240 
Hf       0.18543040       0.80171202      -3.79097464       0.09435000      -0.00883788       1.80015591 
Hf       0.32835577      -0.11696931      -9.05392497      -0.37372416       0.17427321       0.89212234 
Hf       5.38143084       0.79754162      -3.69579755       0.57806153      -0.22154737       0.31926685 
Hf       5.33594691      -0.09767512      -8.95150363       0.67475030      -0.43604086      -0.01848782 
Hf       0.21077274       5.88356732      -3.73770413      -0.45260510       0.10754241      -0.25107023 
Hf       0.19730339       5.11311982      -8.91116280       0.40446642      -0.98033841      -0.20010590 
Hf       5.38086353       5.92784366      -3.67609152      -0.49866743      -0.33996370      -1.54466056 
Hf       5.46122155       5.06116589      -8.93329425      -0.31571157      -0.08342853      -0.00577221 
Hf       2.39184404       1.23960988      -1.13836926       0.01510334      -0.25901903      -0.37477370 
Hf       2.36809058       0.36440334      -6.27705808       0.35566377      -0.53142497      -1.54708479 
Hf       7.59568790       1.19339637      -1.04383722      -0.08504537      -0.29828559      -0.54511809 
Hf       7.51358608       0.35126036      -6.36774554       0.40292326      -0.46196976       1.14768056 
Hf       2.33000433       6.35856716      -1.15318947       0.58428685      -0.44243136       0.51789839 
Hf       2.38297571       5.47714607      -6.33169703      -0.60485979       0.38628154      -0.27521809 
Hf       7.60206266       6.29440170      -1.05243037      -1.11608664       0.84478843      -0.83152747 
Hf       7.55976626       5.48835124      -6.31771120      -0.43729741       0.94330279       0.04066525 
Hf       5.02466208       3.40231754      -1.56756125      -0.79290486       0.54842983       0.39167760 
Hf       4.97982038       2.53657959      -6.79039745      -0.15547984       0.98464109       0.24091198 
Hf      10.19217296       3.45686079      -1.49682836      -0.87644606      -1.05909117      -1.46571123 
Hf      10.10404071       2.59008261      -6.76330321       0.05593282       0.06351863      -0.49100938 
Hf       4.98222822       8.59314290      -1.50707053      -0.20290550       0.02370122      -0.93735277 
Hf       4.94469734       7.68437920      -6.78129659       0.17513353       0.45963098       0.47657580 
Hf      10.18531879       8.61975130      -1.50367285       0.38482754       0.35493037      -1.01201356 
Hf      10.17460692       7.76466462      -6.76933432      -0.13813781      -0.02489948      -0.35084620 
O       1.37213841       1.54775403      -8.10391153      -0.56695163      -0.49549276       0.52310718 
O       6.59190509       2.29483058      -2.68088976       0.05822121       0.42495457       0.09479632 
O       6.52354443       1.44276343      -7.91769846       0.00848004       0.68395940      -0.57970635 
O       1.39467060       7.46692524      -2.79537690      -1.43703194      -0.17351264       0.13155085 
O       1.30327361       6.64777574      -8.05145764       1.01131602      -0.14205386       0.27873271 
O       6.45679894       7.43176264      -2.83446197       1.19625598       1.19319273       1.19693873 
O       6.57793160       6.59650562      -7.93417472       0.09331689       0.17807630      -0.91111458 
O       3.95863309       1.42706260      -5.19721551      -0.86348847       0.37097815      -0.00163223 
O       3.91088782       0.57940775     -10.41447107       0.52908951      -0.21143903       0.35540012 
O       9.02121258       1.46589372      -5.07613610       0.33880566      -0.13594569      -0.98745552 
O       9.17674720       0.50990150     -10.42015461      -0.25562641       0.04425189       0.88644779 
O       3.82190543       6.54188632      -5.11903697       0.57109214       0.33879268       0.27253672 
O       3.97733864       5.68041598     -10.40977836      -0.18217926      -0.04875707       0.35193250 
O       9.10575613       6.53043909      -5.16455113       0.11756383       0.79496127       0.40644643 
O       9.18215992       5.78481475     -10.36546830      -0.26439346      -1.54766825      -0.01707405 
O       3.80903934       1.96599734      -2.56806801      -0.41953100      -0.67463189       0.02720555 
O       3.83114937       1.01280757      -7.77521802       0.36079971      -0.15256419      -0.10535804 
O       9.16401732       1.66581767      -2.41372201      -0.34657850       1.32046586      -0.31402255 
O       9.09049840       0.95741104      -7.73609326      -0.61388848       0.14712806      -0.14428469 
O       3.76344319       7.10586569      -2.49228455       1.14634111      -0.09055046      -0.36972308 
O       3.91272461       6.07418447      -7.72323330      -0.50382716       0.35266978      -0.64931939 
O       9.10792292       7.02480553      -2.53531028      -0.72681144      -0.46632418       0.84012880 
O       9.12444972       6.13783766      -7.75543019      -0.67080806       0.14536036       0.35299405 
O       1.24287836       2.84144375      -0.23177794       1.14792685      -0.58091086       0.67329845 
O       1.15412404       1.93910979      -5.37857342       0.69815819       0.17258547       0.11499743 
O       6.54732750       2.81759656      -0.13527673      -0.60394563      -0.22705168       0.73128807 
O       6.33154155       2.02201087      -5.21257671       0.76840971      -0.11875209      -1.57772352 
O       1.32099894       8.03348226      -0.18710205       0.07064121      -0.75529216       0.31371624 
O       1.20857293       7.04263574      -5.43606108       0.08141733       0.49165831       0.57486239 
O       6.43732400       7.98395920      -0.16921178       0.99433734      -0.93142019       0.68964025 
O       6.36478342       7.14821492      -5.40085325       0.54287892      -0.49190599       0.36060013 
O       3.56264097       4.67760909      -0.84589017      -0.96907266       0.59217095       0.73579887 
O       3.43369357       3.80386812      -6.09115688       0.60519359      -1.30303043       0.31050662 
O       8.68817319       4.61906645      -0.72156166       0.03401119       0.88513322      -0.41571968 
O       8.68610884       3.85799042      -5.97294381       0.39027756      -1.21869741      -0.32955462 
O       3.52647880       9.86398093      -0.86037740       0.04615290      -0.90360532       0.81167835 
O       3.45348168       8.88612846      -6.07052837      -0.40762299       0.31186738       0.05026046 
O       8.69730272       9.74871280      -0.78855781      -0.62523701       0.82755203       0.21409500 
O       8.54142097       8.87470113      -6.07102767       1.05969510      -0.14759160      -0.34954078 
O       0.97104632      -0.01294236      -1.84237374      -0.37404706       0.37093751      -0.21748263 
O       0.82990185      -0.71723559      -7.08491239      -0.02330892      -0.79689571       0.45834932 
O       5.95498510       0.03966104      -1.74145860       1.17946859       0.80266583      -0.22518649 
O       6.04821867      -0.82242099      -7.06653784      -0.55471616      -0.35049163       0.03827856 
O       0.91993812       5.10445842      -1.93756143       0.11735274       0.34421552       0.90758805 
O       0.86634986       4.24876052      -7.02854672       0.18451513       0.70444583      -0.37230354 
O       6.01727928       5.14145583      -1.89011223       1.95922965       0.79409674       1.46943465 
O       6.05373820       4.31540999      -7.03098118       0.13768924      -0.56184602      -0.11222964 
O       1.80011331      -0.25407078      -4.42599017      -0.38655667      -1.24529684       0.08518259 
O       1.83617189      -1.30948047      -9.68683597      -0.76034368       0.62373127      -0.19730750 
O       6.94994988      -0.29718599      -4.38259755       0.08758166      -0.74808971      -0.28718647 
O       6.89821358      -1.36090468      -9.60505741      -0.08425556       0.90836803      -0.55548589 
O       1.71625168       4.76875403      -4.40617126       0.47546954      -0.98073505      -0.57169681 
O       1.61794162       3.83523626      -9.72695860       0.48220078       0.23857979      -0.45056255 
O       6.90085241       4.84105913      -4.47549550       0.06783231      -0.90597302       0.51952515 
O       6.87386871       3.78656832      -9.67085198       0.55354937       0.38203182      -0.66490184 
O       4.32490169       4.19488639      -3.36543592      -0.77316011      -0.35901865      -1.31630143 
O       4.37594682       3.34973357      -8.62360795      -0.95867343      -0.44191893      -0.76408236 
O       9.42670351       4.14014327      -3.35158344       0.26376095       0.35802940      -0.19746311 
O       9.45421545       3.32763655      -8.58897345      -0.14109226       0.57221079      -0.61629001 
O       4.19923783       9.50607134      -3.50804835       0.24162816      -1.60274009       0.69144064 
O       4.28315692       8.46611208      -8.63286947       0.16194511      -0.10431776      -0.60904760 
O       9.49881766       9.33321313      -3.41988754       0.50285812       0.07586691      -0.25577772 
O       9.60749184       8.41478032      -8.69257957       0.03763150       0.75152458      -0.25961644 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004288979879489701 0.0008805887326551608 -3.9109221284674986e-05 0.0008805887326551608 0.000844891738168097 -0.001152113141607515 -3.9109221284674986e-05 -0.001152113141607515 0.001923123156335599" pbc="T T T" energy=-961.81258854 free_energy=-961.81258854 config_type=crystal 
Hf       2.83686609       3.02902093      -4.12893251       0.06475804      -0.48551487      -1.27958365 
Hf       2.87784344       2.15587919      -9.48268328      -0.17692900      -0.37071692       0.72909161 
Hf       8.00477044       3.09648226      -4.17345740      -0.19048620      -0.43646285      -0.09901602 
Hf       8.00020443       2.06179586      -9.39597218       0.25633075       0.19456541      -0.28552293 
Hf       2.76601612       8.16184833      -4.19778253       1.74553913       0.17101378       0.29394419 
Hf       2.83560803       7.16756660      -9.40626821       0.09932041       0.56037721      -0.13485413 
Hf       7.99926587       8.12858511      -4.10234513      -0.01705785       0.31604057      -1.37132375 
Hf       8.00579887       7.23400863      -9.38716397       0.14347054       0.73490393       0.90759888 
Hf       0.14958451       0.81662518      -3.71805900       0.92897569      -0.26358025      -0.70988192 
Hf       0.29993675      -0.11752342      -9.03513470       0.17667400      -1.14859017       0.41284714 
Hf       5.43351905       0.74856537      -3.73563635      -0.06580368       0.37300360      -0.07557888 
Hf       5.38992044      -0.06264038      -8.93720614      -0.25819559      -0.92799891      -0.57844610 
Hf       0.27497957       5.98658196      -3.75448763      -0.93349114      -0.75241968       0.99418393 
Hf       0.16419264       5.05585726      -8.93433318       0.91194038      -0.33114679       0.53714645 
Hf       5.38141162       5.97325503      -3.64511763       0.30953400       0.10030253      -0.54144092 
Hf       5.48453467       5.05621990      -8.94019534       0.18439138      -0.35145671       0.58996539 
Hf       2.36826015       1.21137869      -1.19034012       0.92925347      -0.59024926       0.61521453 
Hf       2.32635920       0.35335866      -6.27829851       0.88291655       0.04883994      -0.37457612 
Hf       7.55054509       1.21887163      -1.01954811       0.14063540       0.18766162      -0.75103983 
Hf       7.55890958       0.33266780      -6.32413304      -0.14930026       0.07187125      -0.10457981 
Hf       2.37750107       6.34341238      -1.11623098      -0.21673636       0.11687974       0.70486277 
Hf       2.31635688       5.49147432      -6.33775524       0.98704663      -0.36471128      -0.56060044 
Hf       7.68302145       6.34529069      -1.08161885      -1.09002542      -1.03057662       0.54686328 
Hf       7.59319465       5.50169184      -6.25668841      -0.50017293       0.14467661      -0.46635711 
Hf       4.97972406       3.46579865      -1.56043754       0.85924302      -1.10287056      -0.41139179 
Hf       4.95766983       2.55949192      -6.83940935       0.15478952       0.49036781       1.13609873 
Hf      10.19002009       3.40303417      -1.57487312       0.31108884       0.84867439      -0.40654349 
Hf      10.16005676       2.52454727      -6.85350533       0.13001262       0.77155939       1.27926107 
Hf       4.99975759       8.58773068      -1.45972748      -0.03647510       0.13607615      -0.75370503 
Hf       4.94107549       7.75007887      -6.82654907       0.67519065      -0.94783080       0.48530225 
Hf      10.13833835       8.60982537      -1.53118186       0.73731735       0.22391857       0.06404415 
Hf      10.18609256       7.77583495      -6.79988210      -0.49467796      -0.03062263       0.37061571 
O       1.27592978       1.45110288      -7.96643745       0.35586835       0.28619593      -0.69643204 
O       6.43735350       2.44519909      -2.79282064       0.70661597      -0.75900928       0.21459005 
O       6.45513192       1.47284935      -8.04116276       0.46065960       0.05498452       0.36270404 
O       1.38633696       7.50651072      -2.75749625      -0.34677703       0.11961929       0.59325141 
O       1.37050859       6.65762306      -7.87223271      -0.10441991      -0.32830106      -1.06332673 
O       6.68315567       7.56885660      -2.59931282      -1.18127391      -0.74944778      -0.07522216 
O       6.54088905       6.66589075      -7.90595082       0.38955042      -0.18455282      -0.49344248 
O       3.94509121       1.35426581      -5.10423367      -0.44424234       0.90401754      -0.51405043 
O       3.96210646       0.52164999     -10.43804677       0.18609320       0.01059074       0.32979405 
O       9.23725051       1.40691471      -5.17743104      -1.46865252       0.34586970      -0.33742045 
O       9.22659214       0.47461507     -10.40944223      -0.24921921       0.07231071       0.17116421 
O       4.02578214       6.58917512      -5.19371755      -1.14670082      -0.06535463       0.66313691 
O       4.01734616       5.57351794     -10.37981368      -0.80440160       0.66138979      -0.07752684 
O       9.22044452       6.60391251      -5.09473673      -0.84622920       0.27683508      -0.18250989 
O       9.06881333       5.65291650     -10.32681323       0.02455635      -0.26526301      -0.58494522 
O       3.87342197       1.82634738      -2.59411146      -1.21660369       0.68709289       0.61349255 
O       3.77807647       0.94898045      -7.75810952       0.56218571       0.43467439      -0.48367473 
O       9.01033083       2.01527318      -2.64669860       0.13465150      -1.71089280       1.37651246 
O       8.97836820       1.05018402      -7.71002209       0.15305870      -0.45419732      -1.26578837 
O       3.84454121       6.95358243      -2.44018055       0.68396917       0.53904586      -0.62722783 
O       3.88142395       6.06468237      -7.77818359      -0.18171641       0.45422229      -0.27770958 
O       9.08971746       7.04727930      -2.48079523       0.20313493      -0.69987616       0.37265991 
O       9.07704463       6.17527443      -7.70036019      -0.13892706      -0.27736669      -0.59867151 
O       1.36529879       2.77435401      -0.23789149      -0.43754152       0.15672742       0.54734336 
O       1.29448509       1.88195179      -5.26040803      -0.10925739       0.64172973      -0.27108707 
O       6.46863006       2.81290681      -0.09989711       0.15571530      -0.33699274      -0.05420768 
O       6.43266883       1.87395294      -5.42129106       0.30822574       0.35354110       0.32248279 
O       1.15472305       7.96811025      -0.03876837       0.90810932      -0.34792208      -0.52441128 
O       1.30039270       7.09681719      -5.34425698      -0.08324163       0.08994761       0.02662763 
O       6.46777255       8.01740975      -0.01202033       0.39123350      -0.63056694      -0.24223622 
O       6.46829622       6.96167907      -5.27320520       0.25033519       1.15154452       0.16956048 
O       3.49308356       4.59602000      -0.87909848      -1.16740720       0.92881079       0.56290803 
O       3.42089917       3.77460407      -6.17182184       0.37878164      -0.92744100       0.91989963 
O       8.67369223       4.48400455      -0.88314719      -1.06046367       1.54206122       0.74802463 
O       8.64859582       3.79699808      -6.03961171       0.60246023      -0.63946182       0.08526443 
O       3.49677087       9.74532241      -0.82991615      -0.42540920      -0.10101173       0.21221207 
O       3.46879406       8.87425493      -6.07147867      -0.54965849       0.75096288       0.04758211 
O       8.73156877       9.78894092      -0.77609404      -0.78154701       0.48814328      -0.06350388 
O       8.62447361       8.91942512      -6.11199413       0.52830022      -0.80121271       0.41632453 
O       0.81301814       0.11537782      -1.87672398       0.21646572      -0.39272319       0.60579802 
O       0.88284134      -0.84055132      -7.00998389      -0.24283719       0.17995690      -0.94349257 
O       6.10700987       0.08044297      -1.84245281       0.26498396      -0.34904196       0.81824722 
O       6.05517269      -0.83908983      -7.01632908      -0.47156280       0.01908023      -0.81403694 
O       0.84493952       5.21370960      -1.76603963       0.21770230      -0.32274326      -0.44081215 
O       0.84870631       4.25888414      -7.09471301       0.08927605       0.36152767      -0.20732258 
O       6.02212386       5.15016605      -1.75907533       1.17262833       1.45693510       0.22175930 
O       6.15876881       4.31717033      -7.04341062      -0.84822677      -0.71259672      -0.25872636 
O       1.67186631      -0.46652527      -4.47956353      -0.14762545       0.19854870       0.72164347 
O       1.72201507      -1.41573424      -9.74606935      -0.32059976       1.00195596       0.12446223 
O       6.85324865      -0.46830517      -4.51661064       0.69558062      -0.25323287       0.80475043 
O       6.95958220      -1.29483183      -9.63678619      -0.23786918       0.40742350      -0.35503650 
O       1.57248647       4.71025301      -4.55981036       1.15801771      -0.78072580       0.81584422 
O       1.80317668       3.84481415      -9.67869644      -0.56048073       0.35878518       0.05185795 
O       6.80106059       4.68072384      -4.34026571       0.88720250       0.45691160      -0.64955907 
O       7.01330376       3.76971335      -9.62964716      -0.54997170       1.23169953      -0.75351105 
O       4.31514811       4.27433620      -3.47513017      -1.02763871      -0.80761106       0.15962838 
O       4.42383933       3.29617050      -8.69399243      -0.59343177      -0.39072832      -0.68420572 
O       9.50523689       4.26147784      -3.41029683       0.22987637       0.42346298      -0.33309888 
O       9.48734896       3.35193637      -8.68809530       0.04922948      -0.53499398      -0.26409202 
O       4.41989309       9.27365164      -3.35522063      -1.00581354      -0.41938690      -0.76522630 
O       4.34961802       8.42346130      -8.77131548      -0.16558808      -0.13981412       0.65500932 
O       9.52831301       9.25915209      -3.44100894       0.06731187       1.00036374      -0.02265439 
O       9.58039675       8.45733256      -8.74108797      -0.10594094      -0.07695266       0.46606499 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0069468915695714535 -0.0007282546598497963 0.0006473604011785615 -0.0007282546598497963 -0.006919935652577462 0.0029548014548084964 0.0006473604011785615 0.0029548014548084964 0.00032295054320642853" pbc="T T T" energy=-961.26492157 free_energy=-961.26492157 config_type=crystal 
Hf       2.81382789       3.00759598      -4.10239249      -0.60636401      -1.08285003      -1.00559141 
Hf       2.87018808       2.08691634      -9.46005526      -0.76838937       0.95872568      -0.02545016 
Hf       7.99329176       2.98337864      -4.15405169       1.15100584      -0.10524710      -0.40320878 
Hf       8.03905042       2.09840980      -9.41439598      -0.25186369      -0.71381407       0.19222292 
Hf       2.79854336       8.16524859      -4.21726427       0.60461583       0.12429021       0.67434849 
Hf       2.78866561       7.22024731      -9.38646873       0.17510490       0.59361971      -1.51760074 
Hf       7.99889411       8.11167651      -4.18952025      -0.39696538       0.15033795       1.30084880 
Hf       7.98669289       7.29659611      -9.33236342       1.02015591      -0.25655433      -0.87332245 
Hf       0.19504911       0.74524449      -3.75878930       0.43185815       0.03635477       0.91889982 
Hf       0.21401462      -0.10199041      -8.98762302       0.05396675       0.30393518      -0.05518405 
Hf       5.45508296       0.74310663      -3.67961699      -0.65678231       0.26609042      -0.83134633 
Hf       5.36559707      -0.03619207      -8.90014947       0.96078946      -1.29637433      -0.68937366 
Hf       0.29561065       5.87027892      -3.77056854      -0.84385176       1.12441755       0.92890198 
Hf       0.20994983       4.97577704      -8.97248600      -0.40439322      -0.05825021      -0.03588482 
Hf       5.31653358       5.97615233      -3.73393221       1.75055105      -0.43405689       0.86473666 
Hf       5.39283866       5.02824270      -8.93235077       0.83424019       0.65102969      -1.04846333 
Hf       2.40072743       1.23532626      -1.13404890      -0.82623112      -0.94436926      -0.06373180 
Hf       2.41876197       0.36211860      -6.30325662      -0.12677168       0.28574477      -0.54713309 
Hf       7.48329452       1.24811036      -1.11435757       1.56464270      -0.40317238       1.22932574 
Hf       7.59965004       0.32520411      -6.32647331      -0.26786351       0.75225230      -1.04337492 
Hf       2.35407220       6.39341504      -1.15022652       0.30179133       0.05080640       0.84703515 
Hf       2.37877222       5.46709671      -6.41201212       0.08584290      -0.44569936       0.28189095 
Hf       7.59138767       6.35376667      -0.96535690       0.46364890       0.49568839      -1.71499913 
Hf       7.57702506       5.49107139      -6.27274328       1.34427927      -0.29782628      -0.58401522 
Hf       4.96160629       3.49821047      -1.56103608       0.73546108       0.12831372      -0.34436776 
Hf       5.01552569       2.62075374      -6.78235893       0.06549450      -0.60242316       0.30818187 
Hf      10.17076469       3.46830191      -1.59993213       0.47283162      -0.09791163       1.44499194 
Hf      10.22383063       2.54527282      -6.72423736      -0.31860502      -0.74647715      -1.26733981 
Hf       4.94975388       8.55928488      -1.56490838       0.51773506       0.29047323       1.45909076 
Hf       4.99685443       7.75801764      -6.79716182      -0.28313003      -0.55320803      -0.76521205 
Hf      10.12656542       8.62972856      -1.53960228      -0.74890950      -0.07330238       0.50690968 
Hf      10.21041146       7.77928466      -6.74685625      -1.09772828      -0.23709291      -1.41834493 
O       1.43924558       1.44844579      -7.95325103      -0.21805711       0.51329480      -0.66983131 
O       6.54657254       2.31986107      -2.75533376      -0.05389506       0.34523219       0.11496695 
O       6.49250259       1.51608876      -7.93816042       0.37122606      -0.33025304      -0.42750135 
O       1.37579486       7.44942669      -2.84902187      -0.34882587       0.30309439       0.41609372 
O       1.37207160       6.52926777      -8.03962432       0.10611762       0.39932320       0.37904265 
O       6.43852626       7.58964316      -2.75654385       0.45312960      -0.64538029      -0.45836969 
O       6.54305626       6.63371628      -7.99023241       0.28372867      -0.21992568       0.74411206 
O       4.00474231       1.44008571      -5.00616849      -0.73749792       0.03166864      -1.51933499 
O       4.01217937       0.58640565     -10.48889407      -0.57951438      -0.16080708       0.95993012 
O       9.12323073       1.34528093      -5.15676893       0.10300323      -0.04400408       0.16136701 
O       9.19531154       0.49832625     -10.41203787      -0.43688258       0.37598231      -0.29205925 
O       3.96484680       6.61464078      -5.17090062      -0.90210770      -0.46279753      -0.03439553 
O       3.93094992       5.57189399     -10.33639670       0.17435549       1.23521678      -0.71174482 
O       9.19484709       6.58515635      -5.10300100      -0.98484197      -0.02173061      -0.34258291 
O       9.12169598       5.62681704     -10.33852874       0.52031947       0.66917723      -0.17706801 
O       3.75061502       1.96375278      -2.54379360       0.52890551      -0.10623398       0.69148494 
O       3.87915814       1.01145433      -7.79489790       0.11289083       0.01772757       0.42285727 
O       9.13003596       1.98008055      -2.55121720      -1.01106057      -1.17730563      -0.32017144 
O       9.05543011       1.02170059      -7.84417777      -0.14544128      -0.81245782       1.22247099 
O       3.84936179       7.01693232      -2.49693925       0.21147284      -0.39507528      -0.85631063 
O       3.88636194       6.14988100      -7.81214962      -0.22972668      -0.34940987       0.79358206 
O       9.01730802       7.06844010      -2.47493937      -0.07575339      -0.57743434       0.00174502 
O       9.22592831       6.14210254      -7.77420072      -1.66153411       0.12842560       0.91350151 
O       1.36289551       2.77024357      -0.22249837      -0.40733219       1.06170358       0.44201324 
O       1.25531502       1.91449147      -5.29393524       0.29475947      -0.13164705       0.11320216 
O       6.43955261       2.72788577      -0.08448960       0.00927366       0.75594968      -0.12224765 
O       6.49721386       1.95890907      -5.38718348      -0.06353056       0.17609300       0.24950154 
O       1.26007503       7.92802602      -0.20497047      -0.25488626       0.26592018       0.33494902 
O       1.20856264       7.08188792      -5.44789198       1.77292215      -0.61514321       0.53884124 
O       6.52762522       7.93527987      -0.09230959      -1.15164131       0.51745208       0.02702476 
O       6.39863719       7.14546284      -5.37944676       0.99058491      -1.49980670       0.57761072 
O       3.56459788       4.74253174      -0.94845956      -0.48873639      -0.51806747       1.03460115 
O       3.39446314       3.67908433      -6.19346933      -0.04563589       0.39718321       0.42584221 
O       8.66708826       4.60403260      -0.76657967       0.32556884       0.10100692      -0.22558799 
O       8.75765340       3.64781271      -6.05142602      -1.56210431       1.76651300       0.55832319 
O       3.43674302       9.78390182      -0.88936815       0.16052010      -0.69876989       0.84152163 
O       3.52363944       8.91418151      -6.06204820      -0.67607247       0.59099038       0.15202891 
O       8.61533483       9.87528262      -0.82260050       0.40957116      -1.01267863       0.28965146 
O       8.56778115       8.82614670      -6.10146089       0.73292731      -0.03220098       0.18692618 
O       0.86454029       0.01147357      -1.85767928       0.26166476       0.57850885      -0.28913937 
O       0.85073709      -0.75780123      -7.01326102       0.09727695      -0.42002817       0.15300948 
O       5.98001116       0.08854306      -1.80453834       0.41764682      -0.30201322       0.78544548 
O       6.07157034      -0.87482781      -7.01516289      -0.15567897       0.83748084      -0.59749489 
O       0.96462958       5.12400142      -1.81589746      -0.31778709       0.23585572      -0.14527530 
O       0.83428656       4.29103885      -6.96291271       0.20707888       0.21180892      -0.59155469 
O       6.21791972       5.14351772      -1.89086922      -1.15782689      -0.22449403      -0.01824273 
O       6.06501759       4.36958315      -6.98072485      -0.44337040      -0.47568304      -0.16588824 
O       1.71602465      -0.44708320      -4.49976959      -0.22491718       0.13783828       0.40584740 
O       1.64870292      -1.30489028      -9.68416126       1.00484615      -0.80157320      -0.24237240 
O       6.87678994      -0.36609483      -4.51835080       0.58780040      -0.82964470       0.78878923 
O       6.96040075      -1.30260296      -9.50429485      -0.88071257       0.97696163      -1.01319994 
O       1.76158745       4.71949386      -4.37792542       0.52743862       0.39727253      -1.18015961 
O       1.86088386       3.94276465      -9.62645677      -0.30015376      -1.29285687      -0.21397252 
O       7.04177224       4.69117476      -4.42173964      -1.40936118       1.81404269      -0.37291387 
O       7.04952766       3.90792973      -9.60915275      -0.99955519      -0.50877297       0.52407342 
O       4.29099681       4.18574488      -3.52298113       1.49949510       1.23950252       0.42391263 
O       4.40794467       3.29393249      -8.81307158       0.11794812      -0.66959613       0.87990937 
O       9.57997626       4.27072071      -3.38965426      -1.13019682      -0.89010279      -0.73104882 
O       9.46058969       3.23470118      -8.64386011       1.86412711       1.61693600       0.03934176 
O       4.36551330       9.31286424      -3.37083164      -1.12889761      -0.05442398      -1.35875895 
O       4.22070013       8.48207048      -8.69176431       0.66308657       0.55779758       0.15454585 
O       9.41791540       9.30942418      -3.38608920       0.50283922       0.95670975      -0.83807398 
O       9.52943475       8.51693238      -8.68276825      -0.04814751      -0.68435043       0.43706979 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004167539572925468 0.00249001254805977 0.002625563708387874 0.00249001254805977 -0.0025994018673924217 0.00034029204578441946 0.002625563708387874 0.00034029204578441946 -0.006195616838450375" pbc="T T T" energy=-961.89166018 free_energy=-961.89166018 config_type=crystal 
Hf       2.83175978       2.95378646      -4.16269976      -0.51923726       0.91454399       0.34316845 
Hf       2.74458157       2.19868857      -9.40757848       1.78715954      -0.22333302      -0.38107608 
Hf       8.00967487       2.97444419      -4.14354166      -0.01669286       0.93691988      -0.07268336 
Hf       8.00610217       2.20550669      -9.34615310      -0.47245029      -0.28133190       0.51094388 
Hf       2.85532673       8.04052343      -4.17956076       0.20276701       1.33561433       0.31559573 
Hf       2.82425549       7.32714306      -9.51827144      -0.81619874      -0.93195577       1.54258725 
Hf       8.02800293       8.12169105      -4.09929041      -0.29905324       0.65126777      -1.63218790 
Hf       8.05130276       7.24962635      -9.42984444       0.60854139       0.10607071       0.74991884 
Hf       0.22818688       0.81477117      -3.66601548       0.37963779       0.88820261      -0.90526097 
Hf       0.23606584      -0.05832114      -8.96633907      -0.31688632      -1.26942996       0.33789593 
Hf       5.45177999       0.73477894      -3.76506414       0.15498805       0.86375629       0.78758043 
Hf       5.36464812      -0.11964475      -9.04912032       0.61846699       0.98577033       1.78312173 
Hf       0.19437852       5.93572501      -3.72655303       0.44896854      -1.80357407      -0.51072366 
Hf       0.23287695       5.12583126      -8.95641843      -0.20414022      -0.96608675       0.23052614 
Hf       5.46231212       5.89731907      -3.66976660      -1.06860376      -0.64451819      -1.27471164 
Hf       5.46648559       5.09759985      -9.03551639       0.06319355      -1.33521099       1.78444654 
Hf       2.33338149       1.24400990      -1.08744100       0.33519929       0.85795877      -0.53417224 
Hf       2.38696309       0.27392107      -6.24827618      -0.41096711       0.42822000      -0.81728416 
Hf       7.61786485       1.23098483      -0.96151967      -0.21934957      -0.20242422      -0.98817698 
Hf       7.58517054       0.35264359      -6.32374483      -0.82581295      -0.49869795      -0.68504208 
Hf       2.34914564       6.40108928      -1.08173824       0.50579644      -1.33110888      -0.56476049 
Hf       2.42542973       5.43376700      -6.35508845      -1.14628875      -0.34877817       0.19224748 
Hf       7.59508080       6.42138108      -1.16370675      -0.65059670      -0.67820215       1.79670049 
Hf       7.57461711       5.41527981      -6.34756205      -0.61813609       0.11089971       0.03607771 
Hf       4.98521315       3.47540746      -1.50350033      -1.17898789      -0.32067650      -0.84610388 
Hf       4.91603352       2.50610546      -6.81199358       1.00713237       1.04192646      -0.55883542 
Hf      10.10609643       3.47987571      -1.47716675       0.18140786       0.52337029      -0.43823599 
Hf      10.17049849       2.52367096      -6.82045558      -0.00454943       1.00851797       1.00954285 
Hf       4.98524660       8.61116495      -1.52503787       0.59959558       0.42176376      -0.66308083 
Hf       4.99130145       7.67185152      -6.84035975       0.67693147       0.61855930       1.20802799 
Hf      10.20791166       8.61376822      -1.57643750      -0.22716798       0.53230710       0.58066750 
Hf      10.12892921       7.71072644      -6.79667722       0.61004410       0.14547996      -0.12409554 
O       1.36260521       1.43602821      -8.01060533      -0.87802060       0.38750159       0.19062553 
O       6.47666809       2.44438726      -2.78958741       0.07779301      -0.43450345       0.52144556 
O       6.46645901       1.57859571      -8.01152056      -0.10663928      -0.86936867      -0.02129004 
O       1.36165097       7.47534606      -2.79360346      -0.13775438       0.24054134       0.71113858 
O       1.30021440       6.63417411      -8.04248783       0.59794542       0.01638368       0.32552719 
O       6.58352677       7.46503138      -2.75916889      -0.18941459       0.64000321       0.34993581 
O       6.53198104       6.66719980      -7.97758844       0.05488725      -0.41046495      -0.54488717 
O       3.92821207       1.42054818      -5.15336790       0.15484390      -0.32666647       0.25931345 
O       3.91945430       0.65628508     -10.43372284      -0.35164584      -1.00764303       0.94911891 
O       9.13109775       1.43110070      -5.07724485      -0.39951483       0.05104573      -0.43608347 
O       9.04452124       0.49948026     -10.23474662       0.45181794       0.89856202      -0.88946700 
O       3.89127551       6.53189424      -5.11557913       0.56092157      -0.06366797       0.06879206 
O       4.01353489       5.63798999     -10.36414008      -0.85332359       0.81860430      -0.69854119 
O       9.00061912       6.52759057      -5.09104850       1.42983370       0.53692909      -0.00749708 
O       9.19725670       5.69461496     -10.42001979      -0.26214259      -0.26227490      -0.33744085 
O       3.70340869       1.93685751      -2.44844241       0.85557839      -0.20204752      -0.91465597 
O       3.81932677       1.02527605      -7.82079182       0.12349845      -0.43944808       0.34480556 
O       9.04432715       1.94439028      -2.41605419      -0.24708364      -0.49856893      -0.15652065 
O       8.92598958       1.05235630      -7.75756044       1.47157321      -0.02380027       0.24568598 
O       3.95509530       7.02670634      -2.45106556      -1.12929861       0.15680753      -0.42132218 
O       3.83322410       6.22553236      -7.73131087       0.11461091      -0.26109387      -0.88312620 
O       9.02568852       6.94145401      -2.50700616       1.20923147       1.06150676      -0.51410132 
O       9.08785126       6.10349226      -7.79719879      -0.51498948       0.52079361       0.30237024 
O       1.21222907       2.75132483      -0.16983079      -0.32369896       0.77407120       0.37893989 
O       1.24020774       1.88680636      -5.34235050       0.11211517       0.15136480      -0.04475455 
O       6.34766063       2.70887300      -0.03507510       1.24703093       0.68164984      -1.23620003 
O       6.41520545       1.88272265      -5.37251196       0.33856759       0.25029989      -0.11898268 
O       1.27454175       8.01572285      -0.13065878       0.36846839      -0.28909382      -0.51510179 
O       1.25115288       6.98902105      -5.34096222      -0.34639040       0.63002949      -0.39157916 
O       6.53768926       8.03095795      -0.18267353      -0.25774169      -0.29732475       0.30919580 
O       6.45699584       6.96193489      -5.29764247      -0.71861088       1.18536445      -0.89728156 
O       3.37729837       4.58820893      -0.86013694      -0.26966648       1.35173600       0.23882220 
O       3.49467224       3.75281800      -6.08090242      -0.20529934      -0.13640539       0.35465154 
O       8.56753646       4.67686929      -0.72430547       0.90521389      -0.80246953      -0.99003092 
O       8.74278343       3.80490756      -6.02645049      -0.01533573      -0.89908125       0.24202837 
O       3.43395769       9.74223279      -0.89199666       0.12868289       0.17658519       0.02976717 
O       3.50938749       8.88579910      -6.01092716       0.01688700      -0.14351363      -0.17456131 
O       8.77395515       9.77408916      -0.75305449      -0.45030496       0.71795653      -0.22688643 
O       8.71031314       8.90159236      -6.05603599      -0.32622619       0.09708151       0.67916930 
O       0.82159242       0.17077208      -1.80139247      -0.24354178      -1.44865051       0.26641885 
O       0.88821852      -0.86446246      -7.05661027       0.11154850       0.08248891       0.09664294 
O       6.17945973       0.06574185      -1.82725258      -0.66204801      -0.39705081      -0.10087708 
O       6.12039070      -0.91233535      -7.07292062      -0.39125827       0.62491960      -0.61295639 
O       0.82920009       5.17680165      -1.81090506       0.26655723       0.51966995      -0.10486630 
O       0.88439999       4.20918371      -7.07149790       0.84297166       0.93696898      -0.44679499 
O       5.96474345       5.25328050      -1.77464654       1.03701068      -0.11672940       0.55489189 
O       6.05908598       4.26593995      -7.07983389       0.20255447       0.34775336      -0.21806530 
O       1.73750898      -0.34656700      -4.37257233       0.55957408      -1.35488798       0.00566675 
O       1.65361171      -1.32831388      -9.72677967       0.14633956       0.09850424       0.20527920 
O       6.92268450      -0.38831279      -4.51528578       0.25411303      -0.94006228       0.95918271 
O       7.00306870      -1.33904659      -9.62907719      -1.05433498       0.47067089      -0.26211117 
O       1.69699597       4.67234213      -4.48612419      -0.29018126       0.22397873       0.50917492 
O       1.63151882       3.83775961      -9.77515660      -0.12276623       0.38475386       0.26334976 
O       6.92328630       4.73887281      -4.47957077       0.12580562      -1.05990919       0.77812731 
O       6.97127907       3.90005224      -9.68204518      -0.96757734       0.94944867      -0.19154978 
O       4.27139271       4.20243989      -3.42629563       0.55547444       0.21034037       0.03763379 
O       4.24156529       3.46375865      -8.66824111      -0.43860005      -0.85652135      -0.39415470 
O       9.49600802       4.19708299      -3.39073246      -0.17850310       0.02643541       0.02236403 
O       9.46501751       3.42376856      -8.60353472      -0.12866683      -0.84612394      -0.51558465 
O       4.42278295       9.32437761      -3.45170442      -0.84318873      -0.70272588       0.01194049 
O       4.23474365       8.54319118      -8.79407686       0.51487120      -0.59495705       0.60873510 
O       9.47557312       9.42572391      -3.37878867      -0.45481054      -1.36964002       0.11705305 
O       9.50509267       8.53711373      -8.64185965      -0.26596366      -0.85281277       0.03326583 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003925213474192271 0.0004131510417805743 0.00043574016805426104 0.0004131510417805743 -0.008669953942446145 0.00015624694977449017 0.00043574016805426104 0.00015624694977449017 -0.006198018346467687" pbc="T T T" energy=-961.91919035 free_energy=-961.91919035 config_type=crystal 
Hf       2.85045213       3.03771594      -4.17308453      -0.03575397      -0.83936170      -0.20491539 
Hf       2.89286115       2.16019662      -9.45836498      -0.42036452      -0.31795819       0.60014488 
Hf       8.02712734       3.04602212      -4.15231689       0.53874698      -1.35582578       0.41266581 
Hf       8.02073949       2.08465974      -9.34948441      -1.02610465      -0.09651635      -1.82345350 
Hf       2.86297887       8.14504224      -4.18143375      -0.90725487       0.24320307      -0.28859141 
Hf       2.84564048       7.30956838      -9.43071158      -1.10757469      -0.36629498      -0.21869556 
Hf       8.05149986       8.12252422      -4.14648277      -1.65713530       0.89634179      -0.42157381 
Hf       7.86901500       7.33251057      -9.40630696       1.78045452      -0.65243136       0.10482115 
Hf       0.30443201       0.73954856      -3.72384419      -0.80088072       0.54657015       0.04404337 
Hf       0.22831873      -0.10587067      -8.96163911       0.16587722      -0.19430995      -0.34658230 
Hf       5.40853579       0.81495336      -3.64025954      -0.01769314      -0.31334038      -0.89682471 
Hf       5.42409557      -0.08183061      -8.90095875      -0.44092109       0.99687005      -1.09682707 
Hf       0.16605468       5.91424576      -3.70030923       1.58475004      -0.36126110      -0.38835941 
Hf       0.20870986       4.99489614      -8.93275473       0.39460424       0.17117885      -0.95342007 
Hf       5.48485947       5.96556958      -3.76481863      -0.77366787      -0.53135306       0.56215800 
Hf       5.40273323       5.04808314      -8.96051817      -0.17067199      -0.53058680      -0.26840151 
Hf       2.32789634       1.19973328      -1.13843972       0.35296899       0.93323737      -0.35014609 
Hf       2.38934756       0.40016113      -6.36963207       1.19555600      -0.77349343       0.81206017 
Hf       7.51994577       1.20351296      -1.13052165       0.76250215       1.32726198       0.17762819 
Hf       7.59191134       0.28169815      -6.28583678      -0.02085778       0.21140549      -0.20118538 
Hf       2.36899121       6.41908444      -1.18848015      -0.94681203      -0.46009478       1.64930491 
Hf       2.41040464       5.44125015      -6.32191983      -0.23836332      -0.69313751      -0.74821024 
Hf       7.52077876       6.33755407      -1.07559498      -0.59954815      -0.21401743       0.81395091 
Hf       7.59328265       5.49971030      -6.31002414      -0.03550779       0.11241969      -0.80530243 
Hf       4.92852224       3.52010534      -1.52014743       0.90067400      -1.63476710      -0.28683715 
Hf       5.10918246       2.54144934      -6.72895002      -1.47431903       0.45520550      -0.18483453 
Hf      10.17834026       3.45983625      -1.53657066      -0.02378212      -0.46454414       0.47131705 
Hf      10.12656614       2.55432039      -6.80421097       0.93031553       0.16863168       1.45134973 
Hf       4.86407852       8.58793343      -1.55054904       1.21074388      -0.03604299      -0.14579682 
Hf       4.96914695       7.72334636      -6.79255521      -0.19235519      -0.40571893       0.20155242 
Hf      10.05546608       8.60256362      -1.52598491       1.13252131      -0.36454847       0.88270724 
Hf      10.23667231       7.71276940      -6.82614238      -0.24387294       0.08189222       0.24143238 
O       1.48315414       1.29025421      -8.00146520      -0.92940087       1.27853231      -1.03722293 
O       6.57656247       2.34865617      -2.73803100      -0.19536492       0.10541141       0.01908051 
O       6.53032836       1.42698906      -7.94127689       0.71222453       0.47967017       0.09536661 
O       1.26469237       7.47819872      -2.73419976       0.03057200       0.28132384      -0.51487138 
O       1.33126112       6.58022121      -8.06347756      -0.04651076       0.13572192       0.75858625 
O       6.49581865       7.51597075      -2.75270421      -0.24133763      -0.07423703      -0.21509849 
O       6.45005502       6.70954366      -8.02260508       0.36406818      -0.69009184      -0.10138455 
O       3.95436912       1.39605352      -5.08736269       0.68719217       0.49692661      -0.00597320 
O       3.98215932       0.46813469     -10.40485799      -0.36448982       0.57185219       0.59420803 
O       9.17608128       1.50945030      -5.04252372       0.00028204      -0.38460169      -1.11901037 
O       9.19611668       0.58250090     -10.40622926      -0.44471869      -0.28913763       0.69554216 
O       4.03722871       6.48855727      -5.19729290      -0.39431283       0.49792770       0.22541613 
O       3.85615808       5.69405027     -10.41492595       0.46367317       0.15778287       0.09172225 
O       9.19885442       6.71474702      -5.17533061       0.18013667      -1.08411811       1.06584089 
O       8.99749372       5.73202252     -10.27879626       0.50605317      -0.39180361      -0.27550336 
O       3.84552891       1.84371080      -2.50750263      -0.24083008       0.97204888      -0.05822269 
O       3.95892683       1.07286503      -7.65203324      -0.08242231      -0.83346880      -0.81276029 
O       9.12022441       1.79050735      -2.48751435      -0.24284776       0.65240492       0.34780555 
O       9.05625375       0.99836648      -7.75166205       0.01673400      -0.55996634       0.37010792 
O       3.79776919       6.95962599      -2.57791241       0.70773182       0.72646950      -0.13245133 
O       3.83168551       6.11692944      -7.79403212       0.25669816       0.42026973      -0.10523792 
O       8.91097488       6.97557879      -2.41857559       1.76315852      -0.04106537      -1.32098605 
O       9.04668709       6.04854024      -7.65243657       0.34643113       0.50242274      -0.78289290 
O       1.33280688       2.79996709      -0.19159787      -0.47966881       0.51033829      -0.11277308 
O       1.32372400       1.86610698      -5.40900811      -0.88664020       0.51795126       0.41572580 
O       6.43589897       2.92361986      -0.07414589       0.33235777      -0.74004430      -0.26576908 
O       6.55809164       1.85687397      -5.37228084      -0.75738430       1.26608092       0.42247379 
O       1.19842390       7.85080575      -0.10150443      -0.35664100       0.64189068      -0.54597170 
O       1.38883904       6.98276033      -5.35386691      -0.89118679       0.33509095       0.00450500 
O       6.36099990       7.92136473      -0.15892089       0.07025152       0.46902919       0.58145915 
O       6.50980794       7.06580683      -5.41450306      -0.13276731       0.15045478       0.45929092 
O       3.49481427       4.63663697      -0.83519185      -0.51124960       0.86313155       0.29270015 
O       3.42195815       3.69476584      -6.10645665       1.17265807      -0.22466431       0.34953761 
O       8.65531222       4.64251393      -0.82337513       0.35154920       0.04653039       0.22316350 
O       8.73537183       3.84879960      -5.99348673       0.35766775      -0.72856993      -0.31269092 
O       3.38809129       9.77545365      -0.91757230       0.27653630      -0.68931393       1.18906851 
O       3.45828366       8.85933819      -6.01632404       0.55649307       0.09366425      -0.46747816 
O       8.62546266       9.78138946      -0.78860790      -0.51277321       0.61960670       0.00475631 
O       8.70347913       8.94635192      -6.07835477       0.62405756      -0.70104140       0.39487853 
O       0.92505752      -0.05386131      -1.85383554      -0.80081102      -0.08899118      -0.34188330 
O       0.95530585      -0.88738968      -7.01617283      -0.68718786      -0.47066591      -0.67993046 
O       5.99489807       0.05310326      -1.73139095      -0.03094327      -0.29326289      -0.32874544 
O       6.11956924      -0.91685446      -7.06563248       0.08647066       0.38042884       0.04068316 
O       0.99406467       5.13704676      -1.89157244      -0.94177988      -0.60633025      -0.15608484 
O       0.98353421       4.12668167      -7.13490442      -0.35878850       0.96707686      -0.29007016 
O       6.09388173       5.10785765      -1.85831226       0.27265161       1.02078692      -0.33337302 
O       6.15680588       4.29125443      -7.08197391      -0.13564581       0.20745464      -0.10902952 
O       1.74530897      -0.40694373      -4.46313977       0.17757635      -0.90758817       0.29423755 
O       1.60130582      -1.30194677      -9.80829529       0.82002053      -1.16943752       0.85077725 
O       6.91843476      -0.37032797      -4.43076489       0.11299800      -0.91375329       0.42779104 
O       6.89605219      -1.20899253      -9.74004359       0.20132736      -0.46883303       0.42208629 
O       1.62778518       4.60640364      -4.50768504      -0.43834075       0.95192162       0.26416874 
O       1.76432996       3.83160140      -9.74312352      -0.40408189      -0.34529600       0.24135179 
O       6.91795535       4.73465588      -4.44652323       0.19841100       0.06729798      -0.01921940 
O       6.84079952       3.80056298      -9.72650466       0.45648144      -0.01782966       0.59767587 
O       4.28267907       4.27689746      -3.45569286       0.17792523      -0.46469649       0.16076894 
O       4.36895914       3.30829914      -8.66035254       0.00174163       0.20416633      -0.18842685 
O       9.56619665       4.13759720      -3.42715531      -0.22802563       0.73152239       0.13160618 
O       9.54009820       3.19764287      -8.68863807       0.34565595       1.23648519      -0.03718612 
O       4.31325282       9.38633890      -3.41398401      -0.23916230      -0.79581657      -0.12361554 
O       4.32855149       8.52299589      -8.67537132      -1.00709520      -0.95212369      -0.14564467 
O       9.39789039       9.28902873      -3.37283725       1.34465245       0.98866918       0.12700092 
O       9.53155520       8.43548413      -8.66227195      -0.70370762      -0.21794950      -0.07115075 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0005983352132059771 -0.00180090316045136 0.0011660503253799572 -0.00180090316045136 -0.005244666400015416 0.003351582772015943 0.0011660503253799572 0.003351582772015943 -0.0023831600276962425" pbc="T T T" energy=-962.13346484 free_energy=-962.13346484 config_type=crystal 
Hf       2.69563507       2.94854676      -4.14345713       1.51160116       0.87911362      -0.54719919 
Hf       2.80156236       2.10811975      -9.38606173      -0.16922051       0.44822041      -0.87379861 
Hf       7.92965079       3.05848001      -4.17975933       0.10663468      -0.42802894       0.29600155 
Hf       8.00472275       2.14584108      -9.41629596       0.51549138      -0.14776041      -0.36475161 
Hf       2.82694066       8.18895559      -4.07506692      -1.49455887      -0.64304765      -1.15670486 
Hf       2.84525999       7.21292553      -9.41730737      -0.30150230      -0.52992658       0.05945757 
Hf       8.02222167       8.12821083      -4.17052133      -0.63152746       0.79910704       0.13049451 
Hf       8.04896141       7.29505114      -9.39218514       0.41207828      -0.78452645       0.10893537 
Hf       0.21114264       0.82780489      -3.67837635      -0.27548141       0.49248266      -1.06607264 
Hf       0.26956322      -0.11635504      -8.98143796      -0.57189245      -0.25262350      -0.47906917 
Hf       5.42463867       0.72368363      -3.75888727      -0.16626320       0.53859583      -0.44005106 
Hf       5.43741229      -0.19823567      -9.00281736      -0.99991720       0.63611419       0.19600713 
Hf       0.25574319       5.89537955      -3.71119183      -0.07846803       0.84584346       0.09787823 
Hf       0.20864325       5.08772987      -8.94046804       0.72689446      -0.10952150      -0.30263505 
Hf       5.33374261       5.89633040      -3.64078152      -0.06397664      -0.10470554      -0.89927635 
Hf       5.43889281       5.04297825      -8.96265630       0.09800325      -0.02797508       0.46123640 
Hf       2.47219967       1.20407584      -1.08673484      -0.75793799       0.18674949       0.02576848 
Hf       2.35660785       0.28038617      -6.36489663      -0.02070742       0.58134179       0.70087917 
Hf       7.62312659       1.19907421      -1.08694296      -0.55857980       0.51309789      -0.06344326 
Hf       7.56072404       0.37781519      -6.44893039      -0.06285335       0.21181473       1.44922601 
Hf       2.45199928       6.32849404      -1.07854438      -1.44056752       0.62540841       0.37519049 
Hf       2.35563532       5.56138324      -6.31746464       1.05868851      -0.39692393      -0.27284067 
Hf       7.60501018       6.40118773      -1.11456737      -0.61674720      -0.37615598       0.73786731 
Hf       7.60323012       5.49684708      -6.29139316      -1.04466809      -0.09370041      -0.77352771 
Hf       4.98607357       3.44145956      -1.51043008      -0.37765872       0.14785720      -0.54085248 
Hf       4.89840753       2.59552660      -6.84277699       0.73805308      -0.15469725       0.70538981 
Hf      10.19227239       3.46785309      -1.62931718      -0.49333784      -0.43921710       1.41626085 
Hf      10.14195646       2.61158756      -6.82490478       0.39826074       0.00696521       1.11972056 
Hf       4.99244126       8.59416081      -1.52515873       0.56362307      -0.61310291      -0.00606093 
Hf       5.04140521       7.69395328      -6.73900349      -1.29581895       0.15510335      -0.52087230 
Hf      10.17851097       8.62717145      -1.59571216       0.66530849       0.17297910       1.09570077 
Hf      10.13470299       7.72916525      -6.71740725       0.33814808       0.34491450      -0.47662613 
O       1.27492691       1.52602341      -8.03959839       0.25209353      -0.57588869       0.08198529 
O       6.46716877       2.29418016      -2.71310136       0.51376488       0.88135241      -1.10801287 
O       6.49748962       1.48280660      -8.04796021       0.52584659      -0.32357693      -0.38400194 
O       1.36895846       7.46470804      -2.61984849      -0.24998557       0.29502926      -1.16981828 
O       1.45545122       6.61666391      -7.95557470      -0.81366828       0.21204685      -0.03569789 
O       6.48537433       7.39108659      -2.73834266       0.87381059       1.45036142       0.07927829 
O       6.64583228       6.58327038      -7.96971300      -0.36173582       0.32168881       0.18616672 
O       3.85697341       1.39202194      -5.08290383       0.26813827      -0.09857894      -0.27708500 
O       3.85919963       0.53421120     -10.39639095       1.12724590      -0.00272306       0.22771195 
O       9.03765595       1.49435349      -5.10714391       0.52011413      -0.14829812      -0.09640574 
O       9.14933375       0.56882228     -10.40613602      -0.25194232       0.10699537       0.71668260 
O       3.88393373       6.60816837      -5.07270472       0.11941556       0.21135059      -0.24976888 
O       3.94385165       5.61492578     -10.38531850      -0.00080148      -0.03157040       0.08209959 
O       9.13071195       6.59775787      -5.11905241      -0.46957726      -0.17428506       0.22345829 
O       9.13752040       5.70348990     -10.40399022      -0.26833037       0.11978692       0.21720501 
O       3.75952657       1.95062417      -2.55853358      -0.11078447      -0.41686928       0.42642825 
O       3.78120291       0.98131011      -7.79418207       0.08438679       0.00307620       0.16433198 
O       9.02051685       1.90789125      -2.43790769       0.37653517       0.25574371      -1.15051400 
O       9.06851866       0.99582679      -7.72522284      -0.21248285       0.16059185      -0.77991598 
O       3.86873449       6.97106766      -2.49473906      -0.17700935       0.73819787       0.29040960 
O       3.95071766       6.15424897      -7.73028076      -0.11513689      -0.50198634       0.05132708 
O       9.01088619       7.10570746      -2.50132577       0.64309844      -0.10823887      -0.34377978 
O       9.16737307       6.13240396      -7.66879595      -0.56095856      -0.11989708      -0.61981874 
O       1.22686380       2.78508323      -0.21368575       0.74894045      -0.34197456       0.30359923 
O       1.25648237       2.00052548      -5.40168038      -0.38402096      -0.43624062       0.39804570 
O       6.45986086       2.65904418      -0.08351304      -0.20139446       1.29418473      -0.44441406 
O       6.42080831       1.93432878      -5.49544588      -0.04515266      -0.34603397       1.08726931 
O       1.26068327       7.92888445      -0.13756375      -0.07572855       0.36841176       0.58172807 
O       1.16268783       7.18852202      -5.28148396       0.79638754      -0.54394080      -0.22169721 
O       6.41179109       8.01716035      -0.06980831       0.61850270      -0.16605891      -0.51497837 
O       6.44104642       7.07467014      -5.37482335       0.35203143       0.18912764       0.32245643 
O       3.45801330       4.65612287      -0.86036774       0.37074708      -0.97033114       0.95201777 
O       3.52002383       3.75174775      -6.00910320      -1.06479925       0.76065749      -0.16626894 
O       8.69892486       4.70494445      -0.85339493      -0.28093655      -0.22229133       0.43245775 
O       8.59116638       3.76550093      -6.05263516       0.46546136      -0.03698811      -0.15277753 
O       3.53363231       9.69785398      -0.84587011      -0.99882331       1.02054254       0.49985779 
O       3.43460750       8.87265232      -6.10527113       0.21734512      -0.05924683       0.61209782 
O       8.79647705       9.87597970      -0.72841844      -0.16513356      -0.36793992      -0.14673501 
O       8.63602388       8.91699579      -6.08422943       0.03726437      -0.26125933       0.41036423 
O       1.03762806       0.08182389      -1.92908956      -0.99586657      -0.80747627       0.59488459 
O       0.78480132      -0.81414238      -7.00999450       0.55063925       0.37224289      -0.62122127 
O       5.95255429       0.15024951      -1.82169556       0.56737267      -1.36979756       0.34810227 
O       6.02913772      -0.79736188      -7.10819041      -0.00075658      -0.69985194       0.05358594 
O       0.95544571       5.06844854      -1.93357289       0.52122269       0.64423038       0.24522479 
O       0.88468510       4.35117807      -7.01178832      -0.44106312      -0.43675619      -0.44661169 
O       6.05560139       5.17895264      -1.77611410       0.21884896      -0.55007839       0.50213897 
O       6.00485218       4.30613721      -7.04110647       0.58175826       0.35979120      -0.25048550 
O       1.64537470      -0.36096878      -4.42189799       0.74989049      -0.61761914      -0.52182772 
O       1.79595802      -1.34924727      -9.67313166      -0.93217801       0.82487748      -0.06308071 
O       6.90664053      -0.47912202      -4.50495741      -0.90436413       0.84348720       0.27647184 
O       6.94336659      -1.34400939      -9.69641439      -0.28138888      -0.19429060       0.21434843 
O       1.69183750       4.81750756      -4.54297992       0.18153573      -1.07567622       0.93785797 
O       1.65686065       3.83125932      -9.66600375       0.76680819      -0.34954885      -0.27741484 
O       6.82872797       4.78617231      -4.44658444       0.79479652      -0.81224373      -0.05391773 
O       6.96591602       3.88466103      -9.66573189       0.23513439      -0.15044862      -0.34314901 
O       4.26020185       4.24687663      -3.35553376      -0.53273447      -0.87193505      -0.20682141 
O       4.42321518       3.24434926      -8.79075080      -0.79093968       0.11108724       0.10018633 
O       9.43182270       4.30014061      -3.43958097      -0.39436674      -0.79500585      -0.37176908 
O       9.54999662       3.34011209      -8.65516609      -0.82583411      -0.16578980      -0.45839873 
O       4.27013330       9.30510311      -3.42661999       1.18677806       0.97603019       0.15675281 
O       4.23437022       8.41414000      -8.67609702       1.63602334       1.00693431       0.05355977 
O       9.37936065       9.50453701      -3.31057299      -0.13807381      -1.00504500      -0.49342925 
O       9.50244377       8.47729429      -8.64915934       0.30729789       0.10320504       0.00167131 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0014536490170709649 -0.00023537914303836034 0.003507806840417978 -0.00023537914303836034 0.003913171031586682 0.0015101982818797103 0.003507806840417978 0.0015101982818797103 0.0016878693365589773" pbc="T T T" energy=-961.96445849 free_energy=-961.96445849 config_type=crystal 
Hf       2.86799863       3.00737927      -4.22049456      -0.74973537       0.38477008       0.85614399 
Hf       2.81376233       2.06743463      -9.43484272       0.10084170       0.63563049      -0.81189903 
Hf       8.03785917       2.98004808      -4.15202455       0.83915267       1.11734484      -0.27193697 
Hf       7.99722033       2.09326647      -9.41810794      -0.00626349       0.53247291      -0.03760205 
Hf       2.79887283       8.14965534      -4.18991949       1.16598741       0.67116386       0.69211389 
Hf       2.70852787       7.29035320      -9.36967105       0.91622352      -0.23782665      -1.16290339 
Hf       8.02910992       8.19422685      -4.18458487       0.87286790      -1.03236311       0.54896940 
Hf       7.97736396       7.23879502      -9.41124234      -0.19850183       0.24184173       0.10004233 
Hf       0.26872430       0.78706464      -3.66678601      -0.12800633       1.00389084       0.14492718 
Hf       0.16463745      -0.06661807      -8.90895652       0.71878498      -0.61355092      -0.61674477 
Hf       5.50544961       0.82942980      -3.70220847      -1.44322396      -0.83664474      -0.50989049 
Hf       5.39293539      -0.09792404      -8.89885464       0.45544504      -0.35733917      -0.91195618 
Hf       0.29806546       5.94346303      -3.70634728      -0.63113861      -0.45379754      -0.13705942 
Hf       0.20289721       4.95257720      -9.00370183      -0.12307261       0.43320663      -0.16033320 
Hf       5.42369669       5.99366025      -3.70157424      -0.20380050      -0.71164403       0.13882959 
Hf       5.42156398       5.00509401      -8.98557141      -0.62073070       0.49250431       0.26836155 
Hf       2.40432424       1.22981269      -1.11707817      -0.52129110      -0.50313600      -0.56852291 
Hf       2.37595084       0.35430624      -6.26838249      -0.04154685       0.42023844      -0.84990848 
Hf       7.59523863       1.21453061      -1.06227908       0.21176623       0.20022540      -0.00555798 
Hf       7.62015102       0.33341515      -6.32435702      -0.60450259       0.43225688      -0.18455791 
Hf       2.40702873       6.45435155      -1.12371716       0.13328890      -1.66430455       0.31856203 
Hf       2.34770201       5.47125889      -6.38400202      -0.11158377      -0.16892292       1.06367191 
Hf       7.53947672       6.39438869      -1.06520895       0.64139655      -1.25021482      -0.43205633 
Hf       7.52667598       5.45691090      -6.27737814       0.95854602       0.60251701      -0.50250013 
Hf       4.97814931       3.40784994      -1.55209052      -0.55449877       1.29232476      -0.06589951 
Hf       4.98509096       2.57421734      -6.83741014      -0.25323836       0.13313089       0.70097027 
Hf      10.21019046       3.42999503      -1.56103912      -0.10198989       1.01665916      -0.04464237 
Hf      10.17547648       2.59310388      -6.75501247      -0.01950481       0.22927881      -0.26992361 
Hf       4.98762214       8.64087012      -1.52412421      -0.43763436      -0.13878865      -0.73600870 
Hf       4.93653763       7.69933587      -6.80034413       0.24956582      -0.18926326       0.42950424 
Hf      10.11612857       8.51747476      -1.56620415       0.85397763       1.43377118       0.24299587 
Hf      10.13720373       7.71398784      -6.82010696       0.36013914      -0.01272467       0.71609665 
O       1.35014288       1.44223446      -7.97095176       0.15127798       0.37718433      -0.24909869 
O       6.62357222       2.43877120      -2.69826445      -0.54255671      -0.56835176      -0.02934205 
O       6.57859086       1.49742739      -7.85911486      -0.66130931      -0.39548364      -0.88359269 
O       1.41348472       7.54686986      -2.70060135      -0.68466488       0.08420371      -0.56619551 
O       1.23302691       6.66842616      -8.03619620       0.19399301      -0.16502889       0.20935464 
O       6.60130789       7.49907675      -2.65946825      -0.02155161       0.53253319      -0.52831478 
O       6.43189777       6.56088920      -7.91535987       0.62250374       0.49374422      -0.87495102 
O       3.96350583       1.45143501      -5.16969652       0.28072146      -0.04945586      -0.23826675 
O       4.07186902       2.21515762      -0.00196224      -1.06094997       0.36885612       0.88328060 
O       9.21495688       1.55809724      -5.20311558      -0.85307212      -1.42448071       1.26913231 
O       9.13581255       0.54444996     -10.39874749       0.11724592      -0.21071536       0.53358743 
O       3.94501412       6.59116400      -5.12971061      -0.14920123      -0.14099063      -0.19571781 
O       3.92848575       5.64789713     -10.39319426       0.17397244       0.37671779       0.40157148 
O       9.18629650       6.52264215      -5.11762989      -0.51713664       0.82563750      -0.80281173 
O       9.02884135       5.66843335     -10.39991453       0.90950833      -0.27597399       0.31260550 
O       3.77730873       1.87589515      -2.55514442       0.93285566       0.19904858      -0.50886866 
O       3.87851373       0.90432544      -7.79286110      -0.11346799       0.66187386       0.06664836 
O       9.13017582       1.77442448      -2.48482042      -0.42602300       0.69509597      -0.18850372 
O       9.04199847       1.05591700      -7.70140940       0.34993953      -0.80167625      -1.15870260 
O       3.84114151       7.08847383      -2.54313185       0.73240578      -0.16875450       0.05179342 
O       3.73154478       6.18010116      -7.72036265       0.40814371      -0.18773769      -0.65695723 
O       9.14870680       6.96134562      -2.55049203      -1.08106943       0.41098082       0.47636777 
O       9.01196969       6.25230563      -7.77993918      -0.57186053      -0.94408208       0.18618120 
O       1.31137617       2.87890788      -0.21734804       0.00174782      -0.49696805       0.75226237 
O       1.22882673       2.09119693      -5.30909441       0.66539318      -1.06002798       0.06377835 
O       6.45071096       2.89630990      -0.09034084       0.55509250      -0.45648364       0.32186143 
O       6.44995402       1.92418060      -5.33130084       0.28108491       0.05109259       0.15695499 
O       1.22677943       7.87519638      -0.15027083      -0.41403980       0.47357543       0.60639011 
O       1.30036921       7.09443751      -5.34301550      -0.27831986       0.14656156      -0.63202451 
O       6.48445323       7.92291843      -0.07147748      -0.87102502       0.47770412      -0.03987730 
O       6.45114392       7.14926522      -5.30415641       0.27689717      -0.28711251      -0.11689500 
O       3.41945066       4.58753680      -0.84408722       0.47546608       0.11977327       0.40291384 
O       3.34458027       3.71319648      -6.15386353       1.07003841      -0.09114750      -0.08606590 
O       8.73551345       4.67651769      -0.72836667      -0.34149176       0.20010524      -0.40576096 
O       8.61249069       3.72148283      -6.08148668       0.01337073       0.80669681      -0.09911066 
O       3.36601212       9.66749833      -0.98556590       0.14224478       0.35679168       1.05372423 
O       3.50687366       8.94436599      -5.99704790      -0.49029106       0.29388118      -0.78580178 
O       8.57165808       9.68824258      -0.87835125      -0.03012594       0.47754243       0.04358701 
O       8.74269439       8.97195033      -5.99781035      -0.28520768      -0.73212504      -0.53386148 
O       0.85320375       0.02931153      -1.71119497      -0.26813689       0.05036054      -0.68494769 
O       0.69218961      -0.71428284      -6.93931643       0.82983824      -0.64976841      -0.62422332 
O       6.05359585       0.10102415      -1.83189720       0.05567159      -0.02607504       0.26677879 
O       6.15382480      -0.98828685      -7.17559744       0.61495349       1.07813557       0.94118394 
O       0.91709991       5.19923417      -1.89117541       0.20457678      -0.24770389       1.01090993 
O       0.92492047       4.26457349      -7.16931179      -0.38812408       0.51868119       0.42509320 
O       6.01726556       5.20938647      -1.88041316       0.60390850      -0.13864940       0.99655789 
O       6.01992995       4.35156915      -7.02874644      -0.63883060      -1.12158254      -0.00185521 
O       1.80303994      -0.25143101      -4.42729319       0.42717333      -1.26502343       0.50624904 
O       1.80891431      -1.23372158      -9.71087475      -1.01784398       0.38667112       1.15423521 
O       7.03714045      -0.35610582      -4.44252586      -0.56967499       0.41367406       0.48310006 
O       6.90859422      -1.27990895      -9.72936376      -0.03267829      -0.23637029       0.19588019 
O       1.74971269       4.73661947      -4.39158910       0.22421118       0.14361131      -1.01616687 
O       1.71704768       3.80158700      -9.67531620       0.13299921      -0.12534712      -0.24064829 
O       6.98255140       4.77437094      -4.45151363      -0.75704510      -0.14948388       0.73940923 
O       6.83116283       3.78754307      -9.67586065       0.56989149       0.00185307      -0.46846457 
O       4.26559399       4.25208842      -3.40505462       0.70972098      -0.01296881      -0.57950984 
O       4.34557381       3.29290981      -8.71194423      -0.46793531      -0.60508319       0.17006369 
O       9.56715245       4.18717577      -3.41800741      -0.56062781      -0.57691909      -0.25695632 
O       9.43341772       3.34629976      -8.63579189       0.11300273      -0.02071720      -0.22306920 
O       4.45275479       9.32731115      -3.53209868      -0.03126969       0.09238884       0.37906911 
O       4.24451021       8.46858596      -8.64262157       0.06299369      -0.10228893      -0.47251904 
O       9.62999846       9.35220517      -3.48436596      -0.88153947      -1.05866969       0.34627817 
O       9.52824412       8.44963998      -8.81272317       0.32948998       0.63426248       0.81756264 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0013716591987858824 0.0011980053915913438 -0.0010797273393842299 0.0011980053915913438 -0.004413037656528511 0.0034012647727183713 -0.0010797273393842299 0.0034012647727183713 -0.004040581491426042" pbc="T T T" energy=-961.56028793 free_energy=-961.56028793 config_type=crystal 
Hf       2.79556498       2.94668098      -4.09230615      -0.14311967       0.93248219      -0.60455228 
Hf       2.74602353       2.14239400      -9.37304289       1.71570247      -0.31057507      -0.09710526 
Hf       8.04947365       3.04815664      -4.13115139      -0.21785998      -0.06127615      -0.37717532 
Hf       7.99409244       2.19923597      -9.39030964      -0.03192939      -0.27842398       0.38650723 
Hf       2.74798013       8.07495495      -4.20745336       0.89815459       0.57288817       0.96475694 
Hf       2.88306113       7.31340041      -9.45876232      -0.90449346      -0.12025466       0.89493680 
Hf       7.98089490       8.19583093      -4.17682179       0.04020541      -0.36271478       0.22083830 
Hf       7.98114166       7.19208587      -9.51589537       1.10559228       1.11275445       0.78126513 
Hf       0.23308975       0.77132023      -3.69703064       0.21769239       0.46720410       0.11581445 
Hf       0.13499238      -0.12796376      -8.96953103       1.85841892      -0.74907202       1.17234267 
Hf       5.37842877       0.78638224      -3.73157893       0.51137862      -0.16198591       0.57282022 
Hf       5.47710727      -0.13726094      -8.97772411      -1.44202175       0.48716921      -0.72710519 
Hf       0.19352392       5.94836946      -3.74308263       1.11938374      -0.85598653       0.53252052 
Hf       0.23760433       5.04214914      -8.97260676       0.39520113       1.28226215       0.40973233 
Hf       5.32190089       5.93642940      -3.76422073       1.31785461      -0.14441438       0.76793755 
Hf       5.43321638       5.08672443      -8.88033329      -0.78808546      -0.64238029      -0.60649485 
Hf       2.42853487       1.19856055      -1.13038378       0.15366296       0.67029861       0.86545616 
Hf       2.37093201       0.33543412      -6.29627026      -0.66570291       0.08980659      -0.08796954 
Hf       7.59102245       1.32904332      -1.09589292      -0.05198808      -0.64635071       0.10938995 
Hf       7.49113047       0.31650141      -6.33914510       1.20900441       0.00455176       0.02707605 
Hf       2.40135074       6.39275456      -1.08452152       0.30655057      -0.20178817      -0.55084148 
Hf       2.41668536       5.36972385      -6.31767896      -0.45837855       0.91681211      -0.02723043 
Hf       7.59770560       6.26248753      -1.17982368      -0.75038413       2.01032797       0.09914032 
Hf       7.61487473       5.47245112      -6.30003399      -0.23617959      -0.07505776      -0.24858040 
Hf       4.97147032       3.52073807      -1.54925789      -1.03883148      -0.02476778       0.76491091 
Hf       4.98464677       2.52835825      -6.80470029      -0.96525533       0.63472168       0.52110543 
Hf      10.29580493       3.48088536      -1.43151934       0.28657980      -0.45614350      -1.33562233 
Hf      10.13641053       2.52320640      -6.79662261       0.94219437       0.17023558       0.37367009 
Hf       5.03126782       8.64622858      -1.57167222       0.04336026      -0.94362357      -0.25199380 
Hf       4.99701029       7.73816453      -6.75827826      -0.68896822      -0.94366694       0.28925523 
Hf      10.14523501       8.62430632      -1.54037492       0.51340487       0.69656439       0.06041101 
Hf      10.12048148       7.67758227      -6.79322620       1.38032186       0.44780062      -0.32930294 
O       1.27954010       1.53421677      -7.98981301      -0.28445833      -0.50967496      -0.04597387 
O       6.45695833       2.50262160      -2.81996948       1.29024901      -1.14774099       0.62042841 
O       6.50252143       1.36780024      -8.01859228       0.49767812       1.09193801       0.50681299 
O       1.40604454       7.44927722      -2.73092914      -0.95774903       0.37127319       0.11908020 
O       1.31066028       6.64259577      -8.02803976       0.29680944      -0.25882432       0.04386563 
O       6.51296056       7.57305958      -2.78527083       0.21870175      -0.53348375       0.16358879 
O       6.61521967       6.62221570      -7.97556571      -0.98906134      -0.19872495       0.17316960 
O       3.94578871       1.42085990      -5.02479580      -0.70317741      -0.01943092      -0.81845673 
O       3.94801847       0.62308034     -10.35514822       0.27333840      -0.45540273       0.31906602 
O       9.18853467       1.43575639      -5.14019922      -0.97124032      -0.17426471       0.31300823 
O       9.21232533       0.73361333     -10.27363596      -0.59877163      -0.42921610      -1.09264208 
O       3.92649809       6.47508030      -5.15727170      -0.24264141       0.87400350      -0.37853179 
O       4.01169830       5.71007234     -10.41652561      -0.12492526       0.17392706       0.35845624 
O       9.17673327       6.61323994      -5.10127166      -1.11216975      -0.49451624      -0.86334488 
O       9.20879762       7.53971376      -0.01318264      -0.63156100      -0.62448584       0.89609545 
O       3.86083257       1.95144344      -2.47004053      -0.37707994      -0.48490383      -0.24581229 
O       3.79060280       1.03825700      -7.68571387       0.24734035      -0.68438768      -0.07125761 
O       9.21127228       1.82452817      -2.38151157      -1.07143659       0.79224544      -0.15638478 
O       9.02299462       0.97031375      -7.77364440      -0.33127581       0.40105804       0.31373584 
O       3.92096058       6.98228402      -2.54982776      -0.56349572       0.47969379       0.20254507 
O       3.80023637       6.15540676      -7.75810427       1.06960122      -0.00636029      -0.30212635 
O       9.04432839       7.07645724      -2.57773369      -0.01827340      -0.72978977       0.45788492 
O       9.05599628       6.16360956      -7.82510283      -0.27530385      -0.87055158       0.46570338 
O       1.46555942       2.82928045      -0.10761451      -2.09564700       0.18418993      -1.30495273 
O       1.24584552       1.91889118      -5.35084642       0.32431218      -0.30375144       0.56238739 
O       6.33626227       2.90395548      -0.11241296       2.39997556      -0.59106249       0.06280663 
O       6.40904130       1.86537744      -5.36437999       0.60662332       0.03456409      -0.27753549 
O       1.29716266       7.92821789      -0.12772901       0.19091219       0.67922656      -0.07434331 
O       1.23221137       7.03049182      -5.32758111       0.40395142       0.17369428      -0.43526095 
O       6.51905094       8.04938178      -0.14481262       0.01672783      -0.67067308       0.06486848 
O       6.47887406       6.97112612      -5.33290627      -0.41155304       0.69339589      -0.56690627 
O       3.59137918       4.79797902      -0.74106136      -0.44543959      -0.49988753       0.05220667 
O       3.36124776       3.61610202      -6.10944007       1.01526459      -0.09990645       0.44638883 
O       8.76669441       4.70449378      -0.88231123      -0.77344684      -0.23659765       0.84583840 
O       8.63670652       3.68507017      -6.09564409      -0.25304431       0.74929773       0.50053795 
O       3.64227022       9.87633089      -0.75797927      -0.32873001       0.00144148       0.14660097 
O       3.50800932       8.94976604      -5.96615760       0.30729735      -0.60739419      -0.50681862 
O       8.75591895       9.97584640      -0.73403636       0.18702990      -0.76290111      -0.18367191 
O       8.64483994       8.87144787      -6.07701731      -0.39990883       0.54253129       0.28067450 
O       0.93025298       0.03825662      -1.76260909      -0.21517044      -0.24505930      -0.41868240 
O       0.84015042      -0.83168291      -6.99744588       0.26797780       0.24139250      -0.19423040 
O       6.21517211       0.04538287      -1.85647917      -0.13121349       0.56488414      -0.14730913 
O       6.08649818      -0.93308250      -7.04023219       0.35092062       0.94090582      -0.49587659 
O       0.93578384       5.11999839      -1.92542696       0.56883370       0.48657309       1.09941257 
O       0.94373605       4.28686405      -6.99888247      -1.88397351      -0.82329409      -1.35216871 
O       6.05635676       5.20492116      -1.86204795       0.77756700       0.40889321       0.26653069 
O       6.11967252       4.28591599      -6.99550117      -0.64956850      -0.10322089      -0.70944219 
O       1.70986165      -0.44585877      -4.33220231       0.06718824       0.06568983      -0.74026314 
O       1.79549378      -1.21923159      -9.71131115      -0.30768786      -0.75967235       0.55601074 
O       6.74892271      -0.49723826      -4.56505393       0.39896502       0.24753008       0.55746802 
O       6.99641590      -1.24634543      -9.65754427      -0.07449008       0.20929839      -0.48010219 
O       1.71288439       4.71442861      -4.41463064       0.32705624      -0.27450023      -0.08593210 
O       1.65675924       3.84975648      -9.74556133       0.16256168      -0.54318511       0.17333999 
O       6.89228260       4.71192256      -4.41276584       0.85706500      -0.17639000      -0.30555628 
O       6.91296500       3.91288411      -9.66753463       0.36772409      -0.18847861      -0.67494375 
O       4.31580728       4.20289677      -3.43349987      -0.62685186      -0.06436268      -0.52426037 
O       4.29874018       3.29542086      -8.62381702       0.76476029       1.13078166      -0.14602857 
O       9.57951410       4.13420543      -3.42440006      -0.34972356       0.19021329      -0.08378436 
O       9.46300471       3.39403408      -8.67156748      -0.17053333      -0.54084046       0.08979707 
O       4.25765217       9.36194426      -3.37340723       0.10248097       0.23148575      -0.12108349 
O       4.39810641       8.47904988      -8.60679200      -0.87049380      -0.71841981      -0.52510694 
O       9.42788447       9.40476058      -3.35103279      -0.08784635       0.01356634      -0.38117100 
O       9.58341347       8.41344775      -8.66069318      -0.62381668       0.44559890      -0.65490972 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0008655857363013645 0.0031270953869607233 0.00041061760698486905 0.0031270953869607233 -0.0032431630836090154 0.0014156384823962099 0.00041061760698486905 0.0014156384823962099 0.001959076770470374" pbc="T T T" energy=-961.4657596 free_energy=-961.4657596 config_type=crystal 
Hf       2.83100129       3.03252333      -4.14351604      -0.30399853      -0.31676557      -0.98443256 
Hf       2.80556127       2.09171070      -9.46515928       0.58672400       0.35677454       0.71104888 
Hf       8.13795075       2.97408720      -4.15694985      -2.24150352       0.27119220      -0.60482663 
Hf       7.93219506       2.21606994      -9.47721983       0.37296047      -0.97362651       0.88017824 
Hf       2.78885586       8.12345434      -4.14927309       0.42182662      -0.37081311       0.50487703 
Hf       2.73764854       7.38057864      -9.43680917       1.70558508      -2.03011960       0.64837561 
Hf       7.99960740       8.18697808      -4.12245711      -0.77075584      -0.04506716       0.48070816 
Hf       7.99973146       7.21667302      -9.38277158       0.08969367       0.16768659       0.61287827 
Hf       0.22537090       0.75903870      -3.74070960       1.21360208       0.40576088       0.09875692 
Hf       0.21958444      -0.13800336      -8.97564080      -1.00938010       1.00851086       0.59409716 
Hf       5.41271965       0.79430525      -3.73217903       0.16667447       0.12118594       0.20241701 
Hf       5.34795830      -0.17892307      -8.93979695       1.37541361       0.50808736       0.25382748 
Hf       0.20539639       5.93477422      -3.71520862       0.36789584      -0.46544958       0.45531159 
Hf       0.32302035       5.08988688      -8.97031637      -1.91691290      -0.18025071       0.42638029 
Hf       5.40042087       5.87926087      -3.71478608       1.23916417       0.57979058       0.29988192 
Hf       5.38283737       5.16499451      -9.01586329      -0.18362014      -1.34275512       1.20624536 
Hf       2.40431509       1.28545426      -1.11967454       0.31580333      -0.53164683      -0.06821338 
Hf       2.43563248       0.26481415      -6.30218608      -0.39080611       1.77447828      -0.06816816 
Hf       7.61023556       1.21790691      -1.06401682      -1.64191583       0.04176325       0.35236646 
Hf       7.57728233       0.36624966      -6.31442819      -1.00540306       0.45756837      -0.67769641 
Hf       2.36384386       6.35667091      -1.10148543      -0.17733034      -0.32773944       0.00754906 
Hf       2.42302417       5.40743551      -6.38526955      -0.66101134       0.79160537       0.66620506 
Hf       7.53895107       6.38473484      -1.04805121       0.55613705      -0.06916832      -1.20837935 
Hf       7.60692511       5.50571593      -6.20996585      -0.37563491      -0.69550150      -1.55728034 
Hf       5.03663316       3.41767046      -1.56883413       0.47167918       0.38807355       0.90527652 
Hf       4.94889273       2.60070213      -6.85421181       1.45843565      -0.21452224       0.03766103 
Hf      10.13265673       3.39740231      -1.58234607       0.41220709       1.18633886       1.18571561 
Hf      10.17473036       2.52728989      -6.86507635       0.05440939       1.20388453       0.77336647 
Hf       4.95047444       8.59744117      -1.50653836       0.39216596       0.29644117      -0.11430442 
Hf       4.94087599       7.63560415      -6.74368780       1.16589347       0.58691529      -0.13417459 
Hf      10.17132556       8.66860300      -1.54066862      -0.14083407      -1.43954110       0.81631328 
Hf      10.17083535       7.78115807      -6.76014999       0.05897646      -1.51947364       0.17568184 
O       1.29860692       1.44715681      -7.89880591       0.04953435      -0.22702922      -1.16564992 
O       6.52428308       2.42289213      -2.75634203       0.42377259      -0.78383446       0.57979817 
O       6.37442396       1.48596672      -8.03951134       1.15868845      -0.22768666       0.53640053 
O       1.25542204       7.41276563      -2.77274079       0.95074745       1.11871315       0.73575362 
O       1.36909447       6.70135367      -7.95602003      -0.28515518      -0.72459492      -0.04066301 
O       6.56082418       7.40800692      -2.75928744      -0.32046645       0.77067227       0.71020672 
O       6.47582461       6.59109380      -7.95603883       0.70423054       0.70139705      -0.00941030 
O       3.95738480       1.39531216      -5.25295303       0.17321407       0.01925824       1.04464566 
O       3.98912372       0.51369591     -10.39469878      -0.99379538       0.04547924      -0.57618554 
O       9.19139439       1.41155240      -5.19064834      -0.31389322      -0.05208894       0.27733648 
O       9.14882484       0.59258538     -10.40786305       0.10604972      -0.77346802       0.36893066 
O       3.94006750       6.49618631      -5.14418346      -0.05415040       0.38322464      -0.03594382 
O       3.88613325       5.72915439     -10.41288821       0.42630678      -0.57003570       0.29615238 
O       9.11744843       6.68873745      -4.98821354       0.22889309      -0.49975787      -1.17687518 
O       9.15549042       5.73803076     -10.36658136       0.33125043      -0.25965598      -0.11286153 
O       3.83810224       1.87773148      -2.59542487      -0.64592068       0.00984621       0.57850785 
O       3.75111729       0.93131881      -7.83363571       0.36805725       0.12234030       0.07612323 
O       9.08862212       1.78853248      -2.51424926       0.16232981      -0.09723087      -0.33203272 
O       9.04100298       1.06692712      -7.77396414      -0.82479702      -0.83639922      -0.40435163 
O       3.81836972       7.00500089      -2.49901889       0.00629252      -0.21296640      -0.15494637 
O       3.87538345       6.12005672      -7.75531636      -0.39735621      -0.44250872      -0.07491779 
O       9.03073072       6.94003421      -2.37420862       0.65358730       0.82562552      -0.97573104 
O       9.06635374       6.01844432      -7.80017570      -0.17758660       1.20244722       1.22939371 
O       1.24056049       2.86622668      -0.15689670       0.69242316      -0.95753848       0.07019805 
O       1.25606874       1.96725066      -5.29934420       0.19329445      -0.53175133       0.42177061 
O       6.44588934       0.86166734     -10.49951835       0.10555425       1.11586846      -1.34248402 
O       6.45964391       2.05470815      -5.31551772       0.09803386      -0.95192371      -0.67215710 
O       1.31603778       8.01203897      -0.12786625      -0.34384462      -0.47258618       0.02275422 
O       1.29792562       7.13274047      -5.29345106      -0.58101953      -0.52914605      -1.00532933 
O       6.48772815       8.00117823      -0.05952824      -0.52392646      -0.16978386      -0.61974534 
O       6.42315901       7.10519206      -5.30669314       0.26335458      -0.22097021      -0.13612558 
O       3.46542865       4.60748223      -0.83743457      -0.02596603       0.14336442      -0.06623341 
O       3.41210804       3.66887192      -6.08285217      -0.01940672       0.66956389       0.14732896 
O       8.47823759       4.52427598      -0.94281099       0.64514976       0.30871604       0.72168490 
O       8.73189150       3.83916575      -5.95111477       0.76196124      -0.76153223      -0.39883927 
O       3.59641567       9.84518160      -0.68068142      -0.88186865       1.10076324      -1.00556176 
O       3.50068635       8.90138709      -6.04399728      -0.00590872      -0.73688109       0.43158810 
O       8.67220424       9.83850520      -0.78615307       0.70457323      -0.51618466       0.02024955 
O       8.64155328       8.92160261      -6.09996372       0.08882779       0.01627499       0.73696768 
O       1.03991860      -0.04376394      -1.83332895      -0.39910715       0.79777289       0.03491586 
O       0.91916477      -0.89602730      -7.04457009      -0.17474400       0.42190204      -0.20536501 
O       6.04657825       0.01850388      -1.81357242       0.79787425       0.80129789      -0.02491510 
O       6.09772063      -0.88779005      -6.91417981      -0.58630007       0.19131893      -0.91506283 
O       0.84590405       5.17606132      -1.80320487      -0.10002312      -0.60559384       0.02026228 
O       0.87979054       4.27792977      -7.05182253       0.34719592       0.43593195      -0.52970206 
O       6.12819319       5.12754257      -1.77905059      -1.18009560       0.04905634      -0.34513846 
O       6.17687483       4.29491145      -7.04603702      -0.89497688      -0.22459283      -0.15464791 
O       1.83909136      -0.38179950      -4.31487004      -0.50882000       0.21165976      -0.78422582 
O       1.67398043      -1.30133022      -9.68881061      -0.38346719       1.29594812      -0.62634967 
O       7.00072808      -0.25974685      -4.37486534       0.42068676      -0.87088030      -0.06960207 
O       6.87473183      -1.38016575      -9.68222432       0.34983669      -0.06589100       0.18422714 
O       1.81162368       4.80614664      -4.44806114      -0.30948298      -0.51269976       0.57590077 
O       1.66553790       3.77340007      -9.69838315       0.45932926       0.40295165      -0.28966235 
O       7.00327453       4.75944328      -4.37657358      -0.28729349       0.08797057       0.24942840 
O       6.80625012       3.85208849      -9.73640535       0.28864898      -0.02303932       0.29683881 
O       4.42889161       4.16941008      -3.42255563      -1.13056573      -0.60849435      -0.49917096 
O       4.32398953       3.34695850      -8.70177735      -0.65065288      -0.05708247      -0.17840240 
O       9.59269149       4.10877343      -3.41621066       0.44554979       0.68819043      -0.35802339 
O       9.46712477       3.41066918      -8.70307491      -0.11940625      -0.59210626      -0.20052524 
O       4.36033000       9.28959713      -3.33228662      -0.42071687       0.43088787      -1.33425677 
O       4.33283915       8.39975387      -8.67360050      -0.40113880      -0.09937737       0.65686507 
O       9.55956712       9.28991025      -3.39122357      -0.23664622       0.33403631      -0.56491133 
O       9.52300585       8.40818374      -8.62291586       0.13610120       0.82087535      -0.59001202 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004318107804210446 0.0017547165047235723 -3.496726220610197e-05 0.0017547165047235723 -0.0034031370257278444 0.003636009391455976 -3.496726220610197e-05 0.003636009391455976 -0.014364072900095585" pbc="T T T" energy=-961.34654259 free_energy=-961.34654259 config_type=crystal 
Hf       2.75277078       2.95498402      -4.15413055       0.88904730       1.19435765       0.28893936 
Hf       2.88326582       2.17154913      -9.45712696      -0.14441387      -0.81749442       0.19734786 
Hf       8.06367354       2.99540490      -4.14919328      -0.98455211       0.98436479       0.84542103 
Hf       7.99403737       2.10046926      -9.36949632       0.60117359       0.06001289      -0.97462602 
Hf       2.78269930       8.14494583      -4.18435029      -0.22420656      -0.32124194       0.40651068 
Hf       2.79051020       7.28940998      -9.36547407      -0.22736201       0.07936778      -0.02988519 
Hf       8.00171206       8.18683126      -4.10469779      -0.78099882      -0.97281609      -0.56340740 
Hf       8.12505047       7.25337127      -9.46080972      -0.71080463       0.13420819       0.07549594 
Hf       0.22551522       0.77378942      -3.73219489       0.24867243      -0.12720614       0.89117046 
Hf       0.27403582      -0.03479235      -9.06395030      -0.33028958      -0.96365295       0.88600875 
Hf       5.34585509       0.70629446      -3.71731031       0.34332487       0.71771055       0.17566679 
Hf       5.45451659      -0.06768554      -9.00054525      -0.32928542      -1.63862279       0.29654523 
Hf       0.18102741       5.88798856      -3.73378951       0.64216479       0.54435630      -0.85260222 
Hf       0.24988348       4.91860426      -8.92984943      -0.92371004       1.55970464      -1.40995113 
Hf       5.34598227       5.97790189      -3.68185225       0.62064328      -0.76405583      -0.42473232 
Hf       5.47167741       5.08584477      -8.88214926      -0.75847622      -0.98794029      -1.36691845 
Hf       2.42136017       1.26066423      -1.16233832      -1.40422942      -0.87366700       0.97658202 
Hf       2.39093323       0.30377305      -6.32088405      -0.77650328      -0.49544410      -1.09624409 
Hf       7.55750492       1.19852734      -1.16292887      -0.01546145      -0.35705484       1.11399388 
Hf       7.59283327       0.46725025      -6.31288922      -0.77242790      -2.23861959      -0.67068868 
Hf       2.40835754       6.39335117      -1.11023683      -1.28437187      -0.53196217       0.24141019 
Hf       2.36264357       5.46405789      -6.37075196      -0.23285022       0.23037946       0.96689169 
Hf       7.51740150       6.37033807      -1.07466851       1.26969657       0.59246620      -0.16827277 
Hf       7.52795970       5.44279744      -6.24077625       1.20523715       0.05858783      -0.80036493 
Hf       5.06452632       3.49938703      -1.56202492      -1.48505458      -0.29374527      -0.11487636 
Hf       4.92333291       2.57050238      -6.79874132      -0.46492187      -0.17716099       0.36195795 
Hf      10.17817796       3.52225350      -1.50956200      -0.65070085      -0.15786182      -0.72332495 
Hf      10.19185678       2.53787601      -6.77340309       0.22931743       0.17656042      -0.66530678 
Hf       4.94578541       8.61058319      -1.42022974      -0.82674289      -0.33051718      -0.95553519 
Hf       5.07913165       7.69145721      -6.80540278      -0.91007244       0.80713842       0.39563770 
Hf      10.16650166       8.58394444      -1.60438239      -0.11585388      -0.82834002       1.07539184 
Hf      10.07489500       7.69766224      -6.78506525       0.82458167       0.33672889       0.08532459 
O       1.37513268       1.54274551      -8.09903096      -0.63194432      -0.72044599       0.52646768 
O       6.53246045       2.31337451      -2.72823900      -0.21760017      -0.15460121      -0.65027435 
O       6.51900657       1.43588643      -8.02900424       0.04769387       0.29867685       0.14046560 
O       1.23946556       7.47076231      -2.81501058       0.39662618       0.54486622       0.79393087 
O       1.31489859       6.63280063      -7.99565900       0.44919269      -0.20868275      -0.08725753 
O       6.45349742       7.57026823      -2.66605873      -0.43334240      -0.17830844      -0.54362512 
O       6.54540436       6.60914599      -7.98651719       0.51516267       0.26270869       0.31270347 
O       3.94753428       1.50128826      -5.11227040      -0.48706247      -0.92910005       0.30450096 
O       3.96357077       0.55525319     -10.38654749      -0.01923585       0.26088459      -0.02550957 
O       9.17865662       1.47749205      -5.06877393      -0.39564822      -0.82478075      -0.64687453 
O       9.08379167       0.56850720     -10.40073273       0.27562304      -0.16368820       0.25980692 
O       3.90960534       6.52337427      -5.08643402      -0.25739966       0.70744132      -0.30250244 
O       3.94279309       5.72104995     -10.28065193      -0.37313688      -0.14399523      -0.37939495 
O       9.09148111       6.59907392      -5.10245266      -0.39470750      -0.24463541      -0.56584120 
O       9.11106765       5.64994397     -10.46530807       0.14040330       0.41588977       0.72085322 
O       3.78668441       1.99640304      -2.42659940       0.59458421       0.00802219      -1.25024390 
O       3.83317018       0.88657880      -7.68264580       0.62729694       0.42667784      -0.58333730 
O       9.07266190       1.96389394      -2.45365259       0.16261828      -0.42880380      -0.79540198 
O       8.97968922       1.01570694      -7.79138241       0.77441303      -0.32431843       1.02324435 
O       3.80239038       6.97278309      -2.48186094       0.58406566       0.92262896      -0.32315051 
O       3.85553913       6.04238455      -7.68279670       0.68638206       0.70222696      -0.54485501 
O       8.88323466       6.96060781      -2.56165646       1.25702573       0.42584625       0.17905082 
O       9.16072817       6.03806401      -7.72878653      -1.25531502       0.30417637      -0.11333791 
O       1.23887290       2.82600965      -0.24415110       0.71544458      -0.11751654       0.28525277 
O       1.34710040       1.93393974      -5.41817018      -0.85954627      -0.33688813       0.25791972 
O       6.47741734       2.76652663      -0.11548165       0.14668568       0.54809540      -0.37835636 
O       6.36942415       1.91731772      -5.50543130       1.35933840      -0.11427056       1.55214861 
O       1.24147661       7.84947623      -0.08280856       0.05614289       0.84633809      -0.72761641 
O       1.17005361       7.01841637      -5.37629469       0.75609444      -0.01097140      -0.19000001 
O       6.37084626       7.92047055      -0.15966013       1.16568452      -0.25509485       1.50597074 
O       6.45942010       7.02685731      -5.28155012      -0.53517367       0.27645087      -0.64328346 
O       3.54466202       4.74620597      -0.80962881       0.55155016      -0.72516704       0.06338180 
O       3.43867405       3.76411943      -6.08951532       0.18446321      -0.39661902      -0.22110576 
O       8.87300459       4.79044905      -0.77090895      -1.14341407      -0.14823933       0.60260234 
O       8.64633074       3.64734019      -6.01364156       0.23453920       0.90357203      -0.80121943 
O       3.40587470       9.82049095      -0.78244038       0.11310723      -0.61240694       0.09067395 
O       3.51477548       8.89447585      -5.93740521       0.29202229       0.09405573      -0.69335129 
O       8.71944974       9.78994832      -0.79753067      -0.35562413       0.28745615      -0.35575948 
O       8.64604823       8.91117427      -5.97728654      -0.02700179       0.67234058      -0.26666377 
O       0.76231807       0.04619379      -1.80872703       1.33551027       0.75947846      -0.01568942 
O       0.81322408      -0.85579169      -7.16646529       1.06593927       0.91434496       0.61033877 
O       5.92443794      -0.00310217      -1.77960586       1.51009688       1.55033046      -0.32145432 
O       6.14407267      -0.86765477      -7.09443936       0.10925424       0.03522294      -0.03364044 
O       1.01750642       5.05915821      -2.03468029       0.56441005       0.60416628       1.69740187 
O       0.89212611       4.26497273      -7.16094660       0.18221114      -0.70811368       1.51062561 
O       6.18453934       5.12959225      -1.90447745      -0.38466952      -0.29751987       0.20105628 
O       6.05786138       4.27980724      -7.08222834       0.31197675       0.05898658       0.39306972 
O       1.53059051      -0.48526454      -4.53211223       0.94897510      -0.34330492       0.10111255 
O       1.79245369      -1.21518274      -9.68584450      -0.57278674      -0.06368372       0.02994121 
O       6.82211912      -0.41735105      -4.45565107       0.11898386       0.49094303       0.14516500 
O       6.88262222      -1.39128401      -9.85372450      -0.42037447       0.35799494       1.08181263 
O       1.73333634       4.67925613      -4.43645317      -0.78171419       0.36951599      -0.84455293 
O       1.77373079       3.84653259      -9.68278264       0.28948880      -0.60321132      -0.47536229 
O       6.92437572       4.72088336      -4.48688191      -0.71585653      -0.43959198       0.87599023 
O       6.99441255       3.85059838      -9.66843359      -0.80120686       0.27971411       0.20123053 
O       4.26609740       4.23577420      -3.46298383       0.74878411      -0.09027020       0.55638315 
O       4.42784198       3.16087307      -8.70675526       0.10127609       1.22565937      -0.36466098 
O       9.42023233       4.28883175      -3.42947689      -0.23850450      -1.10823035       0.11934766 
O       9.54710344       3.19509665      -8.64391041       0.09194349       0.84487735      -0.22515477 
O       4.18580775       9.44027325      -3.32091879      -0.99536082      -1.17659303      -0.61736636 
O       4.32403774       8.42974274      -8.62676947       0.10820671       0.00081015      -0.06762316 
O       9.43414088       9.34045799      -3.37724488       0.24692570       0.78517100      -0.15359918 
O       9.46140917       8.48527509      -8.66077435       0.03976674       0.09399171      -0.37328029 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0017105753912646283 0.000873059412951334 0.0009924420375114738 0.000873059412951334 -0.004438722265494689 0.0023618029878070233 0.0009924420375114738 0.0023618029878070233 -0.0053389278740872265" pbc="T T T" energy=-961.86675299 free_energy=-961.86675299 config_type=crystal 
Hf       2.94023342       3.04398340      -4.17969118      -1.41481621      -0.51258219      -0.20750375 
Hf       2.83558289       2.07942737      -9.42608156      -0.02243526       0.53500105      -0.05752371 
Hf       7.99271469       2.94850377      -4.12407158      -0.01472844       0.99548856      -0.64921350 
Hf       8.05368546       2.07619156      -9.43391142      -1.05749531       0.60422778       0.72191230 
Hf       2.74297741       8.14138390      -4.14452619       0.89432248       0.38200535      -0.38200577 
Hf       2.83054806       7.29727222      -9.39038671      -0.09200198      -0.71783237       0.01668091 
Hf       7.97682969       8.21115493      -4.15862302      -0.07157870      -0.67476507       0.05074746 
Hf       8.03704228       7.26832149      -9.42215108      -0.60596071      -0.68273276      -0.14364687 
Hf       0.33230283       0.86835778      -3.71851903      -1.37775227       0.00680911      -0.19355793 
Hf       0.19281967      -0.14821285      -8.86802419       0.16918730       0.38831071      -1.99231618 
Hf       5.36546075       0.76672655      -3.68113779       0.04015477      -0.13672188      -0.43613583 
Hf       5.39701867      -0.13894441      -8.91220057       0.67500369       0.82466206      -0.91497843 
Hf       0.20338815       5.91868951      -3.76534660      -0.80005899      -0.43050391       0.61871819 
Hf       0.27238865       5.04528875      -9.02809007      -0.12586739      -0.34610444       0.54488321 
Hf       5.44329247       5.93708692      -3.79857077       0.02088003      -0.45721775       0.73343118 
Hf       5.46421749       5.01996078      -8.94042163      -0.59708018       0.38978105       0.35439194 
Hf       2.38794103       1.18645529      -1.08601922      -0.13233808       0.03154175      -0.23550642 
Hf       2.33489514       0.31572862      -6.41079437       1.62288267       1.78242227       1.44278708 
Hf       7.60157712       1.27049024      -1.03956464       0.06611451      -0.39149164       0.08660682 
Hf       7.50537816       0.28249786      -6.33713171      -0.52707467       2.49874102      -0.66614150 
Hf       2.37899446       6.37316578      -1.09515536       0.07271949      -0.18258420      -0.39213167 
Hf       2.36856126       5.48622334      -6.31182068      -0.35719195      -0.20605840      -0.97770319 
Hf       7.54069820       6.37237234      -1.09863988       0.19385731      -0.38399738      -0.54883856 
Hf       7.63662369       5.50699173      -6.35170968      -0.71052899      -0.57397402      -0.12108022 
Hf       4.98886128       3.45529041      -1.52122794       0.15336133      -0.09506891       0.40774359 
Hf       4.95078262       2.59735169      -6.79885693       0.48031345      -0.18267075       0.13780362 
Hf      10.19113684       3.47952706      -1.52524725      -0.29207879       0.16667343      -0.20985191 
Hf      10.16514500       2.56698159      -6.77591609      -0.77182691       0.80979203      -0.11835452 
Hf       4.96919152       8.59060089      -1.52864576       0.23700004       0.06678282       0.31737964 
Hf       4.88995409       7.74927439      -6.78558996       0.39106430      -0.68705836       1.08994793 
Hf      10.16560103       8.61406163      -1.55248997       0.06027432      -0.57800934      -0.53858117 
Hf      10.13446817       7.70859782      -6.76061495       0.01413561      -0.16928149      -1.10234524 
O       1.32244454       1.46801855      -7.94778484       0.10930305       0.12223377      -0.80754943 
O       6.58088171       2.39692749      -2.59481363      -0.28072300      -0.27121427      -1.27238994 
O       6.52975627       1.44880629      -7.95753243      -0.17802419       0.46156073      -0.47157783 
O       1.33564551       7.48356991      -2.80868062      -0.61015833       0.00186905       0.12526223 
O       1.33560229       6.64886306      -8.00553018      -0.52929240      -0.16966766      -0.04424258 
O       6.58295260       7.41725814      -2.74832515      -0.61281283       0.68370197      -0.29207741 
O       6.51528072       6.59462539      -8.04457986       0.12178516       0.46903771       0.17773445 
O       3.90081993       1.48600256      -5.24709717       0.02616276      -0.28291166       1.11286530 
O       3.99567148       0.52129202     -10.44450295      -0.63671849       0.29770008       0.65400648 
O       9.05713079       1.52612400      -5.12260969       0.66436632      -1.36853034      -0.29120059 
O       9.15558830       0.54039357     -10.34213359       0.30633500       0.08512253      -0.42661453 
O       3.87320959       6.58396920      -5.10671664      -0.04630365       0.18205870      -0.05400718 
O       3.98745598       5.72557643     -10.35033801       0.22228433      -0.29340747      -0.22949873 
O       9.11017284       6.61502939      -5.16130918       0.14653008       0.52177103       0.06314719 
O       9.17796889       5.66891362     -10.43382323       0.24578369      -0.05996222       0.14575395 
O       3.84435169       1.83094275      -2.49354777       0.07188764       0.37823894      -0.91110006 
O       3.87971787       0.92599348      -7.82557903      -0.53543446       0.75222564       0.07703405 
O       9.13025655       1.87552866      -2.48744221      -0.23649236      -0.43835005       0.55663236 
O       8.97935164       0.93266231      -7.78165425       1.10543167       0.35533490       0.17611001 
O       3.80555807       7.00383935      -2.54647125       0.37680127       0.11569775       0.67611164 
O       3.80609234       6.16395901      -7.67763640       0.38194294       0.14530046      -0.59884982 
O       9.03937866       6.97459357      -2.52589892       0.10894143       0.28750475      -0.06785652 
O       9.05813782       6.13678914      -7.79360706       0.39337035       0.30404830       0.20171344 
O       1.34189590       2.73989534      -0.13976856      -0.71510201       0.88714409      -0.17956619 
O       1.22658201       2.00343386      -5.35872070       0.12130516      -0.33319177       0.34671531 
O       6.43118936       2.77309139      -0.03780452       0.42479694       0.34581976      -0.29986434 
O       6.34838567       1.85789900      -5.38769034       0.64715668       0.69796251       1.19990774 
O       1.44321779       7.98197585      -0.17814809      -1.45076863      -0.02239479       0.19175176 
O       1.22837060       7.10950619      -5.43835997       0.07429808      -0.31447195       0.71156997 
O       6.54618717       8.02426526      -0.18262628      -0.52642462      -0.34873751       0.00815920 
O       6.40011791       7.01789790      -5.38305413       0.21863901       0.70024778      -0.31529247 
O       3.49638362       4.67902581      -0.77010954      -0.02006932      -0.31933151       0.11216734 
O       3.50299860       3.83389420      -6.00291122       0.24161774      -0.06000097       0.10162507 
O       8.53594830       4.56087650      -0.91491198       0.41993830      -0.08978926       0.48430716 
O       8.74376729       3.82732045      -6.00608828       0.25487566      -0.28123675      -0.61327169 
O       3.61388456       9.88848312      -0.66632491       0.43113003      -0.62827629      -1.00029552 
O       3.44877196       8.97265667      -5.98805762       0.44949435      -0.85350980      -0.58403117 
O       8.75917755       9.82260545      -0.77064497      -0.26192602       0.44428463      -0.22531646 
O       8.62286270       8.98647186      -6.11490888       1.30828165      -1.92169154       0.45933668 
O       1.02866477      -0.10175091      -1.97594706       0.14103344       0.80837330       0.36338815 
O       0.96452911      -0.84796763      -7.12143374      -1.75761267      -1.94230987       0.10662644 
O       6.12282722       0.06104464      -1.81179939      -0.40955154      -0.60921703      -0.43822071 
O       5.98066585      -0.82699858      -7.02273591       0.11111353      -0.51877703      -0.21510488 
O       0.71855207       5.33210523      -1.80334947       0.49760392      -1.17955823       0.10418755 
O       0.92678158       4.25147127      -7.20567458       0.28831309       0.27049191       0.92549991 
O       5.94079923       5.19884789      -1.81768308       1.16022454       0.71933044       0.19322427 
O       6.13235003       4.32684728      -7.01939767      -0.77361760      -0.87250656      -0.65268505 
O       1.71980921      -0.30980878      -4.51314030       0.14521120      -0.94808651       0.22215494 
O       1.64229803      -1.36513756      -9.79983665      -0.30126173       0.10393573       0.87085395 
O       6.78109522      -0.40609329      -4.53483850       0.67351332      -0.95342759       1.22180763 
O       6.96379068      -1.29414883      -9.60874889      -0.09009778      -0.01839119      -0.41461955 
O       1.69649360       4.71957106      -4.43949749       0.04599705       0.20096561       0.11739781 
O       1.66979563       3.77574147      -9.76462451       0.00121516      -0.03418831      -0.00620798 
O       6.99569346       4.75053542      -4.52740188      -0.95659530      -0.12581972       1.48717531 
O       6.89043219       3.85933841      -9.69577512       0.24722322      -0.53434003      -0.18877985 
O       4.36867455       4.19016313      -3.42785202       0.01144952      -0.12539999      -0.13812310 
O       4.14253248       3.46540810      -8.49329527       0.20575354      -0.77369446      -1.24449794 
O       9.53134064       4.06108387      -3.50635440       1.18140608       1.43666773       0.88511581 
O       9.47762707       3.33516674      -8.68397371      -0.03460981      -0.23552755      -0.32121487 
O       4.36069605       9.20372846      -3.47131720       0.20946398       1.55802280       0.54105302 
O       4.26659333       8.49251894      -8.59925216      -0.23059125      -0.08242371      -0.29538685 
O       9.44581012       9.30984412      -3.42689994       0.57452799       0.92298819       0.07388399 
O       9.51597609       8.42235301      -8.73267060       0.73059955       0.55243617       1.16724055 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0023073003887387647 0.0019586747923166304 0.0024525769749641825 0.0019586747923166304 0.004884092127179291 -0.0029151134521410694 0.0024525769749641825 -0.0029151134521410694 -0.0012534621925747677" pbc="T T T" energy=-961.27828739 free_energy=-961.27828739 config_type=crystal 
Hf       2.77442364       2.98987916      -4.16358906       0.36641449      -0.32236153       1.01336096 
Hf       2.83328206       2.06704068      -9.41967389      -0.63559453       0.96783126      -0.07788165 
Hf       8.09150447       2.99208979      -4.19141372      -0.55136692       0.75624460      -0.04525074 
Hf       8.05005831       2.10103383      -9.44159229       0.40116947      -0.16519994       0.55550809 
Hf       2.81870894       8.18338196      -4.21339050       0.92273091      -0.31335885       0.76089219 
Hf       2.71264783       7.21522814      -9.38730342       2.11441070       0.91505256      -0.49073869 
Hf       8.00392883       8.13072275      -4.18216722       0.37936275      -0.05542629       0.67192417 
Hf       8.03599203       7.26931322      -9.39778248       0.29441156       0.45378925      -0.21924028 
Hf       0.22712697       0.77292816      -3.69376243       0.02290444       0.12994693      -0.07220102 
Hf       0.30118369      -0.08791817      -8.88045520      -1.86152186      -0.01468918      -1.34810969 
Hf       5.40681506       0.83181453      -3.71151105       0.61633921      -0.65535240      -0.48261560 
Hf       5.38786087      -0.02481441      -8.92634150       0.57271288      -1.70775008       0.05647254 
Hf       0.27352981       5.91748546      -3.68085469      -0.71810249       0.49694972      -0.08045216 
Hf       0.28726921       5.02801437      -8.95533015      -0.94902218       0.06378455      -0.11955374 
Hf       5.38944820       5.84416061      -3.70408629       0.39174159       0.59057887      -0.09340168 
Hf       5.45222241       4.97019037      -9.10805843      -1.69075954       0.53788701       0.95310692 
Hf       2.41596085       1.18797608      -1.11976128      -0.90533636       0.87128824       0.10632193 
Hf       2.35627318       0.35251823      -6.33501364       0.47617259      -0.27233012       0.80276954 
Hf       7.54726632       1.22782786      -1.04412462       1.30628185      -0.33042145      -1.02802217 
Hf       7.57634201       0.35690743      -6.27966884       0.25690368      -0.72666582      -0.76550115 
Hf       2.44120012       6.32115770      -1.07173265      -0.00169302       0.20805204      -0.91546825 
Hf       2.35004430       5.56814606      -6.30536114       1.57817149      -1.16881783      -0.37530669 
Hf       7.52859070       6.44772555      -1.13352797       0.77724990      -0.35332516      -0.51688295 
Hf       7.47862357       5.47859429      -6.39426645       0.83038665      -0.02326453       0.79147969 
Hf       5.01355548       3.39504728      -1.47442368      -0.24018641       0.87505237      -1.54077063 
Hf       4.91815190       2.61118827      -6.75317739       0.04150004       0.11573620      -0.24195576 
Hf      10.09472914       3.45777479      -1.53033268       0.94180812       0.28623023       0.14437340 
Hf      10.18565554       2.63887088      -6.80218530      -0.48399899      -0.32037662       0.36595137 
Hf       4.93362502       8.66794904      -1.54846950      -0.62397280      -0.80047497      -0.83475653 
Hf       4.99475456       7.67779135      -6.84330842       0.24705264       0.13641512      -0.28489322 
Hf      10.18495586       8.62556367      -1.52944843      -0.25460668      -0.50732404      -1.32376848 
Hf      10.14293907       7.69273411      -6.74742013      -1.00014899      -0.21156566      -0.00447270 
O       1.25257396       1.56478558      -7.98534512       1.10626216      -0.54032800       0.31602596 
O       6.63399430       2.35479573      -2.82434833      -0.40397529       0.06218315       0.88190522 
O       6.57559607       1.42393497      -8.02068662      -0.26923743       0.37332062       0.25513476 
O       1.42678461       7.59213261      -2.74264675      -0.70947965      -0.76012765       0.21035128 
O       1.31080845       6.64598339      -7.93361231      -0.13001713       0.06271291      -0.47050419 
O       6.56804814       7.47753767      -2.80436824      -0.60657204       0.01655129       0.96515620 
O       6.52035970       6.63348497      -8.03217321      -0.10636055      -0.58534918      -0.23232806 
O       3.86129348       1.40895551      -5.10158038       1.15124367      -0.16227081      -0.39357258 
O       3.92458420       0.57118901     -10.35226802       0.71650216      -0.54516043      -0.30960787 
O       9.17079231       1.46127800      -5.16880261       0.07676279       0.12070805       0.05124099 
O       9.09836125       0.52335633     -10.34085231       0.26341696       0.35244194      -0.48543819 
O       3.99084955       6.46989846      -5.22498042      -0.35071702       0.40808674       0.36768478 
O       3.89445307       7.39719438      -0.00995329       0.02321243       0.61279441       1.06021487 
O       9.05588676       6.55468494      -5.20241172       1.06346200      -0.22693324       0.33193779 
O       9.15884638       5.67424192     -10.42407448      -0.58784351       0.16444841       0.59188581 
O       3.91126343       1.79210629      -2.48506446      -0.43682595       0.64033417       0.33516502 
O       3.82433874       1.04495646      -7.76109777      -0.14601827      -0.84980909       0.44342401 
O       9.19265993       1.80823129      -2.43524454      -0.74771595       0.84630900      -0.58788073 
O       9.06023323       0.89805379      -7.79852827       0.11297269       1.11816396       0.72772326 
O       3.88973120       6.95944369      -2.50506660       0.00617930       0.29622124      -0.86910704 
O       3.78108945       6.03574267      -7.91538434       0.08702941       0.74781967       0.64032741 
O       9.06162896       6.99741194      -2.57123593       0.36482368       0.38479724       0.64048423 
O       9.00583329       6.03960382      -7.73428495       0.52847843       0.73398192      -0.82204599 
O       1.17763541       2.83219275      -0.18524292       0.93931808      -0.24227170       0.36738151 
O       1.28685310       1.88122486      -5.23414260      -0.72798251       0.24125438      -1.40407800 
O       6.51701984       2.87707020      -0.17635512      -0.45289377       0.04840431       0.41730940 
O       6.53309976       1.96775071      -5.43470692      -1.19393922      -0.11290352       0.25302947 
O       1.21703801       7.98965610      -0.08901797       0.83651871      -0.12176175       0.43635536 
O       1.25168362       7.04752379      -5.38498424      -0.00901453       0.31212628       0.88489851 
O       6.29743862       8.06878638      -0.18098861       2.24040459      -1.09797323       0.98795294 
O       6.50071238       7.16466068      -5.34697811      -0.97110270      -1.20785101      -1.08359976 
O       3.58693109       4.61416718      -0.79202164      -0.87303684       0.49061692       0.36712121 
O       3.35182417       3.71995699      -6.03141537       1.03634524      -0.00270880      -0.63847978 
O       8.68800933       4.73493041      -0.82681291      -0.17312531      -0.41417533       0.08418690 
O       8.62404917       3.76246037      -6.08626266       0.58023296      -0.17102670      -0.61005536 
O       3.49586151       9.83036117      -0.74915773      -0.38982658      -0.64066427      -0.17572819 
O       3.51679473       8.84582358      -6.09945318      -0.99900788       0.78580629       0.05194720 
O       8.74697903       9.77361315      -0.79967037      -1.35420363       0.83731268       0.63831874 
O       8.73757997       8.91104267      -5.92748037       0.18073598       0.86968407      -1.61834312 
O       0.87214162       0.06387653      -1.83044581       0.68124355      -0.10514180       0.72605197 
O       0.94796906      -0.89415477      -7.08232400      -0.06447931       0.22037973       0.45976862 
O       6.02879619       0.10239321      -1.80173164       0.17211349      -0.00210378       0.06734107 
O       6.07486635      -0.91263824      -6.96933319       0.26158212       1.09726597      -0.72638594 
O       0.98244593       5.11987535      -1.87912337      -0.37123943       0.14772349       0.26112007 
O       0.93196759       4.35680554      -6.96605995      -1.45669947      -1.05894823      -1.10982631 
O       6.01607640       5.23787415      -1.79882140       0.35908116      -0.69794666       0.23443102 
O       6.02631593       4.23098713      -7.24262141       0.62871661       0.80576582       1.08182044 
O       1.72592567      -0.42226657      -4.41997775       0.43012715      -0.40009386      -0.66798511 
O       1.84865812      -1.14772067      -9.60249149       0.07097473      -1.22054924      -0.16940061 
O       6.96609193      -0.35197031      -4.38826315      -0.55737678       0.37848482      -0.08517760 
O       6.95748274      -1.17380405      -9.71793419       0.03947872      -1.11361171       0.81628082 
O       1.69181973       4.65556769      -4.39048202      -0.21792610       1.12652405      -0.51677262 
O       1.78528542       3.83807354      -9.68369262      -0.30670498       0.22733726       0.00135983 
O       6.91593808       4.69485653      -4.52023429      -0.81013763       0.28625783       0.22940665 
O       6.96978879       3.84294455      -9.70800767      -0.27346120       0.50248920      -0.50417784 
O       4.31913570       4.11872715      -3.40778488       0.34466182       0.16426111       0.05584048 
O       4.28829959       3.25629955      -8.65354470       0.23487775       0.40821639      -0.75850134 
O       9.45130596       4.32339185      -3.43877778      -0.11777242      -1.27556572       0.31542844 
O       9.59643958       3.33829790      -8.74312697      -0.38290351      -0.66814038       0.70509825 
O       4.34382398       9.33822828      -3.45512729      -0.26387577       0.06872143      -0.17239847 
O       4.44845446       8.45436450      -8.79805984      -0.91413914      -0.65829194       0.87808770 
O       9.46879802       9.39860726      -3.45551445       0.46329408      -0.54054896       0.94068699 
O       9.53041704       8.42863773      -8.63681139      -0.14091078      -0.11791362      -0.11752238 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0015573417671980053 -0.001149866048525978 0.0006210941459769428 -0.001149866048525978 -0.002428679746966384 -0.00030976463116294154 0.0006210941459769428 -0.00030976463116294154 -0.0023188249171585966" pbc="T T T" energy=-962.10816667 free_energy=-962.10816667 config_type=crystal 
Hf       2.80197361       3.01654222      -4.08438703      -0.09893162       0.04590179      -1.02709024 
Hf       2.86237790       2.10088852      -9.41599039       0.13206314      -0.37230313       0.34658146 
Hf       7.99646870       3.06316465      -4.09351540      -1.15113834      -1.17778272      -1.74876920 
Hf       8.02771595       2.18267489      -9.41989944      -0.09579401      -0.81468002       0.60466001 
Hf       2.80291580       8.10770168      -4.20628465      -0.13653545      -0.50425598      -0.80815824 
Hf       2.79852445       7.27760777      -9.39162536       0.11872028       0.58815357       0.07634532 
Hf       8.03524996       8.14429340      -4.14952699      -0.76399394       0.69649584      -0.55018790 
Hf       8.01546600       7.18585225      -9.41128413       0.12081599       1.02980383       1.18608520 
Hf       0.22173627       0.79124648      -3.73592858      -0.17457481       0.31996050       0.19074856 
Hf       0.24336471      -0.07914868      -8.92957043      -0.89715078      -0.52012595      -0.01116284 
Hf       5.35268733       0.77989020      -3.72691289       0.98971201      -0.29031233      -0.11431661 
Hf       5.49860272      -0.08079541      -8.98552353      -0.73984910       0.83145038       0.46340853 
Hf       0.19793533       5.92727353      -3.69935295       0.04150605      -0.58507560      -0.47670410 
Hf       0.27724694       5.05083335      -9.05724683       0.27552572      -0.80880153       2.14602992 
Hf       5.41348531       5.94141856      -3.65585354      -0.02253464      -0.14750945      -1.81549434 
Hf       5.40738974       5.06471210      -9.00845061      -0.48299659      -0.06602965       0.40984781 
Hf       2.41294486       1.24495854      -1.07797546      -0.74952605      -0.28528910       0.86410912 
Hf       2.36202233       0.31316197      -6.31709072       0.07803440      -0.03427214      -0.87116495 
Hf       7.54808477       1.18630692      -1.07030384       0.06382591       0.48272704       0.48289979 
Hf       7.55225138       0.38153616      -6.30859417       0.86132931       0.19692539       0.25652099 
Hf       2.38367529       6.29665261      -1.12998748       0.50252878       0.50141785       0.13276135 
Hf       2.34996159       5.47788761      -6.36768138       0.59082427      -0.10908118       0.16837185 
Hf       7.56997390       6.36082120      -1.06862647      -0.66041495      -0.15125224      -0.93441556 
Hf       7.59687209       5.48357485      -6.31020380      -0.34575595      -0.28627925       0.41130895 
Hf       5.03275623       3.39987044      -1.59137962      -0.21198005       1.27180175       1.25869441 
Hf       4.95004927       2.63594862      -6.78337759       1.27338744      -0.72467874      -0.05211375 
Hf      10.14998680       3.42934691      -1.53750469      -0.15155065      -0.28417138       0.79165041 
Hf      10.20789628       2.54279170      -6.77789314      -0.68785994       0.13461860       0.64920426 
Hf       4.90975633       8.63111844      -1.56436487       0.04421004      -1.11089647       0.28587382 
Hf       5.06089491       7.76949562      -6.88210809      -0.67075597      -0.82116141       1.38709864 
Hf      10.15357914       8.65043759      -1.51759190       0.91360120      -0.16120028      -0.72822339 
Hf      10.15823742       7.72749658      -6.77234705      -0.00920758       0.00580706      -0.13343807 
O       1.34304579       1.44709120      -7.93801373       0.29284236       0.42418258      -0.33852730 
O       6.47476459       2.38144356      -2.74754149      -0.06208086      -0.73635774       0.20480367 
O       6.53048546       1.55495793      -7.99446845       0.37045383      -0.46980426       0.02283903 
O       1.32800729       7.39933078      -2.84131098       0.04219021       0.90367185       1.08354291 
O       1.22694734       6.66663489      -7.96276182       1.09771613      -0.82926543      -0.82697946 
O       6.45262111       7.50277498      -2.66963145       0.79833737       0.25648421      -0.53105384 
O       6.54052716       6.61097271      -7.98236379      -0.30872530       0.06427040      -0.60238797 
O       3.94047179       1.36537325      -5.08129157      -0.63833518       0.45611418      -0.26506943 
O       3.93322861       0.52832406     -10.34798115       0.73175280       0.01390084      -0.63591236 
O       9.11950166       1.46972256      -5.08525439       0.04594565      -0.25952809       0.50106752 
O       9.02615701       0.56996880     -10.33602708       1.33899159      -0.40909939       0.09195781 
O       4.02755130       6.52874926      -5.19124173      -0.95417323       0.38489953      -0.00876154 
O       3.91685164       7.43069063      -0.00974633       0.28364028       0.17705054       0.93303513 
O       9.19747064       6.59725378      -5.10276317      -0.35865906      -0.09533384       0.21781182 
O       9.15411370       5.56506085     -10.31040344      -0.62014243       0.42875532      -0.89194996 
O       3.79787424       1.94741879      -2.44789228      -0.14423350      -0.58485385      -0.72898772 
O       3.84689898       0.89868671      -7.79566686       0.33857326       0.99599830       0.56148303 
O       8.97126727       1.89614057      -2.40712575       0.72700683      -0.23495625      -0.68913277 
O       9.08482665       0.90479114      -7.64295475      -0.00996808       0.63146783      -0.70757997 
O       3.80507856       6.93215353      -2.56859115       0.16671485       0.53352732       0.01580041 
O       3.79621823       6.05572428      -7.87098997       0.00769813       0.61710353       0.22780229 
O       9.03266113       7.11626209      -2.54240133      -0.22113137      -0.81926910       0.90189244 
O       8.98521842       6.14455221      -7.68378753       0.78529716      -0.14123895      -1.09077061 
O       1.27779391       2.76957117      -0.10859947      -0.57872906       0.62424324      -0.69148075 
O       1.23786265       1.87314202      -5.29179512       0.45858100       0.75989127      -0.13368846 
O       6.52080191       2.81789461      -0.10012056      -0.86326444      -0.29996638      -0.56859687 
O       6.47105526       1.87602219      -5.33689859      -0.90350713       0.44272744      -0.17958871 
O       1.29296550       8.07707528      -0.07930220      -0.43062466      -1.07794244      -0.45735429 
O       1.34122344       7.04552230      -5.42273815      -0.59613253      -0.20218765       0.32880501 
O       6.43694101       7.92441917      -0.12946339       0.34603825       0.26501885       0.51892819 
O       6.47169582       7.02649688      -5.36781022       0.63876354       0.65233540       0.47330368 
O       3.53729042       4.66449850      -0.77924484       0.02690015      -0.35924887      -0.36290187 
O       3.47348705       3.68302864      -6.02698738      -0.82483862       0.79009222       0.22476085 
O       8.67436334       4.62586363      -0.86322180      -0.48522203       0.84609267       0.83969423 
O       8.69126440       3.73048081      -6.04786013       0.07411374       0.37613775       0.25958113 
O       3.39859183       9.74121722      -0.78514397       0.02134720       0.63674070      -0.06009588 
O       3.40240288       8.83407922      -6.13083890       0.69997295       0.03217814       0.15648330 
O       8.63363972       9.67502703      -0.81665328      -0.53657473       0.75606484       0.28185514 
O       8.64106328       8.88294170      -6.04537758      -0.11254030       0.27774279       0.67338936 
O       0.85851277       0.10078135      -1.76948603      -0.00304139      -0.04645330      -0.13737937 
O       0.86363664      -0.87579232      -7.11085031       0.30494696       0.30834637       0.59738111 
O       6.00235373       0.04730970      -1.75178046      -0.11731230       0.22985661      -0.41237603 
O       6.15688734      -0.83295624      -7.04395896      -0.82718693      -0.23829273      -0.58867903 
O       0.82535288       5.16742259      -1.77563233      -0.08456825      -0.28616069      -0.55585144 
O       0.94211911       4.24791387      -7.12132454       0.04861727       0.28273563      -0.23084267 
O       6.13087108       5.12809081      -1.89880461       0.38081823      -0.10339228       0.78970472 
O       6.11976271       4.36120431      -6.99182208      -1.42467812      -1.17170526      -1.55390504 
O       1.58668200      -0.43367559      -4.55176156       0.87488285      -1.13239598       0.88734419 
O       1.80959986      -1.17919546      -9.56824446       0.56492250      -1.24798073      -0.45561755 
O       6.79750908      -0.44504548      -4.43114995       0.56845577      -0.41434969       0.35590480 
O       6.91550844      -1.31420388      -9.66758787       1.06710114      -0.78105755      -0.40102090 
O       1.62570722       4.67965740      -4.46170833       0.23516787      -0.08932199       0.17144365 
O       1.70216919       3.76452667      -9.76822264      -0.35409968       0.88267139       0.25393532 
O       6.77363499       4.65103194      -4.51580976       0.69296471       0.19079615       0.60540593 
O       6.77193784       3.76661337      -9.77222998       0.99210277       0.24117898      -0.09055799 
O       4.31511684       4.20172382      -3.42615051      -0.54989916      -0.30249893       0.20172814 
O       4.36438959       3.32228920      -8.69237660      -0.58386788      -0.29204807       0.36183325 
O       9.33640436       4.23266711      -3.38268040       2.01713375       1.27247824       0.73685959 
O       9.57351848       3.25202912      -8.63756680      -0.41797739       0.51102469      -0.91538743 
O       4.16738035       9.34780444      -3.39958151       0.69151972       0.62253159       0.12320579 
O       4.49044631       8.45341117      -8.72873235      -1.23066042      -0.88844011      -0.28487207 
O       9.56716160       9.36022080      -3.40415913      -0.84691464      -0.28342350      -0.13431542 
O       9.55700300       8.39753285      -8.66550161      -0.66065242       0.12782417      -0.94914930 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0010161723113816642 -0.0004010720676220717 -0.0016872525006950843 -0.0004010720676220717 0.0009903215596840645 -0.0008123053682746637 -0.0016872525006950843 -0.0008123053682746637 -0.0013119952524025748" pbc="T T T" energy=-961.89279028 free_energy=-961.89279028 config_type=crystal 
Hf       2.73702886       2.89135805      -4.04936579       0.57830942       1.14097853      -1.76792421 
Hf       2.77158075       2.17313337      -9.46479175       0.65042283       0.26138826       0.54801148 
Hf       8.00979758       3.03637102      -4.14235110       0.07678573       0.95603770      -0.73120592 
Hf       8.05367673       2.09954745      -9.36424466       0.34304170       0.74426987      -1.31394334 
Hf       2.82129634       8.16010238      -4.12193639       0.29807010       0.32627870      -0.80701259 
Hf       2.80692053       7.24800062      -9.41889191       0.67624709       0.25799558       0.86981202 
Hf       8.07650857       8.11284472      -4.19580968      -1.15677359       0.15444729       0.45101563 
Hf       8.00551605       7.30580931      -9.43751144       0.35189706       0.21815569       0.54757090 
Hf       0.20213799       0.79181520      -3.76965625       0.87795937       0.05618757      -0.03343917 
Hf       0.17240824      -0.08638467      -8.93285974       0.78374287      -0.85254417      -0.59324990 
Hf       5.44030132       0.76494394      -3.76585052      -0.69626815       0.08222416      -0.24018773 
Hf       5.37048518      -0.09351438      -8.98499661       0.23931998      -1.00490481       0.98099395 
Hf       0.26707671       5.90105210      -3.67756948      -0.66319742      -0.34774144      -0.92631618 
Hf       0.19745769       5.10710955      -9.00415125       0.10340803      -0.49955295       0.99221863 
Hf       5.41903737       5.89979290      -3.65781862      -0.30521878      -1.08073980      -1.36852221 
Hf       5.34897540       5.05706257      -9.00581801       0.61393635      -0.83506131       1.33048077 
Hf       2.42111516       1.26829382      -1.04575883      -0.84047001      -1.37627226      -0.49421504 
Hf       2.44990418       0.36115302      -6.36697291      -0.71254893      -0.34692249       0.75648823 
Hf       7.54418529       1.25410558      -1.13332383       0.73695509       0.45544372       0.67606192 
Hf       7.55577317       0.36016939      -6.36446810       0.13376226      -0.93048619       1.06416485 
Hf       2.36948142       6.43262294      -1.08277570       0.28572341      -1.62339245      -0.46862862 
Hf       2.36520904       5.34774588      -6.27207082       0.37559255      -0.03503566      -1.12728437 
Hf       7.53685774       6.39365970      -1.02385166       1.02057696      -1.52632451      -1.10267055 
Hf       7.53575221       5.48869721      -6.43585790      -0.08942725      -0.39315988       1.30728952 
Hf       4.97937422       3.40819127      -1.55291776      -0.33434908       1.12821440      -0.46058882 
Hf       5.01470039       2.52047680      -6.78162935      -1.23264234       1.72433351       0.14764512 
Hf      10.20554028       3.43609874      -1.57774135      -0.75360699       0.30283653       0.33400319 
Hf      10.15932747       2.57723918      -6.81463952      -0.10439429       0.04622592       0.85829811 
Hf       5.01242606       8.64349986      -1.55633959      -1.01112156      -0.67319743       0.09875825 
Hf       4.99155861       7.62358703      -6.72197133      -0.95193267       1.13206856      -0.42436966 
Hf      10.20376676       8.69738758      -1.55523303      -0.23090750      -0.18133712      -0.66872048 
Hf      10.21780821       7.70116028      -6.71571802      -0.26766730       0.50151473      -0.92482437 
O       1.38326558       1.51512696      -7.98286477      -0.42829098      -0.23660578      -0.55141765 
O       6.51925885       2.43819664      -2.77355669      -0.23255976      -0.95076954       0.33725552 
O       6.64056658       1.48185942      -7.87532954      -1.10688831       0.12821970      -1.43348296 
O       1.27801158       7.50698450      -2.81381782       0.01430056       0.16450439       1.05696102 
O       1.37915383       6.56078491      -7.98818311      -0.64239249      -0.06731709      -0.06906708 
O       6.36488421       7.46360920      -2.73402986       1.73520738       0.79047172       0.37638424 
O       6.51206689       6.56891275      -7.99456474       0.34347557       0.75875022      -0.46761053 
O       3.92426657       1.50745868      -5.11313648       0.30340924      -1.18973508      -0.04012068 
O       3.93272926       0.45154166     -10.48424682       0.63542252       0.83243946       1.21739319 
O       9.07052139       1.51741029      -5.13596203       0.17102408      -0.40877864      -0.39233735 
O       9.13745765       0.59596588     -10.43002831       0.04316251      -0.74327885       0.51745044 
O       3.96549993       6.54024404      -5.11326606      -0.39369450       0.38359627       0.23895847 
O       4.00390371       5.66194830     -10.40105458      -0.42957777       0.31948481      -0.12247504 
O       9.13292291       6.55900726      -5.10554015       0.36764397       0.15477085      -0.53105431 
O       9.20111462       7.55033672      -0.01703069       0.01141760      -0.20269668       1.32613693 
O       3.80405252       1.87025481      -2.52663491       0.08458477      -0.08614943       0.26450108 
O       3.87413329       1.00676104      -7.79881745       0.43593726      -0.15504922      -0.33155250 
O       9.04560848       1.92358120      -2.53249329       0.06059704      -0.47872140       0.01854949 
O       9.07712900       1.01134182      -7.81704405       0.01108033      -0.50202383       0.42223512 
O       3.76656371       7.04220313      -2.40001507       0.71409062       0.43544512      -1.30033636 
O       3.86185009       6.06131000      -7.70951722       0.13742874       0.44266358      -0.45360903 
O       9.04860774       7.00807138      -2.51225982      -0.43379744       0.50747148       0.03577394 
O       9.10111738       6.22504942      -7.78616372      -0.63307180      -0.88488012       0.01159946 
O       1.27518438       2.80457403      -0.16117915       0.09288510       0.02240567       0.34571345 
O       1.22640777       1.83272615      -5.35969442      -0.12005267       0.35748779       0.23452438 
O       6.47780043       2.81946424      -0.12932048      -0.47334846       0.03400662       0.28388468 
O       6.39812162       1.89058338      -5.36542343       0.73466403       0.04685575       0.18153298 
O       1.40085365       7.97228896      -0.17220686      -1.56860098       0.55955297       0.06577751 
O       1.30404208       7.06841004      -5.39651010       0.04677969      -0.26051368       0.58668520 
O       6.55650141       7.97032328      -0.09878866      -0.78535619       0.25056715      -0.34068726 
O       6.47621435       7.06670768      -5.36829387       0.35089993      -0.12490306       0.09668061 
O       3.52058428       4.66357617      -0.80443470      -0.16363316      -0.02849455       0.26394753 
O       3.39176707       3.63401559      -6.05331718       0.31001122       0.18772809      -0.33861809 
O       8.75521095       4.65159095      -0.77258285      -0.50889991       0.93624555       0.10543513 
O       8.63766513       3.86015750      -6.13046477       0.30833227      -1.23981451       0.32744978 
O       3.48629205       9.78669765      -0.76839837       0.37093415       0.01080347      -0.52555174 
O       3.54719798       8.99607139      -5.94828749       0.30435891      -1.14267663      -0.85710017 
O       8.75786682       9.92283368      -0.74048697      -0.20654190      -0.22676634      -0.61213627 
O       8.74333235       8.94580958      -5.97618828       0.04721965      -0.10105945      -0.49985105 
O       0.92909446       0.09112623      -1.87108990      -0.31313913      -0.15353320       0.17781142 
O       0.85415872      -0.78776446      -7.10258162       0.37588662      -0.45964476       0.76693124 
O       6.04423015       0.04755536      -1.83315013       0.75266962       0.76155548       0.02434390 
O       6.04309937      -0.83841757      -7.04098099       0.25192890      -0.07789782      -0.48735242 
O       1.04738600       5.02600028      -1.93186172       0.13818770       1.01413548       0.36227655 
O       0.82969612       4.19003899      -7.03505719       1.00450672       1.93483761      -0.60363214 
O       6.10164816       5.13197801      -1.85167725       0.05810083      -0.10705573       0.64163850 
O       5.92662842       4.35825089      -7.03893716       0.68835512      -0.45491079       0.13798218 
O       1.85462911      -0.35179724      -4.38755257      -1.12250020       0.09791992       0.00421004 
O       1.71923390      -1.36673359      -9.66306496      -0.81930178       1.01590863      -0.14929153 
O       6.86344651      -0.43005599      -4.47698416       0.70262614      -0.26048877       0.05146748 
O       6.91686115      -1.25460441      -9.69316142      -0.28578539      -0.21803182      -0.13381966 
O       1.61323980       4.59540289      -4.53301234      -0.26734730       0.48587282       0.98320748 
O       1.66310969       3.88278591      -9.67774656       0.55237325      -0.47000650      -0.47123975 
O       6.88469498       4.68836800      -4.45487592      -0.39330796       0.86937505      -0.26625346 
O       6.90439269       3.77889479      -9.66479104      -0.13292200       0.80138423      -0.23332992 
O       4.21671856       4.21003985      -3.50412722       0.35732430      -0.20745756       1.21253003 
O       4.30411539       3.34093468      -8.69673749      -0.34585474      -0.74518607      -0.18398918 
O       9.46250047       4.26770759      -3.41270136      -0.00320461      -0.46445507       0.13420232 
O       9.56014015       3.35639815      -8.65527751      -0.93142797      -0.24426297      -0.79684748 
O       4.35564138       9.33225481      -3.49589918       0.19869449      -0.12453318       1.14419410 
O       4.26773055       8.45363093      -8.60718808       0.52390848       0.30663719      -0.32409709 
O       9.48429785       9.39418854      -3.47341543       0.10330892      -0.40848384       0.95562192 
O       9.45541657       8.45852212      -8.63309386       0.66938028       0.99567652       0.01895629 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00011852958502488718 -0.0029307380778377666 0.0003920790079225703 -0.0029307380778377666 -0.002286862436034368 0.0011279107974360976 0.0003920790079225703 0.0011279107974360976 0.0015387071300347864" pbc="T T T" energy=-961.8821512 free_energy=-961.8821512 config_type=crystal 
Hf       2.82395791       3.08009122      -4.17657461      -0.66369614      -1.57673369      -0.10306215 
Hf       2.78510444       2.10440199      -9.44010309       1.00595204      -0.27689188       0.12391957 
Hf       8.02159981       3.05857217      -4.24204302      -0.05348421      -1.57308061       1.09878115 
Hf       8.01472247       2.15731477      -9.44911050       0.13923756      -0.62958616       0.96073994 
Hf       2.80468163       8.12588242      -4.19523194       0.61749690       1.00820208       0.83585520 
Hf       2.73830136       7.26831406      -9.45096259       1.67233429       0.45678835       0.16176432 
Hf       8.04498130       8.17447769      -4.17412188      -0.40895614       0.29326320       0.58985463 
Hf       7.98353933       7.17414458      -9.33943010       0.67069566       0.67682833      -1.25284971 
Hf       0.21656045       0.80805555      -3.67447160       0.05701894      -0.16574383      -1.05995027 
Hf       0.22253207      -0.11874807      -8.92817763      -0.59479159      -0.38445814      -0.51074446 
Hf       5.38927260       0.84976796      -3.71209656       0.45406378      -1.35762380       0.44994112 
Hf       5.41403621      -0.13404116      -8.93721034      -0.53469708      -0.93098204       0.33056224 
Hf       0.23061031       5.88550407      -3.73003355      -0.24720461       0.70469006       0.53444329 
Hf       0.23497403       5.10285812      -8.98690478      -0.10617944      -0.42050622      -0.81403717 
Hf       5.35872160       5.85819063      -3.65942815       0.86455136       1.43377635      -0.45744048 
Hf       5.39941883       5.06444586      -8.99335791      -0.46832811       0.01861575      -0.01964451 
Hf       2.38887969       1.23259183      -1.11934945       0.50892898       0.02218211       0.01359828 
Hf       2.43078406       0.43359936      -6.29591125      -0.52314956      -1.34206172      -0.23691151 
Hf       7.52403924       1.22043076      -1.00768454       0.76301557      -0.60857057      -0.43585457 
Hf       7.54272078       0.34392663      -6.35962502       0.64123877      -0.52305653       1.28756724 
Hf       2.38526584       6.26004612      -1.11839809       0.03968090       1.26015487      -0.52849653 
Hf       2.41609384       5.49989707      -6.31709051       0.11789088      -0.56464321      -1.30807741 
Hf       7.59634696       6.29793666      -1.10521513       0.64183493       1.78285227      -0.22888422 
Hf       7.56095013       5.50459034      -6.30987524      -0.57814437       0.11840649      -0.71608096 
Hf       4.98087260       3.48878178      -1.50443078       0.03124935      -1.88957360       0.12658619 
Hf       5.03987576       2.56162986      -6.78121909      -0.86972160       0.17258831      -0.99354985 
Hf      10.15813363       3.37239067      -1.52761083       0.41364144       0.56050045      -0.19854445 
Hf      10.19645802       2.61023261      -6.91840189      -0.72852314      -1.08364854       1.01992653 
Hf       4.97664199       8.57115929      -1.53083891      -0.02388297       0.62324938      -0.14105183 
Hf       4.95899542       7.70869354      -6.69310564      -0.59382836      -0.22864439      -1.44540864 
Hf      10.20889759       8.64993039      -1.51543067      -1.49074848      -0.39825202       0.08703963 
Hf      10.20795415       7.75210903      -6.78935516      -0.68911635       0.29802068      -0.32177707 
O       1.35105245       1.46642827      -7.94207809       0.18961895       0.44188182      -0.73953101 
O       6.54163643       2.37885950      -2.69174516      -0.22883293       0.16724133      -0.03749012 
O       6.57674752       1.44576905      -7.90507077      -0.65199731       0.28941940      -0.42812758 
O       1.43654806       7.32712361      -2.81210119      -0.51011093       1.28471725       0.32403722 
O       1.30690034       6.73462763      -8.03645514      -0.34955375      -0.89204458       0.20370186 
O       6.63759807       7.45774831      -2.77263495      -0.87829076      -0.54882118       0.78900331 
O       6.50293840       6.60039849      -7.94878261       0.22411410      -0.01985643       0.31583435 
O       3.90549702       1.47545020      -5.25500999       0.51288740      -0.31762115       1.32418943 
O       3.96209638       0.45604224     -10.41560849       0.23771008       0.72160726      -0.00120510 
O       9.08504713       1.35235994      -5.13321896      -0.08977771       1.08774795      -0.14160271 
O       9.12150262       0.52651432     -10.38670668       0.57509303       0.15367759       0.26296677 
O       3.92753213       6.45186336      -5.11663517       0.32976857       0.76391909      -0.10810343 
O       3.94442280       5.61096571     -10.42334375       0.00326330       0.65333836       0.19505833 
O       9.13893193       6.55198714      -5.19379935       0.13578488       0.03922556       0.38845092 
O       9.12847014       5.65932271     -10.39099785       0.50634225       0.27695347       0.03239030 
O       3.83586334       1.84315036      -2.58177694      -0.45430532       0.58683120       0.17059445 
O       3.90357128       0.96962296      -7.80033017      -0.26233437       0.41194003       0.09333069 
O       9.03361974       1.87662700      -2.46377000       0.34072270       0.01370713      -0.58192092 
O       9.02429653       0.97619151      -7.83219745       0.40255134       0.70759629       0.26408260 
O       3.90663538       6.97443014      -2.46507092       0.34208275      -0.15693001      -0.70507578 
O       3.78670924       6.14728421      -7.79131993       0.24255342      -0.33289351       0.39805944 
O       9.14834907       6.97372638      -2.43262705       0.12421882       0.16838855      -0.66106647 
O       9.06941098       6.13316113      -7.80299427      -0.26756460      -0.17403236       0.70772756 
O       1.30743015       2.81572972      -0.20389122      -0.43092879      -0.01841722       0.33768430 
O       1.21922153       1.84363526      -5.35173529      -0.26313616       1.25373164       0.32640276 
O       6.51365931       1.06262076     -10.48889606      -1.01529462      -0.41469940      -0.71403174 
O       6.37418924       1.96876366      -5.29875102       0.60619021      -0.32777924      -0.44867708 
O       1.34883848       7.87703936      -0.16074296      -0.99810380       0.57755832       0.09148463 
O       1.32975058       7.05739780      -5.44938895      -0.65766812       0.35892806       0.30259343 
O       6.47709804       8.00979157      -0.11302893      -0.11565457      -0.39522724      -0.14514983 
O       6.49901066       7.15640861      -5.33849216      -0.42834644      -1.20835994      -0.15955401 
O       3.43529804       4.58751825      -0.84977465       0.86900285      -0.67760905       0.09949913 
O       3.48691287       3.71166406      -6.03766375      -0.62152217       0.98895737      -0.37321940 
O       8.64639776       4.57183469      -0.81601569       0.05733348       0.51839526      -0.54455663 
O       8.63393034       3.72828721      -6.11109822       0.03936097       0.32927193      -0.15121912 
O       3.49119211       9.83518560      -0.82984233       0.09010827      -0.91930524       0.18210104 
O       3.46343984       8.94476820      -6.03982613       0.09946617      -0.72310762       0.16719032 
O       8.69837677       9.84187589      -0.73800022       0.33374409      -0.71129585      -0.52548450 
O       8.66809675       8.95484898      -5.96485951       0.61718410      -0.56925470      -1.58935294 
O       0.85531932       0.07089716      -1.76577344       0.22185899       0.09845140      -0.22177849 
O       0.77109039      -0.78113615      -6.99760622       0.75134566       0.12430867       0.06874976 
O       6.04830200       0.05106532      -1.81019238       0.13028443       0.13597798       0.10015527 
O       6.02596546      -0.95330182      -7.05365079       0.93660274       1.49387484       0.03501853 
O       0.98579462       5.06742544      -1.88965629      -1.38184154      -0.88598703      -0.37685184 
O       0.87149140       4.28629780      -7.15367348       0.90652114       0.68306631       0.56235524 
O       6.07963009       5.12722030      -1.79290306      -0.08520068       0.30352071      -0.17433225 
O       5.96725396       4.32390896      -7.09728912       1.00666874       0.23379105       0.47188828 
O       1.84860700      -0.35815766      -4.33007520      -0.74278773      -0.04596549      -0.12218838 
O       1.72857208      -1.24807482      -9.68481503      -0.00321378      -0.29095899      -0.09010513 
O       6.94928136      -0.37456993      -4.43722170      -0.72241668       0.32246980       0.13533174 
O       6.94729370      -1.39657565      -9.58675804      -0.96958070       1.40776814      -0.45466436 
O       1.78645038       4.82011267      -4.42023858       0.06687415      -0.99168535      -0.48396897 
O       1.65249527       3.71559337      -9.83854475      -0.61793622       0.69082460       1.35439647 
O       6.75991273       4.63393388      -4.51684291       0.55150498       0.74505564      -0.14295964 
O       6.98540323       3.94546930      -9.70452263      -0.27319399      -0.73100737       0.32822270 
O       4.29385788       4.15597623      -3.41674692       0.56779683       0.54229075       0.59009322 
O       4.32050192       3.35143667      -8.79127174      -0.34438706      -0.94911676       0.41100620 
O       9.47994930       4.24342128      -3.49390102      -0.12469881      -0.65348347       0.45986371 
O       9.49196713       3.40976606      -8.75662317       0.24991415      -0.72408357       0.56628635 
O       4.35906031       9.30217857      -3.43626961      -0.00564588      -0.08685760      -0.21524237 
O       4.19051403       8.45587126      -8.61114250       0.88416228       0.34884957      -0.27984971 
O       9.52717974       9.36138991      -3.43301842       0.51103879      -0.43642958       0.84482517 
O       9.56650254       8.44355289      -8.75715481      -0.20032783      -0.31270171       0.97618160 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0035854541849023097 -0.0024007925718447735 0.0019450940673718762 -0.0024007925718447735 -0.001483846661557777 -0.0003393162669722062 0.0019450940673718762 -0.0003393162669722062 -0.002190192376073898" pbc="T T T" energy=-962.17156169 free_energy=-962.17156169 config_type=crystal 
Hf       2.91179279       3.00508995      -4.19430547      -0.92687749       0.19690627       0.95639673 
Hf       2.80294063       2.09027389      -9.36907945       0.51396531       1.05028406      -0.99623698 
Hf       8.07052366       2.97233519      -4.17705585      -0.28742390      -0.21400483      -0.53911283 
Hf       7.93851143       2.12724450      -9.44720432       1.07105822      -0.58425656       0.14117437 
Hf       2.87293402       8.21581282      -4.10018779      -0.65309036      -1.02991771       0.17592859 
Hf       2.76172825       7.27668540      -9.40309599       1.44504677      -0.19738411      -0.37545998 
Hf       8.01897792       8.13971824      -4.23215693       1.08959009       0.31061723       1.50166685 
Hf       7.94976755       7.31852224      -9.47553816       1.29909483      -0.12369589      -0.60014371 
Hf       0.23204022       0.79504654      -3.67073098      -0.47062106      -0.80143825       0.12708111 
Hf       0.20227255      -0.13416719      -8.98110845      -1.09630582       0.11296305       0.25002636 
Hf       5.54343819       0.76476900      -3.69854797      -1.50539558       0.61335370       0.35621983 
Hf       5.36391259      -0.12767628      -8.92614881       0.41170682       0.85109179      -1.01346256 
Hf       0.21064453       5.88797878      -3.73647902       0.15605841       0.42522803       0.15226493 
Hf       0.18054696       5.01989315      -8.91074729      -0.38264907      -0.01811777      -0.18860809 
Hf       5.44996803       5.87698345      -3.75799430       0.16427704       1.34612486       0.69775400 
Hf       5.42924646       4.98891539      -8.97186983      -0.54576914       0.47364363      -0.03496860 
Hf       2.26472823       1.23883366      -1.11395550       2.30108528       0.37898674      -0.32507149 
Hf       2.36743038       0.34431714      -6.30428273       0.00461881      -0.48761090       0.35257026 
Hf       7.54539254       1.31016331      -1.14960982       0.57075285      -0.70240776       0.57860461 
Hf       7.60037372       0.29602682      -6.36913309       1.26283602       1.22701297       0.59698743 
Hf       2.37573846       6.44597964      -1.02525412      -0.02838005      -0.91973046      -0.67071645 
Hf       2.41923909       5.49625484      -6.35799680      -0.23163953      -0.20204394       0.83224849 
Hf       7.54716554       6.39523675      -1.11207264       0.98366712       0.03833192      -0.74381122 
Hf       7.53645917       5.47941631      -6.34353833       1.21045057      -0.53746472      -0.39381560 
Hf       4.92006974       3.56390749      -1.55457916      -0.22194517      -1.05995048       1.13956531 
Hf       5.00422666       2.51674230      -6.75376668       0.22191152      -0.05942971      -0.69386077 
Hf      10.15254666       3.53094844      -1.54100915      -0.46201588      -0.10178443      -0.48248909 
Hf      10.21338288       2.54450409      -6.75139964      -1.32309649       0.01333308      -0.40202382 
Hf       4.99700457       8.57627138      -1.53865146      -0.76345072       0.74355396       0.07612691 
Hf       4.96906746       7.75317602      -6.76777929      -0.57162687      -0.56681275       0.15749331 
Hf      10.19734972       8.53636329      -1.52289165      -1.25503659       0.48120376      -0.86235813 
Hf      10.24324510       7.70120629      -6.77700069      -1.13858439      -0.61668042       0.27199976 
O       1.34624008       1.50875721      -7.99960281      -0.20084025      -0.67377952       0.07866666 
O       6.62687726       2.41892944      -2.76039021      -1.13419668      -0.53361003       0.27680614 
O       6.57363199       1.42309553      -7.99441636      -0.59267041       0.07715541       0.13264883 
O       1.38855601       7.48496622      -2.72355773      -0.27499942       0.38402220       0.30507695 
O       1.37168009       6.68710396      -7.88194638       0.00267399      -0.60319507      -0.87521034 
O       6.54611298       7.50167475      -2.79321788       0.03652832      -0.15060554       0.27040127 
O       6.58825311       6.55173958      -8.11441201      -0.85888816       0.31772626       1.40570197 
O       3.95176241       1.41634543      -5.18774661       0.29070124      -0.12686197       0.79701829 
O       3.96692933       0.55467807     -10.32258843      -1.01611447       0.48333419      -0.19834832 
O       9.13643815       1.38585317      -5.10572717       0.02859655       0.19769692      -0.46606621 
O       9.07038694       0.40785750     -10.39203541       0.38177708       1.02847324       0.23683090 
O       3.96513887       6.59077698      -5.14218908      -0.11845285      -0.39196201      -0.04963890 
O       3.94707711       5.64745282     -10.34812491      -0.84105740       0.41038052      -0.11685620 
O       9.05567252       6.53806595      -5.18892299       0.54077841       0.04595581      -0.10109902 
O       9.15310720       7.43424733      -0.01238649      -0.83751936      -0.06471515       0.92385871 
O       3.84496191       1.96157714      -2.46311151      -0.41644392      -0.02946434      -0.69911468 
O       3.84183412       0.92479552      -7.74371616       0.09628003       0.58262201       0.22160039 
O       9.08310144       1.88469475      -2.55674575       0.25340989      -0.13716528       0.59817036 
O       9.07529604       0.95345944      -7.76616567       0.26747343       0.36830068      -0.12979662 
O       3.89346755       7.08395578      -2.45568854      -0.16071092      -0.44767527      -0.39843699 
O       3.87778714       6.16826199      -7.81731938      -0.12586798      -0.17029446       0.80558778 
O       9.07552255       6.97024683      -2.65499490      -0.52646929       0.15417175       0.96510336 
O       9.06206650       6.05762278      -7.78632260       0.11307150       0.57462711       0.15830948 
O       1.21357659       2.91346321      -0.26007261       0.86742663      -1.10631846       1.34012816 
O       1.18654353       1.84260739      -5.28906738       1.18729603       0.58539993      -0.31373375 
O       6.38254709       2.86776409      -0.13117079       0.72438964      -0.21166107       0.01175736 
O       6.51096116       1.90174593      -5.35850964      -0.64246822       0.04730345      -0.46675956 
O       1.18066065       7.88807296      -0.02215781       1.07558192       1.11724234       0.06756747 
O       1.23653228       6.98105216      -5.34429689       0.12653917       0.20814013      -0.00237522 
O       6.37451082       7.88027699      -0.19201559       1.09321863       0.17855847       0.82233415 
O       6.44275698       7.11759679      -5.32646227       0.13582126      -0.53764806      -1.10977007 
O       3.37804990       4.68163994      -0.89459566       0.36877637      -0.44243987       0.98546589 
O       3.49650602       3.70313812      -6.09666307      -0.31061215       0.65829484       0.28471555 
O       8.59486657       4.60949459      -0.88966164      -0.11728103       0.00300217       0.76457392 
O       8.68610479       3.72822630      -6.07157318      -0.05678475       0.28816742      -0.07877416 
O       3.55341065       9.82970777      -0.73057043      -0.49475585      -0.16253515      -0.03944344 
O       3.48451229       8.87892703      -5.95951818       0.16396752       0.61274501      -0.83997704 
O       8.65432098       9.78973989      -0.82746993      -0.12133891       0.07918063       0.21352193 
O       8.78722875       8.92855747      -6.03683252      -0.71153726       0.13799196       0.26472201 
O       0.87709073       0.00971436      -1.71364496      -0.15575251      -0.02369859      -0.82208747 
O       0.90006117      -0.85109495      -7.02000471       0.00397080       0.11744764      -1.11508232 
O       6.14212668      -0.01489129      -1.86748988       0.10106704       0.64299116      -0.09917567 
O       6.11286823      -0.85514225      -6.94612385      -0.82022423      -0.64317773      -0.96199485 
O       0.83971445       5.24838828      -1.81937042      -0.31407290      -0.41922425       0.16904444 
O       0.90495022       4.24092061      -7.00167216       0.35110362       0.69838230      -0.26963296 
O       6.09533585       5.17327117      -1.78239397      -0.30753026       0.46013604      -0.77805915 
O       6.09801935       4.22308748      -7.06262732      -0.15022460       0.42877154      -0.10183302 
O       1.63249551      -0.50343406      -4.45831024       0.40339475       0.52908034       0.11493041 
O       1.66091463      -1.32466565      -9.77289183      -0.51238566       0.47001124       1.04489802 
O       6.98148089      -0.32961667      -4.39565535       0.71508842      -1.30683344      -0.65918786 
O       6.81358858      -1.28895272      -9.78437286       0.09175296      -0.44944679       0.56314345 
O       1.77360611       4.74009599      -4.33619190       0.53216839      -0.84492199      -0.97710144 
O       1.67477965       3.84533615      -9.65252657       0.76373033      -0.62918809      -0.03116630 
O       6.88768957       4.67599385      -4.46709786      -0.07310677       0.46806585      -0.24671526 
O       6.88676971       3.80888756      -9.69244895       0.28997730       0.21950558      -0.40307808 
O       4.28810072       4.30622313      -3.39924024      -0.18423316      -0.90809900      -0.59139618 
O       4.31444833       3.32874681      -8.67829584      -0.56046423      -1.12837531       0.09650351 
O       9.47944558       4.15795092      -3.44939797       1.11471908       1.01321367      -0.05110997 
O       9.48440529       3.35785966      -8.70656047      -0.36191438      -1.04860035       0.09421730 
O       4.28106847       9.42297899      -3.38125106       0.41690854       0.35787843      -0.23687902 
O       4.24849261       8.53942539      -8.58825374      -0.38667919      -0.74129017       0.06445388 
O       9.53417916       9.35275183      -3.32017178      -0.56082684      -0.30013913      -0.90109382 
O       9.43411449       8.45654411      -8.63881227       0.51237453       0.23821551      -0.13338029 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004117434048379793 -0.0005687744523103704 0.0010221452483698606 -0.0005687744523103704 -0.00219163571257624 0.001686003406198249 0.0010221452483698606 0.001686003406198249 0.002540018052421702" pbc="T T T" energy=-961.75757139 free_energy=-961.75757139 config_type=crystal 
Hf       2.84383850       2.92907650      -4.17343945      -0.30647462       0.86366511       0.15634894 
Hf       2.89241842       2.08699309      -9.43203949      -0.98420473       0.68180853       0.18322470 
Hf       8.05651058       2.99690247      -4.13985721      -0.58970473       0.08847074      -0.23767210 
Hf       7.97784732       2.14637087      -9.43756783       0.54628211      -0.58671148       0.55878025 
Hf       2.85274339       8.15682278      -4.14037678       0.65047809      -1.17603655      -0.65362498 
Hf       2.76549671       7.28315300      -9.42373636       0.21323197      -0.43748830       0.05667579 
Hf       7.99423655       8.17932741      -4.12686736      -0.14493552       0.40929761      -0.81165724 
Hf       7.98671824       7.27942008      -9.34278262       0.57823954       0.29613666      -0.87304091 
Hf       0.22534898       0.78650274      -3.71883888       0.48377853       0.11466493      -0.07496047 
Hf       0.18758992      -0.14511335      -8.91866368      -0.26673645       1.39782277      -1.09176129 
Hf       5.46794386       0.81996939      -3.75390863      -0.26374583       0.04908535       0.47412414 
Hf       5.39639816      -0.09670905      -8.92453036       0.33365344      -0.87879844       0.66668144 
Hf       0.25151735       5.93563218      -3.71989849       0.28937756       0.12265433      -0.23660653 
Hf       0.20509237       5.05313250      -8.95509031       0.30373453      -0.68374332      -0.29677336 
Hf       5.47343773       5.85040413      -3.71805953      -1.28213310       0.62595183      -0.13027697 
Hf       5.35997176       5.07019977      -9.03457071       0.02512935      -0.49704670       1.17314603 
Hf       2.35572914       1.30634123      -1.07172320      -0.26439649      -0.58529416       0.05605860 
Hf       2.33182263       0.24988914      -6.35936744       1.03319589       0.76016547      -0.29664829 
Hf       7.65639601       1.19935754      -1.06383159      -0.85542213       0.49743682       0.52039246 
Hf       7.63476476       0.41813697      -6.33394962      -0.83305243      -1.26647565      -0.37147899 
Hf       2.37726968       6.38829776      -1.06466093       0.85691973      -0.96803633      -0.21219561 
Hf       2.28036043       5.46112753      -6.36323228       1.81602197       0.40058879       0.72392921 
Hf       7.56784815       6.47002095      -1.10235320       0.06708142      -0.86992318       1.04954280 
Hf       7.56683946       5.40609788      -6.37312415       0.39605547       0.61990615       0.49877661 
Hf       5.03544046       3.43001681      -1.51433189      -0.20408519       0.32296600       0.04299955 
Hf       4.93393133       2.61440513      -6.78613074       0.20746707      -0.54065193       0.67685730 
Hf      10.15013331       3.51451687      -1.61254082       0.01293900      -0.62179318       2.12452425 
Hf      10.20266196       2.55386843      -6.80171120       0.29460969      -0.20141572      -0.80534743 
Hf       4.97454595       8.62178489      -1.60727414      -0.37021919       0.16327256       0.98405142 
Hf       4.92629207       7.66069975      -6.80362136       0.77720171       0.35797639       0.86542546 
Hf      10.23298812       8.65732256      -1.54808991      -0.70788322      -0.08168422       0.52357584 
Hf      10.14228115       7.70746204      -6.71557112       0.34906842      -0.12615037      -0.54526739 
O       1.37389281       1.43553338      -8.04907863       0.00305122      -0.04454235       0.73453847 
O       6.56917040       2.42621944      -2.69117561      -0.04415184      -0.14586282      -0.48968834 
O       6.61075579       1.31449775      -7.94348128      -0.17967088       1.35882703      -0.17766834 
O       1.40856699       7.48445969      -2.71374221      -0.59692107       0.58336514      -0.09651226 
O       1.27549079       6.66018130      -7.93544109       0.60959757      -0.17614115      -0.51263243 
O       6.44699871       7.53882133      -2.69937352       1.34023773      -0.29769541      -0.62185997 
O       6.60628183       6.52919379      -8.01072692      -0.55769102       0.16530831       0.16482274 
O       3.94023978       1.37917744      -5.17794872       0.57529148      -0.00730691       0.18551478 
O       3.93690626       0.49493606     -10.35515883      -0.26064549      -0.52157495      -0.73572549 
O       9.15633671       1.50543701      -5.18692987       0.60178362      -0.66787418       0.37983783 
O       9.06323967       0.47513297     -10.38854082       0.49142632       0.34600406      -0.09393120 
O       3.94394568       6.54889240      -5.14109702       0.41222412       0.07921870      -0.03667499 
O       3.88739255       5.63181795     -10.43408091       0.23250335       0.27735365       0.19214448 
O       9.15634294       6.66046947      -5.17214925       0.11431250      -0.75634619       1.40432223 
O       9.15850340       5.70120147     -10.36198431      -0.97648603       0.10363283       0.00896268 
O       3.70253705       1.85962456      -2.54382898       0.86354387       0.17573129       0.18622578 
O       3.87515102       0.99765304      -7.84358418      -0.30328081      -0.25335175       1.01599419 
O       9.05552300       1.76057101      -2.53125726       0.53906138       1.24970061      -0.47745116 
O       9.10827941       0.95056355      -7.81596701      -0.38751233       0.67010845       1.02566863 
O       3.93707261       6.90196032      -2.57855379      -0.81733549       0.91464090       0.84781739 
O       3.80132683       6.14170667      -7.80454573      -0.10002750      -0.85699577       0.10679439 
O       8.99703582       7.17478567      -2.48947659       0.33086305      -0.85547805      -0.37593192 
O       9.17363364       6.07833883      -7.69699391      -1.24584843       0.27103023      -0.30249494 
O       1.22764432       2.87645538      -0.16216515       0.34649211      -0.65259889      -0.28696091 
O       1.34872772       1.88390556      -5.32906432      -0.98472964      -0.05069489      -0.22772591 
O       6.40913336       1.01268773     -10.45951690       0.17643726       0.21359118      -1.31053244 
O       6.52372314       2.00027276      -5.41191414      -0.44806257      -0.15137346       0.74442182 
O       1.21004388       7.85297903      -0.05541159       0.32750344       0.93780169      -0.65444031 
O       1.31944756       7.02296117      -5.33587048      -0.74375433       0.16056078       0.19408614 
O       6.36755493       7.89339153      -0.08286894       0.71022927       0.59246857      -0.63618249 
O       6.51829484       6.98705242      -5.39025679      -0.38503523       0.34574275       0.42946931 
O       3.52433881       4.58437056      -0.80706992      -0.25056103       0.54152425      -0.27614403 
O       3.45036012       3.78303635      -5.99253706       0.23786039      -0.41887209      -0.64642340 
O       8.60302742       4.64651029      -0.78719064       0.34918647       0.25098608      -0.36199133 
O       8.71816342       3.73819446      -6.08848595      -0.12359538       0.30613501       0.40920077 
O       3.33342722       9.66564273      -0.89342012       0.26481014       0.79441154       0.30713910 
O       3.37022757       8.79134642      -6.15410494      -0.01480807       0.38366864       0.57060020 
O       8.64025408       9.74167169      -0.85321275       0.05568740      -0.10561491       0.73115713 
O       8.66829686       8.91308026      -6.03890638      -0.55081854       0.61137799       0.38259213 
O       0.89514771       0.09432685      -1.77093070      -0.43284826      -0.15072484      -0.84562152 
O       0.79714728      -0.82649736      -7.02966021       0.16055243      -0.10549746       0.16973800 
O       6.07619527       0.18019005      -1.78516991      -1.43184665      -1.49270936      -0.62915633 
O       5.98704508      -0.82811327      -6.93214663       0.25281245      -0.40663035      -0.26042388 
O       0.80132927       5.24541330      -1.83731739       0.43119223      -0.26307895       0.48064810 
O       0.89296762       4.28005291      -7.11953062      -0.05832398      -0.62528137       0.45875926 
O       6.11877698       5.17126258      -1.66994058      -0.42532194       0.00167498      -1.11142081 
O       6.00806548       4.31377463      -6.93208551       0.00388670       0.18619144      -0.67155796 
O       1.71215281      -0.48421932      -4.47397071      -0.31978211       0.47252234       0.44021978 
O       1.53567365      -1.41254830      -9.67584595       1.28627634       0.32700995      -0.54991038 
O       6.97655589      -0.28466033      -4.37091187       0.38207097      -0.67468137      -0.28308805 
O       6.75958700      -1.39534620      -9.72461287       1.28384244      -0.53148662       0.18856525 
O       1.68452252       4.65755072      -4.39093964      -0.47836806       0.40583488      -0.32194971 
O       1.80713954       3.81744800      -9.73307383      -0.55886835       0.12897343       0.59084667 
O       6.98243306       4.70318475      -4.38308321       0.47128801       0.00239806      -0.33157529 
O       6.87331127       3.81432675      -9.56589212       0.28713390       0.61553267      -0.46322108 
O       4.36692670       4.16173964      -3.46662396       0.32433695      -0.34652048       0.52740525 
O       4.37578016       3.31080150      -8.60878743      -0.62572812       0.05380141      -0.98215295 
O       9.47804341       4.27162261      -3.34849270      -0.45873991      -0.31976031      -1.23738422 
O       9.58228810       3.27721760      -8.68870433      -0.43471968       0.02126425      -0.13935632 
O       4.43125561       9.29012113      -3.47700883      -0.31295412       0.67805708      -0.43596730 
O       4.32210286       8.37253723      -8.64254849      -0.35160664       0.68394467      -1.01277939 
O       9.44271350       9.45688671      -3.40242843       0.51740442      -0.79152880       0.01575062 
O       9.47290863       8.50837631      -8.62160465      -1.28151334      -1.40499936      -0.01610396 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005070542925500664 -0.0009439901446351202 -8.347489175894984e-05 -0.0009439901446351202 -0.006201406456074034 0.002670982795806379 -8.347489175894984e-05 0.002670982795806379 -0.002207821013037716" pbc="T T T" energy=-961.05045386 free_energy=-961.05045386 config_type=crystal 
Hf       2.83386309       3.03834530      -4.10094278      -0.78388774       0.67645967      -0.85964861 
Hf       2.82832516       2.05711624      -9.46034392       0.56828326      -0.32348613      -0.04886554 
Hf       8.05698490       3.11526646      -4.15863919      -0.06167870      -0.84470668      -1.34151220 
Hf       7.97687312       2.07445618      -9.44620498       0.70383662      -0.17976356       1.38915833 
Hf       2.85720675       8.18799157      -4.18445708      -1.51379445      -0.41475934       0.08964926 
Hf       2.73000325       7.23647143      -9.36311291       1.28724111       0.07829777      -0.14668985 
Hf       7.94643943       8.14332993      -4.10839347       2.12751511      -0.13210278      -1.00600525 
Hf       7.95307550       7.24371192      -9.38402840       0.54235190      -0.26874884       0.10818764 
Hf       0.17916640       0.82022505      -3.67522995       0.69400801      -1.13658586      -1.83703673 
Hf       0.21182009      -0.16562099      -8.99509261      -0.11218917       1.00581565       0.34044515 
Hf       5.47376544       0.71681949      -3.77038520      -0.75947434       1.01040478       0.09065501 
Hf       5.42337532      -0.12634598      -8.97373652      -0.42568526       0.77733823       0.93037508 
Hf       0.25533454       5.98779477      -3.66969604       0.52207131       0.12281099      -1.23532566 
Hf       0.21395218       4.93225890      -9.00044266       0.23408696       0.53595554       0.58920032 
Hf       5.39922910       6.01764304      -3.68433742      -0.53615667      -0.58936788      -0.45709748 
Hf       5.46541809       4.99132184      -8.95807531      -0.54558080      -0.26853893       0.00569564 
Hf       2.36745054       1.12433264      -1.10129054       0.94120738       1.76887800      -0.48042315 
Hf       2.37114127       0.38515916      -6.35919019       0.02470962      -0.81078509       0.82738409 
Hf       7.54563733       1.26121375      -1.10658031       0.23320167      -0.42664208       0.98548110 
Hf       7.62599369       0.30930844      -6.31786703       0.05045214       0.93745256      -0.78540473 
Hf       2.38821637       6.38205259      -0.99566274       0.33811908       0.44418783      -2.13645337 
Hf       2.36848905       5.43290719      -6.36794285      -1.03749611       1.26106510       1.43787334 
Hf       7.61316604       6.37965816      -1.06170596       1.22208522      -0.11522488      -0.55059037 
Hf       7.58945508       5.52532602      -6.30478708       0.27459291      -0.58117877      -0.21152262 
Hf       4.98661095       3.51197429      -1.54781500      -0.69402117      -0.08250776       0.12877706 
Hf       4.95998634       2.61481401      -6.77800340       0.11752916      -0.61640617      -0.21084579 
Hf      10.17781835       3.43723938      -1.63068992       1.67587151       1.23090983       1.29148132 
Hf      10.23061497       2.51012533      -6.87106956      -1.68277285      -0.17852646       0.92938696 
Hf       4.99784588       8.57887305      -1.50050440      -0.86204187       0.74748501      -0.00106158 
Hf       4.96061911       7.74866957      -6.78051976      -1.46816654       0.16454767      -0.41711523 
Hf      10.14733645       8.64257450      -1.53880340      -0.20385836      -1.09669731      -0.15149832 
Hf      10.12775396       7.74090767      -6.82265829       0.87232172      -0.73268135       1.37199718 
O       1.33956099       1.40926057      -8.01639104       0.22187763       0.32772554      -0.45830862 
O       6.56668421       2.36607685      -2.64601196       0.04885572       0.31958631      -1.03953771 
O       6.55588422       1.50858865      -7.97993070       0.21470320      -0.27636093      -0.23740526 
O       1.32139075       7.57693952      -2.81757189      -0.31687948       0.27583355       0.94566043 
O       1.28558403       6.56633416      -8.00907287      -0.23325911      -0.06800574      -0.51011850 
O       6.64444486       7.63329075      -2.66074733      -1.98725178      -0.78136372       0.11055892 
O       6.45707584       6.54189199      -7.95722067       0.91542491       1.07225134      -0.49105960 
O       3.92719736       1.45133267      -5.09341828      -0.18806553       0.24600925      -0.34294450 
O       3.97001130       0.56531415     -10.44507387      -0.09971620      -0.28757411       0.26235773 
O       9.10235539       1.33798941      -5.13953905      -0.16397972       1.34141079       0.45263895 
O       9.04165788       0.61367565     -10.37241990       0.91295245      -1.56358428      -1.08435977 
O       3.89168385       6.60066563      -5.12524523       0.70306560      -0.16623623       0.38903839 
O       3.97983605       5.68819508     -10.31650176      -0.39754707       0.18589518       0.03317953 
O       9.06745397       6.58580594      -5.11597647      -0.47192183       0.19899768      -0.44962899 
O       9.25685803       5.63207770     -10.40965392      -1.41398421       0.45975680       0.04278965 
O       3.69979858       2.03136727      -2.52700652       0.73391727      -0.45240126       0.70055344 
O       3.86501809       0.97386629      -7.75798950       0.03803031       0.52517221      -0.18655208 
O       9.12597606       1.95152938      -2.52912827      -1.09516656      -1.09143436       0.13847829 
O       9.10860691       0.79705408      -7.76808885      -0.31344896       1.23729961      -0.06607689 
O       3.84089224       7.12479743      -2.49407280       0.96502071      -0.66201737       0.18035663 
O       3.77131478       6.22894305      -7.68209988       0.50887565      -0.31683693      -1.07010701 
O       9.02371872       6.97205363      -2.56808124       0.43897911       0.12411016       0.81185842 
O       9.04983566       6.03320889      -7.76341210      -0.37550477       0.91921131      -0.40971416 
O       1.25673101       2.77416087      -0.21859698      -0.20769580      -0.01107526       0.13624118 
O       1.15946808       1.94802508      -5.41416368       1.41263518      -0.30555716       1.13966081 
O       6.39644972       1.07535436     -10.49507209       0.58679632      -0.40365651      -1.60287928 
O       6.41661022       1.89492933      -5.48386888       0.40984168       0.22762034       1.61346644 
O       1.26596653       7.92867846      -0.14177648       0.31366965       0.31124533       0.68006269 
O       1.16497982       6.96741490      -5.38799707       0.18454306       0.69519370      -0.52892602 
O       6.41268227       7.87695236      -0.10397627       0.81617972       0.39220898       0.51948916 
O       6.34082766       7.19233615      -5.42506550       1.58451300      -0.97640720       1.82472215 
O       3.49132116       4.70269154      -0.80773219       1.00779235      -0.72949777      -0.24851162 
O       3.48253668       3.83536093      -6.01221978       0.48239995      -1.40183497      -0.34569126 
O       8.82149501       4.69027460      -0.93158649      -1.32510981       0.33703920       0.70663965 
O       8.69981562       3.79349320      -6.14944909      -0.75055122      -0.53359344       0.94952997 
O       3.39195004       9.70283782      -0.86912512       0.60861170      -0.27991774       0.12664055 
O       3.47947622       8.91992459      -5.99030947       0.27968677       0.47706538      -1.14620606 
O       8.52766443       9.70952970      -0.73275140       0.77445691       0.58754325      -0.82848281 
O       8.81666799       8.99013399      -5.96682228      -0.61617277      -0.71773065       0.08440507 
O       0.85137901       0.05738916      -1.76674506      -0.98486557      -0.28418307      -0.43069841 
O       0.95000566      -0.88883970      -7.07172859      -0.41719685      -0.35510303      -0.89875337 
O       6.03420123       0.08335641      -1.82684925      -0.17109272      -0.25193058       0.25258156 
O       6.07344776      -0.83776113      -6.98682979      -0.03402348      -0.03077346      -0.87242449 
O       1.03100445       5.18647933      -1.87580623      -1.06841126      -0.66055802       0.12105584 
O       0.82487170       4.24292080      -7.00719567       0.69212497       0.41130425      -0.85200819 
O       6.16552801       5.22063832      -1.79804867      -0.95979475      -0.19437068      -0.24130890 
O       6.01557506       4.34315140      -7.00439632       0.04717101      -0.36491442      -0.10510297 
O       1.68268282      -0.43324167      -4.51907282      -0.82643676       0.94829957       0.86200684 
O       1.78972831      -1.26186487      -9.69290993      -0.69260997      -0.49128319       0.42410934 
O       6.99922055      -0.36828762      -4.40038030      -0.65273362       0.11325328      -0.04042388 
O       6.89487653      -1.33106643      -9.68541671      -0.20715197       0.22340982      -0.15991988 
O       1.86335748       4.88140365      -4.33351982      -0.11943883      -1.28085275      -0.36464915 
O       1.78446199       3.76793205      -9.75754901      -1.23258003       0.61268170       1.41884132 
O       6.97348099       4.82489811      -4.35559719      -0.21708478       0.18902200      -0.41647898 
O       7.06343060       3.81762300      -9.66136155      -0.99608848       1.28071928      -0.05967037 
O       4.36668782       4.26896685      -3.46271292       0.61193562       0.17049302       0.54588470 
O       4.33760601       3.31582925      -8.78880578       0.01733310      -0.41333396       0.95653049 
O       9.61352184       4.17394595      -3.54568465       0.02414927       0.05131566       0.28456190 
O       9.62243017       3.19189123      -8.74931077      -0.44809049      -0.12845693      -0.34208320 
O       4.30379412       9.38362753      -3.49091822       0.95298721       0.24403072       0.72924982 
O       4.24954223       8.55005942      -8.72998833       0.06281686      -0.94512565       0.35432278 
O       9.36314774       9.34855169      -3.28752830       0.75686116       0.98620531      -0.20243416 
O       9.41057684       8.52190888      -8.64364926      -0.01701204      -1.03012323      -0.38842258 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005885403605060519 0.00042409060972361937 0.001263332490140403 0.00042409060972361937 -0.003864685659255377 0.0025977214658904606 0.001263332490140403 0.0025977214658904606 0.0009776019944779362" pbc="T T T" energy=-961.55747483 free_energy=-961.55747483 config_type=crystal 
Hf       2.81379735       3.00706329      -4.10986334      -0.13255225      -0.90454112      -0.56420052 
Hf       2.87790121       2.08012159      -9.46030317      -1.14884174       0.91385781       0.02121022 
Hf       8.00140658       2.98373433      -4.16066349       0.67988930       0.16112569      -0.15247186 
Hf       8.04381883       2.08624665      -9.42377248      -0.23002851      -0.40297321       0.43732514 
Hf       2.79640555       8.16900017      -4.21939841       0.47470911       0.37426670       0.79101681 
Hf       2.79296979       7.21619667      -9.38354841       0.23305035       0.93702978      -1.69251356 
Hf       7.99731021       8.11484508      -4.19253686      -0.26434520       0.31698725       1.50817472 
Hf       7.98024976       7.29679493      -9.32892574       1.01177326      -0.01876088      -0.89172012 
Hf       0.19364808       0.74278742      -3.76014892       0.55376209       0.07837623       1.09807425 
Hf       0.21593423      -0.10358416      -8.98770954       0.31557999       0.08253842      -0.08421775 
Hf       5.45226803       0.74249921      -3.68323318      -0.92973109       0.38928236      -0.57707929 
Hf       5.36991403      -0.03815127      -8.89851684       0.82709290      -1.29363913      -0.64690670 
Hf       0.29606948       5.87016358      -3.77000057      -0.81793514       1.13684769       0.94707751 
Hf       0.20337143       4.96748407      -8.97274390      -0.19972562       0.26293888       0.01248293 
Hf       5.31754112       5.97824671      -3.74272624       1.80956074      -0.40241769       1.01146383 
Hf       5.38480561       5.02618096      -8.93246586       1.05369530       0.60606397      -0.91968237 
Hf       2.40206165       1.23174628      -1.13016851      -0.86768163      -0.80525241      -0.12095111 
Hf       2.42088949       0.36894195      -6.31806318      -0.27978543       0.11318289      -0.23031734 
Hf       7.48410112       1.25351214      -1.12004248       1.32935354      -0.57300833       1.14784295 
Hf       7.59980724       0.32586431      -6.32255963      -0.40093672       0.52124314      -1.11483420 
Hf       2.36188944       6.39111061      -1.14963198      -0.04731343      -0.00700456       0.85400601 
Hf       2.38397890       5.47136177      -6.40862694       0.03364633      -0.43159630       0.21839563 
Hf       7.58532442       6.35126741      -0.96362661       0.46306803       0.60919857      -1.64950408 
Hf       7.58130119       5.49640014      -6.27549023       1.15235001      -0.23089601      -0.58006069 
Hf       4.96356383       3.50369047      -1.55434899       0.83068616      -0.06398008      -0.59354897 
Hf       5.01887511       2.62297479      -6.77430572      -0.06478165      -0.54482120       0.27007854 
Hf      10.17425853       3.46382584      -1.60318196       0.38325204      -0.34207250       1.44124264 
Hf      10.22107481       2.54628080      -6.72148158      -0.30097300      -0.41096398      -1.34914912 
Hf       4.94861115       8.55667399      -1.55839182       0.37342697       0.48116655       1.21696866 
Hf       4.99476599       7.75420345      -6.78883359      -0.28852254      -0.29907267      -1.05469936 
Hf      10.12268256       8.62723646      -1.54079935      -0.68210398       0.12208793       0.58675519 
Hf      10.21621880       7.77809126      -6.74871600      -1.39556782      -0.16578881      -1.42402482 
O       1.43457141       1.43008423      -7.98233376      -0.31134118       0.59945648      -0.26246283 
O       6.52969445       2.33986615      -2.75399011       0.02063751       0.10510629       0.09117949 
O       6.48720853       1.52449741      -7.93454171       0.41568421      -0.24484377      -0.34615616 
O       1.37378340       7.45157097      -2.84319751      -0.44519263       0.16121058       0.34531670 
O       1.41038841       6.53975625      -8.03964543      -0.57336818       0.17376166       0.55625630 
O       6.45457417       7.60631238      -2.75203857       0.19661066      -0.82569398      -0.36496233 
O       6.54464660       6.63182711      -8.00447235       0.11372699      -0.20685397       0.96433940 
O       3.97631571       1.45562005      -5.00744862      -0.22766702      -0.16735839      -1.52024051 
O       3.97941545       2.38210926      -0.00348808       0.03436053      -0.22948509       1.16835358 
O       9.11388539       1.33703585      -5.15051458       0.24163332       0.29475817      -0.10121842 
O       9.18969309       0.48969695     -10.38755261      -0.40749768       0.41546598      -0.66566579 
O       3.94620121       6.63200908      -5.15347574      -0.93731388      -0.59380645      -0.27882831 
O       3.93622320       5.57643588     -10.31675903       0.00570105       1.09789515      -0.99585587 
O       9.19360940       6.61446339      -5.10572402      -0.94008443      -0.30692291      -0.10042525 
O       9.12716938       5.63670592     -10.34822666       0.49714319       0.65405033       0.04899032 
O       3.76193504       1.94679243      -2.55286379       0.41088574       0.19307415       0.64575168 
O       3.86491492       1.02099780      -7.76531828       0.42702860      -0.01033796       0.09495738 
O       9.08751929       1.95549708      -2.56215366      -0.66904482      -0.70415882       0.01115006 
O       9.06609450       1.01923426      -7.84392723      -0.23035179      -0.51550287       1.29826529 
O       3.83269149       7.02282610      -2.50919711       0.40697876      -0.30021742      -0.58722981 
O       3.89151345       6.17317011      -7.80856210      -0.13281488      -0.56351046       0.93873712 
O       9.01681240       7.06959503      -2.45508644       0.00928165      -0.52375826      -0.32856523 
O       9.19103707       6.14460984      -7.73975880      -1.23974821       0.03154840       0.51327282 
O       1.37545613       2.78651451      -0.21256261      -0.69837929       0.89941741       0.21820893 
O       1.27315890       1.92014340      -5.29301098      -0.08653138      -0.03023233      -0.14579207 
O       6.45645970       2.73547589      -0.06935153      -0.26733587       0.71547996      -0.22686569 
O       6.50137175       1.94217101      -5.37540981      -0.19124745       0.32288834       0.12609373 
O       1.26670829       7.93886208      -0.21609899      -0.20975966      -0.00146627       0.44238997 
O       1.19942469       7.09864178      -5.44782940       2.00388536      -0.90575652       0.70326367 
O       6.53429433       7.95991866      -0.08358550      -1.23974197       0.22005226      -0.11392918 
O       6.35822486       7.10722815      -5.37390014       1.43800656      -1.10220889       0.58703698 
O       3.57210955       4.75206843      -0.96576159      -0.64911260      -0.37575963       1.19018346 
O       3.37625737       3.67498933      -6.19165745       0.08871758       0.49003449       0.34038515 
O       8.67201399       4.60520901      -0.75125753       0.44759484       0.02407654      -0.40280163 
O       8.75832763       3.69157321      -6.04937736      -1.21167762       1.10999138       0.51972187 
O       3.40525668       9.77631598      -0.88964442       0.58977048      -0.93475437       0.72645580 
O       3.53658793       8.93192293      -6.07296955      -0.81024547       0.52878222       0.35995462 
O       8.58609914       9.87171692      -0.81972712       0.59341224      -0.97139355       0.24481702 
O       8.56020673       8.82715117      -6.09156293       0.73324137       0.02350641       0.04657552 
O       0.86652328       0.01773050      -1.84807692       0.01690105       0.52182125      -0.38543300 
O       0.84894820      -0.76943281      -7.00446783       0.21518415      -0.15437930       0.11148501 
O       5.96470034       0.07413793      -1.80008032       0.63162845       0.09574918       0.72108251 
O       6.07770363      -0.87279737      -7.04852640      -0.13119333       0.72691406      -0.14810031 
O       0.96091308       5.10685580      -1.82401168      -0.09908344       0.52659862      -0.01562681 
O       0.82596362       4.30920768      -6.97840654       0.21276890       0.02155912      -0.28162987 
O       6.22554090       5.12064192      -1.86009347      -1.06385240       0.16550574      -0.18401820 
O       6.04651664       4.38797515      -6.97502388      -0.44650113      -0.66085336      -0.16412180 
O       1.70043869      -0.43827039      -4.47964921       0.07500926      -0.00258781       0.06418915 
O       1.66085748      -1.30556594      -9.69437655       0.76912702      -0.62806882      -0.06654431 
O       6.86794530      -0.37476794      -4.51009881       0.64102269      -0.86592858       0.54189769 
O       6.95542380      -1.28456586      -9.47718654      -0.64597784       0.75054478      -1.18014931 
O       1.76715935       4.70900045      -4.36057835       0.28882819       0.73252875      -1.32214338 
O       1.84222653       3.91492931      -9.59571168      -0.20903416      -0.92760676      -0.66604209 
O       7.02294201       4.70255312      -4.41318229      -1.03688145       1.48112387      -0.40247734 
O       7.03721474       3.90245404      -9.61906750      -0.98220495      -0.50382417       0.66612684 
O       4.32259255       4.22356171      -3.52192834       0.69452142       0.33579104       0.26783142 
O       4.38582425       3.29018934      -8.81559309       0.47019803      -0.45880910       1.00682206 
O       9.57224671       4.26976463      -3.38022977      -1.11823191      -0.87169258      -0.83644739 
O       9.47314719       3.26337517      -8.65775932       1.41749677       0.97586395       0.23337905 
O       4.34896323       9.32093611      -3.37395084      -0.97011486      -0.12649051      -1.22327403 
O       4.22190332       8.49526591      -8.69500500       0.59525751       0.46559632       0.13556131 
O       9.41552688       9.34156472      -3.38674549       0.20670150       0.37866271      -0.74755881 
O       9.54381741       8.50672207      -8.67156654      -0.14871805      -0.70163083       0.27625364 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0012293257712227379 0.001116538012586134 -0.0014125586471670976 0.001116538012586134 -0.0011748846822269147 0.000711341874050644 -0.0014125586471670976 0.000711341874050644 -0.0035541846111552004" pbc="T T T" energy=-961.43807134 free_energy=-961.43807134 config_type=crystal 
Hf       2.81811296       3.03726409      -4.11266647      -0.27877452      -0.34666500      -0.91876387 
Hf       2.74348155       2.15306965      -9.40894355       1.50890884       0.10348129      -0.11610704 
Hf       8.08107417       3.07932436      -4.10719157      -1.68504511      -0.25991131       0.15465490 
Hf       7.97798104       2.11944669      -9.49158841       1.01003105       0.04478039       1.32000863 
Hf       2.78412859       8.10534035      -4.19435199      -0.03173455       0.64374915       0.32028106 
Hf       2.85838501       7.22375919      -9.43985098      -0.64337673       0.10229767       0.70718610 
Hf       8.08088642       8.07806634      -4.19104945      -1.10087291      -0.20321631       0.51337855 
Hf       8.02006194       7.29035005      -9.44529458      -0.11852359       0.08698939      -0.25192722 
Hf       0.23834485       0.76447394      -3.69539275       0.23849782       0.69984923      -0.12419724 
Hf       0.25045785      -0.08644273      -8.96828829      -0.11754902      -1.00186792       0.55585371 
Hf       5.39105371       0.74144401      -3.73589078       0.75892072       0.20757296       0.99179814 
Hf       5.38846258      -0.05049325      -8.95057422       0.46769308      -0.51227184      -0.28862724 
Hf       0.22357109       5.97710301      -3.76978593      -0.27520464      -1.18862041       1.54025818 
Hf       0.19643040       4.97577713      -8.95643911       0.46720817       0.58480591      -0.36608181 
Hf       5.36939389       5.95907361      -3.66713253       0.76281796       0.81746523      -2.05393996 
Hf       5.41394675       5.00384577      -8.99851737      -0.51020075       0.12106649       1.40605063 
Hf       2.43775013       1.26985291      -0.97789743       0.01790530      -0.14273458      -1.94308356 
Hf       2.37195109       0.29376736      -6.36426712      -0.63910184       0.20899880       0.18602752 
Hf       7.61634204       1.26455752      -1.05945285      -0.81501737      -0.27372935      -1.39031029 
Hf       7.58763698       0.34586278      -6.24869516       0.21422494      -0.11861094      -0.96644651 
Hf       2.34023991       6.34794861      -1.05911095       0.50753375       0.73957932      -0.40433458 
Hf       2.40205126       5.46111278      -6.39930631      -0.17882333      -0.65237240       0.98038453 
Hf       7.52570719       6.43719819      -1.07155918       1.21033650      -0.10533195      -0.96425607 
Hf       7.53578287       5.40462330      -6.37108242      -0.49338803       0.73852369       0.89139112 
Hf       5.00915571       3.54151587      -1.57358648      -0.32197241      -0.91289936       0.12726307 
Hf       4.91882457       2.52543807      -6.76185371       0.65477962       0.62637110      -0.24934708 
Hf      10.20451247       3.46236978      -1.52749710      -0.30836603       0.15674006      -0.38450115 
Hf      10.14516051       2.55247851      -6.74026881       0.60153930       0.33287325      -0.33601527 
Hf       4.93038138       8.62289993      -1.50629002       0.62347462       0.29202722      -1.21598764 
Hf       5.01143025       7.69662330      -6.79458634      -0.58068340       0.37877997       0.29455313 
Hf      10.23205891       8.69851595      -1.55853400      -0.50110350      -0.81809246       0.83378074 
Hf      10.14608151       7.60633936      -6.83748354       0.55954590       0.84014392       0.10964345 
O       1.36557226       1.41747378      -7.97349521      -0.40251067       0.30308760      -0.31893955 
O       6.53087219       2.39904225      -2.68646778       0.18121657      -0.15137988      -0.27255471 
O       6.59224423       1.49305260      -8.01415883      -0.70708224      -0.43596381       0.61485015 
O       1.25461357       7.60072693      -2.77220579       0.13087470      -0.63469236      -0.14000919 
O       1.33509618       6.54613549      -7.96097641       0.35836093       0.40407435      -0.39355471 
O       6.59299805       7.54541037      -2.78431632      -1.11009207       0.18844058       0.35626222 
O       6.58195514       6.64666365      -7.96942224      -0.34169920      -0.42549792      -0.64432743 
O       3.94071368       1.43414957      -5.16155479      -0.38319619      -0.59412567       0.03097342 
O       4.02131618       2.29538540      -0.00866666      -0.12352557       0.53286143       1.00300823 
O       9.08395054       1.49642197      -5.02008765       0.12699904      -0.87137027      -1.05181669 
O       9.23954967       0.49795897     -10.39284973      -0.70155945       0.44812204      -0.06625460 
O       3.86745607       6.54111313      -5.18504239       0.24730332       0.46555660       0.60751419 
O       3.95201188       5.63805847     -10.35935003       0.10267342       0.51128174      -0.14965708 
O       9.18805038       6.47598460      -5.16259287      -0.92038249       0.79749253      -0.35254372 
O       9.11732312       5.70840660     -10.38402179       0.23134238       0.19589605      -0.13654247 
O       3.79015820       1.91730167      -2.53846308       0.20218174       0.27733649      -0.09256691 
O       3.78854012       1.07682276      -7.88488718       0.97631876      -0.98460508       1.01784983 
O       9.11673181       1.80667402      -2.47177303      -0.03597148       0.73681394       0.02751881 
O       9.14957304       1.00739413      -7.73804154      -0.89385685      -0.37417061       0.25424314 
O       3.78425402       7.03663767      -2.52566381       0.32718717      -0.03981160       0.06946709 
O       3.88192663       6.18285692      -7.71306169       0.28305075      -0.19606416      -1.13233453 
O       8.94084261       6.85972673      -2.51439280       1.51260386       0.78107019      -0.64106186 
O       9.11578411       6.03583005      -7.76584687      -0.67347244       0.28222050      -0.09691136 
O       1.37367472       2.95361578      -0.24151713      -0.30386680      -0.90760864       1.08399426 
O       1.18831819       1.95025084      -5.30853252       0.59614499      -0.36913316       0.02306778 
O       6.47630662       2.89808998      -0.09909024       0.00490078       0.07065358      -0.15701610 
O       6.44900508       1.97555896      -5.34649581      -0.00550727      -0.90598792       0.02209922 
O       1.36074784       7.95518763      -0.14774239      -0.97983732       0.05115468       0.30093101 
O       1.19180383       6.96759966      -5.30611392       0.79228188       1.17402994      -1.40536649 
O       6.40010939       7.93029102      -0.14506002       0.22689057       0.49102394       0.47826943 
O       6.37948642       7.00902599      -5.37347791       0.48266043       0.48022759      -0.13736027 
O       3.51388337       4.73392789      -0.74427296       0.67870968      -0.77807715      -0.59844343 
O       3.52745237       3.73438846      -5.99905089      -0.94445392       0.55524462      -0.21431882 
O       8.64071208       4.62578446      -0.77502718      -0.06633820       0.20494929      -0.98304741 
O       8.71704501       3.81174915      -6.00695667       0.03325855      -0.61565012      -0.47144992 
O       3.43924780       9.78337906      -0.85140119       0.72782373      -0.49295058       0.75486864 
O       3.43054240       8.89539981      -6.02856614       1.04293666      -0.31769697      -0.45333066 
O       8.63994497       9.81354310      -0.86538051       0.47349077      -0.43006822       0.64627002 
O       8.67438506       8.82650868      -6.14179353      -0.02513582       0.27873195       0.86514218 
O       0.95851168       0.08219676      -1.80271250      -0.58915580      -0.26305217      -0.41096916 
O       0.86172317      -0.89124438      -7.14353905       0.25530844      -0.37066578       0.41155030 
O       6.14258229      -0.01467627      -1.83716870      -0.72759208       0.37616732      -0.46019682 
O       6.17578344      -0.90607058      -7.09217407      -0.65840663       0.62337181      -0.30574727 
O       0.86821399       5.22119553      -1.74577539      -0.41755080      -0.32141441      -0.72335120 
O       0.95164016       4.18349893      -7.12163514      -0.17459004       0.20415801       0.30568397 
O       6.04732168       5.29785848      -1.88738691      -0.13892399      -1.07360941       1.53313398 
O       5.99381508       4.25892163      -6.96749496       0.64430705       0.61112343      -0.84520425 
O       1.68639319      -0.42922677      -4.55053751      -0.47756250      -0.09517004       0.72410472 
O       1.71708446      -1.41189819      -9.73641322      -1.14921525       1.65135081       0.32265109 
O       6.95348039      -0.47393845      -4.43819479      -0.59963128       0.67067529      -0.30638175 
O       6.85496138      -1.27207965      -9.82165445      -0.30744866      -0.41940392       1.42951287 
O       1.71961014       4.75712239      -4.47465692       0.20980002      -0.56597623       0.59411043 
O       1.80531521       3.87216136      -9.62715401      -0.74022901       0.51646493      -0.28818335 
O       6.98183967       4.87222607      -4.38590587       0.36987469      -1.10527522      -0.12327606 
O       6.92753365       3.89618102      -9.66043162       0.29037791      -0.70753082       0.05187946 
O       4.38965993       4.19765648      -3.51925804      -0.31826061      -0.17727425       0.96601370 
O       4.25308252       3.37401795      -8.63511827       0.38743228      -0.01745605      -0.19027745 
O       9.60693845       4.10909238      -3.46468976       0.78528337       0.94670586       0.66823449 
O       9.62034224       3.26773822      -8.78043429      -0.98311835      -0.65910636       0.52443796 
O       4.20341971       9.40092720      -3.37259133       0.37626905      -0.21583061      -0.52671308 
O       4.12597846       8.61520268      -8.62474453       1.22573983      -0.42295210       0.01811421 
O       9.46300252       9.31626275      -3.34527112       0.36463991       0.12721435      -0.86960588 
O       9.47490305       8.46571110      -8.74007109       0.17376882      -0.21883590       0.33903420 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0068524178717063455 -0.0007554952021429471 -0.0010453035565852642 -0.0007554952021429471 0.0012386252141222108 0.0009896080740513574 -0.0010453035565852642 0.0009896080740513574 -0.0018011619895933013" pbc="T T T" energy=-961.64142907 free_energy=-961.64142907 config_type=crystal 
Hf       2.86454064       2.98963127      -4.18129819      -0.41835061       0.62414267       0.17347017 
Hf       2.84404693       2.15869712      -9.41098980      -0.06682740      -0.56669482       0.28546408 
Hf       8.06107711       3.10122623      -4.14335391      -1.16479041      -0.83894129      -1.06594400 
Hf       8.04962348       2.03782248      -9.46385678      -0.95247930       1.27704550       0.49330235 
Hf       2.86484030       8.18419968      -4.10382571      -0.87177513      -0.48948138      -0.52158170 
Hf       2.78221729       7.21520958      -9.36427427       0.77325031       0.85297756      -0.10903520 
Hf       8.05358966       8.12270629      -4.20061402       0.37772321      -0.32612957       0.03592943 
Hf       7.95567775       7.26832730      -9.44311456      -0.15427620       0.01803005      -0.36615618 
Hf       0.14558310       0.81272815      -3.68382752       1.03741274      -0.79863341      -0.46721969 
Hf       0.26899497      -0.15584394      -9.05110357       0.09270561      -0.02184942       0.67066776 
Hf       5.48817117       0.79299076      -3.72947692      -1.06003186      -0.33569165       0.36211002 
Hf       5.35046288      -0.08440630      -9.00127819      -0.13909179      -1.12491449       0.43766229 
Hf       0.28340548       5.96739785      -3.71182817       0.38020524      -0.31433884      -0.70414089 
Hf       0.16190438       5.04658227      -8.90009938       0.65306543       0.15063800      -0.55482729 
Hf       5.42853462       6.02138951      -3.68834875       0.08070281      -1.38898063      -0.30184819 
Hf       5.37349629       4.98500584      -8.96560980       0.56524238       0.23187096       0.45937341 
Hf       2.36560906       1.28859522      -1.10694552       0.02070329      -0.97888383       0.11843210 
Hf       2.36691616       0.30234642      -6.32542167      -0.05412507      -0.62394729      -0.12535276 
Hf       7.58171711       1.26115546      -1.06981199      -0.88469571      -0.92087007      -1.37213754 
Hf       7.49332002       0.36892120      -6.31269916       0.94204714      -0.73388167      -0.99926559 
Hf       2.42249094       6.34733291      -1.02039813      -1.32348710       0.30930730      -0.78132529 
Hf       2.41539001       5.44879570      -6.34011378      -0.05031360       0.57479517       0.29682953 
Hf       7.53935453       6.40049180      -1.11146204       0.32868431      -0.56254818       0.37303172 
Hf       7.59013450       5.45174046      -6.34720934      -1.53200267       0.28172336       0.05850424 
Hf       4.99347873       3.48013421      -1.57028079      -0.71820915      -1.03585585      -0.17755124 
Hf       4.96346616       2.52637049      -6.73986611       0.43809413       0.61880774      -1.10019606 
Hf      10.19335153       3.43701224      -1.57061335       0.02514487       0.80485568      -0.45474286 
Hf      10.13275045       2.51767373      -6.80379661       0.62325312       0.78385342       0.07938928 
Hf       4.91692148       8.63279844      -1.49251293      -0.39628378       1.23814134      -0.63233970 
Hf       4.99194699       7.73655436      -6.72616999       0.00588671      -0.70318291      -1.10673385 
Hf      10.14247379       8.59829704      -1.51342684       0.37735067      -0.06003546      -1.37701056 
Hf      10.19252623       7.68493573      -6.82356239       0.05979978       0.39501321       0.83343694 
O       1.51362129       1.41560739      -8.03819477      -2.23967761       0.31667189       0.73054143 
O       6.45766975       2.37277177      -2.79810380       1.10577728       0.59759330       0.41032257 
O       6.45388883       1.39252388      -8.03649315       1.06188258       0.70446560       0.08809527 
O       1.27061650       7.58339138      -2.80915052       0.33347288      -0.26668944       0.90403674 
O       1.35427552       6.70095686      -7.91229612      -0.58704826      -0.87951534      -0.88342780 
O       6.56342238       7.50658006      -2.74687334       0.00121843       0.07140481       0.47614537 
O       6.58082301       6.50994570      -8.06321063      -0.72736963       0.56072474       0.47179389 
O       4.03540137       1.48623898      -5.16153683      -0.98820407      -0.78779432       0.37217861 
O       3.93623307       0.49326105     -10.45819036      -0.16251161       0.71537479       0.49016781 
O       9.11837649       1.48591537      -5.18726389      -0.34079555      -0.17924680       0.07479865 
O       9.09196010       0.45722311     -10.49871915       0.52559250       0.30388980       0.98110842 
O       4.08816506       6.55741657      -5.11840631      -0.74079206       0.09038633       0.02784810 
O       3.87966976       5.69355081     -10.39309671      -0.12838611      -0.47709197       0.33123987 
O       9.25183204       6.51650976      -5.16025345      -0.79533169       0.58445375      -0.50816397 
O       9.05789999       7.48531563      -0.00930289      -0.06886851       0.09671239       1.14697921 
O       3.73750527       1.88640617      -2.54170241       0.11936680       0.16715123      -0.22447812 
O       3.85282373       0.96953519      -7.75082075       0.36564765      -0.43017103       0.09340594 
O       9.05418452       1.92084011      -2.56842366      -0.31410837      -0.43603332       0.18872438 
O       9.03863565       0.99794076      -7.83034105       0.11152838       0.00674274       0.05576832 
O       3.80240680       7.08448478      -2.44710579       0.51971370      -0.57878541      -0.42015275 
O       3.84435637       6.08503426      -7.80929325       0.15486895       0.09867920       0.50764402 
O       9.08830178       6.85778468      -2.58809567      -0.79935275       0.91871866       0.80990406 
O       8.94562776       6.04873206      -7.73661724       2.09550732       1.12729697      -1.19340845 
O       1.16699585       2.79242203      -0.13650803       0.76205977       0.08523557      -0.25682594 
O       1.20385314       1.86139123      -5.27726472       0.65829455       0.20269897      -0.72004721 
O       6.47739510       2.74305091      -0.11421234      -0.36134600       1.28688793      -0.15466133 
O       6.49707858       2.01350363      -5.44673009       0.39979398      -0.77496193       0.65549254 
O       1.21413112       7.89593655      -0.11735674      -0.21597826       0.52190053       0.42198235 
O       1.35457601       7.05017540      -5.40190037      -0.34016259       0.17633441       0.28697513 
O       6.27698346       7.97103145      -0.14542197       1.82261279      -0.59335739       0.41849294 
O       6.58055587       7.20387748      -5.37249589      -0.62017546      -1.11654876      -0.40716325 
O       3.47873196       4.64231126      -0.77568357       0.13784838       0.07255143      -0.15715892 
O       3.59728669       3.83648988      -6.05453336      -0.82312997      -0.72342089       0.58245333 
O       8.68760951       4.62711435      -0.79143560      -0.19445347       0.22799600      -0.33477096 
O       8.70895575       3.82681225      -6.11293005       0.26561249      -1.03898892       0.57729840 
O       3.38901748       9.81181176      -0.79167365       0.42442454      -0.54580382      -0.26893132 
O       3.46064184       8.80443352      -6.00190978      -0.32137134       1.28354167      -0.56692337 
O       8.55068485       9.76180759      -0.97027453       0.09507441      -0.20212500       0.74172289 
O       8.69994944       8.89970208      -6.05368596      -0.12611131       0.34918012      -0.60725637 
O       0.80995020       0.09365226      -1.76238763      -0.21787833      -0.08630140       0.09688136 
O       0.84596057      -0.80947866      -7.17509677       0.11908004      -0.33436184       1.38626859 
O       5.95044766       0.13827493      -1.80772013       0.32241384      -0.29950432       0.17159298 
O       6.03373356      -0.86997915      -7.11344878       0.85028131       0.50725719       0.80023706 
O       0.95305750       5.14001906      -1.89301165      -0.02999693      -0.21330997       0.64194906 
O       0.95424937       4.28200682      -7.10927806      -0.48488665      -0.47594194       0.20649871 
O       5.97642090       5.18061998      -1.76970780       0.99966452       0.96487569       0.02693441 
O       6.01067552       4.26726220      -7.04627612       0.87758051       0.60559519      -0.11276850 
O       1.74525837      -0.45959379      -4.40077711      -0.39097273       1.11850013      -0.25212522 
O       1.83803654      -1.28090119      -9.55834273      -0.62633461       0.53119279      -0.98634354 
O       6.93653341      -0.36329426      -4.44832040       0.31106029      -0.16344691      -0.16730039 
O       6.85532016      -1.31277408      -9.76292814       0.45285714      -0.62448197       0.64630939 
O       1.78859213       4.74905223      -4.43677942       0.03596838      -0.48264849      -0.18382283 
O       1.67559529       3.84782455      -9.66952534       0.35683584      -0.38343223      -0.06962492 
O       6.89843583       4.76707021      -4.41845495       0.12008767       0.41987874       0.08569452 
O       6.94341947       3.84399447      -9.67329820       0.02327183      -0.26207668      -0.43641802 
O       4.32648299       4.17626377      -3.44018139       0.36769900       0.66481968       0.33094036 
O       4.29923122       3.26940966      -8.63254731      -0.03519799       0.29947525      -0.59542316 
O       9.56901231       4.13667484      -3.52002007       0.95723617       1.02844200       0.71186664 
O       9.51278180       3.38452060      -8.62966343      -0.72280151      -1.30297421      -0.52296495 
O       4.43374128       9.28718287      -3.49470001      -0.05143970       0.44947762       0.24600711 
O       4.30144768       8.43010257      -8.57720209      -0.19784110      -0.06322148      -0.86547425 
O       9.50691025       9.29312961      -3.51493159       0.67864633       0.68055519       1.04462135 
O       9.58675426       8.37714933      -8.81081196      -0.70275644      -0.48858228       0.15387079 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002485436248602636 0.0018475997412332234 -0.0012691533714832748 0.0018475997412332234 -0.0021629723433797344 -0.0009489088033508273 -0.0012691533714832748 -0.0009489088033508273 0.006013736048144936" pbc="T T T" energy=-961.36025123 free_energy=-961.36025123 config_type=crystal 
Hf       2.75551455       2.97913386      -4.12460385       0.47382990       0.96168327       0.13691763 
Hf       2.84713118       2.13472868      -9.34289991      -0.16471247      -0.97073702      -1.67965988 
Hf       7.99811400       3.10109162      -4.09919055       1.02814176      -1.02376349      -0.40448874 
Hf       8.05235508       2.12612337      -9.42685839      -0.19365387       0.25756348       0.24083453 
Hf       2.74041672       8.11599877      -4.20536606       1.41793734       0.65690551       1.61067456 
Hf       2.83644632       7.26602672      -9.40679891      -0.44795086       1.28934259      -0.11008161 
Hf       8.05728081       8.11643329      -4.19317719      -0.44422678       0.90778577       0.22078923 
Hf       8.01997342       7.21472244      -9.41267788      -0.66533753       0.91053429      -0.70729517 
Hf       0.25457314       0.75826663      -3.68935271      -1.08483257       0.18744267       0.20853034 
Hf       0.21946911      -0.10362250      -8.91599202      -0.01925048      -0.04767874      -1.20852909 
Hf       5.36725640       0.79454189      -3.74614765       0.24566821      -1.08643370       0.78940653 
Hf       5.41620768      -0.03230260      -8.96729136       0.52578929      -1.17762688      -0.44557966 
Hf       0.29463334       5.97550113      -3.74105812      -1.35501143      -1.24337525       1.54439050 
Hf       0.21871519       5.02069957      -8.99380597      -0.18773573      -0.34109573      -0.11358583 
Hf       5.45763035       5.98230569      -3.72171037      -1.02442160      -0.30653043      -0.28025257 
Hf       5.37225081       5.04712620      -8.97936231       0.83296709      -0.02582851       0.16503035 
Hf       2.37383568       1.28520185      -1.09752366      -0.36270918      -0.38717146      -0.30102028 
Hf       2.42321213       0.29015683      -6.32886544      -0.85031657       0.55231772       0.26674031 
Hf       7.54840396       1.16776320      -1.03199676      -0.01836985       0.32750361      -1.11499093 
Hf       7.58201272       0.43215536      -6.34358590       0.33118011      -1.20388365       1.27948288 
Hf       2.38742660       6.28124294      -1.05745805      -0.22331720       0.57399086      -1.07040600 
Hf       2.37873897       5.51002034      -6.37516567       0.36256132      -1.22517069       1.13399543 
Hf       7.51377830       6.41422032      -1.12039278       0.83829930      -0.29870531       0.52347007 
Hf       7.62169502       5.42887519      -6.39355682      -0.42994133       0.29033201       0.10553261 
Hf       5.03438439       3.43429041      -1.58698365      -1.22877661      -0.30329938      -0.16067883 
Hf       5.00088597       2.57704222      -6.74347779      -0.95741081       0.97301744       0.03706744 
Hf      10.13014674       3.39424751      -1.51288732       0.82104152       0.77825716      -0.61889168 
Hf      10.21703361       2.52049026      -6.77001067      -0.91622402       0.50192372       0.62235791 
Hf       4.86039931       8.63408747      -1.53010303       0.74336130       1.18147051      -0.34052885 
Hf       5.04455067       7.72583200      -6.83070762       0.62733617       0.30208023       0.76409489 
Hf      10.14601345       8.56808871      -1.53082138      -0.32607452       0.80952664      -0.27308532 
Hf      10.13300688       7.69080293      -6.80965279      -0.19053342       0.75359928      -0.01199587 
O       1.33383417       1.48863740      -7.99685470       0.45107045       0.02884080       0.33266588 
O       6.55615208       2.32206385      -2.73057580      -0.25748951       0.71038309      -0.15951115 
O       6.54194866       1.42171119      -7.93576703      -0.07051543       1.35617855      -0.37198755 
O       1.32247716       7.60073487      -2.58144754       0.59080842      -1.12523455      -1.96835078 
O       1.38520067       6.53294352      -7.98448102      -0.13671142       0.49403251      -0.06215053 
O       6.55262396       7.52356431      -2.78117833      -0.25210376      -0.02095853       0.63716801 
O       6.54381579       6.59037409      -7.97193608       0.30076954       0.27787922      -0.67780736 
O       3.79696883       1.45232413      -5.15826831       1.35081368      -0.26118905       0.06158767 
O       3.99313303       0.54918359     -10.48342463      -0.25458003       0.09619851       1.14626058 
O       9.06159987       1.48739350      -5.09760328       0.71553434      -0.32576667      -0.44744203 
O       9.18630409       0.52926582     -10.40713504      -0.83930218      -0.18952862       0.56434638 
O       3.92700514       6.64565406      -5.14237431       0.63043935      -0.30350128      -0.36356142 
O       3.86384576       5.67990696     -10.38865013       0.22879000       0.12872190       0.34611685 
O       9.04334215       6.51766663      -5.31186793       2.19523151       0.49762848       1.44842197 
O       9.06578446       7.50666820      -0.01717392       0.28584096      -0.43996250       1.47098487 
O       3.77325059       1.82407439      -2.59204568       0.21326635       1.19989766       0.12266231 
O       3.91788111       1.04162053      -7.72356165      -0.47121743      -0.55743776      -0.45655554 
O       9.13947856       1.85411867      -2.53012530      -0.75978057       0.34153743       0.57988277 
O       9.04740111       1.08077267      -7.78511324      -0.07175187      -0.76860871       0.20921801 
O       3.92289640       7.11250904      -2.52478932      -0.95489239      -1.23642280       0.09993770 
O       3.89900807       6.19344914      -7.70724731      -0.40744380      -0.38929255      -0.84426435 
O       9.03522649       6.89192428      -2.50410643       0.29089468       0.32440948      -0.79968761 
O       9.09631935       6.11470804      -7.82536598      -0.22097553      -0.09683754      -0.44337181 
O       1.23145485       2.73883403      -0.20065652       0.22026755       0.86278361       0.62592240 
O       1.29751126       1.91745829      -5.27741530      -1.00252635      -0.18098593      -0.46224896 
O       6.47760083       2.75217412      -0.10935519      -0.13063805       1.16488926       0.38755581 
O       6.36661700       1.93951578      -5.31087121       0.10699149       0.19049811      -0.56153695 
O       1.17443458       7.92011049      -0.11564641       0.81196325      -0.06968499       1.21385029 
O       1.20637632       7.08417465      -5.33084186       0.07047632       0.21946478      -0.68265860 
O       6.39075802       7.98494362      -0.10776981      -0.20551035      -0.29162927      -0.24919126 
O       6.64080535       7.06483493      -5.39328107      -2.41887655       0.29157495      -0.43365187 
O       3.43367539       4.56835082      -0.85769975       0.72694030       0.17063810       0.54718341 
O       3.42587051       3.78792176      -6.03991350       0.41232087      -0.20155595      -0.50199948 
O       8.74135290       4.65884964      -0.68500010      -0.45400355       0.64314075      -1.22007817 
O       8.60642131       3.70569784      -6.05554771       0.30536293      -0.15703137      -0.33441867 
O       3.39136423       9.84039026      -0.81616868       0.23340227      -1.13723004       0.74593065 
O       3.54360741       8.96361306      -6.08579990      -0.37027777      -0.46947573       0.11769335 
O       8.48439591       9.74449084      -0.94209600       0.91618944      -0.90778926       0.93830112 
O       8.77148060       8.97397828      -5.99207052      -0.39803853       0.00670397      -0.70113358 
O       0.82844326       0.08681609      -1.77084197       0.06688436      -0.02413954       0.23929395 
O       0.75388874      -0.79588025      -7.02727269       0.95138038      -0.09464088       0.46512551 
O       5.89538730       0.16160613      -1.76824633       0.10452926      -0.64661768      -0.08605497 
O       6.12341043      -0.85166247      -7.13049932       0.28976653       0.03534399       0.90534914 
O       0.96238268       5.12951377      -1.87666823      -0.60406188      -0.01139401      -0.06886483 
O       0.80444926       4.24222086      -7.04477989       1.11314780       1.20263445      -0.01371421 
O       6.11341621       5.10979063      -1.82502036       0.19327793       0.70965688      -0.05907207 
O       6.03787794       4.34260409      -7.11785819      -0.40915769      -1.02390667       0.60955051 
O       1.67428466      -0.48829054      -4.39506899       0.16333891       0.44470305      -1.12560880 
O       1.77947652      -1.18868508      -9.54709660       0.74980972      -1.15050462      -0.33603266 
O       7.00931400      -0.32388835      -4.36924344      -0.77892189      -0.41718909      -0.48739187 
O       6.98656746      -1.27264348      -9.62657752      -0.12232364      -0.24503328      -0.03982271 
O       1.81009038       4.84450606      -4.36598174      -0.33239329      -0.22004583      -0.86895816 
O       1.74383178       3.75948861      -9.73874782      -0.86212119       0.82813944       0.73715705 
O       6.97443658       4.82613633      -4.40918294      -0.29120399      -0.53806054      -0.13786990 
O       6.95270642       3.90008927      -9.64448669      -0.50511858      -0.23451604      -0.32959934 
O       4.21968925       4.32350756      -3.43292517       1.01204568      -0.81857937       0.37775314 
O       4.23073279       3.36099290      -8.64408115       0.69470987       0.24352421      -0.08010225 
O       9.58320868       4.17901995      -3.45602079      -0.14892569       0.45458411       0.00100522 
O       9.52134091       3.34858922      -8.68323048      -0.03502246      -0.24290320       0.10621349 
O       4.18312113       9.39458101      -3.42813659       0.72234163       0.12364045      -0.22174022 
O       4.39755199       8.47415370      -8.70239594      -0.68076050      -0.55089143      -0.27180755 
O       9.48052503       9.28424572      -3.35479483       0.65935114       0.27055444      -0.56268568 
O       9.57459824       8.43027063      -8.77984616      -0.42195250      -0.61555591       0.50205530 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0012424881902258751 0.0013169092736770012 0.0012967486249815586 0.0013169092736770012 -0.002084535479198524 0.0036299329640049637 0.0012967486249815586 0.0036299329640049637 -0.004309607592796052" pbc="T T T" energy=-962.10730687 free_energy=-962.10730687 config_type=crystal 
Hf       2.78217698       2.98749194      -4.21181520       0.14432360       0.68889032       1.45133174 
Hf       2.79041368       2.14196344      -9.37243564       0.85681512      -0.60938030      -0.75030950 
Hf       7.99431126       3.01866026      -4.16818884       0.24206858       0.72981028      -0.22326080 
Hf       8.00039841       2.10904151      -9.44269474       0.69148241       1.25739258       0.64110119 
Hf       2.87321986       8.11071304      -4.17892107      -0.79930867       0.58667589       0.97228879 
Hf       2.86958461       7.28805407      -9.45185136      -0.70144139      -0.78887626       0.60330178 
Hf       8.01906375       8.12902375      -4.15209008      -0.78805219      -0.82277558      -0.67932948 
Hf       7.95416108       7.29372985      -9.33550068       0.45600043      -0.10471211      -0.94755493 
Hf       0.18885463       0.74260518      -3.74776516       0.78554548       0.11627319      -0.59822354 
Hf       0.21965489      -0.11163028      -8.94962224      -0.57646211       0.83129711      -0.19223540 
Hf       5.45892135       0.80555008      -3.79542553      -0.02610510      -0.54399610       1.30855338 
Hf       5.42507465      -0.10908522      -9.00465549      -0.27856289      -0.12182351       0.17054598 
Hf       0.21955764       6.00255900      -3.69052038       0.30573936      -1.30719419      -0.22766101 
Hf       0.25036600       5.07522165      -8.90197709      -0.66174378      -0.20573449      -0.50732901 
Hf       5.41058071       5.89278639      -3.64942382       0.36727953      -0.27808118      -1.12787519 
Hf       5.36125964       5.03555368      -8.96442628       0.37736174      -0.32484179      -0.01449704 
Hf       2.33415058       1.21269179      -1.09586867       0.04684128      -0.01155348      -0.00961742 
Hf       2.43861315       0.36224782      -6.37349209      -1.04847457      -0.71992718       0.80904652 
Hf       7.62197161       1.26114142      -1.05189883      -1.18017247      -1.04903462      -1.08979774 
Hf       7.62037348       0.26094694      -6.35155206      -0.08092557       0.71506800      -0.60073649 
Hf       2.29090679       6.33009001      -1.01796798       1.69010471       0.58774402      -0.79532065 
Hf       2.41847707       5.45452973      -6.30607770      -0.95494907       1.42168450      -0.29511554 
Hf       7.57651895       6.44778652      -1.07880963      -0.69385085      -1.01020122       0.54752298 
Hf       7.62897695       5.48141309      -6.38938294      -1.17196542      -0.32546221       1.01212382 
Hf       4.91577574       3.43499723      -1.53416582       0.34192930       0.15233621      -0.49208260 
Hf       4.97720296       2.57616299      -6.78559952       0.77658612       0.42699666       0.01780900 
Hf      10.13086482       3.41788839      -1.57124307       0.42534884       1.19737214      -0.27212674 
Hf      10.17730871       2.57522357      -6.75639435      -0.79207814      -0.18880308      -0.87920484 
Hf       5.00095268       8.59539633      -1.59181256      -0.50400498       0.55385073       0.15095282 
Hf       4.92798486       7.74721242      -6.81672220       1.31770345      -1.94167593       0.82170125 
Hf      10.16312460       8.61992423      -1.48018588      -0.38524535      -0.02775051       0.03468285 
Hf      10.26361195       7.73496316      -6.76875123       0.45714598      -0.66563727      -0.38168459 
O       1.35338600       1.55652859      -8.04569996      -0.18018439      -0.70596691       0.96180407 
O       6.50987662       2.41175017      -2.79448026      -0.10213593      -0.40679028      -0.17210856 
O       6.57928867       1.44233831      -8.05760552      -0.67082759      -0.53242492       0.13749290 
O       1.29652834       7.48691254      -2.71368088       0.10007664       0.88676526       0.76762410 
O       1.40495252       6.73031737      -7.98792931      -0.78778254      -0.79348692       0.54017519 
O       6.51680019       7.50776830      -2.75992042       0.12965841       0.12105773       0.01053063 
O       6.42026126       6.58758986      -7.96334870       1.27441361       0.08632839      -0.78259091 
O       3.98849096       1.44233662      -5.16633066      -0.81855139       0.18658610      -0.06912645 
O       3.90635100       0.45949169     -10.34918872      -0.49082943       0.54470699      -0.19025164 
O       9.13379507       1.44513762      -5.16928689       0.27884863      -0.80943872       0.54977692 
O       9.00883286       0.51931231     -10.30050906       0.46914596      -0.28142144      -1.04381968 
O       3.92620082       6.61480947      -5.08697617       0.53036855      -0.94647094      -0.72065413 
O       3.94236719       5.60243041     -10.37318539      -0.32927139       0.47427814      -0.19502687 
O       9.24542819       6.47423901      -5.15092515      -0.96970138       0.84433977      -0.23778101 
O       9.13090667       5.77166636     -10.33680234       0.09222313      -0.90310919      -0.03327060 
O       3.76264802       1.89074439      -2.50863449      -0.22160770      -0.01050708      -0.19849877 
O       3.82679282       1.01089706      -7.74653052       0.55227268      -0.53330476      -0.18745470 
O       9.03664706       1.92517817      -2.53413201       0.07011776      -0.61549805       0.16926346 
O       9.07963804       1.02979143      -7.77244156      -0.23815447      -0.49403500       0.55452937 
O       3.83533156       7.05212501      -2.51382356      -0.07928624      -0.51566852       0.28372827 
O       3.82260522       6.05981925      -7.79487259       0.19011417       0.23800057       0.42360397 
O       8.97911433       6.98219526      -2.46793286       1.07327802       0.64336509      -0.49760121 
O       9.03810315       6.26171517      -7.79898977       0.23075761      -0.87802042       0.65325445 
O       1.14344126       2.74140130      -0.16140271       0.67005092       0.39501315      -0.31189752 
O       1.30012899       2.00475003      -5.35975207      -0.03270166      -0.84164242      -0.14012674 
O       6.37059981       2.74735097      -0.19309232       0.67067250       0.43054396       0.73332339 
O       6.47421931       1.86150742      -5.47723282       0.19107133      -0.06298836       0.73525983 
O       1.29133859       6.15412504     -10.47835159      -0.75585861       0.07236831      -1.48931727 
O       1.33824080       7.10213129      -5.34144367      -0.58987293       0.21295397      -0.35037068 
O       6.39106890       8.00677000      -0.18399188       0.99137545      -0.50788391       1.07665780 
O       6.45349742       6.99427472      -5.39257637       0.33615594       0.48189792       0.11925417 
O       3.54799533       4.68440949      -0.77039316      -0.74179262      -0.09301603       0.33836058 
O       3.49666883       3.84320233      -6.01044686       0.61062930      -1.43708864      -0.25917584 
O       8.74992894       4.69026567      -0.84213652      -0.69962318      -0.00924978       0.40795234 
O       8.58332462       3.65324311      -6.07137682       0.52490242       0.91918149      -0.81627356 
O       3.46193013       9.74244393      -0.81070145      -0.42218904       0.58817383      -0.38519060 
O       3.53275630       8.87619290      -6.03551270      -1.24811612       1.58356921      -0.29406188 
O       8.60359359       9.72189642      -0.74145051       0.26213725       0.92428018      -0.80964474 
O       8.75567280       8.81208333      -6.06646611      -1.33015017       1.01223803       0.49389650 
O       0.68938766       0.15443246      -1.79835854       0.74374481      -0.56654340       0.45027187 
O       0.83799308      -0.78601960      -7.05646746       0.90778030       0.53864474       0.21901612 
O       6.11352448       0.07912654      -1.88212276      -0.16062957      -0.14928205      -0.13514774 
O       6.02656415      -0.86286462      -7.00208294       0.64569583       0.61460569      -0.93989166 
O       0.96392762       5.11884441      -1.84942645      -0.70958083      -0.59362871       0.21822690 
O       0.83781998       4.29382578      -7.08957423       0.76155935       0.89395954       0.71009470 
O       6.10968069       5.17340000      -1.81980241      -0.12996980      -0.09908846       0.14982211 
O       6.09838073       4.27202848      -7.03724079      -0.34596605      -0.18034726      -0.38585387 
O       1.72010056      -0.45262294      -4.49605711      -0.48160644       0.95394659       0.30136410 
O       1.68721714      -1.26628877      -9.63973812       1.16495440      -0.87435478      -0.60344117 
O       6.90278905      -0.43456028      -4.49423904       0.55517942      -0.36008073       0.12612417 
O       6.81090217      -1.35815786      -9.78733570       0.08392264       0.38740176       0.95896709 
O       1.71442475       4.83838704      -4.42597096       0.63824893      -1.37416263      -0.07473143 
O       1.73227601       3.83362844      -9.64124978      -0.23188805       0.18489416      -0.20108810 
O       6.95448358       4.74744730      -4.47256426      -0.27290246       0.04521676       0.37949868 
O       6.90429326       3.85479111      -9.68161193       0.15958875       0.11231151      -0.27513609 
O       4.32610884       4.14382832      -3.44271497       0.00001591       0.46851804       0.02702295 
O       4.32483571       3.24418190      -8.63808584      -0.04707137       0.58464428      -0.27055733 
O       9.55327372       4.20753455      -3.51062205      -0.09905288      -0.37336611       0.57810114 
O       9.59438905       3.24848549      -8.71614814      -0.51432628       0.78227977      -0.08177366 
O       4.31870482       9.35045729      -3.42306985       0.27372080       0.70812479      -0.59670091 
O       4.37724831       8.36300984      -8.70023093       0.10623918       1.21364581      -0.12621829 
O       9.46239106       9.29403117      -3.44942506       0.59509123       0.37088400       0.74565012 
O       9.52020723       8.52480822      -8.72897145      -0.76487811      -0.73844394       0.41448545 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0029093906998046743 -0.0010251044601936063 0.000526936274715113 -0.0010251044601936063 -0.0023472717684035254 0.0014918587120604176 0.000526936274715113 0.0014918587120604176 0.0017995942660555893" pbc="T T T" energy=-962.1423218 free_energy=-962.1423218 config_type=crystal 
Hf       2.81124040       3.04652728      -4.20058146       0.21443895      -0.55108153       0.07911444 
Hf       2.89932049       2.14565431      -9.45728415      -1.71101751      -0.53174193       0.97890560 
Hf       7.98542278       3.01296238      -4.19545991       0.87054143       0.75152945      -0.48885896 
Hf       8.04313630       2.08642417      -9.47124174       0.22664850       0.50682939       1.06701094 
Hf       2.82854585       8.16435396      -4.17169814       0.66500330       0.24322657       0.78435733 
Hf       2.80740098       7.22518599      -9.32748684       0.11882584       0.81478944      -0.53596068 
Hf       7.99415696       8.20498124      -4.12852740       0.71049076      -0.56809500      -0.06752410 
Hf       7.97510116       7.23686899      -9.38042039      -0.14251115       0.29330202      -0.14351217 
Hf       0.23844106       0.75168574      -3.65147542      -0.00645544       0.75977343      -0.66625322 
Hf       0.21633623      -0.13321783      -8.96287282       0.73289765      -0.40770308       0.05434042 
Hf       5.41736162       0.79035356      -3.74376538      -0.02313050      -0.52027282       0.50156722 
Hf       5.44382144      -0.12112397      -8.94190515       0.14083713      -0.00525717       0.17682718 
Hf       0.28229164       5.92496750      -3.72382792      -1.88581047       0.25152928       1.01104872 
Hf       0.13730183       5.05912564      -9.02144582       0.52026973      -1.12668181       1.84380949 
Hf       5.43548853       5.93471164      -3.72608806      -0.60863331       0.57478195       0.12644002 
Hf       5.42294838       5.01519695      -8.95183398       0.65723951       0.50828249      -0.27843650 
Hf       2.35353575       1.17964674      -1.12471136       1.30150576       0.18252796       1.18725055 
Hf       2.35034676       0.38029640      -6.34922912       0.88370568      -0.41896513       0.28995551 
Hf       7.56199394       1.25759592      -1.11257342       0.06733832      -0.74843993       0.35068577 
Hf       7.62686211       0.35894209      -6.36543174      -0.27097760       0.37750651       0.41204709 
Hf       2.39785836       6.44013349      -1.02058378      -0.75742590       0.31908391      -1.15630689 
Hf       2.29962123       5.46543868      -6.31915807       0.50872138      -0.68299139      -0.75400212 
Hf       7.60180415       6.35343768      -1.12808541      -0.18796125      -0.43406907       0.18656091 
Hf       7.52272216       5.53818952      -6.32577323       0.97905853      -1.15467989       0.75997139 
Hf       4.88549333       3.48755947      -1.55751303       1.10544294       0.06084249       0.21974180 
Hf       5.03604008       2.58754934      -6.87967594      -0.84373641      -0.88051001       1.72544456 
Hf      10.22275368       3.42546099      -1.55941300      -0.02893959       1.30622094      -0.10198037 
Hf      10.19520204       2.50891633      -6.75810542      -0.93251253       1.39726186      -0.75159518 
Hf       4.99986035       8.56968703      -1.52166718      -0.00955551       0.76184625       0.44830250 
Hf       4.97166316       7.70604984      -6.82023370      -0.36609910       0.57439401       1.16822944 
Hf      10.16649241       8.58185963      -1.46333611      -0.33787831       0.34256967      -0.45766004 
Hf      10.17033869       7.71320520      -6.75767468      -0.62262033      -0.56983834      -0.41989960 
O       1.39186386       1.44477299      -7.90271370      -0.46767798       0.35353299      -1.11443182 
O       6.55726873       2.37426770      -2.80422039      -0.68318488      -0.01644504       0.88491691 
O       6.56058583       1.57114708      -8.00730405       0.02802738      -0.71917048       0.16407721 
O       1.31388688       7.54540758      -2.64397411       0.64204825       0.29342708      -0.82803314 
O       1.32154941       6.49757640      -7.96941384      -0.21142011       0.90345784       0.07909844 
O       6.58938139       7.47901802      -2.74249848      -0.22458879       0.02762128       0.79480624 
O       6.45720219       6.52586170      -7.86944386       0.17122120       1.00165229      -0.91770391 
O       3.94962907       1.45820664      -5.06726489      -0.65719749      -0.03441022      -0.83786902 
O       3.98351006       0.54379859     -10.29100844      -0.44698478       0.55981658      -1.33308658 
O       9.13604384       1.45000204      -5.20965734      -0.10501238      -0.38738802       0.99348030 
O       9.16864671       0.50213935     -10.32969249      -0.07878437      -0.15775539      -1.11793246 
O       3.86983160       6.63869356      -5.13466342       0.76600315      -0.51435007       0.25633490 
O       3.96039560       5.70094082     -10.36163097      -0.13985243      -0.47854324       0.79211109 
O       9.14798696       6.51860542      -5.08510055      -0.40807519       0.93898264      -0.69749748 
O       9.07470660       5.69010973     -10.36914813       0.32510456      -0.42791891      -0.56908636 
O       3.83581503       1.93009935      -2.50206060      -0.42192466       0.07767150       0.14631031 
O       3.84457259       1.01954802      -7.79166067       0.47986535       0.09505547       0.35900693 
O       9.08939858       1.97760714      -2.53186220      -0.31198571      -1.27251945       0.17817021 
O       9.12389582       0.93240619      -7.81554793      -0.72748088      -0.00912299       0.52301864 
O       3.87340015       7.08464966      -2.43727325      -0.20846918      -0.96691951      -0.50609282 
O       3.81419417       6.14907938      -7.65420108       0.19563268      -0.05864465      -1.11385849 
O       9.10217563       7.00040259      -2.51637878      -0.38896307       0.32924204       0.74680582 
O       8.93451981       6.14751774      -7.75053765       0.75193465       0.05135540      -0.03235365 
O       1.34400149       2.85073894      -0.18733810      -0.27699750      -0.40202735       0.02669636 
O       1.21184691       1.89781200      -5.33503957       0.61475484      -0.01544443       0.72138707 
O       6.42897529       2.73561665      -0.03627511       0.34855080       0.30998490      -1.27545930 
O       6.41699736       1.85198975      -5.34447907       0.33662499       0.37026693      -0.68960834 
O       1.24513773       6.20643316     -10.48882266      -0.24053372       0.43405518      -1.02274960 
O       1.26958796       7.02284669      -5.39805715      -0.24172525       1.00870710       0.77375090 
O       6.45633273       7.96190653      -0.00549643       0.06087954      -0.37579628      -0.93048047 
O       6.43730612       7.10632523      -5.28947218      -0.07462128       0.16557748      -0.64584987 
O       3.47206576       4.71435042      -0.76132822       0.89253871      -0.44996302      -0.27113789 
O       3.47119474       3.75567540      -6.09631161      -0.32592607      -0.10400731       0.51533735 
O       8.64167765       4.56095604      -0.82948216       0.26698576       0.54410949      -0.39722074 
O       8.58670167       3.74680641      -6.10274952       0.13776158      -0.16771174       0.11025345 
O       3.41162261       9.66199875      -0.83747773      -0.28690162       0.95906859      -0.00791605 
O       3.43378822       8.93730452      -6.14647238       0.02365948      -0.13695881       0.61635893 
O       8.62473347       9.77565971      -0.82131817      -0.04032511       0.11728186       0.16455215 
O       8.68510462       8.93557196      -6.03781432       0.21511297      -0.64692998       0.14929474 
O       0.79733357       0.13763564      -1.68193341      -0.56307958      -0.70659425      -0.44156491 
O       0.81732637      -0.86667008      -7.05822904       0.45462670       0.22305210       0.62968146 
O       6.06209106       0.06672671      -1.81167622       0.06274931       0.22717548       0.37380516 
O       6.13936400      -0.82549201      -7.03917941      -0.59777282      -0.34668672      -0.23147445 
O       0.92582526       5.21283443      -1.84506136      -0.17553204      -0.78579626      -0.08800145 
O       0.77569558       4.28685542      -7.01798083       0.45518341       0.10423132      -0.26071241 
O       6.11855484       5.14156169      -1.90730221      -0.22366928      -0.20279493       0.50997651 
O       6.03917018       4.25984993      -7.02941733       0.48523227       0.69491037      -0.50417493 
O       1.85728788      -0.34730157      -4.29418095      -0.74167223       0.22113976      -0.50798639 
O       1.87350173      -1.21523605      -9.58032854      -0.54712642      -0.39270795      -0.38314837 
O       6.94591158      -0.37354118      -4.36446735       0.45029353      -0.10420918      -0.61186313 
O       6.95250173      -1.34787081      -9.62276854      -0.31981767       0.71282270      -0.37793814 
O       1.60643333       4.69892802      -4.46239014       1.24316329      -0.91794541      -0.45216623 
O       1.59287940       3.87015325      -9.82468849       0.63588780      -1.05085056       1.41677182 
O       6.87182639       4.75938434      -4.47446297      -0.10524205      -0.56162975       0.20372630 
O       6.89667270       3.76930512      -9.77139172      -0.44332608       0.64914478       0.27539061 
O       4.15418250       4.34580571      -3.37680333       0.32014232      -0.61131046       0.13948344 
O       4.29101707       3.41499433      -8.68710068      -0.58491495      -1.00815352      -0.13626746 
O       9.47421906       4.21726407      -3.44158963       0.45433398       0.26975493       0.11494431 
O       9.53120120       3.29406853      -8.66431893      -0.51780257      -0.30450894      -0.60886957 
O       4.46516403       9.20924920      -3.41192169      -0.62558186       0.99856292      -1.21590257 
O       4.36009456       8.44554351      -8.69047778       0.11235502      -0.38794569       0.00397051 
O       9.50699503       9.37780705      -3.34141488       0.04833550      -0.24926462      -0.22327689 
O       9.56605544       8.33976310      -8.73761186       0.67953022       0.81857276       0.29482070 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0042908887264671795 -3.750722562035278e-05 -0.0013461207097898505 -3.750722562035278e-05 0.0022085303543083632 0.001288905700651702 -0.0013461207097898505 0.001288905700651702 -0.0008593081138036789" pbc="T T T" energy=-961.14547768 free_energy=-961.14547768 config_type=crystal 
Hf       2.92130874       3.01867299      -4.16284079      -2.20676350      -0.12354506       0.45274618 
Hf       2.82581778       2.10852057      -9.40524262       0.23816339       1.11214116      -0.88387059 
Hf       8.01511928       2.91882922      -4.18981206      -0.22805565       0.44965258       0.90514820 
Hf       8.00847915       2.10234467      -9.45114929       0.22759718      -0.53210705      -0.13921892 
Hf       2.81925485       8.11812435      -4.19790602      -1.33002155      -0.25998619       0.04225566 
Hf       2.85233526       7.24828780      -9.43314268      -0.89305549       0.80666164       0.67105438 
Hf       7.96892590       8.11895604      -4.23429611       0.45793842       1.15058190       1.04022982 
Hf       8.06662958       7.31868740      -9.40996474      -0.30832421       0.09050066       0.73023914 
Hf       0.36200214       0.73650697      -3.65163881      -1.78123156      -0.38262573      -0.46693289 
Hf       0.21124602      -0.08321588      -8.96191548       0.40302897      -0.48170747      -0.06543660 
Hf       5.39602931       0.72337760      -3.68861631       0.46201256       0.39071505      -0.13780956 
Hf       5.33717421      -0.10789224      -8.90725017       0.91968926      -0.68974713      -1.73896557 
Hf       0.20011448       5.88879519      -3.75166434       0.40975149      -0.25146273      -0.05149930 
Hf       0.27950216       5.01135380      -8.97000923      -0.19676165       0.29033549       0.04803391 
Hf       5.41939272       5.94999416      -3.71440921       0.12568035      -0.59114511      -0.22838489 
Hf       5.48731740       5.10205996      -8.87655665      -0.20201952      -0.05736228      -0.51966074 
Hf       2.40351608       1.33397339      -1.06034865      -0.18259399      -1.18816249       0.19944192 
Hf       2.36827719       0.38256685      -6.32779050      -0.86395112      -1.16130630      -0.46552845 
Hf       7.54893532       1.23769605      -1.09603069      -0.28837735       0.66767722       0.21071068 
Hf       7.56474716       0.38581989      -6.36705019      -0.20766956      -0.86376059       0.09122332 
Hf       2.29546751       6.42000716      -1.17795888      -0.26622528      -0.93904020       0.64971675 
Hf       2.36661578       5.47673152      -6.39917736       0.05505489       0.62769248       0.73846750 
Hf       7.54164195       6.37823998      -1.00467886       0.91143189      -0.11086103      -0.71705843 
Hf       7.63612808       5.48394077      -6.31334820      -0.53171737       0.34043043      -0.85058257 
Hf       4.94098540       3.51144775      -1.51424652       0.09351680      -0.29538096       0.38168821 
Hf       4.95590701       2.58835225      -6.78303307       0.49846908      -0.41380181      -1.16693342 
Hf      10.15683609       3.44176738      -1.57224986       0.13499501      -0.22587241       0.09817498 
Hf      10.13750847       2.53781365      -6.79277436       1.05652420       0.10236093      -0.00020649 
Hf       4.94473484       8.55879287      -1.49182452       0.56464963       1.35419148       0.33090064 
Hf       4.94991441       7.76070196      -6.74145800       0.19241447      -0.87989798      -1.17569815 
Hf      10.12734427       8.59792483      -1.58062439      -0.00057079       0.18177345       0.10230839 
Hf      10.13347465       7.73114310      -6.71600206       0.61419479       0.64479215      -1.47941446 
O       1.36928181       2.31776542      -2.69426352       0.49956697       0.72896867      -0.31672419 
O       1.43398654       1.53678955      -7.92095175      -0.99720918      -0.11464349      -0.09750741 
O       6.55179356       2.32555232      -2.71523276       0.13594120       0.44484863      -0.74657892 
O       6.50792231       1.42411552      -8.06979901       0.44223559       0.74599619       1.03388870 
O       1.29925496       7.47104316      -2.77698891       0.31520387       0.41660687      -0.49184734 
O       1.36311215       6.65367116      -7.89452808      -0.00458573      -0.40837353      -1.39175550 
O       6.50330029       7.57034672      -2.78038826      -0.09015850      -0.58356234       0.23050898 
O       6.60718495       6.63697037      -7.96508098      -0.42599614      -0.30943666       0.34018831 
O       3.86962484       1.30211924      -5.14185222       0.29669813       0.54604935       0.20578271 
O       3.95334890       2.39643042      -0.00289260      -0.20236914       0.14727870       1.34833217 
O       9.04743353       1.37269738      -5.14954590       0.23464645       0.28025619      -0.33316528 
O       9.13668357       0.56552951     -10.43928647      -0.05494459      -0.29926529       0.46653474 
O       3.81113974       6.45867009      -5.14845121       1.64394536       0.66411686       1.24802845 
O       4.02650655       5.78830895     -10.29883611      -0.23604381      -0.75544359      -0.90997562 
O       9.17218336       6.60201084      -5.09887070      -1.16502928      -0.21942169      -0.34522185 
O       9.18045113       5.70892049     -10.27229735      -0.68027970      -0.07152268      -0.96237531 
O       3.87984982       1.89408220      -2.50826508       0.21586383      -0.02218156      -0.57239294 
O       3.83497622       0.90036581      -7.81952376       0.35133336       0.76465355       0.35162685 
O       9.08929801       1.86441423      -2.52411099      -0.27523849      -0.67142620       0.05491339 
O       9.07544473       0.96252711      -7.75086674      -0.50057808       0.42934384      -0.08216630 
O       3.80363368       7.00775866      -2.42490072       0.83813140       0.21414711      -0.83214270 
O       3.92868681       6.13976439      -7.70653705      -0.12103496      -0.67194364      -0.20360595 
O       9.05857016       6.92380235      -2.38092763      -0.50941267       0.69438421      -0.63404056 
O       9.04331098       6.22902722      -7.73972236       0.78801454      -0.61025074       0.29553858 
O       1.27014208       2.82565304      -0.09584923      -0.11887640       0.38365575       0.23047708 
O       1.17978703       1.81070164      -5.25185593       0.39264651       0.96350712      -1.05643205 
O       6.42425477       2.85088503      -0.12452381       0.24967302      -0.09437016       0.03912685 
O       6.32276902       1.96247677      -5.34548608       0.68236625      -0.56363713      -0.22986592 
O       1.17400920       7.99879617      -0.20395927       1.34024402      -0.47251030       0.79886539 
O       1.22115090       7.03255727      -5.39131462       0.17652006      -0.14754725       0.41290296 
O       6.51645742       8.04835185      -0.04826394      -0.49059736      -0.98197196      -0.86127222 
O       6.42366907       6.99533286      -5.38840669      -0.27029408       0.44352887       0.80185926 
O       3.37613362       3.58452635      -6.10604219       0.46903643       0.76978290       0.00250071 
O       8.66079330       4.59599597      -0.90490944      -1.13537078       1.04757202       0.89295706 
O       8.67272469       3.76315061      -6.18802729       0.41875925      -0.66574566       0.76925302 
O       3.57167502       9.90988939      -0.69419189       0.15907961      -0.50557865      -1.01925641 
O       3.32465522       8.74452704      -6.16291787       0.30336819       0.97025024       0.47743695 
O       8.63072795       9.86181893      -0.86133642       0.99240965      -1.23415486       0.01362503 
O       8.45152435       8.81791096      -6.18953539       0.56504763       0.04416084       0.49161629 
O       1.02154191      -0.00323534      -1.84848770      -0.57052121      -0.51413301      -0.03542779 
O       0.77685804      -0.81063170      -7.09344517       0.60483674       0.38674133       0.75008924 
O       6.09087353       0.05169470      -1.90801079      -0.44030282      -1.07863012       1.09886600 
O       5.99774677      -0.80377998      -7.07578508      -0.19796930      -0.14605023       0.90559914 
O       0.81767143       5.21624778      -1.93809854       0.90156875      -0.68096861       1.49096607 
O       0.95730578       4.28862228      -7.10517107      -1.39327552      -1.25760618      -0.43124095 
O       5.93994120       5.28568070      -1.77830316       0.73671421       0.20743096       0.31840708 
O       6.13637243       4.26296620      -6.97256663      -1.14758169      -0.21565599      -0.95710861 
O       1.68321584      -0.50407451      -4.55508667       0.56035743      -0.21196158       0.60791429 
O       1.67119417      -1.32647505      -9.66823912       0.44702409       0.36730404      -0.47293633 
O       6.96817913      -0.40612245      -4.42116673      -0.48633608       0.38597104      -0.47663228 
O       6.89120232      -1.31218279      -9.60500155      -0.06388974       0.77726726      -0.96562372 
O       1.68870649       4.69726292      -4.50889849       0.24826730      -0.45893121       0.24395457 
O       1.84949724       3.93665603      -9.77762613      -0.58483140      -0.44190530       0.50645377 
O       6.96826599       4.68222015      -4.48979194      -0.91690482       0.75114893       1.15836585 
O       7.05293578       3.87475440      -9.61350293      -0.74253532       0.46519111      -0.12093715 
O       4.24523889       4.26663164      -3.34130295       0.50987665       0.25223129      -0.73300362 
O       4.33761162       3.36239764      -8.82709564       0.39728483      -0.56427944       1.19754883 
O       9.48635689       4.09913602      -3.42273393       0.23631256       0.91000344      -1.10083116 
O       9.59495782       3.22518939      -8.74059140       0.37846299       0.48738930       0.06576114 
O       4.28850646       9.28827609      -3.42818983       0.00329299       0.03736885      -0.08873932 
O       4.33188823       8.36554307      -8.70864190       0.44838870       0.92991351       0.72672484 
O       9.64746039       9.21560546      -3.55445611      -0.91952314       0.05077786       0.32243886 
O       9.50389925       8.54632353      -8.69613948      -0.07552437      -0.54498493      -0.05462185 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0009649791352142043 0.0008052607766525713 -0.005088134207032365 0.0008052607766525713 -0.007857323310406403 0.001947429752433946 -0.005088134207032365 0.001947429752433946 -0.008648703051902629" pbc="T T T" energy=-961.34509117 free_energy=-961.34509117 config_type=crystal 
Hf       2.86126697       3.05341393      -4.07188356      -0.73621325      -1.67511347      -0.71603149 
Hf       2.78003221       2.15336058      -9.41680398       0.18614118       0.57104276       0.44083276 
Hf       8.04375192       3.01703512      -4.13320257      -0.30119122      -0.93657376      -0.18436872 
Hf       7.94527665       2.05292654      -9.44761962       0.66502829       1.06121632       0.92693817 
Hf       2.78935678       8.18398721      -4.10483493       0.29372257      -0.76873075      -0.46535480 
Hf       2.86092793       7.32623630      -9.38350998      -0.81737453      -1.61305925      -0.54482398 
Hf       8.01716949       8.16881990      -4.20438299      -0.43448851       0.24524082      -0.13033719 
Hf       7.95991450       7.26343961      -9.34919795       1.02295270       1.19545106      -0.89731501 
Hf       0.25918456       0.80701176      -3.70719709      -0.47073340      -0.10312096      -0.49589651 
Hf       0.24238439      -0.06311864      -8.94346606      -0.89076166      -1.52530904       0.02265169 
Hf       5.37481004       0.82801655      -3.68819429       0.84883326      -0.60605877      -0.22722483 
Hf       5.35970213      -0.05695387      -9.00860844       0.81502032       0.41258830       0.96032747 
Hf       0.19727222       5.92307282      -3.79280479       0.48331816      -0.49601086       0.26290357 
Hf       0.13722837       5.04536497      -9.01452740       1.93868066      -0.69058027      -0.00497486 
Hf       5.38615229       5.95076341      -3.72339361       0.87756611       0.11339250       0.24214866 
Hf       5.42848080       5.03759190      -9.04372334      -0.59092604      -1.26793003       0.90361488 
Hf       2.35732571       1.22819298      -1.04207575       0.18550207       0.13452981      -0.66355801 
Hf       2.40628769       0.28090108      -6.32950367      -0.67184929       0.43087032      -0.37844454 
Hf       7.63589918       1.17155325      -0.98745727       0.12173255       1.66181562      -1.14592687 
Hf       7.55859351       0.30935266      -6.37242145      -0.26339715       0.19466335       0.21389565 
Hf       2.38434817       6.30391855      -1.19522709       0.88372678       0.52997941       1.76221295 
Hf       2.37744008       5.44500165      -6.26804375      -0.24223696      -0.04597206      -1.20229199 
Hf       7.58301548       6.42940662      -1.06627634       0.46411173      -0.87981786      -0.62944750 
Hf       7.56260198       5.40438884      -6.38917429       0.30499912       0.18052188       0.58068327 
Hf       4.96593801       3.54253695      -1.52132990      -0.27046992      -0.50909843       0.60283369 
Hf       4.99369111       2.56160304      -6.77740434      -0.29790390      -0.50796225      -0.03031851 
Hf      10.19499185       3.46895187      -1.49987290      -0.05280148       0.47916563      -0.21277692 
Hf      10.11631955       2.55874887      -6.83145305       1.27787191      -0.44734854       0.89177003 
Hf       5.06886604       8.65599229      -1.52390191      -1.49057468      -0.59203615       0.16064492 
Hf       4.94379359       7.71881898      -6.76539314       1.29900373      -0.29057885      -0.64016014 
Hf      10.20801982       8.56212267      -1.56092698       0.04376410       0.95962162      -0.28364823 
Hf      10.14645202       7.64035816      -6.83781116       0.54018713       1.09838849       0.01186791 
O       1.42771215       2.31744110      -2.69374195      -0.62084110       0.32715816      -0.14020843 
O       1.22348830       1.43997693      -8.02387449       1.47512872       0.59254948       0.38145264 
O       6.56508732       2.32946006      -2.77558005      -0.03271730       0.19319024       0.07882555 
O       6.50324283       1.53835725      -7.98412464       0.12038368      -0.56359112      -0.39906527 
O       1.31026805       7.45630790      -2.77432628      -0.16154098       0.48459975      -0.34315163 
O       1.29653062       6.50368764      -8.02065670       0.22529975       0.77375306      -0.11752180 
O       6.47692536       7.53206638      -2.71454865       0.30789725      -0.11128026      -0.54655943 
O       6.46366339       6.53297517      -8.06567323       0.10676694       0.63590767       0.25267248 
O       3.88209433       1.32535308      -5.06815775       0.63928023       0.54391188       0.19827907 
O       3.94707254       0.70478979     -10.42087821      -0.14892545      -0.32822222       0.08274849 
O       9.11759338       1.42000534      -5.09662368       0.09938252      -0.15116725      -0.25223879 
O       9.17902714       0.69050219     -10.34038703      -0.05408173      -1.33580213      -0.57859866 
O       3.93315370       6.56865826      -5.03612551      -0.29398412       0.32213558      -0.95268165 
O       4.05512766       5.63534202     -10.43081208      -0.39888678       0.99494710       0.13398955 
O       9.20665472       6.52752098      -5.21676203      -0.92008006       0.05008044       0.10215427 
O       9.22110285       7.57485326      -0.00072181      -1.06189038      -0.68053464       0.83730474 
O       3.88947955       1.91877603      -2.40159720       0.48234181      -0.01011863      -0.88071257 
O       3.88932941       0.92692743      -7.79605580      -0.62987083       0.43103407       0.78004899 
O       9.20056767       1.85541782      -2.45241425      -0.92648874       0.33699282       0.46482918 
O       9.05417112       0.89009144      -7.77518200      -0.52912782       0.49962107       0.16756375 
O       3.87586286       6.97410042      -2.52277447      -0.15583188       0.29406718       0.40160193 
O       3.82108886       6.18718581      -7.69802958       0.35270350      -0.00151034      -0.43131357 
O       8.99639162       7.04532886      -2.58763533       0.58083428      -0.53575705       0.18803540 
O       8.99398980       6.17461411      -7.88519610      -0.24838740      -1.56706906       1.06856551 
O       1.25847066       2.85637606      -0.08369397       0.19068233      -0.78229148      -0.31136667 
O       1.32003524       1.81769848      -5.38027609      -0.72509346       0.74535810       0.10284057 
O       6.46009069       2.82555123      -0.09751547      -0.11437952       0.11972602      -0.42172294 
O       6.44721732       1.88127171      -5.41474647      -0.17734422       0.23141028       0.73044639 
O       1.32897266       7.81123264      -0.16129466      -0.31658075       1.17061496      -0.35002033 
O       1.25014273       7.11400357      -5.41487499       0.74563960      -0.89394276       0.55518484 
O       6.56530645       8.02816496      -0.13570127      -0.16479514      -0.21981231       0.07302076 
O       6.46702850       6.99466967      -5.48465831      -0.10762589       0.15832464       0.76448173 
O       3.51544545       3.70409568      -5.94725350       0.19083572       0.61861428      -0.42305171 
O       8.80416067       4.75938900      -0.66696398      -0.24207067       0.27564103      -1.39749721 
O       8.76000483       3.72109802      -5.96128858      -1.05921782       1.14657401      -0.83288404 
O       3.50256221       9.87588098      -0.77329112       0.80010581      -0.89906443       0.45044139 
O       3.59442011       8.89673173      -6.06914555      -1.45576775       0.70945981       1.47519847 
O       8.75056015       9.91821441      -0.69100402       1.02586764      -1.54704563      -0.41038977 
O       8.59420886       8.86527912      -6.06521224       0.94473228      -0.55020887      -0.16059959 
O       0.97454234      -0.03319556      -1.90225805      -0.18976265      -0.22787021       0.45798562 
O       0.89203997      -0.90103489      -7.09496901       0.33056275      -0.02027620       0.11279608 
O       6.14462190       0.07324053      -1.72151536      -0.74594311      -0.51860591      -0.63037196 
O       6.11475750      -0.86617081      -7.15839307      -0.47847401      -0.36262470       0.10945310 
O       0.96539161       5.17490460      -1.89462643      -1.13560335      -1.13836862      -0.35021051 
O       0.84878891       4.30842240      -7.00819848      -0.09991854      -0.47744168      -0.28267358 
O       6.13660184       5.15405678      -1.78810902       0.03045193       0.47551318      -0.49972625 
O       6.19566703       4.20262416      -7.13801501      -0.67651938      -0.14359569      -0.00055162 
O       1.66547015      -0.47676690      -4.48385165       0.24096214      -0.25581065      -0.03237066 
O       1.67272538      -1.39166202      -9.72606731      -0.62194716       1.03972000      -0.01217748 
O       6.84956425      -0.44003469      -4.49936458      -0.63158756      -0.00960732       0.67382863 
O       7.04306001      -1.17814643      -9.57891064      -0.68758132      -0.51105222      -0.09353748 
O       1.79328741       4.71192762      -4.43067679      -1.35489959       0.98722665       0.27649225 
O       1.70287064       3.82129720      -9.75299470      -0.01367845      -0.28032740       0.05339643 
O       6.93048844       4.73894428      -4.46670504      -0.33982466      -0.03241132       0.13540332 
O       6.89176152       3.83802129      -9.74662798      -0.13666049       0.31209963       0.01804772 
O       4.20391990       4.31845361      -3.37439617       1.24202251      -0.12092635       0.91853724 
O       4.23639124       3.30591646      -8.55075174       0.24898993       0.93581079      -1.03884038 
O       9.57689242       4.11700555      -3.50369576       0.53539599       1.09592986       1.06702381 
O       9.49295920       3.28729804      -8.66449397      -0.44413366       0.27234635       0.21142055 
O       4.21979690       9.33802885      -3.29307985       0.87355986       1.09538020      -0.48822312 
O       4.16674582       8.63759236      -8.65590376       0.61357587      -1.11429229       0.08025323 
O       9.39089409       9.40063688      -3.41584597       0.82273807       0.02719733       0.40289585 
O       9.53042525       8.38004391      -8.64927380       0.13185609       1.12674359      -0.41979208 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0011609735692380914 -0.002155687971701553 -0.0019753089883559486 -0.002155687971701553 -0.006319574869931843 0.004823788332487943 -0.0019753089883559486 0.004823788332487943 -0.00782847506770959" pbc="T T T" energy=-961.45389963 free_energy=-961.45389963 config_type=crystal 
Hf       2.78859174       3.02446110      -4.15406461       0.51696214      -1.03223449       0.45068737 
Hf       2.81279219       2.16326840      -9.37499285      -0.34428977      -1.38040542      -0.68753652 
Hf       8.01865666       3.06973209      -4.14250997      -0.34101411      -0.25517892      -0.42478831 
Hf       8.02388339       2.17879348      -9.37167351      -0.19992217      -0.46203407      -0.59396539 
Hf       2.79890359       8.20158144      -4.16961513       0.05484351      -1.40282265       0.53023361 
Hf       2.79009262       7.32605739      -9.34673431       0.35602007       0.60340276      -0.91359212 
Hf       8.07193404       8.13089967      -4.06513169      -1.12979429       0.32852297      -1.43534188 
Hf       7.93503504       7.19623057      -9.46055676       0.13672540       1.29279176       0.41802892 
Hf       0.14754073       0.80933070      -3.73039446       0.20989477      -0.58746364      -0.34328435 
Hf       0.22250069      -0.07900500      -8.98778672      -0.92811938      -0.79040140       0.37163125 
Hf       5.41066040       0.81748703      -3.72161419      -0.20407642      -0.38649188      -0.44715141 
Hf       5.44254842      -0.05137382      -8.97737844       0.52148841      -1.12786180      -0.64576010 
Hf       0.26628383       5.96302230      -3.67937747       0.32120449      -0.56718219       0.00847885 
Hf       0.14210692       5.04681737      -9.01226747       1.39194417       0.51567050       0.54224103 
Hf       5.40666741       5.89747819      -3.66606956      -0.11503517       1.12479387      -0.79510507 
Hf       5.30924510       5.00192905      -9.08256227       1.74689233       0.01024777       0.98148019 
Hf       2.29483858       1.19780859      -1.12108677       1.58302735       0.68569751      -0.25859543 
Hf       2.43342070       0.28832879      -6.37292527      -1.07727304      -0.31982927       0.63063410 
Hf       7.60890083       1.22321410      -1.14706154      -1.98249782       0.22073109       0.98202039 
Hf       7.61324335       0.28574704      -6.31237417      -0.23462617      -0.01613214       0.35890736 
Hf       2.45817018       6.29775276      -0.98565442      -0.29074510       1.55157001      -1.63449650 
Hf       2.42797494       5.47516420      -6.31979483      -0.66362690      -0.86459802       0.21648921 
Hf       7.58810330       6.35177963      -1.12539453      -0.59358685       0.52826255      -0.21077511 
Hf       7.58416424       5.48497540      -6.34003061      -0.28542517      -0.60427235      -0.53561709 
Hf       4.90197494       3.48100289      -1.50598970       0.75588818      -0.04045896      -0.55956494 
Hf       5.02540624       2.54835637      -6.79053532       0.33117376      -0.28416106       0.45214331 
Hf      10.17755309       3.49179557      -1.50073573       0.56189221       0.41028990       0.14184713 
Hf      10.18991328       2.56246229      -6.80291771      -0.05627105      -0.17852234       0.82762025 
Hf       4.96114902       8.58969943      -1.57958347      -0.38608861       0.90705822       0.17072589 
Hf       4.95514841       7.65458239      -6.80371702       1.59411362       0.94034088      -0.10976744 
Hf      10.18651388       8.67865546      -1.47550388      -0.17229164      -1.48178350      -0.55787870 
Hf      10.25078430       7.67981261      -6.81015745      -1.28694216       0.63153426      -0.21031835 
O       1.30657201       2.35110958      -2.80933806      -0.25242626      -0.24253539       0.93716718 
O       1.25648684       1.40647605      -7.98225658       1.40202499       0.53797673       0.08464760 
O       6.51684383       2.39128236      -2.82840471       0.44260120       0.32214977       0.77927504 
O       6.60369091       1.40390105      -7.99822346      -0.69275442       1.02147613       0.07772525 
O       1.37430032       7.51536384      -2.69124764      -0.50834462       0.07833190      -0.40856064 
O       1.39159195       6.54436017      -7.99915559      -0.89272764       0.10424726       0.58733027 
O       6.50670820       7.51321152      -2.78978524       0.33444214       0.05104418       0.18527924 
O       6.42450476       6.57131180      -8.17802697       0.10577460      -0.28390041       0.91721183 
O       3.83949953       1.37302642      -5.11265451       0.39896308      -0.20194972      -0.53717061 
O       3.97253406       2.40523183      -0.00981164      -0.63568385       0.35375424       1.37566176 
O       9.03388365       1.49513881      -5.06832408       0.36814963      -0.50634977       0.20362783 
O       9.18870227       0.60834064     -10.35935654      -0.73479000       0.05838043      -0.08924507 
O       3.90839892       6.56556478      -5.03419361       0.10409630      -0.27887956      -0.99422450 
O       3.90114536       5.81625566     -10.31724699      -0.12050672      -0.76943397      -0.45874406 
O       9.11277706       6.55627843      -5.01862229       0.43755983      -0.16470324      -0.93782818 
O       9.09806326       5.64609034     -10.42071209       0.26883752       0.41672626       0.41974110 
O       3.80442833       1.90287205      -2.53929483       0.17292336       0.45812899       0.13095258 
O       3.88663697       0.89077357      -7.78185229       0.01515191       0.88117287      -0.01275332 
O       9.09844074       1.91537586      -2.36918945      -0.12354336      -0.40428454      -1.07274924 
O       9.05694304       1.03940557      -7.72958646      -0.02146216      -0.28460368      -0.08900482 
O       3.87773519       6.98075675      -2.45128869       0.27375520       0.18574729       0.53507606 
O       3.83348739       6.19215374      -7.73158620       0.12742682      -0.98022752       0.10353638 
O       9.08060372       7.08825598      -2.48747539       0.28580088      -0.63875857       0.19770535 
O       9.00069009       6.11130352      -7.78678672       0.49697627       0.11827504       0.15049735 
O       1.29536514       2.83859102      -0.14287148      -0.04814336       0.00697444       0.04410286 
O       1.10923163       1.78439265      -5.28275747       1.38380379       0.55726986      -1.50455494 
O       6.48773126       2.89677897      -0.15978089       0.14885423      -0.43728421       0.06323991 
O       6.47623472       1.89582670      -5.29778308      -0.89527950       0.14441711      -1.26063651 
O       1.27252177       8.03827711      -0.05403570      -0.45852980      -0.69418905      -0.28727083 
O       1.26131937       6.99483259      -5.37778892      -0.03450594      -0.38411873       0.13432071 
O       6.43210350       7.85250969      -0.20414481      -0.31576898       0.72881327      -0.05010109 
O       6.49565127       7.03288013      -5.47155999      -0.43265809       0.34946928       0.03649095 
O       3.55930860       3.68771117      -6.00266908      -0.46358466       1.02089378      -0.33969053 
O       8.74279175       4.78306351      -0.74720829       0.74888590      -1.28680942      -0.37185142 
O       8.73467194       3.74829326      -6.12107808      -0.98217715       0.85841775       0.86269164 
O       3.48117316       9.81674080      -0.79733536      -0.34827936       0.29465166       0.10380860 
O       3.48561813       8.79778816      -6.12017188      -0.44065768       1.06492530       0.45267348 
O       8.52778953       9.72119803      -0.88792506       0.48240522       0.05592231       0.14365132 
O       8.81962715       8.97752392      -6.02143079       0.07445770      -0.82398783       0.27114745 
O       0.84939217       0.03919282      -1.84812018      -0.02179265       0.16158539      -0.28638384 
O       0.97705482      -0.98377574      -7.14591575       0.15832363       0.47263272      -0.44459097 
O       5.93859295       0.16741295      -1.87973440       0.87806821      -0.85177115       1.21366908 
O       6.19860957      -0.86994444      -7.19198308      -0.56244040      -0.79425389       1.03274840 
O       1.06185895       5.15264918      -1.82019650      -0.92615937      -0.50510972      -0.41518854 
O       0.91517427       4.22445162      -7.08901833       0.75613742       0.78494793      -0.08996588 
O       6.08750147       5.18455928      -1.83637160      -0.25561429      -0.55707928       0.25697116 
O       6.18730285       4.16433080      -7.15934044      -0.31245771       0.65701234       0.21565319 
O       1.60375845      -0.58859888      -4.59570787      -0.71295311       1.51515864       0.56937275 
O       1.60900815      -1.27914530      -9.78253830       0.80903523      -0.65683654       0.24505504 
O       6.90821497      -0.44732986      -4.34060603      -0.07180914       0.09774781      -1.04369677 
O       6.90902001      -1.29719660      -9.72804552       0.09696501      -0.00762488      -0.57016494 
O       1.70181863       4.63891679      -4.42234584      -0.64790489       1.46143439      -0.72042121 
O       1.70520410       3.80977218      -9.77404322      -0.25645796      -0.03712256       1.09733243 
O       6.92137480       4.80652663      -4.44273609       0.56734248      -1.02330450      -0.24326076 
O       6.84788435       3.82533015      -9.75888017       0.06969395      -0.25332808       0.40049183 
O       4.24210922       4.30716722      -3.40534276      -0.39771746      -1.25496736       0.82569628 
O       4.18712202       3.35247342      -8.60570582       0.45420737      -0.06036920       0.08617159 
O       9.57673771       4.12260103      -3.42420906       0.15211556       1.33828637       0.31628631 
O       9.58208247       3.33825716      -8.73264246      -0.72200425      -0.71779010       0.12627987 
O       4.21319522       9.34738988      -3.42950587       0.77067220       0.50910973       0.17961905 
O       4.32500508       8.50644173      -8.64063150      -0.57927207      -0.03910998      -0.55495567 
O       9.41127912       9.39275189      -3.38020153       1.14208093       0.59046525       0.43417520 
O       9.47724741       8.42864427      -8.74066816       0.16236930      -0.15941906       0.22374043 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.001464499487471238 0.006178805882872612 -0.001568755184272378 0.006178805882872612 -0.003979642723045282 0.0019337130000393026 -0.001568755184272378 0.0019337130000393026 -0.0019560880675160083" pbc="T T T" energy=-961.76687244 free_energy=-961.76687244 config_type=crystal 
Hf       2.72329268       2.98104419      -4.17029190       0.99543382       0.52640752      -0.54205044 
Hf       2.84658569       2.12300153      -9.40193063      -0.63645714      -0.38019787      -0.66723135 
Hf       8.02806590       3.00154551      -4.09036659       0.03504842       0.60051325      -1.23913416 
Hf       8.01620922       2.13167248      -9.41269594      -0.51684809       0.50897983      -0.51900632 
Hf       2.73597144       8.14379103      -4.19103076       1.30926461      -0.02620012       0.77798976 
Hf       2.83452692       7.28681695      -9.45199721      -0.41926757       0.22959848       0.67981202 
Hf       7.98185091       8.19065813      -4.24936477       1.00482952      -1.33622506       2.00573443 
Hf       7.95976581       7.26185496      -9.43400068       0.71654269      -0.56522083      -0.41643475 
Hf       0.17631042       0.79274643      -3.77904556       1.25500696      -0.50181195       1.21099050 
Hf       0.14909845      -0.03662448      -8.94653738       1.89630311      -1.39681720      -0.44184391 
Hf       5.39683185       0.76628743      -3.72057956      -0.06177154      -0.43299860       0.16862427 
Hf       5.49321535      -0.09753288      -8.90187933      -0.81721566      -0.34293522      -0.75598874 
Hf       0.24477135       5.95521474      -3.69526979      -0.73966305       0.66157116      -0.51693490 
Hf       0.17131227       5.07685416      -8.88578519       1.38992519       0.56523163      -1.53134009 
Hf       5.42547374       5.85126113      -3.66035125      -1.09919953       1.49511307      -0.02260564 
Hf       5.32601337       5.00472851      -8.94483051       0.86168044      -0.17010951      -0.69254723 
Hf       2.38882005       1.24404132      -1.10058217      -0.92709640       0.26272753       0.14254071 
Hf       2.48487251       0.24242313      -6.33100420      -1.55834868       1.26689463      -0.93988586 
Hf       7.63836438       1.23388635      -1.09081925      -0.95917698       0.10462595       0.03295681 
Hf       7.64517064       0.34863156      -6.31069565      -1.02248463       0.31053747      -0.49393867 
Hf       2.38089849       6.33384133      -1.06609310       1.03471826       0.46835972       0.39279447 
Hf       2.39109292       5.55195741      -6.30257460       0.42777903      -1.00301347      -0.68118183 
Hf       7.51377051       6.34749255      -1.03517802       0.20198944       2.07329685      -1.41159686 
Hf       7.55896195       5.47092236      -6.36925405       0.72986782      -0.50466520       0.52069321 
Hf       4.91287488       3.45266819      -1.54426549       0.02705007       0.14944230       0.49256288 
Hf       5.01548995       2.56532090      -6.74499701      -0.87730687      -0.12829255      -0.67811075 
Hf      10.18595780       3.49201041      -1.57906464       0.37806912       0.16053467       1.02557331 
Hf      10.18422771       2.58253927      -6.82132755       0.67810793       0.43405395       0.13559066 
Hf       4.95042156       8.63165664      -1.53195061       0.20468124      -0.84333212      -0.51677083 
Hf       5.03108495       7.68481191      -6.75751948      -0.50048780       0.05795282      -0.40185832 
Hf      10.20372821       8.59393312      -1.57799547      -0.63663505       0.21961613       0.27939093 
Hf      10.18546976       7.70306829      -6.83977088      -0.19436585       0.48344760       0.58075766 
O       1.34507896       2.39409905      -2.73107626      -0.77530938       0.15525998      -0.61599634 
O       1.32845387       1.48797162      -8.03076477      -0.21131228      -0.27887018      -0.02556533 
O       6.50904020       2.33469359      -2.79209999       0.36827797      -0.13440896       0.14029778 
O       6.54221818       1.44788191      -7.95306989       0.64400381       0.07206119      -0.38930117 
O       1.30347539       7.66660100      -2.82132490      -0.62630539      -0.98797543       0.44922269 
O       1.34424774       6.69651169      -7.92290948       0.11905871      -0.57561307      -0.69495208 
O       6.52320550       7.56147551      -2.69541469      -0.34331823      -0.49552883      -0.66007088 
O       6.53700090       6.59039360      -7.95605164      -0.18988540       0.02334562      -0.35651453 
O       3.96913872       1.44105558      -5.20126474      -0.17372087      -0.25224758       0.82936818 
O       3.94886476       0.61751142     -10.48432358       0.20320254      -0.25651007       0.80490827 
O       9.14947236       1.45768715      -5.12940147      -0.91883326       0.20289990      -0.41861418 
O       9.11504734       0.61138151     -10.41049985       0.12402755       0.05645638      -0.10657232 
O       3.95900506       6.56076590      -5.09599449       0.06523163       0.13419102      -0.50829332 
O       3.97200031       5.62990379     -10.39754853      -0.57475586       0.64939385      -0.06572411 
O       9.15929223       6.55356289      -5.16373051      -0.29375577       0.37208404      -0.37846183 
O       9.13287490       5.71062872     -10.45369873      -0.50407480       0.44078812       0.54305862 
O       3.79922882       1.89368787      -2.57481359       0.56061422      -0.57597552       0.03013473 
O       3.90552871       0.97151474      -7.76021541       0.01667584      -0.58901332       0.24800344 
O       9.07435531       1.90727757      -2.53555326      -0.13029998       0.38552247       0.19279241 
O       9.06900888       0.99705504      -7.82032947      -0.11026962       0.54686377       0.45514853 
O       3.79976133       6.93690553      -2.50806189       0.10079174       0.56958672       0.11624853 
O       3.89032147       6.15144552      -7.76785711      -0.19950635      -0.41760352       0.03952329 
O       9.00586695       6.97433860      -2.53269322       0.83107746       0.56596451      -0.28582556 
O       9.00591713       6.14916276      -7.80987016       0.19406777      -0.28918799       0.26194704 
O       1.23810599       2.77056303      -0.14574885      -0.31020335       0.27515691       0.17324086 
O       1.22025266       1.86474721      -5.46523265       0.55795416       0.41747827       0.85218291 
O       6.47311222       2.77279164      -0.10549948       0.02225735       0.44453651       0.09632095 
O       6.48136814       1.87924655      -5.43621040       0.41269792       0.14755268       1.31337617 
O       1.20936270       7.86682854      -0.06181726       0.64414043       0.75380495      -0.32862206 
O       1.26921038       7.06638158      -5.41707403      -0.08250067       0.24288780       1.09959920 
O       6.42260074       8.01651321      -0.13855291       0.32439751      -0.18347500       1.01513791 
O       6.51445084       7.01923194      -5.37697219      -0.13262884      -0.20707747       0.15189326 
O       3.50265468       3.79303532      -6.09827501      -0.03590205      -0.10187024       0.48948974 
O       8.64634529       4.77593080      -0.79864971       1.65344828      -2.28742716      -0.10674554 
O       8.80401053       3.82059389      -6.01522505      -1.08442920       0.06970895       0.41060405 
O       3.43451388       9.83256236      -0.81871791       0.66215960      -0.94845885       0.18503140 
O       3.37844442       8.79624539      -6.14790561       0.89083634      -0.37812018       0.45104080 
O       8.78074105       9.91679122      -0.91144710      -0.39335001      -0.76653489       1.39218045 
O       8.78062374       9.05169328      -5.95873232       0.76619073      -1.26606899      -0.47670802 
O       0.92401226       0.07752216      -1.87301056      -0.39284839      -0.43985938       0.29317964 
O       0.92236415      -0.90900461      -7.10072050      -0.10754278       0.85533275       0.16687923 
O       6.06732008       0.07205622      -1.74869382      -0.33677070      -0.02621337      -0.69301434 
O       6.15471306      -0.91429906      -6.96877067      -0.41125933       0.29476981      -1.07044510 
O       1.02967127       5.18887364      -1.89042672      -1.22030311      -0.77781877      -0.09614186 
O       0.91849231       4.30884054      -7.09080186       0.05134200      -0.05983165       0.15487054 
O       5.99835034       5.20458950      -1.81612899       0.04923958      -0.70803402       0.57898294 
O       6.13814730       4.23258084      -7.15016103       0.10561342       0.14733931       0.56252532 
O       1.81104993      -0.31018902      -4.35763136       0.04865038      -0.37391508      -0.97156325 
O       1.76734689      -1.30305868      -9.64475845      -0.69464608       0.48474439      -0.27307369 
O       6.83905415      -0.51601736      -4.52590681      -0.80646714       1.58627397       0.67805229 
O       7.01067741      -1.28403465      -9.63110107      -0.50736524       0.44096553      -0.32046057 
O       1.70532764       4.75218674      -4.44533309       0.17030558      -0.24839271      -0.33842778 
O       1.78652197       3.81478855      -9.74202515      -0.46930142      -0.05815081       0.74935239 
O       6.76769631       4.59795239      -4.39363262       1.27466814      -0.03675062      -1.08743479 
O       6.88968949       3.79813921      -9.75563811      -0.84885977       0.49112434       1.09405939 
O       4.21663752       4.19488353      -3.34909449      -0.18184491       0.11696092      -0.39908155 
O       4.36857875       3.18932752      -8.72070487       0.59911422       1.27934084       0.24336350 
O       9.56978566       4.24061008      -3.39044810      -0.94585042      -0.39316307      -0.40974778 
O       9.48104548       3.46283548      -8.68260559      -0.90428536      -2.00653533       0.17139582 
O       4.27301246       9.28754885      -3.41789653       0.58920022       0.84548608      -0.29483230 
O       4.35409790       8.45681400      -8.69117901       0.45985998       0.15897352       0.15440681 
O       9.45509270       9.43846046      -3.38875835      -0.19561385      -0.64780636      -0.59788252 
O       9.41565894       8.47522906      -8.60610589       0.44906229       0.53461205      -0.56617708 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0001051475772476832 0.00023857290453354745 -0.002171658133584969 0.00023857290453354745 -0.0035061196668786146 0.0037785477464882503 -0.002171658133584969 0.0037785477464882503 0.0020020981759166613" pbc="T T T" energy=-961.68653054 free_energy=-961.68653054 config_type=crystal 
Hf       2.81614483       3.00285532      -4.06667622      -0.39865677       0.13880133      -0.89197438 
Hf       2.83369185       2.08894458      -9.43020860      -0.43363251       0.28892265       0.05974316 
Hf       7.95171552       3.09346819      -4.13371531       0.86406240      -0.76665131      -0.43981291 
Hf       8.01718664       2.13404269      -9.44304200      -0.15003884      -0.35172046      -0.14679738 
Hf       2.74638189       8.17078294      -4.15440451       0.80794614      -0.56477186      -0.49078083 
Hf       2.81311554       7.26808060      -9.46931110      -0.33514226       0.22099257       1.60410553 
Hf       7.99452904       8.11067662      -4.20669301       0.68238983       0.69860228       0.86935463 
Hf       8.06830907       7.28457393      -9.37667484      -0.60924216      -0.58020467      -0.71420489 
Hf       0.17584546       0.76739001      -3.73710811      -0.07156658       0.31616672      -0.03127099 
Hf       0.18002184      -0.03659563      -8.94725436      -0.16914498      -0.28985131      -0.01694691 
Hf       5.49264949       0.80669656      -3.70098306      -1.13116936      -0.87985355      -0.08019199 
Hf       5.43265842      -0.12422724      -8.95759061       0.53112448       0.16507331       0.31098849 
Hf       0.13366294       5.93542974      -3.67619033       0.40951657       0.16777907       0.31681354 
Hf       0.30186488       4.99781755      -8.97989007      -0.06977772       0.35219818      -0.31055049 
Hf       5.41088982       5.95072838      -3.66342330      -0.86635539       0.05877612      -0.35424193 
Hf       5.34478645       4.96950293      -9.03381572       1.38963554       0.75533691       0.52020497 
Hf       2.37546769       1.20956706      -1.07391100      -0.15983843       0.67363223       0.14031686 
Hf       2.35589570       0.27681932      -6.32439975       0.86040520       1.40597514      -0.02231583 
Hf       7.61989397       1.26339122      -1.07277368      -0.75934876      -0.88966445      -0.38622456 
Hf       7.56439078       0.41501141      -6.27490231       0.56106172      -1.39315679      -0.83920960 
Hf       2.38245204       6.30501199      -1.07790826      -0.28198526       0.11151871      -0.42980119 
Hf       2.44611037       5.47382140      -6.29938810      -0.91725533       0.41051462      -0.01798308 
Hf       7.58479368       6.37453852      -1.07913893       0.74233562       0.24551630       0.35563896 
Hf       7.52648667       5.49084493      -6.43014485      -0.24515380       0.04738157       0.46829029 
Hf       4.97491720       3.47355483      -1.51660474       0.11566314       0.57048751       1.03244127 
Hf       4.95458723       2.54921233      -6.79920418      -0.33974644      -0.02574817       0.03371564 
Hf      10.18857210       3.42198801      -1.56100006      -0.80979006       0.41950770       0.76144395 
Hf      10.17079150       2.58253222      -6.82394135       0.41589967       0.00373120       0.41954107 
Hf       4.98704465       8.54662810      -1.59446112       0.52745394       0.75990743       0.54968858 
Hf       4.98237514       7.65769430      -6.83677202      -0.13405863       0.90874914       0.57589770 
Hf      10.25692393       8.66360949      -1.53294050      -1.33145810      -1.80751560       0.58623298 
Hf      10.19167589       7.74391643      -6.81209113      -0.50668008      -0.12550221       1.12979591 
O       1.27516776       2.39331245      -2.63755668       0.60667613      -0.61626891      -1.34586092 
O       1.25192571       1.52677011      -8.06078815       0.05432799      -0.40151162       0.40431888 
O       6.49949038       2.39324966      -2.76736103       0.04472812       0.24486235       0.37103183 
O       6.44917891       1.51471155      -8.04783326       0.34266739      -0.09316173       0.73521341 
O       1.33653752       7.43070999      -2.70883581      -0.27281511       0.64354455      -0.44418377 
O       1.25306147       6.64174610      -7.93335903       1.07714016      -0.19946989      -1.05088719 
O       6.56440489       7.47238394      -2.75322724      -0.74384000       0.23053549       0.16257696 
O       6.47068619       6.64644620      -8.06639178       0.31295960      -0.47249646       0.67730474 
O       3.99170613       1.46192758      -5.15049515       0.07467855      -0.12262143       0.75097099 
O       4.04853003       0.65628134     -10.37489258      -0.48663010      -0.57852133      -0.34832490 
O       9.19256413       1.42880364      -5.17944946      -0.46569848       0.46494673      -0.12220486 
O       9.09420534       2.30232635      -0.00598953       1.44028881       0.08740495       1.16972624 
O       3.94956912       6.58388564      -5.15058399      -0.05196612      -0.15672154       0.15757893 
O       3.85832321       5.67609313     -10.29324559       0.70862171      -0.31158308      -1.61461460 
O       9.11898142       6.61493386      -5.10819659       0.15208748      -0.96772424      -0.39668920 
O       9.23780836       5.56482630     -10.34301711      -0.93891790       0.98209336      -0.41061599 
O       3.84803651       1.88308566      -2.45536670      -0.36230419      -0.24261997      -0.38233014 
O       3.74574675       1.01547080      -7.78049729       0.68157772      -0.21522638       0.35345579 
O       8.97456639       1.77872036      -2.64079527       0.27030002       0.38774887       0.86329693 
O       9.00740284       1.01571864      -7.76849008      -0.15484201       0.03203710      -0.21575414 
O       3.79458706       7.03215267      -2.57199218       0.36823518      -0.26637470       1.06055621 
O       3.85342897       6.12676419      -7.77798545      -0.52926914       0.01521259       0.01777799 
O       9.01994247       7.11507015      -2.46959531       0.20526962      -0.79802908      -0.32864640 
O       9.01537895       6.22171700      -7.77582810      -0.26503561      -0.89217476       0.45586655 
O       1.28744140       2.84327697      -0.16862438       0.11512864      -0.56009739       0.92069109 
O       1.31957484       1.95479019      -5.33349053      -0.46472694       0.12630294      -0.15440114 
O       6.56992743       2.84009216      -0.14142723      -0.91165906      -0.56041972      -0.05412549 
O       6.48567035       1.95872582      -5.33546747      -0.07207067       0.06911973      -0.39283397 
O       1.30732842       7.93438716      -0.07919289       0.31335128       0.26379383      -0.23589863 
O       1.27189690       7.16056916      -5.45549493       0.35197186      -0.64371352       1.41122027 
O       6.53206967       7.92536929      -0.08637078      -0.89094244       0.00616873      -0.64196668 
O       6.44484782       6.99396354      -5.35901629       0.13961603       0.53310608      -0.45210353 
O       3.53489504       3.78500804      -5.97243107      -0.58053328       0.20062599       0.39911706 
O       8.49713462       4.58022900      -0.94639777       0.80067096      -0.24311089       0.72253090 
O       8.61304678       3.80956210      -6.05217345       0.43425092      -0.37128594      -0.28791067 
O       3.51986475       9.78349953      -0.80464712      -0.50426537       0.29775475       0.15084692 
O       3.37906670       8.84708998      -6.10476122       0.64724029      -0.07999034       0.12046737 
O       8.75910700       9.81487919      -0.78569178      -0.53937382       0.06824051       0.77619075 
O       8.75557835       8.94855179      -5.90642785      -0.47890047       0.63774750      -0.93622969 
O       0.88627118       0.05172180      -1.77802668       0.70350238       0.65039023      -0.36765450 
O       0.81907973      -0.75560262      -6.95312701      -0.58021386      -0.19215348      -1.13161939 
O       6.01669950       0.09447476      -1.78846405       0.45771007      -0.43525766       0.03027677 
O       6.10135162      -0.84701424      -7.03145896      -0.19620419       0.07374299       0.04106307 
O       0.75670139       5.21666262      -1.71318535       0.41959890      -0.04079038      -0.14487276 
O       0.94581931       4.24358900      -7.16087247       0.39511025       0.15632219       1.26977155 
O       5.92230263       5.33100572      -1.65835266      -0.41988682      -0.72472793      -0.48132139 
O       5.91859984       4.33927952      -7.06854618       1.19601391       0.32855926       0.29408522 
O       1.82172741      -0.30966927      -4.37474207      -0.29141612      -0.43695176       0.46108026 
O       1.61902761      -1.29938202      -9.64206778       0.76194331      -0.08359997      -0.55189464 
O       6.94163328      -0.39807788      -4.45298592      -0.36016029       0.24756871       0.45201526 
O       6.88378074      -1.34984920      -9.61026801       0.46622752       0.48672822      -1.05185884 
O       1.70950869       4.84272371      -4.32259501       0.38878945      -0.79784485      -0.73996122 
O       1.78718467       3.79179821      -9.75588855      -0.23014382       0.28155239       0.19500306 
O       6.88988140       4.77542048      -4.37153424       0.02100676      -0.17817581      -0.11448426 
O       6.96137847       3.76028224      -9.62182664      -0.84133141       1.54487834      -0.08142863 
O       4.22674073       4.24093606      -3.26466831       0.38342632       0.44981619      -0.68197180 
O       4.26175654       3.35854482      -8.69498095      -0.33862817      -1.02760686       0.21980004 
O       9.47055128       4.17444600      -3.31798818       0.18776805       0.73863191      -1.50521051 
O       9.60120103       3.28849540      -8.73406592      -0.61661370      -0.28313248      -0.01580222 
O       4.40842844       9.23547821      -3.44441376      -0.14272552       0.94258300      -0.42588950 
O       4.33000541       8.48679380      -8.66801398      -0.78907214      -0.38974395      -0.30588723 
O       9.54348710       9.31426032      -3.36623375       0.22829343       0.58479420      -0.77528202 
O       9.39327679       8.56323337      -8.53227397       0.56416148       0.67885946      -0.94612325 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0013913835909594619 -0.0005811888014787339 0.00011907081124722902 -0.0005811888014787339 -0.002411224199533645 0.0031990570037407954 0.00011907081124722902 0.0031990570037407954 0.00849521048010539" pbc="T T T" energy=-961.40464342 free_energy=-961.40464342 config_type=crystal 
Hf       2.76696870       3.01872919      -4.09703236       0.95476963      -0.04021425      -0.59885619 
Hf       2.83482523       2.07074935      -9.38132071      -0.47446828       1.89534071      -0.99711472 
Hf       7.97127172       3.00799234      -4.13440919       0.60575264      -0.83413391      -0.12707320 
Hf       8.02373460       2.10669824      -9.39072924      -0.73763749       0.16867930      -1.01442038 
Hf       2.72774118       8.15478934      -4.12794094       0.74997478       0.14873652      -0.07417109 
Hf       2.86640559       7.30649024      -9.47092000      -1.71742389      -1.50084864       1.11138303 
Hf       8.01720763       8.20438485      -4.13462718       0.16933538       0.28589909      -0.45215524 
Hf       7.98349642       7.28853715      -9.45892970       0.70277832      -0.57697597       0.57670563 
Hf       0.24522748       0.80395584      -3.73144662      -0.61891558      -0.33574573       0.40545401 
Hf       0.17543691      -0.07664871      -8.89986511       0.97565565      -1.26610797      -0.54409431 
Hf       5.37355489       0.74909797      -3.72593507       0.08147439       0.60829109       0.85728289 
Hf       5.32665476      -0.13873625      -9.02311321       1.76810812       1.18006809      -0.49679827 
Hf       0.16017835       5.87812189      -3.72825129       0.31341875       0.59467014       0.14329267 
Hf       0.20475032       5.05453005      -8.93911231       2.00192080       0.01166891      -1.13200849 
Hf       5.38740609       5.92766364      -3.73048928      -0.64634422       0.69130278       0.59150089 
Hf       5.34547439       5.05397460      -8.99095895       1.01078334      -0.61212416       0.79958674 
Hf       2.39602925       1.14897179      -1.12057392      -0.41277425       1.29599000       0.77444971 
Hf       2.43427883       0.36158988      -6.33019471      -0.92418682      -0.14329583       0.15092050 
Hf       7.61543954       1.25125180      -1.04040258      -0.63896134      -0.14734232      -1.47369485 
Hf       7.60214900       0.34121291      -6.38471596      -0.03264909      -0.12208232       0.32819004 
Hf       2.42439590       6.36128421      -1.18500971       0.27437661      -0.00501478       2.59594744 
Hf       2.45813308       5.47689612      -6.27587834      -0.68450115       0.04507466      -1.43360080 
Hf       7.53384923       6.39589408      -1.04748838       0.27179331      -0.87004565      -0.17431499 
Hf       7.59657347       5.47322577      -6.30371518      -0.78851668       0.41019308      -1.05938811 
Hf       4.95887718       3.53318045      -1.52036553      -0.85987634      -0.29226605       0.35989941 
Hf       5.01047008       2.53366124      -6.82200977       0.64227331       1.19332034       0.21973325 
Hf      10.22752791       3.48269639      -1.50885752      -0.99338979      -0.76928735       0.06268107 
Hf      10.15294991       2.61065512      -6.84060862       0.89218113      -0.29816853       1.04861548 
Hf       5.03426147       8.60426064      -1.55137953      -1.48324392      -0.08770578       0.16735740 
Hf       4.95153966       7.77283649      -6.75269195       1.14444395      -0.78601737      -0.89096869 
Hf      10.15069137       8.50869577      -1.52089896       0.92611923       0.46006476      -0.40536076 
Hf      10.20230059       7.68044945      -6.78384907       0.50016209       0.50641186      -0.93778331 
O       1.38847829       2.34932561      -2.70937039      -0.60312687       0.20885464       0.08975127 
O       1.41617788       1.46465255      -7.94688862      -0.43925422      -0.10019241       0.13565982 
O       6.56243375       2.31561775      -2.77244720       0.04480369       0.03496255       0.27446125 
O       6.55480924       1.42906567      -8.08809229       0.15768687       0.27092698       1.00554718 
O       1.28624184       7.40599602      -2.71411750       0.10697412       0.27303820      -0.66597925 
O       1.34221259       6.64201141      -8.09023714      -0.09190016      -0.34815390       1.33237900 
O       6.41091394       7.56048088      -2.68027695       1.38721262      -0.38761106      -0.72028584 
O       6.67414272       6.54911809      -7.95119795      -0.58947708       0.47800538      -0.28129041 
O       3.96150289       1.41338717      -5.19418724      -0.05580451       0.38549399       0.20176598 
O       3.89174474       0.64985596     -10.47333724      -0.06603006      -0.78995769       0.49536603 
O       9.13411332       1.39577084      -5.17613065       0.14047799       0.56814301       0.06978598 
O       9.02043238       0.49036724     -10.34457875       0.86242864       0.32282078      -0.25596078 
O       3.93713858       6.70525290      -5.13009325      -0.01743300      -1.11462271      -0.02945536 
O       3.94414040       5.70147530     -10.45486419       0.01688966      -0.57049002       0.16988342 
O       9.19121579       6.63546901      -5.15022171      -0.42898039      -0.53755210      -0.06392374 
O       9.10884693       5.60916244     -10.49709398      -0.27283625       0.31562447       0.88370512 
O       3.87639339       1.92970595      -2.49684821      -0.08184988      -0.55101606      -0.47717717 
O       3.94975988       0.97066618      -7.83218002      -0.75625423      -0.46603206       0.73094407 
O       9.11927744       1.84743381      -2.55819610      -0.29191632       0.35902391       0.55375477 
O       9.09538412       0.95750597      -7.77018215      -0.38196768       0.60430722       0.09169874 
O       3.83830818       7.08167986      -2.58669993      -0.38122119      -0.56479884       0.48013098 
O       3.83212803       6.17380796      -7.76796967       0.96334773      -0.07947596       0.02596182 
O       8.95538996       6.97680281      -2.59532438       0.05371860      -0.12341531       0.55169032 
O       9.17941906       6.03379108      -7.79441235      -1.08748920       0.78317193       0.77123772 
O       1.19671428       2.70724303      -0.07213198      -0.01264815       0.24798988       0.08225424 
O       1.27919774       2.01532329      -5.29588993      -0.13300513      -0.55594546      -0.62617440 
O       6.34465576       2.76184871      -0.13823390       0.84072464      -0.03641957      -0.04930902 
O       6.53502186       2.01921231      -5.39478443      -0.58191675      -0.61840598      -0.65444147 
O       1.20605360       7.88032397      -0.09174393       0.30091335       0.18947782      -0.79808184 
O       1.35814258       7.13922508      -5.42933724      -0.70038212      -0.52844613       0.33966756 
O       6.38741754       7.99213076      -0.01674329       0.75537430      -0.33994921      -0.49082047 
O       6.40663657       7.15967184      -5.34552462       0.81178240      -0.73271180       0.36672189 
O       3.63930670       3.88153410      -5.96867921      -0.07942261      -0.87194891       0.03198887 
O       8.58931015       4.60077140      -0.92793785       0.44638806      -0.14870527       0.69685383 
O       8.73523696       3.85139819      -6.08655898      -0.13739822      -0.66516253       0.67121509 
O       3.38716074       9.73232666      -0.82947807       0.64520213       0.33038707      -0.58900106 
O       3.51921235       8.91513829      -6.10255736      -1.03687704       1.15879906       0.26045009 
O       8.64149385       9.70539251      -1.00571022      -0.94744285       0.73692972       1.27204318 
O       8.68627789       8.89049956      -6.08312372      -0.72513286       0.23620333       0.40715621 
O       0.91744632       0.04277430      -1.78801515      -1.05366757      -0.82539011      -0.39863313 
O       0.80729475      -0.77798517      -6.94928222       0.29311307      -0.15342243      -0.25657623 
O       5.99684957       0.02802860      -1.75151123       0.55287949       0.97480387      -0.22785654 
O       6.11161225      -0.83377438      -7.16810349      -0.31961344      -0.38308781       0.84422430 
O       0.95809606       5.11485526      -1.69474360      -0.77780713      -0.12195581      -1.20334219 
O       0.97860588       4.19536639      -7.10097839       0.25102480       0.92054742       0.25004677 
O       6.05121014       5.21190627      -1.81324123      -0.24844143       0.15182602      -0.16301815 
O       6.10158000       4.27457842      -7.10373931       0.16626627       0.13009667       0.35314625 
O       1.79805852      -0.33322267      -4.37448953       0.13364008      -0.02381019      -0.68636472 
O       1.68169844      -1.39859636      -9.54951079       0.24441624       1.46393811      -0.94265190 
O       6.94165478      -0.29702027      -4.39458660       0.56041285      -1.01230521      -0.48480861 
O       6.99755862      -1.27657555      -9.68809174      -0.33570360      -0.23807272      -0.10817962 
O       1.72094051       4.76469304      -4.42970622      -0.23675757       0.12368528       0.12974086 
O       1.82886201       3.84643587      -9.66348424       0.08493461      -0.41007842      -0.47737420 
O       6.83853641       4.71440235      -4.37206925       0.76231473       0.20240862      -0.94487719 
O       6.92933065       3.76817225      -9.68023520      -0.60759649       1.25922146      -0.42628828 
O       4.16856495       4.28749846      -3.31485764       0.57541948       0.52733989      -0.25328381 
O       4.38856708       3.26738914      -8.71534295      -0.45256187       0.02684296       0.10025741 
O       9.51586492       4.21284119      -3.43752023       0.11160439      -0.25732821       0.08077606 
O       9.50464059       3.33277532      -8.71085595      -0.08815849      -0.84147659       0.16140837 
O       4.24528585       9.36461895      -3.42421840       0.57459971       0.46897788      -0.18200984 
O       4.38489681       8.43866119      -8.78312360      -0.01610223      -0.51018389       0.50132764 
O       9.66641000       9.21877724      -3.45803459      -0.48412157       0.67068493      -0.68303170 
O       9.52347196       8.45063853      -8.73336805      -0.25095328      -0.32931876       0.36327023 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0013777416368101832 -0.002728867468941662 -0.0011446668651826082 -0.002728867468941662 -0.004781435636087894 0.004785423011709947 -0.0011446668651826082 0.004785423011709947 0.0029181679218770935" pbc="T T T" energy=-960.53490063 free_energy=-960.53490063 config_type=crystal 
Hf       2.81271229       3.00767742      -4.13166003       0.17223107       0.06859514      -0.43057886 
Hf       2.76774850       2.07068883      -9.50309096       0.29791813      -0.22206346       0.91044467 
Hf       8.07986339       2.98097401      -4.22189041      -1.45803069      -0.55623206       1.58410363 
Hf       7.93894398       2.16987283      -9.36766502       1.05342278       0.43400965      -1.82147246 
Hf       2.75596247       8.14527545      -4.12444718       1.41935794       0.49548419      -0.55287986 
Hf       2.85283067       7.33019185      -9.37035054      -1.02545150      -0.02850058      -0.04784851 
Hf       7.91919826       8.15931441      -4.15528908       1.13463069      -0.24845383      -0.12682978 
Hf       8.07561043       7.23955801      -9.41841928      -2.01979338       0.01992110      -0.24291179 
Hf       0.16872343       0.75463154      -3.68858460      -0.23612776       0.06045583      -0.70536006 
Hf       0.11652092      -0.03716000      -8.90359754       2.39883792      -1.27269040      -0.40764831 
Hf       5.41097668       0.83959012      -3.68731129       0.73422203      -1.07265998      -0.68883448 
Hf       5.39146880      -0.04801323      -8.98486535       0.47097034      -1.12573165      -0.27265561 
Hf       0.18279895       5.87474511      -3.78041074       0.00581273       1.28180044       0.18125146 
Hf       0.25311112       5.05410035      -9.00354442       0.72302807      -0.66161062      -0.22325189 
Hf       5.41362808       5.96223949      -3.69901304      -0.62865498      -0.54055183       0.66902195 
Hf       5.34413394       5.07439636      -8.92456280       1.19969606      -0.52765272      -0.46885679 
Hf       2.35156658       1.14221949      -1.08453833      -0.81229928       1.10780847       0.14931588 
Hf       2.42073654       0.36497789      -6.26709743      -1.05168827      -1.13096968      -1.86426689 
Hf       7.69985196       1.23565501      -1.11488806      -1.75122964       0.42649952       0.39528910 
Hf       7.59856872       0.32071019      -6.38364143       0.04712766      -0.33516498       0.76580817 
Hf       2.43152832       6.41886614      -1.08678619      -0.63052667      -0.33190398       0.07301546 
Hf       2.48897304       5.45513445      -6.29340087      -1.05182015      -0.39747063       0.06010909 
Hf       7.55207693       6.32264917      -1.12430341       0.00699277       0.51652684       0.64508429 
Hf       7.51861072       5.39964028      -6.30730921       0.32418284       1.42645589       0.23670552 
Hf       4.89579396       3.51656467      -1.49025604       0.47599479      -0.39903764      -0.69878968 
Hf       5.02862785       2.52355152      -6.79511578      -1.06226378      -0.06260874      -0.89611916 
Hf      10.18854903       3.51760838      -1.56444677       0.44693612      -0.35957318       0.48592686 
Hf      10.18868556       2.60799568      -6.81576476       1.00140124      -0.51143469       0.15082616 
Hf       5.04353637       8.64771215      -1.51156509      -0.00165929      -0.38699152       0.14617793 
Hf       5.01223332       7.74581528      -6.78271931       0.11179328       0.81935356       1.01268393 
Hf      10.15804354       8.54286435      -1.54309866      -0.44442836       0.68632865      -0.59630900 
Hf      10.13341833       7.66685565      -6.85216619       0.76250134       0.41529933       1.17937496 
O       1.35156822       2.23515180      -2.77954412       0.51063743       1.25054653       0.32379140 
O       1.25859753       1.39578591      -7.94422619       0.40778046       0.88245500      -0.09574170 
O       6.53588415       2.37755832      -2.85377318       0.45248777      -0.18955516       0.70095575 
O       6.54125313       1.49597433      -8.05545185      -0.14922458       0.00933935       0.32980449 
O       1.25326949       7.64515778      -2.76814574       0.34065534      -0.70258537      -0.19988915 
O       1.40231525       6.48165205      -7.98480150       0.01987084       0.72152695      -0.46065365 
O       6.48801700       7.45950105      -2.58787337       0.32338759       0.54932826      -1.36398272 
O       6.54949076       6.67489964      -7.82713049       0.18261893      -0.66423557      -0.83919108 
O       3.93627255       1.40763755      -5.32188097       0.21595132       0.18212201       2.20281782 
O       3.95499909       0.54127856     -10.41437709      -0.24119478       0.21345867      -0.58380085 
O       9.03602177       1.34906148      -5.18149288       1.19809235       0.78477591       0.23565113 
O       9.19683725       0.43958695     -10.37892648      -1.44380089       0.93151555      -0.73492229 
O       3.92396598       6.60806874      -5.05876550       0.05808757      -0.37162990       0.18797981 
O       3.95437027       5.70187408     -10.38869801      -0.74761774       0.24077339       0.76316694 
O       9.10187535       6.52038275      -5.15124447      -0.09896697       0.31185942      -0.41309698 
O       9.12311696       5.65587859     -10.49062593       0.69424217       0.16111070       0.56431682 
O       3.88751890       1.85160506      -2.57407949      -0.44903068       0.04989565       0.30041580 
O       3.74712586       1.02840656      -7.84025717       1.20833794      -0.03352767       0.11169739 
O       9.08316919       1.95843024      -2.55564183      -0.36734240      -0.26220195       0.20989742 
O       9.09099422       0.97813992      -7.79603627      -1.34083170       0.65930021       0.44767255 
O       3.84369399       7.08098281      -2.42587266      -0.23469546      -0.36058003      -0.78516424 
O       3.90631224       6.16413132      -7.59664255       0.72176359      -0.15059301      -1.80757678 
O       8.96577766       7.02871062      -2.59574545       0.50134545      -0.13678423       0.40207518 
O       9.06985963       6.06647106      -7.82776693       0.09342574      -0.37799941       0.07070163 
O       1.25482512       2.83570608      -0.15206559       0.07488376       0.00198173      -0.11712692 
O       1.21521503       1.85811680      -5.35506030      -0.06047633       0.87241312      -0.12124153 
O       6.45852529       2.79450221      -0.11778727       0.41940766       0.14080595       0.06180686 
O       6.44474620       1.81919438      -5.41334968      -0.15610039       0.82685836      -0.00811270 
O       1.30501503       7.97821936      -0.13455628      -0.47378865      -0.07525207       0.29602870 
O       1.23989780       6.85699301      -5.40681338      -0.14120863       1.81870763       0.27832520 
O       6.38353333       7.86962088      -0.00889925       0.62438528       1.09278272      -0.64503017 
O       6.43875225       7.02097784      -5.26766813      -0.16911586       0.18404185      -0.26401386 
O       3.69059652       3.81093659      -5.93135152      -0.36891002       0.06027198      -0.43727691 
O       8.62719753       4.59155142      -0.86657842      -0.18590006      -0.34302691       0.09377074 
O       8.67133613       3.79080327      -5.96985359       1.03863114      -0.52263441      -1.72773818 
O       3.50803779       9.79751727      -0.79771243      -0.68260357       0.26632703       0.04742863 
O       3.53645213       8.87355088      -6.00133445      -1.03277742       0.69045575       0.08293550 
O       8.64033138       9.81229223      -0.79608085       0.38690929      -0.92922496       0.11980204 
O       8.58910827       8.84556338      -6.11443226       0.61201687      -0.59628172      -0.09479238 
O       0.64313910       0.18569173      -1.71722902       1.01699624      -1.33302810       0.25720887 
O       0.94365864      -0.95520663      -7.08634005      -0.61866041      -0.32214006       0.45229942 
O       6.07716489       0.08949481      -1.77115877       0.15989001       0.17789783      -0.49517992 
O       6.01307256      -0.70546575      -7.04297285      -0.57290698      -0.99173378      -0.24052496 
O       0.77077110       5.32408494      -1.76492541       0.46212605      -0.25557595      -0.54743957 
O       1.00912623       4.20089472      -7.02137398      -0.56408929      -0.00401902      -0.79066888 
O       5.95113923       5.20737621      -1.71895522      -0.00745908      -0.23513480      -0.06140053 
O       6.24567968       4.11662328      -7.21821596      -0.32183716       0.67949888       0.73291878 
O       1.70079165      -0.38301786      -4.44729134       0.38193048      -0.81749281       0.77926358 
O       1.75571205      -1.21147667      -9.61785847       0.29904450      -0.80005123      -0.85538977 
O       7.04916275      -0.37775795      -4.42133033      -1.42695019       0.54153337       0.21302444 
O       6.81733075      -1.43460157      -9.67018719       0.30211217       0.99105917       0.00355412 
O       1.70791835       4.71215537      -4.45083792       0.77081140      -1.08041638       0.76374560 
O       1.82886461       3.77244608      -9.80047918      -0.98548482       1.39095927       0.48535388 
O       6.90297722       4.69651780      -4.35073374      -0.04089603       0.34537082      -0.85352213 
O       7.02506672       3.96704944      -9.70941422      -0.08238951      -1.50800183       1.00880763 
O       4.33326214       4.21900779      -3.41936944      -0.51179880      -0.18133923       0.68146560 
O       4.30900641       3.33706074      -8.78580933       0.18855214      -0.22402118       0.40300091 
O       9.60751386       4.15918242      -3.53241065      -0.16399346      -0.25880512       0.52384918 
O       9.67631985       3.28386811      -8.81553565      -1.03432239      -0.52683337       0.87626052 
O       4.47311198       9.25083217      -3.50354518      -0.79152006       0.40158392       0.42529477 
O       4.26551409       8.51270567      -8.64092783       0.52526040      -0.19208163       0.18052523 
O       9.41400428       9.39900278      -3.40678376       0.42063370      -0.62524789       0.23768373 
O       9.52026271       8.42211400      -8.70302304       0.12294695       0.06609841       0.13233609 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0004360895552521097 0.0003094899610708388 0.0018626068382585153 0.0003094899610708388 -0.0032656516591706842 0.005695282193946742 0.0018626068382585153 0.005695282193946742 -0.009832541753189462" pbc="T T T" energy=-961.67313093 free_energy=-961.67313093 config_type=crystal 
Hf       2.80354493       2.97677789      -4.14282184      -0.16145060       0.55774454      -0.11305617 
Hf       2.79993753       2.14208211      -9.41925408      -0.27026886      -0.99297110      -0.32881762 
Hf       7.98390777       2.96713219      -4.13882532      -0.83609017       0.08349184       0.07709089 
Hf       8.06098558       2.11522187      -9.46569270      -0.45850983       0.64483716       0.80949264 
Hf       2.75377698       8.17586264      -4.11082267       0.98770471       0.04102623      -0.79289879 
Hf       2.80390090       7.28905786      -9.40594627       0.96527014       0.16508891      -0.33713149 
Hf       8.03980122       8.20679971      -4.17095417      -0.46715554      -0.93617703      -0.18976148 
Hf       8.00760543       7.23492770      -9.46545340      -0.10271623       0.38378977       1.46672388 
Hf       0.15822653       0.74301898      -3.67167603       2.05716887       0.69121688      -0.31438909 
Hf       0.14704418      -0.13402852      -8.92104763       1.69671875       0.24937088      -0.33714373 
Hf       5.38719839       0.80519869      -3.66742812       0.01213662      -0.60963973      -0.21803241 
Hf       5.43892325      -0.11334392      -9.07506517      -0.60188564      -0.47065977       1.94510023 
Hf       0.13559428       5.79107025      -3.73532301       1.30556782       1.41378913      -1.03279593 
Hf       0.31063210       5.04640967      -8.96380401      -0.91215146      -0.13969995      -0.45755744 
Hf       5.44779750       5.93364333      -3.69929435      -0.35235635      -0.06867290      -0.71227534 
Hf       5.44851401       5.04965512      -8.94473684      -2.25263774       0.47958888      -0.53441804 
Hf       2.32771690       1.21694122      -1.08085987      -0.00081138       0.23862709      -0.93568300 
Hf       2.42518878       0.41300601      -6.36391178      -0.80988206      -0.60482790       0.67580265 
Hf       7.64347069       1.27907775      -1.07055239      -1.29031265      -1.05038540       0.18376698 
Hf       7.58688795       0.37115681      -6.35123894      -0.85125580      -1.16853933       0.31265100 
Hf       2.44738578       6.41181658      -1.11582471      -0.60695379      -0.88125250      -0.39706554 
Hf       2.44844486       5.52174767      -6.28032197      -0.02468190      -0.17561716      -0.32927497 
Hf       7.47161864       6.37711468      -1.04856742       1.50521908       0.21607983      -1.83765836 
Hf       7.53338676       5.41557347      -6.42520054       0.76015344       0.80857205       1.00464914 
Hf       4.94630139       3.51032357      -1.52903481      -0.86911264      -0.73296197      -0.15167466 
Hf       5.05770457       2.55315323      -6.80251964      -2.29567316      -1.13098053       0.29562060 
Hf      10.19948669       3.48325937      -1.56497443       0.65441923      -0.11346406       1.29063010 
Hf      10.13722721       2.59526157      -6.80827112       1.12612644       0.45341666       0.39865232 
Hf       4.97126864       8.65229449      -1.52203690       0.00106251      -0.00506076      -0.61386202 
Hf       4.97457816       7.77498690      -6.68547634       0.33930915      -0.79373233      -1.46363786 
Hf      10.12659659       8.48444189      -1.54327035       0.54002554       0.78951980       0.09804384 
Hf      10.21712006       7.70324791      -6.77403785      -0.34183663      -0.20426173       0.07693084 
O       1.28764193       2.37381227      -2.69512750      -0.11649633      -0.34128908      -0.16228914 
O       1.25534048       1.57136518      -7.96249122       0.45227405      -0.48517479      -0.26456745 
O       6.52004404       2.39611683      -2.69921864       0.15765614      -0.10677352      -0.37571778 
O       6.54733561       1.47094272      -7.95267727      -0.17052680       0.09404096      -0.76817966 
O       1.33562764       7.47427398      -2.85270128      -0.56673991      -0.05752053       1.06081033 
O       1.39515904       6.63549386      -8.01197324      -0.48935739       0.39927589      -0.24852240 
O       6.54614810       7.50817350      -2.71302848       0.20298093      -0.16067714      -0.51057894 
O       6.47202187       6.64677663      -8.05102365       0.58600368      -0.90450894       0.27300838 
O       3.92877242       1.47288764      -5.07241165      -0.23687453      -0.37023502      -0.98818960 
O       3.94142157       0.47652080     -10.39333686       0.04782986       0.98598957      -0.50755844 
O       9.11987457       1.47168142      -5.05995029      -0.17137822      -0.78061082      -0.67901317 
O       9.22205886       0.55644892     -10.35063455      -1.29835869       0.26805205      -0.58526977 
O       3.94188851       6.58601904      -5.06204347       0.13527249       0.24270855       0.01145845 
O       3.83365291       5.63850672     -10.37143127       0.76899973       0.34151025       0.46140775 
O       9.17223022       6.54684623      -5.17141988      -0.35638118       0.10265611      -0.10653300 
O       9.11022905       5.67622212     -10.31679011       0.26613678      -0.33416392      -0.91967802 
O       3.80143011       1.84255020      -2.54972863       0.50800356       0.60653797       0.48674276 
O       3.82456930       0.92834261      -7.77641193       0.55770761       0.36213415       0.01782386 
O       9.06117989       1.82454570      -2.40576719       0.42296646       0.32783723      -0.79540563 
O       9.00087265       1.05567689      -7.80886914       0.40995069      -0.47302185       0.57142989 
O       3.92716941       6.98598388      -2.45468784      -0.30293090       0.36830576       0.02545287 
O       3.88284638       6.17035236      -7.72399259       0.01303486      -0.46938710       0.15197417 
O       9.07535527       6.93992487      -2.49822778      -0.46127997       0.43617734      -0.12876390 
O       9.00310126       6.13539601      -7.79428739       0.27516405      -0.07666602       0.45413315 
O       1.26970849       2.81360789      -0.09076338      -0.07961163       0.08873171      -0.32194484 
O       1.24950955       1.91246941      -5.35928668      -0.12425040       0.25221138      -0.04190694 
O       6.49739819       2.81713420      -0.11490822      -0.18808816       0.51028662      -0.02638926 
O       6.38060940       1.80928744      -5.35557588       0.88748119       0.57324906       0.20580769 
O       1.26470162       7.91491569      -0.21805998      -0.14970816       0.02718657       0.76507322 
O       1.36824205       7.12938653      -5.39722740      -0.80292331      -0.25676776      -0.40065663 
O       6.42189919       7.94729283      -0.18359118      -0.14679402       0.61944936       1.00815755 
O       6.47277703       6.94262660      -5.37886901       0.10322844       0.53665741      -0.01104616 
O       3.57420475       3.82926157      -5.93527580       0.43048643      -0.56251584      -0.83351398 
O       8.63987525       4.66491785      -0.77969584       0.52440963      -0.24023463      -0.41834238 
O       8.58203674       3.66623707      -6.01112047       0.40608119       0.60765446      -0.97869872 
O       3.55375841       9.85291366      -0.81769861      -0.68464396      -0.17402635       0.36094278 
O       3.51052201       8.91621935      -6.08684198      -0.91135653       0.69218152       0.39509427 
O       8.63808687       9.74982417      -0.77308215       0.33164873       0.22763881      -0.84892498 
O       8.71323853       8.91292537      -6.01013069       0.13261524       0.23590893      -0.47957581 
O       0.85053916      -0.08350141      -1.82268083       0.35386994       0.74549538      -0.17768083 
O       0.85433858      -0.77557517      -7.07519925       0.16727191      -0.53920676       0.23590361 
O       6.10336776       0.09153625      -1.83227795       0.29003767      -0.23394126       0.61854258 
O       6.09840598      -0.87098205      -7.03931969       0.28822500       0.59096106      -0.39171335 
O       0.89675955       5.20827587      -1.96664490       0.19478243      -0.96603250       1.51713514 
O       0.86521701       4.44358148      -7.07952612      -0.29237337      -1.43075432       0.23709204 
O       6.05435923       5.14850978      -1.86154927       0.40929404       0.07244099       0.59722168 
O       6.08518765       4.17510175      -7.13591857       0.88547430       1.46890511      -0.41815431 
O       1.77589104      -0.38954971      -4.44216926      -0.71501349       0.57760211       0.12071427 
O       1.66545935      -1.30561144      -9.83613864      -0.38078696      -0.62363474       1.90610998 
O       6.86363863      -0.47193809      -4.45289876       0.25375209       0.31323066      -0.02053053 
O       6.98903463      -1.21681678      -9.62829363       0.48271693      -0.64797834      -0.59917668 
O       1.66112815       4.67502872      -4.53170135      -0.49116812       0.16173585       0.55137685 
O       1.62170488       3.72444364      -9.82340920       0.36224082       0.77899963       0.14433194 
O       6.87795531       4.63477333      -4.52357673      -0.53597352       0.45762593       0.45197517 
O       6.85119979       3.91776634      -9.78862413       0.44991079      -1.73784135       1.46641200 
O       4.21976780       4.28002699      -3.34629566       0.12436402      -0.41480361       0.49120482 
O       4.30091383       3.23773924      -8.72669272       0.66653532       1.03241203       0.39584204 
O       9.45557118       4.11013529      -3.40025260       0.08333356       0.40507042      -0.15423543 
O       9.52054637       3.36736816      -8.66564263      -0.59734726      -0.19240820      -0.10554028 
O       4.34068299       9.33400672      -3.41018889      -0.12838252      -0.02505817      -0.06132397 
O       4.39138763       8.35486229      -8.76965261       0.06082498       1.02088324       0.34335444 
O       9.51354902       9.38885162      -3.45463450      -0.92026904      -1.49030689       0.49065090 
O       9.52587056       8.40487974      -8.67144368       0.05821126       0.37543459      -0.00157214 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.000998107748695967 -0.00047506653768293464 -0.002300280937915431 -0.00047506653768293464 -0.0027172554969789762 0.00434704844620836 -0.002300280937915431 0.00434704844620836 0.0018725218687200558" pbc="T T T" energy=-960.94629668 free_energy=-960.94629668 config_type=crystal 
Hf       2.80452027       3.00789673      -4.12879117       1.05464057      -0.88164632      -0.24050196 
Hf       2.77516311       2.04723722      -9.48609965       0.30507516       0.85438134       0.69489760 
Hf       8.08918816       2.98568338      -4.22474919      -2.28609739      -0.49717213       1.43460331 
Hf       7.95040790       2.16399543      -9.37107319       0.70990887       0.71235922      -1.46476217 
Hf       2.77807686       8.15028953      -4.12402180       0.85178017       0.49508715      -0.33572515 
Hf       2.86053144       7.34394994      -9.40362312      -1.31352086      -1.57318846       0.14373742 
Hf       7.92833465       8.16043775      -4.16457643       0.54930050       0.12108264       0.22126709 
Hf       8.07216855       7.24198018      -9.42033270      -1.39168624       0.14341076      -0.42349463 
Hf       0.16756740       0.76718149      -3.69619626      -0.18505262      -0.63681960       0.60368127 
Hf       0.12650932      -0.03638999      -8.91645908       2.06119358      -0.85019707       0.11163406 
Hf       5.42659018       0.82537189      -3.68565483       0.15474064      -0.24600763      -0.64512749 
Hf       5.40161035      -0.05586580      -9.00671381       0.11526208      -0.84203217       0.07878392 
Hf       0.19805056       5.89104533      -3.75537903      -0.41782254       1.16641985      -0.37545985 
Hf       0.22767807       5.06284629      -9.01074898       1.22740477      -0.65867433      -0.08661639 
Hf       5.40200664       5.95877231      -3.66300097      -0.56107928      -0.43173939       0.00581056 
Hf       5.35580525       5.07978868      -8.91126098       1.09583960      -0.84885197      -0.50210839 
Hf       2.37211578       1.12668685      -1.07715862      -1.08739930       1.13307247      -0.71507244 
Hf       2.40436995       0.35562879      -6.26329885      -0.41034033      -0.53899959      -1.37749303 
Hf       7.66371400       1.23462130      -1.09103756      -1.38068307      -0.41053298       0.13629492 
Hf       7.61617258       0.31684188      -6.39521948      -0.95189338      -0.33854032       1.43318643 
Hf       2.41666510       6.41517505      -1.10187353      -0.46347633      -0.11854040       0.78051115 
Hf       2.46741733       5.44843956      -6.27714219      -0.12127487      -0.14692655      -1.19256632 
Hf       7.54537830       6.33672730      -1.11861682       0.07426837       0.37397832       0.83198568 
Hf       7.52019888       5.42037923      -6.30314122       0.52463673       1.13793851       0.38210387 
Hf       4.90318790       3.50941476      -1.49964220       0.21739659      -0.85674166      -0.26979991 
Hf       5.01100155       2.52519237      -6.81129403      -0.70376800      -0.17356844      -0.17071181 
Hf      10.18845614       3.51332039      -1.55415168      -0.42355264      -0.55171417       0.41324967 
Hf      10.21757370       2.60359396      -6.81225599       0.27084079      -0.47618712       0.13526580 
Hf       5.02496621       8.64033255      -1.52383702       0.48632681      -0.33176337       0.00300704 
Hf       5.01010476       7.76227474      -6.80465420      -0.28353666       0.20301040       1.15171832 
Hf      10.15192387       8.54182354      -1.54879198      -0.30475060       0.76385451       0.28611108 
Hf      10.14634417       7.67051589      -6.85451937       0.47122007      -0.32503157       0.84884809 
O       1.41641509       2.24256598      -2.74705762      -1.05594598       0.78408565       0.01541918 
O       1.29933018       1.48436954      -7.88362511      -0.04345574      -0.64821111      -0.97480178 
O       6.56224443       2.42384816      -2.85225217      -0.11894529      -0.60869909       0.90904910 
O       6.50406429       1.49980338      -8.05687395       0.34182942      -0.29102675       0.34023547 
O       1.22627758       7.65363293      -2.70881638       1.31056132      -1.23734229      -1.22869813 
O       1.45872760       6.50311158      -8.01257692      -0.56811485       0.40960441       0.15309510 
O       6.48464140       7.43504857      -2.60827265       0.24465105       0.70224735      -0.79174344 
O       6.62973771       6.67067109      -7.83634770      -0.89140758      -0.12347323      -0.44608602 
O       3.97828467       1.35849256      -5.24450258      -0.92274298       0.53977956       1.03597247 
O       3.92185820       0.46168554     -10.42105010      -0.10450356       0.58183479      -0.13635903 
O       9.08565735       1.40682653      -5.24429341       0.86983107      -0.16665407       1.33782492 
O       9.20576885       0.44738187     -10.37447486      -1.50304225       1.00296174      -0.37732578 
O       3.89846175       6.61356643      -5.04947039       0.29697941      -0.45283940      -0.45500282 
O       3.94560054       5.68567039     -10.32222469      -0.45642283       0.21423391      -0.60174018 
O       9.12068688       6.59595569      -5.21236701       0.30835173      -0.72916206       0.65481874 
O       9.17603349       5.70894395     -10.45264804      -0.20091935      -0.65130422       0.37475880 
O       3.84135056       1.77658724      -2.53652719       0.30986738       0.49814541       0.11368353 
O       3.77051285       1.02901577      -7.80188814       0.79366521      -0.27170703      -0.21291076 
O       9.01661145       1.89128831      -2.48913994       1.17029914       0.46329744      -0.97801258 
O       9.06724201       1.04831347      -7.72085344      -0.62003008      -0.42132494      -1.06021972 
O       3.83920060       7.09308446      -2.46748690      -0.43083413      -0.64839803      -0.00024933 
O       3.96086306       6.10864416      -7.71122735       0.06401342       0.37877239       0.32757950 
O       8.96696620       7.01195109      -2.58175269       0.38353948      -0.58357654       0.11378958 
O       9.03928401       6.10157528      -7.83725442       0.76462629      -0.56747650       0.07838525 
O       1.22812663       2.89172953      -0.15340462       0.46221702      -0.40095332       0.42917061 
O       1.26338995       1.85305123      -5.34237297      -0.43072634       0.94496824       0.42024798 
O       6.42430901       2.82442483      -0.10081139       0.47485839       0.02969719      -0.10960253 
O       6.38829832       1.81568617      -5.37974770       1.02784363       0.63782326      -0.68953410 
O       1.28078891       7.91073660      -0.11842612      -0.10364728       0.26850423       0.07475354 
O       1.32196897       6.92314940      -5.38189182      -0.86969838       1.08870114       0.36787648 
O       6.41086043       6.13891007     -10.48769522       0.30928710       0.58824287      -0.77667992 
O       6.40318346       7.09947703      -5.24022233      -0.13771069      -0.49813420      -0.60989081 
O       3.69953675       3.81174777      -5.95487965      -0.79283231       0.17278526       0.03460508 
O       8.56362399       4.58682303      -0.89085861       0.68652127      -0.66712234       0.09760907 
O       8.65675667       3.73682168      -6.01975773       0.38057352       0.63026214      -1.08148557 
O       3.46633707       9.73247656      -0.84741296      -0.41434615       0.39394120       0.10010684 
O       3.49564051       8.95673384      -6.06904306      -0.16613290      -0.87536710       0.60116624 
O       8.66189280       9.74149743      -0.80615207      -0.86782491       0.71427672       0.48503642 
O       8.58693815       8.78234641      -6.10602948      -0.17356915       1.17672622      -0.01657359 
O       0.62793000       0.15437040      -1.67005336       1.29928947      -0.43148185      -0.69014856 
O       0.86021242      -0.98524683      -7.10239965       0.66329559       1.28215153       0.43546942 
O       6.11705739       0.05733560      -1.83633149      -0.08225354      -0.01325595       0.35964597 
O       6.01365857      -0.75939480      -7.05509357       0.17530648      -0.30126066      -0.41948714 
O       0.79742740       5.28629377      -1.84050484       0.45400873      -0.33216512      -0.00159652 
O       0.95393953       4.19230663      -7.06927776       0.44592015       1.24144312      -0.09294170 
O       5.96430280       5.18706730      -1.72928443      -0.04573473       0.16054969       0.20128988 
O       6.26323824       4.14546632      -7.17885199      -0.78362279       0.30483575       0.42884833 
O       1.66137908      -0.44107395      -4.40706171       0.01311778       0.01523301       0.17995504 
O       1.72431008      -1.27827123      -9.71070096      -0.27925088       0.24049695       0.32540970 
O       6.93789932      -0.36834603      -4.37047872       0.60382771      -0.50043836      -0.87242376 
O       6.85782391      -1.34179650      -9.74278120       0.03525031       0.23715029       0.67054068 
O       1.73092662       4.69897488      -4.45359737      -0.04503116      -0.51304751       0.59713939 
O       1.84998195       3.80619754      -9.79292328      -0.80819707       0.32272376       0.33212018 
O       6.87025766       4.73081978      -4.30745831       0.70245805       0.05648274      -1.46757265 
O       7.06250493       3.95531412      -9.68598983      -0.44852658      -0.92328390       0.62067086 
O       4.33814256       4.14560545      -3.36714531      -0.59700960       0.54207207      -0.01623954 
O       4.29445366       3.32399089      -8.73911596       0.42738352      -0.10457187       0.11042024 
O       9.53188893       4.16733594      -3.49980182       0.80288684       0.26766637       0.32952865 
O       9.63960024       3.29230969      -8.82629507      -0.62735038      -0.59288394       0.67271171 
O       4.44523710       9.24885316      -3.49491170      -0.74118592       0.31234393       0.29885097 
O       4.22282546       8.49980984      -8.62752404       1.31178598       0.56849110      -0.03297779 
O       9.37659195       9.35794270      -3.31686326       0.66530125       0.68434243      -1.20695541 
O       9.51647732       8.47442053      -8.69136266      -0.35128458      -0.18646371      -0.14337310 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0011217129726325864 -0.0015739882153197379 -0.0004241592163919311 -0.0015739882153197379 0.005209018532446682 0.0002545979542482162 -0.0004241592163919311 0.0002545979542482162 0.003536855348176605" pbc="T T T" energy=-962.02523573 free_energy=-962.02523573 config_type=crystal 
Hf       2.78795087       2.93829792      -4.14102099       0.06860965       0.23818987       0.34888448 
Hf       2.82475994       2.04532150      -9.44820818      -0.09000348       0.68836130      -0.13801170 
Hf       8.01790804       3.03272297      -4.13227967       0.14965375      -0.21996859      -1.25041918 
Hf       8.02224474       2.12862281      -9.35552487      -0.47560191       0.47897210      -0.56791799 
Hf       2.97292420       8.22661550      -4.14218341      -2.07092808      -1.18912012      -0.00568862 
Hf       2.81269899       7.26498185      -9.39102557       0.64593707       0.57304865      -0.37442684 
Hf       8.01738623       8.10073375      -4.25079715      -0.49670907       0.36665168       1.24160654 
Hf       7.94996330       7.37164986      -9.40588851       0.95946354      -1.08386925       0.20068608 
Hf       0.22099202       0.75787670      -3.71425979       0.21282903      -0.30922149      -0.43743666 
Hf       0.26270334      -0.07885461      -9.00987365      -0.08841419      -1.02308940       1.06412395 
Hf       5.44510329       0.86596801      -3.69894300       0.41204605      -0.98524892       0.19184902 
Hf       5.38502650      -0.08367178      -8.97569992      -0.02017366      -0.07474514       0.58241418 
Hf       0.25623496       5.92658926      -3.71172001      -0.25207705       0.59868242      -0.58915036 
Hf       0.25114694       5.08606680      -8.93134471       0.01960846      -0.76043002      -0.74329709 
Hf       5.38830599       5.81759916      -3.71047411      -0.45159019       0.96706597       0.24804053 
Hf       5.37863045       5.03677211      -9.00485878      -0.15375937      -0.02788284       0.09582826 
Hf       2.36032051       1.20244671      -1.17567217       0.59248913      -0.18048507       1.25355024 
Hf       2.37488448       0.36469777      -6.32115392      -0.24614196      -1.10803356      -0.06528435 
Hf       7.58440976       1.27311289      -1.10803590      -0.58838808      -0.15261335       0.36764140 
Hf       7.61877213       0.31093886      -6.30241436      -0.92920812       0.12918992       0.09390118 
Hf       2.32449861       6.36264006      -1.08966608       0.83947582       0.33304289       0.24694171 
Hf       2.44424926       5.43831536      -6.28046636      -0.66786131       0.65707003      -0.08985423 
Hf       7.56815487       6.41486093      -1.09416904       0.48826869      -0.21831826       0.10539360 
Hf       7.46792884       5.43130326      -6.41049741       0.79802733       0.54878406      -0.14566516 
Hf       4.96511873       3.49754933      -1.47370397      -0.88664508      -0.23340043      -0.45873098 
Hf       5.01289767       2.54165936      -6.79860229      -0.03106793      -0.17583048       0.19819420 
Hf      10.09670475       3.46092687      -1.50800949       1.03043057       0.37870240      -0.69230412 
Hf      10.12014567       2.60839076      -6.80439483       1.16542108      -0.44986676       0.69887836 
Hf       4.98760614       8.58390325      -1.50238495      -0.37296853       0.69712508      -0.23336873 
Hf       4.99830056       7.70619579      -6.75584380      -0.51330890       0.58715029      -0.99418262 
Hf      10.16616969       8.60908808      -1.54923583      -0.04138649      -0.94872186      -0.32851383 
Hf      10.15939376       7.68135451      -6.80390603       0.51580598       0.19171640       0.20247319 
O       1.33953377       2.35459739      -2.69122591      -0.44537062      -0.17361533      -0.26839764 
O       1.28607373       1.45323843      -7.98788416       0.70205598       0.25905020       0.01135988 
O       6.55566156       2.52027401      -2.80647466      -0.83217605      -0.90129864       1.17229835 
O       6.61268630       1.51853390      -7.93380972      -0.47778144      -0.11334044      -0.19750829 
O       1.35654497       7.51972524      -2.71685374      -0.16119826      -0.24258920      -0.60259454 
O       1.37098685       6.55996246      -8.02932325      -0.54257198       0.40386825       0.54318981 
O       6.45268709       7.54240065      -2.75949892       0.34972696      -0.67051504      -0.09131132 
O       6.48726817       6.67690077      -7.98067981       0.02697131      -0.31926802      -0.52270354 
O       3.94538079       1.35475015      -5.05777887      -0.22923735       0.55991763      -1.22845900 
O       3.95230312       2.33863512      -0.03104792      -0.12027172       0.08690219       1.13391010 
O       9.14189991       1.47810995      -5.15736054       0.41827659      -0.28520941       0.78944928 
O       9.22985366       0.54531971     -10.45380815      -1.37869402       0.14071624       1.08601810 
O       3.94118373       6.59078649      -5.10944521       0.49590107      -0.41464378       0.42310048 
O       3.94373705       5.74745256     -10.38270648       0.12908229      -0.66475733       0.28130323 
O       9.17498978       6.56612345      -5.19399078      -0.32091272      -0.44592729       0.11065805 
O       9.20780410       5.68586285     -10.38094154      -0.52332264       0.09044440      -0.55887779 
O       3.88559410       1.79830396      -2.53164127      -0.11530925       0.90653106       0.07492345 
O       3.90133695       0.94467030      -7.76691793      -0.53877891       0.25748581       0.25050469 
O       9.01493768       1.89052427      -2.49259075       0.60950419      -0.28357078      -0.48139141 
O       9.06869779       0.94186916      -7.66968325       0.24357815       0.45984128      -1.42966860 
O       3.86389095       7.04408684      -2.42690329       0.02970444      -0.17365346      -0.49535991 
O       3.87960908       6.18083928      -7.74227600      -0.38411323      -0.59283036      -0.02498682 
O       8.97876148       7.05667766      -2.59484461       0.24577069      -0.13875834       0.73744255 
O       8.91726288       6.12696524      -7.82407755       1.19252857       0.03572663       0.27655063 
O       1.24500484       2.75053636      -0.12996259       0.41509046       0.47566826      -0.11447221 
O       1.32257961       1.96464236      -5.29008016      -0.84217039      -0.86137850      -0.97292039 
O       6.43012518       2.90675920      -0.06705138       0.50784334      -0.32765063      -0.22506796 
O       6.46693758       1.86497799      -5.32811738      -0.38926230       0.43648101      -0.59912080 
O       1.31788341       7.99912912      -0.16712395      -0.36635014      -0.61151160       0.75229223 
O       1.30527208       7.01840945      -5.38345052      -0.25515028      -0.03820812      -0.07631618 
O       6.47532182       7.91589037      -0.07543116      -0.18957454       0.79535808      -0.49184480 
O       6.41954703       7.04792535      -5.42159043       0.89405009      -0.43123857       0.93150051 
O       3.62059170       3.78009164      -5.90842276      -0.29347097      -0.26124245      -0.63693143 
O       8.56919049       4.60291008      -0.89048983      -0.01411601       0.44254749       1.09224516 
O       8.64753425       3.72578829      -6.06843203      -0.62508438       0.96183608      -0.09094727 
O       3.44385226       9.77859201      -0.79981601       0.17305158       0.18060259      -0.41411437 
O       3.43708371       8.86148592      -6.10476710       0.13471492       0.48926380       0.20700226 
O       8.66419737       9.79988497      -0.82245233      -0.54103413       0.45612522       0.01905497 
O       8.62663116       8.85212999      -6.06769006       0.40285505      -0.07019172      -0.70745694 
O       0.86409091      -0.02315117      -1.80693626      -0.02793082       0.85380260      -0.42569043 
O       0.84375253      -0.84133716      -7.04919350       0.28097396      -0.09017795       0.26830789 
O       6.04360081       0.12689917      -1.73053589       0.23955975       0.02428238      -0.31391969 
O       6.03074323      -0.82238982      -7.03098527       0.42257987       0.37616327      -0.14166002 
O       0.82946598       5.23225184      -1.77961751      -0.29481862      -0.77283318      -0.18262640 
O       0.95687655       4.28372595      -7.04795443      -0.50729299      -0.34390808      -0.47761906 
O       6.07229724       5.18624025      -1.77160263      -0.34514280       0.15603373      -0.58000969 
O       5.92139327       4.34495123      -7.10127262       0.55759588      -0.34572740      -0.06216066 
O       1.80644349      -0.44403827      -4.40848895      -1.14955965       1.39813373      -0.20440167 
O       1.76096081      -1.29133169      -9.65313193      -0.13866664       0.28680235      -0.30576111 
O       6.99266687      -0.40274605      -4.37278854      -0.45893367       0.18423245      -0.07123630 
O       6.94878377      -1.16073052      -9.65554906       0.68259846      -0.61115865      -0.18193815 
O       1.58364990       4.64535202      -4.48197551       0.67133589      -0.23092347       0.21171785 
O       1.77085372       3.74691326      -9.69303898      -0.65571860       1.13349485      -0.24617603 
O       6.73839661       4.62255117      -4.63259979       0.03196162       0.28544403       1.23636737 
O       6.95312951       3.91284455      -9.61202025       0.65394411      -0.83381674      -0.41920631 
O       4.07107344       4.26919404      -3.33085886       1.50481763       0.59072265       0.96976846 
O       4.38175905       3.20010565      -8.80074810      -0.04730304       0.32652289       0.56336958 
O       9.39197010       4.25272343      -3.40150826       0.74480657       0.38655813       0.20047452 
O       9.47937701       3.37155083      -8.61722790      -0.01122779      -0.42039351      -0.52674101 
O       4.29488756       9.44117440      -3.40832892       1.21837899      -0.06359697       0.51505230 
O       4.38050026       8.46339369      -8.73218715      -0.21772928      -0.03799380      -0.04099852 
O       9.54561763       9.33990885      -3.56995308       0.20440216      -0.10653021       0.82960607 
O       9.54264268       8.43802497      -8.68528681      -0.20417808       0.11061621      -0.27021263 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0035340374566024874 0.0005099698181789871 -0.001403792272837539 0.0005099698181789871 -0.012473942560727697 0.001566178115086374 -0.001403792272837539 0.001566178115086374 -0.006851326805979068" pbc="T T T" energy=-961.27904601 free_energy=-961.27904601 config_type=crystal 
Hf       2.84066894       2.93909503      -4.10392494      -1.17255872       1.60323396       0.14862746 
Hf       2.76423460       2.13957506      -9.41792239       0.89574411      -0.33358674      -0.27035872 
Hf       8.10175782       3.06372469      -4.18154369      -2.18550255      -0.62999403       1.02351507 
Hf       8.01845030       2.14583025      -9.44309975      -0.06034431      -0.29245215      -0.13788685 
Hf       2.73527145       8.22224550      -4.23961581       1.16731301      -0.55747519       2.13460591 
Hf       2.88967123       7.23727439      -9.41493477      -0.30287747       0.12168339       0.67162773 
Hf       8.06999334       8.15642121      -4.19166888      -0.66510234      -0.16923305      -0.18077079 
Hf       8.00774944       7.21364088      -9.43615928      -0.34239368      -0.70302377       0.68061979 
Hf       0.17074195       0.79163887      -3.75881786      -0.23494335      -0.28884514       1.39428289 
Hf       0.15563862      -0.15140671      -8.98860913       1.07234896       0.19953622       0.38630606 
Hf       5.50900673       0.91072140      -3.71819467      -0.97167346      -1.63025625       0.56970175 
Hf       5.44264391      -0.00925861      -8.95889762      -0.08893130      -0.81500067      -0.44240654 
Hf       0.23154897       5.88382817      -3.77457042       0.44803239       0.49843140       1.10451720 
Hf       0.21027204       5.00221777      -8.96558281       0.57605126       0.88478492      -0.78796378 
Hf       5.36426815       5.89858410      -3.66512534      -0.41504081       0.30386504       0.42639602 
Hf       5.37932327       5.00018997      -8.95351985       0.57674381       0.13676799      -0.86969995 
Hf       2.34144290       1.16855672      -1.05408831       0.21986658      -0.02061066      -0.10301306 
Hf       2.39847045       0.37435761      -6.38616157      -0.90903098      -0.56853834      -0.29927548 
Hf       7.61836961       1.12971292      -0.97035370       0.28210792       1.50446983      -1.17872722 
Hf       7.52754367       0.37657362      -6.27600077       0.48084741      -0.24939294      -1.56010078 
Hf       2.46663089       6.41117789      -1.06094950      -0.92226238      -0.58234186      -1.00468611 
Hf       2.30938219       5.52119995      -6.31878509       1.76262335      -1.39102008      -0.33561097 
Hf       7.56124397       6.35611238      -1.15441741       0.56466550      -0.50818115       0.43164486 
Hf       7.50255761       5.44634143      -6.30478414       0.29804370       0.74903595      -0.97981402 
Hf       4.88306990       3.47347878      -1.47199647       0.06947259       0.10536325       0.49100629 
Hf       4.94945297       2.63629486      -6.75840164       0.58180859      -1.21084654      -0.36631780 
Hf      10.25655019       3.46576314      -1.51710940      -0.53447310      -0.34228464      -0.63128305 
Hf      10.17983750       2.56499277      -6.80608290      -0.32488938      -0.24124255      -0.43914697 
Hf       4.96421374       8.64141688      -1.58606569       0.14977677      -0.45313692       0.37967917 
Hf       4.99469782       7.79151622      -6.74190658       0.97192810      -0.60036204      -1.40528829 
Hf      10.18824958       8.54397226      -1.54554593       0.66036370      -0.50616613       0.03766199 
Hf      10.16462683       7.65469675      -6.83131340      -0.44159696       0.94805436       0.17061696 
O       1.35513365       2.26654984      -2.75593996      -0.83281201       0.11823270      -0.24598442 
O       1.36319714       1.42734811      -8.00707713      -0.21196683       0.16437900       0.13998290 
O       6.50599959       2.35512656      -2.77826253       0.76026532       0.84524722       0.23731102 
O       6.54703585       1.54871122      -7.97140297       0.45555272      -0.09774510      -0.18519295 
O       1.32020886       7.49344501      -2.80245892      -0.03970384       0.14822219       0.08502063 
O       1.33996548       6.59502156      -7.94626698      -0.30195284      -0.05677837      -0.06764441 
O       6.58751758       7.37730864      -2.74576994      -0.83144353       0.85547651      -0.47243534 
O       6.47208078       6.51660786      -7.94761725       0.46749286       0.63528811      -0.42050467 
O       3.95824179       1.54757462      -5.05564232       0.18195905      -1.44212420      -0.51405561 
O       3.87840090       0.57627190     -10.41545959       0.51611803       0.34220810       0.65177803 
O       8.96550741       1.42608474      -5.13776781       2.17256315       0.10912760       0.55813472 
O       9.19303045       0.45625078     -10.46693304      -0.21048044       0.43505481       1.33252068 
O       3.88600098       6.60312902      -5.02204443       0.39809904      -0.06545035      -1.19493948 
O       3.95218176       7.38969620      -0.00957716       0.38730263       0.50780216       1.83329123 
O       9.15996853       6.54134971      -5.17162138      -0.19712978       0.19158028      -0.67448716 
O       9.16495141       5.60850692     -10.47289286      -0.02868664      -0.23910284       0.25576344 
O       3.75749018       1.98730562      -2.43026705       1.00271346      -1.33820659      -0.33892107 
O       3.93016857       0.92080924      -7.72913914      -0.43389075       0.53143955       0.22209597 
O       9.07984065       1.93440636      -2.40952661      -0.04372090      -0.63203797      -1.53876647 
O       9.13077773       1.03401606      -7.83217518      -0.65086736      -0.24227775       0.36096112 
O       3.85773782       7.03009680      -2.47452974       0.32419646       0.11543772      -0.52291142 
O       3.90079874       6.20468980      -7.77522274      -0.65528879      -0.46322490       0.62051931 
O       9.00608359       7.03542102      -2.67256920       0.68934706      -0.70273925       1.39180303 
O       8.95959699       6.14652880      -7.85042856       0.86650859      -0.37671382       0.64304302 
O       1.25960320       2.85111488      -0.12116237       0.30069393      -0.72729227       0.21133691 
O       1.23701647       1.84418109      -5.41747389      -0.42441629       0.70494574       0.26331000 
O       6.47138795       2.76323935      -0.11513177      -0.06775528       0.10031378       0.38926069 
O       6.45755255       1.93154050      -5.32587781      -0.49136991       0.28959437      -0.62369669 
O       1.30578266       8.04065095      -0.05441372      -0.29343647      -0.97464100      -0.36857146 
O       1.28509589       6.99913072      -5.39150006      -0.58530437       1.10623002       0.17624642 
O       6.42817493       7.81648562      -0.16661268       0.34579341       1.21124916       0.44400984 
O       6.50576830       7.07180070      -5.37318557      -0.70754068       0.13708761      -0.02014631 
O       3.54296186       3.77391663      -5.99821179      -0.86874835       1.11781040       0.11368895 
O       8.74890976       4.58500225      -0.87081782      -1.02309422       0.98242403       0.83836256 
O       8.67282921       3.75682409      -6.10098227       0.16762526       0.06659858       0.49531944 
O       3.49292303       9.73186165      -0.69800854       0.40514618       0.93341844      -1.50257620 
O       3.51818049       8.95477065      -6.05414998      -0.47658430       0.21081938       0.01618617 
O       8.71805225       9.71480126      -0.74186612      -0.16004088       0.39430919      -0.24357243 
O       8.70963590       8.96797954      -6.01801274       0.37927699      -0.52128396       0.00791210 
O       0.93500800      -0.06705924      -1.83568770      -0.08528640       0.66917452      -0.12767069 
O       0.84776557      -0.87468082      -7.05689536       0.77739611       0.22203799       0.19723898 
O       6.08620933       0.10792708      -1.73912264      -0.52051411      -0.94818887      -0.65264028 
O       6.13424075      -0.79004300      -7.17553202      -0.38088932      -0.97291255       1.17592727 
O       0.93978171       5.17092174      -1.86846790       0.13058137       0.18882389       0.09723586 
O       0.90709811       4.24472406      -7.13484142       0.20321693       0.06487549       0.44747718 
O       6.07919661       5.12065237      -1.75400018      -0.51840646      -0.14066467      -0.66749167 
O       6.10274933       4.22940364      -7.09067039      -0.19786649       0.08393482      -0.03215908 
O       1.65480670      -0.37657841      -4.43856158       0.50219059      -0.29816708      -0.68003090 
O       1.77067158      -1.36685403      -9.68293017      -0.87264930       1.04138542       0.35657601 
O       6.84900993      -0.43219980      -4.51081778      -0.15026840      -0.12924055       0.77388401 
O       7.03702304      -1.32406271      -9.60453659      -0.58838062       0.40452019      -0.19133783 
O       1.68677441       4.68517673      -4.48226617      -0.16291005      -0.29555272      -0.48773138 
O       1.81038567       3.87344241      -9.71528457      -0.91066742       0.19255959       0.26022236 
O       6.79412725       4.69789770      -4.46698057       0.34525185      -0.36231342      -0.02258643 
O       6.89964443       3.81084349      -9.69199470       0.32963735      -0.21148155      -0.19392747 
O       4.03836915       4.28810456      -3.19452451       1.25078826       0.80038409      -0.46222986 
O       4.27906262       3.29115536      -8.69378998       0.05519216      -0.01008241       0.46040213 
O       9.49792410       4.21811546      -3.48526649       0.71485058       0.24033461       0.34278539 
O       9.45921391       3.38667433      -8.65416108       0.15211545      -0.51009562      -0.28100950 
O       4.32076261       9.36420060      -3.38132729      -0.42174300       0.36396099      -0.66628677 
O       4.47378319       8.45927388      -8.75975507      -0.61619908      -0.17778366       0.60690250 
O       9.48401025       9.34765294      -3.30543988      -0.30553379       1.01617166      -1.28974829 
O       9.50461649       8.46188273      -8.63773197      -0.30764751      -0.60902153      -0.43460569 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00038812815761192265 -0.0025791028818887137 -0.001420702405995313 -0.0025791028818887137 0.0002501619389501954 0.0012638098469998596 -0.001420702405995313 0.0012638098469998596 0.004800115811301695" pbc="T T T" energy=-961.73719064 free_energy=-961.73719064 config_type=crystal 
Hf       2.76090898       3.05050187      -4.12983304       0.80489428      -0.08780091       0.11484731 
Hf       2.85000046       2.04890880      -9.40361944      -0.75083586       0.56727801       0.14198011 
Hf       7.98202110       3.06346439      -4.15150887       0.53546529       0.50256014      -0.19528211 
Hf       7.96824367       2.10113565      -9.44655917       0.75944142      -0.66101125       1.11870620 
Hf       2.76729247       8.13404786      -4.14388314       0.36508848       0.68554300      -0.39230172 
Hf       2.79737642       7.22566703      -9.46138705       0.55554499      -0.02614246      -0.08094368 
Hf       8.01713230       8.21298311      -4.15303902      -0.27932434      -1.35927042      -0.43276734 
Hf       8.10287291       7.28212583      -9.40661946      -1.29973709       0.57896336      -0.28685165 
Hf       0.17565407       0.80870095      -3.79748837       0.65319368       0.75098864       1.02658199 
Hf       0.20995804      -0.04613813      -8.93906107      -0.17697930      -0.37403960      -0.26381209 
Hf       5.48798321       0.80299507      -3.64689654      -1.30866763       0.61030899      -0.56654649 
Hf       5.40853663      -0.08631562      -8.92186510       0.24705936      -1.57593331      -0.00109083 
Hf       0.10756470       5.99137542      -3.70836486       1.10737555      -0.34572457      -0.90030770 
Hf       0.21412050       4.98239079      -8.98865533       0.15448272       0.94133635       0.57620301 
Hf       5.43138104       5.95076775      -3.64823494       0.13258647       0.25131744      -0.67401580 
Hf       5.41469028       4.98423116      -9.03701430      -0.81324755       1.23625150       0.35958861 
Hf       2.41197264       1.24239809      -1.06441038      -0.24550494      -0.77375094      -0.38105854 
Hf       2.34995130       0.29504425      -6.39476197       0.66832699       0.20121345       2.19661301 
Hf       7.57908775       1.23949017      -1.10099841       0.28128575      -0.14536323       0.59031746 
Hf       7.53532382       0.34590373      -6.26892401       0.49042838       0.27855801      -1.25673043 
Hf       2.34475096       6.25650308      -1.06620672       0.66625957       0.88744627      -0.23521363 
Hf       2.46368607       5.46418825      -6.29882548      -1.48514528       0.03687749      -0.16198160 
Hf       7.61504461       6.38534627      -1.01567979      -0.54126472       0.86206273      -1.25917195 
Hf       7.53740832       5.46418179      -6.38339530       1.15039690       0.24282702       0.99124694 
Hf       4.94776829       3.50290155      -1.50407429      -0.00257406       0.13221389      -0.39414143 
Hf       4.93346823       2.53345520      -6.79300978       0.74828270       0.42733086       1.56123122 
Hf      10.16920750       3.44442721      -1.52905718       0.39080980       0.26566456       0.18210064 
Hf      10.21228389       2.57687942      -6.78805613      -0.91158413       0.69970888       0.10767337 
Hf       4.98213367       8.56866471      -1.62449762       0.29370700       0.05810759       1.16687875 
Hf       4.98540360       7.63718416      -6.80643194      -0.36256495       0.87989777       0.04767840 
Hf      10.23923964       8.65842423      -1.59524929      -0.99420503      -0.40421094       0.64469722 
Hf      10.22477022       7.75547979      -6.80486652      -0.92555603      -1.61646550       0.01904911 
O       1.34326669       2.33034092      -2.74216025      -0.22253328       0.23703396       0.73606600 
O       1.37613535       1.44573164      -7.86061833      -0.18741690       0.67408452      -1.35720480 
O       6.57806355       2.46880253      -2.65558293      -0.19222973      -0.61643601      -0.43479139 
O       6.52365748       1.49471316      -7.89033761      -0.31957291      -0.21539453      -0.84157145 
O       1.23587541       7.55854231      -2.76703687       1.11988882      -0.20333148      -0.32541457 
O       1.32681428       6.61842176      -8.08559956      -0.31359453       0.26769982       0.60952036 
O       6.52985072       7.54658322      -2.68310717       0.93153574      -0.35130373      -0.74285434 
O       6.60417904       6.55086648      -7.96646664      -0.78586220       0.65335319      -0.75137981 
O       3.95043951       1.47391276      -5.11670133      -0.03990198      -0.23013969      -0.01053414 
O       3.91779248       0.51936808     -10.39885008       0.20597838       0.59004867       0.30067153 
O       9.08514147       1.52722003      -5.14433425       0.37324615      -0.93963403       0.17916773 
O       9.18525612       0.55104815     -10.34434407      -1.02154946       0.08766174      -0.52125514 
O       3.94060624       6.47224684      -5.11713259      -0.04404519       1.12742696      -0.27132008 
O       3.99024733       7.40135409      -0.06472792      -0.56336948      -0.25454633       1.93203506 
O       9.12074413       6.57788019      -5.18113008      -0.16277052       0.62744780       0.24830210 
O       9.12849030       5.81788881     -10.42979783       0.48926325      -1.55138185       0.32200053 
O       3.88198170       1.91172366      -2.49676746      -0.00743436       0.00767436       0.33094360 
O       3.87263522       0.90006363      -7.69020549       0.12288707       0.40083400      -0.96650309 
O       9.10848618       1.97030482      -2.45142373      -0.57139993      -0.76692973      -0.92372267 
O       8.98783033       1.00275451      -7.77311212       0.52094455       0.15224792       0.13321146 
O       3.85374161       6.99373035      -2.46000659      -0.90101292      -0.00306238      -1.40301410 
O       3.78326185       6.08588420      -7.85171961       1.00512808       0.03279153       0.23621761 
O       9.08663227       7.01256820      -2.51867242      -0.83145999       0.50400131       0.20338703 
O       9.09449388       6.03595717      -7.76772490      -0.04653611       0.83578299      -0.41241385 
O       1.22723598       2.80791200      -0.01917963       0.57787316       0.16381703      -0.76495227 
O       1.19140224       2.03048226      -5.30270995       0.47562525      -0.59171487      -0.48517878 
O       6.38994269       2.76226954      -0.06734372       0.40861268       1.00043357       0.07850140 
O       6.50604520       1.97674920      -5.34644153      -0.75539255      -0.19331036       0.42675866 
O       1.29538707       7.92771732      -0.19753102      -0.14529805      -0.38092659       0.47830264 
O       1.23728111       7.11713782      -5.33879878       0.55850016      -0.02270300      -0.45324545 
O       6.39253091       7.93725045      -0.14204582       0.99805724      -0.10863520       0.73962185 
O       6.47111542       7.12191624      -5.32963555      -0.35426755      -0.23742197      -0.30698435 
O       3.48225344       3.75103031      -5.97177509      -0.08745782       0.27359322      -0.83477344 
O       8.69538228       4.63707874      -0.75287619      -0.59167315       0.43756326      -0.60323597 
O       8.70672714       3.76659654      -6.11625222      -0.76443141       0.41702099       0.23857803 
O       3.54691942       9.75112183      -0.83180437      -1.05442363       1.36961776      -0.00380357 
O       3.42617567       8.89821664      -6.06235787       0.25662030      -1.12217460       0.03041231 
O       8.64686106       9.80292650      -0.82649285       0.69812999       0.20645309      -0.21910639 
O       8.66992211       8.92197652      -6.11335217      -0.16017570      -0.04155569       0.70549957 
O       0.92404281      -0.00513851      -1.88795373       0.56682517       1.06320756       0.45863547 
O       0.76115893      -0.78650688      -7.06459859       0.81988292      -0.03116425       0.58266660 
O       6.18747377       0.01140327      -1.82578061      -0.93231548       0.15212160      -0.82950395 
O       6.02983813      -0.87818807      -7.02374869       0.26669240       0.07082498      -0.28733418 
O       0.82247030       5.17265769      -1.80792825       0.57902961       0.24487599       0.17970501 
O       0.89337429       4.34411369      -7.01607812      -0.30315763      -0.60638474      -0.81650669 
O       5.98722691       5.26381684      -1.72229094       0.42859591      -0.34260961       0.27835733 
O       5.98513701       4.37293250      -6.99888541      -0.58055178      -1.08680361      -0.72871749 
O       1.69713333      -0.33348205      -4.44853503       0.43137277      -0.80780763      -0.30176161 
O       1.80941720      -1.26498738      -9.62500832      -0.59599862       0.13681827      -0.54599937 
O       6.93948487      -0.36890669      -4.39458649       0.21413234      -0.00713726      -0.37030183 
O       6.88886377      -1.30751536      -9.80112801      -0.22495557      -0.18067768       1.58203287 
O       1.68739700       4.77061863      -4.41869920       0.26882633       0.08342466       0.16891634 
O       1.76667911       3.82464529      -9.65971611       0.54379639      -0.55298736      -0.36908115 
O       6.88859830       4.75373679      -4.40487066       0.31237812       0.08151694      -0.37614352 
O       6.88176731       3.84115687      -9.71826548       0.68160796      -0.68769717       0.49645680 
O       4.36566864       4.26940181      -3.41168102      -0.94013385      -1.05010035       0.67812654 
O       4.33544150       3.22851821      -8.66721142      -0.08430207       0.17353545      -0.51451262 
O       9.47352841       4.31217857      -3.46148466      -0.47727317      -1.30245880       0.59012649 
O       9.54535444       3.27070662      -8.80770095       0.13508118       0.00476380       0.73207280 
O       4.39959887       9.34507070      -3.52966234      -0.65022731      -0.38192913       0.35342779 
O       4.24274428       8.46615570      -8.65607797       0.87500062      -0.04862179       0.13110059 
O       9.45588829       9.43378013      -3.46292629       0.16267525      -0.37589964       0.14937739 
O       9.52809232       8.51173933      -8.70394089      -0.06635134      -0.57371331       0.05216718 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.000193983937828785 -0.0035042678922605837 -0.0022753027429521207 -0.0035042678922605837 -0.0007144201988345479 0.0023243394340260242 -0.0022753027429521207 0.0023243394340260242 0.0004992666411525757" pbc="T T T" energy=-961.74197634 free_energy=-961.74197634 config_type=crystal 
Hf       2.84621299       3.08155904      -4.19323389      -0.85556264      -0.74786140       0.48981798 
Hf       2.84236848       2.08416378      -9.34567060      -0.35060889       1.53272960      -0.82699025 
Hf       7.99347837       3.08092385      -4.15594936       0.28948834      -0.72102570      -0.24047069 
Hf       7.92047803       2.04977585      -9.41849993       0.52688460       0.69709267      -0.23447881 
Hf       2.78148561       8.08940353      -4.18444144       1.04721274       0.90403985      -0.55275136 
Hf       2.78799326       7.19455652      -9.48546678      -0.11077940       0.85759590       0.32421034 
Hf       8.03323653       8.20225739      -4.12817909      -0.18359826      -0.49041521      -0.56983788 
Hf       8.04706777       7.29659038      -9.40006573      -0.54745777      -0.16449621       0.37813460 
Hf       0.25462478       0.80109066      -3.80265413      -0.17928299       0.42078360       0.82873612 
Hf       0.23341902      -0.06514366      -8.94837792      -0.76940689      -0.80628983      -1.08675456 
Hf       5.38221240       0.79621917      -3.63877245      -0.34159515      -0.03186063      -1.38588193 
Hf       5.30636439      -0.18267418      -8.89834484       2.43853915       0.67703098      -0.60833029 
Hf       0.20960560       5.98744825      -3.70427383      -1.06289991      -1.08958897      -0.34849284 
Hf       0.25842544       5.02739344      -8.92918201      -0.78052272       0.01434707      -0.48468030 
Hf       5.41361686       5.96915348      -3.68326027       0.60452841      -0.08076944      -0.57625390 
Hf       5.40475799       5.02525819      -8.97227116       1.27586776       0.17294785       0.47780842 
Hf       2.40128331       1.29531045      -1.10359437      -1.07467991      -0.86793011       0.33968260 
Hf       2.41810686       0.26461683      -6.35495205       0.39328473       0.60987404       0.75495650 
Hf       7.50364766       1.20057447      -1.19026410       0.97282182       0.81480439       1.38439226 
Hf       7.55162069       0.32994209      -6.28296067       0.22294861      -0.14899970      -1.23310264 
Hf       2.39911122       6.35600888      -1.16741493      -0.85687604      -0.62827636       1.01255105 
Hf       2.35544808       5.48199284      -6.30194373       0.45832128       0.30489321      -0.64487427 
Hf       7.64826508       6.40577769      -1.00588863      -0.61155157       0.15042668       0.35680071 
Hf       7.59467204       5.44356972      -6.30566314      -0.49614475       2.07449244      -0.89426415 
Hf       4.91265585       3.57702358      -1.44248720       0.36633455       0.10002743      -0.31618952 
Hf       5.02621159       2.52525514      -6.77379928       0.20646901       0.96069855       0.13144399 
Hf      10.13236362       3.44585447      -1.54310927      -0.15292516       0.04685502      -0.05142022 
Hf      10.18197239       2.53543046      -6.85689954      -0.96014603       0.74761501       0.46326340 
Hf       4.98580986       8.59424864      -1.57638720      -0.14851621      -0.46003811       0.78366936 
Hf       5.03054455       7.63018294      -6.81573924       0.12358442       0.02859875       0.59950526 
Hf      10.15920944       8.65995650      -1.54856264       0.31647255       0.08657542       0.68891212 
Hf      10.19721869       7.72255393      -6.81723159      -0.58645615       0.26147926       0.58146618 
O       1.32647899       2.41462541      -2.84406129       0.42687710      -0.46419802       0.52621213 
O       1.35339026       1.52886946      -7.97721882      -0.06787313      -0.23150974      -0.22760399 
O       6.50622869       2.40112594      -2.72203945       0.08423135      -0.49569308      -0.50219600 
O       6.52085802       1.48166286      -7.93299403      -0.45496726      -0.38297142      -0.42146816 
O       1.34432026       7.45669036      -2.80289585       0.11756399       0.74287559       0.88257780 
O       1.38473404       6.64567424      -7.94787525       0.48272843      -0.35209849      -0.25100401 
O       6.58547454       7.51305543      -2.64099667      -0.25322696       0.42227677      -0.65411437 
O       6.59850688       6.66056766      -7.88799367      -0.16410644      -0.32669927      -0.76685816 
O       3.94484891       1.33583227      -5.19781782       0.21502477       1.16945239       1.29632821 
O       3.93212807       0.60601350     -10.33425447      -0.53262810      -0.27022858      -0.24542106 
O       9.05834937       1.46092087      -5.15499297       0.65041662       0.08628044      -0.15783519 
O       9.07550832       0.54506464     -10.39908246       0.33449029      -0.28082149      -0.26932411 
O       3.99469064       6.48188916      -5.19498088      -0.89422143       0.38072025       0.38605509 
O       3.97943114       5.61459709     -10.43088443      -0.56175070       0.25496692      -0.47610920 
O       9.15302397       6.68687241      -5.13674022      -0.27336031      -0.73406874       0.73872083 
O       9.13887862       5.72132458     -10.32236571       0.33712427      -0.20302115      -0.26571247 
O       3.94609315       1.88598112      -2.41013060      -0.63057309       0.02923682      -0.36949227 
O       3.93371509       0.99484098      -7.68544621      -0.83363765      -0.79343946      -0.86938814 
O       9.00263391       1.97062052      -2.57107643       0.15496994      -1.11058941       0.33991629 
O       8.94718402       0.99133367      -7.85063532       1.22077285       0.11725127       0.78340413 
O       3.84156917       7.08103515      -2.58262571       0.05751309      -0.90029897       0.31406611 
O       3.94980072       6.04398419      -7.80436659      -0.92395153       0.45094927       0.05278437 
O       9.08446589       6.99341712      -2.41333695       0.19173494       0.55973797      -0.84063243 
O       9.11419928       6.23313848      -7.74425988      -0.28637570      -1.01645446       0.09842967 
O       1.23058238       2.76425030      -0.10115613       0.28348506       0.43194906      -0.07863100 
O       1.19290374       1.82937164      -5.40337790       0.42427737       0.39528457      -0.26180875 
O       6.38638038       2.89650259      -0.16837310       0.60534799      -0.56452182       0.69390907 
O       6.47400922       1.92138138      -5.41416431      -0.31912140       0.32928842       1.01087318 
O       1.22918000       7.94655771      -0.14986403       0.80235010      -0.20691789       0.12639361 
O       1.22425791       7.06955758      -5.32230971       0.71177574       0.24325310      -0.64321652 
O       6.51270579       6.26871951     -10.47205292      -1.07402986      -0.98458476      -1.04168521 
O       6.44155846       7.07816142      -5.31148413       0.22817364       0.26287464       0.64322701 
O       3.41999241       3.74503655      -6.00336988       0.79023318      -0.21474734      -0.94721031 
O       8.61225722       4.63963576      -0.86858760       0.12056111      -0.06695864       0.38509914 
O       8.71577459       3.89059869      -6.12615732       0.92778803      -2.16382931       0.83191836 
O       3.40354530       9.75532492      -0.86868557       0.26812241       0.20849520       0.44988366 
O       3.51721263       8.85589905      -6.05634849      -0.09746313      -0.30658862      -0.18116451 
O       8.58916978       9.71154962      -0.90927779      -0.00246289       0.66305224      -0.04093416 
O       8.67926829       8.89573649      -6.02502083       0.04645934       0.69606795      -0.20105546 
O       0.76556805       0.18229256      -1.68444315       0.36452266      -0.16641444      -1.27095203 
O       0.87832457      -0.77362456      -7.07609495      -0.43821644      -0.61720006       0.07070928 
O       6.09034072      -0.05575474      -1.85935759       0.04948426       0.82385120      -0.23678210 
O       6.16503042      -0.94426925      -7.14630910      -0.46725733       0.22526459       0.23360391 
O       0.87191896       5.14844143      -1.88453442       0.86632791       0.31985730       0.67648527 
O       0.84472475       4.31041635      -6.99331852       0.16090114      -0.27601408      -0.78459139 
O       6.04665254       5.29072867      -1.83243304      -0.40038552      -0.88316098       0.96835286 
O       6.11289327       4.30585080      -7.05110534      -0.98308649      -0.62263806      -0.18987771 
O       1.83194471      -0.39581142      -4.44872110      -0.86422419      -0.03134028       0.58735410 
O       1.64109930      -1.35122252      -9.68232450       1.22980181      -0.02037310      -0.16153045 
O       6.86903182      -0.39890228      -4.47407508       0.06750825      -0.26195680       0.71983862 
O       6.91317966      -1.31014090      -9.80600669      -0.72307952       0.90076125       0.53102405 
O       1.66644320       4.78557804      -4.48300520       0.61951838      -0.77145063       0.43235130 
O       1.70503598       3.80683910      -9.77167954       0.80221356      -0.07348433       0.09874009 
O       6.85620676       4.72470416      -4.48496734      -0.19473895       0.11297678       0.67111914 
O       7.00219218       3.88249494      -9.56570595      -0.23533477      -0.06234120      -0.94840891 
O       4.25837772       4.20882210      -3.34255598       0.28435037       0.76950988      -0.14342858 
O       4.40117196       3.23788349      -8.72456215      -0.51190242       0.11360352      -0.01937114 
O       9.49729507       4.19624020      -3.42128832       0.07137079       0.88355185      -0.48498866 
O       9.50904182       3.38408686      -8.73749646       0.04798789      -1.11968927       0.42658971 
O       4.27048481       9.34837448      -3.40728274       0.37215525       0.20006794      -0.08741338 
O       4.27240639       8.46421198      -8.66990493      -0.72733320      -0.91648873      -0.29273229 
O       9.62259891       9.34190285      -3.47753365      -0.45621556      -0.28025174      -0.00843754 
O       9.60328585       8.41636891      -8.70564850      -0.10456938       1.16360474      -0.25716673 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0005812960306055166 -0.0004886082469541425 -0.0035799267793185366 -0.0004886082469541425 0.001215131917870512 0.002230023964658766 -0.0035799267793185366 0.002230023964658766 0.0008596077249662487" pbc="T T T" energy=-961.41534648 free_energy=-961.41534648 config_type=crystal 
Hf       2.75278252       3.02370165      -4.08714900       1.01035535       0.42837769      -0.45756829 
Hf       2.79139151       2.09080146      -9.41315366       0.26202833       0.77717421       0.49170112 
Hf       8.07541645       3.05904845      -4.07039416      -1.52907314       0.13305415      -1.18349664 
Hf       7.96684805       2.08753866      -9.41687171       0.64069717       0.21393930       0.44581695 
Hf       2.85588116       8.12557764      -4.14825999      -0.56895409       0.10837159      -0.59714340 
Hf       2.74518129       7.27132087      -9.45907146       1.18644282       0.49486529       0.03773296 
Hf       8.03963903       8.21152416      -4.11198855      -0.37495434      -1.88929662      -0.21288131 
Hf       7.96442586       7.30095527      -9.41319220       1.40314414      -0.37892448      -1.10240660 
Hf       0.23344790       0.80522235      -3.77777898       0.54260016      -0.10076800       1.30711908 
Hf       0.16638042      -0.07933009      -9.05115093       2.08861706      -0.48389314       1.63549630 
Hf       5.43299289       0.77561386      -3.75386967      -0.49267556       0.45340069       0.64663801 
Hf       5.36894783      -0.10617217      -8.95747552      -0.63036709      -0.38562238       0.71725598 
Hf       0.24033584       5.99089692      -3.70526372      -0.52465636      -0.11016268       0.01171719 
Hf       0.22469730       5.01495790      -8.99297138      -1.20708106       0.05718510      -0.49539054 
Hf       5.31544997       5.91474179      -3.68269797       0.73819822      -0.31285785      -0.29437294 
Hf       5.45746598       4.99840887      -8.99609415      -1.87673802       0.98188650      -0.41822388 
Hf       2.45409604       1.22558329      -1.12627385      -0.98517638       0.14118118       0.50198330 
Hf       2.45201933       0.27918101      -6.30119945      -0.51483888       0.19568816      -0.83088638 
Hf       7.50556768       1.25963243      -1.09765618       0.65797597      -0.50962891      -0.09185579 
Hf       7.58841844       0.29960586      -6.33921839      -0.86694442       0.61858862       0.05562290 
Hf       2.35918007       6.33127595      -1.05190597       0.97129824       0.78908644      -0.43146498 
Hf       2.35016545       5.49825649      -6.38138181       0.74206605      -0.54818703       0.39317903 
Hf       7.55451335       6.34457497      -1.04633006       0.95308880       1.26142813      -0.89760397 
Hf       7.52499504       5.43665497      -6.33009989       1.43742999       1.19971765       0.69155030 
Hf       5.01722575       3.50821537      -1.46273464      -1.77454104      -0.09956734      -0.77671052 
Hf       5.05997226       2.61769754      -6.72856055      -2.44596114      -0.74444755      -0.30673546 
Hf      10.13880757       3.45966124      -1.56550187       1.53696666       0.29762919       1.37042312 
Hf      10.18995183       2.54187001      -6.81202477       0.26963300       0.64478862      -0.05807236 
Hf       5.02312837       8.54655335      -1.56013796      -0.75258449       0.93192478       0.35021562 
Hf       5.05840717       7.63353945      -6.78365975      -1.54414379       0.71014529      -0.61019717 
Hf      10.19942237       8.67052839      -1.54482643      -0.37583880      -0.03071216       0.59977660 
Hf      10.15185581       7.71152184      -6.81431631       0.37451050      -0.18431730      -0.87422181 
O       1.34145389       2.38057367      -2.71322337      -0.46074359      -0.10586617      -0.22557483 
O       1.38706521       1.46257516      -7.99497751      -1.30195489       0.30302558       0.57372109 
O       6.49035118       2.42703771      -2.66767614       1.06887240      -0.33494147      -0.85834387 
O       6.44557503       1.48379973      -7.95379412       0.75712833       0.21400127      -0.32875706 
O       1.24802737       7.57275993      -2.71971641       0.67128097      -0.49065456      -0.76656142 
O       1.19278758       6.58300029      -8.11781913       1.36605552       0.86710317       1.00984421 
O       6.46896400       7.54362039      -2.69387006       0.63744640      -0.46344295      -0.55291692 
O       6.63046472       6.73586467      -7.97239653      -1.35677177      -0.90508720       0.51507630 
O       3.91910280       1.37949711      -5.09097521       0.31604691       0.28618928       0.02101818 
O       3.98383641       0.64083751     -10.36117199      -0.35314414      -0.18494147      -0.35025638 
O       9.17093861       1.55072085      -5.15892596      -0.23823343      -0.75744968       0.30969287 
O       9.13696338       0.56151940     -10.29957776      -1.52107377       0.36912432      -1.52653865 
O       3.88002178       6.42028831      -5.15942527       0.34234227       0.92371630       0.40987292 
O       3.99627484       5.71828528     -10.48580427       0.08655337      -0.40215657       0.87036123 
O       9.05616886       6.52653740      -5.11211436       0.55987479       0.78643935      -0.34154361 
O       9.17286788       7.46317490      -0.01717801       0.10192217       0.27738947       0.98219345 
O       3.84186155       1.91770651      -2.48402616       0.51118843      -0.42771567      -0.18380883 
O       3.83743612       0.95093317      -7.72677777       0.72954226       0.67320731      -0.14270376 
O       9.13783752       1.91218064      -2.48111246      -1.25989785      -0.48536561      -0.33243937 
O       8.98285193       1.00149732      -7.73536116       0.27727407      -0.07328488      -0.14324961 
O       3.84299212       7.04962973      -2.55729619      -0.51128625      -0.70471450       0.36337283 
O       3.84322060       6.15754612      -7.80875983      -0.21876340      -0.20635213       0.17539497 
O       8.95281275       7.06660842      -2.55541523       0.55016656      -0.18651563       0.32630910 
O       9.04739270       6.05845134      -7.85662874      -0.30142073       0.40749094       0.76249744 
O       1.19295569       2.94652340      -0.07587397       0.44776172      -0.65241093      -0.39486550 
O       1.30352807       1.90948797      -5.28732817      -0.48965490      -0.08879323      -0.77526789 
O       6.44330558       2.87945965      -0.14906515       1.11210424      -0.40035896       1.18526167 
O       6.46267403       1.94447483      -5.32145412       0.16084381      -0.29439914      -0.21356990 
O       1.36630374       8.08818866      -0.17939714      -1.02898089      -1.05992650       0.07540505 
O       1.22916733       7.06949470      -5.41502368      -0.10031795      -0.10791208       0.10347670 
O       6.48363468       7.98298440      -0.07579175       0.19776396      -0.31964494      -0.14954207 
O       6.39244727       6.97423345      -5.34014863       0.20898542       0.63260181       0.28302478 
O       3.38639497       3.73224413      -5.99102099       1.04061758      -0.12024423      -0.49358577 
O       8.73109872       4.70727132      -0.80183307      -0.47078994      -0.39929243       0.40630779 
O       8.68196311       3.85276722      -6.02453507       0.68393268      -1.19590898       0.11436687 
O       3.37650913       9.71661830      -0.93817424       0.54262568       0.71414158       0.23432642 
O       3.46079135       8.78563289      -6.13225921      -0.10776504       0.08489027       0.96403074 
O       8.72861523       9.92289389      -0.76773011      -0.44290573      -0.35743686      -0.44058118 
O       8.67218813       8.89245460      -6.15712617      -0.44956235       0.06258208       1.05274943 
O       0.87781981       0.13320055      -1.78149355      -0.36952129      -0.27638499      -0.54736312 
O       0.90060708      -0.81092707      -7.11785609      -0.82163712      -0.90264749       0.35297038 
O       6.03653800       0.10350694      -1.87157817      -0.02706552      -0.68430968       0.55028686 
O       5.99716118      -0.82038985      -7.00582010       0.76040165      -0.00501181       0.02922920 
O       1.04729643       5.11990741      -1.87769193      -1.10638991      -0.13466383      -0.04649925 
O       0.93983761       4.26482399      -7.10479305      -0.85570501      -0.53627564      -0.05237362 
O       6.02071068       5.21881692      -1.68732724      -0.22706798       0.35351463      -0.70965019 
O       6.06091748       4.32461981      -7.11111125      -0.15808048      -0.16177667       0.03871752 
O       1.69836333      -0.46870193      -4.41658070       0.36335785       0.02870412      -0.11630000 
O       1.81178078      -1.17695454      -9.67407492      -0.22802097      -0.33132880      -0.22946613 
O       7.01961130      -0.36947597      -4.36927557      -0.26303110       0.48387340      -0.65402055 
O       6.81888940      -1.29386507      -9.78442347       0.16268778       0.14289990       0.56940006 
O       1.72350224       4.80054001      -4.35470170      -0.12442404      -0.17670626      -0.85260437 
O       1.76365086       3.91928293      -9.70810280       0.11732179      -0.61853593      -0.15779616 
O       6.79232266       4.67293353      -4.42492615       0.54165875      -0.11279267      -0.05874096 
O       6.87545219       3.79641209      -9.70145247       0.47194212      -0.04628055       0.18951802 
O       4.31397817       4.18253890      -3.33214612      -0.23552099       0.46575236      -0.23942059 
O       4.23560189       3.41879809      -8.69883960       0.39485758      -0.86076146       0.40248274 
O       9.45254542       4.25949595      -3.33503357       0.49489357       0.87085461      -0.56287914 
O       9.50129513       3.26721191      -8.71072007       0.08769348       0.08308325       0.42909042 
O       4.41090518       9.25239803      -3.50365123      -0.05925060       0.71265464      -0.38051530 
O       4.31551957       8.46543394      -8.70456736       0.18796882      -0.05479305      -0.24764238 
O       9.52112874       9.35564853      -3.40981338       0.19647509       0.66126960      -0.62317230 
O       9.47845362       8.45564077      -8.76616116       0.53483384       0.35929151       0.84423766 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0014119593936344126 -0.0017191765466061158 0.004322229078927776 -0.0017191765466061158 -0.005211920278695906 0.0011651920180110022 0.004322229078927776 0.0011651920180110022 -0.0066004783634401164" pbc="T T T" energy=-960.97219816 free_energy=-960.97219816 config_type=crystal 
Hf       2.73678271       2.99554033      -4.20376703       0.78875721       0.98328310       0.60827504 
Hf       2.85246379       2.15706668      -9.39431372      -0.62832334      -0.59823055      -0.35742465 
Hf       7.96180055       3.00911122      -4.20858071       1.33170426      -0.78162464       0.75138997 
Hf       7.97658822       2.19066919      -9.44783751       0.70889573      -0.76095829      -0.15563671 
Hf       2.82088893       8.15634703      -4.17972090       0.55234791       0.26466769      -0.58934029 
Hf       2.78659857       7.20488777      -9.46093321       0.66267097       1.41933445       0.87918149 
Hf       7.97929095       8.14472308      -4.15603599       1.05450604       0.91062455      -0.82152743 
Hf       8.08333676       7.29360393      -9.37898853      -0.45133915      -0.96040132      -0.13408014 
Hf       0.29700502       0.71877118      -3.73247337      -1.16001946       0.43082527      -1.43284488 
Hf       0.22528186      -0.14133573      -8.98145014      -0.11981499       0.78994232       0.03480414 
Hf       5.40384343       0.83525078      -3.65893094      -0.10568242      -1.28239916      -0.16373925 
Hf       5.40600430      -0.08602748      -8.85921840       0.29131050      -0.97118561      -1.03089646 
Hf       0.16093362       5.89771651      -3.68615171       0.74849089      -0.05764136      -0.76809107 
Hf       0.21610213       4.92371358      -8.93703151       1.00336725       1.49996580      -0.27205906 
Hf       5.45221504       5.92170733      -3.67947418      -0.77836049       0.19974821      -0.98383129 
Hf       5.43028559       5.06143810      -8.98891963       0.21688358       0.88968946       1.22646036 
Hf       2.43833728       1.26974508      -1.12372210      -0.68046370      -0.44392094       1.12022410 
Hf       2.36282592       0.40597975      -6.42647363      -0.39477898      -2.00121416       0.96337955 
Hf       7.55495119       1.14066879      -1.05162445      -0.29687978       0.95671293      -1.26756708 
Hf       7.51638263       0.37923785      -6.34415640       1.85011370      -1.85259709       0.66460306 
Hf       2.36172112       6.32789305      -1.10978131       0.15513645      -0.49772354      -0.54992795 
Hf       2.38338686       5.48510542      -6.34344992      -0.28392428       0.04405312      -0.18514430 
Hf       7.57914198       6.46036018      -1.05196394       0.75995278       0.09037876      -0.39751053 
Hf       7.65716427       5.53191895      -6.33471899      -0.87232946      -0.62320189      -0.59045869 
Hf       4.92816534       3.53790021      -1.40619435      -0.00341470      -0.15470610      -0.92197732 
Hf       4.89393794       2.52238805      -6.80387180       1.30904427       1.72526896       0.62307604 
Hf      10.14346014       3.37028992      -1.52517899       0.01696733       0.89689189      -0.94037310 
Hf      10.11785191       2.50560538      -6.80290406       1.08320913      -0.00026035      -0.07753676 
Hf       4.93929760       8.59644912      -1.53795590       0.40655395       0.30121611      -0.42694084 
Hf       4.93007663       7.76397017      -6.76565145      -0.58751370      -1.71992799       0.53727057 
Hf      10.28604512       8.65368597      -1.59682764      -1.31917795      -1.60397782       0.05338205 
Hf      10.23708013       7.72486130      -6.75770545      -0.52960288      -0.02615883      -0.09055765 
O       1.40865905       2.32294454      -2.69397947      -1.11090936      -0.03518117      -0.67421936 
O       1.37268525       1.41015011      -8.05036159      -0.38446290       0.34361447       0.24533618 
O       6.56323681       2.25334997      -2.72869745      -0.09972962       1.28405012      -0.08426026 
O       6.56793541       1.44837091      -7.92671657      -0.58404411       0.00455683      -0.72627595 
O       1.34641443       7.43746620      -2.83523954      -0.22779476       0.64588772       0.97231576 
O       1.41304084       6.65527021      -8.01535579      -1.04461070      -0.61776490      -0.05572429 
O       6.56005686       7.60744927      -2.75668739      -0.53768169      -0.95373744       0.46443497 
O       6.61843182       6.54735848      -7.99404853      -0.28874273       0.45415733       0.07510815 
O       3.87740810       1.43688322      -5.10662644       0.63440301       0.20999792      -0.05508483 
O       3.96407033       0.61668491     -10.27609562       0.15064274      -0.05055306      -0.89531903 
O       9.08279046       1.36108556      -5.13935119       0.35197490       0.59642328      -0.80525345 
O       9.07991744       2.36277051      -0.02954077       0.31675929      -0.38234781       1.05482720 
O       3.99462590       6.62081168      -5.15669186      -0.39374599      -0.57057326       0.73999110 
O       3.98148873       5.70129719     -10.41446655      -0.52342771      -0.15724108       0.14868526 
O       9.24507357       6.65278310      -5.16985581      -1.07078066      -0.71698558       0.22175527 
O       9.16064681       5.65895899     -10.30771088      -0.19942154       0.53365382      -0.75189563 
O       3.86842923       1.89119473      -2.40125068       1.01308534       0.58131333      -0.54590876 
O       3.83316654       0.93504756      -7.72055460       1.49018948       1.09822394      -0.70379934 
O       8.98762938       1.79780713      -2.62962517       1.14370865       0.69095281       0.90611317 
O       9.09707992       0.98851435      -7.87007810      -1.01677441       0.17925317       0.64268725 
O       3.84019942       7.02059077      -2.56810403       0.23470549      -0.14353271       0.65078021 
O       3.81567843       6.10737163      -7.69519432       1.23546296       0.32548556      -1.43841211 
O       9.09383846       7.01142745      -2.50103931      -0.48440999       0.38824016       0.24193356 
O       9.10508918       6.11969639      -7.79211986       0.27121727      -0.03423021       0.62519284 
O       1.28619363       2.74492086      -0.10411026      -0.65776499       0.81770617      -0.85026350 
O       1.25870922       1.88317317      -5.44901376      -0.39621820       0.68309337       0.67998518 
O       6.46834204       2.89167400      -0.04279366      -0.32641998      -0.21064109      -0.40537613 
O       6.47654351       1.90264996      -5.45625234      -1.02532071       0.76590491       1.15483096 
O       1.35756342       7.91748614      -0.10452482      -0.53830241      -0.16112502      -0.67380359 
O       1.35214301       7.06342748      -5.46227222      -0.06757104       0.14721286       0.79304542 
O       6.47056920       8.00688733      -0.12953417       0.10321806      -0.29737928       0.12355850 
O       6.44531424       7.04340656      -5.35447332       0.80116239       0.00644920       0.02659370 
O       3.48667628       3.74945758      -6.01516981       0.21843437      -0.05522204      -0.40560529 
O       8.73751763       4.76417089      -0.78150929      -0.25165876      -0.45549236       0.03261287 
O       8.82931932       3.79264443      -6.05264377      -1.27874868       0.43766685       0.23373768 
O       3.56781150       9.86082697      -0.78581107      -0.81511113      -0.01078539       0.74881212 
O       3.54189758       8.94887195      -5.96483242      -0.09263500       0.35033243      -0.68743571 
O       8.73394659       9.78826540      -0.87873085       0.18455487      -0.21982276       0.76220851 
O       8.70732718       8.91433616      -6.04124392      -0.65404613       0.32345328      -0.08124629 
O       0.98361639      -0.05038435      -1.96142317       1.18259626       0.84504403       0.72823294 
O       0.89251044      -0.88471609      -7.09072993       0.58611017       0.81725558      -0.51843653 
O       6.04106869       0.00910759      -1.79195738       0.30006344       0.18787446      -0.17716773 
O       6.02160590      -0.91248469      -6.96550352       1.44530366       1.89972598      -0.73032149 
O       0.95477065       5.11582336      -1.90430325      -0.01362412      -0.37661899       0.70711393 
O       0.96084347       4.21081155      -7.12166465      -0.09893615       0.09124554      -0.26874854 
O       6.01316763       5.29061716      -1.79405424       0.10799201      -0.66049300       0.76181755 
O       6.13128866       4.18430055      -7.08910790       0.04503995       0.52335068       0.37993731 
O       1.73569857      -0.41820196      -4.65394527      -0.89442090      -0.08301746       1.89243782 
O       1.63488715      -1.26575431      -9.78384090       1.14986839      -2.15519949       0.02598229 
O       6.92454041      -0.41328076      -4.38136762      -0.45555205       0.58435683      -0.41755455 
O       6.82754046      -1.37149847      -9.75451970       0.20047359       0.42792164       0.84385561 
O       1.60899973       4.69784533      -4.52848985       0.49485880      -0.40884329       0.24293303 
O       1.65240373       3.66015245      -9.81710885      -0.18071941       1.51881291      -0.36714570 
O       7.07444431       4.83549547      -4.39558468      -0.84638354      -0.35284935       0.04668472 
O       6.91840982       3.90954566      -9.62382899       0.61299100      -0.64036403      -0.88897851 
O       4.26533548       4.17352530      -3.38654146       0.53312568       0.48103330       0.35225584 
O       4.25321125       3.44715533      -8.75863886      -0.16324173      -1.62026540       0.88358963 
O       9.48704349       4.21125701      -3.45371581      -0.29546179      -0.96363667       0.79333009 
O       9.57349188       3.29984902      -8.71089595      -1.12862174      -0.89328030       0.28114432 
O       4.22358416       9.45311927      -3.35096632      -0.11934251      -0.51693905      -0.13621108 
O       4.24753410       8.55563476      -8.56148838      -0.58923578      -0.81013471      -0.94106616 
O       9.60141954       9.33349946      -3.50017228      -0.35107795      -0.65452580       0.55531246 
O       9.46699229       8.50332730      -8.57734951      -0.29962895      -0.08668382      -1.06921453 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0034246700761744134 -0.0024292952159397784 -0.0010657607830698412 -0.0024292952159397784 0.000263473817130861 0.0029841947934633106 -0.0010657607830698412 0.0029841947934633106 0.00266695612364287" pbc="T T T" energy=-960.94624336 free_energy=-960.94624336 config_type=crystal 
Hf       2.73930911       3.01122586      -4.22775803       0.69526321       0.40748296       0.86623225 
Hf       2.80832800       2.14263961      -9.34051880       0.58992093      -0.49199785      -1.00252942 
Hf       7.98665600       3.05070081      -4.16710896       1.21682387       0.88427077       0.27653587 
Hf       8.07864669       2.13615765      -9.33292614      -0.87060647       0.16293721      -1.45601283 
Hf       2.86757357       8.15620570      -4.18235014      -1.38533279       0.08244413       1.01490577 
Hf       2.78934504       7.20515407      -9.42108990      -0.05933611       0.57668071       0.22159794 
Hf       8.01770116       8.14571001      -4.13735198      -0.14353303       0.14649447      -1.58743904 
Hf       8.01764215       7.20843609      -9.53864720      -0.05730251       0.19162200       1.25141065 
Hf       0.14719983       0.81621895      -3.63835694       0.54836123      -0.86359925      -0.63025538 
Hf       0.18969956      -0.14755459      -8.95831788       0.08065056      -0.63571765       0.40469924 
Hf       5.47092442       0.80500838      -3.74281560      -1.57340905      -0.64935973       0.98632456 
Hf       5.44429857      -0.16259361      -8.92439542       0.85465990       0.51117489      -1.79672051 
Hf       0.24277704       5.94473792      -3.69620046      -0.05960174       0.23374348      -0.42002197 
Hf       0.26126906       4.98114371      -8.92821869      -0.65005840       1.46707652      -0.61723786 
Hf       5.37933096       5.91870667      -3.72280684      -0.10586909       0.28698500       0.00783388 
Hf       5.35483875       5.01785374      -8.96471147       2.57764324       0.15449553       0.42154704 
Hf       2.36907942       1.23920946      -1.06207253       0.51600723      -0.65136652      -0.53692366 
Hf       2.28667077       0.37500285      -6.32152690       0.15288091      -1.19800321       0.77471553 
Hf       7.57276130       1.27350875      -1.19459664      -0.72369468      -0.98403766       1.78650073 
Hf       7.61802278       0.43333423      -6.28812086       0.29063037      -1.38243225      -0.62569758 
Hf       2.46381231       6.40717901      -1.00857846      -0.11309027      -0.60162406      -0.60491353 
Hf       2.43176812       5.52847296      -6.38202014      -0.66695647      -0.08565657       0.97806144 
Hf       7.56489751       6.29070146      -1.17572929       0.36666269       0.56403353       0.77485945 
Hf       7.49516138       5.50732392      -6.32652171       1.02678796       0.40227248      -1.45823632 
Hf       4.92642850       3.46507639      -1.51544275      -0.67880176      -0.33081637       0.53734595 
Hf       4.91742416       2.47680084      -6.82280204       1.05564727       1.53668769       1.01447409 
Hf      10.24800261       3.47529812      -1.49973587      -0.20516163       0.68643092      -0.61848608 
Hf      10.20457575       2.63027652      -6.75492531      -0.34801394       0.23912579      -0.49154058 
Hf       4.95264840       8.60059412      -1.54476049       0.49282789      -0.32971453      -0.26502043 
Hf       4.98345916       7.78456652      -6.81793912       0.52267871      -0.80029459       0.09355533 
Hf      10.15924757       8.58555964      -1.55544651       0.68916442       0.00462230       0.20387235 
Hf      10.12588090       7.70746079      -6.75591930       0.06969770      -0.71108107      -0.69769558 
O       1.30564489       2.31490682      -2.77372407       0.74197946       0.48489736       0.80023271 
O       1.37229634       1.37095649      -7.94533589      -0.21114235       0.88080148      -0.33289367 
O       6.59700382       2.31939358      -2.72868790      -0.51184011       0.49272577      -1.12337094 
O       6.53164948       1.45195470      -7.98227538       0.57037524       0.34154705      -0.02104930 
O       1.40745991       7.43704260      -2.68102564      -0.13114251       0.95710901      -0.31066209 
O       1.33987415       6.59627119      -7.89012508       0.98637481       0.38305465      -0.77418317 
O       6.51137137       7.48290197      -2.90458005       0.28680296      -0.39285013       1.33750442 
O       6.59202873       6.58970615      -7.99438486      -0.64930089       0.10879215      -0.41959941 
O       3.91319311       1.39542575      -5.11896546      -0.52857370       0.07745420      -0.42995893 
O       3.91735079       0.59254872     -10.41458941       0.06324196      -0.13188648       0.34527193 
O       9.08624502       1.56181725      -5.13212963      -0.07577983      -0.82875838      -0.24156092 
O       9.20212237       0.63477182     -10.31387105      -0.68189006      -0.67836350      -0.88175388 
O       4.01652189       6.47800667      -5.22618631      -0.88739575       0.75501765       0.70267902 
O       3.98981582       5.63449942     -10.35149486      -0.52947768       0.38027343      -0.19175039 
O       9.19056712       6.55522532      -5.23762386      -0.87576534       0.32119304       1.05028871 
O       9.16831900       7.50422181      -0.03271520       0.20165633      -0.55028786       0.30319673 
O       3.92164593       1.80166405      -2.54179649      -0.83576871       0.51178632       0.62058979 
O       3.89042714       0.97809056      -7.74360307      -0.55815805      -0.80569937      -0.17724101 
O       9.04435821       1.86750860      -2.56582897       0.03098750       0.48537250       0.83486910 
O       9.12763871       1.00760756      -7.75127878      -0.88595309       0.33473803       0.79649979 
O       3.91127402       6.99738089      -2.48699656      -0.31526172      -0.49670921      -0.21775481 
O       3.97459227       6.08551925      -7.75535690      -1.08328281       0.67334455      -0.24322272 
O       9.06487105       7.01673180      -2.65827770      -0.50224627      -0.34760977       1.20955567 
O       9.08365940       5.98717127      -7.80352119      -0.16971868       0.38847349      -0.15185059 
O       1.28386111       2.81448719      -0.13936534       0.39970764      -0.29229529       0.61390958 
O       1.13329545       1.91799784      -5.31017566       1.00411570       0.06080218      -0.56367407 
O       6.46081167       2.82250359      -0.22398808       0.32376856      -0.16347508       1.07277222 
O       6.38708910       1.92128814      -5.37512272       0.49093804       0.38202646       0.21400316 
O       1.36537163       7.92632891      -0.03310225      -0.95442430       0.01119185      -0.14995493 
O       1.23632375       7.06505692      -5.31573561       0.88182131       0.13608132      -0.10979068 
O       6.46649963       7.96502318      -0.25455539       0.37172355      -0.50374887       0.54405105 
O       6.42178375       7.17810186      -5.41797288       0.33070332      -0.56688985       0.12758787 
O       3.47749136       3.71095372      -6.04517765      -0.42930439       0.27102218      -0.03849680 
O       8.70862565       4.61147025      -0.90813396      -0.87017006       0.55506247       0.46753399 
O       8.72314744       3.85381477      -6.11755010      -0.31788461      -0.80409161       0.36560056 
O       3.39524491       9.67322921      -0.88069057      -0.49012393       0.94150654       0.75953634 
O       3.32721559       8.86182522      -6.01298002       1.44176133       0.09434945      -1.57929678 
O       8.68382454       9.86542026      -0.84383037       0.21356232      -0.32076399      -0.13781396 
O       8.58602484       8.89317720      -6.14512852       0.13992665       0.48358235       1.12102914 
O       0.84968424       0.04519666      -1.74361164      -0.00510339       0.21658544      -0.22603542 
O       0.79551766      -0.83750220      -7.03573700       0.26590514      -0.00347975       0.29804975 
O       6.02823086      -0.04589400      -1.85019583       1.28586507       1.83639556       0.30849921 
O       6.21670852      -0.89576322      -7.14484144      -1.14237283       0.26898162       0.79196293 
O       0.95761156       5.26164681      -1.67214224      -0.92233730      -1.44913653      -0.70018759 
O       0.99298564       4.29003299      -7.12926970      -0.65254193      -1.21766891       0.28489531 
O       6.02717926       5.15331129      -1.78226104       0.13053789       0.37875433      -0.16590233 
O       6.05050630       4.25797948      -6.99845331      -0.17468066      -0.17760754      -0.18167024 
O       1.64405212      -0.38451324      -4.40213683       0.64496486      -0.35276333      -0.06946280 
O       1.64616821      -1.37755904      -9.64635170       1.04529994       0.22059142      -0.62353178 
O       7.03170602      -0.28665675      -4.31751860       0.59395318      -0.64810104      -1.08857788 
O       6.95769833      -1.30736565      -9.68491814      -0.17024118       0.40605535      -0.64978961 
O       1.54429199       4.70864712      -4.57036944       1.94487245      -1.06829429       0.06880133 
O       1.81398529       3.83937892      -9.58479370       0.43864500       0.08809715      -0.74995645 
O       6.99430106       4.85088575      -4.37276617      -0.24526288      -0.59462713      -0.00855283 
O       7.06249049       3.94454109      -9.63471117      -0.21133084      -0.51876141      -0.44455814 
O       4.21040210       4.23525471      -3.32189293      -0.31257735      -0.16049267      -0.67555883 
O       4.32461617       3.34639387      -8.65655952      -0.46586161      -1.03299856      -0.14952032 
O       9.65343814       4.16072955      -3.46738610      -1.09142161      -0.41088927       0.33877265 
O       9.68373270       3.21523645      -8.85432008      -0.06918679       0.09227697       1.09829893 
O       4.41397468       9.23890068      -3.46162117      -0.31176504       0.80345697      -0.98546865 
O       4.37205493       8.43006283      -8.77699714      -0.53510015      -0.22071470       0.67298153 
O       9.50703182       9.32848734      -3.36379478      -0.07549006       0.39046546      -0.63487714 
O       9.54010620       8.33126659      -8.67608862      -0.10643228       0.72789550      -0.50304411 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0004079505602033062 -0.002744179320133043 -0.0032081260163648495 -0.002744179320133043 -0.006175338406236217 0.002053635796006742 -0.0032081260163648495 0.002053635796006742 -0.01059017442254766" pbc="T T T" energy=-961.79288859 free_energy=-961.79288859 config_type=crystal 
Hf       2.80489733       3.00693341      -4.14323126       0.14457833       0.26392080      -0.00228132 
Hf       2.79494000       2.05476591      -9.41461376      -0.40744905       1.60748303      -0.01864287 
Hf       8.04948622       3.04681115      -4.12207153      -0.55600655      -1.04051479       0.27466607 
Hf       8.03160213       2.13727722      -9.38450040      -0.15317486      -0.35946969      -0.80529383 
Hf       2.76451909       8.22894931      -4.09829873       0.88824159      -1.29264946       0.01595778 
Hf       2.89298740       7.28810800      -9.30799040      -1.20138977      -0.25823420      -1.26903617 
Hf       8.00964474       8.13743241      -4.21243095      -0.98842034       0.04286053       0.02383547 
Hf       8.03906662       7.26122655      -9.43884103      -0.98051966      -0.08569816       0.66040658 
Hf       0.20542444       0.71025245      -3.67784880      -0.95055854       1.32487298       0.51616796 
Hf       0.14805640      -0.12223535      -8.89016404       0.57038913      -0.43468283      -1.38347559 
Hf       5.46268793       0.80768343      -3.70486607       0.63496539       0.11109504       0.03626620 
Hf       5.37659083       0.00283369      -9.00909608       1.03005829      -1.21282773      -0.12902396 
Hf       0.15880527       5.93965335      -3.83965546       1.21406509      -0.47989173       1.81487462 
Hf       0.21688868       5.06662247      -9.02244338       0.57354821      -0.02132677       0.30336121 
Hf       5.38040895       5.93638730      -3.74343640       0.17559423      -0.36180152       0.38893762 
Hf       5.49080729       5.03228438      -9.01878529      -0.71584960      -0.39051543       0.52592724 
Hf       2.37108527       1.23372995      -1.07704899      -0.33273608      -1.27404603       0.09691128 
Hf       2.32912656       0.33525951      -6.33557395       0.05947906       0.41233666      -0.35404416 
Hf       7.64799348       1.16049316      -1.06435085      -0.40896665       1.65521314      -0.04619836 
Hf       7.56424635       0.31963566      -6.37741238      -0.19507728       0.01871135       0.84783150 
Hf       2.39861155       6.37351608      -1.08119158       0.07805163      -0.12032848       0.28652163 
Hf       2.35852101       5.47806319      -6.33101628       0.99447684      -0.18169527       0.21064703 
Hf       7.55969457       6.35096644      -1.13318712       0.04744204      -0.60281295      -0.34909247 
Hf       7.53672651       5.41123744      -6.32101657      -0.65829634       1.33225577      -1.08311836 
Hf       4.94530912       3.42694299      -1.57425043       1.12496344       0.71006515       0.94670454 
Hf       4.92452624       2.58584719      -6.75370063       1.02250002       0.35745354      -0.08083794 
Hf      10.28582183       3.51243629      -1.52478795      -1.40590946      -0.34273811      -0.45564997 
Hf      10.14987926       2.62815697      -6.76780008       0.90689837      -0.59550338      -0.05790606 
Hf       4.98306558       8.63252354      -1.56377053       0.08920315       0.33315771       0.70153578 
Hf       4.92432841       7.83267402      -6.76017960       0.41926711      -2.46728768       0.92262753 
Hf      10.19607950       8.50542136      -1.56327102      -0.36891150       0.41155995       0.50864288 
Hf      10.18649643       7.62414045      -6.76492019       0.20419076       1.16705464      -1.28902989 
O       1.33381474       2.33960378      -2.78563520      -0.32739192      -0.33146678       0.41968409 
O       1.17816760       1.42560464      -8.06303485       1.38638374       1.24496542       0.76359263 
O       6.60071575       2.42552327      -2.69596094      -0.70480529      -0.58169700      -0.51897671 
O       6.50783410       1.43549792      -7.94466879       0.25994166       0.10525593      -0.54941814 
O       1.24638425       7.52001975      -2.77721205       0.09110142      -0.17682242      -0.11549092 
O       1.30171538       6.60366578      -8.03288337       0.00151626       0.29028839       0.65130124 
O       6.43858216       7.47863398      -2.81486630       0.58049699       0.37154160       0.06512547 
O       6.54049620       6.58385198      -8.05309437      -0.07649827       0.05708165      -0.12402572 
O       4.05931297       1.50738315      -5.10791643      -1.15942680      -0.32613733       0.07664519 
O       3.94244875       2.40086173      -0.01461114       0.14410667       0.05613214       1.81557994 
O       9.16215746       1.46583571      -5.08045205       0.36040553      -0.17963079      -0.30403714 
O       9.05245714       0.48701229     -10.28012375       0.69619715       0.42028582      -0.18696108 
O       3.92049905       6.55787911      -5.02995463      -0.25533955       0.81108575      -0.57772002 
O       4.00406414       5.71332115     -10.31302271      -0.52198754       0.15645901      -0.69743366 
O       9.20220435       6.52800016      -5.25945920      -0.71922921       0.18228450       0.81819918 
O       9.11377390       5.57374612     -10.45460325       0.62469418       0.67501382       0.49359701 
O       3.82012859       1.87177466      -2.42963733       0.45576491      -0.15364270      -1.33495203 
O       3.78238117       1.02629869      -7.74510454       0.01197726      -0.98885479      -0.00376208 
O       9.08692351       1.92632400      -2.51251603       0.39143117      -0.20766522       0.75246278 
O       9.07886864       0.99967411      -7.65682088      -0.52603540       0.36429502      -0.46930671 
O       3.82712656       7.08800576      -2.51698109      -0.33934717      -0.15855867       0.83315516 
O       3.81250305       6.10147005      -7.67076859       0.33703177       0.65975105      -0.52435927 
O       8.97300504       6.95724527      -2.59638777       0.53460247       0.21568225      -0.19777738 
O       9.03766832       6.20197276      -7.74713137       0.20547886      -1.01558727      -0.70784021 
O       1.25863867       2.74955742      -0.13240860      -0.25760812       0.76892150      -0.11669049 
O       1.38236901       1.94960758      -5.40904108      -0.84026579      -0.11871062      -0.19476855 
O       6.53525689       2.83307781      -0.11184740      -0.94839124      -0.02324076       0.37154874 
O       6.51696145       1.85431198      -5.34781553      -0.09260249       0.59393076      -0.26250361 
O       1.28608921       8.04988946      -0.09611847      -0.09165059      -0.91117708      -0.39365841 
O       1.32952791       7.02024335      -5.34682931      -0.81697507       0.81496939      -0.47214142 
O       6.52601389       7.92636350      -0.23778711      -0.34604610       0.32534854       0.56444098 
O       6.48613396       7.05229826      -5.38596079      -0.13461181      -0.19912252      -0.18963682 
O       3.58501097       3.85389245      -5.98366396      -0.60907798      -0.17133309       0.29068062 
O       8.79170614       4.67557891      -0.75722564      -0.01536350      -0.23343117       0.08551507 
O       8.66841282       3.77119511      -6.01987355       0.31204161       0.00561206      -0.28168995 
O       3.61788077       9.90027253      -0.69416417      -0.34120874      -0.38187787       0.13413926 
O       3.43914681       8.94898218      -5.96823209       0.37150963      -0.15533979       0.00187248 
O       8.72683495       9.75705263      -0.73407269       0.32636285       0.20698631      -0.48777272 
O       8.68008029       8.85544359      -6.09730203       0.30627019       0.23177027       0.48175382 
O       0.97803556      -0.10425006      -1.87018884      -0.16370135       0.72219177       0.29379753 
O       1.00062832      -0.90774571      -7.11396174      -0.99461461      -0.69122246       0.71317902 
O       6.14987565       0.07129786      -1.85232934      -0.40213429      -0.82754696      -0.38050561 
O       6.04339705      -0.89311361      -7.05269670       0.77405416       1.45487813      -0.56170199 
O       0.99640674       5.14811381      -1.92744318       0.16293414       0.43186318       0.75003358 
O       0.97137673       4.26376221      -7.11237037      -0.75892291      -0.24360801      -0.00472205 
O       6.09572133       5.13337429      -1.78714843      -0.43563048       0.20357627      -0.63624511 
O       6.05136901       4.32508595      -7.11369009       0.11796986      -0.89402791       0.14968965 
O       1.66305960      -0.39860217      -4.38783766       0.24993332      -0.11579622      -1.11794207 
O       1.72843534      -1.23149178      -9.63043145       0.60261127      -0.72253964      -0.35040931 
O       6.89388665      -0.45507300      -4.51622663      -0.22756741      -0.14274882       0.52389959 
O       6.77668527      -1.30988971      -9.76238253       0.51843729      -0.55903356       0.55742389 
O       1.66899059       4.72944158      -4.40225370       0.37502382      -0.62280352      -0.81314466 
O       1.78958649       3.90887948      -9.68289080      -0.05093638      -0.77479176      -0.48626946 
O       6.81840407       4.68409576      -4.50480063       0.12572104       0.07498080       0.29110972 
O       6.90174213       3.81019103      -9.76724378       0.07888402      -0.09172968       0.54168548 
O       4.25889204       4.19026259      -3.32363351      -0.06344282       0.62984532      -0.49299160 
O       4.34047820       3.20875768      -8.65706607      -0.13277523       0.63438787      -0.65360086 
O       9.46531914       4.26289762      -3.42881797       0.37767693       0.16037149       0.16375385 
O       9.49345388       3.39114324      -8.66227037      -0.21731833      -0.54482347       0.49354953 
O       4.23245955       9.45626058      -3.35980172       0.18466236      -0.10865487      -0.21988804 
O       4.35348602       8.40428507      -8.60192960       0.00556270       1.55342971      -0.46475293 
O       9.35643093       9.36513108      -3.30042942       0.61948679       0.37712058      -0.68861158 
O       9.43985897       8.48984068      -8.67994674       0.11758500      -0.41937313       0.74145495 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.001309567692326172 0.002672908132850967 -0.0006721426002723008 0.002672908132850967 -0.0037058769881658233 -0.0006236469044849016 -0.0006721426002723008 -0.0006236469044849016 -0.004697828006154365" pbc="T T T" energy=-961.78177115 free_energy=-961.78177115 config_type=crystal 
Hf       2.82450995       3.05738946      -4.10771114      -0.82261660       0.02218274      -0.43838129 
Hf       2.79775868       2.08990014      -9.34565369       0.26226554       1.35577041      -0.76142203 
Hf       7.98409511       3.03744783      -4.15236509       0.52276591      -1.33941964      -0.07724215 
Hf       8.06398536       2.08106538      -9.45314472       0.23145065       1.21818690       0.60862706 
Hf       2.72407351       8.14796825      -4.16396225       0.67721153      -0.22923537       0.09084872 
Hf       2.80615851       7.26822287      -9.43406242       0.01082818       0.11720532       0.45154578 
Hf       8.03579067       8.17370890      -4.11996459      -0.10123972       0.35994300      -0.28733972 
Hf       7.99394282       7.21315543      -9.44882971       1.02067585      -0.03180774       0.13402425 
Hf       0.18098730       0.79996534      -3.64711842       0.04157298       0.02326426      -2.02051802 
Hf       0.13808099      -0.07414523      -8.94741166       1.27726084      -1.11077012       0.19190439 
Hf       5.40369423       0.74656575      -3.74192431       0.03720873       0.59070020       0.48014895 
Hf       5.45328918      -0.12605882      -9.04647218      -0.06886155       0.18523331       1.04081459 
Hf       0.19640359       5.87308886      -3.72028324       0.57250514       0.37073525       0.56751271 
Hf       0.18681304       5.05928539      -8.96763452       0.38660513      -0.94406205      -0.23457283 
Hf       5.50479782       5.97851437      -3.74979471      -2.80119394      -0.84167382       0.19295995 
Hf       5.45494509       5.07547461      -8.94727063      -0.46566822      -1.62565805      -0.37207671 
Hf       2.37045998       1.24866009      -1.02722477      -0.29188638      -0.23241181      -1.13333360 
Hf       2.41940357       0.29267372      -6.32752651      -1.04419873      -0.02222898      -0.10635942 
Hf       7.58674176       1.22865714      -1.08812606      -0.08838472       0.12624673      -0.58847843 
Hf       7.57969256       0.33541322      -6.39067577      -0.44692301       1.45619528       0.26324708 
Hf       2.45427724       6.37915965      -1.04687231      -0.87950632      -0.87162873      -0.41465665 
Hf       2.37662600       5.48950389      -6.37823783      -0.00252656      -0.08423630       0.34825597 
Hf       7.52328833       6.30874137      -1.13178476       1.26029293      -0.02642102       1.05137724 
Hf       7.57929358       5.49430127      -6.29860465       0.89053379      -1.15154394      -0.40476560 
Hf       4.90801793       3.44761165      -1.56109068      -0.06466756       0.52353476      -0.24918998 
Hf       4.97580785       2.61210113      -6.70007572      -0.22103528      -0.68642324      -1.45096362 
Hf      10.20453014       3.42703626      -1.59712365      -0.11277138       1.29079800       1.16224734 
Hf      10.24185945       2.55488843      -6.75694363      -1.12501352       0.65322628      -0.43035578 
Hf       4.95116748       8.64738755      -1.57047715      -0.41628719      -0.41946405       0.71248003 
Hf       5.05499063       7.71356321      -6.79460997      -1.98280935       0.02651366       0.24074362 
Hf      10.15295240       8.64137693      -1.54014831       0.03774784      -1.29107147       0.39455718 
Hf      10.13900478       7.73828066      -6.77086762       0.96915011      -0.28527884      -0.54102737 
O       1.23003066       2.42070345      -2.72442435       1.30389074      -0.47404930      -0.76895498 
O       1.27693037       1.44558974      -8.01912014       0.58159522      -0.04212508       0.15999421 
O       6.45734817       2.34277233      -2.81207105       0.26898102      -0.05128839       0.43697688 
O       6.63559077       1.40357349      -8.02883802      -1.07484614      -0.18711437      -0.17480272 
O       1.23454898       7.64697589      -2.79201861       0.33445145      -0.88952873       0.13851620 
O       1.31973402       6.62834550      -7.99563265       0.69089843      -0.00433049       0.01990950 
O       6.52782492       7.44965055      -2.79242015       0.46324145       0.94023676       0.51812404 
O       6.62302091       6.59982623      -7.93799346      -0.53120008      -0.01864955      -0.23362639 
O       3.89178941       1.42721776      -5.00875132       0.24671155       0.03414110      -1.10891785 
O       3.95059537       2.41131605      -0.00891132       0.32855209      -0.35854415       1.45305439 
O       9.07926805       1.45590554      -5.07355064       0.05781826      -0.43598162      -0.67120234 
O       9.13574574       0.50445457     -10.35166591       0.05936664      -0.05415079      -1.08702082 
O       3.94353568       6.55726559      -5.19093217       0.18762170       0.06741741       0.50041388 
O       3.93481365       5.64918352     -10.42639585       0.09791140       0.79464645       0.42949786 
O       9.09994858       6.56157352      -5.10937748      -0.38770526       1.06575155      -0.10108541 
O       9.05349294       5.63080393     -10.41912146       0.23627150       0.61629684       0.45326802 
O       3.82152047       1.91690446      -2.56695600      -0.28399111       0.12320218       0.95627569 
O       3.88724106       0.96181870      -7.68046819       0.32815631       0.25137065      -0.69027661 
O       9.05268105       1.93228938      -2.54664787      -0.71307983      -0.44037113       1.00015082 
O       9.07046954       1.00900191      -7.82221937       0.15003615      -0.26689628       0.92896458 
O       3.86039213       7.08032063      -2.51085610      -0.18771788      -0.25735473      -0.22907531 
O       3.92336116       6.18048250      -7.77851993      -0.24221295      -0.61015572      -0.36670420 
O       9.04177041       7.03492448      -2.49246275      -0.44047134       0.23425728      -0.38786683 
O       9.13038767       6.04855326      -7.68937689      -0.64166485       0.42049845      -0.23179952 
O       1.33020817       2.76256799      -0.11926722      -1.06028228       0.67491070       0.34758216 
O       1.19828269       1.76065280      -5.43997402       0.67195585       0.66422108       1.14920468 
O       6.50627732       2.82305302      -0.16509408      -0.42751849      -0.27810875       0.07044705 
O       6.49129337       2.01455574      -5.41596233      -0.64047964      -0.94533484       0.08753783 
O       1.17974921       7.84882211      -0.12757948       0.67194607       1.05117746       0.09145327 
O       1.26121422       6.92868514      -5.29780250      -0.20138369       0.91574133      -0.88472911 
O       6.44262990       7.96710294      -0.15150244      -0.02783809      -0.39107434       0.36392224 
O       6.42416562       7.07761051      -5.33150528       0.97820556      -0.12430745      -0.30879611 
O       3.46319879       3.72837739      -6.02702550       0.22041836       0.25001857       0.14803734 
O       8.76612367       4.66862576      -0.83179670      -0.91668682       0.00058485       0.22941684 
O       8.68992239       3.76240392      -5.99063373       0.15427902       0.45720848      -0.62546020 
O       3.55564145       9.91029533      -0.77375566      -0.29650161      -0.81327416       0.60360240 
O       3.45442242       8.89699361      -6.05774737       0.90899707      -0.66047432       0.41929506 
O       8.70683364       9.84998640      -0.74766223       0.05113811      -0.13615523      -0.02249106 
O       8.70944389       9.03715978      -6.14992403       0.57656375      -1.83596477       1.34473832 
O       0.86385598       0.04436187      -1.89643600       0.95946450       0.22933092       1.31393984 
O       0.96674983      -0.93550936      -7.09447160      -0.55162315       0.15799305      -0.31844746 
O       6.09395166       0.02366022      -1.77386729       0.27462721       0.32895116      -0.66891128 
O       6.10620971      -0.91913983      -7.10201102       0.30719786       0.86881478      -0.41986730 
O       0.88572267       5.23105014      -1.83857431       0.51802749      -0.36097462      -0.20855241 
O       0.92508412       4.27337597      -7.09591207      -0.05400008      -0.22040134      -0.19623803 
O       6.03497146       5.12983559      -1.84708272       0.31114363       0.33360786       0.16612199 
O       6.11604641       4.23343457      -7.07908614       0.07245436       0.96284930       0.06845448 
O       1.54990856      -0.53904451      -4.47564817       0.33585479       0.62624368      -0.12574079 
O       1.64747759      -1.33279184      -9.70775209       0.41048860      -0.29286262      -0.31328816 
O       6.83564073      -0.44896690      -4.50568951       0.21771624      -0.17038407      -0.06933505 
O       6.95088926      -1.33482234      -9.70530093      -0.74456410       0.54412994       0.08933093 
O       1.55622940       4.60983084      -4.57612628       0.21964058      -0.07291417       0.49318021 
O       1.80989515       3.86517178      -9.69808493      -0.04916883      -0.51471181       0.23434887 
O       6.92758622       4.71595016      -4.39183807      -0.81518364       1.09561263      -0.58078624 
O       7.02305319       3.82321769      -9.63802652      -1.04357456       0.88582264      -0.58109697 
O       4.08230877       4.39835284      -3.34543020       0.90922921      -0.43216359       0.30253964 
O       4.29166002       3.33288479      -8.70101364       0.64352201       0.02600565       0.48098308 
O       9.43523373       4.22845782      -3.38738781       0.38217010       0.36685705      -0.06329435 
O       9.61400842       3.29064467      -8.69919641      -0.56766947      -0.35939205      -0.09925669 
O       4.21775344       9.43549405      -3.32445066      -0.24334319      -0.40313364      -0.88951821 
O       4.30114761       8.46163154      -8.68593816       0.21535962       0.35727961      -0.28991521 
O       9.34201866       9.47669959      -3.28269792      -0.40469817      -0.56708489      -0.95015454 
O       9.49985004       8.39356070      -8.67777448      -0.05086409       0.17378478       0.26847268 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00401874149604368 0.0023855517115781897 -0.0020108069286339696 0.0023855517115781897 -0.00846942092640477 0.0031025255115244284 -0.0020108069286339696 0.0031025255115244284 -0.0034815456720462966" pbc="T T T" energy=-961.03567854 free_energy=-961.03567854 config_type=crystal 
Hf       2.78345935       2.94196033      -4.27679251       0.35281244       0.86674979       2.40507042 
Hf       2.78834538       2.22061110      -9.38596439       0.30823769      -1.63857770      -0.52857709 
Hf       8.06700166       3.03996880      -4.09852502      -0.24555818       0.57591583      -0.28034331 
Hf       7.97928658       2.08024210      -9.47285599       0.86865540       0.12876786       0.27293028 
Hf       2.77270706       8.19541127      -4.08526183       0.54529308      -0.18151421      -0.81955721 
Hf       2.91614206       7.25163513      -9.38259843      -1.65337194       0.66740679      -0.46343211 
Hf       7.96981645       8.15560646      -4.18815413       0.14613404      -0.66187481       0.54615745 
Hf       7.98954970       7.24970945      -9.44808375       0.75997304       0.69627509      -0.40347073 
Hf       0.19908543       0.79544213      -3.69111356      -0.21320242      -0.36100523       0.72564662 
Hf       0.21475867      -0.08834785      -8.90891357      -0.89382668       0.48773624      -0.98599281 
Hf       5.43102902       0.79993884      -3.75043294      -0.68390986       0.49631740       1.18701013 
Hf       5.37474614      -0.04994286      -8.98340798       0.56075111       0.15417262      -0.75676663 
Hf       0.16524756       5.99878612      -3.74600295      -0.03653214      -1.02149482       0.09435690 
Hf       0.25594497       5.02859030      -8.93015247      -1.34519830       0.77294046      -1.01496083 
Hf       5.37435411       5.93292153      -3.72474189      -0.21535549      -0.67375405       0.24349591 
Hf       5.41223432       5.05634964      -8.99443328       1.06230846      -0.82519524       0.16987847 
Hf       2.32249131       1.18073664      -1.04363792       0.34762510       1.66625919      -0.92691370 
Hf       2.33282727       0.28784283      -6.34952786       0.06921125       1.36046495       0.68784877 
Hf       7.61301528       1.19802609      -1.16741902      -0.26722333       0.39018666       0.62001462 
Hf       7.61511703       0.32989012      -6.24173558       0.35116800       0.46798892      -1.40707879 
Hf       2.41637656       6.34786163      -0.98392865      -0.38605668      -0.43756767      -1.42729787 
Hf       2.48110935       5.53570652      -6.34007534      -1.68030295      -0.41684919       0.62234718 
Hf       7.53591077       6.27835876      -1.10403844       0.42312839       0.85950832      -0.70705201 
Hf       7.52259228       5.42408597      -6.34367778       1.47756300       0.27577161       0.71154661 
Hf       4.96274933       3.47835099      -1.53693188      -1.44045957      -1.25701350      -0.82827407 
Hf       5.01401245       2.55108631      -6.80397491       0.07327702      -0.69319381      -0.59656012 
Hf      10.20546630       3.49038217      -1.49934262       0.55667238      -0.29522829      -0.14139434 
Hf      10.24614483       2.61492054      -6.79664582      -1.44944118      -0.13092223      -0.02346801 
Hf       4.97496655       8.61564183      -1.53336945       0.64625503       0.06529917      -0.63998967 
Hf       5.01540620       7.77117732      -6.73876166      -0.76385539       0.48608871      -0.47281682 
Hf      10.13299784       8.51308368      -1.57120390       0.27209011       0.84476918       0.45809833 
Hf      10.16718825       7.65685064      -6.84030799      -0.26141126       0.49205885       0.79133519 
O       1.33866067       2.39334074      -2.67447023      -0.18979207      -0.44544526      -0.35025964 
O       1.34236647       1.46861871      -7.87192494       0.37031477       0.85946253      -0.68139848 
O       6.63211086       2.29812277      -2.77087190      -1.17673677       0.31537229      -0.15259982 
O       6.45608326       1.57203030      -8.13279654       0.31802949      -0.54498386       0.63550770 
O       1.32646444       7.54515139      -2.80407359      -0.29163093      -0.55304174       0.69429001 
O       1.45104428       6.69640833      -7.96721754      -0.29526633      -0.39016398      -0.00803167 
O       6.46426364       7.42783549      -2.70992503       0.72493164       0.50356706      -0.59913445 
O       6.64993239       6.59297852      -7.95760583      -1.26706751       0.54583831      -0.31145586 
O       3.93738463       1.34179044      -5.10571236      -0.80188111       0.57860233      -0.82241498 
O       3.91097000       2.50982049      -0.02102942       0.36421722      -0.39914566       1.62452298 
O       9.03360083       1.43757229      -5.10435022       1.06828150      -0.29100892       0.05657075 
O       9.16455356       0.60567986     -10.44808460       0.10124085      -0.73697789       0.66597673 
O       3.87248258       6.61117816      -5.13933639      -0.08352004       0.25047349      -0.18266138 
O       3.97878974       5.71517216     -10.30421776      -0.82472606       0.10873620      -1.00240830 
O       8.99886150       6.54658798      -5.15414284       0.85101454       0.58489057       0.24343767 
O       9.08054990       5.73569022     -10.49436718       0.31376134      -0.49905051       0.98244970 
O       3.83399600       1.85603988      -2.51237805       0.43199749       0.14708080      -0.35563119 
O       3.94213808       1.00850481      -7.78383952      -0.98699734      -0.21812697       0.18855832 
O       9.06454780       1.92199489      -2.54821329       0.68743965      -0.53262514       0.25935911 
O       9.05194167       0.98962925      -7.76918113      -0.51100075       0.51694562       0.14950051 
O       3.90942351       7.01553549      -2.50169423      -1.09789220       0.01084320       0.76847292 
O       3.92675484       6.17740205      -7.75939500       0.50348233      -0.07313198       0.19503399 
O       8.99909819       7.01553535      -2.54506679       0.04550271      -0.20184095      -0.05619041 
O       9.10311990       6.06410625      -7.70371743       0.00929269       0.10883014      -0.78527717 
O       1.32349552       2.90805711      -0.05958389      -0.75247126      -0.36407668       0.08315850 
O       1.24792628       1.91920237      -5.21095972      -0.83803736      -0.42071530      -1.64861002 
O       6.44952958       2.75772002      -0.21520308      -0.00692553       0.52623388       0.45639600 
O       6.38792968       1.88678693      -5.37017663       0.51554619       0.50498472      -0.42161016 
O       1.29775335       7.84187234      -0.12056698      -0.47663153       1.30460759       0.22708830 
O       1.18750193       7.04499031      -5.38169850       0.36715460       0.21776477      -0.24956677 
O       6.41777569       7.91308086      -0.14912647       0.31072872       0.46739455       0.54686759 
O       6.34371575       7.01748153      -5.34998799       0.42015224       0.51886117      -0.36215446 
O       3.51056908       3.69380913      -6.15303693      -1.12866703       0.98005507       0.41582387 
O       8.68907049       4.63355570      -0.82920232      -0.96378086       0.55951521       0.11740802 
O       8.77535129       3.80351792      -5.90625795      -0.13650993      -0.10731134      -1.39203709 
O       3.55235437       9.86274674      -0.79847152      -0.25994916      -0.49621298       0.63596136 
O       3.37895812       8.97980249      -6.12405531       1.48584202      -2.22829182       0.41890941 
O       8.76270734       9.87816933      -0.77997852       0.19414672      -0.70518919      -0.35375051 
O       8.73834460       8.91549740      -6.04963326      -0.73016349      -0.03328543       0.32975042 
O       0.91980970      -0.02706038      -1.85573111      -0.33682279      -0.02337168       0.00209959 
O       0.72589032      -0.69033844      -7.02157444       0.07972946      -1.78294905       0.15426392 
O       6.17862030      -0.04602821      -1.89664076      -0.21216686      -0.00189480       0.24865026 
O       6.09565400      -0.80850847      -7.00292036      -0.57294983      -0.31227387      -0.91316859 
O       0.79129318       5.26040872      -1.64624612       1.10857066       0.84614341      -0.74475023 
O       0.83915243       4.35302605      -7.11363506       1.08429244      -0.17755078       0.89278512 
O       6.02947946       5.10100131      -1.85174110       0.39679440       0.73155281      -0.03401042 
O       6.11042339       4.26410688      -7.14972893      -0.37277798      -0.49329327       0.24909695 
O       1.58363141      -0.52777247      -4.41146419       0.37446675       1.12780193      -0.81023726 
O       1.66483811      -1.23055887      -9.68655203       0.96150501      -1.30583769       0.13046895 
O       6.86028329      -0.40370904      -4.46616552       0.84070178      -1.03849118      -0.07786625 
O       6.96755332      -1.22178534      -9.73031585      -0.52529562      -0.80241868       0.70832516 
O       1.59873931       4.75143664      -4.48950989       1.02221442      -0.69505645      -0.36265665 
O       1.76496897       3.91332827      -9.58600253       0.56916639      -0.48512049      -0.33725380 
O       6.94856485       4.81024096      -4.41852279      -0.51920837      -0.75065684      -0.01077876 
O       6.95324038       3.84360626      -9.76933644      -0.69400353      -0.02409781       0.81904013 
O       4.18678724       4.21125538      -3.53144250       0.96819425       0.42132625       0.86344175 
O       4.26534359       3.37846205      -8.77778804       1.15942081       0.45086666       0.70961217 
O       9.47021412       4.26616077      -3.35709131       0.47758102       0.22150199       0.03083671 
O       9.54829012       3.30969234      -8.76260041      -0.09686711      -0.25386099       0.70408673 
O       4.34258597       9.36578617      -3.43035862      -0.79530935      -0.65470535      -0.22775358 
O       4.22970706       8.53452806      -8.67999011       1.19864881       0.32965135       0.49789681 
O       9.46719158       9.26976099      -3.43654945       0.09660100       0.98743259       0.08133830 
O       9.53566633       8.38399438      -8.71593844       0.10655058       0.29902404       0.27312236 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002987618841679206 -0.0015240586451578312 -0.003165507038460963 -0.0015240586451578312 -0.0032766115182598977 0.0012570964797840596 -0.003165507038460963 0.0012570964797840596 -0.001350006205258441" pbc="T T T" energy=-961.82797553 free_energy=-961.82797553 config_type=crystal 
Hf       2.76502146       2.97444248      -4.13910421      -0.22096201       0.57844826       0.23390108 
Hf       2.82637054       2.11084492      -9.47607967      -0.54290498      -0.87253135       0.36753982 
Hf       8.00046148       3.03470954      -4.18348588       0.01748128       0.36570852      -0.26671459 
Hf       8.02864350       2.17593529      -9.33271109      -0.51249932      -0.82382866      -0.50150513 
Hf       2.83622355       8.17549178      -4.07081303       0.11384187      -0.76455190      -0.88015703 
Hf       2.83077260       7.22705813      -9.36924462      -0.18440184       1.49353425      -1.12405038 
Hf       7.99880787       8.15826039      -4.22607951      -0.39899912      -0.97030317       1.19592563 
Hf       8.06266600       7.27497203      -9.42727495      -0.39365671       0.05855253      -0.08067751 
Hf       0.15458213       0.79500435      -3.68468646       0.76182575      -0.16958980      -0.27020787 
Hf       0.32661092      -0.10272459      -8.92700356      -1.65253450      -0.23537330      -0.11232528 
Hf       5.43514918       0.85132126      -3.72761254      -0.67690964      -0.45825671      -0.61421523 
Hf       5.46065549      -0.11348501      -9.01674796       0.02624306       0.27901076       0.76859212 
Hf       0.23003459       5.96641292      -3.71617593       0.00200062      -0.51164197       0.03914449 
Hf       0.24666654       5.09611865      -8.97337141      -0.92671614      -0.49529487       0.51909946 
Hf       5.41300674       5.87294516      -3.69171335       0.05238385       0.72496353      -0.01739669 
Hf       5.31002884       5.01294493      -9.06007579       1.05992275       0.24735051       0.89041585 
Hf       2.31461661       1.20696058      -1.11671716       1.42979915       0.25886529       0.38192955 
Hf       2.37382498       0.30287602      -6.31405237       0.70374785       0.52641289      -0.12031141 
Hf       7.52939855       1.26241731      -1.07926966       0.83779243      -1.02135510      -0.23007319 
Hf       7.66600402       0.28047423      -6.29122568      -1.60802695       1.70935438      -1.55756152 
Hf       2.30269126       6.29311574      -0.99500351       1.05940882       0.73427345      -1.49376385 
Hf       2.47178873       5.51091315      -6.30645993      -1.32095835      -0.77922271       1.10771402 
Hf       7.59849360       6.41243174      -1.03478088      -0.50500860       0.32311553      -1.20076953 
Hf       7.49973000       5.47772611      -6.43342218      -0.01419214      -0.31727946       0.51973855 
Hf       4.99693756       3.50305538      -1.57624008      -0.38243434      -0.15338647       0.59799067 
Hf       4.91048656       2.57174803      -6.83719698       0.73574455      -0.69160083       0.53529983 
Hf      10.13920344       3.47880634      -1.49949561       0.35210972      -0.43715142      -0.36438404 
Hf      10.13955526       2.65299168      -6.78424589       0.66302349      -0.40987081       0.46802842 
Hf       4.97144154       8.53896979      -1.57947993      -0.31681434       1.32086146       0.36290249 
Hf       4.99859845       7.67581077      -6.81978890       0.38519015       1.39052779       0.21531944 
Hf      10.19168565       8.56886016      -1.54151349      -1.33872235       0.62433909      -0.39693736 
Hf      10.20869374       7.65382432      -6.73715045      -0.11348307      -0.08190218      -0.66577741 
O       1.28849238       2.35146840      -2.69261041      -0.30927814       0.08443355      -0.26452929 
O       1.30696217       1.45680705      -7.95247850       0.41393694       0.33889985       0.10224053 
O       6.47771668       2.39622569      -2.75591802       0.32387782       0.38574758      -0.24827013 
O       6.48263929       1.51189330      -7.97913203       0.56023538      -0.05734780      -1.13605524 
O       1.28453679       7.57404083      -2.72124603       0.85303332      -0.21878375      -0.00332283 
O       1.30706067       6.59441832      -7.98849697       0.64318972       0.37585199       0.26543370 
O       6.56988587       7.46637856      -2.67996287      -0.18862108       0.32915236      -1.27005546 
O       6.52185486       6.55665300      -8.03691790      -0.09131438       0.33046587      -0.10462806 
O       3.94850037       1.48992091      -5.21439152      -0.10606464      -0.59175174       0.58909985 
O       4.02775546       2.51677640      -0.01900480      -0.05050654      -0.69201081       0.82213116 
O       9.09887505       1.45657880      -5.14734382       0.57507632       0.00426188       0.76272659 
O       9.25159836       0.51581089     -10.37023567      -0.92225482       0.56706598       0.37385156 
O       4.01328313       6.57342142      -5.13447556      -0.89185293       0.18499611       0.02038776 
O       3.86906761       5.70648558     -10.38956694      -0.34982755      -0.41864293       0.08646041 
O       9.20448087       6.43452727      -5.15778623      -1.09663419       1.30665157      -0.38967528 
O       9.04739810       5.70535551     -10.45473619       1.13487376      -0.32755829       0.87168846 
O       3.79365381       1.88855949      -2.54589634       0.33688372      -0.18231832      -0.20151354 
O       3.87420581       0.99706925      -7.87141661      -0.44462255      -0.75868578       0.43808058 
O       8.99891491       1.89234594      -2.48918783       0.25761210       0.06199132      -0.39892844 
O       9.04508314       1.09155754      -7.68715938      -0.00841786      -0.45886927      -0.71678610 
O       3.88056364       6.92930613      -2.47761009      -0.66695291       0.64321604       0.14697076 
O       3.84783088       6.17718177      -7.71933338      -0.10879247      -0.44054846      -0.79516366 
O       9.06095079       7.00292431      -2.50814369       0.00049736      -0.18379223      -0.09065052 
O       9.06271734       6.17185920      -7.78666764      -0.08266057      -0.76187194       0.14047375 
O       1.27339559       2.77484432      -0.06682331       0.33279031       0.51887218      -0.59279470 
O       1.24943225       1.87789267      -5.30245006      -0.44166116       0.04638898      -0.11541146 
O       6.59360494       2.86414595      -0.12571825      -0.71171067      -0.26119899       0.28927108 
O       6.47701981       1.92793855      -5.48364595      -0.12584365       0.15928407       1.22312374 
O       1.15985128       8.02662190      -0.09637972       0.90697938      -0.88659315       0.71997336 
O       1.31165827       7.01471900      -5.30432599       0.08200383       0.71386652      -0.58016535 
O       6.38714947       8.05474801      -0.17807438       0.26995785      -0.70177576       0.62040934 
O       6.40524458       7.01753093      -5.38503779       1.12546073       0.44494786      -0.05142645 
O       3.44543169       3.76897911      -5.94563840       0.33332331       0.38288108      -0.74960252 
O       8.66747686       4.67171946      -0.76137894       0.07666957      -0.01050007      -0.06843685 
O       8.61201066       3.80029532      -6.05030330       0.43274890      -0.32402514      -0.52237589 
O       3.47990752       9.80546794      -0.78318382      -0.08583562      -0.15661282      -0.30468453 
O       3.52460449       8.91502901      -6.14616776      -0.14899021      -0.44210689       0.67943429 
O       8.65971770       9.80935501      -0.83212705       0.55566760      -0.03724271      -0.22510690 
O       8.65625015       8.82814123      -6.08600140       0.39701362      -0.40182619       0.34263071 
O       0.89918299       0.06495855      -1.83731319      -1.26297269      -1.12990771      -0.24307217 
O       0.93213560      -0.89797062      -7.02886363      -0.49581315      -0.32080473       0.10871279 
O       6.06174403       0.07954833      -1.92014810       0.22892502      -0.26824691       0.82767144 
O       6.11468030      -0.80670694      -7.05811322      -0.58463875      -0.93860545      -0.80830775 
O       0.90616339       5.16007586      -1.83954257      -0.03232990      -0.00927461       0.71909959 
O       0.92496484       4.29764205      -7.05548618      -0.00133614       0.29528663      -0.37020385 
O       6.04590340       5.21599214      -1.76968732       0.24474601      -0.27151455       0.07365619 
O       5.94475959       4.30195974      -7.11029945       0.41201713       0.35667195      -0.19624657 
O       1.83361661      -0.41149418      -4.35699146      -1.21674769       0.83666776      -0.43266108 
O       1.72575797      -1.29399085      -9.67493524       0.53664117      -0.56967385      -0.06280490 
O       6.96652177      -0.31838376      -4.46714816       0.06528024      -1.23786887       0.81139968 
O       6.97585860      -1.35808884      -9.73199216      -1.24519134       1.43753392       0.31215123 
O       1.68483569       4.73963749      -4.36952863       0.93162141      -0.43381006      -0.61085280 
O       1.68132844       3.81550046      -9.69795052      -0.24113342       0.30096314       0.04563858 
O       6.79630713       4.67688984      -4.55365985       0.36478113      -0.15181381       0.57977153 
O       6.90611010       3.98205701      -9.68494765       0.35703011      -1.25075893       0.48281176 
O       4.23873300       4.25811293      -3.29973470      -0.32161711      -0.21325402      -0.66249148 
O       4.18446179       3.31717893      -8.69870898       0.83953042       1.21790280       0.12697192 
O       9.60789218       4.19087224      -3.49451877      -1.33760287      -0.77570254       0.57452962 
O       9.50532885       3.36177895      -8.68220374       0.31127858       0.58680929       0.22941361 
O       4.29078526       9.37311915      -3.40148128       0.52340031      -0.06019162      -0.39692378 
O       4.37006072       8.40874509      -8.83295024       0.43261842       0.45784263       1.01828576 
O       9.49213795       9.23941132      -3.48125401       0.91691004       1.51684074      -0.04724027 
O       9.50157286       8.44752038      -8.62569725       0.62142969       0.58470844       0.01769644 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0025102632866979358 0.00577342824749325 0.002457343940042094 0.00577342824749325 -0.002505135662256694 0.0028386282579314494 0.002457343940042094 0.0028386282579314494 -0.003601699291504229" pbc="T T T" energy=-961.77607557 free_energy=-961.77607557 config_type=crystal 
Hf       2.79828183       3.10016000      -4.14919087       0.22413457      -1.14394210       0.10200354 
Hf       2.82905040       2.07633618      -9.40469754      -0.17184468      -0.54629591       0.50263885 
Hf       8.00015559       3.03300249      -4.19491461      -1.07253017      -0.59843541       0.75312604 
Hf       8.05468781       2.13349242      -9.38438846      -1.33855609      -0.20450281       0.34725985 
Hf       2.81524711       8.09824116      -4.07626336       0.37908448       0.67455011      -0.61714206 
Hf       2.76925665       7.24214742      -9.45720876       0.73909942       0.54786262       0.92595004 
Hf       7.94088467       8.20758801      -4.15477886       1.26971990       0.47885031      -1.32232096 
Hf       8.04425356       7.33104996      -9.47857934      -0.88762676      -0.66923201       1.63716760 
Hf       0.20758583       0.73090446      -3.71551860      -0.04683501       1.36503727      -0.16865598 
Hf       0.19313667      -0.12310753      -8.94872874       1.33116555       0.78339427       1.12715980 
Hf       5.40685568       0.77867552      -3.77584677       0.04082664      -0.18546015       0.56532216 
Hf       5.44326151      -0.15138318      -9.01049182      -0.93611025       0.91293599       1.31546042 
Hf       0.15620925       5.95421600      -3.68146772       0.88423368      -0.27881767      -0.52264386 
Hf       0.28735026       4.98865970      -9.00215026      -0.57714392       0.32720595       0.96206188 
Hf       5.47013705       5.99688501      -3.70955993      -0.85912852      -1.16881179      -0.69998151 
Hf       5.40983281       5.00910311      -8.98806814       0.02125818      -0.55204916       0.91260220 
Hf       2.44237298       1.27071209      -1.10006859      -0.93583094       0.52293142      -0.43076277 
Hf       2.37765858       0.30771145      -6.23610296      -0.56733735      -0.11941187      -1.94028053 
Hf       7.57302283       1.25962354      -1.16190023      -1.08047043       0.63806461       0.27644502 
Hf       7.60112369       0.36565567      -6.36996200       0.03830158      -0.52372126      -0.13531902 
Hf       2.43544265       6.26729914      -1.05403192      -0.08094834       0.06330606      -0.55527287 
Hf       2.39388210       5.48824605      -6.34341064      -0.17355354       0.14253442       0.03630364 
Hf       7.58347681       6.38940455      -1.09305745      -0.14897962      -0.35361632      -0.07974566 
Hf       7.56894339       5.48054304      -6.38643564      -1.40911607      -0.23945557       0.26986167 
Hf       4.96346605       3.49847439      -1.53033090      -0.24161856       0.21226055      -0.64566681 
Hf       4.94157692       2.51253450      -6.81356090       0.55577559      -0.07815174       0.04330007 
Hf      10.07611347       3.46809215      -1.52367468       2.07143213      -0.45828086       0.31531902 
Hf      10.08786427       2.67693035      -6.74135646       1.62171826      -2.07039926      -0.76890696 
Hf       5.06168302       8.59360511      -1.44289232      -0.94316989       0.56048471      -1.85063305 
Hf       4.99963789       7.67941144      -6.81612199      -0.37329881       0.44094459       0.09457394 
Hf      10.16202760       8.64032951      -1.50849262       0.30590338      -0.02579383      -0.78395911 
Hf      10.13435616       7.65900494      -6.71800536       0.53397578       0.73608902      -0.24429155 
O       1.37939686       2.36459092      -2.70959164      -0.41905720       0.01039562      -0.26361492 
O       1.39340527       1.45708888      -8.02589460      -0.50282458      -0.22014060       0.70928329 
O       6.44155472       2.35440945      -2.77235490       1.26710458       0.30661554      -0.30408213 
O       6.62724269       1.42371951      -7.94844554      -0.79442455       0.02094399      -1.12118271 
O       1.28158647       7.48028884      -2.73748970       0.20112688       0.48114113       0.44413769 
O       1.30055582       6.66966569      -7.94255387       0.37070699      -0.53314709      -0.56492412 
O       6.51671208       7.59015749      -2.83281191      -0.55637742      -0.52808654       1.48390056 
O       6.53311483       6.53801401      -7.98853898       0.16838878       0.39354653      -0.55981174 
O       3.98279416       1.40458972      -5.10253698      -1.31848598       0.33678700      -0.65673365 
O       3.89319553       2.45235853      -0.01355374       1.05659091      -0.79322644       0.62810192 
O       8.97468526       1.47186841      -5.12611311       1.45927305      -0.36500208       0.26900910 
O       9.12050723       0.62190886     -10.26669045       0.17106788      -0.82666912      -1.47203528 
O       3.94247255       6.62989531      -5.06157021       0.07887399      -0.84097056      -0.56569128 
O       4.02074066       5.68897921     -10.42738458      -0.61379013      -0.24588305       0.49285424 
O       9.19333842       6.50215264      -5.16185437      -1.14667353       0.37956545       0.27517238 
O       9.13722812       5.72577520     -10.43639765       0.32267581      -0.25410280       0.25625812 
O       3.88039874       1.96444657      -2.56127466      -0.09167746      -0.49621188       0.55087798 
O       3.88901334       0.88030457      -7.75390403       0.14822043       0.06378993       0.01877562 
O       9.09701872       1.83931973      -2.47049825      -0.54944667       0.44391895       0.02848990 
O       9.09598239       1.03261174      -7.75938964       0.13188210       0.13356329       0.42579073 
O       3.87717921       6.96090547      -2.43906706      -0.00082282       0.43685605      -0.01358022 
O       3.86490338       6.06000155      -7.78906556      -0.62000102       0.17126186       0.26247985 
O       8.98874738       7.12826396      -2.59889342       0.28182767      -1.00201532       1.17282760 
O       9.02866606       6.02066456      -7.68300461       0.92284556       0.71133562      -1.41688217 
O       1.29062551       2.84753047      -0.07092578      -0.87345798      -0.45362930      -0.99418472 
O       1.13124659       1.92436476      -5.35189375       0.51475501      -0.16371852       0.07950708 
O       6.47723707       2.83516736      -0.15222373      -0.43378010       0.03671543      -0.01310846 
O       6.46923966       1.87319179      -5.44774403      -0.64321157       0.63842398       0.53487468 
O       1.26489072       7.87938878      -0.02904640       0.35973663       0.43216826      -0.87858510 
O       1.26497083       7.11782271      -5.34539073       0.23052609      -0.70034122       0.31173062 
O       6.56105578       7.98889625      -0.10552836      -0.64549033      -0.22796950      -0.48700391 
O       6.48152712       7.02733775      -5.40408606       0.21418591       0.24579384       0.41832047 
O       3.44676394       3.70250401      -6.11337937      -0.59200098       0.38083584       0.41434215 
O       8.56566984       4.61460952      -0.86020194       0.40389622       0.55787327       0.20017369 
O       8.60029415       3.76083541      -6.08236106       0.09369611       0.12609833       0.09483404 
O       3.55873402       9.80777871      -0.77518227      -0.41019391       0.36280201      -0.25151648 
O       3.44549996       8.82428388      -6.05942463       0.03673293       0.56311048       0.07987330 
O       8.63481403       9.86187617      -0.77726023       1.10108079      -0.43757165      -0.20556239 
O       8.78656346       8.98183964      -5.93277613      -0.32210614      -0.57838991      -0.09685578 
O       0.85672731       0.09073891      -1.84137482       0.35318867      -0.82926525       0.82820766 
O       0.78689974      -0.81040859      -7.03781675       0.70740791      -0.17074106       0.09733353 
O       6.16145636       0.01335990      -1.90084519      -0.06675808      -0.14123190       0.52383922 
O       6.19717570      -0.96798722      -7.13473462      -0.50387458       0.14208188      -0.38077408 
O       0.86059198       5.18046202      -1.82528771       0.03546702      -0.17360165       0.46255359 
O       0.90751870       4.28377244      -7.13500690       0.15710939       0.27792678       0.34316081 
O       6.08931738       5.20836028      -1.87711314       0.24677473       0.37212464       0.52738848 
O       5.91703174       4.27749130      -7.01676129       1.18579860       0.60790506      -0.36591721 
O       1.69525321      -0.41643424      -4.43315052       0.43648085      -0.50964115       0.45696769 
O       1.75601243      -1.26367911      -9.71319937      -0.13262769      -0.71535331       0.05525199 
O       6.84605482      -0.40558233      -4.55461667       0.23356755      -0.60593924       0.58884217 
O       6.86641752      -1.22976826      -9.75026538       1.28027010      -1.60677089      -0.50028812 
O       1.67453506       4.70442347      -4.48148755      -0.78189732       1.09599607      -0.07551684 
O       1.80721289       3.76895019      -9.68056513      -0.48174958       1.06690097      -0.23594728 
O       6.90573086       4.67710707      -4.47748105      -0.72342192       1.05266328       0.25878574 
O       6.89140358       3.83438030      -9.70534189       0.58366156       0.16500052      -0.35831072 
O       4.20062109       4.33389978      -3.40609922       0.64189093       0.01734806       0.38112136 
O       4.42211495       3.18446816      -8.76786394      -0.19803249       0.36152072       0.02599754 
O       9.45745515       4.19167661      -3.38737006       0.27036950       0.39325169      -0.24175424 
O       9.52159142       3.31103414      -8.69752787       0.28319651       0.69475344      -0.27352977 
O       4.37362127       9.28557950      -3.42021043      -0.58939534       0.04033859       0.19883514 
O       4.35408834       8.36239948      -8.69705566      -0.06464459       0.55843915      -0.34004208 
O       9.46044319       9.38833863      -3.34067827      -0.35399461      -0.04081416      -0.18974946 
O       9.42051453       8.45220606      -8.56810291       0.24679159       0.19903989      -0.65410463 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004117324503653125 0.00010717694152487287 -0.0031648340539809734 0.00010717694152487287 -0.0011144007950312492 0.0016622191869646835 -0.0031648340539809734 0.0016622191869646835 -0.0033263201202742205" pbc="T T T" energy=-961.4736513 free_energy=-961.4736513 config_type=crystal 
Hf       2.81681916       2.97730575      -4.05799161      -0.08372779       0.02090174      -1.04739523 
Hf       2.79673773       2.14725495      -9.43452655       0.83480026      -0.25392500       0.59644394 
Hf       7.98451674       3.07560817      -4.16340824      -0.32376046      -1.50254286       0.18637575 
Hf       8.09366461       2.14806003      -9.43960684      -1.88539340      -0.42559077      -0.64504150 
Hf       2.89434645       8.18809546      -4.11363064      -1.14392365       1.20420741       0.09279685 
Hf       2.81671318       7.31589808      -9.31136603       0.70640130       0.09039946      -0.78986588 
Hf       8.00461542       8.09524307      -4.11644983      -0.83148497       0.58694812      -1.31507444 
Hf       8.15513609       7.22600217      -9.41716845      -2.86695410      -0.12441054       0.45290713 
Hf       0.16193212       0.70749440      -3.67287719       0.27266423       0.62024157      -0.21306504 
Hf       0.15864640      -0.12141707      -8.97067906       0.90583880      -0.00023315      -0.13481550 
Hf       5.44056990       0.80366182      -3.71422377       0.18151848       0.17592015      -0.86609104 
Hf       5.45065711      -0.06480744      -9.00985737       0.18204284      -0.02825436      -0.31970103 
Hf       0.22416594       5.91044968      -3.76754248       0.02241537       0.22194827       0.88566667 
Hf       0.30191569       4.97769019      -9.03147755      -0.24393219       0.56905928       0.37188035 
Hf       5.31975301       5.95895493      -3.76037951       0.61377250      -0.68812236       1.36156883 
Hf       5.44656147       5.04825212      -9.05827778       1.02361968      -0.47819881       1.44566357 
Hf       2.37709398       1.28007055      -1.08622335      -0.37814743      -0.96116914      -0.00445759 
Hf       2.31291281       0.36659330      -6.33775849       0.92005094      -0.39945035       0.30071304 
Hf       7.53886525       1.15295656      -1.11195357       0.05951619       1.24315032      -0.11218621 
Hf       7.55709772       0.31635504      -6.36895080      -0.09583857       0.21211538       0.60385022 
Hf       2.39905085       6.39794074      -1.01160452      -0.25937479      -0.34487318      -2.11528995 
Hf       2.38523259       5.45061315      -6.35615016       0.29606477      -0.27994681       0.17035827 
Hf       7.63595487       6.37669434      -1.19370052      -1.42759230      -0.58652120       1.39369486 
Hf       7.54157899       5.43239552      -6.35199435      -1.06361004       1.02128677      -0.90554172 
Hf       4.96511271       3.50189623      -1.48209635       0.01510215       0.45999708      -0.24566814 
Hf       4.93321679       2.55795568      -6.80758648       0.39879657       0.62413064       0.19393699 
Hf      10.12693250       3.42902070      -1.54621303       0.50773526      -0.16316170      -0.64474755 
Hf      10.17893790       2.57431491      -6.76353075       0.44987373      -0.27045747       0.04341669 
Hf       4.96551149       8.62378644      -1.43430189       0.03507333       0.09242919      -1.03649612 
Hf       5.00822048       7.77982292      -6.81114072      -0.87408927      -0.69722864       0.03772242 
Hf      10.14509910       8.59392649      -1.49658527       1.77925561      -0.26516336      -1.06387147 
Hf      10.10936231       7.71217711      -6.74421010      -0.03790867      -0.33680717      -0.44844436 
O       1.29177083       2.32597681      -2.67280673       0.76374580      -0.01862495      -0.74659824 
O       1.26943034       1.46879677      -7.93452764       0.16736882      -0.66170457      -0.67366336 
O       6.50154610       2.47254727      -2.73073730       0.38638478      -0.79883863      -0.36160891 
O       6.49624538       1.48736123      -8.03725497       0.66029581       0.10836819       0.16483730 
O       1.33495944       7.68527534      -2.72463782       0.08234459      -1.58675427      -0.97359091 
O       1.40238830       6.45834111      -8.04942473      -0.28066244       0.59164357       0.30087960 
O       6.51418651       7.46011510      -2.74807628       0.32963253      -0.05580301      -0.28070318 
O       6.55874768       6.60044394      -8.03879541       0.40061176       0.32542285       0.04578196 
O       3.99872914       1.45048454      -5.14219045      -0.85473524       0.07186197       0.02416611 
O       3.94701591       0.69842675     -10.42412720      -0.53940061      -0.76741186       0.13263571 
O       9.05940014       1.38631381      -5.11729230       0.65996413       0.51188434      -0.33748664 
O       9.12603175       0.48805894     -10.46140973      -0.08678820       0.05449738       0.97932093 
O       3.91558309       6.63399608      -5.08334433      -0.65479188      -0.33872998      -0.06483121 
O       4.00144235       5.73537185     -10.28009855      -1.75898454       0.24439095      -0.93366464 
O       8.96751086       6.48874070      -5.14866133       0.90732954       0.52810321       0.45397679 
O       9.15905346       5.71446134     -10.42822809       0.47180325      -1.21468082       0.04096176 
O       3.92070249       1.88678543      -2.53295185      -0.95768570      -0.33257096       0.65997387 
O       3.84214375       1.03661824      -7.78053310      -0.22697892      -0.13590105       0.14854677 
O       9.04278803       1.87675776      -2.53629555      -0.43308728      -0.32400612      -0.04089249 
O       9.08374928       0.97366632      -7.78452542      -0.46189854       0.05986362       0.13316578 
O       3.80383993       7.14449149      -2.41518705       0.76733184      -0.69822327      -0.36859764 
O       3.91261209       6.15506554      -7.68926684      -0.20968474       0.63195416      -0.16051672 
O       9.12268109       7.01440194      -2.57398341      -0.87040065      -0.57151107       0.62992941 
O       9.11245818       6.12699130      -7.82670343      -0.13501500      -0.78533688       0.72279994 
O       1.18255854       2.77271986      -0.18492990       0.82006985       0.21970551       1.43926932 
O       1.25570248       2.01262429      -5.33391296      -0.42886978      -0.71765664      -0.14819380 
O       6.42601915       2.78191561      -0.18400658       0.66921756      -0.32917114       0.82943898 
O       6.47988597       1.85702355      -5.34871186      -0.12071823       0.59864668      -0.78081734 
O       1.34150200       7.95955289      -0.19375091      -0.58340771       0.03585597       1.35047432 
O       1.14288185       7.01500845      -5.45844423       0.74123594      -0.55419642       0.98394679 
O       6.41716973       7.95592987      -0.13269516       1.21517695      -0.10538544      -0.47551386 
O       6.37223254       7.05277844      -5.38448641       0.59779953      -0.30596365       0.19422284 
O       3.51667296       3.77038419      -5.95264691       0.05267670       0.26094043      -0.10317239 
O       8.62358535       4.57152079      -0.87657771      -0.34367751       0.78759700       0.02714212 
O       8.74041019       3.85649032      -6.04068298      -0.00432480      -0.87266837      -0.27254437 
O       3.57435063       9.84168302      -0.70340227      -0.83524266       0.76217940      -0.21205487 
O       3.46521045       8.94065582      -6.07588944       0.26868796      -0.18981827       0.30747338 
O       8.62803374       9.71325078      -0.80322849      -0.05541533       0.80911003      -0.57306569 
O       8.71174263       8.93517187      -5.98718565       0.26389941      -0.50282815      -0.38616659 
O       0.78462791       0.05585156      -1.75235569       0.51705750       0.32373930      -0.12674210 
O       0.94624728      -0.98343493      -7.05801284      -0.21354115       0.96392512      -0.37151069 
O       6.06828887       0.01991319      -1.90855630       0.71676668       0.04446433       0.67943226 
O       6.13693090      -0.92910867      -7.19874231       0.80429854       1.05495689       0.16433176 
O       0.78118747       5.20195065      -1.74712471       1.00763828       0.89020312      -0.60346650 
O       1.05688439       4.14320977      -7.19924381      -0.79095731       0.23312963       0.30187231 
O       6.02356956       5.21472592      -1.66364853      -0.05027647       0.48424501      -1.05131102 
O       6.02688438       4.31500179      -7.13069368       0.39232148      -0.69316504       0.43973071 
O       1.79992888      -0.32180749      -4.37582247      -0.60749907       0.06254415      -0.40250411 
O       1.64393356      -1.34016559      -9.72698118       0.16676321       0.45859879       0.06707276 
O       6.86361265      -0.48341467      -4.57196458      -0.12958134      -0.15508992       0.85832370 
O       6.95572169      -1.31701024      -9.75554581      -0.35198284      -0.01310558       0.47669079 
O       1.67873004       4.69599664      -4.42402656       0.15984742       0.37082810      -0.28503174 
O       1.79813708       3.82128880      -9.75283099      -0.83347861       0.42084024       0.37189568 
O       6.70408942       4.64233966      -4.46691431       0.50257454       0.56624614      -0.33540959 
O       7.00495641       3.87370810      -9.73799524       0.18415130      -0.14395732       0.26376547 
O       4.15569501       4.27211652      -3.24751729       0.30181402       0.97118711      -0.53162848 
O       4.25366365       3.41527787      -8.72044099      -0.28583783      -1.12702238       0.23599704 
O       9.50959874       4.18221183      -3.50723508       0.23990558       0.59044909       0.47281018 
O       9.57945861       3.26489051      -8.80325731       0.51836664       0.41767855       0.88378399 
O       4.32944433       9.41017978      -3.44344655      -0.29861817      -0.79688613       0.34461845 
O       4.22862792       8.65103545      -8.66679654      -0.29776564      -1.30763730       0.16370984 
O       9.51201438       9.24189578      -3.43116695       0.08231354       1.11242843       0.05232813 
O       9.56227701       8.38098168      -8.66498582       0.26311742       1.26586398      -0.18308484 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0036642026002530474 0.0001756598968841975 0.0004394736952586545 0.0001756598968841975 -0.00477720321257605 -0.00040526823420740306 0.0004394736952586545 -0.00040526823420740306 -0.0013131129256832557" pbc="T T T" energy=-962.06169468 free_energy=-962.06169468 config_type=crystal 
Hf       2.80212271       3.06786637      -4.21470087       0.00063303       0.06858496       0.79768367 
Hf       2.86030909       2.15283304      -9.44970892      -0.12051360      -0.32642477       0.58670735 
Hf       7.98965100       3.04341624      -4.17051188       0.40950731      -0.06274477       0.53717865 
Hf       8.04831513       2.07332728      -9.45822710       0.09790093      -0.14913595       1.54499183 
Hf       2.82082493       8.27802544      -4.18667785      -0.36827135      -2.24105982      -0.41229799 
Hf       2.80870122       7.24126000      -9.41936832      -0.18962411      -0.03111490      -0.35606313 
Hf       7.98002325       8.08795614      -4.16136755      -0.01757891       0.04356866       0.07302303 
Hf       8.03892376       7.24496868      -9.43948965      -0.17537264      -0.22417103       0.20994186 
Hf       0.16339154       0.75919360      -3.66626770       0.78321369      -0.04385546      -0.40983103 
Hf       0.29066965      -0.09266173      -8.94007952      -0.29826844      -0.07628313      -0.63296783 
Hf       5.36282535       0.76617386      -3.64254583       1.23192869       0.13775531      -0.34606302 
Hf       5.42040348      -0.17813016      -8.93765850      -0.06592252       1.07996065       0.77663062 
Hf       0.19236904       6.02480411      -3.73018277       0.47879658      -0.80357033      -0.86843729 
Hf       0.21404891       4.96974989      -9.01355768       0.11695772       1.17479451       0.25676865 
Hf       5.43680581       5.90530518      -3.64905147      -0.28592447       0.21042785      -0.96704344 
Hf       5.46449896       4.91303958      -8.96273642      -0.00928640       0.98025666       0.70374884 
Hf       2.33994878       1.24243526      -1.11889876       0.65252546       0.04406860       0.63669573 
Hf       2.39402392       0.36857822      -6.40923346       0.18234959      -0.13600058       0.97786547 
Hf       7.50332317       1.29298370      -1.05212197       1.17690937      -1.38660193      -0.32949059 
Hf       7.56362054       0.30780995      -6.32347171      -0.02924851       0.65109012       0.50133725 
Hf       2.44529753       6.35779017      -1.09965455      -0.60657172       0.45540668      -0.37334362 
Hf       2.39509901       5.50144714      -6.38016710      -0.41639854       0.39024426       0.52763443 
Hf       7.60122666       6.37337846      -1.05553970       0.16433526       0.13785040      -0.59312031 
Hf       7.57835024       5.55079713      -6.41051642      -0.93049689      -0.79097213       0.66717421 
Hf       4.95309789       3.46005251      -1.46576563      -0.33662016       0.39978464      -0.04978268 
Hf       4.97917992       2.49180982      -6.71932749       0.93037210       0.20963050      -0.70043450 
Hf      10.24399736       3.51757390      -1.54137888      -0.28440998      -0.22890811      -0.53224446 
Hf      10.12943760       2.62397987      -6.71890757       0.52548589      -0.49658561      -0.84855596 
Hf       4.92421235       8.56428635      -1.51531033       1.13813331       0.50429962       0.74288115 
Hf       4.91199908       7.69065694      -6.81014600       0.97624573       0.14742982       0.37484875 
Hf      10.15820521       8.61862189      -1.55186886       0.28368916      -0.64837202      -0.11020277 
Hf      10.12995400       7.76209450      -6.82484062       0.67927637      -0.87972043       0.64206009 
O       1.34606573       2.41248410      -2.72139146      -0.19333133      -0.46625228      -0.46242390 
O       1.48220322       1.41718300      -7.98815717      -1.14443667       0.57799892      -0.47035879 
O       6.41763802       2.36460030      -2.69571942       1.43810003       0.02915416       0.43687306 
O       6.51428522       1.46404970      -7.94856314       0.43533449       0.14451702      -0.20183231 
O       1.28280639       7.50594572      -2.83428105       1.17251360       0.87790849       0.48164150 
O       1.33606580       6.65791582      -8.03636484      -0.25768597      -0.45380060      -0.06769536 
O       6.58694923       7.47568841      -2.64527493      -0.46592853      -0.18061793      -0.96816133 
O       6.49844823       6.55688008      -7.98764653       0.42970938       0.26806883      -0.60801008 
O       3.96930933       1.38781826      -5.09417652      -0.90848401       0.46430008       0.10436206 
O       3.94274830       0.51987620     -10.31787125       0.14722552       0.93011323      -0.56758836 
O       9.20937293       1.45459869      -5.07945134      -1.26841683       0.23923982      -0.67655572 
O       9.13530124       0.54434417     -10.42665427       0.20511375      -0.22816034       0.15622538 
O       3.98112579       6.65452034      -5.21142280      -0.41309777      -0.40675117       1.02782733 
O       4.06449825       5.65232289     -10.36793583      -1.01587081       0.32488027      -0.29238388 
O       9.06989080       6.56339069      -5.16642779       0.38333773      -0.11407123      -0.22966603 
O       9.16842862       5.66481468     -10.45011992      -0.01646448      -0.12742272       0.46536665 
O       3.84994313       1.96431953      -2.41072357      -0.02264040      -0.60865961      -0.91505219 
O       3.93399033       0.93942371      -7.71547704      -0.15209021       0.14865881      -0.12428657 
O       9.11455858       1.88969649      -2.52556826      -1.13233535       0.24700518       0.53879376 
O       9.01175887       0.99265110      -7.76568674       0.68739324       0.05472959       0.40998876 
O       3.92170650       6.98205699      -2.48004119      -0.52553344       0.27986431      -0.22078248 
O       3.84086471       6.13139912      -7.74503461       0.05786917      -0.24683300      -0.51173547 
O       9.09457815       7.01382254      -2.56786640      -0.64657395      -0.12173811       0.76870869 
O       9.05481043       6.04919901      -7.78205274       0.10418842       0.75966789      -0.50622814 
O       1.29806517       2.80099969      -0.07796254      -0.50006044       0.50416903      -0.44704615 
O       1.24269757       1.84563914      -5.39349675       0.32695486       0.85831309       0.30663846 
O       6.47925268       1.01337296     -10.49808975      -0.37098018      -0.27144427      -1.12248162 
O       6.38542260       1.88602978      -5.27060168       1.22971633      -0.32723595      -0.04976750 
O       1.28066901       7.98869244      -0.19050949       0.38825781      -0.41898721       0.22035280 
O       1.22389789       7.04575064      -5.42419741       0.05083776       0.32234155      -0.16194081 
O       6.56923388       7.91215968      -0.13056133      -0.67082720       0.22121977       0.49409379 
O       6.44922390       7.04671049      -5.46177166       0.21696240       0.05798569       1.16913609 
O       3.53963437       3.73909340      -6.06158303      -0.90653178       0.47803698       0.38693141 
O       8.78005103       4.71362028      -0.79504875      -0.36225872      -0.25542393       0.28262817 
O       8.64663008       3.78434000      -6.05297612       0.26713922      -0.42888732       0.14547001 
O       3.46929228       9.81271571      -0.79262238       0.46683785      -0.57888791      -0.30705622 
O       3.49052433       8.97351917      -6.07796342       0.18393892      -0.52992618       0.11839920 
O       8.69401284       9.80615139      -0.79201880      -0.45013996       0.66009941       0.14209139 
O       8.63586241       8.89992440      -6.03016748       0.61814600      -0.10790426      -0.45776387 
O       0.92281997      -0.01057530      -1.76752378      -0.66346041       0.40875266      -1.11629940 
O       0.92438205      -0.86677699      -7.12370271      -0.08211830      -0.06908261       0.46126299 
O       6.06098252       0.00200127      -1.72335622       0.03677156       0.43497137      -0.30517278 
O       6.12848598      -0.81256458      -7.03764128      -1.21378745      -1.37728489      -0.27473828 
O       0.98981670       5.21418546      -1.86210707      -0.26353447      -0.62585817       0.16489488 
O       0.91656855       4.31874263      -7.12554934      -0.34651383      -0.76846771       0.36140165 
O       6.03236090       5.19460936      -1.71739703       0.02749745      -0.38148225      -0.14274523 
O       6.11094904       4.24262113      -7.04694217      -0.22052687      -0.16009952      -0.17037923 
O       1.75866102      -0.42019434      -4.42733078      -1.26400916       1.31704132      -0.16943801 
O       1.74245133      -1.30867236      -9.76687006      -0.59302663       0.10019634       0.95722966 
O       6.92355364      -0.53268735      -4.35728600      -1.29591172       1.90680911      -0.30386243 
O       6.87239682      -1.40887708      -9.59268583       0.43169434       0.69037539      -1.12116247 
O       1.74270257       4.80491151      -4.45712409       0.23105210      -0.84803279      -0.25015264 
O       1.71622809       3.92325670      -9.76808320       1.27563162      -1.57774987       0.09584574 
O       6.84132817       4.66334769      -4.42286194       0.08467635       0.73312953      -0.07506390 
O       6.91844567       3.74816499      -9.64169238       0.51649088       0.29454187      -0.77289508 
O       4.29799654       4.24915427      -3.39516874      -0.30348090      -0.32880893       0.49241363 
O       4.28150205       3.30205358      -8.64651970      -0.05134280      -0.11102703      -0.15155737 
O       9.47838307       4.30287373      -3.42690235      -0.12636143      -0.87765419       0.25792879 
O       9.61177451       3.21678360      -8.70930449      -0.17505674       0.28626711       0.16892693 
O       4.25193127       9.39889338      -3.38942209       0.37194117      -0.44584397       0.63530970 
O       4.27785974       8.43929045      -8.68809057       0.18276403       0.15314150       0.30061552 
O       9.46745331       9.30477484      -3.47283559       0.91847806       0.86932220       0.47743532 
O       9.52533588       8.49156226      -8.62871869      -0.56303754      -0.25347833      -0.82584968 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005054252018704778 -0.0003087481514697184 -0.0024776293814709996 -0.0003087481514697184 -0.0040125217822676645 0.003558858278154698 -0.0024776293814709996 0.003558858278154698 -0.004399468028986983" pbc="T T T" energy=-961.94631359 free_energy=-961.94631359 config_type=crystal 
Hf       2.80711691       2.88476959      -4.10207968       0.29531130       0.83122023      -0.75727254 
Hf       2.78640344       2.08676023      -9.43949805       0.16256431       0.92354507       0.20933755 
Hf       8.02386136       3.08812404      -4.17647863      -0.07469145      -0.20687056      -0.11202320 
Hf       8.02060307       2.15717952      -9.44211900      -0.33243024       0.30910661       1.06144674 
Hf       2.79635506       8.14742693      -4.19326130       0.29957402       0.47064142       0.88493145 
Hf       2.82403678       7.36412118      -9.39360860      -0.21341236      -1.12824238       0.59682457 
Hf       8.00294736       8.05044893      -4.18760085      -0.10295803       0.80290753       0.13935732 
Hf       8.03933906       7.28298746      -9.33972664      -1.04976969      -0.24303372      -0.82169087 
Hf       0.16090473       0.72560679      -3.76759614       0.16080665       0.31700536       0.37097401 
Hf       0.08555587      -0.05885826      -8.95615161       1.74291078       0.06255657       0.20788508 
Hf       5.50446783       0.78641560      -3.74113246      -0.12417858      -0.13066334      -0.21521727 
Hf       5.45663943      -0.01711828      -8.88471550      -0.36797712      -0.22834463      -1.40317206 
Hf       0.26082716       5.88721317      -3.72104453      -0.23028638       0.06922678       0.71777545 
Hf       0.25744491       5.04866339      -8.88086997      -0.21345797      -0.38896009      -1.82986316 
Hf       5.39856703       5.94466186      -3.75617455       0.34337718      -0.31733707       0.63044422 
Hf       5.36975994       5.10217590      -9.00706212       0.06245680      -1.09536397      -0.40436664 
Hf       2.38445218       1.15712745      -1.05726432      -1.21335239       1.69814113      -0.31099792 
Hf       2.38300979       0.31725728      -6.32745543      -0.08277094       0.79820105      -0.90714658 
Hf       7.62366076       1.22412250      -1.05017632      -1.26971196       1.31762938      -0.06399130 
Hf       7.60259870       0.33505752      -6.37986332      -0.42612979      -0.12800143       0.73343077 
Hf       2.38802997       6.38694183      -1.12356564      -0.73319175      -0.03425958       1.37058402 
Hf       2.41606527       5.45341513      -6.24678237       0.33809775      -0.05792855      -0.70575912 
Hf       7.58237420       6.32727419      -1.06190494      -1.02005390       0.63111599       0.39362811 
Hf       7.50577465       5.43067118      -6.43847738       0.05188498      -0.09582247       0.74720507 
Hf       4.87417030       3.50144182      -1.51772032       0.74786725       0.16981407       0.51865731 
Hf       4.94810733       2.54951573      -6.77667969      -0.10888497       0.43378869      -0.77635987 
Hf      10.22150674       3.39359431      -1.58917176      -0.63463573       0.35797642       0.63701292 
Hf      10.24868681       2.60613201      -6.77985864      -1.13052042      -0.40505231      -0.07685726 
Hf       4.94880597       8.66368563      -1.57174636       0.78718494      -0.88055367       0.24528807 
Hf       4.95506758       7.74964273      -6.79324058       0.32785713      -0.37939461      -0.46614028 
Hf      10.14512352       8.60988547      -1.51432328      -0.10640136       0.09961518       0.06148376 
Hf      10.23949452       7.71360878      -6.79648674      -0.18515772       0.19474119       0.59465691 
O       1.27480420       2.31672811      -2.83468668       0.23896258       0.28515903       0.56568968 
O       1.26174360       1.51424391      -8.05407670       0.51306147       0.01233996       0.11078003 
O       6.65712954       2.33978730      -2.81113902      -0.86399136      -0.27461537       0.57454131 
O       6.62706148       1.47457983      -7.95844325      -0.69236487       0.12535509       0.58599079 
O       1.27486177       7.51814627      -2.70477513      -0.36465298      -0.09453824      -0.16523352 
O       1.29462432       6.59749103      -7.98107548       0.63438677       0.55282067       0.89663296 
O       6.49989664       7.53077399      -2.76613078      -1.00985336      -0.26260254      -0.13795222 
O       6.50473883       6.57538929      -8.03561268       0.06147212       0.65080554       0.16122633 
O       3.95094261       1.36339366      -5.14570373      -0.06080921       0.15847453       0.37044437 
O       3.89938659       0.55050268     -10.41809314      -0.06378532       0.43391510      -0.17015206 
O       9.21986100       1.63492184      -5.08873344      -0.73875228      -1.33446028      -0.51748671 
O       9.07043931       0.54435054     -10.35012023      -0.08776059      -0.31661698      -0.29895052 
O       3.94624370       6.57621351      -5.19027809      -0.05753614       0.09745684       0.79434952 
O       3.92633257       5.72621554     -10.43202343      -0.03024567       0.16247395       0.09141018 
O       9.16780583       6.50675169      -5.08745741       0.47375440       0.30662849      -0.19690037 
O       9.12493069       5.65144425     -10.29861244       0.02416445       0.62464882      -0.49923533 
O       3.80973258       1.89436895      -2.52519696       0.36910760      -0.32761258       0.42002466 
O       3.84393109       0.97689585      -7.81728263      -0.15615555       0.31430884       0.77105914 
O       9.12281814       1.84641075      -2.47450969      -0.40613292      -0.14270471       0.22017087 
O       9.06117428       1.03254372      -7.70533263       0.39211697      -0.51256662      -0.39400648 
O       3.73992227       6.95850938      -2.53271212       1.26594503       0.66243262      -0.75287964 
O       3.82917189       6.23026030      -7.71609657      -0.20718175      -0.54903263      -0.70445666 
O       8.88639113       7.12048076      -2.46658206       1.72445773      -0.66705766       0.10516503 
O       8.98896090       6.18730717      -7.70162278       0.76221096      -0.01299113      -0.22280863 
O       1.13474074       2.76046205      -0.10429265       1.08984556      -0.22015837      -0.12444113 
O       1.30283223       1.89157316      -5.43143442       0.32715464       0.08747844       0.55608414 
O       6.44007285       1.05963080     -10.47538244      -0.38112540       0.03381745      -1.64519333 
O       6.39724073       1.93450449      -5.42073464       0.96037510      -0.39193486       0.47762042 
O       1.25205735       7.97529169      -0.04288712      -0.16296783       0.26371579      -0.89180269 
O       1.38950018       7.13526675      -5.29286429      -1.45788673      -1.17492507      -1.02959630 
O       6.46254187       7.97707070      -0.13732823      -0.13007154      -0.06075884      -0.09495061 
O       6.40838837       7.02660723      -5.39334207       0.44552480       0.51313482      -0.29530576 
O       3.45099611       3.70288678      -5.99557677       0.10397043       0.38890024      -0.19236815 
O       8.67512329       4.62676694      -0.77794298       0.32508154       0.21307803      -0.71865507 
O       8.64004212       3.76149127      -6.08346866       0.03557014       0.39748518      -0.58508381 
O       3.44927163       9.85025550      -0.76939970       0.81082710      -0.92313996      -0.29603204 
O       3.48364325       8.94042016      -6.13932631      -0.04188597      -0.64211958       1.08029215 
O       8.59251566       9.84672809      -0.78200839       1.41701595      -1.47247786       0.25090113 
O       8.76413393       8.87051042      -6.00068415      -0.28912921       0.54852443      -0.69616166 
O       0.89374138       0.04603507      -1.91702334      -0.26290907      -0.86580052       1.12954679 
O       0.88533272      -0.77339178      -7.07772422      -0.65035345      -1.00962680       0.15066718 
O       6.05652581       0.08540868      -1.82725541      -0.13966961      -0.22191737       0.14945068 
O       6.08940923      -0.87933093      -7.07920396       0.80082900       0.71224211       0.46877988 
O       0.99560451       5.08664056      -1.82062461      -0.56005831       0.30319696      -0.54415993 
O       0.91567810       4.29016677      -7.02368128       0.21620258       0.48072371       0.09486321 
O       6.01602829       5.19902037      -1.81813188       0.21439737      -0.03019359       0.26023506 
O       5.94041240       4.32123758      -7.11324528       0.51012369      -0.02089627       0.66862758 
O       1.70026268      -0.42183272      -4.44552746       0.28533344      -0.29346411      -0.32479589 
O       1.67377657      -1.32257757      -9.62401244      -0.21990839       0.77507305      -0.70858612 
O       6.94267376      -0.44074516      -4.53374256      -0.50422274       0.40422117       0.53258671 
O       6.91427054      -1.25061806      -9.57451751       0.93213542      -0.71774595      -0.71505294 
O       1.70989833       4.66903124      -4.38127259       0.08293037       0.52173920      -0.55111034 
O       1.74766362       3.88545428      -9.73999518       0.34217832      -0.80335816       0.40376648 
O       6.94748021       4.81308044      -4.52358775      -0.52580349      -0.40432607       0.82657645 
O       6.89902829       3.84869640      -9.62958857       0.10539177       0.38099709      -0.51284731 
O       4.38117761       4.17306365      -3.40639376      -0.82302295      -0.18924524      -0.40865904 
O       4.36796053       3.28072005      -8.72508749      -0.98656434      -0.29330416      -0.34631008 
O       9.48057199       4.20645202      -3.39030456       0.47273890       0.85428250      -0.06951046 
O       9.51960303       3.35272602      -8.66556367       0.14150169      -0.11312478       0.19917638 
O       4.27894116       9.35099961      -3.42980734       0.45094509       0.21196994       0.03779463 
O       4.31999955       8.57660686      -8.71950307      -0.30158591      -1.05642996       0.32103724 
O       9.41459289       9.35272313      -3.41413616       0.39028105      -0.00630332       0.18659603 
O       9.58544207       8.41672528      -8.66954329      -0.40087740       0.17230562      -0.00695327 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0002469859657560171 -0.0028051695372735275 0.00017214284394081704 -0.0028051695372735275 -0.003388296077675483 0.005753257699764333 0.00017214284394081704 0.005753257699764333 0.001046613998875298" pbc="T T T" energy=-961.83688104 free_energy=-961.83688104 config_type=crystal 
Hf       2.78097690       3.04380136      -4.11820080       0.37450857      -0.30353812      -1.32776690 
Hf       2.73991445       2.16191614      -9.40698855       1.47998102      -1.18718739       0.79008436 
Hf       8.03058014       3.01541594      -4.07417038       0.37630499       0.46160183      -1.57718670 
Hf       7.98655459       2.06861049      -9.43558228      -0.46602728       0.26660098       0.71387976 
Hf       2.80961162       8.09771387      -4.15840555      -0.40603010       1.20196593      -0.25250591 
Hf       2.74281044       7.22392688      -9.48927954       1.58078663       0.18955947       0.39879438 
Hf       8.08501604       8.22474992      -4.13048470      -0.73647894      -0.45203191       0.08902061 
Hf       8.00054575       7.31279323      -9.41827836      -1.54397043      -0.34761063       0.02874173 
Hf       0.27220983       0.82661088      -3.74841514      -0.63700481      -0.43797981      -0.51238784 
Hf       0.21492460      -0.13946393      -9.02142062      -0.42812082       0.50443189       0.96040052 
Hf       5.43911900       0.81545066      -3.69262974      -0.69346437      -0.59094880      -0.51166040 
Hf       5.30710605      -0.13916548      -8.91733252       1.03311718       0.15116990      -0.60358705 
Hf       0.15649904       5.95510300      -3.75003685       0.84407313       0.24313288      -0.23545757 
Hf       0.21254917       5.00263851      -8.99126430      -0.70060381       0.64339451       0.01987695 
Hf       5.35495969       5.93569682      -3.68746471       1.22143259      -0.26008981      -0.64584359 
Hf       5.36095011       5.02164317      -8.96442880       0.62008640      -0.26398535       0.07570758 
Hf       2.42543773       1.21143218      -1.12433040       0.00443330      -0.25217628      -0.15253165 
Hf       2.47953252       0.33535086      -6.31997271      -1.37983437      -0.39601892      -0.32587764 
Hf       7.52300550       1.30092737      -1.16220065       0.11900844      -1.08454022       1.81104699 
Hf       7.54140318       0.30028721      -6.34041598       0.52934928       0.58376763       0.17894136 
Hf       2.40535360       6.28877442      -0.99656947       0.03534316       0.75031360      -2.05385627 
Hf       2.39089031       5.46770321      -6.36496918      -0.29140315      -0.01759594      -0.08708492 
Hf       7.60149722       6.37638959      -1.01836500      -0.29865048       0.09295285      -0.15622041 
Hf       7.56146061       5.46236892      -6.30685695       0.33313063       0.50938122       0.17113165 
Hf       4.98380038       3.50317863      -1.49835987      -0.67142048      -0.28228333      -0.00053999 
Hf       5.03164156       2.60252900      -6.69475780       0.15985699      -0.42765818      -1.47684951 
Hf      10.21030662       3.46688946      -1.50590118      -1.11768135       0.17663786      -0.47406924 
Hf      10.18260703       2.59172057      -6.81135577      -0.16608573      -0.83121048       0.24668400 
Hf       5.07224216       8.55196474      -1.64172509      -1.20357400      -0.05855577       1.25530179 
Hf       5.04428925       7.63620991      -6.80098477      -0.87314822       0.01832925       0.43617231 
Hf      10.17862266       8.68708065      -1.52557749      -0.76230255      -0.73861097      -0.60406444 
Hf      10.14112336       7.71786197      -6.84514592       0.54308461       0.26660866       0.79065292 
O       1.31377851       2.39246402      -2.76167444       0.09823630       0.08769588       0.45069139 
O       1.22677413       1.46963406      -7.97400690       1.10177198      -0.15891526      -0.91633400 
O       6.54097373       2.38069512      -2.74837776      -1.01682335       0.09958783       0.63525357 
O       6.47371985       1.42187471      -7.98456723       0.26779007      -0.15720698       0.41557938 
O       1.26287022       7.51426248      -2.88606699       0.07883352       0.25652505       0.87046115 
O       1.37270426       6.66349569      -8.01019328      -0.70678296      -0.59459240      -0.47859890 
O       6.57009472       7.43548964      -2.71179634      -0.23339478       0.58232901       0.02282611 
O       6.47127148       6.55543663      -7.97354582       0.38103691       0.67579402       0.04448087 
O       3.95477736       1.49484975      -5.14924443      -0.00927241      -0.53416671       0.30158310 
O       3.89560099       0.58509111     -10.44363613       0.29537137       0.16509877       0.22792305 
O       9.11783952       1.38665860      -5.03428948       0.20749381       0.65709133      -1.07368466 
O       9.06226651       2.32560627      -0.00777936       1.03658620      -0.24476222       1.17102671 
O       3.92574251       6.61476420      -5.06368681       0.16341503      -0.85063445      -0.75428786 
O       3.93539800       5.61887537     -10.35036090      -0.64705617       0.25438584      -0.52590718 
O       9.19438981       6.69444246      -5.18734884      -0.22097205      -0.91221231       0.83464236 
O       9.09072200       5.75614146     -10.36137276       0.27943240      -0.77558422      -0.29652572 
O       3.88244864       1.84856203      -2.54351806      -0.30914387       0.29400498       0.52489920 
O       3.85323145       0.96205018      -7.78141578      -0.42490194      -0.08936030       0.40966185 
O       8.93453664       1.94553463      -2.51746748       1.61576231       0.06178288       0.05370506 
O       8.98737929       1.02080057      -7.80327232       0.05542518      -0.22790282       0.46757837 
O       3.76308649       7.01288517      -2.44928371       0.80639471      -0.17128494      -0.69399471 
O       3.84770287       6.03600119      -7.75591910      -0.02894931       0.48446614       0.08851220 
O       9.07491264       7.03624655      -2.51860710      -0.21191718       0.31633182       0.37360356 
O       8.96805760       6.20025223      -7.75735904       0.77588596      -0.79350301      -0.23412739 
O       1.27674999       2.77499543      -0.12519154      -0.37367301       0.38410472       0.09643850 
O       1.28827855       1.96846287      -5.40458190       0.03048669      -0.19223137       0.17583792 
O       6.47385492       2.85769857      -0.09171704      -0.86024855      -0.21927517      -0.80749109 
O       6.50124280       1.92675012      -5.32670253      -0.24732748       0.15612842      -0.28894580 
O       1.19191396       7.88581143      -0.14214411       0.63966846       0.32388187       0.14769154 
O       1.29122232       7.06886242      -5.47442780       0.22387308      -0.30645271       0.41687805 
O       6.45854243       7.92803195      -0.07161084      -0.31393229       0.04494266      -0.61970686 
O       6.48913614       7.09860967      -5.29687226      -0.42928531      -0.33304667      -0.50153968 
O       3.62557032       3.81632132      -6.02774951      -1.27894788       0.59316044       0.38605184 
O       8.62479072       4.63953260      -0.77316154       0.39786945       0.28664618      -0.54352776 
O       8.80400284       3.82188535      -5.94220986      -0.26456147       0.01693057      -0.56541976 
O       3.42768881       9.69512337      -0.95181303      -0.60527531       0.37683942       0.49963979 
O       3.50846473       8.88882671      -6.06202332      -0.24481272       0.01051521      -0.43272831 
O       8.64260114       9.83091021      -0.77237872       0.04488472       0.15263305      -0.77420993 
O       8.61823518       8.86440096      -6.00277923       0.04794213       0.94305056      -0.95496361 
O       0.74774787       0.14453270      -1.78881372       1.06035770       0.29006441       0.27097534 
O       0.78327488      -0.81735755      -7.08859054       0.76776717       0.20466086      -0.12372698 
O       5.99295518       0.00595318      -1.73774811       0.72577026       1.22283834      -0.74777141 
O       6.04499508      -0.92800641      -6.98858265       0.17110971       0.72804304      -0.45904559 
O       0.87290749       5.18443008      -1.78420218       0.52167577       0.16058443      -0.02474622 
O       0.94528296       4.23108648      -7.21392164       0.34626200       0.62205071       0.57051754 
O       5.96203034       5.22236203      -1.81194304       0.43983325      -0.09216396       0.76729512 
O       6.11714383       4.31262568      -7.04080668      -0.29766644      -0.78000433      -0.02882941 
O       1.75401760      -0.36723619      -4.45770362       0.15564274      -0.14583280       0.33636186 
O       1.73250418      -1.29124463      -9.73767077       0.18912114      -0.51812152       0.09037137 
O       7.03201128      -0.26307031      -4.31955855      -0.10236624      -0.95668693      -0.24769013 
O       6.85926297      -1.27754830      -9.68457110       0.10656057       0.28183835      -0.04040143 
O       1.62116936       4.64724407      -4.57215611      -0.14284508       0.68843633       0.63691124 
O       1.73942536       3.84624556      -9.72174916      -0.09722959      -0.15868896       0.66987556 
O       6.90228388       4.74005563      -4.47392408      -0.49290697      -0.02288290       0.90571072 
O       6.86926300       3.80663350      -9.64028047       0.72431883      -0.07723381      -0.53992065 
O       4.30044948       4.17727986      -3.46112722       0.28892542       0.45646976       0.96952447 
O       4.38497287       3.22703074      -8.68518223      -0.93797852       0.04255947      -0.17139199 
O       9.46411356       4.31808562      -3.35608210      -0.30213590      -1.01606990       0.22786375 
O       9.60769684       3.25066735      -8.79877924      -0.50964483       0.31799286       0.41152613 
O       4.40367312       9.30681091      -3.55520154       0.07726597      -0.27835490       0.54807480 
O       4.37383977       8.35167857      -8.77252851      -0.83896842      -0.12995918       0.35042714 
O       9.54026445       9.42850869      -3.43933368       0.09341023      -0.50377219       0.42844074 
O       9.44371076       8.46442627      -8.70037437       0.95931136       0.88834967       0.07944313 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0017778149943155131 -0.0025758980229903007 -0.004452240163408581 -0.0025758980229903007 -0.005319660210585443 -0.00018250065330125683 -0.004452240163408581 -0.00018250065330125683 -0.0071559231804763585" pbc="T T T" energy=-961.07159005 free_energy=-961.07159005 config_type=crystal 
Hf       2.85498863       3.01063740      -4.16435560      -0.59743760      -0.25594706       0.91762218 
Hf       2.83579474       2.11697396      -9.37911811       0.67085795       0.79090340      -0.90340289 
Hf       8.04773795       3.05810665      -4.23077254      -0.71548204      -1.77935966       1.57884423 
Hf       7.97893487       2.04792982      -9.40386495       0.94978371       0.03735196      -0.02751290 
Hf       2.78525666       8.14126611      -4.18903355      -0.39470821       0.09633854       0.12868316 
Hf       2.80177526       7.32707193      -9.45325340      -1.02717277      -0.86632015       0.30538611 
Hf       8.02759886       8.12778282      -4.12725913      -0.32592390       1.01026670      -0.02158658 
Hf       8.11345823       7.27103995      -9.31455043      -0.99996570       0.34074338      -1.80261462 
Hf       0.21573962       0.83429328      -3.73184470      -0.07356925      -0.82339741      -0.29153833 
Hf       0.22765053      -0.04295053      -9.02199742      -0.97904502       0.18599536      -0.32250982 
Hf       5.34633866       0.75623951      -3.65372066       0.79458037       1.06346934      -0.72812791 
Hf       5.38966754      -0.14303483      -8.94105061       0.61561990       0.74095475       0.32450019 
Hf       0.21314755       5.95367756      -3.71728290       0.72035088      -0.21092323      -0.47262983 
Hf       0.19856041       5.02975406      -8.91162031       0.72065737      -0.07723683      -0.50764153 
Hf       5.37082567       5.94846686      -3.73981033       0.72437571      -0.68292548       0.33712891 
Hf       5.46266009       5.05915955      -8.95776261      -0.82758538      -0.40463224      -0.90119736 
Hf       2.35018114       1.29921228      -1.08189680       0.50703076       0.27190533      -0.80172457 
Hf       2.40690373       0.26173680      -6.37120485       0.07689615       0.52463008       1.01215684 
Hf       7.44442942       1.21258100      -1.08416135       1.53373938       0.51924903      -0.34456191 
Hf       7.54824758       0.30044509      -6.28798572      -0.21523029       0.36942788       0.41664867 
Hf       2.33420305       6.34899943      -1.08287073       0.83962113       0.32956597       0.47930810 
Hf       2.41084311       5.40652059      -6.32594072      -0.58760069       1.34840923      -0.31371218 
Hf       7.64363475       6.33361178      -1.00710449      -1.29756472       0.54327427      -0.74845316 
Hf       7.56258879       5.49013139      -6.34562312       0.39066293      -0.91230613       0.46169020 
Hf       4.95982176       3.56515276      -1.49864559      -0.05889138      -0.53031582      -0.79040128 
Hf       4.97327989       2.58519058      -6.78744773       0.64205250      -0.82452034       0.23678785 
Hf      10.24523599       3.46278996      -1.58790130      -2.05706120      -0.62265319       0.12283244 
Hf      10.29760775       2.43762615      -6.83517730      -1.73779906       1.20892874       1.19578106 
Hf       4.85505070       8.56606445      -1.56453351       1.53543686      -0.65147552       0.58898524 
Hf       4.91501434       7.70225370      -6.81532279       0.66923744      -0.36278005       0.99061779 
Hf      10.19798404       8.69056350      -1.57072801      -0.04243394       0.12662320       0.59249847 
Hf      10.22008160       7.80234672      -6.82953848       0.27732829      -1.15690102       1.40013270 
O       1.29509437       2.35053237      -2.82419313      -0.07918036       0.94026535       1.28126362 
O       1.38341604       1.45092461      -7.91597479       0.20625191       0.03029783      -0.93249045 
O       6.42093860       2.34177091      -2.75178362       0.45810044       0.02975746       0.78355810 
O       6.55095943       1.38768500      -7.94817536       0.18568384       0.45124377      -0.17992869 
O       1.37497122       7.56813947      -2.63520550      -0.22448050      -0.41377900      -0.96735438 
O       1.30641003       6.73978566      -7.96497262       0.60838661      -1.29034855      -0.33695647 
O       6.49202963       7.46125835      -2.74568058       0.39600463       0.35224670      -0.57588328 
O       6.44832347       6.64794440      -8.03384102       1.36369134       0.09474709       0.11199806 
O       3.86684024       1.42057055      -5.07452289       0.42740555      -0.53129656      -0.87777390 
O       4.04106533       0.64817569     -10.44282685      -1.03884766      -0.39560345       0.62874934 
O       9.17381495       1.32087241      -5.10068216      -0.54683819       0.82202530      -1.07874446 
O       9.14065900       2.33644705      -0.02707471       0.25032024      -0.09384723       1.70023624 
O       3.91633971       6.62665273      -5.13373065       0.00386205      -0.47221169       0.13155848 
O       3.90490540       5.74127930     -10.40323649      -0.32334442       0.17171249       0.34384558 
O       9.21502421       6.56440474      -5.16162210      -0.85442629       0.10588585       0.25674705 
O       9.11413237       5.68872149     -10.32984507       0.02625916      -0.20133879      -0.17571926 
O       3.78758754       1.90851458      -2.52762196       0.08348578      -0.09802235       0.47968326 
O       3.91374525       0.98868968      -7.85077897      -0.62309537      -0.05985945       1.27252434 
O       8.96964150       1.77239329      -2.43407687       0.91805226       1.21473696      -1.35843935 
O       9.10661354       0.92952923      -7.77539191      -0.46205531      -0.14772791       0.09974737 
O       3.89532773       6.79757443      -2.45033944      -0.57007556       1.49733688      -0.35542545 
O       3.88447039       6.08816131      -7.70422776      -0.22011153      -0.00456512      -0.81805190 
O       9.04792967       7.13711169      -2.46821007       0.36386401      -0.55844494      -0.38605299 
O       9.06936069       6.11557625      -7.79465859      -0.45304578       0.11060303       0.77873217 
O       1.24358750       2.93501685      -0.07597289       0.47915858      -0.58636436      -0.26187386 
O       1.31783623       1.90764467      -5.34113674      -0.23246953      -0.26164426      -0.60724865 
O       6.49213239       2.89781699      -0.05019857      -0.34272060      -0.88886020      -0.66226897 
O       6.39602060       1.90373786      -5.32195626       0.34420759      -0.20307347      -0.56610889 
O       1.22604993       6.24818906     -10.48860331      -0.26005262      -0.61516638      -0.98812057 
O       1.34577148       7.10100815      -5.42681384      -0.40037267      -0.30522582       0.75305675 
O       6.38899749       7.86632433      -0.12271561       0.44638559       0.32920752       0.07836092 
O       6.38155398       6.95585123      -5.45023813       0.95135185       0.29641646       0.70212681 
O       3.53446021       3.73658548      -5.96103804       0.31943095       0.50892002      -0.88985138 
O       8.72135085       4.65287518      -0.83917536       0.10297815       0.20509149       0.37164456 
O       8.74901075       3.68224236      -5.96228939       0.28764757       0.78684495      -1.73642814 
O       3.46131835       9.88221700      -0.85129083       0.05305730      -0.26693091       0.87380938 
O       3.56052509       8.92790794      -6.00213701      -0.90080272       0.54964823       0.21235231 
O       8.73381006       9.82928998      -0.81033886      -0.72570300      -0.02187239       0.76905321 
O       8.65033059       8.88105746      -6.00821538      -0.09445858      -0.10268700      -0.63304340 
O       1.00358228       0.04213608      -1.85311363      -0.75927975      -0.21511414      -0.43281975 
O       0.92085247      -0.86236319      -7.22637648       0.86743751       0.55696233       1.12550764 
O       6.00165810       0.00348009      -1.77223854      -0.14049224      -0.35507557       0.10676585 
O       5.98627422      -0.81938094      -6.98888643       0.35379012      -0.49633331      -0.46688019 
O       1.00412611       5.10839879      -1.93440433      -0.24895583       0.19468188       0.12754131 
O       0.93668146       4.24546398      -7.07705922      -0.09323311      -0.03294649      -0.59715110 
O       6.01667041       5.21286507      -1.81895943       0.91531547       0.07401265       0.61878448 
O       6.12666249       4.26696186      -7.09769717       0.13433351      -0.01668562       0.08269741 
O       1.58227080      -0.51789286      -4.55049508       0.56820717       0.30520273      -0.27973076 
O       1.61785413      -1.25742429      -9.76694588       1.04674731      -0.32614481      -0.22875706 
O       6.85540152      -0.44355998      -4.38219906       0.34740559      -0.28828439      -0.38160532 
O       6.92335893      -1.31665528      -9.61844713      -0.06259710      -0.02080015      -0.22028309 
O       1.69495365       4.72533766      -4.52355216      -0.47646247       0.23180618       0.69711863 
O       1.72960716       3.81787790      -9.79076593      -0.38901724       0.02452498       0.87140662 
O       6.89634489       4.63618535      -4.48934514      -0.84748757       1.55270926      -0.11374939 
O       6.94728425       3.78592007      -9.64118762      -0.00823797       0.30707627      -0.14712102 
O       4.28198458       4.22840092      -3.38867361       0.07635887       0.18545637       0.07307671 
O       4.29627342       3.33953334      -8.63631523      -0.11293209       0.21154356      -0.25832048 
O       9.42201073       4.31633596      -3.41734409       0.76313309      -0.30164340       0.50667066 
O       9.53394725       3.23870084      -8.65576389       0.33569794       0.59431367      -0.18042295 
O       4.27105388       9.33931295      -3.42762836      -0.75025914      -1.01053422       0.39058381 
O       4.12787541       8.54885957      -8.54141378       0.42894635       0.17324265      -1.04791918 
O       9.48868328       9.45191354      -3.54743258      -0.18656976      -1.66280698       1.50938564 
O       9.61010884       8.46450075      -8.63992271      -1.42017959      -0.05205471      -1.13612304 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003656704144811848 -0.0006137224368615628 0.000983554615353928 -0.0006137224368615628 -0.004917214224525526 -0.00378919424437029 0.000983554615353928 -0.00378919424437029 -0.00723928445804469" pbc="T T T" energy=-960.85698593 free_energy=-960.85698593 config_type=crystal 
Hf       2.83061882       2.97700544      -4.21276225       0.52539123       0.38744922       0.42098482 
Hf       2.79384331       2.18645059      -9.46352517       0.80975428      -0.40707420       1.82274235 
Hf       7.95953141       2.93947170      -4.18090158       0.59890781       0.94158286      -0.38109735 
Hf       8.05375248       2.17066805      -9.46836983       0.26421954      -0.19067946       0.50747035 
Hf       2.82303754       8.21143181      -4.12839078      -0.02190146      -0.58173634      -0.21819452 
Hf       2.81681001       7.28634695      -9.33323276       0.55179562       1.00026954       0.22869670 
Hf       8.01144164       8.10997220      -4.24657854      -0.20512942       0.45309337       1.41833169 
Hf       8.06127266       7.20824246      -9.37325910      -0.33857108       0.51829353      -1.48336541 
Hf       0.16497388       0.70876787      -3.65289846       0.42350749       0.74424471      -0.96918901 
Hf       0.22245538      -0.16923020      -8.96292165       0.27010199       0.93684100       0.42173751 
Hf       5.42764386       0.81874546      -3.63862008      -0.77605199      -0.55204213      -1.17566136 
Hf       5.54293478      -0.08876818      -8.98248424      -2.71039826       0.08186950       0.32186128 
Hf       0.18807920       5.84107939      -3.77044128       0.99320361       0.25731849       1.15010874 
Hf       0.32337487       5.01558030      -8.99821716      -1.13454027       0.43105337       1.40234431 
Hf       5.48503694       5.92104355      -3.70215618      -1.13740417      -0.20343167      -0.40182784 
Hf       5.42357564       5.04238562      -8.95016228      -0.66744606      -0.15625299       0.00410606 
Hf       2.25766803       1.29634423      -1.08137838       1.50541852      -0.91801810      -0.23955927 
Hf       2.32168762       0.42288397      -6.37114174       1.49732482      -1.24458342      -0.29883680 
Hf       7.60206484       1.24191070      -1.11616367      -0.10335838      -0.72314519      -0.11913633 
Hf       7.53537484       0.33105296      -6.30685202       0.43820558       0.96276004      -0.21830659 
Hf       2.41124158       6.40084046      -1.05043495       0.10215205       0.07091367      -0.21233940 
Hf       2.39616069       5.50893132      -6.32364455       0.59893980      -0.83039638       0.95359953 
Hf       7.54608630       6.34379148      -1.13368778      -0.06979958       1.27447690       0.17610504 
Hf       7.55587364       5.44886559      -6.45734493       0.05503524      -0.54989229       2.31970631 
Hf       4.88164674       3.44735394      -1.51379857       0.08344607       0.81220810      -0.43243729 
Hf       4.96712094       2.53445833      -6.79483615      -0.90022427       0.43559924       0.11088308 
Hf      10.17221019       3.46717009      -1.53860515       0.63037217       0.35113931      -1.11726391 
Hf      10.17937877       2.59148612      -6.74817953       0.11059953      -0.19416045      -0.82151531 
Hf       4.90761645       8.69940539      -1.50181362       0.08155669      -0.55651987       0.56882364 
Hf       5.01552528       7.74494721      -6.74134953      -1.83444161       0.75212379       0.21515433 
Hf      10.14459123       8.52960543      -1.54604072       0.10856557       0.32399645       0.07706590 
Hf      10.17924473       7.71983308      -6.77299136       0.26091672      -0.04424659       0.87567375 
O       1.36841681       2.34620293      -2.86033153      -1.00112192      -0.45948877       1.52178577 
O       1.41548340       1.38197195      -8.07452522      -1.09920130       0.20663075       0.84774570 
O       6.53750577       2.31461180      -2.76031388       0.09821161       0.46046560       0.39139511 
O       6.56979257       1.52776545      -8.03426871       0.35793189      -0.48377369      -0.15304870 
O       1.33878359       7.46130984      -2.68305194      -0.81141504       0.39606941      -0.18616142 
O       1.27610278       6.55289042      -7.82153011       1.02659083       0.70211763      -1.59163573 
O       6.58915935       7.50630220      -2.83689622      -0.98250429      -0.23956186       0.98318135 
O       6.62424945       6.61603770      -7.97049393      -0.82667534      -0.10882728      -0.16352717 
O       3.95160146       1.35209241      -5.11511133      -0.16916837       0.42507584      -0.11330461 
O       3.90308699       0.79063992     -10.38911110       1.05425234      -1.47003370      -0.61548066 
O       9.11036402       1.37483522      -5.12611972      -0.00365597       0.15530246       0.09773064 
O       9.19453600       2.29524332      -0.02281231      -0.64361755       0.53239122       1.11337005 
O       3.86532294       6.59535627      -5.05966404       0.95887210       0.15583818       0.23792304 
O       3.99484296       5.84741237     -10.34026301      -0.12880099      -0.86456619       0.50448359 
O       9.06034472       6.49982869      -5.08059255       0.09403658       0.67311829      -0.92547026 
O       9.17432137       5.68857398     -10.49946102       0.11077967      -0.08223891       1.51192925 
O       3.83716015       1.82122056      -2.46112407       0.18524759       0.66965976       0.16872687 
O       3.89423820       1.08455074      -7.77521802      -0.16593252      -0.69727997       0.14722695 
O       9.04977519       1.92184663      -2.59341884      -0.03490405      -0.22897570       0.82374108 
O       9.14487372       0.92562375      -7.71270635      -0.54923159       0.61332945      -0.63888255 
O       3.80109170       7.11377767      -2.40711557       0.83400335      -0.27832030      -0.29123669 
O       3.99453831       6.20626560      -7.64305629      -1.07472615      -0.70986180      -0.83013231 
O       8.97783030       6.96259946      -2.52584316       1.19943265       0.36750873      -0.36552830 
O       9.07357136       6.16039812      -7.67454597       0.24334751      -0.54594975      -1.23964358 
O       1.26893462       2.83375107      -0.08924794      -0.81295663       0.15862469      -0.90396590 
O       1.25072490       1.97217983      -5.40467966       0.03273422      -0.92419610       0.01682440 
O       6.46242134       2.77843476      -0.21235533       0.35379374       0.44765978       0.73291552 
O       6.46072200       2.02538688      -5.37094916      -0.09550302      -1.14830827      -0.10542439 
O       1.33271898       6.18601981     -10.47644731      -0.68080308       0.03754147      -0.91994331 
O       1.18446921       6.90395579      -5.28983749       0.04991181       1.12627271      -0.43186472 
O       6.52540159       7.96498369      -0.07186023      -0.33765472      -0.15507783      -0.72644362 
O       6.47733151       7.10240713      -5.38451014      -0.01565583      -0.61388565      -0.30561500 
O       3.44714983       3.71371596      -6.09327747       0.58642255      -0.02752576       0.49820328 
O       8.81202727       4.76051764      -0.80645501      -0.71735922      -0.63158645       0.23896341 
O       8.68299207       3.70484780      -6.06493376      -0.20302973       0.60266875      -0.40738930 
O       3.41759495       9.87453193      -0.71594060       0.51668983       0.05895521      -0.36303193 
O       3.45572432       8.94622191      -6.05889089       0.43470154      -0.38255923       0.89289249 
O       8.74542652       9.88833203      -0.72648329       0.22857074      -0.69460389       0.12995370 
O       8.68848063       8.99634980      -6.03119171       0.67601202      -1.12592216       0.18395046 
O       0.87844801       0.01292034      -1.81435313      -0.02702675       0.10753108       0.26013621 
O       1.03323005      -0.97078069      -7.12148310      -1.04767684       0.12062053      -0.06595500 
O       6.08701167      -0.00282433      -1.82439810       0.67632451       0.67876060       0.15540270 
O       6.06794475      -0.85221725      -7.11135465       1.00038802       0.70565586      -0.07934899 
O       1.04629512       5.10934745      -1.79297363      -0.87215778      -0.24511359      -0.21400901 
O       1.02537769       4.22954898      -7.06428536      -1.49608672      -0.57709893      -0.63668709 
O       6.04297905       5.17957972      -1.78870346       0.04643982      -0.15889093      -0.13311710 
O       6.07450809       4.21704854      -7.06470024       0.50987625       1.05032902      -0.77734866 
O       1.58047390      -0.52285251      -4.47104461      -0.30640074       1.01579539      -0.31080623 
O       1.76917579      -1.24370922      -9.64427825      -0.71180475      -0.31756408      -0.50517590 
O       6.81569490      -0.41146265      -4.47167969       0.44645808      -0.15075143      -0.35286473 
O       6.82676451      -1.34452501      -9.74989461       0.98269499      -0.58930288       0.13313647 
O       1.74151163       4.62053110      -4.43642754      -0.86052133       1.10522556      -0.24490819 
O       1.79001664       3.89695918      -9.57749107       0.05429018       0.15533235      -1.59881881 
O       6.83797180       4.68799324      -4.51273866       0.23678311       0.29312748       0.10409025 
O       6.91231654       3.86406826      -9.69256530       0.45099962      -0.83350159      -0.09249102 
O       4.28220859       4.25406613      -3.39109704      -0.14223058      -0.62624084       0.36573052 
O       4.15320030       3.45418199      -8.60838032       1.21010134       0.20245047      -0.53445979 
O       9.44121886       4.22466365      -3.50268612       0.29142656      -0.42810842       0.88749188 
O       9.53498368       3.33534122      -8.75297537       0.04234596      -0.26469301       0.67538534 
O       4.26528208       9.41360290      -3.35819744      -0.31483611      -0.25938585      -0.06322625 
O       4.17449937       8.57796311      -8.55711100       1.17428726       0.11782609      -0.64893440 
O       9.39451354       9.38814137      -3.28082031      -0.40861997      -0.63599150      -0.69029717 
O       9.43538574       8.47638015      -8.58708639       0.32818219       0.09555708      -0.24449856 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.001977768523683603 0.0008424648272086433 0.0009596401171003781 0.0008424648272086433 -0.007120993997717434 0.002585071481028067 0.0009596401171003781 0.002585071481028067 -0.005378573640462399" pbc="T T T" energy=-961.53570155 free_energy=-961.53570155 config_type=crystal 
Hf       2.85934871       2.96752082      -4.12014457      -0.44351896       0.42945341       1.00495356 
Hf       2.77454136       2.12441758      -9.44695567       0.69040532      -0.39801097       0.29165721 
Hf       7.98121814       3.05008539      -4.19926973      -0.44752341      -0.24141863       0.79290094 
Hf       8.03294487       2.23221422      -9.42259263       0.34103656      -0.72456642      -0.05352964 
Hf       2.84949061       8.15841298      -4.14486232      -1.16271387       0.13984144      -0.50540492 
Hf       2.80791914       7.35018348      -9.36746960       0.21749653      -1.13169267       0.05249735 
Hf       8.03182324       8.04508904      -4.22278989      -1.00791591       1.64131249       0.42472638 
Hf       7.95228459       7.21280387      -9.39520280       1.58765034       0.83293231       0.24209274 
Hf       0.15239747       0.72266820      -3.68951022       0.09622128       0.38678994       0.60387131 
Hf       0.21561130      -0.12498109      -8.95305383       0.11524905       0.44384109       0.62131400 
Hf       5.40191302       0.70704176      -3.75513415       0.90160760       1.52915531       0.06898154 
Hf       5.49347469      -0.10437503      -8.98525041      -0.91626782       0.59201858       0.57308658 
Hf       0.31086298       5.85062517      -3.67009779      -0.28178943       0.63581713      -0.56062649 
Hf       0.34480880       5.08142513      -8.96186403      -0.31829811      -0.14271181       0.03739830 
Hf       5.29338047       5.91623329      -3.75123224       1.37892098      -0.69630564      -0.44231310 
Hf       5.36364764       5.02438179      -8.96835969      -0.82962132       0.21121630      -0.21579879 
Hf       2.33821567       1.23090564      -1.09662660       1.23207124      -0.31113589       0.88820133 
Hf       2.40656698       0.39262187      -6.27964469      -1.28935776      -0.64660007      -0.78751490 
Hf       7.58750711       1.19655114      -1.07603695      -0.40443587       1.21363375      -1.00768759 
Hf       7.62788680       0.38420562      -6.37947375      -1.08724572       0.49253566       0.66563700 
Hf       2.45065290       6.44384056      -1.15676534       0.02800806      -0.44823935       1.17994693 
Hf       2.32276676       5.48654361      -6.25884030       1.29721029       0.16094123      -1.46003779 
Hf       7.55228806       6.36215896      -1.16726792      -0.38962382      -0.23849553       0.19749054 
Hf       7.54132152       5.49769772      -6.41637028      -0.00717057      -0.46348375       0.53366453 
Hf       4.99068364       3.43876009      -1.46989110      -0.62231760      -0.12336842      -0.63059103 
Hf       4.94713386       2.57288731      -6.78139655       0.33255795       0.40162431      -0.04416090 
Hf      10.18380856       3.43939935      -1.55656850      -0.35001987       0.11061936       0.17623956 
Hf      10.14209018       2.60200747      -6.79201968       1.13659207      -0.38177437       0.54828569 
Hf       5.00583695       8.65474027      -1.49904734      -0.48898201      -0.32197222      -0.09511408 
Hf       4.98091136       7.80294805      -6.80325982      -0.36387271      -1.44038458      -0.34435390 
Hf      10.11594300       8.52208998      -1.44159633       1.43508694       1.50037136      -1.41666438 
Hf      10.10315338       7.71773445      -6.74347023       1.43764968       0.51799504      -1.27872775 
O       1.43150824       2.24175561      -2.62779513      -1.29190353       0.96483185      -1.59581474 
O       1.31962409       1.43555429      -7.93696105       0.84079732       0.50651824      -0.41940653 
O       6.57557155       2.37663666      -2.75628533      -0.45594272      -0.36995256      -0.01719535 
O       6.65200287       1.47477723      -7.99616135      -0.33954881      -0.04817403      -0.25820799 
O       1.38434368       7.48022046      -2.69702989      -0.26453833       0.43361200      -0.36784294 
O       1.36652983       6.62136549      -7.92587012      -0.65316310       0.11570063      -0.32730523 
O       6.50054104       7.46438447      -2.77461137       0.79194588       0.25391184      -0.03770214 
O       6.54576293       6.56722908      -8.01558386      -0.24601722       0.64853852      -0.02880586 
O       3.85162656       1.51934578      -5.09581230       0.68935595      -1.71135781      -0.25218458 
O       3.90564591       0.53361364     -10.38619730       0.22607221       0.61052074       0.50368987 
O       9.04184033       1.46651078      -5.07807818       0.46831289      -0.54517418      -0.25319964 
O       9.00227679       0.57995715     -10.35170109       0.79906219       0.24884038      -0.18595222 
O       3.85181909       6.49481398      -5.22552666       0.84817885       1.01152946       1.53503584 
O       3.88873882       5.74102798     -10.37542034       1.11043805      -0.66641528      -0.41431055 
O       9.13528192       6.57209484      -5.18078703      -0.07901417      -0.11563910       0.30727808 
O       9.19898149       5.78130799     -10.37780743      -0.62426172      -0.77872186       0.25164264 
O       3.91882559       1.87626626      -2.42097172      -0.10807087      -0.17931634      -0.55695394 
O       3.93967091       0.96711597      -7.69620342      -0.31402438      -0.19561407       0.02494742 
O       9.00992623       1.88059588      -2.52211525       1.00148975       0.30389267       0.52795047 
O       9.17556551       0.99383628      -7.65485149      -0.47919404       0.00154515      -0.95075496 
O       3.88589147       7.04630730      -2.58134505       0.23984100      -0.20245438       0.42610525 
O       3.79837848       6.13401788      -7.78662312       0.68446461       0.19092961       0.06984603 
O       9.14967071       6.91234968      -2.51829156      -0.93074650       0.52928754       0.10435580 
O       9.04508720       6.07596840      -7.78863388       0.25621161       0.61028962      -0.00209757 
O       1.18224891       2.81970560      -0.13112931       0.26267070      -0.00722333       0.49879662 
O       1.17644094       1.91999461      -5.29423850       0.31055296      -0.10698542      -0.30466701 
O       6.41664284       2.79411957      -0.10025959       0.30238626       0.16023754       0.04792303 
O       6.38310266       1.90695910      -5.38509313       0.09404068       0.40602857      -0.22164785 
O       1.32341613       7.96359793      -0.05914349      -0.65503920       0.09466589      -0.42879691 
O       1.24920834       7.08710144      -5.35814989      -0.11494982      -0.50300802       0.74489314 
O       6.52919893       8.04687646      -0.05951448      -0.73595039      -0.90081634      -1.17261230 
O       6.43500312       7.08483172      -5.44566691      -0.03570528      -0.08214150       0.46479610 
O       3.57618711       3.79012846      -5.96117181      -0.35834501       0.22510697      -0.56989636 
O       8.79562203       4.82164215      -0.83771378      -0.10551283      -1.06743077       0.46009990 
O       8.66024324       3.71836574      -6.08286351      -0.59997413       0.98082639      -0.16353529 
O       3.49087282       9.76086458      -0.77128277      -0.09929335       0.80933366      -0.41105489 
O       3.54147044       8.92401871      -5.96700069      -0.22154582       0.62319992      -0.05676693 
O       8.67742598       9.86279261      -0.90939854       0.17251397      -1.23667838       1.05732810 
O       8.55821958       8.92056535      -6.14232591       1.42789288      -1.40061302       0.57399389 
O       0.89143754       0.01348565      -1.71299025      -1.12880389      -1.00158440      -0.80768984 
O       0.97109048      -0.91037326      -7.07298100      -0.31775597       0.11348695       0.34855880 
O       6.08573148       0.00286390      -1.94463935       0.64878925       0.19391661       1.23387517 
O       6.11850850      -0.89333644      -7.05659862       0.05870733       0.96915131      -0.98409939 
O       1.07934561       5.12454466      -1.91848523      -0.56842797      -0.75039147       0.48757123 
O       0.89293478       4.32578914      -7.06273778      -0.33945917      -0.86287523      -0.48023026 
O       6.08926823       5.13784306      -1.92185487       0.47762103       0.43841344       0.76021882 
O       6.08084949       4.33301693      -7.16704041      -0.31897387      -1.18000225       0.38778467 
O       1.61757848      -0.44339733      -4.44563236       0.83727211      -0.36045985       0.06881956 
O       1.72690288      -1.26452258      -9.64989565       0.24922408       0.22801830      -0.36956727 
O       6.87082435      -0.38170374      -4.56958536       0.30938845      -1.18955175       0.92176803 
O       6.95602695      -1.31010076      -9.67573129      -0.01393294      -0.18099591      -0.17464461 
O       1.73700515       4.61663537      -4.47057870      -0.85763887       0.98209984       0.21099704 
O       1.83766436       3.85634591      -9.81843907      -0.87721199      -0.02839159       0.63173286 
O       6.85617216       4.75931169      -4.56087680       0.03708242      -0.04090231       0.43128166 
O       6.82329831       3.80614821      -9.75764561       0.35004086       0.45089787      -0.69655106 
O       4.33047422       4.17170988      -3.38606411      -0.34465353       0.28433339       0.09467677 
O       4.27494287       3.26835198      -8.69788856       0.22939208       0.32999803       0.07528725 
O       9.55684310       4.18283304      -3.40980834      -0.34418953       0.03282647      -0.46151584 
O       9.54958496       3.37249179      -8.71541698      -0.09683981      -0.25611342       0.11179201 
O       4.28388621       9.35703540      -3.37260551      -0.35454283      -0.12949969      -0.31540126 
O       4.37454777       8.46958503      -8.73143247       0.17365984       0.17453106       0.46885906 
O       9.42242593       9.31747767      -3.38150780       0.08051702      -0.35767818      -0.40706716 
O       9.61234847       8.45598764      -8.68179474      -1.44822566      -1.03859060      -0.15634290 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0002607171173122139 -0.00296709106117547 -0.0027117468596131447 -0.00296709106117547 0.0003118591692784237 0.001935208602939065 -0.0027117468596131447 0.001935208602939065 0.004504073643514248" pbc="T T T" energy=-962.19989417 free_energy=-962.19989417 config_type=crystal 
Hf       2.77449710       3.03628320      -4.11068974       0.66626607       0.03822517       0.08653306 
Hf       2.85073017       2.05750407      -9.41136100      -1.03160582       0.50265433      -0.01319381 
Hf       7.97058024       3.07377339      -4.14183216       0.40114411      -0.01435808      -0.72653923 
Hf       7.98215908       2.11589440      -9.45025380       0.22184317      -0.89891682       1.00475100 
Hf       2.75201946       8.14444486      -4.14419049       1.47797479       0.28240043      -0.39132395 
Hf       2.79947817       7.23641704      -9.46831229       0.53971087       0.25160476       0.46679315 
Hf       8.01162783       8.18376450      -4.16971132      -0.34753279      -0.43981055      -0.11026945 
Hf       8.10206859       7.28273363      -9.39638412      -1.66212994       0.30501789      -0.08648627 
Hf       0.17015064       0.79045138      -3.78433659       1.07567423       1.15520553       0.91453775 
Hf       0.19854804      -0.04418345      -8.93804345       0.50556205       0.16213587      -0.58291693 
Hf       5.49927840       0.80401566      -3.65733076      -1.69785514       0.26054824      -0.88847755 
Hf       5.41577835      -0.08924906      -8.93384133      -0.01219103      -1.63639010       0.20759776 
Hf       0.10792753       5.97637528      -3.69666343       1.39618275      -0.34731923      -0.57376995 
Hf       0.23997945       4.98605423      -8.98905383       0.04567044       0.25388137       0.67024245 
Hf       5.43022969       5.95015852      -3.64851226      -0.75927283       0.07013161      -0.73831228 
Hf       5.39669065       4.97261163      -9.04085395      -0.94542712       1.40583553       0.74840714 
Hf       2.40216638       1.22659457      -1.06835073      -0.11617491       0.61087234       0.12244680 
Hf       2.34283665       0.28781194      -6.38112906       1.34359394       0.09937979       1.42647606 
Hf       7.59515228       1.25007361      -1.09586058      -0.61736065      -0.57395373       0.67929305 
Hf       7.54273429       0.36848047      -6.26364999       0.17143671      -0.00889880      -1.22832152 
Hf       2.35129622       6.26817992      -1.06772174       0.94915939       0.59559476      -0.30080185 
Hf       2.46606992       5.46315943      -6.29807647      -1.38993465       0.58548101      -0.16676500 
Hf       7.60959864       6.37762907      -1.03151867      -0.82599806       0.87011941      -0.78174682 
Hf       7.53525535       5.47005673      -6.40267259       0.06770380       0.27116000       1.03160431 
Hf       4.95937072       3.49411036      -1.51066393      -0.65730641      -0.06814613       0.16517683 
Hf       4.93911868       2.53660384      -6.80119583       0.27131344       0.41136276       1.33998344 
Hf      10.17172933       3.43765757      -1.54153796       0.75149224      -0.03067994       0.40641624 
Hf      10.20443953       2.57755574      -6.79958378      -0.93392595       0.29127868       0.12754978 
Hf       4.98389202       8.55742795      -1.62039567      -0.16204675       0.72541672       1.00260928 
Hf       4.98673283       7.63749257      -6.81782161      -0.43449835       0.94591549       0.26351785 
Hf      10.24892278       8.66350782      -1.57997094      -0.61173097      -0.37509072       0.54613695 
Hf      10.21962079       7.75812481      -6.81061160      -0.80984656      -1.19261460       0.42838962 
O       1.40669435       2.31770646      -2.66132161      -1.44293843       0.53631513      -0.32781397 
O       1.37208895       1.47778512      -7.96347240      -0.41233278       0.06348361       0.45918027 
O       6.53124146       2.45337334      -2.70736384       0.32872348      -0.27309395       0.16181607 
O       6.44340346       1.43576554      -7.92814455       0.74388969       0.93425932      -0.45444541 
O       1.31333433       7.51047953      -2.78114420      -0.48120912       0.09048634       0.57427455 
O       1.30902371       6.62161011      -8.02999718      -0.39129459       0.13716532       0.15118603 
O       6.54979260       7.56781386      -2.69448487       0.33231079      -0.73751482      -0.38197256 
O       6.57121022       6.59211707      -7.96387888      -0.31810826       0.05187954      -0.77657103 
O       4.02179777       1.46155882      -5.12713544      -0.89298673       0.14376910      -0.16471926 
O       3.93509939       0.57619131     -10.34195445       0.37485361      -0.04777535      -0.57381225 
O       9.14630301       1.51870218      -5.18712266      -0.32337441      -0.51267355       0.58524946 
O       9.21334971       0.53223874     -10.36229282      -1.36641502       0.20191961      -0.82097564 
O       3.92355411       6.49116884      -5.14121652       0.33269275       0.48624563       0.15793519 
O       3.95769599       5.61024719     -10.47375853      -0.25668611       0.26753892       0.46428170 
O       9.10633695       6.57294537      -5.13345228       0.10111591       0.62751554      -0.28046145 
O       9.16527143       5.78457153     -10.38107658       0.24916292      -1.10411687      -0.23446597 
O       3.83842102       1.92292052      -2.48448640       0.61108508      -0.21504760       0.13633179 
O       3.83619479       0.95033053      -7.73418656      -0.12926525      -0.15380164       0.02006178 
O       9.06121293       1.91681000      -2.49946191       0.02989424      -0.14718840      -0.40348009 
O       9.01355837       1.01345984      -7.78230476      -0.24637144      -0.04326568       0.21157161 
O       3.84934070       7.02258655      -2.49472489      -0.50561366      -0.21932973      -0.46160967 
O       3.79332849       6.13128218      -7.86550331       0.47911729      -0.52494532       0.57390237 
O       9.04178963       7.04022217      -2.49442363       0.13314452       0.26736005      -0.05996067 
O       9.05538897       6.04416525      -7.76293653       0.34268687       0.98184613      -0.32950948 
O       1.26114751       2.81339723      -0.03524332      -0.10734908       0.19565749      -0.76340956 
O       1.17950857       2.07339611      -5.27175654       0.89333968      -1.07805426      -0.64932389 
O       6.42142009       2.78550898      -0.07110786       0.56622658       0.30036930      -0.19448000 
O       6.51991406       1.97232738      -5.33453649      -0.42830324      -0.00786830       0.03688780 
O       1.34298522       7.90863892      -0.16009979      -0.83877934       0.20451141       0.01902621 
O       1.30383936       7.17093535      -5.35755314      -0.86486919      -0.51334236      -0.57969877 
O       6.39470695       7.93990509      -0.11641883       0.96165310      -0.10022424       0.13858828 
O       6.43358536       7.08737599      -5.35650382       0.40279925      -0.10596353       0.33841596 
O       3.48531889       3.82585835      -5.93695253       0.39930518      -1.06918336      -0.79360905 
O       8.64600552       4.59554643      -0.79415368      -0.44815506       0.55268826      -0.44462407 
O       8.67556072       3.82988503      -6.10346724      -0.17511474      -0.59605052       0.15374103 
O       3.48676761       9.83944421      -0.83588342       0.58805647      -0.82800588       0.06600501 
O       3.42751301       8.82877129      -6.03611575      -0.30199721       0.63729130      -0.57213181 
O       8.65087691       9.80378139      -0.81982267       0.67545505       0.02778025      -0.13514482 
O       8.65552916       8.96862039      -6.03391777       0.69073543      -0.87878753       0.11657665 
O       0.94829033       0.02406347      -1.85422144      -0.50439772      -0.08161499       0.16163512 
O       0.75566849      -0.76766917      -7.04141561       0.69183675      -0.09378584       0.57115544 
O       6.12705295       0.05726311      -1.87476825       0.00476775      -0.11467177       0.73271500 
O       6.06747438      -0.83234029      -7.02856898      -0.27355623      -0.64500063      -0.06848103 
O       0.80682220       5.20022147      -1.76610977      -0.04239451      -0.18979364      -0.13056647 
O       0.87268628       4.26237190      -7.04900270       0.39666529       0.65065583      -0.52328498 
O       5.92608148       5.27784642      -1.67152649       0.86173230       0.17711890      -0.29733818 
O       5.90904036       4.37433292      -6.98317170       0.43400040      -0.53125252      -0.71961098 
O       1.75451519      -0.33412401      -4.39194392      -0.13182867      -0.01619570      -0.69000534 
O       1.77725902      -1.26142210      -9.62197249      -0.55331066      -0.15941596      -0.13495316 
O       6.91877473      -0.39445653      -4.38936214       0.56715839       0.07258403      -0.51350754 
O       6.87415912      -1.34531258      -9.72873036       0.04795414       0.32154948       0.17717179 
O       1.70673521       4.79748485      -4.38512809      -0.24137337       0.08592223       0.11196393 
O       1.75966109       3.83722677      -9.68084171       0.33650445      -0.51068492      -0.17536162 
O       6.87531130       4.75336365      -4.38030780       0.29801201       0.11456044      -0.26293835 
O       6.86067729       3.84012678      -9.73136339       1.09166264      -0.91464200       0.65096091 
O       4.32047823       4.23279791      -3.36207027      -0.15546638       0.11367440       0.17160999 
O       4.29216696       3.25143418      -8.67492358       0.42169838       0.47932259      -0.06782255 
O       9.44752556       4.28875290      -3.43495641       0.15396162      -0.71774979       0.56760530 
O       9.54470391       3.21503552      -8.80822126       0.40792824       1.04977745       0.44575309 
O       4.43541755       9.29148584      -3.53145741      -0.64295760       0.09267764       0.47375252 
O       4.25891355       8.44048693      -8.60139186       0.51725085       0.58843638      -0.71109267 
O       9.47752888       9.43631342      -3.42408357      -0.09379006      -0.85524977      -0.01518804 
O       9.45706198       8.56916844      -8.66662496       0.21710146      -1.04740642       0.31888549 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002018785087742057 -0.002320153771900552 0.0032485388205210296 -0.002320153771900552 -0.00420621917865399 0.002239153345159086 0.0032485388205210296 0.002239153345159086 -0.0025567213482085537" pbc="T T T" energy=-961.34290203 free_energy=-961.34290203 config_type=crystal 
Hf       2.83926968       2.99687813      -4.08900624      -0.14640186       1.19464555      -0.97529657 
Hf       2.79373722       2.15512263      -9.43690756       0.67233952      -1.26915961       1.13295038 
Hf       7.92882456       3.02914418      -4.20370413       0.44676691      -0.40949456       0.37587666 
Hf       8.02323348       2.16586005      -9.45591750      -0.33216626      -1.41419027       1.90582562 
Hf       2.87358082       8.17400393      -4.22322703      -0.79645772      -0.57512171       0.56216187 
Hf       2.78311501       7.17604928      -9.46190546      -0.48160365       2.44573418       0.11519794 
Hf       8.04308621       8.17472250      -4.14462742      -0.12458828       0.11576191      -0.61116175 
Hf       7.99234646       7.19371799      -9.40326368       0.61175615       1.13379352       0.66788533 
Hf       0.20033164       0.80007135      -3.76077370      -0.12862624       0.65530738       0.11547321 
Hf       0.27797509      -0.09694164      -8.99266330      -0.85762576      -0.39859606       0.54204504 
Hf       5.38188915       0.74075275      -3.69739858       0.88218412       1.09815049       0.68166140 
Hf       5.44840408      -0.17475275      -8.89859223      -0.61772924       1.04198117      -0.12269859 
Hf       0.24571323       5.93028480      -3.65719121      -0.03956263      -0.71924159      -1.28994889 
Hf       0.28690909       4.94946924      -8.98655836      -0.80463163       0.80858254       0.40965080 
Hf       5.46758675       5.95098948      -3.69479275      -1.11612300      -0.79444023      -0.43598599 
Hf       5.31231906       4.98367444      -9.00487768       1.45253149      -1.09716290       0.65457032 
Hf       2.35691156       1.25696848      -1.15115551       1.50882139       0.57669898       1.40933811 
Hf       2.37864816       0.36466138      -6.25893102      -0.00120898       0.40267212      -2.57373816 
Hf       7.56444917       1.28203685      -1.11854720      -0.58346466      -0.58055458       0.84163620 
Hf       7.53801106       0.36206232      -6.32729004      -0.01034656       0.03698047      -0.36119179 
Hf       2.47983467       6.33284610      -1.12104497      -1.26845536       0.06299181      -0.78776286 
Hf       2.37415820       5.47385506      -6.41629300      -1.35470004      -0.40719443       1.53811939 
Hf       7.62442476       6.41136282      -1.08268781       0.06663177      -0.99630424      -0.08498425 
Hf       7.55307907       5.52093584      -6.34966878       0.70740017      -1.30506078      -0.98155939 
Hf       4.98653791       3.60074434      -1.38014155      -0.61659677      -1.34527242      -1.02201829 
Hf       4.93634073       2.59013008      -6.77715505       1.14231504      -0.74949358       0.60386814 
Hf      10.09784383       3.38911717      -1.55130098       0.83306290       0.96749923       0.29310846 
Hf      10.14545487       2.52474367      -6.77194666       0.28585216      -0.11555968      -0.48174501 
Hf       5.00874031       8.59943466      -1.46951067      -0.44967134       0.92183109      -0.75737119 
Hf       4.93385101       7.62941198      -6.81735801       0.60517233       1.41892748      -0.04408371 
Hf      10.14840883       8.68228388      -1.52232945       0.12376252      -0.37981097       0.42049858 
Hf      10.14957275       7.79276030      -6.77887956       0.14326869      -1.24466874      -0.83531388 
O       1.26137527       2.38117228      -2.81342909       0.25487305      -0.27963281       0.57840401 
O       1.28606313       1.45614060      -7.97992766       0.53117747       0.09337031      -0.36249752 
O       6.53761673       2.36925781      -2.67903599      -0.09122541      -0.29625243      -0.62180036 
O       6.52098624       1.45202320      -7.91728463       0.23209455      -0.23734266      -0.67615661 
O       1.41359465       7.39258391      -2.79841661      -0.14112571       1.24960107      -0.05365585 
O       1.24513326       6.64190738      -8.11610050       0.59517066      -0.72249148       0.70269779 
O       6.58670641       7.42467300      -2.82292781      -0.08162736       0.73669636       0.91736184 
O       6.45280574       6.47638386      -8.06425848       0.10526076       0.82785798       0.40488499 
O       3.94865488       1.34977274      -5.15264063      -0.01627261       0.70559143       1.20063133 
O       3.97884190       0.66970843     -10.38199643      -0.19701227      -0.05833874       0.34841287 
O       9.18594998       1.46867666      -5.15759470      -0.32291116      -0.52733949       0.39618687 
O       9.14925209       0.48426160     -10.37161198      -0.05001238       0.32797827      -0.65637294 
O       4.01272424       6.61603695      -5.12884567      -0.54120924      -0.18834922      -0.40581988 
O       3.89663721       5.73125746     -10.42163488       0.73993010      -0.63641085      -0.09817586 
O       9.15572212       6.58058966      -5.19746605      -0.22436950      -0.21051010       1.27920435 
O       9.11173065       5.71305619     -10.39069228       0.45358697      -0.61841501      -0.17341626 
O       3.84585236       1.94470368      -2.47839144      -0.20187988      -0.54665077      -0.12032326 
O       3.90049711       1.03100494      -7.68411484      -1.30653924      -1.04264782      -0.41538655 
O       9.04354424       1.86123632      -2.51606040       0.03814216      -0.51596943      -0.03179555 
O       8.98195057       0.96006579      -7.75961268       0.56946592       0.08871744       0.05088722 
O       3.88860905       7.04405012      -2.51090188       0.39576967      -0.25111545       0.28632809 
O       3.76971706       6.10583130      -7.81991565       0.37683767      -0.37325601       0.00287845 
O       9.05905518       7.11696204      -2.49631184       0.35939781      -0.25674975      -0.07813120 
O       9.01305070       6.12040164      -7.78726681      -0.05460514      -0.18444854       0.23006040 
O       1.30163943       2.99164349      -0.15666096      -0.26038773      -1.17977537      -0.19816865 
O       1.29698374       1.97187529      -5.39922660      -0.06968344      -0.36247419       0.71384276 
O       6.49532491       2.80913453      -0.09233952       0.25416609      -0.04140031       0.21473083 
O       6.51000349       1.93505771      -5.37468905      -0.85839015      -0.07610976       0.42955801 
O       1.24802800       7.88398228      -0.13053939       0.08097316       0.33976773      -0.73147907 
O       1.27026396       7.08139648      -5.43603273       0.50390438      -0.13432994       0.15688416 
O       6.50370406       7.88374064      -0.14100742      -0.71287973       0.13079240      -0.22207170 
O       6.48243346       7.02563197      -5.46715090      -0.26286059       0.71500418       0.69598687 
O       3.46003556       3.77171919      -6.01023548       0.46147771      -0.05514206       0.20338082 
O       8.76029544       4.67228534      -0.70933415      -0.44758271       0.80373038      -0.55324777 
O       8.64072954       3.69988785      -6.14632180      -0.45172933       0.99455848       0.98505568 
O       3.58781635       9.90267215      -0.79932312      -0.64602933      -0.70744945       0.12698035 
O       3.38683542       8.90172888      -6.10078486       0.89660327      -0.92593419       0.11811801 
O       8.68563297       9.86465193      -0.76482922       0.40879012      -0.64233368      -0.19043675 
O       8.63507878       8.87015186      -6.01000405      -0.21913018       0.99098311      -0.14149689 
O       1.03816399      -0.02414302      -1.80312223      -1.34283129      -0.28772677      -0.96673885 
O       0.90582249      -0.87995730      -7.17589356       0.33853813       0.49978715       1.12924860 
O       6.02353652       0.03825965      -1.69315192       0.60228261       0.28896498      -0.80972652 
O       5.94843360      -0.80749593      -6.92685559       0.18929157      -0.87736100      -0.38427814 
O       0.87672686       5.18508525      -1.85207397       0.45605399      -0.54653125       0.81087848 
O       0.99438240       4.17024551      -7.08966086      -0.36251088       1.02439974      -0.72081386 
O       6.12686406       5.15798111      -1.83241698       0.73568513       1.03508395       0.69599745 
O       6.08125451       4.25860429      -7.04873987      -0.41693101       0.49556484      -0.37389306 
O       1.67908767      -0.38208048      -4.47162970       0.21160111      -0.72618901       0.59760753 
O       1.77244988      -1.23577176      -9.71074591       0.17031298      -0.35408942      -0.50464336 
O       6.94908665      -0.33678483      -4.34676273       0.18909238      -0.60354034      -0.24475032 
O       6.85420476      -1.38765918      -9.62764491       0.62163274       0.33018080      -0.32897320 
O       1.72088191       4.76390070      -4.48637641      -0.15482320      -0.27412583       0.56871094 
O       1.94481781       3.95996381      -9.66415733      -0.40861890      -0.34202821      -0.11807944 
O       6.83525141       4.71349973      -4.43086864       0.55375596      -0.03426148      -0.60877293 
O       6.84487261       3.76859722      -9.67341433       0.11185072       0.83256660      -0.66319859 
O       4.31869256       4.20160133      -3.28159484      -0.39641285       0.69355563      -0.42859514 
O       4.41280878       3.16507460      -8.65382948      -0.55153915       1.63355523      -1.05623185 
O       9.32606270       4.20193247      -3.28936474       0.80531034       1.15127814      -0.82284056 
O       9.56336509       3.26305452      -8.66180908       0.09400594       0.48167715      -0.56930318 
O       4.41575890       9.29699998      -3.41582024      -0.78464478      -0.22683794      -0.37563619 
O       4.40032682       8.34827599      -8.73902965      -0.77848384      -0.08879097       0.51139053 
O       9.42038673       9.46856291      -3.37619702       0.66310748      -0.53815793       0.19902760 
O       9.51040295       8.42183599      -8.64714333      -0.30888156       0.46183732      -0.66517143 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0030354355985869096 0.004993375596758678 -0.003532636581086729 0.004993375596758678 -0.002924612760645771 0.002206952906499433 -0.003532636581086729 0.002206952906499433 -0.006313377638071699" pbc="T T T" energy=-961.10945085 free_energy=-961.10945085 config_type=crystal 
Hf       2.79101455       2.94451925      -4.26028464      -0.06350192       1.03793187       1.26750166 
Hf       2.77812196       2.17972953      -9.40043871       0.82639691      -0.47620819       0.33940102 
Hf       8.06979821       3.03940841      -4.09560796      -0.53638566       0.57756639      -0.78002434 
Hf       7.98428598       2.09472576      -9.45903334       0.69973908       0.42557793       0.59695173 
Hf       2.77053382       8.21847797      -4.07239788       0.10368927      -0.68778952      -2.00731481 
Hf       2.91876115       7.24946049      -9.35223336      -0.71858516       0.72887791       0.09255982 
Hf       7.98017942       8.14759283      -4.20975163       0.25212846      -0.19409108       1.02809236 
Hf       7.99608696       7.25325778      -9.45143669       0.72798214      -0.20787883       0.34377062 
Hf       0.19893072       0.76837006      -3.68413602       0.13237287      -0.17423133      -0.34998911 
Hf       0.19088614      -0.09743533      -8.89936875       0.42042748       0.33913283      -0.10533015 
Hf       5.45079188       0.79857506      -3.73481458      -0.83869599       0.02102074      -0.34464994 
Hf       5.35738811      -0.03003765      -8.99708751       0.58603175      -0.22643523       0.42454788 
Hf       0.14271465       6.00022629      -3.78166703       0.83381197      -0.91217754       0.13777124 
Hf       0.25217755       5.03894575      -8.95650453      -0.86475331      -0.03330259      -0.06304561 
Hf       5.37504767       5.93351943      -3.72862742      -0.18017140      -0.16096826      -0.35159131 
Hf       5.43455517       5.05363164      -9.01176932       0.29021758      -0.46160908       0.81016260 
Hf       2.32568228       1.19577239      -1.05441194       0.44554419       0.56195576       0.29355027 
Hf       2.33216322       0.29551302      -6.32951123       0.36034160       0.03047846      -0.94063680 
Hf       7.63089822       1.18135325      -1.15124539      -0.45412799       0.30885211       0.97900950 
Hf       7.60190525       0.31223951      -6.25737536       0.23579649       0.91687499      -1.75690528 
Hf       2.41001563       6.35514189      -0.99911911       0.24116954      -0.35982902      -0.98857824 
Hf       2.45668093       5.52048912      -6.34934935      -0.87403388       0.28401447       0.62163525 
Hf       7.53618165       6.27810258      -1.11138465      -0.07052847       1.64449151      -0.24808133 
Hf       7.52053656       5.41038273      -6.32518205       0.56003799       0.31679908      -0.80081390 
Hf       4.96614665       3.46550937      -1.54221619      -1.30995190      -0.13163392      -0.61686978 
Hf       4.99098329       2.57097030      -6.77244281      -0.53705790      -0.83745210      -1.80929311 
Hf      10.23199428       3.49202686      -1.50917043      -0.20023797       0.52262979       0.48600061 
Hf      10.23182503       2.62099347      -6.78721241      -1.08192460       0.05826531      -0.20022296 
Hf       4.97332416       8.62371054      -1.54829666       0.57736777      -0.45385362       0.25622753 
Hf       4.98411198       7.78926759      -6.73272571      -0.37618736       0.25626415      -1.26464983 
Hf      10.13940200       8.49499463      -1.57782210       0.61146060       1.03308160       0.54609351 
Hf      10.18027410       7.63496316      -6.81672063      -0.47702246       0.87955283       0.10889541 
O       1.32287428       2.35849956      -2.69566870      -0.06170837       0.12444543      -0.06731843 
O       1.35868661       1.56068266      -7.92577897      -0.33830137      -0.26374577      -0.01931349 
O       6.53085068       2.29620712      -2.82065507       0.37812920       0.50744214       0.24740922 
O       6.49366329       1.57035704      -8.12025443      -0.37967225      -0.57037165       0.58158448 
O       1.28930106       7.55058451      -2.85261528      -0.16645416      -0.49860798       0.68924347 
O       1.48570080       6.62795145      -7.86681525      -0.61425084       0.24512330      -1.79235171 
O       6.50755896       7.50970777      -2.67515266       0.15015557      -0.11565317      -1.20231550 
O       6.61684959       6.59137088      -7.96356060      -0.05852284       0.21963956      -0.56103815 
O       3.81934319       1.27628106      -5.16041600       1.06181962       1.36751378       0.56018047 
O       3.95857262       0.72471493     -10.37475008      -0.29432887      -0.55478587      -0.87737142 
O       9.12120255       1.51707189      -5.13596707       0.04823400      -0.56213506       0.49545423 
O       9.26319320       0.58994560     -10.42444704      -1.39276531      -0.07989111       0.20175094 
O       3.88937668       6.68289277      -5.15618552      -0.26995504      -0.64414907       0.82470998 
O       3.97931331       5.69851349     -10.34504624      -0.40186476       0.34377720      -0.65767835 
O       8.98919988       6.57254435      -5.09508010       0.91572932       0.07492198      -0.96126032 
O       9.13074146       5.75391945     -10.45058142       0.11121210      -0.63775638       0.19855369 
O       3.85627331       1.89302853      -2.56380530      -0.06633582      -0.32763750       0.50988896 
O       3.86910231       0.89816459      -7.77995095      -0.02764990       1.01821471       0.20910953 
O       9.07132560       1.92289925      -2.43531447       0.31244575      -0.05579575      -1.10083854 
O       9.01126616       1.02562857      -7.82000711       0.05718404      -0.14726520       0.62449088 
O       3.88387991       6.95560410      -2.44651135      -0.34205778       0.68839799      -0.01401215 
O       3.99707136       6.22229863      -7.77032348      -0.42443160      -0.69992134       0.16562853 
O       9.06690089       7.03878014      -2.55994959      -0.64941811      -0.31757323       0.09518883 
O       9.12941234       5.96848569      -7.78669201      -0.25326693       1.49854007       0.45499111 
O       1.27147224       2.91375547      -0.04314932       0.30436002      -0.91665275      -0.45008038 
O       1.25454354       1.87627191      -5.30295923      -0.23804535       0.48757870      -0.22107166 
O       6.40183168       2.81119213      -0.21975299       1.36855539      -0.48571924       0.42282669 
O       6.40669206       2.00601783      -5.42972408       0.41620053      -1.08691207       0.96754513 
O       1.28761523       7.86139773      -0.12402986      -0.38888196       1.33947981       0.14179871 
O       1.18764418       7.04879736      -5.46018250       0.22525297       0.06972794       1.27564856 
O       6.45357587       7.90721582      -0.11625870      -0.04465007       0.97063303      -0.27659101 
O       6.34902290       7.04570524      -5.43761790       1.20860365      -0.00145160       1.42496637 
O       3.53923413       3.81179937      -6.06518011      -0.23623225      -0.70274139       0.12457458 
O       8.67324805       4.74034090      -0.74039121       0.96978582      -1.48591396      -0.74416341 
O       8.73536092       3.82902270      -5.93282559       0.19482691      -0.40946352      -0.63549800 
O       3.56219783       9.86595654      -0.72095851       0.09047503      -0.03036014      -0.50381868 
O       3.43971246       8.88948583      -6.12724886      -0.63754583       0.31852473       0.98154040 
O       8.81517594       9.86825704      -0.80457078      -0.23799846      -0.20435019      -0.07100380 
O       8.74410498       8.96800609      -6.03449330      -0.31384912      -0.89496219       0.14427284 
O       0.99076627      -0.06481772      -1.90946365       0.01013108       0.23963631       0.51017011 
O       0.71253318      -0.72111542      -6.97607541       0.16001635      -0.99422916      -0.60988732 
O       6.20223734      -0.00955997      -1.92764962      -0.78108004      -0.52101665       0.17307722 
O       6.07944410      -0.76358051      -7.03215325       0.05476647      -0.11583408      -0.38626425 
O       0.82985073       5.27382430      -1.64101567       0.22640541       0.08774316      -1.06258009 
O       0.84092658       4.36933730      -7.04305717       0.55771354      -0.58343312      -0.23255664 
O       6.06853689       5.10942783      -1.93796760       0.32316242       0.16324419       0.72357825 
O       6.06929642       4.22134292      -7.11814202       0.41408224       0.59694573       0.11122903 
O       1.56560913      -0.50592389      -4.53778182       0.41729842       0.29847368       0.66890776 
O       1.79560226      -1.26353360      -9.58610060      -0.63875206       0.20279853      -0.85486074 
O       6.93306482      -0.44695156      -4.45901315      -0.93371995       0.98961945      -0.02850803 
O       6.96762543      -1.33340029      -9.75273712      -0.86499767       0.85606107       0.17790550 
O       1.58513104       4.74364632      -4.55253577       0.75662453      -0.69669495       0.74278312 
O       1.85199049       3.95889749      -9.60872999      -0.09557699      -0.72092119       0.31702021 
O       6.94020191       4.78884653      -4.46005102      -0.68095504      -0.35005290       0.52475353 
O       6.92397113       3.88465494      -9.76532081      -0.09317380      -0.79604335       0.51801257 
O       4.27161153       4.20709604      -3.51091323      -0.01543661       0.04280514       0.33681114 
O       4.32889177       3.33360793      -8.79260510       0.19577382      -0.12217964       0.74484527 
O       9.43507372       4.29616096      -3.35260399       0.57947174      -0.06866820       0.37100786 
O       9.48486204       3.33475297      -8.68120051       0.47633604       0.08199131       0.04249467 
O       4.27995816       9.35422294      -3.45144306       0.36565490       0.19691262       0.74353069 
O       4.23290197       8.57530384      -8.63083235       1.02565894      -0.22200378      -0.23227358 
O       9.44056312       9.38204341      -3.44133425      -0.16535659      -0.16985896       0.33785014 
O       9.55937459       8.44121840      -8.64614924      -0.57140244      -0.63644056      -0.50558749 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004852593452598207 0.0064208225525493835 0.0025007953605011186 0.0064208225525493835 -0.006427896785098314 0.0002922781570524837 0.0025007953605011186 0.0002922781570524837 -0.008858849758344946" pbc="T T T" energy=-961.49153326 free_energy=-961.49153326 config_type=crystal 
Hf       2.77334138       2.97341412      -4.25946917       0.04809275       0.44272628       2.40191367 
Hf       2.78457049       2.09628051      -9.47763208      -0.30348920       1.29166985       1.73075646 
Hf       8.11547945       3.09639298      -4.09719365      -1.29931809      -0.99785832      -1.03228479 
Hf       8.10245470       2.15033446      -9.43244050      -1.59504600       0.27425193      -0.23050301 
Hf       2.77345474       8.24848994      -4.20805830       0.58531196      -1.03286423       0.89404290 
Hf       2.74774520       7.28669993      -9.29853925       2.00386957       0.99096574      -1.78033707 
Hf       8.02857045       8.15031960      -4.22676740      -0.42866662      -1.10340849       0.27909310 
Hf       7.96512565       7.23804029      -9.45871013       0.32146452       0.02775371       0.00943454 
Hf       0.20872731       0.70520642      -3.70143007      -0.09862898       1.22596401       0.78943083 
Hf       0.14199814      -0.13815200      -8.94563569      -0.26271341       1.01748775       0.31427284 
Hf       5.49108617       0.77239428      -3.71836824      -0.84901822       0.33203774       0.16752220 
Hf       5.42536547      -0.03360464      -8.93250566       1.23350995      -0.85317172      -0.51081087 
Hf       0.24890087       5.96719291      -3.67620367       0.63131798      -0.08131226      -0.43685438 
Hf       0.25288981       4.98607422      -8.89970382      -1.04355328       0.82277392      -0.88414403 
Hf       5.44563008       5.87382915      -3.76154108      -0.68202753       0.43596348       1.11452311 
Hf       5.43875285       5.00038878      -8.97553327      -0.34677188      -0.26087873      -0.31911796 
Hf       2.40301735       1.25078371      -1.03817845      -0.48485446      -0.04801393      -0.46994067 
Hf       2.32218418       0.39177190      -6.33036661       0.10926109      -0.71871603      -0.73641792 
Hf       7.57714819       1.23262978      -1.16130107      -0.89971842      -0.14271404       1.54160098 
Hf       7.62248832       0.31094138      -6.28934376      -0.89216248       1.05237768      -1.50057182 
Hf       2.43323357       6.41672974      -1.03274745      -0.33411769      -0.33482237      -0.27146269 
Hf       2.45537030       5.54342547      -6.28515949      -1.37851240      -1.02232592       0.13930295 
Hf       7.54446261       6.38604393      -1.16051688       0.45642097       0.12715453       0.87953658 
Hf       7.54676437       5.42678163      -6.41697428      -0.19961772       0.46934585      -0.00740144 
Hf       4.87313262       3.47621010      -1.50580111       0.77683936       0.29937418       0.59823220 
Hf       4.97014660       2.49919937      -6.72994033       0.45745818      -0.17438534      -1.60164828 
Hf      10.20495957       3.42886607      -1.56672645       0.13994057       0.43467714       1.24598582 
Hf      10.19680277       2.56694970      -6.75519066      -0.27091055      -0.10853786      -0.40937691 
Hf       4.88416140       8.61601737      -1.52077190       0.55273875       0.27653690       0.20940123 
Hf       4.88617109       7.72805468      -6.79116336       1.93280106       0.93910735      -0.36515621 
Hf      10.16997035       8.58430489      -1.57152312       0.07391640       0.58257992       0.91383772 
Hf      10.17766811       7.66835280      -6.78344889      -0.42698015       0.75184253      -0.29123080 
O       1.29294337       2.34580705      -2.71276135       0.31720899       0.02678464      -0.68113971 
O       1.31635447       1.41839369      -7.93778009      -0.01915735       0.79690038      -0.43842253 
O       6.63972985       2.34085321      -2.84044562      -0.61245994      -0.24993311       0.33851050 
O       6.54360009       1.48699048      -8.02624784       0.02546497       0.29337917       0.05917072 
O       1.39301895       7.58055961      -2.81995426      -1.18643232      -0.72720509       1.03344669 
O       1.44252133       6.72795557      -7.92541891      -1.92861431      -1.07077986       0.76690741 
O       6.51111535       7.45159066      -2.78064385       0.06326806      -0.11542985      -0.34438989 
O       6.44592342       6.59492640      -8.04892070       0.52958066      -0.03884472       0.44945746 
O       3.89166629       1.45807417      -5.08234656       0.43048354      -0.89666736       0.09187354 
O       3.93372101       0.65955464     -10.31177199       0.04615822      -0.53821314      -0.60396213 
O       9.11231864       1.49564556      -5.06632761       0.29334766      -0.29244553      -0.36519693 
O       9.11301645       0.65081413     -10.43705625       0.31108640      -0.70535717       0.32868565 
O       3.91940017       6.66292289      -5.11950960       0.19726400      -0.89225372       0.16331194 
O       3.88829194       5.69980840     -10.25747031      -0.17235363      -0.01571797      -0.55331778 
O       9.17481741       6.57408193      -5.15350924      -0.29929958      -0.12562418      -0.26247716 
O       9.09737677       5.70473752     -10.45899470       0.52280906      -0.12051353      -0.03973778 
O       3.87089952       1.89031213      -2.39388315       0.06321734      -0.46070250      -0.55956627 
O       3.84168814       0.91744581      -7.65214864       0.55174382       0.34196497      -0.73045889 
O       9.06387098       1.82764844      -2.41491572       1.06282385       0.60991382      -1.34282291 
O       9.01151657       0.99663177      -7.81720293       0.34410740       0.12246477       1.09037882 
O       3.85404864       6.99650327      -2.47302091       0.30479945       0.06417732       0.31587686 
O       3.85843158       6.13773170      -7.65851535       0.11390446      -0.01304999      -0.60570501 
O       9.06008746       7.09093289      -2.62491576       0.06728703      -0.85438427       0.91879356 
O       8.99865245       6.11340333      -7.79091146       0.62572466       0.23494890       0.06146152 
O       1.21267814       2.84001631      -0.11289609       0.58876600       0.27267391       0.01535995 
O       1.24352786       1.90612573      -5.35456058      -0.17553583       0.07962483       0.27619644 
O       6.45669753       2.81388184      -0.13925309      -0.19583250      -0.25373480      -0.12269847 
O       6.40954419       1.84940361      -5.40960108       0.36338783       0.01989737       0.53094239 
O       1.25768671       7.95325403      -0.09185166      -0.10320977       0.46409745       0.12315283 
O       1.23158026       7.10213840      -5.35953870       0.59647896      -0.84012809       0.17142201 
O       6.39656557       8.04280897      -0.16149606       0.08748005      -0.82043064      -0.41395907 
O       6.48367718       7.00325097      -5.42997725      -0.48255238       0.30052628       0.04551767 
O       3.48814900       3.67481563      -6.08945274      -0.80593494       1.72177791       0.33060334 
O       8.75410719       4.76966247      -0.81637229       0.10637156      -0.33914662       0.07815200 
O       8.72264881       3.78541393      -6.09374107      -0.33376619      -0.07108319       0.86178127 
O       3.49990645       9.82426057      -0.64532511      -0.04790881       0.22987531      -0.77677707 
O       3.34855570       8.91454925      -6.09464727       0.89134973      -0.29331259      -0.30723692 
O       8.72802724       9.86332928      -0.80860185       0.78549653      -0.70970746      -0.52318737 
O       8.71412492       8.95071288      -6.08095398       0.34424408      -0.86274744       0.55121665 
O       1.06198395       0.00266982      -1.87715346      -1.35039194      -0.82805573       0.12297556 
O       0.86017927      -0.83620478      -7.04072856      -0.51408735      -0.53197545       0.00765349 
O       6.07711314       0.00578192      -1.87464035      -0.01630584       0.09568850      -0.04025221 
O       6.14230934      -0.82928203      -7.11735154      -0.44444338      -0.62276506       0.71023718 
O       1.04073091       5.15989828      -1.83122600      -0.46814059       0.29911799      -0.38775835 
O       0.87368603       4.34021848      -7.06041159       0.61678025       0.18395686       0.26816378 
O       6.11315625       5.07221098      -1.80830133      -0.16719275       0.73465641      -0.53335016 
O       6.07593156       4.22669709      -7.12738148       0.15398586       0.09584413       0.57709322 
O       1.62959558      -0.44443576      -4.42196824       0.16932782       0.70963816      -0.96533140 
O       1.66653963      -1.14777103      -9.65837592       1.47307220      -2.09219988      -0.03170626 
O       6.95892501      -0.43127227      -4.41467338      -0.39000123       0.12539158      -0.28464466 
O       6.96931718      -1.38118720      -9.77265389      -1.38382730       1.79942377       0.34760784 
O       1.62384164       4.61694515      -4.50527211      -0.00203467       1.23155990      -0.16315512 
O       1.69297264       3.89043377      -9.66680768       0.98804365      -1.18598654      -0.41964723 
O       6.86982356       4.69769536      -4.49056163       0.45028339      -0.33725489      -0.13140386 
O       7.03371986       3.98003606      -9.68337918      -0.25441053      -0.57548382      -0.24287765 
O       4.25301955       4.16041317      -3.34690911      -0.03745103       0.85292432      -0.90232051 
O       4.30472935       3.27422476      -8.69373285      -0.28123478      -0.32248543      -0.22514293 
O       9.47252617       4.26173797      -3.32470719       0.44054750       0.61640470      -0.50904640 
O       9.55623630       3.28771901      -8.60579549       0.14648877       0.52243738      -0.64447301 
O       4.23324464       9.37553570      -3.43228369       0.68079067       0.42316951       0.26376449 
O       4.40309458       8.46816830      -8.69901360      -1.24018074      -0.49356669       0.47699927 
O       9.46798852       9.31821060      -3.45087876       0.71172653       0.96891268       0.32302794 
O       9.45652989       8.49357408      -8.64994100       0.01758654      -0.89212848       0.06101160 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002322298928655045 -0.002028280801137502 -0.0029457274240111044 -0.002028280801137502 -0.0003906277946357111 -0.0002782636035329171 -0.0029457274240111044 -0.0002782636035329171 -0.001116767125903127" pbc="T T T" energy=-962.17088664 free_energy=-962.17088664 config_type=crystal 
Hf       2.82227853       3.04146713      -4.10794803      -0.04807577       0.42358451      -0.87453400 
Hf       2.86511325       2.09639610      -9.39611005      -1.14268918       0.07027755      -0.60509979 
Hf       8.05120415       3.02533104      -4.19950767      -0.59292370       0.76798383       1.41961639 
Hf       8.06258693       2.06035762      -9.40495596      -0.48136103       0.47648165       0.83538717 
Hf       2.78432444       8.19044018      -4.13078082       0.26915489       0.31845577      -0.57536456 
Hf       2.87671619       7.26575786      -9.43873119      -0.91113075      -0.18959558       1.29158811 
Hf       8.02440467       8.10183169      -4.12766876       0.24747385       1.03471655      -0.70399088 
Hf       7.99402698       7.26684433      -9.42518428      -0.48373398      -0.23463215      -0.00256645 
Hf       0.20029434       0.85074643      -3.69787100      -0.73656977      -0.62356630       0.66269626 
Hf       0.25663416      -0.07454141      -8.88411392      -0.31685159      -0.83757724      -1.21001379 
Hf       5.40695179       0.76252115      -3.70080392       0.93361285       0.78146337      -0.89790325 
Hf       5.40746840      -0.08138005      -8.97059369       0.19894076      -1.05821596      -0.14008013 
Hf       0.19714930       6.03491081      -3.77525233       0.41707110      -0.86779571       0.68636787 
Hf       0.24161997       5.03888977      -9.05719874       0.54966942       0.30370026       1.15018229 
Hf       5.38156747       6.01712907      -3.65445727      -0.07922527      -1.02215550      -1.37691088 
Hf       5.44589275       4.90019025      -9.04082885      -0.52774879       1.68258473       1.00956463 
Hf       2.30324672       1.18207648      -1.13760188      -0.43295679      -0.05445394       0.89321939 
Hf       2.38548362       0.33295155      -6.37407162       0.26111468      -0.20810650       1.86453083 
Hf       7.56200392       1.25772646      -1.08073638       0.44826701      -0.37183919      -0.14600091 
Hf       7.51420461       0.31194868      -6.35477595       0.30217130      -0.24740904       0.89395463 
Hf       2.42683408       6.36127000      -1.05247710       0.09087476       0.64469984      -0.29766725 
Hf       2.35181491       5.46244807      -6.31780696       0.94238736       1.20286589      -0.31640994 
Hf       7.56844299       6.27779453      -1.07477593       0.40482633       1.40925562      -0.88363798 
Hf       7.51923746       5.48784251      -6.33926344       0.12795020      -0.20423824       0.00926810 
Hf       4.90499976       3.43483190      -1.50219657       0.88125213       0.81047403      -0.21496645 
Hf       4.93998045       2.50109284      -6.80627255       0.47947658       1.03680237       1.11787031 
Hf      10.27831515       3.58560376      -1.49312491      -1.02601206      -1.28058151      -0.79479996 
Hf      10.19091584       2.60743933      -6.77707661       0.09096766       0.21763248       0.24702309 
Hf       5.00514797       8.62873970      -1.51174108      -0.39479283      -0.07198266      -0.37058179 
Hf       5.00578282       7.68593780      -6.81620925      -1.45272373      -0.19734822       0.10756168 
Hf      10.16738327       8.60634697      -1.50838730      -0.38605243      -0.20955203      -0.91313192 
Hf      10.11235845       7.71728608      -6.87295609       0.43871206      -0.70453065       0.92669928 
O       1.30838283       2.41148621      -2.72368741       0.32806134      -0.01146414       0.39085162 
O       1.34847389       1.50907274      -7.96540713      -0.38267600      -0.55682348       0.33468021 
O       6.57365651       2.34631467      -2.80079972      -0.42661285      -0.01943947       1.03241500 
O       6.50713379       1.40769111      -7.98968406       0.28844887       0.86119104       0.28943282 
O       1.36598777       7.56018278      -2.71824171      -0.52042190      -0.21852563      -0.29026893 
O       1.39989348       6.65698719      -8.04003605      -1.35044835      -0.70627274       0.08821339 
O       6.53525118       7.46723822      -2.71481096       0.23652448       0.58972985      -0.05170266 
O       6.46016270       6.55937541      -7.99135576       0.68494436       0.04344479      -0.53014874 
O       3.95353135       1.47179494      -5.17756975      -0.31544862      -0.27305378       0.29512121 
O       3.97492944       0.58893785     -10.35833336      -0.42165322       0.03639542      -1.03829701 
O       9.10343016       1.42661818      -5.04112799      -0.04764591       0.20717289      -1.03429486 
O       9.09123351       0.59155961     -10.28075378       0.89009375      -0.93474779      -0.42543078 
O       3.89467812       6.60754275      -5.20924634       0.49160954       0.09069785       1.19836492 
O       3.93038707       5.69683225     -10.40040060       0.56680330      -0.60117192       0.05955891 
O       9.08851988       6.53522898      -5.14897404       0.01164998       0.34440297      -0.08735691 
O       9.12507304       5.62787814     -10.43987776       0.04227563      -0.06117033       0.69723312 
O       3.80690278       1.85936166      -2.53772804       0.42568685       0.35059822       0.49157699 
O       3.82321336       0.96602376      -7.79350689       0.13913027      -0.23474279       0.43971366 
O       9.06198119       1.90319487      -2.37877795       0.32189444       0.35787747      -0.48516299 
O       9.01748881       0.96744737      -7.72510933       0.65491538       0.54703839       0.38236620 
O       3.78893214       7.01270225      -2.54210279       1.02973433       0.48542174       0.32171406 
O       3.82940172       6.16598983      -7.74427878       0.43182644      -0.53392341      -0.48296200 
O       9.12640227       7.05711943      -2.57077244      -0.80244580      -0.69195879       0.64739154 
O       9.06344228       6.10727573      -7.74704747      -0.14207266       0.05904523      -0.78556905 
O       1.20826901       2.76851181      -0.06190378       0.69033285       0.10988703      -0.12141729 
O       1.26549232       1.91710610      -5.26192904      -0.18776930       0.38942781      -1.31193399 
O       6.50626932       2.80405442      -0.01981198      -0.62961070       0.11122020      -1.33979819 
O       6.43676936       1.95801461      -5.33550023       0.22641766      -0.49278886      -0.79785805 
O       1.24447306       7.94584031      -0.16074527       0.35695887      -0.54044294       0.55278936 
O       1.16603548       7.07982108      -5.36749289       0.44088211       0.06068739      -0.02838619 
O       6.46084949       8.01107817      -0.12428398      -0.03847100      -1.11119259       0.13746620 
O       6.45970043       7.03778614      -5.42747013      -0.34887013       0.69577860       0.67945181 
O       3.47723348       3.78484916      -6.02833072       0.56499606      -0.54158389       0.10419342 
O       8.68944610       4.63971449      -0.82449281       0.18379789       0.09623898       0.37884177 
O       8.70613956       3.80976260      -6.05269019       0.15986927      -0.49084903       0.06022514 
O       3.45136684       9.78403453      -0.78441040       0.53677183       0.33361744      -1.24052726 
O       3.49838406       8.94270201      -5.98589261      -0.12073150       0.36513634      -0.43375312 
O       8.59601449       9.70421075      -0.80188032      -0.09882836       1.00544191       0.01876472 
O       8.62198836       8.85012172      -6.12862296      -0.12449140       0.36886345       0.54602860 
O       0.76048252       0.05432173      -1.78921788       1.03682175       0.79856336       0.31144039 
O       0.95842294      -0.94905114      -7.01934926      -0.32138980       1.06535127      -0.88259972 
O       6.07460306       0.02541858      -1.83855394       0.20550335       0.48580554       0.41730656 
O       6.04732334      -0.85185049      -7.12203763       0.14835419      -0.15587165       0.44745337 
O       1.01992725       5.21386688      -1.79582149      -0.89787799      -0.45661044      -0.47212589 
O       1.03369876       4.22770627      -7.12167704      -1.45757686      -0.38845703      -0.36655171 
O       6.04690440       5.20330061      -1.81406825      -0.47685760      -0.82721848       0.64169069 
O       6.08116681       4.23959371      -7.12525008      -0.08174975      -0.42997100      -0.06635090 
O       1.69916536      -0.32262674      -4.28707100       1.09354284      -0.89608080      -1.08524680 
O       1.68980318      -1.34874863      -9.75844397      -0.52688150       0.72558763       0.49685531 
O       6.89220789      -0.46941540      -4.44483295      -0.01092059       0.34840320      -0.35610981 
O       6.82049407      -1.36567293      -9.70382991       0.29694664       0.13742772      -0.17757209 
O       1.73010537       4.77664325      -4.39643365      -0.05349512      -0.15010635      -0.16468869 
O       1.73896767       3.77986971      -9.70831282       0.08123209       0.34199673      -0.29797611 
O       6.91778963       4.83694477      -4.38694742       0.14546458      -0.84137771      -0.42451119 
O       6.89266922       3.75264073      -9.78768653       0.00253113       0.19829367       0.49634946 
O       4.30493352       4.29677311      -3.29526901      -0.88786218      -0.95182677      -0.22712094 
O       4.31782923       3.24058009      -8.69850316       0.27021105       0.50355458      -0.03665792 
O       9.52570567       4.24246537      -3.39267580       0.25602275       0.07583815      -0.18104394 
O       9.53386818       3.34894139      -8.65161007      -0.35314653      -0.54150673      -0.26357460 
O       4.37057909       9.38828668      -3.45201986      -1.07022277      -1.50861631       0.58607560 
O       4.22766495       8.50843967      -8.69603080       0.76236769       0.33024892       0.47387396 
O       9.50479354       9.35675711      -3.40492368      -0.44422097      -0.08378814      -0.59087608 
O       9.42830403       8.52991319      -8.69938259       0.54209814      -0.07236193       0.14905732 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0015259772101650182 -0.001530818018537398 -0.001363260842558913 -0.001530818018537398 -0.000946669930336809 0.00340176511081443 -0.001363260842558913 0.00340176511081443 0.0005766132135536403" pbc="T T T" energy=-961.52518235 free_energy=-961.52518235 config_type=crystal 
Hf       2.76682397       3.03401762      -4.09945632       0.59767868       0.43395160      -1.39511794 
Hf       2.75740537       2.13894917      -9.41478755       0.15483761      -0.59464665       1.01287104 
Hf       8.04956186       3.02995408      -4.06615455      -0.27407400       0.16846251      -1.07772405 
Hf       7.97817004       2.07344833      -9.43363337       0.13365690       0.30662896       0.95035593 
Hf       2.82943142       8.10348784      -4.15085983      -0.55550231       0.80703711      -0.63476167 
Hf       2.73507767       7.24059801      -9.48020336       1.44561796      -0.02613086       0.33541094 
Hf       8.07117191       8.22524683      -4.12172942      -0.40370181      -0.62743443      -0.40260995 
Hf       7.98624133       7.30777339      -9.41307259       0.08106963       0.22257244      -0.47228730 
Hf       0.25773927       0.82053626      -3.76028185       0.00400362      -0.26855917       0.00834456 
Hf       0.19103856      -0.12337907      -9.03798697       0.83585171       1.12857534       0.88183182 
Hf       5.43885177       0.80076283      -3.71226583      -0.26313618       0.01197746      -0.52734556 
Hf       5.33148989      -0.12954834      -8.93379765      -0.26209827       0.51781561       0.31239405 
Hf       0.18560652       5.96756005      -3.73216381       0.25537066       0.08614544      -0.39443670 
Hf       0.22108948       5.00581143      -8.99163109      -0.61633640       0.18279177       0.06872051 
Hf       5.33429142       5.93052836      -3.68288645       1.13811619      -0.42097014      -0.52324621 
Hf       5.40174418       5.01474125      -8.97599992      -0.82667230      -0.40883195       0.16830071 
Hf       2.43991838       1.21525938      -1.12481678      -0.67060769       0.22116241      -0.17563026 
Hf       2.47678148       0.31596906      -6.30960265      -1.24191944      -0.12814925      -0.52651465 
Hf       7.51367751       1.28740900      -1.14361409       0.49501494      -0.15429813       0.87264872 
Hf       7.55736101       0.29222249      -6.34378667       0.35782028       1.42652842       0.70806314 
Hf       2.38671518       6.30039706      -1.01028428       0.19160832       0.51072765      -1.11718166 
Hf       2.37655077       5.48204992      -6.36950082      -0.18216907      -0.61212536      -0.31735974 
Hf       7.58293870       6.36496264      -1.02328358       0.23974285      -0.23532052      -0.77146338 
Hf       7.54248928       5.45001190      -6.32141276       0.88063473       0.41116241       1.07006526 
Hf       5.00259954       3.50556161      -1.48186450      -0.90143281      -0.11809644      -0.54479683 
Hf       5.05260460       2.61458464      -6.70242270      -1.64073995      -1.11344604      -0.79602552 
Hf      10.18709242       3.46176512      -1.53156104      -0.76107640       0.37670759       0.50874573 
Hf      10.18287074       2.57682874      -6.81020879       0.38187908      -0.73028121      -0.25991971 
Hf       5.06275831       8.54583564      -1.61619849      -1.34248101       0.68137567       0.63266079 
Hf       5.06120964       7.63022200      -6.79600150      -1.96021496       0.86561238       0.37512406 
Hf      10.18973488       8.68256404      -1.52787428      -0.69189622      -0.24775581      -1.00699565 
Hf      10.14160454       7.71515693      -6.83776023       0.52839089       0.04016843       0.89899487 
O       1.30657554       2.37082380      -2.70822047       0.37779362       0.30658368      -0.55027280 
O       1.28527762       1.52353462      -7.92155375       0.29031911      -1.09898926      -1.20723078 
O       6.50524182       2.38579092      -2.68883440       0.07307168       0.26544456      -0.31129413 
O       6.45770383       1.45285488      -7.96400971      -0.05396347      -0.20133318      -0.08014665 
O       1.23932176       7.51458670      -2.85521144       0.21129735       0.44779019       0.63722489 
O       1.28923903       6.63627827      -8.02524325       0.10767662      -0.22798338      -0.62292177 
O       6.55122303       7.41954884      -2.65201819      -0.41476746       1.03895088      -0.81885373 
O       6.52858258       6.66836774      -7.91250172       0.19549128      -0.72250655      -1.13265938 
O       3.98037437       1.44146713      -5.12482742      -0.71519021       0.16093435      -0.06573151 
O       3.86715132       0.62869695     -10.40681667       1.04930500      -0.34524911      -0.09746472 
O       9.12604318       1.44413311      -5.02908518       0.19303467       0.14633797      -0.88272062 
O       9.09675751       0.57640787     -10.47122295       0.22708973      -0.68488846       0.93199897 
O       3.89439769       6.54397794      -5.04198389       0.19849884      -0.15781645      -1.04817833 
O       4.00077966       5.63387221     -10.38204159      -0.83455688       0.42667744      -0.46522413 
O       9.14884988       6.64650933      -5.14387107      -0.14753955      -0.31273532      -0.20242247 
O       9.12246185       5.70172212     -10.46383400      -0.09421441       0.38820004       0.64764236 
O       3.86819461       1.85147589      -2.53083199      -0.11477192       0.45414668       0.22270949 
O       3.80333018       0.96510897      -7.76375001       0.56392363      -0.24537350       0.06741526 
O       9.00527595       1.96478530      -2.48781760       0.30522963      -0.34604694      -0.20763551 
O       8.94000142       1.02208807      -7.78451744       0.75080950      -0.18407215       0.11913166 
O       3.74168893       7.03758013      -2.50300618       0.93701956      -0.06625170       0.21856750 
O       3.82326739       6.04751220      -7.78007832       0.43452218       0.60104123       0.04487939 
O       9.00576959       7.01720369      -2.59714791       0.34225023       0.56480284       1.07160085 
O       8.99219987       6.17457791      -7.77473719       0.13494152      -0.50617809      -0.47269130 
O       1.21378533       2.87959528      -0.14172745       0.47916773      -0.66620251       0.65478210 
O       1.29835994       1.96907239      -5.40087131       0.06386852      -0.35673491       0.82378409 
O       6.49848106       2.91081209      -0.13230559      -0.96082191      -0.69403428      -0.00597965 
O       6.46103070       1.93321814      -5.31829376       0.42620590       0.05148344      -0.09158313 
O       1.24737289       8.00698121      -0.18986696       0.35555378      -0.66355689       0.63945868 
O       1.30354168       7.02906766      -5.49336687      -0.52958914       0.69488726       0.68759614 
O       6.44784531       7.88540888      -0.08855626       0.27611870       1.12127885       0.23406353 
O       6.41097982       7.08356111      -5.36152257       0.67305838      -0.57536904       0.77570900 
O       3.53985921       3.81625403      -6.04174364      -0.19975901      -0.44514053       0.51961428 
O       8.61752313       4.66077580      -0.69181340       0.83409587       0.26738575      -1.75049929 
O       8.82510449       3.78327295      -5.95358651      -1.27806616       1.08542246      -0.26436104 
O       3.37283616       9.71176777      -0.96661266       0.51181280      -0.27108063       0.31519723 
O       3.50577489       8.85840121      -6.09268524      -0.21562679      -0.11625991      -0.09416792 
O       8.68508987       9.91572457      -0.74544640      -0.11648400      -0.84832213      -0.33290873 
O       8.60802131       8.89727407      -6.06163921       0.53128986      -0.36649385      -0.08277552 
O       0.76487627       0.15667309      -1.78632581       0.62850257      -0.19599810       0.15099984 
O       0.75976227      -0.85568027      -7.11637509       1.30923437       0.95531119       0.19764850 
O       5.98475371       0.08140270      -1.82238451       0.38023391      -0.57926520       0.49709110 
O       6.07869050      -0.87642374      -6.90421623      -1.04821690      -0.28722790      -1.54177753 
O       0.95539459       5.15005578      -1.79969442      -0.08277471       0.30679939      -0.22827071 
O       0.95373307       4.19705604      -7.21792761       0.04659263       0.99376077       0.74531339 
O       5.97497499       5.21858602      -1.78470085       0.13293262      -0.09504812       0.43484719 
O       6.07205307       4.28915478      -7.02767917       0.46263050       0.48672466      -0.63589914 
O       1.74916128      -0.44392256      -4.45648072      -0.29885419       0.69040674       0.22529557 
O       1.81438615      -1.26459313      -9.75572065      -0.87671337       0.28782499       0.73429239 
O       7.07535305      -0.30483758      -4.32818993      -0.73610713      -0.08322927      -0.01990346 
O       6.80445270      -1.25169667      -9.75657351       0.68527140      -0.58614070       0.53423401 
O       1.64105244       4.75780586      -4.53041817       0.31197587      -0.94857007       0.76148671 
O       1.72005827       3.85760632      -9.66414547       0.46079337       0.38052278      -0.89250627 
O       6.83727004       4.70042188      -4.46031469       0.31954851       0.32452074       0.07778008 
O       6.84942762       3.80539839      -9.69555713       0.28724479       0.00556628       0.50571980 
O       4.33641715       4.19239303      -3.46297753      -0.49955790      -0.31384280       0.87046511 
O       4.27496012       3.24993520      -8.70797606       0.85087248       0.87226997       0.21551249 
O       9.46798571       4.30095508      -3.32994657      -0.25711514      -0.31825707      -0.17886833 
O       9.61456680       3.24699296      -8.83343106      -0.73966868       0.21440127       1.02284013 
O       4.41148610       9.33574542      -3.57501111      -0.10634678      -0.98393517       0.72770457 
O       4.35101354       8.37293563      -8.76186684      -0.05914522       0.28264117       0.27120554 
O       9.53940018       9.45145326      -3.44877549      -0.19245105      -1.03611470       0.44829133 
O       9.51101597       8.51425544      -8.70486232      -1.04992346      -0.94405703      -0.52925844 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0019657859745995866 0.0028618156390963615 -0.0012176412167504275 0.0028618156390963615 -0.00028622513526069303 0.002421821114867188 -0.0012176412167504275 0.002421821114867188 -0.003373887017088597" pbc="T T T" energy=-961.0441065 free_energy=-961.0441065 config_type=crystal 
Hf       2.83536770       3.06394044      -4.21009037      -0.80963647      -0.14733505       1.73492100 
Hf       2.77203158       2.16110812      -9.37073896       0.70292228      -0.51187066      -0.80961760 
Hf       7.99417660       2.98856592      -4.16726426       1.12857969       0.10721921       0.08976035 
Hf       7.99679787       2.05728515      -9.41233808       0.03668380       0.74044977       0.28065325 
Hf       2.73997659       8.12990788      -4.19082516       1.36113489      -0.10139661       0.53759081 
Hf       2.81369729       7.18366810      -9.49389035      -0.92263132      -0.13723587       0.53601677 
Hf       8.08744332       8.20768054      -4.15285935      -0.52949584       0.54126727      -0.35410589 
Hf       7.97763754       7.31445388      -9.43005225      -0.41636467      -0.29516213       0.48738852 
Hf       0.28588169       0.83620927      -3.72834401      -0.19821326       0.18344928      -0.48803449 
Hf       0.28155840      -0.16553452      -8.93826397      -0.49021610       0.80420452      -0.13856187 
Hf       5.40200726       0.82570434      -3.64964412       0.17128207      -0.59335780      -1.67162357 
Hf       5.28459672      -0.16778867      -8.91436799       2.08583062       0.54600122      -0.33295031 
Hf       0.12364732       5.90785809      -3.77634428       0.84131924       0.04870330       1.92401720 
Hf       0.16498074       5.02795755      -8.97951698      -0.06337878      -0.21965948       0.76083383 
Hf       5.47260828       5.95068190      -3.71563988       0.04212189       0.21723761       0.45972807 
Hf       5.27424767       5.02123775      -8.93677519       3.42893458      -1.04155514      -0.38958830 
Hf       2.38873038       1.19583263      -1.11293254      -0.31935801       0.17190519      -0.02802146 
Hf       2.42239067       0.37365614      -6.36370134      -0.11714452      -0.88667210       1.22885340 
Hf       7.57062184       1.29958409      -1.13270398       0.27037727      -0.08540699       0.17207331 
Hf       7.52232733       0.35134531      -6.33910551       1.02376988      -0.38138279      -0.33082810 
Hf       2.45663750       6.28664551      -1.05542041      -0.95165741       0.52269039      -0.92625503 
Hf       2.41284896       5.44710886      -6.34780304      -1.52536714       0.66108019       0.22401401 
Hf       7.64084745       6.41082199      -1.01229619      -1.17935771      -1.05492297      -0.34818046 
Hf       7.62373276       5.51405126      -6.27252140      -0.46374645      -1.11500268      -1.57013297 
Hf       4.88970909       3.49063822      -1.52839007       1.04088503       0.96361668       0.84743824 
Hf       4.97505154       2.55169931      -6.74103157       1.06361845       0.26158868      -0.03943402 
Hf      10.25034334       3.48708985      -1.45592323      -0.94546942      -0.02484636      -1.43221121 
Hf      10.16767379       2.60231024      -6.80258096      -0.70381142      -0.59513853       0.00352073 
Hf       5.04407749       8.57801898      -1.65788927      -0.50667140       0.13755925       0.22887116 
Hf       4.95386563       7.66550910      -6.80008161       0.73372052       0.35761094       0.79478275 
Hf      10.14068073       8.66126926      -1.52130281       0.85472005      -0.83409798      -0.35961464 
Hf      10.18050611       7.74342351      -6.83658343       0.28207174      -0.93830882       1.25993171 
O       1.36054055       2.42072221      -2.75213570       0.12034214      -0.39655311      -0.12482752 
O       1.39284679       1.49918131      -8.04610014      -0.88634556      -1.08144383       0.75251808 
O       6.48357660       2.42542743      -2.74676277       0.69046537       0.02831157      -0.06685672 
O       6.57597999       1.41992042      -7.97464492      -1.01117998       0.04316066      -0.16021867 
O       1.41050572       7.54804647      -2.69523177      -0.32562954      -0.34721914      -0.51586157 
O       1.28157390       6.55615026      -8.00892534       1.35038787       0.29450191      -0.14214513 
O       6.60480942       7.59537526      -2.79229572      -0.35067046      -0.64031802       0.03128897 
O       6.58739217       6.61996823      -7.99966760      -0.53401113      -0.44498266      -0.41874686 
O       3.98604404       1.45873930      -5.07200244      -0.91156141       0.34317569      -0.73905685 
O       3.87896228       0.57872738     -10.35565950       0.10967122      -0.06333648      -0.16948344 
O       9.17491757       1.51179338      -5.24934724      -0.22880293      -0.83041275       1.64662120 
O       9.21155302       0.51719789     -10.30976532      -0.51007552      -0.09170431      -0.66600792 
O       4.01487981       6.52520981      -5.20321817      -0.52488822       0.12036436       0.27022376 
O       3.87230875       5.54510736     -10.36164672      -0.26812002       0.44745569      -0.40234205 
O       9.06554143       6.58022086      -5.09156681       0.56727570       0.24279753      -0.11084764 
O       9.07253171       5.63909975     -10.33051721       0.29580512       1.23453309       0.02840471 
O       3.83451021       1.88949350      -2.51901694       0.19183880       0.18437963       0.29799806 
O       3.88249478       0.97478693      -7.66786413       0.29981063      -0.31280128      -0.75734097 
O       9.15211305       1.83758059      -2.52631894      -1.03814956       0.18508085       0.35011004 
O       9.09049476       0.97509400      -7.71939313       0.00331510      -0.35477344      -0.66475567 
O       3.97972269       6.90218631      -2.55663424      -0.88056478       1.04916193       0.87149996 
O       3.89735186       6.04447191      -7.77606310      -0.59114564       0.27177055      -0.07595054 
O       9.07241294       7.06084211      -2.43214739       0.52308293       0.25239853      -0.80353966 
O       9.13779928       6.10297797      -7.67167847      -0.80358355       0.14377158      -0.35047722 
O       1.27147100       2.75233796      -0.14484675       0.58930939      -0.39533575       0.77186891 
O       1.30574900       1.92828180      -5.43984675       0.37502719      -0.20593573       0.69273979 
O       6.42436532       2.73247526      -0.16482401      -0.46093915       0.79865423       0.47763601 
O       6.42475777       1.94164922      -5.35713280       0.63736713      -0.36732425       0.30510334 
O       1.20937381       7.85110651      -0.14503103       0.24694094       0.24105499       0.30619779 
O       1.30704248       7.03391411      -5.34438289      -0.50045429       0.34087821      -0.55636921 
O       6.34724939       7.93814805      -0.16319747       0.56364742       0.41429815       0.77028883 
O       6.49410509       7.05337471      -5.46514959      -0.14404163       0.02587305       1.24981009 
O       3.55764927       3.81950636      -5.93595529       0.07495780      -0.02329580      -0.87404802 
O       8.65936256       4.59190860      -0.84252945       0.19224090      -0.03025942       0.39360249 
O       8.70918735       3.78673927      -6.04399696      -0.58350287       0.48904503       0.60250987 
O       3.49866034       9.75921009      -0.80680636       0.44331644      -0.20007454      -0.06614481 
O       3.49245910       8.89289525      -6.08493486      -0.19975557       0.01121101       0.16935879 
O       8.49886305       9.74534133      -0.93378899       0.82306154      -0.33027406       0.79161563 
O       8.73661783       8.95129695      -6.11559310      -0.40019258      -0.20377570       0.80852171 
O       0.89343321       0.04766138      -1.85593230       0.04672542       0.20623189       0.41872748 
O       0.96915290      -0.89626982      -7.02293374       0.13065317       0.70269259      -0.64130029 
O       6.08899725       0.12432416      -1.91295195       0.07840590      -1.03849926       1.65255768 
O       6.08203773      -0.90126872      -7.07330641      -0.52770348      -0.03195450      -0.28127631 
O       0.86902100       5.22458412      -1.78703985       0.18854532      -0.25578654       0.04053736 
O       0.88679724       4.25938606      -7.04257046       0.77987646       0.55108136      -0.22239616 
O       6.09855425       5.24533551      -1.67245337      -1.17424899      -0.69122483      -1.02042563 
O       6.11799740       4.18544313      -7.03067225      -0.11421535       1.12947343      -0.16694041 
O       1.90004436      -0.36186394      -4.31958942      -0.95828540       0.85261506      -0.85183721 
O       1.61390644      -1.50947211      -9.75726329       0.06003719       1.26097805      -0.15204912 
O       6.88626869      -0.47329745      -4.48663021       0.12539330       0.92925966       0.06313248 
O       6.99973446      -1.20842915      -9.64769976      -0.64165558      -0.51115911      -0.15453708 
O       1.57140733       4.74906100      -4.45646339       1.70945936      -1.13295839      -0.64600719 
O       1.66595559       3.78964510      -9.59029863       0.51158086       0.26379418      -1.17030632 
O       6.96692970       4.71894624      -4.28344505      -0.27644637       0.54613510      -1.02055356 
O       7.03099179       3.88490948      -9.68206734      -1.19214323      -0.20759848       0.82409356 
O       4.20543595       4.34339188      -3.28559976      -0.04244618      -0.69666761      -0.39371135 
O       4.28666800       3.25880078      -8.64509435       0.22919905       0.39899556       0.04046728 
O       9.50792663       4.17139662      -3.43464947       0.16578435       0.27116232       0.20766499 
O       9.40496743       3.32156328      -8.61668912       0.68455522       0.14086036      -0.50948471 
O       4.37438308       9.34238278      -3.44018307      -0.54756399      -0.41721115      -0.23054288 
O       4.23205485       8.41178003      -8.63913979       0.08482033       0.11174925      -0.62976337 
O       9.63461123       9.36999290      -3.46873448      -0.63108612      -0.44533215      -0.20728460 
O       9.54056327       8.44130798      -8.62139138      -0.57611014      -0.05697053      -1.29111082 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0072992274872670515 -0.0013879782672709439 0.0015614528183233868 -0.0013879782672709439 -0.00030957525129304397 -0.0006814184128182231 0.0015614528183233868 -0.0006814184128182231 0.0033572531081586983" pbc="T T T" energy=-961.20658237 free_energy=-961.20658237 config_type=crystal 
Hf       2.87719695       3.03832000      -4.16360176      -1.09774615       0.05206290       0.40249989 
Hf       2.82605790       2.17995984      -9.37952364      -0.50669340       0.01204454      -0.81092151 
Hf       7.99636459       2.92034169      -4.19360246      -0.48899151       1.64920184       0.56225957 
Hf       8.05045439       2.13106298      -9.47843306      -0.23162519      -0.13840903       1.32705505 
Hf       2.83195730       8.16323472      -4.11415304      -0.07129839      -0.24237025      -1.02423735 
Hf       2.85478862       7.25141058      -9.43564539       0.03748135      -1.41267913       0.65235558 
Hf       7.96074572       8.16865171      -4.14040482       0.54152160       0.60217483      -1.12989920 
Hf       8.03216497       7.23855816      -9.39538551       0.38374860       0.23360540       0.27610531 
Hf       0.23835991       0.78393964      -3.69078258      -0.08265650       0.59089192       0.08743146 
Hf       0.33099209      -0.12007360      -8.93228388      -2.65703339      -0.42886572      -0.38759405 
Hf       5.33658830       0.81151511      -3.66174689       1.38452905      -0.33866601      -1.11920808 
Hf       5.45216360      -0.09897646      -9.02956603       0.47503679      -0.14068299       1.30112856 
Hf       0.25510200       5.90142772      -3.74260590      -1.57278097      -0.90134886      -0.52197462 
Hf       0.26978702       5.00149482      -9.02191772      -1.33630208       0.01328964       0.27795913 
Hf       5.48487288       5.93295660      -3.69871955      -0.71301916      -0.55590211      -0.60162856 
Hf       5.39489521       5.05954217      -8.93691569       0.49607541      -0.16796443       0.03762684 
Hf       2.38141270       1.24582708      -1.00028730      -0.05639500       0.38783363      -1.57789713 
Hf       2.33313274       0.35126295      -6.32955953       0.24143296       0.50891143       0.42151323 
Hf       7.55317477       1.23642487      -1.08864038       0.90749095      -0.75751360      -1.06652747 
Hf       7.51732638       0.37404383      -6.32823898       0.17884247      -0.15497625      -0.48523774 
Hf       2.34631127       6.37730191      -1.18803587       0.22549077      -1.08910059       0.83232635 
Hf       2.31811700       5.48042331      -6.37996906       0.24852058      -0.03047203       0.89397881 
Hf       7.62234732       6.36126058      -1.03202469      -0.42326742      -0.24555330      -0.78720077 
Hf       7.63681519       5.49764843      -6.33572495      -1.26626145      -0.03194082      -0.42326257 
Hf       4.90246879       3.51994554      -1.46778164       0.56596923       0.28205159      -1.14649730 
Hf       4.89691060       2.59405544      -6.82405959       1.26583448       0.35690591       0.11447992 
Hf      10.18028636       3.45713415      -1.55358717      -0.33031871      -0.92808440      -0.30778928 
Hf      10.14419120       2.52090146      -6.74862811      -0.49170675       0.46824142      -0.40000290 
Hf       5.00267601       8.55405970      -1.50595400       0.90735059      -0.24351596      -0.34187313 
Hf       4.92909579       7.72051189      -6.75498359       0.80919432       0.07319342      -0.30384959 
Hf      10.12608331       8.59583696      -1.57070323       0.36200669      -0.02829297      -0.35013843 
Hf      10.14988228       7.73132310      -6.77882927      -1.42980810      -0.86767441      -0.37999579 
O       1.34471821       2.47470518      -2.70450568       0.37969730      -1.14828471       0.25753285 
O       1.25244813       1.42856626      -7.94753209       1.01506153       0.34792050       0.35769589 
O       6.49189424       2.34442253      -2.77936404       0.30161805      -0.26286515       0.63189536 
O       6.55281109       1.45757750      -8.06144349      -0.24186121       0.32621736      -0.12209087 
O       1.37109522       7.38836305      -2.81059131       0.54225740       0.80875251       0.12664217 
O       1.34332384       6.57538527      -8.09057432       0.05105376       0.03368702       0.49069693 
O       6.61653799       7.38393074      -2.76565122      -0.23772202       0.85472014       0.95510932 
O       6.55695432       6.71091089      -7.99394037      -0.39998040      -0.41009032       0.37250024 
O       3.84072060       1.45389356      -5.13479310       0.29265570      -0.57685467      -0.39081845 
O       3.98548722       0.63681801     -10.37645065      -0.47884216      -0.57787210      -0.20045607 
O       9.09582114       1.40410622      -5.09222688       0.22520600       0.31427711      -0.23029139 
O       9.15184363       0.58967083     -10.38519250       0.65018540      -0.77272726       0.25150037 
O       3.97543129       6.59082761      -5.07790587      -0.75629078       0.54172325      -0.22944920 
O       3.80878135       5.54446182     -10.23499108       0.07979386       0.65174931      -1.13002995 
O       9.09033735       6.51664497      -5.19446866       0.14425527       0.81814009       0.48584988 
O       9.08613717       5.71077457     -10.39848183       0.46545423      -0.98918913      -0.19129920 
O       3.90102961       1.84885509      -2.57565447      -0.80775670      -0.06910283       1.65960272 
O       3.80347617       1.08718863      -7.79438526      -0.29324559      -0.90563500       0.40475680 
O       9.03125387       1.94743138      -2.51615196       0.00942572      -1.01035685       0.13350781 
O       9.04586782       1.01472235      -7.65988883      -0.04418786      -0.42577831      -0.93823776 
O       3.92204367       7.03191825      -2.40700804      -0.67025288      -0.30681449      -0.42490860 
O       3.81263823       6.07530124      -7.70276629       0.53590362       0.77142569      -0.17454947 
O       9.06552532       7.01642395      -2.56743073       0.12792325       0.22876498       0.57083599 
O       9.07530352       6.09091780      -7.78080464      -0.06895958      -0.09823875      -0.03990999 
O       1.28685362       1.05112766     -10.46628904       0.16735620      -0.89742068      -1.09656337 
O       1.17734604       1.94506945      -5.32333299       0.42031767      -0.40907785      -0.00918786 
O       6.51974283       2.75776268      -0.15004842      -1.02890030       0.60695783      -0.18929403 
O       6.30873880       2.03542018      -5.38531763       0.55829185      -0.79714501      -0.00048454 
O       1.21570649       7.86524324      -0.31304460       0.17871100       0.45002862       1.25207813 
O       1.17979431       7.07569839      -5.33549488       0.86685319      -0.22405567      -0.84520657 
O       6.38234313       7.91587172      -0.06737081       0.19667145       0.27906585      -0.47189257 
O       6.44921829       7.19891840      -5.35511953       0.01457901      -0.39873452       0.02043519 
O       3.45746802       3.77726891      -6.06292679      -0.25925341       0.06462073      -0.31374181 
O       8.61348390       4.59884161      -0.98957776      -0.70766836       0.71521631       1.24384247 
O       8.56071336       3.71115841      -6.17606020       0.34170352      -0.37739989       0.50707900 
O       3.61234565       9.73152374      -0.78313079      -1.19007851       1.45657380       0.01707809 
O       3.41182927       8.94926812      -6.17409890       0.06971766      -0.77024120       0.90022492 
O       8.76638447       9.76250502      -0.79460457      -1.29065951       1.21205604      -0.17259405 
O       8.55188691       8.91049869      -6.19521253       0.49572040      -0.81574533       0.65456564 
O       0.90426415       0.06367024      -1.78799751       0.29972999       0.15653146      -0.20433169 
O       0.75154448      -0.86200460      -6.95282112       1.19513447       1.04440194      -0.74937160 
O       6.23211619      -0.15349550      -1.95164713      -0.27889221       1.07387154       0.98295078 
O       6.01791714      -0.76039320      -7.12388784      -0.64714274      -0.84320576       0.51242522 
O       0.81371450       5.08911516      -1.88767063       1.62336616       1.82712246       0.50950783 
O       0.88053937       4.25467075      -7.04828730      -0.12425407       0.17292725      -0.77851408 
O       5.98031425       5.18122459      -1.77054469       0.44182429       0.28905795       0.82433656 
O       5.92245714       4.38996653      -7.06214471       0.59537661      -0.18823360       0.24177533 
O       1.78278822      -0.35968735      -4.39385901       0.05902970      -0.31012948      -0.01437865 
O       1.72980665      -1.37514412      -9.75285252      -0.05690783       0.64946417       0.44715027 
O       7.06972535      -0.21768033      -4.36491415      -0.66833810      -0.83496796      -0.39457089 
O       7.00112561      -1.27266189      -9.69567064      -0.63297980      -0.18806159      -0.09594813 
O       1.73294722       4.70340405      -4.44437313      -0.03666203       0.61994857      -0.37654520 
O       1.65945012       3.80367173      -9.81160539       0.76203767      -0.34206774       0.24484286 
O       6.89771786       4.78284786      -4.46205548       0.59172207      -0.58524180      -0.09482984 
O       7.04010906       3.91258942      -9.60326507      -0.19019082      -0.18137172      -0.62624058 
O       4.34863489       4.18959597      -3.42855220      -0.09721943       0.21926280       0.55950472 
O       4.43015382       3.25941212      -8.86711547      -0.20503992       0.15803496       0.51799376 
O       9.46924834       4.20542238      -3.48222699      -0.03202691      -0.32429242      -0.43961073 
O       9.55483704       3.25814112      -8.75514006       0.50866369       0.41228141       0.08453404 
O       4.38645848       9.24385849      -3.47725728       0.07671460       0.58879067       0.09055761 
O       4.27552306       8.40581892      -8.68168522       0.69083280       0.73531970      -0.15016539 
O       9.58239979       9.32450692      -3.50327111      -0.01112383      -0.05746151       0.12076880 
O       9.64685692       8.30883127      -8.80408340       0.16951011       1.14275154       0.76709933 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0016304268743452632 -0.0002857345900924533 0.0008415157932630345 -0.0002857345900924533 -0.005132923413832903 0.0021033786826306937 0.0008415157932630345 0.0021033786826306937 -0.006516420246343917" pbc="T T T" energy=-961.98806575 free_energy=-961.98806575 config_type=crystal 
Hf       2.75152779       3.06146822      -4.09935393       0.41159970      -0.57477955      -0.19310875 
Hf       2.83597460       2.23491501      -9.47116813      -0.63375388      -0.96917428       0.23776768 
Hf       7.99646704       2.97800362      -4.15756141       0.30452056       0.17961143       0.19206779 
Hf       7.96476168       2.09968100      -9.40492424       1.02333000       0.39583114      -0.23664854 
Hf       2.78472686       8.13384480      -4.15060761       0.26339532       0.07237746       0.13615935 
Hf       2.79403054       7.22486897      -9.44530739       0.05058997      -0.03917285       1.41501029 
Hf       7.94608408       8.22554648      -4.12112816       0.42973405      -0.68809718      -1.66654257 
Hf       8.08158631       7.26459820      -9.38804613      -0.57072017       0.31863171      -0.44988774 
Hf       0.11152704       0.74516849      -3.73814589       1.40119665       0.34968371       0.93806606 
Hf       0.31052436      -0.11090501      -9.01812470      -0.87384753       0.72089608       0.26157608 
Hf       5.42227104       0.79255099      -3.67959987      -0.47276576       0.67304606       0.33203055 
Hf       5.43613689      -0.12203280      -8.96373513      -0.19253231       0.34460138       0.21576980 
Hf       0.15785123       5.87351532      -3.74564341       0.17718983       1.02410636       0.14353897 
Hf       0.20624590       5.00138642      -8.98771353       0.50592165       0.59186189       0.33355416 
Hf       5.44756382       5.96186997      -3.64677830      -0.92282097      -0.83944100      -1.72427303 
Hf       5.43050368       5.03435368      -8.98793646       0.15586030      -0.21374535       0.36442687 
Hf       2.38970011       1.19440364      -1.10268470      -1.00739461       0.90367715      -0.78816015 
Hf       2.34399590       0.34331733      -6.32118899       1.10044988       0.34210200       0.23792867 
Hf       7.59302373       1.23305337      -1.04946627      -0.02237173      -0.13090401      -0.12947323 
Hf       7.57952466       0.37648695      -6.36196654       0.39161171      -0.06408655       0.03833446 
Hf       2.39600411       6.32003903      -1.12425280      -0.77365000       0.15445879      -0.52848289 
Hf       2.44479880       5.46474511      -6.32154874      -0.58481584       0.92455821      -0.38770373 
Hf       7.64576216       6.40584724      -1.10639729      -0.87749673      -0.98305263       0.32725855 
Hf       7.55432404       5.44895750      -6.31857193      -0.24069363       0.20203896      -0.41957449 
Hf       4.94367535       3.51705283      -1.47816095      -0.17158637       0.03688907      -1.23597886 
Hf       4.96069808       2.55708667      -6.75412444       0.06950141       0.03771628      -0.16547803 
Hf      10.14020922       3.41161882      -1.53400946       0.29678985      -0.02252589      -0.14997972 
Hf      10.22474529       2.56401479      -6.83263741      -0.68085835       0.46900663       0.35808854 
Hf       4.99115359       8.61067596      -1.51513823      -0.40242840       0.19166686      -0.01723847 
Hf       4.96465626       7.73572476      -6.79505456       0.79530959      -0.57774212       0.40779623 
Hf      10.19151432       8.56620484      -1.55847341       0.34883456       0.67462956       0.40925773 
Hf      10.18886822       7.73110145      -6.80895471      -0.09836363      -0.12331189       0.41477519 
O       1.26506600       2.24587492      -2.80883361       0.22635154       0.91525369       0.43410919 
O       1.28031023       1.48611378      -8.01233981       0.39659294       0.20060848      -0.03693564 
O       6.54196642       2.38634098      -2.72818744      -0.38928872      -0.11344067       0.19691135 
O       6.54390962       1.58897403      -8.00940248      -0.63874278      -1.08231889       0.53266664 
O       1.31112909       7.48362512      -2.76772088      -0.49622586       0.07847920       0.49699592 
O       1.33160545       6.57562711      -7.99270645       0.01167719       0.42717699       0.22706492 
O       6.51749177       7.59828229      -2.76854791      -0.50624949      -0.53327206       0.67392630 
O       6.51893633       6.62787189      -7.93237282       0.47970838      -0.33701491      -0.89060709 
O       4.02664391       1.55103222      -5.02830835      -0.65508749      -0.15132022      -0.83949520 
O       3.89981311       2.55021568      -0.02411218       0.32546198      -1.07086432       1.60873327 
O       9.12448380       1.40765012      -5.08848752      -0.11651345       0.31910118      -1.01509466 
O       9.19516399       0.59824018     -10.36071290      -0.73039580      -0.46401802      -0.04260774 
O       3.90062667       6.47342714      -5.05331749       0.20365928       1.13727410      -0.49145804 
O       3.95216046       5.64144658     -10.40181062       0.37076354       0.45497696      -0.21636159 
O       9.08680995       6.63175299      -5.12708536       0.29432038      -0.28559616      -0.36129485 
O       9.10132903       5.64479846     -10.44641238       0.90986698       0.17729793       0.31542027 
O       3.82586247       1.91759643      -2.48163790       0.09478387      -0.22318030       0.17771080 
O       3.84785343       1.07796953      -7.81455720      -0.01646461      -0.90250025       0.65732667 
O       9.00624370       1.82124156      -2.45028883       0.52536931       0.49290762      -0.60779731 
O       9.05915950       0.93551438      -7.78582823      -0.07361975       0.71936123       0.52167477 
O       3.76659104       6.98709495      -2.51976889       1.34885517       0.49614193       0.09270900 
O       3.90255740       6.13981044      -7.72235912      -0.36343165       0.26363718      -0.45134603 
O       9.03786979       7.05042087      -2.53254653      -0.10637042      -0.32115420      -0.02699548 
O       9.05098992       6.15438439      -7.85172696       0.25075098       0.00180863       0.81163704 
O       1.25699617       2.74354808      -0.18308757       0.12694750       0.33833521       0.15104961 
O       1.28348187       1.91594246      -5.34094405      -0.33342449       0.22578172      -1.03897429 
O       6.47490798       2.78567528      -0.10197948      -0.16744137      -0.04082699       0.20910219 
O       6.56860568       1.97931945      -5.34139432      -1.05919069      -0.53002163      -0.83966098 
O       1.32319357       7.95371424      -0.02929359      -0.97647033      -0.03035901      -1.24582984 
O       1.29722843       7.12946588      -5.32618537      -0.53224599      -0.00450267      -0.94981526 
O       6.58374881       7.94563751      -0.14206126      -1.07009150       0.38035278       0.17548974 
O       6.46210869       7.00195248      -5.37067226      -0.49065190       0.52212073       0.52640101 
O       3.49455109       3.80010544      -6.09916095      -0.19071924      -0.68919994       0.92445327 
O       8.66032636       4.62339462      -0.79513485      -0.23486248       0.59102159      -0.38813316 
O       8.71353361       3.82753622      -6.02879852       0.89719461      -1.02518447      -0.42985317 
O       3.37862625       9.80081171      -0.73312375       2.13530990      -0.98143729      -0.93145375 
O       3.68139540       9.02535439      -5.96851309      -1.35904719       0.06216457       0.42568440 
O       8.79970053       9.86779222      -0.76928588      -0.33069114      -0.53569389       0.58344612 
O       8.70215385       8.94580635      -6.03581837       0.02742520       0.15040208       0.09362336 
O       0.90791426      -0.02282762      -1.81648759      -0.28568623      -0.21118117      -0.13844125 
O       1.02420130      -0.88400086      -7.11553525      -0.51834982      -0.40685748       0.26863612 
O       6.12373087       0.05494533      -1.80753531      -0.63316261      -0.67509095       0.18747555 
O       6.13292399      -0.82781246      -7.10694357      -0.09503135       0.16415788      -0.39096909 
O       0.84971864       5.09128043      -1.88231555       0.93116662       0.86697708       0.38730014 
O       0.98350262       4.27429490      -7.14400276      -0.77589119      -0.83145589      -0.08237103 
O       5.97618940       5.26205587      -1.84460354       1.15677967       0.15052356       0.94859235 
O       5.99862288       4.23008677      -7.09884604       1.14795123       1.04401669      -0.03154201 
O       1.69799406      -0.34021181      -4.38259419       0.52381195      -1.08150682      -0.89834318 
O       1.75933348      -1.30156815      -9.66585265       0.30515618      -0.24436701      -0.14123704 
O       6.79826954      -0.37902580      -4.47643530       0.79296973      -0.72250256      -0.41728770 
O       6.88119044      -1.37550851      -9.70880928      -0.01035009       0.44730432       0.20559319 
O       1.67326443       4.80603075      -4.46139982       0.58573452      -1.18668409      -0.25418208 
O       1.66804809       3.84302331      -9.85713645      -0.17068231      -0.74837300       0.90640248 
O       6.92753531       4.64564921      -4.49473656      -1.32810202       1.30664805       0.79517384 
O       6.81742042       3.76988948      -9.77479013       0.28454822       0.34715256       0.10776537 
O       4.19286297       4.24851765      -3.31027970       0.43921682       0.48133026      -0.16775645 
O       4.21815596       3.38344427      -8.72852854       0.72393515       0.47047961       0.42444399 
O       9.50555452       4.19295881      -3.44862628      -0.44647945      -0.61302640       0.23614718 
O       9.43489117       3.37700662      -8.65739684       0.05154347      -0.53359505       0.09885768 
O       4.29935965       9.30776951      -3.34308049       0.14422867       0.58626254       0.12301279 
O       4.34431430       8.47611279      -8.65059036      -0.48041163       0.05292249      -0.49485885 
O       9.33908049       9.40232374      -3.36936860       0.84140778       0.06046572       0.41899090 
O       9.52228238       8.54976506      -8.65456861      -0.22418754      -0.77936835       0.12758328 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005042970665722 0.0005369079406304616 -0.001590727118916152 0.0005369079406304616 -0.008709576852414897 0.0018332771629967852 -0.001590727118916152 0.0018332771629967852 -0.004555964919994418" pbc="T T T" energy=-961.53431197 free_energy=-961.53431197 config_type=crystal 
Hf       2.82588583       2.97181573      -4.19319798       0.98526599       1.12564817       0.49603764 
Hf       2.89109439       2.27362748      -9.44236849      -0.58200973      -0.98319153       1.01282895 
Hf       8.00857713       2.97110864      -4.14711396       0.20871261       0.53467973      -0.06607045 
Hf       8.07133161       2.07338907      -9.40560279      -2.11367950       0.47172740       0.11876333 
Hf       2.74540261       8.21144389      -4.21703200       1.39842672      -1.18624612       0.67221315 
Hf       2.78325611       7.29536333      -9.33745977       1.02397102      -0.44750253      -1.12923321 
Hf       8.04871962       8.12129146      -4.11597279      -0.66760768       0.29601841      -0.16845698 
Hf       7.92924225       7.24684362      -9.40855682       0.47154746      -0.11162733       0.67694750 
Hf       0.19031612       0.81123231      -3.76483281       0.87862024      -0.44890150       0.02557663 
Hf       0.21638444      -0.09833332      -9.05539684      -0.05779309      -0.11411491       0.87099140 
Hf       5.44052627       0.79862707      -3.62908324       0.21964940      -0.59678997      -0.37752889 
Hf       5.40070213      -0.05561910      -8.93232400      -0.47281001      -0.86463754      -0.33155230 
Hf       0.28838118       5.89454190      -3.74287766       0.18248671       0.05606213      -0.68385040 
Hf       0.20950845       4.99336869      -8.92660643      -0.39956644       0.60922963      -0.25615309 
Hf       5.40773938       5.90600472      -3.71319587      -1.16926919       0.47350772       0.18469862 
Hf       5.40297532       5.07146367      -9.05174568       0.27830022      -0.43663514       1.63808653 
Hf       2.33404272       1.21586146      -1.09432214       0.78356564       0.09849810      -0.52267498 
Hf       2.42974430       0.39484786      -6.38128478      -0.05263656      -0.95912870      -0.08939777 
Hf       7.59429124       1.18892737      -1.08745465      -1.15853681      -0.38346249      -0.28039334 
Hf       7.53837992       0.29810265      -6.31766468       0.16885894      -0.21411196      -0.08085987 
Hf       2.30787165       6.41506144      -1.09116367       0.64600527      -0.04462725      -0.72679630 
Hf       2.40500927       5.45698834      -6.38096200       0.24150264      -0.37716112       0.43152532 
Hf       7.56603857       6.42444003      -1.05020792      -0.09656520      -0.18280961       0.02589156 
Hf       7.67849170       5.44801659      -6.24651776      -1.60085064       0.63293237      -1.25999457 
Hf       4.93525713       3.50758804      -1.45538938      -0.36898301       0.44823108      -0.21360632 
Hf       5.05564241       2.58413911      -6.72190906      -0.12784598       0.91434473      -0.57621773 
Hf      10.11865819       3.47242900      -1.55235797       0.24460312       0.39683928      -0.48488208 
Hf      10.14623404       2.50555971      -6.83007811       0.79891561      -0.13556751       0.76381235 
Hf       4.94727361       8.54921036      -1.55718625      -0.20492001       1.10032258      -0.56679696 
Hf       4.97667534       7.65830122      -6.74770868      -0.40054453       0.20906814      -0.14911611 
Hf      10.17464100       8.60367477      -1.53600982      -0.31805071      -0.17927516      -0.37699118 
Hf      10.18336563       7.77716978      -6.84301441      -0.00566155      -0.37860280       0.54411706 
O       1.45603755       2.31565625      -2.85080844      -1.40941282      -0.11231225       1.16120194 
O       1.33162447       1.42726093      -8.06608601       0.01127023       0.34442170      -0.16727456 
O       6.59972742       2.28056418      -2.76982184       0.24676817       1.19464547       0.72656499 
O       6.50168221       1.45724988      -7.96996743       0.69479635       0.40596143      -0.18936150 
O       1.21984910       7.47522944      -2.79415243       1.05585910       0.95814631       0.18453793 
O       1.34302439       6.56322006      -8.02091553      -0.12000042      -0.25909119       0.13085556 
O       6.53446972       7.46243014      -2.66109521       0.19604694       0.79095426      -0.70443871 
O       6.49536325       6.53571552      -7.93987443       0.88059110       1.13574747      -0.46021107 
O       4.04971566       1.49959705      -5.01982703      -0.74142303      -0.34227592      -1.22008079 
O       3.84756250       0.69455523     -10.31647215       0.36595143      -0.80464297      -0.59936010 
O       9.10297236       1.46749513      -5.16669734       0.47944753      -0.09527781       0.02066349 
O       9.02959298       2.27808734      -0.02593298       1.06008032       0.51159507       1.86691226 
O       3.85894767       6.53753306      -5.10386468       0.44231822       0.09797068      -0.58665490 
O       3.92939709       5.66301140     -10.47934620      -0.68424656       0.01915270       0.76330716 
O       9.15010617       6.49151333      -5.07822718      -0.74339735       0.90955794      -0.28281170 
O       9.04145122       5.73175512     -10.32405872       0.57996135      -0.93597424      -0.34912534 
O       3.94972383       1.90552579      -2.40343501      -0.53202453      -0.23469471       0.29792109 
O       3.88742643       1.03517524      -7.72165107       0.13756240      -0.07865589       0.31991667 
O       9.04774784       1.83697385      -2.49000414       0.91122310       0.77781233      -1.19785595 
O       9.03038721       0.94344316      -7.81088682       0.06473525      -0.29359544      -0.06910711 
O       3.78641915       7.05666313      -2.58904954      -0.11404660       0.08100761       0.73127658 
O       3.87358271       6.16946548      -7.75172789      -0.37587360      -0.79774708      -0.30855590 
O       9.07483700       7.00929870      -2.45848580      -0.28140725       0.37435987      -0.26485216 
O       9.10384120       6.15038658      -7.79024120      -0.45957892      -0.56612365       0.99784159 
O       1.15414909       2.80004359      -0.19404556       0.17508382      -0.47851698       0.08928190 
O       1.26751437       1.81675443      -5.40686263      -0.28147076       0.78433630      -0.23339827 
O       6.37949328       2.76745443      -0.04380151       0.43026292       0.36686501      -0.67446753 
O       6.51520954       1.91272421      -5.37750215       0.13848887       0.42668243       0.18053134 
O       1.13445116       7.93649508      -0.09219388       0.79530828      -0.23991179      -0.19620084 
O       1.22399078       6.92637772      -5.47647647       0.00395666       1.30933123       0.61844250 
O       6.41982050       8.00320270      -0.09861162       0.01822656      -0.11532904      -0.10483435 
O       6.34105178       7.11986497      -5.27707991       1.44107441      -0.34158010      -0.02802078 
O       3.58146995       3.79408368      -6.00638996      -0.10483134      -0.34435629      -0.40036842 
O       8.64797355       4.66887751      -0.69983963       0.80774904      -0.15165400      -1.17125608 
O       8.70150248       3.78756275      -6.04121105       0.34151506      -0.66630300      -0.06852955 
O       3.45664178       9.79097016      -0.78486780      -0.29927684       0.27480045       0.06306594 
O       3.37829075       8.83120910      -6.09323872       0.57587411       0.35773957      -0.23360891 
O       8.64071073       9.70585578      -0.93400645      -0.58845220       0.82465133       0.78397113 
O       8.69662569       8.88500981      -6.00621691      -0.12391295      -0.30880804      -0.63403040 
O       0.80831560       0.08471893      -1.85466026       0.25045840      -0.25180773       0.27700070 
O       0.92536321      -0.78747330      -7.10098889      -0.63015692      -0.77811533      -0.07202847 
O       6.12475556       0.02019943      -1.79818780      -0.86105076      -0.84140316       0.04929213 
O       6.05913222      -0.84415500      -7.11437578       0.00312420      -0.53598083       0.69804257 
O       0.90719037       5.14512070      -1.82680987       0.15674208      -0.11583641      -0.00618756 
O       0.98215438       4.11613451      -7.11081114      -0.12991904       0.82651646      -0.49381178 
O       6.00284082       5.28403814      -1.81243436      -0.00100988      -1.25307974       0.87136934 
O       6.07781750       4.34530466      -7.08298239       0.32002281      -0.74935240       0.58114327 
O       1.89156100      -0.33818556      -4.39287563      -1.71095710       0.97496363      -0.08497314 
O       1.65535385      -1.35526339      -9.68628353       0.08159426       0.57886986      -0.46703704 
O       6.99063162      -0.35394987      -4.42837580      -0.40124106      -0.60454878       0.13530404 
O       6.86795912      -1.34382741      -9.69425432       0.17510007       0.36001132      -0.03562868 
O       1.75442116       4.69381439      -4.53860328      -0.47465022      -0.12482940       0.61168162 
O       1.66155592       3.78439790      -9.79403277      -0.32470984       0.92356702       0.06875357 
O       6.90369800       4.73140690      -4.38131092       0.59889460      -0.53027856      -0.38385220 
O       6.89596450       3.87546645      -9.69145507       0.42472141      -0.70746795       0.03470877 
O       4.24084576       4.22599419      -3.33162655       0.20000001      -0.03935147       0.15591114 
O       4.34282641       3.35194150      -8.66701821      -0.19480005       0.05082959      -0.15240744 
O       9.60802205       4.26516641      -3.49091528      -1.73004421      -2.39143905       0.77822204 
O       9.50581262       3.26154042      -8.61719808      -0.23343025       0.53088818      -0.75603946 
O       4.31954466       9.42859232      -3.42280765      -0.39379353      -1.27111020       0.10947282 
O       4.28988910       8.39119111      -8.63953314       0.32932784       1.33115757      -0.44782113 
O       9.50450832       9.40060212      -3.61498137       0.68976795      -0.64001917       1.29657025 
O       9.51018901       8.39123142      -8.67919710       0.09402260       1.24418501      -0.75895891 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0035883275884585923 0.0036451716147773163 -0.0021595375909756877 0.0036451716147773163 -0.0008024171014042549 0.002247161594582669 -0.0021595375909756877 0.002247161594582669 0.00020741373684136588" pbc="T T T" energy=-961.77414297 free_energy=-961.77414298 config_type=crystal 
Hf       2.76785894       2.93066347      -4.12867136       0.51646482       0.54220464       0.01071117 
Hf       2.85688154       2.02409755      -9.42324251      -0.30373949       3.12006574       0.35199314 
Hf       8.03607318       3.00081599      -4.12289803      -0.67155818       0.46497581      -0.35896367 
Hf       7.99338174       2.12341842      -9.41309422      -0.19029848      -0.18809801       0.99067248 
Hf       2.95316061       8.22697810      -4.14964817      -1.66357119       0.06395839       0.03536488 
Hf       2.79312336       7.28078914      -9.41509805       0.34201771      -0.25851862       0.62235477 
Hf       8.01494327       8.11204025      -4.17558860       0.19260023       0.16548844      -0.09225407 
Hf       7.96755407       7.34655159      -9.37980853       0.78834017      -0.83958324      -1.25078002 
Hf       0.19519177       0.75685778      -3.72300100       0.73661795       0.20380601      -0.25303673 
Hf       0.25613241      -0.08327356      -9.00092652      -1.16341434       0.18009482       0.25858761 
Hf       5.46062806       0.86295464      -3.67434066      -0.69479111      -0.24923234      -0.33191638 
Hf       5.39520193      -0.08035776      -8.98810961       0.61689657       0.07118959       1.24979771 
Hf       0.25167092       5.92894424      -3.73513190      -0.16086159       0.46273642      -0.18283825 
Hf       0.22446944       5.09478863      -8.94717539       0.18323074      -1.41334009      -0.44797486 
Hf       5.43446831       5.86852900      -3.71309296      -0.51623042       0.08621643       1.16869325 
Hf       5.37392395       5.06091831      -9.02201254       0.75580811      -1.17188986       0.23415185 
Hf       2.41817585       1.17644111      -1.13808816      -1.04757980       0.63599361      -0.05481032 
Hf       2.35791173       0.37636003      -6.36509341       0.50252587      -0.28861262       0.41171196 
Hf       7.56675072       1.25637828      -1.08249838       0.26696863       0.24412601      -0.42013328 
Hf       7.58470588       0.30803295      -6.28502802      -0.60323261       0.49099655      -0.71357280 
Hf       2.33184123       6.37061726      -1.10257697       0.48062659      -0.85453067       0.46078542 
Hf       2.40348543       5.41523806      -6.26664202      -0.63678258       0.39959738      -0.81372253 
Hf       7.58656387       6.39625610      -1.08794503       0.29904549      -0.06772548       0.38088545 
Hf       7.46492085       5.43088588      -6.38035538       1.21582171       0.52984406       0.05022803 
Hf       4.96336963       3.50808748      -1.46007264      -0.63845098       0.61028335       0.11888040 
Hf       5.02268315       2.55991594      -6.76616934      -0.61238753      -0.02427182      -0.41435640 
Hf      10.10763814       3.46504540      -1.56717997       0.07073905      -0.46872173       0.62210667 
Hf      10.13193772       2.59026172      -6.80244624       0.28690461       0.18959030      -0.15852660 
Hf       4.97643896       8.59519820      -1.55952956       0.58252420       0.08636399       0.92034801 
Hf       5.01913227       7.70098382      -6.74605495      -0.48907911       0.63913607      -0.72214138 
Hf      10.13778787       8.61726477      -1.54985243       0.67905246      -0.22223874      -0.43500643 
Hf      10.16534511       7.68527861      -6.82165244      -0.03276654      -0.12483046       0.44188822 
O       1.26438762       2.34409731      -2.80087932       0.54982832       0.06878666      -0.06972747 
O       1.43787240       1.51187312      -7.97980417      -1.28004819      -0.87590892      -0.43193453 
O       6.50813666       2.40602820      -2.67669142       0.78998547       0.13956927      -0.47040419 
O       6.53614391       1.51725080      -7.91841061       0.33931011      -0.36290080      -0.18799213 
O       1.37651688       7.49052286      -2.78291155      -0.13752923       0.00632510       0.14328133 
O       1.27660027       6.61677656      -7.95499895       0.45955801       0.33091739      -0.62062649 
O       6.57356186       7.45421874      -2.71828077      -0.31027781       0.48196098      -0.40772697 
O       6.55362381       6.60806883      -8.05047479      -0.49915751       0.57474796       0.85739660 
O       3.94712324       1.44450261      -5.16268591      -0.42312214      -0.03215946       0.61097498 
O       3.92770950       0.62434867     -10.33310445       0.48297858      -1.53556464      -1.30857999 
O       9.20734059       1.49668871      -5.09246892      -1.42252650      -0.00356072      -0.95523564 
O       9.05465988       0.45909869     -10.40304465       1.03114838       0.87663185       0.07363365 
O       4.03554445       6.63632264      -5.07439951      -0.88165242      -0.17095933      -0.53293341 
O       4.01346102       5.70513973     -10.35718775      -0.96720865       0.19890726      -0.67432108 
O       9.05840465       6.57223311      -5.22031616       0.87427767      -0.22337202       0.41488419 
O       9.23761001       5.63214057     -10.48966817      -0.59719045       0.47963469       0.28610206 
O       3.85678046       1.85933003      -2.49725301      -0.03823480       0.05222198       0.15421504 
O       3.93397339       1.01910985      -7.73519840      -0.54628181      -0.83562277      -0.12428516 
O       9.07063267       1.84597347      -2.54941173      -0.62052739       0.41447018       0.29324978 
O       9.04336293       1.02703873      -7.83270620       0.35956672      -0.54441032       1.09845336 
O       3.87297114       7.03648013      -2.44612461       0.08840659       0.28959420      -0.44723347 
O       3.79420615       6.18929908      -7.78624710       0.27712878      -0.13911405       0.62970195 
O       9.10342465       7.03594914      -2.58808192      -0.43663343      -0.15418765       0.49197537 
O       9.05661045       6.11170646      -7.85648257      -0.46063096       0.33737403       0.44148997 
O       1.19839221       2.70516169      -0.29495828       0.27525462       0.51815361       1.56042292 
O       1.25768889       1.91372818      -5.42367028       0.22989214       0.30568640       0.22674611 
O       6.40959781       2.82286345      -0.07796516       0.15435658       0.09987573       0.17739931 
O       6.36552571       1.94698563      -5.29109221       1.65063759      -0.11405161      -0.02664163 
O       1.31628174       7.93797820      -0.08512352      -0.28905549       0.54328389      -0.21076872 
O       1.27045732       6.98410437      -5.38750133      -0.07730641       0.24863022       0.34656466 
O       6.52854299       8.01200857      -0.13083298      -0.34789791      -0.09583622      -0.19359785 
O       6.50041252       6.99920637      -5.30624508      -0.55781880       0.54331130      -0.91201919 
O       3.54772009       3.79496799      -5.98330421      -0.01021441      -0.14119197       0.33453630 
O       8.52097682       4.59106451      -0.74083412       1.51278735       0.02726934      -1.48980156 
O       8.57933277       3.78542649      -6.09960617       0.59879613      -0.87006322       0.60470349 
O       3.40812586       9.71854451      -0.80809205       0.31423844       0.30609405      -0.20739612 
O       3.56542027       8.97199473      -6.01373197      -0.13276401      -0.59172744      -0.14744550 
O       8.65238444       9.80875453      -0.90185093      -0.04213356      -0.44763207       0.41139817 
O       8.63577711       8.90210072      -6.09221964      -0.03658897      -0.01371711      -0.01735134 
O       0.88850571       0.04897497      -1.81574751      -0.23899648      -0.55319271       0.11863156 
O       0.85622431      -0.87869276      -6.99627255       0.16019150       0.52367074      -0.84790202 
O       6.04233766       0.09925652      -1.80360348      -0.02903889      -0.51631112       0.46014345 
O       6.02018576      -0.80006073      -6.99914173       0.40861499      -0.39731979      -0.47240118 
O       0.92145895       5.08616030      -1.87254601       0.18715581       0.80515074       0.16910178 
O       0.92435576       4.26117414      -7.07051431      -0.06053881       0.16135372      -0.02646688 
O       6.07460150       5.20843242      -1.84271080       0.07718589      -0.46889266       0.86691252 
O       5.91157174       4.40369662      -7.08701839       0.23736657      -0.38262448       0.33833707 
O       1.71210065      -0.33696927      -4.46181050       1.12254737      -1.05551367       0.10510874 
O       1.80510865      -1.18198862      -9.63424179       0.47605056      -0.96959194      -0.02743940 
O       6.87490857      -0.41293624      -4.41289993       0.66982837      -0.16709963      -0.16685464 
O       7.05486817      -1.16722773      -9.69001502      -1.15367639      -0.65612741       0.92809287 
O       1.65263429       4.62428329      -4.43260481       0.12336149       0.38571339      -0.31088584 
O       1.75289420       3.80351392      -9.73486890      -0.10069219      -0.00975218      -0.08003821 
O       6.77289613       4.63384640      -4.48163162       0.55897290      -0.33033911      -0.24707138 
O       7.00737558       3.90745084      -9.65392199      -0.91568152       0.60517264      -0.00734262 
O       4.15219359       4.27297724      -3.13711025      -0.37316674       0.13302056      -1.83887725 
O       4.44676925       3.19045851      -8.76749379      -0.58050268       0.68989651      -0.10493767 
O       9.39111789       4.30107164      -3.33497540      -0.25494873      -0.26078598      -0.81313114 
O       9.48511162       3.31637608      -8.62566029       0.47992777       0.60925769      -0.63388039 
O       4.34364277       9.42235141      -3.36610669      -0.33953448      -0.42290537      -0.32853031 
O       4.40728115       8.42688348      -8.76541972       0.01620856       0.17621221       0.35609738 
O       9.57010517       9.30894835      -3.56870204      -0.35819979      -0.27938204       0.89236565 
O       9.47654243       8.52829706      -8.72515155       0.79552715      -0.33972148       0.41434368 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004402029194807734 0.002929355770811657 -0.0015092798500533457 0.002929355770811657 -0.000912975623916931 0.0018722481723033768 -0.0015092798500533457 0.0018722481723033768 -0.002348102812860618" pbc="T T T" energy=-961.81466458 free_energy=-961.81466458 config_type=crystal 
Hf       2.77002605       3.02079588      -4.09251858       0.63019412       0.25654334      -0.99624697 
Hf       2.85622321       2.05304192      -9.39051639      -0.74498302       1.60097016      -0.22422728 
Hf       8.07000092       3.09923647      -4.13401973      -0.66015509      -1.61138168      -0.28068387 
Hf       7.97961928       2.11599924      -9.36274686       1.35099675       0.60489722      -0.98312040 
Hf       2.87317549       8.16146710      -4.16032590      -0.05711373      -0.74037649       0.15386224 
Hf       2.80932370       7.33669376      -9.41770062       0.17231711      -0.95210937       0.67949796 
Hf       7.97739565       8.12911390      -4.11558458       0.34368159       0.52916297      -0.97571023 
Hf       7.98813101       7.27397911      -9.44000764       1.07902672      -0.43076762       1.02505797 
Hf       0.20696491       0.77632934      -3.76289199       0.17751639      -0.27704066       0.03383378 
Hf       0.18281371      -0.02734785      -9.01188588       0.60861370      -1.31795464       0.01335374 
Hf       5.41552503       0.75671188      -3.79016631       1.00299122       0.47803657       1.10092361 
Hf       5.42139451      -0.07845977      -8.96206039      -0.17584368      -0.38257135       1.11876831 
Hf       0.30212287       6.01991619      -3.67262245      -0.66107192      -0.72203293      -1.12611061 
Hf       0.19131141       5.03098488      -8.99731138       1.29345667      -0.48034107       1.20437415 
Hf       5.32418655       5.88548944      -3.69933467       0.59775159       0.85825083      -0.23998498 
Hf       5.47694664       5.00897934      -9.03642039      -1.77122242      -0.32978657       1.06764300 
Hf       2.43192637       1.25287040      -1.11416090      -0.81663131       0.30552365      -0.13925436 
Hf       2.39035449       0.23133500      -6.31276584      -0.11634801       0.60739015      -0.31935144 
Hf       7.52213220       1.19732641      -1.03998298       0.24578471       0.25816192      -1.81719566 
Hf       7.61205833       0.34113649      -6.33424111      -0.20925460      -0.28991115       0.22595015 
Hf       2.34928186       6.39784421      -1.13701332       0.42562012      -1.34027691       1.85937455 
Hf       2.33419993       5.49792208      -6.38127838       0.84058198      -0.30458321       0.46563544 
Hf       7.55587323       6.36118027      -1.11350566       0.52137767       0.40864515      -0.60878574 
Hf       7.55669666       5.45142280      -6.31747472       0.14122880       0.04981282       0.12246788 
Hf       4.98466090       3.50393051      -1.45663821      -0.62771537      -0.16206612      -0.49737845 
Hf       4.99042149       2.59576489      -6.78062844      -0.49507153      -0.00931789       0.72676972 
Hf      10.11514617       3.45930602      -1.58287782       0.32152104      -0.09228338       0.35468414 
Hf      10.20069913       2.50697186      -6.80505017      -0.20636317       0.84701130       0.49734304 
Hf       4.94434957       8.58281563      -1.47240631       0.57409016       0.30897009      -1.27835114 
Hf       4.99941273       7.66992955      -6.78587285      -0.44653527       0.21039444      -0.15915501 
Hf      10.19734140       8.65040696      -1.55347009       0.00396910       0.09445357       0.19068027 
Hf      10.16964618       7.69950754      -6.79933050      -0.66872512      -0.00414057       0.91119644 
O       1.27282475       2.35569496      -2.76051328       0.65745386       0.30242261      -0.35869742 
O       1.27903170       1.46149841      -7.96950688       0.79482643      -0.33394008      -0.60218059 
O       6.63067118       2.32542048      -2.75031406      -0.90237360       0.02531909       0.33123969 
O       6.64331824       1.55744030      -7.99310999      -1.06046833      -0.65146398       0.35116801 
O       1.44502498       7.50313904      -2.72325805      -1.04708528       0.49993045       0.15781152 
O       1.41281860       6.64570489      -7.92803240      -1.51421633      -0.14893069      -0.91670255 
O       6.49552897       7.50869352      -2.78263423      -0.10880193      -0.35711604       0.52320428 
O       6.41724953       6.56363158      -7.97170853       1.30648372       0.50919130      -0.82528099 
O       3.92565949       1.37217171      -5.05607399      -0.50167149       0.49285855      -0.42866261 
O       3.94812830       0.60653699     -10.43112059       0.45307025      -0.33697666       0.61486056 
O       9.13086958       1.39029623      -5.14448861       0.15518926       0.35778148      -0.19383085 
O       9.03973796       0.55102437     -10.48315172       0.97960812       0.13547203       1.01098027 
O       3.95578168       6.53346567      -5.15962037      -0.26192078       0.06863058       0.16523443 
O       3.97074360       5.71041462     -10.35280481      -0.16672876       0.24225595      -0.58559811 
O       9.11264967       6.61746569      -5.11240302      -0.08433686      -0.68028352       0.42867160 
O       9.19699424       5.73242890     -10.30618242      -0.90896163       0.15372001      -0.82797336 
O       3.94307165       1.87980712      -2.45904380      -0.61329317       0.29860429      -0.26609785 
O       3.94411889       1.06666207      -7.73167776      -0.67930778      -1.68548827      -0.14694753 
O       9.03315436       1.83208809      -2.55040466       0.76376432       0.55257918       0.22338966 
O       9.12889532       0.88896298      -7.80384030      -0.59279071       0.81716434       0.04324813 
O       3.84072537       6.91485344      -2.47684691       0.58325536       1.09548689      -0.12913728 
O       3.79529163       6.20551135      -7.78692953       0.74188038      -0.33048659       0.18999845 
O       9.09285855       7.07427025      -2.42716717      -0.01577515      -0.09763129      -0.44950650 
O       9.01849874       6.10659868      -7.71812277      -0.24114826       0.37801730      -0.44344021 
O       1.24642020       2.80220179      -0.17706307      -0.45675281       0.09378416       0.30549715 
O       1.26673718       1.82061675      -5.40979387       0.02709575       0.47281957       0.61871266 
O       6.48586008       2.78881333      -0.03013836      -0.66029457       0.35733005      -0.51618776 
O       6.44533512       1.89293550      -5.41587171      -0.01043384       0.09690715       0.47395714 
O       1.24739907       7.89410117      -0.10031366       0.39031120       0.63298774      -0.34107254 
O       1.22562216       7.04521715      -5.31013218       0.28764263       0.37604453      -0.41542853 
O       6.52005952       7.93302929      -0.18175946      -0.39699340       0.61144741       0.75867014 
O       6.41431604       7.05776306      -5.33687066       0.51092684      -0.44503498      -0.40907350 
O       3.45334629       3.70414408      -6.06518924      -0.16829405       0.24688805       0.64876649 
O       8.66275374       4.71820647      -0.80688070       0.54129867      -0.84876256      -0.15241991 
O       8.61759586       3.64854617      -6.05300142      -0.22027319       1.02557408      -0.11513971 
O       3.55839259       9.91226683      -0.76895385       0.09460795      -1.12492031      -0.12895347 
O       3.44086713       8.81617740      -6.00780964       0.81625199       0.31642646      -1.02230630 
O       8.64814987       9.76741250      -0.86214864       0.08943673       0.14326379       0.63272724 
O       8.63662475       8.89452924      -5.97201230       0.74086068      -0.25034006      -1.11079568 
O       0.97479618       0.01567354      -1.88742797      -0.24429312      -0.17904514       0.33295300 
O       0.88110741      -0.94708523      -7.03994920       0.78867118       1.44873325      -0.30101400 
O       6.08184603      -0.03203763      -1.79966733       0.05441855       0.34161957      -0.03891397 
O       6.11413574      -0.84107342      -7.08192057      -0.67503738      -0.13936931      -0.60905312 
O       0.92341326       5.14329318      -1.84058087       0.11948445       0.17357611      -0.03652013 
O       0.79270459       4.34364190      -6.98603805      -0.03074989      -0.58306195      -0.54474987 
O       5.98383095       5.26000143      -1.77700591       0.37991717      -0.55058045       0.47864997 
O       6.04511208       4.29900235      -7.09438487       0.46839784       0.18489315      -0.05851115 
O       1.78176467      -0.46020037      -4.44394617      -0.71542624       0.67342604       0.13647726 
O       1.77332256      -1.24585839      -9.69877283      -0.68626698       0.43321711       0.01897593 
O       6.87515866      -0.44735830      -4.55666649      -0.25886593       0.02203164       1.10793015 
O       6.90751300      -1.33358873      -9.63333696      -0.09563605       0.16600057      -0.49438955 
O       1.80016162       4.81466119      -4.47200216      -0.54465445      -0.78830929       0.95899940 
O       1.76775637       3.75877647      -9.72563248      -0.68753811       0.62461924      -0.00178416 
O       6.83554421       4.68971340      -4.40222031       0.17565880       0.24319849      -0.31560942 
O       6.99359712       3.90183501      -9.72796991      -0.42593652      -0.58661222       0.60412789 
O       4.17710442       4.27347079      -3.24189044      -0.01181339      -0.67007160      -0.41004622 
O       4.25547073       3.29362569      -8.63712913       1.04026903       1.02024188      -0.81090067 
O       9.53499677       4.30102641      -3.46692523      -0.11223661      -0.48027501       0.43952581 
O       9.43836662       3.39279769      -8.59243486      -0.02936339      -0.98399965      -0.63241403 
O       4.34830355       9.33843061      -3.44929569      -0.26230429      -0.69249986       0.65127673 
O       4.25646082       8.51675019      -8.69039535       0.88737080       0.62700741       0.41809464 
O       9.54417244       9.35897275      -3.50980626      -0.08789350      -0.60047204       0.91497225 
O       9.56838588       8.49045001      -8.64789528      -1.11235690      -0.74541854      -1.04389680 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004879306518713621 0.0007041029592834264 -0.0015970846514551764 0.0007041029592834264 -0.005082753607984741 0.0004961303701979472 -0.0015970846514551764 0.0004961303701979472 -0.0051818253881738335" pbc="T T T" energy=-961.9784588 free_energy=-961.9784588 config_type=crystal 
Hf       2.79599877       3.02209227      -4.11707000      -0.03824218      -0.68841078      -0.70742442 
Hf       2.88036994       2.07195755      -9.38077615      -1.12419388       1.10441918      -0.80935362 
Hf       8.04985352       3.08877662      -4.18351413      -0.68685051      -1.27848323       1.19106979 
Hf       8.01430988       2.14053737      -9.34492863      -0.22750952       0.01481087      -1.97263859 
Hf       2.87507203       8.16848720      -4.16394797      -0.35311736       0.34118266       0.41567070 
Hf       2.85473573       7.35985368      -9.38187819      -0.33543422      -0.53272427       0.20638846 
Hf       7.94982459       8.08650548      -4.13930352       0.82845780       0.71889264      -0.34661175 
Hf       8.02807463       7.24983633      -9.43498952      -0.84446402       0.40631458       1.48683967 
Hf       0.19725861       0.75592628      -3.74629959       0.48711041       0.02875551       0.49532430 
Hf       0.20501725      -0.03066263      -8.98175781       0.37390600      -1.48466762      -1.14102668 
Hf       5.42149748       0.75988975      -3.78028011      -0.31696234       0.35114673       1.43570786 
Hf       5.45096903      -0.07232802      -8.93913079      -0.06856245      -0.19540521       0.10706935 
Hf       0.31580865       6.01875954      -3.67830148      -0.84065020      -1.31594260      -0.52686641 
Hf       0.18880922       5.03145057      -8.97879937       0.73153232      -0.38627035      -0.35716814 
Hf       5.34695865       5.88482428      -3.71428814       0.12218691       0.01243742       0.79644647 
Hf       5.44804707       5.01882222      -9.03984421      -0.09869420       0.25469334       0.63810232 
Hf       2.39763060       1.27422158      -1.10855474      -0.22717956      -0.34581250      -0.29341584 
Hf       2.35501190       0.22357308      -6.32779564       0.78536790       1.99767725      -0.57572756 
Hf       7.54067410       1.16580583      -1.04564132      -0.13048342       0.87904908      -0.69971758 
Hf       7.61461726       0.35985160      -6.33203935      -0.94835327      -1.31922031      -0.03067169 
Hf       2.35730649       6.41044950      -1.15172138       0.18225918      -0.84656298       2.40245378 
Hf       2.34403071       5.48626604      -6.36771729      -0.10443335      -0.48197576       0.17155976 
Hf       7.57783946       6.38658766      -1.15794277       0.27107188      -0.79031020       1.35123226 
Hf       7.58623554       5.46543558      -6.30802504      -0.81072594       0.31183970      -1.06057917 
Hf       4.94935946       3.49462807      -1.46418593      -0.70883778      -0.64838946      -0.37074454 
Hf       4.93613313       2.58128017      -6.79762279       0.19832874      -0.17631162       0.45734506 
Hf      10.12003823       3.45567555      -1.58280358       0.46535411       0.29603357       0.90381129 
Hf      10.19997004       2.50718813      -6.78818350       0.22682576       0.67169731      -0.48340630 
Hf       4.91711962       8.61186648      -1.45200945       1.06321284      -0.07767527      -0.56523311 
Hf       4.95922421       7.69758436      -6.79623294       1.50288074      -0.09908085      -0.68144390 
Hf      10.19178343       8.64103742      -1.54857157      -0.27538986      -0.21101751       0.73021716 
Hf      10.16439160       7.69446039      -6.78155070      -0.12122871       0.73048442       0.02878660 
O       1.32767210       2.36518931      -2.81153069      -0.11082943      -0.40530782       0.21698979 
O       1.35943523       1.45198072      -8.02602785      -0.54755702       0.23567035       0.12561422 
O       6.51160068       2.24171821      -2.69868762       0.61732751       0.76870011      -0.93286999 
O       6.58705012       1.47666032      -7.94363543      -0.36344351       0.10276554      -0.16028185 
O       1.39091793       7.52705851      -2.74041821       0.29695354       0.33547402      -0.29195906 
O       1.30087221       6.62402466      -7.93910464       0.25645975      -0.09254124      -0.64232748 
O       6.52167158       7.36270110      -2.70210409       0.41806131       0.75378171      -1.30938396 
O       6.49110603       6.55672140      -8.07867400       0.02646606       0.13588772       0.33399369 
O       3.89573513       1.45473442      -5.11506618       0.29167952       0.03323529      -0.13045804 
O       3.90569246       0.54442938     -10.39006256       0.10756387       0.18222813       0.07007828 
O       9.09520115       1.31369321      -5.09808621       0.01008574       0.85773836      -0.68321276 
O       9.21521841       0.53917908     -10.46046594      -1.51641520      -0.06651469       0.70544064 
O       3.95557294       6.63893417      -5.07208917       0.03381962      -0.46616662      -0.55461240 
O       3.91247535       5.71200149     -10.33052320      -0.34230256      -0.08221996      -0.15854951 
O       9.17140347       6.59130293      -5.02533595      -0.07986797      -0.37022693      -0.69246671 
O       9.05662531       5.74558257     -10.32826210       0.92163298      -1.30224260      -0.40735947 
O       3.89278865       1.87606566      -2.49273765      -0.35671879       0.05666717      -0.03034991 
O       3.82636017       0.88004789      -7.76788934       0.76085085       1.03706744       0.16505086 
O       9.08826178       1.93530109      -2.54419640      -0.55485057      -0.95114912      -0.05725911 
O       9.07942733       0.94978314      -7.85492397      -0.21165576       0.34067958       1.26685012 
O       3.88463964       7.02900721      -2.44095444      -0.31720657      -0.35377355      -0.45157763 
O       3.85599381       6.13117050      -7.73187979      -0.27523537       0.29889335       0.01837575 
O       9.16898284       7.02422095      -2.46785211      -1.08233544      -0.24665210       0.22336817 
O       8.96129165       6.24900173      -7.67195411       0.64113860      -0.93485993      -0.32391443 
O       1.19677537       2.72757471      -0.23602270       0.86158153       0.57516993       0.76693353 
O       1.26486973       1.88783482      -5.44691711      -0.59877645       0.17425522       0.39381248 
O       6.37365102       2.83472698      -0.11509597       0.99397172      -0.36629466       0.69398377 
O       6.40317390       1.87892510      -5.39578724       0.41457853      -0.03559134       0.33579339 
O       1.22025380       7.89017764      -0.10614894       0.28809976       0.31479182      -0.08771238 
O       1.34433336       7.05380484      -5.35941489      -0.63471526       0.50584555      -0.00048807 
O       6.42803175       7.91100967      -0.17135453       0.07739486       0.16174703       0.07769382 
O       6.49067452       7.08473006      -5.46109395       0.07119490      -0.41376216       0.82797728 
O       3.49540849       3.81040843      -6.03743378       0.09924472      -0.23029273      -0.24499500 
O       8.62019499       4.61511810      -0.77499253       0.03410161       0.34423909      -0.73393253 
O       8.60132445       3.66499563      -6.05987112       0.65570744       0.03079312      -0.23050251 
O       3.63258231       9.87173997      -0.66872881      -1.18205416       0.57114776      -0.07024480 
O       3.59126405       8.94118280      -6.09775880      -0.80607090      -0.19825927       1.28488149 
O       8.61405516       9.72289691      -0.80665777       0.48631086       0.76065502      -0.81174505 
O       8.70082254       8.88606213      -6.01718655      -0.13918488       0.35542819      -0.00735784 
O       0.98346179      -0.05078510      -1.87980370       0.00233479       0.71821967      -0.08017224 
O       0.90363045      -0.83990028      -7.07700577      -0.91968454      -1.04082714      -0.36822126 
O       6.09627669      -0.02267353      -1.79220320      -0.00915658      -0.15360757      -0.32543236 
O       6.14675036      -0.89705582      -7.12619208       0.27154567       0.35246601       0.41202716 
O       0.87850921       5.22278176      -1.75460197      -0.04361573      -0.23989751      -0.90306785 
O       0.76164811       4.31260972      -7.05586736       0.41425054      -0.11109487       0.22775904 
O       6.00408818       5.16263871      -1.78939513       0.31001771       0.07870992      -0.00925278 
O       6.10519136       4.26265653      -7.01544556      -0.39654621      -0.02012802      -0.54250171 
O       1.75761461      -0.37478740      -4.46049635      -0.07740582      -0.79458603       0.18825693 
O       1.68093621      -1.30227184      -9.76911561       0.07531257      -0.22923172       0.57357515 
O       6.80056528      -0.53287225      -4.46584388       0.52155237       0.27836487      -0.32853486 
O       6.92910154      -1.29585351      -9.64617403      -0.06635604       0.28510748      -0.77396366 
O       1.71176286       4.72752892      -4.48018758      -0.33034509       0.31188734       0.26299414 
O       1.61244214       3.72357381      -9.66501071       0.91489143       0.49026417      -0.41399885 
O       6.87323386       4.76164528      -4.43609751       0.25263973      -0.44569031       0.37947994 
O       6.97132791       3.90453841      -9.69754006       0.02938837      -0.62590399       0.08814340 
O       4.13477405       4.25293204      -3.30925159       1.11660853       0.79020422       0.06916221 
O       4.39396494       3.25916600      -8.75900281      -0.36967100      -0.39307908       0.53683153 
O       9.55382253       4.20893940      -3.45856487      -0.14859392       0.73060868      -0.32764449 
O       9.47161857       3.32535859      -8.73205600       0.33553996       0.00495217       1.00950427 
O       4.25804056       9.33331025      -3.32691305       0.24753712       0.53580116      -0.51858132 
O       4.31469427       8.55806039      -8.63509108      -0.66272127      -1.07652007      -0.10261612 
O       9.53736233       9.29166730      -3.43124518      -0.38672633       0.34901768      -0.21915586 
O       9.49784098       8.45585999      -8.72095803       0.63459012       0.36693576       0.50402337 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007560340565918212 0.0009247111590357818 -0.0002506851584187091 0.0009247111590357818 -0.0020180935534969456 0.0001672045556789091 -0.0002506851584187091 0.0001672045556789091 0.005936863917818567" pbc="T T T" energy=-961.78031692 free_energy=-961.78031692 config_type=crystal 
Hf       2.82778933       2.98679142      -4.21266060      -0.05511669      -0.57053219       1.23405946 
Hf       2.79293717       2.07008992      -9.41971337       0.24375520       1.26751306       0.58994068 
Hf       8.02650580       3.04072492      -4.19840102      -0.31343041      -0.99816850       0.38612094 
Hf       8.03829899       2.18584746      -9.35589649       0.25736896      -0.59624634      -0.74689061 
Hf       2.92906240       8.20236429      -4.12595811      -0.65588347      -0.04567073      -0.31179328 
Hf       2.79156710       7.24225525      -9.44263300       1.23841883      -0.29029462       0.46082375 
Hf       7.98296423       8.15448247      -4.19428164       0.80398604      -0.14682583      -0.14801030 
Hf       8.00387916       7.22916802      -9.37650347       0.63403888      -0.28259487      -0.46425933 
Hf       0.15480698       0.80856833      -3.67527762       0.66354085      -0.66331744      -0.52885245 
Hf       0.20026681      -0.12607389      -8.95543893      -0.26578892       0.03220911       0.97261766 
Hf       5.46657214       0.83497995      -3.71988043       0.31146402       0.25306385       0.09715848 
Hf       5.48867011      -0.08736327      -9.00757014      -0.72323973      -0.31619827       0.48856699 
Hf       0.23789266       5.89762889      -3.76497226      -0.26622440       0.29571151      -0.12940441 
Hf       0.25532716       5.02670515      -9.01044730      -0.38442183      -0.09605026       0.73226100 
Hf       5.45543353       5.91242144      -3.68788463      -0.50544960       0.45096039      -0.40279378 
Hf       5.42730513       5.07896244      -8.88204341      -0.94978629      -0.96880371      -0.84954449 
Hf       2.31716431       1.21945809      -1.00410973       1.26580423      -0.29813414      -1.70384241 
Hf       2.34804874       0.34560871      -6.30877772       0.48210663      -0.66492414      -0.24356171 
Hf       7.59603681       1.21132423      -1.08998603       0.06240844       0.56189444      -0.14981955 
Hf       7.54172580       0.37217123      -6.37455044       0.72803371      -0.35093180       0.14522168 
Hf       2.42438385       6.42639680      -1.15233829      -0.93567317      -0.67489056       0.38968542 
Hf       2.38518552       5.48861872      -6.28982122      -0.30258576      -0.47847836      -0.50856457 
Hf       7.51417438       6.37376196      -1.07134361       1.66178371       0.24059620      -0.00103837 
Hf       7.51701966       5.42825636      -6.36336879       1.26176409       0.23284636       0.89462418 
Hf       4.91773982       3.50949572      -1.50572687      -0.19376962      -0.75180954      -0.22404833 
Hf       4.95348534       2.53219839      -6.82482571      -0.39233095      -0.14262082       0.50952902 
Hf      10.17131984       3.47125494      -1.55322837       0.07015323      -0.22537794      -0.41980321 
Hf      10.16064610       2.53776025      -6.72553292      -0.23957421       0.57036638      -1.36668087 
Hf       4.98254523       8.63484354      -1.52123497       1.73406496      -0.53186645      -0.25581378 
Hf       4.96573477       7.75726579      -6.79859368       0.23967776       0.08578149       0.21440976 
Hf      10.08828081       8.60797679      -1.57450182       1.19673604      -1.02251274       0.26576022 
Hf      10.15065303       7.64204048      -6.80719922      -0.10819431       0.48110607       0.89932802 
O       1.30781282       2.26286161      -2.70226853       0.55066241       0.55252605       0.35712570 
O       1.30068622       1.45148618      -7.93973226       0.03613135      -0.17315309      -0.12941058 
O       6.65620211       2.28180282      -2.72789153      -0.56632170       0.76337174      -0.35250780 
O       6.60725945       1.54285752      -7.95241980      -0.96320985      -0.27392319      -0.63477556 
O       1.34519700       7.41899406      -2.84078563       0.90438117       0.62671086       0.98467590 
O       1.43287103       6.62363957      -8.02307025      -1.12467679      -0.52896057       0.45558067 
O       6.59062490       7.44177277      -2.70616015      -0.46256480       0.53817314      -0.01028113 
O       6.61292372       6.54985553      -7.88721274      -0.72891903       0.78894427      -0.74581023 
O       3.95951793       1.39428679      -5.16852843       0.04867250       0.08859893       0.26320804 
O       3.99201462       0.65045001     -10.40898598      -0.95925691      -0.25928570       0.10682628 
O       9.01130845       1.41503946      -5.16237058       1.71241442       0.01446749       0.15636127 
O       9.10433422       0.58151571     -10.41745785       0.63035748      -0.37034752       0.23081804 
O       3.95523598       6.58023907      -5.10095518       0.19592142      -0.37181366      -0.11354502 
O       3.95875663       5.63288155     -10.38938696      -0.42635583       0.16823422      -0.07603773 
O       9.09688957       6.49798868      -5.13199343      -0.01435528       0.37017633      -0.51298826 
O       9.21345434       5.70558776     -10.41765358      -0.71043878      -0.24363918       0.24548558 
O       3.88660809       1.84386014      -2.52796197      -0.24755172       0.27525787       0.48734424 
O       3.87236995       0.97691653      -7.74077022      -0.20534958      -0.30027069      -0.62482463 
O       9.05931816       1.85738868      -2.57839093       0.43044245      -0.04991392       0.78892807 
O       9.04781974       0.97609416      -7.81127325       0.52061769      -0.23478421       0.25613515 
O       3.92589556       7.06483739      -2.54456151      -0.55862855      -0.14688118       0.71428234 
O       3.85738091       6.19103466      -7.69330925       0.52886045      -0.26300210      -0.68844599 
O       9.03044124       7.08341137      -2.56306186      -0.11977959      -0.84442836       0.40525713 
O       9.07188927       6.07550890      -7.76710778      -0.25166968       0.09946757      -0.01974945 
O       1.25487676       0.99372756     -10.49041098      -0.40786746      -0.09140153      -1.19779896 
O       1.23779834       1.91970938      -5.36838376      -0.27728427      -0.37491226       0.66058161 
O       6.39973949       2.73869420      -0.13017565       0.69749264       0.75772707      -0.03986008 
O       6.45593499       2.00468148      -5.38860180      -0.52634355      -0.51910786       0.19071846 
O       1.30878577       8.00404526      -0.12960179       0.12845580      -0.38448782      -0.43654207 
O       1.24042635       6.99864625      -5.34708679       0.14448875       0.08365076      -0.64680766 
O       6.44420154       7.89886504      -0.03509296       0.04774818       0.84338221      -0.29239195 
O       6.51309813       7.09275121      -5.29116225      -1.06409919      -0.55564714      -0.76737126 
O       3.35892968       3.64678662      -6.09300298       0.55830515       0.60241921      -0.15560540 
O       8.72032585       4.68903211      -0.88350967      -1.02401718       0.30033513       0.57870957 
O       8.53621917       3.66498239      -6.22385560      -0.05888744       0.47941655       0.99380777 
O       3.61589394       9.80699200      -0.87531427      -2.31037329       1.21429986       1.07081211 
O       3.50838919       8.87619470      -6.03094547      -0.16990943       0.46039720      -0.15722855 
O       8.63831016       9.73851222      -0.85660885      -0.52380848       0.51258342       0.58124475 
O       8.61777540       8.89143145      -6.11974650       0.85733505      -0.70327035      -0.14388356 
O       0.88930441      -0.04804848      -1.73966783       0.41495224       1.12146651      -0.12400603 
O       0.91299886      -0.93618747      -7.00128216      -0.40223108       0.43815324      -0.69128364 
O       6.12390927       0.04552444      -1.79116721      -0.05905996      -0.38729235      -0.01031604 
O       6.07611059      -0.83877016      -7.12699055      -0.06743074       0.05085055       0.18927548 
O       0.84674109       5.13610557      -1.92516213       1.20731481       0.51329120       1.28078168 
O       0.81994067       4.29165348      -7.05125130       0.45763094       0.38989799       0.14656231 
O       6.03094647       5.22003336      -1.79466548      -0.27880710      -0.73950185       0.86919234 
O       5.94676388       4.28715883      -7.03269561       0.41960351       0.55559407       0.52525348 
O       1.81776320      -0.41280983      -4.41549463      -0.66192516       0.70090236       0.37543429 
O       1.86390837      -1.26639314      -9.58687103      -0.91912968       0.38336645      -0.57652390 
O       7.00550782      -0.37866598      -4.53564369      -1.08677017       0.35973078       1.10581165 
O       7.03603877      -1.27361541      -9.61756939      -0.27224748      -0.26881266      -0.24733966 
O       1.76309601       4.67642083      -4.41986403      -0.10742335       0.49694522      -0.34801520 
O       1.66661589       3.82729476      -9.74758332       0.88932515      -0.64415366      -0.64867899 
O       6.93419611       4.71262689      -4.32429663      -0.04071466       0.47219939      -1.05986906 
O       7.05041956       3.95291955      -9.51776458      -0.73097365      -0.26085870      -0.93205329 
O       4.29173847       4.17518808      -3.37684680       0.32280793       0.58657979      -0.27772941 
O       4.26429230       3.33146696      -8.70018945       0.27730480       0.01501505      -0.25166250 
O       9.62550082       4.11131467      -3.56086766      -0.43432454      -0.19061140       0.25746760 
O       9.45234073       3.34344561      -8.64481567       1.19395419       0.07963523      -0.20384033 
O       4.53489205       9.36752044      -3.44501208      -1.39660638      -1.16731405      -0.36710242 
O       4.34107782       8.49379024      -8.74555188       0.30072829      -0.55452603       0.26700403 
O       9.58185056       9.33581442      -3.45006360      -0.48811397       0.20069909      -0.46856907 
O       9.53338638       8.37989828      -8.68778123       0.55357702       0.60528553      -0.38248795 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0039618270904680526 -0.004570695593063544 0.00019332982767239243 -0.004570695593063544 -0.004293468573124745 0.0025438481357722732 0.00019332982767239243 0.0025438481357722732 -0.004034693800969487" pbc="T T T" energy=-961.84085965 free_energy=-961.84085965 config_type=crystal 
Hf       2.85611317       3.06671302      -4.22052218      -0.40231690       0.06179950       0.79613590 
Hf       2.84798537       2.11963725      -9.37245486      -1.53379020      -0.10697580      -0.97352757 
Hf       8.00801886       2.97638157      -4.23418271       0.01629626      -0.07519964       2.29703194 
Hf       7.99128093       2.07121010      -9.37143095       0.01487233       0.27013446      -0.83238228 
Hf       2.73948658       8.16681451      -4.19330288       0.12004882      -0.61362495       0.38629445 
Hf       2.84141018       7.15424031      -9.47210940      -0.94192621       1.28507181      -0.13190429 
Hf       8.04807293       8.21340254      -4.19040430       0.00379754      -0.00624541       0.43782766 
Hf       7.91709163       7.29911070      -9.41895313       1.12226756       0.11299942      -0.27679146 
Hf       0.27731074       0.84447998      -3.72278763      -0.90646749      -0.35708240       1.04993705 
Hf       0.31050493      -0.15442084      -8.88830670      -0.76636609      -0.00360103      -2.52112825 
Hf       5.36797167       0.79558772      -3.67477906       1.10193680       0.20174565       0.46911696 
Hf       5.36765372      -0.16427586      -8.95605364      -0.77788646       0.51633309      -0.55328696 
Hf       0.17778210       5.86340907      -3.70845086       0.48747338       0.27646785      -0.01181596 
Hf       0.14095194       5.06078096      -8.93615912       2.01808260      -0.26046767      -0.82039536 
Hf       5.56050809       5.96838288      -3.71911914      -2.48638876      -0.71777830       0.50990220 
Hf       5.35844148       4.98525661      -8.93194597       0.39602563       0.60381633      -0.25939773 
Hf       2.35586795       1.18670041      -1.09138765       0.65137857       0.28158888       0.76040257 
Hf       2.36493515       0.36468127      -6.34515248       0.29062113       0.09149797      -0.15256260 
Hf       7.62459163       1.28551434      -1.07110713      -0.51658875       0.15301360      -0.62477012 
Hf       7.54786688       0.37208825      -6.35900233      -0.26661776      -0.91905773       0.31288915 
Hf       2.46066073       6.32400446      -1.16794080      -1.16407024       0.18244436       0.83154936 
Hf       2.37677998       5.47279130      -6.32719858      -0.12945056       0.49472679      -1.00169936 
Hf       7.60237001       6.39228869      -1.01762608      -0.51441577      -0.23257683      -0.66138451 
Hf       7.62957689       5.52475769      -6.32168346      -1.13009530      -0.07940250      -0.37005822 
Hf       4.83970340       3.52333947      -1.50357247       1.27563084       0.22814894       0.74700226 
Hf       4.97730343       2.52577385      -6.80395444       0.01713926       0.55602690       0.25261768 
Hf      10.24282201       3.48551419      -1.47633647      -0.84588461      -0.92057735       0.27678920 
Hf      10.12971461       2.57983057      -6.77929224       1.07795944      -0.42864414      -0.05074312 
Hf       4.98147243       8.60469026      -1.62207115       0.13158925       0.75767375       1.38513061 
Hf       4.89686551       7.70290372      -6.76980191       0.06700058       0.16747459      -0.41278352 
Hf      10.16024566       8.59750044      -1.53222447       0.69593608       0.01497770      -0.32838938 
Hf      10.23107235       7.73220820      -6.78643075      -0.89693260      -0.29357449      -0.94967082 
O       1.38008231       2.32345940      -2.67872097       0.33943768       0.61444288      -0.41199822 
O       1.28475520       1.41095666      -7.88621204       0.45437585       0.87154184      -0.03698241 
O       6.60509266       2.34725943      -2.71392397      -0.23278057       0.00518440      -0.63343056 
O       6.44819048       1.49590408      -7.96345129       0.76731708       0.04986945      -0.08822783 
O       1.30927889       7.38852643      -2.79949345       0.40787943       0.68720918       0.20705942 
O       1.41468875       6.56663525      -8.00999976      -1.25841919      -0.07798252       0.42606387 
O       6.58099881       7.45720228      -2.71189578       0.29494195       0.91272188      -0.10320233 
O       6.48019227       6.64502658      -7.97897515       0.58722118       0.00777118       0.11316779 
O       3.93200796       1.44501926      -5.20392055       0.30157835       0.23833316       0.59605799 
O       3.92112828       0.56168905     -10.37470283      -0.18105804       0.59607696      -0.10509553 
O       9.15495407       1.40178342      -5.06798491      -0.51631238       0.27544410      -0.91362284 
O       9.14881019       0.52548859     -10.37158489      -0.39359558       0.54825361       0.43585849 
O       3.86806047       6.55139445      -5.14095285       0.48725933       0.40069592      -0.03975421 
O       3.88077778       5.64391305     -10.48506346       1.16802244      -0.29572514       0.65598790 
O       9.13478828       6.54598826      -5.10347805      -1.00901239       0.19215683      -0.66143702 
O       9.15868845       5.72909324     -10.41483176      -0.64125519      -0.39816232       0.53964326 
O       3.92926721       1.90983252      -2.46248967      -0.45947105      -0.31565560      -0.85072963 
O       3.84893797       0.94120311      -7.77869497      -0.05716865       0.42672147       0.33115348 
O       9.10234863       1.87900574      -2.42133389       0.25625610      -0.13339455      -0.58246252 
O       9.02265974       0.94436677      -7.75890704      -0.16728268       0.45926168       0.17051144 
O       3.84034187       7.13575324      -2.52568408       0.20193595      -0.81318798      -0.70254148 
O       3.81132905       6.19335547      -7.81857483       0.90470976      -0.89746241       0.46166805 
O       9.10999028       7.00572419      -2.54278229      -0.69616207      -0.11947776       0.54767071 
O       9.10568766       6.10514912      -7.74246701      -0.58397454       0.42320058       0.13266474 
O       1.29503400       1.02096323     -10.49793045      -0.31897712       0.09848012      -0.81008141 
O       1.23919947       1.96006893      -5.29373825       0.26476626       0.42106565      -0.56050925 
O       6.38414553       2.91979352      -0.07698829       0.83977738      -0.68506641       0.00903507 
O       6.48908003       1.90335127      -5.34958026      -0.59001063       0.57762458      -0.26900048 
O       1.29348086       8.00526564      -0.12805852      -0.50339583      -0.61501806      -0.61145152 
O       1.14380222       7.05609192      -5.39224665       1.15569777      -0.09442792       0.37325574 
O       6.47784054       7.98208301      -0.10180832      -0.42220467      -0.30208155       0.11015805 
O       6.40081946       7.06557812      -5.28070030       0.66603283       0.55997980      -1.32932905 
O       3.45838288       3.76672427      -6.16330955       0.10959560      -0.49370376       1.23069801 
O       8.71338316       4.74842360      -0.73825497       0.46863330      -0.95756300       0.05988115 
O       8.63143459       3.71197561      -6.08055034      -0.39221919       0.68346668      -0.03966535 
O       3.60862561       9.86644742      -0.73666098       0.14714409      -0.40289316      -0.73654962 
O       3.39417263       8.87262399      -6.04065778       0.52561165       0.18937745      -0.29653042 
O       8.69114585       9.78793473      -0.83962384      -0.59580145       0.43426962       0.27799297 
O       8.71770698       8.94972750      -6.05129203       0.00813134      -0.41277142      -0.37732573 
O       0.94782526      -0.02295040      -1.85069828      -0.27097514      -0.25925439      -0.61657708 
O       1.02018535      -0.95765802      -7.19264798      -0.03085008      -0.21471355       1.21625913 
O       6.15602494       0.01989237      -1.79538645      -0.67452386      -0.24097003      -1.06949857 
O       6.04208590      -0.83417733      -7.10674521       0.15241216      -0.50941235       0.56042346 
O       0.95197514       5.09687199      -1.85744302       0.31345202       0.38578196      -0.11611459 
O       0.88216545       4.24608668      -7.06271678      -0.17090238       0.16221743       0.02971770 
O       6.02887017       5.20041973      -1.85311415       0.75863160       0.11061074       0.84592619 
O       5.99519554       4.38866190      -7.02499480       0.25989108      -0.76936465      -0.04245702 
O       1.69298282      -0.33603763      -4.54028620       0.08491979      -1.03141942       0.62560678 
O       1.70547383      -1.33877225      -9.80117705      -0.09998094      -0.31479624       0.65314379 
O       6.83908065      -0.39253261      -4.50112312       0.34516065      -0.65904091       0.28352231 
O       6.81693820      -1.30808306      -9.71672515       0.93424315      -0.29806922      -0.07617100 
O       1.82867758       4.80199030      -4.46399651      -0.81356998      -0.44314835       0.41290325 
O       1.70118295       3.82849086      -9.82295064       0.08166754      -0.25792389       0.65031266 
O       6.93985924       4.76356081      -4.49008952       0.50612831      -0.88534820       0.30825254 
O       6.85748612       3.80080505      -9.64796847       0.08903507       0.36320225      -0.10908376 
O       4.23901977       4.29378908      -3.31700827      -0.09246154      -0.05844756      -0.82979853 
O       4.17199770       3.36097906      -8.58695167       1.04845259       0.31683389      -0.24817318 
O       9.59839586       4.08456658      -3.42383986      -0.48041885       0.40542604      -0.49767264 
O       9.48117359       3.35173574      -8.61078348      -0.54937370      -0.62050034      -0.41661627 
O       4.20987126       9.38163133      -3.45837345       0.69648593       0.63626072       0.29223096 
O       4.15947926       8.48269032      -8.65848081       1.14485925       0.47475052       0.63071830 
O       9.56493454       9.32042659      -3.51598973       0.10774315       0.40584230       0.60323159 
O       9.58703262       8.42905778      -8.77880838      -0.98931221      -0.60107894       0.79194704 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0030529093712262966 -0.0007686611975308134 0.0017670500263487557 -0.0007686611975308134 0.002893500479170143 0.0017710761367764432 0.0017670500263487557 0.0017710761367764432 -0.005939290360664836" pbc="T T T" energy=-961.67010775 free_energy=-961.67010775 config_type=crystal 
Hf       2.84184720       2.93780490      -4.10542369      -0.83835223       0.80438022      -1.45255380 
Hf       2.80161192       2.13865951      -9.37751530      -0.68445150      -0.60299626      -0.29678962 
Hf       7.99817323       3.05069985      -4.09495618       0.63190796       0.20608934      -0.86830106 
Hf       8.00990647       2.13771514      -9.41350480      -0.13003606       0.33447629       0.29200132 
Hf       2.82770174       8.21135605      -4.11430792       0.42128506      -0.23545751      -0.58536613 
Hf       2.87145881       7.20399435      -9.43885153      -1.86693744       0.63911793       0.24136211 
Hf       7.99262616       8.09124145      -4.26507396       0.80794124       0.57670592       1.13931384 
Hf       8.02252247       7.29493934      -9.42398827       0.13492332      -0.99988351       0.68363434 
Hf       0.26688699       0.74111666      -3.71474355      -0.85225138       0.20109862      -0.44090502 
Hf       0.24626953      -0.14356675      -8.97596789      -0.02106319       0.19415012       0.34582969 
Hf       5.46860344       0.77382750      -3.74874906      -0.19777222      -0.12485407      -0.91754713 
Hf       5.43782011      -0.14275091      -8.96292858      -0.43161920       0.71583414      -0.13467906 
Hf       0.34033650       5.96777793      -3.70378535      -1.21886440      -0.56795113      -0.60471875 
Hf       0.24580113       5.01875490      -8.93399663      -1.41166442       0.49959466      -0.00679513 
Hf       5.39922734       5.93942111      -3.68633884       0.02426617      -0.73639330      -1.16603136 
Hf       5.33224962       4.99016934      -8.95572486       1.32622643       0.34077014       0.35866955 
Hf       2.35070616       1.31345149      -1.18396616      -0.92787558      -1.38386030       2.20564301 
Hf       2.37710042       0.27252260      -6.39843801      -0.04447914       1.02906669       0.74634456 
Hf       7.52763916       1.24686120      -1.08478960       0.88424356       0.59561561      -0.12746848 
Hf       7.63755882       0.35095480      -6.39943946      -0.82230000       0.35899211       0.55968976 
Hf       2.40518746       6.35988660      -1.09476726      -0.00026699       0.27252157       0.46276627 
Hf       2.39679023       5.50200664      -6.32959922      -0.23522956      -0.16365084       0.65848959 
Hf       7.51104607       6.42581936      -1.09726367       0.57325599      -0.60395406      -0.11269197 
Hf       7.56636982       5.50118201      -6.39626586       0.36981571      -1.25385837      -0.18523279 
Hf       4.87818584       3.40552232      -1.51112291       1.18389435       1.10020352      -0.65159835 
Hf       4.95212951       2.54775779      -6.73728475       0.14959962       0.23283031      -0.34594757 
Hf      10.11200633       3.50116485      -1.51332173       0.48249285      -0.09799302      -0.14306366 
Hf      10.19196785       2.61773650      -6.76258024       0.34668381      -1.14060185       0.15459087 
Hf       4.96564999       8.65554163      -1.48570268       0.60278608      -0.29434289      -1.32457647 
Hf       4.96824923       7.74851841      -6.79314954      -0.00079456      -1.14302355       0.09115304 
Hf      10.15850736       8.59940296      -1.52290446      -0.47849135       0.04885203      -0.62064284 
Hf      10.14943362       7.66181262      -6.73814759       0.82139008       0.53063148      -1.11478742 
O       1.24823882       2.36577912      -2.68746943       0.77729368       0.41158030      -0.77306671 
O       1.26910243       1.53741136      -8.05535703       0.51261945      -0.65758856       0.28206409 
O       6.45916782       2.42114385      -2.78558049       0.06626037      -0.20870753      -0.21449780 
O       6.51864707       1.50229812      -8.04005065      -0.25637604      -0.66378831       0.03089145 
O       1.34368022       7.60452186      -2.78225180       0.21356291      -0.29999742       0.84989804 
O       1.35823578       6.59200559      -7.97702939      -0.22293546       0.26811020      -0.04044151 
O       6.52748734       7.55146488      -2.81184844       0.11769418      -0.12548035       0.21579304 
O       6.48233766       6.59813031      -8.02156605       0.32800057       0.21978217      -0.25143900 
O       3.93222595       1.36425236      -5.12608875       0.95328937       0.76305139       0.05616698 
O       4.01060846       0.48740478     -10.46352098      -1.11616638       0.39716760       0.60127526 
O       9.14213390       1.41064416      -4.98808082       0.04814372       0.30785366      -1.12827653 
O       9.08368932       0.55194542     -10.27158877       0.40153183      -0.10512899      -0.96153553 
O       3.89619989       6.57912203      -5.13900667       0.53181763       0.26761059       0.29535527 
O       3.99812421       5.64245721     -10.38256830      -0.84454375       0.12918932      -0.49967103 
O       9.23320463       6.52399836      -5.24623056      -0.95529815       0.15453397       0.98648224 
O       8.98298783       5.60779830     -10.29109245       0.97371034       0.22541897      -0.90351185 
O       3.78606806       1.84887528      -2.52223590       0.55698610       0.25397906      -0.09449873 
O       3.83730281       0.85244284      -7.72993120       0.56796054       0.98602415      -0.91031670 
O       8.96627993       2.00149792      -2.46067160       0.09542901      -0.44971955       0.63269344 
O       9.04789632       1.00271554      -7.73703285       0.12772806      -0.07028727       0.26594497 
O       3.92725939       7.04288520      -2.50032727      -0.75473207       0.03576193       0.31951999 
O       3.78690500       6.09575508      -7.77753298       0.76910815       0.04677241       0.02669719 
O       9.10525324       6.97485273      -2.55355022      -0.57380036       0.65675368       0.45091474 
O       9.05624139       6.18092969      -7.80543145      -0.35761348      -0.52211716       0.55068629 
O       1.30566411       2.80720634      -0.06379378      -0.55131439       0.15304892      -0.99440128 
O       1.42511458       1.92799855      -5.44510870      -1.32423000       0.10056743       0.45229979 
O       6.40673258       2.80905287      -0.17921884       0.61872217       0.04025695       0.42735461 
O       6.52949994       1.93409217      -5.46707708      -0.48932087      -0.02226516       0.65725860 
O       1.16676633       7.86659078      -0.10826208       0.54154763       0.37965619      -0.34836852 
O       1.25753553       7.15644901      -5.31255740       0.53882140      -0.72059020      -0.33475789 
O       6.50695238       8.02889437      -0.18604096      -0.75222000      -0.00828066       0.08135289 
O       6.49062849       6.99813844      -5.44219227      -0.40401877       0.83901819       0.45874827 
O       3.50568803       3.80915833      -5.96809642       0.79713830      -0.83352279      -0.78740053 
O       8.70366782       4.69129864      -0.78923583      -0.89874516       0.55610597       0.43123461 
O       8.74971563       3.76369817      -6.06445284      -1.05223104       0.46792140       0.50102156 
O       3.40281049       9.65056394      -0.87266550      -0.75590916       1.36480705       0.53632883 
O       3.53687678       8.91698267      -5.99489329      -0.12499973      -0.12515939      -0.24249921 
O       8.66121006       9.78411965      -0.81752767      -0.11519375       0.26224507       0.12132962 
O       8.62908379       8.88559170      -6.07199257       0.57033938      -0.31638929      -0.35723127 
O       0.77541951       0.12702565      -1.80259363       0.55182902      -0.74524219       0.38326316 
O       0.89774778      -0.86231426      -7.02726954      -0.61660768      -0.28817028      -0.70452299 
O       6.03159264       0.18579011      -1.85753721      -0.27951224      -1.50332741       0.68773725 
O       6.01545599      -0.84242942      -7.05478622       0.73986676       0.36838436      -0.39889642 
O       0.96153608       5.22614616      -1.86338257       0.07641778      -0.57128759       0.66808680 
O       0.86646686       4.29754665      -7.02656600       0.35134469       0.44381961      -0.20948609 
O       5.98744947       5.20127163      -1.90265381       0.56433994      -0.25380140       1.55358543 
O       6.06315326       4.30079155      -7.12141358      -0.19748064      -0.73447087       0.75163928 
O       1.74248801      -0.38310811      -4.47699288      -0.24150553      -0.07369753       0.46269535 
O       1.70731239      -1.32142958      -9.74481642       0.54552815      -0.46168938       0.08866932 
O       6.90758802      -0.45513569      -4.55000523      -0.48466560       0.16321066       0.88436373 
O       6.94754941      -1.28105947      -9.67952032      -0.44137524       0.24483244      -0.04311591 
O       1.79820586       4.71910749      -4.42532402      -0.88295269       0.47068099       0.26925597 
O       1.75086258       3.92313524      -9.60414617       1.40449854      -1.37253400      -1.09740398 
O       6.97419833       4.76563322      -4.46703087      -0.75117737       0.36712523       0.07990747 
O       6.77176027       3.82529953      -9.70840449       0.93275209      -0.28591050      -0.96174438 
O       4.29877374       4.16239712      -3.42403538       0.16389032       0.35190380       0.46885415 
O       4.27862934       3.26379129      -8.69701786       0.16480099      -0.11518560       0.72759383 
O       9.45043255       4.29715984      -3.34226459       0.63289910      -0.02586381      -0.32615067 
O       9.52787121       3.26459358      -8.68736404       0.03552981       0.63752678       0.04789992 
O       4.20418184       9.49010469      -3.35431937       0.78820774      -0.58823549       0.02757577 
O       4.32721998       8.35972994      -8.72320022       0.48472186       0.87997239       0.04561439 
O       9.51846363       9.37501914      -3.42984619      -0.57075434      -0.86794509      -0.14892401 
O       9.53414913       8.43614768      -8.63148434      -0.16858217       0.41380962      -0.48597710 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006895890962685055 0.0006590035057887671 0.0027112821043606137 0.0006590035057887671 0.00021556080366941777 0.0020396250123586876 0.0027112821043606137 0.0020396250123586876 -0.002516836756728188" pbc="T T T" energy=-960.78051625 free_energy=-960.78051625 config_type=crystal 
Hf       2.86301992       3.03578110      -4.17207763      -0.72486793      -0.07896872       1.02490490 
Hf       2.83354047       2.17669897      -9.37366222       0.13813654      -0.16686555      -0.97727416 
Hf       7.97880593       2.90712770      -4.20232288      -0.18298196       1.43510526       0.50168637 
Hf       8.03473657       2.13252705      -9.48297856      -0.16805373      -0.01983899       1.98478417 
Hf       2.80695191       8.15748319      -4.11253353       0.23040905      -0.26917359      -1.81147169 
Hf       2.85133967       7.25999254      -9.43047973      -0.10547218      -0.47742391       0.59080389 
Hf       7.95618168       8.17935947      -4.14974729       1.46568221       0.12146862      -0.16292158 
Hf       8.02727894       7.25176429      -9.37661992       0.22204342       0.05972912      -0.93875411 
Hf       0.24651952       0.81094734      -3.71394393      -0.31868367      -0.39866381       0.97168407 
Hf       0.31537257      -0.11780227      -8.93622234      -1.49953966      -0.16219534      -0.45774165 
Hf       5.31951320       0.81704431      -3.64628288       1.00966621      -0.10789559      -1.04759569 
Hf       5.46343655      -0.08702964      -9.03470312      -0.37768309       0.22242684       1.82928902 
Hf       0.25967872       5.89193589      -3.72958885      -1.97890113       1.17476577      -0.67391635 
Hf       0.24673231       5.01918069      -9.00151266      -0.67191905      -0.19551464      -1.21532099 
Hf       5.49156495       5.93678529      -3.70682401      -1.01192185      -0.99237627      -0.25376924 
Hf       5.38670859       5.07045977      -8.92843258       0.67627592      -0.17770122      -0.65397341 
Hf       2.40791232       1.23880545      -1.01627266      -0.46145546      -0.33032411      -1.60275674 
Hf       2.34784613       0.34044736      -6.31422605       0.74945616       0.38774257       0.23263221 
Hf       7.54603965       1.22356782      -1.09851996       0.64256088      -0.74975525      -1.01456519 
Hf       7.51283870       0.32833349      -6.31361796       0.29648719       0.45461938      -0.92658183 
Hf       2.33773169       6.37767780      -1.19514330       0.96061171      -0.50383899       1.11060798 
Hf       2.30589032       5.44896740      -6.39612967       0.77139673       1.02055105       1.07592902 
Hf       7.64686000       6.33080995      -1.03125174      -1.43691392       1.22799561      -1.15343069 
Hf       7.62016224       5.50534102      -6.31840277      -0.65885290      -0.18282716      -0.44993536 
Hf       4.89078646       3.49552107      -1.46119851       0.78722024       0.82321222      -1.00643560 
Hf       4.90374461       2.60748862      -6.83188484       1.98300770      -1.03910062      -0.18699197 
Hf      10.19268520       3.46376513      -1.55144757       0.16734050      -0.75975791      -0.65895710 
Hf      10.17185692       2.53031700      -6.75572913      -1.26109936      -0.07842404      -0.67891236 
Hf       4.97224596       8.54910485      -1.51394830       0.18764281      -0.47436661       0.11277239 
Hf       4.94303541       7.71589937      -6.75772110       0.20043585       0.16144524      -0.17938713 
Hf      10.15000613       8.59591138      -1.55596261      -0.02056285       0.40941234      -0.57648383 
Hf      10.14580751       7.74493507      -6.80819300       0.00936226      -0.40413447       0.90541717 
O       1.40826661       2.35733049      -2.66433989      -0.57660476       0.76673276      -0.77590007 
O       1.33988808       1.42478131      -7.96230610      -0.28345049       0.76464441       0.03306629 
O       6.55424349       2.40117131      -2.75500677      -0.60347807      -0.99750758       0.29914005 
O       6.53054884       1.55373830      -8.02794368      -0.16407559      -0.91721472      -0.48620046 
O       1.47266846       7.44429920      -2.80803903      -1.47029084       0.35908602       0.39825986 
O       1.26614213       6.61301250      -8.12188055       1.16654968      -0.07699974       0.95289010 
O       6.55277960       7.38688399      -2.76230227       0.30019741       1.28259575       0.63315821 
O       6.51383532       6.63914675      -8.02186489       0.41533000       0.32298266       0.60957137 
O       3.82526856       1.38180801      -5.04440932       0.21595553       0.27938470      -0.66197940 
O       4.00684822       0.63575673     -10.38275206      -0.46775039      -0.38143097       0.19379802 
O       9.07375236       1.37733158      -5.10158826       0.57244296       0.62746717      -0.36825035 
O       9.15707504       0.53124166     -10.31590869       0.42574299       0.25727054      -0.79913295 
O       3.97898228       6.55609968      -5.08629583      -0.39132884       0.71698128      -0.21045569 
O       3.80627895       5.62171655     -10.33643187       0.95118872       0.18773828      -0.00946199 
O       9.13458733       6.59353006      -5.15264662      -0.54588453      -0.25079086      -0.45979340 
O       9.06703077       5.65241020     -10.49687420       0.99492703       0.33000536       1.34528392 
O       3.84258908       1.85096344      -2.52491712       0.55366432      -0.10714226       0.85995528 
O       3.80492634       1.01700094      -7.77378994       0.26579505      -0.03093118       0.30501993 
O       8.99271491       1.85869955      -2.51232397       0.88798257       0.44666968       0.23089899 
O       8.99065390       0.99322572      -7.68279145       0.79372068       0.40954639      -0.67199316 
O       3.86001111       6.99286220      -2.42987055       0.79677898       0.33117189      -0.73140303 
O       3.84947244       6.05226794      -7.66061453      -0.07763240       0.73622468      -0.91279246 
O       9.07669042       6.97261622      -2.55432547      -0.15381721       0.53200937       0.36332502 
O       9.11843333       6.10735364      -7.85260250      -0.97225966      -0.13688590       0.66514694 
O       1.34352032       2.73559540      -0.11230701      -0.80948170       1.04351390       0.64141593 
O       1.19512851       1.98973400      -5.30006338       0.04651439       0.01008573      -0.50237237 
O       6.51509338       2.76981139      -0.16490717      -0.48159040       0.83767266       0.13368901 
O       6.30402804       2.04961501      -5.40303159       0.82485669      -1.09492666       0.65894174 
O       1.25423724       7.90211200      -0.30234114      -0.18880713       0.37050829       1.34867886 
O       1.18014436       7.07775535      -5.31716789       0.98194317       0.25384468      -1.59214945 
O       6.42098058       8.00906531      -0.08327258      -0.32422668      -0.29199634      -0.31282208 
O       6.50915065       7.19245842      -5.37632997      -0.44689113      -0.62464943      -0.03514021 
O       3.51616654       3.70699672      -6.03846473      -1.83888488       1.50870948       0.11363508 
O       8.67394129       4.68431482      -0.93339238       0.26796800      -1.41335486       0.92708345 
O       8.58186322       3.73239485      -6.13125441       0.94612489      -0.48091696      -0.03690480 
O       3.60913121       9.81731597      -0.69813895      -0.23199542       0.24732520      -1.01923316 
O       3.44929605       8.96626062      -6.21121930      -0.25274008      -0.98759739       1.07380868 
O       8.72301351       9.76613271      -0.80163114      -1.01117288       0.80723997       0.39492323 
O       8.63546478       8.88803628      -6.10085511      -0.26929117       0.06388937       0.07143766 
O       0.85374592       0.13960070      -1.81334896       0.32278536      -0.87650664       0.53058080 
O       0.76865054      -0.77294767      -6.95036220       0.30068822      -0.30214514      -0.47261332 
O       6.07504288      -0.10670155      -1.91547335       0.76439226       1.46345082       0.62952477 
O       6.07542275      -0.86514753      -7.09433110      -0.18417084       0.22621781      -0.13541380 
O       0.85524659       5.20756053      -1.90412736       0.12284785      -1.05987353       0.91177965 
O       0.88891654       4.26475303      -7.10041378      -0.18078181      -0.33032389      -0.37326406 
O       6.00934754       5.17316571      -1.80586341       0.35340118      -0.00777239       1.08059163 
O       5.96238029       4.35358844      -7.07646793       0.68993423       0.36159311       0.50525516 
O       1.79968824      -0.30960719      -4.35772230       0.02804427      -0.80570710      -0.39264279 
O       1.73189427      -1.35433975      -9.73036972      -0.22797670       0.20148061       0.66499248 
O       7.09582172      -0.24235483      -4.39648143      -1.32929858      -0.36975576       0.54085038 
O       6.94886887      -1.23630063      -9.71576970       0.32799649      -1.20785899       0.28367781 
O       1.72087495       4.83921870      -4.50552307       1.37475791      -2.07013628      -0.05549733 
O       1.71822386       3.80729729      -9.83900436       0.05164282      -0.15142305       0.92815857 
O       6.93627313       4.77428188      -4.48762840       0.06691270      -0.22260644       0.17897584 
O       7.07158376       3.95654402      -9.54850494      -0.36907382      -0.33688898      -1.05240117 
O       4.36325310       4.14018173      -3.36197156      -0.53774233       0.56903694      -0.52263955 
O       4.45351370       3.26279793      -8.79391158      -1.08118592      -0.01542157      -0.23820021 
O       9.51382956       4.19568650      -3.47110551      -0.13336047      -0.98205844      -0.04226195 
O       9.58241860       3.29754730      -8.79138892       0.08580393      -0.62338478       0.58322242 
O       4.35458292       9.26550076      -3.58456759       0.76325685       0.42024560       1.17116807 
O       4.26821889       8.47287849      -8.67411619       0.59383253      -0.16493140       0.02629163 
O       9.61266974       9.29513468      -3.41883475      -0.43008382       0.19705866      -0.79514690 
O       9.65418759       8.38511135      -8.72215983      -0.86591280       0.53131154      -0.25772872 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0011573468030472963 0.005899067123623828 -0.0016554501766950264 0.005899067123623828 -0.004665197265372555 0.001245530170702139 -0.0016554501766950264 0.001245530170702139 -0.004165923696144849" pbc="T T T" energy=-961.32583586 free_energy=-961.32583586 config_type=crystal 
Hf       2.81848327       3.00184377      -4.09924221      -0.64968941      -0.91038499      -0.98575309 
Hf       2.73392808       2.11654330      -9.41211536       0.32852678       0.04547081       0.22485599 
Hf       8.00856134       3.03550033      -4.17386514       0.26626123      -0.07483157       0.76290103 
Hf       7.94040558       2.15523632      -9.44820388       0.82947101      -0.09099917       0.78385868 
Hf       2.83033007       8.13525118      -4.15898518      -1.34890601       0.39988638       0.93371412 
Hf       2.88553963       7.35321968      -9.32983708      -1.32888291      -1.49656568      -1.27792576 
Hf       8.09424616       8.13931004      -4.21173739      -0.92039836       1.62447193       0.71489455 
Hf       8.00600959       7.23752300      -9.39716284      -0.19172458      -0.18318155      -0.11495989 
Hf       0.26733200       0.81181932      -3.72806911      -0.43402671      -0.21627044       0.37131524 
Hf       0.12614681      -0.16165998      -8.96570336       1.40397354       0.17987813       0.97343946 
Hf       5.45284490       0.81794580      -3.76503137      -0.36923227       0.38665122       0.40947391 
Hf       5.46654450      -0.07831257      -8.98791304      -0.36877410       1.17577796      -0.59552525 
Hf       0.20412909       5.92095300      -3.67677238       0.89033457      -0.55682085      -0.36942367 
Hf       0.23753201       5.06127824      -8.96804898      -0.36256947      -0.50770688       0.57982355 
Hf       5.36848079       5.98103825      -3.70934992       0.55201638      -1.04105510      -0.34984004 
Hf       5.40825183       5.07312425      -9.02801394      -0.29675900       0.11572658       0.70779707 
Hf       2.37937007       1.17504650      -1.06145583      -0.26558116       0.74711658      -0.75656680 
Hf       2.39892731       0.25824661      -6.31925121      -1.20202359       1.53498539      -0.91775977 
Hf       7.63157972       1.18579373      -1.04676279      -0.49748323       0.57216856      -1.69556088 
Hf       7.53780326       0.37820256      -6.38043550       0.53890096       0.04657864      -0.14212345 
Hf       2.39843814       6.29847469      -1.10534156       0.32944140       1.05148867       1.22887137 
Hf       2.42264493       5.45568363      -6.35587358      -1.02955213       0.64138835       0.45556419 
Hf       7.56040579       6.38432573      -1.08050453      -0.47855779      -0.15201725      -0.17615869 
Hf       7.58314567       5.45194983      -6.25688477      -0.53585312      -0.34972215      -1.01783428 
Hf       4.91440879       3.49364656      -1.50809066       0.34720162      -0.35076608      -0.92352116 
Hf       4.89104061       2.60276443      -6.80191963       1.12584318       0.11041948      -0.78256722 
Hf      10.20724450       3.43421827      -1.46688080      -0.64175795       0.42187079      -0.12752945 
Hf      10.23180310       2.55342968      -6.81804475      -0.78273332      -0.37624338       0.23967074 
Hf       4.94550518       8.64463432      -1.63864191       0.96748536      -0.25316340       1.63821207 
Hf       4.91849686       7.78791573      -6.80454898       1.41080540      -1.27373802       0.50472979 
Hf      10.22618143       8.51912249      -1.52291423       0.16105795       1.34761426       0.21888637 
Hf      10.13599970       7.65524234      -6.75357819       1.09898754       0.60294497      -0.19729387 
O       1.32490392       2.35154127      -2.71993136       0.15086049       0.49458150       0.04796673 
O       1.16790116       1.40973795      -8.02345153       1.65634536       0.48506859      -0.21228827 
O       6.45087159       2.38463471      -2.82605111       0.66899074       0.27535951      -0.14616204 
O       6.48098183       1.54474087      -8.01993089       0.18330502      -0.78546053      -0.37265017 
O       1.34423060       7.61740095      -2.71281154      -0.35013693      -1.15878869      -0.15421406 
O       1.33428075       6.61917871      -7.89857637       0.70325689      -0.00999402      -0.66269182 
O       6.55049124       7.51687203      -2.82683151       0.06054541       0.05110599       0.36020575 
O       6.41832752       6.78706939      -8.09999387       0.78798171      -0.52463738       0.21129844 
O       3.91043605       1.35312186      -5.20898057       0.79631901       0.96737002       0.58417693 
O       3.96167942       0.69506795     -10.44341162       0.18930828      -0.30854229       0.49211700 
O       9.22481197       1.51508717      -5.06695113      -0.75242860      -0.37728771      -0.43211359 
O       9.18893075       0.62739179     -10.28169443      -0.64289988      -0.49965201      -1.09735799 
O       3.89690871       6.56366115      -5.05778255      -0.21116763       0.29087728      -0.95226022 
O       3.88520353       5.62217197     -10.38578756       0.33728879       0.94633998      -0.22636639 
O       9.13726532       6.60564121      -5.10835326      -0.04502877      -0.20718801      -0.10256121 
O       9.12511460       5.66763802     -10.33861673      -0.34591940      -0.04844988      -0.76736693 
O       3.85165887       1.74077926      -2.48818586      -0.00852335       1.24354065      -0.30777464 
O       3.85925221       1.03749376      -7.82679532      -0.53897721      -0.16649375       0.42391938 
O       9.08525421       1.92882772      -2.38003802      -0.18712392      -0.15620571      -0.63534817 
O       9.08909602       1.01074891      -7.75214991      -1.50063080      -0.83479319       0.55726303 
O       3.77201103       7.00417118      -2.55191086       0.93318161       0.19652857       0.22058372 
O       3.94439288       6.18525553      -7.74821765      -0.97708709       0.38945632      -0.02822893 
O       9.06261812       6.93319667      -2.51159607       0.06381162       0.89040472       0.23481590 
O       9.04965778       6.05023146      -7.71128625      -0.42739119       0.37826445      -0.03748370 
O       1.31124868       2.78383578      -0.07098773      -0.63120887      -0.01103044      -0.64652346 
O       1.34681934       1.81800797      -5.42521145      -0.49159374       1.35534717       0.33734494 
O       6.50963993       2.83311727      -0.22058232      -0.49431045      -0.07558610       0.57066701 
O       6.46679607       1.94208016      -5.50267900      -0.25987655       0.16445608       0.97590529 
O       1.25759320       6.20214497     -10.46514658      -0.18243864       0.05389617      -1.24900087 
O       1.24572499       6.96942431      -5.36597997      -0.02004706       0.58440216       0.64931164 
O       6.44984108       8.02858802      -0.16147117       0.16355758      -0.58532030      -0.13500228 
O       6.36360818       6.96714460      -5.38446793       0.39048974       1.08205577      -0.20381768 
O       3.55209669       3.85879396      -6.06543853      -0.04477068      -1.09495164       0.41345838 
O       8.60768019       4.66517482      -0.81194503       0.28736801       0.01122524      -0.40729053 
O       8.67235729       3.73269605      -6.03787607       0.09503160       0.37617122       0.10393792 
O       3.56117220       9.86157405      -0.80920606       0.18607262      -0.84941213       1.21119390 
O       3.41183769       8.88493121      -5.96850899       1.25597509      -0.73494712      -0.62071505 
O       8.77063472       9.83181478      -0.80571209       0.11728104      -0.71796648       0.30219285 
O       8.64373556       8.94307296      -6.11302718       0.05429028      -0.69526415       0.34833099 
O       0.93774989      -0.01207700      -1.82404990      -0.22242919      -0.02209626       0.23062430 
O       0.88861471      -0.87573142      -7.01976781      -0.68972427      -0.85570382      -0.39565823 
O       6.17129431       0.05675997      -1.90218129      -0.23953344      -0.63248657       0.30203683 
O       6.04897342      -0.85472267      -7.13959577       0.71880704       0.78400243       0.42085381 
O       0.91322246       5.17926108      -1.79247653      -0.34092390      -0.10010778      -0.43041319 
O       0.90055004       4.25198335      -7.07067854       0.27216241       0.22874506      -0.35393429 
O       5.90627446       5.28172280      -1.77359364       0.35007463      -0.10691412       0.39290189 
O       6.12805001       4.35848516      -7.02368306      -1.06736953      -0.56353341      -1.01230429 
O       1.66691014      -0.37819862      -4.42824391       1.45244739      -1.35235598      -0.24722447 
O       1.74983426      -1.29593921      -9.68954596      -0.32234181      -0.10385657       0.40925533 
O       6.89607339      -0.36915865      -4.49465308       0.60726602      -0.77202019      -0.33401234 
O       6.96311033      -1.27622082      -9.74847566      -0.33622172      -0.07705112       1.03549130 
O       1.76776406       4.70902440      -4.45739333      -0.84507939       0.10519270       0.45999551 
O       1.70145497       3.86539696      -9.72005468       0.18087345      -0.73878783      -0.16182620 
O       6.92183041       4.74916557      -4.39239345      -0.09700319       0.04369560       0.30837857 
O       6.87137670       3.85627062      -9.64518729       0.09443335       0.52084751      -0.94743961 
O       4.25770880       4.15862355      -3.50148664       1.32294098       0.73432588       1.34566754 
O       4.22045585       3.40472422      -8.77238475       0.45422230      -0.31961655       0.84803343 
O       9.48059652       4.24776878      -3.35493554       0.24392924      -0.18621002      -0.35064122 
O       9.43180099       3.26949885      -8.74540718       1.33617348       1.25429836       0.67155391 
O       4.30188366       9.39347184      -3.35072460      -0.64673462      -0.33342117      -1.60736106 
O       4.23000515       8.65650779      -8.63960391      -0.10740558      -0.77610372       0.19677787 
O       9.62451540       9.33521762      -3.50648146      -1.36100174      -1.04814481       0.44409247 
O       9.56960633       8.31783544      -8.66617669      -0.31548817       0.61148045      -0.21899022 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005591516212193127 -0.002732848103733858 -0.0027961076150038408 -0.002732848103733858 -0.0021969942728551394 0.0011118536601230128 -0.0027961076150038408 0.0011118536601230128 -0.002971924304838789" pbc="T T T" energy=-961.65113337 free_energy=-961.65113337 config_type=crystal 
Hf       2.85114173       3.06513846      -4.07573770      -1.76584422      -0.05176504      -1.42429371 
Hf       2.86573937       2.10200517      -9.39531894      -1.17405108      -0.19911630      -0.04504863 
Hf       8.01552627       3.02030114      -4.20544103       0.51489180       0.54107485       1.55711220 
Hf       8.03770207       2.03370917      -9.37970362       0.47026134       1.17519465       0.20972224 
Hf       2.80214245       8.16043538      -4.13169353      -0.22673562       0.81178542      -0.47331216 
Hf       2.88248894       7.25389541      -9.45403034      -0.79407685       0.41668905       0.80667412 
Hf       8.02307596       8.11215676      -4.12542867      -0.28023039       0.94450381      -0.52947833 
Hf       8.00955642       7.27956157      -9.42962887      -0.58388854      -0.74898651       0.26550310 
Hf       0.18499660       0.87195985      -3.69938035      -0.33711938      -0.01300076      -0.06155325 
Hf       0.25996799      -0.07253349      -8.92019823       0.05118759      -0.49194978      -0.61194152 
Hf       5.39855238       0.77917890      -3.71276881       0.58241146      -0.34987669      -0.32464691 
Hf       5.41511638      -0.11365022      -8.98840258      -0.19765839      -0.42376790       0.51044978 
Hf       0.20523368       6.02377435      -3.78411556      -0.23980556      -1.70021926       0.47845793 
Hf       0.24176658       5.05431235      -9.06583820      -0.02557827      -0.65296102       1.49079805 
Hf       5.35758490       6.01111299      -3.64932553       0.68638372      -0.75469609      -0.94369176 
Hf       5.42922007       4.90678709      -9.03530355       0.37895173       1.80329566       1.15484332 
Hf       2.29141841       1.17449883      -1.14662429       0.52087578       1.18915363       1.79695255 
Hf       2.42129523       0.30766189      -6.36099860      -1.71934826       0.56283943       1.59719083 
Hf       7.57737283       1.26208919      -1.05152092       0.56413845       0.05923008      -1.11970179 
Hf       7.51060406       0.31650537      -6.35802840       0.69401812       0.32124385       0.48773797 
Hf       2.42814721       6.35113974      -1.07725302      -0.55523000      -0.14149601      -0.00564516 
Hf       2.32870668       5.45567603      -6.33682520       0.67659202       0.33651795      -0.35761077 
Hf       7.57786782       6.27628280      -1.06475102       0.03152572       1.33036047      -0.66949366 
Hf       7.51974326       5.49011451      -6.30998203       0.21623614      -0.88981717      -0.70930719 
Hf       4.92651837       3.44987541      -1.51955226       0.28132871       0.05791740       0.09674054 
Hf       4.96039312       2.52600638      -6.81079158       0.06459264       0.90864064       1.30026619 
Hf      10.27231559       3.58745425      -1.49081688      -1.16532875      -1.41108797      -0.82805094 
Hf      10.17189432       2.62357196      -6.78712179       0.20485767      -0.81971630       0.54863253 
Hf       5.03820054       8.61429297      -1.51461394      -0.65301875       0.38496588       0.12736767 
Hf       5.00185695       7.67980862      -6.80861355      -0.90857445       0.04342763       0.33717606 
Hf      10.15733825       8.60509933      -1.48972272      -0.60667294       0.00370316      -1.23453385 
Hf      10.10381015       7.71208556      -6.85910813       0.59904639       0.08133676       0.37020546 
O       1.29283012       2.45494484      -2.68733512       0.29959828      -0.43450680      -0.25176774 
O       1.28962305       1.41448213      -7.95522125       0.98370311       0.68011091       0.07691337 
O       6.50462796       2.37601684      -2.79861864      -0.29079243      -0.09040208       0.58240057 
O       6.49151489       1.54079814      -8.01937531       0.00708374      -1.10467481       0.13680143 
O       1.29088412       7.48089560      -2.75530867       0.43756668       1.11708604       0.00846867 
O       1.31248419       6.66545553      -8.03253853       0.37786692      -0.74579648      -0.30375176 
O       6.55018681       7.49586511      -2.68991365      -0.41566787      -0.02799040      -0.49816921 
O       6.44187152       6.53425372      -7.95671013       1.39710885       0.31966242      -0.51254002 
O       3.94056478       1.50212809      -5.11231513       0.16252031      -0.20322689       0.22934685 
O       4.00504103       0.65336556     -10.40234037      -0.48715073      -0.17258244       0.19560719 
O       9.06957089       1.52172839      -5.03215083       0.80539189      -1.49868172      -0.70875325 
O       9.14319153       0.54515293     -10.34899939      -0.30080997       0.03224062       0.53723609 
O       3.93110328       6.63368838      -5.13328406      -0.13445511      -0.18328989       0.40655124 
O       3.94558101       5.63263326     -10.40524935      -0.24576370       0.30213023      -0.05377233 
O       9.05376756       6.56092829      -5.13769095       0.42176021       0.15606240      -0.30479539 
O       9.13864931       5.56228287     -10.41995563      -0.25284569       1.05412856      -0.00181219 
O       3.71091069       1.88564067      -2.47953275       1.73328131       0.31996040      -0.51159311 
O       3.82298228       0.90829368      -7.70591353       0.97325889       0.70331302      -1.13690817 
O       9.08799059       1.87517059      -2.38814994      -0.25468523       0.38743883      -0.45030939 
O       9.06907070       1.03534058      -7.64478059      -0.65039207      -0.60331170      -0.89406137 
O       3.80511202       7.05236968      -2.46435373       0.85857393      -0.37009976      -0.54571228 
O       3.96991155       6.16146605      -7.78999181      -1.70613590      -0.72647002       0.09710592 
O       9.06047003       7.01757579      -2.51752071      -0.04198792       0.16604770       0.08534041 
O       9.06144162       6.09067171      -7.80887985      -0.26174288       0.44540074       0.03760226 
O       1.21887200       1.04511370     -10.49572312       0.83852901       0.12299869      -0.95573119 
O       1.20476136       1.95390355      -5.33916872       0.42332466      -0.19701332       0.07666529 
O       6.46016779       2.71976442      -0.00126070       0.28365787       1.21556271      -1.46334210 
O       6.48353390       1.96689727      -5.41804596      -0.56569602      -0.69959216       0.23873368 
O       1.19252398       7.97565439      -0.12813717       1.09528441      -0.50530742      -0.03787955 
O       1.22314189       7.01097919      -5.41737970      -0.42686329       1.05045211       0.08776621 
O       6.44777580       7.92761024      -0.15234585       0.45787374      -0.07174453       0.72127599 
O       6.40120214       7.09796779      -5.35405529       0.38144613      -0.55857812       0.45936965 
O       3.49239842       3.84399577      -5.96185971       0.79120745      -0.80999594      -0.35688513 
O       8.66131926       4.66434528      -0.81177597       0.52656502      -1.05004336       0.12680229 
O       8.69721305       3.74271149      -6.06472764      -0.69629876       1.23594968      -0.17323579 
O       3.48592246       9.80679826      -0.83752582      -0.04135112      -0.35921750       0.23249671 
O       3.50866963       8.97432463      -6.00006493       0.52377218      -0.94177827      -0.01257186 
O       8.61211051       9.74088407      -0.78303566       0.23088311      -0.00124560      -0.17877813 
O       8.55049876       8.83499717      -6.09197162       1.00792520      -0.02757174      -0.27290518 
O       0.77927659       0.14416503      -1.68714233      -1.11837095      -1.54789905      -1.29088262 
O       0.97808232      -0.94831445      -7.07534489      -0.78110292      -0.00688546      -0.13676546 
O       6.01786290       0.12332333      -1.79198269       0.14537501      -0.38248593      -0.30144800 
O       6.07565175      -0.88889923      -7.09958665       0.08413127       0.63040277      -0.61754413 
O       0.96235806       5.20266159      -1.90361252       0.41236614       0.29953632       0.84337994 
O       0.92234534       4.21964977      -7.07442388       0.37360397       1.25290869      -0.78243188 
O       6.02304766       5.16381266      -1.81683663      -0.05209749      -0.12934118       0.33427464 
O       6.13446508       4.13727851      -7.12326179       0.21724441       1.07340699       0.12773563 
O       1.76906887      -0.31584762      -4.35178180      -0.15154115      -0.54222821       0.05684255 
O       1.71354740      -1.29737839      -9.73929059       0.28359495      -0.26814075       0.50228059 
O       6.91426898      -0.44013699      -4.52749103      -1.15568352       0.61954626       1.15021190 
O       6.85168730      -1.33784958      -9.77813593       0.12674571      -0.73590358       1.16796017 
O       1.71409029       4.82370791      -4.44888502       0.39341478      -0.74941418       0.14045494 
O       1.79796886       3.78851258      -9.71456612      -0.40911571       0.81419434      -0.32674732 
O       6.99558551       4.74995805      -4.44153723      -1.71579292       1.21645514       0.24008241 
O       6.95532831       3.81294672      -9.72169035      -0.08838891      -0.58494171       0.21139788 
O       4.22975381       4.28172934      -3.31149462       0.42022167       0.26071481       0.14854786 
O       4.29767102       3.33684960      -8.64710186      -0.81599323      -1.20034802      -0.19085506 
O       9.60418024       4.18539404      -3.43684347      -0.52630997       0.21591444      -0.06297582 
O       9.55380279       3.32430895      -8.74033308      -0.25944582      -0.49690033      -0.02613221 
O       4.31228912       9.31303244      -3.35491780       0.31197621       0.41113866      -0.68977104 
O       4.30847412       8.44760353      -8.70968230       0.16566181       0.61094394      -0.08405342 
O       9.44222858       9.40574686      -3.44443192       0.59745313      -0.24792065       0.38270986 
O       9.45779314       8.52703662      -8.73216877      -0.13995942      -0.60290309       0.61398066 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00012696480360475373 -0.004453634622652958 -0.002488706755694035 -0.004453634622652958 0.002359040021513214 -0.00017324873325226842 -0.002488706755694035 -0.00017324873325226842 -0.004633334461149067" pbc="T T T" energy=-961.25730307 free_energy=-961.25730307 config_type=crystal 
Hf       2.79101413       3.06441760      -4.19880907       0.10802570      -0.83038701       0.37400450 
Hf       2.79747451       2.11490161      -9.43167375       0.22839610       0.18467868       0.45681141 
Hf       8.05719769       2.91479658      -4.18543595      -1.05950303       0.47070747       0.04331520 
Hf       8.08888393       2.16266223      -9.42990493      -1.27384506      -0.56230076      -0.37039019 
Hf       2.75335066       8.06086639      -4.11154910       0.56638374       1.07236128      -0.49373844 
Hf       2.80284244       7.22293320      -9.45760242       0.57584360       0.69932022       0.17594737 
Hf       8.02469404       8.22332845      -4.12447249       0.95678464      -0.74084302      -0.45280532 
Hf       8.01686807       7.32064057      -9.38035939      -0.29123322       0.48857534      -0.82828750 
Hf       0.23092805       0.77662338      -3.72999155       0.95447522      -0.10887899      -0.15923610 
Hf       0.27361470      -0.07938020      -8.85589780      -0.18974062      -0.61046508      -0.99262901 
Hf       5.45751097       0.74988469      -3.71102088      -1.46682756       1.02441949      -0.73866043 
Hf       5.35328093      -0.03731597      -9.02611291       0.94710736      -1.39656624       0.14687638 
Hf       0.14188821       5.81410250      -3.69278798       0.23656012       1.05181078       0.42921810 
Hf       0.19337492       5.00180225      -9.01290202       0.98158208       0.70682217       0.51065947 
Hf       5.53450877       5.95854771      -3.62931310      -1.43831115      -1.67806554      -1.48392650 
Hf       5.40347312       5.02360381      -8.94852923      -0.02271026       0.45938178      -0.39454604 
Hf       2.31091268       1.26291230      -1.11067701       1.28817917      -0.04848537       0.40444769 
Hf       2.45765762       0.31366038      -6.34703797      -0.04011171      -0.59685120       1.44667304 
Hf       7.53847561       1.27608211      -1.14601043       0.13345850       0.11926319       0.48111366 
Hf       7.56385879       0.29336818      -6.38354966       0.18904366       0.43327188      -0.08257343 
Hf       2.44150767       6.33083773      -1.05912670      -1.14240576      -0.36347566      -0.40343107 
Hf       2.34409191       5.52460660      -6.33773046       0.39600292      -0.43164244      -0.63010556 
Hf       7.53641761       6.49781262      -1.07408478       0.95175663      -1.34978572       0.53828353 
Hf       7.52569420       5.48763686      -6.38407626       1.30589326      -0.75207455       1.84927792 
Hf       4.89381461       3.49407494      -1.52481315      -0.18139755      -0.35503575      -0.34194840 
Hf       4.98216235       2.57028312      -6.81522975      -0.45290065      -0.43671264       0.67374781 
Hf      10.10664047       3.48285951      -1.53148575       0.50803210      -0.50380250       1.46358329 
Hf      10.16769602       2.57852009      -6.74276490       0.43588277      -0.37235011      -0.14917251 
Hf       4.97801122       8.63247167      -1.51996944      -1.07967308       0.70747717       0.16048309 
Hf       5.08285917       7.62980658      -6.77072134      -2.29116934       1.71883304      -0.29018441 
Hf      10.16100342       8.65664359      -1.53172915       0.92570077      -0.98200020       0.33608837 
Hf      10.19435492       7.69912419      -6.81609742      -0.09376072       0.06428222       0.79572383 
O       1.35060587       2.30306367      -2.77385364      -0.15353809       0.58366540       0.47072378 
O       1.44165322       1.38420787      -7.93099367      -0.64686717       0.81558037      -0.00603340 
O       6.51863304       2.41241809      -2.86065621       0.26522779      -0.57471389       0.92090607 
O       6.58089979       1.45334646      -8.06006466      -0.39129472       0.44002714       0.17687944 
O       1.20651357       7.36995226      -2.67515949       0.85657378       0.48354328      -0.73799282 
O       1.29580496       6.60214967      -8.02669632      -0.16584538      -0.20931943       0.32799877 
O       6.50208203       7.56499854      -2.68130716       0.35107930      -0.02438879      -0.35974297 
O       6.54857683       6.66729347      -7.94794707      -0.09579367      -0.69170855      -0.14854734 
O       3.85527563       1.43942110      -5.09530061       0.72615297       0.09787988      -0.36065884 
O       3.86669384       0.58735011     -10.40716193       0.22134565       0.28122852       0.09463983 
O       9.16290556       1.39316293      -5.15935155      -0.11471530       0.01310994      -0.13432610 
O       9.08554804       0.60467198     -10.45321613      -0.07285181      -0.31344036       0.45483471 
O       4.00849134       6.53938096      -5.00630017      -0.10693937       0.09607213      -0.89339130 
O       3.93517825       5.60847157     -10.45554505       0.61331460       0.34206120       0.77797872 
O       9.20709621       6.57970496      -5.17865016      -0.44302679      -0.18846610       0.56042805 
O       9.15358941       5.74259674     -10.41221659      -0.29467980       0.07669717       0.56527237 
O       3.89406666       1.82772650      -2.43579319      -0.07411006       0.61053942      -0.26571945 
O       3.91245727       0.90265103      -7.76163940       0.25991751       0.85564909      -0.16294461 
O       9.09078371       1.86895248      -2.55907016      -0.47153087      -0.83152975       0.46128952 
O       9.05566005       0.91629449      -7.76315631       0.74245781       1.03576338      -0.15844120 
O       3.78736705       7.01052389      -2.48605330       0.80571591       0.14773115       0.05763689 
O       3.84182581       6.08672885      -7.74657158       0.41803815       0.48933991      -0.01173182 
O       9.04507774       6.92895115      -2.47994091      -0.65312709       0.85759982      -0.30306643 
O       8.99073941       6.06649479      -7.72959959       0.73942543       0.67326318      -0.99798098 
O       1.18038811       0.98097890     -10.49407317       0.55930179       0.22943449      -0.68676502 
O       1.25873520       1.91762827      -5.31916615      -0.45031189       0.07717447      -0.76247847 
O       6.37551670       2.83386071      -0.15065872       0.22640859       0.08974267      -0.38666295 
O       6.41007669       1.85122600      -5.43097533       0.32289892       0.01430612      -0.22038904 
O       1.27847998       7.88694058      -0.04356640      -0.06387887       0.00640549      -0.92076812 
O       1.33764367       7.15169084      -5.45853674      -0.19951276      -0.49277348       0.78691008 
O       6.48041650       8.00637643      -0.05672090      -0.45819348       0.09641304      -0.06747150 
O       6.52206402       7.06345501      -5.34440504       0.22693363      -0.27519611       0.49430956 
O       3.47147258       3.77699561      -6.10534317      -0.02809813      -0.19857570       0.50786022 
O       8.69859039       4.80249910      -0.76373852       0.21221815      -0.61776317      -0.03630139 
O       8.73193794       3.76742869      -5.99698091      -0.05762325       0.17619398      -0.43282650 
O       3.40488720       9.76482615      -0.87534305       0.56039876      -0.16699786       0.62721599 
O       3.44380094       8.78490333      -6.07872177       0.82777380       0.24276238       0.10113077 
O       8.61951869       9.76826934      -0.84716210       0.00391700       0.66936953       0.31246998 
O       8.73054761       8.91960038      -5.94337973       0.10015912      -0.13063821      -0.71958134 
O       1.02189403       0.00277835      -1.84229456      -2.08559256      -1.13166930      -0.50814720 
O       0.97491068      -0.89665726      -7.02097496      -0.89948267      -0.17735390      -0.82777446 
O       6.10317450       0.09064258      -1.92764090       0.26983232      -0.85869734       1.39101660 
O       6.08214589      -0.83938136      -7.07360463      -0.32031935      -0.80715464      -0.02730210 
O       0.97106772       5.00737718      -1.84817982       0.50065979       0.69485562       0.24514172 
O       0.88200856       4.24135237      -7.07104511       0.23356424       0.57115023      -0.15390504 
O       6.14124381       5.15232850      -1.87002472      -0.16310626       0.22543440       0.80056848 
O       6.05983253       4.26800038      -6.94410732      -0.14944746       0.45159698      -1.57629006 
O       1.71857027      -0.43737762      -4.42853142       0.21408030      -0.28210765      -0.03524717 
O       1.66095453      -1.41892765      -9.74229775      -0.31528141       0.79546098       0.53661561 
O       7.02436901      -0.33426913      -4.43270162      -0.32620989      -0.58038910       0.26113817 
O       6.85585246      -1.26888516      -9.80554613       0.57610303      -0.39601319       0.44839543 
O       1.67796864       4.79685289      -4.48821884      -0.06907721      -0.52739356      -0.14103540 
O       1.75951458       3.80023285      -9.66901406      -0.46652567       0.19158173      -0.34318795 
O       6.85103354       4.53212148      -4.46085474      -0.42595724       2.30162120      -0.08756572 
O       6.93478524       3.87941538      -9.65149646      -0.37452903       0.20482895      -0.01240764 
O       4.12530859       4.25919189      -3.32678988       1.23305664       0.77414076       0.44973804 
O       4.26278581       3.42186701      -8.70734970       0.01802393      -1.63053961       0.32606824 
O       9.45523890       4.13236596      -3.28665108      -0.37784602       1.10002577      -1.85129055 
O       9.50146958       3.35630754      -8.70800094       0.13848979      -0.95443357       0.88143150 
O       4.35791644       9.34922198      -3.32943204      -0.77748803      -0.70018068      -1.44658376 
O       4.45825593       8.37779705      -8.80471333      -0.80772344      -0.18589335       0.48135600 
O       9.53351927       9.32433659      -3.36595381      -0.11076163       0.17859183      -0.16958446 
O       9.42796926       8.58561792      -8.60688755      -0.18427377      -1.08730579      -0.01885639 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002667600003965805 -0.0025172391905120975 -0.002889440315068665 -0.0025172391905120975 -0.0017568044081148534 0.0032544148643215555 -0.002889440315068665 0.0032544148643215555 -0.006208150238163805" pbc="T T T" energy=-961.5053396 free_energy=-961.5053396 config_type=crystal 
Hf       2.75369396       3.08803285      -4.16053465       0.89807366      -0.54358558      -0.40251601 
Hf       2.81125869       2.08343596      -9.41967190       0.68076858      -0.36683364      -0.08268988 
Hf       7.95722404       3.00603549      -4.19075470       1.03070266       0.59457223       0.88541558 
Hf       8.03978397       2.11668522      -9.37330026      -0.66720839       0.01881962      -0.11102928 
Hf       2.86724908       8.20445740      -4.10607557      -1.24527219      -1.76869155      -0.45875902 
Hf       2.84937486       7.23771706      -9.44761490      -0.63838374       0.08142646       0.07630478 
Hf       8.03161564       8.17745107      -4.10582524      -1.26931259       0.33737138      -1.68154853 
Hf       8.04105127       7.32142152      -9.51119237      -0.30244450      -1.44130112       1.65606233 
Hf       0.22368362       0.81219849      -3.67529096      -0.43089469       0.49156027      -0.16509007 
Hf       0.30869702      -0.12828433      -8.93703172      -0.81590972      -0.37635731      -0.49819916 
Hf       5.36549233       0.78863069      -3.71308372       0.21543209       0.32221434      -0.06906608 
Hf       5.40387554      -0.15050555      -9.01617337      -0.20445636       0.56846575       0.43204729 
Hf       0.17559474       5.94643544      -3.72125370       0.36898723      -0.68390487       0.96981310 
Hf       0.20994017       5.04284173      -8.98154318       0.34596611       0.21147491       0.12016920 
Hf       5.41440008       5.91419479      -3.65428454      -0.30994021      -0.21454419      -1.49058476 
Hf       5.45032504       4.96051817      -9.02152184      -0.12683679       0.20372142       1.37126948 
Hf       2.41011329       1.28112578      -1.16462083      -0.83263226      -0.08085239       1.36792896 
Hf       2.40944593       0.32259347      -6.30455627      -0.35362148       0.65693052      -0.85689867 
Hf       7.54919196       1.20291831      -1.12798418       0.26854088       0.80513309       0.40215101 
Hf       7.52289287       0.36972340      -6.33684284       1.26593213      -0.29474578      -0.05170937 
Hf       2.39177390       6.32308542      -1.03876418      -0.55660224       0.10015209      -1.42475371 
Hf       2.36610073       5.49175903      -6.32240191       1.35230682       0.31638439       0.00277582 
Hf       7.57867380       6.43751477      -1.12274827      -0.10884443      -1.35744542       0.48905114 
Hf       7.59342469       5.49336879      -6.33811457      -1.39038429      -0.28138254      -0.68074624 
Hf       5.00782981       3.45095419      -1.49793197      -1.14505048       0.59838172      -0.52311440 
Hf       4.98978020       2.50680082      -6.80980232      -0.23296626       0.58462403       0.55527012 
Hf      10.07778641       3.48714297      -1.44985620       0.68226653       1.02360624      -0.63003706 
Hf      10.16829253       2.60672608      -6.77731981      -0.50473796      -0.91947079       0.25146633 
Hf       5.00187139       8.60571348      -1.55314940      -0.48561243      -0.36930428       0.90116782 
Hf       5.02112793       7.80433437      -6.81373384      -0.29051298      -2.09844525       0.42760946 
Hf      10.11319248       8.57844827      -1.56485335       1.77062542       0.05088503       0.98061987 
Hf      10.15234748       7.63556841      -6.73346411       0.14505985       1.62635894      -0.94517361 
O       1.35685543       2.39305563      -2.79190993      -0.58512033      -0.33756967       0.43274933 
O       1.36724313       1.48687186      -8.03848039      -0.02345197       0.04962473       0.85031568 
O       6.62504452       2.33318440      -2.72195429      -1.02876366      -0.15324459      -0.10082205 
O       6.52235027       1.41685203      -8.01420010       0.56491598       0.15525452       0.09280201 
O       1.32570699       7.37665664      -2.74515733       0.44652398       1.81853226       0.25271651 
O       1.36629896       6.70308586      -7.95039161      -0.00255740      -0.89341347      -0.23545874 
O       6.52145079       7.50382825      -2.70079372       0.24515785       0.27953312      -0.68568420 
O       6.64431301       6.61239220      -8.03264983      -0.82336807      -0.35674696       0.01840034 
O       3.89734064       1.40569208      -5.14307901      -0.25865721       0.12536779       0.54431490 
O       3.84661709       0.46340181     -10.38066538       0.68351227       0.73613957      -0.06078795 
O       9.06390797       1.40910314      -5.16874811       0.44976649       0.08859819       1.33703206 
O       9.11291286       0.58564872     -10.32232476      -0.33122217      -0.12600038      -0.15726074 
O       3.94295060       6.53397477      -5.09197749      -0.83075023       0.76712760       0.17686859 
O       4.00214474       5.62484484     -10.42257027      -0.49897401       0.50155727       0.32872689 
O       9.07220254       6.59549770      -5.09907872      -0.25206118       0.15513555      -0.67480794 
O       9.13758202       5.68689551     -10.46902213       0.41986854      -0.20659449       0.61226444 
O       3.83096868       1.87337435      -2.50487780       1.03686005       0.24309406      -0.39414580 
O       3.98340200       0.88147033      -7.71005202      -1.13012980      -0.50950235      -0.12342995 
O       9.10595032       1.89982945      -2.37158600      -0.06273921      -0.42760815      -1.32307550 
O       9.07773984       0.96575194      -7.71416447      -0.08571899       0.56806303      -0.34583200 
O       3.83682133       7.06791270      -2.44064835       0.30867432      -0.51168458      -0.56810395 
O       3.92307096       6.06164061      -7.74875549      -0.51265755       0.30597434      -0.09406436 
O       9.03469087       7.05247865      -2.55849148      -0.29598864      -0.12936030       0.34858570 
O       9.08350697       6.10000715      -7.76716911       0.67839919      -0.19170037       0.20753034 
O       1.22472922       2.84768301      -0.15352821       0.19819249      -0.46599284       0.19519925 
O       1.16517714       2.06055420      -5.33965626       0.68378099      -1.16868547       0.01972448 
O       6.33379125       2.77504655      -0.12435171       1.18382756      -0.35628435       0.30522200 
O       6.39858316       1.85889381      -5.28964428       0.13823279       0.62152417      -0.57946969 
O       1.28099588       7.92681511      -0.13926905      -0.08530993      -0.03213302       0.65604867 
O       1.16265354       7.08357619      -5.25076828       0.57965924       0.05111149      -1.50587626 
O       6.50028482       7.85267511      -0.10490021      -0.68623955       1.09855743      -0.30675266 
O       6.42024339       7.03987400      -5.43558635       0.59863526       0.07702452       0.84344493 
O       3.48025820       3.72328240      -6.09338615      -0.44551706       0.51187344       0.33449428 
O       8.66944343       4.76355287      -0.73552114       0.36157587      -0.97759456       0.24930196 
O       8.66120268       3.73792722      -5.98208079       0.47170320       0.46020400      -0.79721836 
O       3.44494958       9.78945130      -0.92362789       0.34459609      -0.50729845       0.72345349 
O       3.51785932       8.93744781      -6.01199507      -0.04640698      -0.37006057       0.17757869 
O       8.51339066       9.71434460      -0.92594474       0.76370248       0.03450505      -0.27913979 
O       8.70144523       8.98825624      -6.10827934       0.25064532      -1.16319317       0.93276849 
O       0.87988499       0.10328263      -1.73988341      -1.03282246      -0.99009320      -0.94621089 
O       0.91968242      -0.84617714      -7.10258309      -0.24677280      -0.59778073       0.52923715 
O       6.05361206       0.05351553      -1.82327296      -0.34635931      -0.14895841      -0.13343966 
O       6.14978661      -0.86559016      -7.12881870      -0.62022754      -0.48770811      -0.36974797 
O       0.78688291       5.23371049      -1.79745874       0.75573913      -0.53813790       0.46860615 
O       0.89469718       4.31415674      -7.03655111      -0.42662322       0.13152809      -0.92706058 
O       6.13736875       5.14575664      -1.89214000      -0.25177289      -0.36836330       0.68189903 
O       6.15196691       4.17970778      -7.13958442       0.34535341       0.62298408       0.08693011 
O       1.65667259      -0.38921893      -4.48226386       0.23303484      -0.16721330       0.65280488 
O       1.81298055      -1.27556227      -9.64683431      -0.01587096      -0.14340454      -0.49088685 
O       6.77469573      -0.44936893      -4.47090621       1.01965595      -0.65262583       0.03692943 
O       6.95323924      -1.32659185      -9.72935714      -0.90226607       0.83238161      -0.00385062 
O       1.67503858       4.74280174      -4.43345105       0.15222953       0.15231187      -0.29618533 
O       1.74998990       3.77746857      -9.74982152      -0.53194648       0.50171853       0.93513768 
O       6.85304167       4.69538332      -4.49645792      -0.33015381       0.28704770       0.07187355 
O       6.78907091       3.72923066      -9.78842115       0.76724165      -0.23510819      -0.09849764 
O       4.30484157       4.19115361      -3.37126658      -0.07091954       0.24998568       0.03183928 
O       4.37692413       3.11459561      -8.65824455      -0.43875040       1.37502189      -1.15845601 
O       9.36918658       4.35111510      -3.33510960      -0.49741486      -1.67547617      -0.28148571 
O       9.45611885       3.34366706      -8.64463212       0.54684925       0.62280548      -0.08703786 
O       4.36659306       9.27701189      -3.45140599       0.23832217       0.89462210       0.12706888 
O       4.27668781       8.41136092      -8.66327328       0.87491273       0.61547220      -0.40240349 
O       9.45593473       9.33078162      -3.31576090       0.44728871       1.42660654      -1.43322226 
O       9.55301033       8.37999734      -8.81852391       0.78944268       0.68388627       0.78680201 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0006465513705241554 0.00023121592537970456 -0.0020510674774165327 0.00023121592537970456 -0.0019759993117482895 0.0019359347713183161 -0.0020510674774165327 0.0019359347713183161 -0.005785674200745397" pbc="T T T" energy=-961.42746868 free_energy=-961.42746868 config_type=crystal 
Hf       2.76705598       3.01526279      -4.14526102       0.92545850      -0.47284656      -0.02880434 
Hf       2.82758724       2.01513619      -9.32976473      -0.48524147       0.80169778      -1.18255636 
Hf       7.97247128       3.10881102      -4.11313165       0.98188376       0.07850211      -0.57067082 
Hf       8.10536460       2.13490041      -9.38094899      -0.83679064       0.21163897      -0.91444542 
Hf       2.81080577       8.24271575      -4.18637953       0.51002366      -0.70996290       1.34449449 
Hf       2.86831242       7.27844772      -9.38186769       0.42508187       0.31063452      -0.61330734 
Hf       8.05900051       8.11758939      -4.17245775      -1.02687273       0.51066395       0.47981859 
Hf       7.95269304       7.20569862      -9.45007571      -0.23033551       0.57071742       0.13169314 
Hf       0.22743213       0.80122395      -3.77008247      -0.92453216       0.85589350       0.68953242 
Hf       0.17644726      -0.12685220      -8.91481437       0.07027318      -0.30499633      -1.18905228 
Hf       5.42798227       0.84231162      -3.74223681      -0.58983098      -0.46028809      -0.02528318 
Hf       5.42785062      -0.05036016      -8.96036980       0.68905871      -1.03385780      -0.76018338 
Hf       0.29133213       5.98255007      -3.68717248      -0.45750834       0.28133687       0.38182094 
Hf       0.29044490       5.05666068      -8.98345922      -0.49796841      -0.80630191      -0.12601500 
Hf       5.30681720       5.92039912      -3.74093327       0.87161560       0.44529056       1.15538168 
Hf       5.36723385       4.92961534      -9.00769299       0.24678676       1.31301719      -0.29457515 
Hf       2.30001565       1.19215510      -1.07741893       1.31015898       0.49569911      -0.54371207 
Hf       2.39466978       0.27434457      -6.36196885       0.12434030       1.69822714      -0.45503327 
Hf       7.58580673       1.22892567      -1.16827083      -0.83476666       0.16182303       0.78767571 
Hf       7.55196637       0.33552106      -6.31848625      -0.08052394      -0.68231412       0.45403120 
Hf       2.45036239       6.29345422      -1.05856135       0.64728670       0.83237591      -0.06538178 
Hf       2.33585209       5.47408711      -6.30478540       0.90864850      -0.26209463       0.06864463 
Hf       7.54589304       6.31264771      -1.12319854      -0.31113062       1.13708844      -0.41635810 
Hf       7.54812841       5.50114278      -6.40022616      -0.20869902       0.18678469       0.55084020 
Hf       4.93499103       3.47865894      -1.46165613      -0.08301876       0.17420590      -0.62626057 
Hf       5.00314773       2.58072934      -6.78332530      -0.79723249      -0.06993564       0.67957077 
Hf      10.20064437       3.55075305      -1.51211154       0.14129581      -1.41124479      -0.61572581 
Hf      10.12219152       2.59953753      -6.73367896       0.70701471      -0.04961968      -0.12559492 
Hf       4.98707561       8.61142973      -1.56932272      -0.10274079      -0.47727624      -0.10505866 
Hf       4.94467354       7.64856959      -6.81446699       0.87348857       0.98607746       0.04997057 
Hf      10.17367086       8.63220529      -1.49908536       0.02600314      -1.05392576      -0.82243650 
Hf      10.21086333       7.69879019      -6.79781684      -1.22987414      -0.12772706       0.34656747 
O       1.29083778       2.46719159      -2.75645953      -0.02697947      -1.10178651       0.02395449 
O       1.30315163       1.35637156      -8.00348635       0.26128491       0.66463175       0.29554940 
O       6.63927455       2.37806080      -2.78698725      -1.41970256      -0.40402309       0.58838360 
O       6.60258517       1.45976193      -8.09710778      -0.52085918       0.44273689       1.46251887 
O       1.36108345       7.66134147      -2.66286614      -0.26095556      -0.89986022      -0.86868817 
O       1.30743150       6.68030190      -7.97002203       0.88082749      -0.77365160      -0.10629656 
O       6.51212498       7.43479348      -2.74347451       0.14714206       0.38689682      -0.63317639 
O       6.43987564       6.58754190      -8.01395711       1.12043129      -0.21876449      -0.47435409 
O       3.97771747       1.49798508      -5.22997040      -0.32180227      -0.17410842       0.56549434 
O       3.92701792       0.56180789     -10.39436738       0.15474272       0.24611032      -0.07617117 
O       9.14184692       1.49498941      -5.14100714      -0.37183074      -0.17227911       0.60321585 
O       9.07278003       0.55825724     -10.39353175       0.43733772      -0.04284531       0.73148811 
O       3.94860635       6.56516131      -5.10720323      -1.54911236       0.83214199      -1.21596607 
O       3.90783546       5.71158098     -10.36476455       0.75864082      -0.30015564      -0.02923704 
O       9.18032800       6.61811621      -5.16536639      -0.00288035      -0.78134972       0.35915661 
O       9.06155207       5.55745317     -10.42202813       1.12206822       1.17141133       0.79767140 
O       3.85706204       1.88370759      -2.56209958      -0.36631935      -0.09526222       0.66553974 
O       3.87715614       0.98615538      -7.77609681       0.04700439      -0.02292073       0.39243524 
O       9.03078464       1.91086104      -2.50479936       0.96515710       0.28201290      -0.08779264 
O       9.05223385       1.06369205      -7.65103663       0.18564490      -0.85629346      -1.19781206 
O       3.85355406       7.00334370      -2.47815119      -0.06912430      -0.07347203      -0.17432373 
O       3.93367633       6.07417612      -7.80652856      -1.66354689       0.53547620       0.76231364 
O       9.02770808       7.06899786      -2.53504084       0.75716784      -0.29106521       0.09331511 
O       9.07155564       6.17488454      -7.74780718      -0.41918424      -0.94781664      -0.35657554 
O       1.19015322       2.77392264      -0.11023714       0.41181214      -0.14250515       0.27536186 
O       1.22676686       1.98871346      -5.40162494       0.50327281      -0.60455910       0.23827311 
O       6.52118095       2.80865736      -0.17869192      -0.64612485      -0.02097378       0.11636816 
O       6.49179221       1.96906615      -5.28623926      -0.11822813      -0.09724867      -1.45532105 
O       1.30338063       7.82194414      -0.08826057      -0.73626527       1.18070428       0.37157328 
O       1.29886802       7.15383409      -5.27013189      -0.18289122      -0.57716462      -0.86642523 
O       6.51597115       8.00514041      -0.19048502      -0.54056505      -0.58480220       0.20254489 
O       6.37707348       6.99700052      -5.43966404       0.89251537       0.72975124       0.13667893 
O       3.44251098       3.81920693      -5.99040072       1.05639414      -0.36464309      -0.78911264 
O       8.77834380       4.73446273      -0.82929147      -0.48279663      -0.12342455       0.88342950 
O       8.67079770       3.80234795      -6.09571770      -0.60956355       0.48794973       0.67564808 
O       3.49686428       9.79193245      -0.85504647      -0.76507757       0.33918324       0.88520670 
O       3.63416112       9.05737564      -6.01573968      -0.56547201      -1.43331998       0.08526389 
O       8.70852705       9.83682858      -0.84911080      -0.22253770      -0.23612716       0.90018171 
O       8.72828658       8.89380390      -5.98694897      -0.22492587       1.02614667      -0.59809274 
O       0.91914846       0.02045657      -1.92944984      -0.08957115       0.19270327       0.85890516 
O       0.95780150      -0.95156891      -7.18996161       0.26082121       0.18237259       1.34120489 
O       5.97513666       0.05249884      -1.92421288       1.49930256       0.71665797       0.96825813 
O       6.07853630      -0.85278107      -7.11684404       0.59666399       0.18123889       0.52171601 
O       1.08747446       5.14266550      -1.89226664      -0.91817867      -0.09274727      -0.17236659 
O       0.96647282       4.21436045      -7.08026032      -0.02702636       1.08788284      -0.54180820 
O       6.05996375       5.14820273      -1.83956987      -0.28753052      -0.48838961       0.40702174 
O       6.04913353       4.26908670      -7.06644165       0.46669129       0.21457954      -0.17043145 
O       1.84486223      -0.23282855      -4.42812746      -0.48767597      -0.85115710      -0.31354788 
O       1.83662273      -1.24865826      -9.63903185      -1.19858935      -0.10058432      -0.56575680 
O       6.87138522      -0.40549587      -4.45413153       0.50983577      -0.43355538      -0.39221129 
O       6.81800674      -1.36779435      -9.70179804       0.60840893       0.03378253      -0.67069971 
O       1.73322423       4.73365050      -4.42313643      -0.72394066       1.03280343      -0.46672469 
O       1.77350834       3.74134839      -9.77135371      -0.39047927      -0.06357283       1.03212291 
O       6.80473730       4.81651525      -4.43229871       1.74549087      -1.46767632      -0.63168874 
O       6.81272120       3.78377596      -9.76120426       1.11901813      -0.46636898       0.05639410 
O       4.26335062       4.20845730      -3.34539870      -0.34697783      -0.08674413       0.04078039 
O       4.33432943       3.27073751      -8.66609447      -0.78369031      -0.57364624       0.09263299 
O       9.54023567       4.27110598      -3.36804374      -0.36169049       0.36379373      -0.70497477 
O       9.55331445       3.35970000      -8.65698564      -0.30101922      -0.23251132      -0.34097444 
O       4.31094379       9.29185175      -3.44842477       0.52840765       0.83275136      -0.09970222 
O       4.28777686       8.56614933      -8.64496835      -0.76576758      -1.39022586      -0.00135893 
O       9.45913682       9.38322819      -3.38282237       0.44611906       0.24247676      -0.46184805 
O       9.43899336       8.40191648      -8.62794553       0.46776551       1.17516568      -0.60248062 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00027842340489106705 -0.0036252230026298984 -0.003877883804656751 -0.0036252230026298984 -0.0038005014871329225 0.0020222918796444344 -0.003877883804656751 0.0020222918796444344 -0.0052305716555866005" pbc="T T T" energy=-961.64585412 free_energy=-961.64585412 config_type=crystal 
Hf       2.74694183       2.98173082      -4.10830967       0.38960925       0.42372516      -0.76248313 
Hf       2.84454223       2.04274018      -9.32456484      -0.49813250       0.43808949      -1.21914549 
Hf       7.97345274       3.13967014      -4.11976865       0.56030976      -1.37562334      -0.15483940 
Hf       8.10254883       2.15660341      -9.39588681      -1.28064415      -1.09733656       0.24208229 
Hf       2.82134725       8.24359948      -4.16661774      -0.03258491      -0.36891774       0.56103595 
Hf       2.86109636       7.26846717      -9.36957644      -1.03057584      -0.19604731      -0.63524132 
Hf       8.08994769       8.14315697      -4.19182177      -0.71584341       0.31215578      -0.04554189 
Hf       7.92772287       7.21041107      -9.39168784       1.38582190       0.65268269      -0.78413572 
Hf       0.16954281       0.83515055      -3.78481395       0.43481694      -0.19357175       0.74269239 
Hf       0.16934342      -0.13449607      -8.95818326       1.24883732       0.04337094      -0.40567105 
Hf       5.36256861       0.87543646      -3.70745425       1.01912826      -0.78426687      -0.81638442 
Hf       5.44095674      -0.08701319      -8.97525249       0.47133158       0.10124752       0.05792378 
Hf       0.23773691       5.99753000      -3.71912492       0.07481154      -0.48588109      -0.05230495 
Hf       0.23139031       5.07560578      -8.96705531       0.79370722      -0.30335165       0.03079031 
Hf       5.32261418       5.89559220      -3.75175307       0.41220107       0.60804816      -0.20022730 
Hf       5.38689063       4.96281617      -9.03602074       0.73936137      -0.08703615       0.66008170 
Hf       2.30127475       1.18183002      -1.15108148       0.72496976       0.02236465       1.41807500 
Hf       2.44482176       0.29210050      -6.34642074      -0.56912853       0.40311690      -0.29052949 
Hf       7.56965367       1.19216757      -1.12459669       0.97376563       1.26055621       1.16021464 
Hf       7.59010686       0.27833713      -6.31876136      -1.24533544       1.24363211      -0.65310911 
Hf       2.46361386       6.28989574      -1.08662154      -0.54973794       0.23222541       0.88486255 
Hf       2.33519781       5.46968233      -6.30598519       1.13894947       0.54779124       0.12903524 
Hf       7.54160309       6.32686645      -1.10602998       1.42572680       0.52782935      -0.28255534 
Hf       7.54290967       5.48899171      -6.37618727      -0.04930310       0.18374275      -0.41855568 
Hf       4.94382019       3.49028160      -1.48104231      -0.29496571      -0.67981492       0.61614639 
Hf       4.96255004       2.58340594      -6.75724311       1.26242078      -0.09780968      -0.37534103 
Hf      10.20524094       3.50909322      -1.51012704      -0.19612819      -0.52884932       0.18252324 
Hf      10.13640191       2.62756431      -6.76805861       0.54093701      -0.36092613       0.10394292 
Hf       5.00310669       8.63665338      -1.55069941      -0.40761737       0.46924424       0.09056391 
Hf       4.99659114       7.67803553      -6.82201996      -0.30749243       0.00323113       0.08453118 
Hf      10.19578452       8.61790452      -1.48665266      -0.26678492      -0.22349956       0.08803476 
Hf      10.19947993       7.71074879      -6.81616147       0.19617009      -0.30545404      -0.11981796 
O       1.30068113       2.28426124      -2.73225348       0.20416335       0.87327467      -0.56638774 
O       1.42275380       1.40372235      -7.94881610      -0.69975705       0.05347351      -0.05556688 
O       6.46954420       2.31383826      -2.73658843       1.01753102       1.13847018      -0.29192104 
O       6.55047296       1.48032332      -7.88396922       0.67623083      -0.39429716      -1.43934731 
O       1.37921555       7.45318626      -2.70056702       0.30617912       0.66070124      -0.13605857 
O       1.43876129       6.57423018      -7.89225649      -1.37323212       0.53345755      -0.81365802 
O       6.56453071       7.53001037      -2.86620996      -0.24909700      -0.68659295       0.83875398 
O       6.52248805       6.61733783      -8.04102678      -0.61478786      -0.27873424       0.14837083 
O       3.92377313       1.43245243      -5.15741304      -0.32302144       0.44656745       0.39390307 
O       3.97785888       0.62792972     -10.41896091      -0.34011822      -0.26950781       0.28637208 
O       9.11734650       1.56730538      -5.07987294      -0.09755841      -0.43596705      -0.57220465 
O       9.12860210       0.59608068     -10.36007720       0.20423987      -0.23868320      -0.11689594 
O       3.83318212       6.69411423      -5.14254936       1.37710631      -1.50573585       0.94377154 
O       3.99436303       5.63858144     -10.40760967      -0.93121779       0.38497066      -0.16541117 
O       9.13844566       6.49261327      -5.18374515      -0.26053559       1.13885485       0.14924671 
O       9.18342213       5.69625887     -10.32405725      -0.96503948      -0.13127784      -0.83254085 
O       3.80576650       1.79698440      -2.50358665       0.35058608       0.82157686      -0.29768866 
O       3.90361908       0.94318138      -7.74267355       0.17303895      -0.00651782       0.16104497 
O       9.14790644       1.94762582      -2.45207550      -0.96244020      -0.34712457      -0.30129168 
O       9.13792687       0.91589594      -7.77063420      -0.44545340       0.85043872       0.78408393 
O       3.93533909       7.00852334      -2.50707547      -0.13476794       0.18475828       0.07696846 
O       3.82609823       6.13458557      -7.72443908       0.99112041      -0.52002001      -0.58254760 
O       9.15670328       6.98865486      -2.55963111      -0.93976775       0.93644994       0.79564554 
O       9.04193042       6.11039515      -7.78332583       0.20346554       0.25572694       0.13364985 
O       1.28390527       2.73111233      -0.13044068      -0.29833859       0.48796713       0.22830201 
O       1.30282309       1.98451096      -5.39635396      -0.38315031      -0.11501405       0.04449154 
O       6.46164061       2.79752311      -0.08734649       0.38081584       0.28835595      -0.24898523 
O       6.43586738       1.92514615      -5.44796864       0.16548005      -0.04194705       1.41584182 
O       1.21605696       7.98286341      -0.00765335       0.77793111      -0.73047109      -0.73186973 
O       1.23865720       7.08883322      -5.35999327      -0.10469554       0.21098841       0.38822085 
O       6.46376252       7.86639730      -0.16010546      -0.06196400       0.54777044      -0.17112303 
O       6.46291342       7.07449383      -5.42983161      -0.03908838      -0.55683809       0.29271964 
O       3.71659564       3.91354308      -5.90948552      -1.23365222      -0.12999887       0.02560615 
O       8.82115005       4.75660085      -0.72099400      -0.35400525      -0.06167977      -0.28680001 
O       8.62720106       3.82226818      -6.01740381       0.97109325      -0.68833738      -0.46595595 
O       3.43154496       9.77784747      -0.76252739       1.35376511      -0.65250579      -0.66524049 
O       3.51139012       8.83012500      -6.04537117      -0.37224672       1.57708264      -0.16999943 
O       8.60326037       9.74070382      -0.76084341       0.86739212      -0.03990837      -1.03554141 
O       8.80961807       8.99224107      -6.05885025       0.00408402      -1.06954742       0.46312016 
O       0.95440928      -0.03431662      -1.87215098      -1.08961583      -0.49683738      -0.54149049 
O       0.97139356      -0.91901291      -7.01758348      -0.58009359      -0.12538676      -0.94075729 
O       6.11606117       0.11452779      -1.76134345      -1.80082190      -1.96680073      -1.24477101 
O       6.10908917      -0.91845116      -7.14576223       0.53902273       0.24790353       0.14274617 
O       1.02856346       5.08682088      -1.87453388       0.32479027       0.33479866       0.04380827 
O       0.91265473       4.30344314      -7.07990414      -0.67740096      -0.95924744       0.08323826 
O       6.12337479       5.11891872      -1.81323650      -0.26051834       0.32250664      -0.63533982 
O       6.13673868       4.29537289      -7.20723045      -0.37431504      -0.47201979       0.53342339 
O       1.73296374      -0.33802156      -4.47075469      -0.02769260      -0.28018642       0.17075253 
O       1.61860961      -1.41755778      -9.79207556       0.11414619       0.52565971       0.85770978 
O       6.85993293      -0.45867502      -4.54781449       0.12776137       0.12056436       0.81051156 
O       6.82622754      -1.35848109      -9.78819528       0.21344504      -0.06275415       0.69035774 
O       1.61894013       4.72862046      -4.50106064       0.70646977      -1.05307388       0.40316433 
O       1.75035356       3.76321026      -9.63835330       0.31606531       0.52564424      -0.95264329 
O       6.78387036       4.64240296      -4.55912278      -1.12112488       1.36931509       0.59048388 
O       6.98710983       3.83866799      -9.72984259      -0.52577477       0.11281779       0.01075879 
O       4.22505033       4.19488895      -3.29527447      -0.06068625       0.49369984      -0.23437709 
O       4.42031504       3.18975674      -8.75171498      -0.41697009       0.40819542       0.28330178 
O       9.41809338       4.34305432      -3.38735452       0.01205020      -0.53458029       0.33520789 
O       9.57490434       3.27282587      -8.68541513       0.27927016       0.56800723       0.68418351 
O       4.32528094       9.46397477      -3.39874839      -0.61929031      -1.31148950       0.26115459 
O       4.29410060       8.44898348      -8.68372895       0.40657927       0.73618076       0.05823364 
O       9.50076647       9.42787700      -3.43747802      -0.37524932      -0.75517128       0.27407940 
O       9.49863105       8.46319507      -8.76537005      -0.32732894      -0.70341205       1.00154303 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.000415351816622888 -0.0006395623345747924 -0.0019799373669652292 -0.0006395623345747924 -0.0008670758217070596 0.0015951900163939778 -0.0019799373669652292 0.0015951900163939778 -0.0033990153390709124" pbc="T T T" energy=-961.64120704 free_energy=-961.64120704 config_type=crystal 
Hf       2.86487282       3.05538753      -4.13385854      -0.61933940      -1.66867135      -0.33016846 
Hf       2.79748396       2.12855224      -9.45597651       0.52767859       0.19310547       0.91655415 
Hf       8.13491637       2.95382596      -4.11043667      -2.58952440       0.26357015      -1.01365391 
Hf       7.98919736       2.12584090      -9.51841047      -0.16464926       0.76077591       1.41523029 
Hf       2.80790813       8.16542140      -4.16984363      -0.03696803       0.11635834       0.16119362 
Hf       2.82675924       7.31978638      -9.33060509      -0.34300920      -0.46980125      -1.03929910 
Hf       8.02736310       8.10868572      -4.20400718      -0.61929045       0.42932094       0.96728960 
Hf       8.00170458       7.26577828      -9.43890340       0.30337591      -0.71095004       0.11073220 
Hf       0.22253955       0.73572162      -3.71033005       0.75426861      -0.36689499       0.54906373 
Hf       0.15433391      -0.07622009      -8.98192739       0.60091976      -0.69474691       0.12743684 
Hf       5.44732152       0.80122993      -3.70047892      -0.57485283      -0.60997665      -0.46345084 
Hf       5.46265791      -0.06097333      -9.00344561      -0.73159976       0.26645807       0.59742313 
Hf       0.20764495       5.92886741      -3.65210399       0.02107001       0.06156233      -0.85916769 
Hf       0.24866937       5.04410344      -8.98078609      -0.67146761      -0.28419408       0.77025435 
Hf       5.40939008       5.85435037      -3.70627472       0.14695826       1.38403967      -0.45679833 
Hf       5.44299770       5.02755238      -8.95102449      -0.92014082      -0.00207671      -1.55830053 
Hf       2.37407508       1.25556253      -1.05119834       0.17450126       0.04718830      -0.79741020 
Hf       2.38157136       0.33736905      -6.41429579       0.54714154       0.10271554       0.15564853 
Hf       7.50450756       1.21987155      -1.11040946       0.39888302      -0.38924964      -0.11505375 
Hf       7.61879717       0.32110260      -6.27691296      -0.21599423       0.62474187      -0.99166157 
Hf       2.39594924       6.32096728      -1.09534395      -0.38924936       0.67268021       0.91408942 
Hf       2.36627893       5.47304073      -6.29234567       0.20354398       0.09832086      -0.11156543 
Hf       7.57175438       6.46566159      -1.14661852      -0.17043680      -1.12317197       0.81234110 
Hf       7.52395279       5.45144957      -6.38916358       0.84118361       0.15370097       0.96311820 
Hf       4.86628687       3.55573239      -1.53536341       0.35923464      -1.06593002       1.33513400 
Hf       5.09686643       2.64281118      -6.76875847      -1.17992198      -2.14092867      -0.67385808 
Hf      10.17031064       3.43562165      -1.50623079      -0.37529337      -0.28817683      -0.21404147 
Hf      10.19560217       2.55946402      -6.78483823      -0.82965132       0.24056817      -0.64138320 
Hf       4.85242310       8.55367714      -1.52377990       0.78559272       1.06511798       0.04321427 
Hf       4.95961499       7.72587071      -6.80408538       0.24777640       0.28698075       0.37486919 
Hf      10.21723632       8.56879949      -1.44994356       0.22865119       0.55060698      -1.09525294 
Hf      10.14390765       7.70072740      -6.78852194       0.42392263      -0.70260117      -0.28673608 
O       1.36011964       2.33108613      -2.60379678      -0.31279630       0.70716177      -1.73597816 
O       1.24919462       1.45142957      -8.06153873       0.61227764       0.15986783       0.47344520 
O       6.53868070       2.33007422      -2.77111950       0.33359122       0.17402512       0.03457059 
O       6.51140929       1.54614020      -8.01952484       0.58686546       0.22250160      -0.57056340 
O       1.29855818       7.58239742      -2.71822648       0.22506665      -0.74739699      -0.07639484 
O       1.45212654       6.57789322      -7.97013555      -2.05095680      -0.06134650       0.59721981 
O       6.54815395       7.52296541      -2.69951580      -0.06580578      -0.57082422      -0.78082825 
O       6.50282109       6.63513023      -7.99889675       0.15492755       0.20126859      -0.20926578 
O       3.97339604       1.42186662      -5.14809724       0.11479326       0.25489016      -0.08833308 
O       3.94502991       0.61989194     -10.42925138      -0.63042247       0.17861705      -0.32324422 
O       9.11469500       1.33531588      -5.00547483       0.28845689       0.60975064      -1.04329560 
O       9.11547781       0.54565977     -10.39575619       0.05700591      -0.18495177      -0.20738629 
O       3.90698148       6.55910908      -5.09935583      -0.17082351       0.03184758       0.01935778 
O       3.84995445       5.74096987     -10.32750701       0.56346624      -0.50336270      -0.45399900 
O       9.03859939       6.47841622      -5.10367903       0.56040568       0.21655445      -0.19196393 
O       9.13134992       5.61081291     -10.39369303      -0.15609798       0.54099932      -0.39003922 
O       3.88068136       1.91443064      -2.55525068      -0.00481817      -0.04933171       0.29054097 
O       3.83991462       0.97641234      -7.88870214      -0.13925395       0.07536652       1.03980393 
O       9.03160132       1.90898611      -2.47745300       0.21116502      -0.42356402       0.26660040 
O       9.09687637       0.98501930      -7.79183446      -0.59376129      -0.29806618       0.60057914 
O       3.78622828       6.96823185      -2.51960088       0.30268146       0.30665950       0.66780847 
O       3.78761517       6.19834158      -7.66800547       1.38476533      -0.08804626      -0.40708587 
O       9.12812539       6.99774320      -2.50310877      -0.54278818       0.06149965      -0.00811641 
O       8.98265139       6.02188824      -7.80137623       0.68373369       0.98149047       0.31206001 
O       1.26049521       2.90568531      -0.11170375      -0.31936094      -0.43550011       0.27827293 
O       1.29492085       1.90278216      -5.44698011      -0.30178221       0.49735307       0.50535936 
O       6.36177013       2.77213233      -0.12827956       1.13347610       0.01085872      -0.30943218 
O       6.53083634       1.85602385      -5.43046878      -0.45761836       0.65825875       0.84916536 
O       1.27798592       7.96386037      -0.03493419      -0.52866091       0.05680028      -0.82931864 
O       1.19146095       7.09516971      -5.32425537       0.09869701      -0.65504022      -0.00116613 
O       6.37960560       7.91707025      -0.15242660       0.34824606       0.32229163       0.32928586 
O       6.38478859       6.99347826      -5.39192009       0.45802665       0.57780229      -0.07389960 
O       3.60714261       3.78301199      -5.97507112      -0.84155785       0.64042325       0.07798452 
O       8.56000048       4.64812487      -0.91012802       0.65585329      -0.43664598      -0.05354260 
O       8.63198174       3.68781284      -6.06668274       0.09094099      -0.04819823       0.24035223 
O       3.49959204       9.87463221      -0.73278143       0.35800836      -0.57810507      -0.80894370 
O       3.47225216       8.85987558      -5.99553813       0.38134489       0.56128943      -1.15609647 
O       8.78101567       9.79048358      -0.81176137      -1.30429738       0.62732628       0.69198277 
O       8.70505617       8.88367809      -6.05785112       0.07615619      -0.32950217       0.30472882 
O       0.89586474       0.05950717      -1.88071883      -0.09670104      -1.04346486       0.56101829 
O       0.93694651      -0.94969685      -7.09980978      -0.19789059       0.46063999      -0.39723812 
O       6.06050353       0.01363527      -1.79232312      -0.14533758      -0.24836566      -0.09840059 
O       6.16820320      -0.70502878      -7.13385814      -1.36343195      -2.12199079       0.08288273 
O       0.85155148       5.13674501      -1.77069895       0.61795022       1.01460867      -0.20320864 
O       0.84444712       4.26884853      -7.04193528       0.48075469       0.34779991      -0.05791768 
O       6.04914154       5.15096366      -1.82957867       0.32626632       0.65027145       0.23168235 
O       5.98963673       4.38006774      -7.08798203       0.41228415      -0.33124781       0.15860561 
O       1.74943672      -0.34360276      -4.54163731      -0.44274126      -0.64764576       0.84062889 
O       1.68434818      -1.27792864      -9.78789139      -0.73147906       0.14650639       1.16840459 
O       6.85732590      -0.48455915      -4.44808487       0.24261424       0.01755182      -0.39207520 
O       6.91777176      -1.35791575      -9.68769975      -0.00748537       0.59427679      -0.49490235 
O       1.76717327       4.74109446      -4.39906489      -0.71061623       0.33136826       0.07457764 
O       1.80283266       3.93577764      -9.62458262       0.20742071      -1.12118779      -0.68745737 
O       6.74800338       4.65834966      -4.52637944       0.99776771      -0.88098698       0.29968430 
O       6.93791615       3.84949472      -9.68539823      -0.58440182       0.66377338      -0.41871121 
O       4.17242567       4.30285423      -3.25335225      -0.22247333       0.20082102      -0.87665331 
O       4.34060829       3.32217212      -8.73766888      -0.06761651      -0.00020303       0.34644011 
O       9.54871778       4.13047546      -3.48906340       1.03901748       1.23941583       0.54058417 
O       9.38013868       3.37596695      -8.69799347       1.24450935      -0.35725564       0.03145564 
O       4.33417721       9.30753845      -3.44387749      -0.34168588       0.03345529       0.52648577 
O       4.31368838       8.47665198      -8.74296401       0.88746099       0.61549825       1.17483680 
O       9.37459265       9.38590764      -3.41140328       0.96870785      -0.18836145       0.15537574 
O       9.50937555       8.37942694      -8.66426496       0.12432484       0.48146544      -0.13406939 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.005484090184522059 -0.0049278283227336935 -0.000867312886706679 -0.0049278283227336935 -0.0021854242625583067 9.617561384902716e-05 -0.000867312886706679 9.617561384902716e-05 -0.0031442689055621005" pbc="T T T" energy=-961.64647078 free_energy=-961.64647078 config_type=crystal 
Hf       2.73322975       2.98973275      -4.20007765       1.42677642       1.29942657       0.75317252 
Hf       2.85330904       2.14904484      -9.38313007      -0.88024300       0.43984498      -0.96498377 
Hf       7.92001140       3.02109539      -4.17677223       0.48493171       0.32063380      -0.07610404 
Hf       7.98632507       2.17348000      -9.41132614      -0.14925418      -1.72078690      -0.41846786 
Hf       2.82218096       8.17134910      -4.17616708       0.12229614      -0.73047208       0.91583730 
Hf       2.79231697       7.18512980      -9.48421511       0.27924837       0.51112878       0.43242908 
Hf       7.98689706       8.21505355      -4.14692263      -0.35185870      -0.72329884      -0.30226807 
Hf       8.07768600       7.25258205      -9.34634600      -0.45712075       0.34059050      -0.90769987 
Hf       0.26570094       0.73405795      -3.76862194      -1.34976806       1.85238490       0.50764580 
Hf       0.26342619      -0.14564407      -8.95971845      -0.69623175       0.25543609      -2.22245796 
Hf       5.38321122       0.81741758      -3.65698802       0.07292483       0.66165532      -0.49569644 
Hf       5.39065378      -0.12064648      -8.87676624       0.75492494      -0.71963329      -1.49876020 
Hf       0.17573116       5.86518037      -3.71106078       0.06816421       0.12390086       0.05527472 
Hf       0.22038782       4.93999508      -8.95106586      -0.28489863       0.64772053      -0.37347932 
Hf       5.44400940       5.95530626      -3.71150926      -0.07717944      -1.00691925       1.02058212 
Hf       5.43384915       5.10289070      -8.96720988       0.04785757      -0.89036474       0.59773144 
Hf       2.46459886       1.24577421      -1.12748635      -0.98874790       0.45024723       0.41137686 
Hf       2.32659236       0.37486573      -6.35192084       1.60679219       0.44593452       0.49100863 
Hf       7.60237011       1.17882620      -1.09019489      -0.27045574       0.39441658       0.75052070 
Hf       7.54494118       0.34760938      -6.34711441       0.13509884       0.57939449      -0.05278362 
Hf       2.37042600       6.32750828      -1.12436599       0.21338744       0.34769702      -0.38629822 
Hf       2.38245474       5.49878508      -6.38343383      -0.05815185      -1.11078494       0.13631819 
Hf       7.60357622       6.42670505      -1.03326008      -0.08151125      -0.33131542      -0.35598545 
Hf       7.63400970       5.53254238      -6.33623402      -0.45866945      -0.46306781       0.27064155 
Hf       4.95779347       3.51390284      -1.38320489       0.75440778       0.58809132      -1.69447047 
Hf       4.89416289       2.55616392      -6.77054063       1.40383574       1.01537482       0.18421278 
Hf      10.08838139       3.38064984      -1.58271905       1.30441435       0.81415172       1.03259985 
Hf      10.13200328       2.48329714      -6.81321091      -0.59066111       1.65279482       0.39594106 
Hf       5.00168405       8.63063710      -1.54455289      -0.32325190      -0.66005228       0.83159303 
Hf       4.95383778       7.70783712      -6.75599522       0.71352284       0.09560701      -0.30228418 
Hf      10.24230094       8.64021737      -1.64613786      -0.40036909      -0.64014387       1.61517280 
Hf      10.25959766       7.75637617      -6.75908176      -1.94630247      -0.89684703      -0.13543222 
O       1.33266807       2.31030482      -2.82806995       0.30090587       0.03793149       0.59989058 
O       1.30061900       1.44443971      -7.98877041       0.16423490       0.07648583       0.03647508 
O       6.45823966       2.44032885      -2.73589203       1.17978673      -0.56649719      -0.03566933 
O       6.45674689       1.48936005      -8.03033823       0.47135435       0.27464974       0.53652168 
O       1.29753287       7.56493882      -2.74146050       0.38922852      -0.77402492      -1.21220148 
O       1.28882882       6.54481232      -8.05068784       1.00027677       0.48602169       0.56438179 
O       6.52335657       7.55377023      -2.62718630       0.21433962       0.14505302      -0.84677188 
O       6.57141584       6.68427549      -7.98145308       0.15559078      -0.44865911       0.52510972 
O       3.89107789       1.39680932      -5.12356629      -0.73890340       0.10981779       0.18796228 
O       3.95774306       0.61679672     -10.35747641      -0.46116758      -0.09822562       0.41445728 
O       9.07034351       1.44124231      -5.26688972       0.22756263      -0.16878650       1.04199105 
O       9.14643974       0.44776519     -10.40950786      -0.16401610       0.33365819       0.00492836 
O       3.94328600       6.46313828      -5.10152347      -0.25344261       1.05964526      -0.78954613 
O       3.87743782       5.66494013     -10.36190871       0.79833980      -0.26625362      -0.54031410 
O       9.11043602       6.62129247      -5.14756475       0.82463759       0.38622521       0.48909358 
O       9.17221599       5.72970348     -10.38759167      -0.12199252      -0.54835981       0.46672175 
O       3.95873793       1.96776349      -2.44693463      -1.30651062      -0.71519961      -0.04359972 
O       3.88170750       1.02700539      -7.76433353      -1.20229914      -0.92575475       0.43533729 
O       9.08407886       1.91410370      -2.57271651      -1.03625772      -1.41324291      -0.10899403 
O       8.98426251       0.99310447      -7.81433595       0.54778698      -0.27522371      -0.01234873 
O       3.84836276       7.02347861      -2.54331834      -0.05214606       0.04400183       0.33354799 
O       3.98260994       6.11262382      -7.77801453      -1.56415532      -0.05086382       0.68962115 
O       9.00165306       7.02272602      -2.49379338       0.68492497       0.25631776      -0.47727853 
O       9.16834186       6.15194971      -7.69843438      -0.58901661       0.00354212      -0.31973105 
O       1.21127254       2.90353142      -0.20216829       1.08116568      -1.35074024       0.87735711 
O       1.18366241       1.99541641      -5.34219877       0.48978948      -1.36499672      -0.66487959 
O       6.48591972       2.71764273      -0.09284313      -0.26622239       0.63713363      -0.01840989 
O       6.32751489       1.94407289      -5.32845119       0.84863511       0.11007092      -0.26532736 
O       1.28332601       7.94726549      -0.23495584       0.20437331      -0.07879263       0.71390369 
O       1.33014084       7.11375900      -5.36773325      -0.27230847      -0.36856958      -0.41606297 
O       6.44071341       7.92971563      -0.03032474      -0.02007929       0.40698802      -0.54960644 
O       6.50159774       7.12803395      -5.30344436      -0.82387223       0.12286425      -0.46154321 
O       3.38786634       3.69557115      -6.08386212       0.11854777       0.46698535       0.09168755 
O       8.74385550       4.66294458      -0.75487866      -0.20612031       0.23895235       0.04162916 
O       8.75367038       3.85832495      -5.95908094       0.18681432      -0.61110036      -0.61125227 
O       3.57251633       9.87175792      -0.72984306       0.18012203      -0.24557003      -0.50689725 
O       3.50760109       8.94598387      -6.00757411      -0.20951169      -0.17201170      -0.15242215 
O       8.75084682       9.78159274      -0.79188828      -0.39380399       0.52832639      -0.29171623 
O       8.63169902       8.91241828      -6.11339806       0.57296432      -0.10475283       0.39790107 
O       1.04954822       0.00075519      -1.92840146      -0.65650680       0.02376218      -0.05613679 
O       0.95646344      -0.85107441      -7.12266746      -0.20420125      -0.53753693       0.34845702 
O       6.05584504       0.07219302      -1.82094624       0.34838389      -0.35768761      -0.11051733 
O       6.05191730      -0.79096824      -7.00143999      -0.97389821      -1.14695452      -0.57944658 
O       1.02774377       5.10314547      -1.95539237      -0.58638428      -0.21017031      -0.00616390 
O       1.02039326       4.17104469      -7.15476040      -0.68835207       0.07555787      -0.40016629 
O       6.09601143       5.20188401      -1.72941264      -0.19323019       0.13472636      -0.07108049 
O       6.03785414       4.33663824      -6.95606791       0.07130406      -0.03591077      -0.84772944 
O       1.70961000      -0.37498576      -4.42973258       0.93300898      -0.73368374      -1.33303790 
O       1.69855774      -1.42405929      -9.80026444      -0.93935454       1.66988035       0.42773390 
O       6.87637329      -0.33737256      -4.46141190       0.46509130      -0.64691594       0.54178485 
O       6.82518373      -1.39950390      -9.72961976       0.46668558       0.17895964       0.20381277 
O       1.55248764       4.63864100      -4.58750608       0.46077804       0.65782953       0.05289443 
O       1.66340622       3.83081068      -9.81380411       0.45487766      -0.81718849       0.39700663 
O       7.01134249       4.84240611      -4.42675745      -0.42283885      -0.33658364       0.40411362 
O       6.98660008       3.87853140      -9.66628559      -0.84136318       0.22959268       0.50420328 
O       4.39431167       4.21415378      -3.40789587      -1.01844015      -0.02975992      -0.04110404 
O       4.29451070       3.32144516      -8.69509793       0.44113203       0.68021925      -0.07216181 
O       9.45289661       4.18725155      -3.36681286      -0.10812496       0.75924178      -0.50581233 
O       9.35717093       3.35466891      -8.57366423       1.11294662       0.54589854       0.07121517 
O       4.28757310       9.33806031      -3.35001423      -0.07020874       0.62381844      -0.64272416 
O       4.28530397       8.39810324      -8.66871594       0.06030221       0.64634910       0.69465753 
O       9.53276910       9.34164366      -3.50763253       0.05755198       0.28786312       0.18416097 
O       9.46140138       8.50875521      -8.65016257       0.88586108       0.19532863       0.51995180 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0017152490582641262 -0.00507642097282562 0.0036368808434431503 -0.00507642097282562 0.003753667861535182 -0.00022944754356510458 0.0036368808434431503 -0.00022944754356510458 -0.007073208804121379" pbc="T T T" energy=-961.60909428 free_energy=-961.60909428 config_type=crystal 
Hf       2.78824512       2.99898470      -4.17383815      -0.11284378      -0.55979099       0.78882839 
Hf       2.88824204       2.19882099      -9.34863785      -1.66483080      -1.18947666      -0.35536896 
Hf       7.97694544       3.09205476      -4.12000680       0.04165390      -0.43824644      -0.07772769 
Hf       8.12417010       2.12172293      -9.39832967      -1.81528505      -0.40171295      -0.04395205 
Hf       2.85432677       8.18255549      -4.17110580      -0.47517323      -0.81717025       0.71121613 
Hf       2.79075541       7.16587731      -9.41227360       1.12583512       1.11740185      -1.49805921 
Hf       8.08214032       8.12091751      -4.21065142      -1.35038610       1.02765401       1.03971121 
Hf       8.00367863       7.30002786      -9.37334027      -0.32296226      -0.40512490      -1.15055799 
Hf       0.22018656       0.77698006      -3.75894398      -0.11894312       0.43591554       1.02389867 
Hf       0.27952408      -0.18907986      -9.02785685      -0.02383212       1.34746712      -0.23965576 
Hf       5.45355060       0.74688448      -3.78749990      -0.18981446      -0.76601069       1.12462104 
Hf       5.43001794      -0.12682001      -8.91070718      -0.07561880       0.12155145      -0.51662557 
Hf       0.25775319       5.92798986      -3.66473787       0.09093309       0.92643535      -0.00728047 
Hf       0.22204715       5.02293791      -8.95436892      -0.78677485       0.68287819      -0.17498196 
Hf       5.41220107       5.87936129      -3.73031938      -0.67383021       0.71330609       0.62980536 
Hf       5.43323404       4.99372048      -8.99655523       0.82219620       0.56555052       0.36634927 
Hf       2.35675154       1.29963472      -1.13546627       0.08142331      -0.51216023       0.61758156 
Hf       2.37284767       0.33715354      -6.41057617      -0.19661294      -0.28859026       1.50078202 
Hf       7.50739876       1.23333616      -1.16165683      -0.72033156      -0.63555657       1.11919643 
Hf       7.59245839       0.41774049      -6.35245921      -0.67600829      -0.86946644       0.12009599 
Hf       2.36325649       6.25436178      -1.03405151       0.41516971       1.16915515      -0.85803154 
Hf       2.33041963       5.50470674      -6.36586677       1.60528119      -0.39197079       0.79821046 
Hf       7.56744584       6.42643061      -1.06510804      -0.22713743      -0.15908597      -0.09658858 
Hf       7.59777168       5.52314598      -6.35271437      -0.21192911      -0.37096193      -0.79632248 
Hf       4.93468036       3.46845172      -1.47698530      -0.09193147      -0.45511163      -0.43596836 
Hf       4.94204833       2.59968292      -6.72958887       0.69402302      -0.00205195       0.45940779 
Hf      10.09324935       3.42243152      -1.52480780       0.68820995      -0.03325645       0.61759951 
Hf      10.10408300       2.59255630      -6.73894458       1.30039935      -0.33534940      -0.49879960 
Hf       4.91728659       8.55702407      -1.51056176       0.48882258       0.22761915      -1.07418221 
Hf       4.96483144       7.67476094      -6.82106052      -0.01404924       0.09086556       0.80723717 
Hf      10.14895058       8.67170608      -1.54049725       0.07647511      -0.25750169       0.02296531 
Hf      10.21989395       7.73735180      -6.78003736      -0.78083709       0.00750139      -0.02342670 
O       1.29124425       2.40093361      -2.71421421      -0.17695551       0.14773765      -0.64340034 
O       1.29491659       1.42028842      -7.96347187       0.25852817       0.17022663      -0.35645101 
O       6.48631424       2.37109408      -2.78053149      -0.17503385       0.02201905       0.18211023 
O       6.56631452       1.44051040      -8.03924032      -0.31649020      -0.03135831       0.78638689 
O       1.23665769       7.59960949      -2.77964083       0.47952288      -0.65295822       0.12283274 
O       1.44279574       6.55065317      -8.00779810      -1.32511611       0.34088969       0.42385937 
O       6.45323154       7.46198845      -2.71804083       0.94755104      -0.30110221      -0.20284800 
O       6.56423999       6.59982414      -7.96310624      -0.28688482       0.05608143      -0.06852524 
O       3.92004489       1.40161442      -5.09273626      -0.29029759      -0.10016906      -0.27173888 
O       3.91413852       0.59287094     -10.36143408       0.17726600       0.45577971       0.22427555 
O       9.14260448       1.51197008      -5.11054389      -0.41507555       0.02872243      -0.02362654 
O       9.13406158       0.56011692     -10.44165435       0.17955924      -0.43711393       1.03114294 
O       3.97714569       6.51749285      -5.13100417      -0.01692417       0.33056284      -0.50614578 
O       3.99794405       5.58186886     -10.46972872      -1.05798216       0.15818213       1.07151869 
O       9.18910624       6.63311350      -5.16804845       0.70249451      -0.35297554      -0.01503040 
O       9.12720253       5.69573514     -10.37818052      -0.14791218       0.21836851      -0.16678816 
O       3.83094541       1.78670570      -2.52757187       0.17781278       0.47180356       0.32719541 
O       3.82788972       1.03223531      -7.64105908       0.80482808      -0.06129811      -1.17038390 
O       8.95300456       1.85867249      -2.41167041       0.92950493       1.05673987      -1.88286286 
O       9.07574355       0.98395851      -7.74922844       0.25514088       0.32671010      -0.00222671 
O       3.82775455       6.90389011      -2.49635794      -0.64640375       0.23730941       0.03686283 
O       3.91428212       6.01416858      -7.79611681      -0.21931399       0.71157767       0.04070187 
O       9.04843256       7.04064514      -2.54069204      -0.35092259       0.18302994       0.35025737 
O       9.12306719       6.14750442      -7.78537019      -0.02421040       0.31750623       0.59970484 
O       1.25918021       2.89635859      -0.11461399       0.00698143      -0.65622964       0.08613515 
O       1.29803566       1.90287863      -5.35940943      -0.62971349       0.15072192      -0.58541726 
O       6.46463343       2.84671766      -0.11274174      -0.31452616      -0.25863832      -0.34303110 
O       6.36984745       1.94648533      -5.31067055       1.09219700      -0.04451303      -0.74759582 
O       1.26913786       7.90349903      -0.12552483      -0.01260471       0.28977655       0.12438733 
O       1.38819152       7.11504657      -5.37689102      -1.26376728      -0.13674984      -0.85246516 
O       6.39267742       8.05617626      -0.10567999       0.89643902      -0.86583943       0.32879829 
O       6.53172357       7.03183014      -5.31492780      -0.55878208       0.67623924      -0.79208239 
O       3.52203456       3.74955886      -5.90726654       0.03161815       0.82628098      -1.55653579 
O       8.71514691       4.69476490      -0.67768602      -0.11748384       0.58419149      -1.36900437 
O       8.66809664       3.77700875      -6.01039740       0.09981985       0.22873227       0.02227537 
O       3.45260837       9.77381211      -0.82669268      -0.13713173       0.09483894       0.15864324 
O       3.55826614       8.90096486      -5.94366786      -0.22313850       0.49440185      -1.09792564 
O       8.61293114       9.80200562      -0.80037275       0.18782197      -0.08550070       0.36118162 
O       8.66011097       8.98986748      -6.05094174       1.78095283      -1.24185816      -0.74728428 
O       0.76294949       0.17201906      -1.76245389       0.40641605      -0.50177633      -0.27658314 
O       1.01735379      -0.99269632      -7.21662386       0.03457101       0.37703825       0.45315593 
O       6.15411323      -0.06960625      -1.94214210      -0.29033486       0.68881467       0.30563757 
O       6.07540093      -0.92130018      -7.03967398       0.34980566       0.78256686      -0.36550682 
O       0.84336331       5.13454765      -1.70697237       0.55245770       0.67410399      -1.13799358 
O       0.91123313       4.25662618      -7.01231240      -0.55886599      -0.14646496      -0.74096157 
O       5.99660602       5.13238940      -1.81336524       0.94333243       0.45619344       0.43415975 
O       6.19621668       4.20665330      -7.11333359      -0.38961513       0.40898684       0.15087711 
O       1.61880287      -0.42341609      -4.47612910       0.77723303      -0.46754378      -0.32988141 
O       1.73723031      -1.32258747      -9.77189239      -0.22269642      -0.39652301       0.29704460 
O       7.06951547      -0.38155302      -4.50265778      -1.49317682       0.52153950       0.49304079 
O       6.82859892      -1.31066254      -9.71069823       0.11740412      -0.09033110       0.09285713 
O       1.68233007       4.79824973      -4.53803446      -0.24528521      -0.87954594       1.22063703 
O       1.68369057       3.87741720      -9.64414038       1.41757497      -1.33991359      -0.04141598 
O       6.91773518       4.79328361      -4.54818107      -0.15871081      -1.17644618       1.23416102 
O       7.00632492       3.92891867      -9.65853301      -0.46030664      -0.40289125      -0.47747558 
O       4.21362610       4.15341835      -3.38522007       0.83552964       0.75728528       0.76034544 
O       4.33076899       3.32366341      -8.59511724      -0.19066502       0.06575434      -0.55027259 
O       9.42295033       4.34270280      -3.36142984      -0.44063379      -1.19571393       0.04868079 
O       9.43237994       3.40671865      -8.65041847       0.88424020      -0.27738326       1.02425736 
O       4.37249132       9.23893009      -3.43862132       0.07019688       0.83569139      -0.14089150 
O       4.16336637       8.51668909      -8.63155101       0.41645732      -0.59832200       0.40130134 
O       9.45635367       9.46408111      -3.38644192      -0.14226448      -1.00844072      -0.16000314 
O       9.45688773       8.49137106      -8.69408410       0.53574923       0.02826856       0.53719065 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0007448604507810829 0.00044943525617072844 -0.00364518844188592 0.00044943525617072844 -0.0012940616490613567 0.002333175001725752 -0.00364518844188592 0.002333175001725752 -0.0023888467478004535" pbc="T T T" energy=-961.72233711 free_energy=-961.72233711 config_type=crystal 
Hf       2.80983137       3.03645332      -4.14661686       0.69713480       0.43820377      -0.08133906 
Hf       2.82505669       2.15203847      -9.44357333      -0.22072341      -1.23258178       0.20498243 
Hf       8.01761170       2.93697438      -4.22055347      -0.89924648       1.46797092       1.37378768 
Hf       8.07039887       2.15867418      -9.44033085      -1.70690521      -0.95311244       0.75850262 
Hf       2.83602053       8.14548208      -4.17854357      -0.27150874       0.47931155       0.46348908 
Hf       2.80687897       7.31965437      -9.33883493      -0.09338555      -0.53244764      -1.44902369 
Hf       8.00438174       8.19836905      -4.11775800      -0.01133482      -0.50170794      -0.36812505 
Hf       8.04195835       7.18463835      -9.39867598      -0.42175092       1.32415983      -0.64825254 
Hf       0.20874986       0.81888198      -3.67972809      -0.14550481      -0.64103942       0.03086667 
Hf       0.15867217      -0.08697523      -8.89201582       0.63278280      -0.80609529      -0.61374181 
Hf       5.40841121       0.87431580      -3.65463883       0.08995182      -0.17588341      -0.14109106 
Hf       5.39985013      -0.08057563      -9.02687189       0.69879357       0.03526596       0.10243884 
Hf       0.14298511       5.89652920      -3.76446518       0.61646897       0.27787794      -0.05536712 
Hf       0.25982335       4.98028218      -9.02986886       0.13205840       0.49845533       0.47849239 
Hf       5.40071149       5.93761950      -3.72483450       0.09697794      -0.05171469       0.16116886 
Hf       5.39907782       5.07177124      -8.97591413       0.17159226      -0.81257930       0.12980500 
Hf       2.37981395       1.18812007      -1.03878150       0.06922881       0.19447311      -0.76365453 
Hf       2.31791034       0.37079459      -6.25360114       0.32098767      -0.37620063      -0.51163458 
Hf       7.64841044       1.27413041      -1.07207403      -1.42926510      -0.54167154      -0.06173699 
Hf       7.53478062       0.30238966      -6.27819519      -0.36532832      -0.22359254      -0.73265153 
Hf       2.35775774       6.37348688      -1.11653833       0.50564865       0.49998818      -0.16936472 
Hf       2.36906841       5.43703623      -6.36632565      -0.42228353       0.44936807       0.72494880 
Hf       7.64778235       6.34497174      -1.03778206      -1.27750654      -0.24725486      -1.14816906 
Hf       7.57678120       5.47022051      -6.27209361      -0.67481959       0.05144103      -0.26354942 
Hf       4.92867737       3.54598255      -1.49172014       0.25616528      -0.09850500      -0.20301928 
Hf       4.90369141       2.52227290      -6.87781450       1.58080067       0.47785760       1.22863052 
Hf      10.25587004       3.45669760      -1.55482257      -0.71910362      -0.42465377      -0.17903021 
Hf      10.19939141       2.53354641      -6.83490901      -0.49492297       0.44264636       1.05037627 
Hf       5.06558499       8.58187404      -1.54022906      -0.88282431       1.29845323      -0.18065522 
Hf       4.99133833       7.72024656      -6.81090435      -0.86524396       0.10976336       0.55883471 
Hf      10.17723088       8.55055533      -1.58217123      -0.03164380       0.70125721       0.90931601 
Hf      10.18717554       7.69767473      -6.84336523      -0.50742427      -0.62109163       1.06167708 
O       1.33701859       2.39792661      -2.81862142      -0.43033747      -0.17309594       1.19773129 
O       1.30130766       1.41079531      -7.88306942      -0.25639661       0.13594365      -0.64023699 
O       6.53996068       2.41262014      -2.79636616       0.52499088       0.13050117       0.24327449 
O       6.50910992       1.46167989      -8.02933784      -0.37981832      -0.14637648      -0.12459563 
O       1.26845781       7.51337943      -2.80968080       0.56306479      -0.15848090       0.33686181 
O       1.27668911       6.65404221      -8.09118408      -0.31133284      -0.62442065       0.93722638 
O       6.54668808       7.51654696      -2.76415068      -0.21916383       0.36692206       0.63866840 
O       6.47243644       6.68821885      -8.02539183       0.02423240      -0.31723064       0.25431385 
O       3.91815063       1.53471000      -5.14843672      -0.19812939      -0.91436643       0.12915853 
O       3.88442623       0.51595915     -10.38608137       0.47050662       0.66982928       0.05435562 
O       9.07261992       1.48016826      -5.12495752       1.20400671      -1.19089469      -0.47675743 
O       9.12354660       0.48508865     -10.31056883       0.25095048       0.41976919      -0.38693495 
O       3.87794798       6.63631311      -5.14262066       0.91791101      -0.56131401      -0.11749414 
O       3.91706350       5.74080779     -10.36255639       0.22861095      -0.17152091      -0.33724718 
O       9.09641297       6.60547989      -5.09720479       0.10957515      -0.27225175      -0.52895378 
O       9.15987294       5.58817178     -10.42770842      -0.54019378       0.28187200       0.64818184 
O       3.87727729       1.95788985      -2.50741621      -0.60925401      -0.39015368       0.32358864 
O       3.75830779       1.06447481      -7.74362008       0.00426820      -1.06632924      -0.05878909 
O       9.05171381       1.79814049      -2.52168724       0.63626889       0.87914517       0.00919314 
O       8.90467109       1.08357362      -7.69590384       1.12696598      -0.58278980      -0.37677917 
O       3.86941215       6.94114489      -2.53106941      -0.47964138       0.99240712       0.56118521 
O       3.73866431       6.11526447      -7.73080905       1.42086821       0.44463703      -0.75925950 
O       9.04557138       6.93748116      -2.46505696       0.26064351       0.42109720      -0.57058792 
O       9.03917252       6.04074705      -7.78796100      -0.15880856       0.21104606      -0.19032719 
O       1.34739984       2.82374254      -0.08093662      -1.31306179       0.11297093      -0.20364544 
O       1.23022277       2.00250560      -5.32758531      -0.13987840      -0.72900540      -0.16880545 
O       6.41418689       2.84844401      -0.18593921       0.49391291       0.06728432       0.48145945 
O       6.47758961       1.86684211      -5.39242317      -0.58679240       0.37550907      -0.01361206 
O       1.16080594       7.91588210      -0.06851653       1.09857214      -0.30110307      -1.03009971 
O       1.29477726       7.07729126      -5.42566277      -0.57510989      -0.37614845      -0.01694580 
O       6.48478614       7.95043396      -0.08239820       0.03854147      -0.03132051      -0.27872238 
O       6.43474346       7.09590380      -5.35325693      -0.11823054      -0.38132499      -0.27184341 
O       3.56346098       3.81531391      -6.04430159      -0.55741163       0.28981509       0.05120735 
O       8.64545858       4.55016179      -0.83342534       0.23920340       0.36610757      -0.23495835 
O       8.72278087       3.85503439      -6.05275928       0.30219446      -0.83233831      -0.15294740 
O       3.44174303       9.81033282      -0.84390114       0.56767597      -0.76803613       0.55636315 
O       3.34320688       8.91595297      -6.06816353       1.02257958      -0.16454985      -0.20978073 
O       8.71600037       9.77487863      -0.76674001      -0.29862005      -0.22418541       0.37741566 
O       8.69427426       8.89961097      -6.04790759      -0.62087232       0.23868521       0.50599679 
O       0.82932103       0.09739610      -1.78892439       0.02884857      -0.27357575      -0.47536449 
O       0.73759125      -0.86040989      -7.02717808       1.19357058       1.02486513       0.07725544 
O       6.06092070       0.19543495      -1.77327128      -0.23257652      -1.50384634       0.04325736 
O       5.98458227      -0.85134693      -7.06684183       0.62943718       0.53556980       0.23760152 
O       0.83174956       5.18763618      -1.86211494       0.80333482       0.19766231       0.82853684 
O       0.93386299       4.21166736      -7.13850234      -0.00249310       0.54299758      -0.21811125 
O       5.98946540       5.32044765      -1.78207770      -0.03466822      -0.74681121       0.59414836 
O       6.08499512       4.30052697      -7.10910438      -0.01726329       0.20721736       0.05381839 
O       1.68444751      -0.44030530      -4.39569220      -0.35307859       0.85566872      -0.15040608 
O       1.57504383      -1.41571090      -9.74439104      -0.17882890       1.27002913       0.58900365 
O       6.88990436      -0.43934481      -4.32697134       0.06694292       0.66326129      -0.93399744 
O       6.81490025      -1.29749177      -9.79443767       0.72322285      -0.65546221       1.03213149 
O       1.67905016       4.73289810      -4.46184946       0.13469854       0.04018223      -0.11761905 
O       1.89566776       3.88509429      -9.70966309      -0.82469698       0.25647409      -0.24194275 
O       6.88147336       4.70960617      -4.32214359       0.50578094       0.19036577      -1.43387073 
O       6.92695854       3.85322400      -9.69641030       0.30004723      -0.08301945       0.43473217 
O       4.31403147       4.21231856      -3.35557020      -0.39516960       0.56612251      -0.42202143 
O       4.35136920       3.21877495      -8.74140656       0.67972387       1.59593841      -0.32987721 
O       9.47981963       4.18769246      -3.41735532       0.16623927      -0.39690249       0.07972157 
O       9.72497106       3.12971661      -8.82226295      -0.19574227       0.84151655      -0.07450481 
O       4.35177650       9.44202362      -3.34580255      -0.91694556      -1.40258506      -0.54808106 
O       4.26567805       8.52677635      -8.68449832      -0.22823775      -0.58143698       0.30542892 
O       9.44636361       9.35089562      -3.32174960       0.35343136       0.49564106      -0.89934110 
O       9.43013137       8.48488215      -8.63184031      -0.30509809      -0.19890941      -0.30004504 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.004022522758309869 -0.003237054262725639 -0.002299610924393786 -0.003237054262725639 -0.006195157282374944 0.0011971687547420742 -0.002299610924393786 0.0011971687547420742 -0.008752273537107402" pbc="T T T" energy=-961.86875124 free_energy=-961.86875124 config_type=crystal 
Hf       2.83026638       3.00308494      -4.13226140      -1.20163429       0.14291436       0.39358368 
Hf       2.80722424       2.18516091      -9.44594698       0.28170154       0.23963077       0.62695038 
Hf       7.95961765       2.96349970      -4.09707856       0.73331895       0.17395055      -1.41127421 
Hf       8.02839839       2.13075019      -9.39660169      -1.05088062      -0.45403520      -0.27697309 
Hf       2.79885174       8.15911907      -4.05666633       0.13635962       0.02709757      -1.95883653 
Hf       2.88600262       7.28137505      -9.40354993      -0.83554565      -0.04257047       0.13731434 
Hf       8.02616364       8.19350208      -4.18190817      -0.99378727      -0.24094977       0.68883890 
Hf       7.97431607       7.34738197      -9.34409131       0.29951956      -0.65564316       0.72597972 
Hf       0.18405732       0.78048087      -3.81862016       0.94287107      -0.13835177       0.20565084 
Hf       0.28466437      -0.03728158      -8.99264755      -0.49423176      -0.95432343       0.23879583 
Hf       5.39815173       0.81316356      -3.69033368       0.26218523      -0.85692734      -0.57697084 
Hf       5.37392021      -0.05714769      -8.97604497       0.91625165       0.20773710       0.08056102 
Hf       0.15094314       5.92679377      -3.74035909       0.85213275      -0.19606991       0.14728321 
Hf       0.24683403       5.03959645      -9.00250550       0.05855875      -0.22228225       0.34316824 
Hf       5.45332119       5.96143799      -3.67603745      -0.61181087      -0.62417809      -0.99359007 
Hf       5.33818259       5.01480851      -9.02885787       1.83601820       0.01833408       1.33033961 
Hf       2.33567525       1.22300733      -1.13016484      -0.21456690      -0.26984269       0.18978851 
Hf       2.49207184       0.32743064      -6.38939229      -0.46889063       0.08384711       1.01745259 
Hf       7.57188717       1.16095259      -1.13610796       0.16908815       1.21788975       1.88455519 
Hf       7.52191567       0.26848047      -6.33857565       0.04433868       0.91027967      -0.39085334 
Hf       2.36662399       6.31986923      -1.09330516      -0.07321443      -0.00834601      -0.63499029 
Hf       2.37588673       5.43614488      -6.30955224      -0.10753371       0.15593828      -0.67246247 
Hf       7.56980069       6.42991462      -1.06349074       0.74703983      -0.59462526       0.34497060 
Hf       7.63897585       5.42197311      -6.27799504      -0.64434728       0.72617604      -0.80395607 
Hf       4.97843618       3.51107662      -1.48298796      -0.62506407       0.40490054       0.01319400 
Hf       5.00857884       2.61725201      -6.75053723       1.05713193      -0.20794908      -0.04176005 
Hf      10.08324266       3.41217422      -1.58049891       0.96206979       1.12520050       0.60296124 
Hf      10.15370061       2.53974443      -6.82049170       0.35438967      -0.26262272       0.33000202 
Hf       4.97322773       8.57742190      -1.53618959       0.18682971       0.42242163      -0.17930538 
Hf       5.00953922       7.66739647      -6.77565714       0.14776119       0.36913892       0.25078433 
Hf      10.13772740       8.62319684      -1.54006830       0.93952737       0.16784372       0.99018521 
Hf      10.20685195       7.73655913      -6.81851728       0.04147354       0.19914872       0.09154757 
O       1.28322440       2.25535213      -2.78803143      -0.22443405       0.81184645       0.16740259 
O       1.36522897       1.45800721      -8.05740559       0.06301474      -0.07159245       0.26522044 
O       6.51710027       2.37038936      -2.72564966      -0.24630033       0.02159980       0.38570763 
O       6.53682863       1.43236441      -7.99196490       0.31978879       0.65225187       0.30385764 
O       1.21491506       7.51591614      -2.82109924       1.14800352      -0.07790604       0.33437000 
O       1.33738765       6.54033463      -8.02488612       0.18030466       0.38566981       0.29459739 
O       6.54373880       7.51681590      -2.74561274       0.28738106       0.08597777       0.00711388 
O       6.51209817       6.59776198      -7.93815349       0.15619430       0.10497144      -0.82760944 
O       3.94439766       1.45080817      -5.03988881      -0.10698082      -0.21491346      -0.39466428 
O       3.94162969       0.77662077     -10.41262832       0.11158542      -1.04088432       0.02933870 
O       9.03131954       1.39536904      -5.17070815       0.74053246       0.09332280       0.76631545 
O       9.10905796       0.59560764     -10.35770837       0.79058628      -0.54882442      -0.52270071 
O       3.91436908       6.54091885      -5.11184271       0.03061846       0.57548956      -0.06413017 
O       3.93851696       5.70901535     -10.34935788      -0.17052227       0.01497322      -1.05185005 
O       9.04908195       6.56359047      -5.03276721       0.70256913       0.13854368      -0.10861202 
O       9.09266519       5.73709565     -10.22491682      -0.05588833      -0.20814688      -0.97143159 
O       3.76981972       1.95519711      -2.46615479       1.16510688      -0.55849611       0.04657960 
O       3.95297641       1.04518075      -7.73763348      -0.71818726      -0.28640598       0.12657844 
O       9.05153780       1.83871206      -2.55297867      -0.31506938       0.11638265       0.38653668 
O       9.05523010       0.92281304      -7.68724034       0.49883920       0.20694468      -0.84381129 
O       3.86226207       6.97921462      -2.52559146      -0.23919314       0.72248333       0.78137599 
O       3.85955145       6.12485211      -7.77703199       0.16575135       0.14461488       0.25073581 
O       9.16516971       6.99053985      -2.38084394      -1.12553609       0.24591463      -0.34836133 
O       9.10549232       6.16876992      -7.67223657      -0.06253396      -0.33257900       0.05328222 
O       1.33265311       2.84571792      -0.13410413      -0.97992151      -0.66828910      -0.41479364 
O       1.20674788       1.89558039      -5.39943210       0.39318765      -0.32602661      -0.21152029 
O       6.43314128       2.79583682      -0.07159708       0.26993906       0.12286008      -0.97102812 
O       6.50634018       1.86589512      -5.27387702      -0.88021203       0.31568500      -0.66263752 
O       1.26165383       7.89020391      -0.15494768      -0.26188177       0.40505100      -0.20021358 
O       1.23228805       7.05296855      -5.40504025       0.23670838       0.02689036      -0.04359394 
O       6.46652737       7.97186126      -0.17535221      -0.40957167       0.32302256       0.54766934 
O       6.48865912       7.00095651      -5.34132942      -0.57936760       0.18408619       0.06884566 
O       3.65661309       3.75902605      -5.83681444      -0.68912928       1.19999845      -1.29635956 
O       8.65624277       4.67003308      -0.81289880       0.07888099      -0.17534954      -0.36196234 
O       8.77313587       3.77586280      -6.02697783      -0.10191905      -0.20511207       0.01273935 
O       3.56720460       9.83919334      -0.77659155      -0.05458725       0.10540683      -0.27487570 
O       3.66301819       9.02188685      -6.03822679      -0.49569062      -0.92806891       0.42346734 
O       8.74290957       9.85063793      -0.63224673       0.26539038       0.05468549      -1.38027806 
O       8.62674618       8.86510857      -5.99207189       1.35504342      -0.10512275      -0.80973896 
O       0.99350172      -0.04036240      -1.93228615      -0.46557538      -0.17654831       0.36867064 
O       1.09623836      -0.88723688      -7.10671003      -1.37633038      -0.60518922      -0.66473647 
O       6.15761622       0.01671919      -1.81760422      -0.99486881      -0.77282901      -0.79088100 
O       6.08538850      -0.85943763      -7.13863696      -0.15910725      -0.80864358      -0.20413105 
O       0.95815487       5.06895687      -1.78585140      -0.24562975       0.12427792      -0.83440566 
O       1.05380169       4.09082829      -7.17913834      -0.16168217       0.92966425      -0.22451050 
O       6.09352223       5.24754637      -1.80057017      -0.57030721      -0.76008634      -0.10911803 
O       6.18515559       4.27887604      -7.08044156      -0.78723097      -0.75040562      -0.20723233 
O       1.70998436      -0.45917939      -4.45862767      -0.15175833       0.35655262      -0.34192430 
O       1.67175722      -1.39630793      -9.73909129      -0.23795059       0.95284849      -0.31403255 
O       6.72557042      -0.55297959      -4.58468278       0.25187247       0.59291206       0.97535390 
O       6.87386154      -1.27576998      -9.72564372      -0.01063216      -0.20105390      -0.07384903 
O       1.57816445       4.72132793      -4.60963186       0.22800071      -0.90530230       1.27391308 
O       1.81025694       3.90586380      -9.75070924      -0.28813631      -0.43355966       0.36690022 
O       6.88053761       4.66958872      -4.44175638      -0.39404578      -0.02057455       0.45469711 
O       6.90585959       3.85638052      -9.69682560      -0.13474785      -0.00181568      -0.07811159 
O       4.11073589       4.27859665      -3.30162775       1.38526535       0.83474892       0.73325832 
O       4.30685780       3.33211421      -8.60952551      -0.22013300       0.21975113      -0.04474847 
O       9.45885545       4.22888584      -3.47267703      -0.03962005      -0.64314606       1.04028010 
O       9.57247104       3.20428014      -8.80863939       0.72125497       0.99407913       1.01142469 
O       4.36662226       9.34100858      -3.47867223      -0.59548021      -0.31628756       1.25245199 
O       4.33130419       8.50272587      -8.70290931      -0.56311657      -0.58545200       0.23221863 
O       9.39655451       9.45028109      -3.32667983      -0.47615507      -0.61615066      -0.30428051 
O       9.49058730       8.50458945      -8.63176260       0.38322167       0.47020899       0.35077456 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003087544859773303 -0.0003461865706934675 0.0024106211761294478 -0.0003461865706934675 0.0008630470960870485 0.0010891411766629619 0.0024106211761294478 0.0010891411766629619 -0.0024311136421745496" pbc="T T T" energy=-961.98996219 free_energy=-961.98996219 config_type=crystal 
Hf       2.77830441       3.04267985      -4.18803999       0.04692169      -0.04679760       0.34313637 
Hf       2.79209275       2.00852736      -9.39986664       0.63244173       1.04510923       0.76049548 
Hf       8.04198069       3.07382337      -4.19566257      -1.08250110       0.09695789       0.81545534 
Hf       8.09828860       2.13323446      -9.35663541      -0.96868951      -0.44495673      -0.14195709 
Hf       2.83568700       8.12757330      -4.24573892      -0.82042820       1.01972220       1.05688456 
Hf       2.82425248       7.29567885      -9.40905475       0.31525237      -0.53933194      -0.36645763 
Hf       7.98537322       8.11342361      -4.14099726       0.02527442       0.62056089       0.13102903 
Hf       8.03885861       7.19097889      -9.51238629      -0.03814488       0.96449713       1.61951462 
Hf       0.22130404       0.75171423      -3.70384468       0.18475761       0.41209852      -0.34979050 
Hf       0.17381873      -0.16568946      -8.99512988       0.06131827       0.24356111       1.33512017 
Hf       5.44018671       0.72911900      -3.74927357      -0.18362487       0.91557333      -0.18395970 
Hf       5.49454925      -0.15014206      -8.92930476       0.17788047       0.71899029      -0.02064332 
Hf       0.27556236       5.96903459      -3.64801244      -0.54260349       0.32591068      -0.88323813 
Hf       0.28143704       5.01287173      -8.95710716      -0.36326387       0.54475779       0.52585629 
Hf       5.31932462       5.91301667      -3.70272227       1.09560908      -0.36514302      -0.26724017 
Hf       5.45722669       4.98688181      -8.93213530      -0.96564049       0.30232867      -0.88463662 
Hf       2.33216281       1.22099458      -1.08962040       1.16511941      -0.16722135      -0.72243158 
Hf       2.33988560       0.34208878      -6.36834911      -0.10091077       0.21234700       0.04867451 
Hf       7.51458147       1.29596214      -1.10066208       0.17910015      -0.26686423       0.04192396 
Hf       7.63625640       0.39101182      -6.37122533      -1.17938086      -0.37135447       0.61367854 
Hf       2.39656123       6.36205352      -1.03886183       0.62745051       0.51699356      -0.10611729 
Hf       2.37893119       5.52641210      -6.35569685       0.03158006       0.03333526      -0.02440552 
Hf       7.54879193       6.33379474      -1.12565053      -0.20214013      -0.07552144       0.94460220 
Hf       7.59451744       5.57335794      -6.40213779      -0.87294981      -0.96559843       1.02447243 
Hf       4.86348980       3.48372835      -1.49719053       0.77252495      -0.19168108      -0.09632622 
Hf       4.92453289       2.57083393      -6.79851282       0.86720066      -0.35061808       0.11052034 
Hf      10.21645123       3.48642377      -1.51099911      -0.43400356      -0.21720220      -0.58621387 
Hf      10.17811053       2.64209598      -6.71619559       0.44928930      -0.67946434      -0.37147501 
Hf       4.95481333       8.58149986      -1.53489550       0.30655215      -0.08320115      -0.02099954 
Hf       4.94460767       7.68001834      -6.81143684       0.59807569       1.16284286      -0.06991163 
Hf      10.15730448       8.61518389      -1.52816347       0.36279364      -0.47886351      -0.26779588 
Hf      10.14692011       7.73931668      -6.72315369       0.87007354      -0.98129424      -0.99868040 
O       1.30309178       2.38085433      -2.75180021      -0.17811623      -0.02381947       0.16722261 
O       1.29467689       1.47590348      -7.91873151      -0.07042456      -0.11342718      -0.75450744 
O       6.51562734       2.42683688      -2.83669387      -0.03441420      -1.04023606       0.68420605 
O       6.58275166       1.50724376      -7.93795776       0.06981454       0.03553581      -0.83444795 
O       1.28915362       7.53401358      -2.78761676       0.57663154       0.86380783       0.16174244 
O       1.31291778       6.55305042      -7.95519657       0.81529655       0.93366513      -1.10899930 
O       6.51698815       7.42840953      -2.69623784       0.27127023       0.43732946      -0.68922426 
O       6.47907844       6.62498701      -8.10667161       0.86220942       0.40859803       1.07986000 
O       3.96040433       1.45974441      -5.18170667      -0.24252294       0.08824688       0.55439810 
O       4.04185842       0.54082641     -10.33673020      -0.94777641       0.34571857      -0.67920789 
O       9.18391743       1.36667447      -5.12157507      -0.73373867       0.96787613      -0.23047347 
O       9.17787444       0.51174606     -10.39535990      -0.35404338       0.47455537       0.05910387 
O       3.91602904       6.59919693      -5.14586964       0.14401595      -0.15510975      -0.60206791 
O       3.97605730       5.73030002     -10.44483529      -0.09838508      -0.57035359       0.80011300 
O       9.15933400       6.60251102      -4.99843523      -0.55089767      -0.10638481      -0.96466467 
O       9.18507585       5.66098942     -10.27919676      -0.41006957      -0.29438308      -1.08686271 
O       3.78470890       1.96067939      -2.52031009       0.03445390      -0.57107487       0.28073021 
O       3.78927295       0.94332279      -7.76418694       0.57447114       0.36891791      -0.26388571 
O       9.02399594       1.93578279      -2.43624671       0.32429522       0.06248382      -0.53127916 
O       9.07773361       0.95093863      -7.76427704       0.13382356       0.26313942       0.01531401 
O       3.80769660       6.99797829      -2.50449159       0.01348963      -0.08474515      -0.21482429 
O       3.85523095       6.16177487      -7.83760672      -0.45787977      -0.14085765       0.81445338 
O       9.07381615       7.00043930      -2.41510021      -0.42956776       0.43863691      -0.05927828 
O       9.08469012       6.13532075      -7.69822888      -0.46972730       0.10598351      -0.22870048 
O       1.27619640       2.75770341      -0.06638239       0.00434821       0.68929993      -0.47083740 
O       1.24888572       1.94527345      -5.37835700       0.40488801       0.31490374       0.58132795 
O       6.50839663       2.88294559      -0.08262133      -0.04288783      -0.50166665      -0.56408334 
O       6.48401071       1.95206557      -5.45215249       0.34858162      -0.29103012       0.75725308 
O       1.22405156       7.93610486      -0.15055214       0.73423776       0.08415298       0.45851200 
O       1.29839672       7.07236395      -5.41411181      -0.25545165       0.37680475       0.41310912 
O       6.52114458       8.05142382      -0.13193586      -0.21486117      -1.30308523      -0.79107931 
O       6.39972900       7.00649656      -5.40147257       0.49492444       0.73647533       0.00058116 
O       3.44735701       3.79451350      -6.12159660      -0.20563882      -0.07386977       0.75453146 
O       8.75795659       4.68610240      -0.70690673      -0.00512616       0.25979367      -0.49010897 
O       8.61821294       3.78599271      -6.07343997       0.28890442      -0.02031976       0.20053894 
O       3.51090073       9.77944273      -0.81334434      -1.15271926       0.97275048       0.25879404 
O       3.47862900       8.95488345      -6.11745160       0.24859116      -1.12672869       0.32519117 
O       8.73769520       9.80309338      -0.80233972      -0.68629296       0.59788038      -0.20441459 
O       8.72927210       8.87015183      -6.03282487      -1.56600755       0.93089780       0.44667673 
O       0.92557517       0.01801664      -1.88123483      -0.09732502      -0.16064294       0.45726077 
O       0.89057369      -0.93008984      -7.05596701       0.25969050       0.78340544      -0.52229384 
O       5.94707362       0.06171775      -1.77570101       1.33350132       1.01878000      -0.23892969 
O       5.97221335      -0.69584392      -6.98398949       0.40419550      -1.41471316      -0.34680452 
O       1.03602639       5.20322655      -1.87732157      -0.87753681      -1.25694625       1.38297465 
O       0.86467692       4.39854075      -6.99998272      -0.64725582      -1.45947674       0.41881688 
O       5.98866275       5.17150465      -1.84312379       0.46331915      -0.00645419       1.06868593 
O       6.03434087       4.40171986      -7.04370663      -0.06479588      -0.69795586       0.10276227 
O       1.72821704      -0.38506435      -4.48617921      -0.12480568      -0.29093980       0.39882175 
O       1.71765105      -1.28287546      -9.71895463       0.31079787      -0.68050038       0.18959693 
O       6.84983034      -0.46913479      -4.50040540       0.55991344       0.05540928       0.21972275 
O       7.01371896      -1.29803425      -9.67213715      -0.65212431       0.59058411      -0.25102210 
O       1.78214600       4.88734379      -4.30220634       1.00614984      -1.53595722      -1.57516525 
O       1.81777910       3.89362545      -9.60179079       0.31872974      -0.98380456      -0.65399073 
O       6.84588744       4.73820687      -4.41977204       0.62989823       0.01129049      -0.23045011 
O       6.92506948       3.83958362      -9.64444080       0.62321653       0.00853900      -0.66718642 
O       4.25680037       4.21355507      -3.40170210      -0.11947607       0.15894716       0.08958116 
O       4.34220392       3.24822476      -8.68784066      -0.20237239       0.08602390      -0.30368919 
O       9.54429141       4.26472529      -3.38090590      -0.46089831      -0.61688634       0.03504402 
O       9.56517705       3.28834025      -8.56726423      -0.01380706       0.49226878      -0.85275380 
O       4.38508426       9.27308380      -3.47025622      -0.61867564      -0.03460461      -0.18109275 
O       4.37814167       8.44611716      -8.70916483      -0.43535533      -0.05520064      -0.07259260 
O       9.40382595       9.42434736      -3.42125283       0.06556743      -0.83335792       0.33275204 
O       9.49758122       8.45507479      -8.68905043       0.10435889      -0.38650038       0.18632186 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0044081094483038406 -0.0014620208219181126 -0.0002643358506807641 -0.0014620208219181126 0.002277097657422015 0.00020877514105341265 -0.0002643358506807641 0.00020877514105341265 -0.0017458798634842746" pbc="T T T" energy=-961.60755562 free_energy=-961.60755562 config_type=crystal 
Hf       2.84316333       3.02742941      -4.12521005      -0.50542481      -0.44650899      -0.13905402 
Hf       2.79582286       2.13558534      -9.42940121       0.60596287      -0.26540145       0.51942103 
Hf       8.00868364       3.03176266      -4.13216406      -0.03266396      -0.73076131      -0.70089133 
Hf       8.07057706       2.10827018      -9.41275999      -1.17037235      -0.53331132      -0.51530879 
Hf       2.89356021       8.19116764      -4.13413975      -1.15713386      -0.71579102      -0.21800914 
Hf       2.85707802       7.19398398      -9.43352280      -0.38737674       0.85804160      -0.11832706 
Hf       7.98104909       8.17322459      -4.18166676      -0.55947021      -0.34530606      -0.20064340 
Hf       8.06940057       7.23904405      -9.41543260      -0.16835820       0.30933274       0.57789203 
Hf       0.24329125       0.73269700      -3.64530864      -0.44698278       0.79563517      -1.61315755 
Hf       0.24138629      -0.13856853      -8.93843240      -0.32902061      -0.32275826      -0.13076003 
Hf       5.46300224       0.76320690      -3.74432611      -0.08409567       0.81284021       1.01081909 
Hf       5.40435619      -0.14233726      -8.96414602       0.31929088       0.47539257      -0.12169932 
Hf       0.18873181       5.90775243      -3.77867804       1.10651188      -0.32821008       1.19477477 
Hf       0.28663478       4.96435798      -9.01941070      -0.89335818       0.84961128       1.14499844 
Hf       5.42765955       5.92639930      -3.69603686      -0.71423855      -0.21965000      -0.67611907 
Hf       5.44310399       5.01529363      -8.95429416       0.04169718       0.20496602       0.51901526 
Hf       2.32898161       1.26978220      -1.04329024       1.48001665      -0.93045110      -0.81260702 
Hf       2.32011962       0.37988152      -6.34871207       0.31730589      -0.35531428       0.38320396 
Hf       7.59855126       1.26363250      -1.08918735      -0.83604900      -0.36860650       0.32498727 
Hf       7.53403106       0.44006238      -6.40493641       0.30876647      -1.01167395       0.94649285 
Hf       2.39981308       6.35540656      -1.11270100      -0.37868419       0.40178229      -1.28476496 
Hf       2.36931653       5.56102775      -6.32278119      -0.17863912      -1.73749614      -0.45504766 
Hf       7.53863033       6.42191599      -1.06996981       0.69900654      -0.89668421       0.35090721 
Hf       7.58101099       5.47098040      -6.38835283      -0.10622699      -0.17266776       0.70928560 
Hf       4.94212698       3.57324567      -1.50562008      -0.71793563      -1.35400675       0.26473191 
Hf       4.94128444       2.56553084      -6.80622781       0.23854424       0.15270419       1.20508727 
Hf      10.13837835       3.42473123      -1.56199972       0.15156959      -0.15522176       0.03826145 
Hf      10.09900661       2.53232846      -6.76752833       0.92904140       0.57405807       0.14849161 
Hf       5.08018148       8.60659212      -1.49936289      -1.42844903       0.69053213      -0.37178590 
Hf       4.93898153       7.75792498      -6.76185119       0.90639430      -0.57377741      -0.18712833 
Hf      10.11723223       8.60562782      -1.59640950       0.55237672      -1.31452414       0.91546234 
Hf      10.11361796       7.67536166      -6.74446190       0.54657020       0.48927002      -0.71388715 
O       1.33876302       2.26555392      -2.69763410      -0.14280398       0.45224704      -0.29251796 
O       1.32471648       1.52513733      -7.99602001      -0.26238016      -0.66884117       0.10240391 
O       6.63375200       2.37889549      -2.75517762      -0.92048218      -0.43780162       0.46797157 
O       6.57601168       1.56486542      -7.95071062      -0.27665619      -0.70961524      -0.61969763 
O       1.35991703       7.55607474      -2.77990377      -0.54631679      -0.77493187       0.24686352 
O       1.34742530       6.56095960      -8.01334304       0.35828898      -0.00489505       0.16925606 
O       6.48211406       7.56412260      -2.69782710       0.56498673      -0.00123061      -0.03233272 
O       6.61818921       6.54326442      -7.97617212      -0.40038193       0.57287218       0.20235350 
O       3.99958145       1.45486534      -4.96975457      -0.92046651      -0.12922740      -1.96731278 
O       3.86861210       0.62347137     -10.35767414       0.44125817      -0.15519147      -0.40810024 
O       9.09180124       1.38587003      -5.20849293       0.38242000      -0.02562003       0.63726865 
O       9.08860175       0.46239198     -10.39231000       0.52958955       0.29702796       0.06041898 
O       3.93508089       6.41025535      -5.14214151      -0.27824776       1.78138499      -0.20047012 
O       4.05673130       5.74286128     -10.49313589      -0.52927986      -1.26047975       1.10876504 
O       9.13049719       6.61393709      -5.08471161      -0.46372371      -0.68250342      -0.58692976 
O       9.07556297       5.60465960     -10.43732307       1.02602706       0.09917257       0.63381278 
O       3.84440853       1.99503274      -2.52365001       0.06487821      -0.73301354       1.61255256 
O       3.87794570       0.94648846      -7.75717035      -0.44052361       0.17063453       0.48171808 
O       9.05180400       1.78604604      -2.52009168       0.44106236       0.24402970      -0.06703503 
O       9.04151221       0.91629251      -7.81530673       0.29801356       0.32943953       0.21198162 
O       3.85524373       6.97820174      -2.56958555      -0.05150765       0.45073472       0.53257905 
O       3.91278176       6.14319785      -7.75866720      -0.31740952      -0.05699406      -0.32175561 
O       8.98644448       6.94001740      -2.48528381       0.29532237       0.39706113      -0.56325017 
O       9.13338798       6.10943968      -7.78608728      -0.50768749      -0.28668087       0.37981858 
O       1.21652868       2.82091652      -0.20066996       0.16481367      -0.00230195       1.44094327 
O       1.24752687       1.94310222      -5.30142919      -0.22994346      -0.61668983      -0.62361391 
O       6.40843201       2.77887858      -0.11839798       0.06557614       0.26417992       0.01256605 
O       6.48248832       1.93101002      -5.36746443      -0.30738340      -0.04951399       0.03734134 
O       1.27519259       7.96569927      -0.07538118      -0.21704472      -0.36306411      -0.69632395 
O       1.18874025       7.03985716      -5.35543958       0.65764473       0.06028669      -0.24588491 
O       6.55294543       6.24579138     -10.49353774      -1.07833057      -0.99261046      -1.45545888 
O       6.44568662       6.92586812      -5.30230820      -0.21529075       1.20532153      -0.78145640 
O       3.43294921       3.71524724      -6.02376507       0.56060075       0.07957082      -0.63259622 
O       8.67953656       4.60101766      -0.84257314      -1.18420253       0.75636922       0.46973523 
O       8.58409506       3.71096710      -6.09103675       0.46620777       0.18928945       0.00588766 
O       3.45562779       9.76552031      -0.77817914      -0.11190353       0.69359776      -0.53806104 
O       3.48269742       8.91878671      -6.07596463      -0.28365433      -0.41552942       0.45822865 
O       8.65910935       9.74606087      -0.79004637       0.12651362       0.49125961      -0.34844954 
O       8.60773921       8.84334471      -6.05487882       0.05263944       0.56684634      -0.25534502 
O       0.85529521      -0.02316584      -1.86758606       0.61529111       0.18418467       1.07680454 
O       0.96667938      -0.93556603      -7.11701058      -0.31600958       0.66911224       0.40536441 
O       6.01947672       0.07654757      -1.75164543       0.52174977       0.23764270      -0.44059337 
O       5.95581061      -0.74174426      -6.92690369       0.00345928      -0.59847714      -1.65521795 
O       0.82011118       5.13737142      -1.84587516       1.43557743       1.14822623       0.23548464 
O       0.81001098       4.25824548      -7.04939858       0.39147285       0.28015165      -0.48982518 
O       5.92286932       5.30645384      -1.79883600       0.95658762      -0.24157972       1.22780858 
O       6.11678942       4.27343117      -7.05251809      -0.81731665      -0.28344074      -0.16702506 
O       1.67618286      -0.45415999      -4.47577271       0.19133794       0.07336995      -0.14471962 
O       1.78829456      -1.27508376      -9.60555010      -0.25303342      -0.00882971      -0.77930727 
O       6.77691188      -0.50344442      -4.55972867       0.65989507       0.19654603       0.67317085 
O       6.93332956      -1.31719307      -9.69093078      -0.13630420       0.16228516       0.55038497 
O       1.74585550       4.71061426      -4.53469506      -1.28895527       0.76918282       1.18276577 
O       1.82304822       3.88651992      -9.75873978      -0.09060341      -0.50425338       0.24265171 
O       6.91997128       4.70651527      -4.34188962       0.26074899       0.08605117      -0.41204220 
O       6.87631344       3.79061671      -9.61711776       0.41680812       0.18586737      -1.13059061 
O       4.27689853       4.21412588      -3.35762863       0.58272820       1.03138650      -0.13079655 
O       4.27047296       3.29742552      -8.61332830      -0.04163979       0.52090688      -0.84584985 
O       9.53821777       4.13321292      -3.40358076       0.06358593       0.51081311      -1.05620265 
O       9.50936818       3.26060148      -8.71311924       0.65442325       0.45680114       0.10574025 
O       4.28813927       9.38591760      -3.44445166       0.46964669      -0.17557147       0.65336834 
O       4.36930836       8.42763089      -8.74436594       0.17382485      -0.09254058       0.72575159 
O       9.44380417       9.30775614      -3.40802293       0.11639342       0.39438045      -0.19853371 
O       9.48213438       8.45926920      -8.61290534       0.52881301       0.49049420      -0.33622871 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0022487406027688808 -0.0005407087013711592 -0.00020954877610956588 -0.0005407087013711592 -0.0026297685069803264 0.0007977946085380801 -0.00020954877610956588 0.0007977946085380801 0.0027602184506922995" pbc="T T T" energy=-961.7832562 free_energy=-961.7832562 config_type=crystal 
Hf       2.83149472       3.00341940      -4.11084998      -0.35606504       0.27554560      -0.85348290 
Hf       2.86020685       2.20065877      -9.40722755      -1.09634371       0.41928140       0.49151087 
Hf       8.02774131       2.95386857      -4.21779749      -0.11701662       0.16492709       1.04900910 
Hf       7.94435929       2.13435746      -9.46244708       0.52795134      -0.21664559       1.17741418 
Hf       2.79387728       8.10179202      -4.19089352       1.79014055       0.32868591       0.50415356 
Hf       2.74360259       7.24017843      -9.40858895       1.42954856       0.28343346      -0.49234286 
Hf       8.03482447       8.15743666      -4.17329118      -0.74649972      -0.43123334      -0.10635148 
Hf       8.03548592       7.24045274      -9.39299800      -1.49955730       1.11914516       0.11438620 
Hf       0.25717549       0.76038111      -3.66494200      -0.84560775       0.37607917      -0.61363279 
Hf       0.19918050      -0.09570378      -8.98715522       0.51419830       0.04158580      -0.02775919 
Hf       5.38954950       0.78733116      -3.65217224       0.53722527      -0.79367360      -0.75303237 
Hf       5.35028925      -0.13926367      -8.95772323       1.08065253       0.40609163      -0.13558590 
Hf       0.19254370       5.86194452      -3.76142831       0.37683735      -0.48246889       0.14926645 
Hf       0.09969083       5.05144880      -8.94429624       1.97002842      -1.14238717       0.12039160 
Hf       5.45473094       5.89319306      -3.71819225      -0.41602299       1.48433009      -0.28973850 
Hf       5.49280161       5.12543410      -8.92477082      -1.70328890      -0.69647370      -0.04507191 
Hf       2.42104243       1.26562011      -1.13498198      -0.67555736       0.10307633       1.30763429 
Hf       2.32633105       0.31566308      -6.27826900       0.66615091       0.67247157      -0.11124329 
Hf       7.57160102       1.26384662      -1.05520284      -0.13036182      -0.75270080      -0.48461253 
Hf       7.62876998       0.35081132      -6.37582731      -0.80960474      -0.41784348       0.41758688 
Hf       2.36380988       6.42583730      -1.16871291       0.32889196      -0.99515387       0.74784108 
Hf       2.37923407       5.49868356      -6.37188088       0.96948603      -1.29091853      -0.07720213 
Hf       7.62213172       6.39888817      -1.04627377      -0.87876114      -0.10014495      -1.03617866 
Hf       7.52099685       5.43304615      -6.33562509       0.63833642       0.21380359       0.35420061 
Hf       4.94030515       3.54414011      -1.52492499       0.59464550      -0.18217882       0.49687824 
Hf       4.95359382       2.51018887      -6.82452277       0.10877515       1.06186157       0.85160061 
Hf      10.19720238       3.46078592      -1.49616052      -0.56779466      -0.37199034      -0.81046760 
Hf      10.20995948       2.55276607      -6.83332636       0.37083410       0.13379844       1.10041179 
Hf       4.95769289       8.64830943      -1.46560792       0.46067880      -0.10374259      -0.68922518 
Hf       4.98033605       7.74888197      -6.76957174      -0.21718334      -0.62046805      -0.40277643 
Hf      10.18924923       8.57378997      -1.55141912       0.07802751       0.55596685      -0.49367542 
Hf      10.18135323       7.71115417      -6.80440659      -0.41200191      -0.32688263       0.37058194 
O       1.33343113       2.34787848      -2.73732914       0.45517071       0.12239118       0.48591331 
O       1.29033385       1.46527641      -7.97542070       0.65972305      -0.29068312      -0.19175226 
O       6.54061454       2.26749836      -2.74082773       0.32799741       1.20045226      -0.25614441 
O       6.57574808       1.50259458      -7.99743203      -0.54514369      -0.51144836       0.11483907 
O       1.33631350       7.55004378      -2.82704215      -0.47460813      -0.72631975       0.72507017 
O       1.31633452       6.60663973      -8.08008696      -0.61321259      -0.17266392       0.99196567 
O       6.58836927       7.51997095      -2.71065188       0.13722684      -0.07486389       0.26526083 
O       6.55189290       6.61654558      -7.94960911       0.23803451       0.28984455      -0.07419046 
O       3.81889027       1.44845615      -5.03048669       1.61063797      -0.62963222      -0.23339438 
O       3.88900689       0.65581445     -10.33765005       0.44281268      -0.14312895      -0.70472324 
O       9.10294202       1.42707264      -5.11445935       0.67107915      -0.83969338      -0.49484714 
O       9.11796098       0.61061250     -10.37261763       0.12587050      -0.77018240      -0.03338070 
O       3.94065331       6.55367060      -5.21235137       0.02190861      -0.14692896       0.71547479 
O       4.01534291       5.71545395     -10.38198803      -0.96013932      -0.04578464      -0.40316445 
O       9.16664004       6.54484429      -5.12643873       0.19939884       0.12224784      -0.11409847 
O       9.08522439       5.71935350     -10.39154703       0.77985091      -0.63959698      -0.05607863 
O       3.96850252       1.89321003      -2.43335044      -1.20317763       0.22630261      -0.02971934 
O       3.83832522       0.99127426      -7.66659461      -0.04304605      -0.41666483      -0.47958315 
O       8.97002396       1.80453578      -2.52644117       1.18464456       0.52114946       0.19940616 
O       9.07556162       1.04227670      -7.75009253      -0.44364600      -0.99021062      -0.30124591 
O       3.85435474       7.02193415      -2.56934016      -0.29458643      -0.39850352       0.79829890 
O       3.86756112       6.13653895      -7.77108478      -0.26210496       0.38914319      -0.07101407 
O       9.12360873       6.90072114      -2.52211346      -0.33080033       0.56537485       0.79133687 
O       9.02824151       6.12465757      -7.67169957       0.49262158      -0.50073352      -1.22588781 
O       1.23069948       2.82845585      -0.08778237       0.25239094      -0.32265800      -0.23855623 
O       1.26943159       1.94375922      -5.27260572      -0.64511287      -0.75547288      -0.72999082 
O       6.46788684       2.75585312      -0.10415436      -0.65301945       0.92131073      -0.06875543 
O       6.50162091       1.93888344      -5.39773447      -0.82050166      -0.39598356      -0.07022038 
O       1.29710905       7.93558976      -0.13778196      -0.76216573       0.20134699      -0.45124744 
O       1.39266922       7.13640357      -5.45851795      -1.22349807      -0.54922711       0.04307160 
O       6.47537014       6.15575726     -10.49040626       0.28078942       0.39209466      -1.40787031 
O       6.40213664       7.00792464      -5.41427583       0.55451860       0.32469267       0.72404270 
O       3.40446172       3.67286396      -6.12502609       0.64531276       0.41218965       0.38103809 
O       8.60439073       4.62011739      -0.86549623       0.13350882       0.47598377       0.26883847 
O       8.73760377       3.74041859      -6.08119109      -0.64699820       0.51071409       0.27414729 
O       3.41528238       9.82623516      -0.82765317       0.14127339      -0.49400376      -0.11979157 
O       3.55745580       8.95998607      -5.98417744      -0.61649707       0.28562501      -0.47553152 
O       8.77593637       9.83289652      -0.86849414      -0.95453725      -0.16157139       0.81739913 
O       8.61294246       8.79064354      -6.12787102      -0.13600156       0.89219877       0.20620682 
O       0.86220133       0.10041772      -1.81241357      -0.03206091      -0.83058860       0.33007402 
O       0.81052748      -0.84047621      -7.08826733       0.50215624       0.07786209       0.59106866 
O       5.96657900       0.16090384      -1.70158420       0.24985897      -1.14167197       0.29630419 
O       6.06181925      -0.88468111      -7.13591573       0.62880016       0.99314223       0.92030313 
O       0.91970122       5.12316576      -1.90510623       0.58686739       0.80860004       0.82209334 
O       0.95768939       4.22969116      -7.10533782      -0.57651398       0.81875851      -0.30763005 
O       6.09475368       5.21211044      -1.85480842      -0.13878537      -0.41029097       0.99466595 
O       6.11056740       4.26638858      -7.09839462      -0.37241272      -0.34873596       0.47638264 
O       1.84825342      -0.37286268      -4.32023217      -0.78798060       0.05669471      -0.56645263 
O       1.75399422      -1.29702054      -9.66057054      -0.70905629       0.56197577      -0.20158917 
O       6.96471999      -0.41052582      -4.40963667      -0.20551130       0.30608994      -0.36546416 
O       6.89248354      -1.33633731      -9.57813591       0.73524542      -0.02828424      -1.13361675 
O       1.76482569       4.67139820      -4.45781902      -0.78222723       1.56519404      -0.30258609 
O       1.70820762       3.85249946      -9.71185267       0.06320431       0.34654505      -0.76929995 
O       6.93657518       4.75876408      -4.41768001       0.56531726      -0.81859565      -0.32038711 
O       6.92178168       3.87483699      -9.58412261       0.92054372      -0.40047233      -1.31305983 
O       4.34799069       4.21699748      -3.41517761      -0.20065492      -0.27342335       0.22414191 
O       4.36062321       3.32530357      -8.68076180      -0.13440393      -0.13040607      -0.38368668 
O       9.58087668       4.10124192      -3.42574907      -0.28930031       0.35847432      -0.39420930 
O       9.57549981       3.26794941      -8.69262200      -0.77574612       0.45344426      -0.77778066 
O       4.43369442       9.25419685      -3.37705649      -0.49364089       0.59139420      -0.35378077 
O       4.30686902       8.49250381      -8.77892126      -0.70787755      -1.11174413       0.72410120 
O       9.55121945       9.23601840      -3.48626142       0.80564895       0.79598067       0.35263559 
O       9.46350396       8.39267207      -8.68039596       1.33936401       1.15351465       0.00942410 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-3.7577817088566522e-06 0.0002160559987619562 0.00015154708716119098 0.0002160559987619562 -0.000741823082780063 0.0034951963455838245 0.00015154708716119098 0.0034951963455838245 -0.0023634612694006427" pbc="T T T" energy=-961.57864625 free_energy=-961.57864625 config_type=crystal 
Hf       2.78979545       2.98839775      -4.12166222       0.04863495       0.41891996      -0.76852171 
Hf       2.81615937       2.11395206      -9.40394212      -0.51374926       0.15092959      -0.08085799 
Hf       7.98072159       2.98216345      -4.13333446      -0.28085759       0.04609038      -0.50735013 
Hf       8.05782589       2.10916001      -9.43976445      -1.05156496       0.57624559       0.06754104 
Hf       2.74034347       8.16773271      -4.10898948       0.55031933       0.05370891      -1.08886426 
Hf       2.82718046       7.29890038      -9.43399196      -0.01506622      -0.26498933       0.56044265 
Hf       8.03470769       8.21207124      -4.14992990      -0.22876641      -0.89981568      -1.01483070 
Hf       7.99824939       7.25576714      -9.47765319      -0.02819758      -0.38094598       1.88863706 
Hf       0.18226157       0.76066194      -3.68938579       0.89026138       0.32217399      -0.40960620 
Hf       0.14408014      -0.11335654      -8.91454199       1.52699052       0.02041594       0.17142274 
Hf       5.37659229       0.78601824      -3.68793524       0.78028107      -0.11673596      -0.09532356 
Hf       5.39491879      -0.12493716      -9.06672875       0.35649884      -0.14931712       1.33394708 
Hf       0.14029808       5.81261534      -3.72702650       0.56796870       0.96870728      -0.86302530 
Hf       0.27844567       5.05421601      -8.95312103      -0.70302570      -0.65407420      -0.12547459 
Hf       5.42532152       5.92893240      -3.70692145       0.39089759       0.25245765      -0.58941112 
Hf       5.41597743       5.05162432      -8.96326754      -0.59534801       0.13683098       0.23868019 
Hf       2.35933145       1.18477541      -1.09625939      -1.08394521       0.88273487       0.15492275 
Hf       2.44470290       0.38748273      -6.35541743      -1.96199332       1.11107695       0.48299283 
Hf       7.64110087       1.27461887      -1.05554180      -0.81805334      -0.65624148      -0.38434576 
Hf       7.59956161       0.36555595      -6.36807830      -1.05737592      -0.64514003       0.74588238 
Hf       2.44568852       6.40806039      -1.14938238      -0.79713793      -1.77951095       0.75868573 
Hf       2.45487500       5.51221785      -6.26755253      -0.25194034      -0.67244933      -1.18982223 
Hf       7.48137471       6.38520117      -1.04100826       1.38068121       0.08877089      -0.94498945 
Hf       7.55245046       5.42762554      -6.38463216       0.36365963       0.87888068       0.24502260 
Hf       4.95629550       3.52269979      -1.52981847      -0.65204938      -0.52039893       0.20630193 
Hf       5.04414036       2.54406465      -6.81000981      -0.65495256       0.22285130       0.23030279 
Hf      10.20932702       3.48888103      -1.55695324       0.19432304      -0.49939689       1.35635838 
Hf      10.13062366       2.59844938      -6.82716451       1.54959975       0.45995400       0.93374226 
Hf       4.99198814       8.63549518      -1.52937818       0.34245337       0.08921833      -0.38626047 
Hf       4.95696235       7.78182415      -6.69526278       0.88995686      -0.91342148      -1.41537085 
Hf      10.13759274       8.48606569      -1.52741068      -0.59778007       0.70392041      -1.02614897 
Hf      10.21657883       7.69284924      -6.77671025      -0.60743664       0.22455702       0.25450711 
O       1.27276667       2.44728839      -2.70630832       0.65943090      -1.06330604       0.09043677 
O       1.28837736       1.61887921      -7.94903347       0.30294068      -0.87438226      -0.19265148 
O       6.52742302       2.39139930      -2.73063061       0.06165360      -0.21498139      -0.06420647 
O       6.51217475       1.52641792      -7.97195561       0.46843511      -0.91408999      -0.75432328 
O       1.33267503       7.39574219      -2.87085637      -0.30729751       0.55611234       1.02861912 
O       1.29407062       6.66691550      -7.98032395       1.00645469      -0.13787595      -1.10145364 
O       6.57838638       7.57014893      -2.76896447      -1.17428665      -0.48879382       0.92030525 
O       6.55854487       6.55643522      -8.03318442      -0.13604638       0.40328393       0.39785248 
O       3.91480704       1.45121243      -5.11239189       0.25173054      -0.05866958      -0.10412585 
O       3.87055529       0.51325173     -10.43457139       0.73068165       0.39004633       0.04938894 
O       9.15241790       1.48420221      -5.08485431      -0.39111822      -0.63200917      -0.24913252 
O       9.18045019       0.52025279     -10.38284467      -0.65849187       0.20770667       0.46327404 
O       3.90520058       6.59500288      -5.13041320       0.56451855       0.62781929       0.58876787 
O       3.85440004       5.65217139     -10.41270791       0.25295305       0.26702225       0.22871659 
O       9.22130878       6.54925122      -5.20466767      -0.43133078       0.45212956       0.37336764 
O       9.06440068       7.43334205      -0.00778293       0.61323976       0.05431905       1.21717690 
O       3.81246679       1.87110121      -2.53204418       0.22547611       0.25760809       0.19076181 
O       3.83087091       0.91343242      -7.77445809       0.74976597       0.45364660      -0.56561624 
O       9.12607040       1.80225930      -2.39137992      -0.33868498       0.29586058      -0.94230895 
O       9.01987504       1.05069537      -7.73853601       0.16394136      -0.42781569      -0.60429670 
O       3.89290170       6.96042325      -2.47310576       0.24226057       0.82974020      -0.36768400 
O       3.92115987       6.19383558      -7.77905976      -0.89064671      -0.32769115       0.41881476 
O       8.98200013       6.97815130      -2.56938069       0.68183898      -0.05462213       0.29940116 
O       9.01440268       6.08777282      -7.72918671       0.82726092       0.00156544      -0.91723183 
O       1.27416541       1.00680511     -10.48854072      -0.31494026      -0.24280728      -1.18987747 
O       1.26406490       1.97538133      -5.31915838      -0.04708201      -0.19553366      -0.05429050 
O       6.43697447       2.77043195      -0.12450544      -0.10956072       0.46263661       0.16864736 
O       6.44983318       1.88190872      -5.36386924       0.07296238       0.05115289       0.25920951 
O       1.23105961       7.82426492      -0.21455740       0.00868072       0.86684762       0.73938742 
O       1.40685280       7.12863677      -5.47907473      -0.53044890       0.22897992       0.67377766 
O       6.38288529       8.00916248      -0.07467460       0.04671180      -0.43098575      -0.54265120 
O       6.45371011       6.97029484      -5.31534856      -0.16967694       0.71089383      -0.68822156 
O       3.68367929       3.83054560      -5.96659390      -0.89388559       0.18547177       0.17572940 
O       8.64011205       4.60337154      -0.82534420      -0.30427609       0.43989615      -0.09552556 
O       8.64589123       3.71302621      -6.02940924      -0.06259346       0.36106535      -0.33330751 
O       3.51424953       9.83199229      -0.82364856      -0.47944151      -0.21077410       0.25766519 
O       3.50181089       9.04283673      -6.19163172       0.46827984      -1.82899112       1.05070270 
O       8.54183710       9.73211278      -0.81700295       1.43754571      -0.13759396      -0.85805177 
O       8.66635305       8.97859559      -6.04908796       0.64189451      -0.86502495      -0.02316646 
O       0.84232927      -0.06795470      -1.85994226       0.69118979       0.59919712       0.70713759 
O       0.84466552      -0.72782035      -7.01129353      -0.28627357      -0.66973232      -0.26799000 
O       6.12706927       0.07504352      -1.78929454      -0.80124143      -0.29411309      -0.12550022 
O       6.12432124      -0.91615063      -7.05911907      -0.03963851       0.93009124      -0.48958122 
O       0.89143796       5.16518676      -1.91173808       0.36912369      -0.01795139       0.82994284 
O       0.89512049       4.37615169      -7.06631586      -0.26040318      -0.73502731      -0.36942120 
O       6.08306273       5.18685058      -1.85371689      -0.21093180      -0.26235556       0.24133374 
O       6.12618453       4.26253707      -7.13542168      -0.37936299      -0.50671490      -0.08105027 
O       1.80098693      -0.37893883      -4.38258159      -0.47040368       0.35225825      -0.17954356 
O       1.62026437      -1.33643262      -9.72635345       0.63271520      -0.47570610       0.01500775 
O       6.88855518      -0.43283063      -4.41940820      -0.19913273       0.59182132      -0.05912438 
O       7.01843387      -1.26287272      -9.62337862      -0.40800986       0.48893427      -0.17956761 
O       1.65409610       4.69874109      -4.51684648       0.29591152      -0.00647404       0.27943729 
O       1.60802356       3.71129695      -9.73778439       0.81660659       0.88480341      -0.32220468 
O       6.86377163       4.67115909      -4.51332837      -0.20070311      -0.16347613       0.77552245 
O       6.86628514       3.86855496      -9.73748439       0.54605314      -0.79737486       0.06979548 
O       4.23194585       4.30529052      -3.29018337      -0.44317913      -0.59887293      -0.28274824 
O       4.41266612       3.22316243      -8.71691562      -0.74784541       0.35846972      -0.09442446 
O       9.48275603       4.13459349      -3.42320300      -0.20685542       0.03129136       0.11459232 
O       9.47420628       3.33400858      -8.76343679       0.28413275       0.34462216       0.85193648 
O       4.29832914       9.34779430      -3.39020732       0.06812934      -0.18758652      -0.21114771 
O       4.42189634       8.36449891      -8.82986811      -0.14170714       0.75017084       0.49310558 
O       9.56229270       9.30280037      -3.47508660      -0.07103001      -0.03404441       0.39350068 
O       9.54698250       8.35933578      -8.63365103      -0.06405627       0.88787260      -0.71955234 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002801033975741809 -0.002807234322115007 -0.0001961146579726699 -0.002807234322115007 0.0014366880405798517 0.00032553847261831173 -0.0001961146579726699 0.00032553847261831173 0.0007691946343497662" pbc="T T T" energy=-961.18946658 free_energy=-961.18946658 config_type=crystal 
Hf       2.80954346       2.95243085      -4.14748232      -0.35548795       0.65020182      -0.22609151 
Hf       2.79102037       2.08830140      -9.47090226       0.04704549       0.47795604       1.00220195 
Hf       8.00149314       3.06095462      -4.16269693       0.58002005      -0.06838490      -0.15892862 
Hf       8.04082581       2.14105837      -9.31017915      -0.45359504      -0.08541937      -1.42824197 
Hf       2.94962552       8.20795697      -4.13418826      -1.52475815      -0.63561395       0.25383562 
Hf       2.84224047       7.25991668      -9.37400002      -0.66759498       0.59167826      -0.92975710 
Hf       8.01128672       8.09697143      -4.29844261      -0.36717320      -0.03404891       2.31663415 
Hf       7.95386080       7.37223241      -9.42994934       1.46527890      -1.16658794       0.77359356 
Hf       0.24989937       0.75568483      -3.71420613      -1.58075716       0.26499176      -0.33490599 
Hf       0.26310804      -0.09356795      -8.99740200       0.04207919      -0.90350323       1.48889970 
Hf       5.43574081       0.85101505      -3.71872925       0.68505918      -0.88525178       0.51393306 
Hf       5.37834762      -0.08717224      -8.95203212       0.80069028       0.25380554      -0.62213905 
Hf       0.25592907       5.93467402      -3.70073346      -0.21837985      -0.38734357      -0.65946083 
Hf       0.27486414       5.06187531      -8.93120274      -1.49913882       0.50398678      -0.77178844 
Hf       5.33938558       5.79188567      -3.70015025       1.69702287       2.80236260       0.02940239 
Hf       5.38486701       5.00816320      -8.98646459       0.50475291      -0.27420469      -0.18220797 
Hf       2.31522444       1.22587151      -1.18804448       1.54964289      -0.35233581       2.03071977 
Hf       2.38521960       0.33427847      -6.28109429      -1.40623399      -0.04475660      -1.57572869 
Hf       7.59072695       1.28811484      -1.12746881      -0.67109975       0.01358208       0.96991313 
Hf       7.63510214       0.31733371      -6.32064905       0.14721581       0.33041530      -0.44079454 
Hf       2.33225445       6.35807085      -1.07230735      -0.04631415       0.39730510      -0.39603387 
Hf       2.46797820       5.47210460      -6.29727832      -1.54291086      -0.37271867       0.19992204 
Hf       7.55914815       6.42835263      -1.09627693      -0.01299994      -0.67702381       0.30591267 
Hf       7.48852895       5.44337981      -6.44072818       0.60193158       0.65057783       0.82216333 
Hf       4.95057003       3.48470156      -1.49429425       0.23175966      -0.27036263       0.26461505 
Hf       5.00090956       2.52034843      -6.82726784      -0.21972896      -0.29853174       0.04984126 
Hf      10.10413505       3.46322874      -1.46184650       0.43672965       1.06873011      -0.77006302 
Hf      10.13070803       2.61726066      -6.79379974       0.64159419      -0.83789883       0.12445180 
Hf       4.99341265       8.58710530      -1.45249804      -0.33382614       0.68856724      -1.78208667 
Hf       4.97004155       7.72258373      -6.78401393       0.66853330       0.16829404      -0.16078259 
Hf      10.19184660       8.58474958      -1.55439761      -1.48767866      -0.20828219       0.54889688 
Hf      10.16461384       7.67917262      -6.78342432       1.36870922      -0.16895727      -0.49128223 
O       1.34438375       2.34892062      -2.66063340      -0.31122066       0.36150530      -0.69376621 
O       1.25017141       1.44195956      -7.98542219       0.90753560       1.00465999       0.24404707 
O       6.49735548       2.46361799      -2.74021229       0.15949348      -0.56487169      -0.52539683 
O       6.59412487       1.47497612      -7.98506391      -0.76849916      -0.09341549       0.13796727 
O       1.31151748       7.50876132      -2.76367868       0.47069080       0.29048834       0.24968958 
O       1.37776091       6.59891070      -8.00892292       0.28605647      -0.03167853       0.49871482 
O       6.40892535       7.51932386      -2.82090498       0.76091351      -0.22315502       0.49343916 
O       6.41767917       6.68438270      -7.98667796       0.51464346      -0.84496555      -0.49059789 
O       3.89460602       1.38050978      -5.16460111       1.18191801       0.01775337       0.56865263 
O       3.98351754       2.24011971      -0.03284993      -0.19941914       1.23390171       1.20411981 
O       9.10748944       1.42788008      -5.11410884       0.37072130       0.34909321      -0.00871296 
O       9.18615758       0.67848364     -10.30407453       0.03387375      -1.05426192      -0.82219713 
O       3.91212395       6.49131194      -5.08620154       0.25896514       0.95182799      -0.35158221 
O       3.86600527       5.67810897     -10.38201712       0.43155010       0.03440093       0.26837103 
O       9.23231460       6.47973607      -5.13744082      -0.99398191       0.81596473       0.02391872 
O       9.07026278       5.76324431     -10.38619835       0.39908117      -0.44115993      -0.04443291 
O       3.87474912       1.91638494      -2.55215154      -0.15225582      -0.26138185      -0.52132105 
O       3.76978917       0.89798411      -7.77040434       1.10067048       0.74088216      -0.58411938 
O       9.05092467       1.90089560      -2.51506032      -0.08159544       0.15405336       0.39310815 
O       9.12389821       0.93670801      -7.73474278      -0.80516776       0.57324045       0.25244720 
O       3.85156141       7.03842782      -2.50878675      -0.60597766       0.06351351       0.51607595 
O       3.90030613       6.06743909      -7.69172041       0.00680432       0.48502487      -0.60440100 
O       8.91934624       7.05594628      -2.46793296       1.10985610       0.14047442      -1.06553002 
O       9.00013421       6.15099321      -7.72711862      -0.07371284      -0.28435517      -0.24018976 
O       1.34194941       1.09185340     -10.48353163      -1.16591016      -1.11529196      -2.14236491 
O       1.24477012       1.88240950      -5.33795054      -0.00188352       0.60272419       0.03282847 
O       6.53153955       2.91109540      -0.09832055      -0.71521095      -0.62115626      -0.18358557 
O       6.53836224       1.89481245      -5.47059194      -1.28916393       0.23627809       1.08886351 
O       1.24402077       7.95882399      -0.10873954       0.24912004       0.04772847      -0.19589484 
O       1.30005397       7.05108071      -5.37248361       0.37592220      -0.23748943       0.07748908 
O       6.38824564       7.96467678      -0.11160694       0.47572197      -0.30776314       0.57368653 
O       6.48058181       7.04264761      -5.40510535      -0.19657052       0.07489530      -0.29079698 
O       3.61772377       3.72388462      -5.94665108      -0.62512118       0.58463164      -0.40198748 
O       8.65726476       4.68608523      -0.86250566      -0.51918538       0.05505567       0.40743334 
O       8.62622656       3.80298900      -6.03938059       0.48966837      -0.58332262      -0.42385893 
O       3.51617589       9.86055528      -0.86803159      -0.47091110      -0.59911599       0.41402894 
O       3.35553767       8.81753372      -6.13197842       1.04151182      -0.19924998       0.85708359 
O       8.60070789       9.85452695      -0.75570358       0.91877047      -0.02139131      -0.79529787 
O       8.66769911       8.81252139      -6.15727024      -0.62375069       0.54226987       0.86188677 
O       0.82590169       0.03753553      -1.85688491       0.33509814      -0.00822470       0.67555575 
O       0.88686093      -0.81646126      -7.07331229      -0.28707420      -0.78656815       0.28381740 
O       6.08142761       0.12590916      -1.70777377      -0.38702079      -0.13127563      -0.93541264 
O       6.11551183      -0.80275175      -7.09278899      -0.99425914      -0.88947705       0.62975335 
O       0.72105676       5.25555633      -1.72405913       1.16806076      -0.08857523      -0.20845691 
O       0.89848756       4.24785708      -7.10955506       0.72835849       0.50748939       0.46145534 
O       6.00427728       5.17963373      -1.78610677       0.27762308       0.37521003       0.19590920 
O       6.05285898       4.22354904      -7.11671604       0.07807131       0.38653526      -0.44860880 
O       1.75869936      -0.36377184      -4.38812265       0.80836667      -0.91685861       0.17200569 
O       1.71296170      -1.36788583      -9.73845128      -0.08179952       0.62858062      -0.41955302 
O       7.04614032      -0.37444801      -4.37747936      -0.74916673       0.19750327      -0.39717220 
O       6.91131481      -1.26220558      -9.61674499      -0.40694176       1.07647304      -0.49167768 
O       1.65652120       4.64002641      -4.49046334       0.25829054       0.18697318       0.35429636 
O       1.68339196       3.88710426      -9.71141721       1.26722904      -1.37649489      -0.09719816 
O       6.75262217       4.64339500      -4.55364683       0.44123964       0.07403639       0.20335061 
O       6.96330868       3.81805732      -9.65101511      -0.95765807       1.27090636      -0.08599891 
O       4.20630957       4.29932541      -3.37119097      -1.34421665      -2.14152152       0.89566430 
O       4.29376354       3.29475356      -8.72721397       0.02632164      -0.35995003       0.24526115 
O       9.50522546       4.25047261      -3.45167082      -0.43897847      -0.74658018       0.42967839 
O       9.49940149       3.36848419      -8.71618909       0.31944991      -0.13669298       0.87732819 
O       4.42034673       9.38723211      -3.38459476      -0.46538522       0.06696166      -0.88300465 
O       4.31462320       8.48712996      -8.68925729      -0.13593383      -0.64866206       0.32643126 
O       9.53075390       9.31721040      -3.39941455      -0.12710318      -0.01263050      -0.94017721 
O       9.59654441       8.38286053      -8.68906524      -0.41853262       0.46286717      -0.38022626 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0006430984865360981 -0.0019642287617632425 -0.0026940419638908264 -0.0019642287617632425 0.003221866174418715 0.0035127379946349553 -0.0026940419638908264 0.0035127379946349553 0.000976292132648251" pbc="T T T" energy=-961.815083 free_energy=-961.815083 config_type=crystal 
Hf       2.77405582       2.99750619      -4.21770519       0.75001046      -0.01855706      -0.07792547 
Hf       2.85714400       2.22789831      -9.36133548      -1.36696081      -1.94730717      -0.67913666 
Hf       8.05319992       3.05247720      -4.13896225      -1.46007472      -0.32781505      -0.40105691 
Hf       7.99296125       2.05570960      -9.46495493       0.36483692       0.47397001       0.78839336 
Hf       2.78856919       8.12330434      -4.14711543       0.49755464       1.21195534       0.06825109 
Hf       2.82368205       7.29122709      -9.46348338      -0.31296469      -0.53751538       0.97662388 
Hf       7.97205140       8.13943026      -4.11897060       0.36321908       0.22904731      -0.59126251 
Hf       7.99777029       7.27274881      -9.44609998      -0.01420674      -0.59076108       0.05735430 
Hf       0.19927526       0.82641740      -3.68395972       0.84510097      -0.69825684      -0.35787343 
Hf       0.23817403      -0.07111550      -8.98332933      -0.06831126      -0.03751560       0.19509518 
Hf       5.35034287       0.79998315      -3.73757812       0.46110325       0.32121677      -0.20180580 
Hf       5.44818319      -0.11416931      -8.97320162      -0.42516162      -0.33384766      -0.02823429 
Hf       0.25426787       5.94789922      -3.65835058      -0.39895120      -0.39361300      -0.83859998 
Hf       0.21281163       5.04616980      -8.91409309      -0.28428913      -0.38725325      -0.71309539 
Hf       5.36377721       5.90401076      -3.69695514       1.05212055      -0.77661126       0.71127844 
Hf       5.40354305       5.05482134      -8.94556492       0.55107534      -0.39771539       0.00164242 
Hf       2.32854241       1.20796139      -1.06882546       0.37801028       0.84515960      -0.28097487 
Hf       2.35745829       0.29760333      -6.36720150       1.21175684       0.21342996      -0.12061985 
Hf       7.55226634       1.24585735      -1.15300834      -0.81854611      -0.18193357       0.82246612 
Hf       7.64901214       0.36924328      -6.27974518      -0.67128408       0.18607548      -0.18785510 
Hf       2.40223381       6.34615617      -1.02031832      -0.39079338       0.22605079      -1.11721069 
Hf       2.45837746       5.53931381      -6.29291092      -0.73741177      -0.65781565      -0.47733198 
Hf       7.54753065       6.34103259      -1.09189262      -0.32228030      -0.18106042       0.73936909 
Hf       7.59460544       5.48665048      -6.35986065      -0.35028466      -1.04601789       0.19323394 
Hf       4.89073305       3.46411030      -1.53633681       0.38255809      -0.13526397       0.96778730 
Hf       5.05324111       2.49435807      -6.88274915      -0.56192467       0.26432619       2.20917885 
Hf      10.17297637       3.47604339      -1.49188500      -0.67260186      -1.25770890      -0.00923540 
Hf      10.21918606       2.59441404      -6.83410813      -0.67885930      -0.18564318       0.02397718 
Hf       4.98878180       8.58920967      -1.52950734      -0.12631776       0.47842831      -0.50980492 
Hf       5.06720349       7.73346826      -6.78655812      -0.81246897       0.50166527       0.02047642 
Hf      10.13754100       8.59396515      -1.51788151       0.15610133      -0.13645240       0.09927844 
Hf      10.12276132       7.73085043      -6.84948056       1.07063635      -0.24525836       0.57971533 
O       1.36377381       2.33325157      -2.75864638      -0.34423688       0.19607078       0.05030969 
O       1.32307273       1.44778754      -8.05831011       0.03638523       0.46687524       0.67580712 
O       6.49302834       2.38628884      -2.77387160       0.48021379      -0.01609756       0.41189059 
O       6.61238509       1.43102954      -7.94005368      -0.67498054       0.39264757      -0.77300822 
O       1.26990736       7.54363508      -2.69631407       0.45510166      -0.25134415       0.05782011 
O       1.29390084       6.57508204      -7.89320984       0.43475430       0.34571713      -0.79972218 
O       6.47516607       7.52277787      -2.67667493       0.86453424      -0.33852572      -0.92533420 
O       6.46889595       6.61009782      -8.00535682       0.53545517       0.27105250      -0.04499218 
O       3.96810894       1.45385226      -5.24459898       0.26399772       0.06698505       0.65125411 
O       3.92620664       0.60652284     -10.27783924      -0.30245434       0.08271347      -1.37184505 
O       9.13352326       1.41450560      -5.07455849       0.15743989       0.06993413       0.01473197 
O       9.14950893       0.44045217     -10.36670212      -0.95090235       0.60398524       0.10238337 
O       4.01263010       6.52894750      -5.03251257      -1.11703702       0.48323215      -1.36541103 
O       3.95275946       5.61541580     -10.39217633      -0.57763916       0.49942636      -0.00818841 
O       9.20376092       6.55811023      -5.11189342      -0.43653868       0.11200704      -0.36828134 
O       9.09961661       5.54208856     -10.33133647      -0.15205336       0.80416030      -0.99117734 
O       3.88699035       1.83442029      -2.54526672      -0.90313419       0.14477686       0.59611200 
O       3.79390068       0.93036926      -7.78233227       1.21125234       0.25340534      -0.03235783 
O       9.01907748       1.91477371      -2.36958994       0.74000019      -0.35584960      -1.88643062 
O       9.07957373       0.98949877      -7.75458006       0.00701258      -0.37068576       0.40215069 
O       3.82545330       7.00432778      -2.47439061      -0.18942542       0.24383979      -0.16921916 
O       3.88217476       6.13380743      -7.75380186      -0.25503088      -0.00323630       0.28132740 
O       9.07033925       6.95756920      -2.49862113      -0.71756681       0.36550815       0.20945431 
O       8.93609082       6.07673636      -7.86002305       1.05089637       0.72105715       0.78537412 
O       1.16811115       2.76141788      -0.09019929       0.99874636       0.07788298      -0.55319517 
O       1.26924093       1.85719947      -5.44508182      -0.52549581       0.92534308       0.51640198 
O       6.41153975       2.84502449      -0.11722790       0.40614306      -0.71907024       0.20045305 
O       6.52271705       1.97343422      -5.35732150      -0.38609064      -0.87539342      -0.29733118 
O       1.19454333       7.95761117      -0.06418504       0.43961670       0.24983019      -0.14922847 
O       1.31879027       7.09951925      -5.33569523      -0.27205288       0.07297011       0.20992807 
O       6.44123303       7.92318429      -0.09772548       0.04748568       0.11876066       0.08709398 
O       6.52194734       6.98068980      -5.40809991      -0.37732326       1.06648312       0.80532143 
O       3.42320602       3.72611717      -6.08141380       0.39258952       0.37694911       0.07388713 
O       8.50336506       4.50875059      -0.89286516       0.36756034       0.61134252      -0.12027268 
O       8.61319786       3.72719538      -6.10593414       0.96413930      -0.23899268       0.12276102 
O       3.45752953       9.79932043      -0.83685357      -0.05819667      -0.33345670       0.31507103 
O       3.47990326       8.84430077      -6.02576522       0.63524885      -0.44729747      -0.29512226 
O       8.53856395       9.68082835      -0.87333271       0.53081564       0.09599969      -0.00844433 
O       8.57733357       8.82778689      -6.11463923       0.26504130       0.22909165       0.70170703 
O       0.77900312       0.11368374      -1.74926914      -0.13341762      -0.75035314      -0.15081301 
O       1.02855806      -0.95752418      -7.12514497      -1.49252319      -0.30343669      -0.00241897 
O       6.03898263       0.07807019      -1.83506921      -0.13969851      -0.46556680       0.36562913 
O       6.10199052      -0.76772852      -7.07605778      -0.59377610      -1.15533333       0.13709870 
O       0.88845490       5.04220284      -1.79916950       1.25432192       2.25514114      -0.06458097 
O       0.92053910       4.27384017      -7.09436492       0.03248463      -0.02552199       0.33704077 
O       5.88670008       5.26059851      -1.74126297       0.58608078      -0.31435659       0.26123529 
O       6.10033379       4.26681259      -7.01900474      -0.58158573       0.09513840      -0.89469704 
O       1.88665179      -0.26162524      -4.43867425      -1.30979934      -0.96207780       1.31554034 
O       1.70409815      -1.34311833      -9.69918833       0.17253976       0.06163979      -0.19565080 
O       6.83557278      -0.45580135      -4.39149323       1.04188555      -0.23341241      -0.64620516 
O       6.92980091      -1.35129058      -9.73091102      -0.69416738       0.96433923       0.24130273 
O       1.74878151       4.80341364      -4.40165160       0.42968831      -0.69808214      -0.23411183 
O       1.69573209       3.87932255      -9.77317031       0.38439895      -0.71301502       1.01021037 
O       6.83221007       4.66435754      -4.46221278       0.27585950       0.62962084       0.57561523 
O       6.88995164       3.80844673      -9.65636453       0.18625557      -0.08011319      -0.19460389 
O       4.25374386       4.18588706      -3.30232425      -0.61635064       0.44645176      -1.22034865 
O       4.28432645       3.29524845      -8.64115096       1.06873268       1.12660429      -0.12523125 
O       9.58529962       4.13400000      -3.48245139       0.32738724       0.67530830       0.25584089 
O       9.58534492       3.20749418      -8.76821413      -0.05363966       0.55206581       0.00634465 
O       4.33832304       9.34499471      -3.44344718      -0.43650232      -0.79236864       0.31334442 
O       4.34796337       8.39069888      -8.72199035       0.52473923       0.75382350       0.17568895 
O       9.52975882       9.35076278      -3.44737744      -0.23006595      -0.32191656      -0.06094736 
O       9.51174246       8.52082009      -8.67186066      -0.64151285      -1.27298254      -0.18113118 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0025044779881985904 -0.0022465162849541437 0.0035578543064457633 -0.0022465162849541437 -0.005594425111211809 0.0011834508039776784 0.0035578543064457633 0.0011834508039776784 -0.004641035422353855" pbc="T T T" energy=-961.56554021 free_energy=-961.56554021 config_type=crystal 
Hf       2.78778161       3.00995741      -4.16289003       0.67356023      -1.27711078      -0.86292825 
Hf       2.76026395       2.16871070      -9.41371943       1.04178417      -0.77388251       0.18939603 
Hf       8.05364961       3.05509863      -4.12898396      -0.42986983      -0.92170049      -0.29802635 
Hf       7.99544027       2.20372902      -9.44713355       0.29169278      -1.24567658      -0.10442551 
Hf       2.83340685       8.16008679      -4.18998007       0.35364914       0.65056481       1.53534447 
Hf       2.75810163       7.28631817      -9.32325605       0.27847514       0.71855737      -1.12835320 
Hf       7.99716392       8.10828437      -4.25015011      -0.42964451       0.26233368       0.98000528 
Hf       8.00400208       7.25089585      -9.50344315      -0.08076104      -0.37824357       1.09243997 
Hf       0.20566051       0.73055872      -3.68009256       0.41002969      -0.04301805      -0.24990670 
Hf       0.09179472      -0.15935879      -9.01967374       0.94352353       0.21266539       0.80311367 
Hf       5.47121764       0.82036006      -3.72539734      -0.61899070      -0.39224894      -0.06424907 
Hf       5.49724024      -0.08749487      -8.94382917      -0.61797103       0.31280808      -0.68186539 
Hf       0.33231104       5.88651025      -3.65226559      -1.36180926       0.02458058       0.16155194 
Hf       0.22323694       5.03008343      -8.87313661      -0.24665686      -0.10760845      -1.12628969 
Hf       5.42731386       5.80152865      -3.77249446      -0.53780664       2.05505566      -0.71611564 
Hf       5.35932227       5.04205549      -8.93879204       0.92890408      -0.45301842      -0.49172810 
Hf       2.44691520       1.27127828      -1.04053216      -0.89481985      -0.09637639      -0.59122893 
Hf       2.34128268       0.35206335      -6.39685694       0.12721415       0.31911036      -0.20686585 
Hf       7.55545211       1.21359989      -1.09566916       0.12794297       1.22126428      -0.07374174 
Hf       7.64521044       0.37633038      -6.33091537      -0.44016298      -0.02793432       0.12489309 
Hf       2.38814603       6.41060411      -1.07468342      -0.19889076      -0.23278563       0.07355971 
Hf       2.38475848       5.52123236      -6.28501889       1.25676797      -1.62313307      -0.26498529 
Hf       7.57278250       6.45156455      -1.16880447      -0.22120946      -1.23406041       0.52362270 
Hf       7.57140163       5.42553427      -6.39898678       0.06349526       0.55123491      -0.40645587 
Hf       4.91658442       3.55246040      -1.53091011       0.04785418      -0.99398432       0.00157493 
Hf       5.03323917       2.54286750      -6.78622514      -0.98745390      -0.42933345       0.36733658 
Hf      10.18123354       3.38822954      -1.55978966       0.39299988      -0.09679520       0.49353823 
Hf      10.14922312       2.58350168      -6.76854520       0.87427117      -1.24489688      -0.13966527 
Hf       4.88283570       8.59760410      -1.52400587       1.04156606       0.62376942      -1.09326452 
Hf       4.93989421       7.78525164      -6.76536258       0.84010675      -0.12210498      -0.26838879 
Hf      10.18003128       8.56678408      -1.49706441      -0.55378540       0.94783388       0.20451688 
Hf      10.18748943       7.63812728      -6.69519946      -0.60844734       0.69302965      -1.45950529 
O       1.35244693       2.33923666      -2.80454507      -0.58889501      -0.17936527       0.88091935 
O       1.31449742       1.52039593      -8.06415610       0.00550079      -0.60272799       0.81880483 
O       6.55791916       2.37354871      -2.75440782      -0.06880447       0.21651726       0.08779289 
O       6.54734631       1.50105093      -8.00241718       0.67501067      -0.15617670       0.36407323 
O       1.32127875       7.49765072      -2.63236519      -0.39547879       0.35024313      -0.48640921 
O       1.32183961       6.57505819      -7.91694504       0.56851569       0.36066358       0.72191903 
O       6.52245916       7.44579410      -2.86493404      -0.09275655       0.22203273       0.64111328 
O       6.67046206       6.49972731      -8.04864233      -1.44439936       0.30312030       0.08151986 
O       3.96030707       1.46040432      -5.20068532       0.04537656      -0.48386091       0.33732433 
O       4.00392221       0.56938034     -10.46222930      -0.76742511       0.55248598       0.07062248 
O       9.15144381       1.37634369      -5.09520516      -0.21693837       0.32039982      -0.28268480 
O       9.07145112       0.43041790     -10.39410035       0.25379578       0.54964156      -0.03609754 
O       3.88758914       6.58784299      -5.12266114       0.42710374       0.01848291      -0.39912725 
O       3.88297418       5.72354423     -10.44652704       0.40176061      -0.03322194       1.03323473 
O       9.10808522       6.50154275      -5.17663268       0.92041690       0.36243956       0.58479031 
O       9.14045390       5.67574111     -10.36716121      -0.13297609      -0.31157637      -0.79712946 
O       3.78690292       1.89962666      -2.61513552       1.06179968       0.24096171       1.08042035 
O       3.90320139       1.02824606      -7.82567112      -0.55756897      -0.56843263       0.31457634 
O       9.11599722       1.91362166      -2.58209469      -0.73496709      -0.56839300       0.64008536 
O       9.15109595       0.97163070      -7.72896766      -0.97172095       0.07015398      -0.11825033 
O       3.77074185       7.03815851      -2.47699665       0.96654398       0.17030693      -0.58188204 
O       3.87929020       6.13073215      -7.79787628      -0.19489925       0.44302833       0.56820700 
O       9.05192858       7.00781979      -2.48157963       0.26777889      -0.24545831      -0.34988186 
O       9.10241856       6.03570750      -7.77234590       0.45191857       0.29084397       0.54183517 
O       1.22051200       2.72393903      -0.08680813       0.05818053       0.88682147      -0.70435898 
O       1.25713249       1.93185687      -5.35191149      -0.08187912      -0.30254100      -0.67239955 
O       6.45961128       2.84791943      -0.07205333      -0.25030622       0.09586384      -0.61702018 
O       6.52165672       1.96641730      -5.33601277      -0.06347856      -0.46365208      -0.24846620 
O       1.21953116       6.22136119     -10.47672557       0.25922169      -0.02293454      -0.56069972 
O       1.34618408       7.08592272      -5.27133756      -1.45436092      -0.24302571      -0.67169936 
O       6.46540346       7.95810881      -0.19528998      -0.61388648      -0.35430654      -0.26537670 
O       6.41681854       6.96982024      -5.45457277      -0.02261144       0.62668434      -0.23251758 
O       3.64598943       3.80418803      -5.97067148      -1.18289992       1.03648039      -0.44596593 
O       8.69366352       4.51217643      -0.81394917      -0.76126214       1.67389171      -0.68019825 
O       8.66717107       3.70490493      -6.03949757       0.01967201       0.20371401      -0.31562958 
O       3.50628110       9.84869454      -0.78918501      -0.47400348      -0.05743337       0.62440825 
O       3.50510898       8.93673003      -5.96791938       0.48907624       0.03423112      -1.31223765 
O       8.61241900       9.84079651      -0.77696622       1.45288298      -1.33124315      -1.20532159 
O       8.67595763       8.87737647      -6.04582407       0.44667127      -0.06996562      -0.47332636 
O       0.80095563       0.06859730      -1.73273975       0.54164198      -0.11436802      -0.37165871 
O       0.85529625      -0.93653629      -7.08913132       0.28196584       0.41699968       0.20865209 
O       6.12003182       0.04697021      -1.80314156      -1.23763786      -0.77824545      -0.87800484 
O       6.13263992      -0.81530638      -7.08101500      -0.28508040      -0.63897916      -0.07186252 
O       0.96550777       5.08825340      -1.83899601       0.11605811       0.33592047      -0.03383100 
O       0.92105061       4.19199397      -6.99190577       0.48941014       1.33781786      -0.55975796 
O       6.06866999       5.17990395      -1.95723964       0.47956186      -0.32788056       1.65024997 
O       6.12678592       4.19407809      -7.08543490       0.19878674       0.96500741      -0.53091942 
O       1.73429131      -0.43375968      -4.56891836      -1.16798584       0.31626092       1.20254758 
O       1.72801630      -1.22229283      -9.60206433       0.87577554      -1.28383836      -0.36267846 
O       6.86466176      -0.44935983      -4.53680274       0.03115188      -0.04098955       0.34208721 
O       6.93250862      -1.31585403      -9.74959429      -1.02215505       0.29931890       0.74257103 
O       1.78127903       4.75795120      -4.44083905      -0.61037201       0.22826959      -0.12352545 
O       1.78340998       3.89012332      -9.76824596      -0.25819401      -0.32558051       0.93434256 
O       6.91761403       4.76511352      -4.50962387       0.59705435      -1.20418765       0.39824899 
O       6.92272523       3.83503418      -9.70605089      -0.56224908       0.92287368      -0.57744805 
O       4.19812149       4.26358060      -3.44700730       0.67712229      -0.23079336       1.44478683 
O       4.28587574       3.35446490      -8.62267718      -0.41137403       0.02193083      -0.73303198 
O       9.55249039       4.19037642      -3.44427126       0.38806479       0.92540132      -0.01170356 
O       9.59087152       3.29412551      -8.80593538      -0.08855419      -0.08416842       1.13801589 
O       4.27481372       9.41873875      -3.43635613       0.22582692      -0.43722574       0.58803464 
O       4.29318573       8.52287553      -8.64415361      -0.04224859      -0.54831850       0.18813891 
O       9.38742300       9.34063615      -3.37032856       0.77968286       0.03778992      -0.11390633 
O       9.44904493       8.38872804      -8.75818292       0.92365777       0.16559929       1.23629503 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0005278352767235686 -0.00447138334001085 -0.002513827481759744 -0.00447138334001085 -0.0042610084689609275 0.0022056431445338937 -0.002513827481759744 0.0022056431445338937 -0.0052234152785360635" pbc="T T T" energy=-961.77494677 free_energy=-961.77494677 config_type=crystal 
Hf       2.74738185       2.98667270      -4.11129951       0.64210322       0.39644594      -1.05076541 
Hf       2.84472676       2.03586428      -9.32137886      -0.84369449       0.52500798      -1.28658634 
Hf       7.97038272       3.13719426      -4.11625725       0.80137348      -1.38067322      -0.38884568 
Hf       8.10640530       2.15459691      -9.39336846      -1.20697333      -0.96823398       0.17126298 
Hf       2.82054730       8.24458273      -4.17400658      -0.35517846      -0.21554393       1.00528017 
Hf       2.86683502       7.27095289      -9.36856156      -1.68998688      -0.33711573      -0.92820889 
Hf       8.08718564       8.13862433      -4.18808976      -0.61364996       0.15413602      -0.25894688 
Hf       7.92674463       7.20809256      -9.40012695       1.87260607       0.58962776      -0.69006027 
Hf       0.18110669       0.82783084      -3.78387961      -0.02965447       0.18766538       0.62000628 
Hf       0.16778477      -0.13493100      -8.94946022       1.21395322       0.53281803      -0.37371001 
Hf       5.37278310       0.87268164      -3.71014419       0.65764952      -0.93480645      -1.10329739 
Hf       5.43665765      -0.08019684      -8.97213528       0.59062766       0.01274870      -0.02096960 
Hf       0.24802424       5.99519918      -3.71412611      -0.18405520      -0.25482055      -0.02587413 
Hf       0.24147565       5.07485188      -8.97166706       0.47846902      -0.57614581       0.49236785 
Hf       5.31775121       5.89815365      -3.75061250       0.57456193       0.45002947      -0.15121022 
Hf       5.38066975       4.95704097      -9.03206233       0.96541943      -0.21459570       0.58553882 
Hf       2.29858584       1.18372169      -1.13985173       0.69528955       0.01553963       0.91969124 
Hf       2.43883290       0.28458355      -6.34753328      -0.71072209       0.89701042      -0.37545327 
Hf       7.57165692       1.19677617      -1.13503816       0.72341306       0.93756269       1.14421047 
Hf       7.58523984       0.28551669      -6.31816619      -0.89344061       1.21988072      -0.50222512 
Hf       2.46257899       6.28911417      -1.08402044      -0.66209780       0.24396226       0.87047803 
Hf       2.33259598       5.47031085      -6.30706255       1.04383747       0.37157670       0.33733223 
Hf       7.53904376       6.32190700      -1.10679673       1.43299777       0.53078734      -0.50373181 
Hf       7.54300610       5.49075059      -6.38103172       0.19796561       0.16667484      -0.08364001 
Hf       4.94360324       3.48953250      -1.47776749      -0.41864319      -0.69457358       0.38489104 
Hf       4.96770290       2.58344402      -6.76300678       0.98589940      -0.15591522       0.09735008 
Hf      10.20517267       3.51828083      -1.50990243      -0.27221108      -0.59362637       0.04023910 
Hf      10.13246160       2.62360191      -6.76218584       0.45262812      -0.24665817       0.06819163 
Hf       5.00099206       8.63285955      -1.55272843      -0.34477638       0.43368873      -0.18036624 
Hf       4.98686115       7.67056699      -6.82206669      -0.06182086       0.46795884       0.29493712 
Hf      10.19297800       8.62445330      -1.48780531      -0.31245573      -0.77340708      -0.05147187 
Hf      10.20232490       7.70943758      -6.81334059       0.05663831      -0.28411477      -0.00759084 
O       1.31870891       2.33335918      -2.75843207      -0.19208829       0.15306881       0.10636862 
O       1.42669369       1.37883119      -7.96589929      -0.87824313       0.29655257       0.16004049 
O       6.49641215       2.31866509      -2.77909606       0.79443103       0.83984635       0.36613272 
O       6.55532658       1.48094088      -7.89978163       0.44093878      -0.31970689      -1.26689521 
O       1.36813752       7.49736149      -2.68001023       0.32573675       0.23984920      -0.19188015 
O       1.42971405       6.58959669      -7.88243781      -1.08449435       0.47475476      -0.83468166 
O       6.57333639       7.53791662      -2.87651639      -0.55926128      -0.84045728       1.11715894 
O       6.54474094       6.63655311      -8.06169445      -1.28359793      -0.62462594       0.69938096 
O       3.95914793       1.44735159      -5.20262478      -0.65600491       0.17091833       0.78916385 
O       3.97252814       0.63251645     -10.41962822      -0.22033593      -0.44204207       0.26118552 
O       9.13235154       1.58060644      -5.09381719      -0.16351878      -0.63587471      -0.35124488 
O       9.10462941       0.60243169     -10.36195806       0.35692079      -0.33220194      -0.21682178 
O       3.81820368       6.70531172      -5.12358982       1.66018901      -1.58477413       0.39936426 
O       3.98675089       5.64740620     -10.40450864      -0.63340957       0.28893662      -0.07809702 
O       9.14163860       6.49866117      -5.19729857      -0.04529285       0.99324430       0.32817839 
O       9.19348440       5.65363016     -10.32417864      -1.32958129       0.24038972      -0.89299831 
O       3.81695664       1.79487131      -2.52561225       0.13268726       0.71711616      -0.01008035 
O       3.86683691       0.96392259      -7.75438601       0.75054037      -0.29718129       0.10239514 
O       9.14662293       1.95750178      -2.47431805      -0.92246629      -0.50975840       0.13431428 
O       9.12749792       0.92992262      -7.74614494      -0.29013530       0.75971752       0.49445874 
O       3.93342011       7.01207438      -2.51517005      -0.19546501       0.02933739       0.26985245 
O       3.83417970       6.13928562      -7.73805130       0.94338494      -0.62725252      -0.36109462 
O       9.14878951       6.98454533      -2.59212254      -0.90749890       0.92099314       1.14197349 
O       9.04273317       6.12143597      -7.75729352       0.29293606       0.26785216      -0.30928803 
O       1.27879096       2.71793390      -0.11284454      -0.40295784       0.68917774      -0.19034092 
O       1.28241613       1.99726648      -5.40174559      -0.09020960      -0.18263334       0.02959545 
O       6.47453351       2.81252400      -0.09400607       0.17350408      -0.13448181      -0.25469613 
O       6.43779343       1.93591853      -5.42240696       0.25823657      -0.08862429       0.90263999 
O       1.18954872       6.14152567     -10.47981558       1.29530860       0.04255114      -1.18266031 
O       1.27430828       7.10052765      -5.33249843      -0.58595938       0.27530952       0.04382114 
O       6.49625442       7.89267148      -0.16244731      -0.47102006       0.22882840      -0.16386952 
O       6.45675229       7.06706431      -5.41887645      -0.31974696      -0.50586813      -0.08228504 
O       3.67715491       3.89526559      -5.89199396      -0.83181946       0.03139729      -0.39313433 
O       8.81741640       4.77345444      -0.74703472      -0.22055616      -0.35213545      -0.08221960 
O       8.61850834       3.82332493      -6.02031709       1.02546253      -0.63797306      -0.57918560 
O       3.44709082       9.77803180      -0.79455953       0.82110756      -0.51552684      -0.13288599 
O       3.52406825       8.87533785      -6.01898845      -0.02321542       0.93367288      -0.58382150 
O       8.61897486       9.73408513      -0.75295600       0.58438458       0.34947592      -1.13630623 
O       8.80131009       8.97643570      -6.03782524       0.00898571      -0.75063604       0.11722993 
O       0.95251294      -0.05485254      -1.89235201      -0.66287706       0.21085582      -0.15987913 
O       0.97074646      -0.92683549      -7.05851781      -0.36542429      -0.06806481      -0.35386897 
O       6.08546050       0.11328579      -1.77652782      -1.07780661      -1.44953639      -0.90153474 
O       6.10858379      -0.89076408      -7.14200848       0.01063553      -0.29794776      -0.02451833 
O       1.03841315       5.08304233      -1.87400402       0.36596692       0.50837884       0.01605678 
O       0.93328830       4.28879493      -7.07334337      -0.74435947      -0.79487690      -0.05460736 
O       6.10828361       5.09563388      -1.80294320       0.06147896       0.87778066      -0.67908018 
O       6.13232800       4.28232807      -7.17190292      -0.51184382      -0.05459736      -0.07637774 
O       1.74038304      -0.27732472      -4.45560728       0.26234462      -0.91748587      -0.03408304 
O       1.63645016      -1.36263661      -9.75522250       0.55829185      -0.32492300       0.27124089 
O       6.85983786      -0.44176992      -4.56513962       0.02294832      -0.08703839       1.14033761 
O       6.82075206      -1.38248416      -9.76664735       0.04370777       0.44843014       0.27187377 
O       1.62787183       4.74422908      -4.49172751       0.75403845      -1.10160041       0.31263252 
O       1.73428071       3.75585785      -9.64332942       0.58792141       0.33854888      -0.91961370 
O       6.79681584       4.64670198      -4.54351660      -1.22669331       1.60992620       0.53939123 
O       6.97903158       3.81745633      -9.75265427      -0.86739063       0.45000666       0.33103275 
O       4.24514132       4.18860831      -3.30009550      -0.21877302       0.50265996      -0.23791976 
O       4.41926334       3.18236402      -8.73986287      -0.28779743       0.74879633       0.14187018 
O       9.43180764       4.32872134      -3.38712047       0.16093900      -0.27584961       0.30255689 
O       9.56980395       3.28189812      -8.69631012       0.29971842       0.43549984       0.77735764 
O       4.30635585       9.42860146      -3.42035114      -0.03702430      -0.63913981       0.44438782 
O       4.25949530       8.43670327      -8.69848510       1.15160768       1.30900168       0.52425508 
O       9.47862610       9.40745767      -3.43793836       0.04493878      -0.15053406       0.38101299 
O       9.51308250       8.48943212      -8.76339363      -0.76798291      -1.32293733       0.98382629 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.001543406624399047 -0.005158511391754794 0.0007005692602352073 -0.005158511391754794 -0.0019906556172361793 0.0008056643900817056 0.0007005692602352073 0.0008056643900817056 -0.007905800194285297" pbc="T T T" energy=-961.36319732 free_energy=-961.36319732 config_type=crystal 
Hf       2.86704158       3.08638115      -4.15996930      -0.42686869      -0.51780483      -0.49608471 
Hf       2.82832132       2.22731388      -9.35302972      -0.68852404      -0.40945620      -0.58192415 
Hf       8.02740373       2.90714215      -4.10694953      -0.49683641       1.74307085      -0.87200262 
Hf       8.01769015       2.10842524      -9.44338138      -0.02896777       0.08969536       0.94278993 
Hf       2.84917131       8.16923235      -4.13110529      -0.32570587       0.10135667      -0.69301675 
Hf       2.81021737       7.24419419      -9.41533242      -0.14854408      -0.25568747      -0.04850781 
Hf       7.99858614       8.17839960      -4.15986450       0.51781082      -0.30375018       0.50305647 
Hf       7.96017145       7.24522682      -9.41590828       0.05747930       0.20275301      -0.68320848 
Hf       0.27533554       0.75812219      -3.64865255      -0.33156980      -0.13431367      -1.63858672 
Hf       0.29352386      -0.17550528      -8.99109419      -2.11076564       1.48103898      -0.45455065 
Hf       5.38748755       0.76827742      -3.69192557      -0.52425497       0.25351812       0.09627200 
Hf       5.36822425      -0.12871350      -9.04797985       0.77792540      -0.15842873       1.22642034 
Hf       0.26793007       5.87524754      -3.68654097      -0.26479954       1.20879093      -1.55192649 
Hf       0.21708412       5.01183481      -9.05446754      -0.27301894      -0.64105186       0.49508428 
Hf       5.39846905       5.91141645      -3.69659539       0.48689715       0.20431105       0.36554145 
Hf       5.44940623       4.98089311      -8.89872475       0.14097279       0.78036749      -1.59034943 
Hf       2.34485227       1.27694478      -1.09650080      -0.39683570      -0.32133750      -0.53735267 
Hf       2.33519251       0.35819135      -6.36465448       1.34951774      -0.00399513       0.56697747 
Hf       7.53072290       1.30423106      -1.15807802       0.07195811      -1.59690419       1.33386192 
Hf       7.57083941       0.32079401      -6.32420465       0.16908294       0.38159756      -0.90659708 
Hf       2.43743655       6.41912930      -1.11470546      -1.09256465      -0.86671689       1.21964641 
Hf       2.34106033       5.45027040      -6.45365503      -0.34693707       0.03976872       0.88381397 
Hf       7.56470612       6.35384875      -1.14862392      -0.41347638       0.53100047       0.72751858 
Hf       7.63170420       5.50286562      -6.27006038       0.13111842      -0.47073517      -0.37738525 
Hf       4.91509154       3.54740893      -1.42725190      -0.61444061       0.46716393      -0.70146765 
Hf       5.06206133       2.60576861      -6.81561292      -1.03215076      -0.72380168       1.12446152 
Hf      10.15926180       3.50991034      -1.55121593       0.35375199      -0.38537416       0.55137499 
Hf      10.13538802       2.48584216      -6.79501571      -0.20677189       0.76678015      -0.96530133 
Hf       4.96142394       8.58799901      -1.43157730       0.15232768      -0.02156598      -1.21208627 
Hf       5.00174982       7.67070530      -6.76381721      -0.38819797       0.77208803      -0.03896625 
Hf      10.17981298       8.57967415      -1.51239086      -1.11346060       0.13942222      -0.71096810 
Hf      10.09795460       7.72233254      -6.81318151       1.15533176      -0.40834972       0.34474837 
O       1.25680000       2.40541686      -2.78752205       0.91841837      -0.02965050       0.13546636 
O       1.34042713       1.46772744      -8.10072240      -0.44567900      -0.09227202       0.69326206 
O       6.42424324       2.42711880      -2.67346984       1.22197300      -0.82976131      -0.66117357 
O       6.58105336       1.46504313      -7.96099132      -0.97406812      -0.08744490      -0.55851151 
O       1.27713693       7.54737729      -2.86951859      -0.03235647      -0.29125455       1.15369270 
O       1.29964407       6.51366316      -8.05488178      -0.00215177       0.70595634       0.10493577 
O       6.45624587       7.50656351      -2.81185075       0.02839302       0.04825349       0.39979902 
O       6.39385121       6.60032446      -8.00259180       0.95450099       0.36646405       0.10079242 
O       3.95751104       1.42936432      -5.14962539      -0.18870033       0.74743694      -0.02202098 
O       3.86921110       0.75054585     -10.36957067       0.62143073      -1.42974583      -0.49116868 
O       9.11745913       1.43917057      -5.14826346       0.12285124      -0.03251192       0.50306248 
O       9.10371911       0.53469886     -10.25634265      -0.34989961      -0.32940740      -1.66125786 
O       4.01588975       6.61660428      -5.08603059       0.02694841      -0.00899990      -0.27154860 
O       3.94527668       5.67564015     -10.37637327      -0.41467802       0.18738993       0.48050755 
O       9.20739254       6.57596759      -5.14848219      -0.43912932       0.06987951       0.16805882 
O       9.07899042       5.63958528     -10.40135143       0.39185268       0.20371874       0.12726651 
O       3.81051289       1.89495919      -2.52448806       0.03960632       0.14273173       0.59161848 
O       3.83961818       1.13551063      -7.82020945       0.53535460      -1.21252350       0.99749305 
O       9.09438083       1.91329254      -2.50938854      -1.05186608      -0.29524569       0.21866076 
O       9.04542758       0.92947450      -7.75438601       0.07279908       0.62113861       0.47462580 
O       3.77892348       7.04204202      -2.40029050       1.39894595       0.54666025      -1.61943088 
O       3.82663395       6.15687203      -7.78610229       0.09110961       0.17840426       0.47816442 
O       8.96763243       7.01834162      -2.50076955       0.95431575       0.39733170      -0.54505883 
O       8.96974831       6.16261047      -7.77625159       0.10773549      -0.22459101       0.19536747 
O       1.20340002       2.77916652      -0.17111008       0.35028332       0.01557949      -0.02522860 
O       1.21150622       1.90912591      -5.44686503       0.69422780      -0.23519747       0.42654265 
O       6.43537374       2.86375561      -0.15498475      -0.01401995      -0.64365449       0.59636754 
O       6.48661545       1.96708982      -5.37965719       0.07133936      -0.09956167       0.47724956 
O       1.24012815       7.98945172      -0.14990583       0.29359868      -0.60838826      -0.04648449 
O       1.30621230       7.07072098      -5.43111677       0.15118665       0.06099078      -0.61124948 
O       6.42902464       7.92747107      -0.13211763       0.37958169       0.17471736       0.11457157 
O       6.60017608       7.07539821      -5.38177915      -1.21518646       0.23342102      -0.13201064 
O       3.70326499       3.92951811      -5.88800174      -0.35918097      -0.63885469      -0.45594211 
O       8.63337217       4.60520941      -0.81363006       0.09506933       0.25194999      -0.85342603 
O       8.67636680       3.79817950      -6.14529422       0.36510537      -0.85660036       1.14300392 
O       3.45462565       9.81224524      -0.77686236       0.10729590       0.35953878      -0.10272268 
O       3.53873322       8.94174116      -5.95367240      -0.02169590       0.22223076      -1.33896950 
O       8.73638935       9.78619600      -0.70909894      -0.29393200       0.71629080      -0.92900720 
O       8.69777049       8.90006443      -6.04990323      -0.47544971       0.36770914       0.40893541 
O       0.85283895       0.00736811      -1.85399641       0.96806608       0.73178867       0.76809315 
O       0.84136068      -0.75808773      -7.12274002       0.24746219      -1.41310578       1.00571420 
O       6.08658140      -0.08000122      -1.79239799       0.73516664       1.84544706      -0.79971843 
O       6.19581634      -0.94576510      -7.18015764      -0.68475003       0.19963258      -0.05347137 
O       0.97726055       5.15809049      -1.85809448      -0.06890969       0.03415529       0.09938214 
O       0.93568534       4.14857760      -7.18446035       0.16673036       0.54310815       0.01530673 
O       5.98646831       5.25353575      -1.69428168      -0.65592264      -0.45068692      -0.66784746 
O       6.16026574       4.27074516      -7.04926501       0.04338302       0.25846759      -0.32548429 
O       1.81552513      -0.35452094      -4.36911008      -0.53043844       0.33881863      -0.73619015 
O       1.61287053      -1.37192625      -9.77578349       1.11246938      -0.55440632      -0.13994141 
O       6.94375768      -0.31415207      -4.40086962       0.31159579      -0.71906367      -0.29331945 
O       6.75583153      -1.38914526      -9.90336475      -0.18118778       0.76255030       1.09250984 
O       1.64908320       4.74359034      -4.61355761       0.32015292      -0.90403134       0.85564069 
O       1.75708907       3.84142244      -9.73474121      -0.76546627       1.12532637      -0.50705498 
O       6.93095507       4.75415466      -4.24873662       0.26443312      -0.49016207      -1.10361118 
O       6.90778512       3.87969751      -9.78666304      -0.24719566      -0.80801394       1.31144743 
O       4.16298380       4.31351081      -3.24091148       0.09558751       0.08657081       0.05472895 
O       4.18786056       3.45894012      -8.59517037       0.73705097      -0.06892455       0.47004461 
O       9.48546936       4.25653147      -3.42438473      -0.32965804      -0.79479368       0.04767230 
O       9.46448366       3.32752971      -8.83444689       0.57983037      -0.18798858       1.09710435 
O       4.32316184       9.38700768      -3.46018301      -0.00098046      -0.67873565       0.91936733 
O       4.20264865       8.50222877      -8.67537962       0.44036373       0.60180104       0.33681022 
O       9.54131584       9.34998085      -3.46501275      -0.45602830      -0.19018388       0.36832008 
O       9.45142628       8.44424465      -8.67531052       0.08551041       0.11235305       0.20435952 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0006555655452490298 -0.0009666471722865874 -0.00039672420115743586 -0.0009666471722865874 -0.0037126898138295445 0.0008285237986665797 -0.00039672420115743586 0.0008285237986665797 -0.006358990848907038" pbc="T T T" energy=-961.82997183 free_energy=-961.82997183 config_type=crystal 
Hf       2.81086302       3.03310501      -4.13105699      -0.41045631      -0.00478471      -0.04924317 
Hf       2.77278239       2.14464463      -9.40290068      -0.19018221      -0.64812808      -0.02064439 
Hf       7.94686730       3.01551689      -4.21592040       0.32552214       1.16797379       0.40812286 
Hf       8.05641104       2.13521600      -9.33252912       0.75477373      -0.11720069      -0.06722680 
Hf       2.84662206       8.11293121      -4.13311027      -0.37023579       0.10835091      -0.47505782 
Hf       2.79143161       7.25959591      -9.48780116       0.43398650       0.61426717       0.77260892 
Hf       8.01498504       8.13603191      -4.19390593      -0.43813040      -0.44114476       0.10979968 
Hf       7.99842332       7.27686861      -9.42854857       0.54009125       0.17964871       0.08566653 
Hf       0.15725317       0.86383404      -3.73558091       0.35752739      -1.52613353       0.97509300 
Hf       0.22107618      -0.14225518      -8.98270864      -0.52204846       0.83936778       0.36828915 
Hf       5.46707596       0.80980144      -3.73241782      -0.19155696      -0.86721443       0.18283507 
Hf       5.40710297      -0.11374520      -8.96250961      -0.16236769      -0.05619183       0.52300937 
Hf       0.26368885       5.87833587      -3.72657256      -0.81745011       0.66726103      -1.03653305 
Hf       0.22595826       5.08086351      -8.97716454      -0.13225426      -0.66456596       0.41439613 
Hf       5.33973729       5.95037867      -3.65438797       1.72118143      -0.01577321      -1.09231111 
Hf       5.42264010       4.94525188      -8.91286484       0.10851029       1.13002840      -0.92631304 
Hf       2.31665602       1.26982306      -1.08828892       0.27710166      -0.51709197       0.32974374 
Hf       2.37267259       0.24758552      -6.30676633      -0.17674432      -0.10305262       0.12566998 
Hf       7.60858642       1.34122973      -1.03070771      -0.16485187      -1.34620319      -0.42646260 
Hf       7.57599133       0.36731536      -6.35969726      -0.41970827      -0.77224016      -0.30448335 
Hf       2.37305662       6.41713033      -1.07493617       0.17364550      -0.52234315      -0.59462158 
Hf       2.48391494       5.44022156      -6.40969097      -1.55928600       0.75392955       1.06587938 
Hf       7.52737857       6.30364781      -1.03437861       0.64477661       0.45265737      -0.63457338 
Hf       7.60949598       5.48642016      -6.42557499      -0.30117940       0.09227987       1.33534968 
Hf       4.90495134       3.40995751      -1.55646958       0.76787613       1.01851643       1.31101030 
Hf       4.90061204       2.51281215      -6.80989189       0.67137262      -0.32683819       0.64011292 
Hf      10.25086649       3.51711476      -1.53399424      -1.66307019      -0.30766678       0.37532741 
Hf      10.22921633       2.57706541      -6.70102214      -0.36674755       0.51899689      -1.43652063 
Hf       5.01709930       8.66208430      -1.56040457       0.15495115      -0.00809056       0.32919293 
Hf       4.98072963       7.70307171      -6.80252174       0.42860026       0.42808402       1.02884548 
Hf      10.13857286       8.59921906      -1.55992543      -0.36114618       0.38732227      -0.16463055 
Hf      10.19368464       7.71565986      -6.76464434       0.31014840       0.12350605      -0.21838401 
O       1.26913474       2.40999679      -2.66550724       0.77137331       0.02661954      -0.59722688 
O       1.28470979       1.42428219      -7.91928909       0.61503776       0.75724059      -0.11330257 
O       6.50320221       2.38857366      -2.76545454      -0.03841535       0.13792711       0.21907143 
O       6.57202472       1.46557150      -8.00102900      -0.83399069      -0.17348819       0.53345997 
O       1.38958870       7.43281693      -2.79987042      -0.56639923       0.38277888       0.71539201 
O       1.41535996       6.58283033      -8.01996996      -0.00736889       0.11179644      -0.45850194 
O       6.52141806       7.48081999      -2.78613933       0.08473927       0.03939477       0.84340542 
O       6.60074796       6.65733085      -8.05370571      -0.78818389      -1.23867512       0.95559431 
O       3.98844160       1.50847362      -5.06877802      -0.40911272      -0.64559383       0.09749886 
O       3.99223011       0.59444706     -10.33666236      -0.67052244       0.59997427      -0.55648562 
O       9.12466158       1.46879337      -5.15078486      -0.29383359      -0.25364817      -0.15918787 
O       9.17891523       0.63082408     -10.38669534      -0.26670221      -0.76691645      -0.23182039 
O       3.92264776       6.52050212      -5.10107866       0.46438916       0.26021672      -0.12574604 
O       3.93057171       5.65724379     -10.36986815      -0.18133796       0.25520697      -0.02332223 
O       9.07482983       6.56389912      -5.17401562       1.14113630      -0.04586984       0.46147894 
O       9.15473816       5.65796386     -10.37881287      -0.28225567       0.21611783       0.18502170 
O       3.87133155       1.90516898      -2.44705013      -0.71004849      -0.20957085      -0.77518303 
O       3.87865213       0.87052080      -7.65273814      -0.27082422       0.82665963      -0.48488678 
O       9.00824446       1.81932877      -2.54513305       0.15182413       0.57875212       0.40130403 
O       9.05832661       1.00520711      -7.72793031       0.12838264       0.07292839       0.10366208 
O       3.83516688       6.99495593      -2.49686848       0.54454554       0.30312970       0.59878808 
O       3.93778985       6.16158366      -7.65019637       0.14159414      -1.37161124      -1.43113599 
O       9.12071867       7.01257999      -2.45608242      -0.79571689      -0.05640180      -0.57695394 
O       9.16505552       6.18425463      -7.75301505      -0.70998076      -0.39448657      -0.20603844 
O       1.29067413       2.80785182      -0.02856390      -0.20664880       0.31857275      -0.85088472 
O       1.25452702       1.90556779      -5.26387028       0.25330677      -0.09818534      -0.21938992 
O       6.52972510       2.78101877      -0.02941949      -0.74693406       0.53252352      -1.01248961 
O       6.44639628       1.99122086      -5.41155145       0.32040102      -0.69244303       0.21738653 
O       1.27193399       7.97354728      -0.19631558      -0.05889129      -0.01112879       0.34258812 
O       1.34247879       7.11538577      -5.39699922      -0.85566637      -0.51699177      -0.34263569 
O       6.49317308       7.94661039      -0.10132256      -0.41508569      -0.60232393      -0.30896383 
O       6.51368913       7.00840932      -5.39131420      -0.87415972       0.45644214      -0.51740411 
O       3.38094952       3.63509314      -6.05919362       0.35049810       0.53148636      -0.44327614 
O       8.71914063       4.69699865      -0.66536180       0.31636379       0.03973650      -1.01416185 
O       8.70800836       3.80398845      -6.08844384      -0.43225428      -0.25508520       0.43244351 
O       3.51819046       9.89797462      -0.82673437       0.11556899      -0.65880165       0.25849881 
O       3.49183361       8.86253081      -6.01303210       0.05352956       0.33444432       0.09188480 
O       8.66460872       9.78457955      -0.72998555       0.31646916       0.71749805      -0.90080381 
O       8.69502455       8.90409670      -6.07142092      -0.04889309       0.49421001       0.04866829 
O       0.88787700       0.06297499      -1.83600261      -0.40170784      -0.28320986      -0.27340796 
O       0.99512811      -0.91349301      -7.26625130       0.05142077      -0.61233658       1.98912374 
O       6.14301941       0.05836797      -1.84974389       0.03506181       0.09747199       0.17815378 
O       6.01784680      -0.85155575      -7.11256726       0.99271882       0.33659387       0.58111968 
O       0.79051546       5.24294683      -1.82594484       1.02319703      -0.13766098       0.34192425 
O       0.87712003       4.33942419      -7.05795981       0.46223729      -0.32888713       0.11867112 
O       6.07313387       5.08957605      -1.77618771      -0.41975080       0.27457645      -0.38811386 
O       6.03943918       4.20395508      -7.09266876       0.59738690       0.90233945       0.05384717 
O       1.68580614      -0.48967158      -4.39361036      -0.25369172       0.97709825      -0.62527605 
O       1.62829378      -1.31837466      -9.72741653       0.95817337      -0.84753493      -0.98658200 
O       6.84367586      -0.44100533      -4.50660999       0.34661588       0.36847969      -0.30151900 
O       6.79548910      -1.31301820      -9.67644617       1.07739787      -0.90877722      -0.67995481 
O       1.77685017       4.79216291      -4.49508654      -0.39234749      -0.65599110       0.49975171 
O       1.65496307       3.78705831      -9.78447314       0.24697143       0.30949118       0.24363780 
O       6.91358135       4.77525865      -4.43164820      -0.16283426      -0.54248622      -0.17461712 
O       6.80616814       3.68208475      -9.71928099      -0.21746414       1.36258271       0.25381329 
O       4.14350875       4.35798465      -3.41817290       0.53619751      -1.44152089       1.13625920 
O       4.23326698       3.32655425      -8.67761278      -0.19907495      -0.35193484       0.17232280 
O       9.52959652       4.13735597      -3.48232780       0.33091582       0.25550433       0.57203863 
O       9.54123376       3.39606781      -8.56696927      -0.70989981      -0.65043176      -0.56724332 
O       4.38997081       9.28866350      -3.43065736      -0.12326031       0.62761112      -0.01313268 
O       4.17670969       8.42191702      -8.59152184       0.52869880       0.76999137      -0.88459637 
O       9.41166449       9.38230670      -3.47276870       0.89547386       0.33626603       0.68365471 
O       9.42276808       8.51974210      -8.65174185       0.15209626      -0.13853765       0.09482022 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.002142277246740861 0.002353922246173373 -0.003002685482701559 0.002353922246173373 -0.0006747125166888467 0.0028331432758852055 -0.003002685482701559 0.0028331432758852055 -0.0013370405685550247" pbc="T T T" energy=-961.78528635 free_energy=-961.78528635 config_type=crystal 
Hf       2.82576094       2.99752175      -4.14289997      -0.56603699       0.20700459      -0.09763425 
Hf       2.83708553       2.18093539      -9.38337295      -0.59536177      -0.16164475       0.03236833 
Hf       8.02556880       3.05947913      -4.12230454      -0.37973808      -0.78491279      -0.44665892 
Hf       7.93622442       2.10198740      -9.45812924       1.46652610      -0.06641517       1.04082963 
Hf       2.77292213       8.22438015      -4.08001480       0.95159650      -0.60045693      -0.87394888 
Hf       2.77394288       7.24679831      -9.39942215       1.23290287       0.02009414       0.17015756 
Hf       8.03846596       8.19930671      -4.21518515      -0.49395176      -0.66624314       0.03413975 
Hf       7.96888621       7.25732519      -9.44281361      -0.05836595      -0.24064237       0.73447869 
Hf       0.19336079       0.80280270      -3.64431654      -0.30641215       1.30983824      -0.38347345 
Hf       0.24698209      -0.11689627      -8.92116345      -0.43248584       0.20722716      -0.25912299 
Hf       5.37149429       0.86990802      -3.69384182       1.14082960      -0.62980906      -0.15173889 
Hf       5.40885737      -0.09501262      -9.06703800      -0.15361030      -0.41593495       1.93720211 
Hf       0.20484456       5.90253448      -3.81039506       0.14327191       0.00161485       0.89741357 
Hf       0.17359378       5.07562306      -9.00012344      -0.30431285      -1.19693760       0.95202038 
Hf       5.41302170       5.93688735      -3.71266485       0.07978738      -0.13268401      -0.74387209 
Hf       5.45615192       5.02600832      -8.98663691      -1.11800586       0.41546218      -0.36843908 
Hf       2.42329183       1.24296081      -1.04917824      -0.68618763       0.16481764      -0.11687577 
Hf       2.33223793       0.27001488      -6.26976889       0.38688901       1.37663409      -0.50090116 
Hf       7.61268830       1.20209556      -1.05844878       0.00182062       0.31827917      -0.54662518 
Hf       7.59344890       0.35308642      -6.27454970      -0.61063474       0.55098848      -1.16200762 
Hf       2.45695981       6.36217477      -1.13557358      -0.02738827       0.20932089       1.43175173 
Hf       2.42331198       5.47841015      -6.29432923      -0.01691491      -0.24820013      -0.83582222 
Hf       7.58845532       6.33536288      -1.09433170       0.29551260       0.17939275      -0.62902754 
Hf       7.49898938       5.40058317      -6.37860913       0.27806698       0.66152947       0.73579542 
Hf       4.95050156       3.45335757      -1.49662664       0.36082424       0.70879036      -0.69551647 
Hf       4.99168173       2.48294195      -6.75637765      -0.37952791       1.09749561      -0.70483648 
Hf      10.21973893       3.47484982      -1.50082236      -0.29477543      -0.19101009      -0.18840356 
Hf      10.17322231       2.55669405      -6.82913673      -0.43194507       0.72511545       0.40928906 
Hf       5.05398734       8.65152628      -1.58621585      -0.67426127       0.13743612       1.14198483 
Hf       5.01064984       7.80538872      -6.81484890      -0.29179540      -0.83941666       0.69901339 
Hf      10.21970963       8.54539979      -1.56549662      -0.62113676       0.61112837       0.38892763 
Hf      10.11897915       7.64454408      -6.83808039      -0.41910675       0.01694635       0.21957647 
O       1.33942560       2.40814757      -2.74810768      -0.39363807      -0.22929061       0.57733521 
O       1.34252389       1.44762863      -7.96023979      -0.11517132      -0.03631315       0.04833931 
O       6.62404819       2.37742062      -2.66952876      -1.34588667      -0.20848705      -0.78631215 
O       6.51955518       1.45873690      -8.03576977      -0.11848435       0.22470742       0.10991603 
O       1.31603487       7.53389179      -2.76113303      -0.23309699      -0.37214867      -0.35404833 
O       1.16642428       6.69393292      -8.09382236       0.91844196      -0.07128209       0.11875384 
O       6.62547073       7.50045509      -2.81096607      -0.87657755      -0.12338931       0.85025987 
O       6.53257287       6.71064989      -7.93866918      -0.11957761      -0.96501387      -0.79277647 
O       3.94274643       1.54300218      -5.10002640       0.02726288      -1.19058499      -0.42299997 
O       3.93864040       0.54685568     -10.40588715      -0.04746144       0.72805268      -0.12883342 
O       9.07220026       1.43807684      -5.12886079       0.29898707      -0.38192154       0.74404426 
O       9.11293873       0.46269494     -10.32137761       0.14920174       0.24048692      -0.36988340 
O       3.98083237       6.58592682      -5.16961063      -0.97006941      -0.00414048       0.70671346 
O       3.94810876       5.72550951     -10.37347279       0.35425756      -0.29977306      -0.54166794 
O       9.08764366       6.55070062      -5.16880029       0.12215878       0.24469839       0.28349473 
O       9.00940256       5.58852777     -10.29952221       1.36720325       0.45237184      -0.77436958 
O       3.83226217       1.86605930      -2.54686743       0.41312142      -0.03353029       0.80827064 
O       3.88273022       1.03788158      -7.73242141      -0.60212630      -0.71716465       0.04737967 
O       8.98385386       1.88459777      -2.48858236       1.68764756       0.06735628       0.03159496 
O       9.04477195       1.02240984      -7.73667488       0.16172389      -0.44184434      -0.24724322 
O       3.84538075       7.07269188      -2.52425652       0.36214023      -0.32192768       0.07401427 
O       3.83791428       6.17051494      -7.79164996      -0.74894119      -0.32367982       0.37424391 
O       9.12233873       6.96817145      -2.49287406       0.19098517       0.22709996      -0.20772585 
O       8.96679653       6.06741418      -7.73181343       0.33971679       0.62287342      -0.49902341 
O       1.22990338       2.84692069      -0.10308120       0.33592721      -0.49223638       0.39894968 
O       1.16220749       1.93812486      -5.30600944       0.62368611      -0.25013760      -0.49667842 
O       6.49114687       2.78491357      -0.16826925      -0.58119585       0.09789368       0.49386598 
O       6.43516780       1.92628086      -5.36682600      -0.05165406      -0.28056966       0.48312639 
O       1.33152046       7.98108639      -0.16612293      -0.80552374      -0.55094085      -0.09683599 
O       1.18777904       7.00940250      -5.42865491       0.52629412       0.25274416       0.75723784 
O       6.53563686       7.90669183      -0.15394141      -1.12627472       0.33157201       0.11615911 
O       6.42411138       7.06045302      -5.36785925       0.76990988      -0.52197137       0.08898020 
O       3.49025106       3.77768177      -6.06982578       0.08318974      -0.30357547      -0.13717516 
O       8.66040824       4.59743510      -0.85140056       0.23846292       0.06049430       0.37326353 
O       8.67592137       3.69367818      -6.02729925      -0.74818919       1.02325023       0.13698463 
O       3.53001056       9.87518578      -0.74234327       0.51913899      -0.71860239      -0.44476638 
O       3.48117711       8.93597854      -5.89172609      -0.02478604       0.24918163      -0.95100697 
O       8.57899872       9.66287896      -0.86889621       0.66266405       0.36938494       0.07381346 
O       8.63234384       8.96146080      -6.10369226       0.95007661      -1.20889140       0.38591061 
O       0.92399969       0.06495802      -1.73912474      -0.86495245      -0.54480046      -0.42641565 
O       0.93208074      -0.92585155      -7.01988605      -0.64908261      -0.04938776      -0.30021531 
O       6.05906260       0.12555284      -1.82092976      -0.40466273      -0.85103703      -0.28956198 
O       6.03302442      -0.78318266      -7.07155197       0.23268424       0.31955387      -0.20779440 
O       1.03510571       5.15893506      -1.76719007      -1.11714100      -0.38982725      -0.86612512 
O       0.75883296       4.40892719      -7.02798757       0.72947752      -0.32757690      -0.05185213 
O       6.07906413       5.17367326      -1.81335505      -0.63942586      -0.14629712      -0.22761106 
O       5.99235847       4.30902086      -7.12413775       0.39187206      -0.45273477       0.01499799 
O       1.75336779      -0.26881724      -4.33283990       0.32769108      -1.11822765      -0.19611365 
O       1.78977434      -1.27497846      -9.62913704      -0.54278980       0.58892094      -0.06327394 
O       6.79225398      -0.51789998      -4.49421541      -0.00119279       1.07434918       0.45746261 
O       6.75874060      -1.38249512      -9.74092154       1.12371991      -0.11869777      -0.35825105 
O       1.80457656       4.70771076      -4.40277674      -1.09781865       1.26376133      -0.08175919 
O       1.66461534       3.82232495      -9.61005580       0.58131654       0.20438444      -0.83321802 
O       6.73990372       4.61162399      -4.50564971       0.53539361       0.63348634      -0.09224474 
O       6.83356777       3.75082983      -9.78922539      -0.15738753       0.49651863       0.29559677 
O       4.31895263       4.15226554      -3.38120034       0.14104754       0.67774540       0.39041975 
O       4.33819607       3.31323253      -8.79285113       0.19026700       0.11999358       0.45982674 
O       9.43471505       4.25837608      -3.38198389       1.04599716       0.45090668      -0.06029825 
O       9.32990513       3.39586435      -8.63083141       0.71685080      -0.30995214      -0.33274756 
O       4.27692430       9.37462642      -3.38952615       0.41081673       0.50249120       0.23532431 
O       4.38346690       8.41030346      -8.66861356      -0.85607151       0.75662892      -0.47809913 
O       9.52919972       9.37499712      -3.42848521      -0.07309099      -0.51300213       0.08549161 
O       9.42505332       8.47966370      -8.68343808       0.40405657      -0.00862592      -0.01791615 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.001455640158346268 -0.002143651221352287 0.0030886682565178527 -0.002143651221352287 -0.0013213046130600486 -0.0016474346122227477 0.0030886682565178527 -0.0016474346122227477 -0.0015847590815126194" pbc="T T T" energy=-961.53974566 free_energy=-961.53974566 config_type=crystal 
Hf       2.85250005       3.05728693      -4.13969456      -0.14471662      -0.05768581       0.12799258 
Hf       2.84162827       2.16601754      -9.43608778      -0.29928958       0.67134816       0.08826181 
Hf       8.00214180       2.89543111      -4.17198564       0.20433244       1.43482346      -0.13798597 
Hf       7.97716540       2.10719543      -9.43485249       0.26450116       0.46391757      -0.08965179 
Hf       2.78607718       8.13145672      -4.20017394       0.53890846      -0.18711874       0.41167372 
Hf       2.84601017       7.22662094      -9.40443754      -0.31619583       0.26351696      -1.26901359 
Hf       7.91429487       8.13317256      -4.21403240       0.96969668       0.81742084       1.03035103 
Hf       8.10678298       7.29639072      -9.43302854      -0.64106919      -0.05779145       0.32044997 
Hf       0.32729118       0.68792278      -3.65842629      -2.10825310       1.60260296      -0.61350493 
Hf       0.28968745      -0.05050458      -8.94887848      -0.73029779      -1.00979085      -1.24355533 
Hf       5.42330726       0.74347699      -3.67986428      -0.55880002       0.19615688      -0.14775096 
Hf       5.30616479      -0.10645551      -8.90640876       1.60258899       0.26230079      -0.37647452 
Hf       0.18332782       5.85391469      -3.74557201       0.09762573       1.25032725       0.14008590 
Hf       0.27391685       4.98892050      -8.96867923      -0.35104982       0.48778415      -0.89565948 
Hf       5.41178557       5.97502445      -3.66563767       0.71350360      -0.48302234      -0.32047239 
Hf       5.46727899       5.08542904      -8.90894822      -0.42925370      -0.68577545      -0.19044339 
Hf       2.39733313       1.29466356      -1.07669113      -0.00982738      -0.06868574      -0.41413306 
Hf       2.35168690       0.35119566      -6.31683450       0.21978155       0.52280756       0.10314687 
Hf       7.58475929       1.24597638      -1.09203291      -0.32238530      -0.40106085      -0.11655113 
Hf       7.56993119       0.43686409      -6.39357509      -0.13208416      -1.18546846       0.81007411 
Hf       2.28728089       6.39007380      -1.17496789       1.36276391      -0.59922013       0.49370734 
Hf       2.39637878       5.48762955      -6.38394658       0.15948596      -0.68920636       0.57089473 
Hf       7.56940233       6.36584766      -1.03427843       0.53508783       0.79596646      -0.56094917 
Hf       7.62918237       5.48172249      -6.30591200      -1.21490390      -0.54470534       0.06185109 
Hf       4.94680729       3.53707843      -1.52950660      -0.42154749      -0.37215320       0.49804050 
Hf       4.92239093       2.53867113      -6.81175963       1.14021864       1.17818676       1.41789117 
Hf      10.13222813       3.45349520      -1.56661609       0.07160963      -0.34115199       0.11741879 
Hf      10.16161115       2.53988934      -6.82665912       0.17030906       0.68453834       0.24219064 
Hf       4.97724857       8.57116900      -1.49895777      -0.57182632       0.16943811      -0.22042813 
Hf       4.90573331       7.76040387      -6.76890737       1.09915376      -1.20768491       0.99711094 
Hf      10.16770994       8.60612702      -1.58573860      -0.17543357      -1.03757939      -0.00955348 
Hf      10.16078377       7.73427136      -6.70720079       0.48017897      -0.06623138      -1.39829935 
O       1.37426312       2.36937604      -2.73786310      -0.16286202      -0.30538456       0.09831558 
O       1.39838481       1.47681898      -7.99372259      -0.25239895       0.09014452       0.12321106 
O       6.56935171       2.28996425      -2.82503612      -0.02648583       0.13086210       1.01193277 
O       6.52737741       1.50862268      -7.95929821      -0.15949869      -0.64097698      -0.65227384 
O       1.31549229       7.52814622      -2.85835731      -0.23318847      -0.42792941       0.88188459 
O       1.37455010       6.61862633      -8.14889194      -0.01204261      -0.02856904       1.68766190 
O       6.57550515       7.46668877      -2.68961659      -0.52090920       0.45752166       0.01033171 
O       6.55890063       6.62360509      -7.88800932       0.53250765       0.23756037      -0.78256262 
O       3.83694164       1.34046058      -5.01078550       0.32896471       0.60536650      -0.63618356 
O       3.87122951       0.62205547     -10.33433113       0.56755598      -0.50056523      -0.15556883 
O       9.15221093       1.42793459      -5.18360916       0.03306214      -0.22994904      -0.38897017 
O       9.10754482       0.51510337     -10.42032777      -0.02261426       0.15369944      -0.06484381 
O       3.95223859       6.59633352      -5.06594066      -0.37064716       0.02156708      -0.89598798 
O       3.91745105       5.60544382     -10.41220137       0.24857425       0.79933863       0.41120894 
O       9.08196111       6.56043899      -5.12540348       0.27077495       0.47215954      -0.26686046 
O       9.09050505       5.65758970     -10.39671920       0.94508481       0.27282267       0.50870829 
O       3.91615985       1.91616040      -2.47997818      -0.22265920       0.09381315       0.24098667 
O       3.90660120       0.99037609      -7.66809210      -0.65528759      -0.94103578      -0.60493815 
O       9.06877333       1.81249031      -2.53130987       0.09779148       0.65637687       0.05350691 
O       9.01826714       1.02008752      -7.89525136       0.29644853      -0.19852855       1.10531836 
O       3.81861265       7.00603699      -2.53432932       0.28277811       0.15466114       0.38131149 
O       3.87338373       6.07410720      -7.73401614       0.21745280       0.78850075      -0.44135370 
O       9.08874587       6.96451626      -2.52247468      -0.22995975       0.22192119       0.32317497 
O       9.21394206       6.03612249      -7.66112496      -0.90865302       0.62934491      -0.27321115 
O       1.18389827       2.82592873      -0.13437378       0.40361186      -0.00831999       0.19611680 
O       1.28081863       1.97222812      -5.35403849      -0.13052479      -0.31803873      -0.25282270 
O       6.39027539       2.82503211      -0.16089689       0.41779454      -0.05126230       0.44874655 
O       6.42701651       1.89665352      -5.39600702      -0.12327851       0.36482404       0.08197260 
O       1.32873493       7.86212203      -0.10523886      -1.02774851       0.85414339      -0.90203586 
O       1.27971663       6.97942693      -5.43403247      -0.59477086       0.72597381      -0.31568598 
O       6.43647843       7.93704404      -0.10784227      -0.12346800       0.60364594       0.46657300 
O       6.39319361       7.13825529      -5.29269218       0.39890302      -0.43372220      -0.32263604 
O       3.62655054       3.85399098      -5.95413590      -0.84508363      -0.42328045       0.04138638 
O       8.62077186       4.66716724      -0.78108203       0.72039535      -0.82504747      -0.58588335 
O       8.54067058       3.70885781      -6.10295964       1.22560488      -0.65433783      -0.52746817 
O       3.51725481       9.86765604      -0.77864536       0.64932080      -0.78926963       0.02328522 
O       3.35826824       8.83624160      -6.14420037      -0.48631679       0.50768413       0.75959041 
O       8.69121484       9.72073683      -0.84116784      -0.62752650       1.15213550       0.51940066 
O       8.75197521       8.94966214      -6.03851524      -1.01589906       0.22199135      -0.10069544 
O       0.94749194      -0.00023824      -1.85352483       0.19381400      -0.11399311       0.11466630 
O       0.82660241      -0.73989771      -7.05999598      -0.17758608      -0.91882926      -0.21147687 
O       6.11773068      -0.04799600      -1.77066115      -0.10168898       0.51983091      -0.41199100 
O       5.99534339      -0.85450178      -6.93603111       0.72510967       1.00499206      -0.83766852 
O       0.94474755       5.06888052      -1.85876473      -0.36106215       0.64601104      -0.34826387 
O       0.98682087       4.22703762      -7.14663305      -0.15611762      -0.12596566       0.43205787 
O       6.07055521       5.16837261      -1.71129724      -0.41921767       0.44567132      -0.20093971 
O       6.03484636       4.23713589      -7.11932995       1.02895429       0.82614531       0.96276561 
O       1.54871389      -0.52068659      -4.53334479       1.40299015      -0.49718460      -0.47470774 
O       1.71698659      -1.30468154      -9.82210755      -0.30316479      -0.06296975       1.48741066 
O       6.94142880      -0.31022762      -4.43805440       0.58643865      -1.16006414      -0.25002034 
O       6.98222504      -1.21006345      -9.67727949      -0.45265000      -0.64592850       0.61514029 
O       1.71527271       4.78766818      -4.45259519       0.95767906      -1.03952628      -0.39511305 
O       1.70669386       3.76914285      -9.81241478       0.31544351       0.08359911      -0.03750028 
O       7.05120392       4.80691510      -4.28850706      -0.63674326      -0.08392385      -0.84483385 
O       7.01934946       3.96975579      -9.56449922       0.17551158      -1.17486566      -0.41615778 
O       4.37287857       4.25072547      -3.39863394      -0.43934589      -0.29503821       0.11895786 
O       4.31289675       3.28517490      -8.62057129      -0.39231213       0.42009821      -1.21033106 
O       9.57063154       4.19607708      -3.53708342      -0.91452006      -1.70500598       0.73446811 
O       9.63526312       3.26856958      -8.78704483      -0.84310513      -0.67792780       0.68764882 
O       4.28212734       9.34004799      -3.46245576      -0.06470530      -0.41049959       0.31401487 
O       4.22841450       8.52553504      -8.56520454      -0.01575614      -0.44510333      -1.04317248 
O       9.45936997       9.33898613      -3.41176408       0.17217199       0.05292112       0.07722974 
O       9.62478794       8.39957033      -8.72419705      -0.30284931       0.15183339       0.46762796 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0021105329375681278 -0.0006884751316925471 -0.002500965348002162 -0.0006884751316925471 -0.002861776124102085 0.0035297432733578434 -0.002500965348002162 0.0035297432733578434 -0.004907299961769609" pbc="T T T" energy=-961.74197082 free_energy=-961.74197082 config_type=crystal 
Hf       2.79099366       3.01799118      -4.15814682      -0.00196278      -0.44983632       0.03569488 
Hf       2.81479326       2.16725103      -9.37467846      -0.32010654      -1.09021749      -0.31483270 
Hf       8.01768558       3.06027796      -4.13687389      -0.10704879       0.22872708      -0.51426205 
Hf       8.03223075       2.17163759      -9.37086959      -0.12387249       0.00610062      -0.75649793 
Hf       2.80748036       8.19119950      -4.16575596      -0.22857521      -0.58482151       0.39733338 
Hf       2.79822718       7.33012652      -9.35708851      -0.16311888       0.43609219      -0.63836347 
Hf       8.07104442       8.13355449      -4.06072984      -0.96910423       0.39142067      -1.46461293 
Hf       7.94053348       7.19678799      -9.45347475      -0.15218441       1.45350690       0.53467627 
Hf       0.15875238       0.81058876      -3.72817170       0.45746610      -0.65472154      -0.37342909 
Hf       0.20952788      -0.08430213      -8.98751665      -0.02844965      -0.67910921       0.52003030 
Hf       5.41161205       0.80396394      -3.71783471      -0.36491960      -0.17918330      -0.68581292 
Hf       5.44924196      -0.05443082      -8.97620920       0.32305758      -1.07591818      -0.50580047 
Hf       0.26185393       5.94895501      -3.68236657      -0.02218334       0.36604792      -0.06512942 
Hf       0.13948711       5.05032611      -9.01481680       2.07941695       0.52899588       0.50252975 
Hf       5.41197706       5.89118578      -3.67653517      -0.04756997       1.14331652      -0.23466109 
Hf       5.31380488       5.00822967      -9.07355728       1.16757231       0.09549855       0.79727145 
Hf       2.30539824       1.20188930      -1.11368154       1.08332414       0.65367550      -0.00892244 
Hf       2.43051776       0.28968401      -6.37290227      -0.99356108       0.11309919       0.33756861 
Hf       7.59794343       1.22961129      -1.15128130      -1.51088873      -0.31560063       0.91579922 
Hf       7.59758829       0.28383882      -6.31006541      -0.32606003      -0.18690188       0.10996882 
Hf       2.45707951       6.30801700      -0.98981129      -0.54996916       1.33133970      -1.07124526 
Hf       2.41256863       5.47326794      -6.32068391      -0.45694415      -0.81209530      -0.18360267 
Hf       7.58457808       6.35578046      -1.11930849      -0.58536313       1.13454324      -0.22526516 
Hf       7.59169803       5.48310884      -6.34270259      -0.71588956      -0.27436232      -0.35965171 
Hf       4.90809357       3.48565529      -1.50396477       0.52802257      -0.24486027      -0.17656645 
Hf       5.03593150       2.55469386      -6.79766322      -0.01117370      -0.43689360       0.31416998 
Hf      10.17099162       3.47892006      -1.50709846       0.86121181       0.97108875       0.14200314 
Hf      10.18362892       2.55522560      -6.79974507       0.16625574       0.26207429       0.67220207 
Hf       4.96282591       8.58677593      -1.57446444      -0.54350596       0.93357069       0.42501732 
Hf       4.96054347       7.65606439      -6.79781390       1.05013020       0.63860512      -0.29157077 
Hf      10.17387409       8.67454324      -1.48437047       0.63235690      -1.44550605      -0.35615166 
Hf      10.23746914       7.67497075      -6.81919509      -0.70382135       1.20054266       0.10923457 
O       1.29009976       2.36663258      -2.77999775      -0.06250660      -0.10385131       0.25391950 
O       1.23852192       1.43347665      -7.98004411       1.59357397       0.57600148      -0.20400533 
O       6.49833726       2.38572502      -2.85023984       0.59582927       0.24095792       0.87370220 
O       6.60699647       1.44265636      -8.02646940      -0.66133778       0.24556010       0.19294130 
O       1.31394299       7.57697542      -2.73819019       0.28802187      -0.21605622      -0.14173226 
O       1.37242269       6.48465409      -8.00753621      -0.83446768       1.03178017       0.58778143 
O       6.46887610       7.55878375      -2.76751738       0.69612454      -0.39178946      -0.25348480 
O       6.39975134       6.55670692      -8.11642119       0.60653937      -0.07054278       0.31145708 
O       3.85658990       1.35674236      -5.13731933       0.20519915       0.37389277       0.01475166 
O       3.96722670       0.60755146     -10.46720648      -0.38177234       0.54044576       0.71545403 
O       9.06473078       1.51832408      -5.04017695       0.10314307      -0.59215984      -0.13469519 
O       9.21639583       0.57618513     -10.35012306      -1.56072880       0.65109178      -0.58517801 
O       3.94759704       6.57615626      -5.04190818      -0.14518514      -0.18632890      -0.70945630 
O       3.84205544       5.81823071     -10.33188407       1.04936120      -1.03178080      -0.25364914 
O       9.12200904       6.57590241      -5.06863290       0.33849342       0.08507220      -0.78823379 
O       9.09508072       5.67459264     -10.35604308       0.21839669       0.14015323      -0.32756621 
O       3.77514952       1.86660578      -2.53277544       0.42401624       0.76710672      -0.09366147 
O       3.91435308       0.92451346      -7.77595810      -0.23108566       0.59494346      -0.07584156 
O       9.10722480       1.93567816      -2.39014526      -0.63405720      -0.28960683      -0.81702720 
O       9.06748940       1.00926232      -7.69323039      -0.25252536       0.10261537      -0.43117167 
O       3.91379118       6.95560579      -2.42148236      -0.29373052       0.24332200       0.03165509 
O       3.79767194       6.17908803      -7.76148829       0.54800065      -0.44495927       0.49199681 
O       9.07902263       7.05260761      -2.51521993      -0.12574617      -0.30438908       0.58896118 
O       8.99278754       6.19067222      -7.76865673       0.27787427      -0.50487908       0.14078643 
O       1.26389148       2.84178930      -0.12150857       0.22668053       0.10038735      -0.21823208 
O       1.13819146       1.82009644      -5.34330406       1.23033856       0.37700039      -0.34672558 
O       6.49060564       2.88107593      -0.19335725       0.28504787      -0.37823582       0.23811441 
O       6.45742225       1.88655107      -5.35529005      -0.37607071       0.21564591      -0.53051384 
O       1.31857810       8.01397395      -0.05980283      -1.19158089      -0.64127753      -0.51762356 
O       1.29510726       6.99110887      -5.38960775      -0.32932268       0.29879018      -0.11713020 
O       6.42694274       7.85694940      -0.19489191      -0.47538986       0.99787840       0.20301108 
O       6.47306890       7.06714132      -5.44996774       0.05489776      -0.07292791       0.17841036 
O       3.60716515       3.73482450      -6.03632597      -1.10428415       0.76219603       0.75192394 
O       8.70920127       4.81260968      -0.75268771       1.64269587      -2.35193484      -0.29320201 
O       8.68256201       3.75379996      -6.10799572      -0.44722617       0.48358634       0.37114071 
O       3.42953797       9.81030143      -0.80664990       0.27586402       0.11194893      -0.06809664 
O       3.48441701       8.83306657      -6.11801307      -0.38164590       0.54614329       0.62298397 
O       8.54471646       9.68352636      -0.90004315      -0.33703100       0.82602502       0.44784681 
O       8.83841789       9.02224074      -5.99125757       0.13960172      -1.14815585       0.23269320 
O       0.83166623       0.06190175      -1.80925479      -0.20915185       0.08641637      -0.52314214 
O       0.94500886      -0.89178326      -7.14513157      -0.14223526      -0.83103035      -0.15972835 
O       5.93933659       0.14503848      -1.85867610       1.04206419      -0.40690508       1.04460138 
O       6.18737267      -0.93818295      -7.19571467       0.08641126       0.32216786       0.93348771 
O       1.06918972       5.15027933      -1.83255348      -1.03452844      -0.43075263      -0.20516628 
O       0.93814888       4.23478567      -7.08046162       0.09864552       0.17970201       0.11987797 
O       6.14463843       5.16109133      -1.78841753      -1.17991514      -0.60302059      -0.74499504 
O       6.17174380       4.15362275      -7.17628019       0.29397276       1.19139353       0.35157042 
O       1.57708376      -0.55571112      -4.56231475       0.00533585       0.96552912       0.41309778 
O       1.63050411      -1.27902203      -9.78121071       0.45164974      -0.43281297       0.60695542 
O       6.91576404      -0.41794923      -4.37716854       0.06450089      -0.15366241      -0.62382941 
O       6.96762834      -1.25981933      -9.73778554      -0.19222919      -0.13995371      -0.40303093 
O       1.67002484       4.72996025      -4.38047360       1.26914260      -0.75793913      -1.16304689 
O       1.68645242       3.79700607      -9.75991836       0.02576937       0.07366357       0.61626302 
O       6.94671849       4.83895418      -4.41250102       0.46652274      -1.08502116      -0.38120380 
O       6.85728767       3.85082920      -9.76366046       0.26602124      -0.65939981       0.76100842 
O       4.25682853       4.24840524      -3.39468131      -0.07897167      -0.47470993       0.59440936 
O       4.21525914       3.37190321      -8.60220156      -0.14309498      -0.47433715      -0.41190311 
O       9.59327937       4.18222831      -3.50946530      -0.44172267       0.12321929       1.14662470 
O       9.61290123       3.33817283      -8.75233567      -1.32003429      -1.25008405       0.43841735 
O       4.25915980       9.37602579      -3.43460138      -0.15470391      -0.46516300       0.02137559 
O       4.31777520       8.52950518      -8.64341783      -0.43789802      -0.20537767      -0.59634553 
O       9.41583225       9.39535242      -3.33010449       0.71420471       0.60685639      -0.16211610 
O       9.48751957       8.43325418      -8.75479407       0.15285278      -0.23612242       0.35723546 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00037650612433652613 -0.0007010229492920585 -0.0007525106622751688 -0.0007010229492920585 -0.0007910357095132068 0.0010117399660910095 -0.0007525106622751688 0.0010117399660910095 -0.004966567079244201" pbc="T T T" energy=-961.65944417 free_energy=-961.65944417 config_type=crystal 
Hf       2.77996364       3.11236287      -4.21303988      -0.19539975      -0.85754255       0.81559618 
Hf       2.84300914       2.14113871      -9.43915962       0.12125086       0.07710231      -0.33499036 
Hf       7.98242081       3.02510646      -4.14074577       0.37250935       0.40835020      -0.40997531 
Hf       8.03486895       2.03664254      -9.40514266       1.32381333       0.37725131       0.23460479 
Hf       2.81275312       8.13219341      -4.14758869      -0.73486609       1.19114977      -0.83450579 
Hf       2.78538914       7.26609565      -9.40799630       0.72564546      -0.92363989      -0.71196074 
Hf       8.01015563       8.08115435      -4.18369862      -0.25676306       1.66236776       0.60105255 
Hf       8.04393469       7.31675168      -9.42555947      -0.32638846      -0.22587281      -0.19254724 
Hf       0.19437260       0.86131292      -3.70584441      -0.04123816      -1.01602674      -0.99424821 
Hf       0.30266223      -0.07338674      -8.94619789      -1.29772389       0.63873973       0.26183210 
Hf       5.40856416       0.75118591      -3.64202122      -0.50451537       0.49921306      -0.52082889 
Hf       5.43215106      -0.13770618      -8.91210669      -0.76039268       0.24721755      -0.84526676 
Hf       0.18796397       5.99355434      -3.74067159       0.53895409      -0.23733739      -0.29092609 
Hf       0.23876264       5.00018357      -9.00448843       0.41688257      -0.51842401       0.16655946 
Hf       5.41707901       5.91491181      -3.62096009       0.08748361      -0.09779323      -0.35868128 
Hf       5.51787650       4.88789248      -8.92014605      -0.76898500       1.72966897      -1.15730160 
Hf       2.32850989       1.19692559      -1.10287382       0.41102146       1.15767913      -0.80013838 
Hf       2.45016362       0.36634692      -6.39359882      -1.07454008      -0.07759897       1.56513876 
Hf       7.55471606       1.28717138      -1.04892423       0.11562734       0.03536299      -1.35543091 
Hf       7.51855025       0.28688311      -6.35728475       0.87069704       0.42630471       0.63072299 
Hf       2.42700220       6.33255091      -1.19836404      -0.17042002       0.23085301       1.62860527 
Hf       2.36473493       5.49636128      -6.39828880      -0.30717184       0.31553460       0.75639133 
Hf       7.58497790       6.40693856      -0.99955499      -0.15900325      -0.87474753      -0.96173210 
Hf       7.54179739       5.55042763      -6.36480307       0.86670881      -1.13518886       0.78331858 
Hf       4.89375154       3.47043219      -1.50705656       0.59063402       0.30259693      -0.15282078 
Hf       4.99696758       2.51672657      -6.75274466      -0.44265200       0.07671657       0.09700068 
Hf      10.23483987       3.52302223      -1.56137651      -1.07966772      -0.15946801       0.09131228 
Hf      10.23562309       2.60635502      -6.72086499      -1.90854568      -0.12888423      -0.68128205 
Hf       4.88199035       8.57263216      -1.54192249       0.89789969       0.26768687       1.22728721 
Hf       4.88387348       7.65571095      -6.78875463       0.64191086      -0.13243638       0.29580002 
Hf      10.18144612       8.57046342      -1.52495932       0.44244890       0.97841936      -0.80061124 
Hf      10.14880574       7.72332351      -6.85756349       0.74084588       0.33410169       0.84340426 
O       1.28421677       2.40417481      -2.75581595       0.08847751       0.41842100       0.08308129 
O       1.33166842       1.49299254      -7.95102081       0.69269051       0.05095688      -0.24955642 
O       6.55885574       2.38513318      -2.68676893      -0.93709601      -0.24590913      -0.34675822 
O       6.57006261       1.43600493      -7.96286536      -0.55728568      -0.41572972       0.34742874 
O       1.36707096       7.61114886      -2.76583267      -0.65071689      -0.46602902       0.09211235 
O       1.32169644       6.62127493      -8.02852699      -0.02985421       0.06998483       0.15311298 
O       6.49172384       7.48584387      -2.76121955       0.28754032       0.31403336       1.01281196 
O       6.58813954       6.59475815      -7.98642815      -0.57190902       0.04188138       0.34793401 
O       3.90912313       1.44588472      -5.21312064       0.53397457       0.23876190       0.26038192 
O       3.94106674       2.48633718      -0.00122090      -0.27829051      -1.07240287       1.06689879 
O       9.01160613       1.44943990      -5.18443609       1.11686352      -0.07078121       0.80375176 
O       9.19745838       0.53373562     -10.35615638      -0.38572544      -0.05986225      -0.31556708 
O       3.90004024       6.57101260      -5.07870528       0.42337776      -0.09138639      -0.97264454 
O       3.90074543       5.68571089     -10.44755243       0.42784056      -0.06914045       0.02399644 
O       9.17026750       6.62560754      -5.14952700      -0.80810480      -0.17753826      -0.33248280 
O       9.20366003       5.76341209     -10.34356114      -0.56393228      -0.19304393      -0.39955419 
O       3.77804852       1.84304213      -2.63263821       0.22773615       0.38755901       0.81019074 
O       3.87724051       0.95772959      -7.82501148       0.45574540       0.05829523       0.09736989 
O       8.96984899       1.91512573      -2.49700268       1.19312152       0.28106808      -0.27406961 
O       9.13405773       1.02862294      -7.72733503      -0.78233040      -0.50963110      -0.09748569 
O       3.81402138       6.97325482      -2.56390799       0.63294537       0.36004106       0.28450654 
O       3.83765837       6.03950983      -7.84521681       0.17608453       0.61894773       0.84590013 
O       9.04645342       6.96981827      -2.42458728       0.18323436       0.56161297      -0.55847516 
O       9.07138909       6.14209357      -7.78546974      -0.06756719       0.13578914      -0.02112925 
O       1.28295934       2.86941942      -0.15333017       0.28929622      -0.51962269       0.53884080 
O       1.27888801       2.09436210      -5.32873471      -0.48566915      -0.90381438      -0.26213959 
O       6.43134615       2.83695246      -0.07632613       0.30223166       0.16362093       0.17901233 
O       6.46416410       1.85855511      -5.32812168      -0.63624746       0.63920573      -0.19795869 
O       1.33943309       7.95562288      -0.12906752      -0.68850613      -0.25091811      -0.29844784 
O       1.25673423       7.05764113      -5.38013181      -0.04004130       0.51720403      -0.51286349 
O       6.46470170       7.93545464      -0.05045489       0.10774973       0.17926166      -0.43361297 
O       6.46412129       7.01398457      -5.23558465      -0.57874755       0.47455204      -1.78069946 
O       3.41201754       3.76598562      -6.10139747       0.97682276      -0.15043523       0.19812578 
O       8.68061404       4.64220251      -0.73670214       0.63223388       0.12745884      -0.68299932 
O       8.68747506       3.84390480      -6.02905757       0.07090979      -0.09752504      -0.05110697 
O       3.47475851       9.89681988      -0.73765959       0.47753543      -0.87710144      -0.15462166 
O       3.54946317       8.96284318      -6.00245266       0.01529070      -0.59395063      -0.23015835 
O       8.78149123       9.88503788      -0.85427761      -0.81219285      -0.36422544       0.69408764 
O       8.65023105       8.89590961      -6.11446754      -0.18249303      -0.21680630       0.35392838 
O       0.93115808       0.07164036      -1.96138548      -0.36097115      -0.90516244       1.18544934 
O       0.97485467      -0.87645064      -7.04521588      -0.65497850      -0.38660170      -0.94320402 
O       5.95295203       0.05375780      -1.79978105       1.28117028       0.15928453       0.64431516 
O       6.00090989      -0.98065361      -7.08460504       1.15211129       1.17480784      -0.16729769 
O       0.91331358       5.24580585      -1.94392741      -0.01565973      -0.54271828       0.93457385 
O       0.87267693       4.32599232      -7.06020725       0.23378270       0.26569933      -0.54254353 
O       6.09839268       5.16397730      -1.69599884      -0.42354292       0.27676330      -0.63973137 
O       6.13023477       4.21080610      -7.08647772       0.11592314       0.35779484       0.43472874 
O       1.69161681      -0.31250340      -4.52163370       0.25291032      -0.32578815       0.18920725 
O       1.69057539      -1.30304669      -9.68796520       0.13593951       0.08150262      -0.35334089 
O       6.78460309      -0.47262397      -4.48929589       0.90063402      -0.66967101      -0.07627061 
O       6.92360071      -1.19769669      -9.75692296       0.25770206      -1.67140248       1.20393901 
O       1.69344477       4.83890044      -4.43894359       0.52181733      -0.73311129      -0.40643648 
O       1.74768554       3.73965721      -9.85746124      -0.61000047       1.12303425       0.60547732 
O       6.86511634       4.77115599      -4.44916906       0.11173514      -1.00104105       0.19021460 
O       7.02468883       3.79495613      -9.69720267      -0.66283515       0.33522057       1.02961704 
O       4.15743445       4.29515052      -3.23295014       0.30406055       0.21792415      -0.75287495 
O       4.35139383       3.31005842      -8.63557242      -0.51479356      -0.74167939      -0.31981435 
O       9.52651985       4.24283060      -3.42963870      -0.43369094      -0.19573146      -0.15834946 
O       9.59167033       3.29469858      -8.68744962      -0.29224711       0.13498485      -0.11289786 
O       4.25580426       9.32948909      -3.30769163      -0.52629849       0.16265635      -1.04087357 
O       4.31041741       8.41943466      -8.67415367      -0.17527962       0.22453315       0.08123915 
O       9.53288453       9.31256353      -3.44897889      -0.54207168      -0.17181611      -0.04846426 
O       9.45505239       8.53494263      -8.70798404       0.59427541       0.01956128       0.52033647 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.001948672174757526 -0.0017050795926830693 1.191514702696628e-05 -0.0017050795926830693 -0.00014986606150831682 0.001352462881974916 1.191514702696628e-05 0.001352462881974916 0.004315738508621734" pbc="T T T" energy=-961.78423128 free_energy=-961.78423128 config_type=crystal 
Hf       2.79490634       3.05827564      -4.15180835       0.40767694      -1.43205419      -0.99058035 
Hf       2.88672402       2.10774064      -9.38092904      -1.16860680       0.45156541      -0.39727952 
Hf       7.98620028       3.04152447      -4.20167374       1.05623951      -0.84484678       0.63638344 
Hf       8.01652924       2.08755961      -9.39511239      -0.26891787       0.23588031      -0.88441421 
Hf       2.81966360       8.11781890      -4.19211505      -0.05499424       0.64763989      -0.08148502 
Hf       2.72521406       7.29313686      -9.44923115       1.51951156      -0.62629645       0.86817112 
Hf       8.02709025       8.12257699      -4.10411059       0.26874619       0.86977822      -0.93753789 
Hf       7.99537699       7.26789855      -9.45077263       0.83180719       0.27141933       0.58005540 
Hf       0.23509040       0.78193728      -3.69357069      -0.59184410       0.20992570      -1.04837141 
Hf       0.23170327      -0.08846383      -9.04267380       0.15519212       0.17594569       1.23485600 
Hf       5.32861115       0.77792500      -3.71050163       1.49764669       0.04060115      -0.39444237 
Hf       5.47727352      -0.18985204      -8.97058771      -0.59606056       0.68023619       0.07244046 
Hf       0.31409249       5.89548839      -3.64720662      -1.49838748       0.49767757      -0.80104202 
Hf       0.16810105       5.06105905      -8.95923206       1.88820328      -0.49784278       0.37720933 
Hf       5.38918906       5.85909274      -3.65030366       0.97486621       1.09349859      -0.69287221 
Hf       5.43656476       5.04938198      -8.92282401      -0.75365823      -0.39103979      -0.47255157 
Hf       2.35562981       1.26716508      -1.13336510      -0.13621846      -0.35662850       0.83181173 
Hf       2.44871896       0.30308733      -6.35677589      -1.74453849       1.13898956      -0.09096414 
Hf       7.46778358       1.26424240      -1.09245346       0.91643752       0.20114257      -1.14254211 
Hf       7.62801419       0.37002999      -6.34443645       0.02606907      -0.41410719       0.60646592 
Hf       2.37353769       6.39009865      -1.11574911       0.56260733      -0.17084323       1.75508900 
Hf       2.37999567       5.48986072      -6.28670927       0.78132848      -0.11386483      -1.83519703 
Hf       7.54557624       6.41237936      -1.04580377       0.22294916      -1.39388245      -0.62025593 
Hf       7.64653323       5.50673084      -6.34107048      -0.60490353       0.60259210       0.26804261 
Hf       4.83526685       3.44252271      -1.48236359       1.47154420       1.22278290      -0.28403683 
Hf       5.03289078       2.49635481      -6.81103068      -0.36339087       1.12598585       0.28165135 
Hf      10.14620650       3.42294319      -1.52782483      -0.48925957       0.48727031      -0.70173671 
Hf      10.14933575       2.56640482      -6.85839262       1.27959754      -0.26286939       1.10949133 
Hf       4.97799532       8.58153727      -1.55397475      -1.08075810       0.38957365       0.79259256 
Hf       5.04626164       7.71003175      -6.82979522      -0.73941075       0.14394550       0.47637649 
Hf      10.15756839       8.64776952      -1.47753175      -0.47660909      -0.01983231      -1.04321158 
Hf      10.13717474       7.75746635      -6.78309691       0.73857824       0.60892686      -0.19727370 
O       1.22547243       2.39583523      -2.74615352       1.30754596      -0.30875327      -0.24413455 
O       1.36986470       1.45711077      -8.02898355      -0.12847034       0.24101677      -0.17761363 
O       6.48344402       2.37966434      -2.74045328       0.14267549      -0.11026099      -0.57612700 
O       6.57023894       1.46996204      -8.02082281       0.22043886       0.01655960       0.14226430 
O       1.39109820       7.52496518      -2.69596955      -0.69071384       0.14504124      -0.10434844 
O       1.32692005       6.60264005      -8.07105740      -0.17886336       0.14274797       1.17465297 
O       6.59061223       7.46557389      -2.72803728      -1.06890603       0.25127901       0.67617757 
O       6.64652552       6.64823133      -7.95920675      -0.44709678      -0.18843389      -0.17252538 
O       3.90379654       1.38159894      -5.14554790       0.53688699       0.57222741       0.43501016 
O       3.90521077       2.37558734      -0.01337796      -0.19507922      -0.65328683       1.41015217 
O       9.22890076       1.49712878      -5.19440282      -0.58600085       0.10350077       0.08146210 
O       9.08958873       0.52180826     -10.39155123      -0.28266966       0.24291936      -0.45267787 
O       3.95065335       6.62159325      -5.24570658       0.02244995      -0.25724042       1.04368591 
O       3.87509824       5.70319992     -10.39962576       0.88527874      -0.52647849      -0.23817879 
O       9.12788122       6.53689951      -5.13791513       0.03366670       0.64980629       0.34215890 
O       9.16707622       5.77467727     -10.36726138      -0.52054062      -0.55612230      -0.38057247 
O       3.77627895       1.95183039      -2.55855511      -0.12355390      -0.57745907       0.02343586 
O       3.93393993       0.93042873      -7.71361549       0.01493052       0.02311850      -0.79993240 
O       9.05318279       1.89065820      -2.60011874      -0.79762797       0.10968687       0.95986871 
O       9.10246968       0.89425823      -7.75501783      -0.24400137       0.94885759      -0.56507758 
O       3.80004176       6.97403493      -2.54171522       1.04545025       0.17150841      -0.22782900 
O       3.86562083       6.18559427      -7.81421488       0.11428087      -0.45128291       0.29044846 
O       9.05853411       7.02691097      -2.48669488       0.43692261       0.21046756       0.17590557 
O       9.18832375       6.12727901      -7.72724945      -1.12143026       0.04180582      -0.23225249 
O       1.20736599       2.83564400      -0.15537443       0.38563929      -0.40776267       0.04899437 
O       1.32987225       1.96165991      -5.44886633       0.04354820      -0.08437563       0.76144416 
O       6.39943360       2.77883023      -0.11709496       0.14248655       0.14885833       0.44485783 
O       6.45750964       1.89634055      -5.42351110       0.05944563       0.72748837       0.42925894 
O       1.26666559       7.96258541      -0.06586534      -0.72345442      -0.39442637      -0.71542930 
O       1.22422622       7.08185911      -5.35212150       0.53318131      -0.29581066      -0.05487501 
O       6.42269727       7.95054469      -0.07386006      -0.01035929       0.01926328      -0.18931227 
O       6.45521297       7.19138695      -5.35194866       0.35111649      -0.87660660       0.16310733 
O       3.69161643       3.83222060      -5.97111408      -0.98030519      -0.10120096      -0.10833052 
O       8.67631505       4.69631240      -0.88183251      -0.06986304      -0.26180668       0.61628757 
O       8.60754948       3.79000077      -6.14429141       0.53492033      -1.04510203       0.28713587 
O       3.36326243       9.72413592      -0.80019887       0.43733393       0.91203472      -1.36634567 
O       3.50296941       8.97570715      -6.07266461       0.96153641      -1.65992008       0.19962972 
O       8.49340929       9.81366931      -0.89970587       1.25571789      -1.09774225      -0.00734724 
O       8.72061449       8.97270619      -5.98710469       0.25257672      -0.79594832      -0.20370464 
O       0.81126301       0.07471641      -1.71413629       0.08028593       0.30138472      -0.17449017 
O       0.90270727      -0.81586503      -7.13352653      -0.30989655      -0.89446716       0.48977776 
O       5.90662337       0.13898554      -1.72976630      -0.40390347      -0.77021210      -0.37466119 
O       6.15625353      -0.83841405      -7.08516892      -0.24979473      -0.22539466      -0.32893183 
O       0.99265481       5.14264757      -1.87965501      -0.22764679      -0.40191522       0.69332885 
O       0.86264780       4.30847300      -6.99099989      -0.05821560      -0.05371778      -0.47614787 
O       5.96451466       5.17670804      -1.72651564       0.53941192       0.74131189      -0.01106083 
O       6.07407772       4.36154264      -7.08610757      -0.00313673      -0.52582651       0.13585510 
O       1.71211946      -0.44548249      -4.37135794       0.33915358       0.26010624      -0.44927435 
O       1.79717306      -1.20999578      -9.62339060       0.04618046       0.06254272      -0.84018483 
O       6.98815561      -0.27772009      -4.42349670      -0.49385062      -0.78012724       0.75559733 
O       6.90348437      -1.40564572      -9.72414633      -0.69523207       1.49624650       0.01862341 
O       1.82373585       4.73523792      -4.45652199      -0.86192209       1.06457551       0.37402432 
O       1.78638409       3.79228905      -9.61499265      -0.43184778       0.72303138      -0.84982585 
O       7.01603517       4.75765622      -4.39997224      -1.20401498       0.98678377       0.02049131 
O       6.96494141       3.82076861      -9.68795670      -0.35535825       0.61594701       0.13752822 
O       4.31092030       4.27710328      -3.33697839      -1.09158951      -1.12668970      -0.37126306 
O       4.41992302       3.21054508      -8.75821905       0.34605605       0.75609709       0.36613579 
O       9.60134338       4.22227681      -3.43268439      -0.71725817      -0.31122419      -0.55017432 
O       9.45917027       3.31593591      -8.71021142       0.47762980       0.03555307       0.16824046 
O       4.32961920       9.31041992      -3.43864075       0.12437036      -0.12528470       0.16129035 
O       4.39502538       8.43883352      -8.73803083      -0.33574864      -0.00931566       0.05664860 
O       9.53004954       9.37687739      -3.42679882      -0.06826205      -0.56819920       0.48676136 
O       9.46979612       8.51957320      -8.74000526       0.00696175      -0.82133016       0.31239443 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004703919488125388 -0.0010837182102513927 -0.0020250977625549936 -0.0010837182102513927 -0.00409540848668961 0.003945166630158333 -0.0020250977625549936 0.003945166630158333 -0.006284523690635545" pbc="T T T" energy=-961.66230984 free_energy=-961.66230984 config_type=crystal 
Hf       2.79053784       2.87154659      -4.10869074       0.92839398       2.00885742      -0.67635402 
Hf       2.79497554       2.08868931      -9.45001953      -0.33069728       0.39860655       0.32185844 
Hf       8.02964865       3.08919146      -4.17286023      -0.53946037      -0.23573593      -0.26671421 
Hf       8.01656021       2.16142934      -9.42366611      -0.33139229       0.01141048       1.01631555 
Hf       2.79544726       8.13953852      -4.17897231      -0.05652188       0.47941300       0.45371671 
Hf       2.82601789       7.35905716      -9.39723960      -0.50767663      -1.34021897       1.32066196 
Hf       7.98369196       8.05421491      -4.20613480       1.00967833       0.68994353       0.23963690 
Hf       8.04221748       7.27797553      -9.32362315      -0.31837779       0.12423619      -1.39525832 
Hf       0.16132419       0.74439525      -3.76183552      -0.53622525      -0.09634530       0.64847408 
Hf       0.11360676      -0.06818614      -8.94546327       0.99366548       0.07208457      -0.18562210 
Hf       5.49642294       0.80407434      -3.74978295       0.03304808       0.07417279       0.01630172 
Hf       5.46635966      -0.01786749      -8.89833822      -0.53472738      -0.50953162      -0.81422870 
Hf       0.26619094       5.89170174      -3.71669456      -0.24010045       0.30436819       0.19692435 
Hf       0.25860592       5.06533744      -8.86876931      -0.27670714      -0.36533033      -1.73618019 
Hf       5.39992920       5.93621928      -3.76563547       0.71040812      -0.49303857       0.81866297 
Hf       5.35185912       5.10830452      -9.00476480       0.13937789      -1.22340685      -0.28215133 
Hf       2.36900201       1.13848374      -1.05547691      -0.67938620       1.47710030      -0.26784105 
Hf       2.37647035       0.31691778      -6.32440101      -0.37086981       0.38831943      -0.98449000 
Hf       7.61474921       1.23831815      -1.05305778      -0.54331657       0.03294678       0.27366213 
Hf       7.62632223       0.31993572      -6.37477810      -0.52720628       0.10401264       0.66806791 
Hf       2.37281265       6.37539458      -1.11785773      -0.54443265      -0.03554589       1.49776107 
Hf       2.43494142       5.45729642      -6.25107921      -0.62640586       0.37760291      -0.54362543 
Hf       7.58979962       6.33212129      -1.04893147      -0.90287674       0.56215805      -0.16675925 
Hf       7.47196339       5.43823357      -6.45673296       0.99222946      -0.32579102       1.01399471 
Hf       4.88951448       3.50583703      -1.53781487       0.50524161       0.06681443       0.35745004 
Hf       4.93923017       2.56293966      -6.79242490      -0.52717846       0.11123809       0.02912414 
Hf      10.21836378       3.40145451      -1.58746710      -0.72926800       0.21820878       0.51503082 
Hf      10.24648999       2.62342593      -6.77857368      -1.36621314      -0.94495742       0.16536237 
Hf       4.92716070       8.65012065      -1.56809678       1.61115878      -0.96407179       0.14371864 
Hf       4.96798822       7.71368918      -6.79662807       0.11098390       0.84668422      -0.36002439 
Hf      10.16983549       8.61166327      -1.52836907      -0.80183736      -0.48212370       0.78010324 
Hf      10.24497675       7.70617723      -6.80913395      -0.19178888       0.00554506       1.13261851 
O       1.32939409       2.33215933      -2.81418660      -0.77421770      -0.38247171       0.81043829 
O       1.23380493       1.46491181      -8.02648988       1.11357205       0.45486971      -0.05691553 
O       6.57682015       2.39613904      -2.79909044      -0.29212874      -0.47485524       0.37271015 
O       6.54196414       1.47636577      -7.89789751       0.34439309       0.48376974      -1.00096428 
O       1.22264066       7.51344798      -2.63979320       0.97979360      -0.34199517      -0.92935493 
O       1.31411090       6.63905654      -7.94731693       0.55364022      -0.13013156       0.17934492 
O       6.46838339       7.51809300      -2.82107625      -0.35470357      -0.04325971       0.07685542 
O       6.46772382       6.62835932      -8.02146839       0.08659085       0.01258512      -0.30633754 
O       3.87417994       1.40171445      -5.10158553       0.97734586      -0.34789666       0.02008309 
O       3.93290547       0.51750210     -10.39809499      -0.43559429       0.61862853      -0.21967719 
O       9.19174008       1.58647295      -5.10409517       0.05150699      -0.83591334      -0.33438817 
O       9.14021741       0.59949145     -10.38355745      -0.84417504      -0.68334358       0.03565941 
O       3.97975687       6.51784526      -5.13889547      -0.75406447       1.02318654      -0.11845055 
O       3.96703718       5.71230181     -10.43499740      -0.57184489      -0.17802241       0.30891450 
O       9.28518437       6.54217089      -5.11838121      -1.05080429       0.33092783       0.08510136 
O       9.17280470       5.68472975     -10.32108811      -0.41415390       0.01647142       0.07917554 
O       3.85182076       1.91769655      -2.51142932      -0.04179329      -0.70290201       0.33655962 
O       3.87715531       0.97478613      -7.75392882      -0.77378085      -0.02778034       0.38501708 
O       9.08114121       1.81529158      -2.52844699      -0.08583115       0.40639801       0.58928708 
O       9.06174035       0.99133617      -7.66006703       0.22847312      -0.03506115      -1.30577910 
O       3.77945765       6.97063664      -2.53398490       0.08510310       0.80330243      -0.36299236 
O       3.82835272       6.20320735      -7.69743273       0.22001139      -0.32565391      -0.98510897 
O       8.91347104       7.11940705      -2.43124245       0.71599388      -0.86090637      -0.46710417 
O       9.01549190       6.17535978      -7.69615596      -0.00572770      -0.27297362      -0.49084745 
O       1.15029221       2.77853047      -0.13146333       1.43853815      -0.46928954      -0.03454247 
O       1.40558789       1.96460827      -5.45118560      -1.13444562      -0.35845580       0.39228631 
O       6.43630959       2.82021947      -0.03122286       0.10067723       0.39138746      -0.91386853 
O       6.38347536       1.92833207      -5.47808705       0.73637864      -0.34865497       1.57458857 
O       1.29235923       7.93580757      -0.01171057      -0.00659532       0.28502871      -0.73859593 
O       1.31603902       7.16233664      -5.29834759       0.53116386      -0.71888978      -0.07524922 
O       6.44270316       7.91308666      -0.15830230       0.10183814       0.45393361       0.08665526 
O       6.43966192       7.01313531      -5.45578370       0.30659990       0.83187727       0.13621396 
O       3.43571043       3.79576536      -5.97340479       1.10732518      -1.03162289      -0.63930037 
O       8.69389024       4.60454455      -0.76189462      -0.28677466       0.85154775      -0.61202484 
O       8.58550533       3.76461078      -6.04887732       0.72178495      -0.03212831      -1.04710525 
O       3.44187322       9.76596440      -0.71929133       0.32108013       0.59372088      -1.38817173 
O       3.44258558       8.90411749      -6.08822795       0.24873028      -0.61438329       0.85421506 
O       8.69644552       9.82441829      -0.73039602      -0.20183433       0.18541159       0.11489824 
O       8.81779835       8.87715106      -6.03364643      -1.40201986       0.70696291       0.15800292 
O       0.85604840      -0.00088479      -1.86792754       0.75801241       0.72449709       0.58829484 
O       0.80611535      -0.76828344      -7.10014874       0.87254868      -0.47998319       0.89946332 
O       6.08884223       0.05257345      -1.73424900      -0.27558504       0.20791547      -0.76435543 
O       6.13982907      -0.85462593      -7.08244623      -0.26049580      -0.63444424       0.33461180 
O       0.96163593       5.09554246      -1.84271448      -0.13504390       0.11795092      -0.12562993 
O       0.86315900       4.29201469      -7.02394684       0.74057068       1.00304314       0.11356012 
O       5.96619363       5.21441142      -1.80834417       0.84641844       0.17066138       0.53279960 
O       5.95348058       4.29174150      -7.08737583       0.26059493       0.50972143      -0.04948036 
O       1.66164517      -0.40409706      -4.38166248       1.19940635      -0.65035477      -0.90091973 
O       1.68920055      -1.30773995      -9.66048811      -0.24271364       0.59259645      -0.43281585 
O       6.96476467      -0.39533250      -4.53376177      -0.26485127      -0.18594368       0.96307502 
O       6.92239305      -1.25024894      -9.59674148       0.85583411      -0.66809551      -0.50958342 
O       1.72422623       4.70783396      -4.45187800      -0.51040526       0.31667184       0.55110458 
O       1.68758018       3.83244763      -9.70115614       0.68784909      -0.55339995      -0.23488987 
O       7.00512827       4.86134876      -4.51624302      -0.83751378      -0.45729275       1.01503128 
O       6.90486472       3.90428918      -9.60667503       0.42476891      -0.57422688      -0.31129959 
O       4.34378169       4.23002640      -3.43452252      -0.69352243      -0.81259006       0.15843377 
O       4.28366853       3.26297033      -8.70077539      -0.04350388       0.57919489      -0.47654426 
O       9.45743291       4.23212474      -3.41083089       0.72784856       0.36812444       0.33674645 
O       9.52064622       3.29558436      -8.65072697       0.09354459       0.43895776       0.06013993 
O       4.38739017       9.36461814      -3.45126686      -0.82186737      -0.30759804      -0.06708517 
O       4.27910647       8.58202428      -8.67230231       0.12192194      -0.83812463       0.35048342 
O       9.47162907       9.29903711      -3.41472860      -0.04301542       0.50458826      -0.24975194 
O       9.57330984       8.42096834      -8.66800957      -0.52198812       0.08370989      -0.26670005 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004014449303840447 0.002357243190900018 0.0013489665321173062 0.002357243190900018 -0.006049997087811706 7.9832478104776e-05 0.0013489665321173062 7.9832478104776e-05 -0.00044348692321150615" pbc="T T T" energy=-961.41002136 free_energy=-961.41002136 config_type=crystal 
Hf       2.84401607       2.92550245      -4.10156179      -0.40216047      -0.18504392      -0.44701860 
Hf       2.77522816       2.10425146      -9.41839954       0.55304986       0.89913031      -0.23011408 
Hf       8.01166025       3.07914346      -4.18069703       0.08341311      -1.03733617       0.74951190 
Hf       8.02347547       2.15668026      -9.46323620      -0.04596399       0.20815182       0.01664383 
Hf       2.80429677       8.16702822      -4.20186117       0.28866325      -0.17893683       1.25962185 
Hf       2.81159658       7.35114939      -9.38042596      -0.48902985      -0.69490157      -0.73634943 
Hf       8.03458560       8.06249544      -4.14724784      -0.77074702       0.96187453      -0.47170927 
Hf       8.01572940       7.28293101      -9.38637727       0.26807207      -0.67953446       0.36553258 
Hf       0.16854887       0.69466138      -3.76682372       0.59059915       0.63431426       1.03668507 
Hf       0.07015704      -0.04504993      -8.97390484       2.15018537      -1.24283422       0.27478949 
Hf       5.51344349       0.74898954      -3.72835808      -0.79297384       0.48972183       0.22074975 
Hf       5.43155051      -0.02473169      -8.89095957       0.07053977      -0.52039491      -1.78700791 
Hf       0.24710813       5.88474269      -3.71457974       0.20961000       0.45685656       0.03186445 
Hf       0.25425156       5.01597565      -8.94112590       0.31363118       1.17421043      -0.40081657 
Hf       5.39776823       5.95680450      -3.72360478      -0.40716543      -0.46636417       0.08061766 
Hf       5.40359251       5.07093557      -9.01920227      -0.91423703      -0.05855540       0.38210717 
Hf       2.38974354       1.22132387      -1.06942231      -0.87666144      -0.80304755      -0.60995501 
Hf       2.39367658       0.33199560      -6.35081051      -0.65722036       0.29794535      -0.39673229 
Hf       7.61339037       1.21576195      -1.05075406      -1.22750545      -0.09537611      -1.11721970 
Hf       7.55368628       0.36187357      -6.36805394       1.70419012       0.08022649       1.46762664 
Hf       2.40571810       6.41062617      -1.11513136      -0.14156187       0.15538905      -0.37751886 
Hf       2.39018803       5.44758905      -6.25483233       0.83066827      -0.29023242      -1.32841319 
Hf       7.55103135       6.33545391      -1.08234969       0.43481623       0.73258706      -0.46422311 
Hf       7.57328778       5.42190440      -6.38785616      -0.30748131       1.50341443       0.19287771 
Hf       4.85920349       3.49652832      -1.47087364       0.48522166       0.17241443      -1.02055519 
Hf       4.96733436       2.53356444      -6.76069381       0.37501624       0.81648887      -0.33228671 
Hf      10.21914305       3.38930767      -1.57859306       0.15761021       0.82052115       0.12092871 
Hf      10.23454728       2.56580162      -6.78440749      -0.15617799       0.02991429       0.20012404 
Hf       5.00324467       8.67176823      -1.57512597      -0.83749004      -0.75613452       0.33469340 
Hf       4.93825452       7.80401985      -6.79493716       1.16713535      -1.85279574      -0.07464266 
Hf      10.09720556       8.60689457      -1.48840364       1.32374669      -0.75777484      -1.20852541 
Hf      10.22179434       7.72967704      -6.76215192      -1.24339624      -0.51821745      -0.51569901 
O       1.26608020       2.34647165      -2.77417633       0.53858594      -0.27149899       0.03950772 
O       1.34039772       1.56730781      -8.01289120      -0.55214788      -0.84743621       0.53336856 
O       6.66956953       2.24062444      -2.73446574      -0.17401797       0.75435478      -0.35094578 
O       6.60592617       1.48710292      -7.95734888      -0.26615946       0.30406119      -0.49125687 
O       1.30586267       7.50266242      -2.84613106       0.52824625       0.04634196       0.19910000 
O       1.36922684       6.62735638      -7.92362593      -0.12946428      -0.16858492      -1.00113028 
O       6.44553919       7.48951528      -2.72154236       1.55428587      -0.11756976      -0.27942117 
O       6.57247264       6.59728354      -8.00439780      -0.29316279      -0.09761544       0.13741187 
O       4.03732254       1.34260501      -5.17346056      -0.54840773       0.34847757       0.12647159 
O       3.87520910       0.66214168     -10.44495301       0.36716805      -0.77197320       0.75466115 
O       9.10108912       1.47042670      -5.16410233       0.48216655       0.09071208       0.25498482 
O       8.98218508       0.43864435     -10.33439581       0.88773230       1.10964279      -0.10148816 
O       3.91984061       6.63937230      -5.15113716       0.14100573      -0.74521520      -0.40079895 
O       3.87071956       5.76809815     -10.41093143       0.52998349      -0.53686544      -0.11602650 
O       9.05946269       6.50921455      -5.09248099       0.33300069       0.31622849      -0.13372753 
O       9.07799534       5.68169839     -10.34758381       0.38380381      -0.59159674       0.18908440 
O       3.80576775       1.82564810      -2.48662453       0.36204875       0.54835232      -0.11496939 
O       3.83432869       1.00747961      -7.78613274       0.67474274      -0.55249674      -0.00487709 
O       9.11098016       1.85499249      -2.39290240       0.18976596      -0.17420698      -0.94533652 
O       9.11865610       1.02899208      -7.81802397      -0.71698025       0.20161250       0.67358939 
O       3.89225822       7.02137804      -2.60715213      -0.71217545      -0.36231191       1.02883132 
O       3.82331488       6.16670547      -7.83804207       0.61472286      -0.02830054       0.94444514 
O       9.12938314       6.98925874      -2.51006614      -1.20424355       0.13363985       0.14961953 
O       9.09650243       6.17839913      -7.73719340      -0.14612039      -0.43579477      -0.10137541 
O       1.23584933       2.74384117      -0.09984565      -0.95993527       0.90529660      -0.17656630 
O       1.21768823       1.79444852      -5.32727449       0.51919240       0.76881609      -0.71220767 
O       6.37567214       2.86935163      -0.14473513       0.61765182      -0.50981762       0.91999518 
O       6.57807343       1.91035941      -5.31255824      -1.27033403       0.37108120      -1.02264875 
O       1.18414670       8.04263341      -0.20581682       1.03940074      -1.12458552       1.42176732 
O       1.21225775       6.90522077      -5.44334502       0.07887161       0.91391814       1.29698782 
O       6.44824181       8.04216232      -0.11300751      -0.13218286      -0.86028626       0.05272382 
O       6.43467831       7.11093721      -5.34084997      -0.08141570      -0.65512368      -0.23654888 
O       3.46547197       3.63775752      -6.05020134      -0.17336863       0.51350216       0.10898738 
O       8.72166537       4.64849827      -0.88333851      -0.28812159      -0.29161819       1.06591105 
O       8.72418501       3.81553553      -6.19175195      -0.33082928      -0.51911986       1.12030854 
O       3.56195272       9.85701278      -0.83512602      -1.05151852       0.47949191       1.16487371 
O       3.52484191       8.93673282      -6.05380073      -0.31894108       0.24778330      -0.34001852 
O       8.63207640       9.68118253      -0.83561629      -1.33159668       1.88938983       0.57095084 
O       8.64754350       8.93557269      -6.07259457       0.63131159      -0.64740342       0.38345643 
O       0.89526304      -0.03202235      -1.82778695       0.14240735       0.67788618      -0.53367046 
O       0.90970358      -0.92005862      -7.04577745       0.50417107       1.49856991      -0.50626028 
O       6.02947479       0.06895945      -1.86401502       0.90835252      -0.24033193       0.92861924 
O       6.10396967      -0.77490361      -7.04434590      -1.37480851      -0.93928959      -0.74662347 
O       0.96343293       5.14534634      -1.85635547       0.15107110      -0.00030423       0.41578460 
O       0.96338420       4.27881947      -7.04236549      -0.68104113      -0.51136747      -0.50239592 
O       6.09038446       5.13206601      -1.81790706      -0.49336176       0.14615040      -0.18524439 
O       6.00193354       4.32532361      -7.04116202      -0.13099581      -0.46830992      -0.55289768 
O       1.72306553      -0.45219449      -4.56790001      -0.91236551      -0.03696653       1.04275017 
O       1.66063628      -1.25613012      -9.68292587       0.70625747      -0.51229089       0.19395419 
O       6.84226475      -0.48155490      -4.46729181       0.64458333      -0.45779454      -0.43711478 
O       6.97734669      -1.28034424      -9.65928937      -0.90283763       0.74639615       0.19324040 
O       1.75473214       4.65784250      -4.39918596       0.11149790       0.09240377      -0.28712972 
O       1.85996525       3.88252334      -9.72436223      -1.06587378       0.57145568      -0.07997272 
O       6.79196669       4.63990008      -4.43728891       0.73415672       0.61310157      -0.75594839 
O       6.90105242       3.83539633      -9.75253666       0.05901580       0.04865146       0.44112565 
O       4.31249568       4.08891196      -3.42967724       0.49369127       1.15671941       0.35983102 
O       4.35666108       3.25144349      -8.79319786       0.39354012       0.30372868       0.64467154 
O       9.53008113       4.23750492      -3.40956053      -0.65489623      -0.94464343      -0.38367860 
O       9.52669566       3.37990115      -8.67026006      -0.30556838      -0.76087426      -0.48105392 
O       4.20547533       9.39133438      -3.39497721       0.40091819      -0.00450039      -0.41732458 
O       4.38852334       8.45515205      -8.72596566       0.09354702       0.95486750       0.41605842 
O       9.37900551       9.42096502      -3.39492419      -0.00176634      -0.77256560      -0.30908028 
O       9.54317508       8.47085132      -8.66760950      -0.29441857      -0.02972801      -0.30728495 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00282060862162844 -0.0006541786319891856 0.00139167636142803 -0.0006541786319891856 -0.003116976321565858 0.0015565107352239302 0.00139167636142803 0.0015565107352239302 -0.005681673369727903" pbc="T T T" energy=-961.91635403 free_energy=-961.91635403 config_type=crystal 
Hf       2.82468700       3.05825858      -4.16093609      -0.49256593      -0.50515374       0.62858322 
Hf       2.75838642       2.11719506      -9.36249033       1.44035907       0.46814299      -0.26737195 
Hf       8.00622124       3.08628113      -4.17463620      -0.80900303      -1.42211510      -0.27515174 
Hf       8.05315898       2.11454932      -9.44574758      -0.58598994       0.51471567       0.82805539 
Hf       2.72107207       8.10462278      -4.10962046       0.61047300       0.68673661      -0.90863194 
Hf       2.80541207       7.26808683      -9.45867653       0.40829886      -0.22328487       1.33248614 
Hf       8.00667592       8.15803114      -4.12565517      -0.39423910      -0.08559814      -0.63018722 
Hf       8.05817635       7.21976146      -9.46810364      -1.00776391       0.71749671       0.34635894 
Hf       0.16659851       0.79172443      -3.65615648       0.11170583      -0.28171236      -0.84638539 
Hf       0.15391799      -0.12178189      -8.90592678       0.93417103      -0.13462259      -1.30162453 
Hf       5.42203123       0.69347605      -3.74371120       0.00121170       1.24811054      -0.63948533 
Hf       5.44968936      -0.11393880      -9.04234576      -0.86061518       0.35226565       0.85002111 
Hf       0.19981285       5.88042778      -3.71497362       0.41837523       0.77403236       0.13284826 
Hf       0.16796213       5.07553479      -8.96007295       1.35906526      -0.68391396      -0.24093038 
Hf       5.48954747       5.99958672      -3.70201978      -1.75675648      -0.61897005      -0.04665116 
Hf       5.47009112       5.01814404      -8.95586746      -1.33308015       0.18894550       0.01924982 
Hf       2.36465607       1.24593698      -1.04787690      -0.36722582       0.07357378       0.16691473 
Hf       2.41960005       0.28619923      -6.33570416      -0.25985319      -0.18414303       0.38575931 
Hf       7.55979951       1.24244326      -1.07528941       0.06109477       0.20848883      -0.99524499 
Hf       7.57287082       0.34408378      -6.39284341       0.52803621       0.28875282       0.75430006 
Hf       2.46081108       6.39890679      -1.06747939      -0.63891139      -0.36304845       0.78113686 
Hf       2.39019687       5.50699654      -6.35588219       0.13724399      -0.09380719      -0.46792072 
Hf       7.53124709       6.31766899      -1.13597681      -0.35912276       0.86529858       1.09660438 
Hf       7.62298840       5.52744063      -6.33916935      -0.94954464      -0.64445954      -0.45423519 
Hf       4.91809880       3.41095680      -1.52351885      -0.54253317       0.94991295      -0.47545493 
Hf       4.94301878       2.55308253      -6.71385186       0.13431111       0.58079717      -1.72571816 
Hf      10.17851315       3.48434900      -1.58210865       0.41937110      -0.59865057       1.31481742 
Hf      10.28073994       2.55874445      -6.74038389      -1.01231413       0.12989205      -0.32184955 
Hf       4.96539408       8.66792432      -1.58577661      -0.40954176      -0.22215930       1.16831404 
Hf       5.03959564       7.73906946      -6.79110823      -0.52543076      -0.62594829      -0.59571213 
Hf      10.13401276       8.60836221      -1.54592910       0.14476886      -0.06652413       0.07109630 
Hf      10.16702803       7.69905639      -6.75471394       0.95884889       0.21575281      -0.52734876 
O       1.24301167       2.38036243      -2.78807060       0.40943371       0.24426534       0.86720331 
O       1.34575631       1.48549350      -7.94088554      -0.19308117      -0.04324895       0.52620382 
O       6.56476928       2.22761409      -2.77165125      -0.11225009       1.21968691      -0.40961216 
O       6.52404794       1.40113573      -8.02161298       0.69759795       0.71359566      -0.06408259 
O       1.22982295       7.55031289      -2.74099742      -0.01667853      -0.48511414      -0.12659377 
O       1.28706371       6.70868167      -8.03412695       0.23367630      -0.96139507       0.53842743 
O       6.46201726       7.62517508      -2.69566135       0.05061326      -1.00509683      -0.86563113 
O       6.63149004       6.62107816      -7.96503625      -0.36343912       0.07408732      -0.36982153 
O       3.92851485       1.40428929      -5.18066806      -0.31570926       0.18869094       0.66809892 
O       3.93523176       0.58001612     -10.39175274      -0.21922865       0.07327606      -0.10735470 
O       9.10344668       1.39986135      -5.18453448       0.00604000       0.88340749       0.77418352 
O       9.06368790       0.51774031     -10.40781632       0.50291085       0.30795491       0.51369452 
O       3.92922419       6.53228623      -5.10592804       0.26655320      -0.02963142       0.12879918 
O       3.92328645       5.68703574     -10.38485490      -0.21395038      -0.24358677      -0.44774431 
O       9.10710895       6.59128207      -5.10386258       0.49907202      -0.51295467      -0.02908188 
O       9.11775276       5.69699083     -10.42342649      -0.00148726      -0.19328143       0.13636037 
O       3.78165489       1.93022175      -2.49644268       0.36159088      -0.05074199      -0.22127363 
O       3.90672806       0.95578555      -7.73693425      -0.52000523      -0.06954163       0.11931478 
O       9.04649893       1.87135761      -2.43293556       0.40376589       0.57433162      -1.05094290 
O       9.08840101       0.99174007      -7.76664607      -0.14211743      -0.24517243      -0.00136043 
O       3.81015391       7.15690519      -2.52434326       0.11572720      -0.90641473       0.29841890 
O       3.82736730       6.11590948      -7.79516713       0.18649842       0.40186990       0.52541629 
O       8.90384350       6.99735036      -2.51487394       1.31483847       0.27799317      -0.30274331 
O       9.08171060       6.17136686      -7.74436677       0.13895615      -0.72330614      -0.17604201 
O       1.29489758       2.82709437      -0.00943604      -1.01717883      -0.30669862      -0.98601680 
O       1.24430942       1.82633693      -5.27072223       0.28851115       0.20001669      -0.89239909 
O       6.37935685       2.85175466      -0.20200952       1.03313883      -0.36724364       0.78807754 
O       6.39824776       1.99806491      -5.37044061       0.85164842      -0.73749815      -0.11673737 
O       1.22356581       7.95761419      -0.12256283       0.21216372      -0.29667491       0.02763541 
O       1.26697740       6.98099792      -5.32188181      -0.21765169       0.22059755      -0.39118654 
O       6.37694391       7.93530506      -0.14492687       0.78352948       0.51302137       0.02003091 
O       6.52748100       7.03299677      -5.34274165      -0.82055389       0.69409864      -0.02024692 
O       3.40199361       3.72973205      -6.00747246       0.56908693       0.23768276      -0.54683419 
O       8.67795277       4.64545761      -0.76812210       0.38779394       0.15219347      -0.50485270 
O       8.67709370       3.80065888      -6.09386456       0.39603321      -0.43957031       0.71262026 
O       3.52674999       9.84464353      -0.70571786       0.16846457       0.54381506      -1.12791189 
O       3.53988675       8.82719497      -6.02144370      -0.73365145       0.90541989      -0.00165551 
O       8.74392024       9.86369774      -0.77659208      -0.43693780      -0.31426011       0.10343767 
O       8.80195066       8.89893043      -5.98396722      -0.99709939       1.00088192      -0.43158249 
O       0.87075452       0.05572679      -1.76468946      -0.21609561      -0.42358289      -0.69598231 
O       0.94495764      -0.87145417      -7.19981704       0.02114386      -0.52604820       1.25984475 
O       6.12525211       0.01626474      -1.95193096      -0.26758844      -0.73643419       0.95892607 
O       6.18632315      -0.88482333      -7.12293827      -0.41960956      -0.55471659      -0.01094472 
O       0.94803909       5.19274818      -1.80282580      -0.32173883      -0.26294042      -0.56185323 
O       0.93996375       4.28386043      -7.15461108      -0.17137803       0.09339468       0.34893803 
O       6.14450190       5.09059812      -1.83089544      -0.62337411       0.38052609      -0.61553268 
O       6.02529768       4.35035156      -7.05845123       0.35813923      -0.31564968       0.48889928 
O       1.55280683      -0.52919120      -4.46898051       0.22313941       0.14869506      -0.31861141 
O       1.69734394      -1.34948559      -9.72454788      -0.36165210       0.79145370       0.09835460 
O       6.86987468      -0.45111788      -4.52316049      -0.43352572       0.18989159      -0.43732172 
O       6.88155971      -1.29141425      -9.77246509       0.54077592      -0.80568374       0.15365644 
O       1.49131021       4.57451905      -4.53931826       0.58409185       0.52483894       0.12426208 
O       1.75166721       3.81764414      -9.67965357      -0.36087367       0.84261926      -0.41462517 
O       6.84830817       4.75896074      -4.43879994       0.89475089      -0.74917701      -0.12857506 
O       6.95482999       3.94113213      -9.72247737       0.79955179      -1.50768935       0.41383085 
O       4.22917320       4.33496598      -3.38076530       0.00513384      -0.33661100       0.17110376 
O       4.36946567       3.29494381      -8.72672601      -0.33454122      -0.33983313       0.32317857 
O       9.45107862       4.25206750      -3.38066681      -0.34873972      -0.26078935       0.07140614 
O       9.51499899       3.27885113      -8.64664823       0.11568474       0.50007841      -0.31119854 
O       4.10134286       9.47194028      -3.43984485       0.69988520      -0.29503305       0.62706358 
O       4.40055343       8.44938907      -8.68972289      -0.56043643      -0.33954338       0.24073268 
O       9.29064104       9.43401957      -3.40438227       1.58612847       0.28075996       1.24382200 
O       9.53906697       8.38265760      -8.71128332      -0.36769945       0.66090203       0.31062425 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0032525029340385696 -0.0009579998172945504 0.0003240758623357887 -0.0009579998172945504 -0.0011420441455988572 0.0020117362768597956 0.0003240758623357887 0.0020117362768597956 0.0033975998709068174" pbc="T T T" energy=-961.53626972 free_energy=-961.53626972 config_type=crystal 
Hf       2.80094486       3.05938904      -4.14538283       0.24115742      -1.06627015      -1.02606089 
Hf       2.88572822       2.08475236      -9.39138259      -1.34131880       0.85859950      -0.13998958 
Hf       7.97640722       3.03562506      -4.20959034       0.93072448      -0.61412809       0.71944098 
Hf       8.01910500       2.10093471      -9.38568759      -0.27115076       0.17933066      -1.13625058 
Hf       2.82727418       8.12272968      -4.20014863       0.21253985       0.46191043       0.11539998 
Hf       2.71864968       7.28511334      -9.43578777       1.63920387       0.01739863      -0.33252506 
Hf       8.04234331       8.12564299      -4.10846424      -0.30706602       0.57103983      -0.49480113 
Hf       7.99522852       7.26370672      -9.45317622       0.89085322       0.71311781       1.07141828 
Hf       0.23921763       0.77135170      -3.70212783      -0.45551795       0.36085279      -0.98195705 
Hf       0.22969347      -0.09323840      -9.04585212       0.42736003       0.75133326       1.16171045 
Hf       5.33887520       0.76906480      -3.70524566       1.04306985       0.68838455      -0.42938961 
Hf       5.47402125      -0.20078801      -8.96977454      -0.59989455       1.24276563      -0.13005602 
Hf       0.31357412       5.89186607      -3.65312107      -1.89988784       0.26642580      -0.49903121 
Hf       0.17158772       5.05953836      -8.96806967       1.79826298      -0.56036086       0.56251755 
Hf       5.39832556       5.85816295      -3.64643031       0.94775626       1.05542828      -0.64598062 
Hf       5.43930634       5.04576686      -8.92477607      -0.64316648      -0.43393924      -0.20433548 
Hf       2.36181744       1.27426522      -1.14479782       0.13609474      -0.06488231       1.05696076 
Hf       2.46174402       0.30708429      -6.35218577      -2.07044435       1.20336482      -0.28768138 
Hf       7.45369112       1.26550411      -1.09029254       0.96213804       0.26258058      -1.09261734 
Hf       7.62118195       0.36416293      -6.35162756       0.13473618      -0.07927749       0.71007663 
Hf       2.37738033       6.40185491      -1.12415357       0.03930249      -0.71680759       1.71035104 
Hf       2.36898882       5.47851482      -6.29828574       1.03357389       0.00101455      -1.44552450 
Hf       7.54645806       6.41811558      -1.04024644       0.25391655      -1.40520420      -0.62081950 
Hf       7.65051261       5.51107186      -6.33355059      -0.60805923       0.75490116       0.21356370 
Hf       4.83259333       3.44575531      -1.47188307       1.76922163       1.17613727      -0.06918436 
Hf       5.02559815       2.50807477      -6.78750296      -0.31761135       1.12325980      -0.23339462 
Hf      10.13849773       3.41377488      -1.54461358      -0.69695599       0.59639963      -0.17267053 
Hf      10.14174345       2.55788550      -6.85339938       1.50603964      -0.08164773       1.08569973 
Hf       4.96866369       8.58192982      -1.55266869      -1.11395226       0.30380614       0.50805895 
Hf       5.03290429       7.70310773      -6.83351264      -0.38757211       0.08495594       0.57642452 
Hf      10.15801538       8.65516262      -1.48158414      -0.31580183       0.04964833      -0.47419062 
Hf      10.14698120       7.76057016      -6.76465306       0.96821455       0.57957512      -0.66706444 
O       1.24871687       2.40408006      -2.73688970       1.00850993      -0.51908663      -0.49748543 
O       1.42230327       1.43541642      -8.02226549      -0.69785499       0.51159895      -0.04898527 
O       6.47340824       2.36562005      -2.77413800       0.38693996      -0.04972120      -0.02165949 
O       6.56752738       1.47259686      -8.00892775       0.09257205       0.08152285       0.09813123 
O       1.40223795       7.49587830      -2.66061954      -0.73914953       0.37341771      -0.71181868 
O       1.31095827       6.66012835      -8.12472526      -0.14750404      -0.22790527       1.67700907 
O       6.52956519       7.43077834      -2.70690433       0.01045577       0.89125621       0.12965825 
O       6.63603039       6.67153027      -7.93036637      -0.15498602      -0.30550961      -0.58583002 
O       3.87398959       1.42337964      -5.11883799       0.82295022       0.18350374       0.06600755 
O       3.91697653       0.55013674     -10.47729355      -0.17542946      -0.37528657       0.78655734 
O       9.20837972       1.46467203      -5.23568283      -0.39346518       0.20123146       0.60800465 
O       9.10166318       0.51984122     -10.43509674      -0.68169109       0.40849855      -0.02474674 
O       3.94518296       6.61556493      -5.20640751      -0.09193262      -0.35219668       0.53127223 
O       3.88616421       5.72757506     -10.42830359       0.42960160      -0.60740402      -0.11458086 
O       9.13146868       6.57089778      -5.13233145      -0.11979555       0.50347960       0.37230975 
O       9.16882002       5.79630883     -10.31256174      -0.68215393      -0.62897047      -1.17147913 
O       3.81717162       1.96311255      -2.61664162      -0.63503987      -0.71815928       1.17471750 
O       3.88414185       0.99687961      -7.71016899       0.83247483      -0.51475649      -0.71005728 
O       9.02099376       1.88568798      -2.60009920      -0.40371827      -0.08297246       0.45492913 
O       9.07629912       0.96155650      -7.78352860      -0.20868502       0.26127421      -0.39098663 
O       3.81050115       6.98299516      -2.54471450       0.80216502       0.09587286      -0.15339077 
O       3.91119038       6.16879487      -7.84186344      -0.51618979      -0.34340142       0.70221148 
O       9.07110242       7.02014036      -2.50897576      -0.02416456       0.51808632       0.52148238 
O       9.18475884       6.13021166      -7.70737290      -0.96617316       0.25974391      -0.35119972 
O       1.18521638       2.87262310      -0.10645199       0.69199480      -0.46811344      -0.52920802 
O       1.32080433       1.94836851      -5.44488126      -0.08990284       0.06230356       0.94829947 
O       6.40729407       2.80884938      -0.12072470       0.18136729      -0.15821549       0.41747710 
O       6.44512565       1.91452806      -5.40774741       0.21852980       0.33693835       0.11608487 
O       1.23354341       7.96181507      -0.08443237      -0.09446973      -0.34209946      -0.59488385 
O       1.20610679       7.03986745      -5.36928933       0.77189681       0.21839628       0.02671815 
O       6.40590239       7.98825312      -0.07962867       0.39556277      -0.08677338       0.07180982 
O       6.42243356       7.18133718      -5.35236816       0.75672472      -0.58695001       0.38435924 
O       3.64289208       3.81447828      -6.00056665      -0.66268443       0.22719835       0.14752190 
O       8.71262581       4.75169144      -0.85609936      -0.15697618      -0.55403117       0.82762089 
O       8.61496961       3.79785037      -6.16180765       0.70005774      -1.21755022       0.66868509 
O       3.35527521       9.75697702      -0.86086284       0.26794333       0.45379065      -0.56148781 
O       3.51715725       8.95769763      -6.05679739       0.96621207      -1.37141918      -0.18379496 
O       8.55872258       9.85997486      -0.88521969       0.59702529      -1.19262232       0.20547553 
O       8.77492706       8.97844080      -5.96537719      -0.62505370      -0.21115402       0.01814979 
O       0.82628447       0.11304959      -1.70241879      -0.36839793      -0.26893538      -0.72729317 
O       0.86347715      -0.77040463      -7.09010210      -0.12699959      -1.08311400       0.18245264 
O       5.89035601       0.11263026      -1.72119814       0.17279501      -0.17398289      -0.14541687 
O       6.19808538      -0.83200757      -7.15197564      -0.58343831      -0.76059029       0.60907951 
O       0.91355141       5.10378775      -1.89200822       1.10626681       0.63667821       1.06658226 
O       0.89632327       4.33486393      -6.98469712      -0.62011351      -0.43710339      -0.76639161 
O       6.04036496       5.18475337      -1.73361781      -0.22664736      -0.01776661       0.11212152 
O       6.13231044       4.35313598      -7.07153927      -0.76298818      -0.62242190      -0.14234487 
O       1.70790994      -0.47202037      -4.47449542      -0.25366387       0.42009838       0.67898826 
O       1.78573886      -1.19950083      -9.65368247       0.45858067      -0.31543387      -0.63266833 
O       6.96344282      -0.26283801      -4.37528474       0.41583163      -1.26481754      -0.12957165 
O       6.90720503      -1.39149606      -9.66743908      -0.32307187       1.33935273      -0.79433990 
O       1.79181250       4.75252988      -4.46196192      -0.17953224       0.35563874       0.37132935 
O       1.76841387       3.82234302      -9.61589580      -0.05287306       0.34554829      -0.86777534 
O       7.03804649       4.78418832      -4.38082380      -1.16369712       0.69104378      -0.13443178 
O       6.95044840       3.85513421      -9.66343237       0.08096336       0.30536589      -0.10786562 
O       4.33519442       4.25298636      -3.28472590      -1.27787464      -0.45876079      -1.07950484 
O       4.43370367       3.19703658      -8.76240857       0.31706858       1.07872192       0.29421914 
O       9.54824669       4.23112973      -3.40662341      -0.55447669      -0.37771166      -0.99714737 
O       9.45165456       3.31318301      -8.66366516       0.63630345       0.50369544      -0.26111813 
O       4.35070235       9.33543041      -3.46891509      -0.52906038      -0.89564096       0.25827787 
O       4.38910935       8.43190506      -8.72943463      -0.58265846       0.05976516      -0.02047209 
O       9.54747677       9.36070162      -3.36896432      -0.12729331      -0.21333571      -0.25030234 
O       9.53771841       8.54642973      -8.77888525      -1.03548895      -1.79086974       0.60046892 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0009065745568517537 -0.004279988055609006 0.0036619414138439037 -0.004279988055609006 0.0008530531979161932 0.0018562411667915907 0.0036619414138439037 0.0018562411667915907 -0.002047998159130297" pbc="T T T" energy=-961.29683615 free_energy=-961.29683615 config_type=crystal 
Hf       2.82465978       3.04086872      -4.14346826      -0.48243004      -0.31077758      -0.01073023 
Hf       2.85125166       2.03238868      -9.43420996      -0.16426310       1.90586117       0.51421165 
Hf       7.95614573       2.99774797      -4.21830309       0.12570802      -0.69142581       0.98212679 
Hf       8.01907300       2.17171788      -9.38615172       0.05228933      -0.18532313      -0.30670588 
Hf       2.86376417       8.14129838      -4.21976047      -0.95383199      -1.06457476       0.36054715 
Hf       2.73582182       7.25589432      -9.40572670       0.05489653      -0.01403961      -0.89947744 
Hf       8.08299554       8.15445427      -4.12492023      -1.20373172       0.37606561       0.64762988 
Hf       8.01464663       7.26785132      -9.43122674       0.14220231       0.18431465       0.43493920 
Hf       0.24176803       0.73700178      -3.76012729      -0.49336640       0.69569576      -0.47747404 
Hf       0.22919152      -0.10166262      -9.03054405      -0.51477780      -0.51756121       0.21901529 
Hf       5.40817473       0.74889684      -3.69142542       0.68586357      -0.16135622      -0.14241346 
Hf       5.43972434      -0.19566049      -8.96593091       0.31936207       1.07409024       0.72430785 
Hf       0.25188777       5.88962860      -3.68042270       0.14332622       0.30679228       0.27548728 
Hf       0.22514242       5.04149631      -8.99033721       0.04990320       0.02498515      -0.23194867 
Hf       5.44979056       5.89014743      -3.64626272      -0.44883700       0.67002675      -0.21388591 
Hf       5.43561010       5.02655574      -8.93744356      -0.12745344       0.10447050      -0.13305977 
Hf       2.39122031       1.29958486      -1.16472394      -1.01618117      -0.80251263       0.66929018 
Hf       2.45675169       0.34965575      -6.34170209      -1.19559692       0.03096923      -0.07043125 
Hf       7.43291718       1.27259946      -1.11289558       2.05957028       0.47852975      -0.61893862 
Hf       7.59327798       0.33917259      -6.35739627      -0.47021142       0.17654127       0.58693230 
Hf       2.39043106       6.42656926      -1.11876225      -0.37358114      -0.84562478      -0.35378161 
Hf       2.35440729       5.43955528      -6.37772824      -0.33958925       0.59162193       0.61523002 
Hf       7.56240509       6.41286521      -1.03353583       0.26705450      -0.13502126      -0.28742311 
Hf       7.64295585       5.54226289      -6.29980560      -0.85560480      -0.73135772      -0.30120818 
Hf       4.87363998       3.48788543      -1.43203975       0.39929301      -0.25044986      -0.48105245 
Hf       4.99060727       2.59310669      -6.71097932       0.15456943      -0.05753506      -1.50306286 
Hf      10.08743847       3.40008253      -1.61050381       0.26414094       0.91175168       0.97726393 
Hf      10.15689282       2.52675630      -6.80236444       0.46534337       0.35899615       0.15951097 
Hf       4.90548270       8.58829267      -1.53823227       0.67590092       0.26752869      -0.01559977 
Hf       4.98553587       7.66097269      -6.82798534       0.47785072      -0.71511326       0.95944041 
Hf      10.15188636       8.67934183      -1.50641424      -0.29780473      -0.00357380      -0.46060656 
Hf      10.20861955       7.77846162      -6.71262770      -0.37674034       0.06352438      -0.80005729 
O       1.39336131       2.34506285      -2.79437515      -0.91236967       0.55935962       0.48176233 
O       1.34631728       1.44302131      -7.96915227       0.27366247       0.17143973      -0.37060509 
O       6.49546913       2.31368829      -2.78948387      -0.38724217       0.39555122       0.16729985 
O       6.52284007       1.46491121      -7.92181038      -0.07007982      -0.46029532      -0.46061406 
O       1.32822071       7.48429805      -2.81046761       0.26534602       0.28127094       0.40468141 
O       1.31487905       6.73929520      -7.95089354       0.31536149      -0.89354573      -0.83924743 
O       6.47770775       7.55420853      -2.65890994       0.43193340      -0.94763317      -0.32346458 
O       6.54363396       6.61899828      -7.98072791      -0.61881297      -0.18354169       0.26717177 
O       3.98355058       1.48658865      -5.12284963      -0.53026991      -0.48104104       0.30376766 
O       3.92995899       0.44694608     -10.29091625      -0.07292968       0.56937017      -0.81893357 
O       9.08091719       1.37325585      -5.16686451       0.36722904       0.25856505      -0.32621042 
O       9.05947204       0.58716567     -10.46721971       0.79410828      -0.36245213       0.44391356 
O       3.91746633       6.45720378      -5.04295393       0.39132885       0.63415659      -0.91408493 
O       3.92888848       5.70478172     -10.45617026       0.09039423       0.33376567       0.91730212 
O       9.18012841       6.67032856      -5.07858231       0.13433119      -0.80802457      -0.40954778 
O       9.04465091       5.67648873     -10.39395261       1.00011553       0.55137561       0.62989400 
O       3.85731961       1.83601917      -2.42554651       0.84716311       0.76557256      -1.11564847 
O       3.93885340       1.01697950      -7.75851852      -0.56599459      -0.40621113       0.37396359 
O       8.93551779       1.85815720      -2.56312013       0.87551164       0.46047265      -0.12706066 
O       9.02420073       1.06138189      -7.88641911       0.43003911      -0.60698909       0.93535279 
O       3.88015893       6.99953617      -2.51017660      -0.20510446      -0.08589305       0.11890286 
O       3.82115588       6.05884960      -7.72278125       0.43056157       0.36992973      -0.64799022 
O       9.02104260       7.08834265      -2.42354667       0.20722016      -0.27299248      -0.48248145 
O       8.99110951       6.20351866      -7.71997475       0.91907840      -0.38684713       0.07429733 
O       1.24353607       2.86629248      -0.11181590      -0.19061488      -0.35681406      -0.14280738 
O       1.24750495       1.89067748      -5.28808222       0.21583698       0.27088422      -1.32496698 
O       6.42485855       2.87897926      -0.08800971      -0.39278752      -0.12430889      -0.00018050 
O       6.45391480       1.92758479      -5.35961042      -0.01567731      -0.52110271       0.06437234 
O       1.24294143       7.93751655      -0.16750869      -0.18944271       0.74819048       0.37248368 
O       1.30422858       7.03434413      -5.40938613      -0.19521378      -0.05441777       0.16732265 
O       6.46067909       8.07393995      -0.07826307      -0.57702840      -0.73443633      -0.30488362 
O       6.49315957       7.03407048      -5.31913675      -0.40720338       0.37978393      -0.39593761 
O       3.38123474       3.74146909      -6.07836086       0.78248887      -0.61894496      -0.00226262 
O       8.82042450       4.74707409      -0.60692373      -0.38309407       0.19320899      -1.78024195 
O       8.70875646       3.71221220      -5.99918729      -0.10129240       0.93161379      -0.78154128 
O       3.38825795       9.82676390      -1.05661045      -0.24115685      -0.71789453       1.37969982 
O       3.56515324       8.88587409      -6.08518246      -0.55916131       0.39334761      -0.04211261 
O       8.71694422       9.88266241      -0.73158416      -0.04066618      -0.25265199      -0.85614917 
O       8.72064047       9.02638486      -5.94475940       0.71899642      -1.16286410      -0.87634256 
O       0.79283219       0.16135158      -1.89626526       0.58053233      -0.66131271       1.14056094 
O       0.81405707      -0.76194534      -7.03286383       0.55067373      -0.01167524      -0.61287010 
O       5.98533785       0.08993132      -1.75544653      -0.53627358      -0.88292162      -0.41220751 
O       6.17972687      -1.01000108      -7.10146426      -0.27829774       0.68884262      -0.47722848 
O       0.93209290       5.15753248      -1.77331086      -0.61470827      -0.44252621      -1.06172263 
O       0.84445398       4.29003658      -7.16393665       0.76160251       0.23875120       0.89966065 
O       6.09074261       5.04441187      -1.74916582       0.27749925       1.28797038      -0.14403590 
O       6.13975343       4.22867001      -7.02322566       0.11475714       1.06449759      -0.12740132 
O       1.64971784      -0.48295290      -4.56453993       0.85414246      -0.18516819       0.33993231 
O       1.75515980      -1.27866967      -9.76952010      -0.55905730      -0.07765564       0.52638742 
O       6.96616102      -0.46114825      -4.37094947      -1.14856359       1.28138544      -0.36551205 
O       7.00456220      -1.19898293      -9.76091340      -1.02322470      -0.80034198       1.56850787 
O       1.72252617       4.72913639      -4.41938079      -0.45983623       0.00709994      -0.34649524 
O       1.79529169       3.89708674      -9.80235301       0.02989196      -0.79974018       1.19554265 
O       6.95730527       4.80346945      -4.41739103      -0.12467768      -0.81826388       0.18471054 
O       7.01649016       3.95703632      -9.63536504      -0.67550343      -0.20721370       0.13028853 
O       4.22230937       4.22202533      -3.34166543       0.80459584       0.22315550       0.44975145 
O       4.39185229       3.32478198      -8.73007391      -0.71050060      -0.66979297       0.03006378 
O       9.38645161       4.23560774      -3.45855479       1.12456783       0.33992673       1.12666020 
O       9.54318495       3.41914378      -8.63744499      -0.88326485      -1.15711299       0.01806866 
O       4.30522434       9.28223507      -3.51902566       0.81466229       0.90222777       0.49228768 
O       4.20771891       8.42004332      -8.70661067       1.16904192       0.26453169       0.21105923 
O       9.56308392       9.34931691      -3.42786977      -0.35342908      -0.54188979       0.27139790 
O       9.57845948       8.35699271      -8.70333973       0.45945595       1.49172682       0.21559318 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0013432601762253852 -0.0023419770962120386 0.0013935580703238284 -0.0023419770962120386 -0.008125426011708785 0.001786709706555718 0.0013935580703238284 0.001786709706555718 -0.009074283640926288" pbc="T T T" energy=-961.72472251 free_energy=-961.72472251 config_type=crystal 
Hf       2.75256744       2.99844774      -4.11283039       1.37326401      -0.37998126      -0.24729547 
Hf       2.80987189       2.05353259      -9.42491190      -0.05696183       0.80273263       0.31603203 
Hf       8.01455893       3.08164635      -4.11858996      -0.24134249      -0.36748939      -0.15562140 
Hf       7.98386590       2.07717748      -9.40047441       0.21387360       0.57161667      -0.26747908 
Hf       2.82118744       8.18722333      -4.14524485       0.45029032       0.45404999       0.46142107 
Hf       2.81688825       7.21453832      -9.44240398      -0.40313068       0.89450762       1.08141677 
Hf       7.99098460       8.14164129      -4.25522420       0.30456406       0.85735295       0.95507996 
Hf       8.06613262       7.28538318      -9.39347252      -1.40963298      -0.27295804      -1.44042073 
Hf       0.21052182       0.74486989      -3.74179053      -0.87220689       0.29955402       0.85650663 
Hf       0.15282711      -0.16175717      -8.96492453       1.60532380       0.36720276       0.11172427 
Hf       5.52401177       0.78734484      -3.73882170      -1.22375102       1.12606729       0.09498050 
Hf       5.37072104      -0.13859129      -8.93546619       0.98392143       0.36645533      -0.74827803 
Hf       0.19248406       5.94580562      -3.70073146       0.87899451      -0.53307770      -0.51336609 
Hf       0.26075339       5.01265164      -8.91262532      -0.00617946       0.00637527      -1.08310845 
Hf       5.34009066       5.96378577      -3.72828059       0.58323538      -0.51930805       0.68744489 
Hf       5.45858772       4.97016024      -8.95508433      -0.87490921       0.15376371      -0.81480398 
Hf       2.39888855       1.22030303      -1.13830962      -1.43785431       0.36862896       0.14455920 
Hf       2.35461966       0.34851425      -6.33788030      -0.04194901      -0.35325937       0.12381243 
Hf       7.56581664       1.25763554      -1.05312320       0.69246257       0.43869248      -0.38452876 
Hf       7.58973426       0.34118330      -6.39541406       0.16006993       0.32095134       0.72341210 
Hf       2.43648875       6.36802050      -1.09878342      -0.21730939      -0.86851467       0.22738677 
Hf       2.40709523       5.48122544      -6.32674296       0.37080545       0.17157434       0.64263210 
Hf       7.55579707       6.38992070      -1.11234671      -0.04412899      -0.58544843      -0.53828473 
Hf       7.49171794       5.44342217      -6.37789131       1.67869184       0.95978063       0.39438320 
Hf       4.93197567       3.49939137      -1.47829105      -0.05209272       0.27110556      -0.99517874 
Hf       4.97116526       2.53921311      -6.73979681      -0.63424871       0.11177393      -0.08089569 
Hf      10.14951893       3.45796072      -1.53076111       0.77796367      -0.73683968       0.15495880 
Hf      10.19639755       2.61236204      -6.79570224      -0.70011388      -0.62926528       0.69774229 
Hf       4.97956176       8.72615211      -1.53135271       0.72003449      -1.13648541      -0.24690163 
Hf       5.01747875       7.75453109      -6.80161627      -0.79357045      -0.22559220       0.37205499 
Hf      10.21087185       8.52616263      -1.52278938      -0.52391456       2.21995667      -0.75830683 
Hf      10.13487152       7.68352618      -6.78429986       0.67482906       0.12638267       0.36728229 
O       1.32091114       2.35123457      -2.76009788      -0.53494178      -0.36688614      -0.05503411 
O       1.36962708       1.42336545      -7.94187490      -0.75181997       0.24785665      -0.83145266 
O       6.55017143       2.43365619      -2.77900733      -0.76035174      -0.46781607       0.12694606 
O       6.45862181       1.40509444      -8.00257343       0.35996647       0.17014872       0.22359696 
O       1.30485803       7.56688886      -2.82311430      -0.35419524      -0.91266396       0.93295871 
O       1.28603528       6.69914364      -8.00447613       0.27729000      -0.99402218      -0.14637483 
O       6.45903784       7.52902549      -2.85530626       0.53792826       0.01656821       0.62153168 
O       6.46012539       6.58241492      -8.08350259       0.30383481       0.12523742       0.47518074 
O       3.93007443       1.44804185      -5.12235841       0.08005743      -0.01554471      -0.25675321 
O       3.99204620       0.59726582     -10.36294564      -0.33723400      -0.21352413      -0.66737410 
O       9.07246157       1.55211074      -5.04004317       0.80640359      -0.93829109      -0.68988956 
O       9.17851033       0.59848470     -10.34357731      -0.66665409      -0.45322965       0.20691088 
O       4.00256627       6.73980835      -5.04862068      -0.43546438      -0.82519121      -1.20398763 
O       3.87973553       5.68549469     -10.38298895       1.52521522      -0.25245982       0.39294818 
O       9.13861461       6.61862882      -5.19575824       0.22533135      -0.56805199       0.47375451 
O       9.23980922       5.78588661     -10.41780080      -0.10715551      -1.07631831       0.40912862 
O       3.80854871       1.97210071      -2.52886702       0.50505869      -0.65690727       0.99563969 
O       3.84925165       0.95704855      -7.78405342       0.04497979      -0.17431178       0.81786020 
O       8.98440995       1.96343458      -2.42445361       0.61566544      -0.25030376      -0.58698013 
O       8.96814561       1.08334614      -7.76331665       0.86793136      -0.42993525       0.16994252 
O       3.86937121       7.11689328      -2.46404155      -0.46240488      -0.24056799      -0.00211702 
O       3.86967772       6.14574115      -7.68808878      -0.08474294       0.07278162      -0.45529901 
O       9.03776453       7.08535500      -2.58277114      -0.07133433      -0.98037651       0.56265399 
O       8.99877952       6.10822874      -7.82554806       0.33261596      -0.24782412       0.56212293 
O       1.28001348       2.75723836      -0.18332236       0.34361217       0.17194530       0.74563246 
O       1.28262799       1.89283837      -5.38231688      -0.38593995       0.15710222      -0.01140636 
O       6.47913402       2.90942559      -0.11948941       0.03635316      -0.43599957       0.07973804 
O       6.45180048       1.87731185      -5.42400315       0.07642824       0.72111427       0.11444060 
O       1.39980496       7.94999145      -0.12559540      -1.12815180      -0.30929072      -0.35306009 
O       1.28948777       7.05470074      -5.40083498      -0.00760151      -0.22950772       0.41353051 
O       6.55269690       7.96088367      -0.20949465      -0.84245411      -0.15047513       0.24119626 
O       6.51351738       7.16148349      -5.44304407      -0.38276183      -0.70717304      -0.50289071 
O       3.61662812       3.88017118      -5.93005533       0.25869432      -0.51819068      -0.76025668 
O       8.74879806       4.64697832      -0.79247495      -1.20294826       1.35312373       0.29687005 
O       8.71696272       3.78375982      -5.98016937      -0.04604010       0.83814238      -0.88259697 
O       3.52885090       9.86248420      -0.76078439      -0.13949681      -0.02074514       0.00190501 
O       3.51402333       9.00248737      -5.93508385       0.59040402      -0.36714648      -1.32129717 
O       8.67122080       9.83328424      -0.78654800       0.68403365      -0.28911387       0.21803840 
O       8.80718311       8.99003442      -5.99243930      -0.58318064       0.22476027      -0.09996621 
O       0.82841666       0.05081310      -1.83144294       0.66135472      -0.09380928       0.51917965 
O       0.75789066      -0.82318980      -7.07110433       1.05949373       0.11021865       0.68937042 
O       6.13995656       0.10204208      -1.77664322      -0.89477817      -0.43398589      -1.17513092 
O       6.33164462      -1.05353780      -7.11686567      -1.11807523       0.88703058      -0.92068599 
O       0.94757703       5.08479395      -1.81426535       0.50211343       1.72940773      -0.57802254 
O       1.00544827       4.25042311      -7.08613582      -0.41145584       0.20034622      -0.14512553 
O       6.06113973       5.16737436      -1.87330688       0.54079496       0.58752844       0.80593179 
O       6.18833065       4.22166865      -7.10734059      -1.19216474      -0.80673156      -0.51543682 
O       1.71237111      -0.42953114      -4.32890628      -0.04929323       0.58402975      -1.21112538 
O       1.66465898      -1.33598704      -9.66200251       0.13243193       0.03868443      -0.53515522 
O       6.89189608      -0.35324872      -4.55596547       0.46035708      -1.28249964       0.59658487 
O       6.87032967      -1.29658313      -9.76975048      -0.16063941      -0.05050241       1.02964957 
O       1.81044199       4.70408453      -4.42695224      -1.95980140       1.89048010      -0.13678799 
O       1.72394403       3.77649706      -9.70623874       0.10437195       0.36740517      -0.22851641 
O       6.85310848       4.85512112      -4.50727678       0.23215661      -0.93431713       0.26772641 
O       6.95991822       3.85364058      -9.69337542       0.08394784       0.07723973      -0.38254412 
O       4.19840920       4.24644852      -3.34856253       0.68637354       0.80497037       0.62053068 
O       4.34616179       3.26721346      -8.63737674      -0.45112027       0.19673150      -0.27262872 
O       9.51922296       4.20194862      -3.44367021       0.38273567       1.00919114       0.22055565 
O       9.52407481       3.30880003      -8.64770742       0.16212043       0.63044955      -0.11231142 
O       4.34636264       9.45025634      -3.39043540      -0.37484700      -0.47689325       0.22466377 
O       4.25579407       8.51139522      -8.71149344       0.16733490      -0.54301332       1.00687779 
O       9.42154005       9.41076565      -3.40392287       0.05830911      -0.35643008       0.14987659 
O       9.41842234       8.46630205      -8.58950363       0.22282824       0.72282634      -0.38035706 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005635531084888491 0.0016639456757700307 0.002439763312766472 0.0016639456757700307 0.0011200435998772503 -0.000603563893921476 0.002439763312766472 -0.000603563893921476 0.0034426693651576725" pbc="T T T" energy=-961.90678317 free_energy=-961.90678317 config_type=crystal 
Hf       2.86484778       3.03466906      -4.13397111      -1.01289977      -0.40623660      -0.02849855 
Hf       2.79408779       2.16145748      -9.41784878       1.40593420      -1.20260443       0.25479642 
Hf       8.01048053       3.00265421      -4.15030046      -0.04414982      -0.21091936       0.13520322 
Hf       8.07666713       2.11767638      -9.42919194      -1.32446770      -0.31213876      -0.22374823 
Hf       2.88789303       8.18159346      -4.13743315      -1.12303754       0.05212329       0.91311623 
Hf       2.86087796       7.20031132      -9.43108897      -0.49276566       1.09266418      -0.51198573 
Hf       7.97866763       8.16876501      -4.16540177      -0.11075172       0.01954449      -0.01566105 
Hf       8.05884289       7.23007869      -9.41835512      -0.03769154       0.54622220       0.44739237 
Hf       0.23543151       0.74103018      -3.64460731       0.22184596       0.24110288      -1.23138418 
Hf       0.27423656      -0.13172203      -8.93444879      -0.27720952      -0.49828122      -0.24047182 
Hf       5.42489542       0.77932035      -3.72669500       0.41228093      -0.23900749       0.36712242 
Hf       5.42342758      -0.13643772      -8.98376164      -0.70528407       0.90446854       0.40316392 
Hf       0.20206287       5.89816189      -3.78205713       0.57432066       1.53329802       1.62848597 
Hf       0.28828777       4.96380046      -9.03518185      -0.54209315       1.21103823       0.98712840 
Hf       5.44667431       5.92161759      -3.69601197      -0.52297772       0.46689718       0.09666135 
Hf       5.42921633       5.02536388      -8.95302758       0.21513347       0.24727587       0.26678596 
Hf       2.33036186       1.27251874      -1.01947954       1.16161370      -1.34839290      -1.15124240 
Hf       2.31486286       0.38153608      -6.35101685       0.77902169      -0.95456803       0.75214169 
Hf       7.59215032       1.25766302      -1.09007885      -0.70094802      -0.39649531       0.17133864 
Hf       7.53102380       0.44831937      -6.38595649      -0.12377992      -2.27401925       0.30712909 
Hf       2.38357482       6.35386237      -1.13133271      -0.03493406       0.82537316      -0.75126885 
Hf       2.35596292       5.55135809      -6.33084323      -0.01803318      -1.04851055      -0.44245488 
Hf       7.55350674       6.41586897      -1.05903135       0.68014336      -0.68722744      -0.01110709 
Hf       7.61193375       5.47596042      -6.38294556      -1.18743392       0.28575066       0.85766450 
Hf       4.93989723       3.57108755      -1.50299934      -0.93302070      -1.00464409       0.70183473 
Hf       4.92049865       2.57468481      -6.80913070       1.16745267      -0.69949390      -0.00229885 
Hf      10.14493411       3.42820283      -1.55989109       0.46796323       0.45368963      -0.29110849 
Hf      10.09391443       2.52131823      -6.75688693       1.24079560       0.71852387      -0.25239133 
Hf       5.08024892       8.58450940      -1.49886610      -2.19827854       0.39965545      -0.05360808 
Hf       4.92613289       7.74340842      -6.76069833       1.00747254       0.46074786       0.28110701 
Hf      10.10084694       8.60728959      -1.59612851       1.74730691      -1.04031290       0.12530801 
Hf      10.12063744       7.68387025      -6.74151481       0.58228338       0.58608359      -0.60508082 
O       1.33609302       2.30986834      -2.68700730      -0.15543207       0.69560550      -0.39113727 
O       1.37698694       1.52252671      -7.92147720      -1.22827997      -0.25655931      -0.48290844 
O       6.58812302       2.33393526      -2.73344897      -0.41856314      -0.19189639      -0.15862159 
O       6.57849060       1.51043432      -8.00259821      -0.17840969      -0.32422009      -0.26679436 
O       1.34253220       7.54183335      -2.80294972      -0.08458744      -0.66412006       0.28936445 
O       1.36722276       6.55015257      -7.99841121       0.35900140      -0.02018394      -0.04694491 
O       6.53685793       7.56016859      -2.63266068       0.30226757      -0.45547086      -0.73386820 
O       6.58505903       6.61902276      -7.94345240       0.20597405       0.12369273      -0.09408171 
O       3.99461946       1.48074459      -5.12564058      -0.54235920      -0.27190524       0.43486073 
O       3.84761341       0.56378325     -10.37869337       0.47800723       0.61741089       0.10167039 
O       9.11630727       1.43027133      -5.15669050       0.00976101      -0.11334886      -0.24129132 
O       9.18562747       0.49322870     -10.40368151      -0.71543117       0.15020613      -0.13679619 
O       3.90205534       6.51874643      -5.09959335       0.08886942       0.19388252      -0.36531138 
O       3.93019454       5.69273657     -10.45139816       0.57380998      -0.55964521       0.85217898 
O       9.13936343       6.63451494      -5.04506854      -0.64250050      -0.90221598      -1.30833061 
O       9.09648040       5.60878449     -10.42226660       0.34471169       0.30518382       0.72099757 
O       3.81138495       1.91866645      -2.45199160       0.73471921       0.24672113      -0.57648911 
O       3.81822602       0.97659198      -7.76533665       0.25045511       0.26150137       0.08687661 
O       9.06367398       1.78738934      -2.52578478      -0.03035021       0.89772526       0.20735319 
O       9.02580198       0.89597697      -7.82431497       0.71860510       0.75993782       0.52453151 
O       3.86212928       6.98391354      -2.51471548       0.29218820       0.29549853      -0.05929426 
O       3.93199778       6.22308033      -7.76411102      -0.85478897      -0.91126800      -0.06742245 
O       9.05608034       7.02944495      -2.47958903      -0.60896793      -0.40914221      -0.21671480 
O       9.11187051       6.11058633      -7.76183849      -0.47745122      -0.37597298       0.19270177 
O       1.22509786       2.80801511      -0.16134359      -0.09344175       0.56513688       1.25197871 
O       1.26497904       1.83563849      -5.28308047      -0.49392051       1.07600971      -0.69084190 
O       6.34028882       2.81657357      -0.14527612       1.05735065      -0.35796844       0.19308034 
O       6.46080367       1.87406685      -5.41142629      -0.27039750       0.84236713       0.79333351 
O       1.24502499       7.94643763      -0.06378990      -0.08305403      -0.27334856      -0.75967957 
O       1.22671563       7.01541454      -5.39503382       0.11116721       0.42220285      -0.13682399 
O       6.49627458       7.95027379      -0.02142445      -0.30583572       0.08616702      -0.28202909 
O       6.40800383       6.99520850      -5.24290093       0.18969800       0.32068563      -1.13757967 
O       3.47254506       3.69895460      -6.11766445      -1.30722357       1.34798533       0.92052212 
O       8.57560099       4.57604660      -0.85840991       0.23162625       0.22925876      -0.10731808 
O       8.51637880       3.68524263      -6.08632272       1.10239142      -0.06490166      -0.60638955 
O       3.42979347       9.79624869      -0.83676327       0.48637658      -0.23171120       0.19288607 
O       3.41556240       8.86475049      -5.98859189       0.35773153       0.23884488      -0.92540400 
O       8.70736250       9.77540052      -0.84461854      -0.90715069       0.66773367       0.82278603 
O       8.55779036       8.79620984      -6.11035720       0.15588944       0.76028538      -0.25480014 
O       0.89558732      -0.05485749      -1.90946260       0.35553966       0.53598773       1.31821952 
O       0.95750818      -0.91550570      -7.13718798      -0.41349205       0.25352879       0.76269406 
O       6.15056515      -0.05724533      -1.77030308       0.44814983       1.40191645      -0.45317878 
O       5.88433140      -0.73304820      -6.90681659       0.58925726      -0.09569750      -1.38461339 
O       0.89306986       5.17084130      -1.83627395      -0.14128134      -0.29318125       0.24029501 
O       0.81845060       4.29082141      -7.08368687       0.12784894      -0.52885295       0.34905725 
O       5.95038479       5.31185231      -1.71763393       0.07876683      -0.56853532      -0.18755601 
O       6.04163216       4.31863609      -7.02451744       0.16698015       0.19110102      -0.18190666 
O       1.66932859      -0.43914757      -4.42754363       0.78613807      -0.38958396      -0.62980065 
O       1.78300029      -1.29876189      -9.62263718      -0.37348771       0.12349777      -0.46288798 
O       6.85947638      -0.48568641      -4.53137677      -0.28350643       1.11523970       0.75515535 
O       6.88981095      -1.30855447      -9.68624248       1.10849191      -0.32611560      -0.05278867 
O       1.65495081       4.76086321      -4.46068116       1.50863179      -1.48236423      -0.51180193 
O       1.78227369       3.82182024      -9.75894212      -0.21947812       0.19043484       0.10771087 
O       6.93193539       4.68620106      -4.37399432      -0.20573768       0.42748606      -0.08120463 
O       6.87766906       3.79792848      -9.66252082       0.64240490       0.12653882      -0.19835040 
O       4.29076012       4.25260847      -3.37659825       0.05650377      -0.16407375      -0.26872862 
O       4.37753508       3.31651141      -8.69450370      -1.09275023      -0.42797285      -0.53240556 
O       9.53239816       4.23085389      -3.46700923      -0.77007123      -1.40937164       0.12720280 
O       9.53628455       3.27914356      -8.72573580       0.04933337      -0.31238599       0.31960052 
O       4.37321979       9.37967686      -3.38474891      -0.47511872      -0.55703746      -0.25324920 
O       4.39076619       8.45552961      -8.78639002      -0.34516240      -0.57866418       0.90908280 
O       9.49637252       9.32371701      -3.50623963      -0.24633938       0.02782549       0.37006580 
O       9.56989694       8.39995776      -8.65491629      -0.31434941       0.37451502      -0.65534729 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005807187465608037 0.0005118307428493966 -0.0019099683145245407 0.0005118307428493966 -4.531841187630442e-06 0.001495167554500868 -0.0019099683145245407 0.001495167554500868 -0.0035976229556526056" pbc="T T T" energy=-961.30721048 free_energy=-961.30721048 config_type=crystal 
Hf       2.76707053       3.01771629      -4.17982233       1.19305297       0.14268549       0.35678667 
Hf       2.92179584       2.13124484      -9.37889476      -1.40857852       0.43560048      -0.74296901 
Hf       8.05084652       2.90399313      -4.14660006      -0.77412094       0.82083090       0.77397916 
Hf       7.92742259       2.11689469      -9.44059809       2.18887072       0.33574039       0.24305193 
Hf       2.87256891       8.19330270      -4.19749093      -1.14038584       0.05653010      -0.28664906 
Hf       2.81017810       7.27390735      -9.35261842       0.25236702      -0.27929350      -0.84816944 
Hf       8.00070108       8.20410165      -4.11926052       0.58418840       0.17880786      -0.14353553 
Hf       8.01441368       7.26471689      -9.35874068       0.42578107      -1.22034389      -0.29200802 
Hf       0.28940483       0.78764352      -3.81128047      -0.86798855      -0.63273067       1.69204157 
Hf       0.30474933      -0.11205137      -8.98653117      -1.47814967       0.40713281      -0.84084134 
Hf       5.35204615       0.81397894      -3.66007855       0.21011294       0.52989249      -0.09256054 
Hf       5.43086620      -0.08092385      -8.89277354      -0.21883266      -1.14906243      -1.15148606 
Hf       0.24271885       5.99832399      -3.71599553      -1.25548355      -0.77739615      -0.75312565 
Hf       0.29965226       4.95478777      -9.02518025      -1.78724992      -0.04114914       1.43267416 
Hf       5.33002028       5.96236768      -3.70096142       2.13027895      -1.12930074      -0.54421557 
Hf       5.40591235       5.04051192      -9.05106776       0.39324023       0.28068485       0.81080768 
Hf       2.39738466       1.21957188      -1.08434175       0.48803430       0.36614881      -0.73937350 
Hf       2.35236881       0.48333251      -6.40404186       0.15950832      -2.01611454       0.60226381 
Hf       7.50778351       1.13068097      -1.10513029       1.49972638       0.81654489      -0.43008042 
Hf       7.52881950       0.33691182      -6.31620783       0.39502171      -0.24024770       0.59303876 
Hf       2.37243040       6.27775875      -1.15328272       0.28600554       0.46607710       0.69020200 
Hf       2.33830836       5.45914714      -6.30307443      -0.46333050       0.15076811      -0.90484541 
Hf       7.63592214       6.41061485      -1.06960765      -0.14143785      -0.19653712       0.02205645 
Hf       7.62126777       5.44034085      -6.28610811      -0.90530261       0.45238574       0.16626509 
Hf       4.97311448       3.62751757      -1.39140889      -0.44245222      -1.03206948      -1.58648639 
Hf       5.00096006       2.60886551      -6.81173138      -0.17959443       0.07735077       0.99344139 
Hf      10.14781284       3.44796183      -1.50952325      -0.61433171      -0.42329057      -1.31531576 
Hf      10.09307074       2.53946464      -6.83055063       0.24260076       1.53235163      -0.11484436 
Hf       4.97408431       8.54797945      -1.52787922      -0.87175994       0.26916356      -0.17059840 
Hf       4.92647494       7.71982178      -6.77469498       0.35269800      -1.25234838      -0.44528736 
Hf      10.25288418       8.55568433      -1.49441869      -0.67057310       1.14012932      -0.93068295 
Hf      10.13255106       7.72064806      -6.85462553      -0.00245912      -0.16288242       1.12746181 
O       1.33572853       2.36093354      -2.85416338       0.59910281      -0.01672136       0.49340934 
O       1.34124443       1.52843500      -8.09199872      -0.36847168      -0.27678181       0.61638321 
O       6.52594656       2.27694946      -2.72460328       0.72624454       0.31820486       0.29937772 
O       6.50025147       1.46855172      -7.97245449      -0.23904963      -0.14328156       0.28412987 
O       1.39465179       7.54899216      -2.75702551      -0.13816006      -0.21879733       0.14918145 
O       1.24902328       6.60689428      -8.05114588       0.49258394       0.51407560       0.25214527 
O       6.51260937       7.52480022      -2.72715660       0.02288860      -0.08647103      -0.42205998 
O       6.41933123       6.59781920      -8.03830009       0.60176442       0.01751422      -0.15353688 
O       3.95886926       1.43387832      -5.21556770      -0.78152234       0.13859187       0.82492147 
O       3.94197475       0.63371796     -10.39161528       0.75859217      -0.04928222       0.61738449 
O       9.16353168       1.34305597      -5.10024051      -0.58766709       0.30375687      -1.16084146 
O       9.09297731       2.34659187      -0.00685331       0.16976080      -0.49661764       1.53329156 
O       3.94839211       6.51227522      -5.16129437      -0.65868953       0.61451934      -0.15766470 
O       3.91038098       5.61060487     -10.44357543      -0.52755833       0.38819619       0.30844934 
O       9.07540608       6.65430863      -5.11975185       0.09924734      -0.77935239       0.00641982 
O       9.12745190       5.65594360     -10.26702941      -0.43179327       0.20763677      -1.23785941 
O       3.97158501       1.89860590      -2.39927877      -1.02092577       0.08083547      -0.51301040 
O       3.78718626       0.97277553      -7.78062960       1.52537105       0.08293662      -0.37105301 
O       9.12562165       1.84343982      -2.53120277      -0.68513620      -0.35854677       0.31725201 
O       9.02775348       1.07427172      -7.75897099      -0.63148258      -1.22903998      -0.30758331 
O       3.81168242       6.91242921      -2.61960625       0.34662651       0.72867045       0.95847893 
O       3.72242823       6.15275017      -7.74565215       0.83477620       0.13482408      -0.50880039 
O       9.06381030       6.98572170      -2.49003239       0.36644896       0.54780750       0.01227402 
O       9.03952725       6.16703299      -7.78055231      -0.61994707      -0.02845528       0.99520155 
O       1.20748683       2.76122444      -0.19468137       0.77903541       0.12796581       0.47063109 
O       1.24026427       1.91834419      -5.44919637      -0.00403150       0.51041878       0.15649271 
O       6.53283699       2.91402498      -0.10026316      -1.35986549      -1.23128772      -0.11652744 
O       6.37867577       1.87068717      -5.33072131       0.65501686       0.29735125      -0.69355170 
O       1.19985630       7.77720315      -0.09043387       1.23558902       1.02304878      -1.00778358 
O       1.15078232       7.03462009      -5.35039143       1.00516783       0.12183285      -0.43328683 
O       6.36317553       7.89275862      -0.17419021       1.12836159       0.23428495       0.80375113 
O       6.40947988       7.09952481      -5.39399658       0.27167228      -0.33268626       0.63981033 
O       3.38727856       3.70764859      -6.15782204       0.25242529       0.01770140       0.58546485 
O       8.75169322       4.69442919      -0.73501323      -0.30845793       0.52774250      -0.44642620 
O       8.61790497       3.70907820      -6.03476915       0.60512246      -0.54860089      -0.31619835 
O       3.49243105       9.80751268      -0.76127740       0.23234773      -0.66799567       0.16767307 
O       3.44913843       8.89697127      -6.09977639      -0.19158222       0.33178271       0.25360677 
O       8.62455819       9.67605105      -0.85415098       0.29906611       0.14160277      -0.16171046 
O       8.58600230       8.88645923      -6.02994309       0.16029351       0.58772674      -0.59183248 
O       0.95961107       0.04454683      -1.76787807      -0.84692982      -0.70941159      -0.47097776 
O       0.85981000      -0.79969521      -7.11702413       0.25825536       0.01766786       0.28765534 
O       6.05587258      -0.05641824      -1.80433831      -0.11321859       0.21398635       0.24834290 
O       6.08297015      -0.93045292      -7.09048568       0.41075048       1.24490433       0.09261420 
O       0.84368634       5.22578187      -1.90629773       0.47992460      -0.58558596       0.76288432 
O       0.83215457       4.32042757      -7.08244056       0.10549641      -0.54974432       0.17013736 
O       6.11823004       5.23193388      -1.78210279      -0.47949042      -0.17339519      -0.02731861 
O       6.08047929       4.27655476      -7.06445641       0.02813420       0.24537731      -0.15984340 
O       1.74446601      -0.38298898      -4.49737063       0.81257062      -0.13164214      -0.32644237 
O       1.75504353      -1.28862698      -9.71129729      -0.04421991      -0.18963263       0.60377877 
O       6.93037913      -0.29491386      -4.31294497       0.76044887      -1.11317661      -0.79974922 
O       6.96907477      -1.37843290      -9.70559285      -1.51805902       2.03371119       0.17676467 
O       1.77200205       4.73725389      -4.43518858      -0.57990244       0.32050030       0.19763209 
O       1.69158959       3.72062594      -9.75286606       0.84148912      -0.37348157      -0.61943598 
O       6.96036334       4.67502874      -4.40830719      -0.99477778       0.84881746      -0.02178938 
O       6.91489614       3.84606371      -9.71511184      -0.56116152       0.15138554       0.23566875 
O       4.23101862       4.25070803      -3.31033546       0.12280698      -0.21193946      -0.02232611 
O       4.32750612       3.35608305      -8.67007672      -0.19256460      -0.62295752      -0.35774756 
O       9.50396907       4.12367333      -3.50903824       0.93570318       1.11750982       0.61622662 
O       9.37733652       3.40680768      -8.63747145       0.48273651      -0.59561719       0.09042066 
O       4.27462825       9.35908713      -3.37739472      -0.14912842      -0.34833341      -0.36715276 
O       4.30868597       8.49892214      -8.70478104      -0.13371907      -0.17879315       0.20165564 
O       9.75984255       9.25126740      -3.51971828      -1.54584328      -0.41461823       0.47426629 
O       9.55506116       8.44249684      -8.70824078      -0.29156216       0.63876163      -0.38864912 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0017871090570341197 0.002873364727854603 -0.0011658174546744704 0.002873364727854603 -0.005607536830436317 0.0011455407139092865 -0.0011658174546744704 0.0011455407139092865 -0.007901574492878783" pbc="T T T" energy=-961.64166814 free_energy=-961.64166814 config_type=crystal 
Hf       2.81711809       3.05734041      -4.08222150      -0.25721355      -0.52676294      -1.15022911 
Hf       2.82482675       2.08739423      -9.34306110       0.54862652       1.37359440      -0.40989263 
Hf       7.97487403       2.99711644      -4.14212103       0.58440735       0.42285226      -0.23588173 
Hf       8.07021320       2.07571630      -9.45021054      -0.46288016       0.87223704       0.21250840 
Hf       2.73424208       8.16831310      -4.19328471       0.45243218      -0.30965533       0.24331043 
Hf       2.80765149       7.26826447      -9.41487869       0.22945103       0.28606457       0.21113967 
Hf       8.04820271       8.18277160      -4.12097821      -0.15281231       0.25781286      -0.79447331 
Hf       7.96721524       7.21076744      -9.43763021       0.99175125       0.10179835       1.13589321 
Hf       0.18808190       0.80201343      -3.66112315       0.65261998       0.55931254      -1.25960817 
Hf       0.14275632      -0.05765162      -8.97027258       0.98488999      -1.93969636       0.44222171 
Hf       5.39446328       0.78051729      -3.73848558      -0.03959065       0.11345377       0.56135603 
Hf       5.45143763      -0.12885480      -9.03840259       0.39896679      -0.03064361       1.02888271 
Hf       0.20005962       5.87515208      -3.71717496       0.40704705       0.56906146      -0.45801970 
Hf       0.20299945       5.04082265      -8.97436099      -0.15556825      -0.11832686       0.15319035 
Hf       5.48602713       5.96034191      -3.77275728      -2.33341329       0.27205834       0.42684659 
Hf       5.43962231       5.09181703      -8.94646566       0.14224253      -1.34575624      -0.32822405 
Hf       2.37096484       1.24814871      -1.02414516       0.26518819       0.00377467      -1.06506409 
Hf       2.41087044       0.29478365      -6.32346982      -0.75333771       0.15525809      -0.74581371 
Hf       7.60033018       1.22297695      -1.10275096      -0.67617446      -0.01313365       0.56235360 
Hf       7.58243020       0.34312225      -6.38487525      -0.87838617      -0.07662710      -0.23403395 
Hf       2.44297884       6.36099296      -1.03777597      -0.57057129      -0.51643944      -0.90654186 
Hf       2.36958969       5.47960008      -6.38800579       0.36387276      -0.09492586       0.72051300 
Hf       7.52790474       6.30544963      -1.11891924       1.19462397       0.19668796       0.89110475 
Hf       7.56190698       5.46552764      -6.28062891       1.52451247       0.49299942      -0.95420652 
Hf       4.90053058       3.47393877      -1.58439284       0.11207570       0.34051842       0.66132942 
Hf       4.99084573       2.63904613      -6.70867643       0.06120693      -1.06303004      -1.52468763 
Hf      10.21812802       3.40724582      -1.59264798      -0.67549842       1.53955843       0.27540008 
Hf      10.20879857       2.55884998      -6.77113654      -0.24095503       0.50734129       0.21772597 
Hf       4.93965264       8.63297071      -1.55550426       0.00281910      -0.39605767       0.84130550 
Hf       5.04516681       7.69965123      -6.79492036      -1.14693702       0.41277982      -0.07439071 
Hf      10.16377275       8.64563390      -1.53499169       0.12351821      -0.72928659       0.82779160 
Hf      10.13436458       7.75751938      -6.78427172       0.04806119      -1.37291515      -0.38157536 
O       1.37481391       2.40193664      -2.74888850      -1.25490871      -0.34152221       0.07048221 
O       1.28627249       1.41644341      -8.01782112       0.49587821       0.11315987      -0.10374016 
O       6.44271261       2.44418376      -2.80688176      -0.12857198      -0.78216697       0.22852822 
O       6.61335606       1.41020959      -8.06390587      -0.48863017       0.04424197       0.49787148 
O       1.25602167       7.59309522      -2.80052482       0.61148351      -0.16566103       0.05282636 
O       1.40876732       6.55822400      -7.95556640      -0.13149818       0.31270656      -0.75721826 
O       6.59264436       7.41086526      -2.81856839       0.03731049       1.03839270       0.72671659 
O       6.56194519       6.59376690      -7.95978333      -0.14796124       0.12993067       0.00537795 
O       3.87479037       1.45775576      -5.00468917       0.89835569      -0.43407427      -0.88531740 
O       3.98893753       0.59912509     -10.42918869      -0.31109306       0.37199215       0.29280473 
O       9.06078756       1.47129789      -5.05160264       0.69165865      -0.71466562      -0.79023125 
O       9.19766546       0.49432161     -10.41278782      -0.74184337       0.25496802      -0.34098456 
O       3.99511529       6.56722297      -5.18853772      -0.88307735       0.13999624       0.33768842 
O       3.93329760       5.70070354     -10.42040484       0.26122731       0.16413607       0.23956936 
O       9.07674954       6.63322519      -5.13190113       0.08189281       0.19879963       0.54956900 
O       9.02988006       5.65659489     -10.35100228       1.15373394      -0.00497351      -0.58818809 
O       3.80603530       1.91524772      -2.53075009       0.66238207       0.03167090       0.84489014 
O       3.89249959       0.98160092      -7.70897833       0.01743924       0.37916523      -0.17835235 
O       8.98470971       1.93380804      -2.54179303       0.42224932      -0.28248217       0.59371883 
O       9.06441200       0.97990298      -7.76202477       0.43709243       0.16235172       0.06331152 
O       3.87127284       6.98229874      -2.51009439      -0.24578059       0.70347633      -0.07424450 
O       3.95804417       6.17473566      -7.78774301      -0.63503371      -0.67396352      -0.11105631 
O       9.11891107       7.08083273      -2.53381962      -0.84860916      -0.08175115       0.42988113 
O       9.09205777       6.00311027      -7.69044175       0.00218504       0.62337034      -0.40743894 
O       1.20609443       2.76067271      -0.19495922       0.88936429       0.60619848       1.42006806 
O       1.27687592       1.77303013      -5.41706300      -0.92259083       1.54283568       0.24758586 
O       6.57609439       2.76720080      -0.10309726      -0.91757639       0.23148191      -0.89859705 
O       6.51173129       1.91240165      -5.42604132      -0.85891038       0.26738705       0.41650870 
O       1.23622847       7.87664297      -0.10845823      -0.11757021       0.85632413      -0.23105305 
O       1.21751679       6.99732140      -5.39673324       0.76019796      -0.03111030       0.51993467 
O       6.50996141       7.96869566      -0.10754710      -1.18608827      -0.63875661      -0.52226337 
O       6.42880717       7.10096345      -5.36709996       0.88592913      -0.14506798       0.10613428 
O       3.53245291       3.74786336      -6.03036909      -0.34247247       0.70102293       0.33859910 
O       8.73554275       4.68003173      -0.85050958      -0.32824306      -0.43511164       0.14901861 
O       8.71439912       3.77567446      -5.97109518       0.22690650      -0.12041446      -0.52463345 
O       3.53768317       9.89351367      -0.78005045      -0.05550361      -0.83316277       0.32369539 
O       3.48076836       8.90622416      -6.05619339       0.32569449      -0.43436823       0.74828238 
O       8.64893309       9.84588311      -0.70955257       1.30213468      -0.62959316      -0.93590013 
O       8.69128581       8.96192856      -6.12993407      -0.38735875      -0.04732731       1.53886851 
O       0.95285042       0.06615639      -1.86686971      -0.45273135      -0.42880357       0.37252988 
O       0.92281987      -0.96945831      -7.03385645       0.46018435       1.33628320      -0.83812056 
O       6.08641215       0.01767813      -1.71143953       0.18520969       0.66315376      -1.27047373 
O       6.06153186      -0.89594171      -7.13444943       0.72991163       0.83233192       0.24790709 
O       0.88274928       5.20362097      -1.89912383       0.87453728      -0.23522663       0.78661890 
O       0.91188897       4.26018344      -7.07715341      -0.11634909      -0.49385231      -0.30888357 
O       5.99613035       5.20138213      -1.86363816       0.30380670      -0.54193288       0.72412796 
O       6.18580342       4.26077055      -7.06567301      -0.93996936      -0.24333317      -0.22998568 
O       1.54841787      -0.42723654      -4.50887097       1.21012978      -1.36690381       0.52047909 
O       1.65229360      -1.32759519      -9.74115130      -0.13399929      -0.00352625       0.51819241 
O       6.80592896      -0.43572127      -4.52059236       0.55980732      -0.32908573       0.38062622 
O       6.95437749      -1.35167439      -9.66166281      -0.85334397       0.86253307      -0.24787567 
O       1.63756348       4.60540356      -4.54252629      -0.65954099       1.21927364      -0.02651373 
O       1.81285669       3.89038812      -9.70270886       0.15832989      -1.15909644       0.42500225 
O       6.91880694       4.77288077      -4.42701839      -0.07078309      -0.71322673       0.03659252 
O       6.99007366       3.79641167      -9.63109676      -0.77541908       0.71038138      -0.83841372 
O       4.07956553       4.37725789      -3.30411817       1.13663528      -0.22289621       0.23468792 
O       4.31836412       3.35543083      -8.62971940      -0.13543321      -0.30100532      -0.16096918 
O       9.45635149       4.24083474      -3.38795085      -0.22873767      -0.33713571      -0.42521510 
O       9.60574845       3.28243925      -8.75949728      -0.09085077      -0.57951055       0.62576204 
O       4.29158261       9.38791716      -3.31998120      -0.84082431      -0.29652926      -1.23965095 
O       4.26119339       8.49451757      -8.69956299       0.10616698      -0.07412504      -0.03943439 
O       9.41869529       9.49522297      -3.25577894      -0.95972742      -0.60816217      -1.10460340 
O       9.45184969       8.42593793      -8.63088696       0.48680652       0.31318321      -0.32907833 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.001773359624097693 -0.0021647969674330678 -0.0018251932789656146 -0.0021647969674330678 -0.0017937119807459373 0.001747815917200032 -0.0018251932789656146 0.001747815917200032 -0.004812824903255511" pbc="T T T" energy=-962.01246395 free_energy=-962.01246395 config_type=crystal 
Hf       2.79677711       3.04772413      -4.06572172      -0.45586633       0.06226618      -1.51750757 
Hf       2.91201920       2.11467005      -9.34187663      -1.38319649       0.18271421       0.15479255 
Hf       7.97019933       2.90941404      -4.12646109       0.82674197       0.43913415      -0.34464154 
Hf       8.05205283       2.08549666      -9.44447764      -0.80567575       0.26779300      -0.41253665 
Hf       2.78144966       8.19696602      -4.24633073       0.51166211      -1.18189840       1.47528557 
Hf       2.81864452       7.27582843      -9.36629133      -0.76505161      -0.19114849      -0.75526760 
Hf       8.06515666       8.21413966      -4.13250638      -0.79441989      -0.06368861       0.97550777 
Hf       7.93168719       7.21327279      -9.38315842       2.04553166      -0.02404532      -0.82108016 
Hf       0.22740096       0.81120194      -3.73251715       0.10253205      -0.20720933      -0.06513520 
Hf       0.18916966      -0.06729769      -9.01440213       0.56905059       0.24576687       0.77305219 
Hf       5.37605854       0.84861650      -3.71500858       0.18833090      -1.49951705      -0.25553114 
Hf       5.45186842      -0.12391091      -8.98667786      -0.05608995       0.59234197       0.19128482 
Hf       0.21831122       5.90936167      -3.72069874       0.18476294       0.26017729       0.57175771 
Hf       0.24699840       4.99040535      -8.98807769       0.32055735       0.17257986      -0.30968346 
Hf       5.38275664       5.94040140      -3.80036889       0.59098960       0.73998266       1.54792228 
Hf       5.39901319       5.08764346      -8.96213232       0.20455858      -1.00726580      -0.69277591 
Hf       2.38435814       1.24421518      -1.03319372      -0.67375346      -0.31648398       0.08718026 
Hf       2.37807970       0.31603115      -6.33855475       0.38438306       1.34389427      -0.25380083 
Hf       7.60428276       1.20360572      -1.11645296      -0.78623008      -0.24341814      -0.39695380 
Hf       7.56082213       0.34706162      -6.36788089      -0.02886757       0.12510459       0.95859261 
Hf       2.40237169       6.30727422      -1.04482312       0.02870538       0.55105753      -0.59040003 
Hf       2.36304401       5.45091469      -6.38838822      -0.33770461       0.18314497       0.71354602 
Hf       7.56752065       6.31086925      -1.07040968       0.16676629       0.52276323      -0.88761014 
Hf       7.56871096       5.41825235      -6.26699274       0.92995317       0.43491515      -0.42323861 
Hf       4.89957935       3.55148322      -1.59015168       0.99430250      -0.19097612       2.06955045 
Hf       5.02057153       2.66567315      -6.77249563      -1.29085670      -1.18859068       0.78946185 
Hf      10.22433435       3.40802453      -1.57339117      -0.56094204       0.60549858       0.49435901 
Hf      10.12852877       2.57435261      -6.79719521       1.34590255      -0.67146668       0.48619011 
Hf       4.91711786       8.58583144      -1.51055819       0.64017875       0.24505250      -1.54659910 
Hf       4.99321866       7.68523971      -6.79647424      -0.24697531       0.56957355       0.59312242 
Hf      10.20043636       8.63051941      -1.50358423       0.45871876      -0.79022331      -0.24245950 
Hf      10.11835313       7.77293784      -6.81974081       0.33481626      -0.13536614       0.21012637 
O       1.26073678       2.29465103      -2.68954686       1.39574664       0.72012829      -0.03993248 
O       1.40080606       1.41647632      -7.99815867      -0.39564202       0.43430612       0.37637538 
O       6.46427684       2.42471669      -2.80176462       0.55002672      -0.22356086       0.39301941 
O       6.56908977       1.53464590      -8.00579322      -0.08821973      -0.58063219      -0.14917182 
O       1.40135571       7.42402045      -2.77549940      -0.63541115       0.22202421      -0.00826652 
O       1.36740521       6.50340323      -8.06571975      -0.28924800       0.82221059       0.58500018 
O       6.56504441       7.49148764      -2.70523075      -0.08569134      -0.24656972      -0.81337116 
O       6.47413868       6.65772915      -8.01064901       0.05222643      -0.25379748       0.10083247 
O       3.96245194       1.50430327      -5.12949157      -1.01060927       0.40222540       0.58892925 
O       3.92543122       0.64449123     -10.33159321       0.78560960      -0.74102573      -0.29175016 
O       9.17349275       1.37681719      -5.15496472      -0.76423137       0.37414476      -0.18921463 
O       9.11719231       0.52744873     -10.45766606       0.42695660      -0.36709093       0.50253531 
O       3.91361194       6.58732944      -5.15248260       0.71894497       0.21394035      -0.12800602 
O       3.97189672       5.73612598     -10.34602279      -0.64070755      -0.17258875       0.04224535 
O       9.19696629       6.58554176      -5.08345774      -0.65595707       0.22960228      -0.58936056 
O       9.24910895       5.67612739     -10.37544627      -1.44379981      -0.16874919       0.17704363 
O       3.89113150       1.87659960      -2.39301811      -0.95969272       0.21818898      -0.94372595 
O       3.87803069       1.07562142      -7.68812690       0.65215046      -0.54456480      -0.18984692 
O       9.06186056       1.86236415      -2.54314445      -0.53686076      -0.32595557       0.24475250 
O       9.10625528       0.94644718      -7.74596139      -0.82194420       0.05474521      -0.28151800 
O       3.87925955       6.98276213      -2.45971919       0.27990275      -0.05893071      -0.03857769 
O       3.86876400       6.07615718      -7.73705826       0.35145475       0.76818054      -0.26513477 
O       9.11206896       7.05926565      -2.43848334      -0.14859491      -0.24337434      -0.58904083 
O       9.03145503       6.13269548      -7.79118164      -0.23802850      -0.06111788       0.69972247 
O       1.30946134       2.85919617      -0.02957479      -0.69404885      -0.44242761      -1.10194557 
O       1.24875844       2.09866211      -5.32090641       0.41158865      -1.11350549      -0.10064306 
O       6.47698739       2.76262923      -0.20901729      -0.23525436      -0.17710595       0.80062220 
O       6.42663872       1.89504020      -5.32624470       0.74376572       0.21057837      -0.91840285 
O       1.30282756       8.01346218      -0.11982848       0.32890798      -0.89569464      -0.05482353 
O       1.30921364       7.09995448      -5.47115456      -0.53024477       0.14038680      -0.26894633 
O       6.40409916       7.91398012      -0.13437924       0.93630084       0.39894585       0.51274454 
O       6.51655810       7.04808060      -5.42439304      -0.46071762      -0.29955766       0.59251888 
O       3.60589110       3.92467253      -5.88232282       0.24563705      -1.02641866      -0.58251734 
O       8.66322494       4.56122679      -0.85408104       0.00536058       0.84743930       0.00337602 
O       8.72884662       3.76559142      -6.02158325      -0.51724604       0.01706164      -0.09399072 
O       3.44685059       9.79374541      -0.78445250       0.19800813       0.43123024       0.21683213 
O       3.56412305       8.95931861      -6.03321339      -0.39037308       0.04381576      -0.69164998 
O       8.73751109       9.76761144      -0.79071274      -1.06394695       0.64692839       0.42836974 
O       8.65485920       8.94335281      -5.96049232       0.72419905      -0.46136140      -1.03720319 
O       0.91664990       0.00294608      -1.83747374       0.54628121       0.75913905       0.14492469 
O       0.87888357      -0.78671514      -7.10957144      -0.42520498      -1.30788354       0.57550362 
O       6.05181153       0.09130300      -1.91100671       0.24334875      -0.72523051       1.32913349 
O       6.08772714      -0.82693176      -7.07116891      -0.13715929      -0.42298007      -0.58509759 
O       1.04590559       5.04196431      -1.81214770      -0.67699609       0.16296331      -0.40187580 
O       0.91643150       4.21601631      -7.12599194       0.03655818       0.22548362       0.31181629 
O       6.00945861       5.21685692      -1.76969667      -0.02399824      -0.11738295      -0.78210173 
O       6.13737260       4.28251313      -7.10238547       0.52788025       0.70709213      -0.09807397 
O       1.75212698      -0.38445305      -4.43167382      -0.61327186       0.76482884      -0.61308716 
O       1.63520624      -1.29493372      -9.66045315       0.93860676      -0.72894919      -0.48891311 
O       6.85719093      -0.40199188      -4.42809344       0.46259739      -0.07944446      -0.44828338 
O       6.91758650      -1.37235627      -9.72044677      -0.76975457       0.78397476       0.01031183 
O       1.72109834       4.83285223      -4.45950205       0.28623421      -1.13106707       0.10082983 
O       1.76684078       3.79494736      -9.67673619       0.00941124       0.55068247      -0.57808977 
O       6.87051597       4.61101178      -4.44259895      -0.55897169       1.26472526      -0.22713063 
O       6.84780018       3.78800386      -9.78360695       0.48372397      -0.04183851       1.01771529 
O       4.26944360       4.26306597      -3.38137402      -0.13950734       0.02232942       0.00673448 
O       4.30357239       3.37722208      -8.60892971       0.23653876       0.39014830      -0.10999798 
O       9.47305867       4.15216887      -3.46773755       0.75625658       0.65008822       0.60669999 
O       9.58011486       3.19584802      -8.72221285      -0.39834601       0.70139219      -0.22473123 
O       4.30565606       9.28713094      -3.49891515       0.29333394       0.52832390       0.90989095 
O       4.24993831       8.51130097      -8.62387897       0.43323399       0.06309127      -0.16496134 
O       9.49297946       9.46380555      -3.42891857      -0.23572347      -1.12770721       0.30480295 
O       9.41379710       8.52520042      -8.63957861      -0.12940157      -0.53007555       0.04121648 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00013355330318898137 -0.0012952150112912196 -0.0001749898833625522 -0.0012952150112912196 -0.00021319822394452457 0.0006370874264101608 -0.0001749898833625522 0.0006370874264101608 -0.00955051178587264" pbc="T T T" energy=-961.26770017 free_energy=-961.26770017 config_type=crystal 
Hf       2.74686795       2.99654872      -4.15905848       1.45431786       0.36077915       0.40191813 
Hf       2.77612110       2.06672035      -9.39500151       0.58147131       0.33667007      -0.39515869 
Hf       7.93729545       3.01195372      -4.12569801       1.53643695       0.24457065      -0.42571089 
Hf       8.02196191       2.17775642      -9.45890786      -0.62166001      -0.34512554       0.20662764 
Hf       2.87813520       8.21823319      -4.18281279      -1.47060427      -0.20261990       0.38974614 
Hf       2.90542551       7.24825972      -9.32625649      -0.43090572       0.30534646      -1.45495466 
Hf       8.08295066       8.17281301      -4.22263196      -0.87106778       0.99333865       1.11625689 
Hf       7.94284428       7.20038212      -9.41903315       0.24012117       1.28651457      -0.62922103 
Hf       0.24309332       0.81734596      -3.70691358      -1.22450204      -0.15368851       0.02967710 
Hf       0.29138159      -0.16927492      -8.87442545      -1.52364919      -0.12305028      -1.65455254 
Hf       5.39756427       0.84691610      -3.72793974       1.43123133       0.35471059       0.13540692 
Hf       5.43997018      -0.07734652      -8.97842923      -0.29034174       0.20897849      -0.57372188 
Hf       0.24791192       5.87699804      -3.70610115      -0.13749524       0.02876427       0.65913622 
Hf       0.24403333       5.05915753      -8.99104232       0.27039247      -1.08501868       0.18000692 
Hf       5.35344292       5.88555439      -3.70647371       0.49465354       0.33136341       0.54884938 
Hf       5.36971672       4.95448988      -8.96995347      -0.31537947       0.88300649      -0.23700112 
Hf       2.30554173       1.14592144      -1.10321141       1.01365835       0.58412417       0.35839439 
Hf       2.34395933       0.35045240      -6.36380362       0.49483378       0.46049049      -0.13021713 
Hf       7.66635885       1.24950314      -1.06587931      -0.92817867      -0.61402105       0.13472306 
Hf       7.55629643       0.35234604      -6.42993074      -0.07396702       0.42103416       1.43181145 
Hf       2.46209407       6.34235089      -1.11938147      -0.10929565      -0.27498155       0.51377650 
Hf       2.34393314       5.56713777      -6.33323610       0.57374871      -1.21850859       0.27848258 
Hf       7.56845265       6.40886769      -1.10057219      -0.56798574       0.16875195      -1.16164758 
Hf       7.49192969       5.50798269      -6.32986730       1.11329081      -0.92424863      -0.01934969 
Hf       4.90009658       3.44554403      -1.49505744       0.67803883       0.56064492      -0.07802116 
Hf       4.92965957       2.57753727      -6.75854109       0.19138407      -0.05813292       0.17964385 
Hf      10.24289599       3.42603397      -1.47211187      -0.76429074       0.73721631       0.02712084 
Hf      10.18531162       2.58488802      -6.76302221      -0.88094013       0.60379842       0.04078709 
Hf       4.96114777       8.71769217      -1.59697926       1.55296467      -0.73856524       1.28411923 
Hf       4.97314170       7.79358269      -6.75933703       0.33074904      -0.96030302      -0.83874498 
Hf      10.24775449       8.46571581      -1.52080267      -1.50253931       1.90331335      -0.74998714 
Hf      10.11728460       7.65504429      -6.81774286       0.23346428       0.25110761       0.29967706 
O       1.41145955       2.45045393      -2.60985761      -0.68353929      -1.05042301      -0.83554095 
O       1.24255179       1.50051528      -7.96866263       0.66627928      -0.57646615       0.39016681 
O       6.55388274       2.42307947      -2.73081889      -0.14006095      -0.19473770       0.24180864 
O       6.42593114       1.48327347      -8.01906712       1.26597234       0.57596460       0.48017016 
O       1.43444090       7.50215686      -2.75484213      -0.82730389      -0.14051301      -0.29203510 
O       1.36062451       6.66158428      -8.04882084      -0.61303572      -0.64650654       0.49234399 
O       6.56114005       7.53515060      -2.82893163      -0.10177898      -0.22781934      -0.09263060 
O       6.46228335       6.61448412      -7.98811475       0.45898347      -0.06938373      -0.47401468 
O       3.96062346       1.46035584      -5.18964774      -0.20742644      -0.63534771       0.33294610 
O       4.00581095       0.61415082     -10.36975685      -1.28678701      -0.14930357      -0.51126425 
O       9.24382372       1.46040259      -5.19260712      -0.48991228      -0.01465169       0.89934217 
O       9.07900725       0.62898402     -10.36838452       0.64559673      -0.66722168       0.44576585 
O       3.84901101       6.66409306      -5.12115064       1.21538477      -0.39320829       0.04314500 
O       3.96645636       5.63898394     -10.43485092      -0.10690956       0.35223946       0.87042184 
O       9.14595182       6.57704385      -5.08382043       0.02634028      -0.00969290      -0.51856294 
O       9.14104458       5.73638985     -10.28614699       0.06833085      -0.80496357      -0.78963749 
O       3.90613675       1.87451983      -2.59118536      -0.72693180      -0.57718900       1.30230991 
O       3.85044404       1.00528579      -7.72879787      -0.73520278      -0.16664917      -0.19365752 
O       9.09472278       1.83488169      -2.42277982       0.48325499       0.00666821      -0.87990995 
O       9.04987130       0.91601557      -7.69245062       0.28910151       0.88217504      -1.10340731 
O       3.85020039       7.12556217      -2.50292322       0.65872760      -0.55194067      -0.60491350 
O       3.81600198       6.14721416      -7.75124098       0.57501965       0.12567149       0.28799416 
O       9.08307131       7.00771609      -2.47863274       0.36445156      -0.15218827       0.06734027 
O       9.10155866       6.01981811      -7.70480529      -0.68278215       0.72966129      -0.14565572 
O       1.26147003       2.68261966      -0.07146047       0.17167745       0.37734906       0.50906239 
O       1.33180692       2.07337595      -5.32689007      -0.86912555      -1.12657143      -0.68128447 
O       6.38303190       2.91656792      -0.04248988       1.03235818      -0.41088087      -0.86255655 
O       6.51978699       1.93091981      -5.34954256      -0.61002822       0.59259345      -0.57349204 
O       1.25663064       7.88000223      -0.18398852       0.76506422      -0.37296573       1.08560473 
O       1.29658922       7.10820828      -5.37593620      -0.68043554      -0.12385361      -0.24463575 
O       6.49220262       8.04713258      -0.24063603      -0.08879123      -0.35950837       0.85829188 
O       6.49198890       7.06412783      -5.41176367      -0.84959135       0.32048186       0.22480679 
O       3.53430259       3.78343404      -5.92889543      -0.34514826       1.12356033      -1.01550272 
O       8.72319430       4.70903468      -0.79434584      -0.21792551       0.26927649       0.09304208 
O       8.70547874       3.83344607      -6.01301593      -0.24278399      -0.25773949       0.08116072 
O       3.49150195       9.80759868      -0.72167728       0.50867596      -0.09703523      -0.64959788 
O       3.49089048       8.95761382      -6.12197683      -0.38301122       0.32176066       1.04785444 
O       8.64474736       9.72156049      -0.83819261       0.62317842       0.30032342       0.13846570 
O       8.65146625       8.93303398      -6.14442088       0.36220042      -0.94288281       0.32259159 
O       0.82434128       0.04508024      -1.85505088       0.50595865      -0.40415360       0.29820273 
O       0.92589124      -0.97636890      -7.15080398       0.82350141       0.79101018       0.88532078 
O       6.21059778       0.08658821      -1.84615300      -1.50746398      -0.45957901      -0.70014407 
O       6.07672122      -0.84298920      -7.10948229       0.14088314      -0.23972992       0.22978434 
O       1.06425101       5.10644595      -1.84664296      -0.80785715       0.08327226      -0.21241170 
O       0.94418450       4.28457174      -7.03522877      -0.25800980       0.30259896      -0.74100175 
O       6.04629865       5.24218248      -1.86070881      -0.36993068      -0.54059958       0.50060548 
O       6.02427122       4.32484122      -7.03621341       0.00904913      -0.39803689      -0.37569804 
O       1.69901938      -0.30848826      -4.53091160       0.63413965      -0.75431810       0.41060753 
O       1.73398978      -1.37246947      -9.75355700      -0.51483467       0.10222419       0.67326831 
O       6.95224010      -0.29729555      -4.46818058       0.30376215      -1.20847445      -0.11620258 
O       6.81331563      -1.33951169      -9.76873612       0.68684945      -0.07257202       0.55382507 
O       1.71676662       4.74602616      -4.41600338      -0.04599959       0.31806119      -0.54626748 
O       1.65599628       3.68475405      -9.77859397      -0.03139908       1.16255547       0.14838942 
O       6.85372743       4.72372240      -4.38991153       0.35721482       0.07961075      -0.67541098 
O       6.83087335       3.91299071      -9.79501331       0.67868199      -0.84692838       0.71691374 
O       4.28115387       4.12177894      -3.39920044       0.47934975       1.71578862       0.33741497 
O       4.23266247       3.32509752      -8.66380356      -0.01566755      -0.05465505       0.22306388 
O       9.54185499       4.12122671      -3.28084835      -0.24189334       0.85475700      -1.34257450 
O       9.48751396       3.32767342      -8.74846631       0.49758090       0.22453297       1.15553444 
O       4.28872882       9.43084224      -3.37610178      -0.18256915       0.36412291      -1.00356094 
O       4.21986391       8.57239468      -8.62980823       0.32822642      -0.71278950       0.28263837 
O       9.64374420       9.26999424      -3.49574261      -0.26290533       0.35240512      -0.17471083 
O       9.53552148       8.41851712      -8.69890576      -0.83106826      -0.39837337      -0.10883119 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00017061975967637338 -0.0005121712858288139 -0.0018170883048751077 -0.0005121712858288139 0.003366490061068803 0.0008837176823195847 -0.0018170883048751077 0.0008837176823195847 -0.0037453936988567998" pbc="T T T" energy=-961.37255176 free_energy=-961.37255176 config_type=crystal 
Hf       2.80968300       3.05308961      -4.07988585      -0.20845987       0.51569349      -1.76540722 
Hf       2.82009906       2.06827298      -9.39375897       0.19252262       0.04551825       0.14335165 
Hf       8.01302106       3.05203301      -4.21553251       0.87768964      -0.29542724       0.54948292 
Hf       8.01123476       2.10155983      -9.37801062       0.04212329       0.04890380      -1.07679337 
Hf       2.76992422       8.06571982      -4.09549308       0.65873272       1.05484195      -0.48034154 
Hf       2.76932979       7.23766841      -9.51797732       0.16871680       1.03032525       0.97538414 
Hf       7.94614009       8.17237931      -4.17001353       0.77255522       0.06687129       1.54959453 
Hf       8.10581159       7.32477246      -9.44451187       0.30217625      -0.82816098       0.72641031 
Hf       0.21275729       0.76467039      -3.74068955       0.37724817      -0.17938496       1.05018108 
Hf       0.19019840      -0.04034683      -8.97024024       0.41990433      -1.68446871      -0.00937673 
Hf       5.38240971       0.78012683      -3.75551984      -0.13334700      -0.62044698       0.49208101 
Hf       5.44111612      -0.15500690      -8.95679372      -0.07626100       0.01170297      -1.00642851 
Hf       0.15225814       5.97969064      -3.73846122       0.08617649      -0.11619554       1.68713148 
Hf       0.25294726       5.01058974      -8.97691882       0.26385795       0.32309107       0.13979734 
Hf       5.45745361       5.98782216      -3.71590071      -0.28413151       0.03402109       0.13459678 
Hf       5.43629845       5.01890973      -8.95282744       0.15340388       0.12055989      -0.85861344 
Hf       2.45759944       1.34537614      -1.12677598      -1.72612556      -1.92996890       0.97784895 
Hf       2.38375467       0.27004914      -6.26793359      -0.40888200       0.70041920      -0.64006622 
Hf       7.49020075       1.23819942      -1.11712511       1.42156644       0.28244163      -0.63371527 
Hf       7.55770961       0.33529549      -6.31764179       0.97459988       0.02918712      -0.16975235 
Hf       2.43644293       6.30773107      -1.03011421      -0.81724483       0.02690544      -1.23957587 
Hf       2.33715462       5.48589124      -6.32960216       1.22423273      -0.87277890      -0.49775254 
Hf       7.62627111       6.33904312      -1.06606580      -0.96906631       0.26526977       0.13022342 
Hf       7.51773274       5.47830115      -6.39408206       1.31191442       0.43834528       0.32068003 
Hf       4.95515579       3.53595387      -1.56192464       0.47745497       0.00523692       1.20148322 
Hf       4.98652336       2.51326574      -6.84573857      -1.17598609       0.72147395       0.63021228 
Hf      10.13722960       3.45666424      -1.55722447      -0.22313819      -0.29567552      -0.39502343 
Hf      10.18317008       2.59464470      -6.78209558       0.49285112      -0.58084281       0.43015729 
Hf       4.97127893       8.55715849      -1.43824108      -0.07939303       0.44520971      -1.44111416 
Hf       4.99504091       7.69549338      -6.81412299      -0.86369340       0.21676728      -0.25897397 
Hf      10.14345110       8.68600836      -1.50786437       1.61495393      -0.67080970      -0.62511620 
Hf      10.19825991       7.67137465      -6.70086190      -0.43220781       1.64099800      -1.51205771 
O       1.35384016       2.28306971      -2.78730164       0.46371500       0.81634587       0.33968557 
O       1.28821849       1.45023298      -7.93882196       0.50891315       0.31665451      -0.87085567 
O       6.66611653       2.38619039      -2.82928161      -1.74711794      -0.78437496       0.80468963 
O       6.47482984       1.50445028      -8.02403326       0.61858670      -0.33220033       0.42611636 
O       1.25299092       7.61745596      -2.77959526       0.01218783      -1.01168979      -0.21026410 
O       1.37257750       6.55435472      -8.04104001       0.06617053       0.28684642       0.54341256 
O       6.48002406       7.50924899      -2.64696500       0.20627021       0.13942604      -1.04996800 
O       6.60510222       6.62147281      -8.06695839      -0.23125987      -0.37357984       0.93727653 
O       3.86225043       1.48968650      -5.17082565       1.39382935      -0.40967428       0.88166286 
O       3.98224597       0.47245503     -10.38065477      -0.92070586       0.89248963      -0.18773362 
O       9.26263348       1.46857374      -5.11815440      -1.58671998       0.26199802      -0.69807367 
O       9.05549713       0.52238645     -10.47446458       0.19312030       0.35103048       1.44164482 
O       3.97513558       6.52624077      -5.14073402      -0.30694404       0.41437055       0.03850510 
O       3.97508664       5.51617020     -10.41068634       0.13462617       1.05857293       0.27408293 
O       9.01985520       6.64414744      -5.04116999       1.15818468      -0.80345257      -0.85325001 
O       9.24151988       5.72126849     -10.30350824      -0.70215818       0.10440761      -0.91856449 
O       3.91869425       1.92487275      -2.48434223       0.28323126       0.27978609      -0.93095424 
O       3.87480585       0.90752123      -7.78383081      -0.04656111       0.16285778       0.29427452 
O       9.10053355       1.85372055      -2.49612808      -0.16797318       0.26196079      -0.39418024 
O       9.02351383       1.03113420      -7.74416170      -0.22770770      -0.32430642      -0.14160756 
O       3.83248213       7.05641479      -2.49546571       0.03393323      -0.34209643       0.15275991 
O       3.87968077       6.12919557      -7.75527762       0.23594640      -0.14125910      -0.17924320 
O       9.00844405       7.01187092      -2.37863347       0.67833294       0.49361722      -1.29508837 
O       9.19043776       6.15996555      -7.76630102      -1.14653401      -0.36752115       1.09045589 
O       1.14684138       2.78253715      -0.16108611       1.26418337       0.24974781       0.80094048 
O       1.34264275       1.95014478      -5.36753269      -0.57601161      -0.09507064       0.25229124 
O       6.41012522       2.84445243      -0.13175347       0.46061556      -0.59264153       0.01745088 
O       6.44792230       2.00307846      -5.38999449       0.07727691      -1.16886140      -0.26964834 
O       1.40351700       7.94535510      -0.20372237      -0.77210391      -0.19897661       0.46796076 
O       1.26603812       7.02731457      -5.36013534      -0.49389143       0.29821845      -0.22657811 
O       6.45923089       7.92465414      -0.12237791       0.27590363      -0.01730751       0.47280826 
O       6.47761891       7.14644014      -5.36341037      -0.41944566      -0.54263195      -0.51198703 
O       3.45956561       3.76301594      -6.03547584       0.23759716       0.31371299      -0.07590139 
O       8.71011863       4.65336665      -0.83055816      -0.30915140      -0.07864018       0.52983947 
O       8.68986576       3.80036171      -6.05839495      -0.32762735       0.26115577      -0.61170940 
O       3.48561709       9.82237388      -0.85518381       0.16721702      -0.27099898       0.53700837 
O       3.46483463       8.88014545      -6.10983290       1.10249016      -0.91470965       0.31165279 
O       8.79772274       9.87013517      -0.75650992      -1.43606627       0.55316974       0.11255204 
O       8.75974715       8.97409003      -5.92511091       0.25680701      -0.04405816      -0.98005663 
O       0.90296848       0.07566511      -1.66982371      -0.03318146       0.03726584      -1.24431115 
O       0.96657860      -0.89081973      -7.07875832      -1.06266895      -0.46654100      -0.11245288 
O       6.06154412      -0.00990179      -1.88106388       0.08949156       0.42785989      -0.24672081 
O       6.26220898      -0.91220584      -7.18550054      -0.70067250      -0.30629753       0.34276619 
O       0.85688960       5.21913017      -1.75741949       0.31797772      -0.05702850      -0.51458074 
O       0.86324805       4.26302210      -7.07204655       0.44934894       0.50406978       0.19656802 
O       6.12655349       5.15003720      -1.86797647       0.21504305       0.25607475       0.46040832 
O       6.09553451       4.29541965      -7.10689978      -0.48519369      -0.56819674       0.05418787 
O       1.67468343      -0.50332949      -4.42497613      -0.35676777       0.56368327      -0.30686485 
O       1.66324258      -1.34037438      -9.66443812       0.61059824       0.48005828      -0.20301311 
O       6.87437326      -0.47065114      -4.51213267      -1.44332232       1.68923892      -0.03940735 
O       6.93991140      -1.39860094      -9.82068304      -1.30062892       1.43828063       0.55240615 
O       1.64013072       4.80840804      -4.41170014       0.96028270      -1.03787847      -0.07569760 
O       1.83481025       3.87837332      -9.66768227       0.15890863      -1.06783419       0.19151815 
O       6.87533686       4.76257793      -4.49598539       0.02714492       0.08190421      -0.26350827 
O       6.94779992       3.79595601      -9.71838540      -0.34527372       0.43680539       0.56641260 
O       4.31030935       4.34495558      -3.31936219      -1.15529976      -0.95383829      -0.65409087 
O       4.38282208       3.21764737      -8.76129204      -0.30156825       0.21516111       0.17227217 
O       9.48691911       4.22453072      -3.49118105       0.30640004       0.25517149       0.56410943 
O       9.53150480       3.32301089      -8.71879281      -0.12262237      -0.44060465       0.19471027 
O       4.14924098       9.42470289      -3.46719950       1.16882053       0.03753100       0.29921144 
O       4.39978226       8.40699080      -8.75427891      -0.25594455      -0.20344526       0.33171434 
O       9.37838781       9.42613328      -3.38473085       0.49445669      -0.38938077       0.55843759 
O       9.53223192       8.48132163      -8.63128094      -0.14456462       0.44960915       0.40257488 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0006617610606941644 -0.003999541827542314 -0.0029791682190548167 -0.003999541827542314 -0.0031562929669233133 0.0017986842977155996 -0.0029791682190548167 0.0017986842977155996 -0.002681970317264038" pbc="T T T" energy=-961.15714162 free_energy=-961.15714162 config_type=crystal 
Hf       2.81518404       3.07945940      -4.07648282       0.49443676      -0.12003407      -1.81118714 
Hf       2.82322685       2.15821841      -9.42779725      -0.11935134      -0.93448940      -0.46107239 
Hf       7.99348243       2.95369234      -4.15258991      -0.15429368       0.31845676      -0.29876844 
Hf       7.97194989       2.04419791      -9.45514959       0.70089815       1.05038921       0.64404917 
Hf       2.71120472       8.13712703      -4.19488920       2.19949546      -0.53067994       0.12471345 
Hf       2.83534235       7.29529976      -9.37810596      -0.04555009       0.19446112       0.36314657 
Hf       8.01759518       8.19063110      -4.11913042      -0.78155685       0.35942539      -0.07936677 
Hf       7.98456319       7.25751499      -9.45087449       1.51005713       0.21196004       0.70481887 
Hf       0.27476564       0.77907437      -3.69888976      -1.43509050       0.28171210      -0.95022066 
Hf       0.17540543      -0.06077635      -8.91320821       0.80122177      -1.11302458      -1.11741762 
Hf       5.31639902       0.83352612      -3.63366654       1.41722076      -0.23829872      -0.87636070 
Hf       5.39848391      -0.11552965      -8.98883825      -0.22212433       0.79508630       1.09640337 
Hf       0.15545419       5.93211680      -3.75151691       0.86826452      -0.23698923       0.02783819 
Hf       0.25050710       4.98040683      -9.00058452      -0.42313237       1.03368511       0.38228027 
Hf       5.37662003       5.98002754      -3.72847264       0.71192273      -0.76930591      -0.08613271 
Hf       5.40791269       5.02985173      -9.06637845       0.44792418      -0.56049380       1.47301638 
Hf       2.39979739       1.19432726      -1.14758436       0.20784868       1.06154853       2.52746123 
Hf       2.37281650       0.33182335      -6.29458009       0.60686716       0.74637916      -0.73663950 
Hf       7.56380986       1.25572789      -1.02961386       0.91631649      -0.86858128      -1.50212184 
Hf       7.53026593       0.25170297      -6.29489658       0.45276406       0.96642273       0.22984954 
Hf       2.40161892       6.36716904      -1.09973057       0.29851463       0.09669735      -0.63768277 
Hf       2.34170484       5.45976211      -6.39572330       1.51045647      -0.44627888       0.41270205 
Hf       7.64688930       6.31900453      -1.09728908      -0.68401798       0.66526213      -0.17308834 
Hf       7.58789892       5.51630721      -6.30675625      -0.42122507      -1.46376219      -0.25515078 
Hf       4.92963972       3.54806841      -1.49140082       0.50256481       0.24281472      -0.19547954 
Hf       5.00255476       2.57312069      -6.81528866      -0.22049590       0.13488291       0.36306238 
Hf      10.24394177       3.42170724      -1.52817376      -1.12827336       0.71767522      -0.45116119 
Hf      10.22327412       2.56527751      -6.86835001      -1.51443781      -0.56767217       1.43153671 
Hf       5.00187866       8.60360518      -1.53256122      -0.03123605       0.59774042      -0.77746897 
Hf       4.96254901       7.70487178      -6.77283952       0.05966495      -0.33281595       0.03725877 
Hf      10.27066759       8.58289463      -1.52385130      -1.44010988       0.46327281      -0.39316095 
Hf      10.14195552       7.72532312      -6.75849614       0.78359314      -0.00138034      -0.88048682 
O       1.45512237       2.39226989      -2.67359731      -1.34123790      -0.36198260      -0.54245669 
O       1.36792431       1.62098353      -8.06214997      -0.95055163      -1.08432284       0.90228869 
O       6.50992036       2.28565170      -2.66472789       0.30963938       0.95474013       0.18892830 
O       6.54721622       1.47401509      -8.02506169      -0.26609936      -0.44375079       0.68913302 
O       1.32164106       7.52741135      -2.80013871      -0.39868840      -0.21438292       0.50884151 
O       1.40994215       6.62033818      -7.98607417      -0.49914713      -0.63545030       0.01389426 
O       6.47146100       7.44425769      -2.74574358       0.66126065       0.69966182       0.27708640 
O       6.53090866       6.57923998      -7.97779982       0.44220196       0.02649252      -0.24250660 
O       3.82677755       1.38361159      -4.96673103      -0.30404012       0.28262745      -1.10944107 
O       3.97463591       0.73849070     -10.43004942       0.11202389      -0.89781424       0.09917363 
O       9.19744446       1.32051194      -5.19473874      -0.37462159       0.38533180       0.56137794 
O       9.15001795       2.33587738      -0.01208596      -0.15056287       0.05521889       1.36763238 
O       3.95595053       6.48623369      -5.16404059      -0.75386172       0.85483446      -0.36076742 
O       3.98156063       5.73267436     -10.41154980      -0.26545448      -0.31551927      -0.49949697 
O       9.10798443       6.57491205      -5.18236317       0.00485801      -0.05189702       0.67457794 
O       9.26006552       5.73209432     -10.42966951      -0.59966433      -0.65227008       0.27239748 
O       3.92398343       1.94417415      -2.47463401      -0.61353366      -0.28670135       0.64155144 
O       3.88127454       0.97323736      -7.81240405      -0.25447687      -0.34339847       1.05242184 
O       9.02991560       1.91407906      -2.50211373       0.92465702       0.12889762      -0.63839942 
O       9.06036083       0.93254294      -7.81102648      -0.17945818       0.50408769      -0.10634662 
O       3.84554990       7.07236204      -2.55150964      -0.14832966      -0.10317426       0.44712520 
O       3.92952530       6.11876354      -7.84236033      -0.50458730      -0.06658077       0.61259348 
O       9.05218803       7.10523907      -2.56985132       0.13763356      -0.60127044       0.52183411 
O       9.15580587       6.21722027      -7.76057075      -1.16677838      -1.43035741      -0.13955498 
O       1.19245104       2.78969822      -0.13329327       0.92531868      -0.36482760       0.26328499 
O       1.28672551       1.96428036      -5.34024786      -0.22910615      -0.61598600       0.07053550 
O       6.53468366       2.77495247      -0.05806981      -1.14235497       0.44978620      -0.59000676 
O       6.32641809       2.01868909      -5.27971965       0.69548295      -1.10083627      -0.45873259 
O       1.35466973       8.05767845      -0.17059817       0.29755583      -0.88589374       0.45849070 
O       1.25310116       6.96571476      -5.38428616      -0.02466862       0.97216771      -0.09391510 
O       6.48428397       7.96844721      -0.11146108       0.21103266       0.03776636      -0.18521758 
O       6.43950045       7.10477530      -5.33779114       0.35183012      -0.44057904      -0.18613446 
O       3.52233255       3.71191777      -6.05626028      -0.42195032       0.48776141       0.13128413 
O       8.73548186       4.70531380      -0.77108179       0.75263650      -0.78912699      -0.49539047 
O       8.65036914       3.65167020      -5.98107914       0.29930136       0.92612305      -1.01257761 
O       3.53985641       9.90699654      -0.62916009       1.39210972      -0.44763556      -1.90761762 
O       3.53403628       8.97364616      -5.97632416      -0.20994565      -0.69009676      -0.42295863 
O       8.76873808       9.80574918      -0.81945148      -0.52919188       0.31613553       0.64300824 
O       8.66096183       8.84013115      -6.03979305      -0.79026727       0.97825269       0.30174296 
O       0.94685179       0.03166199      -1.81216408      -0.09524173       0.00052539      -0.58223085 
O       0.85620291      -0.82457605      -7.11773922       0.80229022       0.56554608       1.06345236 
O       6.27534626      -0.06703674      -1.88894877      -1.50692363      -0.61438210       0.92683748 
O       6.10260740      -0.91869245      -7.06188314       0.04654087       0.59126728      -0.05066576 
O       0.95649159       5.14986337      -1.80903564      -0.18098257       0.33947447      -0.65324868 
O       0.91170631       4.23446902      -7.08665129      -0.11857195       0.51063553      -0.78434686 
O       6.09773040       5.16802202      -1.74669346      -0.09605186       0.16040224      -0.35428613 
O       6.12188181       4.22687993      -7.09041859      -0.01935648       0.57299870      -0.61809142 
O       1.64095436      -0.50427670      -4.49939325      -0.56452300       0.83832430       0.13296838 
O       1.79426118      -1.26408256      -9.58812806      -0.58663981       0.73539184      -0.78320761 
O       6.89079138      -0.35179468      -4.38550811       0.44592162      -0.41313949      -0.97732782 
O       6.98099857      -1.25795300      -9.56214184       0.09134934      -0.54612175      -1.02323286 
O       1.68256572       4.71596758      -4.53799046      -0.29782530       0.05384828       0.66645995 
O       1.72710621       3.82666842      -9.79931740      -0.33628180       0.64015795       0.40434668 
O       6.84524833       4.66849164      -4.44638315      -0.09693424       0.86185605      -0.01065221 
O       6.94877369       3.85045639      -9.75009779      -0.20789116      -0.21094302       0.38636579 
O       4.24173871       4.31456102      -3.32739902      -0.13297399      -0.28961081       0.30979131 
O       4.28021168       3.24921878      -8.76333157       1.39813027       1.72115517       0.35630507 
O       9.44561821       4.33673788      -3.51426533      -0.14011038      -1.47043464       1.08087781 
O       9.41304173       3.38853367      -8.67391657       0.61951901      -0.28480267       0.15146677 
O       4.25244944       9.41354422      -3.45687207      -0.41957530      -0.91398763       1.35271609 
O       4.31036442       8.52416736      -8.59113479      -0.17407987      -0.44922444      -0.33878342 
O       9.49489481       9.39492212      -3.46687409       0.74943733       0.23354775       0.47065762 
O       9.53044790       8.45136310      -8.59990015      -0.47933864       0.50355954      -1.16068858 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004691689350857366 -0.0024525609842178018 0.0018355346981230897 -0.0024525609842178018 -0.001727779636815432 0.003293887110501519 0.0018355346981230897 0.003293887110501519 -0.005510470921484064" pbc="T T T" energy=-961.49601348 free_energy=-961.49601348 config_type=crystal 
Hf       2.81283043       3.03254742      -4.18813712      -0.47513224       1.30600152      -0.05231495 
Hf       2.87988794       2.12493207      -9.37206287      -0.91264664       0.16468671      -0.81828016 
Hf       7.91586744       2.94408252      -4.17646729       1.77607134       0.76451193       0.59404588 
Hf       8.02214146       2.11195461      -9.37344738      -0.08530767      -0.12497677      -0.79872400 
Hf       2.90103645       8.10663027      -4.17418509      -1.13081035      -0.56919676       1.23982293 
Hf       2.76065712       7.24913461      -9.46814396       0.45717052       0.55111776      -0.40385851 
Hf       7.99903864       8.15597115      -4.14512808      -0.48624971      -0.74582795       0.34520121 
Hf       8.00759577       7.42429691      -9.42798888       0.65709557      -2.42806997       0.63026198 
Hf       0.27176014       0.77325616      -3.75421262      -0.59495720      -0.13153737       0.84081654 
Hf       0.30186623      -0.05011726      -9.00120006      -0.54526768       0.10827417       0.49440646 
Hf       5.29248659       0.74216357      -3.71038454       1.52932184      -0.29247980       1.03695433 
Hf       5.37731285      -0.22785278      -8.94988958       0.13856347       1.92395074      -0.70855550 
Hf       0.23024946       5.93801770      -3.71930427      -0.73037088      -0.26553409       0.09748224 
Hf       0.24825386       5.02911283      -8.94541108      -0.56799013       0.21442038      -1.64810235 
Hf       5.43145273       5.84914379      -3.73869066      -0.33100655       1.64513770       0.56480510 
Hf       5.38798192       4.98089977      -8.94954369       1.19494120       0.97056772      -0.24328431 
Hf       2.35285456       1.33373192      -1.12072355       0.06300502      -0.28405184       0.46853757 
Hf       2.44075137       0.35329704      -6.27596266      -1.05751836      -0.58126975      -1.03260823 
Hf       7.50047592       1.30152363      -1.10829747       0.73529135       0.42009721      -0.22148301 
Hf       7.60793692       0.27370918      -6.38589475      -0.32619987       0.07414969       0.02738888 
Hf       2.34715496       6.36413607      -1.15498917       0.40190423      -0.01521925       0.48022145 
Hf       2.36376728       5.48792560      -6.37781497       0.52185469       0.03027629      -0.05737905 
Hf       7.60732992       6.39125282      -1.03803302      -0.22398789       0.03019169      -0.14472768 
Hf       7.64347505       5.45961845      -6.34690975      -1.16261264       0.31848328      -0.29884027 
Hf       4.93383480       3.54910960      -1.51475979      -0.50550197      -0.55703920       0.54098103 
Hf       5.06295832       2.51139357      -6.74647528      -0.62681809       0.89186799      -1.13090911 
Hf      10.14597397       3.43532519      -1.55241667      -0.36130320       1.14453956       0.38695235 
Hf      10.18976262       2.60171025      -6.72633758       0.91863357      -1.42614737      -1.77498594 
Hf       4.90145937       8.61455620      -1.43720058       1.28805671      -0.71627736      -0.40601717 
Hf       4.96869372       7.68627609      -6.76604669       0.41309303      -1.34169103      -0.59379664 
Hf      10.11952921       8.63466025      -1.52509677      -0.07327373       0.25694535       0.35813673 
Hf      10.18581327       7.71292336      -6.78146208       0.39185516       0.63675679      -0.80005162 
O       1.27904209       2.42833233      -2.84588524       0.06514141      -0.36779414       0.76566477 
O       1.34217488       1.48379431      -7.98668289       0.04176429       0.55679818       0.20127459 
O       6.49204106       2.34045592      -2.82086518      -0.62577058      -0.45821419       0.25948058 
O       6.53340711       1.41526881      -7.96069489      -0.37889910      -0.20482213       0.20276305 
O       1.37918708       7.47922654      -2.75641249      -0.01322547       0.79006897      -0.77047466 
O       1.42253155       6.69821131      -8.06688132      -1.18517926      -0.74476092       0.71248493 
O       6.56440936       7.43749405      -2.74459460       0.09353887       0.29831170      -0.02739874 
O       6.58813726       6.49449453      -7.98028499      -0.59275937       0.53052785      -0.02649728 
O       3.93489594       1.50374037      -5.13034778       0.64344490      -0.63881062       0.31783710 
O       4.00212894       0.60637807     -10.39436948      -0.71231619      -0.05429984      -0.00211422 
O       9.24646233       1.40311198      -5.17148309      -0.96120761      -0.05168630       0.18733706 
O       9.16715675       0.56104753     -10.41509417      -0.17629560      -0.03998266       0.23769686 
O       3.91172548       6.51120716      -5.10263401      -0.07282037       0.12030514      -0.45873405 
O       3.87199331       5.69747714     -10.47036337       0.42196911       0.20425953       1.14159801 
O       9.05492597       6.47554902      -5.12113310       0.62961345       0.62170737       0.65489242 
O       9.05022894       5.76424568     -10.41199230       0.71836804      -0.10968127       0.56361578 
O       3.77463967       1.99409079      -2.54771756       0.43845383      -0.99381840       0.03616705 
O       3.82103504       0.89594136      -7.72220392       1.04488129       0.54046273      -0.14564717 
O       8.98765442       1.94806820      -2.50392750      -0.06921276      -0.56052970      -0.50587238 
O       9.03591246       0.92223213      -7.79351928       0.49079234       0.73175756       0.43073495 
O       3.88831241       6.99505356      -2.46481366      -0.12341082      -0.16301329      -0.53520625 
O       3.85352934       6.04610612      -7.78618882       0.49142938       0.62224573      -0.09008589 
O       9.12756328       7.06469328      -2.47623472      -0.68577093      -0.12874922      -0.32829349 
O       9.04055131       6.18486789      -7.68035416       1.16208018       0.03247913      -0.96998717 
O       1.26211474       2.90052708      -0.11349410       0.36105140      -0.33182078      -0.34897586 
O       1.33296295       1.93010184      -5.36435353      -0.21846040      -0.07782830      -0.26873073 
O       6.44462162       2.90068554      -0.09989427       0.33273167      -0.49549413      -0.41330649 
O       6.51231107       1.93509659      -5.38720427      -0.14272345      -0.89449353       0.07699321 
O       1.19870890       7.93316422      -0.15074734       0.23908037       0.42506517       0.10014852 
O       1.25786948       7.08140900      -5.48872130       0.12859778      -0.06879642       1.06630294 
O       6.47314204       7.98656468      -0.08185490      -0.91147349      -0.10058560      -0.19152613 
O       6.43123237       7.08594477      -5.41922980       0.27213084      -0.66285000       0.47336511 
O       3.52905185       3.82485638      -6.10755133       0.02818780      -0.89827090       0.28708674 
O       8.68143311       4.69071200      -0.75088108      -0.05000101      -0.22807000      -0.44908106 
O       8.68445273       3.65898280      -6.15899370      -1.17665523       1.15481737       1.14609256 
O       3.50104928       9.90491099      -0.86160398      -0.84404285       0.01096821       0.85353550 
O       3.60778587       8.88604262      -5.93460071      -0.19560163       1.03093680      -0.32286612 
O       8.62059159       9.86833095      -0.77040965       0.45375638      -0.05337924      -0.91821724 
O       8.69096319       8.82641089      -6.01065131      -0.00701557       0.81114812      -0.59141726 
O       0.83093631       0.12778247      -1.75084476       0.01527818      -0.05082201      -0.63218544 
O       1.03291097      -0.84070193      -7.03278917      -1.04470128      -0.55635760      -0.44532016 
O       5.99016248       0.11336492      -1.69726846      -0.23307101      -0.16583003      -1.12911501 
O       6.10638188      -0.96429676      -7.18358660       0.71004071       0.29111995       0.78940923 
O       0.81306957       5.29013828      -1.84529552       0.31854106      -1.34871988       0.48563861 
O       0.82674341       4.36027008      -7.10498416       0.24421646      -0.37902592       0.25837042 
O       6.00376753       5.15696824      -1.85277887       0.99562581       0.73333094       0.91851394 
O       6.15198613       4.17934393      -6.99352822      -0.60951183       0.28145684      -0.75229160 
O       1.71075262      -0.45723611      -4.41245544       0.34315550       0.18008150      -0.01411452 
O       1.77789585      -1.20128088      -9.69414270       0.38611525      -0.62581404      -0.42035558 
O       6.79759490      -0.47003724      -4.56934269      -0.34825166       0.50229713       0.76019217 
O       6.98781232      -1.21869908      -9.71459626      -1.26783447       0.65519315       0.59724524 
O       1.61757214       4.71827443      -4.56916187       0.50804110      -0.31824130       0.51328827 
O       1.81266073       3.89326585      -9.74401806      -0.12022677      -0.43033926       0.62668368 
O       6.85041968       4.67089674      -4.40612832       1.22923450      -0.48171138      -0.82122208 
O       6.95875046       3.84777223      -9.63534089      -0.44310314       0.23351386      -0.30922750 
O       4.25341407       4.24471753      -3.39263159      -0.33130431      -0.10172956      -0.21713942 
O       4.39275510       3.26698265      -8.79684776       0.01099523      -0.59349579       1.03311458 
O       9.51078167       4.24603110      -3.31817037      -1.04932178      -0.21512584      -1.66274918 
O       9.51387258       3.36738338      -8.80606885       0.55594326      -0.49331034       1.36504853 
O       4.27290180       9.27869063      -3.28766092       0.41390525       1.41183193      -1.21335519 
O       4.22533607       8.45893790      -8.66040442       0.15732374      -0.69665409       0.05765970 
O       9.41077352       9.39793789      -3.40614984       0.58100220       0.45601455       0.02665925 
O       9.60785384       8.50386860      -8.74573144      -0.22130723      -0.45027563       0.81274655 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00019680407634618759 0.0005737354534239875 -0.0005425191509572676 0.0005737354534239875 -0.0011189943959516802 0.0020653596657450365 -0.0005425191509572676 0.0020653596657450365 -0.003214358650064756" pbc="T T T" energy=-961.79394892 free_energy=-961.79394892 config_type=crystal 
Hf       2.81059859       3.03573996      -4.14588392      -0.61208806      -0.42737005       0.23713462 
Hf       2.74218733       2.14295260      -9.44962555       0.49312304      -0.96063984       0.69144562 
Hf       8.01991170       2.97106285      -4.20584142       0.74863743       0.05869663       0.74910641 
Hf       8.03795060       2.16106916      -9.47283982      -0.41155037      -0.42849967       0.76663230 
Hf       2.72746782       8.10958923      -4.13874194       1.36344145       0.40312400      -0.35072399 
Hf       2.87848597       7.26882594      -9.38795666      -0.91675388       1.18284013       0.02335924 
Hf       8.08554480       8.17032761      -4.16173707      -0.53698084       0.37374690      -0.27331494 
Hf       8.01634388       7.23911502      -9.40324667      -0.15321727       1.44848717       0.46256197 
Hf       0.26817081       0.75473996      -3.70992651      -0.58488502       2.18839746      -0.46306679 
Hf       0.19441489      -0.11901332      -8.85637400       0.01000708       0.48578863      -1.71057137 
Hf       5.48215976       0.78506507      -3.74304882      -0.96841671       0.42310425       0.24082603 
Hf       5.41070840      -0.02179451      -9.03296097      -0.11601667      -0.80342940       0.85737844 
Hf       0.13660194       5.87514639      -3.68943283       1.05216816      -0.85230291       0.19749577 
Hf       0.19561559       5.02798755      -9.02727911       0.33627124      -0.09578469       1.02167876 
Hf       5.48995622       5.97951375      -3.66255270      -0.83563704      -0.34270620       0.30467661 
Hf       5.41376450       5.09386621      -9.03248246       0.28309486      -1.63433282       1.10585073 
Hf       2.33407639       1.18251357      -1.10825726       0.14050451       1.74508170       0.69975888 
Hf       2.45068844       0.21619293      -6.33334111      -0.89608802       3.02944287      -0.21970379 
Hf       7.59182718       1.23204148      -1.10724269      -0.15166663       0.19313627       0.54070834 
Hf       7.53237651       0.34051912      -6.39732831       0.44619154       0.07694116       0.04490397 
Hf       2.44016546       6.29628120      -1.02384410      -0.53227359       0.19584955      -1.82192183 
Hf       2.39592691       5.51445232      -6.33401567      -0.41182839      -1.04598756      -0.18051859 
Hf       7.52919376       6.48649237      -1.04723867       0.54572151      -1.60389349      -0.59566253 
Hf       7.54767445       5.48273506      -6.28886452       0.20125282      -0.32265188      -1.28003355 
Hf       4.87620950       3.46390287      -1.52426670       0.84494154       0.67379975       0.96858326 
Hf       4.91289368       2.57635017      -6.80741574       0.37013542       0.16612087       0.12975911 
Hf      10.14685766       3.47606629      -1.44351878       0.51577073      -0.91341100      -2.01309304 
Hf      10.18639585       2.54701601      -6.77990211       0.61893570       0.43148339       0.26019526 
Hf       4.97679992       8.63923113      -1.58803760      -0.72575441       0.09058351       0.43866052 
Hf       4.99079741       7.71148475      -6.78890668       0.07603538       0.31137550      -0.26395666 
Hf      10.21050040       8.60688987      -1.51665010      -0.57404612       0.02053572      -0.43293122 
Hf      10.18136986       7.67873068      -6.76746795      -0.33689651       0.18964441      -0.93688841 
O       1.31737303       2.35381130      -2.67980221       0.15253666      -0.04330254      -0.77845942 
O       1.32267863       1.48793080      -7.94767710      -0.33669436       0.01342615      -0.65743654 
O       6.62703063       2.35134859      -2.73321124      -0.85095007      -0.19498812      -0.05040926 
O       6.53343246       1.48794211      -8.06401088      -0.21434928       0.06756547       0.69174654 
O       1.34996573       7.38923578      -2.76408317       0.26665633       0.97969356      -0.15261704 
O       1.37307655       6.60734127      -8.03953003      -0.66567140       0.23860660       0.08724218 
O       6.61948291       7.55656875      -2.68195263      -0.69867321      -0.07991307      -0.66860566 
O       6.56898576       6.54828446      -7.98436720      -0.54520112       0.73926362      -0.21808386 
O       3.98654724       1.48431998      -5.12764567       0.17749970      -0.40617864       0.19281936 
O       3.90988152       0.55839783     -10.39740006      -0.59357026       0.76620019      -0.04719191 
O       9.12500644       1.40301768      -5.17297617       0.23692567       0.21559581       0.01544954 
O       9.08733351       0.51139037     -10.38735814      -0.17550631       0.31594944       0.05643456 
O       3.96526948       6.53197150      -5.23437057       0.15903388       0.57058109       1.58140652 
O       3.92575778       5.70774152     -10.37927794      -0.30533158      -0.18600881       0.04297840 
O       9.12276463       6.49943026      -5.12566442       0.11465115       1.05394696      -0.16838608 
O       9.06432244       5.67598805     -10.40278192       0.64344012       0.12220997       0.31182975 
O       3.83070435       1.98387278      -2.52515401       0.16044706      -1.11181903       0.16486507 
O       3.79884760       0.97319707      -7.71669605       0.89307960       0.38305261      -0.67225881 
O       9.06665423       1.78012933      -2.52375397       0.09020279       0.52774545       0.17291070 
O       9.02124365       1.04243178      -7.79004190       0.10860549      -0.25912783       0.39740089 
O       3.94667875       7.01122178      -2.42089864      -0.66119187      -0.02859286      -1.06848258 
O       3.83355015       6.15697428      -7.77099332       0.72909684      -0.23121152      -0.41428949 
O       9.03429875       7.08199652      -2.49398386       0.52896648      -0.29215343      -0.21666257 
O       9.05862960       6.15899849      -7.78839352       0.30012919      -0.15397141       0.33134307 
O       1.17892682       2.73600613      -0.17266343       0.82100249       0.53463683       1.36506425 
O       1.29711913       1.88675215      -5.33325836      -0.31845294       0.29568626      -0.16547898 
O       6.39899150       2.81320484      -0.11981062       0.45688672      -0.02822930      -0.51283496 
O       6.49855078       1.94519114      -5.33773581      -0.50025674       0.00046278      -0.94497486 
O       1.26284071       7.86510467      -0.23084224      -0.00974071       0.47445774       1.11742577 
O       1.25777648       7.04184058      -5.35423706       0.08256480       0.38036620      -0.13204940 
O       6.39779235       8.00123076      -0.12775516       0.20880715       0.05272670       0.37428716 
O       6.51351915       7.13782386      -5.36604622      -0.41597111      -0.05719222       0.23195559 
O       3.47671760       3.77852572      -5.94840090       0.64248598       0.36751461      -1.00860443 
O       8.71417511       4.68391293      -0.80662816      -0.63808122       0.78388470       0.16084056 
O       8.69408163       3.81364332      -6.04817200       0.13603207      -0.38981933      -0.06066531 
O       3.52502364       9.88202850      -0.71861562       0.47216867      -0.92083823      -0.79496704 
O       3.49126079       8.91221882      -6.10405453       0.36595477      -1.82758586       0.84249282 
O       8.69770296       9.80245418      -0.77301926       0.18293619      -0.26319037      -0.20234283 
O       8.70729112       8.89701381      -6.10892912      -0.24652197       0.03537646       0.82220444 
O       0.92547158       0.03665471      -1.86152869      -0.50343192      -1.45156572       0.11934895 
O       0.91686862      -0.83525203      -7.08500900      -0.59341884      -1.29189164       0.60501281 
O       6.05470803      -0.01066449      -1.77529610       0.59724985       1.24467005      -0.86332978 
O       6.02316704      -0.81648376      -7.08064758       0.37670978       0.02262465       0.22318370 
O       0.90560357       5.17049879      -1.80960750      -0.12488516      -0.36949660      -0.27226504 
O       1.03459731       4.27083350      -7.19618625      -0.86698107      -0.43979552       0.00118940 
O       6.02055576       5.22162328      -1.64989434      -0.02627071       0.29667178      -1.09558352 
O       6.04898391       4.29700641      -7.15626744       0.08305548      -0.20720904       0.94935145 
O       1.77969752      -0.34247544      -4.44005749       0.61151289      -1.99857730       0.51012915 
O       1.60792506      -1.30607195      -9.70925073       0.76765971      -0.83441957      -0.13873917 
O       6.91411697      -0.37497597      -4.45919176       0.98572620      -0.86119882      -0.15707039 
O       6.85873410      -1.31065174      -9.64251489       0.35394330      -0.25557298      -0.57597135 
O       1.58302067       4.64151539      -4.49769457       0.28269957       0.85132227      -0.01976352 
O       1.54206233       3.73940808      -9.86636363       0.78885276      -0.37156792       1.02688570 
O       7.01152786       4.86321197      -4.38630720      -0.62817719      -0.89482914       0.25843568 
O       6.96196802       3.85973392      -9.71577558      -0.79843615       0.87342516       0.39360822 
O       4.32554537       4.27876559      -3.31546384      -0.26948488       0.56816774      -0.84127942 
O       4.31890286       3.25923019      -8.71544029      -0.65464809       0.52581792      -0.44249231 
O       9.50261282       4.15128648      -3.45080903      -0.04755192       0.03332028       0.70063074 
O       9.48276881       3.34526088      -8.61167068       0.04585398       0.22514662      -0.55179156 
O       4.36494984       9.31382589      -3.60086743      -0.28843070      -0.34762994       1.29519030 
O       4.24394706       8.53056173      -8.61799329       0.15478489      -0.41635638      -0.32545411 
O       9.58283702       9.35603669      -3.43615536      -0.45865560      -0.78151437      -0.17050955 
O       9.42705740       8.52372039      -8.62921810       0.08381628      -0.69843494       0.17025577 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0018742305005677938 0.0017464444329507473 -0.00012328215094124535 0.0017464444329507473 0.0019693910078556055 0.0015088669742246688 -0.00012328215094124535 0.0015088669742246688 0.0022539231087998664" pbc="T T T" energy=-961.53215817 free_energy=-961.53215817 config_type=crystal 
Hf       2.80702859       2.97424851      -4.10067039       0.48372129       0.47033678      -0.56906903 
Hf       2.84714884       2.09536736      -9.34544851      -0.27379046       0.40467892      -1.39953538 
Hf       8.04313401       3.08214639      -4.07989551      -0.75933333       0.10491318      -0.99822525 
Hf       7.98909949       2.12849385      -9.37617123      -0.06723099       0.63377984      -1.17443012 
Hf       2.82787547       8.22191321      -4.18782630       0.30862709      -0.40749697       0.26528923 
Hf       2.77621264       7.26210099      -9.40448154       0.96474998       0.26116129       0.27374268 
Hf       7.92846703       8.19892444      -4.16501546       0.97426081      -1.14763719      -0.33969096 
Hf       7.98760952       7.17010802      -9.43497167       0.61205296       0.25788326      -0.01038600 
Hf       0.16334105       0.77560259      -3.70704441       0.29695376      -0.97792834       0.54044420 
Hf       0.15807483      -0.17185626      -9.02785254       0.36449603       0.41035859       0.56015060 
Hf       5.42345927       0.86223025      -3.72544207      -0.43036217      -0.20025537       0.66731886 
Hf       5.44925546      -0.10049755      -8.94083157       0.08164332      -0.78643743      -0.40861495 
Hf       0.32209042       5.93057192      -3.74388666      -1.07133532       0.82831635       0.71078495 
Hf       0.26153214       5.03258349      -8.92734189      -0.11920555       0.45698645      -0.84822630 
Hf       5.32370153       5.90847360      -3.80623325       0.93932635       0.34138840       1.11187967 
Hf       5.35739289       5.04862616      -8.98105122       0.69250796      -0.02385094      -0.01602810 
Hf       2.43156115       1.26534771      -1.06329690      -0.38039708      -0.45329470       0.10488810 
Hf       2.23233181       0.42629576      -6.36377579       1.96319948      -1.89452808      -0.32721251 
Hf       7.61634246       1.15237786      -1.12734281      -0.72838376       0.62036152       1.44086658 
Hf       7.61362176       0.39566626      -6.28548553      -0.87745342       0.03037497      -0.21521796 
Hf       2.40110283       6.41256620      -1.04843070      -0.07609736      -0.62040824      -0.35023299 
Hf       2.35823569       5.46861452      -6.29015462       1.19452899      -0.15789452      -1.52574325 
Hf       7.59677255       6.27833260      -1.20722370      -0.01189144       0.77285836       0.88506984 
Hf       7.54218183       5.43648293      -6.38579258       0.60589427      -0.00733964       1.08813401 
Hf       5.01193096       3.50722668      -1.48385363      -0.46896161       0.00929298      -0.20359264 
Hf       4.98264093       2.58880575      -6.79222633       0.13601248      -0.98992884       0.32479002 
Hf      10.16811724       3.41362946      -1.58214068       0.76984551       1.46551826       1.30658081 
Hf      10.12533936       2.54776357      -6.83052984      -0.14112050       0.97111064       0.34230072 
Hf       5.05117261       8.60976803      -1.50075757      -0.45662494      -0.69043381      -0.69655737 
Hf       5.04126671       7.75031810      -6.78548422      -1.25256705      -0.36000848      -0.34519621 
Hf      10.16344774       8.58061305      -1.52800029       0.39615277      -1.12993023      -0.42436126 
Hf      10.16862876       7.68547237      -6.76713970      -0.75091376       0.27929030       0.27368916 
O       1.33342375       2.39302080      -2.62471615       0.37256374      -0.79806869      -1.49432871 
O       1.31409490       1.53801598      -7.97043912      -0.42610053      -0.58159601       0.09625357 
O       6.61485174       2.45456161      -2.68423073      -0.92228701      -1.03999993      -0.00238135 
O       6.55203358       1.53308301      -7.89428720      -0.10377303      -0.47283275      -0.82591320 
O       1.29691860       7.60993688      -2.77756571       0.52160651      -0.61060536      -0.02958459 
O       1.34839087       6.76688470      -7.93970286      -0.01831875      -1.18184886      -0.15991893 
O       6.61123873       7.48774360      -2.76810520      -1.56618856       0.04442355       0.21042723 
O       6.56052526       6.59701961      -8.00410294      -0.36488483      -0.37382606       0.25397456 
O       3.89476925       1.44453050      -5.14260165       0.32873724      -0.11448688       0.39870295 
O       4.02262401       0.57595899     -10.36977029      -1.11048792       0.02847604      -0.27309260 
O       9.15913107       1.45635367      -5.16206049      -0.10635133      -0.38961083       0.69120677 
O       9.18442936       0.49407828     -10.46701158      -0.81311688       0.03713491       0.77908231 
O       3.96283939       6.65841188      -5.19134201      -0.40344798      -0.55307569       0.42024341 
O       3.92174536       5.69849379     -10.36796314       0.26341946      -0.00646266       0.00958469 
O       9.16455242       6.67169731      -5.07236859      -0.03443295      -0.25002318      -0.82247129 
O       9.23049048       5.62223754     -10.42142844      -0.31766662       0.10640474       0.39977871 
O       3.90864351       1.97426427      -2.50186266      -0.32739645      -0.68614387       0.17453910 
O       3.86176219       0.96816339      -7.80061116      -0.28752091       0.00276363       0.68280405 
O       9.03337588       1.88170525      -2.46486196       0.95139376      -0.30311403      -1.28820565 
O       8.98810890       1.03225877      -7.77176374       0.70630454      -0.09130576      -0.60908609 
O       3.90438318       6.94478698      -2.47893127      -0.36973861       0.35304636       0.11366002 
O       3.86670101       6.03206996      -7.70248162       0.06249708       0.56825826      -0.62480377 
O       9.02394336       6.97938324      -2.53035894       0.77182142       0.12539394       0.07603483 
O       9.07697636       6.08097017      -7.73443763      -0.08432829       0.07142116       0.02532644 
O       1.23521812       2.88701578      -0.08170169       0.53333131      -0.76377497      -0.08630319 
O       1.20871549       1.88354620      -5.37822176      -0.08120066       0.94164525       0.71801677 
O       6.43821652       2.77590086      -0.09752597       1.01366270       0.10018517       0.60550730 
O       6.51595609       1.95703997      -5.24564169      -1.08107510       0.12584325      -0.60753483 
O       1.32089306       8.04984563      -0.06909175      -0.18380663      -0.88365000      -0.17416066 
O       1.29301995       6.97846423      -5.38184876      -0.31233015       0.80770637       0.38569307 
O       6.52396108       7.90329484      -0.12102271      -0.57518560      -0.04323544      -0.28695627 
O       6.47456759       6.97921445      -5.37735210      -0.23306659       0.75906286      -0.53514737 
O       3.55634716       3.76459676      -6.10334081      -1.13733383       0.22394950       0.83316857 
O       8.65364499       4.60022163      -0.88698925       0.02387873      -0.44371878       0.46952478 
O       8.59163467       3.70382941      -5.99625038       0.71490455       0.30018511      -1.07006109 
O       3.60009643       9.80301727      -0.86560627      -1.57643395       1.01815900       0.80766716 
O       3.49814426       8.91507506      -6.03686549      -0.51294862       0.83411075      -0.63888489 
O       8.66743707       9.68060899      -0.82552848      -0.62539861       1.18732104       0.13238485 
O       8.64862274       8.99526454      -6.07128231       0.29834044      -0.76936069       0.21688256 
O       0.89155246      -0.00765885      -1.78462325       0.23928594       1.07922591      -0.42824722 
O       0.77937987      -0.83550414      -7.11999338       0.79393907       0.59035912       0.68087544 
O       6.07787070       0.06108130      -1.73962320      -0.18242733       0.09109213      -1.40713951 
O       6.10526440      -0.84808562      -7.08205109       0.15550748       0.28295974       0.12534205 
O       0.93376656       5.22118368      -1.83947442       0.09329025      -0.23131592      -0.03739087 
O       0.83273528       4.27687169      -7.05478590       0.55160830       0.45223851       0.25673271 
O       6.09484917       5.13028534      -1.94308558      -0.08359444       0.29901054       0.80893021 
O       6.08215483       4.21944056      -7.00588352       0.20887224       1.05123703      -0.85840460 
O       1.68262079      -0.39219411      -4.45413626      -0.49794707       0.37821141      -0.19004539 
O       1.72296038      -1.26115557      -9.69740040       0.45047028      -0.13838532      -0.27818785 
O       6.82255374      -0.34834701      -4.43661372       0.61030689      -0.85986327      -0.05766512 
O       6.88518010      -1.39522535      -9.73511976       0.38593378       0.49959657       0.23837875 
O       1.82183349       4.71448301      -4.47258095      -0.79591916      -0.12738874       0.58979470 
O       1.69117855       3.76047479      -9.70006608       0.44901605       0.94770157      -0.15500093 
O       6.90570686       4.75230595      -4.39751017       0.15252608      -0.19330203      -0.39955511 
O       6.90132943       3.83249672      -9.70825853       0.23235494      -0.38339923       0.02167092 
O       4.19196971       4.27200330      -3.38875604       0.32486971      -0.42675968       0.01876477 
O       4.38192072       3.31498258      -8.77488988      -0.47171317      -0.69354501       0.66075900 
O       9.58336994       4.24336242      -3.49749684       0.17876895      -0.61015272       0.50640349 
O       9.49993608       3.40632817      -8.73915450      -0.67672398      -1.40556372       0.58613271 
O       4.31446984       9.29070003      -3.41581300       0.79932577       1.06946100       0.10333422 
O       4.37913997       8.35854611      -8.75909941       0.14699515       0.68537517       0.67167646 
O       9.40331298       9.31491668      -3.42345406       1.12204540       1.58598164       0.24020816 
O       9.47691316       8.40170610      -8.64193798      -0.12169752       0.26073478      -0.78525867 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002800352927232029 0.005101657609957306 -0.0011672409119702467 0.005101657609957306 -0.003609023484010634 0.0017446891645468204 -0.0011672409119702467 0.0017446891645468204 -0.003353960992962706" pbc="T T T" energy=-962.01818303 free_energy=-962.01818303 config_type=crystal 
Hf       2.79777385       3.04874993      -4.14374705       0.03783446      -0.52240430      -0.16610070 
Hf       2.81189811       2.11329227      -9.44602605      -0.20048539       1.07406869       0.76986719 
Hf       8.01078944       3.00850985      -4.16404594      -0.27271979      -0.97852690      -0.19664457 
Hf       8.07125087       2.06930938      -9.31378179      -1.05279603       0.78169667      -1.54489476 
Hf       2.75327305       8.03802326      -4.19732271       1.03230634       0.89135318       1.59012811 
Hf       2.84692878       7.24603039      -9.44596400      -0.98224498       0.22596610       0.15871598 
Hf       8.05340887       8.24367895      -4.14032165       0.37552460      -1.75232869       0.15709643 
Hf       8.01140101       7.37764382      -9.36008801       0.39754379      -1.71444648      -0.28828168 
Hf       0.26359306       0.84993820      -3.80730232      -0.51687946      -0.81821913       1.08079179 
Hf       0.23738717      -0.03207629      -8.96520731       0.18447455      -0.89021132      -0.06848790 
Hf       5.44183014       0.75731831      -3.72184278       0.14889646      -0.39814353       0.62911248 
Hf       5.36412591      -0.05335333      -8.99283971       1.08583826      -0.63593715       1.00143846 
Hf       0.15059340       5.88400234      -3.77786046       0.70551868      -0.02346213       0.51339799 
Hf       0.23903102       5.02332392      -9.00887967      -0.18032447       0.73029228       0.30438988 
Hf       5.41651263       5.97194378      -3.67359207       0.23013240      -0.24663603       0.40476688 
Hf       5.45769768       5.07457050      -8.95562731       0.23123411      -0.94759447       0.11948209 
Hf       2.34783418       1.21870680      -1.11495653      -1.33205643       0.00373475      -0.23416075 
Hf       2.45138718       0.29229792      -6.21887266      -0.33615902      -0.25118414      -0.89121778 
Hf       7.65260500       1.25210443      -1.12911509      -1.33262701      -0.55823694       0.07002844 
Hf       7.54403577       0.27876851      -6.35073858       0.29058724       0.33592613       0.08490187 
Hf       2.37534695       6.30836944      -1.11972820       0.00323653       0.36453829      -0.70900523 
Hf       2.34858851       5.49742246      -6.36805300       0.48530249      -1.13791952      -0.12791055 
Hf       7.55121474       6.39646156      -1.01768898       0.42842535      -0.31058153      -0.33238062 
Hf       7.56790103       5.44142771      -6.23157742      -0.18584744       1.71548702      -1.12194349 
Hf       4.84918413       3.49973171      -1.53030244       1.17289519       0.63164939       0.53868002 
Hf       4.97439062       2.60038502      -6.81024481       0.18855025       0.11810211       1.01249463 
Hf      10.08235045       3.48240740      -1.53194725       1.60187130      -0.62832675      -0.51854819 
Hf      10.19959693       2.56234763      -6.82514525       0.30737788       0.28467690       0.96534007 
Hf       4.98395010       8.62488187      -1.50170872      -0.44040337      -1.17029660      -0.72182240 
Hf       4.95732030       7.63344315      -6.76616451       1.09874101       0.10754316      -0.07707448 
Hf      10.16016815       8.58756777      -1.56219398       0.70529609       0.58364314      -0.15764739 
Hf      10.22030250       7.72360200      -6.84187866      -1.22569534      -0.49009789       0.24381465 
O       1.29972533       2.34554291      -2.76194840       0.45508362       0.45306571      -0.21090071 
O       1.36311340       1.44022857      -7.98502454       0.07515050       0.24880511       0.06884468 
O       6.59557879       2.37022357      -2.74077292      -0.91110227      -0.66569541       0.20434774 
O       6.57965545       1.52456711      -7.98833673      -0.45419332      -1.05306862       0.19388324 
O       1.32142618       7.42894193      -2.81021896      -0.37550038       0.06096839       0.03650978 
O       1.29419956       6.61479255      -8.05146216       0.53179544       0.09540970       0.02159974 
O       6.55051951       7.47281155      -2.73906636       0.03748985       0.38618723       0.75126446 
O       6.56184368       6.66271005      -7.92857644      -0.48400828      -0.20471959      -0.22968689 
O       3.99235469       1.45089346      -5.01376493      -0.88453815      -0.26637355      -0.89758934 
O       3.92310265       0.61719637     -10.34280867      -0.14493977      -0.39904651      -0.48671692 
O       9.20990512       1.46660385      -5.21601460      -0.48388752       0.20115125       0.08362240 
O       9.10677282       0.55290171     -10.38039089       0.06733521      -0.62839416      -0.06877101 
O       3.96710284       6.59453843      -5.12752103      -0.23950816      -1.12633780      -0.10091400 
O       3.97273792       5.67826476     -10.33681630      -0.21748360       0.16870020      -0.47661310 
O       9.12669507       6.59316117      -5.10875049      -0.23041565       0.06198213      -0.22407553 
O       9.17156919       5.70413262     -10.34246950      -0.45207874      -0.10402420      -0.42886519 
O       3.83784695       1.94041996      -2.51681843       0.16487842      -0.52017064       0.89503815 
O       3.90676079       0.98510743      -7.61932896      -0.13114728      -0.61842415      -0.85179331 
O       9.04427197       1.83349825      -2.56802118       0.38186403       0.43226376       0.41036129 
O       9.10296104       0.97179067      -7.76494529      -0.45135113      -0.07569221       0.19741204 
O       3.83958733       6.98894029      -2.48586177       0.10147297      -0.02002939      -0.03578763 
O       3.80979253       6.07460512      -7.81094510       0.41293792       0.40227986       0.43762961 
O       9.06579859       7.07006970      -2.52330339      -0.11397699      -0.37109967       0.44510332 
O       9.05220434       6.05090571      -7.71544543       0.28675636       0.65171879      -0.24034559 
O       1.19945025       2.84529993      -0.13117887       0.48009454      -0.03963593       0.17429699 
O       1.33076332       1.91349549      -5.40811839       0.01389651      -0.45612338       0.14597774 
O       6.44703248       2.74483651      -0.09682747      -0.37903297       0.43582425      -0.35718448 
O       6.47025001       1.85662092      -5.38207799       0.01386358       0.06887191       0.00895780 
O       1.28313005       7.92975522      -0.16211181       0.09674985       0.06847236      -0.23630666 
O       1.19899755       6.95883557      -5.43049640       0.77910883       0.47491492       0.50700588 
O       6.46693519       7.94426369      -0.04666292       0.21650795       0.22633122      -0.15676829 
O       6.48968184       6.98710106      -5.22008662      -0.67041449       0.63353253      -1.13511659 
O       3.50464494       3.78010548      -6.01863637       0.25641052      -0.05048295      -0.20468485 
O       8.68885552       4.61200408      -0.76895322      -0.77201888       1.23157857       0.13876825 
O       8.60282377       3.81730138      -6.00471564       1.98652607      -1.80287459      -0.69400245 
O       3.44398006       9.79624984      -0.83571342       0.06175102       0.28814110       0.60689823 
O       3.48090998       8.77081847      -6.03506191      -0.82389245       1.48796668      -0.02875454 
O       8.72612353       9.77450960      -0.82969532      -0.91392340       0.63781208       0.55815192 
O       8.74568607       8.94652488      -6.03687631      -0.08325102      -0.36115534      -0.27682225 
O       0.84451590       0.10299876      -1.89573403       0.47664787      -0.62717128       0.76224075 
O       0.92684590      -0.88820851      -7.00975782       0.43492639       0.70548715      -0.41254301 
O       6.10564666      -0.09779687      -1.89689298       1.28768463       1.97004103       0.76846715 
O       6.05263216      -0.92654553      -6.98683283       0.17269111       0.68475835      -0.71830136 
O       0.93616475       5.11733485      -1.92276779      -0.14386458      -0.14759553       0.57456520 
O       0.98637523       4.26035964      -7.11501096      -0.84172202      -0.51385860      -0.47811026 
O       5.98221692       5.27536066      -1.68464602      -0.43649207      -1.01676205      -0.49099574 
O       6.05588110       4.31504468      -7.04309161      -0.05990324       0.13012672      -0.32253705 
O       1.68515425      -0.52561472      -4.35513716       0.45241378       0.83957854      -1.17684498 
O       1.58822984      -1.29749555      -9.72545061       1.48813057      -0.61048307      -0.40880719 
O       6.97065524      -0.43969330      -4.44209754      -1.18308693       1.28598976      -0.27199502 
O       6.92824632      -1.27332639      -9.70962959      -0.56180828       0.14628900       0.30597467 
O       1.61451085       4.60969677      -4.55511156      -0.62040400       1.23154370       0.24482792 
O       1.78559453       3.88242096      -9.77774772       0.01593818      -1.03616346       0.61602725 
O       6.87009755       4.65014787      -4.40212381      -0.76101513       0.44765879       0.59212537 
O       6.95915651       3.80438092      -9.67536387      -0.08666740       0.32597689       0.47996994 
O       4.15156944       4.28594493      -3.33648822       0.95768240       0.62261514       0.47789291 
O       4.38858921       3.23616332      -8.72200998      -0.40660907       0.29403410      -0.34403428 
O       9.44956829       4.18454234      -3.39593151       0.15612987       0.49365908      -0.10981970 
O       9.60130598       3.26546706      -8.67344005      -0.31133637       0.06331762      -0.21754916 
O       4.31150964       9.28427612      -3.35352332      -0.41121653       0.30127090      -1.22428173 
O       4.28573038       8.45682186      -8.64436939       0.08218543       0.27661360      -0.47254991 
O       9.46977928       9.46895356      -3.43316196       0.29362583      -0.58057975       0.25105634 
O       9.53686401       8.47328055      -8.71624800       0.03436247       0.26847862       0.59836746 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0028479658926252637 -0.0004225747593682525 -0.004066027874471903 -0.0004225747593682525 -0.0029114516586010593 -0.0002389626555709132 -0.004066027874471903 -0.0002389626555709132 -0.00434538844819973" pbc="T T T" energy=-961.68336872 free_energy=-961.68336872 config_type=crystal 
Hf       2.86456568       3.00690956      -4.19884498      -1.28989264      -0.68003836       0.58716451 
Hf       2.85848133       2.18543712      -9.40660119       0.59795512      -0.40288802       0.39105934 
Hf       8.03583348       3.02763291      -4.21361227      -0.26538630       0.19181403       0.53495047 
Hf       8.02831838       2.03800607      -9.40284838      -0.56139339       1.06919325       0.02689541 
Hf       2.78233761       8.18405976      -4.20977651      -0.85091533      -0.85206627      -0.10707691 
Hf       2.78464769       7.33869825      -9.39387059      -0.01881308      -1.52601780      -0.22657156 
Hf       8.05648876       8.12356637      -4.11656733      -1.18061737      -0.10618852      -0.26571641 
Hf       8.04492904       7.25420336      -9.33250507      -0.43609497      -0.14046776      -1.19952873 
Hf       0.19785231       0.82795855      -3.74451806       0.54310565      -0.78835302      -0.10860504 
Hf       0.22123214      -0.06174772      -9.05809202       0.02344493      -0.28119469       1.14226402 
Hf       5.36909309       0.76108431      -3.62705327       0.39308610       0.36261718      -1.28395534 
Hf       5.37948183      -0.11627204      -8.94509145       0.69767825       0.45379038       0.76530904 
Hf       0.25833827       5.92388648      -3.71283234      -0.72142029       1.33217446      -0.90868726 
Hf       0.18927283       5.01632104      -8.90625850       1.03427847       0.09150547      -0.50344310 
Hf       5.35640737       5.92752308      -3.73572330       1.68962270       0.40165200       0.32622808 
Hf       5.43903827       5.07225215      -9.00175428      -0.21776221      -0.11866458       0.13113242 
Hf       2.31070539       1.26764681      -1.06644687       1.64990709      -0.41311665      -0.61852894 
Hf       2.42892399       0.29309831      -6.36779657      -0.28508651       1.59768736      -0.59927722 
Hf       7.48753605       1.20263274      -1.08293625       1.05617023      -0.10996208       0.18488812 
Hf       7.55010246       0.30434110      -6.29047016      -0.50235945      -0.21083700      -0.37552888 
Hf       2.29566555       6.36013691      -1.08584890       1.18579955       1.16162137       0.51703748 
Hf       2.44517005       5.40744538      -6.33260827      -2.05007754       1.39787791      -0.95406507 
Hf       7.62172775       6.37826756      -1.01040945      -0.37260043      -0.06313754      -0.54897630 
Hf       7.62672673       5.46761521      -6.29836870      -0.49914943       0.21475119      -0.55060384 
Hf       4.95466049       3.55148114      -1.47145800       0.29434629      -0.13929155      -0.34922718 
Hf       4.98135575       2.59110320      -6.74019026       0.72429823      -0.60063447      -1.28082976 
Hf      10.21752798       3.47379988      -1.56807588      -1.30585606      -0.10129880      -0.08396692 
Hf      10.23787031       2.44275258      -6.82649804       0.07586584       1.21335824      -0.47525884 
Hf       4.88161889       8.55790773      -1.58378433       0.43324579      -0.49394189       1.06931574 
Hf       4.89798787       7.68338195      -6.77839265       1.95056920       0.28984409      -0.54302747 
Hf      10.19903045       8.66897937      -1.58576306      -0.20524285      -0.87826398       1.90484659 
Hf      10.20629680       7.81222533      -6.85976809       0.00665742      -0.92231190       1.12167302 
O       1.26582273       2.39860307      -2.77489226       0.79834995      -0.21612398      -0.16574339 
O       1.41274836       1.46700622      -8.03468233      -0.65919657      -0.43168146      -0.10075527 
O       6.53510685       2.34772397      -2.68497879       0.17810566      -0.06073334      -0.59195276 
O       6.58752828       1.46038685      -7.95131703      -0.18036302      -0.08176870      -0.05674619 
O       1.40247953       7.60829871      -2.75339021      -0.88766435      -0.74513825       0.39671080 
O       1.32098543       6.59605541      -7.96878339       0.13195673       0.33941026       0.14191709 
O       6.48583317       7.50889449      -2.77651439       0.23007023      -0.02313321      -0.08833022 
O       6.52700450       6.74260825      -8.07648747      -0.64781370      -0.94390103       0.68894498 
O       3.85133387       1.34727087      -5.20402010       0.95834448       1.08784873       1.29909541 
O       3.94260430       0.60264016     -10.35592212       0.18708768       0.21591059      -0.65483452 
O       9.19193490       1.32689951      -5.21199172      -0.48109592       0.70489004       0.75500912 
O       9.11982646       0.54809272     -10.40311321       0.54888161      -0.23376676      -0.30972451 
O       4.00665319       6.53612089      -5.18968333      -1.06729062       0.39411026       0.07754438 
O       3.83431238       5.72159004     -10.33713961       0.85138891      -0.29077192      -0.77391735 
O       9.09881406       6.58343422      -5.03613748       0.63258612      -0.32863727      -0.38175877 
O       9.13069782       5.58326187     -10.23704940      -0.87055351       0.69649135      -0.99058598 
O       3.83178619       1.86169060      -2.56483278      -0.24833360       0.38275169       0.54110539 
O       3.94100450       0.98901127      -7.73337749      -0.09311124       0.43713844      -0.18244843 
O       9.10352783       1.83214841      -2.54587303      -0.55196049       0.42977770       0.04912022 
O       9.10097005       0.92469522      -7.73871683      -0.08074123      -0.13093322      -0.60478829 
O       3.80492541       6.94856175      -2.52355004       0.34946772       0.14484778      -0.00709191 
O       3.86374975       6.12884824      -7.82069437      -0.03758427       0.27455295       0.74940705 
O       9.08434516       7.04786038      -2.43868673      -0.19439554      -0.20829979       0.12941572 
O       9.07276559       6.11621339      -7.66643574       0.28885040       0.31277833      -0.50755125 
O       1.30411855       2.80057701      -0.09440687      -0.84663302       0.50837125      -0.64152757 
O       1.31861093       1.96376037      -5.45020967      -0.27590045      -0.39903115       0.95216595 
O       6.48576210       2.81595007      -0.12701781      -0.63635719       0.04301919       0.05875285 
O       6.37013484       1.92065061      -5.33137319       0.79046111      -0.06073718       0.41381875 
O       1.26611854       8.03690284      -0.11790571      -0.38392682      -0.94893028      -0.00652253 
O       1.29167586       7.13257364      -5.33732786      -0.25495825      -0.96801577      -0.67925831 
O       6.43266946       7.91186238      -0.12919111      -0.29642265       0.36023551      -0.21597261 
O       6.50997678       6.97778256      -5.44306287      -0.84896301       0.83864337       0.64260832 
O       3.49868060       3.77114133      -6.04074189       0.58169568      -0.41964761       0.44994213 
O       8.67471838       4.63888331      -0.88493638       0.28032084      -0.22164675       0.69997989 
O       8.79930498       3.73202181      -6.09844334      -0.53837461      -0.11628112       0.96858089 
O       3.53545768       9.84613369      -0.72776740      -0.28475073       0.49811984      -0.58111170 
O       3.45862529       8.92905489      -6.11693896       0.50404159      -1.33943905       0.82847940 
O       8.69705699       9.80204205      -0.72886335      -0.26033396      -0.11459245      -0.73941245 
O       8.62027978       8.86758089      -6.09011448       0.59255376      -0.10364402       0.25266149 
O       0.91423613       0.04411973      -1.78415114      -0.07663406       0.60252904      -1.06022853 
O       0.94265744      -0.83309057      -7.09916977      -1.08196999      -0.45430991      -0.99663521 
O       5.99058516       0.00956502      -1.80450600       0.29907376      -0.07382544       0.27212813 
O       6.07299183      -0.87553217      -6.98477251      -0.61619708      -0.16048243      -0.64249631 
O       0.98198107       5.14674288      -1.96542327      -0.03372010      -0.40849616       1.10643176 
O       1.05484155       4.17916803      -7.24039256      -0.25050749      -0.23185555       1.18340034 
O       6.07091076       5.23119573      -1.78066348      -0.71261537      -0.66584898      -0.12925139 
O       6.08426323       4.33509932      -7.02946804      -0.09530211       0.00147637      -0.58991134 
O       1.63816622      -0.45502120      -4.54654518      -0.16700569       0.68568891       0.70867487 
O       1.64456228      -1.31742049      -9.75584739      -0.22833393       0.41127415       0.14267938 
O       6.89045442      -0.43331073      -4.37577165       0.31931104       0.29326784      -0.22448999 
O       6.96844128      -1.24146017      -9.61776480      -0.47659685      -0.18760632      -0.47481707 
O       1.58446762       4.67337644      -4.51643780       1.32862217      -0.39930646      -0.57142328 
O       1.73034321       3.78241183      -9.74657978      -0.70235612       0.83962495      -0.81343008 
O       6.84633765       4.69873450      -4.50301312       0.61350826      -0.95056699       0.79296031 
O       6.86840757       3.77900184      -9.67883515       0.58465545      -0.10576889      -0.09916495 
O       4.28115149       4.23081324      -3.41088644      -0.07153423      -0.24657286       0.38481124 
O       4.33574760       3.35625445      -8.68851417      -0.16288153      -0.28620468       0.21872969 
O       9.46529057       4.28558770      -3.39826484      -0.42285562      -0.93678508      -0.26438774 
O       9.50097625       3.27160718      -8.72679699       0.21255419      -0.30269232       0.39365645 
O       4.22896592       9.31609716      -3.49473466       0.99909875       0.69208578       1.02695853 
O       4.13274701       8.61517350      -8.59741834       0.72522839      -0.55651990       0.08148729 
O       9.55711958       9.27174466      -3.39622090       0.05708290       1.55543637      -1.02431391 
O       9.52253195       8.43039505      -8.76209387       1.06168861       0.78404599       1.06942751 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004009735603801416 -0.001021423605084726 0.001859223753067013 -0.001021423605084726 -0.0025515881625826804 0.0003622278108828088 0.001859223753067013 0.0003622278108828088 0.002483280031893972" pbc="T T T" energy=-961.87071756 free_energy=-961.87071756 config_type=crystal 
Hf       2.81613870       3.01263387      -4.12752585       0.13139172       0.37865526      -0.07005140 
Hf       2.75952956       2.11253372      -9.40701880       0.76080711       1.31334671      -0.51021607 
Hf       8.01701250       2.94227778      -4.09146117      -0.16786467       1.23900637      -0.20458011 
Hf       7.90617974       2.20645673      -9.43691554       1.23163749      -0.96074544       0.15618864 
Hf       2.91668153       8.20340081      -4.20213366      -1.33013773      -1.18625443       0.06309023 
Hf       2.91005294       7.25640538      -9.41757346      -1.27489347      -0.22966110       0.14016989 
Hf       8.01041061       8.15472074      -4.18649997      -0.45805264      -0.50431981       0.50427650 
Hf       7.96744393       7.28413645      -9.41156775      -0.02887185       0.05797832      -1.03433402 
Hf       0.25552499       0.69810241      -3.71457816      -0.25404211      -0.24774919      -0.21705523 
Hf       0.28597718      -0.15676779      -8.92114014      -1.32454162       0.06782125      -0.33549413 
Hf       5.41860025       0.76572313      -3.75250134       0.57492104       1.28130500       0.82403789 
Hf       5.37648859      -0.09477068      -8.98244486       0.62048164       0.55904371       0.18086058 
Hf       0.22852675       5.88584749      -3.72777477       0.24340627       0.85320189       0.15653831 
Hf       0.18977375       5.11317429      -9.03398100       0.50569632      -1.19373199      -0.02947073 
Hf       5.40280087       5.88004771      -3.63241602      -0.20902919       0.20150872      -1.20166710 
Hf       5.40543138       5.00782823      -8.87843993      -0.62045740       0.47445683      -1.31345757 
Hf       2.34119364       1.18300647      -1.11559895       0.24642941       0.19513617      -0.13563295 
Hf       2.38834770       0.40774722      -6.40524355      -0.06132752      -1.29889812       0.77156202 
Hf       7.59257850       1.27584928      -1.03922242      -0.02507213      -0.32496988      -0.58351136 
Hf       7.65377080       0.32324715      -6.38824426      -1.04402213       0.79355319       0.41383699 
Hf       2.43264860       6.42028900      -1.14948633      -0.83861854      -0.43471763       0.46592987 
Hf       2.35987476       5.49482174      -6.34992500       0.16917905      -0.08267567       0.30753265 
Hf       7.52200305       6.34723524      -1.15730087       0.40846482       1.18024913       0.34255371 
Hf       7.58864983       5.47965603      -6.35436149      -0.70881858      -0.00293922       1.12840059 
Hf       4.88923820       3.45579168      -1.45440568      -0.31058286       0.35719935      -0.26025480 
Hf       5.00399911       2.59148186      -6.76057379      -0.59013077      -0.57787011      -0.30681846 
Hf      10.20762478       3.46584941      -1.48633744      -1.10378662       0.34610911      -0.81958697 
Hf      10.13555759       2.64039702      -6.74515442       0.37293100      -0.96331646      -1.02242494 
Hf       4.97151936       8.66641538      -1.54109862       1.20867266      -0.20710099       0.11837945 
Hf       5.02050275       7.75505814      -6.76713119       0.34941804      -0.74404584       0.04043419 
Hf      10.12832875       8.51080747      -1.53406060      -0.06044097       0.84558210      -0.36657809 
Hf      10.14829215       7.65514206      -6.79039346       0.11139762       0.33153244       0.06891015 
O       1.33267264       2.32286738      -2.83163910      -0.35859425      -0.55100652       1.14811283 
O       1.35871321       1.51695210      -7.96378374      -0.48418502      -0.72323744      -0.46845934 
O       6.53181770       2.28729418      -2.69974094       0.36572760       1.06258206      -1.05442070 
O       6.48714058       1.50544373      -8.01185731       0.24111793      -0.11128506      -0.25352307 
O       1.31513580       7.46149827      -2.83261187       0.64689823       0.39742924       0.47388671 
O       1.30301406       6.58971181      -8.08195008       0.38282923       0.33686316       0.59669656 
O       6.57408064       7.44358702      -2.72655596      -0.25118073       0.37853267      -0.41661428 
O       6.52834340       6.61303263      -7.99384492      -0.04248089      -0.09201781       0.14751964 
O       3.92902117       1.51490963      -5.11138310       0.18074192      -0.66190594      -0.46710440 
O       3.87909663       0.62433840     -10.41205037       0.02990941      -0.39064606       0.65902333 
O       9.11329263       1.47754851      -5.12777398       0.52281366      -0.62359774       0.63293960 
O       9.14704384       0.50515133     -10.34003158       0.00418142       0.99242359       0.00923607 
O       3.94905584       6.56118885      -5.06408437      -0.13862408       0.06890413      -0.91920657 
O       3.94694713       5.74244204     -10.38753791       0.28803630      -0.58592534      -0.29021772 
O       9.10696140       6.45570321      -5.08123361      -0.41213056       0.92226322      -1.07197318 
O       9.02756718       5.69448292     -10.48613493       0.92218690      -0.13633572       1.17321762 
O       3.90448324       1.90456677      -2.38719365      -0.97893329      -0.64007477      -1.02476251 
O       3.85913864       0.94017906      -7.80115310      -0.01277752       0.28440837       0.50553785 
O       9.03791104       1.87973647      -2.46576984       0.74774808       0.30501408      -0.45698415 
O       9.02781977       0.98000924      -7.75684903       0.58242349       0.29463520      -0.10703712 
O       3.82972974       7.11596057      -2.58859214       0.56901775      -0.14623585       1.25712362 
O       3.86268422       6.14503420      -7.75864295      -0.18939345       0.12881808       0.25362960 
O       9.13206425       6.97229383      -2.50693140      -1.14047702      -0.05665890      -0.20432486 
O       8.99277404       6.09871143      -7.76665909       0.73564248       0.08759823      -0.43558526 
O       1.25713769       2.80628128      -0.12486162       0.14720204      -0.27779719       0.24679604 
O       1.25863929       1.80694666      -5.43653749      -0.32370007       0.71126483       0.80874804 
O       6.35500532       2.80605243      -0.10618202       0.68557297       0.32590559       0.36821763 
O       6.51486012       1.94413705      -5.47718841      -0.24606676      -0.19440569       1.06470304 
O       1.22305316       7.99177924      -0.13835644       0.11789182      -0.51247097      -0.16515528 
O       1.21039030       7.03795821      -5.45516112       0.60302387      -0.42657306       0.29900447 
O       6.48309210       8.00125434      -0.15234931      -0.65214638       0.22015298       0.15846143 
O       6.45932898       7.08237067      -5.37183940       0.09047688       0.04617598      -0.11551202 
O       3.47378473       3.82699767      -6.03534816       0.17812709      -0.63291331      -0.20534028 
O       8.53014553       4.62782853      -0.95562348       0.66216154      -1.07802596       1.10172981 
O       8.63305516       3.71181099      -6.08149308      -0.62587080       0.91040135       0.50082712 
O       3.54051733       9.83095050      -0.79116773      -0.39329809       0.29833280       0.04786509 
O       3.55000315       8.92485802      -6.12607468      -0.57244247       0.37547645       0.61196130 
O       8.68907330       9.88971933      -0.84614596       0.27942193      -1.16143551       0.50127856 
O       8.62891016       8.87633737      -6.03801226       0.94479544      -0.68740056      -0.28760721 
O       0.91775055      -0.11291474      -1.81819047       0.37847186       1.43545331      -0.61949990 
O       0.86003973      -0.88127226      -6.97676036       0.13922328       0.42716281      -1.06630972 
O       6.10403876       0.07742332      -1.83474023      -0.57094879      -0.96043527       0.27285364 
O       6.17102687      -0.87546340      -7.03264626      -0.80812812       0.13247923      -0.91349174 
O       0.90798845       5.19059605      -1.80993900       0.21757056      -0.24412211       0.87270100 
O       0.84974970       4.31558496      -7.03784825      -0.03524505       0.20646365      -0.28618799 
O       5.92774309       5.20987441      -1.71151387      -0.04082306      -0.01156601      -0.27607509 
O       6.01504318       4.28896533      -6.99165187       0.39189593       0.59268740      -0.76242581 
O       1.70875508      -0.54013624      -4.44335467      -0.54768399       1.72750210      -0.47183965 
O       1.75093729      -1.33395289      -9.73211785      -0.28124873       0.46874917       0.48785318 
O       6.84825528      -0.39824404      -4.42292012       1.02503567      -0.66636107      -0.53351011 
O       6.98584720      -1.21996074      -9.63604622      -0.46534405      -0.36252599       0.16895964 
O       1.69351990       4.66044592      -4.33757934       0.38222598       0.51633425      -1.41391522 
O       1.85732248       3.95358597      -9.68803871      -0.67304266      -0.32546484      -0.01232488 
O       6.83259679       4.76505265      -4.48828300       0.84383439      -1.17482709       0.76403303 
O       6.89024890       3.92843386      -9.70602285       0.55700731      -0.63237072       0.21570616 
O       4.25317167       4.20049987      -3.37009083       0.32796950       0.16057110       0.27317146 
O       4.37817887       3.24866177      -8.78593744      -0.15564670       0.07767882       0.73721631 
O       9.55838013       4.24169745      -3.38516106      -1.37761188      -1.79795964      -0.36003048 
O       9.50059014       3.32057316      -8.71544008      -0.02412226       0.08866279      -0.21220900 
O       4.27569991       9.44884058      -3.43596625       0.11045440      -0.43804105       0.36540616 
O       4.34160118       8.47444686      -8.72413646       0.30281951      -0.09328175       0.38116089 
O       9.46663850       9.32476445      -3.45217600       0.25925860       0.34242086       0.12060710 
O       9.54678446       8.38066263      -8.70752821       0.40474009       0.55220473       0.31079248 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0029107298280706506 0.0009802696154783388 -0.002941211018075543 0.0009802696154783388 -0.0016799450541576646 0.0032369253505961535 -0.002941211018075543 0.0032369253505961535 -0.003776712555559967" pbc="T T T" energy=-960.86800908 free_energy=-960.86800909 config_type=crystal 
Hf       2.80125688       2.97440303      -4.06716639      -0.01608272       0.06089711      -0.99718909 
Hf       2.80592639       2.13681009      -9.41641808       0.44018644      -0.36348401      -0.06284582 
Hf       7.97661596       3.07914597      -4.17597124       0.38316673      -1.00754905       0.36485245 
Hf       8.07722415       2.14889942      -9.45429726      -1.25537016      -0.56412418      -0.00076710 
Hf       2.89905907       8.19758006      -4.09675777      -1.36195269       0.79686670      -0.52508139 
Hf       2.81114876       7.34663625      -9.30277602       0.24365131      -0.37381932      -0.99983782 
Hf       7.99400516       8.07175201      -4.10787841       0.01170739       0.64256131      -1.26156181 
Hf       8.14853919       7.21634946      -9.41430862      -1.96375918       0.34714995       0.07843716 
Hf       0.16325761       0.69951121      -3.68893101       0.89384965       1.05859986      -0.61362319 
Hf       0.17766802      -0.11235005      -8.95422202       0.85428087       0.42484869      -0.33656982 
Hf       5.43394952       0.80384923      -3.72306484       0.03313494       0.10993291      -0.81175681 
Hf       5.45092778      -0.06418009      -8.99651565      -0.24236998       0.55103798      -0.67471409 
Hf       0.20860834       5.92780727      -3.78506628       1.15866005      -0.23750494       0.52923249 
Hf       0.29885242       4.98346262      -9.03160503       0.35539299       0.22205817       1.04006142 
Hf       5.28882359       5.96631045      -3.75376351       0.72711342      -1.14503592       1.11606412 
Hf       5.43114954       5.04677607      -9.06433787      -0.52605262      -0.72682936       1.49207387 
Hf       2.36164911       1.28285077      -1.08153957       0.00575570      -0.82212396      -0.65529429 
Hf       2.32249339       0.35501056      -6.34960756       0.95239215      -0.18442082       0.28264240 
Hf       7.51082320       1.15626118      -1.10469924       0.25135273       1.46069583      -0.61887183 
Hf       7.55664772       0.33741839      -6.36070143       0.59200073       0.18000627       0.43706227 
Hf       2.40288196       6.39181139      -1.00117492      -0.38707174      -0.24375675      -1.60878831 
Hf       2.40731592       5.43783170      -6.34273241      -0.24441154      -0.14033230       0.11140812 
Hf       7.64402075       6.38027842      -1.19947951      -1.74767645      -0.79760245       0.79738572 
Hf       7.54679990       5.41726454      -6.34030321      -0.87333087       0.87413691      -0.46404339 
Hf       4.97139645       3.48168173      -1.48100345      -0.33875943       0.96995041      -1.11809406 
Hf       4.93566432       2.56386854      -6.78697436      -0.38581976       0.71668114      -0.48982991 
Hf      10.14179676       3.44315093      -1.55025775       0.90728213      -0.11348198      -0.72059735 
Hf      10.19075333       2.57809961      -6.75965730       0.82464890      -0.47817188       0.03509125 
Hf       4.96928794       8.60762235      -1.45113328      -0.47082451       0.61714052      -1.05762998 
Hf       5.02175176       7.77236604      -6.82447405      -0.78345955      -0.63194220       0.52742996 
Hf      10.16292802       8.60902801      -1.48883500       1.66057084      -0.09668913      -1.94078973 
Hf      10.11384707       7.71993725      -6.74200161       0.63892876      -0.67073869       0.11957366 
O       1.28296775       2.30516524      -2.74149252       0.60914130       0.45363012       0.66791447 
O       1.30518283       1.48017970      -7.93451315      -0.47009865      -0.85886335      -0.30889687 
O       6.52251714       2.44034557      -2.70262503       0.16921969      -0.69334616      -0.95924212 
O       6.49715225       1.53652309      -8.03737531       0.19750135      -0.23835327      -0.13065422 
O       1.33102328       7.73448903      -2.76437088       0.21065067      -1.30244434      -0.26294299 
O       1.39129365       6.46899214      -8.02400113       0.11862488       0.76762479      -0.05591325 
O       6.45379126       7.47762109      -2.79705689       0.87438437       0.03504601       0.39913276 
O       6.51665743       6.59211974      -8.04272420       1.22189096       0.30378399      -0.27236556 
O       3.95628229       1.40534736      -5.21279575      -0.12505033       0.14068174       0.46560013 
O       3.99243937       0.71816615     -10.48293782      -1.20574896      -0.89452939       1.04894915 
O       9.16897515       1.42433917      -5.14476215      -0.94513320       0.32908629      -0.17844766 
O       9.12857976       2.27575223      -0.01029498      -0.14321097       0.21818733       1.50481705 
O       3.92733430       6.63894208      -5.11855531      -0.46660918      -0.21021559       0.27292283 
O       3.93686293       5.75489162     -10.36569438      -0.33982009       0.23713025       0.50560577 
O       8.98811347       6.46778854      -5.05767050       0.30799344       0.28672926      -0.75071469 
O       9.21494254       5.70334105     -10.44446882      -0.93960952      -0.69387432       0.39388368 
O       3.88764535       1.84608958      -2.50648943      -0.12544853       0.18332400      -0.32600032 
O       3.80168311       1.06831027      -7.88272920       0.69392357      -0.77613472       1.09193946 
O       9.06126468       1.94152518      -2.52910244      -0.75521138      -0.69597363      -0.25443878 
O       9.01692513       1.00850268      -7.77378427       0.32165342      -0.52647551      -0.24596802 
O       3.84970529       7.08052428      -2.38568650       0.23358518      -0.17765099      -0.91439521 
O       3.90676578       6.14467736      -7.70306755       0.17596826       0.84810443      -0.38293672 
O       9.12900036       6.96017183      -2.61902105      -1.32183543       0.48932691       1.69071906 
O       9.19699321       6.10420533      -7.73372632      -1.38620037      -0.29899730      -0.47742638 
O       1.19914322       2.70266358      -0.08945616       0.02536591       1.44191545      -0.02340427 
O       1.22469607       1.92894202      -5.28086968       0.21310555      -0.16946293      -0.90423942 
O       6.40226184       2.75303621      -0.21260702       1.31012969      -0.27354096       1.58070989 
O       6.45604461       1.90073328      -5.39291124       0.27131373      -0.00405262       0.08229948 
O       1.28075878       7.96486312      -0.13178528       0.06638629      -0.09857405       0.62969883 
O       1.13418517       6.95971623      -5.41532011       0.56436386       0.04521910       0.18885632 
O       6.45367936       7.93917113      -0.17375770       0.92325051      -0.21638964       0.12629111 
O       6.42655996       6.96699674      -5.35440034       0.01343680       0.79107112      -0.48199783 
O       3.49452272       3.78036681      -5.92056122       0.94144473      -0.55386988      -0.49282963 
O       8.62996894       4.60000823      -0.87054470      -0.09442607       0.78887729      -0.00487639 
O       8.74542267       3.82866949      -6.09461871      -0.52888866      -0.44592104       0.40085693 
O       3.57878167       9.92666987      -0.73967118      -0.11270484      -0.52392526       0.14464784 
O       3.48131084       8.89355737      -6.06668957       0.37760802       0.16175953      -0.04534989 
O       8.59222037       9.77218192      -0.87695867       0.53653978      -0.92277949       0.35476082 
O       8.67909134       8.86744563      -5.97528366       0.24211924      -0.07773169      -1.16967482 
O       0.77633739       0.04498901      -1.75781799       0.66768763       0.50639902       0.09949931 
O       0.94307887      -0.98988825      -7.06442229      -0.22372301       0.95091519      -0.69114070 
O       6.06038030      -0.00521479      -1.97046082       1.03895614       0.17284860       1.22803378 
O       6.16094277      -0.84673398      -7.22928945       0.08220149      -0.35161032       0.85030971 
O       0.85480583       5.29139298      -1.85056482       0.30640791      -0.42647667       0.40127282 
O       1.07258454       4.13177284      -7.17146830      -0.88356995       0.32243091       0.08497921 
O       6.02469463       5.22002314      -1.68149742       0.46756209       0.58489396      -0.71953249 
O       5.97806755       4.32317004      -7.04070871       0.49363892      -0.27182325      -0.54979945 
O       1.81909752      -0.35673229      -4.48468099      -0.88725887      -0.06640495       0.72038608 
O       1.72002616      -1.27762820      -9.77241920      -0.40064387      -0.36629683       1.31531033 
O       6.98959955      -0.47555186      -4.56320720      -1.55364229       0.82793936       1.13039872 
O       6.94313935      -1.34388238      -9.72502187      -0.18721115      -0.11989048       0.11264116 
O       1.74978958       4.65678127      -4.46600622      -1.09209131       1.11826216       0.34383763 
O       1.77126902       3.79625950      -9.71854228      -0.80707115       0.78451141      -0.40906969 
O       6.68411033       4.63207373      -4.49366550       0.92170382      -0.02589213       0.15794525 
O       6.89743784       3.80417312      -9.67843372       0.86463943       0.28927584      -0.34521952 
O       4.13923554       4.30559366      -3.23338623       0.26816382       0.14510017      -0.38202263 
O       4.16110046       3.43459282      -8.68442639       0.88829482      -0.06928247       0.35436441 
O       9.54466432       4.19757859      -3.50060690      -0.44327357       0.00145217       0.23133665 
O       9.61499612       3.21569000      -8.79025182      -0.03768274       0.70884976       0.29637547 
O       4.32480569       9.41605018      -3.44957038      -0.14464517      -0.83060436       0.34532530 
O       4.21378279       8.62794402      -8.60500785       0.23352522      -0.68597074      -0.20956115 
O       9.59151468       9.27164248      -3.51896130      -1.00683477      -0.55290719       0.72047971 
O       9.61084499       8.39739125      -8.72655873      -0.57220090       0.11098811      -0.01148067 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002530986176776947 -0.001663575161063791 0.0011454631132263244 -0.001663575161063791 -0.002115217383653886 0.00033248258218498657 0.0011454631132263244 0.00033248258218498657 0.00296403791463938" pbc="T T T" energy=-962.03767332 free_energy=-962.03767332 config_type=crystal 
Hf       2.81666974       3.01475712      -4.13460429      -0.08470064       0.32815287       0.31954580 
Hf       2.75363338       2.10196264      -9.41020667       0.64219546       1.34940022      -0.11154027 
Hf       8.01935385       2.94788045      -4.09730580      -0.21461321       1.38540543      -0.13533143 
Hf       7.91041919       2.20156832      -9.43486383       1.43078723      -1.08325105       0.24887286 
Hf       2.92151063       8.19875156      -4.20826957      -1.53985570      -0.72022299       0.26525821 
Hf       2.90662372       7.26193600      -9.41664584      -1.26021550      -0.38650917      -0.03618804 
Hf       8.01149961       8.15031107      -4.18958714      -0.24722481      -0.43515906       0.44215060 
Hf       7.98154959       7.28717774      -9.40996957      -0.33220914      -0.07261299      -1.01361171 
Hf       0.25289978       0.69394449      -3.71129232      -0.03115306       0.32420445      -0.25056489 
Hf       0.28563877      -0.15464231      -8.92112113      -1.49495430       0.18336988      -0.17786102 
Hf       5.40683875       0.76653567      -3.75869984       1.42176866       1.53959862       0.67199111 
Hf       5.37689828      -0.09889641      -8.98450361       0.53275173       0.88207361       0.14757998 
Hf       0.22710587       5.89293510      -3.71715354      -0.08792787       0.53635212      -0.26594573 
Hf       0.19575669       5.11526001      -9.03569438       0.36209144      -1.43111347       0.03886242 
Hf       5.39987216       5.87802220      -3.64049013       0.06904984       0.08304471      -1.21067319 
Hf       5.40169482       5.01190916      -8.88011897      -0.43907285       0.08091969      -1.29596372 
Hf       2.33212519       1.19282257      -1.10836835       0.47879913       0.26009430      -0.22399093 
Hf       2.38656379       0.39348514      -6.39882853      -0.31121823      -0.62589486       0.73886287 
Hf       7.59123774       1.28243079      -1.03423947       0.00498050      -0.13592853      -0.85772151 
Hf       7.65880583       0.33247864      -6.39115334      -0.82894623       0.73061442       0.67260098 
Hf       2.43059537       6.40870479      -1.14247373      -0.73703369      -0.48591877       0.43694245 
Hf       2.36521745       5.49363295      -6.34862660      -0.09761460      -0.42383772       0.41864660 
Hf       7.52590731       6.34664645      -1.15604657       0.37229040       0.64894306       0.23662346 
Hf       7.58233066       5.48246020      -6.35484914      -0.49017170      -0.16337428       1.17442851 
Hf       4.88782585       3.45563153      -1.45761109      -0.28544979       0.31985735      -0.21216586 
Hf       4.98496991       2.58282284      -6.76111961      -0.46027386      -0.55432585      -0.34405466 
Hf      10.22258889       3.46425863      -1.48078147      -1.29930423       0.37844397      -1.14471024 
Hf      10.14376426       2.64020055      -6.74656569      -0.09588646      -1.09042267      -0.76606048 
Hf       4.97626721       8.66452960      -1.53974656       1.21295878       0.06030073       0.26564565 
Hf       5.01201377       7.76512411      -6.77082341       0.59933793      -0.82713983       0.07896361 
Hf      10.12827628       8.51620542      -1.54111090       0.19867713       0.90308318      -0.60078123 
Hf      10.15701210       7.65670213      -6.79247971      -0.08902568       0.23504362       0.10747118 
O       1.34379317       2.28255231      -2.78969598      -0.33852466      -0.00495027       0.78582984 
O       1.33472036       1.50108474      -7.95408771      -0.21463853      -0.62666251      -0.61503240 
O       6.53194000       2.33383214      -2.71902768       0.12579632       0.64970615      -0.82530039 
O       6.46533270       1.50047116      -8.03233030       0.49421086      -0.14617401      -0.10187785 
O       1.31182025       7.45592615      -2.83009919       0.87272305       0.73483714       0.35804522 
O       1.29409867       6.58723245      -8.05175985       0.71610659       0.25189927       0.24743086 
O       6.56143867       7.43688654      -2.74049161      -0.11096215       0.47001216       0.07591435 
O       6.52436848       6.61289099      -7.96486173       0.17506298      -0.01564270      -0.03571878 
O       3.93271388       1.51035352      -5.11725439       0.12130135      -0.69316576      -0.29362204 
O       3.87155286       0.63134684     -10.37142791       0.31121153      -0.56016525       0.13542549 
O       9.12627956       1.49799747      -5.13098401       0.31462358      -0.78587647       0.60159029 
O       9.14799486       0.52753791     -10.29516783      -0.10101683       0.68241965      -0.44336008 
O       3.92695932       6.52274609      -5.11451836      -0.15277965       0.65617431      -0.45741310 
O       3.97049735       5.74315445     -10.35018638      -0.07698118      -0.45056521      -0.78368718 
O       9.09418996       6.46674448      -5.07502818      -0.44082533       0.77892367      -1.34520019 
O       9.04507161       7.50582935      -0.01612501       0.68358504      -0.44323959       1.31301374 
O       3.89833239       1.91322746      -2.38032826      -0.77707023      -0.62128141      -1.09305360 
O       3.85251150       0.93835724      -7.79006343      -0.03952659       0.19131495       0.49998051 
O       9.02256696       1.88999332      -2.47152595       0.94920895       0.13231604      -0.10347991 
O       9.04707320       0.97232223      -7.74409523       0.25238053       0.31328419      -0.13400021 
O       3.84223768       7.11301929      -2.57368225       0.43176481       0.10178795       0.81648519 
O       3.86610346       6.10050222      -7.78344123      -0.39235596       0.56252569       0.54626421 
O       9.10859309       6.96408787      -2.54722970      -0.97986987       0.39141718       0.36573171 
O       9.04796978       6.08769354      -7.78806118      -0.08621186      -0.01880508      -0.08182276 
O       1.23926119       2.80020572      -0.10652707       0.30797575      -0.21040312       0.20780217 
O       1.25301337       1.81629964      -5.42595920      -0.12860018       0.61825626       0.77299219 
O       6.36077308       2.80659409      -0.12515511       0.56646135       0.29562975       0.50595239 
O       6.50942963       1.95951916      -5.47802457      -0.15465538      -0.57901706       0.92797863 
O       1.24010883       7.95092596      -0.16141373       0.02132070      -0.13262131       0.10179078 
O       1.18210262       7.03433909      -5.43632548       1.05445248      -0.44636366       0.23216646 
O       6.45950852       8.00194890      -0.12474495      -0.31608236       0.03627641      -0.11760344 
O       6.44669033       7.09567773      -5.34491590      -0.08205392      -0.05640665      -0.35648862 
O       3.46790310       3.80689747      -5.98379816       0.10658543      -0.22909863      -0.70657828 
O       8.56508456       4.60001058      -0.97378173       0.05859088      -0.30685447       1.25701708 
O       8.61782237       3.73810643      -6.09090329      -0.32255515       0.54290045       0.34287165 
O       3.54264163       9.83749199      -0.78930325      -0.21640491       0.07689821       0.12375554 
O       3.54253045       8.95514041      -6.13338718      -0.24094965      -0.30111230       0.80526052 
O       8.68607081       9.87980404      -0.81378106       0.33433442      -0.87974615       0.17622688 
O       8.66225272       8.87779805      -6.04608637       0.59614485      -0.42168443      -0.15414557 
O       0.96193943      -0.10138885      -1.81771511      -0.32116080       0.67790343      -0.53939641 
O       0.88205698      -0.89031739      -6.98601421      -0.04122984       0.20977076      -1.06589627 
O       6.12424747       0.10489186      -1.85496845      -0.75902506      -1.28084699       0.42790836 
O       6.17895050      -0.86444476      -7.00211434      -1.12460906      -0.21140989      -1.16708621 
O       0.91101109       5.21693772      -1.83257669       0.10734713      -0.68108003       1.20763829 
O       0.84555940       4.26910482      -7.02028497       0.61662137       1.05088109      -0.44460815 
O       5.91417981       5.20758163      -1.71184401       0.29319704       0.26732059      -0.15093958 
O       5.99185194       4.27716634      -7.00903233       0.65416429       0.79911598      -0.45952274 
O       1.72735070      -0.50066435      -4.44050072      -0.11762696       0.88484415      -0.43348144 
O       1.71881715      -1.33436277      -9.74252845       0.00788217       0.08847714       0.57043482 
O       6.85575209      -0.44304444      -4.41812093       0.60348318       0.15008179      -0.51205177 
O       6.96150544      -1.21511346      -9.64767813      -0.25568818      -0.62590163       0.31674578 
O       1.68150664       4.66162693      -4.32532873       0.53737599       0.35515552      -1.47232523 
O       1.85410440       3.92966637      -9.69719732      -0.76339888      -0.13182588       0.01114826 
O       6.84339782       4.74936292      -4.47306797       0.58603379      -0.70517919       0.46363180 
O       6.92234245       3.91141907      -9.69703372       0.12559230      -0.09912185       0.00817084 
O       4.25377794       4.22860579      -3.37573783       0.01924267      -0.25574640       0.36838386 
O       4.34895678       3.24143840      -8.76923447       0.08717455       0.32465457       0.61837041 
O       9.53838744       4.24083109      -3.38921743      -0.93538542      -1.59251824      -0.27774365 
O       9.49265134       3.34127116      -8.71646651       0.01304248      -0.06245207      -0.26427410 
O       4.28060589       9.47961302      -3.42660813      -0.46647882      -1.28649618       0.25614188 
O       4.33438408       8.47048519      -8.72934118       0.33850727      -0.13530943       0.66344348 
O       9.50091931       9.34534690      -3.44937003      -0.25097681      -0.23542916       0.19537889 
O       9.52697516       8.36011920      -8.72304765       0.82451313       1.01430333       0.54691651 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004472810217653627 -0.0017034829272675406 -0.0010197297344060707 -0.0017034829272675406 -0.005085323817752216 0.0015612550124161693 -0.0010197297344060707 0.0015612550124161693 -0.0017501756882458187" pbc="T T T" energy=-961.28245037 free_energy=-961.28245037 config_type=crystal 
Hf       2.75978039       2.93428356      -4.11743447       1.01837965       1.79829663      -0.52499772 
Hf       2.88137707       2.05321438      -9.39716715      -0.93033192       1.31013527      -0.43353719 
Hf       8.04113762       2.97904129      -4.12354634      -0.32856347       0.82842877      -0.19290394 
Hf       7.96500886       2.11843738      -9.44995821       1.41251456      -0.01187183       1.27029141 
Hf       2.90437194       8.22516417      -4.15651376      -0.87734453      -1.10455562      -0.59293875 
Hf       2.78398593       7.29144094      -9.42655513       0.56482795      -0.80581895       1.16348263 
Hf       8.01451166       8.12563981      -4.10879722       0.65493424      -0.63299625      -1.57316647 
Hf       7.99730792       7.30783487      -9.37636370       0.58969813      -0.41320471      -0.89329711 
Hf       0.18537408       0.75791805      -3.73684035       0.34151940      -0.61910781      -0.61178803 
Hf       0.23341434      -0.08612315      -8.98706249      -0.05648421       0.36683397      -0.17838705 
Hf       5.46582185       0.85305029      -3.65590068      -0.39471893      -0.87658559      -0.27654884 
Hf       5.41320623      -0.07865115      -8.97661347       0.42397704      -1.20597776       1.43068992 
Hf       0.24469404       5.93957390      -3.76004129      -0.12333838       0.04403270       0.30316213 
Hf       0.20438947       5.07881574      -8.96978987       0.27641395      -0.32441822      -0.52901160 
Hf       5.46496621       5.91657313      -3.69738356      -0.90511644      -0.46892716       0.07014456 
Hf       5.37896761       5.06596458      -9.03364151      -0.39899194       0.36085538       0.34665410 
Hf       2.45379565       1.16344696      -1.10227759      -1.78488967       0.58056126       0.56495090 
Hf       2.35139909       0.37763661      -6.39691732       0.49573375      -1.03663194       0.17599609 
Hf       7.55389741       1.24356642      -1.06486411       0.77682249      -0.66372864       0.65087136 
Hf       7.54302241       0.31384350      -6.28049891       0.87029108       0.30110418      -1.44041136 
Hf       2.34899924       6.36585453      -1.10628493       0.14364728      -0.11678398      -0.14855806 
Hf       2.35719261       5.40424332      -6.26784770       0.05552706       0.98739518      -0.91963895 
Hf       7.60924111       6.37965558      -1.07717616       0.41149286       0.32683028      -0.40449831 
Hf       7.48500300       5.43979866      -6.35292008       1.84966482       0.29005222       0.82083671 
Hf       4.94820022       3.52655733      -1.44903316      -0.76017108       0.45970008      -0.40523508 
Hf       5.02135153       2.57558971      -6.74278223      -0.68089548       0.02736812      -0.38525030 
Hf      10.12258115       3.46248361      -1.61174802       1.24195241      -0.08083838       0.66904496 
Hf      10.14942209       2.57589509      -6.80189013      -1.03840837       0.14182421      -1.15708033 
Hf       4.97417554       8.60719814      -1.59480018       0.12507219      -1.05910629       1.61370249 
Hf       5.02754965       7.70715452      -6.75221322      -1.00473312       0.47532435      -0.56346853 
Hf      10.12543183       8.61799566      -1.55674585       0.94542469      -0.69554006       0.94503879 
Hf      10.17157908       7.68809700      -6.82902049       0.27380456       0.66230966       0.77052657 
O       1.26854883       2.33218960      -2.90113271      -0.26490235      -0.35164008       0.73414810 
O       1.37469380       1.41990462      -8.05167952      -0.08561835       0.82109411      -0.09069069 
O       6.57540416       2.31355862      -2.61276123      -0.49344211       0.14885974      -1.03798823 
O       6.51949845       1.46253353      -7.94583509       0.10104964       0.68239863      -0.11851580 
O       1.36265103       7.46366473      -2.82775598       0.13069189       0.44950696       1.05596583 
O       1.25749844       6.73093852      -7.98768402       0.71602637      -0.69593640      -0.26381958 
O       6.62927763       7.43404287      -2.75025085      -0.48099397       0.22607239       0.28257461 
O       6.53002548       6.63382066      -7.98352505       0.19068508      -0.43238794      -0.21452151 
O       3.86075392       1.53176623      -5.20379528       1.53220363      -0.88920815       1.47492368 
O       3.96563012       0.45864124     -10.35173889      -0.46266625       0.95423666      -0.42546609 
O       9.05990843       1.48007853      -5.16151058       1.21127898      -0.96183127       0.45629069 
O       9.03589999       0.53414641     -10.32212588       0.40853076      -0.39422465      -1.14739384 
O       3.99044184       6.61941202      -5.10898560      -0.16295550      -0.27371177      -0.20488674 
O       3.92397938       5.67782072     -10.43292322       0.47818934      -0.12814668       0.33022315 
O       9.09662275       6.52393915      -5.16818265      -0.06346957       0.67277760       0.26701381 
O       9.14453811       7.46356245      -0.03384559      -0.09526767       0.08461621       1.68807718 
O       3.81788553       1.95315374      -2.43059635       0.77031404      -0.50321644      -1.03556788 
O       3.85577759       0.95548378      -7.72432557       0.77848734       0.58262817      -0.78471306 
O       9.04470837       1.86113056      -2.56466656       0.18494882      -0.20281694       0.62032260 
O       9.08235365       1.03088717      -7.83520366      -0.38366667       0.10420430       0.72747851 
O       3.90325583       7.06401370      -2.55517277      -0.17722192      -0.51307291       0.57353230 
O       3.76093747       6.15302388      -7.72337358       0.69386412       0.04230976      -0.44495289 
O       9.14227022       6.98155789      -2.47811181      -0.61922427      -0.22880239      -0.65568620 
O       9.12697893       6.14964285      -7.79983317      -1.56400962      -0.24377245      -0.00928613 
O       1.21456481       2.77202122      -0.17154596       0.31843742      -0.20340075      -0.30305457 
O       1.21126932       1.88295818      -5.52495441       0.14087365       0.33960585       1.38464520 
O       6.44068754       2.77230258      -0.06685166      -0.12722946       0.63558476      -0.04648242 
O       6.53587439       2.01148552      -5.31613369      -1.71196678      -0.86567291       0.16820120 
O       1.24957407       7.96239047      -0.03719906       0.07005631       0.46185493      -1.17165803 
O       1.21745611       7.00148730      -5.34130412       0.38945719       0.22807871      -0.56898728 
O       6.51013617       8.10122271      -0.22049622      -0.21851206      -1.16275019       0.94040239 
O       6.50860433       7.02776784      -5.32800995      -0.32871829       0.00092663      -0.32535055 
O       3.48198392       3.76790581      -6.01452875       0.37838792      -0.11831442      -0.17189354 
O       8.72350788       4.59560433      -0.79807932      -1.14933421       1.10035702       0.01478543 
O       8.59393009       3.74256778      -6.03290121       0.67951497       0.16148997      -0.66832201 
O       3.43797645       9.72979881      -0.86552762      -0.00698153       0.23719703       0.07714565 
O       3.63970340       8.99911348      -5.96181634      -0.48116845      -0.17152541      -0.56853138 
O       8.60759250       9.76721350      -0.88786930       0.01455770       0.57542760       0.51872748 
O       8.65734435       8.93856012      -6.13747034       0.26083203      -0.56210107       0.94887045 
O       0.86012753       0.04087387      -1.82393166       0.32118359       0.42099364      -0.07785576 
O       0.90290105      -0.82478385      -7.08692830      -0.29551814      -0.64741116       0.11300634 
O       6.05890239       0.00712445      -1.79310153       0.24767819       1.08532050      -0.50337618 
O       6.09945706      -0.82774347      -7.05810913      -0.51309511      -0.53415950       0.00045748 
O       1.00595335       5.05841166      -1.93241940      -0.11286597       0.25295445       0.37839354 
O       0.86290548       4.25475376      -7.11557946       0.62959049       0.69699840       0.27533587 
O       6.06883966       5.15306517      -1.78469539       0.44923315       0.44449415       0.57457864 
O       5.96368967       4.37150399      -7.01558858      -0.23079911      -0.45492208      -0.50732965 
O       1.76476324      -0.36772608      -4.48902907      -0.61688728       0.21707662       0.68671323 
O       1.90343814      -1.23287006      -9.63030618      -0.89533103       0.43875333      -0.36954001 
O       6.88077233      -0.45145776      -4.46945115      -0.40351641       0.57367375       0.91253822 
O       6.98292711      -1.29938822      -9.58098293      -0.44223919       0.73283660      -0.86255748 
O       1.73860713       4.67119967      -4.43303060      -0.53871405       0.07247302      -0.18512087 
O       1.69922957       3.88706009      -9.79301862       1.06918409      -1.50183778       0.39855298 
O       6.88182497       4.62111919      -4.35822223      -0.68808424       1.13106201      -0.80261824 
O       6.94515195       3.94308167      -9.70572348      -0.09777372      -0.33028022       0.23999676 
O       4.22794829       4.31945660      -3.23453510      -0.51323509      -1.06675863      -0.58170760 
O       4.39640968       3.30011502      -8.73557936      -0.51630451      -0.56236497       0.20068156 
O       9.39165715       4.31528166      -3.40019873       0.56428572      -0.66482597       0.04768164 
O       9.55182760       3.34861518      -8.76664177      -0.83652477      -0.52017369       0.38721670 
O       4.35422082       9.32445582      -3.37884537       0.58523829       1.99178852      -0.80581215 
O       4.42438846       8.42526089      -8.73614314      -0.37981592      -0.37367225       0.31778661 
O       9.53505164       9.24754473      -3.40248650      -0.06385824       1.26653080      -1.09022783 
O       9.54049854       8.53885824      -8.70058501      -0.51715521      -1.20388205      -0.31153816 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.001157023330595338 0.00031276860084862877 6.358032483905286e-05 0.00031276860084862877 -0.003961036609578769 0.003321108254184307 6.358032483905286e-05 0.003321108254184307 -0.0073508142280339535" pbc="T T T" energy=-961.8085689 free_energy=-961.8085689 config_type=crystal 
Hf       2.90012854       3.01689413      -4.13731691      -1.10601126       0.04208644       0.68266565 
Hf       2.79009241       2.20086006      -9.37246158       0.43753381      -1.59254142      -0.48553548 
Hf       7.98864263       2.98634544      -4.15530536       1.21594309      -0.07473403       0.69966951 
Hf       8.01329672       2.15434339      -9.48577938       0.56538456      -0.17969837       0.47063558 
Hf       2.84896808       8.19313888      -4.15137709      -0.73711059      -0.90503552       0.13101795 
Hf       2.79654634       7.27972571      -9.38961145      -0.41029270       0.18129151      -0.66215181 
Hf       8.04571797       8.12133576      -4.12601293      -0.45129451       0.61008062      -0.13450507 
Hf       7.96408735       7.25388025      -9.43968370       1.14447656      -0.36335079       0.56559943 
Hf       0.20723069       0.69306866      -3.70345132       0.84825983       0.46136171       0.21915744 
Hf       0.17544990      -0.08551612      -8.98318431       0.02476954      -0.47987231      -0.26604124 
Hf       5.48595991       0.72222200      -3.69578716      -1.20798661       0.51094716      -0.39955886 
Hf       5.38547911      -0.06269136      -9.00990253       0.15447873      -0.49048730       0.99676589 
Hf       0.22655197       5.88294267      -3.69652986       1.02498564       0.36600307       0.34628622 
Hf       0.24568008       5.00195354      -9.07255542       0.03032630       0.25476663       1.10777573 
Hf       5.38895331       5.93880312      -3.67529915      -0.16432300       0.25539298      -0.46881588 
Hf       5.41921109       4.99505829      -8.99088922       0.48418602       0.50792968       0.49663869 
Hf       2.35476056       1.30787956      -1.10472465       0.18869392      -0.89527544       0.62232603 
Hf       2.37964646       0.38360328      -6.40304053      -1.03352933      -1.29916128       1.35168776 
Hf       7.53672464       1.25303596      -1.10643772       1.19936621      -0.44565787      -0.42967659 
Hf       7.53242597       0.38414081      -6.30556286       0.73133751      -0.73556327      -0.37838306 
Hf       2.43410262       6.45051637      -1.10724091      -0.29700271      -0.90918552      -0.44764412 
Hf       2.37931875       5.41915253      -6.36822573      -0.38146585       0.97369315       0.59354307 
Hf       7.52833396       6.36067631      -1.13526340       0.87202824       0.05527180       0.45533352 
Hf       7.66398175       5.48023489      -6.28566751      -1.16911438      -0.38555026      -1.26078297 
Hf       4.87525234       3.50030133      -1.42751463       0.08463795       0.75614466      -0.16446853 
Hf       5.02222411       2.56343478      -6.77034500       0.04601774       0.20291419      -0.70486050 
Hf      10.19662697       3.43882340      -1.55472733       0.28873319       0.51620309      -0.15374012 
Hf      10.17814814       2.48726096      -6.78909968       0.41303256       0.65135558      -0.06773300 
Hf       5.03301567       8.63553937      -1.52336596      -0.88530736      -0.30868404       0.40152595 
Hf       4.97460164       7.77820209      -6.79542240      -0.11920127      -0.74331142       0.64939599 
Hf      10.08192247       8.57070260      -1.49114933       1.81890751       0.17089316       0.04088381 
Hf      10.12206018       7.74325235      -6.75434957       0.68116614      -0.32634924      -0.82381025 
O       1.43107299       2.29520868      -2.73943409      -0.34167462       0.32399708      -0.10745184 
O       1.33006364       1.42036316      -8.03996150      -0.45543757       0.24253213       1.19725100 
O       6.53313270       2.28610026      -2.82759438       0.66409944       0.55671045       1.01592053 
O       6.51047926       1.50260660      -8.08040271      -0.45493017      -0.14412786       0.47483321 
O       1.41605839       7.45984896      -2.68025416      -0.31565924       0.13111719      -0.73386328 
O       1.32964709       6.57209426      -8.04027032       0.58317130       0.14487260      -0.01714722 
O       6.63528675       7.51280821      -2.70584125      -1.07554813      -0.23391114      -0.62831640 
O       6.61994018       6.59879492      -8.01372862      -0.91645412       0.11149745       0.42498506 
O       3.94353464       1.44787627      -4.98229783      -0.30474381      -0.53942421      -1.10904610 
O       3.86216876       0.59084351     -10.32121999       0.85910145       0.17882965      -0.08502549 
O       9.16540286       1.32033325      -5.08343432      -0.79907976       0.28002379      -0.67570259 
O       9.17264864       2.36991855      -0.01744956      -0.83161365      -0.41862795       1.02836531 
O       3.81733069       6.58249174      -5.09656667       1.11046849      -0.26729009       0.25562428 
O       3.96191913       5.66308449     -10.39779351      -0.51047812       0.55694760       0.55795941 
O       9.06680333       6.55958752      -5.08183382       0.44741839      -0.12230023      -0.12809191 
O       9.11692258       5.68622358     -10.42566805      -0.03548703      -0.42631960       0.69261217 
O       3.98500896       1.94513263      -2.41210198      -0.91475934      -0.39665050       0.04082756 
O       3.82635612       0.95486980      -7.68079991       1.08597727       0.59991271      -0.39771878 
O       9.08942477       1.83721539      -2.56482091      -0.68560426       0.16123127       0.60081718 
O       8.94299725       0.95382865      -7.74122689       1.09237226       0.60288660      -0.53878452 
O       3.95183961       7.06692899      -2.44853628       0.08580787      -0.44973593      -0.33273270 
O       3.95102220       6.11936833      -7.67664808      -0.54614650      -0.21551114      -0.67345562 
O       9.05713017       7.00104013      -2.46248442       0.26896790      -0.42360112      -0.57571836 
O       9.10847600       6.10283174      -7.75209762       0.08286610      -0.08233960       0.13227070 
O       1.26199245       2.92049068      -0.05890723      -0.23639372      -0.59137165      -1.10365401 
O       1.27742443       1.95038976      -5.35153284       0.08674108      -0.73934950      -0.54299989 
O       6.44405847       2.79853338      -0.11651313      -0.22537620      -0.22959598      -0.37706393 
O       6.38276715       1.85248755      -5.34415376       0.95319595       0.72695483      -0.45071935 
O       1.25332798       7.93785488      -0.12545595       0.23331738       0.06812101       0.15355488 
O       1.24320960       7.01788410      -5.37950262      -0.68581303      -0.28651357      -0.24218026 
O       6.47957270       7.90977825      -0.15513890      -0.26136943       0.31372467       0.59814018 
O       6.39049161       6.97715102      -5.34071136       0.18037287       0.61696077      -0.37107144 
O       3.51253523       3.70243005      -6.07159618       0.03800691       0.47701525       0.34756689 
O       8.64929395       4.68510331      -0.88229023       0.28460920      -0.67889140       0.22692775 
O       8.73621687       3.63271152      -5.94400556      -0.28827137       1.13756135      -1.31221418 
O       3.57429795       9.85978559      -0.80591549      -0.63469736       0.12856646       0.58173187 
O       3.44246973       8.89926897      -6.05397147       0.45453159       0.38928405      -0.10440237 
O       8.67451826       9.78511037      -0.82322696      -0.89551769       0.98871440       0.28717502 
O       8.65034513       8.91217599      -6.00366243       0.26908726      -0.20702195      -0.10322666 
O       0.88374581       0.04571807      -1.81428667       0.11650507      -0.29541224       0.40087736 
O       0.87724087      -0.91853103      -7.14956450       0.39641749       0.82796173       0.40899255 
O       6.20552794      -0.04062516      -1.92923342       0.28962316       0.19683056       1.06988911 
O       6.05105730      -0.75018012      -6.99321310      -0.90778973      -0.93528717      -1.25438971 
O       0.92476067       5.14507149      -1.80452700       0.17763876       0.33036532      -0.00884337 
O       0.94043080       4.24532149      -7.17993744      -0.29756607      -0.67894691       0.39402800 
O       6.04585571       5.19021870      -1.80795723      -0.28748587      -0.45135329      -0.09744623 
O       6.22304380       4.24108722      -7.19092147      -0.47850133      -0.53387484       0.96464363 
O       1.57937222      -0.59122901      -4.50928186      -0.01449677       1.47763138      -0.30641853 
O       1.68816058      -1.18242950      -9.68608665       0.73086121      -1.47144911      -0.52267719 
O       6.85682561      -0.46665451      -4.49982241       0.65865111      -0.59243044       0.39768978 
O       6.87705261      -1.34842744      -9.66269029      -0.86195823       1.04149145      -0.74840756 
O       1.69160164       4.68438042      -4.39849670       0.59522320      -0.06225129      -1.11897562 
O       1.80071065       3.78811741      -9.79737342      -1.05568729       1.86476336       0.11290305 
O       6.89385371       4.72629080      -4.49993235      -0.07970560      -0.79063387       0.91820567 
O       6.90520459       3.79854069      -9.70829812       0.04321785       0.30320831      -0.46483343 
O       4.20948733       4.30937207      -3.26388781       0.19754552      -0.04096562      -0.40857802 
O       4.31910827       3.29337488      -8.69450129       0.39182615       0.23948192       0.37991712 
O       9.60542209       4.15203661      -3.44407952      -1.16954488      -0.24103621      -0.18227189 
O       9.62009485       3.24903414      -8.75104148      -0.82310872      -0.44413746       0.08609175 
O       4.31474185       9.33825166      -3.35682449      -0.06779505       0.36537315      -0.61768507 
O       4.20017451       8.45556821      -8.65799926       1.41100546       1.01519724       0.40349666 
O       9.53462792       9.26711751      -3.32034977      -0.79908676       0.29302568      -1.32317078 
O       9.42304259       8.48759649      -8.71501649       0.24500384      -0.16689699       0.48718270 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0005572071757945353 -0.0013197031291994747 -0.000998364430758769 -0.0013197031291994747 -0.004080833514307139 0.003698885368231682 -0.000998364430758769 0.003698885368231682 -0.007478786242690879" pbc="T T T" energy=-962.00396114 free_energy=-962.00396114 config_type=crystal 
Hf       2.80178731       3.05026940      -4.06116551      -0.18064167       0.11607682      -1.73839623 
Hf       2.88904625       2.10526376      -9.34301364      -0.35071846       0.24072580       0.28777990 
Hf       7.96851403       2.92891228      -4.12851710       0.59481835       0.44077161      -0.38101044 
Hf       8.06430257       2.08078358      -9.44385768      -1.47847480       0.34708639      -0.54682123 
Hf       2.76569381       8.19601430      -4.23925522       0.70284291      -1.58758477       1.62723345 
Hf       2.81577753       7.27348194      -9.37651985      -0.25194531      -0.04180286      -0.69976437 
Hf       8.06493337       8.20564537      -4.13270369      -0.96231047      -0.06532853       1.27109837 
Hf       7.93470505       7.21107418      -9.39772525       1.51244306       0.19859560      -0.38299089 
Hf       0.21465851       0.81072984      -3.71112463       0.39391064      -0.58377929      -0.43844117 
Hf       0.17232065      -0.06071978      -9.00562690       0.96544945      -0.24883296       0.57068398 
Hf       5.37890444       0.83848962      -3.72211779       0.43655996      -1.79096398       0.09413049 
Hf       5.45240248      -0.12922393      -9.00327424      -0.25340971       0.97337867       0.48555662 
Hf       0.21328740       5.89520863      -3.71937777      -0.00466311       1.04650490       0.22428014 
Hf       0.23395651       5.00323473      -8.98461775       0.54433080       0.00297722      -0.10193106 
Hf       5.41188656       5.93890398      -3.80103662       0.02233250       1.27582955       1.74648790 
Hf       5.41036012       5.09558470      -8.95438268      -0.28220367      -1.40155775      -0.81903479 
Hf       2.37988678       1.24654192      -1.03154282      -0.15107366      -0.45713668       0.30672395 
Hf       2.38502676       0.30582678      -6.33120340       0.57956758       1.20788604      -0.53607283 
Hf       7.60895641       1.20998772      -1.11628117      -1.07494915      -0.31680289       0.31695493 
Hf       7.56974178       0.34981044      -6.37494579      -0.46345719      -0.48407386       0.88883532 
Hf       2.41295805       6.31968444      -1.03873498       0.05650169       0.48859667      -0.75224925 
Hf       2.36372738       5.45831265      -6.39190959      -0.00882336       0.09487266       0.64696960 
Hf       7.55551050       6.30628940      -1.08161759       0.24729461       0.65707649      -0.63046422 
Hf       7.55985198       5.42526967      -6.26604128       1.22855822       0.76110911      -0.71582309 
Hf       4.89435407       3.53098218      -1.60254720       1.31312787       0.00797081       3.13633807 
Hf       5.01716237       2.66655727      -6.75323042      -1.25030770      -1.63832306      -0.09405279 
Hf      10.22738723       3.40104873      -1.57963125      -0.76252503       1.12126241       0.45470240 
Hf      10.14500705       2.57225507      -6.79288041       1.15749410      -0.65689704       0.49724069 
Hf       4.92032513       8.59859001      -1.51807965       0.60412257      -0.07121173      -1.34494858 
Hf       5.00844834       7.68456476      -6.79681309      -0.38933775       0.89709648       0.33617046 
Hf      10.18848825       8.63860400      -1.51212299       0.69841967      -0.97112965      -0.19105007 
Hf      10.12351358       7.77152325      -6.81277241      -0.04035840      -0.14195257       0.58743831 
O       1.33821067       2.30723695      -2.73275583      -0.00744584       0.58848479       0.36652800 
O       1.37780445       1.39670545      -8.01661691      -0.26036725       0.44561109       0.35934513 
O       6.43042505       2.46671622      -2.79156089       0.68398018      -0.52040401      -0.15055461 
O       6.55052719       1.48336023      -8.03196394       0.53506663       0.13588734      -0.00296470 
O       1.38109858       7.46544018      -2.79180156      -0.61769699      -0.01278726       0.17346124 
O       1.45096937       6.49351807      -8.02795303      -1.34128145       0.48960012       0.20761168 
O       6.62803931       7.47980967      -2.73498846      -0.97689423      -0.36367779      -0.32134801 
O       6.46705156       6.63027789      -8.00001433       0.56486889       0.07353767       0.04261801 
O       3.96620398       1.47243152      -5.11590948      -0.99307176       0.59604227       0.59362168 
O       3.95756653       0.63505852     -10.30612257       0.10921125      -0.42226970      -0.92462060 
O       9.14663467       1.39546774      -5.12545850      -0.39856025       0.30910647       0.02018133 
O       9.15662691       2.30941544      -0.00254545       0.01308876      -0.13307972       1.15916924 
O       3.93605872       6.59170253      -5.14883417       0.44317465      -0.22091643      -0.33320795 
O       3.97103318       5.76634114     -10.37018023      -0.35651168      -0.72970175       0.14211126 
O       9.12674504       6.66971387      -5.08984745       0.52003696      -1.15653555      -0.37437403 
O       9.19620219       5.68605997     -10.34785609      -0.72728375      -0.24894607      -0.14439614 
O       3.88419328       1.89797187      -2.38391589      -0.76923403      -0.21887197      -1.14554162 
O       3.88280794       1.06792593      -7.72931481       0.19005182      -0.54606629       0.62615774 
O       9.00042815       1.88995817      -2.51047913       0.45213234      -0.24299545      -0.52550749 
O       9.11454944       0.95340196      -7.70444596      -0.69535636      -0.07349641      -0.82158075 
O       3.86331627       6.95158611      -2.48976662       0.44372122       0.34447391       0.30304832 
O       3.90076933       6.07931320      -7.77399249       0.09966950       0.68254010       0.36469059 
O       9.12715442       7.10204050      -2.48895272      -0.15290154      -0.70100954       0.18167787 
O       9.03867316       6.06509481      -7.76875218       0.02071965       0.53955072       0.31671317 
O       1.22645110       2.84091900      -0.07749558       0.40690069      -0.23912226      -0.59582035 
O       1.26519921       2.02954429      -5.34075714       0.24058865      -0.82912242      -0.04822919 
O       6.53332419       2.74068581      -0.16663378      -0.47559356       0.25677358       0.16582635 
O       6.42698898       1.84401911      -5.35259056       0.83181666       0.88432647      -0.33483912 
O       1.29779471       8.01756009      -0.11295101      -0.02973739      -1.04008658       0.00416998 
O       1.28037018       7.09146364      -5.46819150      -0.35279553      -0.17815179      -0.08367835 
O       6.43265647       7.90323419      -0.12232804       0.52102346       0.71214362       0.19792356 
O       6.52678693       7.08998724      -5.42006302      -0.81181488      -0.62098677       0.26496639 
O       3.59330471       3.89664286      -5.94140320       0.10851106      -0.79660170       0.25566446 
O       8.66053334       4.59918008      -0.85622694       0.39430241       0.18931468       0.01156499 
O       8.75970517       3.76992033      -6.00893225      -0.87946887       0.16400349       0.05342824 
O       3.47838129       9.78150543      -0.77049008      -0.15845025       0.99154686      -0.20555183 
O       3.55743564       8.91330876      -5.99059319      -0.25260993       0.62548019      -1.33703423 
O       8.73713153       9.76033070      -0.77881432      -1.14001054       0.92383713       0.58294000 
O       8.62855804       8.89848866      -5.92912896       1.10556142       0.65777715      -2.15088661 
O       0.96394393       0.01589900      -1.81501604      -0.20207990       0.50130250      -0.39526050 
O       0.90449835      -0.81471883      -7.07841852      -0.65676018      -1.14887453       0.10491321 
O       6.07135141       0.09013769      -1.84452447      -0.11671256      -0.57683067       0.28657062 
O       6.08533873      -0.79695154      -7.10518314      -0.31811499      -1.08842964      -0.01121114 
O       1.01492568       5.09535338      -1.85293270      -0.59011566      -0.20238646      -0.01441955 
O       0.89673825       4.19851505      -7.10662928       0.40412593       0.73709943      -0.00083594 
O       5.99255495       5.23212014      -1.78327319       0.16801241      -0.21587662      -0.55044413 
O       6.14922075       4.26418914      -7.08648129       0.56320571       0.72577547      -0.03886400 
O       1.71923266      -0.41489769      -4.46044322      -0.88426939       1.08877114      -0.16287242 
O       1.62906401      -1.29936673      -9.69267923       0.53715756      -0.33182718      -0.10406462 
O       6.83568240      -0.42811695      -4.46296200       0.11439534       0.37085816       0.01316860 
O       6.90194162      -1.33630168      -9.67240586       0.37066685      -0.48426905      -0.50099330 
O       1.69439518       4.78949166      -4.48162122       0.39525750      -0.92977841       0.08903260 
O       1.80367032       3.79071666      -9.66382824      -0.54501165       0.98949849      -0.59124682 
O       6.89305834       4.68340601      -4.45362204      -0.43595627       0.11979201       0.10417181 
O       6.85186321       3.81374418      -9.75597182       0.78505739      -0.54077259       0.64308946 
O       4.23336070       4.29260089      -3.29164232      -0.51671919       0.09349750      -1.45524631 
O       4.32116981       3.35972916      -8.57538843      -0.10042089       0.42734608      -0.67391400 
O       9.45688919       4.18115082      -3.45633392       0.55085900       0.22202546       0.42956168 
O       9.58683500       3.19757382      -8.74786158      -0.13273010       0.62573549       0.05154178 
O       4.29823531       9.28278679      -3.48084911       0.41839561       0.75417711       1.00701736 
O       4.22564341       8.51888331      -8.67650591       0.66874743      -0.08187490       0.60116736 
O       9.46049213       9.47289610      -3.38200574       0.30970304      -0.21363104       0.20524543 
O       9.42884183       8.52183592      -8.62321481      -0.29204302      -0.68861457      -0.04722413 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002815365204709895 -0.0005029043237428322 0.001204690497253822 -0.0005029043237428322 -0.0045568749195419546 -0.0005448633119887303 0.001204690497253822 -0.0005448633119887303 -0.007449610720221539" pbc="T T T" energy=-961.48006751 free_energy=-961.48006751 config_type=crystal 
Hf       2.76754921       2.96919963      -4.25421299       0.78555612       1.42242885       2.10412774 
Hf       2.79205701       2.09129660      -9.46585147       0.66314997       0.47170921       0.85598716 
Hf       8.11916988       3.08482697      -4.09926899      -1.23552544      -0.21477224      -1.38298324 
Hf       8.10741866       2.14603488      -9.43271971      -0.75773147      -0.75332740      -0.00614776 
Hf       2.76603243       8.26442233      -4.19144281       0.61013203      -1.81099139       0.91696343 
Hf       2.77441086       7.29083711      -9.31727334       0.58302409       0.09443346      -0.72935796 
Hf       8.03211801       8.14297568      -4.20520561      -0.38042049      -0.53716283       0.25972461 
Hf       7.95548751       7.23263266      -9.43878685       0.48915864       0.75490587      -0.59862370 
Hf       0.20976769       0.72378812      -3.69779140       0.25188478       0.89323110       0.56635652 
Hf       0.17785536      -0.11950563      -8.90165032      -0.49678289      -0.52569715      -1.18257017 
Hf       5.48211591       0.75872539      -3.70977793      -0.98974679       0.67527410      -0.30134238 
Hf       5.40699720      -0.02906205      -8.93385782       1.39180621      -0.90438903      -0.26474849 
Hf       0.21910940       5.99387117      -3.68913451       1.36788826      -0.34717098      -0.71874140 
Hf       0.25237216       4.98245337      -8.93171045       0.17384109       1.65687408      -0.53654568 
Hf       5.44562468       5.91845743      -3.73997131      -1.47312610       0.20648360      -0.00173173 
Hf       5.45770049       4.98359155      -8.99875427      -1.04140977      -0.64405867       0.65716531 
Hf       2.37862239       1.23791718      -1.05268417      -0.49835326      -0.43642399      -0.47673616 
Hf       2.31578365       0.39768766      -6.32510991       0.88377003      -1.31205968      -0.74172539 
Hf       7.55833604       1.23916435      -1.16338050       0.85682331      -0.28264175       1.10630549 
Hf       7.59456721       0.29724594      -6.29252376      -0.56815147       1.00406264      -1.01475411 
Hf       2.44211883       6.41004733      -1.02212516      -1.02804511      -0.10214504      -0.55325233 
Hf       2.45412752       5.53147069      -6.28441752      -0.94579789      -0.42299711       0.00469524 
Hf       7.54070693       6.36596958      -1.15137749       0.77943282      -0.19711323       0.61091536 
Hf       7.54420565       5.44557702      -6.42194053      -0.86253301       0.05617380       1.03222089 
Hf       4.87667166       3.45659275      -1.48636862       0.15792706       0.30872283      -0.78932531 
Hf       4.94533935       2.48608937      -6.73447753       0.74951380       0.23848306      -0.98371875 
Hf      10.21890615       3.46363439      -1.54995638       0.77293871       0.01986037       0.16769747 
Hf      10.21561284       2.55724595      -6.75245526      -0.67807111       1.27404807      -0.30308779 
Hf       4.89655037       8.63187017      -1.52573542       0.27760207      -0.20970318       0.23661767 
Hf       4.90612887       7.71475518      -6.80718085       1.14837783       0.63733007       0.39792585 
Hf      10.16850615       8.59270384      -1.58768226       0.43115884       0.19085002       1.84972829 
Hf      10.16683103       7.68876641      -6.81930881      -0.22239442      -0.70342615       0.32695920 
O       1.37058683       2.31427759      -2.75326840      -0.17470093       0.12634316       0.22465679 
O       1.34155510       1.42695818      -8.02964583      -0.29897580       0.27835689       1.18263059 
O       6.62239146       2.28310193      -2.87977452       0.07988755       0.49887530       1.20081214 
O       6.51975800       1.48862924      -8.05196188       0.86088380       0.32662700       0.55076744 
O       1.37942408       7.54902008      -2.80418385      -0.79037398      -0.06409069       0.56964225 
O       1.35326548       6.71151692      -7.92216593      -0.40522849      -0.85332242      -0.22062714 
O       6.53675465       7.44244215      -2.77656626       0.35611243       0.61250837       0.25639243 
O       6.41920478       6.61585859      -8.00047604       0.62112005      -0.27640019      -0.40407190 
O       3.89868327       1.40070331      -5.07584471      -0.18881278      -0.34405288      -0.36204300 
O       3.98543143       0.56407500     -10.30698393      -1.30868671       0.30201466      -1.23299372 
O       9.15361601       1.49615261      -5.05976369      -0.08149382      -0.26703997      -1.05988120 
O       9.16343027       2.34271165      -0.04788151      -0.06529960       0.02275684       1.65584084 
O       3.93053327       6.61270494      -5.08000441       0.20539767      -0.17497509      -0.32222521 
O       3.90606329       5.72521112     -10.31553540       0.51915621      -0.40486126       0.26964731 
O       9.14397028       6.60520437      -5.17820315       0.20190308      -0.25194141       0.17180161 
O       9.15517112       5.76103148     -10.41445395      -0.29413034      -0.69324483      -0.04942026 
O       3.84492472       1.77073755      -2.45309206       0.76802763       1.03423520       0.24452965 
O       3.86679837       0.92652311      -7.68412744      -0.42497880      -0.12269895      -0.04683779 
O       9.17650635       1.89007395      -2.55640659      -0.82793979       0.08324667       0.31482852 
O       9.09314210       0.99507300      -7.79058289      -0.29755397       0.43171196       0.41583045 
O       3.84337511       6.95671994      -2.37588137       0.92325991       0.92806438      -0.65042793 
O       3.89101887       6.13787774      -7.73442020      -0.49675610      -0.13681909      -0.02883435 
O       9.07708515       7.04199068      -2.52983402      -0.60454409      -0.48958919      -0.07508605 
O       8.92501113       6.11021785      -7.80116391       0.99762355       0.18322119      -0.10186718 
O       1.25712366       2.89584138      -0.08903866       0.24053380      -0.78139857      -0.45439762 
O       1.27053670       1.97102889      -5.34211350      -0.48882790      -0.71318588      -0.73047181 
O       6.42003028       2.74964409      -0.07660681       0.33362549       1.04939660      -1.50672713 
O       6.39050481       1.84555372      -5.39821361       0.63037051      -0.04440171       0.04141102 
O       1.26471710       7.97574761      -0.06095684       0.26729556      -0.31784117      -0.13049629 
O       1.36335279       7.09836707      -5.38916242      -1.32279582      -0.22957541       0.29612151 
O       6.46576390       7.91593179      -0.15641587      -0.41433900      -0.21126205      -0.16644500 
O       6.47300572       7.01439669      -5.35970440      -0.09339021       0.84249077      -0.81259489 
O       3.45891798       3.67610199      -6.09828940      -0.40543289       0.83763270       0.15055920 
O       8.85211168       4.71552753      -0.75034335      -1.34888083       0.80801514      -0.06541424 
O       8.73499663       3.80615943      -6.05423125      -0.06069254      -0.45809789       0.45698750 
O       3.46374386       9.79366494      -0.65557777       0.32473866       0.49614976      -1.17720729 
O       3.33138418       8.83543567      -6.05046238       0.98480041       0.96509019      -1.36141048 
O       8.77281232       9.88288046      -0.82401482      -0.36170542      -0.35633806      -0.30162641 
O       8.74730654       8.94297897      -6.02134017      -0.44468694       0.04447299       0.10054107 
O       1.00240277      -0.07083146      -1.89426374       0.14771581       0.74127593       0.22551455 
O       0.79150410      -0.88507490      -6.97940640       0.57453187       1.29226013      -0.90043128 
O       6.12151046      -0.01035671      -1.85477325      -0.36055703      -0.30825033      -0.02526529 
O       6.11528636      -0.81203287      -7.07531685      -0.40810298      -0.95346014       0.38592874 
O       0.97292925       5.24617189      -1.87640886      -0.03521473      -0.52063503       0.27002289 
O       0.90493287       4.34580571      -7.02539056      -0.18985633      -0.46896656      -0.80142688 
O       6.00642870       5.16190293      -1.87610077       0.92876578      -0.46900319       1.51076053 
O       6.02929555       4.22696431      -7.03087050       0.28391566       0.53152872      -0.88022491 
O       1.65288699      -0.43036720      -4.51723931      -0.26767735       0.98076308       0.03301408 
O       1.64043100      -1.26407503      -9.68567104       0.45366010      -0.27981848       0.21377853 
O       6.94085535      -0.40370054      -4.44173485       0.43821877      -0.80558797      -0.03500801 
O       6.95367916      -1.28435798      -9.79062008      -0.67499075      -0.23886872       0.65387589 
O       1.60930552       4.68880696      -4.55040814       0.29143320      -0.03105838       0.61049130 
O       1.71327299       3.79953246      -9.72698790       0.14464280      -0.02060584       0.31273593 
O       6.77412385       4.72483424      -4.51379386       2.04115132      -1.50387155       0.02822249 
O       7.01920192       3.83691052      -9.64689994      -0.53498279       0.50639350      -0.78465568 
O       4.26288213       4.22722109      -3.42916092      -0.61425775      -1.03292592       0.56246069 
O       4.34093059       3.18944463      -8.72822570       0.21292023       0.93648628      -0.23102450 
O       9.48609651       4.27757675      -3.33392839      -0.11327250       0.54040411      -0.42233486 
O       9.51342829       3.41487618      -8.63848382      -0.34997859      -1.52911157       0.32507043 
O       4.29018096       9.38969787      -3.41670240      -0.11083754      -0.68491609       0.38375829 
O       4.34407511       8.50591837      -8.70111004      -0.62867347      -0.63178363       0.74715871 
O       9.54357344       9.30741316      -3.43297190      -0.50432969       0.22883614      -0.42636344 
O       9.42274283       8.43067001      -8.70746436       0.85685595       0.55725612       0.84931708 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0050638542684194945 0.0026352003488178725 -0.0013252333621868815 0.0026352003488178725 -0.0022772691678512856 0.0013900712387676353 -0.0013252333621868815 0.0013900712387676353 -0.0035556877475564777" pbc="T T T" energy=-961.95704166 free_energy=-961.95704166 config_type=crystal 
Hf       2.77738269       3.02149175      -4.09814301       0.49637320       0.02021094      -1.04268640 
Hf       2.86628808       2.05610786      -9.38627899      -1.13665581       1.41480045      -0.48879846 
Hf       8.06560281       3.09940637      -4.15092640      -0.93890169      -1.69769648       0.44148527 
Hf       7.98868710       2.12240786      -9.35353911       1.08687680       0.70308058      -1.60657774 
Hf       2.87388037       8.16427548      -4.16153997      -0.00042886      -0.43206611      -0.01807827 
Hf       2.82350219       7.34604576      -9.40775615       0.09655586      -1.08157806       0.70457647 
Hf       7.96783907       8.11413522      -4.12166715       0.33508250       0.71882502      -0.72288151 
Hf       8.00014780       7.26670999      -9.44144192       0.54973314      -0.30403620       1.33093695 
Hf       0.20280225       0.77036986      -3.75814436       0.47897247      -0.26094706       0.15072387 
Hf       0.18802693      -0.02518328      -9.00096411       0.90110407      -1.49208995      -0.53385244 
Hf       5.41642837       0.75686248      -3.78971489       0.66504126       0.40750363       1.21057186 
Hf       5.43138301      -0.07556954      -8.95655389      -0.36780164      -0.49988586       0.94727794 
Hf       0.30772189       6.02178496      -3.67237358      -0.58223353      -0.97715549      -1.04642279 
Hf       0.18753568       5.03187481      -8.99272452       1.51814869      -0.35559016       0.80516176 
Hf       5.33096861       5.88401855      -3.70462361       0.24029475       0.71872565       0.13143362 
Hf       5.47067547       5.01239948      -9.03958894      -1.57905169      -0.24815505       1.05870076 
Hf       2.42208821       1.25965314      -1.11181097      -0.52891886       0.04507220      -0.25919274 
Hf       2.37845147       0.22623795      -6.31612067       0.22056104       1.03747680      -0.64078342 
Hf       7.52787564       1.18633959      -1.03878875       0.09955661       0.43216348      -1.57216780 
Hf       7.61412850       0.34910779      -6.33420436      -0.48676337      -0.85636670       0.37154875 
Hf       2.35090004       6.40454485      -1.14690435       0.45376996      -1.37704631       2.45160333 
Hf       2.33573187       5.49486625      -6.37747559       0.89371068      -0.25218878       0.24430563 
Hf       7.56214336       6.36926159      -1.12756500       0.31797779       0.11502818      -0.28920630 
Hf       7.56715615       5.45520372      -6.31373505      -0.43827380       0.25817708      -0.19488608 
Hf       4.97518984       3.50166907      -1.45792537      -0.74927066      -0.24842668      -0.52757637 
Hf       4.97454013       2.59133513      -6.78729032      -0.68208180      -0.04916626       0.66047171 
Hf      10.11588097       3.45801213      -1.58424594       0.34504085       0.00470652       0.58434088 
Hf      10.19974541       2.50515191      -6.79969949       0.28712085       0.92446390       0.09819002 
Hf       4.93420106       8.59188411      -1.46384140       0.65873153       0.09785684      -1.10382328 
Hf       4.98644564       7.67854731      -6.78819820      -0.13598812       0.07816497      -0.35879628 
Hf      10.19567449       8.64741086      -1.55282504       0.01185839       0.05909188       0.34809022 
Hf      10.16861691       7.69691082      -6.79511504      -0.35064147       0.36851201       0.79410270 
O       1.27861433       2.35747221      -2.76985912       0.60372099       0.16038687      -0.38430087 
O       1.30195986       1.46138960      -7.97720905       0.29171869      -0.21491990      -0.53995508 
O       6.59586660       2.28864334      -2.72436050      -0.30893840       0.34440421      -0.24000896 
O       6.64735072       1.54318952      -7.98022902      -1.03777891      -0.58433942       0.19364047 
O       1.44368421       7.49624471      -2.72489309      -0.87838871       0.64578353      -0.09931916 
O       1.40395069       6.63668844      -7.90313226      -1.39793869       0.11578443      -1.26489906 
O       6.49648467       7.45820243      -2.74373282       0.23630277       0.04421019      -0.33003841 
O       6.41605111       6.55099587      -7.99404538       1.22993638       0.49735252      -0.64987537 
O       3.92079953       1.38716598      -5.06735320      -0.33064270       0.53427594      -0.35410358 
O       3.92237117       0.59233499     -10.42945036       0.60860887      -0.30238588       0.56274651 
O       9.11925011       1.34732396      -5.11248387       0.04992087       0.74569567      -0.68222326 
O       9.10275416       2.33605920      -0.00323639       0.00395540       0.10615754       1.23153975 
O       3.96140211       6.56741797      -5.12920038      -0.28160646       0.04846387      -0.02807103 
O       3.95942546       5.70610511     -10.33244459      -0.26702145       0.25574869      -0.64185201 
O       9.13108923       6.62803012      -5.08621445      -0.00456026      -0.85416318       0.20925014 
O       9.15318616       5.75084972     -10.29699850      -0.29487736      -0.35847039      -0.73249176 
O       3.94335634       1.87360308      -2.46535685      -0.72268584       0.26018657      -0.21988461 
O       3.90368942       1.02333987      -7.74494903      -0.05548852      -1.07922307       0.05742131 
O       9.04613059       1.86680648      -2.55105129       0.38294983       0.11958776       0.15749228 
O       9.13047911       0.88394392      -7.83868975      -0.79540688       1.11273388       0.64015635 
O       3.84451825       6.93344674      -2.45569789       0.57993527       0.94420029      -0.38862700 
O       3.80200823       6.18208845      -7.77211541       0.69924228      -0.08976666       0.12533992 
O       9.12960019       7.06422016      -2.43450046      -0.37969824      -0.21908804      -0.33040853 
O       8.99732748       6.15646541      -7.69061260       0.00164959      -0.04168132      -0.58806401 
O       1.22831501       2.77160893      -0.21243387      -0.09323588       0.24444136       0.66676813 
O       1.27974811       1.82755899      -5.43829025      -0.49226989       0.64270979       0.77513202 
O       6.44309102       2.80364776      -0.06221796       0.09451966       0.08545165       0.06881732 
O       6.42353171       1.88928565      -5.42318442       0.31383851      -0.01838774       0.60210242 
O       1.22950428       7.87822071      -0.09534405       0.41632200       0.66864938      -0.33852641 
O       1.27117550       7.03031622      -5.32337216      -0.23669943       0.74525961      -0.15202110 
O       6.49875537       7.90771340      -0.19506716      -0.40141106       0.88476695       0.82269017 
O       6.42343082       7.08211595      -5.38371503       0.70544516      -0.68808691       0.16766362 
O       3.46258389       3.74379937      -6.06345665       0.13043871      -0.20929641       0.43081739 
O       8.63771376       4.69865188      -0.78516644       0.59647155      -0.75194981      -0.41056261 
O       8.60651409       3.63847778      -6.04677993       0.12464417       0.79629742      -0.34697185 
O       3.59463217       9.91021498      -0.73388799      -0.33304569      -0.71768486      -0.18527243 
O       3.48190610       8.85983234      -6.03862665       0.50163443      -0.13908896      -0.21350544 
O       8.63225199       9.73894288      -0.84348396       0.16120995       0.51243161       0.17483513 
O       8.64424572       8.89117467      -5.96459805       0.67414923      -0.05752899      -1.10458910 
O       0.98093746      -0.00947435      -1.88881908      -0.19196918       0.03820982       0.21784917 
O       0.89011330      -0.92133956      -7.04053724       0.21006266       0.73792184      -0.43843007 
O       6.08190214      -0.03339869      -1.79497126       0.20209767       0.24774939      -0.05396790 
O       6.13131173      -0.86635483      -7.08735998      -0.45278620       0.25003878      -0.53286666 
O       0.91389700       5.17215800      -1.79641362      -0.17596186      -0.11314866      -0.62606306 
O       0.78956922       4.35380350      -6.99996403      -0.37836000      -0.94464306      -0.45472497 
O       5.98050200       5.24103239      -1.79076368       0.43233729      -0.58488822       0.50299225 
O       6.05924869       4.28462827      -7.06054726       0.33519639       0.17313813      -0.33947142 
O       1.78866248      -0.43256617      -4.45918588      -0.72232720       0.18707446       0.41808168 
O       1.75872679      -1.27151763      -9.72865077      -0.75730971       0.46340958       0.25923487 
O       6.85102928      -0.48208051      -4.53996825      -0.10194612       0.32749252       0.71182199 
O       6.91810123      -1.33349473      -9.61793859      -0.16822854       0.47232636      -0.77711821 
O       1.79005239       4.80031296      -4.50560015      -0.77742304      -0.75123223       1.48921711 
O       1.72302678       3.72809350      -9.70196164      -0.40828906       0.87235859      -0.15621274 
O       6.83661264       4.71749816      -4.41111284       0.46283988      -0.12735564      -0.18445166 
O       6.98903141       3.92885168      -9.73423719      -0.17035337      -1.13098523       0.78873396 
O       4.14928721       4.26596155      -3.25821077       0.42895858      -0.19042728      -0.27369675 
O       4.27680616       3.26314325      -8.67111680       1.17879721       1.08163637      -0.36990975 
O       9.54106855       4.26625519      -3.46636166       0.01389228       0.08457198       0.20638132 
O       9.45368056       3.39716020      -8.64336785      -0.26758710      -1.25807108       0.10348557 
O       4.32215273       9.34635718      -3.41685980      -0.17730350      -0.59799764       0.43446555 
O       4.26509588       8.52799118      -8.67927134       0.68500719       0.36404820       0.36120966 
O       9.54787180       9.34619430      -3.50029535      -0.20774350      -0.50297987       0.81589390 
O       9.55834460       8.49133773      -8.66075052      -0.79371900      -0.68609829      -0.66585575 
95
Lattice="0.0 10.284638 0.0 10.390295 0.0 0.0 0.0 -1.790094 -10.500585" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003174065726574357 -0.002625962197538016 -0.0008363037461693562 -0.002625962197538016 -0.0013843270593304115 -0.00016999566493736717 -0.0008363037461693562 -0.00016999566493736717 -0.001182610865370081" pbc="T T T" energy=-961.78637956 free_energy=-961.78637956 config_type=crystal 
Hf       2.88149251       3.00833869      -4.13063644      -1.52660839      -0.56137556      -0.58342861 
Hf       2.80059076       2.11473587      -9.41794738       0.77176923      -0.01518988       0.90325938 
Hf       8.09447942       2.98880975      -4.07247590      -0.54050899      -0.04065559      -1.91243420 
Hf       7.99892102       2.12887198      -9.47110103       0.79878173       0.00970251       0.04644904 
Hf       2.77852656       8.17667085      -4.14788921       0.53205253      -0.20988851      -0.10505880 
Hf       2.83819854       7.33559648      -9.31482996      -0.01958091       0.07204000      -0.56634303 
Hf       8.02893972       8.13844061      -4.16796119       0.56166996       0.16118050      -0.03248045 
Hf       7.96421535       7.22211658      -9.43421353       0.00160969       1.27872400      -0.19532533 
Hf       0.20777805       0.73564624      -3.67858184       0.52523748       0.93975316      -0.38884671 
Hf       0.16038688      -0.07606837      -8.92609872       0.21786521      -0.55573633      -0.53938734 
Hf       5.43869705       0.74654802      -3.74096897      -0.33203976       0.21076321       0.37349632 
Hf       5.45489635      -0.05344434      -9.05594686      -0.41944409      -0.27921812       1.45554753 
Hf       0.24694718       5.94361463      -3.68593792       0.54982139       0.27056129      -0.79234317 
Hf       0.23596931       5.10070278      -8.97825051      -0.23942677      -0.88237799      -0.04268708 
Hf       5.41310451       5.90125094      -3.77350514       0.07548223      -0.17356909       0.60350510 
Hf       5.40011165       5.04662254      -9.00120216      -0.37757041      -0.32766160      -0.19017157 
Hf       2.35905019       1.22530723      -1.07065172      -0.71012162       0.20718813      -0.21527486 
Hf       2.36682078       0.31281022      -6.33946085       0.56916895       0.58423216      -0.19103313 
Hf       7.54123548       1.26290526      -1.17220088      -0.43121367      -0.80511265       0.68748082 
Hf       7.64523174       0.28054038      -6.29737849      -1.17392052       0.90375202      -1.12516739 
Hf       2.41569714       6.36278061      -1.04615218       0.14923076       0.22284713      -0.31032293 
Hf       2.35887085       5.48921922      -6.27947909       0.41001590      -0.52632133      -0.12262847 
Hf       7.55878262       6.39708178      -1.16118798      -0.53875103      -0.76542655       0.29067973 
Hf       7.47796139       5.42816846      -6.36236409       2.79940167       0.19509782       0.78833207 
Hf       4.87119680       3.51166974      -1.53534755       0.70279683       0.31875144      -0.00428541 
Hf       5.12102189       2.62824827      -6.75009967      -2.46390598      -2.01157751      -0.11020192 
Hf      10.13378012       3.47552562      -1.54899212       1.78058723      -0.46243591       0.42626358 
Hf      10.22812172       2.58549059      -6.80059341      -0.63965195      -0.06123724       0.21509760 
Hf       4.89518020       8.58575428      -1.51179505       0.92909796       1.16695870      -0.09587726 
Hf       5.03291967       7.68919213      -6.80719271      -0.81197271       0.90724969       0.08578855 
Hf      10.13352847       8.55978105      -1.45584647      -0.12744692       1.29243914      -0.91851696 
Hf      10.13810124       7.68530842      -6.81795434       0.16054208       0.03348552       0.41383625 
O       1.27930258       2.38636628      -2.83452403       0.52503107      -0.47405111       1.49731505 
O       1.38976544       1.46775579      -7.94068823      -0.82545262      -0.11672165      -0.17033986 
O       6.52786045       2.30375433      -2.80739094       0.37261916       0.29887104       0.19345698 
O       6.62736634       1.48576464      -8.06803365      -1.14714515      -0.19903997       0.62019817 
O       1.35539933       7.52407237      -2.78476974      -0.06549338       0.09807756       0.55090696 
O       1.20898605       6.68207540      -7.94432416       1.84810535      -0.44843536      -0.97288580 
O       6.52694330       7.43385341      -2.88042062       0.20990895       0.40137317       1.14841178 
O       6.56510779       6.60548767      -7.98726631      -0.61556700      -0.19417171      -0.11762844 
O       3.99837503       1.47618171      -5.09717370      -0.27970732      -0.26063689      -0.09228856 
O       3.90460356       0.65295721     -10.45741268       0.72141067      -0.37309267       0.66263930 
O       9.12927747       1.34923087      -5.19187974       0.19615058       0.36696658       0.96712497 
O       9.12705904       2.26710505      -0.02795728       0.18407239       0.48735280       1.36997562 
O       3.85513848       6.58307786      -5.03015404       0.76834869      -0.05935775      -0.71559044 
O       3.96008555       5.76454990     -10.34540830      -0.71584505      -0.14588396       0.15691752 
O       9.18626336       6.60566214      -5.18622633      -0.64268422      -0.27066075       0.83868382 
O       9.08435410       5.70467685     -10.43533846       0.30398636      -0.70424585       0.57097749 
O       3.89012437       1.88435335      -2.46855764      -0.61122452       0.17668782      -0.18804232 
O       3.88643582       1.03316064      -7.69389697       0.17595347      -0.14866340      -0.45367179 
O       9.05904479       1.85548510      -2.51286507       0.15585012       0.28765627      -0.57370738 
O       9.02421081       0.95683664      -7.77743196       1.07459785       0.33973788      -0.49369253 
O       3.92115613       7.00428695      -2.38128413      -0.46877710      -0.39803609      -0.76569848 
O       3.89722073       6.13217477      -7.76940584      -0.91565532       0.03167049       0.51447384 
O       9.04274294       7.04012799      -2.51395986      -0.02211360      -0.29085989      -0.08542673 
O       9.03448151       6.19108629      -7.79917468      -0.30202431      -1.33067383      -0.03878944 
O       1.24225972       2.82937617      -0.05758132      -0.16530307      -0.14562229      -0.44666304 
O       1.20910055       1.91526554      -5.32568555       0.46051469      -0.27900601      -0.66102865 
O       6.54403461       2.88802445      -0.22530024      -1.25414030      -0.19676239       0.43328313 
O       6.52562290       1.94334902      -5.35633129       0.08671328      -0.36854031      -0.45573225 
O       1.23879601       8.01652773      -0.11824362       0.46572615      -0.81932746       0.88973676 
O       1.26918950       7.00739917      -5.37337532      -0.18228874       0.68738715       0.26287976 
O       6.43367576       7.95524158      -0.12486708      -0.01547928      -0.45110645      -0.60550336 
O       6.46434656       6.98306778      -5.38252238      -0.09064880       0.03167148      -0.13661264 
O       3.48824636       3.76664356      -6.00146035       0.52640665       0.08948105      -0.32024733 
O       8.64876217       4.60893479      -0.90385413      -0.64835736       1.20455718       0.33963302 
O       8.70434526       3.74655648      -6.00473475       0.16573285       0.13989112      -0.43907686 
O       3.46700662       9.86105573      -0.80846566       0.03358252      -0.53885928       0.61028218 
O       3.47260844       8.89699634      -6.19891829      -0.43181254      -0.39581095       1.25233123 
O       8.52871281       9.78897018      -0.77993547       1.34275427      -0.64255124      -0.90344149 
O       8.67852393       8.88633621      -6.02939422      -0.05632225       0.03223614       0.04154794 
O       0.85361250      -0.02281163      -1.73096904       0.31891367       1.06622733      -0.09857508 
O       0.86176411      -0.88953817      -7.08776971      -0.00132250       0.52715160       0.35304051 
O       6.03192243       0.01712076      -1.84064114       0.14929577      -0.07092591      -0.24865126 
O       6.03560360      -0.88757760      -7.08190933       1.19280106       1.02737401      -0.22954308 
O       0.93440089       5.26287707      -1.76013693      -0.73525725      -0.86805671      -0.37353877 
O       0.92398182       4.31523101      -7.14783631      -0.08595453      -0.28258137       0.17502879 
O       6.07227937       5.14198247      -1.89339492       0.24347137       0.38388243       0.48015981 
O       5.97413223       4.37610144      -7.01715159       0.19232569       0.12069218      -0.60753128 
O       1.75501621      -0.38828611      -4.34494939       0.16244957       0.07685319      -1.01344203 
O       1.75900743      -1.26658321      -9.59235801      -0.12548111       0.37779806      -0.47447397 
O       6.86970251      -0.44235359      -4.50521184       0.54943566      -0.69398648       0.45584829 
O       6.79820835      -1.30320153      -9.79712256       0.37486155      -0.01123949       0.43616971 
O       1.66767217       4.67936963      -4.43816193       0.13663513       0.39668705      -0.32681767 
O       1.76800616       3.78081607      -9.76045242      -0.57414402       1.27746182       0.62680852 
O       6.89191779       4.59304271      -4.46547426      -0.56492477       1.19537830       0.07907831 
O       6.93669061       3.86072738      -9.69600718       0.18417572       0.11539358      -0.23116283 
O       4.19146994       4.29581657      -3.37678904       0.50625128      -0.10198118       0.66634278 
O       4.39037146       3.29193189      -8.69848216      -0.15854932       0.14139118      -0.25814555 
O       9.61491695       4.24310528      -3.40046671      -1.33308603      -0.78689643      -0.19416841 
O       9.55396436       3.31757404      -8.72215237      -0.12203106      -0.01698971      -0.09980994 
O       4.30525801       9.31815118      -3.42317002      -0.21524675      -0.15711076      -0.19917111 
O       4.39374384       8.46085726      -8.67216108      -0.56632053      -0.04748968      -0.78041694 
O       9.55493689       9.35629689      -3.36540200      -1.35343583      -1.05065011      -0.45676264 
O       9.42438086       8.45208816      -8.71169116       0.48048965       0.78141529       0.12848584 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.015407466430058147 -0.010355311208895155 -0.001834703522594305 -0.010355311208895155 -0.0020877782365403496 -0.0072076054412989225 -0.001834703522594305 -0.0072076054412989225 -0.012045806248479243" pbc="T T T" energy=-930.64686827 free_energy=-930.64686827 config_type=crystal 
Hf      10.20019996      10.15219998      10.44880005       3.78895798       2.29303088       2.37530935 
Hf       5.41057996      10.25460002      10.16650005      -3.40203533      -2.13705672       2.59466207 
Hf      10.18019999       7.90017003       8.21953995      -0.99188495      -0.46239935      -7.46366953 
Hf       7.83869000       2.53038000       5.19474002       0.48042833       1.46468532       3.49995428 
Hf       9.94041003       5.08141001       0.01384050      -0.03358447       1.59044117      -0.18387787 
Hf      10.36130000       7.86991999       2.63894997      -0.19331023      -3.44081379      -0.09572543 
Hf       2.57769999       4.76603002       2.32816998      -0.39112414       0.44594374      -0.51222097 
Hf       7.44744000       5.20231001       2.57166999       1.92311159      -0.66550319      -0.96002487 
Hf       7.69926996       7.83552000       0.26671604      -1.74522836      -0.37536343      -0.06185325 
Hf       5.26909002       7.91943998       8.11292998       0.95160755       5.13715373      -3.40664728 
Hf       4.87859997       7.58613997       2.56893999       3.80298493       1.53367582       2.95525214 
Hf       5.34985999       5.39728003      10.12439997       0.64886401      -2.15509955       1.50237203 
Hf       2.53970999       7.52540001       5.02410003       0.97069403      -2.24010656      -1.01390754 
Hf       0.06502179       5.40360999       5.46641002      -1.27214611      -0.46968833       0.81179636 
Hf       5.07021003       5.22270005       5.02641997      -1.22452686       1.60596668       1.98833558 
Hf       2.43119004       4.83428001       7.93081004       2.45821164       0.08904243      -2.13651100 
Hf       2.25033002       7.28836999      10.29970003       1.66906517       1.40374019       1.74834071 
Hf       2.16262996      10.31779996       7.40734996       4.37265958      -0.79647151       4.74405913 
Hf       5.53447004       2.51927996       2.81887996      -0.98695662       0.51851974      -3.28441836 
Hf       0.07993581       2.72511997       7.67285003      -4.43543313      -1.53321568      -3.36972860 
Hf       0.00446017      10.43709999       5.16168995      -1.85057619      -0.43992899       0.30949849 
Hf       7.20283999       5.45697997       7.56566002       5.10074223       0.15298168      -0.37684654 
Hf       7.97690005       0.17491804       7.69451998      -3.11314668      -1.06331842      -3.38303083 
Hf       7.54763995       2.30441997      10.15690003      -0.08242233       3.58267352       1.73986339 
Hf       7.87413002       7.82751001       5.14322004      -2.12495155       2.66267200       1.73770956 
Hf       2.62100002       2.54141995       4.79119003       0.96488425       2.53847072       2.49472917 
Hf       5.07109997       2.47631998       7.86537002       0.89984530      -0.53467229      -0.46583065 
Hf       4.80138997       0.07459575       5.38872999       5.45542894      -5.41707050       2.11819908 
Hf       2.74578999       2.12983999       0.01757631       0.46026975      -1.23191598      -1.39175327 
Hf       2.33947002      10.21030005       2.55876998       4.37019421      -0.93284428      -1.30953737 
Hf      10.35320000       2.67950995       2.41228002      -0.09569359       1.98618969      -0.44614176 
Hf       7.99083998       0.19192300       2.82979003      -2.61868854      -2.86182520      -0.72488607 
O       3.89696000       3.47926997       9.13966002      -1.73494375       1.90441503       1.41487638 
O       9.16412005       9.66742998       8.99638998       1.06219183      -2.11263870      -0.37734099 
O       0.87618599       6.59808003       4.16472004      -0.13236473       1.69893312      -2.07250613 
O       8.98585000       9.32917003       4.04696995       0.96843110      -0.33903695       0.44472696 
O       3.78016998       6.06678998       0.67746896      -2.93726341      -1.69123940       0.43579885 
O       3.77327003       1.48231995       6.53695000      -1.38426051      -0.30076965      -1.94254763 
O       6.72778995       1.09351004       4.38143003       0.22103501       0.57949269      -3.58308582 
O       8.82455005       1.78185998       8.77108001       1.80065196       0.42582625      -1.48572184 
O       8.72480999       6.56663005       3.98980001       0.75263955      -0.33072608      -0.98499072 
O       9.44252997       3.83558003       6.12405003       0.36261519      -1.34283922       0.31020754 
O       1.45573005       3.27520000       8.76952003       1.15617027       0.58169297       0.44406515 
O       3.98435999       6.58628996       5.94927004      -0.01148350       0.59463169      -0.37904447 
O       6.05414000       6.71238004       1.16299001       2.06250671      -2.96657602      -1.34612109 
O       6.38324998       9.47701003       6.41304997       1.27908732      -0.53187826      -0.12702679 
O       9.34350004       4.07648997       3.38625999      -3.20910962      -0.26799102      -0.42455604 
O       6.63796997       1.29884998       6.73307005      -1.07586015       4.10723542      -2.42059728 
O       3.75135004       8.81240005       3.94151001      -0.16701103       2.86361609       2.41178434 
O       8.90942005       0.87963303       0.78577100       0.03406852       1.25147200       1.79964320 
O       1.18430998       9.17327996       3.87381996      -1.94669361      -0.03244769      -3.49916655 
O       9.24617998       1.35485995       3.91985000       1.07990980       0.52607677      -3.32196657 
O       1.18621995       0.97391403       1.61591995      -1.25362684      -0.28921863      -2.39567448 
O       9.00767998       6.57724005       6.77728001      -0.09502570       0.58568150      -1.46896297 
O       6.14700000       6.22441995       3.62299005       0.27537374       0.56662696       0.62238273 
O       9.42328001       7.20276003       9.67061997      -1.11323348      -1.24777088       3.78832238 
O       9.03390995       9.02275005       1.62373998      -0.60665981       0.27881779      -0.87694651 
O       4.32218004       4.23079996       6.68379999      -0.56114329      -1.93860756       0.21626910 
O       4.51521999       6.23769999       8.41197998      -2.63583966      -4.40373578       1.65771879 
O       6.18739995       3.72630997       1.09808000       0.10179789       3.68574866       1.34534858 
O       4.01036002       9.33225003       7.22484999      -0.51517675       1.14445146      -0.61378769 
O       6.85513001       6.56652005       9.16187002      -1.21015920      -0.83718008       1.73802756 
O       6.36154004       6.98490995       6.22631004       1.27884853      -2.90176502       1.32504751 
O       0.83477595       8.50905001       0.71892903       0.96652876       1.11010006       1.76396355 
O       0.84688398       3.66694997       0.83597203       1.69036739      -1.50731185       1.30296820 
O       9.11715005       4.97631000       8.58277999       0.24008864      -2.20673908       1.19974891 
O       3.93562005       0.94207899       9.17422998      -1.39421186       1.51521256      -1.87448951 
O       6.41718004       3.66098005       8.99015003       0.24377528       1.18043245       0.65859946 
O       8.60645004       6.35350995       1.38540001       0.28674388      -0.50759384      -0.27082982 
O       1.54275995       6.50740004       6.55586001      -1.94621824      -2.30597752       2.25228752 
O       1.10530995       3.88550998       3.64731004       4.07596621      -0.44959132      -0.66504525 
O       6.28529995       8.96294995       0.99780700       0.43063830       2.66390693       1.51867883 
O       3.57265003       8.37922004       1.66757996      -6.90516576       3.19582257      -3.42477217 
O       6.24871995       9.11312004       3.74631998       1.51527368      -0.78618711      -0.71585261 
O       0.62243004       6.06401005       1.50817000       2.44068745       1.86312314       0.97350538 
O       3.82583003       0.69386102       0.96722205      -0.71303781      -1.30505582       2.40380901 
O       1.32133001       5.57336003       9.49581004       1.90128780       2.45948154      -0.97506488 
O       4.20678003       3.93755996       3.74166995      -3.92231326      -1.69262464       0.28049130 
O       6.99523998       3.83974997       6.64606997      -1.31552632      -1.10929285      -3.06605072 
O       9.52812004       9.11235004       6.57772997       0.14803009       1.13927537      -0.59803418 
O       3.70480004       3.16275000       1.50113002      -1.90987236       1.05341426       0.66952605 
O       6.23997000       0.86454601       8.80005998       2.97349712       2.02411669       2.46453405 
O       1.52503000       8.31741996       8.61389004       1.89998008       1.23191461       1.10464542 
O       4.39813995       1.25867003       3.88774995      -3.79674290       0.88902626      -0.71674582 
O       6.87278000       8.91007000       9.00998997      -0.35261336       1.09706929      -0.03355145 
O       1.52596997       1.40383005       3.81976999      -0.41188228      -2.35665444       0.37586022 
O       3.40988001       6.26385000       3.53840997       0.38729611      -1.16997534      -1.91692327 
O       4.30155001       8.47265997       9.81161005      -0.65834851       0.22500137      -1.48948436 
O       1.14657001       0.80997095       9.22006000      -0.64230313      -1.22640014      -0.20578245 
O       1.92141995       9.02761003       6.01083997      -3.02487449       4.23687889       1.82085313 
O       6.46270999       3.86444999       3.97123998       2.87338724      -1.94372827       0.15146501 
O       6.66158004       1.54071999       1.26897002      -1.27343237      -3.54549062       2.65842504 
O       8.79503997       3.70097998       0.80945402      -0.85078545      -1.94935016       0.16191508 
O       1.43777999       3.92239004       6.18000003       1.62235365      -0.44878088       1.51379883 
O       9.11358997       1.24553003       6.15816001       0.54825417      -1.32538746       2.28281708 
O       1.20285996       1.27168998       6.40019999      -0.72854050       0.44317437      -0.27291125 
96
Lattice="10.46624748 0.0 0.0 0.0 10.46624748 0.0 0.0 0.0 10.46624748" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0210464838471821 0.008627770066384932 -0.00202989803856711 0.008627770066384932 -0.02145847738861226 0.011335168809873076 -0.00202989803856711 0.011335168809873076 -0.024741844079716083" pbc="T T T" energy=-920.64316814 free_energy=-920.64316814 config_type=crystal 
Hf      10.34719999      10.11650003      10.43039995      -0.82375356       1.35153402       0.79775320 
Hf       5.11026004       9.82077997      10.12760001       2.02102749       3.61720479       4.61039208 
Hf      10.04420003       7.59414004       7.57195997       0.97006878       0.38402124      -0.58842002 
Hf       7.97088005       2.39267000       5.43646995      -0.83637503       2.91449304      -0.11420813 
Hf      10.33710006       5.36529005       0.06725255      -0.59579157      -0.54592558      -1.85334176 
Hf      10.11059999       7.84156003       3.28591000       2.30741191      -2.14475826      -3.83953808 
Hf       2.44978002       4.87031996       2.54840001      -0.08224105       2.36274211      -0.81356903 
Hf       7.38465003       4.95825004       2.04153001       0.09013697       3.03991035       4.70809844 
Hf       8.04355997       7.61802004       0.00865255      -6.03712034       4.61439912       2.67189670 
Hf       4.86099003       8.08504996       7.62778996       1.38833477      -2.23695082      -1.35593160 
Hf       4.84487996       7.71259001       2.48364000       5.78827501      -0.24839769      -4.99264285 
Hf       5.20321005       5.32702000      10.29610000      -1.25016388       1.92997454       0.11454131 
Hf       2.94997999       7.29183001       5.07857997      -6.57811186       3.28459343       1.84243342 
Hf      10.33070005       5.05872005       5.15492004       0.40110975       1.68514090       0.38959247 
Hf       5.29655004       5.18174001       5.09045005       1.70295698      -2.77842098       0.00897929 
Hf       2.68348002       4.95757999       8.36712003      -1.43514553      -2.85641134      -1.46344390 
Hf       2.19097002       8.06077004       0.04489706       3.75672598      -1.48853287       2.44025937 
Hf       1.92684003       0.10170105       7.77513003       6.98404477      -7.12910014      -0.69127928 
Hf       5.40581002       2.35112998       2.43465001      -2.77834507      -0.47791378      -0.52749334 
Hf      10.42490005       2.43133001       7.79311000       1.29454632       4.82020011       4.45326992 
Hf       0.19387802       0.17278404       4.88007000       4.49535031      -0.85924450       2.64761123 
Hf       7.65823000       5.16483995       7.73087999      -0.21988579       1.48116697      -0.69623754 
Hf       8.17315996      10.38993734       7.47843996      -0.32329891      -2.84652089       1.89610007 
Hf       7.59570003       2.48628001      10.12980001      -2.51291454      -1.36789577       2.33724749 
Hf       7.46056005       7.77025004       4.99483000      -2.54054667      -0.11778778      -0.12338419 
Hf       2.83474995       2.79242005       5.50731001       1.42584693      -0.69963153       0.25010359 
Hf       5.49751999       2.45713999       7.89983997      -2.12953422       1.61580064      -7.04992001 
Hf       4.94622003       0.17185296       4.78541001       1.82844149      -1.74315496       2.25391844 
Hf       2.73036996       2.34496997       0.09577893      -0.36029037      -3.22995406       1.25042161 
Hf       2.34193005      10.37760004       2.44123004       1.73407602       2.31855289       0.07858827 
Hf      10.22970003       2.73735001       2.16628998       0.65488785      -2.39956981      -0.39306626 
Hf       8.12271997      10.29600004       2.75974003      -2.54134090      -0.93049344      -5.00638557 
O       3.90816997       3.80683000       9.82651998      -0.16955814       1.01198430      -2.18996591 
O       8.77475996       9.10549998       9.47893998       2.58834825       4.23714466      -1.36552517 
O       0.83356900       6.14014999       3.67163005       0.06306872       1.79863218       1.87581995 
O       9.03117005       9.29156997       4.35308000       0.34547889      -0.76285453       0.46185961 
O       3.29649002       5.40157998       4.34400000      -0.36119618      -0.61417320      -2.10729530 
O       3.98655002       0.97212401       6.83455003      -0.20252317       0.81414546      -1.87480622 
O       6.40082999       1.60039997       4.30174002       1.44715140      -1.75432659      -2.38851718 
O       8.17638000       1.52112003       8.57115001       2.04139450       0.86134753       0.76367352 
O       8.71646998       6.50210004       3.77533005       0.48488963       1.40661272       0.87722608 
O       8.87619004       3.75190000       6.83622997       1.66088429      -3.14462824      -3.15820130 
O       0.85796195       5.69906998       8.90992004       2.31581052       0.35047783      -0.66942172 
O       3.72215000       6.34795995       9.12979999      -2.61122517      -0.29464599       0.44323263 
O       6.17514996       6.68770000       1.15815005       2.65830616      -3.59825796      -1.78694413 
O       5.51176005       8.62081005       5.52550998       0.75141016       1.87634751       2.50535588 
O       8.77227999       3.76209998       3.60697000      -0.48401762      -0.34299337       0.35162090 
O       6.73483003       0.92217395       6.55338005       0.80552156       0.41228816      -0.01464449 
O       3.72220003       8.46547000       3.68565001      -3.08161609       1.65430903       2.72974089 
O       9.24444999       0.81901097       1.16674001      -2.52638751       0.52606509       0.21710612 
O       1.30743003       9.28731000       3.76739004      -2.11120423      -0.90114674       0.42742742 
O       9.43713004       1.15023997       3.74867001      -1.83773707       2.12843293      -0.92659319 
O       0.91517402       1.23599998       1.22712000       2.94556507       3.01968549       1.64367057 
O       9.04071003       6.02487998       6.41660001       3.39534402       1.10543768      -0.25826547 
O       6.14559998       6.52455998       3.71435997      -1.01839453       0.13422455       0.26974887 
O       8.86414999       6.83862004       8.99005999      -0.01183529      -2.85906894      -1.22434902 
O       9.23094005       8.87163000       1.62699000       0.30508573      -0.81028714       2.01121834 
O       4.10452996       3.73225004       6.85838000      -2.19137074       0.70576760       1.83329500 
O       3.76477003       6.28944002       1.42287996      -1.13333700      -0.68786084       0.28819870 
O       6.19267004       3.87518998       1.08692995       0.30220851      -0.76970066      -3.42070582 
O       3.24719002       8.77809001       6.68388997      -1.14559560       0.54430330      -0.69136517 
O       5.85553002       6.40693998       8.80514997       3.64647540      -0.93929645      -0.81582384 
O       6.87224998       6.26908998       6.06159003      -2.74564374      -0.18613809       0.83714803 
O       1.27684001       9.47629003       1.15317000      -0.29631197      -3.53593434      -1.00559225 
O       1.11786996       3.88738002       0.53183797      -0.44646566       0.78338801       3.27982204 
O       9.11235003       4.52935997       8.89747996       1.23796974      -2.18566485       3.08094892 
O       2.15410005       0.39109196       9.70500998       3.17314655       0.08215431       0.85883538 
O       6.54649002       3.76240999       8.95660003      -0.16438867       1.45880197       0.98859395 
O       8.90121997       6.35789001       1.16611999       0.00362067      -3.48852422       1.43189967 
O       0.97661696       7.09545003       6.33698002       2.47344888      -5.09002486      -2.81446764 
O       1.00616998       3.82973005       3.44195998      -0.93683075      -1.64635734       0.25758593 
O       6.72660001       9.05471000       0.98892003      -1.23649800       0.99174041      -0.78325824 
O       3.81943000       9.17244000       1.10210999      -1.22536974      -2.47414361       2.04537821 
O       6.50300004       8.99908001       3.46690000       1.63683263       2.35017786      -0.13301330 
O       0.97376302       6.99091001       1.39163999       0.16485435      -1.49538574      -1.72637998 
O       4.39170997       1.04369996       0.62522704      -3.44572354       3.21289061       1.73707318 
O       0.97521197       8.26814000       9.14494999      -2.23311862       1.63425440      -1.90461961 
O       4.65843005       3.05083003       4.53309998      -4.84897767      -2.81749049       2.15289455 
O       6.53306998       3.93974004       6.42300002       0.43574523      -2.44388627      -1.53424243 
O       8.15174005       8.45402997       7.01708003       0.92579121       0.72803179      -2.18191884 
O       3.44199001       3.39100003       1.82688004       0.43066161      -1.48439792       0.49540323 
O       5.55278000       1.33720001       9.26702003       1.47465201      -3.02509402       1.51597028 
O       0.35205254       0.53220000       8.64772003      -8.07488812       2.07768156      -0.50947860 
O       4.20948999       0.46556297       2.98069005       1.66621867       1.18363851       2.55923252 
O       6.32715002       9.01439998       8.88131997       0.89780771       0.17942086      -3.94406847 
O       1.83332003       1.41427001       3.84998004      -0.46025453      -1.00531298       1.73115998 
O       4.10393998       6.45324004       6.18433996       3.16130277      -1.26346076       4.44570711 
O       3.85372005       8.72121998       9.17001006      -2.11998703       0.24697812      -0.46431009 
O       1.65187005       2.81955997       8.94893999      -0.16223004       0.97506950      -2.63714545 
O       0.63201901       9.08271998       6.37625995      -2.54191777       6.05362589       0.89343593 
O       5.57466000       4.23894996       3.20403004       4.00953737       2.40729623      -1.49178252 
O       6.74387999       1.45438002       1.17616005       1.20304451       0.08669750       2.13761879 
O       8.92676002       3.37589001       0.68423396       2.05362157       2.99480938       3.34222888 
O       1.50722996       4.14997001       6.39129995      -1.65684493      -0.04482242      -0.68311946 
O       9.65915997       1.55756999       6.38960002      -5.25060649      -5.10557517      -5.76516047 
O       1.38037998       1.36994001       6.55094005       0.22847527       3.41852083      -3.26149512 
96
Lattice="10.46639517 0.0 0.0 0.0 10.46639517 0.0 0.0 0.0 10.46639517" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.023413711505332686 -0.00580888656042983 0.012054264417088166 -0.00580888656042983 -0.02528437113242391 0.0004994329274387076 0.012054264417088166 0.0004994329274387076 -0.025863643153967063" pbc="T T T" energy=-921.83225977 free_energy=-921.83225977 config_type=crystal 
Hf      10.21090000      10.18760002      10.43569995       2.15009317       0.89038333       0.21404113 
Hf       5.16088997      10.39270003       0.10254702      -0.94772711       2.66431066      -3.08521489 
Hf      10.13000000       7.74682003       7.80785000       3.69729566       0.10879604       2.48091248 
Hf       7.76153997       2.79414999       5.05979004       2.11040247       0.42970104       4.09671970 
Hf       0.10603599       4.88111004      10.18240000      -0.06365237      -1.15068288      -1.63803325 
Hf      10.28510004       7.73836998       2.56115003      -0.72170831      -3.94943752       4.08832631 
Hf       2.26419003       5.24386002       2.32474996       1.45980414      -1.20752027       2.21558414 
Hf       7.83607001       5.10541002       2.22494001       0.74329579      -2.93641734       3.98626847 
Hf       7.95777001       7.69221998       0.06237113       0.49942956      -1.41042870      -2.29620631 
Hf       5.37234998       7.87317998       7.62929005      -3.73506784       1.58050178       1.49517306 
Hf       4.91921996       7.99381000       2.24270996      -2.93184249      -5.68575492       3.59614271 
Hf       5.18388998       5.20490995      10.37290001       0.27445623      -0.51777663      -4.49379373 
Hf       2.40075001       7.89325997       5.20205995       1.44410307      -0.42747769       0.80279252 
Hf      10.19850004       5.05128002       4.80402002       3.44125047      -1.57881739       0.40532507 
Hf       5.02944000       5.19988001       4.73106003      -2.29289944      -0.61272929      -1.38189456 
Hf       2.27344997       5.42649003       7.48941003      -2.48943049      -0.53399566      -0.95426767 
Hf       2.78583998       7.63255996      10.13599996      -2.73626230      -1.09050142      -2.14817341 
Hf       2.52366997      10.35569996       8.07847005       2.72907813       0.57483166      -3.87872773 
Hf       5.51215999       2.70569000       2.08139999      -0.61616406       1.21443238      -0.87897350 
Hf       0.03327298       2.66505004       7.59364004      -0.56454505       2.60133086      -1.07047139 
Hf       0.07611204      10.42570005       5.12854002       0.60856692       0.54241657       0.48946335 
Hf       7.39261000       5.44574003       7.42042005       2.30717642      -5.45980994      -0.73688505 
Hf       8.07524002       0.59631303       7.60190002      -0.35357778      -2.00840038      -0.07866123 
Hf       8.08899998       2.21376001      10.32480002      -2.01400478       2.47509866      -3.88279034 
Hf       7.82708995       8.06250995       5.61019002       4.64624172      -0.50628588       0.83767015 
Hf       2.90318000       1.97343002       5.35041001      -5.15999468       2.96301561       3.03038655 
Hf       4.64932000       3.05120005       7.90478996       1.21405328      -3.90317295       1.35326788 
Hf       5.56224001      10.15480001       4.89124999      -6.66435327       2.12843194       2.43040726 
Hf       2.70826003       2.76925001       0.17557598       1.58842292      -5.25008979      -3.92954730 
Hf       2.68941005       0.06231315       2.36449997      -3.41743132       2.38337048       2.46768185 
Hf       0.10338799       2.44421999       2.45629998       0.19023866      -0.00872888       0.54643480 
Hf       7.78442997      10.24059996       2.59568003       2.18116765       6.49766738       0.26706813 
O       3.10794999       3.90731004       8.91916995       0.37232755       1.67780444      -1.25026051 
O       8.95385998       8.94381999       9.29455004       0.63451486      -1.04483686       0.33294929 
O       8.80472002       6.75577999       6.84458997      -0.36137383       0.86144041      -0.76411312 
O      10.01420001       8.45363998       4.65060004       0.05810490      -0.10503991      -5.16559058 
O       0.90121597       6.12367995       3.52125998       0.57441704       6.29534221      -2.90635207 
O       3.94381002       1.14775002       6.94690997       0.29297634       1.03923436       1.09042519 
O       6.85541002       0.98037195       4.64214999       1.49172453       0.44134976      -1.55056909 
O       7.14005003       0.46927203       9.41454004      -0.69923910       1.26071272       2.06189233 
O       5.93688996       6.17454998       3.22735000       0.38294869       2.20077646      -1.54519450 
O       9.05694005       4.44999996       6.21747999      -3.16960810      -0.93862458       2.96181376 
O       1.17590002       6.69028003       8.78418998       2.67438626      -0.62285861      -1.44638020 
O       3.98842000       6.79407004       8.81899996       0.35754259      -0.63746617      -0.27322790 
O       4.04896003       4.01160003       0.86256095      -1.31971501       1.79391035       3.31293893 
O       7.04850999       8.99592003       7.27565002       0.21396000       2.47289494      -2.70507509 
O       9.60554003       3.17406998       4.49474003       0.66008059      -1.53698449      -3.87439240 
O       6.95891001       2.05376996       6.91013996      -0.96922494      -0.21010473       0.89545974 
O       3.40919995       6.69144997       3.55707002       0.16741941       1.30580062      -0.22699711 
O       9.38090000       1.26289000       0.90354003      -1.89431523      -1.23141447       0.14262482 
O       2.25169996      10.30349996       4.53730005      -3.76776669      -1.90960238      -0.35382808 
O       9.41857996       0.85706704       3.43177000      -0.24422827      -2.35549669       0.91890694 
O       1.59213003       6.37372998       0.62330795      -0.88497320      -1.10348261       2.27739017 
O       9.52707995       6.53398002       9.87926002      -2.30994803       1.28981819       0.51036757 
O       6.34984002       6.89161998       6.14992004      -1.20411745      -0.39786317      -0.68387960 
O       8.50875005       6.93688003       1.82161998      -0.08145922       1.22218457      -1.43622033 
O       5.89067999       8.57842002       0.75143296       4.69538081       1.02133607      -1.01784934 
O       4.26618996       3.53793002       6.13939995      -0.77158458       1.74381893      -1.64079321 
O       4.14590000       6.63369001       0.84672498       0.46670331       0.62816953       1.95699992 
O       7.75127997       2.82321004       1.62306995      -5.12302472      -0.30719040       1.52525276 
O       3.94940002       9.16824001       6.51486001       2.77309005      -1.84064500      -1.58347700 
O       6.97667002       5.23921001       0.52241400      -0.72378136       1.26128498      -0.92916238 
O       5.82057001       4.63056997       8.44043997      -0.64919368       0.46685956      -0.81042580 
O       9.03924002       9.19894999       1.65777997      -0.48966573      -0.44817923      -3.11540583 
O       0.91573495       9.15443997       2.13072999       3.47411974       1.51468207      -0.80318147 
O       8.49458001       3.55795998       8.63889004      -1.84269769      -2.56841736       2.37726235 
O       0.68200004       2.74910995       9.36032003       1.89201681      -0.49023278       1.94965027 
O       5.53102995       2.87352995      10.25859997       2.75664077      -1.74567739       0.30627099 
O       8.82327998       5.88273003       3.80251997      -1.13489930       1.60068955       1.23359052 
O       1.13367000       6.54553000       5.86335998      -1.38523684      -2.10154831       1.89219662 
O       0.92699397       4.05124998       3.17465003       0.42343573       0.75846365       1.75444819 
O       3.52727000       9.07757005       0.78443800       0.48516361       3.13521137       2.94546856 
O       1.33748996       3.62911995       0.96286597      -2.18609237       3.75990571       2.38255174 
O       7.15242005       9.10821000       3.96547002      -1.90133084      -2.87118193       0.97996680 
O       1.04015004       1.01899002       0.95952698       4.51173353      -0.63973744       1.27306604 
O       3.89957998       1.54966996       1.51682003      -0.74900352      -2.08054733      -0.02072661 
O       1.46732005       9.20301001       9.35313004      -0.72742457       0.65160507       1.91931120 
O       4.23786999       1.30731001       4.47067004       7.84672064      -3.37606066      -4.72595081 
O       6.67539996       4.58084999       5.54181003      -0.09574604       1.46957503       5.92338344 
O       9.52749997       9.14412000       6.53799001      -1.82979796       3.45662536       1.70299710 
O       3.80238998       3.99529998       3.24658996       2.14811326       0.71918825       1.53929652 
O       3.35079004       1.23203004       9.39303997       0.26076786      -1.16236378       0.59336243 
O       9.81667998       0.74714802       8.75055999      -0.97439168       0.85404604      -0.80660744 
O       4.14108995       9.40351997       3.53230999       2.38503475      -1.16129879      -1.67136004 
O       6.93190995       6.92780995       8.91656999      -1.21306952       0.52971321      -0.41096174 
O       1.97904995       2.00737003       3.38694003      -1.37743155      -2.78114297      -0.84575967 
O       3.59511003       6.34699002       6.29223999       1.65484865       0.16033044      -1.16203066 
O       4.87196000       9.51558000       8.85968001      -0.63636470      -1.09913992       0.20134429 
O      10.34100001       4.59173996       8.25149997       2.97171245       2.97574788      -0.36191878 
O       1.70289003       8.61736998       6.88407005      -1.91890490       1.47563317       1.18508528 
O       6.85701997       3.78547000       3.74231998      -3.24721751      -0.85199985      -7.46544493 
O       6.10171005       0.70576902       1.86554995       1.48332503      -1.43983678       0.11453565 
O       9.45560002       4.10642002       1.58737996       1.83941406       2.09889873      -2.33088120 
O       1.50204001       3.71216996       6.43298998       0.56000560       0.20780086       0.13070409 
O       9.31746998       1.46164998       6.10945999       0.34846962      -2.10367637       1.13761815 
O       1.43504001       0.97178103       6.73193001      -1.55068590      -0.00446439       0.00486064 
96
Lattice="10.46663998 0.0 0.0 0.0 10.46663998 0.0 0.0 0.0 10.46663998" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.028407307233876723 0.0064857867073427715 0.015734772161019414 0.0064857867073427715 -0.052553373789687 -0.008115957467602563 0.015734772161019414 -0.008115957467602563 -0.010643119571602229" pbc="T T T" energy=-924.76736602 free_energy=-924.76736602 config_type=crystal 
Hf      10.37079999       0.24252199      10.46300000      -1.52888789      -1.18003636       2.48268979 
Hf       5.35653997      10.41619999      10.02579997      -1.86820575       0.62564969       0.45632167 
Hf       0.12401200       8.25184998       7.94147004       0.44207499      -1.30889427      -1.54729945 
Hf       7.90128997       2.56457998       4.79991998      -2.48193345       0.71727934       2.95633867 
Hf       0.11032100       5.86890000      10.42426673      -1.79058032      -2.64325537      -0.09663266 
Hf      10.20450005       7.83688999       2.54620998      -0.03535849       1.21689039       1.30498705 
Hf       2.91454999       4.95130004       2.46294001      -0.43895737       0.20864029       0.56240781 
Hf       7.72895998       4.82264002       2.30208000       1.25953524       1.46749242       1.95632232 
Hf       7.78532001       7.96686995      10.26519997      -1.57058974      -1.09691956       1.29881607 
Hf       5.21733000       7.28789002       7.68243996       1.52456514       1.09363680       1.59504105 
Hf       4.78424001       7.69382002       2.44839002       0.75272190       1.15590501       0.07935306 
Hf       4.96515002       4.93714004      10.01660000       2.01398418       2.00017100       2.85106285 
Hf       2.60776000       7.89050001       4.99840997      -3.13602939      -2.18478671      -0.46495012 
Hf       0.05888898       5.34907998       5.30109996       2.13493333       2.31925369      -2.16267897 
Hf       5.34889996       4.73520003       5.62610996      -0.16341902      -1.40621928      -5.30204625 
Hf       2.41831005       5.31538996       7.71671004      -0.85200603      -0.08156611       0.79586974 
Hf       2.76336000       8.06015995       0.03965705      -1.25306979       2.25323691       1.75689302 
Hf       2.65664999      10.44097264       7.59215001      -1.41197073       0.10900889       4.73074071 
Hf       5.51726005       2.74094004       2.13586997      -0.25645092      -0.07929767       5.82544437 
Hf       0.37844199       2.78132002       7.76918998      -1.09922071      -0.30163614      -0.72948888 
Hf      10.22090002      10.46447328       4.82035997       0.17323092      -1.51326218       2.21310733 
Hf       8.42118995       5.14599995       7.56573001      -1.48061363      -2.40957045       2.65019272 
Hf       7.98718999      10.00509999       7.44753004      -1.99513691       5.03853731       5.68436048 
Hf       8.06517002       2.42841999      10.20960003      -0.59305782       1.23723663       1.11814275 
Hf       7.47020999       7.98443999       4.84073004       3.28699826      -1.71248481      -1.05004165 
Hf       2.51227996       2.79317998       5.02962997      -1.29409554       1.33297683      -2.08461738 
Hf       4.97661999       2.74257001       7.98227005       3.72539326      -3.20133059       3.06859529 
Hf       5.12265997      10.38909997       5.17540001      -2.52821438       5.47971216       0.50744698 
Hf       2.28149997       2.54709996       0.55238195       2.14117639      -1.18936532      -0.36596943 
Hf       2.48927000       0.14075998       2.71161000       0.52290701       0.47134712      -0.23792691 
Hf       0.14093802       3.15125996       2.56743999       0.48241396      -2.28075256      -1.94992600 
Hf       7.08543003      10.32909996       2.44346997       7.91460751       3.35133098      -5.42498151 
O       3.74649003       3.48833004       9.46365997      -0.88080257       0.93137451      -2.49956097 
O       9.14004004       8.96762999       9.30883000       3.19235029       0.21624420      -2.11964491 
O       9.75266002       6.33946998       6.80798003      -2.57114722       2.53354387       1.02464577 
O       9.22445998       8.85598004       4.09799005      -2.29677208      -0.91042163      -0.17713418 
O       8.61204003       6.40443003       3.83481999      -0.07368560      -0.77567234      -0.02312481 
O       3.53458997       1.28521997       4.43628996       1.15481517      -3.60131430       1.12161995 
O       5.73833997       1.67691000       3.85558999       1.53036172      -3.11477857       0.52889000 
O       6.71934998       9.32888000       8.99371998      -1.83307301       0.46132000       1.47745805 
O       3.44378004       6.70465001       3.51754997      -1.75025263      -1.88041714       0.99381760 
O       9.58260998       3.94574000       6.26183996      -2.54184031      -0.63050774       1.16726188 
O       1.60230003       6.86848003       9.41949996      -1.27885342       0.18698790      -2.75542405 
O       3.90514001       6.17136999       8.74224001       0.87587559       0.00537719      -0.03904489 
O       4.03916000       3.33639996       1.19951996      -3.21396902       3.26099075      -2.02158593 
O       7.03023996       8.32072999       6.87276005      -2.36484094      -2.22107188      -2.41189826 
O       9.06091999       3.59263000       3.61631999      -0.90830433       2.21044598       0.56131985 
O       6.65814997       0.52888403       6.48448005      -3.41741021      -0.34136693      -1.99215105 
O       0.80807600       6.93749999       4.22605002       0.73328514       0.86482123      -0.30735836 
O       9.04186997       1.54296004       1.70238005       0.82096990      -0.15334365      -2.75225686 
O       1.75365005       9.25789996       1.44604000      -0.15390011      -2.08880664      -2.33697387 
O       8.48596003       0.87264501       4.24481995       0.90154353      -2.14803357      -0.91125572 
O       1.36602002       4.53090996       0.86638502       3.54699808      -3.32999302       1.69434108 
O       8.71227004       6.49432005       9.08427996       0.78770344      -0.70865024       0.11104235 
O       6.56703002       5.63184003       6.74133003       1.29942133       3.71580390       1.39498450 
O       9.00148999       7.03713005       1.09697002      -0.14572257      -3.05772421       0.06385453 
O       8.98548995       9.33334999       1.71276997       1.02466139       1.36158449      -1.55702509 
O       3.94001004       3.95859000       6.85057004       0.52835441       0.73564065      -1.87249951 
O       3.74079000       6.59517000       1.10843999       0.08964939      -0.81330254      -1.44472749 
O       7.38133000       3.04668996       1.59901999      -0.53217242       1.86608772      -0.86192390 
O       3.62460999       9.40232996       6.32909001       2.95159829      -1.02635189      -1.62983903 
O       5.56571996       4.83470000       1.69219004       3.37008686       2.77391201      -0.58458866 
O       6.43323004       4.28061000       8.77674004      -2.39652586       0.53132605       1.72182417 
O       1.17152997       9.44467997       9.16678995       0.77115862       0.96511131       0.67266918 
O       1.06693003       6.86702998       1.26280001       0.35488751       1.28968806       2.11071498 
O       9.16776000       3.68311002       9.22106000       0.26277859       0.40976542      -2.63436266 
O       1.16580995       1.69336000       9.45809999      -1.67324546      -0.43375265       0.28174250 
O       6.60554003       1.90499002       8.96748995      -2.73857747      -1.04274532       0.68143569 
O       6.03759000       6.95082004       3.99429003      -0.09592437       0.83054785       0.00381094 
O       1.48959996       6.64044000       6.72244999       0.76013114       2.94034760      -0.70460208 
O       1.15343001       4.35368002       3.93595003       0.14708461       0.42052838      -1.98323557 
O       6.65605999       8.63312999       1.62030997      -0.16772705      -1.90498843      -0.78834643 
O       0.85212098       0.94037998       1.75886003      -0.02544860       2.82413588      -1.15256229 
O       6.45893998       9.85603002       4.03447000      -0.09914173      -6.64417586       4.57718371 
O       4.42614004       9.30816997       1.25726002      -0.81705292      -1.27536686      -1.49470200 
O       3.40200004       1.03222998       1.21583002       0.02765731       0.43323338      -0.98444078 
O       1.15817998       9.52376004       6.70459003      -0.40856946      -0.35712260      -0.95594635 
O       2.33715999       2.86180001       2.75398995      -2.23823275      -1.21936856      -1.91956983 
O       6.78114000       3.10048995       6.32597995      -2.98589837       1.71423355       1.87577951 
O       9.28165002       9.19224995       6.43962003       2.79532594      -1.30412548      -0.88063826 
O       3.94509997       4.11694995       3.90573001       0.50114489       0.18028022       2.62896072 
O       4.10340999       1.17551001       9.01308996       0.18780273      -1.29637892      -2.00256805 
O       8.42991997       0.69233799       9.57825000       4.01702281      -1.63857902       0.34666864 
O       3.52515001       8.99205002       3.67801005       4.13545561       2.01680275      -0.08014344 
O       5.98074997       6.85517002       9.70613005       1.00267564       0.42593962      -0.76578018 
O       0.86961900       1.61609998       4.77429000      -0.28838720       1.11836541      -1.22139125 
O       4.09646998       6.61091999       6.09726000       0.89107884       0.15638130       1.01923015 
O       3.87268003       9.13085996       9.04978003       0.33021892      -1.14550314      -0.45817322 
O       0.96089103       4.47882000       8.80215001       0.27523168       0.21316854      -0.68230244 
O       1.23051995       9.39237001       3.91036004      -1.07976090       0.76546277       0.78795396 
O       6.37886998       3.76366997       4.02394998       2.32568607       3.46700852      -1.76827788 
O       6.00845998       1.03874996       1.30868000       0.30495687      -2.00243039      -3.28899462 
O       9.65115004       4.34583998       1.22006001      -3.06467170       0.94932747       1.37201883 
O       1.61982997       4.24318003       6.20360996      -1.04984769      -1.14815077       1.43922233 
O       9.32007002       1.73117001       7.03800004       0.79319547      -2.54544689       0.05351793 
O       2.30305005       1.81072003       6.99000002      -0.19615405       0.49517459      -0.12548846 
96
Lattice="10.46696197 0.0 0.0 0.0 10.46696197 0.0 0.0 0.0 10.46696197" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.024629230128384107 -0.0034308447824281225 -0.001755694293301724 -0.0034308447824281225 -0.03270318161541857 0.0071396082625948655 -0.001755694293301724 0.0071396082625948655 -0.03409113530362657" pbc="T T T" energy=-922.96277726 free_energy=-922.96277726 config_type=crystal 
Hf      10.43350003       0.00493800      10.45630001      -3.40487758      -1.43533492       0.09652457 
Hf       5.36532001       0.01243800      10.26970003      -2.61610488      -0.16371204       0.23985810 
Hf       9.89421996       8.20707004       7.69119996       2.63121602       1.29129662       2.05934918 
Hf       7.81788003       2.67916001       5.24382004       5.74811228       2.73903220      -4.98524717 
Hf       0.01611148       4.98244995      10.27620002       3.05858998       1.35906692       1.69305072 
Hf       0.15032504       8.06664999       2.64070000      -2.68211736      -3.24903547      -2.13156297 
Hf       2.47537004       5.19471000       2.50333996       0.46988534       0.22296136      -1.67837429 
Hf       7.87578996       5.16463004       1.96923999       2.43886358      -0.09443055       3.80850563 
Hf       7.69561995       7.78824000      10.37789995      -0.01458387       2.01570809       2.75025649 
Hf       5.26905002       7.96323002       7.68230001      -1.13156160       0.27424696       1.78078989 
Hf       5.70419000       8.03592998       2.39771000      -6.31339538      -2.99753465       2.27814537 
Hf       5.33625996       5.04407995       0.05733802      -2.98463659      -2.26262407      -1.18160794 
Hf       2.44885995       7.93477004       5.43653000       3.55094633       0.78867597      -1.71403867 
Hf       0.23495702       5.47361999       5.04173995      -2.58596090       2.01173959       1.34968952 
Hf       5.55538999       4.75576999       4.97910000      -1.63354926       2.11305200      -1.24762705 
Hf       2.90128998       5.06059001       8.33408003      -0.71780414       1.34166490      -0.11765858 
Hf       2.60494004       7.80299999      10.27479996       3.75709099      -1.01613584       3.06901251 
Hf       2.30706004      10.07290001       8.17637997       1.52134898       3.51439735      -1.97771537 
Hf       5.35123996       2.35755004       2.28865995       2.47541263      -0.34865452       1.69722622 
Hf      10.23839995       2.99605001       7.63867999       3.22178916      -2.23236119      -2.77588710 
Hf      10.34249995      10.44435365       5.07858000      -1.49199207       1.45483772       2.44855378 
Hf       7.73403998       5.50723998       7.89070999      -0.56134607      -1.49707873       1.08253191 
Hf       7.62373997       0.29390099       7.47094996       1.05271649      -2.93259310       1.53951123 
Hf       8.12371001       2.44703995      10.29909995       0.49032202       2.75641848      -0.83485259 
Hf       7.74214999       7.93962995       5.20369002       0.27092464      -2.22298087      -1.05143794 
Hf       2.32512999       3.11208999       5.26747998      -0.58304926      -0.68297137       1.22936854 
Hf       5.33428997       2.62740005       7.39724004       5.49354989     -11.97218408       3.76043314 
Hf       4.93198998       0.18377798       4.97132001       1.66392741      -0.02183876       6.10990461 
Hf       3.01118000       2.51660003      10.42999999      -2.67340038       2.19553922      -2.84488690 
Hf       2.34571997       0.13859001       2.45724001      -1.04278577      -1.59612706      -0.64945834 
Hf      10.37200004       2.73078998       2.96358002       0.77114674      -0.71618566      -3.97812637 
Hf       7.87296001      10.44289999       2.48727003       1.11841115       2.32743215       0.74292820 
O       4.65944997       3.11388999       9.34617004       0.02845757       3.50855306       2.16986767 
O       9.27402996      10.03120005       8.51245999      -0.85750643      -1.37678675       1.92138027 
O       8.91295002       6.67314995       6.94355000      -0.50824632       0.96468313      -1.40655361 
O       9.17591005       9.39292000       3.67315003       0.73534091      -0.53074850       0.71647228 
O       9.21376999       6.62010998       4.39999000      -0.89802855       1.93019067      -0.51619008 
O       3.92730995       2.09929995       5.45967004       4.25942610      -2.62570585       0.29665836 
O       4.53809005       0.18296396       3.27371998      -8.57535228      -1.16639123      -6.21570233 
O       6.43219002       9.23853001       9.22501998       1.20184489       0.66145246      -0.94102450 
O       3.47930995       4.85084999       4.83499003       0.78303374       0.87720330       0.13244279 
O       9.22447999       3.98440001       5.88881999       1.71253048       0.62021717       1.04518178 
O       1.34158003       6.41177997       9.69696996       1.07869755      -3.66090585      -4.46859381 
O       4.10394998       6.32155005       9.38584998      -0.27902682      -1.84358768      -0.69477496 
O       3.40512997       4.33078004       0.91530798       3.18438871      -0.73728467      -4.04509008 
O       6.06251995       9.29715002       6.49963002       1.42160034       0.65318991      -0.04539967 
O       8.84698995       3.80521001       3.26200002      -0.98378289       4.45050403       1.48798983 
O       6.84516003       1.37459000       6.03028998      -7.20621581      -4.02623090       1.43922800 
O       1.44537995       6.79862999       3.81566002      -0.27586246      -0.37856898       1.09015183 
O       8.76521995       0.84669296       0.79408402       1.00416117      -0.24082811       1.24945502 
O       1.47113004       8.80647998       1.43809997       2.66457540       3.29298207       0.44277005 
O       6.34402000       0.86477600       3.53658998       3.16506320       1.83755106      -1.32717183 
O       1.49855997       3.37969996       1.76365002      -0.50031105      -0.06689540      -2.05010731 
O       8.97787000       6.92533999       9.38239002       3.09218167      -1.58960478      -2.18572950 
O       6.49415998       6.44630995       6.00994995      -0.40455410       0.11728704       2.35276701 
O       8.76738996       6.98923996       1.56428003      -2.26146816      -2.74477292       1.09742803 
O       9.41610003       8.94007997       1.03600001       0.49687984       2.22192951      -0.85940107 
O       4.29228999       3.87868997       7.21531001      -8.60171310      12.04588654      -2.48698790 
O       3.33688004       6.70211005       1.26462002       0.04476057      -2.44366134       3.10174781 
O       6.71412999       3.75474000       1.33566997      -4.37627832      -2.11244431       3.69051760 
O       3.80914999       7.81155003       3.79043004       0.84042358       1.01928422       1.46365705 
O       6.48099003       6.34801995       0.83995297      -0.13431955       3.83205785       2.42703817 
O       7.11390995       4.34324996       9.93488003       0.22043873       2.09995126      -5.58191518 
O       1.20351002       8.71921001       9.36780997      -3.82816833       1.50846158      -2.81953154 
O       0.66858798       6.27925996       1.33241998      -0.44284636      -1.37310112       2.79525888 
O       9.05494996       1.44030997       6.57191004       2.98982188       1.30519382      -0.15868358 
O       9.28464001       4.25135003       8.81490997      -0.95261267       2.53085838      -1.72782169 
O       7.06725002       1.73090999       8.66324003      -0.71372738       0.14139335      -0.01767177 
O       6.59443997       5.89355995       3.70892998      -0.59031290       0.61894526      -2.59738636 
O       1.19948998       4.52081004       6.56419003       1.25289753       0.29493673       1.27295404 
O       1.09545999       4.13283001       3.83138998      -0.06107395       0.79799742       2.19723995 
O       6.72489003       9.23673000       1.37162995       0.71763891       0.60060409      -1.92905888 
O       0.62094299       0.98793300       1.71078997       2.03338104      -0.84238269       0.97312615 
O       6.54229995       9.04608005       4.01040999       0.40984551      -2.11566702      -0.93934509 
O       3.75776997       9.06522004       8.90851999       2.19118973      -3.00002155       0.45130364 
O       3.86825001       1.28443000       1.10746999       0.55518344      -2.65234367       2.16571111 
O       0.75571403       7.34621999       6.32865000       0.42546524      -1.80385963      -0.70046059 
O       1.00203995       1.50282997       4.21649997       0.75923169       0.92506772       0.83948439 
O       6.94436998       3.71299001       6.86010999      -1.23102835       2.61498877      -0.47597762 
O       8.68425999       9.50544005       6.18293000       0.95814915      -3.14744654      -0.84123979 
O       3.92934996       3.46476998       2.90392002       0.04476409      -0.36973027       1.34274387 
O       3.99561996       1.04990003       8.82923003       1.05512155      -1.09839385       0.04100196 
O       9.96525002       2.06097998       9.34597002      -0.62784396      -1.70807725       0.47549292 
O       4.33101000       8.76088998       0.92212396       1.54984709       2.92022401       0.10243503 
O       6.51637004       6.85340004       8.81789002       0.44994176      -1.23960200      -0.97933974 
O       0.80758295       9.59156996       7.01685997      -1.27475363       1.09000560      -3.86154166 
O       3.80122995       6.90052000       7.05424000      -3.16142187      -0.48877908      -2.41772458 
O       3.44056000       9.83345004       6.26382004      -0.67338473      -1.72797582      -1.17998000 
O       1.67282002       3.64230002       9.24263002      -0.78637875       1.67048211      -0.67467784 
O       1.20158002       9.59033004       3.99362004       2.45039199      -2.49520543      -0.81572670 
O       6.42107003       3.22467002       3.94957004      -1.76665750       2.03200484       1.66709591 
O       6.66837001       1.42489998       0.66593596      -5.26002844      -2.19650076       1.44520711 
O       9.28128995       3.86736001       0.97281598       0.31690067       0.11170696      -0.42940153 
O       1.75303003       2.02047001       6.87492001      -2.06591701       0.34717639       0.37852415 
O       8.58342997       1.66384000       3.50363004       2.58122206      -3.04017403       1.41968536 
O       1.61219998       0.50403195       9.71831000       3.32693532       4.23642102       1.13103446 
96
Lattice="10.46737705 0.0 0.0 0.0 10.46737705 0.0 0.0 0.0 10.46737705" Properties=species:S:1:pos:R:3:forces:R:3 stress="4.99305375958211e-05 0.0041569785837184525 0.0024591388233044425 0.0041569785837184525 -0.02529668009371068 -0.004384042145423871 0.0024591388233044425 -0.004384042145423871 -0.005463747976567654" pbc="T T T" energy=-934.76821845 free_energy=-934.76821845 config_type=crystal 
Hf       0.14477900      10.42389996      10.39940002       0.78539044       0.43381723       2.13219995 
Hf       5.09043001      10.46100001      10.04190005      -2.49966598       1.55740960       0.89832917 
Hf      10.41499997       8.26230998       8.06068004       0.89482463      -0.24057803       2.67923259 
Hf       8.06915997       2.73758996       4.71549998      -2.18382516       0.19293463       3.40068162 
Hf       0.43191601       5.12077996      10.41740003      -5.39673954       0.27027442      -0.49667693 
Hf      10.00739999       7.70513998       2.47101004       0.99539377       0.04918564      -2.86193158 
Hf       2.37578005       4.98316996       2.76624001       1.37418589       1.59357455      -1.64754711 
Hf       7.87918995       4.99172003       2.34256999       0.81586756       1.75124703      -2.29451952 
Hf       7.76910005       7.70752999      10.34790000       2.54005221       0.02341790      -1.25688799 
Hf       5.34441998       8.00929997       7.57036999      -1.11285957       1.91730610       1.75063424 
Hf       5.50494003       8.01284998       2.49332000       0.27207350      -3.07730597       2.67351964 
Hf       5.37507997       5.31127000      10.25119996       0.10271631       0.23358185       1.50625080 
Hf       2.90837997       7.64546996       5.12109001      -2.27818285       1.81156295      -0.65698386 
Hf       0.04499590       5.87240997       5.29569004       0.11657458      -1.39738080      -1.02367832 
Hf       5.17936996       4.89503004       5.14255002      -1.38274094       2.08573627      -2.03378171 
Hf       2.84556001       5.44615001       8.07104996      -0.72153333       1.94627512      -0.49486386 
Hf       2.82748997       7.80838003       0.27596601      -6.63206805       2.32969377      -2.72849835 
Hf       2.51031996       0.24834501       7.75656997      -1.14615865      -1.19064918       1.96780915 
Hf       5.25243999       2.25423004       2.43172996      -4.71124979       2.40629905       0.27394891 
Hf      10.22950004       3.07432003       7.52303996      -2.14974145      -3.51495226       4.80511609 
Hf      10.34330001      10.17959996       5.16162001       3.93975166       1.16835317       1.35069216 
Hf       7.79436997       5.32749998       7.57977001      -0.65553496       1.86395675      -0.11615507 
Hf       7.55683996       0.25739301       7.83627004       2.18544261      -1.12058954      -2.37656914 
Hf       7.78856005       2.58587998      10.20030004       2.61710158       2.83531173       0.22737504 
Hf       7.82709005       7.94706001       5.11312004      -2.13835903      -0.62213711      -1.51925121 
Hf       2.31716996       2.95234003       5.50388000       0.25416154      -0.92711364      -0.41254890 
Hf       5.37298000       2.87111004       7.83676002       0.40084023       0.51504834       1.51422177 
Hf       4.98856004       0.21360996       5.29388003       1.90511611       0.68586693       0.63094478 
Hf       2.52265001       2.75536001       0.17405395       1.39382608      -2.77584782       0.62569522 
Hf       2.52951996      10.35980005       2.69011998       0.02533038      -0.87725242      -2.68554797 
Hf       0.18074303       2.23288999       2.84591004       1.53759715      -1.88412492      -2.62437801 
Hf       7.47401998       0.12220495       2.39532997       4.14882484      -3.73299709       0.34424948 
O       3.95494999       3.94696998       9.41592997       0.92278663       3.02843579      -0.56749963 
O       9.25668997       9.24139996       9.55776000      -0.38913180      -0.22712087      -0.06697178 
O      10.35709999       7.46657003       6.28005003      -3.15935633       0.05753177      -1.24186486 
O       9.63319995       8.88027001       4.00695004      -1.74318359       0.81987667       1.59656551 
O       8.61092001       6.77890000       3.66464001       0.18312882      -1.36858113      -1.05523876 
O       3.21950004       1.21979998       6.06215996       2.21557007      -2.05236399       0.73035965 
O       3.64652998       8.43018996       2.82511000      -0.35998705      -0.38935681       1.31924141 
O       6.73586997       9.19936004       8.84542997      -0.05487358      -0.88874880       2.29044243 
O       3.98304003       3.09412002       4.26262996       0.85330278       1.12659796      -0.26477869 
O       8.51600005       5.24671999       5.49122996       0.82618360      -0.25494694       2.60431113 
O       1.17249005       6.28459005       8.88823003       0.19151714       0.40863207       0.58312252 
O       3.71545002       7.37501000       9.00262998       0.30824262      -0.24762598       1.32539847 
O       3.76080003       3.86701000       1.64827996      -0.71603409      -0.31678771       1.02933271 
O       6.43531002       9.47870000       6.23810997       1.64193882       1.92203332      -0.07998787 
O       9.41293002       3.61891003       3.60792002      -1.85568946       0.92329960      -1.24799141 
O       6.26818997       1.48714003       6.77149998      -1.60883000      -1.25475965      -3.26953551 
O       0.88515500       6.88018003       3.69675999       1.64362025      -1.99222657       1.46654374 
O       9.73556996       0.70654198       1.74987005      -2.40498350       1.38580895       0.04827129 
O       1.39361999       9.06173999       9.30835998      -1.04940668       0.54513679       1.00179388 
O       6.27818004       1.61499999       4.16840001       2.33735942       0.19462598      -1.06678820 
O       0.95410299       3.44563003       1.38636002       0.87804414       4.78486307      -0.02956226 
O       9.05469000       6.86717003       8.95766004      -0.38056085       1.12291811      -0.36904567 
O       6.81266995       7.19058005       6.61627998       3.18651393      -2.32161193       0.02684597 
O       9.11133997       6.08621002       1.12568999       0.89447288       3.26986893       0.11238666 
O       8.42724004       8.85394005       1.58338997       0.21509960      -0.12420030      -0.39201468 
O       3.57163004       4.18468003       6.53830001       0.09965680      -2.07538856       0.65736222 
O       3.83395004       6.44866995       0.83620798       5.30602408      -4.69720787       2.56360369 
O       6.53344000       4.27191996       0.99359096      -0.57875492      -2.47662060       0.46011384 
O       3.55615004       6.00874002       4.09005002      -0.07059537      -1.41617761      -0.33131756 
O       6.49399997       6.52375998       1.39522003       0.17985465       2.07119238      -1.13090733 
O       6.78254003       3.96068004       9.02420000      -0.64212718      -0.90191516      -0.16080775 
O       1.65109998       8.94508003       6.97021005       0.75244129       2.72070948      -1.10318877 
O       1.31439000       6.37050000       1.19265995       0.79702834      -0.62507048       0.98946770 
O       8.48114002       2.60040996       6.70533004       0.15406903      -0.00764568      -2.16295714 
O       9.30007997       4.55429002       8.38200998       0.94694765      -0.63398465       2.13681534 
O       6.63218003       1.50438001       8.99322002      -1.79640798      -1.01405184       2.94973427 
O       6.07151005       6.62407001       4.12093004      -0.51936504       1.89656655       0.78314881 
O       0.58663305       4.28200999       6.46707003       3.24507119       1.38638516      -2.58899163 
O       1.36684998       4.06928002       4.16599000      -0.41996941       0.93320549      -1.62764072 
O       6.09367995       9.39231002       1.26000005       0.08173526       2.35520990      -2.67976680 
O       1.71598003       1.42861002       1.61137995       0.23249651      -1.70094005       1.98054623 
O       6.80396005       9.22748002       3.69679004      -0.63018712      -0.37444140       0.84776111 
O       4.41971995       9.83907997       8.35768003      -1.69821564      -1.09034538      -0.93241877 
O       4.01508005       1.32700999       0.75576797       3.53590071       2.19004630       0.74666560 
O       2.12270001       6.36638998       6.34971995      -1.33089503      -0.49926931      -0.99807683 
O       1.46467997       1.45282996       4.15153005      -1.27255552       0.29155272       0.24831127 
O       6.18544002       4.41277003       6.76351997      -0.22521554      -0.06895306      -2.49415157 
O       9.28986998       9.94080005       6.86719002      -0.38991475      -1.41799117      -0.29269145 
O       4.56640004       0.43709704       3.08434998      -0.61204035       0.14117936       1.71207076 
O       4.24422998       1.63857001       8.67844003      -3.55694222      -1.58332722       0.62533427 
O       9.19243995       1.32429999       9.07768003      -0.61156992       0.96942163       1.29021707 
O       3.30677002       9.58585004       0.62097798       2.74035825       1.27900250      -0.29170610 
O       6.70266996       6.35687995       9.03289002      -2.60874699       1.55523184       1.96846950 
O       1.75933999       9.56181998       4.26703002       0.01355705      -1.91975626       2.82223186 
O       4.37430996       6.37554004       7.22483004       1.76683654      -1.94952479      -3.47168664 
O       4.24886996       8.83770997       6.02568000      -1.50928792       0.24810352      -2.06750681 
O       1.32809002       3.73588998       9.29207996       0.45272546      -0.17314415      -1.31829721 
O       0.93179900       9.19293004       1.85458003      -0.28830047      -0.51355670      -1.81490002 
O       6.58395002       4.30980004       3.68922003      -0.14900773      -3.28567505       1.25456708 
O       6.90576000       1.73841005       1.35912998      -0.30699079      -0.91210910       0.38967463 
O       9.04414004       3.86026000       0.58377399       0.14614772      -1.30775248       0.46139725 
O       0.67569599       1.46617995       6.95230005       3.30580932      -1.68219826      -1.12791679 
O       8.99918998       0.94293105       4.29094997      -0.58530415       1.86840693      -0.66656623 
O       1.68594002       1.07609001       9.79719005       0.17357865      -0.04038945      -3.66041346 
96
Lattice="10.4678701 0.0 0.0 0.0 10.4678701 0.0 0.0 0.0 10.4678701" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025021840763087985 -0.0008821728214298009 0.016199277784393444 -0.0008821728214298009 -0.04074084654749695 -0.006603517404165583 0.016199277784393444 -0.006603517404165583 -0.028065939432786912" pbc="T T T" energy=-926.44226654 free_energy=-926.44226654 config_type=crystal 
Hf       0.45822997      10.45250002      10.26199996      -1.61955430       1.51923353      -0.73310369 
Hf       5.26287002      10.33699995       0.05922993       1.63258168      -2.40448555      -3.70602715 
Hf       0.02408971       7.77453004       8.12375996       1.89246729      -0.23206115       0.13223021 
Hf       7.71292003       2.51426997       4.93245997       3.75458135      -2.44922210      -2.00779988 
Hf      10.01279996       5.21870001       0.23271405       5.09342730       4.26668687      -8.87836807 
Hf       9.89383995       8.00716003       3.00412997       1.76376932      -1.46693581      -3.57441438 
Hf       2.32952002       5.22330995       2.55723995      -1.24152155      -0.61739174      -1.57027921 
Hf       7.49140001       4.83590999       2.53570995      -5.50497224       1.66160945       2.50868664 
Hf       7.90038995       7.91244999      10.36500004      -2.46713708       0.85018426      -0.66674348 
Hf       5.24862001       7.81083000       7.67350997      -3.29751198      -0.86856488       1.07067268 
Hf       5.19336002       7.89906996       2.99369999       2.61042735      -2.42233955      -0.76934777 
Hf       5.02345999       5.28170999       0.01322992       3.18294439       0.89933135      -0.13239635 
Hf       2.31727000       7.90441998       4.39519005      -2.14677481       3.89475841       7.01334874 
Hf      10.34019998       5.26491000       5.38696003       1.73877500       2.84092462      -3.01587490 
Hf       5.34671002       4.77535996       5.53620998      -2.16151569       5.59697913      -4.08883993 
Hf       2.80009004       5.38930002       7.99853000      -1.78815778       2.41548119      -1.92323834 
Hf       2.72574000       7.90637004       0.39139597      -0.65002627      -3.09838657      -3.52073340 
Hf       2.77656004      10.41609999       7.66664001      -2.38069638      -1.05642979      -1.24847884 
Hf       5.32111001       2.23755005       2.37626000      -2.36456339       2.58433319      -2.24881803 
Hf      10.45520000       2.88753004       7.62993997       1.03822847      -0.35356471       0.95678802 
Hf      10.30660000       0.32788803       5.25222001       4.06923143      -0.50472111      -0.66139211 
Hf       7.61189996       5.30827001       7.99008997       0.80506035      -0.43033095      -1.45231094 
Hf       8.13440997      10.44479996       7.72331002      -0.68341506      -0.39855529       3.98670930 
Hf       7.69173997       2.44799004       9.99062996       2.82047439      -2.01830406      -0.43373706 
Hf       7.93812003       8.32035002       5.55611997       1.68960195      -1.74031790      -0.77982526 
Hf       2.75205999       2.78684996       5.37661997      -1.98043734      -3.95535400      -2.77510105 
Hf       5.25363003       2.45272999       7.71034996      -1.87378229      -0.48370886       2.15259987 
Hf       5.39492001       0.12943804       4.88202996      -0.38014362      -3.03013874       1.10973077 
Hf       2.54546004       2.59921004      10.02010005       0.28218760       2.29829736       2.87837957 
Hf       2.62811999       0.22582598       2.67698003      -2.18028756       1.60335281       0.55551598 
Hf      10.30160002       2.66288002       2.46826996       5.72554767       0.87127025       0.78532113 
Hf       8.19496995       0.40095303       2.26827000      -0.48080998      -2.57757711       0.26627310 
O       3.70794004       4.24066000       9.36315997       0.40768262      -1.29700792      -0.43879441 
O       9.21119005       9.38579004       9.60019997       0.50628446      -2.66600360      -3.14342436 
O       9.20925004       6.95488995       6.93702998      -0.91447808       2.29727835      -0.84804149 
O       9.16427002       9.36377004       4.19744999      -0.92450693       2.05810225      -0.76740113 
O       8.90636002       6.94115998       4.41957998      -0.96042407      -1.27580858      -1.79694106 
O       4.45136001       0.85675696       6.54544999       0.45963086       0.42872551       0.91097286 
O       3.84872996       9.27305003       3.98386001      -0.37187900       2.94391846      -2.70040861 
O       6.55257997       9.24364003       9.28440003       0.48245627      -0.23966703       1.28582032 
O       3.91659003       3.85905997       4.28513003       0.39496926       4.08791955      -2.19409529 
O       9.27420997       4.81428002       6.84376995       0.35156846      -5.54810380       1.02667506 
O       0.99285696       6.57495002       9.41788003      -0.42652326      -0.66325315       0.39056123 
O       3.35577996       7.17308004       8.72999996       1.47114526      -0.80515462       1.78088507 
O       3.73136996       3.00974996       1.34888001      -0.61437619       0.01031549       0.01563272 
O       6.77792003       8.75893996       7.05335995       1.71399586       0.19038408      -0.03836099 
O       9.12664996       4.16924003       3.90896000      -3.40541793      -1.48252411       2.64796772 
O       7.50855005       0.13131305       5.86719995      -4.21948024       1.38701540      -3.64249230 
O       0.72757099       6.82992002       3.98804999       0.41391170      -2.03387525       2.58228278 
O       9.18733995       1.15556995       9.11054996       0.61679725       1.78591007      -0.12711568 
O       1.37938003       9.27761999       9.05260998       0.77760187      -1.72456087      -2.08982313 
O       6.54158002       1.14623000       3.53389003       3.44795822      -2.84599043       1.79844062 
O       0.86271203       3.98052003       0.92662905       1.25517550       0.47062994      -0.95918538 
O       8.69268001       6.38489003       9.25789999       2.94708863      -0.84541441       0.75929582 
O       6.90435997       5.92791998       6.20690002       2.20376205       0.64643713       1.33213027 
O       9.59959995       7.62133999       0.84607104       0.38233404      -2.06164791       2.85396566 
O       9.85214998      10.35899996       1.38468002      -0.27297617       0.49645764       2.19812299 
O       3.75289002       3.58534998       6.84734996       1.53770085       0.70835137       1.21209756 
O       3.32741004       5.79809002       0.76577997      -0.10162184       1.04216934       1.95591053 
O       6.10242000       3.97775002       1.03445000       2.33828351      -1.16790825       1.82759369 
O       3.52837996       6.94475004       3.37051997      -0.04841230      -3.98645458      -1.37402199 
O       6.28030000       6.58558998       1.18580001       0.97597812      -0.18122187       1.78951691 
O       6.51307999       3.48090000       8.99444997      -2.50039197       5.90135888      -2.08493516 
O       1.80216003       1.46765997       6.54957999      -1.44991443      -0.06930184       0.89652359 
O       1.35657996       6.83889004       1.90981998       1.16595177       0.13864230      -2.64403496 
O       9.40764004       1.42329997       3.78884003      -1.67717275      -0.53789395       1.79261809 
O       9.12583001       3.62122002       9.14591995       0.79443370       2.24584448       1.10609957 
O       6.67689996       1.39256996       8.35604995       2.95342262      -3.37660894      -0.16822263 
O       5.93449998       6.15877001       4.04741998       0.07383534      -0.70933426      -2.59278696 
O       1.52038999       6.77393000       6.55289003      -0.26766149      -1.62998992       0.15604184 
O       0.85867101       4.02535004       3.42328003       3.36174909       3.16879571       1.02273291 
O       7.57348999       9.25316003       1.25533001      -1.84521909       0.40373489       3.14450440 
O       1.41477996       1.76240997       1.42352000       0.78668994      -2.62171860      -2.12913752 
O       6.39737998       8.84463005       4.23191996       0.45303421       0.68671946      -0.34047047 
O       4.06080001       9.59180002       9.10933997      -0.74328064      -0.75678954      -1.17488599 
O       4.64136996       0.38018802       1.81221002      -1.69313700       1.35602135       1.84331600 
O       1.69398004       9.56120003       6.20190004       0.40434991      -0.67065467      -0.87395790 
O       1.44380004       1.59240998       3.97849000       0.75564157      -1.92388669      -0.41890768 
O       6.43453998       3.37700000       6.09748001       1.57835635      -3.97039955       3.45392970 
O       9.64052000       9.53722997       6.60076002      -0.96114303      -2.03659034       2.34214737 
O       4.30981996       1.60209998       4.04490999      -1.98687435      -1.34173964      -0.15365193 
O       4.34167997       1.53079997       9.46662000      -1.46624664       1.62007605      -0.40887569 
O       9.07747002       1.48239999       6.40744002       2.65022118       4.23595092       0.90380740 
O       4.50226998       8.57545997       1.13825002      -0.45630899      -1.19424359      -0.32003170 
O       6.42156003       6.36615998       9.12106996      -3.45092530       0.96652277       0.54424458 
O       1.05982998       9.32205003       3.19985004       2.22516611      -0.18234344       1.84838876 
O       4.86156999       5.78095998       7.10022000      -3.72633372       0.36335948       1.99113541 
O       4.25176997       8.25789001       6.00973999       0.26975388      -0.04060043       1.98532333 
O       1.30154001       3.99502002       8.54044997       0.77157053      -0.51757935       1.41462263 
O       2.10715995       9.63166994       0.90607005      -0.39097313       2.41944742       1.46420667 
O       6.54676999       3.34038999       3.58996003       0.30332825       3.32808861      -0.24641237 
O       6.97299999       1.17422998       0.78089704      -4.03096530      -1.45912165       0.13863288 
O       9.13361999       4.93618004       1.71561995      -1.58576197      -0.33930296       2.91361720 
O       1.34090998       3.84727001       6.07585998      -4.31025728       2.75107741      -0.00380665 
O       8.51774997       2.31229996       1.88091003      -1.30009700       3.36566243      -3.02954999 
O       1.46045002       1.38017998       8.82821004      -0.02706739      -0.49627353       2.15058310 
96
Lattice="10.46845172 0.0 0.0 0.0 10.46845172 0.0 0.0 0.0 10.46845172" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012664834080444972 -0.007942200251084828 -0.007079218859364348 -0.007942200251084828 -0.005373630558721482 0.02178786734047443 -0.007079218859364348 0.02178786734047443 -0.0063250201871875925" pbc="T T T" energy=-934.43198514 free_energy=-934.43198514 config_type=crystal 
Hf       0.18274902       0.56041705      10.39185793      -1.29168064      -1.83005701       0.76652868 
Hf       5.18769003       0.63552505       9.87772003      -1.66101956      -1.36999931       2.56350586 
Hf       0.09630839       7.87220001       7.59020002       2.77014644       1.18271013      -0.38234237 
Hf       8.10101995       2.38192000       5.03496003       0.98407457      -2.77113687       2.54940158 
Hf      10.25269997       5.32309998       0.08934824       0.22863092       1.56551943       0.09927482 
Hf       0.12160803       7.98435000       2.56037005      -2.06068081      -0.88935261       3.49348978 
Hf       2.46245998       5.42536000       2.52259998      -1.52992409       2.14226041       2.97396641 
Hf       7.69842004       4.74592995       2.61370995      -0.85809174       3.83470306      -0.88529340 
Hf       8.01491002       8.04671998      10.19739995      -1.33987304       1.66573938       1.73887433 
Hf       5.14741999       8.02489002       7.55337001      -0.15296588       0.59763392       3.78276305 
Hf       5.24309002       7.67875998       2.64333002       1.36182603      -1.21372827      -0.91550799 
Hf       5.18198996       5.28942998       0.07294825       1.83744420       0.93504283       0.41851267 
Hf       2.86471003       8.00067000       5.05751997      -5.86546067      -1.97865777      -0.46067909 
Hf      10.21759998       5.12729000       5.73373997       1.98140586       3.04224659      -5.79438694 
Hf       5.04435997       5.19361005       5.26019003      -1.42502218       2.10713601      -0.95777334 
Hf       2.72306999       5.69286004       8.20243004      -2.05697249      -2.13807229      -3.08798910 
Hf       2.17238997       7.97303004       0.13391296       3.17820096       1.95139249      -1.07170212 
Hf       2.76471004       0.19560103       7.57089996      -1.81667031       0.49149525       1.83727284 
Hf       5.47447997       2.38350995       2.51505003      -3.40839015      -1.52681047      -2.34684864 
Hf       0.02054831       2.99347000       7.54192999       3.35319500      -6.34774863       1.14577049 
Hf       0.12226597      10.38849997       5.09994002       0.61949771       0.13596506       1.47034603 
Hf       7.71356999       5.24835000       8.00158997      -0.34586199       0.92804788       1.12136048 
Hf       7.93700004       0.03844832       7.75306997      -0.62951566       0.60134509       0.77800032 
Hf       7.91188004       2.62385995      10.20830002       2.79964461      -2.99145839       2.16840204 
Hf       7.64072003       7.49395998       5.27977996       2.39950307       0.97286399      -2.80074451 
Hf       2.79448996       2.54636996       4.85161997      -4.46470167       0.28423185      -2.90329636 
Hf       5.00280995       2.92135995       7.41660001      -1.90063021       0.01225566       5.00099263 
Hf       5.27866004      10.22289995       4.99352004       0.69705855       0.49311868       2.20141191 
Hf       2.39348000       3.13844005      10.37200001       1.05781284      -2.74341616      -0.12299872 
Hf       2.50423999      10.39390001       2.50505004       3.98555452       0.78792999      -2.65156865 
Hf       0.22558404       2.55775995       2.96263999      -2.95540817       1.59233132      -4.91769619 
Hf       7.61635000      10.11150002       2.48367995       0.72149916      -0.36189460      -1.22688263 
O       3.86852002       4.22174003       9.02312001       2.64952087       1.13026483       1.16618587 
O       0.94161598       9.05808998       9.30460004       1.73053098       1.85123185       0.73447311 
O       9.07671995       6.63438002       6.89000004      -0.18389079      -2.17312311      -1.07994771 
O       8.70766997       5.84569001       3.95595996       2.18837960      -0.48933659       3.24836482 
O       7.38034996       2.86957995       3.27476001      -0.06135475       0.63325235       0.52441980 
O       4.05166998       2.02521002       6.06096001       3.34522363      -3.44164322       2.30322907 
O       3.71015999       8.66632995       3.52033995       1.85853565       4.21897169       1.51518277 
O       9.17069001       8.88884998       8.56782998      -2.75954387       0.17307803      -0.37535034 
O       1.71756003       3.77540000       3.39885995       1.39598385      -0.94476186       1.35362633 
O       9.55714002       3.66251000       9.06614996      -3.13107051       2.29225491       2.42173229 
O       1.13071003       6.67220002       9.25688996      -0.85942390      -1.28087371      -1.18897883 
O       3.64015996       7.03224002       9.24907997       0.57119570       0.48155279       1.15187424 
O       3.26419996       4.60387003       0.98667105       3.37028887      -0.76377657      -2.04511431 
O       6.61705002       9.02201004       6.60244999       0.06120627      -0.33426970       0.34750164 
O       8.78382995       4.15185003       1.08834002      -0.15086004       0.84064972      -0.35795230 
O       6.88069002       1.10422998       6.06722003      -0.86287682      -0.85748885       0.02444946 
O       1.01418004       6.65599005       3.76397997       0.12935845      -0.26073399       0.67878605 
O       9.59991003       1.73173002       1.30353998       0.01533236       0.37474103      -0.21095504 
O       0.88359898       9.54120002       1.67816996      -0.53851638      -0.69650554      -5.16504457 
O       5.84500003       0.68689604       3.52815004       7.26108602       0.70873239      -2.77224554 
O       0.88462604       4.07535004       1.08440001       0.57725837      -1.89072829       0.21018394 
O       8.88366998       3.92295001       6.57178999      -2.20307981       0.97508646       1.68613759 
O       6.57022003       6.35811004       6.66538004      -0.99742258       0.75081816      -1.33632875 
O       8.83733996       6.23724999       9.40757003      -1.26241952       0.35318946      -0.98144486 
O       8.72251005       8.66386997       3.29077005       1.27912726      -0.35883419      -0.48921888 
O       3.69324998       4.59842999       6.57378998       0.60849955      -1.61356535       0.08159121 
O       3.45916996       7.06060000       2.01923003       1.94388596      -0.11751504      -3.86756027 
O       6.12890005       4.11801003       1.48250005      -1.79474817      -1.45076342      -0.53676640 
O       3.53895003       6.18596002       4.17906005       1.11396656      -1.18241729       0.46549864 
O       6.46068004       6.51385998       1.33330001      -0.56686564      -1.27271571      -2.32641325 
O       6.78793001       3.95974002       9.40894004      -1.44066576       2.96247165      -1.37675050 
O       1.78956005       0.97946603       6.08701996      -0.04759565       0.47211598      -1.40778683 
O       1.41418995       6.56257000       1.23528997      -3.18710700       0.21053499      -0.89788510 
O       9.49428995       1.20426001       6.50858001      -0.21663791       0.47289929       0.97489065 
O       9.08950005       0.74462495       4.04599996      -1.44816772       1.65797613      -1.06646124 
O       6.45470004       1.68385004       8.56803998       0.28370623      -0.73737202       0.41576159 
O       6.49599002       6.31410004       3.64763004      -2.14152393      -0.52337135       3.50274135 
O       1.31983005       6.24684998       6.51345004      -1.53650403      -0.09054304       1.37238201 
O       9.81101997       3.31368004       4.59073997      -0.22929676       0.60818084      -2.56865798 
O       6.29592995       8.91108999       1.65266997       1.49851084       1.82205709      -1.26944063 
O       1.64798000       1.33021004       1.00971996       0.56290806       1.61169025      -0.44041805 
O       6.44657003       8.83095996       4.22443995      -1.13982012      -0.70097551      -0.11556869 
O       6.68029004       9.56735995       9.19695001       0.84117117      -0.14894932      -0.19966872 
O       4.07983996       1.70476004       1.01298999       1.39815558       1.97156630      -0.68084452 
O       4.17600996       9.57685997       8.88960999      -0.33463427       0.58247877      -2.12806769 
O       1.21915997       1.21881995       3.70381003       1.74903113      -0.09597636       1.27871539 
O       6.19748997       3.92243998       6.40429999       3.57027439       0.71007813      -1.67130469 
O       9.47342999       8.78454997       5.60553001      -0.25884386      -0.52306489       2.17255966 
O       3.91424004       0.99451202       3.57645001      -5.07141963       2.08426754       2.00051469 
O       3.71438003       1.87608997       8.77999001       0.91559361      -2.88017976      -0.08700038 
O       9.11093996       1.12047995       9.22871999      -2.43111774       0.78474747      -1.43807631 
O       3.83232996       9.52113001       1.06172995      -2.80188887      -0.14261214      -0.36457978 
O       6.20479999       6.62811005       9.20192996       0.41436993      -0.00118799      -1.47733478 
O       1.67799001       8.99956003       6.49963995      -4.09568137      -0.77092708       2.08697250 
O       3.84664002       6.99569999       6.37274996       3.37362671      -0.97416133       3.49950622 
O       3.80465996       9.37034997       6.33178995       4.04627596       1.83843100      -0.90392674 
O       1.47165002       3.92342998       8.79120999       0.24808193       3.68149880      -0.09853072 
O       1.36921005       9.41622001       3.80236998      -0.37686727      -2.67795435       3.40459581 
O       4.64525004       3.73700005       3.91584004      -0.47190327      -0.72505075       0.28143878 
O       6.59919995       1.29485002       1.01927001       1.12599119       1.08745310      -1.20623439 
O       9.44579998       7.16042003       1.27451997      -1.86649937      -1.83295747      -3.65110683 
O       1.22743005       3.50894001       5.97581004      -0.61059865       1.54942243       1.18519972 
O       8.53825001       9.92464004       0.65072001       1.13673867      -2.39309062       0.32268259 
O       1.20637003       1.69711001       8.56933995      -0.39759459      -3.70590371       1.78760397 
96
Lattice="10.46910709 0.0 0.0 0.0 10.46910709 0.0 0.0 0.0 10.46910709" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.038414580153633957 0.00450674197604669 -0.008251850250691164 0.00450674197604669 -0.020431004356845 -0.0005806295435365275 -0.008251850250691164 -0.0005806295435365275 -0.03068450634078807" pbc="T T T" energy=-927.14545743 free_energy=-927.14545743 config_type=crystal 
Hf      10.44719996       0.14728505      10.25860004      -0.53789143       0.05141890      -1.52635226 
Hf       5.33987999       0.17702004       0.28503798       0.07273151      -3.25511699      -1.46015347 
Hf       0.19842800       7.93629999       7.34324005      -0.69055473       1.32944644      -0.44140698 
Hf       7.65296000       2.55610002       5.17005997       0.86096904       1.30049424       0.10225522 
Hf      10.34490003       5.77843004      10.05769997       3.08048825      -0.25139991       1.39528185 
Hf      10.14110002       8.06491004       2.13418998      -0.73278086       1.09877141       3.76223957 
Hf       2.11812001       5.17227000       2.43158999       3.14536291      -0.29165995      -3.33919694 
Hf       7.89232995       5.51282995       2.13819996      -0.49957717      -0.23140611       4.69334923 
Hf       7.59087997       7.93562997      10.21680004      -3.42526165       3.14983212      -2.09619942 
Hf       5.39568996       7.83110002       7.87431000      -7.25589774       1.43709679      -1.30530440 
Hf       5.23115004       7.53364997       2.57893995      -2.40129045       2.25003464      -0.54263674 
Hf       5.12526005       4.86695995       0.43723995      -3.30119906       3.95943073      -4.45141970 
Hf       2.39188004       7.70942000       4.85603000       0.79573598       1.23564455      -3.37147634 
Hf      10.37239997       5.29902995       5.20623995      -0.69503154       2.05176884      -5.38190712 
Hf       5.49301005       5.22017998       5.31240005       0.20538066       1.39463601      -3.36566047 
Hf       3.20526998       5.17762997       7.60680997      -1.18347783       1.06771873       3.30329390 
Hf       2.74280995       7.62250997      10.36730005       2.72200270       1.34554392       0.29661508 
Hf       2.67832004       0.14921200       7.85576995       0.94232276      -3.98769828       1.02792053 
Hf       4.82777000       2.32743996       2.66442000       0.73081329       1.17202752       0.01394864 
Hf       0.32169901       2.48592005       7.52046999       0.13211303       0.64859645       0.27439892 
Hf       9.99252999       0.13082605       5.05630998       2.16467438      -1.36710708      -1.63807107 
Hf       7.78433996       5.51416999       7.97106999      -2.39948974       0.95008660      -1.36352487 
Hf       8.01184005       0.13481498       7.80070998      -2.56975380      -0.53823440      -0.64185498 
Hf       8.36636003       3.11764000       9.95049998      -2.93336894      -2.70278431       0.89471566 
Hf       7.71878001       7.84356998       5.19582005      -1.11459179       1.14621990      -1.68202592 
Hf       2.88852998       2.51214003       5.33269996       0.55381305      -1.38876836       0.69778099 
Hf       5.00291000       2.44992998       8.44538001       3.28350866      -2.96005550      -3.01203750 
Hf       5.22480000      10.43740004       5.20399003      -2.00314983       3.02811013       1.92985257 
Hf       2.14035000       2.95089005      10.28939995       0.48789248      -3.65475157      -1.29244662 
Hf       2.34835996       0.05076051       2.21366003       0.50187097      -1.77259248       1.70502797 
Hf       0.22017296       2.62077000       2.80114005      -1.93696406      -1.38594417      -1.42970657 
Hf       7.85986996       0.39698498       2.40136997       0.44809673       5.03878484      -3.07292439 
O       3.88644998       0.81225803       9.41311003       2.42429889       2.48194597      -0.50721563 
O       0.37597799       9.54614004       8.52559001      -0.40288608      -0.73864989       0.20650843 
O       1.04734005       6.04189999       6.69847004       2.72904384       3.38701618       0.29094454 
O       9.31865000       6.88498996       5.68277999       1.71029610      -0.50362899       5.00450290 
O       4.28362005       3.57209001       4.26097998       0.29457014       0.23168964       1.39719694 
O       4.10542004       1.22117999       6.90463995      -0.18235526       4.27050527      -0.89708881 
O       3.60796995       8.56487000       3.34837996      -3.64384166       1.76827691       1.64372295 
O       8.33402001       9.58180001       9.39296998       2.45350905      -0.02512842       2.58081481 
O       9.60825000       4.16868004       3.39832001       1.94756007       2.00960889       0.33566028 
O       9.21597005       4.75871996       8.97307996       0.58510618      -3.30297055       0.97904604 
O       1.70502003       6.53162995       9.17618995      -2.73931218      -0.69265210      -0.24405750 
O       4.40340004       6.26030001       9.31732995      -2.30956108      -0.22223288      -1.88956237 
O       3.65889001       3.94550998       1.58386996      -0.84248235      -1.61479153      -0.57906898 
O       6.75520998       1.09230999       6.26739995      -1.43688675      -1.36638708       2.01916936 
O       8.94724995       4.39196002       0.89835795       0.89286698       1.63189359      -1.06659100 
O       8.24188004       3.95078997       7.04107000      -3.81321210      -2.72902721      -1.67944983 
O       1.65939996       5.81318999       4.08263005      -0.62709076       2.26796593       3.97789649 
O       8.89003000       1.95024997       1.03500001       0.55076024      -1.07728202       0.26850218 
O       1.79847995       9.14759003       0.76676096      -2.63168503       0.91329507       1.88359761 
O       6.21649999       1.47783004       4.05738003       0.52920260       0.98343232      -2.32667962 
O       1.18877004       3.70379997       1.22104996      -2.30313688       3.02997966       3.37947446 
O      10.28840004       4.02055002       6.43261000       0.36145385      -4.41859156       1.35690462 
O       7.01165003       8.52037996       7.42396995       7.24711223       4.19896425      -6.31758522 
O       9.41049998       7.08210995       8.90590001      -0.75761998       1.25784714      -0.91774421 
O       8.91372996       6.98231004       3.57596997       0.66243595      -0.15450568      -3.78151871 
O       4.96750002       4.03731996       6.92327998      -0.99771659      -0.23301257       0.01561202 
O       3.67048004       6.44395998       1.20374997       0.23291052      -2.11203040       3.17668405 
O       6.12804996       4.06104997       1.67095000       3.97259604      -1.76377538       4.63806133 
O       4.26039999       6.49265001       4.04062004      -0.97317337      -2.26355519       1.48886448 
O       6.37110002       6.36147995       1.05276995       0.41286732       2.03223907      -0.81522278 
O       3.64511999       3.58151001       9.13765997       0.41548071       1.80688847       1.44238577 
O       1.46547001       1.11157001       6.53969996      -1.85210402       2.87297868      -1.05109273 
O       0.92435704       6.61684001       1.66981002       0.49446933      -1.80128383      -2.72625963 
O       9.00217999       1.41045003       6.30570003       3.54287228       0.13400598       0.83476030 
O       8.39776002       9.70922998       3.70510002       3.07968833      -1.98654409       5.44187373 
O       6.48681998       4.31052000       9.25279000       0.56625772      -1.56230541       0.77804635 
O       6.59391999       6.53283003       3.51093996       1.01840031       0.01507051       1.81325579 
O       4.21418003       6.54805996       6.58815999      -2.13984998      -0.56340040      -0.90365703 
O       8.99707002       1.90913004       3.70419999      -0.34072371      -2.42031385       1.75416877 
O       6.78134998       9.50706996       1.71049004       0.00419175      -1.78233968      -2.27093597 
O       1.18804003       1.26966002       1.03265001      -0.13084273       0.93952556       1.79677018 
O       6.02259998       9.03203003       4.39570001       1.89837092      -3.37497733      -1.17576287 
O       5.95382004       9.25857000       9.11109001      -1.32047310       2.45849515       4.90222572 
O       3.76393001       1.16903996       1.40955000      -0.23718598      -0.04736092      -0.05261766 
O       2.80565998       8.94067001       8.98102004       1.41029778       0.18433236      -2.63562421 
O       1.20617001       0.82098801       3.75435005      -3.32155723      -0.34615613      -0.67970846 
O       7.35108005       4.48302000       4.51382001      -2.01708894      -1.90787584       0.93926833 
O       9.23907003       9.28286000       6.37324001      -1.05884484       0.01280444       0.24470414 
O       3.54398004       0.82840401       3.93267998       2.34514498       1.35980476       1.25990944 
O       6.77917000       1.48122999       9.21861004      -0.97593149       0.86485519      -0.84303251 
O       9.39579999       1.54242004       9.04268005       0.91219167       1.06869981      -2.02560286 
O       4.66496000       8.87209998       1.01858005      -1.66825573       0.56181545      -0.95852645 
O       6.58669002       6.89006999       8.92422001       4.83387182      -3.94712764       4.21027654 
O       1.25382005       9.40912005       5.87290002       1.49361013      -3.96389376       1.02133443 
O       6.73846004       6.49165995       6.40350996      -0.66702399      -1.77050158      -1.20177091 
O       4.60965003       9.47468995       6.82546000      -1.81979006      -1.22502589      -0.96849343 
O       1.11336996       4.21592000       9.06185997      -0.48704282      -2.34277619       1.72824430 
O       0.68201197       8.35413996       3.71826000       2.29976459       0.30628586       1.21709609 
O       1.64145999       3.22168000       4.04243004      -0.27110966       1.67296113      -0.90195161 
O       6.17273996       1.74948997       1.32126999       0.68961428      -2.13761519       0.28107253 
O       8.79514994       7.07466003       1.00514996       1.25446479      -1.68240386      -0.61247550 
O       2.05567995       3.60821000       6.96130996       2.84811310      -1.20150547      -1.80357444 
O       9.65423001       9.96873999       1.52310003      -0.15635895      -1.10057584      -0.09307356 
O       1.52096999       1.10966997       9.21919998      -0.43574700       3.79087746      -1.06498580 
96
Lattice="10.46984823 0.0 0.0 0.0 10.46984823 0.0 0.0 0.0 10.46984823" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02028165844398271 0.006864944062476735 0.013758510425019929 0.006864944062476735 -0.019088922071980347 -0.012860224361351511 0.013758510425019929 -0.012860224361351511 -0.026723438960569314" pbc="T T T" energy=-932.00988126 free_energy=-932.00988126 config_type=crystal 
Hf       0.07863537       0.19689502      10.29029997      -1.36590783       2.05393991      -2.12555416 
Hf       4.99002002       0.08324042      10.28119999       2.63940175       1.51590112       0.56638450 
Hf       0.08934257       7.84076998       7.47517000      -4.10398546       0.73697152       0.87895416 
Hf       7.60099999       2.87234004       4.85547001       1.37433516      -2.86275945       3.61806108 
Hf      10.26390003       5.33212996      10.44030001       0.01970275      -2.02824180       2.62502662 
Hf       0.38590897       7.98691001       1.96083003      -4.28598346      -0.80836715       6.78412720 
Hf       3.00428002       5.02915998       2.23921000      -2.68675262       1.03925128       2.65662916 
Hf       7.94697999       5.90428004       2.88501997      -2.14995232      -3.61754996      -4.23347901 
Hf       7.86268997       8.01441001      10.41500005       0.42955752       2.75570773      -0.01215763 
Hf       4.87518997       8.06718998       7.46137995      -0.16275014      -4.49486256       2.23016241 
Hf       5.17149997       7.78758996       2.32430003      -0.99107803      -0.09143258       1.78963614 
Hf       5.70995003       5.22296001       0.20949203      -4.03459048      -1.42327149      -6.38201596 
Hf       2.47064997       7.83155997       5.07720004       0.42459257      -0.07777115      -1.25336774 
Hf       0.02900137       5.20147996       5.13579999       2.78886054      -1.07794255       2.22402746 
Hf       5.37285002       5.00403004       4.85728999       0.76597262       3.68549274       1.50351794 
Hf       2.42924005       5.20309996       8.12017997       1.65954093      -1.81227733      -2.40653419 
Hf       2.43373999       8.03187999      10.43159999       5.12544549      -5.10117048      -4.45532667 
Hf       2.27199999       0.05261580       7.85165004      -3.45933933       1.49849859      -0.81001818 
Hf       5.34014996       2.22539001       2.35684000      -1.10083258       3.75778004       2.60756164 
Hf      10.29150002       2.70241001       7.60269998      -0.45599245      -0.80584829      -1.54361901 
Hf      10.36629997       0.15961996       5.23104001       0.26256302       1.02234809      -1.62381382 
Hf       7.84966003       5.34193999       7.70182002      -4.50451763      -1.09817818      -0.20121305 
Hf       7.62820997      10.41050000       7.93776004       1.12504109       1.31650900       0.26160199 
Hf       8.21260004       2.86983000       0.01091963      -5.04919371      -2.23037439       0.50180759 
Hf       7.52449000       8.07649003       5.21004001      -1.11720298      -0.14313279       0.83279627 
Hf       2.75520998       2.49047997       4.99617996       0.64498999       1.83908104      -0.38118845 
Hf       5.30663001       2.47054004       7.87125996       3.60181853       3.31812083      -0.32799066 
Hf       5.01537004       0.14091997       5.32519002       2.11495031       1.42754206      -0.91958560 
Hf       2.60057995       2.68121003      10.42500001      -0.67339640      -0.57836414      -0.02476131 
Hf       2.52373995      10.09900003       2.35644005       0.59973774       6.49176936       5.42859137 
Hf      10.32130003       2.50739003       2.61741997       2.08132936       1.74920521       2.85663561 
Hf       7.82035001       0.01735869       2.31037000       0.14647116      -1.39895235       3.09682439 
O       4.12086002       1.67246999       9.23253005       0.43671587      -3.13182889       1.62734976 
O       3.35448996       9.78472000       9.45296998      -1.43016080      -1.82357346       0.13973496 
O       4.18312002       7.09148001       5.86847997      -2.07252726       0.05012916       0.02923222 
O       9.10253002       6.46847001       6.76673997       3.77630953       1.68016723      -0.22762536 
O       3.93445997       4.35852997       5.70974000      -4.34990616      -1.78534403       1.23044495 
O       4.28299002       1.83467998       6.36926998      -2.45345133      -1.83745322      -1.82938814 
O       3.76855999       9.03740003       3.83068001       0.43340286      -2.73098928       0.26525761 
O       0.37293704       9.47072004       8.52671999       4.79922430       1.78437821       1.35792645 
O       9.55203003       3.58326996       4.31053001      -1.39945750       0.81454380      -1.52268718 
O       9.07634001       3.98477000       9.33293997       4.12192740       2.80001528      -1.86939131 
O       1.28868001       6.78793995       6.52706996       1.90458801      -1.18719519      -0.26157693 
O       2.89032002       7.19993004       8.62481996      -1.25637147       0.36596399       0.24768545 
O       3.88238996       3.31257004       3.27943004      -0.93132888       1.66655333       0.43757717 
O       6.63840999       1.40315000       6.44101995       0.81804179      -2.79938075       2.22650296 
O       9.14898998       4.39002003       1.64219004      -0.32819237       0.39604620      -0.88904150 
O       6.69305004       4.01945001       8.93398997      -1.03184217      -1.18583165       0.89496069 
O       1.48853999       6.39403002       4.07685001      -0.50111574       0.92260569       0.46709042 
O       9.57641996       1.78461997       0.98977705      -1.23381005       0.30093037      -1.70948317 
O       1.30800997       9.18889999       0.93043500       0.00880159       2.14600760      -2.76295667 
O       6.13556004       1.52119001       4.00990999       2.05137330       0.88672657       0.68154063 
O       1.31487997       3.93363003       1.35205003      -0.49653011      -1.95870224       0.83181376 
O       8.74607001       3.89426005       6.73757003       2.08810197      -0.97085546      -0.25517766 
O       5.95304001       9.05805003       6.21539996       1.35564056       0.40627758      -1.21136748 
O       5.17452000       6.24094995       8.98660001       1.48130743       1.09689965      -0.89812680 
O       9.01638998       6.30681001       4.29923001       0.55701025       2.17558965       0.78392259 
O       3.68842995       3.60760995       8.33525002      -2.13110477       3.49936318       0.44964734 
O       4.10585997       6.37084998       0.74083798      -2.01689474       3.64190574       2.16260817 
O       6.57015998       3.66611002       1.03411005       0.47681281      -2.47666259       0.73324236 
O       4.27032004       6.13295996       3.29934998      -0.90562998      -0.20837093      -0.70480230 
O       6.72085000       6.44677000       1.18980004       1.57710850       2.66580844       2.57157297 
O       0.25765197       7.12165003       9.88605996       2.44272918       1.33628034      -1.79252917 
O       1.59404005       1.69924998       6.62133001      -0.47529068      -1.21560705      -1.12740449 
O       1.41726001       6.43170001       1.66394000       1.59559587       0.29409947      -2.56944511 
O       9.30611999       1.56516002       6.06140996       0.59714771      -0.23066920       1.56358789 
O       9.09917004       9.23296004       4.86247005       0.64846871      -0.35091021      -2.99138076 
O       3.80948998       4.12449997       0.84077603       2.37286883      -3.30047477      -3.58703582 
O       6.23520001       6.97566003       3.88700999       3.84569476      -1.31128353      -1.06449641 
O       6.53606995       6.30128004       6.40359998       0.65412852       1.29144360      -0.27933620 
O       8.70738005       1.41047000       3.48251997       0.10678738      -0.30043494      -1.03436602 
O       6.46490000       8.97651996       1.11337999      -0.35484966       0.17085599      -0.19947279 
O       1.52696999       0.97891301       1.15992999       0.15123396       2.45574936      -0.43538874 
O       6.61387998       9.37351995       3.74828000       1.11247091       0.60554184      -1.19477771 
O       8.94643003       9.63599999       9.56716001      -4.61989091      -3.27351171       1.10801603 
O       3.97001998       1.36220002       1.26133005      -0.88622495      -1.46254027      -1.87506345 
O       6.16872004       9.14670996       8.78661000      -0.24276330      -0.00174751       1.15559356 
O       0.95996897       1.20378001       3.88218004       0.81821878       1.48288944      -0.84456205 
O       6.75629996       4.07080001       3.48165003       0.46922736       1.83051876       0.47147587 
O       8.23794001       8.86017995       6.89162003       1.74744574       0.24375158       3.15125414 
O       3.99218004       0.82427597       3.83743003      -4.04369835       1.65102967      -1.11168355 
O       6.76080001       1.03882002       9.45335003      -1.89159630       1.33949040      -0.47035171 
O       9.30764995       1.31083997       8.81414004      -0.41791806       1.76518162      -0.05200987 
O       3.62604002       9.03176997       1.32119999       4.04451296      -2.72739740      -2.18920384 
O       8.34755995       6.51566997       9.42819005       0.16670396      -2.43615163      -1.50917011 
O       1.07947004       9.38801002       6.25493002       1.19388734      -1.28966522       0.20172991 
O       6.37740003       3.84467998       6.25251997      -0.03278180      -0.49770459      -1.46139674 
O       3.62854001       9.61480002       6.84287000       1.48262000      -0.51064202      -1.59135962 
O       1.25927000       4.24130003       9.42899005       0.47966188       1.15802075       0.40112283 
O       1.23302000       9.18960000       3.52531998      -1.06609583      -2.26276533      -0.41761927 
O       1.43568998       3.90073000       4.53379000       1.01293822      -0.95682466      -1.37099284 
O       6.46513003       1.02037005       1.41111002       1.74006785      -1.50491859      -2.05940207 
O       9.18437000       7.14021998       1.43279004      -2.50826799      -0.61224345       0.77843766 
O       0.98183797       4.31954005       6.94976998      -0.40972110       0.70061140       0.36411160 
O       9.65130995       9.95840002       1.44316001      -2.68017084      -2.50260840       2.80841692 
O       1.39483998       1.52585998       8.98387995      -0.06401810       0.66129041       2.46649590 
96
Lattice="10.47066435 0.0 0.0 0.0 10.47066435 0.0 0.0 0.0 10.47066435" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.024064711361690094 0.0031264479989096595 0.02195635770944836 0.0031264479989096595 -0.003854914464371643 0.011578540667218805 0.02195635770944836 0.011578540667218805 -0.0035876118558826" pbc="T T T" energy=-924.06444876 free_energy=-924.06444876 config_type=crystal 
Hf      10.38400002       0.29356403      10.25739995      -1.24939831       3.74852087      -2.70948828 
Hf       4.97277995       0.07836790       0.03282585       0.98723295       1.17476600      -0.49091755 
Hf       0.33432999       8.23467000       7.77442001      -1.60802257      -0.83233202      -1.11365386 
Hf       7.33397005       2.55820004       4.74475003       0.85290879      -1.82801446       3.58553776 
Hf       0.16619897       5.74464005      10.27349996       0.65803751      -3.09676008      -3.65810862 
Hf      10.26949996       7.97643001       2.13923002       4.66464635      -0.13936464      -1.30534001 
Hf       2.26028996       5.44048003       2.17244998       1.72168349       1.24354673      -0.56200537 
Hf       7.94508995       5.54588004       2.77402996      -0.80230730      -2.37072656      -5.62747076 
Hf       7.87477002       8.26875002       0.18157797      -4.64144106       1.92092008      -0.10155660 
Hf       5.53517001       7.47096005       8.06604005      -3.99136393       2.07291839      -1.43342747 
Hf       5.39325000       7.84275000       2.33876005      -2.69352950      -1.73319367      -2.94495341 
Hf       5.44953998       5.08597998       0.10811202      -0.21393946      -2.27978274      -0.18189189 
Hf       2.18310996       7.69254999       4.79236999       0.38738947       0.84826550       0.34733335 
Hf      10.35140003       4.68415996       5.23681995       0.19717046       1.99837241      -0.22509900 
Hf       4.88218996       5.51592996       4.55900003      -2.00801085      -2.68290862       4.70881842 
Hf       2.54905999       5.59664004       7.48728005       1.95433587      -2.31820037       0.66410028 
Hf       2.51293002       8.48350000      10.26620002       2.39375722      -1.50322959       2.54497636 
Hf       2.56159997       0.23216698       7.77473999       1.67537615      -0.12097922      -0.43082956 
Hf       5.23429003       2.62449003       2.56415000      -1.42928603       0.01969053      -4.10617740 
Hf       0.16618703       2.91721002       7.67644004       0.63974789      -2.14053973       4.17788520 
Hf      10.31419996       0.35184301       5.04038003      -0.03630544       1.58027142       3.45778045 
Hf       7.87509995       4.68860005       8.00148998      -3.06507828       0.90868971       1.13456870 
Hf       7.84508998       9.88975001       7.27226998       1.28396421      -0.85137915       2.00434641 
Hf       7.63339995       1.72477998       9.90409000      -0.11499168       2.51880787       3.12427010 
Hf       7.74687996       7.14028998       5.62566001       1.79729615       1.47290630       1.11238289 
Hf       2.77980003       3.10581003       4.77076000       2.63658348       0.99356231       1.70587437 
Hf       5.32333999       2.76275997       8.00118999      -2.40232612       1.85504757      -2.55036497 
Hf       5.37114999      10.07249996       5.13909996      -2.01916883       3.20359358       1.48323958 
Hf       2.64212996       2.23043003       0.20602802       2.51124381       1.79373042      -2.24348820 
Hf       2.18989997       0.23942902       2.91055999       0.50006389      -2.13657307      -1.26997845 
Hf      10.30819995       2.78513002       2.37532005       4.18797313      -4.61139360      -4.78354873 
Hf       8.04167000       9.86354005       2.86051001      -0.32082295       5.31026291       1.61299563 
O       3.95184002       1.85659999       8.91851998      -2.90558656       0.73788392       0.22267577 
O       3.06751002       0.18214098       9.70215005       1.52766474      -3.80940272       5.15923639 
O       3.99284995       6.92409998       6.49722000       0.05016417      -0.52802305      -0.53751295 
O       8.76607004       7.55942000       7.46867996      -1.08913222       1.40829608      -1.98344546 
O       3.05016997       5.06987003       5.25313000      -1.02361206       0.13318104       0.30703691 
O       4.80034999       3.62656999       6.29726999      -2.25399028       0.17427562      -1.94474032 
O       3.36264998       9.46705002       3.78504004       3.04476793      -1.30625795       4.19816900 
O       1.34830996       9.50026998       9.03942997      -4.59529939       0.14506431       0.33814924 
O       9.03930998       3.58852001       3.23932001      -7.55160993       3.78961426       6.17429042 
O       9.37414999       4.26819000       9.22715998      -1.08994903      -0.00614403       0.86628622 
O       0.91051505       6.47020997       5.82775001       0.27679819      -0.24962523       1.75519046 
O       3.71042996       8.02346005       8.82374005       2.10892132      -0.70943519      -0.40661413 
O       3.67134004       4.20182996       2.92040001       1.11697099      -2.55735019       3.10182532 
O       7.07294005       0.74765496       6.10040004      -1.63553744       1.50813661      -1.35817759 
O       9.74111997       5.39010001       1.53961005      -1.07411328       1.55816053       0.70479911 
O       6.47699999       3.52015998       9.31948004       3.10859646       0.69481498       1.34285717 
O       0.79694404       7.11780004       3.40508005       2.37889408      -1.62003905       1.48541240 
O       9.01926002       1.80306997       0.96776298       1.71464265       0.70540952      -0.15029050 
O       2.15717004       9.03108998       1.82118998      -3.62694131       0.67734364      -2.11979672 
O       6.72057005       1.07059004       3.47466997      -0.04469578       2.24972159       0.69243634 
O       1.74224996       4.16617997       0.70176403      -1.87645812      -0.78581320       0.97661386 
O       9.36939998       5.24301000       6.91452005       1.29028871      -1.56470993      -2.93035200 
O       6.20727997       8.54059004       6.28376001       0.90207899      -0.41950959       1.38569881 
O       6.46117002       6.06281998       8.90231003       1.28498256      -1.28304850       1.11952131 
O       8.98801001       6.25710002       4.26692001       0.49458057      -1.17904560       1.35393105 
O       4.08212996       4.51945997       8.73250999      -0.90380452       2.45585736      -1.14262240 
O       4.24945997       6.22670002       1.19465998      -0.67289788       0.37660781       0.79304755 
O       6.79259995       4.07645004       1.35866995      -0.21631644       1.03080715       2.42484616 
O       3.57190998       6.78306997       3.51429002       1.53826111       1.13834774       0.23372521 
O       6.72135996       6.59963995       1.01803997       0.49833107       1.80393737       1.70865784 
O       1.54207997       6.98455005       9.07366999      -2.02027246      -0.74401893      -2.65640205 
O       1.22313997       1.10278995       6.66488004       0.24692379       0.42304174      -1.29127635 
O       1.59495997       6.90492997       0.92556003      -2.55412180      -0.32209058       0.21468913 
O       9.77434999       2.37142999       5.87496998      -2.50566914       1.54547857      -1.95142866 
O       8.35591998       9.27577004       5.32700996       2.57325898       0.12748971      -1.90975638 
O       4.22095997       3.51332996       0.63888999      -0.84703482      -0.46038492       1.01148545 
O       6.43926005       6.43685002       3.74846999      -0.18879885       2.30937190      -0.44505095 
O       6.63306001       5.75156001       6.33261005      -0.46539066       0.79557752      -0.26417167 
O       9.50094000       0.98819397       3.28746998      -0.67931502      -0.17344848       1.79606143 
O       7.15167002       9.88454001       1.19814001      -3.14229607       1.21781162       0.16956955 
O       1.18792996       1.27011996       1.33832001      -1.46301026       0.24884681      -0.67104776 
O       6.34604004       9.11230999       3.65772995      -1.98099111      -1.59330421      -0.20205452 
O       8.35167999       9.89678001       9.53328001       1.38150914       1.15185707      -1.23930117 
O       3.64094998       0.93316697       1.80857995       1.60260492       2.28069486      -1.24993586 
O       6.09694995       8.68881004       9.66383998       0.44232299      -0.09733000      -2.29854121 
O       1.37907005       1.70643998       4.11485005      -0.51996646       1.03403686      -0.59849702 
O       6.13041995       3.90938996       3.92972996       1.94185889      -0.09698863       0.47920461 
O       9.82283000      10.08069995       7.44045000       0.26855284      -1.23802197      -1.84397650 
O       4.43958996       1.79946000       4.65458997      -1.06376974      -0.62807014      -1.98603817 
O       6.15249002       1.01243995       8.94756005       0.32398478      -3.12317365      -1.79894169 
O       9.20148999       1.63888001       8.80115001       1.30812660       0.48764610      -1.19718676 
O       4.33725000       8.84917999       0.93690102       1.61615318       0.04852091       1.19195800 
O       9.20648000       7.26325003       9.90208005       5.38047836      -2.64484328      -0.31265275 
O       1.86200002       8.74458999       6.64878998      -0.51152594       0.79056993      -1.10901267 
O       7.04948995       3.22733999       6.91799003       3.34936674      -0.50988945      -2.09233043 
O       4.32130003      10.18969999       6.91433996      -0.08062652       0.65527640      -1.62349739 
O       1.12282002       4.48632995       8.63031002       1.24203094       1.16564794      -0.84603158 
O       0.62032896       9.46125995       3.85874995      -0.37991910      -0.25626206       0.63408505 
O       0.94814902       4.60271003       3.44412997       0.01913258      -2.81903346       0.93329443 
O       5.76069996       1.85018000       0.83664304       2.01016150      -3.81919282      -0.30499535 
O       8.25302999       7.99087000       2.36219999       1.49866916      -3.26201786       0.31555949 
O       1.40351005       3.76809002       6.27391999       0.25840238       0.32571057      -0.64820957 
O       9.57174002       9.74054995       1.20945000       1.29759107      -2.43348682       1.76754756 
O       1.33594002       1.67532996       9.11391995      -1.58783871       1.02642836       0.33021791 
96
Lattice="10.47155921 0.0 0.0 0.0 10.47155921 0.0 0.0 0.0 10.47155921" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01603272534782952 0.0064777530237695 -0.001508564548141483 0.0064777530237695 -0.03146268253797753 0.01576828691794627 -0.001508564548141483 0.01576828691794627 -0.006401784526651359" pbc="T T T" energy=-928.04987325 free_energy=-928.04987325 config_type=crystal 
Hf      10.29480002       0.49295305      10.41890004      -1.96182641      -6.18739659      -0.79996981 
Hf       5.08426997      10.22020001      10.00720001       4.21290407       2.14306618      -1.51440166 
Hf       0.37883902       7.85842999       8.05325000      -3.94539907       3.21593410       0.75815746 
Hf       8.04594996       2.63782001       5.44185005      -3.20396424       1.71903272      -2.42064299 
Hf      10.06509998       5.57709002       0.06162031       1.68297977      -3.43298504       0.09132298 
Hf       0.24196004       8.49348000       2.63170001      -2.09560981      -3.88405417      -1.61909060 
Hf       2.24527005       5.24691998       2.46759005      -1.23331285       0.81806636       3.28864107 
Hf       7.34315000       4.91826999       2.56265997       1.18550068       1.54363382      -1.63862203 
Hf       7.75554996       7.59621000       0.24996502      -0.37277909       0.45902218      -1.05726293 
Hf       5.54263996       7.69084001       7.59655001      -0.18109266       0.22762061      -0.89883925 
Hf       4.83454003       7.85544004       2.33455004       0.89349775      -3.13488054       3.26633432 
Hf       4.86798001       4.82585000       0.03174663       2.10874192       5.00080526      -3.34857545 
Hf       2.71208996       7.55621000       5.31399001       0.37346369      -0.79838917      -3.44803562 
Hf      10.09660001       5.48972005       4.90524997       0.89673503      -2.35376222       2.60330561 
Hf       5.24105005       5.15699002       4.82057003      -3.25198635       2.53516389       2.68875743 
Hf       2.59717004       5.21186005       7.67375001       1.75380580      -1.90309486      -1.93527203 
Hf       3.08358999       7.68915001      10.02040004      -0.88214948      -0.32214600      -1.59176481 
Hf       2.42407004      10.41109999       7.40607004       2.57244728      -2.85749081       5.74932201 
Hf       5.06266002       2.34057003       2.47828999       6.45542436       2.13674796      -3.17323940 
Hf       0.19439905       2.84109999       7.83761996       1.76394106       3.78167621      -1.96993669 
Hf      10.34249997       0.47462803       5.01455001      -1.10617739       1.17438903       0.64051812 
Hf       7.85395999       5.56819004       7.82438004       0.66026270      -1.20326667       0.22191093 
Hf       8.01224997      10.42909997       7.35953004      -3.13918070      -1.92754219       3.02784244 
Hf       8.05371996       2.82950996      10.03639995      -4.15241073      -1.06689884      -1.30968853 
Hf       7.76160000       8.12388998       4.73260003      -0.89835308       0.32619296       0.57164315 
Hf       2.72045003       2.55293001       5.56354004      -1.88697703       4.01420758      -8.11093853 
Hf       5.20027002       2.60037999       7.59007000       2.30156312       0.63907637       1.14459495 
Hf       4.86212997      10.27139996       5.01867005       3.42781063       2.15992160      -0.51447010 
Hf       2.83852995       2.19406999      10.39789996      -1.13884844       0.42934125      -2.57185385 
Hf       2.27583004       0.27192702       2.49123001       0.88914251      -1.25059641       0.10128069 
Hf      10.46836821       2.75580003       2.42629996      -0.35033797       0.80490872      -3.10956902 
Hf       7.19388997      10.32689996       2.15118005       3.92486203       2.48082317      -0.28052359 
O       4.27043997       1.27338998       9.02224997      -0.61509441       0.64592049      -0.41031606 
O       4.03547996       9.12176004       8.73500997      -1.61033795      -2.38696243       1.18081134 
O       4.27524002       6.71164996       6.16560003      -1.54208543       0.45821776      -0.51290652 
O       9.40820002       6.11322003       6.70377995       0.28381305       4.15419409       1.86728855 
O       3.84226995       4.19707004       6.19187003       2.67559028       0.81072980       0.73827771 
O       3.93862997       1.58876999       6.50115999       1.31492630      -6.24382788       0.02812486 
O       3.56780002       9.02691997       3.79787002       0.06356536       1.51981758      -0.25762928 
O       1.38738002       9.59781995       9.28192998       1.07679221      -2.39557607      -3.22861987 
O       8.39095998       4.26987000       4.13884001      -0.52120686       1.42707862      -0.83037635 
O       8.80530000       3.41922995       1.15936004       2.93651557       4.43369995       3.75933874 
O       1.61256001       5.83907995       5.77062004      -0.50588662       0.80366489       1.59521245 
O       4.22922998       6.30857996       8.52703004      -1.08194333       0.39690996       3.52109698 
O       3.01754995       3.84572002       4.00342997       0.29444219      -0.30183994      -2.75873112 
O       6.43766004       1.33109005       6.19080999       1.83681122      -1.44460647       2.25915208 
O       0.77498701       6.56348001       1.16770001       1.08403681       1.45214091       1.01868587 
O       6.63291996       3.91922000       8.24058996       0.61089263       0.17082618       0.00671540 
O       1.76060000       7.16048004       3.43411999      -2.87443872       1.11131207      -0.65567473 
O       9.03808003       1.31692004       1.33106000       0.36837195      -2.96647703      -0.12196558 
O       1.14022997       9.55519003       1.08271001       0.29568872      -0.93974219       4.44669835 
O       5.60497998       4.12883998       3.11553002       0.20939651       0.37284254      -2.04654374 
O       1.36129997       3.77279000       1.17380995       1.00031236       0.53294719      -0.58169904 
O       9.08649005       4.42688003       9.11864999      -2.42578542      -1.15107126      -0.26382540 
O       6.51031004       8.91229001       6.14281004       0.17588092       3.01873394      -1.26765697 
O       8.61080000       6.11640998       1.32701996      -1.22652578       0.44052698       1.17630759 
O       9.60461997       7.08437003       4.09974004      -1.90153961       2.38569610      -1.27926587 
O       3.82144003       3.74112998       8.74436997       0.55082019       0.81180959       3.30775264 
O       5.86558001       6.76426996       0.95978500      -0.91315003      -1.69188089       1.04554890 
O       6.66147998       4.30729001       0.70697004      -0.94475228      -1.04325619      -1.34497797 
O       3.70112998       6.19479997       3.68560998       3.23545403       0.95418862      -0.94153351 
O       6.44062998       6.63595996       3.62352997       1.50781856      -0.21017501      -1.26852488 
O       1.79095004       6.79496995       8.75388003      -0.27238923       1.85688682       0.70441794 
O       1.28717997       1.03778000       6.45425997      -2.40886038       0.94708287      -2.74416526 
O       3.30689002       6.15894001       0.99073704       2.05437072      -1.15630983      -2.01088852 
O       9.29207995       1.54567000       6.63341003      -0.62059146      -2.69125258       0.40455002 
O       8.76095996       9.42948995       3.38735997      -0.24957910       0.57811187       0.64803214 
O       4.23043997       3.30401998       0.86384300      -1.40903835      -1.19778108       1.99293385 
O       6.65831003       6.69779996       6.02902001       1.84882106      -3.46856425       2.54229824 
O       6.63701999       6.66669995       9.11341002       1.64870947      -0.70663307      -1.87487949 
O       9.84108003       2.31132004       4.16144999      -3.36555647      -3.34377889       3.40409602 
O       6.40576000       8.97105996       0.63350902      -1.91211109       3.57147586       3.02318242 
O       1.03528002       1.37820997       1.16097999       3.80214853       2.06205675       2.03980460 
O       6.81899998       1.43271004       3.77719005       0.28305235      -0.21873520      -3.07744291 
O       9.37404001       9.58935003       8.83253003      -0.22989929       0.86511883      -1.92176232 
O       3.73746996       0.65358897       0.87509197      -1.67604073       1.01635353       2.67690382 
O       6.48859004       9.14709001       8.47288003       1.05494982       1.84979488       1.32201198 
O       1.49383002       1.57701001       3.89379997       0.93763798      -1.53322523      -1.55875665 
O       6.06247999       3.51812001       5.29472998       2.49749458      -0.83955769       2.77970071 
O       9.06069996       9.37629998       6.02290996       0.71200135       0.40705214      -0.92144333 
O       4.15798998       1.34555002       3.60448001      -4.56183030      -5.18174489       4.13476756 
O       6.75065997       1.15969000       9.09861004       1.87841005       1.16317832      -2.18903991 
O       9.72153001       1.95341000       9.19780000      -1.79641863      -0.82101137       1.78351192 
O       3.66289005       8.69383999       1.12138996      -0.11908264       1.78560973      -1.11878406 
O       9.25104003       6.99962998       9.50343005       1.27867163       0.58523539      -2.53473249 
O       1.41309000       8.64657995       6.57056999       0.29686055       0.83495930       0.62937281 
O       9.31248997       3.90480003       6.53123002      -0.02901785      -1.19612661      -0.40194731 
O       3.91052001       9.29076996       6.29013996      -2.45960309      -0.13633264       1.65611167 
O       0.90638895       4.74488998       8.71724005      -0.20710965      -2.27929370       0.20223497 
O       0.86699096       9.58116002       4.12682002       1.91378938      -0.32049203      -1.88397720 
O       0.50084400       4.43356005       3.51955001       0.80244431       0.07877268      -1.93773318 
O       6.38615997       1.31743001       0.81772395      -1.46151996      -0.78952482       4.10211175 
O       6.08890999       9.38666002       3.75640002       1.21008436      -2.00543406      -3.72638782 
O       2.16679001       3.25107001       7.14492004      -5.99679403       0.99460388       2.92761926 
O       8.95589002       9.16196999       0.99157697      -0.44358376      -0.93629928       0.02845844 
O       1.76716997       1.56386004       8.90039003      -1.66147965      -0.18716396      -0.12187843 
96
Lattice="10.47253497 0.0 0.0 0.0 10.47253497 0.0 0.0 0.0 10.47253497" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0015213107521085607 -0.0022929671999368127 -0.0016094457293431505 -0.0022929671999368127 -0.0353119765108983 -0.015083814178946733 -0.0016094457293431505 -0.015083814178946733 -0.007594076060056812" pbc="T T T" energy=-927.59287977 free_energy=-927.59287977 config_type=crystal 
Hf      10.26469997       0.06165810      10.13080003       0.13771592       3.59336768      -2.41415004 
Hf       4.99524000       0.08711254      10.13679995       1.21130180      -0.83406641       1.13336546 
Hf       0.07398186       7.67715996       7.48919995      -4.67492606       3.19861131      -2.33988077 
Hf       7.58542003       2.70730005       5.15704998       1.43615557       1.96471469       2.56680813 
Hf       0.09733530       5.40453997       0.41193402       1.93204366       0.40781704      -4.58569854 
Hf       0.31063497       7.93158004       2.52223004      -0.01091897      -0.12845886      -2.09732961 
Hf       2.49479001       4.88320995       3.04285997       5.24922843       2.61380226       0.49891093 
Hf       7.83486995       5.52659003       2.26218003       0.95810899      -2.71763921       2.76811821 
Hf       7.98326996       8.03891001      10.15320005       1.17202916      -3.52484146      -3.02025957 
Hf       5.18861996       7.50806999       7.79476004      -1.36706083       1.82701344       2.38303521 
Hf       5.12955005       8.34657005       2.62808003      -3.22640049      -5.74096397      -2.70318229 
Hf       5.08924001       5.27814998      10.46100000      -0.44825681      -2.19726104      -0.44011757 
Hf       2.47236998       7.70441997       5.01040999       2.90528202      -4.99227503       1.54921122 
Hf      10.22089996       5.00725001       4.91509002       0.13798584       1.08976048       3.17696250 
Hf       5.58165996       5.27103002       5.09239004      -0.60487502       0.04362986       0.63748263 
Hf       2.42544999       5.46772999       7.73132004      -1.66146983      -4.67527762      -1.21857312 
Hf       2.47882997       8.06320996       9.67824995      -5.35284914      -2.88435509       4.15421866 
Hf       2.81754002       0.02376501       7.79521004      -4.79822949      -0.84903835      -3.30347343 
Hf       5.35068998       2.41733001       2.45875998      -1.19860319       1.16241538      -1.45025692 
Hf      10.40180001       2.63636004       7.23467996       2.12836299       2.61326048       4.64586814 
Hf      10.27769995       0.14938600       4.81545003      -0.17205682      -0.56418215       2.50932999 
Hf       7.86521998       5.71162999       7.74544005      -0.11143134      -5.60802267       1.36544922 
Hf       7.78398998      10.26309998       7.45403999       1.88866605       1.82693448       2.88666157 
Hf       7.87482005       2.29590997      10.29970002       2.84466418       3.17458349      -1.13551458 
Hf       7.77509000       8.24977000       4.86868999       3.46079519      -5.99629057      -0.56724491 
Hf       2.63198995       2.26800998       5.11783998       1.43794898       1.78058661       0.32441304 
Hf       5.14888999       2.52004002       7.96430001      -0.63122580       3.78414693      -0.18824786 
Hf       5.07409997      10.33729998       5.17850004      -0.46234000       3.77018465       1.07912079 
Hf       2.42950998       2.73057997      10.24489997       1.31072469       2.10956224      -0.43929919 
Hf       2.59166996      10.42889874       2.63925999       3.12842578       2.54407573      -3.24326817 
Hf      10.31350000       2.82916998       2.54039999       0.08270705      -0.42999903      -1.95067147 
Hf       7.82190998      10.19280005       2.27801000       5.03282616       0.54489103      -1.70744818 
O       3.61510996       1.23874003       8.99645997       3.73166923      -0.84967830       1.52957899 
O       3.88905996       8.85828000       8.87629004       4.13964339       4.81683003      -0.35531040 
O       3.31583005       7.05796002       7.06642005       2.74958472       1.50360990      -1.99518474 
O       8.59665000       7.28681004       6.58892995       1.52212877      -0.76937626      -0.93766276 
O       3.62627997       5.07684995       5.27084005       0.61441762       1.66022562      -0.18706799 
O       4.29748997       1.72554000       6.19805002      -2.88868249      -1.99238943       0.69240183 
O       3.77951001       9.12839998       3.93820997       1.08214451      -0.01442942       0.22564624 
O       1.56012003      10.19779995       9.50919004       2.05186807      -2.43478219       0.17026209 
O       9.11925002       3.56551999       4.03378002       1.73528029      -0.66606661      -1.49004706 
O       9.23766999       4.38855002       1.43587995       0.36749396      -2.95614716       0.91375701 
O       1.07929998       6.54601999       6.25356000      -0.65829109       0.21969323      -2.41871755 
O       3.51001996       6.34784005       9.32414998       3.31175777      -0.10767135       1.56429552 
O       3.88130002       3.37807000       3.66333001       0.24421322      -0.48450007      -0.96833284 
O       6.37933002       1.45308999       6.66678005       3.68399812      -2.60108259       0.00124096 
O       1.54385995       7.31727004       1.00724998      -1.50203794      -1.99772204      -1.15446427 
O       6.40206002       4.73354004       8.89208000      -2.46672588      -3.41360444       0.17783723 
O       1.16142005       6.55825003       3.62461002       0.81388623      -1.56850478       1.13162901 
O       9.69068001       1.53442996       0.94843895      -0.77190237       0.95199557      -0.71208719 
O       1.24120998       9.56601999       1.67702996      -2.44295785       0.01785157       0.73144429 
O       6.91790997       4.33521005       3.88042001      -1.91596219       0.24840757      -0.57371915 
O       1.20611997       4.28430997       1.68958004      -2.57585247      -0.25125764      -0.52742342 
O       8.80461999       3.87941004       9.23481999       0.46832714      -2.95158737       0.09856394 
O       4.09126000       9.36819003       6.61306003       0.90395778       0.98465343      -1.80888614 
O       9.34937005       6.73141999       1.34611001      -1.06611015       2.48516342       0.15447086 
O       8.97896005       6.22742003       3.85512004      -0.56196222       1.08714138       0.44779490 
O       3.37562005       3.65937004       7.42864000       3.32091342      -0.67182240       2.05080724 
O       6.22849001       6.13231004       1.47241999      -1.56660600       1.50269115      -0.99621221 
O       6.90144998       3.38628999       1.15704996      -1.93940237       1.43271637       1.88624053 
O       3.75464005       6.72399999       3.13089000       0.35113620       1.73450156       0.95055641 
O       6.28176003       7.05427997       4.08578998       0.34912314       1.25622750      -0.95011454 
O       0.97311402       6.65297002       8.70698004       2.51236309      -0.14478378       4.49891389 
O       1.19691995       1.20996999       6.36314995       1.71145090      -0.19943286      -0.68589050 
O       3.59204996       4.69692000       1.47436997       2.64464117      -0.04890494      -2.54867003 
O       9.32449998       1.52640004       6.16496005      -3.71483120      -1.08184454      -3.48161079 
O       9.27480005       8.97435004       3.50656004      -1.83248160       0.82172470       1.15036868 
O       4.54115004       2.91013996      10.24870003       0.26223637       2.64439830      -1.12954822 
O       6.42748001       6.65822001       6.51812996      -2.58987264      -0.76328545      -0.22302990 
O       6.25280001       6.76804999       9.40783999       0.21803774       3.80122217      -0.45933162 
O       9.22313997       1.16143000       3.39754996      -0.18334845      -1.13754475       0.27619443 
O       6.82089000       8.91567001       0.82914295      -3.27215215       1.13418835       4.42737642 
O       1.86828998       1.90622998       1.50800000      -0.68060554      -1.38405281       1.20042223 
O       6.48805001       1.73250005       3.89030996      -0.33617303      -1.56030161      -0.31601325 
O       9.04991000       8.89091996       8.73914999       0.45577352       1.08641122      -0.43959063 
O       4.37394995       0.95726698       1.34371997       0.02316692      -0.47863851       1.40673741 
O       6.41231997       9.33515002       8.73875004       0.37998428      -1.01736432      -1.12480460 
O       1.53846995       0.69053895       4.06988000      -0.20320833       3.17507566      -0.16405822 
O       6.67992004       3.98225997       6.54140998      -3.02675566       0.17214732      -1.90727440 
O       6.72832997       9.26638997       5.99184004      -1.71890971       2.31052219       1.42056502 
O       3.97065996       1.07156004       3.97143995      -0.14483004      -0.72737504      -0.81877088 
O       6.53140002       1.22849998       9.34157000      -2.55710131       0.46789920      -1.73852624 
O       8.99141995       1.13791004       8.70536999       0.95809326      -1.23627155       0.59634404 
O       3.76194003       9.00081005       1.02309996       1.85175722      -0.36360457       0.45590392 
O       9.11230003       6.13979005       9.19611005      -0.58186631       3.19909263       0.46909032 
O       9.57023005       9.55003000       6.45507001      -1.40495797       0.29128594      -2.04310394 
O       8.96792995       4.08092999       6.40477995       2.14060849       1.97300664       0.18509253 
O       1.58515997       8.89603998       7.43587998       0.66758656       0.84912194       0.27040662 
O       1.77912001       4.57795996       9.61455003      -1.13981972      -1.16746823       1.06187735 
O       1.20857002       8.90847004       4.57270002      -2.86758343       1.92820051      -1.51245395 
O       1.18639003       3.82159997       4.22631004      -0.13647896      -2.94780950      -2.18571842 
O       6.97134001       0.91636597       1.23210997      -1.56169908       1.87876899      -0.62333922 
O       6.46679003       9.58950999       3.47073999      -1.22816251      -0.43593059       2.24380926 
O       1.30681004       4.24035004       6.45892002      -3.47356830      -2.61621770       0.92341408 
O       9.30053997       9.28286997       0.61246799      -1.82711358      -1.54849237       4.13743939 
O       1.42590004       2.06188997       8.66683002      -2.16355921       0.04848479       0.15214293 
96
Lattice="10.47358517 0.0 0.0 0.0 10.47358517 0.0 0.0 0.0 10.47358517" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.029216812561293368 0.0011886619210864971 -0.009296380534227804 0.0011886619210864971 -0.014227025050845133 0.0019728019364193185 -0.009296380534227804 0.0019728019364193185 -0.007679404068358255" pbc="T T T" energy=-929.05696409 free_energy=-929.05696409 config_type=crystal 
Hf       0.10652495       0.22004102      10.41790005       0.26857748      -0.25402876       0.32608660 
Hf       5.06862996      10.28110005      10.43940002       1.62135787       1.71945886      -1.37925746 
Hf      10.31769999       8.07363005       7.90537997      -3.09504713      -6.79956854       1.26061052 
Hf       7.47952997       2.59558996       5.67695003      -2.82587945       2.57448711      -2.60780999 
Hf      10.25259996       4.73794002      10.10730002       2.56889213       2.97312247       2.15488725 
Hf      10.14330003       7.40308998       2.21664004      -0.39682700       3.34997838      -0.76301692 
Hf       2.29340995       5.47003001       2.30443005       3.10253747      -2.32529945       0.43985172 
Hf       7.52520999       5.36498005       2.56852003       1.85076066      -0.90617340       1.61196332 
Hf       7.96178002       7.62364996      10.10560005      -1.41609604      -1.32752744       0.98582176 
Hf       5.05467003       7.61762000       7.61598005       1.76137716      -1.08811201       0.18263145 
Hf       5.14560002       7.77248997       1.91877997       0.06309022       2.99811410       2.25377420 
Hf       5.05896001       5.37567002      10.42913308      -2.32092167       0.34925812      -0.55738001 
Hf       2.75640002       7.96257999       4.66691005       0.68713362      -3.23555088      -0.67235230 
Hf       0.34998197       5.29890000       4.88185996      -1.94044212      -2.52203856       0.14584957 
Hf       5.26091995       5.16630997       5.08219000      -0.90210830       0.82799651      -0.75997178 
Hf       2.50082998       5.32950005       7.82450002       2.59780215      -0.36248609      -2.06280583 
Hf       2.30335001       7.81530997      10.22300004      -0.09682860      -2.94449882       2.11799715 
Hf       2.38089005      10.29580004       7.98030999       0.16311347       1.89666329      -3.17267681 
Hf       5.34042997       2.57897005       2.56522997      -0.98518856       0.58629325      -1.58355878 
Hf      10.39869998       2.66426002       7.75853005       3.62869104      -3.02108821      -2.36623820 
Hf       0.35296799       0.11025197       4.80827999      -3.63266765       2.45260924       1.41392115 
Hf       8.25614003       5.23003995       7.47789997      -2.05679492       2.91870449       0.76380119 
Hf       8.10400000       0.05244124       7.43014000      -2.80258321      -1.26194594       2.02459423 
Hf       7.67497000       2.64663999      10.34019998      -5.34437597      -2.50163866      -1.29360086 
Hf       8.10613996       8.16176004       5.05206001      -5.12189793      -0.39500724       0.69555133 
Hf       2.73675995       2.71791001       5.01988003      -0.19819944       0.44700659       0.00598013 
Hf       5.20765999       2.43432000       7.78124002      -1.37620525      -0.94103219       0.78819631 
Hf       5.23214001      10.43729996       5.11572999       1.37897088      -0.27860174      -1.48157243 
Hf       2.84980000       2.61874004      10.27860001       0.34337062       0.71801878      -2.47650225 
Hf       2.63745005       0.23976403       2.48777005       0.73725967      -0.01694158      -1.27214644 
Hf      10.41040002       2.65420998       2.26626001       0.30323713       2.48211300       3.15964908 
Hf       8.17719999       0.09009032       2.47879000      -2.06164357      -1.79147136       0.15707514 
O       3.90788996       1.01902998       8.65352000       1.88345603      -0.50798340       2.21362734 
O       3.27636000       8.97788002       9.02053003       2.35343061      -0.34963226      -0.26198741 
O       1.44481997       6.26396002       5.96381996       2.38293479       4.17592293       3.06803473 
O       6.61605996       6.42934002       5.90510996       0.16749951       0.50910845       1.76339701 
O       5.10512998       3.36714001       6.02101003      -0.67775035       2.39674876      -1.32055024 
O       3.67151004       1.51525996       6.23764995       1.52304968      -3.29401347       0.38541768 
O       4.53319997       8.81467998       3.93200005      -1.53786823      -1.19021312      -1.38619868 
O       1.08150000       8.87765001       1.65853002      -0.15914010       0.52427816      -1.02183589 
O       9.85783996       4.68282005       3.08975004      -0.28252357      -1.32177749      -1.38119107 
O       8.51734998       3.75669999       1.12484996       1.60361961       1.60643431       1.54888788 
O       9.33454005       6.77645003       6.44270997      -0.69947468      -0.91750381       0.30788209 
O       3.78170002       6.45855002       9.07056999       1.80963957       0.81641240      -0.61576508 
O       3.89623998       3.60850001       3.35925005       1.38279719       0.15629702       2.01213423 
O       6.35077002       1.04706002       6.52321006       0.86320084       0.87302551      -0.52875993 
O       1.14520003       6.37074000       0.92946198      -2.74020176      -0.98655024       1.02877897 
O       6.94999001       6.07957004       8.93836004       0.99902399      -0.19358680      -3.90612397 
O       0.71750898       7.00201995       3.73595998       3.24176126      -0.63874503       0.46651116 
O       9.22093003       1.38037998       1.29155005       1.08119732      -0.59129055      -2.71913221 
O       1.91087995       9.74302998       4.09772002       0.63776440      -2.02935382       0.96089911 
O       7.21062004       4.29756996       4.48550001       0.54546360       1.31581352      -1.20311287 
O       0.74169196       2.95680998       0.15394704      -2.49213418       0.38757611       3.86131942 
O       9.03272002       3.64304996       9.03506998       0.09639265      -0.64336080      -2.36322070 
O       3.91388996       8.31533003       6.11098001       0.29457366       3.43175771       3.87654181 
O       8.81245005       6.30619999       1.05948002      -0.06665584       0.56906401       0.28592430 
O       8.68877000       6.95360004       3.72914000       0.01333704      -2.49598997      -3.16625687 
O       3.89884005       3.68168000       8.79711002      -0.40561980       0.46629320      -1.44723271 
O       6.25898004       6.96903004       0.32072296      -2.68495027      -0.73189481       4.86403465 
O       5.79648998       4.54115005       1.89190999       0.87106031      -1.07665853      -0.69165836 
O       3.38432005       6.11031996       3.99483999      -0.51471017       1.28144767      -1.92741810 
O       6.00209002       6.53472000       3.15904999       0.75259240       0.53966362       1.03072923 
O       1.32066997       6.37912997       8.94315003      -0.33410136       4.24759306       0.23096778 
O       1.15779001       1.43776004       6.11733004      -1.26545836      -0.05163267      -0.30225912 
O       3.56896003       6.80139005       1.14510995       0.97961289       0.60292415       1.00015348 
O       8.91461003       1.66729002       6.52516003       1.91355543      -1.23457586       1.17855392 
O       9.43530002       9.38474005       3.37195996       1.30549454      -1.54349690       0.38593713 
O       3.08419004       4.46549997       0.56693202      -0.01457319      -0.05755871       1.95782533 
O       3.95392995       5.98986996       6.39528003       1.88576139      -0.69877906       2.03039306 
O       5.71481005       8.64591000       9.20678001       0.03263431       1.26575520      -0.52058638 
O       9.32461004       1.36036999       3.74392001      -0.37433280       0.99429460       0.02545017 
O       6.20690003       9.36352004       1.25240995       0.64219066      -0.19482241       0.96781923 
O       1.96654999       1.07079997       0.72476895      -2.31942671      -2.94065110       2.01811111 
O       6.23205004       2.10286999       4.17067996       1.94280248      -2.99099438       0.46963754 
O       8.60731002       8.66251000       8.68707998       0.79657173       2.77988864      -3.15169409 
O       4.34439003       1.83846999       0.95830298      -4.39850621      -0.42026210      -0.80974834 
O       6.74041001       0.99503605       8.96918003       1.05035647       0.65609592       0.00914150 
O       1.29597001       1.57636998       3.53379005       0.19143219      -1.25381311      -1.10029339 
O       6.96071004       3.53177000       7.47649001       2.49231142       1.00572861      -0.86267170 
O       6.82640998       9.20883996       6.58034001      -2.46089055      -2.23757941       0.04053585 
O       4.24604003       0.84498204       3.56146000      -1.35577743       0.65061892      -0.53503767 
O       6.05659005       3.96077999       9.91549997       4.05903179      -5.19520939      -0.65379251 
O       9.87026006       0.55428904       8.59046996      -2.96038602       1.71597082       0.71054557 
O       3.69075997       9.48679005       1.38924996       1.00988714      -1.28330943      -2.32316645 
O       9.54055002       6.31288004       9.08488005      -2.43282761      -0.58275644      -0.77352880 
O       9.15984002       9.26806997       6.05586999       3.36848566       3.97487162       1.22816939 
O       9.78310998       4.00113000       6.11121996      -1.28428317      -0.03487186       2.43725064 
O       0.96893797       9.11949001       9.51851004      -1.69139188       0.15682023      -0.49720686 
O       1.31273005       4.04213996       8.78454004      -3.25305840      -1.47343999      -0.92743061 
O       0.72547602       9.32815001       7.06074995       6.20248112       4.38587810      -4.60584502 
O       1.74845999       3.79974998       3.40462005      -3.69869712       2.94624996      -0.38188179 
O       6.36522995       1.48437001       0.95802899       4.68095869      -0.08748232       1.21690527 
O       6.92617004       9.73274000       4.05720998       0.48935245       0.76747760      -0.37708780 
O       2.08288000       4.04961003       6.35117995      -0.38935209      -2.81780192      -2.52327753 
O       8.67693998       9.42025996       0.67699998       1.79770822      -0.45579939       0.72738081 
O       1.50981003       1.26517002       8.74122999      -1.35179592       3.00256636       1.93770272 
96
Lattice="10.47470737 0.0 0.0 0.0 10.47470737 0.0 0.0 0.0 10.47470737" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.008880501684574325 -0.0029796165778628743 0.0009467048765464048 -0.0029796165778628743 -0.024704455923365325 -0.010297399890757413 0.0009467048765464048 -0.010297399890757413 -0.010329098643155036" pbc="T T T" energy=-931.81193396 free_energy=-931.81193396 config_type=crystal 
Hf       0.20408700       0.15796896      10.21760002      -6.34393333      -2.41739784       3.10990202 
Hf       4.94049995      10.14729997      10.00690003       3.72014947       2.24987843      -0.23634634 
Hf      10.19700004       7.53855000       7.52838996       4.76107774       1.73346788       2.55158390 
Hf       7.73799000       2.73481998       5.20789001      -0.12081398      -0.16938172       0.63639558 
Hf       0.09599263       4.92572004      10.03769996      -1.24991269       0.55170852       2.55055628 
Hf      10.35809999       7.72585003       2.27511000       0.04849983      -1.40708726      -0.41004025 
Hf       2.79444997       4.99860001       2.29978998      -0.77447299       4.87438833      -0.01228764 
Hf       8.08764003       5.18159996       2.95222997      -1.63390555       3.05082936      -6.60087039 
Hf       7.95313997       7.92119997      10.06830004      -1.70615296       3.17605388      -0.34652286 
Hf       5.04622997       7.73440001       7.80860996       1.18248060      -4.27536919      -2.33272855 
Hf       5.45076003       8.00675004       2.06280004      -2.73064152      -4.98572030       0.50955927 
Hf       5.51597001       5.25589004      10.21040002      -2.12375185      -1.62155387       0.74749823 
Hf       2.20715000       8.14716999       4.96570001       1.84905960      -2.16723515      -2.75542678 
Hf       0.34076695       5.39474004       5.04703998      -1.12003094      -4.41556822      -3.97716415 
Hf       4.90874001       5.50385004       5.14311002       1.55667445       0.16056408      -3.45104857 
Hf       2.78566997       4.93051997       7.72260999      -1.03655803       0.14989427       3.66436429 
Hf       2.41426000       7.95268997      10.45240001       1.12782045      -4.31804649       0.34876513 
Hf       2.51760000       0.09536121       7.43835000       0.87342818      -1.58578429      -3.23274152 
Hf       5.39618000       3.12700999       2.53253002      -0.43757046      -0.90616715      -4.87887115 
Hf      10.27520002       2.72552996       7.56895996       1.42962410      -1.21319927       0.73595388 
Hf      10.45159996       0.03978262       4.69073998       0.17928954      -0.72683858      -0.90098927 
Hf       7.94114999       5.41010005       7.65133003       0.08635054      -5.42361466      -0.65848511 
Hf       7.88989002       0.09698270       7.43112999      -1.60760466       0.76404722       3.06430547 
Hf       7.84154998       2.28444003      10.40589996      -1.45727622       2.58419896       0.30126610 
Hf       7.87530001       7.74081000       5.23771003      -0.18095172       1.74050277      -3.52699211 
Hf       2.71601997       2.55785996       5.02353998      -1.18499892       1.75082987      -1.71401162 
Hf       5.06583999       2.69913998       7.67797999       4.97502239      -2.17447878       3.39145566 
Hf       5.45149001      10.18350003       5.01221996      -0.57902789       2.11756426      -2.25137542 
Hf       2.59382005       2.53905000      10.24409998       2.87193691       0.51392946       2.53071670 
Hf       3.14316000       0.26374695       2.52409003      -2.40455160       0.41586415       0.56717702 
Hf       0.05580704       2.71900003       2.50608997       0.71233933       3.28257307      -0.82690949 
Hf       7.90570997      10.41270004       2.49192995      -1.86447186      -1.20655813      -0.10550086 
O       1.58047999       0.64377604       9.16554000       3.65964372       2.12982555      -2.44396967 
O       4.07776000       8.64372004       9.05876995      -4.26565659       3.73877272       4.48474539 
O       0.77106604       6.89675997       5.96465996       3.17436060       4.17632356       1.39394450 
O       5.91429003       7.13236002       5.82776999       1.71899948       0.99371819       0.61173026 
O       3.84817998       3.59211004       6.49862001       0.00107571      -0.25418847      -1.30397376 
O       3.60151005       0.95557697       5.78563999       1.88142942      -1.29246215       1.42548918 
O       3.75662004       9.38982999       4.12051001       0.24885683       1.68621620      -1.35273348 
O       1.07201004       9.07106003       0.75300105      -3.13056764       2.73570688       0.81882273 
O       9.14763998       4.07688998       4.02347997       0.81684123      -3.41868495       1.18168104 
O       9.48507001       3.67526005       0.91997197      -1.61608273      -2.46138515       0.66330265 
O       8.92841001       6.36351000       6.28333995      -0.54522396       0.48000060       0.77612422 
O       3.71680002       6.21363999       9.29584002      -0.47475250       0.71627889      -1.19798383 
O       3.78662997       4.29687999       3.89539001       0.47909566      -2.59235695       0.19194989 
O       4.18808999       1.04809995       8.44888001      -2.61792586      -0.99576523      -0.51809221 
O       1.35194995       6.57970996       1.24255996       0.42937134       3.83439239      -2.34398166 
O       6.34710996       5.93311999       8.43913004      -2.98419680       2.65145273       1.22236135 
O       1.50288996       6.46710004       3.69300997      -2.83176278       0.04570571       0.80826887 
O       8.95706997       0.73825905       1.10336000       1.78519829       0.81767134      -2.52165310 
O       0.90158697       9.21583001       3.27948004       1.65051250       0.78680423       2.72864163 
O       6.26093004       3.71659995       4.08184996       2.88020550       0.20733376       1.38207188 
O       1.27898000       4.44944997       1.11902001       1.37747117      -3.61986445      -1.70484862 
O       8.90435003       4.24767997       8.92971003       1.55030823      -0.73622163       0.36183554 
O       3.25671997       8.59053995       6.74681998       2.39550566       0.78190076       0.26762452 
O       9.39922004       6.19398001       1.40682003      -1.53951795      -0.73187965      -0.46576669 
O       9.14312999       6.51539001       4.06395005       0.19766484       1.28493241      -1.64404747 
O       4.05372998       3.69928997       9.19075000      -3.25960206      -0.05682861      -3.72241670 
O       6.24258998       7.20504999       0.07942028      -1.90151644      -0.69479201       2.52438930 
O       6.81298001       4.65879003       1.07795999       0.55454593      -1.18826078       2.13476318 
O       3.70808998       6.73786997       3.56752999       2.05754926       1.31645048       4.81227446 
O       6.38919996       6.12115000       3.10959998      -0.31160920       1.28445715       1.50804655 
O       0.89779701       5.74137995       8.12309000      -0.70628495       0.00311990       3.19764141 
O       1.33315005       1.90157000       6.28676999      -1.38055259      -2.36029882       2.75356360 
O       3.87188005       6.44847999       1.49057003       2.46360576       0.51058434      -3.79684919 
O       9.11497995       1.47863996       6.19806996       0.35091810      -4.57411743       0.75281019 
O       8.92031003       8.98900002       3.65341002       0.53138640       2.08769494       1.59615966 
O       4.17618004       3.76965005       0.85869598      -1.32409160       0.30034352       4.25622989 
O       3.83561996       6.01979998       6.64911997       0.24562065       2.83014676      -0.23929546 
O       6.44818995       9.07078004       8.79328000       0.04445827      -2.04719027      -1.19611414 
O       9.44873000       1.44944004       3.42216001      -1.64805667      -2.45956997       2.24412983 
O       6.18701998       9.62351997       1.16606998      -0.71775473       1.48441550      -0.72481022 
O       1.24054997       1.81625005       1.27795997       1.91385575      -2.98871333      -3.31396128 
O       6.51558003       1.61086000       6.49932003      -0.44087145       0.95380900      -1.22140643 
O       8.90950998       9.51293000       8.97400998       1.51884965       0.46373481      -0.26996230 
O       3.95869003       1.14455001       0.57953005      -1.53909579      -1.16206618       1.04320567 
O       6.60824997       1.79267002       1.57872998       0.69255952       0.44481086       0.30495377 
O       1.55909001       1.31645997       3.68170001       0.59829813      -1.55471539       0.71660448 
O       6.50263999       4.62600001       6.38831998       0.49108699      -2.29573287      -0.66868177 
O       6.74905005       9.39506996       6.14277995       1.99262728      -0.43439727       2.15620533 
O       4.21481003       1.74054997       3.35785002      -0.27738830      -1.26687527       0.29198059 
O       6.33310999       3.32356002       9.43918995       0.48181033       0.61949511      -1.38775273 
O       6.53821000       0.96493497       8.75108998       1.87761461      -0.38260547       1.96878222 
O       3.51441998       9.06600996       1.45788004       1.52990083      -0.05903168      -1.65045028 
O       8.90348995       6.83330000       8.80900998       0.61836188      -1.61277750       0.56995141 
O       9.69216000       8.86476999       6.23395003      -4.22073045       2.25544004      -1.43912600 
O       9.19243004       3.65711000       6.42369003      -2.40932940       4.14711935      -0.99512751 
O       1.18866005       8.44065998       8.78279000      -0.04547528       0.25018594      -0.28322956 
O       1.02228996       3.15371997       9.27890001      -0.35966072       1.81861423      -1.79060662 
O       1.35561997       9.67342997       5.96181996      -0.29474073       2.08293473      -0.23633077 
O       1.28908997       3.87276998       3.62985000      -0.03162039      -0.24678593       1.00471925 
O       7.04476999       0.79402000       4.17264996      -1.15485262       0.33577012       0.07085615 
O       6.42102002       8.66317000       3.62134003      -0.08853664       1.91855653       1.64290114 
O       1.46927998       4.23889997       6.38447995      -0.87557424      -0.19130540      -1.80575546 
O       8.47642995       8.62808004       1.24669003       2.34008858       0.71407690       1.98662213 
O       9.28855999       1.68206004       9.16966002       1.62622699      -1.31221690      -2.10764437 
96
Lattice="10.47589267 0.0 0.0 0.0 10.47589267 0.0 0.0 0.0 10.47589267" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.035795168401199035 0.03487103468162154 -0.008715758218358844 0.03487103468162154 -0.029222640127292514 0.009558844194314187 -0.008715758218358844 0.009558844194314187 -0.02123477659598614" pbc="T T T" energy=-925.68329997 free_energy=-925.68329997 config_type=crystal 
Hf       0.39749004      10.18779996      10.41449996       0.22427183       0.33430843       0.44662941 
Hf       5.19716997       0.34138598      10.02670001       1.15235729      -2.35629935       2.20341099 
Hf      10.14050005       7.61268004       7.35858998      -0.44423017      -2.80271964       0.67006265 
Hf       7.93652005       2.57263997       4.95537003       1.83086471      -0.69025735      -2.59476708 
Hf      10.21670002       5.24354004      10.19439999      -0.43165353      -1.61733834      -1.26662705 
Hf      10.38330003       7.68700995       2.52780996      -0.26512821      -0.37435781      -0.20530833 
Hf       2.37423997       5.07556005       2.26609995      -1.84888736       0.90976679       1.38054181 
Hf       7.72734004       5.36146004       2.46370996       5.26209972      -4.39958733       4.00214292 
Hf       8.17939000       8.36197004      10.19570004       4.55280069      -5.30913810      -0.53718587 
Hf       5.39569002       7.61815998       7.77194996      -1.60814735       0.58747899      -1.80323331 
Hf       5.33693996       7.74696998       2.33935001       1.87019976       2.87615519       4.39909641 
Hf       5.39269999       5.22891004       0.14610602      -2.63028820      -4.54434976       1.11219475 
Hf       2.62960997       8.26080005       5.50346003       0.03007531      -2.57374816      -2.07207585 
Hf       0.20590503       4.83240002       4.99104997      -0.97818672      -0.29663952       1.69985888 
Hf       5.17566003       5.47217001       5.10926005      -1.84929185      -0.96037424      -2.47919336 
Hf       2.19626000       5.25225001       8.03756003       2.75035641      -5.65598378      -3.04747621 
Hf       3.26095996       7.90696997      10.31680000      -4.01564633       2.84236425      -2.18488157 
Hf       2.41187001       0.24126704       8.03960000       0.60409646      -3.24116920      -3.55330547 
Hf       5.48387001       2.86013995       2.56264000      -2.72225003       1.40510214       1.77292821 
Hf      10.34160000       2.25410998       7.28057004       1.04599545       1.30266152       5.23032427 
Hf       0.24221102       0.04455806       4.94538000      -0.88444814       0.61381554      -1.63719539 
Hf       7.31729003       5.08038996       7.71798999       8.65407414      -4.41256877       4.18083124 
Hf       7.55237996      10.45370002       7.48453996      -0.11830358      -1.58162219      -0.31951166 
Hf       7.97994001       2.40572003      10.14540005       1.49839885       2.94655700       0.27562187 
Hf       7.65054002       8.48319005       4.63463004       0.87866619      -2.90455835       0.83036934 
Hf       2.86157997       2.76832001       5.01628001       1.59949187      -1.51758853       0.72641726 
Hf       5.55040000       2.57018997       7.26481995      -3.21254904      -1.37736234       0.30562794 
Hf       4.99310000      10.46420000       5.00381003       0.31098481       0.60417086      -0.41307687 
Hf       3.02856999       2.43789998      10.32959997      -1.44775991       3.77717323       1.32233896 
Hf       2.67561999      10.36169999       2.75181000       0.77026136      -0.93922675      -3.14889880 
Hf      10.02589997       2.74640004       2.38267998       3.95957334       0.70120937      -0.78528999 
Hf       7.76527000      10.36290001       2.16105000      -0.69276134       2.27075450      -0.55085268 
O       1.05535997       1.37257000       8.81452001       0.17741873      -0.92124788       3.35867032 
O       4.18412999       9.15474003       8.84918003       1.26084130      -1.43498611       1.67918027 
O       1.14475003       6.38662996       5.54963997       2.52920884       3.40915336       3.01658485 
O       6.50102000       6.05116998       6.47206002      -2.15861004       4.79867729      -1.62278280 
O       4.15462003       3.72920000       6.65965005       0.42693735       3.44375130       0.21911648 
O       4.04090002       1.46096998       6.40492998      -1.03460877      -0.21682104      -2.21909163 
O       4.27584004       8.74167998       3.59619000      -4.56891094       3.90091901       3.67229773 
O       1.21449999       9.05930999       1.44552998       3.74474019       0.11262093       0.56992044 
O       9.16961999       4.22141002       3.70402004      -0.73668427      -1.69884066      -0.45184979 
O       8.96104004       3.64570001       1.12413001      -2.81928331       2.01762244      -0.84777623 
O       9.42924005       5.54147003       6.84367000      -0.30049741       1.98416869      -1.53939760 
O       3.69703995       6.58635997       8.27546997       0.78282961       3.14752310       2.93714543 
O       4.31543001       3.81901999       4.22589999      -1.51259011      -0.46932297      -1.62665230 
O       3.82349005       1.35496002       8.82525005      -1.70818633       1.97623764       3.50916571 
O       1.61035003       6.21846998       0.77654597       1.42375501       1.49576809      -0.37699148 
O       6.23346004       5.97888003       9.16928999       1.35270303       3.43646896      -3.38404215 
O       0.64711998       5.85438997       3.23193996       0.69325801       1.43565760      -1.48768725 
O       9.41540004       1.28456004       0.78518502       1.93608434      -1.17208873       1.02364067 
O       1.35365997       9.11555998       3.93632998       1.15157525      -0.57806724      -0.04671111 
O       6.52693998       4.39567995       4.09743999       2.90934397      -0.34882746      -6.05458738 
O       0.70011805       3.83590000       0.85498097       2.94456744      -0.44930163       0.81948456 
O       8.63103999       3.97019005       9.01285003       1.86560716       1.11864642       1.08743637 
O       3.66888002       9.75099002       6.27184005      -2.74371529      -2.81273987       0.55330782 
O       9.05209995       6.50261998       1.19514002       1.38953730      -0.35538876       0.18041697 
O       9.21246000       7.30432999       4.11311004      -0.56383638      -0.57228867      -1.97773921 
O       3.88239997       4.33194001       9.28690997      -1.77104507      -0.70685610       1.83085725 
O       6.57743001       6.27344998       1.52773997      -3.72191823       3.93428466      -2.96467920 
O       6.75464995       4.07209995       1.11790000      -2.41534227      -2.46969843       0.79522621 
O       3.85766000       6.30404001       3.21859996      -0.49107523      -1.10835281      -0.70708940 
O       6.33067004       6.98617001       3.99626999       1.47877181       0.22901033       0.03563152 
O       0.86769399       6.27891997       8.76002997      -1.17811259       3.43972432       1.10086703 
O       1.13146995       0.93550497       6.54267005       0.14615945       0.92527520      -2.74749347 
O       4.69810997       7.04863000       0.77799898      -3.98031303      -2.38371276      -5.72022311 
O       8.69026000       0.73645295       5.97125002       1.69306783      -1.09297218      -0.27614189 
O       9.18951004       9.71554997       3.22090005       1.42688151      -2.23490085       2.85144380 
O       3.80606005       3.95758996       1.49462997       0.49358621       0.63006038      -0.96015500 
O       4.16413999       6.91214002       6.04062997      -0.79131034       1.88992658       0.13224867 
O       7.01306005       9.09560005       8.95689997      -2.98440143       0.28837008      -3.11293232 
O       9.75409005       1.50028004       3.90319001      -1.16277134       0.97545680       0.27764238 
O       6.97943003       8.80735995       1.19144003      -1.60395529      -1.15763964       1.92004353 
O       2.14311999       0.95730101       0.91052195      -0.33417184      -0.25625951       0.08201503 
O       6.42631002       1.30578000       5.10058999      -0.23015538       0.08567248       3.59371459 
O       9.83311002       9.21254003       8.93388998      -2.53506187       0.46877337      -0.94564753 
O       4.64314002       1.91139995       0.95725795       0.93869629      -2.33689954      -2.83482200 
O       7.17704004       0.62525502       0.33237095      -2.90785742       0.55359532      -2.17379530 
O       1.77107998       1.24579001       3.74997003      -1.24436789      -2.36290671       2.16471850 
O       6.64852005       3.56041996       5.99003005       1.14353556       1.50328938       5.45380856 
O       6.13265996       8.94250001       6.21815005       0.66741653       0.55295945       0.74396043 
O       4.15845997       1.34005995       3.58908001       0.33843809      -1.43340061      -0.56966486 
O       6.36230001       3.21448995       9.08979002      -1.52010176      -0.19061442      -1.22764693 
O       5.65769000       0.56785100       8.13390996       5.19192358       0.50321316      -2.33587935 
O       4.39606002       9.55362001       1.21578004      -1.37483312      -0.56372121      -1.98510317 
O       8.95059997       6.72496997       8.82749001      -2.26419358       1.04731326       2.23369520 
O       8.63847997       8.25396998       6.29422996       0.48022711       2.12717072       2.29916306 
O       9.38444000       3.36349999       6.16856996      -1.17953110       0.35085936      -2.81851840 
O       1.69663996       9.08144000       9.11104005       1.78823697       1.14865764       1.58868122 
O       0.82628195       3.86758004       8.52565000      -0.30693083      -0.57471004       1.40465381 
O       1.08892002       9.08918001       6.41577001      -0.99393085      -1.46324245       1.16306492 
O       1.38374003       3.45893998       3.59791003       0.21986804       2.37515197      -0.09950373 
O       6.91286998       1.64484997       2.88475997       2.44139374       0.61627552      -0.95818638 
O       6.49944998       9.74869004       3.74697004       0.47902857       0.34433626      -2.68758821 
O       1.79353998       3.76340001       6.33990999      -2.44695879       0.83801719      -1.28639072 
O       9.59432996       8.95837005       0.91716000      -1.73351546       1.04042242       0.29266860 
O       8.55841995       1.52414999       8.25724998      -0.04189766      -0.39585072       1.49678059 
96
Lattice="10.47716029 0.0 0.0 0.0 10.47716029 0.0 0.0 0.0 10.47716029" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014197538264315685 0.013213726473819735 0.01647138356495484 0.013213726473819735 -0.010125253326877156 0.0003769643322459846 0.01647138356495484 0.0003769643322459846 -0.012096046452308837" pbc="T T T" energy=-929.56939464 free_energy=-929.56939464 config_type=crystal 
Hf      10.44390002      10.31530000      10.39713040      -0.00900888       1.66571625      -2.94014817 
Hf       5.36761999      10.29820002       0.08139276      -0.01578912      -0.23568136      -7.35289206 
Hf       0.12224499       8.13863003       7.72098999       0.74438793      -1.03511724       0.52305474 
Hf       7.48662001       2.97770995       4.61338997       1.23294598      -0.68057445      -0.73323662 
Hf      10.31880000       5.13728004      10.43259998       2.22151663       2.66793373      -2.83746656 
Hf       0.12619698       7.73424999       2.68298995       1.12549359       1.71065735      -2.21831565 
Hf       2.78255996       4.71264996       2.35770995      -0.71238500       2.96113082      -0.47373635 
Hf       7.57290005       5.74773996       2.11866003      -1.59593681      -2.69284605       1.26469742 
Hf       7.93287003       8.10825004      10.27949997       0.05512980       1.50749206      -0.98227522 
Hf       5.50255995       7.38745997       7.63402003      -0.45197100       1.01792852      -1.06292624 
Hf       5.05465003       7.56362001       2.38134999      -3.01651050       1.88443366       2.05072144 
Hf       5.44771003       5.08037000       9.96973004      -0.11438054       0.32360790       0.01362729 
Hf       2.69857996       7.94728995       5.46256999       2.39869298       1.22270412      -1.27992483 
Hf       0.23860004       5.52889995       4.96708004      -4.25388936      -2.54522000       2.16119261 
Hf       4.99661002       4.90083002       4.52211002      -0.57090628       2.58843394       3.47089565 
Hf       2.62543000       5.20646995       7.36863995       1.40721592      -0.83418379      -0.14579288 
Hf       2.51093004       8.18355997       0.03895440      -2.48009690      -0.26972305      -1.10950746 
Hf       2.62511003       0.17949398       7.90503001       1.75221938      -2.16094175      -0.34891852 
Hf       5.03910004       2.18864997       2.09798000      -0.91377550       2.93937889       2.21925594 
Hf      10.36609998       2.59249997       7.45653002      -0.41878321      -0.02429235      -0.14347409 
Hf       0.07773969       0.09489112       4.91342996       3.14718832      -1.83128335      -0.79740763 
Hf       8.10087999       5.15584002       7.59278999       0.87668673      -0.12658960       1.46302657 
Hf       8.11413003       0.11314799       7.26080996       1.59435598       0.35358638       2.71193241 
Hf       8.12555999       2.23104999       0.00030960      -1.05040772       0.46822928      -3.33907909 
Hf       8.14983001       7.94160997       5.17413995       1.61591648      -1.02256787       1.25491151 
Hf       2.77864003       2.19129996       5.04018998      -1.83920090       3.65612307       3.16443333 
Hf       5.37820999       2.48737005       7.55274996       0.95677496       1.29559831       3.05198529 
Hf       5.67333002      10.07209997       5.22997001      -3.95778170       0.56304079      -0.71922082 
Hf       2.73608998       2.75060001       9.83274002      -0.95537533       0.57970067       0.37383642 
Hf       2.87133000       0.08683973       2.95407998      -2.55109490      -7.18141558      -2.19825004 
Hf      10.35900003       3.11456000       2.48033998      -1.61285937      -1.05186866       0.27512793 
Hf       7.99897996      10.14649996       2.23084003      -0.95397908       1.47182425       3.39148120 
O       1.42590003       1.53088997       8.82461006      -1.22863290       0.94134877       0.84741088 
O       3.78214004       9.26080997       9.54665005      -0.01341230       0.32412047      -1.91837411 
O       1.76684002       6.39584002       4.60699995       1.19007422       1.51421695      -1.62753646 
O       7.15200004       6.72287001       6.31022999      -1.02881022      -2.12915591       0.49320807 
O       3.23327995       4.10226003       5.77537997       1.66786752      -1.98823331      -0.42109449 
O       3.92199996       1.33708000       6.84627996       0.18193178       1.90630419      -2.61111316 
O       3.74782000       0.59627196       4.57483999       1.29721696       1.66086823      -0.69151137 
O       1.44362005       9.64174998       1.04415002       0.85762141      -0.40475820       0.91782087 
O       9.35359004       6.85598003       3.94007003      -0.33804986       1.55808920      -0.80934489 
O       9.08064000       4.06946997       1.26488996       2.16375094      -0.19008389       0.24943901 
O       9.42544000       6.24202001       8.95630000      -1.49787564      -0.15087040      -1.18089927 
O       3.99616003       6.16950004       8.64225005       3.20266757       2.38748522       1.05348824 
O       1.61318000       3.68802004       3.57701997      -1.64637358       0.22520391       0.48609211 
O       3.93161003       1.17827004       9.12560997       1.17273350       0.55005929       2.17877069 
O       0.87846295       6.90790002       9.94835004       1.64068817       0.66396318       0.85255507 
O       7.10215998       6.49736999       8.64789001      -2.68346363       3.05597631       2.94550099 
O       0.96554104       6.09640005       1.97137997       0.06585036      -1.63334324       0.68251526 
O       7.92715997      10.37547327       0.23165902      -2.73671367       1.96633542      -1.54083938 
O       1.90354004       8.71307000       3.38882995      -1.54137565       0.61167698       0.79461891 
O       6.29523005       4.27136999       3.15139005       2.81175788      -2.56096392       0.75226621 
O       1.61896004       3.68464000       0.95805396      -0.99597991      -0.10040550       0.26555883 
O       9.20877002       3.69989998       8.99329003       0.34917830       0.43414764      -0.13695233 
O       1.37529995       1.33930996       6.34036000       1.96239827       1.76556693      -0.53935570 
O       6.18281997       6.69368002       3.73137002       3.89087857      -1.02776172       0.73915363 
O       9.82812997       6.95212998       6.35888005      -1.20769285      -2.21715728      -1.26097556 
O       3.79805002       3.74355003       8.60351997       3.16061435      -0.46906742      -1.35558638 
O       5.93592998       6.47984002       1.01059000       0.87516240      -0.45866191      -2.10598101 
O       6.94956999       4.42437005       0.71816502       0.20380495      -1.43132726      -1.65746180 
O       3.91337998       6.15333001       3.53557002      -1.99828602      -2.09107402      -3.12867359 
O       4.29788998       8.88306004       4.13594997       1.72500812      -0.40981545      -0.85512592 
O       1.86731997       6.99020000       7.15907998      -1.01760586       2.23900488       0.33720157 
O       0.89606196       4.39750001       6.41839996      -1.46245059      -1.58351162       0.87077898 
O       3.33266001       7.13830000       1.39435005       0.28868535      -2.37904729      -0.35264614 
O       9.64652002       1.04803003       6.17401004      -3.81604636       6.12189454       2.64666381 
O       9.48590002       9.62402001       3.55653995       0.91459147      -1.37149375      -1.47433147 
O       4.46353997       3.84476998       0.72118097      -2.55302265      -1.63366077       2.06883992 
O       4.14586000       6.44865999       5.91099004       1.91749283       0.99658940       2.62278422 
O       6.35366997       8.99800999       9.18319998       0.24352030      -1.29185051       1.51272196 
O       6.27769002       1.29369000       3.60916998      -1.97943355       0.25657142       1.07372889 
O       6.86581002       8.49674996       1.84409996       2.29513793       1.22560373      -1.31192152 
O       9.99210999       1.69433001       0.62468004       0.71910154       0.30657626       1.68005151 
O       6.88701998       1.53263002       6.62491999       0.07029266      -1.77345257      -3.61949086 
O       9.37823997       9.43993997       8.81246996      -2.64652127      -3.87517690      -0.17829182 
O       3.28509004       1.08115001       1.32687001       2.67035855       3.10524332       0.36034523 
O       6.27287001       1.34190998       1.01124996       1.99753312       0.86904932      -0.26166561 
O       8.51545001       1.74871003       3.02634996       2.32172149       1.38109228       0.12123682 
O       6.05187998       3.72258000       5.91598000       0.17452408       0.25933473      -0.82894871 
O       6.68313999       9.12694004       6.73487998      -0.07049291       0.05162891      -0.60549198 
O       1.25462999       1.13753997       3.60083005       1.36396275       1.14763195      -0.80800691 
O       6.39916997       4.32135002       8.47028999       0.81389200      -1.34480800      -2.14041081 
O       6.71423002       1.84117998       9.00503000      -1.41898332       0.03743301       0.81411093 
O       4.58181003       9.31005000       1.36853998      -1.77232192      -0.19719213       3.83359200 
O       8.99278000       6.79072995       1.27533003       0.23494315       0.08967973      -1.66136827 
O       9.41130997       9.48166997       6.11399005      -3.73789191      -5.82213298       1.68720312 
O       8.91613004       3.53101005       6.00924999      -0.97443557       0.44362580       2.51951674 
O       3.94723997       9.29948001       6.62303996       0.58775608      -1.20716612       0.97890897 
O       1.17215001       9.25961997       9.04584001       2.79188628       1.64267480      -1.29396431 
O       1.27414999       9.34291004       6.02030999       0.67774145      -0.95614561       1.18085614 
O       9.24074998       4.53994005       3.86186997      -0.08106204      -2.98966767      -2.57009750 
O       4.11049005       3.30439997       3.57688000      -1.74396177      -0.51329421      -1.16343934 
O       7.24637998       9.37365998       4.28485996      -1.78541722       1.53276015      -1.38309192 
O       1.60321004       4.37681003       8.81461998      -2.82252666      -1.61154955       2.88637853 
O       9.34491998       9.23253997       1.08678997       3.04531321      -4.84194401       2.50386533 
O       9.04097002       1.19667003       8.68885005       1.59678776       2.19780134      -0.17079837 
96
Lattice="10.4785002 0.0 0.0 0.0 10.4785002 0.0 0.0 0.0 10.4785002" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.01315442544622606 -0.010809621277179979 0.007084421843786774 -0.010809621277179979 -0.01651212451645331 -0.0037638725292277095 0.007084421843786774 -0.0037638725292277095 -0.01264340571883097" pbc="T T T" energy=-926.58811446 free_energy=-926.58811581 config_type=crystal 
Hf      10.47401215      10.12200004      10.17910000       1.18687958       1.84126313       0.89019410 
Hf       5.40683998      10.26620002       9.83107003       0.14375176       0.55581049       2.29777439 
Hf       0.23842203       7.66930997       7.90946996       2.09228681      -0.16779143      -0.27261566 
Hf       8.26191002       2.56393999       4.96529998      -2.65690655      -3.88984422       0.99883760 
Hf       9.88094004       5.18709001       0.10085703       4.91300485       0.18776615       0.48966938 
Hf       0.22174005       7.83626999       2.56428998      -3.13177045      -0.09742872       0.91523133 
Hf       2.09358003       5.26144996       2.15776001       1.09744122      -1.84005364      -0.42368754 
Hf       7.62865999       5.34623999       2.36638998      -2.31316944       2.12695656       3.58200510 
Hf       7.92659005       8.09787999      10.40410002      -0.13431850       0.54008022       3.19427694 
Hf       5.57719996       7.52941004       7.46083999      -2.04876293       1.22195868      -1.05338373 
Hf       5.00668995       7.43876001       2.77392998       0.71794637       3.68915663       2.81564296 
Hf       5.23899998       5.43823996      10.17420005      -2.68137627      -1.46545086       1.97518330 
Hf       2.87415002       7.87172001       5.45446005      -3.53960007       2.03975605       0.06501459 
Hf       0.00119979       5.39613997       5.17816998       1.90731138      -1.31366719      -0.79905058 
Hf       5.26335002       5.09556995       5.12801998       2.40601914      -0.11190173      -1.70992821 
Hf       2.63102995       4.82368001       7.80514004      -4.01403281      -0.70517896       0.70978615 
Hf       3.26340000       7.80517001       9.86747004      -2.89713558       2.54260509      -1.29248679 
Hf       3.09571005       0.28495097       7.50729003      -4.41577642      -0.46901772      -1.93028492 
Hf       5.47581000       2.91526001       1.99956001      -2.44207842      -4.67186404       6.04655893 
Hf       0.19852504       2.65141996       7.69977002      -1.27130350      -3.55518539      -1.02599127 
Hf      10.30380003      10.19270005       5.25745000       2.03858970       3.80171927      -2.12819984 
Hf       8.00253004       5.13096999       7.91947001       0.99808346      -3.94148038      -5.32728051 
Hf       7.75243004      10.36670005       7.53910999       3.50803480       3.70677163      -1.14409833 
Hf       7.86902997       2.46431995      10.12909995       1.20770675      -3.15513163      -0.22627181 
Hf       7.98419005       7.77476999       5.11703003       1.22116539       0.94388753      -0.91391480 
Hf       2.65171996       2.67662002       4.90575999      -1.27111526      -2.20260541      -0.99949644 
Hf       5.57006002       2.83786999       7.55378995      -0.74321661      -3.59541943      -4.37993489 
Hf       5.23435999       0.35913299       5.11417998      -1.05395643       0.05915488      -4.06200930 
Hf       3.05567002       2.40444004      10.24710002      -5.78913807      -5.92314714       3.77739330 
Hf       2.75396005      10.30219996       2.25826003      -0.77685867       3.44067353       2.24918401 
Hf      10.27190001       2.47026000       2.26553002       6.22607285       1.53779129       7.22224424 
Hf       7.07782000      10.20120000       2.53251005       4.72287270      -0.96968840       0.56032214 
O       1.89677996       2.74908000       8.60599001       0.15755338       3.28667868      -0.75699316 
O       4.11201004       9.04688004       8.23266002       0.34407688      -1.85444300       2.11133840 
O       9.07699996       6.42682002       4.05395998       0.69653161      -0.73933148       0.72663156 
O       6.56935005       5.91541996       6.72345002       0.56206468       3.26167608       2.88654428 
O       3.97171005       4.38569002       6.56112998       1.70828617      -0.15656473       1.99392898 
O       4.16076000       1.63280003       6.20440002      -1.84856326       1.87984373       1.58943157 
O       4.68006001       1.42960001       0.39348895       0.11433455       1.88444819       0.23327984 
O       1.10402997       9.18935997       1.47977998       0.95695545       1.77484086       0.27429499 
O       6.57861000       6.52273005       4.24209003      -0.04415443       1.26165628      -2.95844090 
O       0.67909399       6.67927004       0.76076301       0.18399351      -1.48556161       3.14971123 
O       8.54438995       6.15985005       9.38229002      -1.00130864       3.30693056       3.10289029 
O       3.88816999       6.33561998       8.42922002       1.82499664       1.33354657       1.27411423 
O       1.46865999       4.14855003       3.67910998       0.95284612      -1.94721962       1.07629967 
O       4.78296004       0.78345001       8.33160001       0.72701732       2.72836985      -0.22072927 
O       1.40429004       8.66622001       9.45495999       1.20571589      -0.91858564       0.75496692 
O       6.34821995       3.87986002       8.95152998       1.79661398       4.28798401       1.65211343 
O       3.32775004       6.16791001       0.52393999       1.13499822       1.63872034      -0.88695229 
O       6.51115005       8.47635001       1.64327005       0.98536928       2.99460951      -1.66233258 
O       0.84666502       8.68864002       4.45009004      -0.99263202       0.18646055      -0.03140932 
O       6.53106004       4.01596997       3.57714002       2.12008749       1.68615700      -2.07945241 
O       1.03837997       3.68198999       1.06194004       0.08139412       4.57465741      -0.85737409 
O       9.35569003       3.94639001       7.03821002      -1.09405447       2.43497304      -3.80752306 
O       1.39721998       1.06589002       6.16565996       0.87327832       0.19806140       2.17498010 
O       4.02087999       5.86390001       3.23318001      -0.85828558       0.71543225       1.99401167 
O       9.26220997       6.66972004       6.65498999      -0.34595988      -1.15577205      -0.23279909 
O       3.72152999       3.88860003       9.44095998       4.59427257       6.01567511      -2.23664765 
O       5.85624997       6.55079001       1.27181004       1.20469366      -5.81970232      -2.20029480 
O       6.56747995       3.90106997       0.88543002       2.50583208       3.16326564      -2.62509465 
O       1.14162002       6.40498995       3.64330997       0.26498498       0.58423106      -0.74427999 
O       3.06229002       8.60444999       3.61137004       2.17504918      -0.22493254      -2.98025973 
O       1.72484004       6.22848004       6.55427002      -0.59147309       1.17527927      -2.47296373 
O       1.43433001       3.77336000       6.28260998      -0.97391200      -0.12587022       0.01767505 
O       4.20133003       9.58007998       0.89470297      -1.88032139      -2.63999272      -0.63866137 
O       9.46914002       1.33066998       6.63588999      -2.46517246      -0.37272774      -2.37150283 
O       8.72723003       9.30782005       3.93183998      -1.00360353      -1.94251750      -0.03917833 
O       3.94985001       4.17063997       1.75866998       0.37648760      -3.01557951      -1.78437899 
O       4.70869995       7.02412000       5.66987004      -2.61385259       1.77836157       1.30035273 
O       5.79453999       7.84411000       9.47491996       0.71488303      -2.64309959       0.85558272 
O       6.76998001       1.47811998       3.32169997      -0.88961656       1.54961790       2.83435886 
O       8.69934004       7.13253004       1.76817995       0.09619253      -1.69015398      -2.08736309 
O       1.77411005       1.54397997       1.18870998       0.56555384      -2.69357121       0.89654811 
O       6.73773001       1.24729999       6.02507998       1.16369005      -1.10316784       1.62347959 
O       9.43733997       8.83876005       9.09943998       0.25583700      -1.80761644      -1.17686986 
O       7.33565000       9.71815005       9.36003001      -2.30826891       0.54915273      -0.46157864 
O       7.00693002       1.06432998       1.07511005      -0.55105936       1.23514615      -3.84392264 
O       9.36282002       1.16176997       3.71553000       0.15588244       0.66073910       1.18731902 
O       6.78306000       3.80344000       6.24505996       0.26960967      -1.81024525       0.60408432 
O       6.74449001       8.96425004       6.52391003      -1.82245332      -1.51082831       0.68899947 
O       1.66408999       1.22370996       3.80357004       0.24651419      -0.01230910      -1.44025971 
O       6.91357999       1.56434001       8.51279004       1.19024336       1.00695354       1.21039428 
O       9.42325005       1.33101996       9.06234001       0.93152858      -2.90003276       0.31008337 
O       4.18066004       1.07466995       3.44517002      -0.14769998      -1.00932423      -0.64753750 
O       8.90243999       9.60448001       0.90527001       0.66559534      -0.18231194       0.35523507 
O       9.16811995       9.17526995       6.47137995      -0.10799198      -0.52813009       1.06123918 
O       9.36658997       3.70035996       4.04503000       2.17808293       3.08732251       0.24291518 
O       3.66976997       9.75112002       5.88996999       1.41592489      -2.47799227      -1.76245496 
O       2.23358002       0.67227501       9.22324996      -0.22047376      -1.57947613       1.59884120 
O       1.65116004       8.71789998       6.99510000      -0.15153258       0.41942487      -0.71032167 
O       9.01341003       4.26071001       1.72470004       1.24171562      -0.20424724      -1.89575181 
O       4.63890004       3.43202998       4.66846995      -3.70215708      -3.31737135      -3.10105306 
O       5.91038001       9.26794998       3.89730001      -0.73839190      -0.74619713       0.78274860 
O       0.83569403       5.99238004       8.85155000      -0.45796480      -1.22396002       0.20711555 
O       9.45096998       1.97075000       0.84984901      -3.71672665      -2.72871322      -4.61497156 
O       9.39731000       3.69629996       9.22909005      -1.31770770       1.74683814       2.45715941 
96
Lattice="10.47991473 0.0 0.0 0.0 10.47991473 0.0 0.0 0.0 10.47991473" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0033177903740386427 -0.0014633903650580595 0.007560752131029973 -0.0014633903650580595 -0.008085877350732592 -0.008368789705160577 0.007560752131029973 -0.008368789705160577 -0.01735987725629906" pbc="T T T" energy=-924.8511623 free_energy=-924.8511623 config_type=crystal 
Hf       0.05763251      10.42559995      10.24859996       0.26725228      -1.45288913      -0.99794421 
Hf       5.15248005      10.23430001       0.15629902       3.91365643       5.01764616       0.45307112 
Hf       0.26325797       7.74946999       7.42133998       3.14782525       1.52385513       0.14491745 
Hf       8.07384002       2.20664005       5.12930005       3.13896419       0.85374139      -1.47203522 
Hf       9.83551001       5.19459998      10.19020000       5.78743733       0.03764947      -1.58261556 
Hf      10.03300002       7.57707005       2.11293002      -2.76693729       6.20418994       1.48651706 
Hf       2.48801004       5.72851999       2.23318997       0.82024432      -1.63928395       1.80398680 
Hf       8.17740002       5.10311997       2.64873997      -2.39695666       2.66057967       2.71616962 
Hf       7.91978998       7.93673003       9.87750995      -1.27975940       1.28108020       1.73920093 
Hf       5.35462995       8.17906004       7.80167998      -2.57964262      -2.22070602       2.32017340 
Hf       5.37775996       7.68977000       2.42965997       0.37486853       1.23276835       0.66019417 
Hf       5.52657999       5.38621002       0.05590867      -3.95001126       1.10248207      -3.06454658 
Hf       3.04364999       7.68492000       4.98138999      -0.35178931      -0.08128977       1.57252830 
Hf      10.46859999       4.86926004       4.92064002       3.34559759       1.70895121       0.64243568 
Hf       5.25629995       4.94593005       4.99134004       0.62714826       1.13910756      -0.81927118 
Hf       2.57905000       5.20260999       7.82592003       4.53753259       2.41529449       0.31599155 
Hf       2.79069995       8.37699995       0.08407417      -1.18893146      -3.43752937      -3.49963293 
Hf       2.76377999       0.19827297       7.65201003      -0.33220782      -1.64332275       0.59716833 
Hf       5.20286004       2.73948995       2.24638995       0.51595257       0.43623449       1.56141401 
Hf       0.33730004       2.78612002       7.68575997       1.06831294      -4.92658895      -2.18987991 
Hf      10.45100002      10.06500002       4.71488995       5.59579325       2.81125005      -0.05690744 
Hf       8.04051001       5.03183003       7.16851005      -0.65719477       0.72676105      -2.48947999 
Hf       7.85405000       0.04378068       7.76197001       3.00068174       2.91164580       4.87404177 
Hf       7.82806002       2.34423997      10.19790002      -0.53563192      -1.59568454      -1.30843062 
Hf       7.47687997       8.36149995       5.14129002       1.10725632      -6.32309222      -3.29365188 
Hf       2.70105005       2.78843996       4.98735998      -2.26736097       0.31749111      -0.10418422 
Hf       5.62162999       2.46714003       7.63059999      -4.50195564       2.90205871       3.41609657 
Hf       5.36526005       0.62834404       5.02682996      -6.12103386      -3.17011805      -0.28740225 
Hf       2.51260996       2.68708996       0.02002439       0.24997014      -0.28313366      -1.74255911 
Hf       2.40065000      10.34190002       2.67284000      -1.16543546       1.04678889       0.49580830 
Hf      10.38070001       2.40245998       2.08573998       3.05563573      -0.11300759       3.55035375 
Hf       7.63640995      10.32649999       2.57099996       4.68685408      -1.20920678      -6.47621660 
O       1.26680004       1.19988998       9.02234995       0.07938354       0.44842101      -0.45808359 
O       6.70713998       9.25325004       8.89096997       0.79244020       2.82330567       2.30049297 
O       9.24612998       3.81077995       3.95236999      -4.56309369      -1.24503935      -3.14162413 
O       7.48024999       6.18075000       5.03604002      -0.51862447      -0.41344098       2.56569640 
O       3.89873002       4.30199001       6.27587996      -1.19984589       2.57101596       0.18480850 
O       4.50140005       2.27286001       5.69920997       2.64812858      -2.99136336       3.39571711 
O       4.07088997       1.55443995       0.98950202      -0.49911448       1.22771625      -0.14847067 
O       1.23283003       9.22694000       1.16828004       1.59055674      -1.44819039      -0.95565563 
O       9.26070996       4.06677000       1.27898996      -2.59272804      -1.28943189      -0.33810182 
O       8.03861000       6.42210003       8.61461001       2.11437323      -2.34441132       0.56944693 
O       8.99720005       1.29600997       8.85214996       1.00527720      -0.92740498       1.81910843 
O       0.77942102       6.44143997       1.43090000       5.75627989      -2.55223192      -1.87416489 
O       1.04930995       3.46409997       3.78880997       1.03411171       2.00105550      -0.90074758 
O       4.60480002       4.02642998       8.63329004       0.76905777       1.13719515       1.03371277 
O       1.04670003       6.14192999       9.02666003      -2.28009290      -0.34670218      -0.03955709 
O       5.99148002       7.18989997       9.51556995       0.37417936      -2.35163382       0.92694044 
O       4.20696999       6.30178002       3.54026998       2.10835093       1.59102411       0.38796635 
O       6.50940998       9.04052999       1.09568001       0.43437404       0.59443882       0.11381394 
O       4.64032001       8.95370002       4.00108001       1.07073413       0.00568775       2.09540015 
O       7.30584000       7.55570999       3.05955996       0.57543741       2.94308768       1.86387432 
O       1.08187995       3.95764003       0.94630800       1.03127543      -1.94366085      -0.96159250 
O       9.33183001       3.77660998       6.26800996      -0.51027635      -1.96283592       1.35274453 
O       2.19883000       1.21269004       6.14630996      -0.42077554       1.48957036       1.14414512 
O       5.32877003       6.93360999       6.36024998      -0.04197895      -1.52299034      -2.67508140 
O       9.72774998       6.15069004       6.73547997       1.45313304       0.56225578      -0.68400770 
O       2.13839003       3.41975002       8.58499995      -1.25919849      -0.12436671       1.85113616 
O       3.94457000       6.99259996       1.12722005      -1.89214007       0.83326879      -0.41020644 
O       3.95833998       3.84626002       3.84885998       1.16630055      -0.45711065      -3.52921396 
O       2.11314003       5.97144001       4.25199002      -2.73230011       0.31045476       0.00483755 
O       7.18402001      10.32190004       4.36261999      -0.30926119      -0.94504304       3.14284226 
O       2.33543998       7.06707998       6.78285003      -1.92776902      -1.52436546      -1.21608476 
O       1.27898001       3.89519001       6.32953995       1.02737669       1.73141000      -0.33673854 
O       4.23002999       9.53546995       1.83113003      -2.82545173      -0.14460818      -2.49801167 
O       9.82647004       1.12889002       6.52461005      -2.23295157      -0.22934359      -2.62967449 
O       9.63174997       6.43444998       3.68326999       0.26345881      -1.65054235      -0.72999790 
O       3.53482001       4.73829003       0.89845399       2.12411173      -3.86726782      -0.87466936 
O       3.72332003       6.95921001       8.74396999      -1.08492622      -2.14518842       0.41910764 
O       9.73691005       3.57029001       8.96763002      -2.41095081       3.37034842       3.13982175 
O       6.05657999       2.05844997       3.99509996       2.55955307      -0.09704066      -2.89964176 
O       6.57388000       6.42826001       1.30553999       0.25303995      -2.97895951      -0.77254010 
O       1.37396995       1.06870995       1.05236998       1.32270796       2.63218923       0.73574003 
O       6.66792005       0.99428201       6.53779001       0.90423979       1.99216674      -1.50055355 
O       9.44060000       8.84427996       8.64325004       0.13376648       0.40013317      -0.60865812 
O       6.50569998       1.24741000       9.15428003       1.36893946      -0.20389094       0.42987474 
O       6.70325004       1.13113995       1.40496001      -0.64687870       1.23237823      -0.37976573 
O       1.75377003       8.74532997       3.90094998      -0.34874619       1.19970061      -2.79377922 
O       6.94913997       3.65559002       5.61009999      -2.11158252       1.60662185       2.34954277 
O       7.37134000       9.02833000       6.84131999      -2.93815096      -3.92221102      -1.33339427 
O       0.95372705       1.18959000       3.74634996      -0.38024526      -2.70484302      -1.47467467 
O       4.22762999       1.42117002       8.86181998      -2.14570411      -1.39135596      -1.70568605 
O       1.74688001       9.09753999       8.69290996      -0.61066952      -0.20999451       2.24946288 
O       3.41374000       1.22770996       3.62245002       2.50128089       0.14149592       0.47157567 
O       9.22387997       9.04592002       0.69971498      -1.18189556      -0.28043786      -1.47721053 
O       9.37886995       8.89978997       5.68436999      -1.45640114      -3.24872196       1.10703057 
O       8.89032996       1.42837999       3.13234999      -2.20528935       0.37419877       3.19034876 
O       4.49862004       9.65730996       6.77182002      -0.99720968       1.92725836      -0.50206737 
O       4.21752001       9.06953001       9.51342000      -0.70526542       1.64868009      -0.57804900 
O       1.66719996       9.34236998       6.13859999      -2.25605514      -0.58778433       0.40835334 
O       9.02402003       6.63315995       0.68749802      -2.45643896      -0.84766377       0.20142690 
O       6.36828000       4.47920998       3.11081995       0.22662831      -0.75336538      -0.31578719 
O       9.77603000       9.41832001       2.88210996      -1.25901912       1.25181925       3.52200692 
O       6.30219995       3.51905004       0.61700299       0.32554654       0.96012217      -0.07004559 
O       9.44530999       1.06536005       0.93686497      -2.22652891       2.24855282      -1.59772256 
O       7.19067999       3.57578002       8.37912004       1.06738158       0.16414620       0.46897287 
96
Lattice="10.48140507 0.0 0.0 0.0 10.48140507 0.0 0.0 0.0 10.48140507" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009808063147341116 -0.0045837880322663616 0.001588449985451192 -0.0045837880322663616 -0.0071084126320063706 0.014627491891810285 0.001588449985451192 0.014627491891810285 0.0011807257361272814" pbc="T T T" energy=-931.63195931 free_energy=-931.63195931 config_type=crystal 
Hf       0.00310176      10.19280000      10.40920003      -1.47605829       3.70894643       1.47435593 
Hf       5.47070995      10.38739997      10.36599998       0.68993890       0.45327022       0.75981212 
Hf       0.16835600       8.31016000       7.49010996      -3.65825120      -2.00739121       2.18558296 
Hf       7.61743995       2.96777002       5.17862002       2.36229343      -4.36303970       0.46822545 
Hf      10.26289995       5.29462999      10.43460004       3.30240378       2.87231119       1.11381520 
Hf       0.09692449       7.98669996       2.64086002      -2.16091292       0.90661260      -0.90347658 
Hf       2.71928001       5.09317005       2.08582005      -2.42804039      -2.14935252      -2.20719537 
Hf       8.06658001       5.44026000       2.63211004      -1.01560993      -1.21495566       3.60704841 
Hf       7.85808998       7.78737005      10.08590005       0.65749018       1.14818967       1.83704884 
Hf       5.12519997       7.70215004       7.64847005       3.39001938      -0.90576795      -4.01886932 
Hf       5.03024997       7.65071999       2.14886004       6.80491953       1.34208920       1.32632969 
Hf       5.31327998       5.43682996      10.18390003      -2.26520202      -3.98007395      -1.94026168 
Hf       2.72082004       7.56866002       4.49432000      -2.43850344      -1.43118150       4.26720933 
Hf       0.16025901       5.46278999       5.27295005       0.17327498      -2.24454809      -1.26315399 
Hf       5.01422998       4.79332001       4.84073002       0.12681740       0.75262983      -0.26868780 
Hf       2.50302001       5.38990995       7.76979996       0.82703717      -2.99523950      -0.27419157 
Hf       2.83369995       7.76224004      10.19240003      -2.87771207       0.63744222       2.11321388 
Hf       2.95654999      10.36869999       7.58659004      -1.24110507       0.99933982      -0.98538711 
Hf       5.70575996       2.56183998       2.14685998      -1.38767832      -0.75355342       0.00985814 
Hf       0.29136304       2.48516997       7.48270998       0.57946817       0.77780314       0.30835349 
Hf      10.30620000       0.30303996       5.14170996      -1.47849911      -1.54905060      -0.74203767 
Hf       8.06741999       5.42289000       7.16262999      -5.42884372      -0.22552750       2.68789155 
Hf       7.61052998       0.17474200       7.70196997       3.85309483      -1.06066394      -1.35702518 
Hf       8.39786001       3.04884997      10.06200003      -6.87424367      -6.67741234       1.32513146 
Hf       7.55001999       7.97656004       4.95310997       0.21844444       2.52636382      -1.34846152 
Hf       3.04147997       2.10976000       4.94008997      -0.03546187       2.63849287      -1.40563151 
Hf       5.18088998       2.71392999       8.09721003       2.21221242      -1.52298890      -4.40645821 
Hf       5.10141996      10.29669997       4.81515005       5.87326038      -1.93127966       1.51292045 
Hf       2.30533002       2.59313997      10.14140003       4.52233726      -4.83490404       5.15604470 
Hf       2.80649997       0.13025703       1.95278995      -1.65634506       2.78254728       2.52900510 
Hf       0.27710602       2.96507996       2.73944005      -2.79715976      -4.52365279       2.14958918 
Hf       7.96725999      10.37220004       2.42318996       1.66682103       0.48296020       0.88629270 
O       0.86556701       1.37276996       9.25351004       0.52234831       0.02343497      -4.44998877 
O       7.09681001       8.87683999       8.71686000      -4.23709352       0.22755160      -2.34604000 
O       9.45793003       6.60908005       6.62586004       2.50401259       0.41930718       0.52497689 
O       6.67632004       6.69094003       6.02204003       0.92868437      -3.11186357       3.01896093 
O       4.29901002       0.82264104       6.40661001      -0.91321725       2.12325766       0.16685997 
O       3.60884996       9.06786999       6.14831004      -2.16366799      -2.58274943      -0.28488236 
O       4.12974005       1.20357000       0.96593998       2.16750033       0.59732500      -0.08787770 
O       1.62724998       9.22109000       1.45690996      -3.28494732      -3.67765704       0.91837333 
O       9.06816997       3.73167002       1.51139995      -1.01464023       1.64037990      -2.15894823 
O       9.22818005       6.41641002       1.48019000       1.70136510       0.50029490      -1.37421130 
O       8.92708995       0.94030299       9.50169996      -1.09621192       2.00257716      -0.37052353 
O       1.50662997       6.33504004       0.90970599      -1.51755244       0.40608911       0.22530874 
O       1.55499002       3.78120996       3.93258000       0.81585668      -0.01014410       0.21229507 
O       4.41538999       4.29376995       8.60906001      -1.66332342       0.96010490       0.10936959 
O       1.21501999       6.36315998       9.01746995      -0.12599038      -0.03595642      -1.23585252 
O       6.45609996       6.07466004       8.53779002      -0.68790439       1.96002132       0.23756978 
O       3.38196999       5.58250000       3.81100000       1.52492378       3.13700003       1.54550793 
O       6.60800004       8.90420002       0.69935897      -1.42994567       1.25864606       1.15222120 
O       4.05438001       8.57174002       3.63842995      -0.82282667      -0.13604032      -0.97667086 
O       6.17649003       6.46292000       3.47618996       0.33021320      -1.52513167      -0.78886106 
O       1.28203002       3.81802002       1.44990995       0.75708395       1.29191666      -4.56396778 
O       9.22612003       3.87733000       6.49401005      -0.15906429       0.72643439      -0.50688700 
O       1.45798001       1.50237997       5.87002999      -1.92495762      -0.50294219       2.11289105 
O       4.25292004       3.38715996       6.13881997      -3.87841948      -2.02884347      -0.55477944 
O       8.80313004       6.19384001       9.35618001       1.83645999      -2.75301151      -0.72325972 
O       1.75484998       3.77926000       8.97173004      -1.45227371       4.98600966      -5.67780679 
O       3.80547997       6.57398998       1.12507004       0.57269128      -1.83694663       0.29112482 
O       4.16819999       2.98509997       3.41896002       0.21972401       1.86146579      -0.71532357 
O       1.07017997       6.41332000       3.52521002       0.55158093      -0.02076454       0.51912083 
O       6.43621998       8.87607003       3.39125997       0.58037442       2.20907480       0.60099334 
O       1.63049995       6.51976003       6.41692005      -0.46264691       3.31179713      -1.85809652 
O       1.43943997       4.01704000       6.30333002      -1.03488706       1.00827881       2.92848243 
O       4.15191996       8.94758004       0.87333698      -1.21494685       2.14363731      -0.64008770 
O       9.38625001       1.28952003       6.75057996       0.95605562      -0.17133063       0.34930025 
O       8.95547998       9.07324004       3.90540004       1.99743170       1.50469426      -1.44967506 
O       3.75928999       4.06607998       0.54054199      -0.53453834       0.31924510       1.66413268 
O       4.01507998       6.70736995       9.04993002      -0.90958367      -0.69660352      -1.23387786 
O       9.98462997       3.52926004       9.40254996       2.11955445       2.46541152      -1.99951806 
O       6.17428998       1.27933001       3.58027000       0.38290299      -0.62338127       0.56036736 
O       6.38978998       6.48974999       0.75687798       2.98255706       2.04001829       2.63607957 
O       1.50038001       1.24297997       0.84873796       0.94984244      -1.50740906       1.50338043 
O       6.99409004       1.11776995       6.08980996      -1.54450097       1.09956629       0.51451065 
O       9.31049000       9.01880004       9.23654001       2.68091765      -1.81342433      -1.34360249 
O       6.49062005       1.06639995       8.99311997      -3.15530572       0.69850113       0.53960479 
O       6.68205002       0.92254099       1.20271995      -0.57830183       0.99713658      -0.94931833 
O       0.91518200       8.73560002       4.22900000       2.35431347       1.10957875       1.79045742 
O       6.23437998       3.95373996       6.11173004       4.28517580       0.79660199       1.07657459 
O       6.02730002       9.07931999       6.17882005       1.14056845      -0.60406243       1.24656421 
O       1.42118000       1.14578004       3.25997000      -1.23584759       0.72252010       1.72639034 
O       3.73587002       1.32900003       8.92631002      -0.32877001       1.18251840      -0.17427585 
O       1.41752996       8.92118001       9.59440998      -0.99678544       1.10789175      -2.92975504 
O       3.66171995       0.46832102       3.89897997      -3.21424290       1.13808052      -2.11507914 
O       9.05259995       8.94427002       1.36998002       1.53249979      -0.33657074      -1.18977115 
O       8.93299999       9.06622997       6.48360998       0.73197886       0.48650697       0.05293654 
O       9.47381995       4.33817998       3.93117004      -0.46660094      -2.09527623      -1.10219194 
O       4.36556003       5.99772998       6.30205003      -2.16915299       2.64524571       1.72074415 
O       3.92690998       9.14255996       8.74179002       1.88738701      -0.78947436       0.77248621 
O       0.79949097      10.01140000       7.06699000       2.31239014      -0.10577550      -0.51232659 
O       8.87811003       6.49839997       4.29176999      -0.55468114       0.46836781      -1.74186029 
O       6.69797997       3.92353004       3.70037002       0.18258969       0.03918788      -2.82375193 
O       8.70887003       1.24722997       4.30063999       2.06962157       0.34412063      -1.09009219 
O       6.31925002       3.83488995       0.46402302       1.80811561      -1.37277093       0.81060116 
O       9.52807002       1.05268996       1.61371995      -0.76610461      -0.88160731       0.51761745 
O       7.11811001       3.51560004       8.16696000       2.11200559      -0.39847608       3.32646597 
96
Lattice="10.48296247 0.0 0.0 0.0 10.48296247 0.0 0.0 0.0 10.48296247" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025837460066874544 0.0003289061225577459 -0.0013704096985909535 0.0003289061225577459 -0.0032498066894773156 0.005811989863733256 -0.0013704096985909535 0.005811989863733256 -0.004659995167244423" pbc="T T T" energy=-928.56305199 free_energy=-928.56305199 config_type=crystal 
Hf      10.43940000       0.00515101      10.34079998      -3.02448372       3.72996639      -3.11305009 
Hf       5.45667004      10.28459998      10.34649998       1.29337828       1.24678727      -1.17297918 
Hf       0.32185903       7.95325999       7.60730000      -1.68743520       0.16778064      -2.04885859 
Hf       8.01999002       2.54761996       4.93991995      -0.01872909       2.65187747      -0.25014364 
Hf      10.44270003       5.63958998      10.16919996       0.35379258      -2.49006361      -4.33240649 
Hf      10.20299997       7.60958005       2.57123001       1.85163429       2.16003817      -0.72799940 
Hf       2.62565996       5.36787997       2.25464999      -2.57075384      -0.10091870       1.21531329 
Hf       7.65897000       5.28313004       2.44165996      -0.98518343      -4.23875858      -1.03101749 
Hf       8.00831997       7.63677002      10.25470005      -3.11256250       1.54998153      -2.47776375 
Hf       5.65971999       7.75200996       7.50895996      -4.00737432      -0.58614411       2.45805825 
Hf       5.17053999       7.84599999       2.45526999       0.35000764       1.15270023       0.63983044 
Hf       5.23938003       5.12591003      10.43161944      -1.66378655       2.45101147      -5.06469177 
Hf       2.24512999       7.98797998       4.69141000       1.91378598      -1.20318419       1.06370589 
Hf       0.60818301       4.83657995       5.22961001      -3.87799588       2.48080629      -1.16622473 
Hf       5.05246996       5.22612998       5.07890999       0.22510452      -1.37151533       2.61424334 
Hf       2.56147005       5.32327004       7.77941001       5.78798279      -0.47064359      -0.80643527 
Hf       2.74507002       7.89576995      10.20039998       0.34140411       1.22655124       0.68245059 
Hf       3.18627998       0.03251333       7.55349001      -1.99512638      -1.55935501       3.10273560 
Hf       5.17155998       2.42327997       2.70692000       3.99672556      -0.68430261      -2.63787379 
Hf       0.06314989       2.84655998       7.57161002      -2.54731972      -1.04920571       4.12852921 
Hf       0.09168986       0.21657402       5.39222005      -2.37842322       2.47404114      -1.54366658 
Hf       7.69170001       5.18878999       7.44773998      -0.11142921      -0.18715630       0.52411491 
Hf       7.96433000       9.83303001       7.61122000      -0.09450413       9.53126652       3.51903828 
Hf       7.90356005       2.95885998      10.33050005      -2.50862316      -4.00701990      -7.17035084 
Hf       8.21206997       7.95442999       4.85064002      -0.87358337       0.35104792       2.69797490 
Hf       2.70811003       2.37957000       5.07984003       1.94250506       0.79314340      -0.34422885 
Hf       5.06470002       2.43241996       7.57174001       6.83639030       4.54073838      -1.05085191 
Hf       5.45645000      10.23180002       5.00644997      -0.78223025       0.33894132       0.10227262 
Hf       2.67953001       2.62967996      10.06519996      -1.11277527       1.20998957      -0.34518273 
Hf       2.47656005       0.09983753       2.15235001       0.29302950      -1.10623943      -0.93779023 
Hf       0.10649096       2.81367000       2.29527000      -3.63748118       0.96665308       2.44356758 
Hf       7.95111004       0.21316800       2.31234004      -0.91963255      -0.53891286      -0.37967291 
O       0.69822002       2.18910003       9.30251003       2.49120410      -2.23526729      -0.35345474 
O       6.92750997       8.98880004       9.17405999      -0.82900609       1.53186768      -2.70744990 
O       9.64168995       6.47927003       6.02412003      -2.15333673       3.46578662      -1.47718677 
O       6.38611004       6.35417002       6.30500996       2.21298837       1.56567972      -1.09391788 
O       4.17851995       1.30525997       6.26050999       1.64919510      -1.35225507      -4.14002412 
O       4.38360003       9.28302996       6.64886004      -0.20230051      -0.11079869      -2.15549844 
O       3.85364005       1.24108002       0.58087101      -0.62946871      -0.59550425       2.06877963 
O       1.41617003       9.56056000       0.61139499       1.16578910       0.06100751       1.56934573 
O       8.57445005       3.71781996       1.27270995       5.07274550       3.78246093       5.40686769 
O       9.27714000       6.66770002       0.97679102       3.15473212       0.39804770       1.94153187 
O       9.53849997       1.18864005       6.90283004       2.03162952       0.16520592      -1.81202604 
O       1.65751005       7.16232005       1.27611995      -2.05321200      -2.07235705       1.80468066 
O       1.74306004       4.06952995       3.81504000       1.37725026      -0.05807974      -1.16790963 
O       4.55717997       3.74318003       9.01044998      -2.59842461       1.42042953       2.76518550 
O       0.98854703       7.24398002       9.23944002       0.39125223      -1.65217456       1.30228149 
O       6.00824998       6.75146004       9.19500002       0.04556829       0.92904353      -0.84900435 
O       3.51013004       6.33047004       4.25810000      -1.57016403       0.34946775      -1.34219643 
O       6.44590003       8.93141001       0.97975696      -1.06327898      -1.25437235       2.56717801 
O       4.03708005       8.84525998       4.04024999       0.47532147      -0.18454123      -0.09574785 
O       6.02611997       5.96036003       3.47613002      -1.17755096       1.61089561      -1.07858337 
O       0.53575203       4.54851003       1.14273998       1.99382412      -1.51431953       3.15957318 
O       9.00108995       4.25861000       6.44428995       3.33374833      -4.58197621      -2.12775977 
O       2.01198000       1.34206995       6.67882999      -4.26189443      -2.92839348      -1.91241095 
O       3.83677999       4.06376999       6.56279995      -0.08581532      -0.02860383      -1.50704086 
O       8.95338000       6.20599995       8.67960003      -0.09896393       4.16222724       1.94014863 
O       1.39067001       4.47631995       9.03885996       0.22956856      -0.41709134       0.61003172 
O       3.96836004       6.43936003       1.43272996       4.06160308       1.53930820      -0.20603435 
O       4.31129999       3.77330995       3.68569995      -1.33454091      -0.11764943       0.96443165 
O       0.87446305       6.65480000       3.92838997      -0.82151442      -0.30988002      -1.29327663 
O       6.52397997       9.07003996       3.75214003       0.79597898      -0.28191737      -0.02393730 
O       1.50251001       6.35254999       6.50526998      -0.29128066       0.94382194      -0.51965089 
O       1.64133001       3.38933004       6.38387004      -4.23471835       4.86327670       0.01625396 
O       3.81343003       9.00143002       1.36761001       0.00990618       1.25889601       0.23809699 
O       9.54050997       1.44984004       3.87836003      -2.92862292      -1.11438405       1.30929861 
O       9.50198005       9.23842999       3.83998998      -0.57656315      -2.02528481      -2.75184164 
O       3.31868001       4.08647000       0.92876102       0.24039562      -1.12759657       0.36167967 
O       3.36381996       6.22533997       9.44569000      -0.13649005       0.21978233       0.94814900 
O       9.46531002       4.05228003       8.87720995      -0.92148668      -1.32988501       1.94643048 
O       6.63105997       1.28904000       3.56707999      -0.59426294      -1.70308866       1.28388905 
O       7.10447999       6.19367996       0.66841298      -2.14713865      -0.23404122       2.29120604 
O       1.02671005       1.64013999       1.03079001       3.26357977      -2.02927892       1.13336487 
O       7.07228000       1.54929002       6.20168999      -1.73185984      -3.30457935       0.51860589 
O       9.32896001       8.90929998       8.55997999       1.70084400      -1.03569894       1.72435581 
O       6.19768004       1.12104004       8.56883998      -1.27146115      -1.74337725       1.48077910 
O       6.61699005       1.19631998       1.00707996      -0.73285096      -0.01562710       0.23560712 
O       1.41640002       9.18594997       3.38058998       0.60680465       0.87842596      -1.55044354 
O       6.37510995       3.86523001       5.90332999      -0.17614364       0.50225052       1.58987996 
O       6.73225001       9.19162000       6.31951995      -1.85189904      -2.54842611      -1.77338835 
O       1.24594003       1.64502998       3.94108997       2.23344761      -1.62315068      -0.54843116 
O       3.62928002       1.75910002       8.59001001      -3.55657041      -3.73020594       0.94410291 
O       1.35414999       9.60981000       8.51209005       1.03920192       0.28112761      -0.27328580 
O       3.96096997       0.84740799       3.49868998      -0.03309050       1.59944665      -0.13727500 
O       8.87491995       9.42440005       0.76010598       1.83329152      -0.77376057       0.79261321 
O       8.96974998       9.42138997       5.97571002       2.13473173      -0.28870508       0.40072622 
O       9.70849997       4.05706005       3.91390996      -0.16297323       0.70730510      -0.48563141 
O       4.06373005       6.61478003       7.17762004       0.32087713       1.01514967      -1.35444859 
O       4.18935996       9.27765000       9.13468000      -1.39936961      -0.31425323       0.45334341 
O       1.00551004       9.11533003       6.01005997       2.87715347      -2.12531249      -0.07598129 
O       8.01049004       7.11565996       3.08110998       4.24441715       1.20022658       0.33147830 
O       7.01396999       3.62282000       3.60912002      -0.39718354       0.60573910      -2.44208517 
O       9.07127003       1.46107002       1.50050001       2.37331451       0.27901961      -0.89868157 
O       6.34272997       4.10993999       1.02550000      -1.12127723      -4.13115287       3.35828915 
O       8.68958998       1.35542996       9.32918005       0.82698863      -1.13872355       0.88129873 
O       6.69203999       4.50010003       8.92912997       1.68105350      -2.73408398       1.22447285 
96
Lattice="10.48459015 0.0 0.0 0.0 10.48459015 0.0 0.0 0.0 10.48459015" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02330400605356281 0.011956748851093959 -0.015383777219076496 0.011956748851093959 -0.017769913160874905 -0.0010885338715835044 -0.015383777219076496 -0.0010885338715835044 -0.006492322509865449" pbc="T T T" energy=-933.12599338 free_energy=-933.12599338 config_type=crystal 
Hf       0.34676104      10.07830001       0.13020980      -2.44047488       1.09634974      -0.61305873 
Hf       5.51018998       0.23405495       0.15420987       1.08446292       2.75802796      -0.54407487 
Hf      10.25129995       7.95371997       7.72725995       1.03542277       0.01178307       3.19717829 
Hf       8.13836995       2.41371999       4.91463999      -2.98774530       1.01968304      -3.26474428 
Hf       0.05147420       5.00892005      10.26379999       2.82599757       1.13478353       1.97855343 
Hf       0.08991784       7.44121999       2.45170000      -0.66648909      -1.86552741      -0.98541914 
Hf       2.66774001       4.84965000       2.63430004      -0.88842794       4.14430298      -3.92259700 
Hf       7.91684000       5.36331000       2.70223001      -0.16044051       0.75503335       1.05067114 
Hf       7.96895995       8.17843000      10.12930000      -3.54213883       1.51601257       0.99199511 
Hf       5.05548002       8.13274004       7.86923000       1.94273276       1.08483176       0.28968456 
Hf       5.19445001       7.73907996       2.30003002       0.46319918      -2.31878264       1.20895644 
Hf       5.30052995       5.50251002       9.93893004      -1.79549383      -4.20469072       4.00238536 
Hf       2.52007001       7.78165002       5.16554997       1.10974515      -1.84815147       0.30265339 
Hf       0.28678604       5.31913999       5.35905000      -0.19784060       0.46881777      -1.55330309 
Hf       5.39169996       5.14210003       4.90972996       1.39589802      -3.66451970      -4.33483786 
Hf       3.08316998       4.85478997       7.49776999      -0.02040502      -2.50433754      -1.44160740 
Hf       2.47828996       7.38570996      10.09089998       2.20909095       0.95154759       2.79798835 
Hf       2.72529003      10.31270001       7.79593003      -0.06654043       4.11842523       1.86852891 
Hf       5.38917003       2.80408005       2.44379996       1.48487138      -0.38472613       0.07465284 
Hf      10.32599615       3.01450996       7.47079995       1.17883710      -3.91718671       1.88497625 
Hf      10.42199998      10.21930003       5.17364995      -0.45437655       2.30806065      -0.36091980 
Hf       8.10056001       5.35301004       7.25903996      -4.48953985       1.66389098       3.68248882 
Hf       7.81746003       0.25490303       7.68334996       0.78444509       3.57022958       0.86910368 
Hf       7.71224004       3.29135001      10.10620003      -1.24324687      -6.27417733       1.82699916 
Hf       7.81934998       8.16198995       5.31170998      -1.26354775      -2.17353631      -2.13970458 
Hf       2.40520000       2.14964996       4.63667002       5.40766222       5.08747070       5.12591422 
Hf       5.31416002       2.59265000       7.29698998       1.21132863      -3.16716537       2.10608682 
Hf       5.14248995      10.13350002       4.67661998       4.06026304       0.52277453       1.90882916 
Hf       2.81530002       2.69656005      10.12760003       1.51200361      -1.29520339       0.52398574 
Hf       2.67781004      10.13829997       2.20827004       0.70306599       1.46817546       1.28152053 
Hf       0.10003295       2.50581002       2.33640001      -2.12080060       3.16195767       0.14626540 
Hf       8.29796995      10.34399997       2.51022005      -2.09517865       0.33347105      -1.79557836 
O       1.48643002       1.87310002       8.49934003       0.05284753       0.31837410      -0.18996357 
O       6.64547000       9.79381995       8.91952005      -1.64045927      -1.89351834       1.12252610 
O       9.44865005       6.65617005       6.51694004       1.02957253       0.52317482      -2.65543338 
O       7.26370005       6.90930003       6.61323995      -3.95142759       4.27887234       2.07922365 
O       4.12056995       0.67913398       6.64682996       0.11760627      -0.07490834      -0.71230521 
O       3.38982002       8.71274998       6.84776996       0.09712900      -1.73680604      -0.20373371 
O       2.15186997       0.63511600       0.62507701      -1.23570168      -0.03886764      -0.73441501 
O       1.30762005       8.67434996       1.09814004       1.63894466      -0.00842147       1.41842274 
O       9.55305004       3.37038002       0.60327399      -0.97760728       1.80239107      -1.43780371 
O       9.36444002       6.02043997       1.29395999       0.20469523      -0.31934113       0.61922415 
O       9.15731999       1.29591002       6.06497001       2.81203388       0.36116193       2.05536022 
O       1.42782000       5.83330995       1.19564001      -0.83844527       1.98134585      -0.02324419 
O       1.24243001       4.03895004       3.99375999      -0.79069948      -3.21107595      -1.04404864 
O       4.68249995       3.81874995       8.73359995      -3.17771613       2.63354508      -0.18209158 
O       0.73225804       6.99291999       9.52639004      -1.79415994      -0.93965570      -2.21967603 
O       5.90772003       7.21827000       9.39595995       1.84932836       1.70096821      -1.61557225 
O       4.20245995       6.07610004       3.34580005      -0.14764349      -0.16830266       0.01273060 
O       7.15090997       9.45504995       1.16980001      -2.36180389       0.46088611      -1.49100090 
O       4.46131001       8.27589999       4.41582996      -0.49121422       1.10225072      -0.01076980 
O       6.68818999       6.43582003       4.48054997       1.69918834       2.02112971      -3.70785636 
O       1.50442996       3.30220995       1.15213997       0.56022171      -0.38215174       1.14523937 
O       8.74443997       4.06340000       6.03384001       4.22774416      -2.99728376      -2.27450035 
O       1.32516004       1.01242002       5.72424998      -0.30567604      -1.22328842       2.34443690 
O       4.12735998       3.24022002       6.00131995      -1.64855703       1.60764784      -1.09305343 
O       8.90487003       7.08292999       8.93638000      -1.30355614      -2.20087054      -0.73014457 
O       1.95928996       4.34959995       9.40805005      -1.68460990       1.12042903      -2.21547444 
O       3.84283998       7.07420995       1.09019995       0.06623887       0.58883762      -1.20310359 
O       3.66459995       3.58439997       3.54503998       3.61467966      -4.06251760       0.74617106 
O       1.36286996       6.29556002       3.92721000       0.18155018       2.34169341       0.55209070 
O       6.86294997       9.30051003       3.68001995       0.70454807      -1.08590150       1.43631722 
O       1.21780003       6.41625002       6.68540004       3.69970462      -0.14688775       0.08035002 
O       1.75133996       3.82490000       6.36396001      -3.47628261       0.06707966       0.40109724 
O       4.49254004       9.55861002       1.75215000       0.50295573       1.15869765      -0.63225728 
O       9.93631004       1.00353003       1.34008003      -0.81963380      -3.05293477      -1.12457299 
O       9.37730996       1.19812004       3.70302000      -0.55645337       0.07905143       0.77334291 
O       3.97162996       4.56679002       0.83255100      -1.23401825      -0.60339605       0.22773379 
O       3.55259999       6.22600000       8.79675000       1.32163513       2.76735234       0.67219337 
O       9.69043005       4.82217000       8.23342000       3.90781609      -3.43527613       3.11454579 
O       6.39642995       1.30089995       3.52768997       0.66764296       0.07527629       0.37910437 
O       6.75198002       6.92052001       1.22645999      -0.17442811      -1.31799166       1.28050864 
O       1.51106000       1.42872000       3.29100999      -2.45996541      -3.76543503      -5.52087851 
O       6.68974999       1.60924001       6.19476001       1.19468635      -0.43685798      -0.08485895 
O       9.27919003       9.60487998       8.86303998      -1.49627644      -0.05359911       0.81230192 
O       6.67438000       1.99202998       8.90276001       0.50011993      -0.64685190      -0.81259807 
O       4.40873000       1.98234002       1.04570996      -1.34714496      -2.33705302      -0.50739081 
O       2.19809003       8.60503005       3.44020005      -2.34921449       1.16145130       0.43411106 
O       6.40660996       4.63591996       6.55369996      -0.74795212      -3.16089711       0.22931094 
O       6.14051002       9.33759004       6.30349004       1.51086667      -1.11359378       1.52857419 
O       8.98761001       3.76099003       3.35872000       1.88462623      -0.60478654      -0.68564236 
O       4.24092005       1.38825001       9.18736997      -1.44593392      -2.23727997      -0.93120973 
O       1.14864997       9.58239001       8.99620004       3.04482841      -1.50218450      -2.74770215 
O       3.78620002       0.63485095       3.85275997      -3.36655626       1.80536844      -1.34477593 
O       9.31783004       8.55201996       0.98011500       2.95609949       1.32851411       1.76616240 
O       9.01921004       9.53007002       6.35187002      -1.74321514      -2.54860608       0.53071873 
O       9.18575996       6.59912004       3.99933999       0.44522026      -0.43625207      -1.62691472 
O       4.33877996       5.85626995       6.15921998      -6.29536912       4.70700530       5.49638135 
O       3.97765000       8.88975996       9.56972998      -0.74047734       0.95685723      -2.92061658 
O       0.94808395       8.85089998       6.39292999       1.68658896       1.61357700      -3.34221448 
O       9.66359002       9.07196997       3.62326005       0.52864749       0.15435823      -0.19757729 
O       6.67831005       3.97180002       3.62076996      -1.25174931       0.04610048       0.96227671 
O       7.00434997       1.39488004       0.88274902       0.08027936       0.49810499       0.38644198 
O       6.32254997       3.99376995       1.08153999       2.84355631       1.22523646      -1.15131938 
O       9.06074999       1.94956005       8.55311004       0.67971271       0.84830422      -0.45777099 
O       6.92525003       4.64767004       9.06783999       1.56629316       2.85012682      -0.93797968 
96
Lattice="10.48627449 0.0 0.0 0.0 10.48627449 0.0 0.0 0.0 10.48627449" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02085833885986511 -0.0013662573786072313 0.004456202778963931 -0.0013662573786072313 -0.012133442772553531 0.0025598091226372737 0.004456202778963931 0.0025598091226372737 -0.01282998980457973" pbc="T T T" energy=-927.31807437 free_energy=-927.31807437 config_type=crystal 
Hf       0.15314596      10.33589995      10.25020003       1.47030835      -4.11243413      -3.28082509 
Hf       5.45735002       0.28611800      10.18550003      -3.89561178      -5.80761819      -7.74598235 
Hf      10.46600001       8.05454005       7.60429004       0.13598441      -2.53835241      -2.62325868 
Hf       8.13144995       2.55664002       5.20403005       0.47816379      -2.41993927      -1.16015030 
Hf      10.30890000       5.15701001       9.95399004       3.01127677       3.13036721       2.66348369 
Hf      10.12000004       7.91302001       2.46198997       2.00725163      -1.75766318      -1.35192839 
Hf       2.60422999       5.15943003       2.69076000      -0.59613677      -0.74577026      -4.58196627 
Hf       7.86061003       4.87715997       2.17418001       1.30030247       4.53419448      -1.07076577 
Hf       7.87743002       7.71900003       9.98553999      -1.25254992      -2.93723518       2.13085064 
Hf       5.29322001       7.87236997       7.46886998       0.54043367      -1.85294982       2.06391901 
Hf       5.18323996       8.03042004       2.05708995       3.45665928      -3.68695644       3.61920397 
Hf       5.24718998       4.99599998      10.38115053      -6.57853551      -3.22825990      -2.96904676 
Hf       2.41679003       7.83216004       5.05970001       1.11593902      -1.15429327      -0.68244426 
Hf       0.22737200       5.01669003       4.92956995      -2.29200828       2.67745289      -0.24896263 
Hf       5.70242002       4.99387001       5.12476996      -1.73049944       2.29539268      -1.13079900 
Hf       2.63049003       5.08939001       7.43884998       4.26070187       1.24003638       0.02861397 
Hf       2.80634999       7.48336002      10.43979995      -0.61462282      -3.17708290      -0.75835878 
Hf       2.78081004       0.04232554       7.63062999       1.85799300      -2.51181271      -0.84327350 
Hf       5.19949001       2.34735999       2.47463002       1.61152744       2.20310750       0.12118123 
Hf       0.19385902       2.42915996       7.78015000      -1.25607241       3.50150080      -2.36686827 
Hf       0.15686796      10.27810003       5.11128996      -3.36834022      -0.20561455       0.50591904 
Hf       8.11881000       5.32790997       7.46180003      -0.68731401      -0.11286094      -1.71771346 
Hf       8.18637999       0.01642549       7.90930001      -4.98341031       2.41718106      -4.37245161 
Hf       8.05954001       2.66735002      10.04580000      -2.16019401       0.91614316       1.51226468 
Hf       7.63046997       7.86535004       4.66311005      -0.44469528       0.31678105       0.06047924 
Hf       2.42261998       2.41338996       5.09390005       2.73350259      -0.05178796       2.38803071 
Hf       5.39736004       2.96307995       7.64506005       1.64024887      -0.63562268       2.76036017 
Hf       5.34785004       0.13973296       5.25895998       4.18775529      -1.14817575      -0.43421136 
Hf       2.50007999       2.34936004       9.99303999       3.22607615       3.16661001       1.38022364 
Hf       2.95788998      10.33360000       2.46732003      -1.53107166      -2.44938221      -1.06272085 
Hf       0.32379298       2.09724001       2.40491003      -3.45750203       1.42578139       2.11398446 
Hf       7.89199996       0.04162548       2.36657997      -0.19246534      -1.90967901       0.16586011 
O       1.18104005       0.86423197       8.48372995       6.15099325      -0.49666787       2.22625009 
O       6.92651000       9.09010003       9.18097995      -6.22297084       4.63171727      -0.30491638 
O       9.33835995       6.06525005       5.93646004      -0.51649517       0.88575374      -0.59427350 
O       6.78377000       6.51068004       5.90912998       1.09060731      -1.20414770       0.32204963 
O       3.57136996       0.78318303       5.77702001      -0.85620673       1.41918208       1.61829749 
O       4.05188000       8.92178997       5.97062998       1.08872442      -1.39808615       1.84605325 
O       1.04972001       0.95225397       0.99755300       2.34124203       2.11873258       0.59433775 
O       1.80491004       8.87803002       0.90679901      -2.00198311       2.19202007       1.84554426 
O       9.65024996       4.19332999       3.56871997      -1.34154488      -1.80269918      -1.90631604 
O       9.52977997       7.14996004       0.53163702      -0.55764666      -0.13178524      -0.41540107 
O       8.96079000       0.61923496       6.19857003       0.90966838       4.13257632      -1.00111603 
O       1.13013999       5.94871000       0.98466904       1.24075493      -0.54842671      -0.92199329 
O       1.72268003       3.29058004       2.63595002      -0.62524596      -0.89360918      -1.53586881 
O       4.07131998       4.19919999       8.74180995      -0.36385503      -1.17263414      -0.68611785 
O       1.96583000       6.09354999       8.87612005      -1.92565927      -0.14206596       1.67919089 
O       6.95273995       6.68083002       8.25526999       0.35816789       2.21107961       1.72627878 
O       3.38148995       6.31039000       3.87734005       1.91659312       1.99761089       4.09351288 
O       7.01442997       8.62303004       1.33126998       0.72382168       0.39940109      -2.19281505 
O       3.25450998       8.66676996       3.53858997       4.46030077       3.22915538      -4.49929239 
O       6.27394002       9.34923999       3.32179002       0.44616910       2.11754541       2.83415535 
O       0.87642101       6.30531002       3.45937005      -0.31484096       0.67577680       1.13582001 
O       9.10736998       3.74147998       8.79776996       0.51622053      -0.18525681      -2.88728917 
O       0.96660496       1.50055002       6.13619997      -0.71802565      -0.08183102      -0.91702072 
O       4.26092000       3.45729995       6.28376000      -0.16947927       0.91670868      -3.66752292 
O       8.86951998       8.98303999       8.59395999       6.75031240      -4.59873343       2.68431218 
O       0.74648401       3.35076003       9.71722999       2.01936350      -1.18456757       0.27133014 
O       4.00005998       6.26115002       1.32464004      -0.35950812       3.36202311       0.17821082 
O       4.31489003       3.71192998       3.41891002      -1.19183478       1.33961965       1.31963256 
O       1.41614998       6.69731003       6.47303002       0.37821722      -1.04214400      -0.61837822 
O       6.48525995       1.82352004       4.28525005      -1.63812846      -1.80143235      -0.74251610 
O       2.09134997       4.23586997       4.68465001      -1.07993997       1.81219395       2.42270377 
O       2.09969002       3.16474002       7.35247999      -1.94342959       0.79125106       0.11432878 
O       4.18246998       9.04018001       0.82102905      -0.24700750       2.59002093      -0.43342720 
O       8.70064996       1.57895002       1.19588998       0.40208613       1.07539277      -1.74372339 
O       8.97405000       1.57639000       3.56027003       1.89609793      -1.27034033       0.54853039 
O       3.45287999       4.17786997       0.68613602      -0.66159538      -3.59210109      -0.39825039 
O       4.30769004       6.83948997       9.18920004       1.46943444       1.30896110      -0.69409320 
O       9.65078005       6.23050996       8.36266003       0.87320778       1.23281628       1.99019821 
O       6.95157000       4.00485000       3.47812999      -1.70242283      -0.93211103       3.76800635 
O       6.47151999       6.07282995       0.55873198       6.83084303       5.83993931       3.57309599 
O       1.48585004       1.14284002       3.91272997      -0.74969427      -2.38181491      -3.69327809 
O       6.50103005       1.07473995       6.85108999      -2.39225300       1.58623872      -2.20679950 
O       9.75232997       1.12785996       8.87740000      -7.28275185      -0.61957334       2.73842044 
O       6.80163001       1.21856004       9.02946000       1.05791199       2.09799249       2.68250515 
O       3.61794003       1.33364995       0.99769603      -0.26218186      -0.03470936      -0.73174469 
O       1.12803004       8.90405003       3.95117999      -3.20583184       0.65993928      -1.21258452 
O       7.01351001       3.88198002       6.41624998      -2.23509906      -0.36690329      -1.38141676 
O       7.13254999       9.30650003       6.08704997      -4.15248539      -0.81682629       0.08042651 
O       9.46772000       3.64022001       6.22170998       2.42015595      -1.28743693       1.11509604 
O       3.86130004       1.55044004       8.55724995       0.54827903       0.36135979       1.44661673 
O       1.11621002       8.88412999       8.94543002       0.81580048       0.85508451       1.00363106 
O       4.56810000       0.68542296       3.35749998      -2.74795123      -0.69819717       0.11646061 
O       9.41625001       9.68574003       1.01816000      -1.67340284      -1.05367233       2.75118388 
O       9.32773002       8.85134003       6.20706003       3.20645785      -1.05390646      -0.37599938 
O       8.74342002       6.75383001       3.08505000      -1.16023896      -1.23694281       0.05570328 
O       4.64103004       6.05481998       6.62426003      -2.50951469      -0.08290815      -0.03614578 
O       4.30483998       9.46903005       8.83632002      -1.77195192       0.43993843      -2.79256797 
O       1.42432004       9.49140000       6.33983000       1.10989065      -1.34073877       1.70192699 
O       9.00735000       9.18990996       3.73910998       0.52077593       2.00724204      -1.93114477 
O       6.18793999       6.89783004       3.62682002      -0.96364822      -2.01405607      -0.58346885 
O       5.99485999       0.96581199       1.19409997       5.26637127       0.88840276       6.10458461 
O       6.43441997       3.58415000       0.93870204       0.05880677      -1.59829436       0.82189328 
O       8.84668004       4.33391999       0.54699795       0.83720153      -0.60707775       1.18980263 
O       6.64717998       4.34144998       8.92421996      -0.15274688      -2.88503615      -0.60725599 
96
Lattice="10.48802688 0.0 0.0 0.0 10.48802688 0.0 0.0 0.0 10.48802688" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015547357386579587 0.0199325668315232 -0.0056150273341948895 0.0199325668315232 -0.014124593129252084 0.005375727874308525 -0.0056150273341948895 0.005375727874308525 0.005162599180775663" pbc="T T T" energy=-930.57809695 free_energy=-930.57809695 config_type=crystal 
Hf       0.12217901      10.36120000       9.87736005       3.69173637      -2.16312376       1.13401441 
Hf       5.30619003      10.18499999      10.05799995       2.77752017       1.75931983      -0.08453261 
Hf      10.42169997       7.69566996       7.38765003       1.97478111       1.33265918       0.42675529 
Hf       7.62542000       2.25227000       4.76882003      -0.37895603       1.30778165       1.54748887 
Hf       0.42730602       5.39498995      10.03910000       1.54651886      -0.09341777       3.91137470 
Hf       0.05070814       7.78867998       2.09325001       1.72465559       2.33987199       2.54578843 
Hf       2.57800001       5.17474999       2.61796002      -0.63553605      -1.22601158      -3.27301055 
Hf       7.83233000       4.74570001       2.40225004      -1.38462134       2.57377712       0.59883644 
Hf       8.33131004       7.81554999      10.10820005      -4.64660158       2.35078031      -5.36950704 
Hf       5.60327996       7.79974999       7.90772003       2.34889642      -2.07326639      -3.85527784 
Hf       5.05958998       7.90057003       2.20464995       3.02943883      -1.73253690       0.27606023 
Hf       5.39442003       5.30253999      10.36710003       0.65333933      -1.54900926      -0.37717399 
Hf       2.92316003       7.86623003       5.26940002      -0.58948697      -2.57264536      -1.53907044 
Hf       0.09432984       5.08404995       4.92248997      -0.16606192       1.71318667      -1.43749553 
Hf       5.53925003       5.56469996       5.07590002       1.79289011      -0.57196691       0.69716594 
Hf       2.73173004       5.02706997       7.52946997       1.58825539       1.95927883       2.85473477 
Hf       2.92253001       8.07700004      10.19789995      -6.47917409      -0.48406574       0.58416930 
Hf       2.90119999       0.00944174       7.49687004      -3.46602644       1.77461146      -0.25168001 
Hf       5.22206001       2.55020002       2.30309005      -0.60647671       1.86108775      -2.08115400 
Hf       0.25577896       2.62456999       7.71826998      -0.65534174      -3.73055451       0.52187001 
Hf      10.44968958      10.23530004       5.03652996       3.20542511       2.71124048      -4.21760049 
Hf       8.49524000       4.76133001       7.74756996      -4.00675181       3.22662097      -1.20586550 
Hf       7.34114004       0.34275795       7.49895999       0.64112056       0.94354797       0.07811128 
Hf       7.85225997       2.64123001      10.17570005       2.22491354      -1.88648622      -0.69132156 
Hf       8.12715997       7.63366002       4.89420995      -1.31089345      -0.14657980      -1.53593446 
Hf       2.79027998       2.68543998       5.08130995      -0.00090122      -1.31698864       2.63414651 
Hf       5.39030002       3.35010002       7.59843997      -1.03229012      -1.92891056       1.19367860 
Hf       5.12480002      10.39270005       4.77136998       0.65694142      -1.75024730       2.37601806 
Hf       2.47266005       2.59809003      10.40479998      -1.40737484       2.94208273      -2.23500475 
Hf       2.34917004       0.08736044       2.55649001      -1.70162271      -2.78494955      -3.26756638 
Hf      10.28799997       2.53328001       2.47351000      -1.03228110      -0.28051726       0.23344195 
Hf       7.87361003       9.92762003       2.14318005      -0.24327379       3.11610174      -0.23480974 
O       4.00399997       0.46271895       8.93547996       2.55568112       3.69064090       2.03322336 
O       7.13009996       6.62536000       8.84594997      -1.38815070       1.34558781       0.84587502 
O       9.00795999       6.15064002       6.05385000       2.45101401       0.85501174      -0.01114933 
O       6.82180997       6.96727995       6.13302999      -3.86398254      -0.68308083       2.15907868 
O       3.93308004       1.82780005       6.51829004       0.02459534      -2.15836229      -0.28148220 
O       3.82367995       9.50403999       6.16338003       6.59774919       0.23644844      -2.84114934 
O       0.56956195       1.92936001       0.91333797       1.55509333      -0.99590674      -2.66949427 
O       1.44325004       9.27927004       0.71041195       1.29066797       1.44277861       1.37345771 
O       8.95877995       3.68143997       4.15943997       0.67898156       1.22223503      -1.85801544 
O       9.41500996       7.02678000       0.78783803       1.05871083      -4.50925700       1.08473218 
O       8.60716004       2.02690003       6.82225005      -0.57694574      -2.01861312      -0.36085325 
O       1.40649003       6.90841999       1.07292997       1.83846813      -1.88249293      -0.86474481 
O       1.25766996       3.59881005       4.01169996      -2.13692600       0.26896509      -0.52679440 
O       3.62471998       3.34117995       8.68882003       1.00496549       0.57497407       1.41802730 
O       9.57655001       6.34019002       8.86275997       0.47833708      -0.79377586      -2.06038793 
O       4.97706998       5.50817999       8.26802004      -0.87756356       0.38262539       1.55684755 
O       4.10889995       5.93382995       3.72799999       2.42361386       3.54405839      -0.36889619 
O       6.83541997       8.59153005       1.02019995      -0.86896734       0.51183614       0.39322833 
O       3.78078004       8.91957004       3.35062002       0.23179113      -0.72637116       0.93094694 
O       6.54633995       8.61345002       3.85434998      -3.27636061       3.29768759      -1.56155030 
O       1.75281999       6.12731999       4.00949003      -1.29977689       1.38979740       1.09926148 
O       9.32181000       3.53227002       8.92731996      -0.39748755       0.37300504       2.32244079 
O       1.19829000       1.47339997       6.03660999      -1.86152252      -3.19836397      -0.15375075 
O       4.06684003       4.17520002       6.34559996       0.25762274       1.71894880      -4.44467218 
O       9.17418001       8.76864996       8.40381996       0.10757571       1.18846158       2.20622679 
O       1.27225000       4.39653000       1.07064002       1.67575651      -1.21968811       1.70269496 
O       4.05283002       6.81058998       0.71253798       1.57318101      -1.11335813       0.30040353 
O       3.57936000       3.69780999       3.37473996       1.68656746      -4.41363058       0.69799157 
O       1.37449997       6.66662000       6.26889997      -0.43551087      -2.71728963       0.59501298 
O       6.08663998       1.36335005       3.61245004      -0.88469177      -1.76279678      -1.09507428 
O       1.84964000       3.39684002       6.96481002       1.23318973       1.84255044      -3.44815311 
O       1.20451003       3.82467998       9.12646001      -0.01855550       1.38176603       0.01537464 
O       4.20395001       9.19038002       0.87601402      -0.25898868       0.77501110       0.74282176 
O       8.46159997       1.60772002       1.80699998       0.22085770       0.37831740      -0.46823038 
O       8.85909000       0.81828802       4.23599995       0.22614300       0.16636095       1.19749724 
O       3.98928999       4.27405995       0.77862996       0.17503086      -1.60635785       0.62135861 
O       2.13537003       6.58271998       8.85739996      -1.19415789      -1.68266802       1.22207420 
O       6.87886001       4.02077997       8.98208005       0.03587481       0.55881184      -0.73301138 
O       6.17031000       3.81729002       3.64706997       1.07850455      -0.27187361      -1.78527672 
O       6.52120005       6.05913995       1.31612005       0.37407549       0.51546446       0.28785937 
O       0.66012700       0.81076402       3.13560005      -0.45638394       2.16262669       0.92135396 
O       6.26583998       1.21688999       5.89541997       0.72692606      -0.32479496       2.30915345 
O       1.80615999       1.11752999       9.17176000      -2.41898942       0.77949269      -0.83282797 
O       7.04476004       9.29623001       8.94682004      -4.25893563       1.26817147       0.69135064 
O       3.20017000       1.64546003       1.38602998       2.16116514      -1.75243173       2.81432333 
O       0.96204405       9.08333995       3.53048999       0.92062603      -1.13258249       1.23390295 
O       6.66728001       3.92340001       6.04330995       0.65505312       1.20392820       1.59412225 
O       6.40513996       9.37267001       6.45703996      -0.47290034       0.07449109       0.82514974 
O      10.00640001       4.10407001       6.70637004       0.89810202       0.96938482      -1.99774610 
O       6.35672995       1.64627999       9.01240995       1.21739182      -1.61336553      -1.85625413 
O       1.16622999       9.13810004       8.65719999       0.00589890      -0.54760829      -1.30253744 
O       3.10263995       0.53396097       4.19942998       2.46149713       3.65185470       2.06926681 
O       9.34821004       9.40566995       0.74967703      -1.11332999       0.90833018       0.95397711 
O       9.42586003       8.98457001       5.98917003      -0.77671544      -2.25062620       1.20962156 
O       9.88790995       6.13747995       3.12685996      -1.59707859      -0.37833035       2.24156383 
O       4.16667996       6.87762998       6.58536999      -0.53648025       0.63203384      -2.20419644 
O       3.78519005       8.89284005       8.67750995       3.45299131      -4.06726602      -0.90129281 
O       1.87994001       9.04870996       6.21511999      -7.40280812       1.62368474       0.99463636 
O       8.89726998       9.02817996       3.44951005       1.72979267      -2.09776913      -0.08295749 
O       6.94558001       6.30314002       3.78470005       1.44642589      -1.84661721      -0.36859318 
O       5.95458995       0.83229405       1.02027001       0.19795554       0.98178670       1.21802821 
O       6.71180001       3.65014002       0.88002800      -2.65908816      -0.39888233       3.01800851 
O       9.21077997       4.37568001       1.03071997      -0.36333140      -1.27448903      -0.02222042 
O       9.40176998       1.17047995       9.39169004      -3.42500568       1.90084939      -1.75623137 
96
Lattice="10.48983333 0.0 0.0 0.0 10.48983333 0.0 0.0 0.0 10.48983333" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01266439595771188 0.011307697612610176 -0.00031896406636169037 0.011307697612610176 -0.01620432584207635 0.006956163418759081 -0.00031896406636169037 0.006956163418759081 -0.019561956274427746" pbc="T T T" energy=-927.18827786 free_energy=-927.18827786 config_type=crystal 
Hf       0.07573712       0.09114857      10.12580003       1.43340205       2.94711933      -3.85288990 
Hf       5.88644005       0.17921702      10.38510000      -2.53329801      -0.51540129      -3.66769696 
Hf      10.31189995       7.96220005       7.48510995       4.09523165      -2.35613650      -2.11751279 
Hf       7.95763005       2.45007995       4.72894002       1.77982389      -0.30103144      -0.26525922 
Hf       0.09949638       5.46178002      10.35389999      -0.69934076      -1.95648388      -1.98418886 
Hf       0.39859804       7.35032996       2.36567004      -3.19663469       3.70104367      -0.90505159 
Hf       2.60242999       5.08905998       2.45832999       1.57465871       1.01999680       1.72332648 
Hf       7.77256002       5.14532000       2.60113995       0.04694500      -0.94294705      -2.46452632 
Hf       8.25770998       8.17481995      10.08919995      -0.95096717      -2.68603368      -1.37995891 
Hf       5.45210996       7.36678001       8.01066004      -0.90567764      -0.26101238      -0.32352866 
Hf       5.34374002       8.05904995       2.07963002      -0.15130775      -2.05144848       1.88365891 
Hf       5.65676000       4.94287996      10.31059995      -1.59305686      -3.28038471      -4.01406007 
Hf       2.35863997       7.59801999       4.94438000       2.31576130       5.39557029       0.26583158 
Hf      10.32580003       5.29752003       4.77592996       3.73021665      -6.28202184       6.28731411 
Hf       5.21441999       5.46659003       4.87077998      -1.34388817      -2.05865955       2.00225701 
Hf       2.47336004       5.35616995       7.65976001      -1.00912048      -0.64290228       0.54986363 
Hf       2.89412005       7.86450005      10.44599999       0.10465809      -2.94052186      -2.16231669 
Hf       2.98139001       0.08150527       7.75192001      -2.34125978      -3.27634172       3.59467436 
Hf       5.20679000       2.54031004       2.22200999       0.33823377      -1.12451425       1.33338509 
Hf      10.47999995       2.63326999       7.26472002      -0.06370105      -0.58165938       0.19559129 
Hf       0.05911535      10.26319996       5.03263003       1.22034374      -0.04132212       0.54959638 
Hf       7.99666996       5.12806999       7.34315995       0.73175339      -0.95494160       2.86071316 
Hf       7.84318995      10.43489996       7.54177005       1.35093959       3.00347062       0.20512382 
Hf       8.24342000       2.64895995       0.05987272      -1.23820035       0.93932927      -3.76815407 
Hf       7.68042005       7.95592996       4.69090000       1.44715623       0.81171300       2.13330085 
Hf       2.44025003       2.44219999       4.74023998       0.86657672      -0.79694783       1.90184344 
Hf       5.07234999       2.72860003       7.41181003       3.06230682       0.88771073      -2.13581340 
Hf       5.16206995      10.41600001       4.84924005       0.45233847      -2.45199802      -1.32162758 
Hf       2.63471004       2.70424998      10.07069998      -1.23054794       2.22441254      -0.72393886 
Hf       2.67367001       0.22918901       1.96879003       1.33932281      -2.52894698       3.99343699 
Hf       0.23122100       2.46916001       2.50248002      -1.55037350       2.00106868      -0.72409973 
Hf       8.08458000      10.20789997       2.36493995      -1.43677133      -0.67248175       0.98922476 
O       4.41356003       0.81996898       9.00553996      -2.94936352       2.15145757      -0.88151217 
O       6.98146997       6.63437995       9.48034999       0.11126249       0.72766835      -4.18176754 
O       8.66194001       3.58379995       6.37289998       0.80483757      -0.01050860      -2.69184952 
O       7.04114999       6.86689005       6.58225996      -0.38605258       1.09340005      -1.83038552 
O       3.70988995       0.49910700       6.13079001       3.08781136       2.38801988      -2.73855171 
O       4.54824005       8.60748005       5.60019998       0.61038929      -0.73433463      -1.31259764 
O       1.32594997       1.49534997       1.06195999       4.28823903      -4.35368468      -0.09800714 
O       1.84996005       8.64348000       1.50347005      -1.36271995       0.85266622       1.69767189 
O       9.39369001       3.73838002       3.69277001      -2.17225721      -1.41914633      -0.02796892 
O       9.15210999       7.03360004       1.08238003       1.62824919       0.25034036       2.51362544 
O       9.27892998       8.80855001       5.98897995      -1.13151604      -0.19432830       0.55125697 
O       1.15421000       6.06544003       3.63076996       0.83074180       1.56667035      -1.81796484 
O       1.12215003       3.65446995       3.90496004       2.26136419      -0.35482289      -2.19433362 
O       4.07800002       4.03863996       8.39112996      -1.48733468      -1.78813916       1.69098134 
O       9.62002002       6.87839005       9.32302997       1.38616801      -0.39578898      -2.87951726 
O       4.43697995       6.38636998       9.57895998      -0.93666782       1.09302406      -0.75880631 
O       3.88535003       6.47514995       1.78163997       0.47480062       2.44882291      -0.14943988 
O       4.52809999       8.88400999       0.62067400      -2.22098137       1.44365323      -3.13721115 
O       4.11725004       9.61594997       3.19252004      -0.02587173      -1.87883032       0.53074875 
O       6.68899002       8.99151001       3.33354997      -1.12913628       0.95543056      -0.01098253 
O       9.77634004       6.30086000       6.45960999      -2.33968276      -0.82201405       0.82349140 
O       9.53043003       3.84483997       8.50428998      -0.45654158       2.35791050       2.61103731 
O       1.42145004       1.42782996       6.00702005      -0.51134525       0.75423115       2.55697991 
O       3.89219003       3.32228998       5.71499001       1.39202954       0.38219704       1.30230806 
O       9.39027001       9.50537002       0.80401604       1.02036614       2.24816419       0.20200152 
O       1.60542000       6.08836000       1.01313003      -2.29451884       4.46314212      -0.60993605 
O       6.86388995       9.08279003       0.77497504       0.26999665      -0.27108766       2.54650499 
O       4.24102996       4.16698999       2.90251003       2.29656669      -0.65894320       1.40644654 
O       1.74367003       6.67853995       6.34051000      -2.89224575      -0.01882676       1.50716730 
O       6.37229000       1.06520995       3.35412001       1.20890418       0.70117306       0.35631565 
O       1.05938002       4.24919997       6.32325999       0.30059590      -1.35130297       1.50666372 
O       1.53408001       4.33717002       9.24136998       0.74609432      -1.19154080      -0.09750141 
O       4.56360000       2.89406005       0.38070196      -0.36727829       2.03182870      -1.02007056 
O      10.18440001       2.43926000       0.37215495      -3.54064024      -0.41921926       0.16736178 
O       9.41104995       1.11310999       3.21674998      -0.93741247      -0.50188178      -0.54989143 
O       7.00697002       3.44347000       1.48911996       0.40167505       1.16153135       0.83617453 
O       1.84755001       6.94743004       8.77510003      -0.45419346       0.04620985       1.03640194 
O       7.02995996       3.70890002       9.36348003      -0.40880697       2.50609882      -0.40748461 
O       6.87598001       4.11922999       4.12265996      -0.99687929       1.42312300      -0.87366515 
O       6.38169004       6.05688998       0.94840199       2.60127982       2.50200149       7.43702242 
O       1.55726999       0.63055395       3.89252004      -0.84334297      -0.08040653      -4.03440899 
O       6.42485004       2.46142995       5.72096995      -3.15822484      -3.32028581       3.19878343 
O       1.36948005       1.49976997       8.68334001       1.79898840      -0.02842389       0.89781003 
O       6.89635997       9.30443999       8.72483999      -2.11303538      -1.92006944       1.66650444 
O       2.00442998       3.91659001       1.05421000       0.10883069      -3.68472766       0.50320956 
O       0.66352402       8.45976001       4.23188000       2.28291473      -2.08906790      -3.06885054 
O       4.10097002       5.99057000       6.83421998       3.55172425       2.10368704      -1.05199725 
O       7.25468995      10.08319998       5.66720001      -2.85934691      -0.50900222      -1.28176279 
O       9.59320004       1.25299003       5.96857995      -3.30316575       0.64479906      -0.31718232 
O       6.76248998       1.38399001       8.78900997      -0.38888142      -1.05287579      -0.60568383 
O       1.85478002       9.39333000       9.55016004      -1.68146020       2.37433053       0.24972076 
O       3.49065998       1.70396003       3.16559001       0.00922213       1.52341148       1.44942569 
O       9.05701997       8.79123004       3.52612999      -0.22745234       1.25902985      -1.98822339 
O       9.23891001       9.21297001       8.46403997       0.94002998       0.59085829       2.96986556 
O       6.18158997       4.54783997       6.84702996      -0.59842674      -0.06888313       0.07144849 
O       3.23768003       6.01943005       4.45222996       4.47322603      -2.62863349      -1.80278881 
O       4.36456003       8.97950996       8.13664996      -1.74167972      -0.57460665       0.57186022 
O       1.22013996       9.35486001       6.37891003       1.26634645      -0.47571329       2.81004181 
O       9.04521995       6.09707002       3.83305003      -4.95336975       5.62495238      -2.28142740 
O       6.39776005       6.53473996       3.35672002      -0.62665129       0.26311542       3.00055874 
O       4.45143997       0.76086695       1.50051999       2.43154143      -0.27873607      -4.60044918 
O       7.27465001       1.07585000       0.91261099       1.56912555       0.06990720       0.35108298 
O       9.61584003       4.70449000       1.45299003      -0.33132441      -1.26985948      -0.74929322 
O       9.22396997       1.12116996       8.51987001       2.02896291       0.11553933       2.37252128 
96
Lattice="10.49170258 0.0 0.0 0.0 10.49170258 0.0 0.0 0.0 10.49170258" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.022825831831037043 -0.021094226417512338 -0.0030197315496865848 -0.021094226417512338 -0.020244860434802822 0.00035553505937165156 -0.0030197315496865848 0.00035553505937165156 -0.01843670729963007" pbc="T T T" energy=-932.45835773 free_energy=-932.45835773 config_type=crystal 
Hf      10.22699997      10.35589998      10.18710002       0.88885738      -1.54026854      -0.13126497 
Hf       5.48650000      10.35790001       9.88717005      -0.85535901      -0.47787891       0.90415837 
Hf       0.06988607       7.33899999       7.49976004      -0.99228503       2.44240780      -1.15049901 
Hf       8.53677000       2.40201005       4.82220998      -0.94519579      -2.63411377       1.61483988 
Hf       0.60010000       5.45733002      10.09039999      -4.03992400      -2.72957513       0.76370984 
Hf       0.07338925       7.54750999       2.43862000       1.36137532       1.68970314       0.01205412 
Hf       2.61563003       5.22897004       2.46998998       0.13473081      -0.62740082       0.60508311 
Hf       8.19242005       4.95508005       2.48182001      -2.07812594      -0.91373787      -0.55092232 
Hf       7.99490997       7.32179003       0.12761603       1.40514105       1.49142042       0.50701308 
Hf       5.53965998       7.66293005       7.82493001      -5.73848404      -4.73811191       0.16041031 
Hf       4.90583997       7.94224005       2.52531997       3.86777542       3.48435107       1.02529573 
Hf       5.13092004       5.05974999       0.16475404      -0.80913896       1.77879874      -4.00253040 
Hf       2.75950002       8.15915998       4.95398996      -2.00740316       0.53640833       4.79366956 
Hf      10.39699996       5.04564002       4.99894995       1.70210450       3.17637895       0.75229394 
Hf       5.22697000       5.57359005       5.03665996       0.48929337      -1.90510300      -1.38888118 
Hf       2.77798997       5.24503997       7.54696001       1.98553761      -0.66894117      -0.39686878 
Hf       2.66359998       8.35473004      10.27749999      -4.17223345      -2.75050198      -3.15535218 
Hf       2.39159000       0.18141801       7.59306003      -0.78082140      -0.67845213      -1.96781338 
Hf       5.39483997       2.81247997       2.44730997       1.47445284       0.57773502       2.25423406 
Hf      10.37309997       2.32270002       7.70949002      -0.93881296       3.63586474       0.20790292 
Hf      10.31910001       9.95463002       4.84562001       2.89013488       1.65916247       0.45953495 
Hf       7.69041998       5.29263998       7.67095001       2.26809163      -1.05233340       1.89689222 
Hf       7.74273004       0.00895845       7.52803004       1.55918088       1.56039950      -2.14098322 
Hf       7.57440998       2.72017995       9.87905996      -0.03863104       0.83795507       0.96908264 
Hf       7.89764003       7.80693003       4.90154005       3.96160023       2.24640835      -4.91095378 
Hf       2.50013999       2.73369001       4.91048003       3.65070095      -3.28192064      -2.35044099 
Hf       5.38293997       2.82214996       7.23125996       0.54173114       0.88900806       1.47410899 
Hf       5.19213000      10.40729998       4.80893997       0.51049055       1.87077166       3.13220736 
Hf       2.84671996       2.43594997       9.94334000       2.02608731      -1.47168232       0.61397557 
Hf       2.93799000       0.22719897       2.38182002      -3.32851663      -0.09583149       1.49102362 
Hf       0.24274998       2.58852996       1.96716003      -1.35630000      -1.95628274      -0.72500267 
Hf       7.87117995      10.49106542       2.29028002      -0.24749083      -0.73253262      -3.15924454 
O       4.01210995       0.85192803       8.25420002      -0.21879725       0.90048280       2.06174169 
O       6.98142996       6.67269000       9.09513998      -1.05962469      -0.41927582      -2.42919427 
O       9.57766000       3.69322997       6.05099997       0.01272763      -3.16370830       1.04430564 
O       6.89125997       7.28121001       6.25238002      -5.08853615      -2.74706069       6.36587559 
O       4.72760000       1.50379000       6.00412997      -0.50999451      -0.12087900      -1.85996012 
O       3.96765996       9.36688998       6.35246005       1.07775745      -0.97442522      -1.25376122 
O       1.90607996       1.37332998       1.20215995       2.08472833       0.29792294       0.10511011 
O       1.19474998       9.27090003       0.65364996      -0.42908937      -0.46738525       1.63445432 
O       9.42923000       3.98359004       3.55726999       3.05826340      -4.86789398       1.76827048 
O       9.65742998       5.97457001       1.62012000       1.28034282       2.61263099      -2.61221815 
O       9.56307999       8.37703005       6.00782000       0.54596717       1.29959655      -0.13247856 
O       1.20210004       6.21587005       3.57615998      -0.84274058       0.44202033      -1.19153035 
O       1.78564004       3.39843002       3.01341003      -0.29840414       1.04314600      -0.09330982 
O       3.92153005       3.69983995       8.71556005      -2.02792607      -1.87569452      -1.21262000 
O       9.57133004       6.79225995       9.19318001       0.95121495      -1.12578157       1.38902120 
O       4.51749002       5.91008004       8.88695995      -0.83125193       2.49045854       0.25615754 
O       4.50741001       6.44644997       1.51377002      -1.98774527      -3.59779090      -3.01928244 
O       3.66217999       9.12918000       1.15128999       3.15150565       2.06410964       3.56765804 
O       3.95198998       9.28980996       3.82030001       0.73072359       0.62697823      -1.85514787 
O       6.32325997       9.65241999       3.23284000      -0.35730932       0.27483329      -2.05396869 
O       9.23162004       6.02325004       6.55496995       2.14225828       0.60847538       0.81958910 
O       8.79134004       3.93908004       8.89581002       0.11540907       2.14603913      -1.87608290 
O       1.45372999       2.18534999       6.40417995      -0.13309298      -1.86963674       2.80500474 
O       4.13538997       4.18576001       6.30861995       0.14562556      -1.93079430      -1.32973800 
O       9.15399004       9.14615998       1.09344996      -1.20508959      -2.84505183      -1.73860716 
O       1.59628999       6.70666004       0.96752299       0.93114091      -0.80909686       1.06913980 
O       6.63089001       8.64492004       0.36913104      -1.83860161       1.74651384       0.77519928 
O       4.10962004       4.23617998       3.43117997       0.21780961      -0.12152402       0.16980611 
O       1.55959001       6.67323001       6.19610997      -1.68519371       0.34649022       1.73527848 
O       7.21139004       2.01956000       3.37900001      -2.98967207       0.60610169      -1.05521367 
O       1.90657003       4.43227001       5.20307001      -2.51956102       3.01882714       1.82213614 
O       0.61918000       4.16039002       8.29377996       3.12997468       1.82707351       0.28278734 
O       3.56320000       3.79535998       0.58474497       0.99934981       4.83068752       4.59794011 
O      10.17339996       0.69118099       1.43717996      -0.89204107       2.92548804      -0.85452855 
O       9.15981997       0.64057604       3.44983002       2.71823634       3.69306961       5.64857888 
O       6.02772003       3.43312996       0.65368500       1.98146509      -0.20717778       1.58787001 
O       1.71992998       6.59531999       9.03154998       1.67926907       0.53296548      -2.66811084 
O       6.42091999       4.11789002       8.64790000      -1.07972211      -1.88551634       1.44835998 
O       6.43993997       4.57585001       3.54800004       0.59618534      -1.29594066      -1.01347276 
O       7.08332003       6.00386001       1.27770000      -1.63781755       0.52556026      -2.41040077 
O       1.59552997       0.98414300       4.19003999      -0.15936847      -0.06452912      -1.83548718 
O       7.49661998       2.12689001       6.57891999      -1.49325614      -0.31703564       0.37106738 
O       1.40481002       1.57130001       8.96413996      -2.65184282      -1.39620420      -1.80514637 
O       9.32144003       9.38174004       8.39857004      -1.50360207       1.48115099       0.60711602 
O       1.00913004       3.63742995       0.54919499       1.86732109       2.53261492      -2.29117429 
O       1.73438996       8.99146003       3.50813000      -3.43168135      -0.57688479      -1.53742414 
O       3.98842000       6.43664999       6.46344999       1.72864552       3.40195130      -0.75638973 
O       7.02095997      10.05960003       5.48404001       1.56365897      -1.18346734       2.82712082 
O       9.45137997       0.80664501       6.19341004       0.86093689       0.30750899       0.06500789 
O       6.19540997       1.26675002       8.76550003       4.61091104       0.97301265      -1.89348543 
O       4.24446004       8.83360996       9.12985997       0.02999204      -0.42120909      -0.25788486 
O       4.22672004       1.45576003       3.53512001       0.06962504      -0.43255250      -2.16086768 
O       9.31638995       8.83072002       3.52315003      -0.20313654      -1.88728140      -0.36944539 
O       1.39266000       9.49936997       8.83462996       1.17891980      -1.16306531       0.03832816 
O       6.67467000       4.61775995       6.14090001      -1.27690857       0.02125079      -0.63588299 
O       3.74066002       6.93174000       3.74070996      -0.24733723      -3.16854728       0.47512128 
O       6.50655001       9.09194001       8.21999004       3.32866299       5.81230795       0.98157104 
O       1.48481995       9.57726005       6.13465997      -1.07388730      -0.95410414      -1.13411772 
O       8.96271004       6.23809997       4.07294000      -0.35129921       0.98112469      -1.05612065 
O       6.39564999       7.22817005       3.74091004      -1.68479225      -1.06134743      -0.13776477 
O       4.56494997       1.45261997       0.17619398      -1.92251155      -1.17471787       2.32137517 
O       7.11039995       1.11937003       0.77899202       0.09682961      -1.51454130       0.08576383 
O       9.15285001       3.50772995       0.98217297      -3.00241205      -0.08393691       1.44123338 
O       9.17235996       1.70020002       9.31413004       1.36022519      -4.26844020      -1.24390509 
96
Lattice="10.49362752 0.0 0.0 0.0 10.49362752 0.0 0.0 0.0 10.49362752" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002905222070757606 0.002735474605672139 0.00744518326203253 0.002735474605672139 -0.011429788858644168 -0.0073478450297956065 0.00744518326203253 -0.0073478450297956065 0.005303637101980112" pbc="T T T" energy=-925.62844799 free_energy=-925.62844799 config_type=crystal 
Hf       0.09515642      10.47856087       9.93689997       0.05956458       0.92290089      -0.86726151 
Hf       5.10858005      10.38889996       9.91604997      -1.54152816      -0.06814664       0.02511694 
Hf       0.36318802       7.48638001       7.90821995      -3.68716021       3.14852381      -1.36502877 
Hf       7.98828004       2.71723995       5.18172000       3.43973459      -1.53530537       2.82282714 
Hf       0.06080931       4.71468002      10.01519996      -0.35100184       3.87383807       1.50714890 
Hf       0.24475998       7.71343000       2.26431001       0.94405190       0.35736161      -0.31052571 
Hf       2.90716999       4.76092995       2.34504001      -0.01483060       0.99893426       3.10761200 
Hf       7.99468996       5.41106002       2.67482996      -1.28134573      -2.95189213      -0.52565203 
Hf       8.05059004       7.99849002       0.33917104      -0.05772548       1.45697407      -4.13830457 
Hf       5.40059997       8.19290000       6.77354999      -3.77745517      -4.12319504       5.07036363 
Hf       4.86576003       7.60614000       2.54674002       0.57126998       0.49477789       0.24489750 
Hf       5.11910002       5.30046002      10.33219996       2.14250965       1.11197564      -1.42158623 
Hf       2.25296000       7.83206004       4.92643995       1.38902572       0.37775783      -1.56982279 
Hf       0.00626522       5.30884002       5.08457000      -0.20110810       1.02059996       3.67562076 
Hf       5.56957004       4.77014996       4.69586001      -1.43197182      -0.73916523       3.29435211 
Hf       2.98513995       5.73161998       7.39998996       4.28883828      -1.85691714       0.51023224 
Hf       2.74688004       7.98253005      10.20050000       1.06210302       0.07565182      -3.04196282 
Hf       2.62469004      10.30960004       6.97288998       1.79480264       3.94098691       3.72924159 
Hf       5.13407998       2.08572002       2.41908997       2.70924234       1.45934818      -3.49928736 
Hf       0.16274798       2.32253002       7.31576003      -0.90322092      -0.21382780       0.16032773 
Hf      10.46223877       0.06483666       4.76405002      -5.73519471       2.63415343      -0.32635453 
Hf       7.48719998       5.53461996       8.02060996       1.54634774       1.50535674      -0.25884717 
Hf       7.69189005       0.28904603       7.79869996       2.91917994      -1.36988119       0.54434310 
Hf       7.90549004       2.77199003      10.22860004       0.64523819      -2.32346642       0.23452381 
Hf       8.18313001       7.99606998       4.78318001       0.14182833      -0.53748108       0.42886442 
Hf       2.55854997       2.29806004       4.91088997      -0.00810489      -0.71389829       0.97141320 
Hf       4.94697997       2.60888003       7.64396995      -0.34137006       1.44412015      -2.34360848 
Hf       5.95062996      10.34330001       4.75036003      -5.47563692       1.34824291       0.16513672 
Hf       2.73500000       2.64599001      10.15309997       2.55640156      -3.55339434       0.39352345 
Hf       2.68092004      10.43913537       2.20781998      -2.24052510       3.56756578      -1.82218287 
Hf       0.15162400       2.85177004       2.31270001      -1.07731757      -2.66890342       2.15731618 
Hf       8.09080005       0.32044905       2.09235996       1.25657866       1.43763265      -2.00754983 
O       3.68772001       1.66579999       8.80889000       1.17037665      -0.68299389      -0.39001474 
O       6.38726004       6.98227003       9.59461998       1.51439730      -1.85356548       1.18886784 
O       1.50301003       6.44583999       6.27583997      -3.13408066      -2.26824224      -0.78732344 
O       9.46576999       3.81848005       6.32246001      -0.40127206       3.07240103      -0.08723205 
O       4.03801996       1.43520997       6.37345998      -1.03124980      -0.69141628      -1.32219898 
O       6.83581005       9.03411000       5.94704996       5.14299489       1.37200032       2.59731184 
O       4.26525999       8.73491003       0.91606703       1.05889730       1.64070594      -2.80677576 
O       1.72708004       8.96016005       0.94436897      -2.04323207       0.03301611       2.37951913 
O       8.85463004       4.47269004       1.05470999       0.37858147      -0.74984900       1.57858161 
O       1.44800003       3.58439996       0.75934197      -2.10318207       3.58374917       7.04316818 
O       9.52831001       9.67949003       6.38126000      -0.31917050      -1.89275129      -2.17595203 
O       1.68029001       6.28897998       3.19855998      -0.61319282       1.30933430       0.10945458 
O       9.83687996       4.32560003       3.68647001      -3.98024682      -0.41617789      -3.95610668 
O       4.13780995       4.42102005       8.87694002      -1.61396063      -0.92070780       0.01946755 
O       9.12730003       6.70443004       9.53954995       0.03308647       0.39438827      -0.40455388 
O       3.43114998       9.65435002       8.77600003       2.26140961      -1.02205057       2.36279682 
O       0.66057102       6.45863004       0.72089395      -0.29907982      -0.01648485       1.92087146 
O       4.06010002       5.99583997       3.82999996       0.82512651      -0.23453833      -2.53663395 
O       3.47155002       8.96078001       3.04804999       0.55075266      -4.20750203       4.23986281 
O       6.23582997       8.56468996       3.99734005      -2.20585942      -4.75075477      -4.40790694 
O       9.21843005       6.46181003       6.74702997       0.47187523       0.24791691      -0.01291098 
O       8.87497005       4.15871997       9.22780998       2.54449182       0.02586279      -3.36787136 
O       0.03267243       2.19801002       5.08383996       1.86781306      -2.05010530       1.01734617 
O       3.91597005       4.04044000       6.25892004       0.39274552       2.31046715      -0.35453990 
O       9.57322998       9.52486999       0.96664904      -0.63810578      -2.33754289       2.03198943 
O       8.38332996       7.24071002       2.38653003       1.89774694       1.35206964      -2.53310117 
O       6.80932004       9.67876995       0.94360997      -0.22281297      -1.92008215      -2.04169393 
O       4.24153002       3.11408995       3.81565999      -1.18191316       6.02280575       0.65339133 
O       1.68035003       8.73356002       6.60377002      -1.65348884      -3.00478039      -2.00102817 
O       6.44417003       0.63866295       3.12745002      -0.24420507       0.76215153      -0.47337868 
O       1.96180003       2.75855998       6.76749003      -0.68569768       0.35788194      -0.99776090 
O       1.24603002       3.43269002       9.11261000      -1.95705363       0.22401263      -3.70248398 
O       4.21643996       3.56559003       1.04673997      -0.78059037       2.96964634       0.21581224 
O       1.89818000       0.93527005       0.45851496      -2.99633274       0.09897824      -1.06813376 
O       8.84064004       1.54695000       3.48906997       0.47309217       0.99973906       0.33902418 
O       6.04982003       5.90068995       2.00056003       1.97569068      -0.98789944      -0.20288503 
O       1.41371000       6.30972998       8.99079997       1.83435170      -1.76269608      -0.92041029 
O       6.66392999       4.19277998       9.31417002      -2.44408148       0.13197466       0.91769554 
O       6.78716999       3.35102001       3.73701005      -0.86863037       2.04098965      -1.34425018 
O       3.92821999       6.43354995       0.95147095      -3.32640194      -1.16308681       0.41048428 
O       1.12306999       1.20906002       3.07889002       1.00983537       1.13020503      -2.37229492 
O       6.46070001       1.16960000       6.05940995       2.34539110       1.61970203       1.11722102 
O       1.11106004       0.56475203       8.22872000      -1.07406288       5.03111464      -2.53540110 
O       8.85200999       9.47573998       9.08450995      -1.34421888      -1.60427721      -0.04322112 
O       1.55520996       3.70511005       3.82937999       2.57848725       2.19985712      -2.14667631 
O       0.90051998       9.26270004       3.58560001       1.04470598      -2.98790434      -2.13764264 
O       4.13496996       7.03080001       8.38943001      -1.50853871      -0.28315470       1.27369591 
O       6.28497005       6.30952997       6.61003997      -0.29821281       1.54125655       1.30230150 
O       8.89597000       1.47341003       6.62063003      -2.04534039      -0.11785775       0.48975516 
O       6.26453004       1.49449005       8.98927000       1.62144450      -0.06974504      -0.31024469 
O       4.20740002       9.43592999       5.80186999      -0.02794627       0.38532958      -0.78244723 
O       4.09985996       1.01418003       3.48625002      -4.09883022      -5.57118120       2.32160910 
O       8.38381004       9.44728001       3.44537000       2.10839962      -0.24580568       2.21339071 
O       1.16287001       9.12456004       8.77502003      -1.40522568      -5.81544650       3.61646250 
O       6.43971003       3.92355998       6.40613997       1.83412974      -1.54796016      -0.00677346 
O       3.73821996       7.00309001       5.97510005       0.80915488       0.04178037      -0.10741845 
O       6.01770995       9.51091001       8.32705998       0.38384138      -0.01514270      -0.21468136 
O       1.75749005       0.25823401       5.12711998       5.30182551       1.54942281       3.10997442 
O      10.11520003       7.25985995       4.27830997      -0.32972350      -1.39560164       0.40053393 
O       7.38139998       5.90769004       4.57401997       0.80258738       0.23210737      -1.86429755 
O       4.03756999       1.19915005       0.82727803       2.44675639      -1.72708863       1.51874834 
O       6.69917001       1.92744002       1.18544002       2.96382947       1.07263018      -2.04964899 
O       9.68686002       1.89308000       0.76541600      -0.43115792       0.31995479       2.26142261 
O       9.11547004       1.29668003       9.17192995      -1.67794041       1.71971262      -1.72975238 
96
Lattice="10.49561856 0.0 0.0 0.0 10.49561856 0.0 0.0 0.0 10.49561856" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016623368088283116 -0.002456102254216591 0.004837463853473302 -0.002456102254216591 -0.03502724315249227 0.016818272623741932 0.004837463853473302 0.016818272623741932 -0.02220375134561444" pbc="T T T" energy=-927.20577105 free_energy=-927.20577105 config_type=crystal 
Hf      10.15710002      10.42090004      10.17960000      -0.01732307       2.78773224      -0.83649620 
Hf       5.25484995       0.07683391      10.03229997      -1.01491192      -1.17908407      -2.37950901 
Hf       0.38363795       7.77616002       7.60280998      -1.31730158       1.13928711      -1.63981602 
Hf       7.68781998       2.69509002       4.86685002       4.43197538       1.73937169      -4.32065127 
Hf      10.19209997       4.87672997      10.45460000       1.39720853      -0.89876570       1.06203287 
Hf       0.59024703       7.53049003       2.41650996      -2.25367147       1.48201967       1.46958103 
Hf       2.64949999       4.82625003       2.68486004      -3.37711443       4.27984949      -2.13797069 
Hf       7.61046003       5.10980995       2.23071998       0.84376053      -1.62860977       1.00709530 
Hf       7.97293996       7.73442000      10.11600001      -2.33436856      -4.40531326      -2.61881989 
Hf       5.43657004       7.74438003       7.59401003       0.88847592      -0.71174615      -1.74973478 
Hf       4.99902995       7.66264004       1.95628002       0.97871682       0.69784215      -2.28224613 
Hf       4.96281996       5.33991001      10.06730003       2.54968518      -2.55413091       3.56791824 
Hf       2.88070997       7.80047995       5.03492004      -5.75618537       2.48569193       0.57313064 
Hf      10.42210001       5.13570999       4.89349997       1.00722366       2.19631354       1.10304745 
Hf       5.38173999       5.92410002       4.90996004       1.64517256      -2.39082919       2.04499797 
Hf       2.87683005       5.40526004       7.22094002      -1.17258606      -0.84653595       3.72751215 
Hf       2.44694998       8.51926997      10.09380000       4.31512036      -0.28623892       0.09270187 
Hf       2.59680999       0.05813597       7.72674004       3.39755228       0.23631907      -0.53252655 
Hf       4.91569002       2.42411005       2.33227002       6.36999157      -0.80418858      -0.50415971 
Hf       0.16363603       2.83260004       7.72293003      -0.71027929      -0.87233549       1.95377073 
Hf       0.06187671       0.03258386       4.90739995      -3.84187225       0.06519719      -0.52427232 
Hf       8.30419995       5.12475004       7.58790001      -2.05125913       1.85070691       2.18462600 
Hf       8.32019999       0.09234518       7.45528000      -1.24213004       1.98430245      -0.82976052 
Hf       7.56997003       2.48768001      10.41540002      -0.06157215       4.57582846      -4.08646327 
Hf       8.27761003       8.29897995       4.55276003       1.32421234      -4.28841820       1.91913151 
Hf       2.81074995       2.32659001       5.32274999       0.59764073       1.25013179       0.38338452 
Hf       5.48704998       3.15275000       7.15682995       3.88177204      -3.30492915       2.70051268 
Hf       5.45778998      10.15199999       4.93167002      -1.47608648       0.86373667       0.96228438 
Hf       2.71571003       2.73623001      10.41630002      -0.33999627      -1.90475672      -1.68048070 
Hf       2.63085998      10.19789995       2.61275000       0.41629038       0.45709240      -0.27342435 
Hf       0.45751703       2.28965005       2.34592997      -3.15062916       1.35637831      -2.35609767 
Hf       7.78846005      10.22199999       2.19306002       4.43885325       2.98968663      -1.39021209 
O       3.55738002       1.36378000       8.99889004       0.49884341      -1.56177873       0.22061032 
O       7.14745998       6.51463999       8.41089001       1.00628089       2.04095595      -0.04080342 
O       1.46997005       6.62005998       6.56352995       0.16321803      -2.62842014      -2.27118119 
O       6.96685999       4.49361995       6.20124995      -2.29647003      -1.13543254      -1.54863354 
O       4.32581999       1.45116001       6.22527001      -0.79201042      -0.24083517       0.41285765 
O       6.47795004       7.23214000       5.86018003      -0.36340182      -1.91902736      -1.46848671 
O       3.81537996       9.70373999       0.89225300       1.80515291      -0.58242138       1.68890247 
O       1.51749001       9.01222000       1.24638000      -2.56681358      -0.14247569      -0.21373702 
O       9.06410005       3.42199001       1.55596999       1.25052085       0.23622111      -1.04326843 
O       1.45675995       3.67756997       1.15698997      -0.41440636       0.34165123       0.28091851 
O       9.75678999       9.29679998       6.24673996      -1.31400087      -0.56087518       0.94583960 
O       1.16759002       6.77262996       4.13046000       0.84967617      -1.13897437       0.29044189 
O       8.76687001       4.61158997       4.14742995      -1.54722043       0.16953730      -1.64276190 
O       3.21937996       3.87612996       8.89028998       2.31957388       2.66347791      -1.10475396 
O       9.96491002       6.71204998       9.03448005      -0.83464055      -0.08912528       1.21698265 
O       3.96738003       9.45764995       8.86422999      -2.38550379      -1.10820176       0.44861202 
O       1.27915005       6.06922997       1.42802001      -0.51039041      -0.10390787      -1.14235021 
O       3.67259998       6.43326001       3.64168996      -0.10611910      -4.53318586      -0.31442945 
O       4.05895997       8.49447995       3.68119998       2.56746903       4.47219629      -2.54520200 
O       7.04859000       8.77756001       2.96451003      -4.23338596      -3.76324323       3.44075227 
O       9.38842001       6.77622995       6.08894001      -0.37464422      -0.74973222       0.02702674 
O       8.60416997       4.10565004       9.47254995       2.40181428      -0.43575905      -2.04917358 
O       1.17724998       1.20229000       3.84491998       4.85550245       2.34786451       1.15561642 
O       1.82744998       4.14090996       6.01175996      -1.11061287      -1.01090078      -1.35947539 
O       8.84331002       9.03333004       0.62889096       3.01870035       3.01163977       3.17754513 
O       8.54067001       5.73584998       0.68162997       1.64848375       2.98961981      -1.28495769 
O       6.46337005       8.65765995       0.58524996      -2.56320723       4.30845307       0.94466519 
O       3.55263002       3.26942003       3.32657003      -1.05752507      -1.19735101       4.09519485 
O       4.48819004       9.06638001       6.32350995      -0.91656082       1.83811914      -1.15999928 
O       6.39980995       0.92602895       3.61377004       0.16961268       0.39475672      -0.79122714 
O       9.56675002       4.06151995       6.41465999       0.98543637      -1.40771293       1.28696543 
O       0.80637397       4.43058001       8.81474997      -0.71108728       0.02555107      -0.99893921 
O       3.86892997       4.65804001       1.15731995      -0.10366064      -1.53886360      -0.43277928 
O       0.77022999       2.02114998      10.01770004       0.67642690      -1.33290732      -0.94826414 
O       9.24774000       1.66468004       4.04214000      -0.19485121      -0.31262040      -1.32628644 
O       6.38636002       6.48872998       0.47073605      -2.88151280      -1.81844247       1.06305085 
O       2.26951000       7.39283999       8.54823998      -0.69175560      -1.35916188       0.72225731 
O       6.18493997       3.74524005       0.96703995       1.21995610       1.07253196      -0.36278067 
O       6.68187004       3.61330005       3.41004998      -3.08484880      -0.69398472       0.24489902 
O       3.53618003       7.14597002       0.59075597       2.51661877      -0.56569222       0.41373152 
O       2.60176004       1.32246001       1.52475004      -1.12422931       1.41798207       1.30578754 
O       6.83315000       1.71820004       6.19806002      -1.66175685      -1.22827213       3.23853930 
O       1.88513999       1.95831995       7.25967998      -0.02245152      -1.73242417      -2.64117237 
O       8.76270996       9.34009000       8.84161004       1.72914940      -0.50916220      -0.18188971 
O       0.84968498       4.18855000       3.34809004      -0.07572717      -1.60059699       1.68206428 
O       1.24048996       9.22489996       3.80272004       2.33475253      -0.59406318       0.02612374 
O       4.71239996       6.07468003       8.39998002      -2.69033994       0.27603615      -2.29864668 
O       6.51628004       4.01990000       8.59519003      -2.37932538      -1.03571401       0.85903019 
O       9.65902005       1.40160002       6.35837996       0.61871557      -1.15820091       0.81662249 
O       6.84899996       1.03440996       9.06097005      -0.69584944       0.55826680       0.90487397 
O       7.10224003       9.39522002       5.62874996       2.30521899       2.56454972       1.32204130 
O       3.93269998       0.50243103       4.00543000      -2.91190619       2.18820138      -2.01286873 
O       9.37168003       9.43186002       3.44674004      -0.16476689       2.41783649       0.99539557 
O       1.09093999       9.83002999       8.76382995      -1.05768306      -1.02549874       2.26573059 
O       4.17148003       3.98196001       6.16157998      -1.25952578       2.90055673      -2.76339671 
O       4.04250997       6.84017997       6.16874995       0.10149628      -4.04160956       0.86417574 
O       6.18680998       9.17475997       8.39191005       2.99077967       3.03282979       2.22480215 
O       1.87401998       8.98868000       6.49315997       0.02733813       2.37246050      -0.90101603 
O       9.25634997       7.02270003       2.76820995      -1.49766514      -0.93013813       1.39889187 
O       6.06246996       6.34293996       3.20641997       1.91779842       0.13035246      -2.39095323 
O       4.78745004       1.82928997       0.50198801       0.14111547      -0.39823185       0.03694853 
O       7.37797998       1.49770000       1.42316001      -0.78483271      -3.18146128       1.58035664 
O      10.28929999       0.50053301       1.55902002      -0.97064511       0.95599855      -0.20386363 
O       9.25368996       1.54596001       8.72631998      -0.13468127      -1.72284584       1.23595782 
96
Lattice="10.49765808 0.0 0.0 0.0 10.49765808 0.0 0.0 0.0 10.49765808" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02777304789142508 0.004925472483838656 0.0007402541109405258 0.004925472483838656 -0.023488105775260604 -0.004324647869683856 0.0007402541109405258 -0.004324647869683856 -0.031110679398823993" pbc="T T T" energy=-927.14777709 free_energy=-927.14777709 config_type=crystal 
Hf       0.57309004      10.10369997      10.25589995      -1.73495190       3.96995536      -1.69925592 
Hf       5.22503998       0.08873492       9.77809002       1.17496206       0.39838827      -1.34154537 
Hf      10.49290002       7.90085996       7.61412997      -0.71363555      -0.55193738       3.11187064 
Hf       7.70717995       2.38766000       5.05984999      -0.54367082       2.45462906       0.53293609 
Hf       0.24499203       5.27651997      10.42019996      -1.61529327       0.68748703      -2.64051155 
Hf      10.47482861       7.66668996       2.23265000       1.31113376       1.61384987      -0.06109716 
Hf       2.56490004       5.20417998       2.73982997       1.68845543       0.89907667      -1.36061141 
Hf       8.12248998       4.82344997       2.38761003      -1.63421024       3.89436958      -2.22687926 
Hf       7.76600998       7.73314003      10.06080003       5.28853856       3.68640249      -6.21997359 
Hf       5.33395004       7.69050999       7.51147001      -1.30243218      -0.06413491       1.70925188 
Hf       5.25503001       8.25562999       2.18494004      -0.78371854      -5.25791769      -1.07427193 
Hf       5.26914999       4.87244002      10.15270000      -0.61196010       2.44362311      -1.65450151 
Hf       2.24869001       8.03831997       5.06924004       1.81946327      -0.42635329      -1.85047627 
Hf       0.00264394       5.41536998       5.06138002       0.29028112      -3.30935964      -0.77561187 
Hf       5.50350999       5.47042001       4.68409997      -0.82101591      -1.43204190      -0.73391242 
Hf       2.63782003       5.64447003       7.48101998      -1.20440031      -2.58610872      -1.35992721 
Hf       2.77598002       7.58773004      10.29740003       1.54667343      -1.28278452      -0.43475739 
Hf       2.64342001      10.11299995       7.54732004      -0.33375303       2.39276988       3.54058665 
Hf       5.43409003       2.90628997       2.42475001       1.12363322      -3.65173594      -2.95180062 
Hf       0.32264405       2.67438999       7.87550003      -0.69570483       1.60331481       1.77155628 
Hf       9.96318000       0.02921761       4.63420995      -0.79227819      -3.29205992      -0.07089681 
Hf       7.95077002       5.33935003       7.64543000       0.90941115      -1.64531986      -0.19108113 
Hf       7.85623998       0.03361182       7.61559996      -0.35660050       1.09770341      -0.12269601 
Hf       7.90257003       2.72317995      10.05020002       0.15962296      -0.73406621      -1.41347677 
Hf       7.75918000       8.04840003       4.97751003       1.98033786       1.06947131      -5.41897678 
Hf       2.37420998       2.18440004       5.30956996       1.04742494       6.14450495       0.61110150 
Hf       5.31473995       2.54644002       7.44025999      -3.89712057      -1.81330866       3.26185185 
Hf       5.03375995      10.42539997       4.75375004      -0.75375839       0.75501467       3.49008763 
Hf       2.56522001       2.69265003       0.15049495       2.71392758       1.68202470      -5.26548113 
Hf       2.71252000      10.47529996       2.32094003       1.27382362      -2.31340001      -0.19125632 
Hf       0.14163703       2.40511004       2.16390000      -3.45418691       4.25697987       4.54680603 
Hf       7.86290998       0.22178602       2.08835004       0.48461635      -0.73906407      -2.55010212 
O       4.19627999       0.99081600       8.19520001       0.08201815      -2.42582453       0.36372157 
O       6.26837996       6.56329004       8.78034000       2.65985255      -1.15093603       2.57271199 
O       0.82875000       6.55814997       6.39199997       1.61039410       1.57550229      -1.12839422 
O       6.13707001       3.36894003       6.03368004       3.93630646       1.25693882      -4.41688520 
O       4.03370003       1.43174997       5.50397997       0.94588924       1.66139498       1.78915993 
O       6.17895997       5.74157000       6.67223001      -0.61748512       1.74289349      -4.03208498 
O       4.26524005       9.39407004       1.05262002      -0.94420299       1.45047589      -0.62290663 
O       1.61862004       9.00850996       0.90262402       2.03785591      -0.86204414       2.23921230 
O       8.76346995       5.10534002       0.51340004       1.77583892       0.20189658       0.60498606 
O       1.24664004       3.93762998       1.19495997      -1.28521185      -0.94785346       0.62963536 
O       1.12750999       8.95828003       6.41273998      -0.41036085       3.13131933      -0.86300475 
O       1.54281005       6.61342003       3.72041002      -1.44576973      -0.28787873       1.29655099 
O       9.23835996       3.72873004       3.26942003       3.61466130      -2.96555361       3.12299973 
O       7.02840999       3.97017996       8.73866997      -1.93294778      -0.37266484       0.11645306 
O       9.03840005       6.62047005       8.61847000      -0.93704222       0.82724198      -1.39629388 
O       3.75342001       8.75060003       8.68479998       1.54035429       0.13077889       2.17812140 
O       1.54822002       6.30612996       1.27219995      -0.33843547       1.82602891      -1.59938609 
O       3.93574995       6.81726996       3.96738002       3.12599560      -2.34014128       0.16350302 
O       3.41098997       9.16206004       3.74550005       0.16474188       1.09929095      -2.50001231 
O       6.12122001       9.33261004       3.56051001       1.74650195      -1.40171999      -1.34755891 
O       9.04860996       6.73702996       5.40653998       0.08016948      -0.00494510       2.27974602 
O       1.83725004       4.06413998       9.21451002      -1.94529291      -1.09641197      -0.43355018 
O       1.03654002       1.05165003       4.47834996       2.01586015       0.85519468      -1.67166660 
O       1.38223997       4.43275002       6.43317000      -3.53082035      -3.90369942      -0.39218942 
O       9.51925997      10.31839997       0.81309296       4.46346242       1.25101989       3.41379861 
O       9.76705005       7.53419996       0.32466496       0.41270878       0.35316556       1.36886080 
O       7.82606005       9.83781004       0.19283001      -6.27585528      -1.64876686       0.65676014 
O       4.44957997       4.31106002       3.10184003      -2.40684408       3.04611033       4.57900368 
O       6.46235999       8.59860003       6.13550995      -3.54815094       0.00141108       1.03446349 
O       6.73270996       1.22356997       3.84018998      -0.86648824      -0.76423955      -1.12188449 
O       9.11001003       4.17761001       6.26058997      -0.31436657       0.52334881      -0.51306539 
O       4.34164998       3.48191005       9.23993996       1.42871824      -1.49425320      -2.04586795 
O       3.95864996       4.12888996       0.94796099      -2.07356132      -1.81162232       1.20292776 
O       1.77167999       1.15570996       9.21915995      -3.18559164       0.47894636       2.43217926 
O       9.31966002       1.29377999       3.27679998      -1.41055605      -1.81648439       0.46667689 
O       6.50125004       7.36071997       0.67146496      -4.92408333      -0.97617278       7.08853410 
O       1.07784998       6.59006002       8.81176002       2.17413376      -0.45499533       2.19737665 
O       6.66904996       4.24844002       0.97587699      -1.66806459      -2.10962539       0.59448734 
O       6.77535995       3.69929996       3.51293000       0.44048419       0.50700069       1.99975269 
O       4.14565997       6.73129005       1.18261000      -1.58088327       0.82461568      -1.08768158 
O       1.44720998       1.39252001       1.32750004       2.86351273      -3.80413103      -0.23343950 
O       6.07926003       0.74450703       6.49297001       2.36092743      -0.44253876      -1.83077589 
O       1.92178999       1.47453003       7.04730997      -2.84913542       1.30641372      -1.69657234 
O       9.06733999       9.16889003       8.18607996       1.78894728      -0.76529212       1.87260604 
O       1.46039000       3.92417996       3.75111997       0.09978983      -1.36394114       0.63976511 
O       0.77339197       8.98439999       3.75512000      -1.00343446       1.24794228      -0.65862442 
O       3.89034002       6.08945998       8.90473001      -0.39708750       1.07127188       2.09508578 
O       9.56960999       4.26383000       9.01754004       1.67757136      -3.25003563      -1.58645803 
O       9.05160001       1.45629003       6.20758005       0.98868554       0.30823517      -0.87146273 
O       6.72910003       1.23401000       8.72681003      -1.88083087       2.40481876       3.14128544 
O       8.64430998       9.68902999       5.88858005       0.22539455      -2.13292819      -2.13626689 
O       3.92052005       1.06477001       3.35545001       0.51754598       1.75139879      -3.54397237 
O       8.57278996       9.02422002       3.19385998       1.08854658       0.46435102       0.30166399 
O       1.38323001       9.07805999       8.80695996      -1.40233163      -1.72745324      -0.24777026 
O       3.58616996       3.90067003       6.35817998       1.81685797       0.62565167       0.71003545 
O       3.54755999       7.28189001       6.49201997      -0.62920111      -3.47930155       0.83277595 
O       6.49016000       9.02498005       8.59772998      -0.43870667       1.31729200       0.62242620 
O       3.55253000       9.49889997       6.07202998       2.64703747       0.26206829      -2.69190656 
O       9.65535004       6.16286002       2.95119003      -0.43323811      -0.56205124       0.62565826 
O       7.11338003       6.19672001       3.52631000      -2.98181769       1.97866130       2.34639768 
O       3.89728999       1.20064004       0.11732897      -1.18480270       0.31966579       3.09415266 
O       6.32077997       1.57740004       1.02414995       1.53577291      -0.74853802      -0.18510449 
O       9.13755998       2.28092002       1.01764003      -0.54121818       0.59874502      -0.72844292 
O       9.11186003       1.56198003       8.72258997       1.95366781       0.76098064      -0.05719437 
96
Lattice="10.49974455 0.0 0.0 0.0 10.49974455 0.0 0.0 0.0 10.49974455" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005369078788395212 0.019161319764278515 -0.0020610123360501856 0.019161319764278515 0.006754880747539617 -0.0067317402401082405 -0.0020610123360501856 -0.0067317402401082405 0.0013579730048199194" pbc="T T T" energy=-933.30149282 free_energy=-933.30149282 config_type=crystal 
Hf       0.20819901      10.30044354      10.07719997       0.04371392       2.86227725       0.78239914 
Hf       5.36878997      10.49084707      10.21799997       3.35985011       2.99500324       1.19248449 
Hf       0.17855551       7.66118995       7.57794000      -1.39231788       0.32224435      -0.34868871 
Hf       8.09339997       2.59738995       4.83074998      -2.15492404       1.31099653       0.39295161 
Hf      10.45499999       5.12503997      10.41725583       1.68157206      -2.05497822       0.20886503 
Hf      10.18280000       7.91039005       2.34833003       2.18946818      -0.25700215      -0.75471117 
Hf       2.56513999       5.18563998       2.66592998      -0.46667032       0.98239980      -2.43070188 
Hf       7.32240005       5.27985997       2.14606001       1.54160203      -1.20469517       2.20087297 
Hf       8.09522997       8.00953000      10.09190003       0.93068676      -1.11049711       1.53619642 
Hf       5.54821002       7.66196001       7.69194003      -1.75379335       0.15185426      -3.01483966 
Hf       5.39703995       7.99452996       2.17098000      -1.32142548       2.22624868       1.77862103 
Hf       5.26255996       5.14092000       9.99000999      -3.06631650      -1.00550070       1.65302000 
Hf       2.31352001       7.61322996       4.79484999       0.14071756       2.36131808       0.67412895 
Hf      10.29689999       5.18766003       4.83563005      -1.22539182       1.70388912       2.04934211 
Hf       5.20042005       5.30996998       5.15947997      -0.25225747      -0.30712893      -0.63178425 
Hf       2.57716996       5.24493005       7.88258001      -0.04243772      -0.80964714      -2.51635726 
Hf       2.51057995       7.93953997      10.25929998       1.58785238      -3.14763068       2.40148938 
Hf       2.94015002      10.01180000       7.34254003      -3.26525739       2.85711435      -4.29258681 
Hf       5.02549998       2.57286003       2.23990001       0.23007321      -0.68177807       1.75350942 
Hf      10.44340607       2.48365000       7.66631005       4.23506519       3.07913661       0.25322764 
Hf       0.26252102       0.08897001       5.18975998      -0.23759299      -3.56376062      -1.65220776 
Hf       7.86634005       4.95140003       7.48568000       1.60920358       0.41192806      -0.85717566 
Hf       8.34516001       0.24095549       7.83245003      -7.75280789      -2.75600271      -2.74650994 
Hf       7.83325000       2.84314004      10.01209998      -0.74518983      -1.25380783       2.65997718 
Hf       8.08378000       7.85454002       4.85815999      -0.99599428       1.88576581       3.43298669 
Hf       2.92924005       2.24217005       5.13329004      -1.30631691       2.80085885      -4.23760515 
Hf       5.18381996       2.27658002       7.37995997       2.14252225       3.42476717      -0.14427240 
Hf       5.74866001      10.22269997       4.98748996      -2.79188750      -0.25718150      -1.61853509 
Hf       2.51289998       2.35198005      10.02640000      -0.07838460       0.78533802       3.41054599 
Hf       2.74396996      10.18529999       2.24506000       9.27316209       4.02766375       7.84323151 
Hf       0.41918099       2.63302000       2.65274996      -2.84212307      -1.51494622      -5.05397238 
Hf       7.95840003       0.39980602       2.37350001       2.68036061      -1.90579610      -3.05989842 
O       4.19084998       4.18210999       8.16589000       2.02259607      -2.24128199       1.96301099 
O       6.42326997       6.63298997       9.10644997      -0.03416160       0.86915178       0.67899088 
O       1.15471004       6.48584004       6.26282001      -0.56567919      -0.76028542      -2.45678016 
O       5.98584998       3.93299998       3.87580997       0.94282666      -1.53956713      -2.50267318 
O       1.55433000       1.31691996       6.37724003      -1.25181035      -0.72720594      -1.47185778 
O       6.38806999       6.18573005       6.59454999      -0.39575456       0.29993991      -0.03626687 
O       4.33302996       9.20893997       0.64828499      -2.69737207      -1.60027614       0.51131949 
O       1.41865997       9.58516997       1.35280998      -7.33733225      -3.24150503      -8.38549595 
O       8.20827998       6.91839004       1.39844995       1.15942509       1.33384223      -0.83175464 
O       1.15001004       4.42415000       1.44377997       0.53556511      -0.25720945       1.22612952 
O       1.44801998       8.94125004       6.40371997       3.13157599       1.91631671       0.12019527 
O       1.18529002       6.62751005       3.35576004       0.27496127      -4.00978062       0.94380464 
O       8.51441001       4.27515999       3.85070005       1.61816469      -0.05605935       0.63435722 
O       7.08727003       3.35240002       6.56150005      -0.17457834       1.37529522      -0.59032507 
O       8.88028002       6.82838004       8.56099003       0.64938964       0.69708522       1.41178743 
O       3.95025999       1.31756002       9.11283004       3.04989066      -1.86961860      -2.42504661 
O       0.32890198       6.89183997       0.63404198       0.23981291       2.09811710       0.09250721 
O       3.48222002       6.08629001       4.44124999       0.24249682      -2.04401109      -2.89360670 
O       3.69439003       8.61470000       3.29251998       0.28205629       0.77983719      -0.39136384 
O       6.56347999       8.72824004       3.60947996       1.05014827       2.38710460       2.44476406 
O       8.72653005       6.05579004       5.99780005       0.17486452       1.88215028      -0.65252215 
O       1.40076000       3.71353999       9.39524996      -1.90928720       2.50662155      -1.46385044 
O       1.78005004       1.48262997       3.50746004      -0.10100435      -3.30394995      -0.41607395 
O       1.42134002       3.93569999       6.91215004       0.65317329      -1.63890933      -0.79961681 
O       8.93732996       2.11387000       1.81426000       0.43164222      -2.23553271       0.19069673 
O       9.34601004       9.22515000       1.09883995      -0.19841598       1.87549249      -3.02041566 
O       6.79294004       9.56170997       1.26095002      -1.84268956      -1.84188282      -0.70220024 
O       3.50683005       3.36646999       3.27067001      -0.58234484       1.42631558      -0.70150975 
O       6.74882001       8.97856004       6.25051998       0.16909696      -0.86828180       1.60596671 
O       6.72661000       1.39342005       3.32225000      -1.42327052       1.24233061       3.50750238 
O       9.50179003       3.93084995       6.47694004       0.01273471      -2.03266696      -1.80536850 
O       3.60027998       6.41913002       9.75192996       1.03322132      -0.32415811      -2.33547475 
O       3.55014003       4.02616002       0.46447499       2.88768697      -0.44839971       0.88614716 
O       1.26133998       1.12405005       8.81979004      -0.02121935      -1.74068019      -0.50987461 
O       9.95095997       1.66310000       4.27366000      -2.31267084       2.04459519       0.05168181 
O       5.90603995       6.48002004       1.19486998      -1.44757150      -2.90577680      -3.18211804 
O       1.10819995       6.15843995       8.68839004      -2.04180468       2.20483032       2.72112284 
O       6.56936005       4.00028004       8.95643004       0.80916649      -0.31638438      -0.39622381 
O       6.51431997       3.93848001       0.87662997      -1.13181629       0.00678277       0.47488669 
O       2.89172005       7.09219000       1.54380002       0.42442309      -1.43293036      -0.24387677 
O       0.82631499       1.88218001       0.57094797       0.46386771      -2.14396518       2.16117368 
O       3.90134997       1.17099997       6.33016999       2.66072340      -3.58758313       2.54667881 
O       9.56247005       0.89270204       6.58647002       0.71168020       2.69543418      -0.99725592 
O       9.53378002       9.57238002       8.57735997       1.71111849      -4.67367779       3.44187614 
O       0.98233500       3.77650003       4.04562003       1.34258281       3.17294515       1.99861200 
O       0.99500504       8.80825996       3.65193001       0.97147056       3.39261020       1.72972197 
O       3.76924996       8.85797005       8.44961997       3.63092193      -2.77606814       3.98800475 
O       9.21382005       3.93481003       8.88653996      -0.14770863      -0.18675988       1.03089623 
O       6.62456004       1.19781002       5.99111004      -0.18253554      -1.60174324      -1.60596278 
O       6.82594998       1.40757003       8.31022001      -2.48620069       1.25585191       3.29447710 
O       9.76945004       8.73216001       6.11795997      -3.43374770      -0.03634192      -1.38695504 
O       4.13538004       0.78759802       3.55023001       2.07876793       0.67306790       2.63973692 
O       9.16293996       9.89071002       3.89638002      -2.06631425      -1.11123272      -0.89498822 
O       1.21145003       8.89633003       8.96631996       1.06990149       0.20651900       1.28760835 
O       4.49007002       3.47009995       5.70273004      -1.11946032      -0.84058024       1.36659715 
O       3.85027995       6.37765005       6.66697996       1.06046770       1.27107424       2.23302880 
O       6.97646003       9.35537004       9.21274004      -2.37320303       0.41985119      -1.34906977 
O       4.08402999       8.99616003       5.84523005       0.38037613       1.73584459       0.94033506 
O       9.39728996       6.97938001       3.89002001       0.51722330      -2.14782989      -1.75133910 
O       6.19943998       6.33907997       3.59129997       0.52823568       1.05470797       1.05184501 
O       3.80663997       1.27148001       1.19399000      -0.32586813      -0.57372154      -1.44501563 
O       6.68741005       1.38667995       0.84939196      -1.70876660       0.46358447      -3.00490409 
O       9.20156002       4.45771002       1.33217997      -1.64350792       0.99777061      -2.00667609 
O       9.10861995       1.33187002       9.15908005       2.07907900       2.47233656       2.61699690 
96
Lattice="10.50186396 0.0 0.0 0.0 10.50186396 0.0 0.0 0.0 10.50186396" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008105900523948028 -0.008980168611383099 0.00017176492056324483 -0.008980168611383099 -0.01876193925173521 0.0010750838563228647 0.00017176492056324483 0.0010750838563228647 -0.017136287955750455" pbc="T T T" energy=-928.34999328 free_energy=-928.34999328 config_type=crystal 
Hf       0.37601903      10.36670003       9.99037005      -0.58862425      -0.91055392      -4.87516616 
Hf       5.28870004       0.11753298       9.84912995      -1.22547975       0.24662729       2.47437105 
Hf       0.18328704       7.52461997       7.95506995       2.37974244       3.03614328      -0.46902438 
Hf       8.05735002       2.23424005       4.86474001      -2.29459662       2.34043022       2.81361026 
Hf      10.25440003       5.36789996      10.28529998      -0.86943127      -3.24685394       2.18586116 
Hf      10.45884538       7.86014003       2.22086005       2.65946589       1.17404413       2.63948031 
Hf       2.80323997       5.51386998       2.08937997      -3.61721052      -1.39005980       2.50916819 
Hf       7.79773995       5.65547995       2.48263003      -1.17755345      -1.88767762       1.93989132 
Hf       7.84387002       8.38482996       9.96864999       0.41156820      -2.73143661       0.29152674 
Hf       4.92876997       7.74555000       7.29512001       2.97691009       1.03643185      -0.80570800 
Hf       5.32027999       7.65663996       2.37477999       0.48103274      -1.83336911      -0.10244028 
Hf       5.57058005       5.05028998      10.07700003      -1.76632928      -1.47526897       1.50721094 
Hf       2.33747999       7.92738000       5.19228999       0.84558992      -1.56327631      -1.29510749 
Hf      10.47289719       5.08003000       5.34704997      -0.04331583       2.67732752      -3.46865461 
Hf       5.39839999       4.86113997       5.19708997       1.32222115       2.59090025      -3.65664747 
Hf       2.68770004       4.85347004       7.95928005      -1.97951171      -0.58061739      -0.67106012 
Hf       3.05833003       7.65834997       9.98821002      -1.22149728       2.24349386       0.13363407 
Hf       2.97208999       0.17135702       7.26766005      -3.10152198      -0.58200721       4.73785836 
Hf       5.21819000       2.47666004       2.71921004      -1.18092954       1.75638154      -4.02333273 
Hf       0.30903604       2.59503999       7.33449003       1.29282757      -3.75204891       4.41408743 
Hf      10.44819996      10.34970004       4.90580996       1.59845179      -3.34791196       2.97725370 
Hf       7.68631003       5.40957996       7.52777001      -0.71320973      -2.33155944       1.80108812 
Hf       8.28562998       0.00499091       7.79274002      -2.59778477       2.83900735      -1.71476446 
Hf       8.01717000       2.91034995       0.14556098      -2.24331956      -1.38066266       0.72285895 
Hf       8.06112996       7.86839996       5.09590998      -1.50424290      -1.25069165       0.24320892 
Hf       2.77830004       2.45927998       4.66961002      -1.71601312      -0.68339183       3.50479363 
Hf       5.53437004       2.41635004       7.20041000       1.04366977      -1.20918767       4.80937827 
Hf       5.37577005      10.24490005       4.74972002       0.71452034      -0.29970679       0.27834323 
Hf       2.76574002       2.74607003       0.33436297      -2.27914767      -4.84846488      -5.30041885 
Hf       2.55354996      10.11119998       2.14678000       1.31491338       0.20076376      -1.34519918 
Hf       0.11241605       3.04187004       2.60634000       1.61228633      -1.03862036      -2.06510329 
Hf       8.05883005       0.22615596       2.29425999      -2.17585601      -1.56302654      -2.96668196 
O       1.71331000       3.33272000       9.01942000      -0.77308687       2.47358306      -0.13304310 
O       6.08329995       6.31989004       8.73880001       2.16373836       0.58038968       0.04211480 
O       1.97928000       3.37199004       6.54608002      -1.48064083       1.85793051      -1.49077024 
O       7.05230998       3.78007000       3.90883997      -1.44206431       2.61239848      -0.95436672 
O       1.56785005       8.97637003       6.66444002      -1.43993141       0.37724516      -0.02329736 
O       6.34169002       6.32757005       6.39730999       0.51170812      -2.89901348       0.26167782 
O       3.49619002       9.59650005       0.34005802      -0.47006358      -0.90231459       2.83449276 
O       0.92287797       9.06743001       1.04259995       0.54570128       1.50786980       1.71142309 
O       9.51624995       6.49003000       1.35128996       1.18194173       2.57870934      -1.81034945 
O       1.25285000       3.79975995       1.14053005      -1.84738212       2.04645765      -0.04092682 
O       1.26572004       6.40527996       6.66566002      -1.64118504      -1.49822715      -0.64298290 
O       1.15248001       6.60056002       3.92509003      -0.01893347       0.73194649      -0.06641792 
O       9.62704998       3.30102002       4.21735995       1.46848231       1.87605551       1.00427727 
O       6.86691995       3.49359995       6.29856999       0.30013678       1.32471964      -0.62981616 
O       9.00369000       6.42814997       9.16174000       0.31436757       2.11502509      -1.91784641 
O       1.46325002       1.08128998       8.54525003       0.06445264      -2.68887276      -2.74987369 
O       1.91986003       6.94167001       1.05816004      -0.70293012      -0.70436929       0.76983204 
O       4.40143001       5.73969997       2.96512998       2.36253389       2.14202740       1.23473756 
O       3.81108999       8.58269999       3.21943997      -2.01910438       1.28513453       0.11787921 
O       6.15584998       9.43547004       2.86986001       2.48250976       2.15855584       2.00089607 
O       8.88696997       6.39492995       6.25632005       1.43372779       0.29600912       1.63791863 
O       9.03299996       3.91284003       9.43652999       4.17815308       2.81564254      -2.09379707 
O       1.71332996       1.93664002       3.20558003      -3.20745997      -3.88533115      -3.27033297 
O       1.18191002       1.13952995       5.70515997       1.83372115       0.60396770       0.39892059 
O       9.06653998       0.77699301       3.96731005      -0.36763163       1.51989775      -0.80255219 
O       8.85947000       9.29338003       1.11695000       0.18080475       1.12556268      -1.03020716 
O       6.34268003       9.09187005       0.22233097      -2.33248218       1.11683852       0.56450984 
O       3.99258005       3.60280001       3.83735998       5.99176693       0.31153228      -1.39066562 
O       6.16382005       8.61458995       5.91437001       1.33498667       1.27895828      -3.62105501 
O       6.82056997       1.30579000       0.63643301      -0.71823821      -1.55272962       2.76042141 
O       9.37600995       3.89326004       6.52023998       1.17084520       1.14316392       1.68633035 
O       3.54236000       6.76734001       8.22059005      -1.04572228      -1.45895319       1.48889123 
O       3.62645997       4.29755996       0.82499902       3.22061602       1.61095384       0.83229202 
O       9.53208004       1.24386996       9.15898001      -1.45517850       0.58804986       1.48425001 
O       6.35407003       1.60964999       3.86482005       2.50265868      -4.20602453       1.00290371 
O       7.02621002       7.07747003       1.42130000       0.71250775      -0.57473757      -1.41716310 
O       1.39490000       6.02233001       9.26988998      -1.48860445       0.16133670      -1.03451436 
O       4.12787998       4.24649002       9.00281005       1.54972585      -0.45833087      -0.02628503 
O       6.47741999       4.04605995       1.18461004      -0.71193420       0.33765155      -0.54781498 
O       4.51695996       6.82556004       0.50688496       1.38368935      -1.25119108       0.92989395 
O       1.23939995       1.01690998       0.53270400       3.54923124       4.44618269       5.56434590 
O       4.02252003       1.45675997       9.13172998       0.09425788       0.89254085      -2.15215437 
O       9.44507000       1.28640997       6.76457004      -0.95277041      -0.52755798      -3.57732532 
O       9.38408001       9.39443999       8.81678003       2.07241127      -5.21506542       2.47701282 
O       1.92751999       4.12220004       3.68002998      -3.89943613       2.15559826       0.69521619 
O       1.44349002       9.14261999       3.80770996      -1.08717880       3.04290754      -0.72810856 
O       4.09307995       9.25954995       8.55068002       1.29105584       0.34875981      -1.60326650 
O       6.75730002       3.51143001       8.77985999      -1.52973606       2.03936456       0.96906378 
O       4.28249997       1.19964997       6.21376996       0.91873434       1.90715905      -0.08108557 
O       6.77337995       0.86837697       8.86828999       0.36777533       0.14426801      -3.63593594 
O       9.39673003       8.90708997       6.34043998      -0.17610414       0.76619461      -1.79972270 
O       3.97079005       0.93107604       3.70719999      -0.44572140      -0.21469993      -0.49693860 
O       9.42198995       9.10532000       3.46320997      -2.11793704      -1.99212069       1.61522073 
O       1.60461004       8.65765001       9.09759997      -4.23127076       0.13666821      -1.04103539 
O       4.33240000       3.63279995       6.28354004      -0.54768134       1.94815800       1.09568754 
O       3.86050000       6.71681996       5.78112005       0.75519796      -0.67859597      -0.51563848 
O       7.03345000       8.74234996       8.13950001       0.48578088      -0.01688066       1.07113316 
O       3.76973995       9.61647995       5.84159997      -0.00471115      -4.31120009      -1.90157191 
O       9.08619999       6.07155005       3.97247003       0.38552144       0.84416815       0.09315017 
O       6.42049999       6.60274000       4.02981000       1.21954016       1.21290435      -1.78906438 
O       4.09411995       1.47311998       1.24465004      -0.15339661       0.58857837       0.81374411 
O       8.78275997       2.14981000       1.83979004       2.40744482      -2.05556999       1.38150220 
O       8.90002998       4.55334997       1.37677998       2.02807746      -5.26972073      -1.47587592 
O       7.09202005       0.50598495       5.87956001      -0.51291129       1.07528386       0.72774723 
96
Lattice="10.50401861 0.0 0.0 0.0 10.50401861 0.0 0.0 0.0 10.50401861" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005638197919458744 0.00055825656072387 0.007868572132643617 0.00055825656072387 0.002228052889835303 -0.014227950254708898 0.007868572132643617 -0.014227950254708898 -0.0025455033652679302" pbc="T T T" energy=-929.94755546 free_energy=-929.94755546 config_type=crystal 
Hf       0.12541105       0.10344000       9.96344999      -0.42182201       1.26575903       0.35225368 
Hf       5.19469003      10.04209998       0.02407279       2.26621875       4.20468720       0.59707678 
Hf       0.06599790       8.08825000       7.66759000       0.60095455      -3.39652172      -2.36241821 
Hf       8.03478003       2.54305998       5.27106002      -1.64736826      -0.11755108      -0.99232028 
Hf       0.19351501       5.36692999      10.03320003      -3.08305569       1.71119083       1.71386705 
Hf       0.07779864       8.05315996       1.85446999      -2.76136319      -0.32467682       4.38064695 
Hf       2.50510004       5.14268001       2.39395996      -8.04386581       5.52865014      -4.09743319 
Hf       8.02760001       5.05773002       2.65051000       2.35049151      -0.93126779       3.21264549 
Hf       7.77203996       7.85192996      10.19439995      -0.08143669      -2.05988972       1.34155055 
Hf       5.13126004       7.40110998       7.43194001       3.52694113       5.55808578       1.86034413 
Hf       5.24959002       7.44950000       2.17877999       4.22122919       2.81693196       0.84574941 
Hf       5.20666997       5.29594005      10.31230000       1.49823148      -3.93015029      -1.42026953 
Hf       2.64570000       7.90318999       4.95346997      -0.46239138      -1.05553651      -0.50992303 
Hf       0.10384504       5.37599002       5.40466998      -3.99554276      -4.70384883      -1.01934762 
Hf       5.26555004       5.58293999       4.89763996       0.77375428      -4.72825951      -1.08717219 
Hf       2.70773001       5.03478000       7.40518995       0.40702529      -2.18350821      -1.32327126 
Hf       2.64155995       7.52870996       9.97430998      -0.35692325       3.17842241      -0.99268476 
Hf       2.50625002      10.49589113       7.07619999       2.17915280       1.54597440       0.78015922 
Hf       5.10400999       2.81659997       2.19791001       2.67804714      -3.66532369       3.36993191 
Hf       0.05581058       2.46420999       7.57824996      -1.20904510       0.50150388      -0.98831348 
Hf      10.37060003      10.36319995       4.99640998      -3.63183536      -0.78487189      -4.47628159 
Hf       7.91236998       5.26721996       7.76210999       0.82283951      -3.04514855      -1.42982619 
Hf       7.86727003      10.37790001       7.75873999      -2.89130777       3.07512465      -2.38772813 
Hf       8.15931998       2.87702003      10.28369997      -3.26484962      -1.63078032      -0.89207384 
Hf       8.04182003       7.56943005       4.95907996       4.96418900       2.69125367      -0.26338657 
Hf       2.77380995       2.89548998       4.76566001       0.60176169       2.62790496       4.54782523 
Hf       5.45936000       2.47783003       7.73879002       2.50724856      -2.06476795      -1.16698137 
Hf       5.73714003      10.17459998       4.97944000      -0.10699331       3.02707055       1.13514092 
Hf       3.02291002       2.51454998      10.28790000      -3.17618145      -4.57455690      -4.77092063 
Hf       2.81404003      10.29330001       2.50116996      -5.79496192       3.96451752       1.33723710 
Hf       0.15190597       2.54023997       2.22944003      -4.72009934       0.49076594       0.44192546 
Hf       7.81074002       0.13165905       2.21389997      -2.03839397      -0.58451787       2.31344631 
O       1.29530999       4.18150002       9.17553000       3.37697530      -2.44592039      -2.89037632 
O       6.94770002       6.71762998       8.56371997      -3.81978625       2.52024074       1.59443536 
O       1.27575003       3.71392004       6.28246004       1.71931050      -0.14627252       1.91101459 
O       6.56875999       3.05094000       3.71652997      -0.97703600       3.13317384      -0.46426676 
O       1.39471004       9.01018004       6.18021004      -1.15360903       0.01764322      -2.06722689 
O       6.76587000       6.47086002       6.14656997      -2.39293332      -1.08332157      -1.68148919 
O       4.37774996       9.43699004       2.38470003       3.66614567      -3.87080387      -3.20709965 
O       1.50230995       8.93436004       0.78413602       1.75312368       2.55605630      -1.22727353 
O       8.99427003       6.47121001       1.68657995       1.53210331       3.34465166      -2.86438284 
O       0.88433102       4.42587003       1.30790000       0.23197423      -3.27059871       2.27226689 
O       1.27032996       6.48491996       6.28144998       5.18557255       3.16475064       2.37106964 
O       1.61349005       7.53851998       3.25428005       1.05119643       0.20765303       0.58255079 
O       9.02294999       3.74865998       4.09498997       1.54878390       1.18581174      -0.62124427 
O       6.83658999       3.56287005       6.68866998       0.38069750       1.84163235      -1.39527223 
O       9.28577997       6.71808995       9.10421002      -0.03378985       1.71334767       1.60069483 
O       1.57853005       1.37013001       8.47208995       0.16111431      -0.57640219       1.66397829 
O       1.51841996       6.48833996       0.69617001      -0.95253795       0.41259909       1.10940844 
O       4.55025998       7.28995005       4.02882001      -1.63624927       0.28008641       1.05417350 
O       6.94781000       8.89778999       3.97253003      -1.34285640      -0.71102913       0.13917853 
O       9.48971003       8.66432998       3.58941003      -0.01223449      -0.68997577      -1.59903421 
O       9.41287996       6.60627005       6.66507995      -1.52589948       2.27444266      -1.16235736 
O       9.01217003       4.19302997       9.01738002       2.03202935      -1.13321450       5.10099038 
O       1.28142000       2.32199997       3.73838999      -0.57200229       0.22666728      -1.03615093 
O       0.78328204       1.05260004       6.19047005       3.34242354       0.71396390       0.50906570 
O       9.02982004       1.14119996       3.98368004      -0.12226312      -0.95260585      -0.24929284 
O       9.09808996       9.23060005       0.37246504       3.06208679       0.20504013       0.31306184 
O       6.64464995       8.99385995       1.34371996      -0.73176886      -1.25828845      -0.32358431 
O       3.94567997       4.55262002       3.14889995       8.27831297      -3.88891679       4.15074885 
O       6.44408002       9.24122003       6.67228003       1.48943314      -1.85183605       0.12361103 
O       6.31108003       1.27131996       0.82570504      -0.16380450      -0.99880461       0.69687489 
O       9.51163002       4.32343998       6.96868002       1.68169165      -2.19761566      -3.82535597 
O       3.93040996       6.33395001       8.61413999      -1.36109807      -2.07417649       2.64394468 
O       3.64740996       3.88674003       0.85217002       1.25123274       3.01273681       0.66616053 
O       9.46374998       1.52759995       9.20209004       1.87706320       0.29584143       0.81626430 
O       6.34778002       0.87272502       3.35550003      -0.24798080      -2.60181411       0.55942239 
O       6.49343998       6.39553003       0.64252798       0.14186185       2.05948069       0.35250353 
O       1.18089003       6.84772004       8.81394996       0.86035403      -2.06925155       0.17436512 
O       4.03636999       3.56436004       8.48502995      -3.13861851       2.46470872       2.25614879 
O       6.18939003       3.88481002       0.95351805       0.35068144       1.46775143      -0.03635318 
O       3.89457004       6.54224995       1.18968000      -0.71007103      -0.89705453      -1.48091900 
O       1.03674002       1.72581005       0.77039204       1.80859099      -1.59607696      -2.93084736 
O       4.23223002       1.18739002       9.23394999       0.53201141      -1.01471395       1.14710472 
O       8.99790001       1.38813999       6.67374997       2.62567392       1.11024497       0.95746331 
O       9.76115004       9.76648997       8.13574003       0.49177917       0.42856459       3.01683791 
O       1.96617004       5.07058001       4.34852999      -0.65722483      -0.35832785      -1.47339694 
O       3.20856005       9.79499998       4.43189996      -0.37072097      -0.76945687       1.04453879 
O       4.51697999       8.50092001       9.58833005      -1.98897444      -1.16747172       1.28949874 
O       6.64675002       3.90138001       9.03225004      -1.99930429       2.68397005       1.32935808 
O       4.09625004       1.30224999       6.19331002      -1.41407004      -0.35840897       2.07206831 
O       7.12598001       1.59321005       8.77536996      -1.03110213      -1.53234056      -0.71305988 
O       8.99215998       9.18302997       5.90203999      -0.01304909      -0.63066002       1.29834427 
O       3.93515001       1.87707002       3.84818997       1.79994986      -1.66245317      -3.70302905 
O       0.47350099      10.39430004       2.95354002       3.15464511      -0.29331445      -0.52460029 
O       1.87818995       9.10163003       8.47835003      -0.60012784       0.62661291       2.51550172 
O       4.12770999       4.12643995       6.06915998      -0.79591577      -0.91881349      -0.93197689 
O       4.07926000       6.30648998       6.23219999      -3.30744267       3.13317780       0.21479453 
O       6.72152004       9.30371001       9.40691998       1.80040010       1.53770766      -1.84536313 
O       4.20869997       9.12111004       7.07950004      -2.75380863      -0.94278470      -1.61238619 
O       9.40845997       6.12672001       4.01712999      -2.34680691       1.13818985       0.74958788 
O       6.30032003       5.83508003       3.14502996      -1.14472322       2.32879386       0.69919764 
O       3.60518002       1.33641999       1.38591996      -0.02741567      -0.42603069      -0.84775001 
O       8.86754997       1.29931002       1.14409004       2.45377216       1.83456778      -0.58415973 
O       8.95223998       3.97165998       1.48958003       1.39115327      -4.30817246      -4.24833690 
O       6.89901999       1.03767005       6.22287001      -3.39756635      -1.62984591      -1.49909129 
96
Lattice="10.50619915 0.0 0.0 0.0 10.50619915 0.0 0.0 0.0 10.50619915" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01614279457971729 0.008108376811486176 -0.020220306631252526 0.008108376811486176 -0.003624134951551529 -0.013917381548649797 -0.020220306631252526 -0.013917381548649797 -0.017743631408006128" pbc="T T T" energy=-925.49232212 free_energy=-925.49232212 config_type=crystal 
Hf      10.32460002       0.15123495      10.01999999       0.85546535       0.16820174       2.01872053 
Hf       4.84013997       0.29767498       9.95409996       1.63828067      -1.67037333       1.91055289 
Hf       0.49029301       8.13099999       8.01825996      -0.87608909      -2.43469900      -2.42233357 
Hf       8.03207004       2.36293002       5.00217004       0.97030642      -0.37543357      -3.48444837 
Hf       0.26753595       5.06743003       9.78124998      -0.58441307      -2.78849824      -0.81992516 
Hf       0.11292399       8.12712005       2.58904003      -5.44967350       0.75344827       0.99282184 
Hf       2.25981998       5.49241997       2.42882995       2.48257376      -1.65143970      -0.88105543 
Hf       8.06023002       5.16209005       1.82513996      -4.34275404       0.22254815       4.32415869 
Hf       7.33227996       8.09768998      10.36810000       2.02746177       3.23891355       2.50644075 
Hf       5.21263999       7.59486003       8.05436998      -1.05781911       0.76694960      -2.60114556 
Hf       5.42539000       7.66273995       2.63309000      -1.96872012      -1.07184361      -3.68311711 
Hf       5.12683996       4.62269001      10.12199995       2.71811701       4.48087468       1.46739201 
Hf       2.96404998       7.59174000       5.24957002      -3.56441686       3.90489404      -0.84337270 
Hf      10.09349999       5.59304005       4.96228000       0.81720678       0.32967462       0.13648982 
Hf       5.37017005       5.32367003       4.99778002       0.98882420      -1.90502748      -3.11941847 
Hf       2.79035005       5.11581003       7.45463999      -2.99737414       0.66527775       1.11485648 
Hf       2.66990005       7.73968000       0.00495966       2.34095578       0.17683497      -1.45013368 
Hf       2.89783004       0.20660997       7.41999002      -1.79783219      -0.88494688      -2.27949514 
Hf       5.30703998       2.38676996       2.62908000       0.77736302      -0.82530170      -0.89773414 
Hf       0.17677699       2.48828999       7.09268997      -0.20206586      -0.04731330       6.49697657 
Hf       0.22923297      10.50527450       4.90494998       1.03518741      -3.20132201      -3.39287862 
Hf       7.88042997       5.76552998       7.58734001       5.13714760      -3.45346511       4.55337809 
Hf       7.87657998      10.25029997       7.66914999      -1.16076871       0.72639082       1.96188869 
Hf       8.00541004       2.32011999       9.86516005       0.27478107      -1.51829498       3.45768215 
Hf       7.91988002       7.99927999       5.13227997      -0.35643826      -2.48840752      -1.96656487 
Hf       2.85931999       2.96844000       5.10285000      -4.42832422      -6.31542149      -6.10580513 
Hf       5.87380004       2.57674000       7.23751005      -3.81762739      -0.96683932       1.92968154 
Hf       5.33979001      10.03340002       4.84318004      -0.29142040       3.29794302      -0.47455239 
Hf       2.70621998       2.61463996       0.01190762      -2.81744304      -2.96321501      -2.75971277 
Hf       2.66591000      10.34780002       2.54836003       1.70406420      -1.15477375      -2.78446856 
Hf       0.12462002       2.92902000       2.70741001      -1.84211168      -3.39420763      -2.86914806 
Hf       7.92077998      10.50207305       2.25078003      -0.75375758       1.88330104      -1.67458221 
O       1.75343999       3.84309001       8.64379002       1.08426874      -0.44278870       4.42949619 
O       6.67063000       6.66111002       8.92914995       1.38785621       1.38710769       1.89569446 
O       1.23791004       3.94398997       6.56981998       2.02097874       1.33922479      -4.40026331 
O       6.60645005       3.75265002       3.09268999       2.73246531       1.46833769       1.82840963 
O       1.83766997       9.15558995       6.59805003      -5.91383883      -1.38775970       1.89402411 
O       6.92108004       5.98449998       6.12713003      -4.00653559       2.24177667      -5.52406746 
O       3.81026003       9.48547998       0.46935898      -1.84574556      -2.91017034       0.45554166 
O       1.64369002       8.18894997       1.56355998       3.52531063       0.95749303      -1.76862275 
O       9.51321004       4.58299003       0.88907502       0.39000738       1.20036371      -2.00247407 
O       1.02236003       3.49860004       0.98937602       2.53800366      -1.55640583       0.54373943 
O       1.38583995       6.29652999       6.17755002       2.04816716       1.52107593      -1.59855249 
O       0.83502598       6.43138998       3.29834001       1.80649910      -2.01056039       1.47594798 
O       9.48502002       4.37928996       3.40515002      -0.98289534      -0.59888182      -0.05300311 
O       6.79239002       3.53463000       5.92214999      -1.84093533       0.96631420      -2.56112008 
O       9.47487996       6.28582995       8.84062997       0.32530636       0.44481240       0.80914328 
O       1.03930001       0.94773197       8.55516004      -2.79863441       0.33363165      -0.80769683 
O       1.54011004       5.81880997       0.61684102       0.85133131       1.72950027       0.84815129 
O       4.23940002       6.53211995       6.32984998       0.43868538      -0.85038472       1.16420836 
O       7.23339004       9.36242003       3.90230000      -3.66731087      -0.86677665       0.38077343 
O       9.53067996       9.51547003       3.40621997       1.63743919       1.99752931      -0.60524817 
O       9.17144002       6.90970004       6.30818000       1.79224984      -0.48983197      -0.40840011 
O       9.56931000       3.31314997       8.94152005       0.82279978       2.53143426       0.90622031 
O       1.54485999       1.03408999       3.39234002      -5.63362654       2.60648618       2.21824410 
O       1.71555999       1.45852005       6.06451004       0.84945396      -1.08735324       0.51449503 
O       9.12163003       1.44859999       3.35761000       0.24665699       1.46954429       1.34118374 
O       9.06530997       8.81662004       0.89920205       1.10575141      -1.48820073       1.14489408 
O       6.12225001       9.13793996       1.63378005       2.76987458       1.86326002      -1.87452401 
O       4.20514004       3.95734997       3.75441002      -0.76953477      -0.31487527       0.07052064 
O       6.28546003       8.40515999       6.38091999       0.46611007       2.14573140      -0.19173062 
O       6.30517996       1.33829005       8.82006996       1.17194234       0.96732841      -1.24237257 
O       9.03367003       4.21172995       5.95237002       1.31655766      -0.95041052       0.76607543 
O       4.18568004       6.54920997       0.95150202      -2.26200468       0.88466111       1.34799728 
O       3.83044002       3.76059996       0.86301502       0.69386296       2.75807516       4.52660374 
O       8.78238003       1.51390001       7.96447001      -0.60671272      -2.49145637       0.63936122 
O       6.90882004       1.56408004       1.29653001      -0.29826225      -0.10438108      -0.70536192 
O       6.51104998       6.77526996       1.14116003       3.54120971      -1.38565988      -1.29392410 
O       1.50835999       6.44880001       8.69349002       0.66195387       1.63161422       0.07989953 
O       4.51003004       3.13643003       9.29234999      -0.98591557      -2.52507653      -3.39299860 
O       6.77680996       4.09681997       0.75316599       0.11852734      -0.27025076      -3.35388416 
O       3.87365002       6.48430004       3.80099997      -1.09288029      -0.42585854      -0.00416698 
O       1.55640000       0.40775000       0.87844201      -1.20683186       1.24030440      -0.82866826 
O       3.25953999       1.11891998       9.08706999       1.54923878      -0.37064100       1.21234724 
O       9.93171997       1.50034996       5.69052003      -4.07699039       1.80637376      -1.05897516 
O       9.14788996       8.92230999       8.42796002       1.03181067       0.26291854      -0.49661888 
O       1.48110995       3.89702001       3.80417000       1.08787054       0.96947915      -0.10166334 
O       4.00712004       9.01532001       3.45187004       2.35985229      -0.13240910       1.20492963 
O       3.78764995       8.73835002       8.50497004      -1.81426895       1.14052288       0.89700025 
O       6.44104003       4.48661005       8.09222003      -0.82525539      -3.53994872       1.88504966 
O       4.24692004       1.25970998       6.37441003       2.44343270       0.64445715       0.62610333 
O       7.07755002       1.00406001       6.10494000      -1.06741270      -0.98052437       1.16039575 
O       9.04666000       9.45012000       5.65000003       1.13656340       1.98437322       3.69875681 
O       3.76311997       1.22746005       3.77267000       2.17731069       0.24694582       0.17219890 
O       1.48123004       8.90458004       3.99173003       0.21711476       0.51151698       0.35760981 
O       1.06579003       9.06557998       9.56189997       0.56319318      -1.00196843       0.58523233 
O       4.02312003       3.73821997       6.15161000       4.85077522       5.47839600       6.81900694 
O       4.01187000       5.89590004       8.91896997       0.66023166       0.86635809      -0.97682701 
O       6.28466996       9.30035004       9.14265997      -2.45813267      -2.29150664      -2.64092567 
O       3.78333001       9.34611998       5.94078998       3.36326699      -0.61043689      -1.02760343 
O       9.04341999       6.95820001       3.43617000      -0.76322053      -0.78466208       1.69881007 
O       6.51020003       6.40357997       3.59301000      -0.07020143      -0.53389013       2.87177883 
O       4.49746999       1.20533998       1.11793996      -2.58279304       1.72806685       0.16261513 
O       7.90680999      10.30800002      10.10870005       3.09991572       2.99193084      -0.64040797 
O       9.28954998       1.73695996       0.99645605       1.68458819      -1.10213578      -3.20484539 
O       6.46772000       1.09572996       3.62918999      -0.45718056      -0.31616848       1.77133870 
96
Lattice="10.50841369 0.0 0.0 0.0 10.50841369 0.0 0.0 0.0 10.50841369" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0011389541179853422 0.010846405442692627 -0.006164446398592711 0.010846405442692627 -0.0039041252873086487 -0.001680241663154345 -0.006164446398592711 -0.001680241663154345 0.015537474793240974" pbc="T T T" energy=-936.88640766 free_energy=-936.88640766 config_type=crystal 
Hf      10.40033571      10.32500005      10.31689995      -0.19249860       0.13765756      -2.98086464 
Hf       5.23979004      10.34020005      10.10649997       0.34658717       0.73487726       2.49140469 
Hf       0.15054501       7.58421997       7.41516996      -0.33814983       3.98679320       3.19369150 
Hf       8.15029003       2.23831996       4.49068999       0.03518487       2.05513208       2.60415839 
Hf      10.16729997       5.16221997      10.12689995       0.66092055       1.14486387       0.05313801 
Hf      10.42450001       7.74623995       2.18430997       1.12506610       1.53519761       0.17571502 
Hf       2.54017005       5.16364996       2.58661997       3.48445451       2.33884103      -4.03997298 
Hf       8.05752995       5.45231997       2.69424000      -4.34769132      -2.13784202      -1.95609058 
Hf       7.68915005       7.54058000       9.98699997       0.75121447       1.78597750      -1.26937903 
Hf       5.18204000       8.03298997       7.60157997      -3.73132374      -3.70744387       2.19539666 
Hf       5.34504998       7.79873999       2.30324998       0.08293656       3.67768770       0.30669345 
Hf       5.44959997       5.27624005       0.06518632      -2.33985636       0.96957669      -1.03646978 
Hf       2.69943998       8.09425003       5.12203002       0.84938761      -1.25846896      -0.99950948 
Hf       0.26960701       5.00866000       4.75663997       0.71986802      -0.28879307       1.38956848 
Hf       5.40293999       5.81500999       4.92024000       1.83006470      -3.56777770       5.13693255 
Hf       2.19871995       5.06253002       7.69097999       5.14748071       3.77594296      -0.82521813 
Hf       2.53824995       7.59655002      10.31210002       3.44391978      -1.95347337      -1.15794177 
Hf       2.55595001      10.37929996       7.67109996      -0.80685371       1.28562212       0.08387890 
Hf       5.41047000       2.60927001       2.51941005      -2.79895200       0.90765524      -1.68241560 
Hf       0.27031602       2.45544996       7.41590996      -0.26173113      -2.09775673       0.46628680 
Hf       0.37623095       0.06481726       4.94972997      -0.48459239      -0.12233324      -1.28939360 
Hf       8.30517995       5.11041003       7.22286000      -4.20512079       1.73479818       4.87427962 
Hf       7.90977998       0.36886203       7.65613997      -1.90932322      -3.05150366      -2.46843810 
Hf       7.84984997       2.60635004      10.43281396      -3.40367059       1.38249014      -0.67815842 
Hf       7.97391997       8.42572995       5.24539995      -1.89018457      -0.67701420      -0.86380330 
Hf       3.03913002       2.93683997       5.06839003      -0.05792632       0.26163997      -1.65981905 
Hf       5.43512001       2.60446000       7.73421002       1.74833999       1.79922249      -2.20305213 
Hf       5.24119995      10.44110005       4.80405005      -1.70102754       0.17993878      -2.02269816 
Hf       2.82703997       2.64297995       9.90837003       0.54723458      -0.73238540       1.08065087 
Hf       2.39634002      10.32219998       2.08443002       0.71767506       1.19986172       2.76546761 
Hf       0.23055901       2.46427997       2.27115003       3.11957545      -1.47876028      -0.67102146 
Hf       7.98878002      10.33810005       2.24564002      -2.31636251      -0.34465487       1.59530361 
O       1.49176999       3.91959995       9.03102005      -1.43070770      -0.91092549       2.62686547 
O       6.42925998       6.59473996       8.77921996       0.27300005       1.33177224       1.25368040 
O       1.27520998       3.82262001       6.37507996       0.80215742      -2.98705980      -1.68786108 
O       6.74874003       4.03080997       3.55639996       2.96586715       1.19925055       0.48891929 
O       1.20519998       9.05569002       6.13927998       1.12866776      -1.04393950       1.33235252 
O       6.14406005       7.57800004       6.05946995       1.70899690      -0.24668302      -1.87791501 
O       3.76663002       9.36919005       1.21372998       2.72214726      -1.94118655      -2.24144646 
O       1.29680004       8.68935999       0.84041595      -1.58050686       2.03675189       1.21317457 
O       8.75971004       4.38461995       0.90841905       2.40742215       0.01574366      -2.20360994 
O       1.48193002       3.74483000       1.29471002      -2.38242821      -1.74928244      -1.51720054 
O       0.75866796       5.96730002       6.51045996       1.02162873       1.23825662      -1.27037069 
O       1.77251004       6.57090005       3.99391997      -0.96291290      -0.62649677       0.13056909 
O       9.36339003       3.45823004       3.13263998      -0.68704435       1.21858609       2.71115499 
O       6.49775003       4.82217002       6.53397001      -1.67937033      -0.03583133      -1.17809274 
O       9.14317004       6.28210005       8.82053999       0.15148448       0.47264178       1.97975148 
O       1.48365004       1.28435997       8.85381005       0.44263857       1.31858012      -0.41612884 
O       1.24732002       6.33719997       1.28881995       0.41010700      -0.81731611      -0.32559286 
O       3.61394004       7.00473003       6.50066002      -0.40929301      -0.01102774      -0.02706491 
O       7.05401995      10.26280001       5.56857003       0.09321753      -0.47569215       1.77597232 
O       8.93389004       8.94601003       3.64089002       1.37356044      -2.28558651      -1.42520803 
O       9.12404000       6.91700999       6.60915004      -4.38756685       0.67346497      -4.09955576 
O       9.87283005       4.05483998       8.14454004      -1.47070886      -0.79684683       2.63157701 
O       1.66694000       1.26983997       3.58488995      -2.01065645       0.54674211      -0.88453794 
O       1.75208999       1.07821999       6.21730002       0.16347772       0.34909061      -0.29519567 
O       9.31007003       0.75850896       3.41746003      -0.07741528       2.20376103       0.43937098 
O       9.16647003       6.84791003       0.79758997       0.56189549      -0.04320696       0.80426653 
O       6.46187000       9.42836996       3.28912003      -0.49948761       0.25827378      -0.76340146 
O       4.48758003       3.76817003       3.78567999      -2.45044919       0.11922991      -0.43470059 
O       5.97120001       9.54927998       8.46967004       0.42402869       0.12022069      -0.14752589 
O       6.52734004       1.20311995       8.86494003       0.26706366       2.66381998       1.47872052 
O       8.96674996       4.12594001       5.86960004       3.59253069      -1.64215997      -6.56006032 
O       4.26659996       6.75815998       0.94387497      -2.71055816       1.51538531      -0.49664312 
O       3.73638996       4.37450004       1.13319003       2.60199418      -1.13292683      -1.72381509 
O       9.41885996       0.96725303       8.59501997       1.87314076       2.48170862       1.35666978 
O       6.76138995       0.85673195       0.83718598       0.26867265       0.24338215      -0.10346394 
O       6.50777002       6.41799002       1.48964004       2.94911709      -3.58453476      -2.15955862 
O       1.15570998       6.66627998       8.95466003       1.27609514      -1.14868761       0.46323603 
O       3.81510996       3.77431998       8.39103002       0.99307620      -1.32152991       0.62084707 
O       6.56957998       3.72294003       1.00279995      -2.31391134      -1.89041993       0.21190106 
O       4.57880998       6.44519000       3.44533002      -5.11976080      -0.60925656      -2.19652800 
O       1.30552003       0.76334105       0.77350804      -0.43136457       1.76159087       1.01715269 
O       4.05722003       1.30050005       8.43299001      -1.00479067      -1.72163561       1.71718063 
O       9.97559004       1.73807996       5.59189997      -0.93816916       0.77595208       1.15576785 
O       8.39963000       9.11001999       8.91013998       0.02861033      -0.62956573       0.93483813 
O       1.66663000       3.87612002       3.60504004      -3.66387294      -1.47663709       3.49024917 
O       4.08009001       9.39755005       6.38967005      -0.51718081       3.11849141      -0.61138326 
O       3.37848999       9.02091999       8.72425003       0.82452314      -2.18080906       3.66994364 
O       7.03648004       4.11216001       9.05255000      -0.00098864      -2.02455217       0.04566270 
O       4.54406002       2.13670003       5.90106003       2.02193918      -1.36342094       2.68453342 
O       7.36822005       2.07404004       6.54687004      -0.19066757      -0.08480455       0.14793288 
O       9.22259000       9.59982997       6.11252998       2.65146122       1.02197694       2.00940970 
O       4.26182000       1.10600003       3.53425999      -2.03932200      -0.02939028      -0.49659268 
O       1.22652996       9.18401005       3.44375996      -0.35331698       0.03749686      -0.03499693 
O       0.62740400       9.23801005       8.90514995       1.12798179      -0.48475583      -1.86006032 
O       3.35527996       4.87581001       5.52395005       0.17935616      -1.38083858       1.47613001 
O       3.94595999       6.19427997       9.14288999      -1.66931861       0.44120566      -0.31983274 
O       6.28627998       8.56844997       0.58421505       0.32430349       2.93954484      -1.49204891 
O       4.01565000       8.95307998       3.96536998       0.06195910      -0.06841344      -1.04718096 
O       9.76384004       6.09010996       3.35038997       0.93339821       0.71928209       1.31246332 
O       6.88333999       6.95685002       3.78091001       2.33546379      -1.71017045       0.65468683 
O       3.96443000       1.40693998       0.95625598       0.00010366       1.28523815      -2.38296823 
O       9.37630004       9.40178998       1.25950000       0.30959533      -0.62624609      -1.11895827 
O       9.31904001       1.76071004       0.92281905       1.15847236      -1.12742955      -0.33980314 
O       6.46269995       1.49602002       3.63349000       4.72796889      -1.37374363       1.29600290 
96
Lattice="10.5106467 0.0 0.0 0.0 10.5106467 0.0 0.0 0.0 10.5106467" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008733118376807611 0.0012534006512947865 0.01958083541646946 0.0012534006512947865 0.0023330735709609475 0.0023472210124513134 0.01958083541646946 0.0023472210124513134 0.010772383953138759" pbc="T T T" energy=-929.94351482 free_energy=-929.94351482 config_type=crystal 
Hf      10.37739997      10.23209995      10.22559996       0.61888304       4.03402961       1.48497908 
Hf       5.49272995      10.25179995       9.93530000      -2.30818753      -0.05477594       2.94150302 
Hf       0.31985895       7.89991000       7.56478003      -0.38894399       1.03674831       1.68219665 
Hf       8.43287999       2.62744001       4.68681004      -1.26212624      -1.71026277       0.66613483 
Hf      10.17430001       4.94038002      10.32680004       5.84565217      -1.40641070       0.44198423 
Hf       0.04764949       7.65322996       2.19868004       0.65748029       2.66575698       2.70246034 
Hf       2.76497003       5.14481998       2.25944997       0.01568991      -1.05798052       2.65300519 
Hf       7.84865999       5.28671003       2.46386996      -2.25909587      -0.03633346       1.63796650 
Hf       8.30683001       7.58415000      10.06760003      -2.84014997       1.82678692       2.25501555 
Hf       5.58453005       7.74916999       7.73611997      -3.51487071       1.47618069       0.76764649 
Hf       5.23057004       7.56563003       2.53040004      -0.72879508       1.63005343      -1.96875790 
Hf       4.91349000       5.09869001      10.04340000       2.06304305       3.60928548       1.15397740 
Hf       2.36944998       7.77239000       4.96156002       3.41198942      -1.56375909      -1.43327895 
Hf       0.10381198       5.30798999       4.85332002       0.09684072      -1.14209286       1.14226046 
Hf       5.29729005       5.60804005       5.06386004      -2.22847019      -0.28639164      -0.84889140 
Hf       2.70893000       5.04899999       7.71632001       0.08363763      -0.01934083      -2.77160431 
Hf       2.62475002       8.03012998      10.01500002       3.16407769      -3.41778306       3.59353544 
Hf       2.47613998       0.19629200       7.86327998       1.65493537      -0.65598268      -2.29574939 
Hf       5.52991999       2.73059002       2.75510001      -1.10390503      -1.36722391      -0.95191738 
Hf       0.08788456       2.63759003       7.56960999      -2.21683187      -1.20316603      -0.56347231 
Hf       0.46752397      10.31560000       4.86598997      -3.05015238      -0.84633115       0.62068496 
Hf       8.46606000       5.56958002       7.35349995      -1.80858288      -2.95206121       0.48090547 
Hf       8.08297005       0.09273123       7.64987002      -0.35134824       0.76493456      -3.10603286 
Hf       7.40210003       2.73502005      10.02600004       1.19559820      -0.96462098       1.91030893 
Hf       8.09854998       8.15426997       4.72853005      -2.35241877       2.33866618       2.23745280 
Hf       2.69110005       2.11658999       5.15320001       2.43912410       3.21967975      -4.64364292 
Hf       5.57587001       2.97478997       7.32498005      -1.47641601      -0.20432876       0.26349092 
Hf       5.22884997      10.40920004       5.58124001      -0.23265089      -0.97027267      -0.38273476 
Hf       2.61396998       2.54765001      10.41583468       1.45690758      -0.59543546       3.61921179 
Hf       2.82255997      10.26730000       2.06580003       0.39264700       6.76288143       6.89866066 
Hf      10.15560000       2.26423998       2.00377996       6.78035656      -1.77277130      -0.32248776 
Hf       7.38425999      10.43029995       2.12693005       1.92975180      -0.64662784       0.09460365 
O       1.40416995       4.20032003       9.05554005      -0.24371845      -2.02692770       0.34843034 
O       7.30501003       6.87435005       8.31798002       0.11042123       1.32082297       1.54207238 
O       1.24850002       4.39035000       6.20769000       0.63073086      -1.02521623       2.34074169 
O       6.98938004       3.98461002       3.82160997      -1.24795749      -1.27918470       1.19277841 
O       2.00558001       9.53741001       5.98088002      -2.38178928      -0.08572174       2.67595655 
O       5.68369001       7.62340999       5.81581000       0.74003732      -1.11067165      -1.20416852 
O       4.00679001       9.31083998       1.09037995       6.00673807      -0.79583622      -0.99480675 
O       1.84098003       9.01713005       1.22620999      -5.67991969      -4.93762560      -2.77478283 
O       9.17894997       4.22623003       8.87713002      -0.75160506      -1.61813011      -2.66278286 
O       1.36365004       3.59470003       1.60631996      -1.75063749       0.15773100      -3.89421744 
O       0.85528695       6.99970002       5.99800996      -0.23744148      -2.55047719       0.52687235 
O       1.11697000       6.30967995       3.62146003       1.35450169      -1.69089065      -3.32753530 
O       9.18132002       3.19829004       0.81046304      -2.95124593       5.12255461      -4.03608896 
O       6.61611996       5.11519005       6.52904997      -0.32213687      -2.13205606       0.57879620 
O       9.73954004       6.70597001       8.99943002       1.15068833      -0.80022667      -1.99619501 
O       0.87197502       1.28937004       8.92656002       2.49547485       0.69797911      -0.27245678 
O       0.91465497       6.66361001       0.77268199      -0.11232052      -2.27395836      -1.28355380 
O       3.44744997       6.10083004       5.63631001      -0.09241984       0.25486733       2.36482259 
O       7.21374997       9.77777998       5.75992005       0.00179042       0.14083376       1.81849045 
O       8.90246005       9.29863996       3.49234000       2.52482709       3.99648935      -1.42779094 
O       8.97333996       6.46711998       5.74449999       0.10929825      -0.45556148       0.97648386 
O       9.43528005       3.83893004       6.12968996      -1.86582843      -0.30936478       0.61174256 
O       1.58233004       0.92335600       3.74580004       2.26403311       0.13882147       0.44470016 
O       1.43674003       1.33117004       6.40363999      -1.65231862       1.49804290       1.49930211 
O       9.77053005       1.48168996       3.66749004      -1.75683378      -0.34102534       2.88519364 
O       8.69664004       5.66158003       0.67882003      -1.90505192       3.66557326       0.75043506 
O       6.60971004       9.08035001       3.44771999      -3.38880302      -0.63620269      -1.85677579 
O       4.50231003       4.42423001       3.40532004       0.27852215       0.18215695      -0.54727165 
O       6.28171995       9.59761005       8.32457997       2.65784528      -0.77571266      -1.23614265 
O       6.26146005       1.50460002       8.69897004       0.81836914       0.83876533       2.51577273 
O       9.23993001       4.11615003       3.42944996       2.75807347       0.24076801      -0.26973828 
O       3.69399001       6.53230996       0.94873501      -0.12523489       0.72903536      -0.90428323 
O       3.72316998       4.21299996       0.62007098      -3.20966530      -2.20697472       1.81332673 
O       9.03302005       1.51228005       8.61393996      -1.23868773       2.14001839       1.69571801 
O       6.01358001       1.26995004       1.20417999       2.38267069      -3.06864002      -2.58740780 
O       6.29045998       6.87732004       0.96470699       1.01220705      -2.20406866      -0.08691928 
O       1.87632996       6.75166999       8.45363000      -1.41586314       1.50664110       0.43126692 
O       4.19296005       3.58538003       8.90616001      -1.72745751      -0.45137658      -0.77149579 
O       6.39231003       3.74160997       1.12162001       1.01565682       1.14732617      -0.02404448 
O       3.58851998       6.91926005       3.43175999       1.38836430      -1.51679007      -1.42038465 
O       1.28676004       0.84764498       1.01338999      -0.94086332       1.91736645      -0.86240117 
O       3.85285003       1.93410005       1.60466001      -2.70921856      -0.31193255      -1.16280623 
O       9.41524003       1.06208004       6.36717004       1.11288268       1.03942250      -1.84106053 
O       9.19841001       9.32403999       8.92089005      -1.63518063      -1.31636479      -1.67002047 
O       2.09962003       3.65527005       3.69378001       0.29809544      -0.60234447       3.21237860 
O       4.12585998       9.47713996       6.99052002       0.95199761      -3.09320239       1.25441157 
O       3.66701002       0.71597201       9.44582002      -0.99815989       0.08955202       0.41133993 
O       6.54785005       4.26214996       9.14738997       0.84330732      -0.83013911      -1.81226714 
O       3.81019005       3.80243003       6.43512000       2.50239768      -1.76146799      -0.74496092 
O       6.80351996       1.65055002       6.34528004      -0.88341117       1.91012848      -0.92160016 
O       9.86135003       8.93271001       6.22372998      -2.00681277       1.02906891      -0.27951256 
O       3.97154003       1.13531003       6.79259004       0.40866212       3.59748334      -0.95907952 
O       0.87600102       8.47674996       3.86848997      -1.47399037       3.77144156      -1.28275251 
O       1.24793003       9.15655000       9.03916005       1.31914050       0.99193606      -1.26478895 
O       4.09463001       6.42517998       8.45654996       2.91714251      -2.62268142       0.28295003 
O       4.64848002       8.32305004       9.70214001      -0.20227157       1.53189449      -2.57479315 
O       7.25972995       9.03397000       0.46030999      -2.33093952       3.09652576      -0.36034602 
O       3.34052001       9.21168002       4.06618000       2.89744677       2.86103961      -2.34550269 
O       9.00445001       7.05271005       3.42738000       1.36341902      -5.33098843      -4.66192022 
O       6.58210005       6.37947002       3.62819000      -0.86076933       1.34700655       0.03497105 
O       4.54521996       1.21918005       4.18579000      -0.51095455       1.64133471       0.53991601 
O       9.57852997       8.93244997       0.85842501       0.62157947      -3.73626380       1.11054671 
O       8.96493996       0.95341803       0.70252101      -0.20407581      -1.59748228       1.57172748 
O       7.20282006       1.52650999       3.32732999       0.19359377       0.40182912       0.93209651 
96
Lattice="10.51290575 0.0 0.0 0.0 10.51290575 0.0 0.0 0.0 10.51290575" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00350609899500039 0.0005623040795278594 -0.009773741600461633 0.0005623040795278594 0.015896918497838565 0.0009719362458443883 -0.009773741600461633 0.0009719362458443883 0.0022825130279169785" pbc="T T T" energy=-934.6035994 free_energy=-934.6035994 config_type=crystal 
Hf       0.22482900      10.47640000       9.98177998      -3.87560086       0.29661721       1.06939120 
Hf       5.63258004      10.11949999      10.12199996       1.36963310       1.01513205       4.83260254 
Hf       0.10301397       7.66839005       7.72386003      -1.83225665       4.76049960      -0.57322179 
Hf       8.05276995       2.78833000       4.71472000       0.16907972      -3.28604443       0.97432509 
Hf      10.37309998       5.17620997      10.29059995       2.44278584      -3.96557501      -3.76879053 
Hf       0.35978202       7.64867005       2.06008000      -0.72134520       4.77357594       1.14820832 
Hf       2.50313001       5.36203998       2.29213998       2.16934227       1.32373470       2.21868981 
Hf       8.05806005       5.12024998       2.31115005      -0.08397342       0.37418276       1.56543153 
Hf       7.91823998       7.32149002      10.37280004      -1.26129212       5.56919995      -0.71824698 
Hf       5.08539003       8.01048999       7.87094000       1.02746793      -1.52659025      -1.69603793 
Hf       5.38501005       7.67009997       2.54853998      -0.00212536      -0.12494719      -3.04234951 
Hf       4.99995995       5.28677998      10.15029997      -1.30565228      -0.62990030       0.25729039 
Hf       2.57955999       8.15453004       5.07221000      -0.36582501       2.42712057      -0.85524700 
Hf       0.04120838       5.49363002       5.20108003      -1.50991497      -1.72445636      -2.67047322 
Hf       5.18634998       5.38259996       5.14583997       1.42656396      -0.11352330      -1.19444402 
Hf       2.63465003       5.44237004       7.46172998       1.56849866      -0.93874912       2.09241995 
Hf       2.92724996       8.26491997      10.47089996      -0.85495218      -2.99807427      -2.84590580 
Hf       2.64917004       0.31805104       7.50081002      -1.99297470      -0.29681416       0.97864912 
Hf       5.43503003       2.52847000       2.14810003       0.19157870      -0.47554280       0.63288726 
Hf       0.28301299       2.67846004       7.28024001      -3.94010528      -0.87660938       3.74538149 
Hf      10.41340005      10.16209997       5.05066001       0.09296098       5.63638868      -7.22908980 
Hf       7.87177998       5.29122999       7.35918005       2.18007980      -6.14613398       3.05342257 
Hf       7.85814999      10.28230001       7.22498996       2.41694862       1.89793599       0.57570001 
Hf       7.84362000       2.55899002      10.04560005       2.98632488       0.56343356       0.20471819 
Hf       7.76448000       7.75367000       5.00652000       0.47052986      -0.71420441      -0.25939783 
Hf       2.76479003       2.55405000       4.72894996      -2.06960626       2.33463282      -3.20475271 
Hf       5.20876003       2.43372002       7.71037996       1.60849514       0.39839852       1.52811806 
Hf       5.43670001      10.34149997       4.94172003       0.34225639       1.52142871      -0.76120304 
Hf       2.43192000       2.55066001      10.46189997      -1.32765799      -0.22309283      -0.47466144 
Hf       2.83497997       0.03742489       2.18731002       0.96983630      -1.40494779       3.27756159 
Hf      10.43929996       2.35151004       2.46217004      -1.65137186      -1.68211155      -2.37710589 
Hf       8.01584001      10.42770002       2.28544999       4.47682487       2.71078686       2.18332129 
O       1.76890005       3.87283999       9.05851999       0.27408882       1.21584866      -2.87683886 
O       6.34730005       6.36755000       9.35163000       1.20031382       1.14209920      -2.34730326 
O       1.25828002       3.77025001       6.10974002       2.18853438       2.34813664      -1.59836044 
O       6.69211000       3.79723002       3.35864000       1.83280345       0.36331908      -1.19810405 
O       0.94602800       9.26580001       6.25070999       3.66350757      -6.06317866       4.00476436 
O       6.56617002       6.40639004       6.58170000      -1.71219087       1.58990440      -2.40561961 
O       4.23065999       9.14675996       1.00561000       2.23132798       3.08423436       1.00778376 
O       1.90733000       8.86098995       1.46291005      -1.08817105       1.64504651       1.74300869 
O       9.62312000       4.10234997       8.59318997       0.72224392       0.16621613       1.10044526 
O       0.38057297       3.06404998       0.53062704       0.62571381       1.46957593       0.93767080 
O       1.47483999       6.59709005       6.08633997       0.16042305      -0.44220637       2.67546327 
O       1.24581003       6.92895000       3.89178004       0.82978528      -0.61201709      -2.18842690 
O       8.62866998       4.47472004       0.35356101      -1.79593919      -0.38970908       2.04102489 
O       6.90882998       3.86978999       5.94636000      -3.13264833       2.12271509       0.26776297 
O       8.88595001       6.60463001       8.97806997       2.76939551      -1.45183224      -0.80673633 
O       1.04669002       1.20472002       8.60874003       1.21946248       1.70034411      -0.35041086 
O       1.86414004       6.75202999       0.76669497      -2.69003785      -3.28175185       0.93152153 
O       4.12181998       7.01676998       6.34745995      -0.71732320      -2.10248767      -1.25785386 
O       6.51386001       8.93985998       6.38331999      -0.80093811       0.25517602       0.29035347 
O       9.92227998       9.20916004       3.10439000      -0.49986134      -1.50074603       0.20852094 
O       9.22217996       6.66520001       6.69950005       1.25099313      -0.14682206      -3.03179275 
O       9.23513996       3.98162996       6.31167002       0.89575029       0.89418294      -2.16191499 
O       1.29367003       1.39312002       3.22058999       4.15049877       0.53434783       2.82203573 
O       1.09903000       1.07047000       6.09219997       0.72442457       2.37398363       0.28660462 
O       9.08666997       1.05173001       3.61586000       1.67798363       2.76376931       0.66705977 
O      10.07410001       5.87779998       1.66528001      -1.52936419      -0.71810737       0.13110081 
O       7.31262995       9.18625000       3.83418004      -2.44754686      -1.40383363       0.21983851 
O       4.01490005       3.57534000       3.45082000       0.38089143      -1.34538799      -0.48653357 
O       6.82448998       8.89578998       9.12228002       0.61205333      -1.12919892      -0.35078128 
O       6.63812003       1.09751004       9.51182996      -2.39862555      -0.73795986      -1.92124708 
O       9.62294002       3.69365004       3.71900002      -2.66659444       1.51794942      -0.14125522 
O       4.26399000       6.74217004       0.84961299       1.51351316       0.11698676       1.70047632 
O       2.92447003       4.37788997       0.76970902       1.94418822      -2.56541564      -1.56439890 
O       9.16675004       1.21289002       9.38067999      -0.40549681       0.64188070      -1.05246695 
O       7.41285001       1.72014004       1.42367000      -2.77045544       0.58090318       0.96719803 
O       6.96237999       6.35709997       1.16804996      -0.11177151      -0.61047900       2.37594034 
O       1.24294999       6.44515995       8.55802998      -0.33226449      -1.30029719       1.81349825 
O       4.73246001       4.22287003       8.38856005      -2.61090808       2.10030014      -0.21060456 
O       5.99406000       3.78376004       0.48323602      -0.94234960      -0.81716746       1.81800719 
O       4.34396998       6.10230004       3.36422004      -3.19839446      -0.23356682       0.96748578 
O       1.65789995       0.75928400       0.96257595      -1.38937457       2.23933124      -4.83825514 
O       4.11324996       1.45709000       0.92031796       0.61760459       0.86384056       0.88289219 
O       8.78255999       1.16521000       6.02443000       0.80969120       0.82747146       2.48321618 
O       9.64978999       9.48794002       8.31662002      -0.49967042      -1.42573270      -0.58880687 
O       1.39755005       4.11910996       3.28021004       0.23884027       0.04527364       0.57432473 
O       3.73422996       9.45009997       6.46061004       0.10972919      -0.63730485      -0.83113248 
O       3.62526001       1.72600004       9.01232996       1.17382259      -0.91089957      -3.61389909 
O       6.95752996       3.29460999       8.47614002      -0.14843832       0.82805349      -1.54071137 
O       3.68569997       4.41328997       5.87655998      -0.72126581      -0.85632360       0.56468883 
O       6.11831003       1.12230998       6.46491002       0.15734188      -1.50862372       2.56007818 
O       8.91066995       9.30195999       5.73154002      -2.52634164      -3.29449746       2.16515340 
O       3.62552000       1.49983001       6.00205002       1.80279234      -0.08986392       2.65124853 
O       1.82203995       9.69302000       3.92171996       1.74146484      -1.66743494       1.25030713 
O       1.87212995       9.45781003       8.98676005       0.17885331      -1.51317162       0.64128433 
O       3.71028997       6.83424995       8.97214995       0.35372007      -0.32375510      -1.93756286 
O       4.41541001       9.60269995       8.79795005      -2.01729545      -0.36418347      -0.77438079 
O       6.77035998       9.22731005       1.44603999      -1.92287140      -2.15333013      -3.30207205 
O       4.43671998       8.78710998       3.84238999      -0.74734230      -0.58082665       1.14519733 
O       9.07237999       6.44975998       4.02236999       0.20658584      -1.16891004       0.46733418 
O       6.56527999       6.44083000       3.55374996       2.15433027       0.51150099       2.78761272 
O       4.36056996       0.82860305       3.40183995      -0.36672884       0.99828450       0.51368137 
O      10.03590000       8.48335996       0.34720595      -1.65015307      -1.13571483      -0.45291001 
O       9.60374998       0.64325905       1.22782003       1.15609878      -0.35386816      -0.52105867 
O       6.80302000       1.02681001       4.23445998      -0.84296150       1.42017902      -1.98033647 
96
Lattice="10.5151759 0.0 0.0 0.0 10.5151759 0.0 0.0 0.0 10.5151759" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.006026822002419772 0.020378506024945738 0.0007659229288886152 0.020378506024945738 0.0047183438903417065 -0.012784098678067542 0.0007659229288886152 -0.012784098678067542 -0.005318348782136967" pbc="T T T" energy=-922.89234578 free_energy=-922.89234578 config_type=crystal 
Hf      10.48444246      10.49936255      10.46809998       0.60032564      -0.64373186      -1.34451197 
Hf       4.93364998      10.24100005      10.32100003       1.64715228      -0.11762423       0.93940551 
Hf       0.15854404       7.89397998       7.93933004      -3.68380289      -3.76766649      -5.26449457 
Hf       8.05569003       3.15311997       5.03617000      -0.95232275      -1.34144187      -1.58666411 
Hf      10.35070004       5.25533003      10.10160005       3.45447420      -3.81055098      -2.20651325 
Hf      10.43010003       7.72274003       2.46809002       2.08270090      -0.02271151      -3.05983930 
Hf       2.91316997       5.00190998       2.43422000      -1.44933789      -0.31439468      -1.00331286 
Hf       7.87537001       5.08324002       1.84640001       2.89923621      -3.28962300       3.87779443 
Hf       7.86202005       7.91277996       9.97882002       1.83934400      -0.57996094       0.86968605 
Hf       5.31608997       8.22383001       7.59498001      -2.65647051       0.35741108      -1.73641553 
Hf       5.21231002       8.01248002       2.42219001       0.88744043      -1.80507628       1.72696694 
Hf       5.39758995       5.44968002      10.32859998      -1.88357697      -3.11468739      -2.84652745 
Hf       2.64897996       7.77485997       4.78828997      -2.15966280      -1.39149293      -1.54902945 
Hf       0.10055305       5.36701003       4.77773000       1.06007765      -1.35953774       0.32908293 
Hf       5.64237998       5.22596997       5.07573997      -2.01683707      -1.37668632       0.26745087 
Hf       2.99543997       5.45466001       7.58655998      -1.10707589      -4.58006292      -0.40206474 
Hf       2.54862995       7.44972999      10.11299997       0.67792362      -0.39137805       2.61788749 
Hf       2.47952001      10.47610003       7.09998998       1.13753779      -1.83609175       2.54266230 
Hf       5.46270002       2.65260002       2.77583998      -1.21787008      -0.13491901      -0.88297286 
Hf      10.48170000       2.86611003       7.73536002       2.27399420       2.28726714       0.27319672 
Hf       0.21467804      10.32330002       4.64173996      -0.59190376       2.34591070      -1.62214482 
Hf       7.58108000       5.48439998       7.54375996       2.98336382      -3.20715046      -0.70749747 
Hf       8.32465004       0.11847701       7.10842999      -1.89901517      -3.52659650      -1.54921730 
Hf       7.70865001       2.55813000       9.92389999       3.79993985       2.21151162       2.26138908 
Hf       7.89591004       7.54921996       4.82314999      -0.38216491       1.67952225      -1.45597522 
Hf       2.71333000       3.04165995       5.17722004       0.50078435      -2.53084911       1.24612677 
Hf       5.50790003       2.08718997       8.12957996      -6.81892519       5.98506226      -4.89938858 
Hf       5.33594999       0.52372495       5.14208000       2.76413252      -1.45901605       2.89292283 
Hf       2.47213005       2.10917005      10.12030003      -0.83826965       6.79254069      -1.54578243 
Hf       3.03562003      10.42229998       2.16198000      -2.78256704       2.25595593       4.61634265 
Hf      10.37070001       2.58135003       2.41707995       3.76492707       0.72159652      -0.95512020 
Hf       7.72789004      10.29679999       2.25128002       1.13397977      -0.15538638       2.08437688 
O       1.32298999       4.13026004       8.76413003      -1.52699161      -2.50254465      -0.72742479 
O       8.20504002       5.54441997       5.48885000       0.58646114      -0.78592168       1.52677249 
O       1.68295001       4.14877001       6.21456002      -2.53713851       3.07628445       2.51948523 
O       6.96935995       4.12823997       3.67993996      -2.76872855       0.15407450      -0.74842944 
O       1.45316997       9.01337997       5.93926998       0.24883226       4.73822104       0.55916517 
O       6.68702002       3.79152995       6.37802000       0.11727461       1.12257221      -0.18741739 
O       3.45177999       8.97979997       0.86877897       2.21447197       1.65290204       0.43036934 
O       1.06614998       8.48188000       0.84881202      -1.36151372       1.39001674      -2.12691656 
O       9.02118002       4.10485001       8.79854999       0.59908804      -1.19495719      -2.25467202 
O       1.42847003       3.54534003       0.93761605      -0.05578077      -0.73967911       1.21332212 
O       3.41775004       6.80446002       6.20671002       1.66300153       1.32505394       1.26061065 
O       1.62521002       6.32678996       3.30707003      -2.73858732       3.12841697       2.06553354 
O       8.98050995       3.79805998       0.54036795      -0.15395095      -0.05374941       1.85074338 
O       9.04100996       0.63515395       5.34503005      -0.45949215       0.46792986       2.96403556 
O       9.23055999       6.46653003       8.86204998       0.03119456       1.77159385       0.03188133 
O       0.51253396       1.77345003       9.32785997       0.32495415      -2.61309849      -0.27202491 
O       1.69154995       5.95200996       0.85449001       1.71158489       1.09352356      -1.63499105 
O       6.12417998       6.69082998       6.59710001      -0.17013736      -1.30934169      -5.14629233 
O       6.82780003       9.63399995       6.29468997      -1.13605963      -2.30166581       0.50455080 
O       9.45999998       8.97814004       3.47771998      -2.14054668       1.73428359       3.15937189 
O       0.91642103       6.94977996       5.94269004      -2.19037181      -3.69766898      -0.71668501 
O       9.82134001       3.42912000       5.73454003       0.95919206       0.46866606       1.95599439 
O       1.25214999       1.17436997       3.33138995       1.58628704       1.18798285       2.07046023 
O       1.47452997       1.54753999       6.60310996      -1.21111324      -0.09505990      -1.07056777 
O       9.46005003       1.02450000       3.05170005      -2.37993436      -0.57966585      -1.00684311 
O       9.55963999       6.16248003       1.02201001      -1.72794736       2.11026170       2.53491097 
O       6.90261004       9.24032996       3.96161996      -0.42937412      -1.45204225      -2.86341141 
O       4.09156998       3.70222004       3.98469005       1.81464106       0.17632718      -4.35631666 
O       6.75808999       6.82704998       8.54057003      -1.01483939       3.69268191       6.24545283 
O       5.96014996       9.64963003       8.72679001      -0.06956688       0.44411230       0.39809244 
O       9.31542998       3.99777997       3.38409002       0.39682551      -0.54628515      -0.60030073 
O       4.55079999       6.84855005       0.72944501      -3.04217814       2.90779224       1.59856355 
O       4.83068001       4.40971998       1.35994000      -1.66187769      -0.40578502       1.66231015 
O       8.87574000       0.86014002       0.53947395      -1.53113290       1.35337245      -0.49892110 
O       5.88265995       1.62602001       9.87055997       1.98219811      -2.49836405       2.90373622 
O       6.86707001       6.46747997       1.04628997       0.15955242      -0.08579100      -1.98517913 
O       1.25837003       6.30062999       8.61698003       1.11801785       4.22805309       1.45549641 
O       3.88694003       3.76543002       9.31330002       0.56770187       1.03627277      -0.26744282 
O       6.75578001       2.94646995       1.40042995       3.05568873       0.67657245      -3.03215699 
O       4.05535003       6.21488000       3.61483998      -0.85761206       1.27484871      -0.72842740 
O       1.35487000       1.17236998       0.89685702      -1.25250417      -5.19238296       1.69166542 
O       3.81400004       1.27183997       0.90819501       0.55426631      -0.72317920      -0.21791837 
O       8.71710995       1.62588005       8.22372002       0.30429349       1.69618357       1.89068385 
O       9.01452003       9.17918001       9.00381999       0.58988378       1.01223873      -1.02733786 
O       1.42345997       3.99744002       3.78918002       0.02224037      -0.71586828      -1.40710639 
O       4.16436002       9.78746001       6.24398001      -0.39427636      -1.55714629       1.11678456 
O       3.60792005       1.33768001       8.56699004      -0.45805240      -3.17172747       0.70303248 
O       6.50083000       4.16796999       8.84693998       0.49507755      -1.42149583       1.31563764 
O       4.07280996       4.41216003       6.10842004      -0.04153617       1.12483016       2.34259008 
O       6.68218997       1.35537999       6.88652003       1.67473736      -0.99372962      -1.64809130 
O       8.93998005       7.87596002       6.37654998       1.78760807       1.25948302       2.12971123 
O       4.27996996       1.93745996       6.22100004       0.02497036      -1.35941200      -0.74648569 
O       1.23783999       9.32049997       3.46916999       4.12852466      -4.23436880      -3.63879005 
O       0.94294598       9.48468004       8.35639998       0.09617664       4.51237606       1.94654169 
O       4.24356001       6.57953000       8.71852003      -0.06108629      -0.58836452       1.00316065 
O       3.08491002       8.78621001       8.64773997       2.62423230       1.07174103      -0.01978264 
O       6.52140999       8.88837998       0.44939895      -4.62843812       2.03396372       1.69830824 
O       3.99804001       8.93995996       3.84772000       0.68821779      -0.14283583      -3.28960247 
O       9.18773000       6.51959002       3.49397003       0.13541277      -0.67936499       0.56934884 
O       6.30298003       6.44071001       3.74064996       2.09491675       4.40506952      -2.13031948 
O       4.35994997       0.93377401       3.61502999      -5.35546377       1.93004659      -1.26859360 
O       8.65536999       8.82381995       1.17643998       2.64321793      -0.67400647       0.21856393 
O       5.72860001       0.17467295       2.22914999       0.58844185      -2.36620416      -5.33382792 
O       6.69041999       1.56392001       3.78474997       2.69951496       0.54381608       3.48756974 
96
Lattice="10.51746411 0.0 0.0 0.0 10.51746411 0.0 0.0 0.0 10.51746411" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0030106709880658874 0.002780679172421987 -0.0020396975511777484 0.002780679172421987 -0.0029966312126079426 0.007906250338164965 -0.0020396975511777484 0.007906250338164965 -0.0001134850225870928" pbc="T T T" energy=-933.09863675 free_energy=-933.09863675 config_type=crystal 
Hf       0.30111100       0.17793898      10.13770004      -1.53909198       1.35782976       0.12281984 
Hf       5.19185003      10.02909997      10.12360001       0.00339975       2.69971056       0.78656495 
Hf       0.08671123       8.06313004       7.48384999       0.58552252      -0.38413044       1.99699750 
Hf       8.20287001       2.93181001       4.82126003      -1.64772823      -1.88744403       0.44846371 
Hf      10.18950002       5.49306000       9.65338996       0.07613724       0.01756641       0.70293165 
Hf      10.28430003       8.36308001       2.01362004       1.96146730      -1.44240506       1.92774266 
Hf       2.69781999       5.45591999       2.46230999      -0.78946505      -4.34359129       1.72459334 
Hf       7.94978995       5.32671999       1.92308003      -0.72951253      -0.91465984       3.19148158 
Hf       7.76348002       7.79981996      10.29320001      -3.40296787       3.02493872      -2.45025951 
Hf       5.05745998       7.83654000       7.51605005       1.24374911      -2.02414536       1.76800149 
Hf       5.62137001       7.89650995       2.62354998       1.26203198      -0.06955230      -1.51143553 
Hf       5.44957996       5.23503000       9.91738998      -2.88757661      -3.62315224       3.05321307 
Hf       2.35154995       7.52443005       4.82214002      -1.89822245       2.38321874      -1.23456446 
Hf       0.02013011       5.13235000       5.53358000       1.65288082      -7.79964395      -3.05411817 
Hf       5.39447003       4.94025998       4.66845000      -2.81064422      -1.17537647      -0.25118936 
Hf       2.50400995       5.51564005       7.84630999       1.84110233      -2.94480193       0.19105078 
Hf       2.62926001       7.78204997       0.07643104       0.56948111       0.31757879       0.54141698 
Hf       2.66250004       0.03983584       7.73328995       1.35764831      -0.70594411       1.54267047 
Hf       5.52397998       2.37026998       2.09276995       0.44616757       0.55436195       1.71572167 
Hf      10.39100002       2.24449005       7.46664005       0.26601024       1.52114928      -0.59060079 
Hf       0.43675705      10.15789999       4.95923002      -0.85767867       3.64522837      -2.69528434 
Hf       7.74931005       5.26524005       7.47123997      -3.75397768      -1.87359705      -2.84879768 
Hf       7.94322001      10.43855053       7.52632003      -1.64856935       1.95724797      -0.57096938 
Hf       8.05678001       2.53817004      10.33660001      -1.07659152      -0.48688302      -0.36750893 
Hf       8.16140995       7.86016002       4.88965005      -3.77630750       1.27396100      -1.39245063 
Hf       2.79741996       2.29388995       5.15595003       0.86732824       0.33597656      -1.72067180 
Hf       5.17088998       2.37688999       7.86516002       0.97988129       0.60300835      -2.08067840 
Hf       5.23083995      10.27770000       5.14937998       0.22784122       1.55557988      -1.65509186 
Hf       2.35111999       2.84030997      10.42519997       1.63142795       2.77127461       0.01938358 
Hf       2.53381003      10.51020001       2.10531003      -0.44200597       2.44482842       1.92328738 
Hf       0.18433696       2.90468000       2.56107003       1.76081515       0.20868453       0.31231245 
Hf       8.05805999       0.27117903       2.12400998       1.96166922      -1.98603443       1.22777527 
O       0.73964803       4.03700996       9.37179001       2.66062492      -1.51934732       1.29368661 
O       7.05989995       7.11457004       6.57484997      -0.37344247       0.51603577      -0.25903603 
O       1.12699003       3.74620997       7.09390996       0.39906195       1.03642432      -2.10311408 
O       6.79428003       3.56038005       3.45400999      -0.36172475      -0.35430105      -1.47897299 
O       1.61396997       9.00693003       6.26096004      -1.05747065       0.36387158       1.01904570 
O       7.14974002       4.61708997       5.44693997       1.38693058      -0.03646957       4.46725098 
O       4.05646001       9.16820998       1.07081005      -1.49492699       1.37862186       0.76561845 
O       1.33527999       9.33360005       0.79472199      -0.16566399       1.79944513       2.13910929 
O       8.80545002       3.85192005       9.08849002      -0.62118988       1.81162638      -1.57291745 
O       1.57534995       4.11536002       1.56423004      -2.94360107      -2.45694249      -1.25239819 
O       3.90005996       9.21148998       6.81027004       2.51385885      -1.52035138      -2.67472075 
O       1.16104001       6.64113997       3.43513998      -0.97540089       0.27798850       2.91992485 
O       9.14668999       3.86668005       1.24621001      -0.19966426       0.13227972      -0.38982005 
O       9.37408997       1.06925999       5.82565997       1.79340687      -0.08710658       2.82351830 
O       9.35647995       6.26075999       7.85063004       2.68147047       0.79774284       1.58780190 
O       1.40740003       1.50181005       8.92200004      -1.22922082      -0.91527891      -1.10871049 
O       1.15606998       7.02922997       1.22605003      -2.70732304      -1.26585726      -3.03518127 
O       4.16036004       6.27689000       6.53223005      -0.60857307       0.99039485       2.82617954 
O       9.72671004       8.92326003       5.93430001      -2.18497591       0.09083689      -0.14912327 
O       9.37145998       9.81066002       3.36578004       3.08996870      -2.00937754       0.65929931 
O       1.24547000       6.32861005       6.34543999       3.52097553       3.30097613       1.84347765 
O       9.20991004       3.78507000       6.35085995       0.58676813       0.06162708       2.68610866 
O       0.97229002       1.01841005       3.13451005       1.37419503      -0.34369379       2.36179555 
O       1.54201001       1.13665001       6.29873004      -1.20201094      -0.67943034       0.41417452 
O       9.23907003       2.04797996       3.41474998      -3.16462354      -3.25097789      -0.73668630 
O       8.52801005       6.08298004       0.12063605       1.33578002      -0.76501750       0.13905613 
O       7.15043996       9.06425999       3.20374998      -1.38517329      -3.63991660       0.57993733 
O       4.51673001       4.47505004       2.96638996      -0.39797180      -1.35728805      -1.13352406 
O       6.49301999       6.50307995       8.98579004       2.91392253       2.80115402      -1.27747880 
O       6.47199001       9.27000000       8.78656003       0.19789119      -0.13073793      -1.67724212 
O       9.74741998       4.21970999       3.87846003      -0.44864934       1.67252619      -0.05470934 
O       3.33419998       7.06254004       1.89634001       4.05852144       3.58948708      -2.09934659 
O       3.47201000       4.44006001       0.39529605       2.06985584       0.33763585      -1.12532256 
O       9.27861001       1.31651000       0.82104205      -0.12498319      -0.42938358       0.95118881 
O       6.59691003       1.61694999       9.10134005       0.14515821      -0.34710324      -0.60726671 
O       6.25536001       6.16620999       1.17585995       0.03959072       1.33899271      -0.19982008 
O       1.15096996       6.89496003       8.92152002       1.01680002      -1.80391354       0.23116929 
O       3.40047000       3.75985995       8.33515005       0.27996268       0.45443203       0.28257150 
O       6.26664998       3.63392005       0.76552698       1.78514570      -0.08430110      -1.85638672 
O       3.27363001       6.07113001       4.38198005       4.04607422      -3.31254975      -0.70334064 
O       1.23980004       1.39116002       0.93752696       1.02303977       0.02368347      -1.51534654 
O       3.76402003       1.67108001       1.45108001      -1.05686490      -0.62359335      -0.14756786 
O       9.14940002       1.19652004       9.06387001       1.46184187      -0.97286939      -3.92289744 
O       9.00167004       8.88137002       8.58064996       0.92948629      -0.08279413      -1.22268502 
O       1.75875002       3.56894999       4.08584002      -0.45774452      -0.36026645       0.47858174 
O       7.02807999       9.70878997       5.82058004       0.90722060      -1.42971010       1.53724733 
O       4.01467003       1.29069005       9.13263003      -0.92708193      -1.68893225       0.15865493 
O       5.97987997       4.28828995       8.13398998       0.82732392      -0.63996786       0.72283705 
O       4.31144005       3.42951997       5.62280996       0.19388871      -0.42923833       0.81616775 
O       6.97632997       1.77878000       6.44584002      -0.59433221      -0.31577776       0.81260810 
O       9.50438000       6.55818999       5.29962995      -3.12282560       3.16655179      -0.60617539 
O       4.31011001       0.89486497       6.48486002      -0.93258148       2.54640717       2.17797038 
O       1.59409996       9.19899996       3.53926003       0.16549261      -1.03433208       0.24866789 
O       1.41174995       9.35277002       9.06102998      -2.38822224       0.87896552      -3.56653045 
O       4.04727995       6.54148005       9.43469002      -2.38385172       0.98254202      -1.76323048 
O       3.65949000       9.03005005       9.08458005       2.18048613       0.22007121       0.40981488 
O       6.41537997       8.88795995       0.78395600       0.28951404      -1.97727027       0.17921470 
O       4.59459995       8.78053005       4.03498998      -1.22779355      -1.48504826       0.75108512 
O       8.82188998       7.11880995       2.50097997      -0.14132938      -1.22100700       0.21914993 
O       6.62386997       6.31451002       3.99154002       0.43706740       4.59617776      -2.85868239 
O       3.62758002       0.60341500       4.12677000      -0.75116451       1.75348757      -1.32593595 
O       9.00313996       9.09603998       0.55641897       2.60936943       1.16121623       1.51421241 
O       6.40945001       0.83590901       1.05951997      -0.51533297       1.36035832      -3.67459051 
O       6.68313999       0.72738897       3.21668005      -4.20920118       4.11781029       5.30882642 
96
Lattice="10.51975291 0.0 0.0 0.0 10.51975291 0.0 0.0 0.0 10.51975291" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.019079470891752513 0.0019976230325979305 -0.009536471660890186 0.0019976230325979305 -0.006962000159776642 -0.005630783387349251 -0.009536471660890186 -0.005630783387349251 -0.0020704712370248064" pbc="T T T" energy=-933.52485836 free_energy=-933.52485836 config_type=crystal 
Hf      10.43460003      10.20010001      10.36939997       4.38454237       1.67476907      -1.40526385 
Hf       5.25972003      10.36229998      10.29669996       0.99044000       1.20742010       0.06360455 
Hf       0.13950697       7.74970998       7.66612003       2.24503672       0.88882157       1.05417384 
Hf       8.46913001       2.38624005       4.66938000      -3.82797237      -1.77207819       0.60634957 
Hf      10.48409999       5.65037000       0.07084706      -0.93276072      -2.19526124      -5.41514731 
Hf       0.05112000       7.71105999       2.54144996      -1.81431507       1.45588730      -0.11183570 
Hf       2.42636996       5.48021005       2.05676002      -0.10032881      -4.34875250       2.90897647 
Hf       7.65553000       4.98595997       2.53264997      -1.11181116       2.86026103      -1.95968952 
Hf       7.88777995       7.96831003      10.00649995      -1.11613297       0.06801767      -0.17774732 
Hf       5.51782995       7.97415996       7.31547005      -1.11324188      -3.02186772       0.68347531 
Hf       4.92513003       7.96235995       2.32203000       1.21544270       0.77909219       1.04594144 
Hf       5.19993995       4.44082995       0.07111900       2.28089902      -2.30524516      -6.69797881 
Hf       2.80850998       8.00146997       5.13574000       1.26278069       0.28895006       1.75513569 
Hf      10.25209999       5.16964001       4.99318999      -2.21764073       3.49496287       0.43928540 
Hf       4.90136001       5.46696999       4.91066000       1.77724460       0.51862182      -0.83819278 
Hf       2.52604999       5.16070001       7.63097995       3.21735924       0.13523758      -1.25313913 
Hf       2.85604001       7.54136996       9.80515998       0.33023256       1.72507092      -1.60685391 
Hf       2.85086998       0.25584702       7.90971995      -0.04479092      -2.14651839      -0.85582891 
Hf       5.13642000       2.42401996       2.70759999       0.16220858       1.56446523      -2.51461859 
Hf       0.21683199       2.56046999       7.49647996      -2.57569938       0.61474801       2.00257047 
Hf       0.45494597      10.27840001       5.24169001      -0.53101422       1.35683742       0.24766866 
Hf       7.98903005       5.32503002       7.53737003      -2.03928514      -3.50550671       6.07857189 
Hf       7.76792998       0.20446002       7.47335997       0.02275738       1.06856787       0.40471206 
Hf       7.98035998       2.16774005       9.94770000      -1.78979659       3.17588374       1.60386960 
Hf       8.27741003       8.38725004       5.14449002      -0.34415797      -4.77564611      -2.17766366 
Hf       2.33999995       2.77089997       4.73232999       2.50335278      -1.31497627      -3.47285409 
Hf       5.36601003       2.86948005       7.10519996      -0.62703844       0.00451694       1.80640586 
Hf       5.48139005      10.50940673       5.01878002      -3.88746603       2.56651391      -1.15410340 
Hf       2.70191995       2.55674000      10.21170004      -2.22828293      -0.51755549      -1.26886057 
Hf       2.50653995       0.30189797       2.33503999      -1.17735283       0.80342885       0.66523230 
Hf      10.41724991       2.86586999       1.77170996      -0.17660628      -0.70907947       0.34488247 
Hf       7.97904996       0.05957126       2.20023998       2.53118082      -1.58537480       4.43504790 
O       1.68279995       3.47378000       8.63399999       1.60046239      -0.10678647      -1.56892017 
O       6.48803005       7.19731997       5.67385998      -0.26669619       1.19185448       0.82446903 
O       1.05319001       3.91064998       5.55718003      -0.11420885      -0.79630625       3.28358531 
O       6.58757005       3.59044995       3.41008005       1.44937674       0.16266247       1.88513437 
O       1.48840996       9.48399003       6.81862001       1.02505378      -2.18467068      -1.82830155 
O       6.41672001       4.90345997       6.40193996      -2.51155873      -3.33646467      -0.75055898 
O       3.31934003       9.36102001       1.49812001       2.87642497      -6.15085458      -2.05053461 
O       0.81010997       9.65312998       1.44219995      -0.14441723      -1.68312101       2.98986098 
O       9.92765998       4.29490005       8.55332001      -0.76871261      -0.58180301      -0.79912071 
O       1.33381998       4.29401996       0.59684197      -0.04129201      -0.33191999       0.34153603 
O       4.55677004       9.30389996       6.30877998      -1.52358189      -2.68926509       1.83616648 
O       1.12953995       6.17777003       3.41629996      -0.70707360      -0.64177590       0.21229538 
O       8.97377002       3.97729997       0.75201201       0.34241957      -2.13393514       0.53915083 
O       9.24011996       1.03278000       6.07437001       2.31278857      -0.60498391      -1.82209402 
O       9.57128000       6.83872999       9.01402996      -0.79306321      -0.03080976       1.30681643 
O       1.39998997       0.95633895       9.09935999      -0.69273101       1.48688613      -0.16436333 
O       1.37969000       6.94643996       0.88966097      -2.74862329       0.90877351       1.41736246 
O       3.77037002       6.53918003       6.08621998      -0.18304699      -0.40352359       0.06122416 
O       9.64403997       8.92585002       6.45708998      -1.16504878       0.50886133       0.42476726 
O       9.45381002       9.55316004       3.97712998      -0.70337549      -0.43909635      -1.19561371 
O       1.15982001       6.51102002       6.45881995       0.06459470      -0.31305053      -0.46273999 
O       8.91340000       3.51747000       6.26750005       1.50691620       1.62585214      -0.29385049 
O       1.32202997       1.19650996       3.85983000      -0.19228352      -2.51370793       1.15127591 
O       1.61753004       1.27676000       6.45586001      -0.56687180       2.57452028      -0.82546303 
O       9.24380998       1.58148001       3.00814996       0.24035172       0.69996892       0.12890167 
O       9.23468998       6.12565002       1.37224002      -0.32383078       2.30459096       2.80046272 
O       6.74287001       9.33134999       2.94610004      -3.34151521      -3.81784877       0.70266176 
O       3.71862998       4.01747996       3.13138003       1.34639709       1.92690207       3.33683663 
O       6.87475005       6.67114002       8.93991998       0.72715212      -1.71437240      -2.29916824 
O       6.77639004       9.08925997       8.31807004       1.16563758       1.80584026       0.88991531 
O       9.18536002       4.13862996       3.63208997       0.75692870      -1.47869166       0.00973940 
O       3.57832004       6.37688002       0.79484497       4.18488579       0.40614779      -0.38323815 
O       3.93538002       3.41552003       1.00329997      -2.88132530      -0.90092271       0.06369613 
O       9.74121998       1.40370996       0.55950905      -2.08947683      -0.05898116      -0.66643066 
O       6.45943999       1.21186996       8.88360995       0.81919748      -0.90651526      -1.28826852 
O       6.25307000       5.47532005       1.03049995       4.02593991       2.94913726       3.29177806 
O       1.57928001       6.13027997       9.00944997       0.00648448       1.60137551       0.84777097 
O       4.32872999       3.92541003       8.59531002      -0.70290853       0.06166420       0.23487913 
O       6.16935002       2.65530998       0.86888299       1.72722439       0.59194319      -0.77940885 
O       3.65749002       6.82403001       3.69206003       0.15322519      -0.30909555      -2.62022465 
O       1.54397004       1.50739002       1.05401002       1.93187374       1.00722728      -0.01428657 
O       4.45711001       0.78175703       1.62785002       0.42486965       0.46927657      -1.10317225 
O       9.18190996       1.35062003       8.53227998       0.13467388       0.75876006      -0.58469250 
O       9.12168995       9.36911002       9.32728001      -1.21246393      -0.59099978      -2.96326051 
O       1.46159995       3.39964004       2.83295999      -0.17269229       1.26921973       2.48200140 
O       7.00084002       9.67767004       5.76711001       2.53921841      -0.49562497       2.03492059 
O       4.09085997       1.40556996       9.29252001      -1.33150656      -1.84038575       0.48705665 
O       7.04138998       3.89806004       9.11377005       0.10629161      -1.36339671      -0.71331813 
O       3.61753000       4.03301995       6.05323004       1.53938560      -1.78975399      -0.40158553 
O       6.76431000       1.48623995       6.15165001      -0.11347806       2.73171739       1.21178079 
O       8.89977997       6.30470000       6.31128000       3.52701662       2.56400333      -1.55859696 
O       4.35281002       0.98685697       6.49661995      -0.31409329       3.59374387       2.12521582 
O       1.29158002       8.68285004       4.12486002      -1.46144314       0.80717785      -1.00767693 
O       1.50807001       9.07335000       9.18657000      -1.85602023      -2.61350939       0.87650608 
O       4.15281995       6.68431001       8.27536005      -2.32477745      -1.11319514       2.81650058 
O       3.87378003       9.04156005       8.70492995       1.73339204       2.33773208       2.26329429 
O       6.03831997       8.44463003       0.32404805      -2.59086489       1.06468044       1.62179558 
O       3.95847004       9.25089997       4.21332999       1.13126372       1.29676493      -4.46387928 
O       9.27696003       6.65129998       4.06787999      -0.69689967       3.21483409      -2.67071641 
O       6.10825003       6.22262005       3.39587996       0.37789862       0.53770821      -1.08480063 
O       4.04402003       1.68469004       4.12456999      -0.84783839      -1.77381973       0.68477880 
O       8.76204001       8.51141005       1.25433000       1.66621836       1.73409660       1.38166863 
O       7.34868995       0.29801997       0.50130199      -2.43136732       0.80734728      -3.35766789 
O       6.75210004       0.97959098       3.76556996       1.10374047       2.65370551      -2.07997828 
96
Lattice="10.52203389 0.0 0.0 0.0 10.52203389 0.0 0.0 0.0 10.52203389" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.015639145163339536 0.0001337320225612919 -0.013179421791497907 0.0001337320225612919 0.0165897169106913 0.00123515886095746 -0.013179421791497907 0.00123515886095746 0.003956347182768728" pbc="T T T" energy=-932.4546536 free_energy=-932.4546536 config_type=crystal 
Hf      10.37200000      10.26389999       9.95673004       1.54627426       0.92069247       0.99272962 
Hf       5.18898005       0.48136095      10.44085577       3.29788875      -3.91710771      -0.35402080 
Hf      10.45500001       7.50756998       7.38855999      -1.30763595       2.93271900       4.16389679 
Hf       7.56447998       2.46208996       4.95337004       3.39374475       2.84480246       3.53439701 
Hf      10.51039999       4.91996005      10.05029997      -2.43780840       6.15541252      -4.54100623 
Hf      10.51019997       7.95749005       2.03386001      -0.53191424      -1.02659785       1.13905865 
Hf       3.03167995       5.54645005       2.49136005      -1.28314275      -0.91908408      -0.09316698 
Hf       7.88902002       5.38337000       2.11041002       1.38973339       0.59531770      -2.86308662 
Hf       7.74091997       7.95583998       9.97019004       1.00444650       0.86735197       0.14286764 
Hf       5.17300003       7.60149997       7.63808003      -0.47729741      -1.74905580      -0.87948636 
Hf       5.34020998       8.05468997       2.00076001      -0.22616707       1.00910723      -2.60346607 
Hf       5.42881003       5.02878998      10.09039996      -1.50069449       0.95067727      -0.40369007 
Hf       2.91957999       7.87701995       5.06342998      -0.94475338      -0.73038255       1.90521252 
Hf       0.24842101       5.47739005       4.67761004       1.41035384       0.57468724       3.04134276 
Hf       5.20142004       5.29263997       5.00132999       0.73566623      -1.15254081       7.41997504 
Hf       2.81326999       4.64973002       7.74382005      -1.58534609       3.20582785      -1.37867528 
Hf       2.73527005       7.70539001      10.13190002      -1.25688340       0.26896274      -1.14716924 
Hf       2.84630003      10.09490003       7.49910995      -1.46376670       1.01933648       1.25836447 
Hf       5.17552005       2.96367005       2.71416001      -2.85535551       0.91981242      -2.48616557 
Hf      10.20230000       2.40602004       7.31354999       0.05276649       3.67722649       2.46070561 
Hf       0.03497082      10.45769997       5.13615997       0.22478434      -1.92788399      -0.48117242 
Hf       8.24014997       5.17990995       7.40526004      -1.99312057       1.85246634      -2.18822519 
Hf       7.90034004      10.32289998       7.60324999       0.06359485      -2.92395459      -3.13931789 
Hf       8.11001998       2.67991005      10.24550000       2.37720594      -1.11795282       0.87777586 
Hf       7.82040005       8.19756004       4.43613999       2.65416793      -0.01240978       4.17159201 
Hf       2.57357996       2.39726002       5.40666999      -0.96317319       2.68858179      -0.83664823 
Hf       5.51352998       2.34475002       7.86555998      -2.04995842       0.66444687      -2.70993938 
Hf       5.42714997       0.06742740       5.01421001      -1.82611496      -4.19819032       1.79044787 
Hf       2.27150004       2.17036004      10.33479998       1.56116096       0.93607031      -0.07215156 
Hf       2.74184001       0.39588500       2.78474002      -3.36049019      -4.67115851      -2.38529759 
Hf       0.20301496       2.82406002       2.33241999      -1.53958139      -1.46220231      -0.67538871 
Hf       7.98060001       0.48569603       2.36837999       3.49838144       0.39572741      -2.92213229 
O       0.81965097       3.73276002       8.41765005       3.40812771       0.53902385      -0.95680782 
O       6.54816999       6.30628000       6.34066001      -0.52900658       0.85809192      -2.59746568 
O       1.79953000       4.36448000       5.89104003      -0.24889030      -3.08369186       1.30366012 
O       6.40542997       4.04441004       3.94742003       2.04861176      -1.01182858      -1.72974231 
O       1.94727998       9.55388998       5.79648998      -2.37703277      -1.21426187      -1.20342294 
O       7.02343005       3.68714995       6.56969996      -1.59943947      -1.52565044      -0.13982523 
O       3.42888000       9.34083005       1.38630995       1.65106304       0.41256070       0.36891519 
O       0.99800103       8.77506997       0.62608101      -0.23435143       1.24927251      -3.26090606 
O       9.09233002       3.97564002       8.72611000      -1.23565647      -1.22436104       1.67058140 
O       0.71797098       3.39080002       0.17082796       4.55520351      -4.92079931       4.81890835 
O       4.16246000       8.91279003       6.32182999       0.39204198      -0.62275306       1.63311149 
O       2.15996996       6.27139998       4.08196002      -2.54726907       1.69364067      -0.05234014 
O       9.12126003       4.00420998       0.81422497      -0.64490203       1.94069535       1.87047382 
O       9.15534995       1.42132002       5.96662001      -1.89497521      -0.80715200      -1.19229394 
O       9.28308997       6.32667002       8.83447001      -1.28890804       2.08510419      -0.73007748 
O       1.59891996       0.98509996       9.13070998      -1.37543375      -1.33511500      -0.06430558 
O       1.28247999       6.32973004       1.60182004       0.58212364      -0.19884451      -0.17116604 
O       3.79281000       6.15804001       6.44357003       1.08933817       1.45495708      -1.57728331 
O       9.38640003       9.27982004       6.44733997       0.90522008      -0.12217359      -1.10834195 
O       8.60948998      10.21169997       4.07016998       1.29355539      -1.61321467       0.52401980 
O       1.26253001       6.80021005       6.35532004       2.09700337       0.11503578      -2.65685992 
O       9.32304003       4.05994003       6.13294001       2.55530964      -0.93094991      -1.66872423 
O       1.09192996       1.35266996       4.06251004       1.48248121       2.01578211      -0.39558410 
O       1.05084005       1.08722998       6.70031996       1.15091042       1.72175717      -1.07848909 
O       8.93440997       2.39095996       3.00540002      -1.62171511      -0.51400364       3.13277398 
O       9.07757002       6.81042000       0.78319097       0.50556224      -0.35736833       1.98560547 
O       6.38861997       9.18889998       3.65386002      -3.31270483       1.80933190      -3.53159618 
O       3.80041996       4.22604002       4.05259997       1.17489630      -1.60944344      -2.19500949 
O       6.10621005       6.08839004       8.59795005       2.36964895      -1.72443289       1.30205321 
O       6.80898995       8.63897998       8.09423998       1.31603618      -0.42827531       3.94218304 
O       9.47384003       5.14709004       3.24748003      -1.46753519      -1.54415492      -1.05204983 
O       4.03524998       6.79335000       0.81918201       0.32932124      -1.03743682       2.71595724 
O       3.98541005       4.06061997       1.28770997      -0.32610654       0.68448211       1.23406023 
O       9.36651002       1.38366997       0.93228798       1.38377165      -1.16217925      -0.49449453 
O       6.81330998       0.92551705       8.69696996      -1.87641918      -0.44422598       2.60032466 
O       6.57958005       6.78717998       0.40864202      -1.85795840      -3.21329285       2.52642808 
O       1.27911000       6.34800997       9.09060998       0.48370131       0.61050151       1.31995654 
O       3.76820002       3.36215999       8.90163004       0.00289598      -0.13277625       3.65459251 
O       6.50778000       4.07894998       0.97417398       1.00617467       0.91562422       2.88224638 
O       4.44935998       6.59323996       3.96076997      -0.13819454       4.87377291      -5.05242560 
O       1.26312997       0.89354701       1.29351003       2.58022626       2.98652459       0.13137839 
O       4.40601004       1.59210999       1.25443004      -2.30739395      -0.11610811       1.30277086 
O       9.25192002       1.58088004       8.93803996       1.41206548      -3.13025722      -1.80340100 
O       9.11356001       9.17186997       8.84740001      -0.20206056       0.89911014       1.81854405 
O       1.37516996       3.96359998       3.56073003      -1.46222824      -0.63099000      -2.64500496 
O       6.52789003       9.24633998       6.07996000       1.50837626       1.52111813      -2.64166388 
O       4.16976997       0.89503198       8.91651998      -0.26895080       1.48405820      -0.64240964 
O       6.53784997       3.21693004       9.22454001      -2.53442201       3.20900713       0.14262580 
O       4.25112002       3.58438998       6.70361999       0.01562969      -0.01702397      -2.52725152 
O       6.43872000       1.31147998       6.24937000       0.11155170      -0.05731360      -0.10115171 
O       9.20597998       6.63066999       6.21186000      -1.36041594      -1.60607649      -0.61196852 
O       3.77711997       1.09822003       6.33064998       0.60864617      -0.87292684      -0.34510441 
O       0.68407499       9.62113998       3.24736997       0.61094485      -1.41272323      -0.02099750 
O       1.00738005       9.29010995       8.24547001       0.97681769      -0.70865811       1.24897013 
O       3.74855002       6.22040000       8.82579996       0.07340474       0.60480895       1.97428713 
O       3.99373003       9.01660999       9.00568002      -2.27787410      -2.28857925      -0.93041991 
O       5.76283999       8.98447002       0.09477606       1.69264954       1.46273745       2.83647259 
O       3.70980000       9.58280000       4.01623003       0.63960276       0.31361080      -1.19990376 
O       9.75884005       7.41980002       4.01584998      -0.28620856       1.29454874      -1.77163144 
O       6.95577001       7.06913998       2.88328003       0.92255127      -1.85266707       0.70938618 
O       3.65398997       1.82262997       3.71465002       2.23252121       0.68319476       0.58758449 
O       8.52849000       9.50432004       0.98841303       0.53108084      -1.44690296      -0.12769343 
O       7.01801005       1.54536996       0.98589395      -4.33039298      -1.12260608      -0.15113272 
O       6.54492004       1.20208997       3.80088998      -1.69958642       1.93216014      -2.54708462 
96
Lattice="10.52432525 0.0 0.0 0.0 10.52432525 0.0 0.0 0.0 10.52432525" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.028803568521026817 0.007315164768880392 0.004146238463199526 0.007315164768880392 0.014631473650074124 -0.010764529176183072 0.004146238463199526 -0.010764529176183072 0.014761526958364166" pbc="T T T" energy=-931.38161211 free_energy=-931.38161211 config_type=crystal 
Hf      10.48499995       0.22235300      10.12740001      -1.19889476       3.54619505       0.77772877 
Hf       5.41536996      10.48389995      10.29679997      -1.62332970       2.35712093      -2.52389397 
Hf       0.28016501       7.81552001       7.50937002      -3.51794299       3.99027646      -1.41674853 
Hf       7.79952998       2.60729002       5.06667002       4.00000732      -1.55058432       0.32331183 
Hf      10.26349995       5.00152003      10.36129998       0.26515034      -3.92434934      -1.37436854 
Hf      10.44840003       7.55448001       2.42397996      -0.80057565       2.96277042       1.40668656 
Hf       2.89725002       5.46182002       2.31239001      -2.28448226      -4.98130387      -3.32562195 
Hf       7.90523998       5.41142997       2.46537002       1.22100211      -3.83905239      -3.18067484 
Hf       8.43933002       7.98513003      10.18470001      -2.41501764      -1.07616159      -2.18785792 
Hf       5.22890997       8.19246997       7.37548997       1.84052144      -1.39183168       1.79816929 
Hf       5.50896005       7.91001003       1.85214001      -1.94955097       0.83087267       2.41369336 
Hf       5.41957001       5.17542998      10.27550000       0.29742151      -0.37515363      -0.50673410 
Hf       2.52075997       7.38670995       4.76948002       1.95101807       2.17635311       1.49065443 
Hf       0.05103487       5.27028004       5.26674997      -2.20348592      -3.28023857       1.60567105 
Hf       5.48093998       5.24588002       4.64250004      -0.06914385       1.11619315       3.38276530 
Hf       2.77853995       5.39063001       7.95975999       0.85987838      -3.97646652      -0.78749101 
Hf       2.23996002       7.74860003      10.36349998       1.00519791       3.56284823      -1.73373738 
Hf       2.42063996       0.02597477       7.77015995       2.44854054       3.24697804      -2.70332859 
Hf       5.14581000       2.83315004       2.65564004       2.48788337      -2.42015261      -4.76054711 
Hf       0.18982304       2.69989998       7.45007997      -1.87327423      -0.90524312       2.26731318 
Hf      10.33490002      10.15699999       4.76443003       1.15322301       0.61582811       0.48906866 
Hf       7.88722002       5.07642996       7.63357000       0.48344433       2.41467285       1.86360229 
Hf       8.10519995       0.10412799       7.51013998      -0.01235833       1.48575490       1.60508835 
Hf       7.74686005       2.63736002      10.11160005       0.94400382      -0.44870876      -0.44987155 
Hf       7.78662000       8.05090001       5.12579000      -1.06214518       0.79889852       2.78246383 
Hf       2.79345997       2.66379997       5.33253005      -2.04071316       1.23023024       1.37988858 
Hf       5.32957998       2.47885000       7.32983997      -0.80809445       0.94863287       4.74879167 
Hf       4.85918000      10.33810005       4.55440996      -0.33288419      -0.83923692       0.57698182 
Hf       2.90105004       2.59542995      10.09830004      -4.72328214       0.60810930       5.39966122 
Hf       2.80943000      10.45599996       2.03822997      -2.74986974       1.71104415      -0.77546754 
Hf       0.11633105       2.45390998       2.77446998       2.63084932      -1.94360354      -1.04567845 
Hf       7.98194000      10.47620004       2.22136996       1.50483410       1.11299328       2.33867284 
O       1.33901001       4.01090002       9.15776003      -1.25720637       2.12352109      -1.51333890 
O       6.75928999       6.89093004       6.46299003      -0.83639895      -1.03362408      -2.41440244 
O       1.60586995       4.02866003       6.61095005      -1.33978706       0.52203853      -1.59765447 
O       7.16410995       3.97153999       3.84337002      -1.61710712       1.04957949       0.09551288 
O       1.06242000       9.24479999       6.14858002       1.19046637      -0.56154105       0.45369665 
O       6.82055998       3.93515003       6.43603997      -2.64673525      -2.20737172      -1.92002028 
O       4.20972999       9.04115998       0.83385797      -2.16377809       1.49100083      -1.35420514 
O       1.23250005       9.64603000       0.54318295       3.58666229      -3.91469288       1.11739747 
O       9.11524997       3.85930996       9.01529003       0.04166707       0.68675435      -1.33407393 
O       1.31871995       4.23134001       1.26403998      -2.53476121       2.66923373       0.05269412 
O       3.97424001       8.96311001       6.05802999      -0.61861156       0.93490822      -2.51122169 
O       1.63972997       5.64002000       3.96528002       1.36881554       1.47518040       0.05268231 
O       8.83940004       3.73349996       1.03983996       0.17683584       1.65265500       0.88782416 
O       9.18705997       1.44512004       6.31815995      -2.10850371      -1.31606266       0.23938245 
O       8.31954005       6.00264005       9.36533004       1.98765619       2.58894604       1.19697355 
O       1.17811002       1.61698996       9.13914997       1.61195101      -2.76132659      -1.85526309 
O       1.87461997       7.13474003       1.66037996      -1.16460594      -0.46497927       0.61598455 
O       4.09544003       6.39636000       5.91832000      -0.91127601      -0.34118073       0.35577029 
O       9.06050001       9.24793003       6.41025001       1.14008985      -1.86259777      -2.42891985 
O       8.93690002       9.03297995       3.40473004       0.49860010      -1.82967879       1.93993185 
O       1.26052001       6.57540003       6.37009002       2.19223849      -0.41236364      -0.53943935 
O       9.29921002       3.81805997       6.34048004       0.46972486       2.31324024       1.06189434 
O       1.05192999       0.63188396       3.70529003       0.76625456      -0.68501328      -2.35077515 
O       1.08919999       1.42694001       6.22404996       2.47771928      -0.12423242       1.05207098 
O       9.11419996       0.97572598       3.83696997      -1.37837992       1.70544461      -1.31930889 
O       9.58206999       6.42609996       1.03571000      -0.74993706       0.60820954       1.71112960 
O       6.31264005       9.22648998       3.66641002       1.13197395      -0.81719688       1.25511366 
O       4.43394001       3.54253997       4.26748002       0.02901193       1.99924156       2.34021662 
O       6.05444004       6.29617000       8.80748997      -2.22183006       0.47989558      -0.70704251 
O       6.91489003       8.84397001       9.14522998       0.00770521       0.69869246       0.52014965 
O       9.57940997       3.65877999       4.04411995       1.02917539       0.22467567      -1.19459110 
O       4.33630995       6.71870998       0.56548199      -1.73827934      -1.33370898       1.72367626 
O       3.57497005       3.60365000       1.77069004       0.31491856       1.70993018      -0.90956321 
O       9.13637997       1.02774004       0.90597896      -1.53705890       1.12946345       0.65840117 
O       6.25526995       1.07717995       6.46885997       3.52510342       0.38908500      -3.15689845 
O       7.02340004       6.91869005       1.16115996       1.68553894      -0.54720882      -1.13593981 
O       0.42168203       6.94540005       9.32150001       1.21721565      -1.10348180       1.73928203 
O       3.58013002       4.38281999       9.60627005       2.37316935       3.17843487      -0.92466943 
O       6.04634999       4.44113002       1.77305002       1.41003724       2.43194886      -0.82767245 
O       4.26573003       6.31408998       3.40960996      -0.28070488       1.09802971       0.26848476 
O       1.51427002       1.61250996       1.11767997      -2.30635836      -0.24282736       1.28701783 
O       3.66243004       1.07651997       0.74945899       3.53538406      -2.08996058      -1.90616070 
O       9.37400998       1.55638005       8.84556003      -2.09095264      -1.60209413      -0.32420017 
O       9.64714000       9.46000003       8.83834003      -1.48828733      -1.96422555       0.07825410 
O       1.82591002       2.77923003       3.70494999      -1.23982815       2.47468625      -0.25463593 
O       6.77797003       9.33315002       6.53922003      -2.01015765      -1.25377994      -1.55551862 
O       3.64609997       1.65410999       8.70773999       2.49673079      -1.48519052      -3.61904744 
O       6.19295005       3.82084997       9.00857004       2.56671619      -0.49992534      -2.36437656 
O       3.97876000       3.79295998       6.81213000      -0.30293101       1.54565677       0.01640025 
O       6.70039997       1.41400003       3.02861002      -0.73986977       0.07708853       0.97102929 
O       9.13433004       6.55212001       6.52743005       2.05513549      -0.67940601      -0.21592796 
O       3.93664996       1.29356997       6.09725005       0.04167034      -2.11665700      -0.64007793 
O       0.97342905       8.61940996       3.76944001       1.19129377      -1.98398076      -0.10708038 
O       1.63050003       9.00916003       8.37170997      -0.06601032      -1.06760634       3.97502616 
O       3.19151005       7.19681997       8.74705003       0.36050240      -2.19574245      -1.29568406 
O       4.23832995       9.70253005       8.42881001       0.86796715       0.40527304       1.55495459 
O       6.54585004       9.56196001       1.13170995       0.36223423       0.52123839      -0.17555297 
O       3.86434995       8.97740004       3.28996996      -1.34484555       0.62346950       1.40706093 
O       9.66243995       6.30266004       3.89921999      -1.99069933       1.92493525      -2.73332514 
O       6.73392005       6.37608005       3.55061003      -0.56311069       3.51250462       2.89900161 
O       3.90440995       1.23951998       3.16024996       0.86971800      -2.53803478       2.78783701 
O       9.22813999       9.16142997       1.05852001       0.92449212      -2.04053824      -0.30531328 
O       6.65987995       1.24012997       9.08552001       1.04136919      -3.57911733      -2.96501010 
O       5.83280996       2.40246003       0.19240298      -0.72566302      -1.35329951       4.26386872 
96
Lattice="10.52660914 0.0 0.0 0.0 10.52660914 0.0 0.0 0.0 10.52660914" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.008218137244709944 0.0001683053456774046 0.005768773417368293 0.0001683053456774046 0.01642300442310886 -0.003367783707457779 0.005768773417368293 -0.003367783707457779 0.01047994579499983" pbc="T T T" energy=-931.69250866 free_energy=-931.69250866 config_type=crystal 
Hf       0.06226468      10.17680002       9.95169996       0.26759505       1.49381876       2.24971236 
Hf       5.36395001       0.30146198      10.04490003      -0.77795310      -3.29366100       2.33579699 
Hf      10.36280005       7.66296997       7.46848002       1.50418659      -0.44977770      -1.42603108 
Hf       7.49847002       2.54458996       5.38336002       0.44686404      -1.17531802       1.03801926 
Hf      10.47240005       5.27272999      10.03949999       2.84305358       0.64712028      -0.33389761 
Hf       0.02519849       7.73490997       2.02143002       0.14871862      -1.67563734       1.02267233 
Hf       2.53438000       4.83462999       1.96262996       0.56181949       2.55495607       1.21403495 
Hf       8.03109002       4.83391997       2.62123999      -2.09723367       2.89747467      -0.15073900 
Hf       7.85844005       7.67314004      10.25839998      -0.65069555       1.07522895       1.23242826 
Hf       5.62473001       7.82150997       7.57323999       0.11146890       0.52601159      -0.83195148 
Hf       5.32412005       8.18352005       2.13099002      -0.88089848      -2.30477816       1.49100374 
Hf       5.40398996       5.29257002      10.50291016      -0.13692067       2.47440546       4.28297122 
Hf       2.51361005       7.78515001       4.76670999       3.42858233       2.39483514      -0.03525660 
Hf       0.19448005       4.94033999       4.71173004      -2.59798359       3.45137564      -1.04340588 
Hf       5.11028999       5.37565002       4.83395997       3.57366632       2.12583344      -0.25665235 
Hf       2.81079001       5.67117004       7.51334001      -1.74360505       3.20891186       2.00873120 
Hf       2.74018005       8.07098997       9.91389996       3.45523380      -0.24518266      -0.02895556 
Hf       2.32526996      10.52509468       7.32288997       1.93226851      -1.47969316      -1.47934976 
Hf       5.50735000       2.50689997       2.48291003      -1.57832438       0.17470984      -3.07376362 
Hf      10.44830001       2.81080001       7.56571000      -1.22318206      -1.14522724      -0.63569369 
Hf       0.08879795      10.43569998       4.92901999      -1.59771896       1.41101787      -0.26317280 
Hf       7.86813000       4.99433002       8.00594005      -2.48820033       0.09788472      -3.29153856 
Hf       8.00085002       0.22395298       8.29559002       3.51000367      -1.24660561     -11.33540731 
Hf       7.91244997       2.62457998      10.44930004      -0.13493802      -1.75519294      -0.81985816 
Hf       8.05238998       7.94325999       4.84972999      -0.45338510      -1.07037156       0.06386171 
Hf       2.73200003       3.05143998       5.30593997      -0.28009327      -2.47429980      -2.15262707 
Hf       4.83652004       3.14786004       7.98140000       2.38216238      -0.92806709      -3.72835141 
Hf       5.03845999       0.06315387       5.24610999       1.91503554      -2.21411528      -0.06086207 
Hf       2.71269002       2.37957000      10.24349999      -4.21097291      -0.80128303       1.83730452 
Hf       2.43190998      10.43760003       2.23316002       1.96754693      -0.65543223       2.13101658 
Hf       0.05978314       2.60540997       2.42815998       0.70184251      -4.05383968      -0.77759118 
Hf       8.29267004      10.35830003       2.54466997      -1.14287759      -1.39923303      -3.73364884 
O       1.09802997       3.71946997       9.06585001      -3.21660434      -1.45236807      -1.48431577 
O       7.37404002       6.65850998       7.11768004      -1.13602773       2.58360153      -2.03145524 
O       1.28146003       4.10719004       6.23757004      -0.43156268      -0.52437945       0.46182914 
O       6.56572002       3.65575998       3.84646003       2.95131681       1.77641485      -1.70682490 
O       1.80052997       9.66021005       5.43052997       0.88280367      -0.33147208       1.24323551 
O       6.25109999       3.95774998       6.63079005       0.65642654       0.41140882      -0.46184417 
O       3.82905997       9.81216997       9.00238003       0.38555735      -0.51079663       2.08596030 
O       1.19478003       8.62567996       0.25853005      -4.26782762       2.04882818       1.99032067 
O       9.01294001       3.73088997       9.07249999       1.12361733       1.26231788       0.70659368 
O       1.45720998       3.34028003       0.98012205      -0.99328020       1.95184249       1.03407849 
O       4.29193003       9.96952004       3.47438998       0.67070448      -0.32500442       1.07897032 
O       1.87452003       6.34000005       3.70311004      -1.30928178      -4.68689530      -0.62065960 
O       9.01096996       3.40662999       1.22145004       4.08928187       2.48691628       3.51477271 
O       9.28415999       1.45143003       6.04704999      -2.69948852       0.40071064       0.77379436 
O       9.29616001       6.47787000       8.74362998      -0.62678720      -1.85524199       0.28861537 
O       1.72580999       0.79312400       9.11190003      -0.92632831       1.56402412       0.57295276 
O       1.46446997       6.08043997       0.75746300      -2.18674693      -0.35189766       0.59524409 
O       4.65116004       6.47196004       6.41957995      -0.17134043       1.58095781       2.31635441 
O       9.72757003       9.00238003       6.12736002      -1.44943531       0.10509186      -0.17883009 
O       9.63458997       9.04572998       3.46028001      -0.48316911      -1.82472444       1.79618683 
O       1.64800003       7.10386997       6.36522001      -0.04705133      -1.88911877       1.53340873 
O       8.86549001       4.05003002       6.38894004       0.80601039      -1.33077056       2.03649307 
O       1.92676001       1.31580004       3.64913001      -0.06570228      -0.37406243       0.58865772 
O       1.01809995       1.32211000       6.10065001       1.80192425       1.93542207       3.19620172 
O       9.64666999       0.89457398       3.39324003       3.93526381       3.55537391      -0.31704038 
O       9.17494000       6.49396002       0.67690097       1.85605440      -2.57330800      -0.16534108 
O       7.18455001       8.46074999       3.15349999      -0.44781146       1.80132489       0.11558729 
O       4.10311003       4.04962001       3.84416997      -2.50458759      -0.78726858       0.84198570 
O       6.26269000       6.65418996       9.30423002       0.94401506       0.18151422      -0.68399703 
O       6.93306005       9.39582005       8.81203999      -5.41458981      -5.47259032       1.18488602 
O       9.22464002       3.71425003       3.86593005       1.37814560      -1.59988819      -0.02214860 
O       3.98733996       6.32954997       1.05942005       0.61269484      -0.81424021      -0.02762555 
O       4.04471998       3.70959001       1.51398998       1.52263778      -0.58711262      -2.55829251 
O       9.06826997       0.94536698       0.87169398       0.04958661      -0.17441200      -0.93605215 
O       6.24897004       1.43482999       7.25965999       0.43751320      -0.01298441      -2.40859136 
O       6.76968002       6.35787002       1.29142999      -0.99133547       0.36085332      -0.50946824 
O       1.36452003       6.30887002       8.77991004      -2.43247980       0.56352658       0.67941947 
O       3.26280998       4.00462002       8.93881005       2.65868842       1.49077298      -0.20292366 
O       6.74529997       4.01061998       0.97144002      -0.75796114      -2.30444964       3.51776552 
O       4.50001004       7.36181000       4.24435996      -0.54503934      -1.21612933      -2.00224773 
O       1.23982002       0.96951902       1.18915998      -3.08070198      -0.79789410      -1.93973575 
O       3.63138004       1.24549997       1.31251005       2.16101940      -0.25654010      -1.24521363 
O       9.40037997       1.41347002       8.90053004       3.64851643       0.18933695       0.18854171 
O       9.21032004       9.05208005       8.94326996       1.79181832       0.25112502      -0.02934654 
O       1.50331000       3.74250998       3.41013998      -1.68599975       0.55370789       1.88997106 
O       6.57896997       9.18692002       6.09591998       0.01452416      -1.02458137      -1.31391747 
O       4.53016003       2.12227998       9.64491004       2.73728930      -2.00682771      -0.42601191 
O       6.47343998       4.05380002       9.34751997      -0.40921357      -1.72515500      -4.42937405 
O       3.75328996       4.44955000       6.41419001       1.17325849      -4.84021874      -2.15171855 
O       7.41616004       0.58897399       4.03049000      -1.52564077       1.04113626       3.03806464 
O       9.70214995       6.35428003       5.65244005       0.16046326       1.71434233       1.01845266 
O       3.48177998       1.74200002       6.78053001       1.23259513       0.92365759      -0.69346027 
O       1.56096003       8.58704004       3.25928999      -1.21609390       2.55977275      -3.36714044 
O       1.28053000       8.98461996       8.15162001      -0.68185607       0.19062306       1.35016579 
O       3.83138003       6.85240001       8.75887998       1.21737074       0.07821025      -0.47619113 
O       3.95682995       9.26587001       6.67994005       0.95932845       1.08276077      -1.65084676 
O       6.28976002       8.72261002       0.54464602      -0.31233723       1.58983799      -0.15804531 
O       3.54219998       8.69323005       1.23867999       0.17650778       1.90188555      -0.88613347 
O       9.64210996       6.02686995       3.16014996       0.67618749       0.88485654      -1.28866698 
O       6.87830000       6.17544999       3.95036998       0.88602808      -0.83474535       1.67210761 
O       5.49478997       1.79795000       4.19335002      -3.08342523      -2.33889112       4.21549986 
O       9.24344001       8.78644001       1.02572995      -0.71474254       2.16177161      -0.78549641 
O       7.01136002       1.10555997       9.41665000      -3.34872550       5.21937791       5.26112516 
O       6.45234002       0.77469696       1.29765995      -1.18904006       2.25479491       0.92291531 
96
Lattice="10.52889579 0.0 0.0 0.0 10.52889579 0.0 0.0 0.0 10.52889579" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0031249288155884196 -0.0029004088311310352 0.005482533040342316 -0.0029004088311310352 0.01843005165389067 0.0036860472767672532 0.005482533040342316 0.0036860472767672532 0.013053953901509834" pbc="T T T" energy=-934.02250616 free_energy=-934.02250616 config_type=crystal 
Hf      10.49487430      10.45983845      10.36379997      -0.85484207       2.26677713       1.09189596 
Hf       5.29413001       0.06524820      10.09340002       0.86577268      -4.22440549       0.90224038 
Hf       0.51954004       8.05395996       7.77450001      -2.47698752       1.09735466      -0.98547940 
Hf       8.12747998       2.50360001       4.94210996      -2.99045089       1.02282832      -1.12674318 
Hf      10.51060004       5.17337000      10.37289999      -1.53445233      -1.44561364       0.84445157 
Hf      10.19249999       7.96328996       2.22039998       2.19267681      -0.01080333       2.37132944 
Hf       2.74046005       5.41738000       2.42903995      -1.44409871      -1.10762873      -0.21580475 
Hf       7.56890995       5.40547003       2.67361999       2.95075720       0.32162224      -0.69062307 
Hf       8.03558999       7.97050004      10.43549996      -0.65884383       0.47227134      -3.06843755 
Hf       5.47131996       7.93335999       7.42510998      -1.97761632      -0.17295337      -0.56094404 
Hf       4.97289003       7.78754005       2.23956004       2.49477137       1.40843220       1.39908815 
Hf       5.23873001       5.38588997      10.00169997       0.91414188       0.10485386       2.28214835 
Hf       2.48653004       7.89805997       4.89703997       2.67860158      -0.02869254       0.50804420 
Hf      10.46530000       5.18222996       4.79351997      -3.91882829       1.50720179      -0.91198550 
Hf       5.04517996       5.35799998       5.17530005       3.03684912       0.97030548       0.88141414 
Hf       2.62559001       5.03020997       7.44612997       1.94430019       2.72081725       0.00436685 
Hf       2.56817004       7.57482003      10.09789997       1.92393034       1.20874187      -1.57751012 
Hf       3.09841997       0.15284503       7.53743002      -1.56353481      -4.48199670       0.42239461 
Hf       5.20391001       2.87239996       2.73634999       1.73173398       0.79598640      -0.48629031 
Hf       0.41227997       2.31308996       7.54558002      -7.98133574      -3.07707148       2.59214261 
Hf      10.52165075       0.15872500       4.79884001      -0.78297175      -0.08924200       1.90253959 
Hf       8.44905004       5.01957000       7.79187995      -1.55676366       1.12215690      -0.49661356 
Hf       7.97101996      10.27779995       7.53130000       2.13163445       2.93524575       2.91239527 
Hf       7.55976002       2.63462001       0.08763337       2.69705389      -0.19109094       0.16448514 
Hf       7.99280003       7.96959003       4.81989001       0.71341515      -3.05993633       4.89406270 
Hf       2.57195002       2.57329003       5.04939004       3.49226988      -2.15718218      -6.62059637 
Hf       5.44833001       2.64372003       7.59146000      -0.90345313      -0.27073465      -0.95260156 
Hf       5.38036998       0.04860349       4.83664001      -1.06564046      -2.41147619       0.72802116 
Hf       2.42668000       2.70920997      10.10240002      -0.54749674      -1.54201143       4.20354420 
Hf       2.86723996       0.03606705       2.22423998      -2.32968963      -0.74233810       0.32711666 
Hf       0.05550423       2.78080004       2.28690996      -0.33583270      -1.35766392      -0.79096514 
Hf       7.42365004      10.40079998       2.30361995       0.10495537      -0.96934086      -1.47751457 
O       0.72494796       3.80682998       9.06598995       2.99912005      -0.62850073      -0.36628076 
O       6.60426999       6.54389004       6.37695998      -2.26285526      -1.33860065       0.93012264 
O       1.65402004       3.17511003       6.49632997       1.68441512       6.83445530       1.27248409 
O       6.15830998       3.81954005       4.42627998       1.00297428      -0.46122257      -1.91188209 
O       2.34612995       8.31418004       7.19100998      -3.67096680       2.15506703      -1.24832030 
O       6.84205995       3.61525999       6.81491003       2.93105104       1.47584138      -0.12484991 
O       4.03304005       9.16608995       8.69600003      -0.27557299       1.40679972       0.76108403 
O       1.00932996       9.57771998       1.79946999       0.50177644       0.38434499      -1.29678515 
O       8.80781995       3.57787999       9.17427996      -0.26821990       1.08750909       0.19078781 
O       1.60737998       3.92202000       1.30340002       0.64998918       0.47845738      -1.62138649 
O       3.70400005       9.20620999       3.57857995      -1.37654866       0.70769092      -2.41474517 
O       1.52134995       7.15124002       2.98412997       1.83226632      -1.85393291       0.40670516 
O       9.22958004       4.57820995       1.37306003       3.22315013      -0.53162081      -1.90392744 
O       9.25839004       1.65639999       6.19433997       0.72981119       0.17771696       1.81910888 
O       9.50197994       6.35129000       9.11039999      -0.44417908      -0.03018549      -0.06534882 
O       1.68933996       1.26887998       8.69957996       3.57042386       0.28273910       0.38120810 
O       1.33816001       6.33079003       0.73782796      -0.28888830       1.40165841      -1.25803429 
O       3.77236996       6.44149000       6.41434998      -1.27042260      -0.56643274      -0.85757548 
O       9.82618002       9.89597996       6.52761995      -0.78453620      -2.77773194      -0.14737313 
O       8.99193001       8.85947998       3.47621002      -0.14825455       5.46134842       0.60607745 
O       1.30510001       6.28219002       5.37767996       2.24954928       0.66035614       2.83671045 
O       9.82358001       4.34920004       6.52083997      -0.34696748      -1.04883499       0.81404831 
O       1.80036000       1.66349004       3.18513996      -0.48663219      -0.88095776       1.46343536 
O       1.42635004       0.86806903       5.94237001       0.47873200       0.90869541       0.81501578 
O       9.60582002       1.66221004       3.80302000       1.26608562      -0.35774182      -0.61522925 
O       8.58104996       6.97469003       1.47716997       0.94622355      -0.59214039      -0.98563266 
O       6.01706000       9.17183999       3.27839997       2.35382250       2.97035276       2.35845528 
O       3.75958999       4.05090000       3.70716998      -0.99794393       0.47097970       0.50220865 
O       6.84892005       6.52293996       9.50094000      -0.60068888      -0.58500618      -0.21070471 
O       6.48220998       9.20983004       8.61714997       0.71417829       0.18709411       2.39437613 
O       8.73852002       3.95423000       3.69736000       1.64085599       0.75474159       2.09010677 
O       3.81517003       6.78657003       1.00439001      -2.18016991      -2.09794161      -1.47272881 
O       4.53619997       3.88255001       1.30977000      -2.30786244       2.29007718      -2.80773963 
O       9.00862000       1.61362003       1.42947996      -1.54294685       0.76354851      -1.91461780 
O       6.25147997       1.09464002       6.40043005       0.95950997      -0.25573784       1.03431235 
O       7.02616001       3.73592998       1.77920998      -1.71401434      -3.25850545      -1.20714398 
O       1.46700000       6.52403002       8.56919000       1.15113698      -2.31386171       0.77177029 
O       3.74428002       4.08169997       9.12494998      -1.92813457      -0.36116941      -1.37347719 
O       5.99518001       1.04350002       1.33204998       1.52761379       0.50616882      -0.79257820 
O       4.27094002       6.65111000       3.98434001      -2.81368809       1.38107748      -3.65718770 
O       0.93671501       1.59698996       0.67949303      -0.27052743       0.71075923      -0.76368796 
O       3.54039996       1.44009004       1.00556998       0.02901006       0.52870300      -2.06898957 
O       9.88909996       0.95088500       8.57892997      -0.09710171      -0.35021030       1.51086039 
O       9.33472001       9.27393996       9.33124000      -2.68028102      -3.21697464      -1.91875116 
O       1.25465997       4.11060000       3.76141001      -0.87713445      -0.11385935       0.22492495 
O       7.00921996       9.01465000       6.43273996      -0.07249398       0.07985152      -4.16103240 
O       4.46845000       1.08335999       8.73604994      -0.34295431       2.80018202      -0.14656882 
O       6.30809995       3.73452995       9.34744997      -1.63330500      -0.30945162       0.28052796 
O       4.03590001       4.08758004       6.30901996      -0.22917225      -2.94378226       1.78767190 
O       7.06818999       0.94485995       3.93242002       0.31012525       1.10769231       1.14573215 
O       9.09393996       6.93132003       6.27404002       1.21030446      -0.03200712       1.11384599 
O       3.71959998       1.53731997       6.40906995       2.10320376       1.27780711      -0.39595983 
O       1.13384005       9.18904000       4.49658995      -0.22337576      -0.21816564      -0.19178538 
O       1.17820997       8.96314001       9.58706995       0.89048488      -0.28653988      -0.17824759 
O       4.23455995       6.65766002       8.58963996      -0.31942708      -1.90754695       4.15109266 
O       4.11167995       9.09423003       5.86515004       2.61267116       1.78164024       1.54021803 
O       5.93661997       5.99465998       1.71431997      -0.51396771       1.15548518      -1.58885809 
O       3.95977999       9.32994000       0.75532498      -0.11053098      -0.18413275       0.93732827 
O       9.46563999       6.72570996       3.76251997       0.85510686      -3.05812807       0.03249258 
O       6.79511002       6.84485000       3.90370004      -1.08852047      -1.75313167      -0.94557876 
O       4.39552003       1.48395005       3.98709995      -1.36608512      -0.69988996      -0.71227685 
O       8.84309997       9.58576995       1.26949002       4.26941433      -0.75217610      -3.03878456 
O       7.39548998       0.87499999       9.22006002      -2.40894968       2.07383525       1.74459383 
O       6.70519999       8.75513999       1.02060998      -3.69971171       0.88903175      -0.02280818 
96
Lattice="10.53117469 0.0 0.0 0.0 10.53117469 0.0 0.0 0.0 10.53117469" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006471325661226376 0.005509259837777805 0.008592416804288449 0.005509259837777805 0.004620965943382215 -0.0031498898089525784 0.008592416804288449 -0.0031498898089525784 -0.021995287412447558" pbc="T T T" energy=-929.01753032 free_energy=-929.01753032 config_type=crystal 
Hf      10.36649998      10.26719995      10.07660001       2.55150873       1.97211421       3.23745494 
Hf       5.67542001      10.40959997      10.29720000      -3.25181336       4.64649527       0.04937066 
Hf      10.23880000       8.03375000       7.83920003       1.57410184      -0.70028398      -1.42484335 
Hf       7.82533995       2.74068998       5.15799002       1.38562420       1.48064870      -1.51811143 
Hf      10.26339999       4.86649005      10.39289995       2.12905465       2.07250181      -1.10360633 
Hf       0.22063295       7.81687004       2.50047999       0.87571228      -0.56531430      -1.94013839 
Hf       2.79675996       5.23464001       2.48709003      -1.21149925      -0.79952475      -1.21770622 
Hf       8.25277000       4.94035002       2.43874003      -0.93252729       1.30034451      -0.10500324 
Hf       7.68179003       7.44045995      10.40810001       4.85020122       2.61189489      -1.65341756 
Hf       5.06475005       8.14683997       7.71960000       1.25941931      -2.33564894      -2.60827382 
Hf       5.20254005       8.13227999       2.36680000       1.59259749      -0.72810387       0.83923286 
Hf       5.31432004       5.18223004      10.29829998      -1.92094813       1.10888407      -0.26729311 
Hf       2.82452003       8.13373002       4.59899000       2.61159345      -2.08184616       2.99748823 
Hf      10.51718455       5.32492999       5.47111996       1.12688233       1.30344481      -0.23654922 
Hf       5.56032997       5.57811996       5.14473000      -1.39863624      -0.66204431      -0.16751617 
Hf       2.74538004       5.33718996       7.18400995      -0.05656332       2.44916152       0.32632521 
Hf       2.86316996       7.95661999      10.35250004      -2.99643750      -1.91253213      -0.53533100 
Hf       2.59113003      10.34849999       7.12924004      -3.01877017       1.25905558       0.93355713 
Hf       5.14779995       2.82589003       2.18412003      -0.44762700      -2.17546118      -1.28094343 
Hf       0.22616698       2.59665005       7.55891998       4.46490706      -0.82169848       1.39451122 
Hf       0.51855399      10.19440004       4.68725999      -3.56020593       3.93726536      -0.79398245 
Hf       7.55925002       5.39746998       7.65138000       2.91787521      -1.29208712      -0.90700464 
Hf       8.25356995       0.50927497       7.44942998      -0.83717378      -2.09100144      -0.58473722 
Hf       7.65175997       2.46957005       0.01826716       2.31171267      -2.14982195      -0.36536291 
Hf       7.99587000       7.81913003       4.82892998      -0.02781469       2.94614146       2.35366350 
Hf       3.16383995       2.90381998       4.81482000      -0.59982997      -0.25624339      -1.42926716 
Hf       4.90954002       2.67077004       7.90676004      -1.92008263      -0.35271509       0.63827996 
Hf       5.80166995       0.11014598       4.96673999      -0.55792593       0.05960198       0.22201121 
Hf       2.51776997       2.74142000      10.40100000      -0.74440897      -2.57421413      -3.39172590 
Hf       2.82119997      10.47680002       2.26858005      -1.65539229       1.54145556      -4.66817826 
Hf       0.27099398       2.80847999       2.93186998       1.32754109      -0.15241692      -1.75222918 
Hf       8.19569998      10.29669998       2.46616995      -0.87119541       1.48677485      -0.72572188 
O       0.97812403       3.70962998       9.33883004      -3.08616331      -0.27693489      -1.59220740 
O       6.43613004       6.81061999       6.55823996      -0.50629129      -1.16955129       0.22293415 
O       9.37599002       4.48746001       6.87055996       0.84626333      -0.43309020       0.09943390 
O       6.84020995       3.97528002       3.37632999      -0.79513934      -1.07991703       1.52113363 
O       1.61734000       9.12709003       5.76203998       3.39307368      -0.51284919       3.59811725 
O       4.45351004       4.07099997       5.92483003      -2.14263316       0.57585181       1.13185439 
O       3.42305997       8.66463003       8.52614002       1.95886485       1.05016016       0.56207484 
O       1.55141000       8.88514998       0.92186502      -0.43016133      -0.57175694       0.63332574 
O       8.62557000       4.42646998       9.39240002      -1.77795903      -2.63490676       0.24693024 
O       9.36146996       3.62666001       1.46076997      -0.36320159      -2.12510748      -0.26139039 
O       4.02862000       9.42623005       3.56962001       0.84331400       0.59500658      -0.90260682 
O       0.96063301       6.90680005       4.33545999      -1.51336749      -0.72936621       0.54801083 
O       6.45836999       3.77129001       0.82132905       0.52625967       1.81423385       0.54747547 
O       9.33022996       1.94893004       6.34792998      -2.41175649      -1.09856497      -0.70096745 
O       9.51905003       6.72898000       9.27806000      -1.70183387       1.12595395      -1.15265240 
O       1.74663997       1.41356999       8.44231998       0.15852066      -0.03179924      -0.99206758 
O       1.55185000       6.59953997       1.84052003      -0.00884225      -1.66612137       0.68385770 
O       3.45629004       6.73891996       5.79595005       2.27700804      -3.06556547       1.34503231 
O       9.09213000       9.37647003       4.03898004       0.06171302      -1.76002211      -3.33419464 
O       8.61241004       6.48294996       3.54428001       1.83403578       1.93737364       1.16379156 
O       1.12386000       6.59754999       7.38042004      -0.57695822      -1.66105302      -1.85488841 
O       6.80815000       4.25108001       6.09318002       0.94930738       1.95437935       0.31847191 
O       2.01894003       1.25338998       3.34891998      -1.88034444       2.40306890       4.14844456 
O       1.17087001       1.12556005       5.86362000       0.80861575       0.03534635       1.51196318 
O       9.49218995       8.99298005       1.29895995      -0.60596698      -0.40017188       0.37441404 
O       9.18776002       6.09050995       1.03351000      -0.24438483       1.88956040       0.92846178 
O       6.31006999       9.43241995       3.53746002       3.63819300       0.54352304      -1.38092713 
O       4.39404997       4.27647004       3.32926996      -1.56296692       0.72653152       2.65139674 
O       6.60970002       6.52606996       8.92683995      -0.04081597       1.64379707       4.12655351 
O       6.18997005       9.34920998       8.80188999      -0.21037582      -1.90808668      -1.10597052 
O       9.97744995       1.16352999       3.55814998      -1.12811547       0.20185255      -1.21338496 
O       4.70517004       6.81418995       0.76712499      -3.12906513       1.69476676      -0.90189834 
O       1.27203005       3.48116004       1.22828997      -1.35467525       2.52231170       2.04053574 
O       8.82901998       0.72050601       0.73291900      -0.54044994       2.03247367      -0.42419933 
O       6.69977000       1.85308003       6.49940998      -1.56883751      -2.08836115       2.05640230 
O       3.94865995       4.04369000       0.92054399      -0.25637118       3.59702862      -1.95625784 
O       1.45236999       6.65397003      10.03889998       1.40896800      -0.55365361      -0.74134743 
O       3.01996999       3.90597004       8.39863003       3.91983798      -2.87668312       1.37192801 
O       6.25196002       1.13352004       1.35599995       1.50449924       2.59845276      -0.08854053 
O       3.76381003       6.90706996       3.27140000       0.81057407      -1.28752885      -1.93832057 
O       1.40037000       0.59337304       0.71764195      -2.31195112       1.33714793      -1.78423419 
O       3.14451998       2.02515995       1.55209000       4.76486483      -1.65939831       2.59097229 
O       9.66472998       1.31104005       8.75709995      -0.79684445      -0.09003481       0.47849656 
O       9.91987001       9.38408997       6.08574996      -1.96847129       0.53355455       4.44476895 
O       1.55345000       4.14380999       3.87847999       0.90171425       0.76032349      -3.36966736 
O       7.11732002       9.58017002       6.37069996      -0.43415285       1.17659185      -1.12925896 
O       4.24776995       1.74338995       9.70626999       1.07225538       0.15027035      -2.62544194 
O       5.96532998       4.08241998       8.85282001       1.20521471      -1.21383999      -2.70933609 
O       1.64257996       3.81837005       5.95783000      -1.65281283       1.33563749       3.98543029 
O       7.45439996       1.08406996       4.19524003       0.46807226      -0.55115273      -0.89688136 
O       8.96747997       7.01704997       6.34467996       1.06806053      -2.00164283       0.96840576 
O       3.71206005       1.82962995       6.25434996       1.50337932      -3.67033715       3.13355760 
O       1.74758999       9.02842998       3.32227000      -5.41547656       2.06274027      -2.59874607 
O       1.42258004       9.29140995       8.42143003      -5.38179521       0.45496771       0.81716839 
O       4.24299996       6.16074004       8.31680997       0.37511256       1.06722305       1.08585137 
O       4.17572998       9.26113998       6.03255005       1.37088788       1.48312929       1.63811044 
O       6.89355004       6.89354003       1.44006000      -0.97569439      -2.41827692       2.62950472 
O       3.96401998       9.91464002       0.68379897       1.03719854      -2.40891750       0.01606667 
O       9.38319998       4.19346995       4.14259996       0.89177083      -1.78602658      -0.54397540 
O       6.19149001       7.25732998       4.32538998      -1.63300448      -0.62573308      -3.35022635 
O       5.06406005       1.62961998       3.72734005      -1.95923292      -0.20146164       2.00994223 
O       8.83735003       9.33952004       8.93972000       0.89731922      -0.13705612      -0.65832388 
O       6.65171004       1.38568996       9.23149999       2.05619159       0.79590383      -1.95001559 
O       6.61514001       9.32054002       0.93107295       2.84514288      -3.92901981       2.21215785 
96
Lattice="10.53345302 0.0 0.0 0.0 10.53345302 0.0 0.0 0.0 10.53345302" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.022611475569972315 -0.0017504418324364554 0.014099115688456813 -0.0017504418324364554 0.02062625724341115 -0.009392339642608272 0.014099115688456813 -0.009392339642608272 -0.005593576740325383" pbc="T T T" energy=-930.76263474 free_energy=-930.76263474 config_type=crystal 
Hf       0.29285801       0.10196604      10.32600003      -1.19551214      -0.67423000      -1.56097431 
Hf       5.43909004       0.27828203      10.43020001       2.05764952      -4.57206946      -2.61762290 
Hf       0.47837898       8.17761002       7.67375999      -2.36877520      -4.24860831       8.51375733 
Hf       7.99126997       2.84613005       5.18928003      -1.78491930       0.66322417      -0.52315494 
Hf      10.45555940       4.98751996       9.91064997       0.37760959      -0.53210162       2.50159152 
Hf       0.25863198       7.86953001       2.18299999       0.42816621      -3.96895577       1.83318144 
Hf       2.42458000       5.09230001       2.12290001      -0.89480916       3.84143901       1.99937404 
Hf       8.10209000       5.16631005       2.26509004       4.04156283       0.24116634       2.54475320 
Hf       8.06162996       7.55053997      10.27109999       0.45215859       0.93368944       0.99221104 
Hf       5.35380004       8.08085003       7.92532002      -0.55467954      -1.47427809      -1.08156468 
Hf       5.30054005       7.93762004       2.26625999       0.27802859      -4.13865390       0.78487287 
Hf       5.32318002       5.19257995      10.25739997      -0.81892158      -0.25881199      -0.07974510 
Hf       2.59341998       8.11736004       5.13519002      -2.54787622      -7.79734461       1.35165212 
Hf      10.24720001       5.46376002       5.22643005       2.18819126      -0.71659349      -0.72740662 
Hf       5.16706003       5.24512998       5.29749999       0.63140119       0.12668475      -1.38517204 
Hf       2.68615998       5.18267998       7.58078004      -0.04898151       0.89787783       0.19421786 
Hf       2.85497004       7.93060002      10.31360005       0.30279315      -0.91339695       0.63776854 
Hf       2.68956997       0.12974602       7.54905001      -1.45198925      -1.49590392       1.94630879 
Hf       5.44513002       2.63253996       2.42001996      -0.23469904       2.60212639       1.78052099 
Hf       0.29922001       2.45837005       7.39016004      -1.52886891       0.98409761       0.89797163 
Hf      10.21380001      10.32899996       4.53279995       5.69273720       8.43379876       7.97533494 
Hf       7.67007001       5.26993005       7.67007001       0.50781316      -1.21223604      -0.99537678 
Hf       7.73096001      10.50889996       7.78319003       4.93608036       1.68794369       0.04392622 
Hf       8.10510004       2.62180995       0.01464698       0.94993641       1.69374292      -1.83109763 
Hf       7.80959002       8.16100003       5.05706002      -1.51187300      -4.44214373      -2.10705485 
Hf       2.83163002       2.57403000       4.97109999      -1.41871828       2.17128550      -0.88417824 
Hf       5.29040002       2.39902995       7.85325003       1.62382934       3.03959214      -2.33022856 
Hf       5.23732996       0.00789451       4.83163001       2.14573333       1.07326806       0.13894378 
Hf       2.83529998       2.49622001       0.03423678      -2.82264443       4.64190483      -3.31420216 
Hf       2.47139003      10.27630004       2.49701002       2.13951340       1.72303462       0.98664020 
Hf       0.21418302       2.59992997       2.66139003       1.51307155       3.85978279      -1.07538172 
Hf       7.88715005       0.02818057       2.34842998      -0.07785911       0.18451044      -2.84646066 
O       0.98885497       4.35864995       8.51522004       3.58602194      -1.71734643      -4.03432149 
O       7.06752996       8.84925995       8.84361002      -0.98002278       0.09586111      -0.83596402 
O       9.01064004       3.97817004       6.51770004      -0.22121100       0.83707049      -0.51841153 
O       6.18216005       4.00317004       6.67202998       1.70697439      -2.41957030      -1.84849332 
O       0.68443997       8.89823998       6.07544996       1.54128796       1.77027768      -6.16747753 
O       3.76566995       3.55189005       6.57699000      -0.71162974       2.57382829       1.07897962 
O       3.48727995       8.76010997       6.88838004      -1.36656693       1.51348005      -1.44205507 
O       1.73956996       9.25713000       1.00336997      -2.15686487       1.21280709      -1.27203589 
O       9.07748997       3.75162001       9.25866999      -1.70864249       0.00142668      -0.61743403 
O       9.85392996       3.84737005       1.18934998      -3.28411710      -2.55025425       1.23022982 
O       3.62972005       9.21243003       4.11825001       5.81719948       5.37986318      -2.03042724 
O       3.46448999       6.74737998       2.83034999       2.23478902       1.13300221       0.69086374 
O       6.93446000       4.13773996       1.17659997      -2.43766592      -4.03478227      -3.78168112 
O       9.29948997       1.49601999       5.31316998       0.56594849      -2.09144935      -0.50212435 
O       9.68427996       6.40556005       8.62424001      -0.73959217       2.92403540      -1.32270635 
O       1.21601005       1.78857000       9.15701996       1.57219652      -0.85081092      -0.38933107 
O       1.40077998       6.65107999       0.92005499       0.46799938       2.43655302      -0.62995450 
O       3.34297997       6.04324003       5.65638000       1.39720652       1.07362850       0.39498770 
O       8.93006997       6.98611995       3.19802997       0.48741431      -1.93627414       0.90679677 
O       1.10665005       6.34770001       3.81568995      -2.01415423      -0.15604298       0.50700115 
O       1.10471000       6.02294996       6.57447998      -1.99186881       2.16355922      -0.37463806 
O       6.09673996       6.18961005       6.81722004       1.02397205       3.10846760      -0.44627078 
O       1.27209004       0.91137405       3.92296000       1.03468110       0.16530583      -1.99928645 
O       1.07646002       0.83965999       6.42296995       2.55802656      -0.25948441       1.38242084 
O       9.78341997       8.99489000       1.03908996      -1.74809250       1.11894250      -1.52456299 
O       9.18613000       6.04912001       0.37432005      -2.82381569       3.03396606       3.75986535 
O       6.46670001       9.63626995       3.37269000      -1.32305897      -1.87074274       1.92685784 
O       4.46529000       3.44765995       4.02894002      -0.13162885       1.19102880       2.37955945 
O       6.91124996       6.27876003       9.21184005      -0.04535526       1.39051695       2.21117878 
O       6.90205004       9.17391003       0.93345902      -0.44738951       0.34737764      -0.00245946 
O       9.45371004       1.25744001       2.88540003      -2.41880538      -3.68880027      -0.23918493 
O       3.98988999       9.03389000       1.20684004       1.42886554       3.91240825       1.31195360 
O       1.43502002       4.34129999       0.60417601       2.77442248      -2.43887609      -0.32430054 
O       9.08398005       0.92547603       0.14211503      -0.16042350       0.95448186       1.50047801 
O       6.74346996       1.37575997       6.28810004      -1.75007362      -0.87110769       1.20715538 
O       4.58461001       6.85920996       0.60265298      -0.92213754       0.44263119      -1.78534346 
O       2.24520003       7.19936002       8.51896004      -2.35914180       0.23400729       0.84610968 
O       3.68648999       4.16442003       9.48582001      -0.30848298      -1.10243307      -0.76044601 
O       3.92192004       1.23280996       8.85543003       0.30316427       1.44686208       2.19089853 
O       6.06523999       7.03687002       4.35928997       0.05850163       0.28837833      -0.51881751 
O       1.30926997       1.68739998       1.01487998       0.06749249      -2.52982220       2.43959403 
O       3.98471996       4.16795000       1.51337996       3.08771424      -2.27875867      -1.52807521 
O       9.25431999       1.56430004       7.91771002      -2.11824379      -1.78602184      -0.25022306 
O       8.46667999       9.25056998       6.51224002       1.62217829      -0.38473484      -2.94767919 
O       1.82442998       3.69676000       3.38985004      -0.03621620      -1.76339967       0.27555551 
O       9.38696998       9.13878002       3.57985005      -5.38689342      -2.72504415      -2.94265297 
O       4.41004004       9.47986998       9.09455005       0.25379126      -1.28555490       1.16581641 
O       6.28402002       3.89511998       9.06377004       0.55936442      -2.25190971      -0.18015921 
O       1.03623002       3.55064004       5.80390997       1.28347304      -0.21219643      -0.58007081 
O       6.64697005       1.45623998       3.69575995      -0.38148738      -0.51129112      -0.06425885 
O       8.62274005       6.60220003       6.15393998       0.59581302       0.12430888      -1.59031595 
O       3.80461002       1.37349001       6.59068001       2.22410011      -1.99999591      -4.90568190 
O       1.56905000       8.83836004       3.47869003      -3.41749919       0.68224346      -0.13374185 
O       1.50066998       9.68585997       8.96047004       1.19731912      -1.83327935      -0.75376588 
O       4.45012004       6.39730003       8.41916000      -0.72533892      -0.38530422       1.83088466 
O       5.85354002       9.19024005       6.08392001       1.04646975       0.28206872       0.16977709 
O       6.88883003       6.48690001       1.66859997      -2.55035361       3.78809779      -1.82707634 
O       4.40432996       1.58936997       0.68560602       0.03620954       1.04419402       2.32199411 
O       9.57004002       3.89318004       3.76649999      -1.07886453       1.01066776       1.33951110 
O       6.81132004       4.10283999       3.56825998       0.79441989      -0.01962440       1.65518223 
O       3.66856995       1.58851002       2.98750005       0.15279440      -3.50541892       1.27775302 
O       9.59570004       9.75435997       8.85350999       0.18465654      -1.93212469      -0.55945200 
O       6.90585999       1.23928002       9.03153999      -4.24231609       1.19640714       2.29304260 
O       6.80777996       1.31685996       1.09822002      -0.68166196       0.16085945       1.57302858 
96
Lattice="10.53570951 0.0 0.0 0.0 10.53570951 0.0 0.0 0.0 10.53570951" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.010635355003177938 0.022835260017545253 -0.007239941951099029 0.022835260017545253 0.0005951269214775451 -0.002509567408362473 -0.007239941951099029 -0.002509567408362473 -0.002219166023172069" pbc="T T T" energy=-931.09354027 free_energy=-931.09354027 config_type=crystal 
Hf      10.15470001      10.51715223      10.16929997       2.35572954       0.91224495      -2.92127427 
Hf       4.80691999       0.01818685      10.24769998       1.06111310      -1.90004283      -3.03893514 
Hf       0.25895605       7.55545998       7.77684000       0.55049486       2.20692753       1.05706690 
Hf       8.17671000       2.78053999       4.91204003      -2.06034100       2.99456865       5.07161684 
Hf      10.25169997       5.10704000      10.29960005       4.42681718      -1.85382727       0.72654308 
Hf      10.24519996       8.29337001       2.01848001       3.43491607      -4.35167430       2.56023368 
Hf       2.70796002       5.16977004       2.26336003      -1.34351279       2.16611721      -1.79820805 
Hf       7.76053999       5.74695003       2.84836004       3.00354297      -2.61469233      -0.78979642 
Hf       7.98059999       7.46172999      10.30389998      -6.00673327       3.27597997      -2.20035503 
Hf       5.14545004       7.94246999       7.68913000       0.28323838      -0.12340198       0.43657734 
Hf       5.20144997       8.09025997       2.01876005       5.72523769      -1.99489483       1.33770610 
Hf       5.30097997       4.99721998      10.15289998       3.80398391       0.80672984       0.25121601 
Hf       2.92392004       8.01576998       4.88190000       1.31306519      -1.20396913      -2.52776628 
Hf      10.49510004       5.55536004       5.03561000       2.48778891       1.66885490      -1.33399697 
Hf       5.15493997       5.23262998       4.64156003       1.12077935       0.18640804       5.06267181 
Hf       2.78341003       5.18794003       7.71713002      -1.76152909      -1.01478543       0.46703638 
Hf       2.93657996       7.43171997      10.47500001      -3.63452739       2.39555013      -1.55725561 
Hf       2.64695004      10.16409997       7.51419003      -0.55670738      -1.37285530       1.22391621 
Hf       5.27671002       2.75380005       2.40281005       1.46521750      -1.39937804      -2.23049883 
Hf       0.19450005       2.78224004       7.56959005       0.08626708      -0.72543590       0.11199816 
Hf       0.28504099      10.34899999       5.24045000      -0.24074345       0.23476173      -1.47402016 
Hf       7.98843002       5.13791996       7.57514005      -0.87812870      -0.45506436      -0.71777798 
Hf       7.90181996       0.10968401       7.58399995       0.12925718       1.45057181       0.79558188 
Hf       8.01723001       2.55728999      10.51948062       0.97148749      -2.22388003       1.98123347 
Hf       8.05924000       7.97561997       5.41968002      -0.04941620      -2.26921144      -3.50580793 
Hf       3.05969004       2.27690000       5.01040995      -2.25952061       0.29270930       2.64890977 
Hf       5.28595005       2.44540002       7.82599003       0.40853194       0.35163760      -0.21944269 
Hf       5.53006001       0.19493201       4.82312002       3.12419862      -3.75867204      -1.74052544 
Hf       2.27888998       2.56358002      10.08159999       1.56642831      -0.44363567      -1.16055623 
Hf       2.78820999      10.49050004       2.28152001      -2.18295956       0.44462791       1.45099868 
Hf       0.23356098       2.80333000       2.79906999      -1.75333442       1.58357905      -4.41311730 
Hf       8.36381998       0.08122189       2.48677997      -3.86345806       2.61596175       1.44774544 
O       1.46896996       3.90776999       8.92304997      -1.47914107       0.69507168      -4.79225593 
O       5.71720003       9.83730997       8.46742004       1.41474086       0.93551772      -1.02139269 
O       9.24802003       3.77628001       6.57437998      -0.47131464       0.17013714      -1.65094430 
O       6.74184002       3.98177998       5.65138998      -1.43798615       1.96689013       1.95542587 
O       1.94297995       7.99494003       6.51904001      -1.10056176       2.98905694       3.10833155 
O       3.74789997       3.77286002       6.77385004       2.58022536      -1.32982196      -0.08984725 
O       4.24808004       9.17445001       6.18228997      -0.42312964       0.80283410       0.97688834 
O       1.14559005       9.53513002       1.34191004      -0.91567370       0.94380057      -0.18981669 
O       9.42789999       4.07578000       8.83050998      -1.23521820      -0.38924551       0.82850189 
O       9.71764001       3.78531997       1.36738001      -1.47247676       0.41912316      -2.22310075 
O       4.42518005       9.05608995       3.52726999      -1.79545093       2.33937955       2.25816427 
O       4.00908000       6.45914998       3.68667001      -1.07771687       0.79445931      -3.80216708 
O       7.22046003       4.20141001       0.32449501      -2.84843290       3.44569844       0.88787042 
O       9.55486003       0.98853496       6.36471999      -0.18673512       0.51794044      -0.18465327 
O       9.05644996       6.68345997       8.70840996       0.07314695      -0.62831014       0.26806037 
O       0.69121103       1.18285001       8.82909999       0.13159249       4.17595438      -0.14515000 
O       1.61019998       6.91695995       1.55912002       1.65637834       0.21912292      -0.24450135 
O       4.32839997       6.74714001       6.03653001      -0.14323864      -2.55587101       0.69056548 
O       9.13269004       7.14127996       3.32493001      -0.33345495      -1.04431096       1.25129540 
O       1.18335003       7.14598004       4.03948996      -0.57020687      -1.14860508       2.08144676 
O       0.98409195       5.92086003       6.84181000      -0.17057157      -1.35924333       0.42711129 
O       6.82174000       7.17794001       6.97855002       0.51415603      -0.11563346      -0.50049657 
O       1.40568005       1.46392999       3.44847005       2.66506602      -0.51187101       1.40811719 
O       1.80882002       1.03592996       6.00786002      -0.69403153      -2.62351210       1.92304306 
O       8.73755005       9.07603005       0.95327205       1.12689819       0.72104042       0.10492863 
O       9.23932996       6.44144998       0.67806099       1.28969675       0.86323780       3.66185704 
O       6.76949005       9.24051997       3.09182996       1.15072624       1.15315678      -0.36506045 
O       3.66509003       4.00043998       4.09565003       0.27399021      -1.69083494      -2.17914290 
O       6.14242000       6.80049000       9.42969001       2.03772381      -1.60205323      -0.60374809 
O       5.83932997       8.71613000       0.08875377       1.09710173       2.63097170       2.10841128 
O       9.15085002       1.90438997       3.58056003       5.18665868      -1.13537722      -3.12278523 
O       3.89037005       9.13470004       1.18746001      -4.67573703       2.78777398      -2.07125331 
O       1.50557997       4.52286999       0.54617497       2.67965538      -0.76952309       2.62461816 
O       9.50115004       1.19267003       1.12361003      -1.07166178      -1.03098172      -0.03216421 
O       6.74807000       1.58000000       6.62817004       0.42835875       0.05654633       1.66451849 
O       4.39208001       6.45354003       0.78841296      -1.20321452      -0.06791085       1.42757731 
O       1.19466001       6.56917997       9.62313996      -0.53056766       1.15837048      -2.51068860 
O       3.85554995       3.89506002       9.62162998      -0.82400017      -0.12662172      -3.80035951 
O       3.40925003       0.98908103       8.62003000       1.93777178       3.17540716       1.63145319 
O       6.78176004       6.34031002       4.35937001       0.00732921       2.21018595       0.39084286 
O       1.30830997       1.83164005       0.86477599      -3.41642119      -0.83965019       3.55667165 
O       4.32944996       4.00132003       1.25533000       0.34504899       0.19851642       3.31128125 
O       8.57446000       1.51213002       8.98052005       0.47418320      -1.04868016      -0.77866679 
O      10.00129997       8.82265003       6.20703003      -0.71144468      -0.65468278       0.53110965 
O       1.13294003       4.60319003       3.18235004      -0.81499335      -1.24376797       2.39786049 
O       9.59920999       9.45597997       3.68222004       0.85758156       2.04971283      -0.89831840 
O       3.23487002       9.10905002       9.18074004       2.49390726      -0.41334723       0.78731064 
O       6.30393000       4.21368000       8.44677995       0.19720779      -0.33352147      -1.53897206 
O       1.50125000       3.41419001       6.11673004      -1.53710853       0.61116476      -0.96355255 
O       7.29835000       1.21973995       4.15939002      -5.60699465      -3.54685804      -0.48038176 
O       8.91171997       6.46445997       6.22609998       3.46533571      -2.53452244      -0.45441479 
O       4.49648004       0.98475001       6.14142005      -3.30527183       4.13694251       0.71664593 
O       2.04272004       9.78431999       4.13365002      -0.24249908      -0.77572509       0.13424127 
O       0.97383596       9.58783996       8.90038997      -0.03512382      -3.65856204      -2.05437969 
O       3.71483997       6.74672996       8.64793004      -0.10546379      -2.17341675       0.09279052 
O       7.30134004       9.52915996       6.04185001      -2.29977703       2.99559748      -0.03497981 
O       6.90680995       6.88174002       1.60851996      -0.86742445       0.56576518      -1.70346143 
O       3.53177001       1.46755996       1.04455997       3.37694786      -2.24480381      -0.57533159 
O       9.12707999       4.55950002       4.06677997      -0.11346851      -1.49334838      -0.37814899 
O       6.61518004       3.90095001       3.32546996      -1.29085879       0.26017140      -1.73448576 
O       4.18674999       1.35467995       3.45003998       1.18667720      -0.48159825       1.58519943 
O       9.03643000       9.50195001       8.83711998      -1.67782947      -1.43602523       0.44419008 
O       5.92318000       1.89121001       9.68323997      -0.89062647      -0.93095950      -0.98673463 
O       7.00050002       1.44172998       1.34822999      -1.79946160       0.06783954       1.87330927 
96
Lattice="10.53667943 0.0 0.0 0.0 10.53667943 0.0 0.0 0.0 10.53667943" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.023112182926193405 -0.0068619103769661 0.012652821740637898 -0.0068619103769661 0.004180604455865494 -0.014596309643017356 0.012652821740637898 -0.014596309643017356 0.025059783078067995" pbc="T T T" energy=-925.91364979 free_energy=-925.91364979 config_type=crystal 
Hf      10.34299998      10.21339999      10.24379999      -0.30652819       1.61979091      -1.37507372 
Hf       5.49299004       0.14751299      10.49020003      -0.47999789      -0.08493870      -0.76395399 
Hf       0.21250702       8.07977003       7.16648996      -0.37763164      -1.84792569       0.74832620 
Hf       7.78716001       2.64403999       4.94478000      -0.20982231       2.48620030      -0.61974287 
Hf       0.25991101       4.99812004      10.20589998       1.81442878       1.60429196       1.16412416 
Hf       0.07422195       7.61828001       2.24396996      -1.38778751      -0.99968311       0.50463251 
Hf       2.78738003       5.35142997       2.38211995       0.00011739       0.44783045       0.24275786 
Hf       7.95440999       5.25757997       2.57571995      -3.50457173      -2.10288101      -2.32094186 
Hf       8.10056996       7.34222997      10.27520003       0.35678717      -2.84077807      -0.50361919 
Hf       5.70603001       8.05125999       7.68020998      -3.25330597      -0.53167177       2.92932395 
Hf       4.99765000       7.74385004       2.51527997       4.03345664      -0.53274325       2.18749897 
Hf       5.14055002       5.22002999      10.12300002       1.93981405       0.49063214       1.73192549 
Hf       2.45671995       7.86182998       4.96024004       0.80379328      -2.39013871      -1.09790410 
Hf       0.17986997       5.21217995       4.75618998      -2.07514230       0.12231958       1.32371653 
Hf       5.34436997       5.59408000       5.40382002      -1.29669270      -0.27968372      -3.02356304 
Hf       2.91186004       5.59841995       7.69012004      -0.06812217      -0.56229322      -0.35480339 
Hf       2.58168002       7.88539000      10.18100001       3.59653967      -2.98518385      -2.05856672 
Hf       2.94914998      10.30750001       7.74385995      -4.93113684       2.16305458       6.61456168 
Hf       4.69731997       2.60329001       2.32590002       4.98251634       0.39782314       2.90275824 
Hf      10.46310001       2.06680002       7.32624003       1.36276240       0.69806807       3.27045127 
Hf       0.46432196      10.46310001       4.59050996      -2.65828913      -1.48270914       0.00769833 
Hf       8.14594996       5.34031999       7.34094997      -0.25582019      -1.31741998      -0.09349258 
Hf       8.05037996      10.38419998       7.57061998       1.88557618      -3.05226880       3.32727470 
Hf       8.09456995       2.58655998      10.12679997       1.99409864       0.59125261       1.71341753 
Hf       8.14934003       8.25305994       4.94720996      -0.46014582      -4.15002078      -2.92712262 
Hf       2.69472004       2.67620004       5.76575001       1.60222246       1.77239392       0.03560854 
Hf       5.60832001       2.33918003       7.89847002      -0.71863492       0.60518710       2.54567530 
Hf       5.10812002      10.52139345       5.03487998      -0.86802590       0.91526239       0.51345130 
Hf       2.43393997       2.44313996      10.00110001       0.32712075       0.89256360      -2.41124657 
Hf       2.58705004      10.51536278       2.08024998       0.87318717       0.76194939      -1.67799449 
Hf       0.07609105       2.62334995       2.52336003      -2.11915330       1.62925605      -2.18701923 
Hf       8.19217996      10.50885954       2.25442003      -1.70748661       1.59120944      -0.83060761 
O       1.66788997       6.58170003       8.86757005      -1.77290182      -2.81004865       0.68495131 
O       7.01640002       8.46502000       9.06955998       0.02501923       1.80204362      -1.56233071 
O       9.64336004       3.69633995       6.18679003      -1.13159139       0.06515857       1.77471314 
O       7.22232003       4.65026000       5.52856999       0.55534010       0.77429694       1.52344049 
O       1.51866004       9.36818002       6.00166004       1.09811152      -2.61547233       2.14174272 
O       4.54645000       4.45551002       6.87399995       0.21757085      -0.36908051      -0.31873834 
O       4.25211997       9.69499999       6.72982004       4.79801583      -3.87279824      -3.82763347 
O       1.59217002       9.31092001       0.45411698      -1.01607591       3.75955430       4.44960978 
O      10.38589997       3.12213001       9.65867995      -0.85757571       1.45998587      -0.97705620 
O       8.64013003       2.26621005       1.59843998       1.94179106      -0.38527788      -0.51604713 
O       1.65231002       9.29541002       3.33524995       1.91847720      -0.60906173      -0.20872860 
O       3.91492000       6.60419995       3.86760999      -0.69550434      -0.11626210      -0.88993735 
O       7.24902998       4.63779005       0.33940499      -1.23135263      -0.76365793      -0.34835209 
O       9.13480995       0.92059895       6.55462003       1.30015871       4.21541588      -5.81382769 
O       9.67123999       6.12118002       8.94451004      -2.52542120      -0.43965482      -0.99587138 
O       1.50709002       0.97795305       8.96664002      -0.66690858      -0.36609526      -0.85591132 
O       1.56942997       6.39019999       3.74658000      -2.08631946       0.13480760      -1.17627236 
O       3.86157995       6.87378996       6.22905002       0.20104494       0.58496149       2.10885743 
O       8.79715005       6.55964002       3.61289999       2.97762075       2.81682127       0.56248816 
O       1.33099998       6.40673004       6.40885002       0.61221699      -0.54116680      -0.82491322 
O       1.77515000       8.70686999       8.64007998      -0.12816607       3.71046613      -4.45738158 
O       6.59856999       7.34938996       6.10825004       0.71013678      -0.53880079      -1.70631649 
O       9.89709003       9.36053997       2.95534997      -1.81626550       2.21209678      -0.32800467 
O       1.39673000       0.89434102       6.26226005      -0.37619348       4.47799669      -0.31310508 
O       9.19420995       8.59216000       0.66633497       2.70902565      -1.25960063       3.53641963 
O       9.29223005       5.73328998       1.11961997       1.97920316       1.90036433      -0.16518898 
O       4.14419003       1.31017002       3.83020004      -2.21251472       0.11371706      -0.70377185 
O       3.40890998       4.14577000       4.51579005       1.04460972      -0.49629316      -1.39977074 
O       6.45089000       6.11641997       8.37476997       1.32727499      -0.57324869      -0.30713433 
O       6.07739000       0.68176805       2.12304997       0.98716990       0.46243372      -0.86316995 
O       9.13580999       1.30100996       3.90642996      -0.29118576      -1.70570325      -0.01107141 
O       4.43563995       9.43810995       1.51852000      -2.79119712       1.65482469      -0.58712845 
O       1.05488999       4.35863000       2.00728000      -0.49318142      -1.06895968       0.62036276 
O       8.37865000       0.08982635       0.16813495      -0.87763141       1.39705693       2.56853930 
O       6.23714998       2.30581995       6.05757999       3.40781843      -1.16151508      -0.98611099 
O       3.97882000       6.63340995       1.37243000      -1.79922306       3.02565016      -3.31369259 
O       1.43783001       6.69351001       0.85041603      -1.79649523       0.72402820       2.81398348 
O       2.29883002       4.48278000      10.36169996      -0.49638156      -1.09137863      -0.94747738 
O       4.56794999       3.63083004       9.22223995       0.10242745       0.27650453       0.37689064 
O       4.15720999       8.96304996       4.24299995       0.25412334       0.95594720      -0.20328610 
O       1.17351003       1.79726996       0.86895300      -1.36798913      -1.98237842       1.85588411 
O       4.41136998       4.60696004       1.49076997       1.52915515      -5.83973128       0.81363215 
O       9.45590999       0.77081900       8.73938997       0.96922911       3.55708419       0.80700102 
O       8.95958002       9.10231999       6.40533003       3.05991294      -1.40290358       0.61042482 
O       1.03311004       3.44892997       4.76730997       0.27414831       0.17336735       0.01318609 
O       7.09299999       8.95629995       3.12758001       0.82160132       0.76090861       1.85634900 
O       4.20984998       9.14836002       9.35515995       0.79043534       0.56554778      -0.22516554 
O       7.53926998       3.42555003       8.35131996       0.00833328       0.25887549      -1.27101476 
O       2.16403997       3.30942002       7.71729003      -0.66909480       0.58425102      -1.97403575 
O       6.26967998       3.11937004       3.63009996       1.36248438       0.03792069      -1.22388108 
O       9.23599000       6.58203004       6.14632001      -0.54634317      -1.10740543       1.51802893 
O       4.28299002       1.56037001       6.56880999      -3.52252547      -1.34146644      -0.54021024 
O       0.01087680       7.96485995       4.83355997       0.28795479       1.48618820      -0.46279266 
O       4.15841001       1.03287001       9.14926996      -0.18578759       1.13467651      -0.32954338 
O       4.08942005       6.71281004       9.01938000       1.22374620      -1.44135622      -0.23414161 
O       6.68540003      10.04250000       6.13563003       0.01375641      -1.13962051      -1.71312047 
O       6.65708997       7.18178995       0.98106295      -0.94682596       0.13779793       0.40336075 
O       3.55071999       1.73139001       1.02373998       0.61985072      -1.97821983       0.59284110 
O       9.37679997       3.95370003       3.36074998      -1.61084897       2.26333349       2.27855732 
O       6.22092002       6.21920001       3.47273001       1.07479450      -0.78801986      -0.04298560 
O       1.14673000       1.32478998       3.40444000       3.45641880      -3.11223628       0.57047331 
O       9.85436000       8.96694000       8.95753000      -0.58226868      -2.50154078      -3.64607443 
O       6.69149002       0.48579698       8.60398995      -4.86366446       2.42259942       1.94682049 
O       6.38852003       1.96591005      10.47690000      -3.19566906      -0.11647367       0.32508744 
96
Lattice="10.53891154 0.0 0.0 0.0 10.53891154 0.0 0.0 0.0 10.53891154" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00964683654682374 9.1050342456726e-05 0.007497335090311162 9.1050342456726e-05 -0.006362621403693872 -0.00034086645186927453 0.007497335090311162 -0.00034086645186927453 0.00949554529912162" pbc="T T T" energy=-932.86480645 free_energy=-932.86480645 config_type=crystal 
Hf       0.42710299       0.19590298      10.14319997      -6.18379562       1.52586799       0.49352720 
Hf       5.41032002      10.45970003      10.27050001       2.04159667       0.34559748       0.26045173 
Hf      10.44482931       7.82252005       7.76137002       2.41428785      -1.19897568      -0.58619520 
Hf       8.09079005       2.42315997       4.56438003       0.74982880       0.94397734       0.16391615 
Hf      10.11519998       5.08421996      10.23779998       3.15162110       2.38462462       0.37103254 
Hf       0.25486102       7.64952003       2.30895000      -3.50962682       0.47856605      -0.31248018 
Hf       2.73546997       5.13263003       2.55096999      -1.56380277       0.50730484      -1.66262375 
Hf       7.52833003       5.19085003       1.95993002       3.97431107       4.35566123       4.03607642 
Hf       8.06157998       7.88956998      10.32140000       0.68136469      -0.08962109       1.32278462 
Hf       5.28149005       7.56946003       7.61933996       3.02751008      -3.46162652       4.21385260 
Hf       5.29123000       8.17578995       2.11716004       4.44536178       2.58349141       3.06381248 
Hf       5.37229995       5.49461002      10.27290003      -2.77132165       1.43574183      -3.17340416 
Hf       2.69616995       7.97551997       5.03954004      -1.53410224      -1.40614384       0.79568736 
Hf       0.20097198       5.19770001       4.97106999      -1.02320669      -1.92444600       1.37310688 
Hf       5.32342996       4.95151999       4.87661995       0.37452798       2.88628624      -0.45530350 
Hf       2.75023003       4.90567004       7.58569996       1.19660383       1.75091862      -1.84120693 
Hf       2.49106998       8.00125999       0.21120695       3.07055706      -1.87134699      -3.17449949 
Hf       3.01627000      10.33899998       7.94026004      -1.71288577      -1.22088163      -0.66250913 
Hf       5.14714000       2.47087005       2.49122996       2.92343103      -0.90831024      -1.41884039 
Hf       0.01638896       2.46736997       7.55274004       1.66450585       2.86421194      -0.59720195 
Hf       0.50906895       0.03800458       5.51873001      -1.56214605      -2.68268168      -1.68626869 
Hf       8.01240004       5.15971999       6.97510999      -4.74216254       2.25948592       4.40474838 
Hf       7.95833996      10.07130003       7.75996002      -0.09605184       0.14176060      -0.65581051 
Hf       7.57538996       2.72446998      10.05019997       1.75643273      -2.34250572       0.68850546 
Hf       7.77547003       7.60185000       4.66636002       0.14127062       0.86731086      -1.56177062 
Hf       3.06789001       2.42338003       5.01909002      -2.86985821      -1.96133375      -0.95558735 
Hf       5.29717005       2.32093000       7.44529004       3.24417838       0.42663155       1.74536938 
Hf       5.36187001      10.22470001       5.13379995       0.09190807      -1.19361496      -3.14030330 
Hf       2.71283998       2.84551002      10.32039996       0.84827769       1.70754952       1.31526260 
Hf       2.46654003       0.29440102       2.28025001      -0.65141044      -3.76632281       1.14049547 
Hf      10.46280005       2.65011997       2.22716004      -1.62517981       2.83866084      -0.09257386 
Hf       8.27651002      10.24260003       2.58227003      -0.91048869       1.04812190      -1.80302495 
O       9.20308005       6.27188995       8.79959002       0.24229938      -0.11210971       0.29849637 
O       6.87878002       8.94586000       9.02093004      -0.24107218       0.96743062      -0.73132057 
O       9.45296998       4.12220999       6.83518002       3.48160913      -5.11566235      -0.67661077 
O       6.72578000       3.64590999       5.74828995       0.61891459      -1.66273709       0.07081639 
O       1.65632000       8.94591997       7.11450997       0.44115868       0.51661750      -1.35814884 
O       4.12633998       3.77377998       6.03831995      -0.60013613      -2.61449629       2.95132083 
O       4.28211004       8.50598997       6.41549000      -2.66753566       4.54072372      -1.71350417 
O       1.86815001       8.88829004       1.81693997      -2.94201972       1.04456722      -0.15879514 
O       9.64326003       3.34580005       9.58056005      -1.32927095      -1.25594489      -1.88345207 
O       9.01758003       4.01154004       3.91474003       0.41411653      -1.49085266       1.00501310 
O       1.42649996       9.34582002       4.15751998       0.82523930      -1.31988599       1.53453470 
O       3.67208001       5.96806999       4.05930997      -1.17993748       1.45943520       1.38089464 
O       6.78793998       4.39536003       0.42649995       0.50900844      -2.33999149      -2.16357344 
O       9.89427003       1.67655998       5.73712998      -2.11045327       0.67621777       0.17483838 
O       9.70572005       9.54340996       6.66983999      -1.03914932      -0.88270007       0.71665875 
O       1.41496997       4.56157995       8.86575004      -0.76182171      -0.63670208       1.83402666 
O       4.09983999       9.94814000       1.23490002       2.33426310      -2.52216986      -0.70064061 
O       4.47069997       5.97550003       6.64831995      -1.86974608       0.60023160       1.76541267 
O       9.12232996       6.35215999       1.06776005       0.67938159       6.04613377      -2.97793807 
O       1.42280997       6.62785001       6.13447003       2.52517515      -1.84845085       1.57051422 
O       1.92915998       9.82267004       9.55588002       2.22105754      -2.44082641       1.06175085 
O       6.61210003       6.13652996       5.90825998       2.62398268       1.63110607      -0.24250601 
O       9.23361001       9.09933996       3.94869998      -0.79873976      -0.70033673       0.93244698 
O       1.59661000       1.01473003       6.73261997       1.24576634       1.42998146       0.46484195 
O       9.53458004       9.31033002       1.41963997       2.61659498      -2.93626500      -2.07312470 
O       9.16258998       4.36432999       1.34037998       1.79749356      -6.50477532       0.55398892 
O       4.37438001       1.10363998       3.84181002      -0.56721249       0.41014526       0.00044566 
O       3.87709999       3.63458003       3.62394005      -0.48419653      -1.38578062       0.15169856 
O       6.66243999       6.28167997       8.81179999      -0.84579191       0.95460321       0.00346974 
O       6.38286005       1.91558997       0.86342299      -3.18557197      -0.46781274       0.03232646 
O       9.33230998       1.29118002       3.07100004       0.99367043       1.45316758       3.17353863 
O       6.55788998       9.45522003       3.31638995      -0.93077732      -0.19697403       3.76167907 
O       0.96317600       3.99921004       3.38534004       1.73493768       0.34344984       1.89079474 
O       8.83878002       1.22769003       0.70620804       0.06362765       1.24298911      -2.08047067 
O       6.87765004       1.42046000       3.35145997      -0.77537850       0.86293932       0.93552628 
O       3.69755003       7.33844002       1.84696996      -2.03763740      -3.19224695      -1.52594216 
O       1.37916001       6.20954997       1.27875000      -0.15460260       1.99578424      -0.20960160 
O       1.48724003       3.73817996       1.11831004       0.84713631      -0.89264714      -2.22594467 
O       4.19361997       3.95344998       9.16434997      -1.58451439      -1.01682840      -1.21422346 
O       4.12955002       8.95555000       4.14228999       0.13144694       0.27839689      -2.18552473 
O       0.85143898       1.24565002       1.22626001       2.51503679      -2.21417867      -0.27257292 
O       4.31526999       4.57697003       1.36819996      -0.46266172      -0.52250594      -0.82295884 
O       1.81870998       1.58220004       9.22120002      -1.96121694       1.11988065      -0.42411321 
O       9.46670998       8.87351996       9.22794999      -0.18240050       1.45343466      -0.89510567 
O       1.38032003       3.71677996       6.37336997       2.30643460       0.23195270      -1.03364354 
O       7.01528000       9.44704005       1.02936005      -1.94704466      -0.47033462      -2.65875481 
O       4.42007999       9.14324001       9.15831002      -0.69124963      -0.05806917      -1.42167510 
O       6.71369999       3.80211995       8.31177005       0.39305678      -2.08043608      -0.17102593 
O       1.17697995       7.43593001       9.52100002      -2.40889807      -0.89145482      -1.78309205 
O       6.49890000       4.07401997       3.12630003      -2.68205507      -1.40346649       1.76447785 
O       8.74605004       6.42841998       3.44478003      -0.23269971       0.47871652       0.70910337 
O       3.98627995       1.01889997       6.23507005       0.84609901      -0.03978535       1.01163262 
O       0.80243104       6.53639998       3.78831999       2.18959439       1.89301379      -0.91214695 
O       4.11958000       1.11814005       8.89738996       2.36210507       2.05799009       0.43031113 
O       3.86385005       6.69200996       9.39660998       0.67292742      -0.30152199      -0.20397762 
O       7.08374004       8.76972001       6.39300997      -0.71055952       0.14226881       0.44261837 
O       6.56839000       6.94716997       0.90032604      -2.07552470      -1.48155995       0.77404776 
O       3.49764996       1.54794995       1.35396000       1.73408368       5.70055380      -2.51135416 
O       9.70899997       6.40189997       6.27884005      -3.89416423       2.18880427      -0.16568574 
O       6.08612003       7.03654995       3.71879995      -0.24466603      -1.11079598      -1.35613311 
O       1.68378999       1.23399999       3.69873998      -0.90164530       3.03090831       3.71917001 
O      10.09969998       0.86558104       8.45689002      -2.62010039      -1.52923237       0.68199071 
O       6.53742004       0.74399499       6.30544005       1.51497587       1.75368726       1.79183624 
O       6.62890001       1.16651997       8.87093002       1.19772208      -0.18955298      -0.44568664 
96
Lattice="10.54112196 0.0 0.0 0.0 10.54112196 0.0 0.0 0.0 10.54112196" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.009518395794831462 -0.010177361508282471 -0.015452063835283249 -0.010177361508282471 0.005527219499419624 -0.011074431370207147 -0.015452063835283249 -0.011074431370207147 0.021536800913229254" pbc="T T T" energy=-927.56316346 free_energy=-927.56316346 config_type=crystal 
Hf       0.21365600       0.17819503      10.23010004       1.03667908      -2.85786765      -1.84151888 
Hf       5.64222998       0.02607051       0.12610998      -2.25478508       1.68733138      -2.10948110 
Hf      10.28120003       8.09076996       7.48126995       2.77683055      -1.28235403       0.63444639 
Hf       7.97104000       2.65039003       5.30836998      -1.38860618      -1.36088088      -0.27786801 
Hf      10.03890001       4.98254000      10.03000003       2.71858983       0.57855416      -1.40248921 
Hf       0.32237597       7.93200000       2.62020995      -0.17187287      -0.55163952      -2.95024367 
Hf       2.64340000       5.32925005       2.02939999       0.44706699      -2.01845059       1.58190784 
Hf       7.98464995       4.66912999       2.39835001       0.88801863       2.21612417      -3.05326709 
Hf       8.30183000       7.88099995      10.22530004      -0.53625272      -0.41065237      -0.20378492 
Hf       5.11385002       7.98167999       7.60376001      -0.97116358       1.37823542       0.89169286 
Hf       5.50010002       7.57762003       2.25051004      -4.20448405      -0.76349591      -1.41780461 
Hf       5.65808003       4.87182997      10.35950001      -0.45393018       2.17087375      -1.57319965 
Hf       2.73922997       7.61503995       4.88778997       0.06692445       1.63047357       2.28147625 
Hf       0.12000098       5.22780998       5.18498004       0.77606968       0.78074126       0.19322976 
Hf       5.47223004       5.31166999       5.34509999      -2.14656580      -0.50829626      -2.73960804 
Hf       2.41545003       5.43016000       7.73726996       0.24200028      -0.17374979       2.07543561 
Hf       2.97423996       7.73229001      10.21030002      -1.03054039       2.74171177      -2.02729834 
Hf       2.54122996      10.44290000       7.57088003       1.89481731      -1.19367380       1.52971210 
Hf       5.29642004       2.27205999       2.73186004      -2.37200270       3.97462186       1.64153297 
Hf       0.55332299       2.74573996       7.39771997      -1.61340182      -1.49128498       1.99120546 
Hf      10.37990003       0.00110134       4.99855998       3.83642783       0.94006177      -0.49283690 
Hf       7.83131005       5.33637005       7.30841000       0.91697596       1.65774905       3.43727446 
Hf       7.99507997      10.38470004       7.72797996      -2.76168807       0.77230388       1.54208635 
Hf       7.82607996       2.41942003      10.13850001      -0.93265926      -0.67948243      -2.59200189 
Hf       7.67319996       7.66042001       4.55939997       2.19838952       2.93589617       0.92222502 
Hf       3.09917998       2.67625004       5.25970995      -3.79909409      -0.95457159      -0.47671966 
Hf       5.10795996       2.25288000       7.64340000      -3.37696588       1.47868590       4.84681977 
Hf       5.18414001       0.00607116       4.85189998       2.33200733      -4.04235928       2.97160414 
Hf       2.44059999       2.81026997      10.40819999       0.51997493      -1.20756628      -2.75074644 
Hf       2.38820998       0.07280795       2.14395995       0.85183053       2.02531192       2.81660470 
Hf      10.44789997       2.73335003       2.39050004       2.63692050      -1.39221995       2.46206825 
Hf       8.08505003      10.49669999       2.31239001      -2.10991184       0.89833950       0.30488279 
O       9.11041996       6.56824003       8.38750001      -0.28702452       1.92041550       4.27670853 
O       6.60357998       8.92738002       8.52277001       3.24447890      -0.37238360      -0.08234006 
O       9.52268999       3.95757000       6.46252997      -2.64151434      -0.05224529      -0.29932315 
O       6.33397002       4.05000004       6.68426995       2.22204224       0.79962620       0.38285959 
O       0.89961603       9.80740000       6.59215003       1.08094872      -0.96164221       0.25837157 
O       4.08532998       0.99354797       6.49244999      -0.07504874       1.13350228      -1.28155701 
O       4.11242003       7.12085002       3.65911995      -0.85166293      -1.69750397      -0.66414324 
O       1.45165996       9.32315003       1.16689999       0.07170023       2.49370138       0.10911811 
O       8.35064003       4.33822004       9.26546005      -1.38179093      -1.76389677      -0.37409491 
O       9.61370003       4.35215002       3.62431001      -3.96481815       0.65289388      -0.30745037 
O       1.47480995       9.06026003       3.89422998       0.21824463      -0.58523022      -0.52511190 
O       4.47319004       6.05255000       1.09356003      -0.75598473       2.66232707       0.46011228 
O       6.52838995       3.64818997       1.27372003      -0.42290259       2.81118105       0.92533227 
O       9.46216002       1.51353003       5.73258004       0.62543996      -0.88557696       3.97974330 
O       9.28332999       9.40192004       6.31162000      -4.35572373      -1.43907745       0.10347122 
O       0.84565097       4.17373004       8.74854999      -0.01308947      -2.42144177      -0.60564228 
O       4.49515995       9.10793004       0.68581404      -1.18283470      -2.92756198       1.66327423 
O       3.96748003       4.27402998       5.78303997      -1.50305118      -1.26325398       1.32840601 
O       9.28891995       7.08032995       3.51449998      -1.08860231      -0.19469197       0.58970880 
O       3.98070998       6.74154999       6.37192997       0.65877034      -2.33689837      -1.11697810 
O       1.52926001       9.28906995       9.13389999      -0.58826993      -0.00667410       0.07605875 
O       6.80636998       6.61429999       6.00742999       0.80631091      -0.12435726       3.21268349 
O       9.51889002       9.75901003       3.39824995      -0.03760237      -1.64390032      -0.59453019 
O       1.84742997       1.59884997       6.44742001      -0.83390472      -0.12170530      -0.57543859 
O       9.84213004       8.54270001       0.57353296       0.17967113       0.10216304       2.69324544 
O       8.89809003       3.36166003       1.07689999       0.99195561       1.13899697       0.83037843 
O       4.07153998       1.33497997       4.10144999      -2.84211312       3.62147363      -3.28864344 
O       4.12326000       4.41856995       3.05748995      -0.03324013      -1.76501105       0.26013140 
O       6.30263000       6.11171995       8.67748997       0.78440867      -0.64184092      -0.67774244 
O       6.52621005       1.49827997       1.60685005       2.66247206      -5.43157565      -4.52678495 
O       8.83624000       1.95109000       3.64001997       0.88121951       1.42306207      -3.86649143 
O       6.81211995       8.70588996       2.95022002       5.05452554       2.35482847       0.92389998 
O       1.23349005       3.76787998       3.39749004       2.22974324      -0.11904365       0.02814234 
O       9.21087000       0.71560704       0.85665600       0.00069244       1.88058426       0.24962721 
O       6.91145000       0.84740701       3.94023998      -2.33995231      -1.58303004       0.59128356 
O       6.98748996       6.43516996       0.80993796       0.26284520       0.21123829       1.21552907 
O       1.92327999       7.15359001       1.40948999       0.58978856      -2.07208397       0.39030076 
O       0.92231202       3.93948998       0.86380900       1.30334534       0.73602744      -0.53406293 
O       3.14764996       3.45655996       8.20959001       0.78506039       0.12608888      -0.54347808 
O       4.59341997       9.42898995       3.40029999      -1.63687305       0.89995290      -1.74350994 
O       1.20012002       1.43555998       1.02515004       0.15289813      -0.62777182       1.42638683 
O       3.70716997       4.25108997      10.47996374      -0.44679819      -0.21094218       1.42810581 
O       1.47995002       1.50570999       9.01712998      -1.46425552      -0.92147159      -0.07160960 
O       9.51103003       9.45978004       9.01411996      -2.22560344      -0.41313652      -3.02740984 
O       1.53452003       4.05208002       6.26386998      -0.59868741       1.72782748      -2.16425775 
O       7.46974998       9.65064002       0.27277398      -1.31696150      -1.42037577       3.17020837 
O       3.90036997       9.16603998       8.81293000       0.56724530      -2.35101656      -1.73337029 
O       6.00596003       3.13316003       9.16756001       1.71985495       1.50924550       3.02795859 
O       1.11371001       6.32474001       9.07795004       1.39158299       2.30409477       0.96947843 
O       6.07923000       3.09614003       4.55752998       0.72051574       1.91614015      -2.51353981 
O       9.40341002       6.59724003       6.23179999      -1.15015876      -0.35267876      -3.24185167 
O       3.57509003       9.16699005       6.06320001      -1.35906539      -0.22679686       0.06311704 
O       1.29946999       6.12039003       3.81512002       1.53756577       3.02048789      -1.03463542 
O       4.26911002       0.91463597       9.15767001      -0.27305909       1.84205599       0.13331752 
O       3.87636995       6.59515004       8.90590997      -0.99631650      -0.74792195      -0.10744837 
O       6.09184003       9.21670999       6.02040000       2.34412641      -1.58726876       0.12189153 
O       9.68080998       6.08908005       0.93471902      -1.62325233       1.02122425       2.54113601 
O       3.72178998       1.72600004       1.29285996       0.20223450      -1.20666585       1.10903457 
O       1.28377995       6.75560995       6.49580998       0.65422649       0.33205852      -1.16368547 
O       6.43119996       6.42983004       3.79326996       0.43302188      -3.33616582      -3.01000254 
O       1.02672004       1.32620997       3.88429002       0.49508491      -1.70371802      -2.09939220 
O       9.20662003       1.68462002       8.61926998      -0.40269274      -0.47278322       0.85067512 
O       6.54165005       1.38085999       6.91081996       6.18173961      -1.76253855      -3.81394106 
O       6.67317996       0.69275105       9.19651004       3.62349562       2.13221092      -0.01656542 
96
Lattice="10.54331487 0.0 0.0 0.0 10.54331487 0.0 0.0 0.0 10.54331487" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0155776638455365 0.0028616076345632318 -0.01174784315639416 0.0028616076345632318 -0.021732342588181148 -0.011751268003523224 -0.01174784315639416 -0.011751268003523224 0.018909589302877436" pbc="T T T" energy=-931.50843217 free_energy=-931.50843217 config_type=crystal 
Hf       0.09201815      10.32420001      10.36490005      -2.55896940       0.67640732       0.89544710 
Hf       5.23188004      10.45800005       0.14712595       1.24396141      -2.52229625      -0.51625873 
Hf      10.27500005       7.58520000       7.86583995       0.48707642       2.22288260       1.90957565 
Hf       7.91804001       2.64214005       4.83398999       0.11031696       2.75511445      -1.22709408 
Hf       0.32876902       5.33101999      10.12719996      -1.43498249      -1.68648212       1.89857455 
Hf       0.08868509       8.01865001       2.74547002      -3.42600009       0.56161258      -3.13291642 
Hf       2.85198997       4.59972998       2.11937003       1.65133460       3.58742622       2.63508718 
Hf       8.28772005       5.40220002       2.04565001       0.30219928      -3.93998903       3.00466539 
Hf       7.70431995       7.72305005      10.48099998       3.81583218       0.88867888      -2.21481971 
Hf       5.02029005       7.79981002       7.56543002       2.28750369       3.00097189       2.64246155 
Hf       5.33160999       7.59573003       2.72225997       0.55415837       0.26620726      -2.72454489 
Hf       5.33204005       5.62093004      10.28380003      -0.33635615      -3.42914220      -0.32853483 
Hf       2.34684004       7.98691000       5.07511001      -1.11401518      -1.32856541      -1.44000873 
Hf       0.01479385       5.21326002       4.87483996      -0.12105701      -1.62436087      -1.16864869 
Hf       5.51491005       5.37866997       5.38916995       1.28321406      -4.11161032      -6.43338922 
Hf       2.95485003       5.17796005       7.12227004      -2.78498126      -0.91171335       0.95781874 
Hf       2.69109003       7.62738001      10.08610001      -0.36703278      -0.70941884       2.38413604 
Hf       2.37975996      10.06569997       7.57519998       2.27877050       2.50614593      -0.87004914 
Hf       5.58465999       2.68684002       2.10919003      -2.56720675       1.90008273      -2.16675091 
Hf       0.46251298       2.97332002       7.69862003      -1.70404049       1.76221865      -2.89116224 
Hf      10.29260001       0.36919104       4.84072000       5.01104209      -3.00088782      -2.65250932 
Hf       7.85642003       5.13635001       7.72795996       3.21734410      -2.75140560       2.28427681 
Hf       7.82676000       0.38578200       7.65456004       0.22666079      -4.25648618       1.89055003 
Hf       8.02682003       2.73238998      10.12379996       2.34750280      -0.42805664       1.04524381 
Hf       8.05938000       7.90202999       5.35378005       4.77770259       3.26342483       1.20168756 
Hf       2.62249005       2.33361999       4.84485003       1.51773669       0.02849377      -1.94209382 
Hf       5.07526996       2.10735001       7.62285998       0.13456132       1.36177463      -1.69720524 
Hf       5.34490996      10.41449190       4.85529002      -1.28843107      -0.26741328      -1.05424538 
Hf       2.80979004       2.41801996      10.03460003       2.26960791      -1.71184189       1.08008938 
Hf       2.29065999      10.30860002       2.40449004       2.96177784      -1.12518408       2.28307101 
Hf       0.25181601       2.70344995       2.17243000      -1.76487618       0.32078080       0.36720738 
Hf       7.91603003       0.14624801       2.36454996      -0.06294278      -3.19381315      -0.67579691 
O       9.31606005       6.22959002       9.10935003      -1.40320432       0.09266285       0.35056232 
O       6.64876998       9.92225996       9.15892997      -0.02289813       1.06918002      -0.62398686 
O       9.35288996       4.05085997       6.05559001      -1.19716832      -0.77646007       0.00298600 
O       6.64700998       3.35342001       6.18397996      -0.09615079       2.98327388       0.34988350 
O       0.86841900       9.18157996       6.59340998      -0.43733351      -0.18564239      -0.65704380 
O       3.64081001       1.17551002       6.17586003       1.63363387       0.32480704       0.90013263 
O       4.16729001       5.74994996       3.14829002       1.35312390       1.37933393       1.38239270 
O       1.55387997       8.68111000       1.39626004       0.56514339      -1.05314229      -1.89319078 
O       9.53857998       3.82953998       8.67115005      -0.76438647      -1.18881864       0.34409196 
O       9.52543004       3.58574997       3.55328004      -1.74633644       1.64270075       0.27575494 
O       0.75970404       9.57948003       3.76364996       3.41846528      -2.51668156       0.23288018 
O       4.59271003       7.12549998       0.65388901      -2.29245963       0.76565461      -0.95696047 
O       7.17293003       3.62777003       1.26081999       1.53722639       0.09859423       1.42783832 
O       9.00184997       1.23174996       5.67827998      -5.42567806       2.90130972       6.81817443 
O       8.49307999       9.11913001       6.93198998       1.76270115      -0.91449947       0.27912649 
O       1.55785005       4.45022999       8.71390002       1.07385046      -3.18872424      -2.04753138 
O       4.62563005       9.30702000       1.85191997      -1.93282447       2.69245573      -3.29404793 
O       4.21711002       3.67267000       6.23796004      -1.66993056       2.69785858       0.90746525 
O       9.31097997       6.66292996       3.74439997       0.01094353      -1.55915440       1.97152159 
O       4.07957005       6.73328002       6.25440002      -2.66790798      -2.75880603      -3.13475173 
O       1.60566999       9.04215000       9.05216004      -1.35784416       1.16003709       1.42215248 
O       6.21826998       5.95396995       7.06110995       0.59030285       0.62760133      -1.18408089 
O       8.79001000       9.30227003       4.08568001       1.30473003      -0.43404273       0.47566659 
O       1.18336996       1.42608002       5.89751999      -1.68620904      -0.71522148       2.03489434 
O       9.65152998       9.60813001       1.36354003      -1.33130101       0.56719686       2.41337013 
O       9.88253001       3.92622998       0.71027698      -2.18090986       2.62903503       0.72194942 
O       3.77411999       0.69948895       3.40277000       0.15163762      -0.44129811       3.64957380 
O       3.82820003       3.32452996       3.38932000      -0.19174983      -1.90295725       0.57342942 
O       6.47346997       6.92897997       9.05715999      -0.00917191       1.17131613       0.92482916 
O       6.78317004       1.31133997       0.59486595       0.29740445      -1.30837126       1.14449877 
O       9.15295001       1.18531003       3.39012003      -0.50981679       0.91617212      -0.88050537 
O       6.47326005       9.49772000       3.48963996      -0.82139008       1.35511323       1.19505970 
O       1.27777997       4.23548997       3.40049001       0.34090312       0.29821457      -0.02919954 
O       9.88124003       1.57268998       0.89721796      -1.33672838      -1.55804899      -1.56350028 
O       6.39778004       1.51047999       3.34692997       2.77307738      -1.19565719       3.35087303 
O       6.72533005       6.30688001       1.38223997       0.54057147      -0.14797896      -1.18385149 
O       2.02343999       6.13075003       0.70061603      -0.46307699      -1.37094894       0.20049650 
O       1.79076000       3.37380003       0.85309798      -0.28614167       0.22920451       0.57650749 
O       4.24677005       3.52467001       9.25442004       0.83056498      -0.06041281      -2.35022862 
O       3.74791005       8.02055003       3.64756996      -1.99431606       2.42758614       3.40114838 
O       1.82760002       0.60660098       0.84527105      -0.86640530       1.91462140      -4.02100984 
O       4.60467005       4.23878001       1.16580996       0.02900346       0.53571029      -2.08725909 
O       1.30623005       1.76342002       8.89249998       0.54775041      -2.29335664      -0.02189743 
O       9.34991000       8.75838006       9.71481001       0.95048159      -1.45092006      -2.23278716 
O       1.35846005       3.94794004       5.88703003       2.38198141       0.00314563       2.13507320 
O       6.81648997       8.78257001       1.12343005      -0.11214748       3.02869208       1.18376157 
O       4.14058000       9.29235003       8.65454000      -1.31374267      -3.21519205       1.27877599 
O       7.04016998       4.48860997       9.64959001       0.57620231       0.51311655      -2.42723921 
O       1.22044995       6.60465000       9.02442996       0.75979247       4.91489866      -2.50624275 
O       6.77156997       4.66510000       3.77336003       0.42296754      -0.67071825       1.00221360 
O       9.19510999       6.33623998       6.75524997      -1.13759408       2.19382489      -2.59200849 
O       3.48180996       9.10877005       6.19720001       0.19988701       1.06444138       0.54104422 
O       1.45693998       6.96036004       3.46520003       0.35831862      -1.39172785       2.37885137 
O       3.93034999       1.01150001       8.84559003       0.19621715       0.46352162       0.05273586 
O       3.83863000       6.07080000       8.67330004       0.41018513       1.69259908       1.37501863 
O       5.96716997       9.03199004       6.43120003       0.76695988      -0.90205074      -1.82408463 
O       9.50351998       6.77235998       1.31367995      -0.26070756      -0.23908656      -1.84095152 
O       4.25902001       1.40787003       0.99271098      -0.16583495       1.82800144      -0.96064199 
O       1.26111004       6.59597000       6.27365001       0.88209577      -1.03980313      -0.18705110 
O       6.76901996       7.23562005       4.35344004      -6.35990274      -3.79846864      -2.09894621 
O       1.16740000       1.31687004       3.34145999       1.00757542       1.22915330       1.22878017 
O       9.19819001       0.74419904       9.11205998       0.96779568       0.72094128      -0.78708488 
O       6.41227003       0.95501799       6.16484005      -0.75014647       0.17844787      -0.07659282 
O       7.29868995       2.16214995       8.25175005      -2.79748995       1.86421141       1.61529822 
96
Lattice="10.54548677 0.0 0.0 0.0 10.54548677 0.0 0.0 0.0 10.54548677" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.011623953338365928 0.0028399100329700683 0.0003536792340141979 0.0028399100329700683 0.023869455809999548 0.0018309606456092412 0.0003536792340141979 0.0018309606456092412 0.016235495233360483" pbc="T T T" energy=-933.00981583 free_energy=-933.00981583 config_type=crystal 
Hf      10.51139996       0.28491997      10.08030004      -0.02863330      -3.68773490      -0.87585265 
Hf       5.31988002      10.54336966      10.44759998      -1.27652298      -0.51930537      -0.12158568 
Hf       0.35145998       8.04542003       7.57665005       0.57028118       0.06647695      -0.68603774 
Hf       7.71162996       2.78693003       4.92628998       1.12266940      -0.56866637       2.58980488 
Hf      10.46458253       5.37642999      10.45150001       1.52227057      -2.84582847      -2.85156136 
Hf      10.49474452       7.76453002       2.40403005      -0.73186212       3.20385034      -0.19696698 
Hf       2.22387000       5.30686995       2.40506003       3.12061528      -1.88961140       1.05834604 
Hf       7.55092001       5.07241003       2.48353005       1.29563689       1.45952176      -1.30464335 
Hf       8.39900999       7.74978005      10.23479996       0.25999832       5.22778083       1.02283497 
Hf       5.48101000       7.61207002       7.87645001       0.08259469       0.08801477       1.19974842 
Hf       5.20948997       7.60681003       2.49035002      -0.03585054      -2.17456968      -1.98696635 
Hf       5.45337998       4.76686004      10.23310003       1.02491320      -0.36272025      -1.05208904 
Hf       2.79624001       8.00552002       4.69944000      -0.39108680       0.86047071       1.54109792 
Hf      10.30960005       5.25840005       4.74949995       1.74376524      -3.32591268       0.32851092 
Hf       5.14037000       5.35251999       5.04295997      -1.06956018      -1.38377707       1.09735605 
Hf       2.87323999       5.63528003       7.80051997      -2.46443880      -4.16559582      -0.48501473 
Hf       2.65507000       8.09944002      10.35650005       0.18451613      -1.29360464      -0.15184007 
Hf       3.06225002      10.51121362       7.58121002      -1.63999301       0.06464942      -0.61127742 
Hf       5.31184004       2.53634005       2.51323995      -1.40581851       0.09357914      -0.49391455 
Hf       0.13933604       2.55392001       7.67855003      -1.67426546       1.88738496      -2.41735553 
Hf       0.24244496       0.33635695       4.87815004      -2.77998177      -1.09065685       1.06183852 
Hf       8.14341998       5.29591003       7.75892003       0.35658254      -1.87083068      -0.67821452 
Hf       7.82028000      10.29140002       7.53401000       3.54010361       1.57836224       0.34182625 
Hf       7.87941002       2.28623000      10.25910003      -0.10636049      -0.31713874      -2.40065516 
Hf       7.80833998       7.73726003       5.11889001       2.30250025      -2.58170692       0.89349777 
Hf       2.68706996       2.74397995       5.23916002      -2.74792954       1.96672804      -0.81451142 
Hf       5.54281003       2.45114001       7.57063996      -0.21692663       0.02721102       0.94420863 
Hf       5.77587004      10.27380002       4.77740996      -3.89709763       1.60151138      -0.24586381 
Hf       2.64311996       2.77354000      10.43160005       0.13957019      -1.61087667      -3.54986888 
Hf       2.63691004       0.04422819       2.26045999       2.20014459       0.73832872       1.36241090 
Hf      10.31459998       2.66119999       1.93078003       1.65514873      -0.39684433       3.60353582 
Hf       8.01449001      10.31950005       2.43207999       5.05740081       2.96388311      -4.85085454 
O       9.39443002       6.54320004       9.10100997      -0.09545852      -0.90296835      -1.45830031 
O       7.39969003       8.09292998       8.69880004      -3.48844611       3.25084128      -4.33705746 
O       8.60800002       3.98917004       6.27761997       0.24482053       0.45195149       0.21186514 
O       6.02426001       3.78686996       6.08459000      -0.10668664      -0.70932300       0.23895983 
O       1.55958997       9.55259998       5.69942000      -2.28876227      -2.21427398       1.00466224 
O       4.24226004       0.62029302       3.63209996       0.26276286       1.53257913      -0.95724291 
O       3.60379999       6.57343996       3.50892003       1.42424559      -2.54912805       2.13594047 
O       0.86444297       8.61485997       0.53444696       0.87164631       0.77339109       0.58634078 
O       9.43111998       3.96985999       8.70723000      -0.58289539       1.26253746       0.77520942 
O       9.08077001       3.85889996       3.85339996      -1.30618889       0.72000721      -2.25687959 
O       2.07382998       8.94056998       3.05832003      -0.04270293      -0.76373277       0.84274846 
O       3.71736001       4.34378998       0.29345295      -1.74666844       1.41840612       4.20703729 
O       6.70589001       3.49856995       1.00719997      -3.05846145      -0.36132116       0.60472236 
O       9.42942996       1.30591997       6.16010001       0.78244814       1.23194082      -0.70729301 
O       9.23060999       9.44521002       6.06962997      -1.54714543      -3.13432216       0.40325570 
O       1.44712003       3.91481002       8.52903995       1.84688068       2.29762090      -0.65606516 
O       3.52911000       7.46658997       1.47264000      -0.92804413      -2.57443090      -2.16463592 
O       4.20227999       2.06036002       6.28962000      -2.21072176      -2.07748082      -0.69836381 
O       9.12478002       6.64093002       3.77458995      -1.05391239       0.59373520      -2.03054642 
O       4.35459003       6.63156996       6.38101003       0.72764856       1.86456694       1.47663525 
O       1.74399003       9.07070002       8.68106000      -0.02524248       1.97390988      -2.33002195 
O       6.88098000       6.07403998       6.16711002       0.65934229       2.94604471       1.61155816 
O      10.19790004       9.47301003       3.16920002      -0.95604434       0.38119107       2.84740198 
O       1.63143995       1.37054999       6.65433998       1.11835183      -0.64153793       0.45277242 
O       9.19943996       9.15478003       1.00545005      -2.31766878       0.51866269      -0.36584005 
O       8.90417002       4.00563998       0.82945600       2.46224488      -0.23938467       1.38205002 
O       3.50441004       3.96975000       3.20420998       2.79012196      -3.27859057       1.40887069 
O       3.12175999       4.64104996       5.96665002       1.67066382      -1.72969525      -0.81684575 
O       6.40382003       6.12741997       9.04216995       0.19255911      -1.99935909      -0.15411016 
O       6.99727004       0.80727599       0.85902301      -1.01721036       0.15431739      -0.12354130 
O       9.39498998       1.12733004       3.28469999      -1.63042028       1.59582737      -0.56939487 
O       7.26349001       9.20045001       3.69234000      -1.80251171      -2.06540677       3.90579573 
O       0.89222000       3.79234001       3.17164995       0.03037779       2.15517097      -0.68532430 
O       9.35247005       1.21765003       0.66033803      -0.20855006       2.21056618       1.74806265 
O       6.81980004       1.45604003       3.23574995      -0.65421264      -0.98303228       2.24975036 
O       5.84686995       5.69087004       1.76483003      -1.03662366       0.24989611      -2.88977245 
O       0.74927402       6.19285999       1.52082001      -1.98372917      -0.56308409      -3.65169509 
O       1.19592000       3.88456999       0.74382496      -0.88015907      -0.23122101      -0.26334115 
O       4.09619998       3.79653004       8.75485004       2.21680226      -0.32517598      -1.96666227 
O       4.71039001       8.56122003       4.10186997       0.93151295       1.89736856       1.18806096 
O       1.48507999       1.14382002       1.20502001      -2.07311515       1.49923701      -2.98117107 
O       4.14232004       1.68088004       1.07053005       0.81966541       0.16956432       0.58968406 
O       0.83888398       1.91940999       9.39786995       0.78153125      -2.78092418       1.03317549 
O       9.35563001       9.51678002       8.80233995       2.49939995      -1.35340830       0.32156261 
O       0.87362999       3.52439005       5.63859996      -1.34681324       0.89506231       1.28456080 
O       6.05132005       8.92967997       1.30053998       1.32597221       1.34358783      -1.25151554 
O       4.64682003       9.15005998       8.87648000       0.22886514       0.12486248      -1.10087682 
O       6.78266000       3.38893000       8.76933996       1.23380638       2.58276994       2.31626788 
O       1.19218995       6.58783002       9.40225002       1.40078752       0.03863511      -1.27807469 
O       6.41603001       3.95795002       3.71858002      -0.75725998      -1.23282104      -0.34541339 
O       9.46907002       6.52919005       6.02602997      -0.19636918       1.52203871       3.96141450 
O       3.78902999       9.73719999       5.96308997       2.46440157       0.25189802       0.81822510 
O       1.30671004       6.51338004       3.69799998      -2.70213414       0.60522538       3.31306115 
O       3.72922000       1.05449996       9.23718004       0.07615470       0.23540048      -1.46072245 
O       3.89176001       6.66686001       9.11600997       1.08020844       0.84552091       0.10576681 
O       6.36773000       9.31330000       6.39694996       0.94776371      -3.45635242       0.62109007 
O       8.25880996       6.84601000       1.32518995       0.60463412      -3.60414506       1.92978766 
O       3.72774995       9.56554003       0.63651198      -1.92945706       3.09856298       1.02513883 
O       1.81000995       6.84917998       6.59585998      -2.09812733       2.01949596       0.41676569 
O       6.38576995       6.43313005       3.90826000       1.79269708       2.44853281      -0.73781379 
O       1.30475997       1.25941005       3.57569005       3.14116224       0.58297448       0.71470723 
O       8.88954997       1.32275004       8.66082005       1.57955410       0.67996516       0.71240938 
O       6.80814000       1.21552005       6.19943995      -0.44017833      -0.21749396      -0.65532408 
O       6.55883995       0.79489897       8.94026005      -1.40949598      -0.17762522      -0.82141476 
96
Lattice="10.54763039 0.0 0.0 0.0 10.54763039 0.0 0.0 0.0 10.54763039" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.002590863301904449 -0.0028174425724337726 0.0018467576929955415 -0.0028174425724337726 0.02215571297144221 -0.009681622287219934 0.0018467576929955415 -0.009681622287219934 0.02272345878559958" pbc="T T T" energy=-934.12351402 free_energy=-934.12351402 config_type=crystal 
Hf       0.08598027      10.44077941      10.12840005       1.71638852       2.83328510       2.01963093 
Hf       5.52871999      10.42424843      10.27950003      -4.20782282       3.61001292       0.19907154 
Hf      10.35139995       7.87421998       7.46986000      -0.82048145      -0.17836919      -0.98143961 
Hf       7.46549002       2.68681002       5.02706003       2.00920084      -3.02284249      -1.72863022 
Hf       0.26556296       5.41097004       9.97598004      -1.75861965      -1.51394971      -1.66432623 
Hf      10.48260003       7.91916005       2.26755004       1.06148649       2.65646841       2.98754568 
Hf       2.17697005       5.31425998       2.37680999       0.27229823      -0.74485261       3.10007458 
Hf       8.40509002       5.22580998       2.61245998      -1.29203359      -0.95403710       0.58618786 
Hf       7.97109005       7.47665004      10.31290005      -0.27201297       2.95735797       0.50253127 
Hf       5.33905999       7.88758003       7.91603996      -0.49784731       0.65961990      -1.73711800 
Hf       4.95710002       7.73299997       2.13149004       5.21384108       0.65575061       2.52185316 
Hf       5.40611001       5.23559006      10.44170001      -1.03642881      -1.48779569       0.40137958 
Hf       2.79003999       7.93859997       4.74931001      -0.02851644      -1.38859259      -0.09628226 
Hf      10.40119996       5.31462999       5.27533996       1.81741083      -0.75098504       1.29260571 
Hf       5.16887998       5.39159995       4.78278999       0.46190074       0.88573694       1.44340641 
Hf       2.80642004       5.39060995       7.53978004      -0.71652235      -1.06324127      -2.67839181 
Hf       2.58846001       7.90633002      10.15159999       0.31330345       2.67089634      -2.14445136 
Hf       2.39797002       0.25260098       7.43680004       3.30201005      -0.02814601       1.97803567 
Hf       5.78842005       2.86725002       2.26244003      -2.66895726      -2.65411707       0.34697139 
Hf      10.29879998       2.37237999       7.57647999       0.21536942       2.44627969      -0.64873623 
Hf       0.31245899      10.43140004       4.91679004       0.26613895       2.11293544      -0.52554322 
Hf       7.61095998       4.97345001       7.56031005       2.12539608       1.57889764       1.16875637 
Hf       7.91820001      10.38010006       8.00209997       0.10346837       1.60984351      -0.34127675 
Hf       8.14864000       2.64223995      10.45390003       0.24485036      -0.29993098      -2.46805502 
Hf       7.72479001       7.63010003       5.13819999      -3.07169999       2.47062304      -1.08341917 
Hf       3.00771999       2.44647003       4.81125002      -1.40081587       2.23731272       3.52005459 
Hf       5.05436995       2.82694004       7.85928000       0.35843360      -4.26579925       0.18608341 
Hf       5.55979004       0.04657201       5.09478003      -0.86242270      -0.85180396      -0.82828294 
Hf       2.58306996       3.03105999      10.33710000       3.28654424      -4.80541965       1.17816527 
Hf       3.26031000      10.41680001       2.13059001      -1.72733395       1.98704230      -1.21794007 
Hf       0.15254405       2.57832005       2.31813004      -3.18212759      -2.89605997       2.50507258 
Hf       7.90538000       0.00780314       2.45170998       0.49904121       1.46930521       2.76992081 
O       8.89390001       6.61348998       8.75743002       2.64432280       0.65992956       1.12041432 
O       6.55746002       9.16948998       9.26394000       3.49508940      -4.02068846      -1.46258006 
O       8.71939000       3.70368998       6.10913995       3.22654364       1.09495146       2.03536592 
O       6.33056003       3.81419001       6.80790000       0.23136336      -1.12083329      -1.40048748 
O       2.33161002       9.46977004       5.72169005      -1.60471320       2.16621084       1.38890797 
O       3.51656995       1.01094998       3.84155004       0.96972955      -2.58048364      -1.41989000 
O       3.90147999       6.08641002       3.08792997      -0.45347247       0.49399144       1.75805522 
O       0.87169098       8.85854003       0.57111495      -0.31373586      -0.25622677      -0.41327803 
O       9.08764996       3.99330998       8.74618003       1.22901239      -0.12998874       0.69366848 
O       9.95846001       4.32943005       3.55577001      -0.36554459      -0.60903364      -1.22993270 
O       1.92662004       8.69718998       2.97368996      -0.21693744      -0.27410808       0.25437340 
O       4.09461997       3.97792004       1.20538004      -2.19479374      -0.70430224      -1.40425920 
O       6.29697004       4.88523996       1.81842002       1.57995915      -2.25721320      -0.58696988 
O       9.84606003       0.95643898       6.33128001      -1.98367248      -0.28211901       1.37523643 
O      10.05309999       8.94314996       5.89304000       1.65256550      -0.28293792       0.44609484 
O       1.40867000       4.00518998       9.11134996       0.36854799       0.56880897       1.21307118 
O       3.86661005       6.98793002       0.80651696      -1.65898855      -1.66200493      -2.09651157 
O       4.28057996       1.47032997       6.33254003      -1.12368818      -0.33844203       1.11480318 
O       8.83418998       7.05934001       3.41755998      -1.03319208       0.34921702       3.25556874 
O       3.92248000       6.63597004       5.89328997      -1.76599125      -0.90867723      -0.51465797 
O       1.52444997       9.39345003       8.61809003      -1.21718304      -1.24043222      -0.29378085 
O       6.38626998       6.38468003       6.58966995       1.04195585       0.25228034      -2.28945601 
O       9.93265998       9.68804999       3.31737004      -0.68136399      -0.87795661      -1.46543131 
O       1.60085004       1.47327002       6.06172002       1.25202258      -0.25632283       2.37046422 
O       9.19708996       6.65250999       1.38863003       0.00133994      -0.33112454      -6.71959379 
O       9.52628003       1.46902998       1.00364996       2.50357259      -1.29714407      -0.23283708 
O       5.03941995       3.43047998       4.19181005      -0.49730361      -0.89855892      -1.38962500 
O       3.97070999       4.24504996       6.48742998      -0.34423460      -2.22324280      -1.85248736 
O       6.46736005       6.01329996       9.00534997       1.32358638       1.84439936      -1.38321514 
O       7.13143000       1.53200998       1.24122996      -1.54032914       1.92278829      -1.15440328 
O       8.74015005       1.72229999       3.65684996       0.91147873       0.90879710      -0.67016455 
O       7.09458998       9.47148003       4.53655998       1.36226726      -0.32533909      -1.64295569 
O       2.03512003       3.99934997       4.02141002       0.40299405       1.91820880      -2.54116935 
O       8.46799999       9.46497003       0.96162999       1.98120199      -3.21907602      -2.26483285 
O       6.57037000       1.15740003       3.56542995      -4.34464472       1.64317755       0.35471583 
O       6.29608995       6.93790999       0.54542904       0.39774976       1.78396217       2.14687823 
O       1.42703005       6.40561000       0.75874295      -0.72538907      -0.12669621      -0.35312982 
O       1.18100003       3.84974998       1.20698001       1.83407072       1.55484027      -1.54246344 
O       4.21629005       4.21224999       8.85131005      -3.81754532       1.15852702       3.00161716 
O       4.36483001       9.17952003       3.34435004      -0.41381879      -1.27738630       1.59454885 
O       1.87667005       1.12961999       1.13689997      -1.49321868       1.61287233      -0.37028550 
O       4.55037000       1.14844003       1.51481998       1.60344302       2.57826486      -0.44560840 
O       1.09483001       1.34872001       8.79607000      -0.21026096      -0.01988721      -0.13669450 
O       9.48564001       9.42327999       9.06450002      -1.70879789      -2.42712900      -2.39118442 
O       0.94923400       4.25041005       6.75093995      -1.27746289      -0.23498270      -1.09899603 
O       6.06833001       9.68390002       1.50944997      -0.01492102      -2.09891090       0.29965267 
O       4.16494998       9.34783005       8.60805997       0.17448787      -0.68088757      -1.80515523 
O       6.43663997       3.62505001       9.56925002       0.74376521      -0.60105973       1.31335843 
O       1.30949000       6.42985004       8.49911001      -3.01093651       2.15663524       2.97297166 
O       7.35992996       4.41530000       4.21583998      -1.38822696       3.36262298      -2.10708680 
O       9.04299003       6.70551996       6.19619999       2.68607626      -4.38559160       1.38738384 
O       5.02007001       8.74669001       6.11028005       0.82718605       2.06068964       0.08609306 
O       0.66789600       6.47614001       3.64839002       2.68813632      -0.10769454      -2.86238533 
O       3.89359996       1.38588997       9.39180998      -1.07545997       2.67413270      -1.11219307 
O       3.83869005       6.61034004       8.68673000       0.43193121       2.25046811       1.42127007 
O       8.00688997       8.80834998       6.90178003      -1.81409193      -0.71850044       0.64651682 
O       9.09592996       3.94610005       1.02931002       0.02841099       1.75423813       0.77091137 
O       3.63079003       9.61576001       0.15861200      -1.08476384      -1.74888082       3.77997133 
O       1.14059997       6.78438005       5.95444999       1.04025649       1.06759651       1.30663409 
O       6.20649996       6.91795999       3.82841001      -0.74580649      -0.24031015      -0.39034501 
O       0.69426296       1.69621001       3.97746997       1.37068165      -0.37310018      -2.07301798 
O       8.94255001       1.44770003       9.02966004       2.16646994      -0.69987512      -1.25590855 
O       6.79303997       1.22747004       6.08637996       0.11506334      -2.33494556       2.84427919 
O       6.55764998       1.05490997       8.76124995      -1.88823244       0.39905851       0.85669283 
96
Lattice="10.5497431 0.0 0.0 0.0 10.5497431 0.0 0.0 0.0 10.5497431" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.026862562361264487 0.004136587386158919 0.005292566406171841 0.004136587386158919 0.03785254155045526 -0.0027711247326671767 0.005292566406171841 -0.0027711247326671767 0.036765383650766106" pbc="T T T" energy=-932.70687986 free_energy=-932.70687986 config_type=crystal 
Hf       0.11563500      10.40769999      10.17700000      -0.47575149       0.53876001       0.36530922 
Hf       5.23746997       0.11725691      10.34760000      -0.63866711      -1.67936591      -0.01107217 
Hf       0.28901601       7.84129004       7.65277995       0.22436446       1.68870676       1.32938416 
Hf       7.97850000       2.62050998       5.05083003       1.84162069      -4.41804927       0.03143834 
Hf       0.12647000       5.19933001      10.19730003      -0.28593973      -2.29801570       1.21267927 
Hf       0.07783748       7.78515001       2.72019999      -3.96968789       0.68458318      -2.61645279 
Hf       2.45613000       5.21459000       2.15642003       1.14119318       0.69383333       1.60278403 
Hf       7.77721997       5.41385998       2.27123003       1.49462077       0.35825899      -0.75951729 
Hf       7.37220004       7.80480998      10.45499997       3.47830624      -3.74974064       1.92995771 
Hf       5.06354996       7.63542003       7.46762996       1.01571760       1.44810450      -0.87554197 
Hf       5.12183001       8.09797996       2.44251999       0.09852822      -3.17915798      -0.52957910 
Hf       5.09036002       5.26590005       9.96332002       1.43124215      -0.19203909       3.72017784 
Hf       2.28601001       8.07753002       4.97355000       1.07291655      -1.44099885       0.67674100 
Hf      10.39479997       4.98751997       4.85617999      -0.26676070       0.79664447       0.21966674 
Hf       5.30793001       5.37028997       4.65554002      -0.81931152       0.11420424       0.82803457 
Hf       2.78051002       5.32968000       7.47675000      -0.89032480      -0.26212921      -1.78225041 
Hf       2.68940001       7.61796000      10.40440003      -1.09764500       2.78246154       2.30231575 
Hf       2.98536999       0.04225689       7.81575998       0.90628780      -0.64042046       0.98573955 
Hf       5.88956995       2.79014995       1.88448995      -3.25442505       1.13300285       2.52094007 
Hf       0.56766501       2.64798003       7.32910001      -0.83568973      -0.91307561       0.93779626 
Hf      10.41209997      10.46866832       5.12971996      -2.51623013       1.08159664      -0.88203004 
Hf       8.24265998       5.47916996       8.00435995      -0.12221734       0.97344289      -0.29293496 
Hf       7.88669002      10.30410003       7.95306003       0.28603260       1.71396619      -0.95848245 
Hf       7.99306002       2.48213997       9.96337002       2.09965198       0.42648404       2.39022795 
Hf       7.74786004       7.98425995       5.13849998       1.27300625      -1.24733782      -0.58785805 
Hf       2.97132997       2.84675998       4.75595996       0.48336610      -2.37591699      -1.08506390 
Hf       5.50153995       2.83118001       7.73070004      -1.49981429      -2.10919867      -4.21632071 
Hf       5.38711997      10.50280001       4.89496000       1.17006947       3.11616789       0.72252765 
Hf       2.89133001       2.64841004      10.19480005      -4.03421948       1.05006758       2.12403013 
Hf       2.38759001       0.20204098       2.54330000       0.17058192       0.21990197      -1.26633938 
Hf      10.33099998       2.69971998       2.51413998      -0.61041046      -2.51527346      -1.72892707 
Hf       8.06840997      10.27359999       2.39262002       2.74157080       2.57959846       0.90557969 
O       9.09679999       6.51949996       9.78886999      -1.05427063      -0.47148502      -2.37444581 
O       7.13063002       9.47716000       9.57312996      -0.39043476       1.35609666       0.57221023 
O       9.27420995       3.90213001       6.37012995       0.16047486       2.68687434      -0.89796015 
O       6.42320001       3.33052003       5.84667997      -0.91639971       0.35462508       2.70840961 
O       0.99436604       9.30900997       6.25712005       0.54333825      -2.04294123       1.06925178 
O       3.91133002       1.09693001       3.92733999       2.11913654       0.36783219       1.09440770 
O       3.56854998       6.41070004       3.49092001       2.74217596       1.89965371       0.46354272 
O       2.10244997       9.09862003       1.36993995       0.92797041      -0.83621151       0.68427428 
O       9.51088004       4.03302996       8.67953001      -1.23488996       0.20311982       1.78215795 
O       8.81493997       3.86134998       3.68154005       2.60918111       0.55324336      -0.91219775 
O       1.00873004       9.37322003       3.72993995       2.38630583      -0.87008957       0.70528470 
O       4.17083999       3.66991001       0.86635398       2.70620907       0.20363880      -1.85196930 
O       6.95672003       3.93510998       0.73022505      -0.45310674      -2.48249151       0.24248793 
O       9.88645005       1.73245001       5.86471001       1.43759480      -0.18079763       2.35731373 
O       8.95576005       9.74998997       6.51119004       4.40327317      -3.13726650      -3.31612375 
O       1.40189997       3.76577004       9.00979995       0.08898214       0.06435640      -2.21631741 
O       3.69656004       6.12439004       0.73017399       0.61569356      -0.29229474      -0.13885074 
O       5.06211003       0.81545801       6.96349002      -2.30852263       0.73105773      -1.26898703 
O       9.30420002       6.52125998       4.28061998      -1.74077844      -0.76299842       0.50564606 
O       3.93738999       6.50814000       6.08818005       0.55417864       0.62084126       0.98533484 
O       1.67843005       9.23226998       9.47817004       0.79730871      -1.12437914      -2.42176943 
O       6.51043003       6.11511998       6.28632005       0.45688107       0.29540599      -0.59063343 
O       9.12419999       8.85805002       3.92395996      -0.83459040       2.69647920       0.55324958 
O       2.34761998       1.16065003       6.44213005      -1.33133553       2.79336109       0.36756046 
O       8.63537997       7.12705998       1.85310004       1.91214157       0.05187050      -0.44190063 
O       9.06620995       1.42974001       0.99066698      -2.22977593       1.54200739       0.31637217 
O       3.53639004       3.86873997       3.18263004       1.56230843      -1.10533682       2.04106038 
O       4.18423004       4.06899002       6.05703003      -1.17040643      -0.97030714       0.83093345 
O       6.44979000       6.75474995       8.94555001      -0.48553438      -0.49123879      -0.74779901 
O       6.55863002       1.17554996       1.08786999      -0.02385999      -1.67537424      -2.10389748 
O       9.38427004       1.26976001       3.59629000       1.19230660      -0.50118664      -1.02668281 
O       6.38431999       9.13327003       3.50701998       2.59568469       3.15550747       5.48783021 
O       1.07832005       4.24594002       3.45789003      -2.56082133      -2.16608628      -0.89259602 
O      10.04020000       9.39743000       1.58883003      -1.90829849       1.19265525      -1.82728352 
O       6.95652001       1.40537000       3.61039005      -1.97948236      -0.36102033      -0.44541730 
O       6.44117002       6.17345003       1.00409005      -2.28313210       1.77114121      -2.21239446 
O       1.25945998       6.60742996       1.10899997      -1.67869867       0.62138945      -0.60143228 
O       1.59484001       3.98715999       0.92179003      -1.81329161      -1.52776042      -1.28837177 
O       3.82780000       3.93984998       8.76975004       2.16952133      -0.56739022      -0.56048273 
O       4.10273000       9.25599002       3.67524998      -3.09541990      -0.58286436       0.97933370 
O       0.77172004       1.11932996       0.94981795       3.30329147       1.69680935       3.93729207 
O       3.62171995       1.22048005       1.13678999       0.61593822      -1.49778613       0.85378679 
O       1.28764003       1.28589996       9.07042004       0.53321107      -0.54180656      -2.61234116 
O       9.66530001       9.01098004       8.73477996      -0.36227353       1.62005215       1.80677055 
O       1.60054003       3.81620995       5.78787000      -2.45239583       0.96135105       4.20059832 
O       7.05527004       8.93168005       1.49940998      -1.82737647       0.03341108      -2.13651161 
O       4.87085004       9.40775999       8.93439998      -2.29295226      -1.15563951      -3.33316769 
O       6.52736005       4.14342004       8.84507004       1.30131353       0.00313957      -0.97106370 
O       1.27351002       6.19492003       8.87319998       0.96478059       3.06245723      -0.56508208 
O       6.37094998       4.22429996       3.29251005      -1.13894698      -0.64522561       0.62958851 
O       9.24216996       7.03417002       6.97550997      -2.00443164      -2.29680742      -0.57605560 
O       3.36594997       8.94286995       6.57436000       1.94734800      -0.25855862       0.33627867 
O       1.10362002       6.58119001       3.94784996       1.60228241       1.33424959       0.38217464 
O       3.85949998       1.23342997       9.31587004       2.16429413      -0.50401195      -2.05655424 
O       3.91978005       6.45900995       8.83501001      -0.86974238       1.28031762      -1.37768456 
O       6.59911001       8.68569000       6.66563005      -0.95822523       0.16384692      -0.26390193 
O       9.21460000       4.61663995       0.94082303       2.02613005      -1.64511614       1.47764135 
O       4.56392004       8.55934997       0.54248098       0.27583912       0.71702800       0.99314077 
O       1.50625002       6.65861995       6.44516995      -0.05208894      -0.19290475      -0.57943038 
O       6.43456999       6.73544002       3.48458004      -0.23472560       0.02982594       2.25502821 
O       1.54485005       1.36225003       4.12951000      -1.69794851       0.65425092      -2.34653799 
O       9.19129003       1.23535002       9.07369995       0.50956079      -1.85380675      -1.82415279 
O       7.34887002       0.47534895       6.05941997      -2.61639054       3.05789561      -1.85703874 
O       6.67765000       1.47360995       8.80762003      -0.83609028       0.58632617       0.80511426 
96
Lattice="10.55181272 0.0 0.0 0.0 10.55181272 0.0 0.0 0.0 10.55181272" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.006886993229554434 0.013419452537801007 0.002683347943158303 0.013419452537801007 0.021468575488777973 0.006622250938040901 0.002683347943158303 0.006622250938040901 -0.010573340804050261" pbc="T T T" energy=-933.77077827 free_energy=-933.77077827 config_type=crystal 
Hf      10.24860005       0.54486796      10.16109999       0.44499385      -1.11439892      -1.07016986 
Hf       5.11973995      10.36399995      10.05060003       1.50077096       1.65959169      -1.11159143 
Hf       0.06162100       8.30024001       8.30147996      -1.07224390      -2.61022620      -2.09455063 
Hf       7.91630999       2.19284005       5.29974997      -0.80856249       5.48534388      -5.90095543 
Hf      10.00550000       5.43835996      10.03179997       1.75535266      -1.79481856      -0.04003122 
Hf      10.51145953       8.12050001       2.49611002      -2.34025484      -0.25612136       0.34378461 
Hf       2.51202004       5.28388997       1.90646997       0.15005531      -1.39933201       1.31718116 
Hf       7.90170997       5.39473001       2.24660998       2.34808437      -1.77107923      -1.15652030 
Hf       8.01613003       8.10873000       0.00524847       0.01124676       0.32733609       1.25752094 
Hf       5.46151000       7.83606999       7.63381000       0.05052492      -1.20611128      -0.64752610 
Hf       5.33924995       8.09830997       2.58660996       0.92978281      -0.45331097       0.11124809 
Hf       5.56082999       5.11773996      10.21619997       0.36507885       1.23943846       2.31028355 
Hf       2.61083998       7.77959004       4.59084005      -0.55483575      -3.21423727       3.88527907 
Hf      10.22129998       5.22054997       4.70584004       2.23204889      -3.66420322      -0.85385879 
Hf       5.35196003       5.39965000       4.78496998      -0.17749698      -1.68785471      -0.84665562 
Hf       2.77314997       5.27136001       7.75483000      -1.62844481       1.23921452      -3.27618199 
Hf       2.94464995       7.62045003      10.32830000       0.33939341      -0.67894949       0.32965888 
Hf       2.93118004       0.01411326       7.44297002      -2.43709854      -0.71780042       1.19536625 
Hf       5.06710002       2.80124997       2.65055004       2.38731472       1.75991053      -1.01238133 
Hf       0.35209405       2.74146003       7.61518003      -1.40670860       2.16615587      -1.36765766 
Hf       0.29113496      10.30379996       5.16280000      -3.54237524       4.27858782      -0.61687186 
Hf       7.88537999       5.32930001       7.35568996       1.16715891      -0.02678415      -4.16996387 
Hf       7.67032001      10.53898488       7.62490997       3.53483793      -1.49159502       1.01217385 
Hf       7.47400997       2.42732000      10.43220001       2.11735253       2.77041643       0.24955487 
Hf       8.32063002       8.03597999       5.44662002       0.84207771      -3.25715736      -4.97108536 
Hf       2.63683005       2.32961001       5.07265998      -1.12440781       3.01749211      -0.52511119 
Hf       5.40088003       2.63797998       7.40247005      -1.53195659      -0.09321853       0.98279981 
Hf       5.37022996       0.18025102       4.81318996       0.13942441      -3.96931971       0.49097347 
Hf       2.52449998       2.55907004      10.24990003       0.43264372       0.72194970       1.51301919 
Hf       2.91803005       0.05379304       2.20724000       0.55637537      -1.97015734      -0.05518935 
Hf       0.34617796       2.03931001       2.50126004      -0.23412250       5.12423833       2.20732499 
Hf       8.02266002       0.21349303       2.34327999      -0.27124570      -1.78879783       1.47346594 
O       9.05153995       6.98069004       9.07128999       1.43824176       0.93195311       0.14466700 
O       6.52987998       8.70879998       9.40745998      -3.10598421       1.97682231      -1.44530910 
O       9.39206995       3.73551000       6.03916002       0.83759905      -0.09206525      -1.47855814 
O       6.87740995       3.60047002       6.46438003       0.31784560       0.59056875       1.61837820 
O       2.39021002       9.19356999       6.28852004      -0.87075275      -1.97239688      -1.41246670 
O       4.17416996       1.12647998       3.71605995      -2.40256041       4.04881113      -5.31807488 
O       4.12812998       6.50786004       3.72119995      -2.47302739       4.25601337       2.43977082 
O       1.54842998       8.88028002       1.76736004       2.29501889       0.82186314      -1.41079180 
O       9.05463005       4.41828995       8.42989003       2.32475158      -0.98276279       2.70050801 
O       9.47253997       4.08303997       2.94261999      -1.34494589       0.66913131       1.59269074 
O       1.11515999       9.03449001       4.23170995       1.46543326      -4.96016424      -4.53609417 
O       3.93668000       3.48011003       0.99059405      -1.21860617       1.01551461      -2.48173317 
O       6.42776999       4.05423004       1.39081998       0.34170234      -1.59086219      -0.70443277 
O       8.95655000       1.28073999       6.42763999       3.10296410      -4.94443965       3.46330238 
O      10.19680004       9.03955995       6.42146000      -1.35879379      -1.15321258       2.41904051 
O       1.02810996       4.14963003       9.03795998       1.19885347      -1.31361094      -0.44098615 
O       4.06912002       6.65313001       1.33186996      -2.29991890       0.61525839      -0.15735914 
O       3.78980003       0.90345401       5.97209998       0.37577640      -0.15669817       2.26407335 
O       8.81870998       6.36060000       3.93191997      -0.59852628       1.82685687      -2.23478511 
O       4.33698000       6.29855998       6.96156002      -0.94186498      -0.46876708      -1.14018062 
O       0.89216505       9.62839003       9.37959000       1.25385727      -0.92477070       0.33537057 
O       6.58331996       6.65191001       5.76490997       1.32722678       0.28990430      -0.40807919 
O       9.15529001       9.34807005       3.92906001       0.16620822      -3.78359672       0.18531106 
O       1.23228005       1.22483996       6.07794996       0.22951650       0.95888021       2.67961554 
O       9.40792996       6.81418001       1.17747003      -0.09593683      -0.43296385       0.58172233 
O       9.39798002       1.81544001       1.16579002      -2.05122438      -2.67825877      -2.00233210 
O       4.04356005       4.39329999       3.22289999      -1.59661018      -2.40508368       0.52138178 
O       4.45732997       3.20789003       5.78902001      -0.26349225       0.86719431      -0.91989825 
O       6.45911995       6.14523001       8.26083997      -0.87284930      -0.49216793       2.84726545 
O       6.37321997       1.16711005       0.86634202       1.61762645      -0.37858003       0.07395986 
O       9.47079998       0.88176898       3.65250997       2.31163809       3.55835521       0.32698481 
O       6.49570003       9.59869998       3.81454002       0.37809560      -4.62865364       0.03068389 
O       1.00148996       3.35601005       4.04068004       1.25422902      -0.82096983      -0.39835313 
O       9.30376003       9.33390002       1.07976995       3.12366683       1.78571445       1.31631642 
O       6.90128997       1.21443999       3.59068004      -0.55156275       3.05013861       0.76405507 
O       6.75818998       6.49121002       0.40424702       1.21319215       0.18679966       0.81960397 
O       1.53765004       6.15687995       0.22791303       0.83642503       1.04529231       1.23035243 
O       1.23852999       3.61281004       1.19925002       1.74376995      -0.16709426      -0.35370014 
O       4.03593995       3.70201000       8.34725995      -1.00309472       0.30535548       1.72722503 
O       3.84840005       9.17714999       3.74790997       0.29878910       0.20279947      -1.89061138 
O       1.65855999       1.09275005       0.83036203      -3.17815862      -0.47877489       1.17222219 
O       3.95159003       0.94794098       0.73701901      -0.63358399       1.05052724       0.54971152 
O       1.33988997       1.41411996       8.79579999       1.05487616       0.59304017       0.19029807 
O       8.80182001       9.72712999       9.35206001       0.98640247       1.35009603      -1.75391363 
O       1.98186004       3.68416003       6.46783997      -0.79711866      -0.69413716       1.99360406 
O       7.07513995       9.15540999       1.73920000      -1.41351575      -2.83064506      -2.76641458 
O       3.76113002       8.84462998       8.56211997       0.65298649       0.39059143       2.10466206 
O       6.39433003       3.64344998       9.36544002       1.05916103      -2.39972152      -2.37134077 
O       1.39504999       6.79010003       8.24313002      -0.56577762       2.14007818       2.40710512 
O       6.34658001       3.61446003       3.96591000       0.37204078       1.49466376       0.40358022 
O       9.37197001       6.35491004       6.12706000      -0.87821811       1.42301950       2.74052180 
O       5.26208000       9.11123999       6.15021996       0.19475507       0.57600090       1.21018718 
O       1.18962002       6.31427997       3.25925003       0.25131581       1.18807648      -0.67071724 
O       4.04878003       0.97285402       8.76855996       0.70105148       1.10368757       0.50542179 
O       4.11597999       6.24066999       9.60008005      -2.68195732       0.75510597      -2.82938819 
O       7.85501999       8.40621999       7.17854001      -2.15948528       3.22237618       2.75820709 
O       8.93348004       4.27159000       0.53215598      -1.76751132      -0.18034610      -0.76913295 
O       4.57096001       9.21045996       0.90141699      -2.48203371      -2.98701268       2.14105727 
O       1.85209004       6.21826997       6.00057004       0.66186416       0.58793406      -2.36496972 
O       6.28173005       6.30598002       3.02533998       1.03097276       0.69171759       0.55490627 
O       1.69784998       0.91257795       3.60236997      -0.04124878      -0.24152148      -1.14081830 
O       9.40285000       1.73281003       8.76533997      -1.14715632      -0.46356845       2.26323104 
O       6.62984005       0.84299603       6.11192005      -0.18513920       1.81971308       2.36081109 
O       6.53025004       1.06708002       8.74175002       0.38803786       0.60878953       0.99930265 
96
Lattice="10.55384801 0.0 0.0 0.0 10.55384801 0.0 0.0 0.0 10.55384801" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.012269739356316539 0.010095764961245902 0.008862463386159031 0.010095764961245902 0.006944618830128919 -0.014789569303644156 0.008862463386159031 -0.014789569303644156 0.004339966929818279" pbc="T T T" energy=-933.0966496 free_energy=-933.0966496 config_type=crystal 
Hf      10.36490004       0.20154103      10.47849997      -0.01610761      -0.50679530      -1.89309124 
Hf       5.64918999       0.27330498      10.43200004       0.11415147       2.29223430      -1.61827982 
Hf      10.15819997       7.82282000       7.64582004       2.91111847       3.65141788       1.29430294 
Hf       8.04980003       2.43708002       4.98359996       1.73329097       1.34428768       1.76714784 
Hf      10.43019997       5.17989003      10.15709995       3.27844688      -2.39573950      -1.52179914 
Hf       0.25515996       7.65862999       2.30219002       0.27168126       1.66058948      -0.65575380 
Hf       2.73206999       5.26494001       1.92323997      -1.24231445       3.62133599       5.05517615 
Hf       7.84543996       5.28830000       2.87747004       1.95578900      -1.14216181      -3.56834456 
Hf       8.18635996       7.67169998      10.44189997       0.92888609       2.75684394       2.39702180 
Hf       5.44193996       8.20014001       7.84587003       0.30361779       0.13270563      -0.70539412 
Hf       5.36864000       7.99841999       2.08859998       4.46370560      -3.81759793       4.65304957 
Hf       5.17411000       5.36015999      10.27410001       0.35750311      -2.23310797      -3.11594906 
Hf       2.82844995       7.98117004       4.94398999       0.40981684      -5.67395034       0.15602981 
Hf       0.20818605       5.29465996       4.76258001       0.70294602      -0.63198772       1.44172905 
Hf       5.22932995       5.35998004       4.68234005      -1.29401901      -3.33402569       4.08903714 
Hf       2.68444997       5.31092998       7.32926001      -0.39991344      -1.98258622       0.32447867 
Hf       2.20669996       7.79934001       9.86145004      -0.89131246       0.72121570       0.54245777 
Hf       2.94377997      10.14580005       7.48979998      -3.05769122       3.76090996       0.58249721 
Hf       5.37427998       2.63326001       2.50476997      -0.33975993       1.62696781       0.00168643 
Hf      10.22949998       2.79912999       7.73043003       3.66065778      -1.95739581      -0.70414038 
Hf       0.33333105      10.43891397       4.81609002      -0.63984873       0.39717108       0.32977960 
Hf       7.69477998       5.51456996       7.96431998      -2.35467675      -2.10694262      -4.67928502 
Hf       8.00202001       0.06419874       7.15814995       2.38576756       1.10692193       3.78521717 
Hf       8.01530995       2.84667000      10.46017649      -0.57254961      -0.77013531       0.89175140 
Hf       7.85665996       7.95825996       5.14899997       1.56377911       2.13197927      -1.18648866 
Hf       2.37246999       2.55976998       5.10509997       1.98593680      -0.50159320       2.50081739 
Hf       5.34134005       2.43866996       7.78918995      -2.22793656       1.45226427      -1.99268155 
Hf       5.13849995       0.00745197       4.58897997      -0.08393620      -0.55279446       4.17664117 
Hf       2.71542995       2.79168002      10.24679995      -2.47643604      -2.67588787      -1.44182425 
Hf       2.89656997      10.15830002       2.26721995      -5.25694448       4.58419249      -1.65251170 
Hf       0.04434621       2.75375002       2.32483995      -3.58275431       3.58129370       1.43833367 
Hf       7.97216001       0.08425274       2.55070000       0.69943021      -1.72435678       1.32079224 
O       8.98759997       6.73132004       8.83987998       0.18820786      -2.28361208       1.74300660 
O       6.30648998       9.68198998       8.75315996       0.79589053       0.87008947      -0.34062829 
O       9.08656003       4.29028000       7.14027004      -0.15282053      -0.36898534       0.38040608 
O       6.28249000       4.65291001       6.72177999      -0.01704125       0.53679223      -0.15079432 
O       1.89619003       9.21290004       5.88877005      -2.84805737       2.18419351       1.28564034 
O       4.58816996       0.68192201       2.89798999       0.02526935       1.50712263      -1.34138408 
O       4.11683005       6.65034997       6.30982003      -0.04754905       0.53149260      -0.61767903 
O       1.50270004       9.19390997       0.66318302      -0.47139881       2.63758092       0.44699840 
O       9.89394998       3.29586995       9.62528996      -3.45878832       0.93046403       0.29782143 
O       9.21666998       3.84028999       4.12483999       0.30233327       2.94122378      -0.15236926 
O       1.57029997       6.63718995       3.91177004      -1.52564172      -0.43245599      -2.65588311 
O       3.53246000       3.91657996       1.03182998       3.57734002      -2.02247971      -1.47732114 
O       6.28969005       4.10383995       1.36559997      -0.75727880       0.37362555       0.35434418 
O       9.31041000       1.38113998       6.18828002       0.31358947       1.69533449       0.56228875 
O       9.94878999       9.76472001       6.63653002      -1.67615323      -2.47447357       0.22657174 
O       1.39226004       3.84288001       9.00046997       1.74146387       0.96528415      -1.33355289 
O       4.72372000       6.29010998       1.22810000      -2.53715570       1.65805971       1.91184655 
O       4.06490997       1.55749003       5.86456997       2.73473100      -1.98351356      -1.41305253 
O       9.33166998       6.68051001       3.36459999       0.33788352      -1.56847156       1.45007420 
O       1.37649998       6.23283003       6.11191997       1.59318035       0.45980536       2.69216079 
O       1.41131997       8.99537003       8.44152003      -0.10963255       0.57138639      -0.97301706 
O       7.20218999       7.29332996       7.04354001      -0.78746909       1.77622105      -1.71097244 
O       8.84631002       9.48208997       4.08510001       2.60597037       0.45965109      -0.30743636 
O       1.77849003       1.41170002       6.84675001      -0.99000345      -1.56320453      -0.45818679 
O       9.89680997       6.41179005       0.89054098      -2.14991245       1.91326259      -0.09550831 
O       9.30599996       1.76204999       1.12150002      -0.42326347      -5.56847238      -1.03604422 
O       3.92281000       3.62484997       3.59820002       1.34099042       0.39960826      -0.11856502 
O       3.69455001       3.80672000       6.26886002      -0.48303189       3.17020151       1.07517206 
O       6.11884003       7.14971995       9.38261995       1.21634727      -2.16326321       1.45703668 
O       6.68851004       1.65353005       1.20846995       0.12304361      -1.68964269       1.62155620 
O       9.75465998       1.43326997       3.71724004      -1.36105907      -1.57396454      -0.26635275 
O       6.61837001       9.18190001       3.61342996      -2.54903721      -0.67156481      -3.11067070 
O       2.02402995       0.79226597       4.02580997       0.04189610       1.03862374       1.04234911 
O       9.48982003       8.77602002       1.24748995      -0.42967283       1.88947103       0.40679220 
O       6.71155996       1.22650004       4.31507004       0.60016091       0.92617570      -4.21774784 
O       7.13681999       6.88062005       1.53998004       0.22614119       0.23133477      -0.40016876 
O       1.85677996       6.98003001       1.26309002       1.10943054      -2.01569695      -0.33870145 
O       1.08193005       4.40861999       1.09355005      -0.31449883       0.11384184      -0.29942537 
O       4.24969001       3.72309996       9.17030999       0.48228983      -0.77950591      -0.31443578 
O       3.72079004       9.01833996       3.60515997       2.87964382      -0.37364131       1.23063262 
O       1.44794003       1.86576002       1.74007002       3.98435040      -3.54703971      -3.13020010 
O       3.84332000       1.19263000       0.68112203       1.20127471      -0.34329897      -1.44656370 
O       1.23274000       1.08366004       9.55324000       0.53780656       0.75826816       0.85914881 
O       8.98500003       9.10089004       9.23942999       1.12000486      -0.61419402      -0.90887125 
O       1.05945004       3.73854003       6.23933996      -1.50709091       0.94038919       0.41621958 
O       7.28318001       9.78368000       0.89391705      -2.71044810      -1.08568341      -0.65016928 
O       3.85996004       8.37124997       8.98242996       0.70934785       3.53270226      -1.72117046 
O       7.01096999       4.65283001       9.53880002       0.92544344      -1.11558443       0.93427101 
O       0.87549203       6.62480005       8.81007000      -0.72292290      -1.39646550       0.77340851 
O       6.84115995       3.86838001       3.94809998      -3.17825982       0.51510167      -0.33742360 
O       9.55491996       6.92411003       6.02935005      -1.40514674      -0.19044250      -1.49068408 
O       4.28857999       9.56224001       6.16136000       0.84414107      -3.13860690       1.17120025 
O       4.07305997       6.30287001       3.49200003       0.31139157       1.41712606       0.09975708 
O       4.44864999       0.82551999       8.43002003      -1.75264031      -0.97349892       0.94034418 
O       3.31411999       6.17687996       9.32995002       1.33955388      -2.93681846      -0.34893383 
O       6.88170002       9.94667996       5.73261003       0.37463371      -2.60591878       2.65394094 
O       8.94845997       3.95531997       1.34610996      -0.62187823       3.08142283       1.01517478 
O       4.08083995       8.95821004       1.33432997      -0.30298475       1.83526415      -5.57778956 
O       1.15944004       3.62309001       3.76789999       0.85219928       2.64126677       0.12651660 
O       6.83531998       6.59670001       4.15609004      -1.74174658      -1.49185873       0.54263706 
O       1.18708996       9.30630001       3.29230001      -1.27652802      -1.58840751       0.01633215 
O       9.03862002       0.97539001       9.03048005      -0.15713490       1.57836592      -0.60993827 
O       6.94340996       1.85407997       6.81089004       1.21756292      -0.21238056      -0.72897910 
O       6.49100997       1.87824005       9.39172001      -0.47759083      -0.12287945       0.33456814 
96
Lattice="10.55583004 0.0 0.0 0.0 10.55583004 0.0 0.0 0.0 10.55583004" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.005992551873092468 0.005946250192593 -0.0012590124545649593 0.005946250192593 0.012264470430350198 0.005829111172110796 -0.0012590124545649593 0.005829111172110796 0.02098101496027023" pbc="T T T" energy=-929.7722786 free_energy=-929.7722786 config_type=crystal 
Hf       0.05620694       0.21377298      10.27060001      -0.67696449      -0.16262097      -2.25223408 
Hf       5.37597003      10.25860003      10.09580000       0.19638139       2.08656333      -1.37329343 
Hf      10.44540001       7.88620995       7.73949004       2.26950676      -0.95592264      -1.24565177 
Hf       7.70941004       2.60647997       5.28277999       3.27493473       1.77122005       1.08037144 
Hf      10.54952145       5.22479998      10.45170005      -0.56431696      -1.74975407      -1.67505862 
Hf       0.12641599       8.06750000       2.34877996      -1.68506271      -1.75962559       3.14463972 
Hf       2.79633005       5.17045002       2.72359004       1.06103131       0.34072861      -0.62200912 
Hf       8.00976996       5.78321997       2.22936998      -0.81199936      -3.50196448       0.79693894 
Hf       8.14823004       8.21565002      10.45750006      -1.54925675      -0.22232637      -0.71835937 
Hf       5.33434005       7.99979005       7.27730999      -1.42526462      -2.08247191       2.87637840 
Hf       5.35300001       7.63632000       2.09325002      -2.81634565       0.21381646       2.82695012 
Hf       5.21819995       5.09606002      10.27110004       0.69027871       0.05449252      -2.50802145 
Hf       2.22118995       7.97862002       4.67129997       5.65470461      -1.13063060       1.11753771 
Hf      10.48610002       5.18284003       5.17411997       0.58705741      -2.47935144      -1.10962005 
Hf       5.48332999       5.48402995       4.96373995       1.23015547       1.55782312       0.66827316 
Hf       2.73895996       5.51929001       7.54576997       1.39660921      -2.26296432      -2.42220583 
Hf       2.43471001       7.43175002      10.23850004       2.23945416       1.20883047       0.05395042 
Hf       2.53005998      10.39109998       7.39008003       0.04720448       0.81320915       1.33939802 
Hf       5.29909002       2.92274002       2.63237996       2.33290488       2.15749460      -2.74733932 
Hf      10.40930002       2.98893996       7.74619004      -0.57433827      -1.24245061      -1.49212968 
Hf       0.24433200       0.12120299       4.88743998      -2.13587276       2.69241283       0.70120660 
Hf       8.06360997       5.56643003       7.83651997      -2.84199329      -1.94392184      -0.77882224 
Hf       8.04429998      10.17160004       7.55683998      -0.41355371       8.48611912       0.07273737 
Hf       7.95931995       2.28179002      10.29599997      -1.93978329       2.25721075      -0.41510410 
Hf       8.06446003       8.11698003       4.99163004      -3.79539347      -1.84768493      -4.20035465 
Hf       2.88261995       2.54070004       4.63210997      -2.96032842       1.04595650       2.03843075 
Hf       5.41385997       2.68131003       7.60312001      -1.36360636       2.32200533       0.94887515 
Hf       5.37074996      10.53735523       5.00011999      -0.02906177      -2.13574225      -2.49283344 
Hf       2.68911998       2.57818000       9.99932003       0.08140755       0.02742687      -2.14410053 
Hf       2.65099000      10.21350004       2.10974002       2.51205835       1.10831509      -0.15589183 
Hf       0.28207701       2.64162001       2.51130005      -2.30614183       1.68570284       0.83522370 
Hf       8.03852003       0.50952295       2.62402998       1.48195769      -2.28485113       2.64059596 
O       9.07836999       6.62586000       9.27770005       1.55460476       0.91515969       0.84400442 
O       7.16513002       9.28789002       8.96737997      -2.21741973      -0.72195821       1.77350048 
O       8.56612997       3.70347001       7.12990004       0.92745553      -0.28810849      -3.49328661 
O       6.22606997       4.03922003       6.12625003      -0.29531879      -3.18804618      -0.71482342 
O       0.76522199       9.26829998       6.48959004       1.74833061       0.00731502      -0.74155801 
O       3.57503997       2.05580005       2.64953002       0.04585509      -1.72770972       0.82567298 
O       4.74696996       6.21140000       6.66473005      -1.64019488       1.00884316      -0.13494313 
O       0.62220696       9.63903002       1.45197004       2.27648547       1.63936426      -2.79732955 
O       9.61295997       4.01283003       9.21914000      -3.26818711       0.51263717       1.65354119 
O       9.30228004       3.66440995       4.22918001       1.79515077       4.16545549       1.85890016 
O       0.76961702       6.74253000       3.98120002       0.44839576      -0.06373403      -1.68810069 
O       3.59098001       0.09520240       0.27539496       0.43309739       0.86468874       1.25818803 
O       6.60041000       4.39297999       0.86034501       1.10723853      -3.22466990       0.87100883 
O       9.30209004       1.23271997       6.22226005      -0.17429899      -0.92472558       1.75392611 
O       8.91006002       9.03484999       6.41719003       3.15427354      -1.73250223       1.37573419 
O       1.24276004       3.52770003       9.15256998       2.69173768       1.65159569       3.33081997 
O       4.07464001       3.85426004       1.00090000      -0.96439371      -2.58008737      -0.88499073 
O       4.26295001       1.56163002       5.41107998       3.04495668      -1.58719039       1.77293245 
O       8.81903995       6.84765002       3.71011997       1.55150495      -1.04871968       0.24804951 
O       2.18599998       6.83808000       6.09259002      -1.40125609      -1.89600588       3.57773374 
O       1.76308002       9.09349998       9.42211004       0.85764656       0.98151311      -0.43859458 
O       7.18856998       6.32348001       5.89601999       1.05478484       1.26681085       1.90805895 
O       9.57616003       9.46756999       3.70183005       0.08243897      -1.04979502      -0.41003648 
O       1.84896996       1.09167001       5.98044995      -0.43449740      -0.46279658      -1.54685421 
O       9.13362997       7.42208003       1.39471005      -0.17869035       0.95900472      -1.06758406 
O       9.38676996       2.35759999       1.16295005      -2.48272107      -1.30557860       0.45975758 
O       4.09568000       4.20160997       3.98093000       1.62339729      -1.09446578      -2.51510135 
O       3.26361997       3.94371996       6.31879998       1.39132170      -0.81384913      -1.39370802 
O       6.59847997       6.67153001       8.70598997      -0.28569411       0.91140106      -0.80367282 
O       6.85649000       1.21957004       1.32287995      -2.02423275       1.88728544      -1.72816098 
O       9.30585003       1.54451997       4.07780001      -0.61611241      -3.12824606      -4.62806908 
O       7.03905002       9.65436004       3.98091997       1.89051485       2.85734655      -1.37589984 
O       1.37705004       1.25820997       3.37215005       0.15001017      -0.94607552       0.87293092 
O       8.87916005      10.24990002       0.61285397      -1.25543359      -1.28256306       1.22037908 
O       6.37661996       1.69034000       3.83370003       1.08155767      -0.89606027       1.04447625 
O       6.79733999       6.62102997       0.85145700      -0.36985996       2.41660760       0.28751440 
O       0.97792904       6.56619000       0.93197402       2.51915801       2.96543259       0.62834281 
O       1.31644997       4.21071005       1.93155001       0.39290220       0.12698784      -3.72659406 
O       3.74270001       4.14319000       8.61996998       2.40602292      -1.77290653       4.37376250 
O       4.58888005       9.62959005       3.34658003      -2.15126609       1.26569689      -0.34532975 
O       0.92453396       1.70655999       0.65599301       4.17050867       0.09726237      -0.11404856 
O       3.29259002       8.24179998       1.64584000      -1.68785696       1.64352831      -1.06139849 
O       0.70679104       1.34261998       8.27046001       1.99310000      -4.17542768       2.40490282 
O       9.98332995       9.15810999       9.05983004      -3.55269819       0.62091696       0.65203406 
O       1.08085999       4.36359995       6.87465996      -3.58097635       0.97460774      -1.75720003 
O       6.28645998       9.01831998       1.17364004       0.54937673       2.34911138      -3.31486273 
O       4.37632004       9.64321003       8.30398005       1.86657950      -1.47320469       1.41335753 
O       6.74620997       3.90479998       8.65480000      -1.25208173       0.14833998       1.34940171 
O       1.21814004       6.64530004       8.64796995       0.54383625      -1.27247144       1.47498857 
O       7.02930002       4.30352999       3.40554004      -2.44628247       0.60675053       0.80402302 
O       9.63206001       6.41063000       6.53929998       0.10808159       0.59677001       0.59618392 
O       3.74848999       9.05170005       5.95940004      -0.54642669       1.11046038       0.21159700 
O       3.73315005       6.70497003       3.90196004      -0.91953691      -0.11098777      -1.03286798 
O       3.52338997       1.37487997       8.36161002      -0.25626517       1.88172498       1.09345197 
O       4.10146998       6.72388999       9.18068005      -2.71215121       1.23644767      -0.50011884 
O       6.38911996       9.19747005       6.16835998       1.55501250       0.30486673       1.92464071 
O       9.57142996       4.84176997       1.46391998      -1.62684434       0.33688836       0.33769416 
O       4.09746003       6.10054004       0.99498103      -0.79515547       1.91457854       2.79831797 
O       1.47798995       3.92804001       4.12965996      -0.83301632       1.26782483       0.99136476 
O       6.27668000       7.39588004       3.99522998      -1.68052219      -2.18121139      -2.96823640 
O       1.49153002       9.42335003       3.59002999      -0.08488588      -0.02782203       0.92479769 
O       8.84696002       1.20866998       8.96858999       0.64055021      -0.93629318       0.20138137 
O       6.63544997       1.35845004       6.83741002       1.19698255      -1.64968279      -2.40178254 
O       6.26758995       1.51815003       9.27852003      -2.28495603      -1.99737395       1.67930314 
96
Lattice="10.55777494 0.0 0.0 0.0 10.55777494 0.0 0.0 0.0 10.55777494" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.01488786197497359 0.010653253310785048 -0.0064768634339568065 0.010653253310785048 0.0235762482110986 -0.011858866465366914 -0.0064768634339568065 -0.011858866465366914 0.04229744757239189" pbc="T T T" energy=-932.2142124 free_energy=-932.2142124 config_type=crystal 
Hf      10.36929997       0.21144003      10.06559998      -0.59338935      -1.50078249       2.40617714 
Hf       5.31694001      10.51834767      10.32700003      -2.21338564       0.71603157      -1.07979945 
Hf      10.37467493       7.92797003       7.65899995       0.80295004       1.05233772      -0.57131588 
Hf       7.94296999       2.99450002       5.22884003      -1.18493913      -2.20143618      -0.26916546 
Hf      10.15789995       5.07589999      10.46640004       1.32431212       2.92988249       4.57327420 
Hf       0.03168969       8.04494997       2.58976001      -2.50149049      -0.36437276       0.62914170 
Hf       2.74836999       5.61347001       2.24554001      -1.98459406      -0.20454871      -0.57326895 
Hf       7.95888995       5.16268005       2.81307004       2.84669207       1.04923169      -5.34746204 
Hf       8.01545999       7.93924003      10.10529996       1.38123315       0.15708522       3.39027878 
Hf       5.10287004       8.19252000       7.39363999      -2.21919616       0.54251607       2.02964201 
Hf       5.20785001       7.79981997       2.17422995       1.64303081       1.39564646       1.32842693 
Hf       5.46333000       5.68870999      10.08470005      -2.11599709       5.50107269       6.77187750 
Hf       2.40331002       8.03440000       5.06156000      -0.66161537       0.46351986      -0.06533639 
Hf       0.18134499       4.97347997       5.03469004      -0.16569068       3.96748501      -2.71301535 
Hf       5.22956999       5.42034001       5.32974997      -1.69465706       2.03847738      -1.03265573 
Hf       2.37717002       5.34005996       7.66729002       0.25154965       0.33572151      -1.09878469 
Hf       2.42815003       7.54750002      10.09890005       1.57753838       2.40742417      -1.42088744 
Hf       2.54056996       0.12963301       7.70298005       1.78563666       1.14368311       1.10037894 
Hf       5.37796005       2.90646000       2.30959002      -0.12938591      -3.37250797      -0.73744782 
Hf       0.38003397       2.68993999       7.48322999       0.45346003      -0.69282499      -0.24872835 
Hf       0.26201895       0.35470397       4.93948995       0.29652599      -3.46838378      -1.66290167 
Hf       8.31095004       5.20047002       7.85887995      -2.24710904       2.30914860       0.38567225 
Hf       7.96761997       0.25359395       7.26990001      -2.57084473       1.11209141       2.40429911 
Hf       7.70842997       2.56624003      10.53342787       0.24031908      -0.21677082       2.10708951 
Hf       7.96799002       7.79200004       5.53753005       0.76084476       3.04175892      -6.36000097 
Hf       2.92914000       2.94525000       4.79800996       0.44048792      -2.10917678      -0.70728441 
Hf       5.30398995       2.92741000       7.81804997      -2.85313246      -2.98662538      -1.47705937 
Hf       4.93793996       0.08057704       5.04200996       0.01971741       0.95912486      -1.34223757 
Hf       2.70642997       2.92519002      10.43549996      -1.11641698      -2.16616470       2.26199879 
Hf       2.35704004      10.38020003       1.77831001       4.68482039       3.03579083       2.10816500 
Hf      10.51380001       2.52213999       2.41420997      -2.68757549      -0.85906839      -2.80699255 
Hf       7.62069000      10.33310000       2.16465004       0.54715201      -1.46571307       1.75083156 
O       9.27396999       6.53094002       9.02557004       0.52731455      -0.20710946      -1.06218864 
O      10.10829995       8.79707002       9.61090997      -0.71552519       0.05882354      -4.00625831 
O       9.61557999       4.17290997       6.69137998      -2.03389523      -1.00461881       0.42106092 
O       6.64335002       4.24818997       6.34188004       0.86878302      -0.61753825       0.85814994 
O       0.88314098       9.10621001       6.21238999       0.29509662       1.61435893       1.28902017 
O       3.87494000       1.31053998       3.63777004      -1.18642860       0.82841828       1.72935637 
O       3.71915000       6.86521005       6.25999003       1.13307036      -0.82113734       0.32389662 
O       1.00165000       9.42139000       1.03155004      -0.45084658      -0.99389333      -0.78073806 
O       8.52090998       4.32826995       9.64593001      -1.11675517      -2.37172035      -2.49456630 
O       9.52378996       3.69715003       4.00526000      -0.98779943      -1.23584462      -0.28629464 
O       1.68717002       7.11882997       3.12355002       3.31483873       1.03807520       1.43065403 
O       3.67031998       1.42837003       0.85020801      -0.98914814      -1.47614065       1.68385671 
O       6.80275004       4.10931004       1.22746001      -0.81415990      -1.74534292      -1.35195409 
O       9.45683002       0.38212599       3.46316999       1.16612719       1.84609317       0.60839911 
O       8.72186002       9.01603996       6.94579005       0.51719959       2.31874199       0.60093913 
O       0.74561403       4.15064996       9.06283001       0.86238298      -0.84694270      -2.91708513 
O       4.12431000       3.77567000       0.98827805       0.39246587       2.80622303      -0.02298959 
O       4.14023999       1.39912995       6.60676005       1.10228839       1.04138407      -0.42574753 
O      10.04360000       6.33619003       3.63396998      -1.40601293      -2.59005806      -0.98457069 
O       1.15921001       6.43185002       5.93478998       1.49894919       2.44687102       0.94422671 
O       4.41923997       8.29978995       9.26705000       1.39086000      -0.01112927      -0.86149557 
O       6.36650996       7.07702002       6.38223999      -1.36851877      -2.59951422      -0.27060868 
O       1.71950004       9.70002995       3.63957004      -0.86968540       0.42901942       0.43740928 
O       1.75891000       1.41644998       6.17290000      -2.80085821       1.18379353      -1.11907041 
O       9.46115005       3.80137997       1.29014996      -0.70528359      -0.09143074       0.19393123 
O       9.11133000       9.23701999       1.04356004      -1.61285651      -0.06705676       1.96872840 
O       4.58589001       3.80320003       3.85495002      -1.14995280       1.50184349       2.60425753 
O       3.87634999       4.28174005       6.41889004       2.64750152       0.17101170      -0.83724252 
O       6.63424996       6.70075000       8.91256996       1.52229163       0.61681298      -0.58416804 
O       6.30310999       1.41110004       1.12644997      -0.03725322      -0.98489478      -0.81520494 
O       8.78510003       1.21896997       1.16314004       0.11011058       1.66498208      -2.15617835 
O       9.84116998       8.44692996       4.55806996      -0.26278905       1.87008419      -1.75634251 
O       1.46777999       2.10155002       3.42870002       0.91660252      -1.14892919       2.85601969 
O       8.82919997       6.31178996       1.04127998       2.85272832      -0.22616632       0.23244857 
O       6.27479995       0.88979798       3.93942995       1.64782660      -1.31528687      -2.91072054 
O       6.68902000       6.53384003       1.26460004      -3.86795525       1.30127139       0.42450209 
O       1.09736003       6.81776003       0.82785203       0.06894944      -1.40696986      -0.61046345 
O       1.50435001       4.14979003       1.06499000       0.23259330       0.44854818       0.05588085 
O       3.26203002       3.24452998       8.62482002       1.30566618       1.13291073      -1.81320944 
O       7.21341000       8.71212005       3.43761997      -0.23845328       0.34857236      -0.40632951 
O       0.69471901       1.56837003       0.75742100       2.24496722      -0.56539356       0.19089531 
O       4.08041996       9.21467003       1.21786996      -2.02313251       1.85902719       0.09049662 
O       0.93440901       1.23058996       8.62946998       3.18845585      -0.89301408       0.32042367 
O       2.33689000       9.36089996       9.11933997      -2.79796701      -0.96855620       0.62299068 
O       1.55707004       4.13340996       6.21506997      -0.53514890      -4.47035102       1.33780687 
O       6.52158995       9.23078003       0.64488103      -0.24320058      -0.84895698       5.06416218 
O       7.11341003       9.37180002       9.21407996       0.65822358       2.72750296      -3.87566359 
O       5.96013001       4.38064000       9.03214004       1.99334515      -7.29047934      -4.76212332 
O       1.31123996       6.97561998       8.46843003       1.94982902      -1.99247569       0.65755653 
O       7.08829002       3.24596996       3.40924003       1.35311092       1.60088783       2.09239689 
O       9.17296999       6.69140996       6.53049005       0.36997976      -3.04936851       1.49101669 
O       3.35639995       9.39724004       6.37184998       1.99696898      -0.71994538      -0.18982210 
O       4.42130000       6.31771002       3.48445003       0.13076360      -0.80711280      -0.05098511 
O       3.71633002       0.79129098       9.20679995       1.86808940      -0.55363903      -1.43467201 
O       3.63004998       5.76984998       9.10491003      -0.43501449       0.78493010       0.22961047 
O       6.20248004       9.71295995       6.83188000      -0.12878565       0.64546765      -1.58959493 
O       9.36236000       1.30257995       8.71486000      -4.35849361       0.40603977      -0.32902978 
O       3.91805004       6.69295995       0.82608803      -0.17910143      -0.40931622       1.40453851 
O       1.73044001       4.63999998       3.69139995       1.09195670      -1.61905723       1.48318901 
O       7.53885004       6.10977000       4.41114004      -1.98772697      -1.69117535       0.26923553 
O       4.51091999       8.83403997       3.98636000      -0.84048219       0.39255864       0.71223696 
O       9.43391996       1.60257004       6.10003995       0.74174556      -0.81535190      -0.05461545 
O       6.76237996       1.50680997       6.04488001       2.03588027       1.53925873       2.56190411 
O       6.52375999       1.55110005       8.99624001       0.02941716       1.28275205      -0.16417347 
96
Lattice="10.5596637 0.0 0.0 0.0 10.5596637 0.0 0.0 0.0 10.5596637" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.01860555472661657 -0.020367192840266418 0.009060035960799361 -0.020367192840266418 0.009217476156047028 -0.0033016254521044627 0.009060035960799361 -0.0033016254521044627 -0.0034207536040960313" pbc="T T T" energy=-933.08266825 free_energy=-933.08266825 config_type=crystal 
Hf      10.48450001      10.35259999      10.34839999      -0.22590714       0.90382694      -2.72751297 
Hf       5.68700002       0.19625600      10.25529998      -4.11498160      -2.68935124      -0.45169251 
Hf      10.30779999       7.97550998       7.61202999       1.54048994       1.06399822       3.97687363 
Hf       7.95226996       2.79588005       5.52668004      -1.56714168      -0.71158541       0.49474397 
Hf       0.02246695       5.15996995      10.46000001      -0.04302119       0.20202971      -0.26261581 
Hf      10.34389999       8.15998002       2.54538001      -0.91644053      -1.26822542       0.96384655 
Hf       3.09277999       5.51282998       2.08745998      -1.55239667      -3.76124819       4.46792363 
Hf       7.46315003       5.17502001       2.52089004       1.36238629       3.07979039       2.04253595 
Hf       7.66971004       7.63741003       0.24093499       3.66720629       2.83234899      -0.71825742 
Hf       5.55852999       8.04288000       7.78088999      -2.04022394      -3.44762769      -2.55590596 
Hf       5.31606998       8.25454001       2.75800000      -2.10476903      -2.11575545      -1.77748280 
Hf       5.02779000       5.21400998      10.25429998       3.31094918      -0.41495728      -8.99044948 
Hf       2.94854005       8.17776999       5.13407998      -0.58779564      -1.69605782       2.37210383 
Hf       0.27837903       5.47118003       4.61978001      -2.49754812      -1.11536404       1.79993416 
Hf       5.43732005       5.53551996       5.03071999      -1.26014674      -1.30834717       3.96459891 
Hf       2.34199001       5.27719003       7.65061996       0.25116375      -0.06143957      -1.95329362 
Hf       2.90444004       7.82260003      10.33369999       1.66469293       0.28904355      -3.81599563 
Hf       2.64819998      10.40300000       7.59214002      -0.16806609       0.15850845       1.81123134 
Hf       5.03477004       2.59262004       2.27153002       0.15866230       1.70078782       2.18849587 
Hf       0.09478935       2.46513997       7.70207995      -3.01583367       0.01467045       0.77727202 
Hf       0.25223700      10.38520000       5.13712000      -0.77418528       1.63255333      -0.56568881 
Hf       8.11075002       5.39012004       8.19485996      -1.60847967      -1.28286508      -3.23768232 
Hf       7.85743995       0.10662504       7.75378999       3.25444414       2.92471602      -1.82190797 
Hf       7.48832997       2.89914004       0.03334668       2.24790689      -0.99641132      -1.48890796 
Hf       7.93802001       8.01139003       4.90303000       1.14659452      -0.04326036       5.22730445 
Hf       2.40495000       2.60059997       4.87535998      -0.34990176       2.77489766       2.17373825 
Hf       4.80634001       2.77252999       7.44092996       3.60243890       3.32974941       0.30469134 
Hf       5.17860005       0.24379096       4.90713000       3.26837833      -1.80417883       5.95374937 
Hf       2.51376997       2.61204000      10.16059996      -2.03215684       1.52572129       0.11582395 
Hf       2.55226005       0.04269525       2.10374995      -1.38820635      -0.40635772       2.82702644 
Hf      10.10819996       2.60908002       2.48122002       1.25561191      -1.29157393      -0.18328271 
Hf       7.85733995       0.04354108       2.48256997       3.67441838       4.95688129       0.51890844 
O       9.77715999       6.32765999       8.93079999       0.77526172      -1.78008421      -0.32511428 
O       9.10253000       8.45446000       9.35433997      -0.05617756       2.45828425      -1.67570853 
O       8.72893998       3.59311998       7.29327999       0.87636216       2.71310593       1.60253824 
O       6.26658997       4.08937000       6.21727001      -0.21559918      -1.25732802      -2.35468325 
O       1.56184005       9.16818999       6.51700004      -2.16365465      -1.87569646      -3.91952737 
O       7.08977004       1.68040004       3.59254004      -0.12556821       0.01917093      -0.04647369 
O       4.39327997       6.37001998       0.95721905       0.27061405       6.49566712       2.75765317 
O       1.78786997       9.37205000       0.71441204      -0.09097538      -2.46179689      -0.68661381 
O       8.95305997       4.15711996       9.93121999      -0.92924815      -0.04036661      -0.03764267 
O       8.84192996       4.35924005       4.76362998       0.55703884       0.35538035      -1.80261377 
O       1.24176999       5.96919003       3.06863996       0.78401050       1.26710151      -1.94882259 
O       3.51983000       1.56004005       1.29148003      -0.93206069       0.08118347      -3.34939391 
O       6.25907001       4.17094002       0.96955801       4.64731821      -0.19343524      -0.48237768 
O       1.99192998       0.84950900       4.16068997      -1.13443608      -1.87600788      -1.05547159 
O       8.95798003       9.73820001       6.44131999       2.53658102      -4.17272117       0.08607671 
O       0.97464503       4.10381995       8.72539003      -0.16841492       0.69822220       3.29385635 
O       4.09731995       4.03358995       0.82740298      -4.43071240      -4.11497608       3.34385746 
O       4.00065995       1.75769995       6.15544001      -2.16805422      -1.62599422      -3.70404798 
O       9.30800997       6.76814000       3.67853995       1.15068875       1.09294159      -0.85312274 
O       1.54650002       6.60963005       5.68854004       0.71480841      -0.72971699       0.30197069 
O       3.79993004       9.12617003       8.72776004      -0.31440876       0.03420908       1.98995220 
O       6.95261996       6.68816005       6.69358001       0.41149197       0.71065762       1.49541870 
O       1.34415005       8.96878004       3.78086003      -1.14088118      -0.32675853      -0.79686408 
O       1.24662997       1.22186999       6.73265002      -0.04965744      -1.52535209      -2.26020944 
O       9.08523000       4.34240003       2.02022998       1.40978665      -1.35479769      -0.99167254 
O       9.35807999       9.44882002       1.30729999      -1.03533666      -0.13770319       1.74133289 
O       3.29068002       3.77213996       3.59044004       1.77978535       0.39721304      -2.22565473 
O       3.63404997       4.49247999       6.18154001       0.91261211      -0.98639035       1.29937057 
O       6.81221001       6.69481000       9.45443998      -0.74073927      -0.69886149      -1.15342527 
O       6.37184997       1.47954996       1.17653999      -0.47130269      -1.64210877       0.50994073 
O       8.97467001       1.80620999       1.02932001      -2.60107353      -0.70412874      -0.51086871 
O       9.21779000       9.41003005       4.01572004       0.05516184      -1.93207767      -2.44127047 
O       4.47276995       1.09033005       3.44998004      -1.79839000       2.48046157      -3.36453019 
O       9.32043004       6.96175998       0.91663002       3.65419240      -2.52423239       1.52616689 
O       9.53966999       1.17416005       4.07847000       1.04507980       1.09732234      -1.60148792 
O       6.90338996       7.12787997       2.05968997      -0.18022455       0.22132467      -3.54101585 
O       2.08318004       6.13585004       0.55457105      -3.10205965       1.03399262      -1.38418233 
O       1.14819004       3.47241003       1.05413004      -0.24837643       0.55061896      -1.68736770 
O       3.49462999       4.41650997       9.10725999      -0.58233646      -3.31052001      -0.63243740 
O       6.47053003       9.70867001       3.35778003      -0.04065346      -0.67037775      -0.77308771 
O       0.60895099       0.67213601       1.57076001       2.25948331       1.43170604       1.45532980 
O       4.34407997       9.13771005       1.15112003      -0.11603231       0.50649809       0.07233437 
O       0.90201999       1.49257003       9.38412002       3.15606785       2.28295149       1.61989652 
O       0.89003699       9.72738997       8.63315000       0.19544647      -1.15276249       1.28948846 
O       1.24655996       3.70810004       6.50600997      -0.07506155       0.73691591      -2.24582604 
O       6.98427002       9.46259004       0.13268302      -0.21123533       1.72563291       1.51919975 
O       6.13339998       9.89193002       8.15666999      -0.87911010      -0.57133028       2.58121573 
O       6.23845998       4.48402001       8.56564999       0.50142550      -1.57350391       2.48904679 
O       1.80683998       7.01720001       8.53203995      -1.05940610       0.44119943       0.54559286 
O       5.93930999       4.28147996       3.19688000      -1.81588273      -0.48644550       2.99952815 
O       9.54364000       6.79059998       6.30053000      -0.68012057       0.22736763      -1.07492095 
O       3.97266998       9.67814002       6.18921002      -0.83124488       0.14076255       1.01027200 
O       4.33910003       6.70648001       8.95231002       0.07121883       1.42720980       0.33058665 
O       3.59668999       1.42644995       8.57337005       0.39952662       1.89321663       2.63546425 
O       4.09408003       6.76612996       3.50531004      -0.84721913      -0.78075845       0.14616529 
O       6.37930002       9.12847995       5.57464995       0.67741102      -0.65474794       0.65129137 
O       9.30272000       0.81654997       9.02748997      -2.54460295      -0.22318947       0.18803329 
O       4.47830997       6.98238998       6.13961002      -1.10250868       1.68643893      -0.08605594 
O       0.78880498       3.25199004       3.79990005       0.39755900       1.88085921       1.90945673 
O       6.76624000       6.70743999       4.11617000      -1.36173885      -1.52030604       0.64679632 
O       4.04486999       9.26657005       3.92339004      -0.27408667       0.58298798      -2.27698137 
O       8.90989999       1.45247002       6.62222002       2.13344636       0.62652571      -0.46025120 
O       6.43420996       1.32287000       6.39913001      -0.47806699       0.39432330       0.69938823 
O       6.28178998       1.73393004       9.38249995       1.46613781       2.23810670      -2.41762360 
96
Lattice="10.56150323 0.0 0.0 0.0 10.56150323 0.0 0.0 0.0 10.56150323" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.02398152249332835 0.012206411918702741 -0.0015173825834420764 0.012206411918702741 0.0293201583459281 0.00576098181072647 -0.0015173825834420764 0.00576098181072647 0.037633813262044076" pbc="T T T" energy=-927.47060602 free_energy=-927.47060602 config_type=crystal 
Hf       0.10145602       0.27764301      10.37470002      -0.70341189      -2.48441154       0.96936164 
Hf       5.32277996       0.01475917      10.13120002      -1.89667270       2.62968834       2.71562847 
Hf      10.27689997       8.14661995       7.69020998       0.88989138      -0.23624625       3.28740113 
Hf       7.77927999       2.76502003       5.33946998      -0.76958764      -0.33040258      -0.57032850 
Hf      10.28220005       5.51484005      10.51170004       1.12784578      -0.92206462       0.44826682 
Hf      10.32889996       7.84583003       2.43678995      -0.87914655       3.69024866      -0.83117027 
Hf       2.50165997       5.18436998       2.35353003       3.91290914       0.97022242      -2.35448543 
Hf       7.86005997       5.21964001       2.79005998       1.50993746      -0.62127592      -2.77972457 
Hf       7.96817005       7.92785003      10.16839996       1.37022643       2.47298168       1.67277028 
Hf       5.20853005       8.16481996       7.95539000      -1.57760572      -2.91383670       0.03350326 
Hf       4.98354996       7.85281995       2.43811003      -0.02692857      -1.07515963      -1.06695468 
Hf       5.77389999       5.46988997      10.40320003      -2.25498178      -2.71417280       2.54258663 
Hf       2.51097004       8.05005000       4.92451000       0.03238086       2.69463561       0.76786555 
Hf       0.23675595       5.22015995       5.02402999      -0.33412952       0.76608958      -0.24305071 
Hf       4.99671002       5.59041996       5.18313998      -0.46863847      -1.51465323      -0.27888004 
Hf       2.58511000       5.57376996       7.75323004       0.57838887       0.63717288      -1.26199945 
Hf       2.41410996       7.88814005      10.12380000      -1.37446124       0.34689324      -0.14091563 
Hf       2.49198003       0.44835905       7.83674999       0.84901373      -1.69172777       1.17499448 
Hf       5.20065001       2.58908999       2.01731999       0.18089028       0.40115352      -0.43065431 
Hf      10.51189997       2.99414001       7.74985997      -3.46426997      -1.71909904       2.94504850 
Hf      10.45708524       0.57351497       5.42843005       5.79413148      -8.35211551       2.46716832 
Hf       7.97290002       5.49705997       7.63850001      -4.19425935       5.02557281       3.71816428 
Hf       7.67652998      10.45030000       7.47832996       0.76475279      -0.90083352       1.45726664 
Hf       7.92299998       2.65160005      10.00539995       3.05261735      -0.31156233       3.75012926 
Hf       7.61267999       7.92542004       5.03185997       0.54350261       0.67055750      -3.02006331 
Hf       3.00021995       2.59561996       4.92818002       0.28747071      -1.56787466      -0.80933551 
Hf       5.29497004       2.70629997       7.80962995       0.08937570       0.19048983       0.67225708 
Hf       5.11975998      10.55630000       5.06458996      -1.05754837       0.00911627      -0.13788166 
Hf       2.61598000       2.65113999      10.41942419       1.31333995       0.45722754       3.72590920 
Hf       2.43243998      10.03910002       2.12918004      -2.80728507       2.27634345      -0.67183337 
Hf      10.51030254       2.56323997       2.56557005       1.29607498       0.05681395      -2.52699588 
Hf       7.70717999       0.10475997       2.44987005       0.98713614      -1.80237679      -2.07533334 
O       9.19234005       6.58265999       9.02710005      -1.35931640       1.69340125       2.43206362 
O       8.99901997       9.52946999       9.10017995       0.73028433      -1.78932282      -2.23812672 
O       8.51624996       3.89573995       7.20281002       2.63438184      -8.13363331      -5.02240238 
O       6.04313003       3.66553002       6.22155004       1.51325258       1.18455351      -1.51940528 
O       0.22484796       9.09890000       6.22661999       1.65085205       1.29379565      -2.26825003 
O       5.72235996       9.98110997       1.37183999       0.20714604      -0.94586800       0.94139265 
O       4.39389004       6.09817004       1.69968996       0.22575930      -0.52566991      -1.56296277 
O       0.32044805       9.84725000       1.67548004       1.47496843       0.99042644      -1.89018226 
O       9.56139003       4.12354999       9.29723996       2.67038431       0.23911012      -0.96798614 
O       8.87635001       4.25361004       4.30507002      -0.28797637       0.42773097       0.18336259 
O       4.42159001       3.77962995       3.85678997      -0.94147675       1.19154692      -0.15464849 
O       3.76278995       1.40288997       1.12728997      -0.04166394       0.13558437       0.46439706 
O       6.86651000       4.14834998       1.23777998      -0.10783530       1.41280349       1.85588823 
O       1.56721999       1.18863002       3.82767001      -0.44753421      -1.01041395      -0.79623040 
O       1.01473001       9.66550004       8.79765002      -0.52375020      -0.08423814      -1.85651489 
O       1.94043996       5.29756004      10.53523350      -1.40599282      -0.56401821       0.75401974 
O       4.44324004       3.93001002       0.81402797      -1.99676791      -1.36414579       0.68711679 
O       4.18429004       1.47900999       6.65446004       0.58197220      -1.45231237      -2.52496163 
O       0.84639496       6.06537002       3.09850995       0.94642561       0.10716194       0.25327319 
O       1.57678005       6.58154997       5.85480998      -1.06217213      -1.11605536      -0.66048007 
O       4.02466000       8.98584999       9.40797004       3.06036671       1.16886007      -2.06356088 
O       6.57490995       6.53341001       6.18610004       0.49104246      -1.20140153      -0.22232296 
O       1.12813003       9.08130000       3.52614997       1.32416819      -3.72495802       2.44407654 
O       1.81845998       1.45620000       6.33335000      -4.22761608       0.43111788      -0.71502458 
O       9.50589999       3.75246999       1.31046995       1.92711040       1.74803971       1.46371373 
O       8.65292004       9.40262000       1.09581996      -1.77180534      -1.84833288      -1.17661858 
O       4.36233005       1.22424003       3.78253004       0.45722469       2.13327810       0.69794438 
O       3.41948005       4.10789003       6.45477000       0.69940768       1.08732116      -0.41255897 
O       6.47266996       6.73553004       8.78711999      -0.05273218       1.22715814       0.12910563 
O       6.36324000       1.76647996       0.39248901      -1.52179966      -1.40241284       0.42251709 
O       8.73819003       1.55090996       1.37777999       0.66875389      -2.39187902       1.50402451 
O       8.74079998       9.14719005       3.65776003       0.47002286       1.81077660      -1.60782673 
O       3.61960005       9.55349002       3.65167998       1.71789371      -2.79681225       1.50477215 
O       8.92578999       6.13721000       1.33615003       0.47976019       2.39121732      -1.45999283 
O       9.81131004       2.01869996       4.73613999      -4.64088383       5.58510408      -3.21274157 
O       6.50423005       7.33143001       0.82178803      -0.94027314      -0.28595837       0.32173579 
O       0.53069896       7.57314004       0.25628005      -1.62052970      -0.81277375       2.15836683 
O       1.92448998       3.50007995       1.75024999      -0.09140053      -0.02652238       1.23856848 
O       4.93479004       4.03474000       9.17559996      -2.51589081       0.41801534      -2.60741189 
O       6.22063003       9.19486003       3.94237997       0.01580854      -0.66268174      -0.24251288 
O       0.84254096       1.81858999       0.88483197       0.93124721      -1.40533350      -1.30879296 
O       3.05607003       7.97105999       1.60236001      -0.86619884       2.66020232      -1.02616776 
O       1.57002998       2.45052001       8.66981000       1.10995988      -0.35803579       1.18658515 
O       2.45520995      10.28570003      10.38320002      -1.13843959       0.17494374       3.03986787 
O       0.88815800       4.44127000       6.86948000      -0.60915783       0.51789734      -0.36692906 
O       6.66198997       9.38829005       9.27272999      -1.49036238      -0.37994819      -2.03581422 
O       6.08737998       9.16539998       6.42221005      -1.39792359       0.39595996       2.45047267 
O       7.19742999       4.31857998       9.37344005      -0.13823550       2.25108587      -1.17843198 
O       1.31858995       6.84504997       8.51744996      -1.67420819       1.54755437      -1.13141695 
O       7.15548001       1.97471003       3.42671003      -0.49634273       0.21006590       1.06776919 
O       9.33723997       6.44940001       6.75696999       2.23279115       1.67981969      -3.96959651 
O       2.92638005       9.50721004       6.52694996       1.50444794      -0.47103159      -0.80653768 
O       3.67874003       6.62890997       9.13462999       2.13421772      -0.77786705      -1.11541265 
O       3.87046004       1.51308996       8.99124998       1.46670812      -0.68923936       1.18071015 
O       6.21577998       6.16891003       3.42238003       0.79290097       0.72630088       2.04358216 
O       8.41143000       9.27300997       6.01006999       1.48202732       0.62278409       2.72502618 
O       9.73286004       1.77361996       9.40983995      -0.91220715      -0.56760615      -0.10173405 
O       4.02562996       7.08115005       6.24661999       0.71202718      -0.59359593       2.70395571 
O       1.26854997       3.48535004       4.23840000      -0.80157392       4.13239574       0.65152058 
O       9.16169004       6.72934004       3.67403995      -1.79270640      -0.30630445       2.72939832 
O       3.75893004       6.63857005       3.93074003      -1.30594874       0.90682782       0.00919565 
O       9.24456996       1.00803000       7.16462997       3.39807170       1.66607757      -2.55572752 
O       6.98990997       1.08162995       5.99223995      -2.02401505      -0.77727536      -1.35484911 
O       7.01903004       1.56006003       8.52405998      -2.27760678       0.15933529      -0.25900415 
96
Lattice="10.56329584 0.0 0.0 0.0 10.56329584 0.0 0.0 0.0 10.56329584" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.02947722789539784 0.004394674412665104 -0.0014416089836878988 0.004394674412665104 0.02328933396329834 -0.004436975797618629 -0.0014416089836878988 -0.004436975797618629 0.03303391884071612" pbc="T T T" energy=-934.37633759 free_energy=-934.37633759 config_type=crystal 
Hf      10.15539998       0.33962602      10.36169999       3.18483246      -1.48907452      -1.62645604 
Hf       5.60173004       0.11389504       0.00612291       1.83477803      -1.34495343      -1.97975557 
Hf      10.31309995       8.24713995       7.84341998       1.34187155      -1.60598662       3.01492406 
Hf       7.59305001       2.80298999       5.16603001       0.94382999       0.07170002      -1.37311935 
Hf      10.29259998       5.19232997      10.52490175       1.52641779      -0.67399694      -0.22112679 
Hf       0.18515704       8.03867004       2.44585003      -2.03662954       1.04690321      -2.62535947 
Hf       2.63850003       5.98537004       2.64614997       0.20947369      -3.50916330      -3.09770629 
Hf       7.66913003       5.10863001       2.91519004       2.56087959       0.64055903      -4.70911569 
Hf       8.23797999       7.78556998       0.08497337       0.33035015      -0.20379837      -1.28359479 
Hf       4.82603005       8.18555995       8.01641000       4.37501455      -1.06865939      -1.46391286 
Hf       5.57890002       7.78708000       2.36574000      -2.25511699       2.89428733      -1.81456047 
Hf       5.68583997       5.40060996      10.07399996      -0.38718779      -1.06674177       0.54638138 
Hf       2.85030996       7.97529998       5.13606003       0.90456174       0.31456669       0.52633311 
Hf      10.35729995       5.62758001       5.16251000       1.38590009      -2.36560161      -1.08368692 
Hf       5.25272002       5.13582004       5.39239003      -4.53859099      -0.10692629       2.47865945 
Hf       2.84296995       5.52007999       8.01885002      -1.94745866      -1.83530117      -1.71266807 
Hf       2.64307003       8.18269001       0.02674553      -1.33047563      -1.30186018      -1.64298026 
Hf       2.47438001       0.06236718       7.29136999      -0.13689771       2.69599972       0.41513432 
Hf       4.79899995       2.80677999       2.15512996       2.78326725       1.30465396       2.71322000 
Hf      10.48520002       2.88265002       7.60325003       1.49880766      -2.81922356       0.04901448 
Hf      10.25900003      10.50452927       5.02914997       0.58140265       1.28843898       3.07298920 
Hf       8.07472996       5.57965001       7.64144004      -2.87821326       1.04682031       0.78022368 
Hf       7.59802997      10.43860004       7.66718005      -3.15631976       1.77003737       1.34522322 
Hf       7.77319001       2.54382998      10.17559996      -0.73898862       1.57252115       0.26140298 
Hf       7.73116996       7.83033005       4.76709996       0.48022125       1.35159035       4.03742560 
Hf       2.19679001       2.85109999       5.01949005       0.28859364      -1.73872560       0.83469563 
Hf       5.08209004       2.64571001       7.59423003      -2.35706401      -2.37753980       2.63966221 
Hf       5.53802999      10.44930003       4.78652005      -4.27132418       1.23829644       1.50921530 
Hf       2.71439996       2.63751004      10.36219995      -0.22196046       1.35383584      -3.50655961 
Hf       2.62352001       0.19399704       2.38457002      -0.11595359      -0.51801912       1.50543027 
Hf       0.08175283       3.11581999       2.37781004      -0.83287809       0.84544505       0.10281056 
Hf       8.08381999       0.13191803       2.54598996       1.18107138       1.01457393      -1.23190300 
O       9.37114995       6.52414999       9.18595002      -0.70693308      -1.82558104      -0.51565333 
O       8.75775003       8.95152999       9.04604001       0.13662876      -0.41518025      -0.46523690 
O       9.52657997       4.51329998       6.81008996      -0.69876323       1.22357658       0.05823814 
O       6.40677995       4.23558998       4.10216002       0.50509149      -0.15340647      -1.12793367 
O       1.29301998       9.03150999       6.75887002      -0.63416024      -0.55015317      -1.39380738 
O       6.89151998       9.03396004       1.04142995      -0.77023363       0.09441114      -0.26878169 
O       3.95726002       7.22081002       1.43788998      -0.95583643      -1.93977322      -0.59101179 
O       1.75518002       9.09337995       1.65463001      -0.40800076      -0.71186576       0.39248071 
O       9.57981000       3.38083998       9.49581004      -1.30112831      -0.04135640      -1.28809621 
O       6.28659003       1.81946000       4.00023996       1.88932227      -1.52809802       0.68216586 
O       4.04671001       3.96228002       4.30410003      -2.89159881      -1.98275001      -2.47908900 
O       4.45934002       1.67150002       0.62844501      -2.84320571       0.44380098      -0.60427794 
O       6.94553001       4.27779003       9.06349998       1.56700136       0.35629558       0.66390455 
O       1.62093004       1.85591995       3.30334004      -0.18091216       1.21714890      -1.71917582 
O       0.49429802       8.71813999      10.05619996       0.58889852       1.40738116      -1.04377677 
O       1.30729004       3.90578001       8.64033001       1.18552727       0.27005957      -1.47742680 
O       3.44715001       4.17676996       1.55680998       0.76964160      -1.20520302      -0.00151271 
O       2.89892003       1.11187002       5.57767003       4.40768841       0.08050577      -0.64370613 
O       1.40811005       7.20389998       3.68466002       0.26294120       1.67968877       0.66978709 
O       1.68903995       6.11129995       5.80463004      -0.39225392      -0.27325414      -0.09136906 
O       3.50702996       9.04391003       8.89342996      -4.58496163       2.68553614       0.56575111 
O       6.79841002       6.14329998       5.98826998       3.41953301       1.45275454       0.83038270 
O       1.18555999       9.94018001       3.94707003       0.88771920      -1.43298344      -1.33379858 
O       0.96329600       1.17291003       6.26918996      -3.66830850      -0.00745436       0.82972782 
O       8.99006004       4.38039998       1.36393001       0.83756614      -2.98631435      -0.19849581 
O       9.41949995       9.54551996       1.44163995       0.12563146       0.38597670      -0.62471383 
O       4.37930003       0.82601604       3.17071004      -1.32857014       1.13290449      -1.79079504 
O       3.80316995       3.98361999       6.71597998      -0.98732586       0.15631336      -1.02863677 
O       6.77586995       6.87551997       8.93013995      -1.10544000      -0.93522368       1.26207679 
O       6.92946999       1.36424997       1.00440000       0.29953048      -3.59199953       2.70119495 
O       9.41982002       1.83198004       1.25169003       0.80858053      -2.06672477      -0.38240018 
O       8.91518000       9.17933000       3.87407005       3.37402627      -0.13193527       0.02306167 
O       3.94716003       9.07621998       3.67486995       0.05244174      -0.05193786       0.89397018 
O       9.40786997       6.43417004       1.26745997       0.64060677       5.92997335      -0.33440076 
O       9.12438998       1.15842997       4.07093999      -1.49646220       1.04628687      -2.17362199 
O       6.75225000       6.30172005       1.32482004      -1.55073017       0.33973960      -3.94647318 
O       1.50938005       6.42526001       0.82095696      -0.22318878       0.47132979       1.41600939 
O       0.91252605       4.89925999       3.28767995      -0.13453822      -1.86506948      -0.04264970 
O       4.13195000       4.07329001       9.15032995       0.98206916       0.00740453       1.63367667 
O       6.80328002       6.78626001       3.44779004      -2.81813454       1.25630601       2.50388081 
O       1.77908000       1.06196003       0.39523902      -0.08064472      -1.74426234       3.04631448 
O       4.18741005       9.39231002       0.52824000       0.29997800       2.05518059       2.01275425 
O       1.09489005       3.56174001       0.58753897      -1.65622660       0.87938026       2.31460089 
O       0.86634998       0.94335197       8.68174997      -2.50855289      -0.55590062       0.89329916 
O       0.09350291       3.06382005       5.30369996       2.92107263       3.04260623       0.64628121 
O       6.23403003       9.44918999       8.81386004      -1.18373943       0.67932577       0.94338545 
O       6.51256998       8.89288004       6.04442996       0.45223304       0.97278377      -0.52038687 
O       6.40972003       3.86300004       6.88675995       1.81611992       0.69518283      -4.02269355 
O       1.30152998       6.75746003       8.28403998      -0.53254647       0.54904729       0.22861105 
O       6.71996001       9.59621998       3.44722998      -1.83130841      -1.31677002       0.28901718 
O       9.15580998       7.09374002       6.46703003       0.93341745      -0.21048841      -0.68359652 
O       4.04671001       9.18953003       6.38975001      -1.86023100       0.55359119      -1.11595673 
O       3.77231995       6.57672996       9.33380003       2.57791394       1.47487429       2.39109693 
O       3.36089996       1.58418001       8.34713000       0.54837178       0.26087684       1.22421689 
O       6.32003004       3.63620005       0.82286997      -1.58066012       1.56977112       1.41553898 
O       8.99078996       9.86514005       6.56319003       3.63944146      -2.10332774      -1.41100932 
O       8.48687997       0.64435703       9.31423998       1.68076835       2.59204836       1.50783663 
O       4.32389005       6.61061997       6.89855999      -1.29444052      -1.25569544      -2.50022379 
O       8.92195995       4.03289005       3.91553997       0.80811648      -1.71258865       1.39590519 
O       9.00382000       6.59618998       3.71224997       3.45107136      -1.00751602       1.81275262 
O       4.10935997       6.65280999       3.77376004       0.83831043      -0.37415284       3.05867115 
O       8.31923001       1.83273996       6.60162004       0.84217685      -1.01346053       2.48874496 
O       5.63405996       0.90687997       6.65285995       1.16782801      -0.00315932      -1.41052965 
O       6.28572996       1.48524999       9.08047002      -0.71444304       1.60686611      -0.02433824 
96
Lattice="10.56502956 0.0 0.0 0.0 10.56502956 0.0 0.0 0.0 10.56502956" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.039541752642955556 0.003167392510986764 0.016684773584233294 0.003167392510986764 0.0358917773817512 -0.01242025952798125 0.016684773584233294 -0.01242025952798125 0.010710331836843142" pbc="T T T" energy=-932.33420477 free_energy=-932.33420477 config_type=crystal 
Hf      10.29220003       0.25165995       9.54292000      -1.62654161       0.53554612       2.98404012 
Hf       5.13024999       0.01511602      10.37260001      -1.61956500      -1.30542808      -1.05820293 
Hf       0.22255097       8.17279995       7.52409002      -1.02430270      -3.45092883      -0.35761358 
Hf       7.95628996       2.49731996       4.88905005      -1.02845358       1.46163571       2.22092703 
Hf      10.20189999       5.59589997       0.27348604       2.95242701      -2.96060645      -0.79314598 
Hf       0.09861821       8.19732001       2.42510999       1.37154861       2.17097244       1.40462167 
Hf       2.55586004       5.32506998       2.32455003       1.66881010       2.82826030       2.27427414 
Hf       7.66026005       5.06726002       2.74815996       0.99404833       0.52121526       2.15059742 
Hf       7.84520005       7.73814999       0.06159264      -0.29826709       0.66211819       0.15338700 
Hf       5.56130003       7.91755000       7.88641000      -1.95764113      -1.94493142      -0.41422260 
Hf       5.16537005       7.80308002       2.56534998      -1.89582799       1.09542143       0.59088258 
Hf       5.21966997       4.98895001      10.54438422       1.37886016       4.21687347      -3.32437645 
Hf       2.41622997       8.47309000       4.98000999       1.49697042      -2.81286289      -5.04890147 
Hf       0.21457501       5.63694004       4.82693000      -0.10914242       0.27696200       0.29100390 
Hf       5.22166000       5.35235005       5.20395005       0.17426470       0.80506949      -1.92520466 
Hf       2.87481998       5.48917003       7.66646003      -0.30477450       0.05701868       0.01673879 
Hf       2.50463001       7.77298004      10.05730002       3.15253420       2.86280732       4.55579307 
Hf       2.62213997       0.03438695       7.66413995       1.04336739       1.62798899       1.20245316 
Hf       5.03027005       2.71776997       2.77197998      -0.14836005      -0.71124631       0.66397967 
Hf      10.45580004       3.02656000       7.76741998       2.29669856      -0.02443828      -1.46559460 
Hf      10.17560003       0.13852497       5.18137998       2.97690478       2.74957067      -1.99573700 
Hf       8.09521999       5.30024998       7.88150001       1.47777922      -0.12834300      -1.66204770 
Hf       7.44688005      10.50799995       7.55175001       2.39230472       4.30813739       0.93015582 
Hf       7.91403998       2.74800000       0.04109955       1.24652017      -1.29369151      -0.31762887 
Hf       8.07935005       8.05015000       4.96828999       0.48438070       1.61490767      -4.05444303 
Hf       2.45844001       2.74735997       5.32888998      -0.56326348      -0.80454998      -1.85291928 
Hf       4.90668995       2.87584003       7.68577005       2.27736066      -1.53169406      -0.03146406 
Hf       5.29394001       0.16877402       5.24510000      -0.36480536       0.16881639      -2.90155217 
Hf       2.77757997       2.86374001      10.45240001      -3.13627579      -0.00852942       1.40731873 
Hf       2.60997001       0.09227592       2.21051004      -1.16405358       0.90693502       2.59356756 
Hf      10.50759996       2.58185002       2.78219996       2.48194707       1.04733193      -1.87131355 
Hf       7.67229002       0.09240936       2.03640004       2.95444853      -0.78705911      -1.17639888 
O       9.35360999       6.83304000       9.40197997      -0.24197042      -0.33741881       0.76247106 
O       9.55517005       9.47645001       8.15047002      -4.44945662       2.65658311       0.28215522 
O       8.79684001       3.73712005       6.75032997      -0.79895247       0.76039939      -1.20906052 
O       6.40141998       3.86072001       4.25842998       1.04899650       0.49746371      -0.95647225 
O       1.69553997       9.18628000       6.62619003       1.10540636       1.58355799       0.71430104 
O       6.30040995       9.06702997       1.12468004       2.99021604       1.06499193      -0.53018957 
O       3.86432004       7.19647004       1.15995995      -3.28397297      -1.25446877      -0.88705773 
O       1.23473997       9.83324004       1.15817002      -0.20129794      -2.44313151      -0.59700935 
O       9.26572004       3.95053005       9.21088996      -1.76948395       1.82259927       1.52055667 
O       6.87163004       1.51102997       3.13914001      -1.09910561      -1.68898747       1.91724590 
O       3.92608997       4.03243999       3.67642004      -1.97360320       0.86052084       0.37420747 
O       3.94012001       1.68324999       1.19359996       0.15483199      -0.63190390      -0.45759687 
O       6.17145996       3.53439002       9.60130996       2.48220415      -1.38668123       0.13710309 
O       1.28598005       1.44738000       4.37344998      -0.96422354       0.72966291      -0.61420534 
O       0.99904504       9.51906998       9.02645001       4.83873953      -1.38870165       0.39646261 
O       1.29080002       4.41078003       8.33136002       0.29160668      -0.24459373       0.34543357 
O       4.38265001       4.10893999       1.38192995      -2.61198475      -0.05053400       0.13605607 
O       3.42196997       1.51840996       6.57215001       1.66505538       0.79824325       0.29185937 
O       1.65315001       7.06812997       3.40788002      -1.55313680       0.08993385       0.91190975 
O       1.60530997       6.54197998       5.81206005       2.29840781       1.61926330       1.71009469 
O       3.82916998       9.32881999       9.00901000      -0.40667235      -0.36436486       0.48608994 
O       7.28871004       7.81360997       6.60651002      -3.11604293      -2.26048206       5.50678281 
O       1.04789996       9.55888999       3.78945001       2.43332047      -0.57935405       0.71326741 
O       1.01650999       1.37483997       6.93109002      -1.01458815      -1.22504636      -0.32111475 
O       9.80603995       3.69095002       1.25750000      -1.85151118       3.80547207      -2.58399369 
O       9.22593995       9.33015003       0.63143505      -2.04102003      -1.25487853      -0.94972282 
O       3.96770002       1.52345000       4.09850998       1.55744276      -0.75513069      -0.64981596 
O       3.76242995       4.35689997       6.00194998      -2.25247727      -2.83014605       3.78183541 
O       6.78171001       6.13043003       9.11801997      -0.71051834       2.86619131       1.22018881 
O       6.68939004       1.02957999       0.21017404       2.20432671       0.74236213       2.25860489 
O       9.21315004       1.46988002       1.45026995      -3.26420132      -2.00331655      -2.08503778 
O       9.38856999       9.32575001       3.34094000      -5.78470449       3.21295071       0.91569759 
O       3.76921999       9.36666995       3.78044998      -1.59455113       0.63619013      -0.39039797 
O       8.93861003       6.44582997       1.46328005      -2.28253049       0.39410986      -0.62792505 
O       9.34101003       1.54308997       3.85889004      -1.66035030      -2.44779205       1.58801897 
O       6.16923000       6.53944004       1.13792003       2.98273811      -1.40031965       0.84144073 
O       0.96970395       6.86192997       1.25888001      -0.23937429      -0.90499379      -4.52893062 
O       1.10078004       4.38641000       3.33195000       0.44847816      -0.06550501      -0.20697189 
O       3.91180003       4.13894996       9.20168001      -1.28872838       2.38107373      -1.39364592 
O       6.94175003       6.43786996       4.20726999      -1.06771356      -1.60095035      -1.22561828 
O       1.28106995       1.73942995       1.65379003       2.58434111       0.70825607      -0.77518616 
O       4.06798001       9.73197001       1.31324997       0.12704535       0.19701339      -1.50733843 
O       1.91561999       4.81596001       0.54816899      -0.28402598      -1.86569529      -1.19798821 
O       1.06573996       1.87061001       9.26945995      -1.43620052      -0.68469077       1.89407086 
O       1.01764002       4.04366998       5.93776003      -1.11423769      -1.33448190      -0.21158805 
O       6.82216996       9.30229997       8.92143996      -1.07260890      -3.80554480       2.45759859 
O       7.25440000       9.97882995       5.67745999      -0.00092190       1.82026546      -0.33149831 
O       6.02238000       4.70687999       7.12408004       1.85316097      -0.83335401      -0.44074682 
O       1.87725002       7.00934995       8.50268001      -3.78528913       0.28271502      -2.03652123 
O       6.01676997       8.85778998       4.08207999       2.23614227       0.84610962      -0.77927268 
O       9.83850998       6.49445003       6.74012003      -2.29722010      -1.61957305       0.15255596 
O       4.30777998       9.53377998       6.28794998      -1.60198935      -1.80846740       2.64043651 
O       4.00965999       6.71084001       9.21884004       2.26502314      -0.75822522      -0.36871547 
O       3.62594001       1.94429000       9.03884004       0.52966810      -3.57415493      -0.54751018 
O       6.76509999       3.36454998       1.74672997       2.30689280       3.06198699      -1.85967885 
O      10.08649996       8.89089001       5.75624997      -2.17788562      -1.71613336       0.13638071 
O       8.47887002       1.38417999       8.80127997       1.62615889      -0.17864504       1.67086080 
O       4.51400999       6.61731995       6.64182004       0.05675971       2.57642446       0.90400271 
O       9.17087999       4.10556996       3.75691004      -2.22751248      -0.02016189       0.91782156 
O       9.29979997       6.88967997       3.81270005       2.48601335      -1.39643074       0.44775405 
O       4.02059997       6.58807003       3.81692997       1.80477407      -0.41153146       0.17188440 
O       8.91861001       1.28057001       6.27225996      -0.37739697      -0.79488449       0.10956743 
O       6.12003996       2.01747005       6.21051000       1.09386044      -0.91509407      -1.72604371 
O       5.54174004       0.64418197       8.14459999       0.84594918       0.66814985       0.49316400 
96
Lattice="10.5667085 0.0 0.0 0.0 10.5667085 0.0 0.0 0.0 10.5667085" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.010270845621117181 -0.006814428364675836 0.005103319536592255 -0.006814428364675836 -0.001565966552893043 0.007260728398465469 0.005103319536592255 0.007260728398465469 0.004661224551055439" pbc="T T T" energy=-933.7473531 free_energy=-933.7473531 config_type=crystal 
Hf      10.54287233       0.14721105      10.28530004      -1.98433526       0.54558321       1.27979970 
Hf       4.92433997      10.54088885      10.22229995       1.97560986       0.62685649      -0.85795226 
Hf       0.07608675       8.01751005       7.47987000      -0.38785319       2.22795930       0.40172253 
Hf       7.73361999       2.94140002       5.40256004      -0.71430686      -2.41049060       1.44602489 
Hf      10.52170003       5.43985999      10.46704669      -0.73960278       1.24233288       0.81485998 
Hf       0.18108295       8.19598999       2.46879996      -0.91774666      -1.24722140      -1.06282473 
Hf       2.64569004       5.26273998       2.24596995       1.78179114       5.53282640      -0.78646601 
Hf       7.77307999       5.37450997       2.87171997       2.61465127      -0.30331123      -0.91095063 
Hf       7.69533998       7.83866005       0.08658329       2.74515908       0.58158060      -2.11750216 
Hf       5.18132000       7.64786999       7.72539001      -3.72625296       0.91206769       1.44240968 
Hf       5.52972995       7.83628001       2.29677997      -4.55465665      -1.89203572       2.39311427 
Hf       5.43514998       5.16723003      10.28569999      -2.75737077       3.04351193       1.41915873 
Hf       2.40901997       8.27238001       5.25725997      -0.06765931       1.59109498      -2.41709617 
Hf       0.07672350       5.44563005       4.76445997       0.16602278       0.52475087       0.98375258 
Hf       4.92870001       5.44913999       4.91849996       2.42334856       1.91209483       2.07882422 
Hf       2.40250000       5.17893002       7.71196004      -2.41577880       0.01726922       1.63622308 
Hf       2.36362000       7.94255003      10.08279996       1.69087078      -0.65639984       0.79714261 
Hf       2.73843003       0.34458396       7.84830999      -0.55309617      -1.47847649      -0.98102523 
Hf       5.13824999       2.62214002       2.31175004       0.73715616       2.83249099       1.13005519 
Hf      10.38099997       2.40237002       7.57425998       0.84332637       2.56271775       0.13058319 
Hf      10.53861712       0.21419902       4.84880999      -0.28550780       0.86956521       1.24473284 
Hf       8.40932000       5.49302004       7.88707998      -4.63818393      -2.28920581      -0.77226574 
Hf       7.75563996       0.35081800       7.86828001       2.92813110      -0.27694985      -4.14297984 
Hf       7.65782003       3.10060005      10.28480002       6.13399232      -1.27154841      -1.23992044 
Hf       7.84408997       8.07492003       5.26849999       1.28335424      -0.12797262       0.43651678 
Hf       2.88873998       2.93534001       4.91596998      -3.68046388      -5.13900398       2.89199343 
Hf       5.11392004       3.09346996       7.98006005       4.02740983      -1.09742231       0.94909392 
Hf       5.39882999      10.52289998       5.14379001       1.11361781      -1.01002602      -0.87507664 
Hf       2.40058996       2.84098004       0.13330199      -0.27090945       0.29190565      -3.40669925 
Hf       2.82013002       0.13801305       2.14039998       0.43681915      -2.22581066      -0.03912079 
Hf      10.16309997       2.87663000       2.64641999       3.00604014       0.16730928      -4.07451322 
Hf       7.69174001      10.54269999       2.53502998       1.01895046       0.45719886       0.59235300 
O       8.87082005       6.90480996       9.08926001       0.30624182       3.57045255       2.25788261 
O       1.38147002       9.00886997       8.73043002       0.63842629       1.64444288       1.71236353 
O       9.07679003       3.87234996       6.65849999      -1.01367242       0.45278827      -0.39733019 
O       6.76690998       3.82110999       3.87449997      -0.75955342       0.33292633      -1.08279582 
O       1.15498002       9.49329998       6.37428004       0.90710896      -0.29110889      -2.41847470 
O       6.20969003       8.96436997       0.79339095       0.84540048       2.53775630       0.29748469 
O       4.47781000       6.28842998       1.30737996       0.12093372      -0.57138231      -1.44600659 
O       1.43649002       6.97370004       1.02413997       0.97336180       1.37099513       1.48434967 
O       6.81896000       4.49798005       8.87164996      -2.40491170       0.25927301      -0.16704055 
O       6.77044000       1.04772000       4.10817998       0.35201394       0.02600266       0.57763552 
O       3.74242996       4.28148003       3.94077004      -0.52249832      -0.06959443      -1.19982850 
O       3.92755003       1.49186000       0.85474295      -1.04468230      -0.70661264      -0.04814010 
O       3.98924999       1.52175005       8.68665003       0.42329208      -0.84927589       1.33139923 
O       0.92202499       2.05847005       4.37161997       1.10322152      -0.49207550      -0.73637483 
O       4.27584998       9.35466001       8.68662995      -0.80908091       0.63712999       0.02198639 
O       9.09295001       4.57653000       9.35189999       2.10822718      -2.79857080       1.86872690 
O       3.67049001       3.79995005       1.61663000       0.17081756      -1.55899990      -2.34121691 
O       3.96312000       0.66398005       6.11468000      -2.26243279      -0.85453206       0.36001949 
O       0.96628502       7.17785001       4.15168999       0.98068409       0.56919943      -2.74741465 
O       1.57757999       7.02684995       6.40156001      -1.09726008      -2.22707648       2.69635973 
O       6.65994002      10.19669999       9.10706999      -2.62606109      -1.34954115       2.86305310 
O       6.48838000       6.96885003       6.47501998       2.48414676      -0.99865797      -0.46163405 
O       1.72288999       9.83860998       3.60796003      -1.10768137      -0.51479247       1.60196136 
O       1.41035000       1.32819997       6.87109001      -2.05747389       1.32675729      -1.00608288 
O       9.20142995       4.15619003       1.35705997      -0.47886235       0.38084804       0.87993102 
O       9.12173003       9.94662995       1.01945997      -2.20252361      -1.11744247       1.20814810 
O       3.98497998       1.70479999       3.56842998      -1.88031494      -1.05441567       1.05429348 
O       3.89641004       3.07466998       6.57566999      -5.67944068       0.50710241      -2.75558700 
O       6.09458001       7.00754996       9.76491997       1.91714728       0.28803334      -2.19561451 
O       6.10670002       1.23905995       1.70781003       4.60366674      -4.58539124      -2.18721605 
O       9.27792997       1.97754005       0.28807795       1.11073948      -2.34262254       0.88386844 
O       9.43502998       9.50025002       3.51249997       0.45092866      -0.14928762       1.37292548 
O       4.48829999       9.42833005       3.04442997      -1.22964080       2.51787188       1.53478895 
O       9.66468999       6.56127000       1.36757004      -0.65830124       2.80841766      -0.28908753 
O       9.24226003       1.46827997       3.43235000      -2.54833549      -3.23213235       0.38607387 
O       7.11180005       6.68643002       1.50269996       0.56015924      -0.25537203      -0.16445958 
O       1.78941999       4.88239997       0.34656595       0.94673006      -3.82327446       1.07800141 
O       0.95582197       4.59001999       2.93724001       0.14591664      -0.18161657       1.97195065 
O       3.90734997       4.29776998       9.23805998      -0.15301193      -0.67824491      -0.63839641 
O       6.25333001       6.42550005       3.74947003       3.21996263      -1.14439299       0.60168421 
O       1.09189001       9.47944005       1.15264995       0.27324830       1.40084745      -1.17782419 
O       3.62996003       9.31514000       0.76004696      -0.87788498       0.97825643      -1.28512904 
O       1.31497002       1.74565004       1.32965997      -0.35009907       0.16696565       2.18922702 
O       1.07790000       3.58686001       8.77937998       0.52490153       1.35154931      -0.24959063 
O       1.08438004       4.25505005       6.15178997       2.02119873       0.59676519      -0.35835602 
O       9.30100998       9.77782995       8.98452998       1.32730211       0.98242023       0.06886490 
O       6.85259003       9.48177001       6.18309004      -1.93745444       1.74180852       1.19295444 
O       5.72571999       4.29506998       6.39234996       4.44374871      -0.46011294      -0.66494399 
O       1.07629999       6.47779997       8.89439997      -0.16068627      -0.32764118      -0.04617827 
O       6.77961000       8.75558998       3.69817003       2.06336518       2.35633217      -0.76049012 
O       9.49519998       6.49291998       6.74063998       2.12679788       1.75881280      -4.58805209 
O       4.12892000       8.39506995       6.09954996       1.57033388       0.86445086       0.75179292 
O       3.83442002       6.82946003       9.21106996      -1.35190072      -0.12205661      -1.60781941 
O       1.63247003       1.36798003       9.43516005      -1.39351094      -3.15791778       0.17356021 
O       6.57018999       4.04838995       1.01176001      -2.04576970       1.52231887       2.93267289 
O       9.27214998       9.36466003       6.44973997      -0.18764385      -2.18300695      -1.52671177 
O       8.56863004       2.03533002       8.52198003       0.48695700      -0.21432909       0.18784568 
O       3.81462002       5.86752004       6.59157997       0.94798349       0.67171684       0.00361343 
O       9.41053001       4.05384998       3.99289001      -3.02091346       0.93865267       2.08426665 
O       9.20417001       6.71711003       3.90189998      -2.76497366      -0.67736137       0.64909728 
O       4.05018999       6.67514995       3.62431001      -4.22282808       1.60682298       0.27826256 
O       9.18416004       1.38803004       6.20151996       0.44005723      -0.57080089      -2.02349771 
O       6.28792003       1.59015004       6.76321998       1.86778711       0.54903888      -0.31656770 
O       6.00314998       2.32372001       9.73415003      -0.84593016      -1.67035707      -0.05315153 
96
Lattice="10.56831994 0.0 0.0 0.0 10.56831994 0.0 0.0 0.0 10.56831994" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.02540639908955536 -0.004759600203248704 0.0059430100192359525 -0.004759600203248704 0.0090447828734164 -0.002845801917720756 0.0059430100192359525 -0.002845801917720756 0.011494582988487458" pbc="T T T" energy=-930.22307007 free_energy=-930.22307007 config_type=crystal 
Hf      10.55205878      10.46780000      10.21629998      -2.40436926       3.44269465       5.09365395 
Hf       5.41053002       0.13001697      10.06570005       0.59548290      -0.30895849      -1.48889239 
Hf      10.48699999       8.09775005       7.79103997      -2.12490401      -0.24245470      -1.60201471 
Hf       7.85763000       2.27672999       4.74681004       1.10707832      -1.24041664       1.93421799 
Hf      10.36809995       5.32136997      10.22990004       0.70907245       2.18238248       1.83284703 
Hf      10.51738074       7.94348999       2.33310997      -0.70455369       2.52013657       0.23059322 
Hf       2.23396000       5.62368004       2.85102000       1.24483897      -1.54297686      -1.70383357 
Hf       7.82973999       5.07516003       2.73476996       0.08253964      -0.63366307       0.02675147 
Hf       7.86987995       8.00561005      10.48439998      -0.06137082       0.22707341      -0.33797467 
Hf       5.32416000       7.88446000       7.33621002      -3.04764094       5.81906930       4.04029523 
Hf       4.97645002       7.99472003       2.13078995       3.95433670      -0.01586544       2.67208508 
Hf       5.50874998       5.57494000      10.52560004       1.16028230      -4.47747869       1.78875716 
Hf       2.68621001       8.10522999       4.92378998       0.63732861       0.93453167       0.46487766 
Hf      10.41240002       5.78656997       5.40627004      -1.16800495      -0.79120590       1.93494368 
Hf       5.06727004       5.27125003       5.26052995       0.81735335      -1.66479235      -2.43925493 
Hf       2.48009998       5.63827002       8.09092999      -1.66734188      -4.98612534      -0.84068433 
Hf       2.87415997       8.02213995      10.24740001      -2.63013698       0.57509255      -2.17639733 
Hf       2.69114996       0.47567501       7.91367000       0.29496421       0.88764712       0.94254594 
Hf       5.18011000       2.43475998       2.50792002       2.62350218       3.31278639      -0.49620000 
Hf      10.55489437       2.63981995       7.59655995      -1.42287649      -3.19049848       2.51559865 
Hf       0.02396610      10.34240001       5.13048001      -2.17010258       1.71459536      -1.94803213 
Hf       7.72097000       5.17530997       7.91204998       1.58588340       1.07977490      -1.01983133 
Hf       8.11835996       0.63012001       7.51930997      -2.30827740      -2.53587058       2.73443310 
Hf       7.91420000       2.74673003      10.45570001       0.53224310      -1.59012445       2.23772026 
Hf       7.67429005       7.98267003       4.88418003       2.23116676      -0.01680093       0.72852338 
Hf       2.19471000       3.01301005       5.08613005      -0.92865570       0.12909604       0.54875308 
Hf       4.96266999       3.11846001       7.85817004      -2.55619091      -1.56739047       0.53135916 
Hf       5.28677003       0.34111704       5.03541004      -1.42261307      -0.80727018       3.52163660 
Hf       2.83204004       3.05443998       0.04570355      -0.37447348       1.23385104       0.30461194 
Hf       2.64056005      10.47909996       2.01166998      -2.53853030       1.77681037      -1.16200383 
Hf       0.10330702       2.80394997       2.60316997      -0.24774411      -1.18884741      -1.46877676 
Hf       7.55471003      10.56754243       2.11630004       6.86393885       1.80488163       3.82974215 
O       9.28867003       6.36771998       8.71245997       1.13117823       1.15573741       1.59702405 
O       0.68530197       9.88912995       8.64269004       3.25312046      -1.14463611      -3.63380988 
O       8.86097995       4.14953003       6.58671999       0.04697236       0.35108238       0.62125378 
O       6.60789996       3.70033997       3.90632995      -2.53439691       2.06510096       0.53188507 
O       1.16223999       8.87191996       6.04129005      -1.35589744       0.52903348       0.35470399 
O       6.70628002       9.21459002       1.16288001      -1.76190472      -3.07478108      -6.43217892 
O       4.29252997       6.95346003       0.46371399      -0.75497562       2.64172433       2.36022028 
O       1.44481996       6.55013997       1.08746998       0.21316093       1.06890936       1.27603414 
O       6.40034999       3.91099998       9.65084002      -0.30100114       0.60056548      -4.79825110 
O       6.46448997       1.19069002       3.63499996      -0.64295975      -0.59126425       0.01659956 
O       3.17949998       4.65311005       4.36384002       0.35333344      -1.09647747      -0.17744167 
O       3.64074004       1.88183003       1.49897996       1.55802369      -2.88027630       0.93346226 
O       4.16394004       1.78624000       9.29596999       0.97693965      -2.61884876       0.99770103 
O       1.18818998       1.54709002       3.93260998      -0.30475652       1.23502843       0.50656743 
O       3.40135005       9.58778001       9.14989996      -1.43262841       1.07731756      -2.68872025 
O       8.99535995       4.14404000       9.45189002      -0.18136770      -1.21482850      -1.37355594 
O       4.07731004       4.53774004       1.09257997       1.73076847      -0.67829760       0.04316769 
O       4.39244001       0.91928605       6.95054000      -0.52408479       0.93118500      -1.05708488 
O       1.14509998       7.11751005       3.87520001       0.68882266      -2.14263108      -0.05860938 
O       1.38697003       6.34090995       6.54669998       0.87748981       1.73116895      -0.61605407 
O       5.91451999       9.14002999       9.02976997       0.62174395       1.00560632       0.77746266 
O       6.46291001       6.69270005       6.66587005       5.28860078      -5.10149319      -2.19355720 
O       1.52985995       9.53640001       3.33230003      -1.20062064      -0.63931967       1.05913782 
O       1.27298996       1.36862998       6.56041998       1.00474284      -1.54445507      -0.11946377 
O       9.45057004       4.77886999       1.44908998       1.10289174      -1.02639003      -0.18386918 
O       9.43695001       9.74494002       1.49405998      -0.04989786      -0.65200609      -0.27823430 
O       3.99092005       1.92320004       4.35047997       1.35625011      -0.85005033      -0.59982859 
O       3.40331998       3.82549995       6.50715998       3.19032188       0.18340492       2.81426042 
O       6.69871004       6.80912003       9.21353995       0.29654818      -1.53848293       1.15009002 
O       6.48858003       1.28048998       1.13335001      -3.38235338       0.90348189      -0.47589402 
O       9.09933995       2.10475003       1.38488004       0.53354842      -0.90789356      -1.67222707 
O       9.53420001       8.59245997       4.08392000      -0.13056855       1.67866465       0.42355707 
O       3.99203997       9.56167003       3.39224998       1.09101682      -0.77557890       0.45207235 
O       9.34159005       7.10940996       0.95667402      -0.19109677       0.47695663      -1.07477813 
O       9.14872001       0.65869400       3.79151995      -1.23183791      -0.58385068       1.31584802 
O       6.70972001       6.46276004       1.65285005      -1.61388505       0.74612513      -3.75311757 
O       1.98758996       3.93599004       1.88511001      -3.56048527      -1.59846703       0.54551505 
O       0.46802999       4.41125997       4.21055003       2.84096352      -2.87511296      -2.59713553 
O       3.83529002       4.17737998       9.17524004       1.90102886       1.62557129      -1.93094586 
O       6.64152000       6.73775005       3.89936004      -0.66465231      -2.23784582       1.82864789 
O       1.41028998       9.25040003       0.61214404       1.00937581      -0.28913701       0.95465089 
O       4.13423999       9.46569996       0.59694405      -0.61093276      -0.31311780       5.55497196 
O       1.28434002       1.38257995       1.25576001      -0.63994745      -1.10414037      -0.76436925 
O       1.55779002       4.31763004       9.57621003      -3.69791722       5.75319172       0.85672463 
O       0.91196199       3.87383997       6.71931996       2.49619598       3.78410733      -2.91075519 
O       9.08627001       9.29781004       9.56120999      -0.95279447      -1.98368967      -0.82814998 
O       6.47266002       9.41331998       6.57585998       0.21265931       0.27467053      -3.43352266 
O       6.17201996       4.03838998       6.60681998      -0.05474920       2.00504625       0.83153806 
O       1.27142997       6.97144995       8.92329996       0.06634417       1.77210788       2.12584726 
O       6.67704002       9.16748004       3.22035996      -0.78009001      -0.75718175       5.20145610 
O       9.08810002       6.99705995       6.47039005       0.41727547       1.30590937      -0.54055223 
O       3.65123998       8.94654995       6.36305999       0.54344982       2.55687361       0.44965885 
O       3.94231000       6.70848997       8.55731999       1.31363476       2.18818026       0.94625752 
O       1.73214003       2.38535996       9.04690999      -1.13126625      -6.10686657      -2.65859641 
O       6.76679000       3.78802997       1.36321995      -0.15913329       0.43452465       1.12497880 
O       9.19372002       9.71253998       6.95966004       2.21459066      -2.28438237      -1.69203908 
O       9.34137002       1.48157996       9.03404000       2.96801723       0.48504209      -0.61744051 
O       4.34549997       6.86522999       5.86736996      -3.39436768      -0.14586633      -0.60071468 
O       8.87188995       3.10417999       3.50108000       2.90820069       4.18659067      -1.88342868 
O       9.19393001       6.27776001       3.99343002      -2.29512712      -0.74170372      -2.59622840 
O       4.21524997       6.44379995       3.41083997      -1.69814370       3.20555950      -2.47808477 
O       9.30059004       1.45202999       6.24564004       1.93707675       2.33906918      -0.99645321 
O       6.76916005       1.54249998       6.31363999      -1.75104285      -0.94163488      -0.10288370 
O       7.26015003       1.08568995       9.44485004      -3.82162990      -0.69651285      -1.06336934 
96
Lattice="10.56986603 0.0 0.0 0.0 10.56986603 0.0 0.0 0.0 10.56986603" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.026743978169276254 -0.004054807195199337 0.007830846254475566 -0.004054807195199337 0.018069594534180836 0.0010627505032184278 0.007830846254475566 0.0010627505032184278 0.01722915329785344" pbc="T T T" energy=-929.83770407 free_energy=-929.83770407 config_type=crystal 
Hf      10.39320002       0.12909104      10.45669997       2.03299823      -1.28341584       0.82261395 
Hf       5.23784997      10.42330004      10.28970000      -1.84991111      -4.68949144       2.61317294 
Hf      10.33000004       7.90358001       7.99328002       5.90455935      -0.89186961       0.04919995 
Hf       8.40545004       2.48968005       4.78145002      -3.87392702       0.87958070      -0.24597543 
Hf      10.03520003       5.65603995      10.50980002       1.12133851      -1.92608154       0.89179468 
Hf      10.46829998       7.92757001       2.64222002      -0.12985000       2.33913611      -0.87798187 
Hf       2.79439005       6.11973998       2.80313999      -1.21494448      -3.12763508      -0.55146171 
Hf       7.75195000       5.00696002       2.55194004      -1.58449165       0.18742091      -3.46030133 
Hf       8.00555005       8.19445004      10.30029999      -6.25501142      -2.66743714       1.99450089 
Hf       5.36064000       7.91743996       7.18374000       0.56921632       2.10997281       2.16313286 
Hf       5.30350004       8.20354002       2.35984996       3.35335000      -3.60444006      -3.51713997 
Hf       4.80925004       5.17711996      10.38380003       1.91301470       4.62607361       1.18554049 
Hf       2.24028004       8.29383997       5.32268995       0.73537547       0.81613851       2.66292948 
Hf       0.20023998       5.29032999       5.18477000       0.14280640      -0.58826154      -4.01860707 
Hf       5.61184999       5.02078001       5.11396004      -0.28930710       2.49021543       1.22382389 
Hf       2.76600996       5.25869998       7.34255996       0.32797376       1.12728640       6.19464723 
Hf       2.40882998       7.84360997      10.43990001       1.84766406       1.81808943       1.15753265 
Hf       2.35093005      10.53685222       7.72720002       3.14020789       0.26880557      -0.64401142 
Hf       4.93150999       2.81531003       2.46957997       1.40972487       0.76875881      -1.17290140 
Hf      10.42780005       2.96757001       7.88830000       0.55390854      -1.71200766      -1.12539712 
Hf      10.50099997       0.39643403       5.34516001       1.06474449      -1.84412546      -0.59962994 
Hf       7.55616004       5.17211999       8.03572997      -1.52294104       1.61698221      -2.50887664 
Hf       7.71836002       0.14637003       7.70577004      -0.87858148      -1.10933489      -1.51784153 
Hf       7.70416004       2.84523998      10.20249998       2.22578271      -1.35650193       3.91422854 
Hf       8.21148000       7.78767002       5.16534005      -2.28246757       0.49248601      -2.39888058 
Hf       2.83470996       2.72525002       5.13744998      -1.08001615      -1.60106344       1.28153255 
Hf       5.03665003       2.34561002       7.88660005       0.38833206       1.09382308      -1.23399835 
Hf       5.58189995       0.36792002       4.94838002      -1.19141033      -1.67537072       1.94859524 
Hf       2.40611003       2.90136005      10.22679999      -1.47879208       2.39092081       2.89729628 
Hf       2.93700999       0.23726601       2.51515998      -2.00471327      -2.58159958      -2.98896339 
Hf       0.11307199       2.93158004       2.39297000       0.06084525       4.17681067      -1.42502193 
Hf       8.28455001      10.49609999       2.69561000      -1.86132886      -1.65460914      -2.19254436 
O       8.76565998       6.77493003       8.98349001       0.78735499      -0.49752479       1.12186593 
O       8.80113002       9.72510997       9.54036996       2.47807088       1.82982077      -2.12573200 
O      10.27619995       2.86025004       5.35574995       0.52250421       0.70770879       2.52664936 
O       6.34874004       3.81801001       3.90782005       1.12693978      -2.09903150      -1.31531889 
O       0.73567895       9.26629999       6.31422995      -0.39082689       2.37546073      -1.05137392 
O       6.82106000      10.29140006       1.39073995      -1.58878536       1.22423577      -2.81430145 
O       3.78431000       6.54469996       0.92100602      -1.19271896       0.88116563       2.42159803 
O       1.24537005       6.83280005       1.59195997       0.20217930       1.17945676       1.23690255 
O       5.92383005       3.70003001       9.30359999       3.08117853      -1.86372138       0.05356028 
O       6.84746003       1.11632002       3.74224997       2.37211980       0.87395489      -0.51554594 
O       3.83651996       3.92412005       4.02891996       0.79637420       0.77560596      -1.30111632 
O       3.48103000       1.63132998       9.15712004       1.69746995      -2.09012790      -2.72592300 
O       3.60855004       1.21167997       6.21495005       0.61131097       1.91381088       1.16680937 
O       1.51896997       0.74752302       4.33258999       2.78958714       1.94588871      -1.49751155 
O       1.23903003       9.54540999       8.81301995      -3.41318136      -1.63127926       0.87903624 
O       8.94783997       4.08852005       9.12935998       0.47321789       1.28143938       0.02582729 
O       3.80751001       3.92882998       1.16372999       1.37493459      -0.99502286       1.31948588 
O       4.24538003       1.33248995       3.72211004      -1.69645113       1.77666796       0.05458246 
O       1.93184997       6.51000004       4.64421997      -1.20019282      -1.93147546      -0.72209214 
O       1.60894997       7.28280005       7.03786000      -2.42900580      -2.56178850       0.46912565 
O       4.10584004       9.37274002       8.82934997      -0.08621409       1.15477322       0.57336769 
O       6.80229996       6.47568000       6.14701002      -0.70793808       1.16755659       2.47282205 
O       1.77804003       8.75581002       3.45271999      -0.25517322       0.51091340      -1.26627761 
O       0.66332695       1.28691998       7.06411998       1.68956035      -0.44787422       1.13517626 
O       9.08255006       3.95891003       1.09793997       2.31334337       1.37709449      -0.61245417 
O       9.98188003       9.78531001       1.67298000      -0.08810558      -1.39154650      -0.82354545 
O       4.10139996       1.19657997       1.19935995       2.45440868       0.54785744      -0.65336021 
O       4.26699002       3.74193996       6.64183005      -2.20055918       1.28195830      -1.35696464 
O       6.24284002       6.26149995       8.94026000      -1.34132103      -0.26001860      -1.34073567 
O       7.11190001       3.24776003       1.70536998      -4.42290173      -2.75922717      -1.67924807 
O       8.84364001       1.29891995       0.52832503       0.25906170       1.00983159      -0.33668851 
O       9.56290005       1.52353996       3.30626001      -0.32384152      -0.65926131       0.97994470 
O       5.01866002       9.41569004       3.69378005      -2.17571500       2.64796901       2.17677036 
O       8.97683998       6.94247996       1.16655003       1.16063638      -0.08589422       0.47573849 
O       9.10084998       4.01106999       3.70152005       0.63122754       1.22154568       0.29447247 
O       5.99994999       8.14864997       0.29663801       1.87945706       1.88639380      -0.65985753 
O       1.01863997       4.53543999       0.40216004      -0.28114472      -1.37453176       0.15616047 
O       1.10391998       4.61887999       3.33291996      -0.10208226      -1.96269075      -0.76749912 
O       3.56627999       4.21597001       9.29296005      -0.07356259      -0.35103144      -3.02906614 
O       7.04407000       6.23908000       3.82384003      -0.51979422       0.72118328       2.27776288 
O       1.91467003       9.90634998       0.52450096      -2.65345544       1.04461314       1.30872519 
O       3.89603000       9.12130997       1.20148999       0.94255160       0.92173954       1.74782206 
O       1.88046003       2.16742999       1.83938003      -1.01062455      -1.13500278       0.78977534 
O       1.44088001       3.89320996       8.53457998      -1.60802917      -0.35815419      -0.43929690 
O       1.65211001       4.30897004       6.08327996       0.56740512      -2.25539236      -1.23779585 
O       6.69951002       8.97958001       8.43759998      -0.20897113       0.21223840      -0.26443235 
O       6.78147003       9.40692001       5.70853001      -0.42401011      -0.95172908       1.10867712 
O       6.70644999       3.76909997       6.68513004       1.59001532       3.72648350       0.19534150 
O       0.56505098       7.25145997       9.88575005      -1.86668997       0.02580425      -1.45714872 
O       7.42796003       8.54834004       2.88815998       0.66127286       0.33579500       1.61290056 
O       9.68276001       5.76418004       6.69313999      -1.48751104      -0.37879391       1.68496565 
O       3.62306004       9.41630002       6.32142000       0.66578582      -1.49169550      -0.05819315 
O       3.04190999       6.71788003       9.03676002       0.62207942      -1.25938644      -0.22936119 
O       0.90364099       1.63042002       9.84568001      -1.43024799       1.21465674      -1.49543068 
O       6.38619996       5.77483996       1.10063000       0.24665302      -1.88725531       0.62493339 
O       8.77977001       8.34470005       7.09266000      -1.63288051       1.89541441      -3.49171391 
O       8.68100000       1.87387997       8.23954997      -0.09373974      -0.52262044       1.79316981 
O       3.91609002       6.62588996       6.75503998       3.71676206       0.89002256      -2.61534034 
O       9.64537999       6.76039002       4.04994997       0.79782115      -0.06729268       0.62214432 
O       9.53300001       9.39768004       4.02620001       0.10186474      -0.03678266       2.58088453 
O       4.42342995       6.61421998       3.86065002       0.10469563       0.48518205      -1.08095812 
O       8.70645002       0.91158499       5.97043999      -0.05748773      -1.52920216       0.28720251 
O       6.44730002       1.62452996       6.33247999      -1.70989873      -2.59534473       1.84979012 
O       6.23224003       0.93291096       8.93053002       0.66106852       1.49720121       0.41928541 
96
Lattice="10.57136153 0.0 0.0 0.0 10.57136153 0.0 0.0 0.0 10.57136153" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0576162012050251 0.0257089507394215 -0.007192893280545866 0.0257089507394215 0.024309768264220575 -0.002747181392399956 -0.007192893280545866 -0.002747181392399956 0.05592127244077684" pbc="T T T" energy=-933.61156804 free_energy=-933.61156804 config_type=crystal 
Hf       0.29188903       0.03359843      10.13880002      -2.81680677      -1.97004747       1.83002974 
Hf       5.15283998       0.05657814       0.09218967       0.52099966      -0.29390894      -0.55454798 
Hf      10.44910003       7.98623000       7.86647000      -2.91897155       0.42829689      -0.37895707 
Hf       7.75796005       2.59725995       4.79419998       4.32696756       1.84246460       1.25817191 
Hf       0.11871301       5.33508000      10.04659999      -1.03750690      -1.42889691       2.00236096 
Hf      10.22240004       8.07440995       2.51912998      -0.44730741      -0.25426629      -2.49866232 
Hf       2.70901002       5.59106002       2.54214002       0.66559978      -0.28394389      -0.68990725 
Hf       7.87334001       5.54020004       2.27144995       2.02405520      -1.49890299      -0.96344359 
Hf       7.49761998       8.33734001      10.51370004       2.01322666      -1.02727196       1.27514869 
Hf       5.29171004       7.91863005       7.78167003       0.90081038       0.17044460       0.49788279 
Hf       5.44057997       7.77759995       2.86583004      -2.90163357       3.18454943       0.30406595 
Hf       5.23773996       5.27244997      10.32279996      -1.19361101       0.24579003       0.91330775 
Hf       2.31129003       8.13613000       5.20319000       2.05343577       2.12422382      -0.33060131 
Hf       0.31297203       5.45522997       5.24685998      -5.27682457       1.20249196      -2.41142033 
Hf       5.48884997       4.98788995       5.24868999      -2.37365845      -2.90103852       2.86695522 
Hf       2.48787997       5.72177004       7.64002002       2.06861031      -1.87405009       0.77430102 
Hf       2.69399996       8.00064997      10.47659995      -0.85745744       0.60894467       1.37439614 
Hf       2.70793005      10.54516633       7.74854002      -0.84238079       1.79061768      -0.33848821 
Hf       5.36784995       2.75667999       2.32236998      -3.05064279      -1.15528135       3.12644248 
Hf       0.03778035       2.84812005       7.74200998      -1.43075873      -0.29034022      -0.89596139 
Hf      10.51319864       0.03336015       5.03055998       0.64991655      -0.33343799       2.47665666 
Hf       7.69168005       5.42491997       7.81989998       1.90206270       0.49573000       0.98123113 
Hf       7.62038002      10.55770005       7.87917001       3.31099412      -1.91868837      -1.77385444 
Hf       7.97631004       2.85316999      10.45540004      -0.01605102       1.64515881      -1.25511366 
Hf       7.98308999       7.77050001       5.26354000       0.08260421       1.58142948       0.97142416 
Hf       2.35329999       2.74216002       5.09453998       4.05337193       0.59496438       1.13453281 
Hf       5.35246999       2.30654000       7.64467998      -1.51522347       2.40131627      -2.14023023 
Hf       5.27182002       0.16342099       5.17118002      -2.38061402      -3.38235222      -3.37643626 
Hf       2.99792998       2.50361999      10.30290001      -3.08058673       4.78075030      -4.35145949 
Hf       2.34353998       0.15111899       2.46768000       1.27898722       0.27395190       1.06774523 
Hf      10.51150003       2.72069000       2.22609004      -0.56948658       2.59457958       0.95406638 
Hf       8.19580005       0.18260695       2.54990004      -1.15105012      -0.76784942      -3.00429200 
O       9.06762996       6.69497001       9.02997995       3.87212494       0.46516608      -0.15292176 
O       9.22130997       9.65339999       9.05646999       1.70409691      -0.55557047      -0.26094881 
O       9.13822996       3.70893999       6.06835002       2.54456267      -1.65522166      -0.14986485 
O       6.69335999       4.06060003       4.05685999      -0.72081441      -0.02091465       0.18624600 
O      10.45670000       8.66118997       5.90980000      -1.81114404      -0.06899866       0.62294694 
O       6.41828005       1.85754003       0.86752102      -1.49893287      -3.51437955      -2.65690185 
O       3.60157999       7.21896999       1.51884005       0.35700140      -1.71656896       1.49790148 
O       1.26960995       6.56214000       1.05046002      -0.90993805      -1.66835521       0.12281653 
O       6.81078995       4.52830001       9.60302999       1.60370604      -1.15667552      -1.01495598 
O       6.51929998       1.32282005       3.37128997       1.47513736       0.09402448       1.12647790 
O       4.07031998       3.75415001       3.77669999      -1.76390651      -1.81903045      -0.63808075 
O       3.80504001       0.79668402       9.25329003       0.98142463       1.48350808       1.08053121 
O       3.95230997       1.14223001       6.50348998       1.35908803      -0.23695202       1.08015394 
O       1.64637000       2.09832995       3.47709999      -1.54498036      -2.78494670      -2.14264985 
O       1.49109995       9.17535002       8.81745996      -1.82088099       2.23035868       0.87458287 
O       9.21256005       4.16059000       8.81239998       2.76637413      -0.16296352      -0.64062025 
O       3.54549998       4.33864999       0.96555803       1.04542750       0.17179870      -0.08118167 
O       3.79667997       1.09219005       3.85282997       0.04547481      -1.49828207       0.15021110 
O       1.57775002       6.70987002       4.02317995      -0.10537295      -0.94285702      -1.49545471 
O       1.20720995       6.88724003       6.58069000      -0.18206787      -1.45027220       0.42887496 
O       4.15230004       8.90655001       9.18099999      -2.78704274      -0.89961761       1.01661936 
O       6.29456996       6.53475997       6.28458003       1.08956554      -0.13201570       0.92888624 
O       1.09609997       9.44659995       3.86371001       1.75091344      -0.38525227      -4.06516000 
O       1.53475999       1.52894004       6.71723995      -1.79484034       2.37586249      -1.18401192 
O       9.25401004       4.61526003       0.76785898      -0.49695947       0.12560069      -0.03263404 
O       9.09279002       9.56979004       0.98939096       0.71309538       2.36315255       1.71434435 
O       3.72651996       1.56446996       1.13226999       1.57766564      -0.92838061       2.90982810 
O       4.06035002       3.76198000       6.50098996       0.32726493       1.83383771      -1.94902984 
O       6.69386995       7.05945998       9.16151000      -1.83803287      -2.53127052      -1.83571350 
O       6.47260998       4.02206002       1.53556003       1.05189078       4.07808597      -1.19285741 
O       8.87901002       1.73279003       1.16793998       1.34376434      -1.03346142       2.18299605 
O       9.71411006       1.59752999       3.98763999      -2.31858072      -1.69970026      -1.52246862 
O       4.19167001       8.82283000       4.32875002      -1.86169450      -0.64521978      -1.26736853 
O       8.72597001       7.34181005       1.13169998       1.15296069      -2.96699482       2.54785546 
O       8.71952000       3.65690997       3.04589997       0.29961823      -0.03125774       0.15832536 
O       6.57324998       9.47026004       1.65537997      -0.03994741      -0.12182052      -0.70822336 
O       0.93987597       3.37466001       0.48813801       0.46051921       0.70815763       0.21706699 
O       0.76455903       4.25897998       3.75179999       1.51720910       0.13935652      -1.08936697 
O       4.50153004       3.50530999       8.92847004      -0.92275700      -0.92579497       3.73404267 
O       7.01814996       6.98249000       3.51866003       0.86678535      -1.95470593       1.00461196 
O       1.18260003       9.18817002       1.20560004       1.29487694      -0.48861560      -2.13305284 
O       3.92172004       9.67317996       1.38153001      -0.98153866       0.46730334      -0.87037070 
O       0.69173905       0.96329999       1.44828996       1.18942449      -0.83013717      -0.66311387 
O       1.79857995       4.01134003       8.68087998      -2.44273794       1.27325544       0.38638073 
O       1.35117001       4.28236997       6.31032996       1.06599192      -1.39654878       0.98462161 
O       6.37099996       9.40514996       9.30776003       0.73791784       2.06045277       1.04422287 
O       5.73007998       9.49083000       6.79572999      -1.93305285       1.70131506       1.05266553 
O       6.88509996       3.78343003       6.92103001      -2.32446818      -0.30247582      -0.33087066 
O       1.57582001       6.92706002       9.05922996      -1.94684702      -2.33902762      -0.14520213 
O       6.57549999       9.18533002       4.66427002       1.34388880      -0.04871334      -1.78029531 
O       9.06095996       6.24110002       6.40405005       0.61019513       0.39383252      -0.71625844 
O       2.01515998       9.89562995       6.02314000       0.35149344      -0.22661076       0.75356241 
O       3.98654004       6.06670004       8.94465997       0.82216382       1.19083940       0.45506762 
O       1.42200997       1.36301998       9.16508005      -0.93378963      -0.27038138       0.36617756 
O       6.02324001       6.70204997       1.10703002       1.04389706      -0.18029202       0.21379973 
O       7.89805004       8.58287997       7.09695005       1.13250948       0.12634720      -0.44147301 
O       8.76987995       1.68267998       8.99087998       1.61453160      -0.10424609      -0.36017134 
O       3.64292998       7.47513998       6.55656995       0.15664526      -1.50116420       1.71547968 
O       9.40272003       6.39249005       3.44280005       1.41815371       1.23822220       1.10459634 
O       9.04788002       9.33333997       3.73518995       0.68330369       0.08200732       0.06435304 
O       4.46245998       5.89568004       4.01977999      -1.96474065       5.42967521      -3.80074747 
O       9.41006004       0.69579898       6.43438996      -1.81225859       0.13931943       2.07181776 
O       6.56066001       1.23895998       6.07816003       2.71095018       2.32201822       0.94148407 
O       6.36005997       1.09145999       8.77405004      -1.31535793       2.11676809       1.73707850 
96
Lattice="10.57278843 0.0 0.0 0.0 10.57278843 0.0 0.0 0.0 10.57278843" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.01812007722063997 0.0038475063672580587 0.0006717574429856517 0.0038475063672580587 0.01262175814917496 -0.0033547424049392297 0.0006717574429856517 -0.0033547424049392297 0.019487464674406513" pbc="T T T" energy=-926.96722964 free_energy=-926.96722988 config_type=crystal 
Hf       0.29322698      10.55303624       9.64795998      -4.83000664       4.23283360       3.39804505 
Hf       5.14609997      10.22339996       0.04416021       1.92663470       1.21912458       0.40654238 
Hf      10.52159996       8.01215000       7.79608999      -1.99207298      -0.83755114      -1.59230231 
Hf       7.74176997       2.98309005       4.60774004      -3.58871270       1.18473705       2.87826605 
Hf       0.07368134       5.19193005      10.49389999       0.02770036      -0.66660686      -0.21737946 
Hf      10.33600005       8.48925004       1.98103997       4.52765242      -2.31515463       2.93448338 
Hf       2.49435001       5.53931001       2.36767003       1.48200485      -1.53903893       1.59674697 
Hf       7.92273001       5.38200003       2.32221000      -1.86488742      -4.16107731       3.91457729 
Hf       7.96328003       7.67739997      10.46520005      -0.59202247       1.73004692      -0.34352707 
Hf       5.59701999       7.75845002       7.75395003       0.36793272       0.19297987       0.29127717 
Hf       5.14357001       8.01204004       2.69468003       2.94134141       2.27936162      -1.53783865 
Hf       5.24719000       5.23017997      10.56811251      -0.67763110      -2.27246041      -2.08074874 
Hf       2.60507005       8.28792998       4.98750001       4.17930331      -2.04634975      -3.79001848 
Hf       0.33735696       5.58029003       5.06071001      -0.93349719      -4.73594017      -0.41971252 
Hf       4.85758000       5.32024998       5.30965995       1.66379658      -5.67153635      -2.06901985 
Hf       2.50202998       5.79915003       7.89579001      -0.84061465      -9.33873485      -0.63092329 
Hf       2.52288998       7.99111004      10.25939999      -0.11970266      -0.41083653       2.95502434 
Hf       2.88648004       0.09407889       7.85163995       2.11517265       1.79086348      -1.02215798 
Hf       4.76716997       2.46296003       2.57240002       2.47824814       2.07076148       4.95506155 
Hf       9.99988000       2.52481000       7.66680995       5.45203921       7.95284082      -5.00504800 
Hf      10.51019995       0.05278295       5.20622996      -2.33454016       6.09626098      -1.27245909 
Hf       8.19304999       5.44477998       7.71376001      -1.01632867      -2.81256755      -2.44633300 
Hf       7.79438005      10.45930001       7.61431003      -2.42746282       4.71345371      -0.32244116 
Hf       8.01022004       2.51461001      10.56080238      -0.35049412      -2.30521530       0.20879879 
Hf       8.37128003       7.91455999       5.16069000      -1.10378644      -0.31060751      -3.97767898 
Hf       2.37718998       2.77855005       5.50052004       2.98605800       5.11714542      -2.68055998 
Hf       5.46517996       2.72974997       7.99353999       0.14314982       2.15612003      -2.98105316 
Hf       5.33995004       0.72931200       5.58144997      -1.42686136       2.96346571      -4.43113885 
Hf       2.66997005       2.52101997      10.17880002       0.73396106       2.18797320      -0.15759143 
Hf       2.62480997      10.52741954       2.23028003      -1.45938880       4.52903860       2.47916446 
Hf       0.07517623       2.56345005       2.57209997       0.05437140       0.45421789       2.73824461 
Hf       7.97808003       0.04849273       2.47950000      -2.49920900       2.22611762      -0.52164041 
O       9.00633002       7.01832004       8.94141003      -0.72922044       0.26666507       1.08497904 
O       9.31923000       9.52406001       8.42279996       3.92903842      -0.47003902       4.33246553 
O       8.72653999       3.74820004       6.38511997      -0.19223133       0.63832092       1.53309368 
O       5.41467999       3.01809000       4.80708002       2.20094632       0.69763297      -1.04072130 
O       9.01756001       9.34714005       6.40125997       1.24912775      -2.18947739      -5.14994426 
O       7.13171997       0.88548805       0.61619596      -0.58245177      -0.05146492       0.91226982 
O       3.52556999       6.39804003       0.84287496       2.02289158      -0.38200215      -0.82517324 
O       1.43444996       7.35097000       1.34016997      -2.40482675      -1.50143241      -0.49680773 
O       6.80585003       3.85149999       9.85232997      -1.96506835       2.35490240      -0.03732006 
O       6.65241000       0.96379499       3.62432005       0.45565895      -0.06782042       0.04644887 
O       3.40414004       4.40911995       6.57976998       0.33462682       1.36372301      -0.02672100 
O       3.91464998       1.03188004       9.39994002      -0.32423754      -0.80668255      -0.37121113 
O       3.89320002       1.70790995       6.84264999       0.56722460      -0.13646588       0.99050356 
O       0.94138702       0.95962804       3.55230995       1.14106409      -0.23700697      -0.30090270 
O       1.35319005       9.32733996       8.74185002       2.53919395      -0.80953302      -3.90355818 
O       9.65904005       4.49169004       8.88446002      -2.21498310      -0.33224981       0.37543673 
O       3.39415002       4.10320996       3.95238997      -0.37186926       1.66393905      -1.30925750 
O       3.81396003       1.42295004       4.14636998      -1.99141499      -0.80591804      -1.43071896 
O       1.58167001       6.50671000       3.89660995       2.26179271       0.55873988       0.62486270 
O       1.84160001       7.00965004       6.70254997      -2.24722803       4.49117736      -3.22657900 
O       3.90402000       8.91174998       9.15184003       2.08997568       2.26162349      -1.28652298 
O       7.43147998       7.02081004       6.57135996      -3.26088503       0.40695637       2.68793717 
O       1.92779001       8.93178002       2.96196002      -1.90068563      -1.33097736       3.55713945 
O       1.14846005       1.67852003       6.31499997      -2.35488509      -4.45454070       0.93256789 
O       8.85318000       3.84904002       1.18119996       2.82730797       3.33076483      -1.30705259 
O       9.56025997       9.24308996       0.31441697      -2.24241007      -1.41133982       1.08999235 
O       4.28556000       0.95547399       1.36111995       0.64908159       0.86381081      -0.14169483 
O       4.24344002       3.79744005       9.02563001      -1.96195549       1.51845510       4.35310616 
O       6.56719999       6.20828004       8.88099997      -1.15884864       2.58354657       2.16160720 
O       6.63664999       3.50728996       1.97914998      -1.44843507       0.78153488       0.57764886 
O       9.41002001       1.47834997       1.54286999      -1.43724739      -2.32765362      -0.66402447 
O       9.19234998       1.88897995       4.13173999       1.32918071      -3.64923983      -0.42828478 
O       4.41034999       9.44801005       3.66369005      -1.75350726       0.06992581       1.99709326 
O       9.30511998       6.60706998       1.47786003      -0.33263802       2.14239145      -2.68894988 
O       8.94781006       4.19057005       3.65241998       1.16788536       2.86690072      -1.43554776 
O       6.73219998       9.49463002       9.10732002      -0.94140314      -3.42176572       1.22201135 
O       1.06615005       4.17409997       1.54820005      -0.36067278       1.95398510      -0.70310148 
O       0.73787300       3.56059003       4.41927998       0.39100387       0.21307652      -2.93359515 
O       3.80419997       3.68088997       1.39895003      -0.54867245       1.87279034      -2.76987726 
O       6.85638997       5.56537003       4.31639998      -0.62645943       0.02243698      -1.12930059 
O       1.43011004       9.98544001       0.53294202      -0.53923249      -3.37615982       0.41805740 
O       3.59235999       9.28461998       1.18157001       3.96118585      -4.57403416      -3.66994546 
O       1.60572998       1.53608998       0.91343098       0.08890893       2.27461197       0.94077678 
O       1.40084996       4.38941005       9.32156003       2.55292929       0.75204571       1.50718237 
O       0.97649396       4.34019996       6.49244002       0.52379713       0.95999277       2.56885726 
O       6.29152003       9.82921003       6.39795999       2.04409158      -3.68115676       1.57983610 
O       3.90166004       9.90318001       6.32006000      -2.58395702      -1.85710845       0.99836316 
O       6.03863003       4.39159999       7.02797004       1.37208499       1.73704832      -0.20022657 
O       0.79420196       7.09577999       9.31200001       1.97220177      -2.18549188       0.84962281 
O       6.41222004       9.51192002       1.56443996      -1.17272915      -1.30140946      -2.86498993 
O       9.74560000       6.43322997       6.41665004      -0.81146423       1.95998681       2.80634888 
O       1.29750000       9.37259995       5.60072004      -1.47624299       0.47498805       2.97099439 
O       3.86597001       6.50535996       8.95333000       2.53678217       1.44046306       2.03562142 
O       1.50331000       1.94111997       8.65192000      -0.42899800      -3.12637399       1.01479830 
O       6.41548005       6.64863002       1.35227000       0.74521655      -1.13460832      -3.11364599 
O       7.05002995       8.34954999       3.36412003       2.28478966      -0.49190475       3.13176637 
O       9.46041997       1.56373000       9.08831004      -2.00702939      -2.11836602       6.51983938 
O       4.47801996       6.97600003       6.38604002      -0.31953862       1.29704653      -0.41309318 
O       9.86491001       7.23402999       4.07578002      -0.90378585      -0.40231843      -1.02657656 
O       9.74446004       9.64450004       3.62336998      -2.16310752       0.00922235      -2.16736707 
O       4.17222996       6.58936003       3.49141999      -1.17223862      -1.35626842       1.79426827 
O       9.41289000       1.05360004       6.78343001      -1.39156138      -3.50965340      -2.81034019 
O       6.86371004       1.76918000       6.47403998      -0.17883077      -1.51843932      -1.53204812 
O       6.70400997       1.56005997       8.73866000       2.24081734      -2.48346769       2.53294373 
96
Lattice="10.57415399 0.0 0.0 0.0 10.57415399 0.0 0.0 0.0 10.57415399" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.026481142259344097 -0.010229317796321698 -0.0003150462336343187 -0.010229317796321698 0.04192603466929831 -0.008950423744692806 -0.0003150462336343187 -0.008950423744692806 0.04182228188833649" pbc="T T T" energy=-934.11708871 free_energy=-934.11708871 config_type=crystal 
Hf      10.54858569       0.24882803      10.37550000      -1.11672675      -0.97626864      -1.71054710 
Hf       5.15187999      10.53046370      10.22690004       0.47650581      -1.71619903       1.30859766 
Hf      10.57119555       8.11988999       8.08437004       2.25640122       0.58831331      -0.51933611 
Hf       8.10186000       2.90608004       4.76162000      -0.04887702       0.83308247       1.08114622 
Hf       0.04106304       5.15708998      10.57031473       0.51755496       0.48190451       0.13958713 
Hf      10.37539997       7.92308997       2.39713998       2.41138632      -1.66018212      -0.18352701 
Hf       2.68876997       4.99954999       2.45729000      -0.34330347       6.63213909      -2.80036845 
Hf       7.95195995       5.74411001       2.70414003      -1.64781833      -0.87307984      -0.31683897 
Hf       8.06191000       8.07587000      10.11240004      -1.46434211       0.77641926       1.98122632 
Hf       5.26857000       7.70304997       8.07341997      -0.53107854       0.90750301       0.92232334 
Hf       5.48182997       8.20833000       2.30292998      -3.32054729      -2.11641928      -0.82905009 
Hf       5.35055999       4.81177998      10.34589998       1.24012846       2.47704751       1.47609201 
Hf       2.20508998       8.05366999       5.13679997       4.05201881      -2.30973112      -3.96370113 
Hf       0.35875799       5.17390997       5.34264999       0.04972714       2.16243257      -1.57783028 
Hf       5.11157004       5.54839997       4.76105999       0.24450078       3.01799197      -0.42142113 
Hf       2.70912997       5.48270001       7.76246001       0.35352535       1.81198762       0.86011494 
Hf       2.52324999       7.74739998       0.12812702       4.30041964      -2.09982749       0.41282761 
Hf       2.62705001      10.54877824       7.49379000      -1.74751263      -1.83545469       3.26251672 
Hf       5.13869000       2.56391998       2.54120004       2.61469434       1.27979614      -3.75471745 
Hf      10.55329034       2.54843001       7.61895996      -0.96489646       1.17043701       2.01828046 
Hf      10.53519711       0.10235305       5.15815004      -2.55052525      -1.99482783      -0.87996711 
Hf       8.11303001       5.12152000       7.55894995       1.09926342       1.42339731       4.06112056 
Hf       7.93104004      10.56350000       7.50634004      -1.59030248       2.53003622       2.44168810 
Hf       7.73838996       2.32990000      10.38470005      -0.61318186       1.79574026       2.20187581 
Hf       7.80106995       8.20848998       5.38819002       2.69789239      -4.59056591      -2.95172281 
Hf       2.79114999       2.58173003       5.14026005       0.72838597       1.71842147       1.76111044 
Hf       5.56188995       3.03240999       7.52369995       0.21565096      -1.41330163      -1.01426439 
Hf       5.04679003       0.09914348       5.35264997      -0.46102605       0.16701216      -1.14137563 
Hf       2.50439997       2.60399000      10.56050815       0.68397956       1.45784445       0.35021906 
Hf       2.38414995       0.21180601       2.50942005       2.04171763      -3.53446813       0.31602583 
Hf      10.29219999       2.75226005       2.31462997       3.99394798      -0.45538291      -2.08324277 
Hf       7.66793003       0.07346235       2.33877996      -3.25043092      -3.35832235       2.09848107 
O       9.66353999       6.88952997       9.65222004       1.13338758       1.21810230      -1.15900631 
O       9.26304000       9.67472005       9.07821003      -1.93545178      -3.50284643       0.34327744 
O       9.68114998       3.71825004       6.03560000       0.22858398       1.44580022       0.46778627 
O       6.54332001       4.36555005       3.86683996       2.34411993      -0.41007220       0.12155786 
O       9.45963996       9.41859997       6.79180004      -1.14670018      -0.62174753      -2.95106416 
O       6.79205002       1.27234005       9.11167997      -3.04129608      -0.70109759      -0.77702463 
O       4.37290998       6.13380999       8.77085997      -0.34565819      -0.79842266       0.14937954 
O       1.29625001       6.40819004       1.42509999      -1.28273521      -1.67623802      -4.69066156 
O       7.17892003       4.04727002       9.40835996      -1.29359051      -1.65799657      -2.56621935 
O       7.05221999       1.72833003       3.69281000       0.12992676      -1.54582237      -2.04718686 
O       4.50431996       4.01237003       6.16330004      -1.26812269       0.36818985      -0.30546555 
O       3.40216003       0.06419685       9.38476998       0.62600924       1.99486770      -1.49276902 
O       3.74999999       1.37543001       6.85041998       0.84498310       3.23929772      -2.10134330 
O       1.53579002       4.40359004       4.01621003      -0.18895321      -1.10624350       3.10895283 
O       1.15918000       9.84315998       9.10988998      -1.27550052      -0.84467794      -0.37078542 
O       9.67367997       4.13466001       8.74989999       0.13581994       0.60182846      -2.34164125 
O       4.14634995       4.21721000       3.42862999       0.53218200       0.24505163       1.36829766 
O       4.56709998       2.03644999       4.29616996      -0.61967537      -3.05896123       2.56458473 
O       0.96880600       9.51908997       3.84059998      -0.58289283       0.25193382      -0.79669210 
O       1.17606005       6.75150998       6.41940996      -0.92181953      -2.57937496      -0.59282975 
O       4.39016002       8.43494998      10.11310004       1.00627131       0.32612928      -1.46536306 
O       6.47008997       6.97156997       6.44328999       0.42833946      -0.11602824       1.02107478 
O       2.06303003       2.06343005       3.47636003       0.55964608      -1.89874086      -0.27789348 
O       0.99358399       1.37702005       6.23019002       2.29033651       0.55008589       0.75598550 
O       9.59993001       3.54916001       0.66586198      -1.17126483       0.08471573      -1.25991132 
O       9.11400005       9.20211997       0.99170602       1.32355930      -1.33184703       1.20742790 
O       3.58157001       1.21775003       1.06339001      -1.03294656       1.00762831       1.53838854 
O       4.29195996       3.67085996       8.96324000       0.44405777      -1.49102348      -0.74318952 
O       6.82707997       6.23729003       9.30360996       0.97445122       3.92445231      -1.99415383 
O       6.45361999       3.68790000       1.29872003       0.28776795       0.33133211      -0.69854024 
O       5.95271005       1.21386995       1.12647996       1.79771048       0.41680182       0.61748117 
O       8.84607002       1.33197997       6.34416999       2.28432068       0.64684099      -0.47890812 
O       3.74684995       9.31742002       1.96791995      -0.56474171       0.82101253      -0.78050507 
O       9.37340995       6.25318003       1.39009996      -0.23003673       0.91505541      -0.10981261 
O       9.44116004       4.15535998       3.27317999      -3.03005843       0.77322457       2.50850071 
O       6.49884998       9.42247995       8.93644996       0.99667298      -2.54066680      -2.12975800 
O       1.54615999       3.81590003       1.49989997      -3.25445763      -3.25575142      -1.75953821 
O       1.64338997       6.87586996       3.44248002      -0.39184149       1.55626778       4.38045849 
O       3.88601999       3.82960001       0.69569400       0.54883022      -0.04416258       3.04349300 
O       6.87226999       6.98047996       3.85564996       0.91746902       1.62038977       1.79036180 
O       1.39205999       8.69511001       1.25326005      -3.10815129       4.34421343       1.07300421 
O       3.97821001       6.43769997       1.32133000      -1.35311209      -0.48026509      -1.42798909 
O       0.85600801       1.07142996       1.50931995      -0.37434641      -0.33254432      -2.29136538 
O       1.83680002       4.54945003       9.59526004      -0.96340863       1.19071976      -0.36412022 
O       1.70178002       3.89659002       6.97389004      -1.42310407      -0.56005436      -2.09563796 
O       6.76199002       9.65513999       5.74921997      -0.08204823       1.84989594       3.18590482 
O       3.28733000       9.96991003       4.70508000      -0.51088817       1.14744922      -0.47782923 
O       7.07633001       3.99618999       6.28613998       0.65879626       0.77687637       1.74458963 
O       2.08046998       7.44714001       8.58057998      -1.51543376      -1.20011180       1.59264033 
O       6.61362005       9.44455000       0.90415805       0.93150053      -0.81078259       0.74392489 
O       9.34099996       6.77339002       7.12287004      -2.33339391      -1.36662272      -1.29638272 
O       1.31014001       9.17312998       6.39657000      -1.44219211       2.72458562       2.17282875 
O       3.64951000       6.59283000       6.14929996       0.21294735      -0.27034542       0.42806594 
O       1.24570999       1.84506002       9.23406005      -1.76304106      -0.15277621      -1.37179119 
O       6.54505005       6.59774000       1.41864996       1.79348768       0.04854564      -0.57399165 
O       5.69209998       9.74629998       3.54142999       2.00191353       1.90806676       0.72737512 
O      10.16210004       1.71653996       3.89003997      -2.43395342      -2.38502540       3.05600433 
O       4.12589002       9.45607996       6.97745998       2.39969378      -2.23378228       0.27865006 
O       9.48567003       6.69993000       3.85818998       0.00207715       0.52346805       1.72736171 
O       8.82936000       9.55859004       3.86586999      -0.50250980       0.01723671       0.01715140 
O       4.42709004       7.30584996       3.72002999      -0.73559791      -2.67738104       2.53522391 
O       9.13442995       1.40535001       9.26188001       2.97422780       0.85166702      -1.55294013 
O       6.51026996       1.53837995       6.59859999      -1.69647587      -1.58083618      -0.40894968 
O       8.72478997       1.09381999       1.24239003       2.67917903       3.21304072      -1.06379625 
96
Lattice="10.57544196 0.0 0.0 0.0 10.57544196 0.0 0.0 0.0 10.57544196" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.02557499348576189 -0.006160453218367172 -0.0015346386522431523 -0.006160453218367172 0.01614999260011671 0.01668849129545356 -0.0015346386522431523 0.01668849129545356 0.03566338321143976" pbc="T T T" energy=-928.14923207 free_energy=-928.14923207 config_type=crystal 
Hf      10.31369998      10.41099997      10.48550745       0.01131962       1.32813836       0.78580958 
Hf       5.25355003      10.53634381      10.19200002      -2.96163722       3.66149420       1.84381331 
Hf      10.13870000       7.96991999       7.88915005       0.92318654       1.96467812       2.52181661 
Hf       8.23394002       2.72416003       5.15024002       0.43305672      -2.05772729      -2.97586079 
Hf      10.36300005       5.31446003      10.22730000      -0.67856910       0.77047229       1.19097461 
Hf      10.41629996       8.13931001       2.55539004       0.91123132      -0.80974929       0.94289538 
Hf       2.68151002       4.95697995       2.04839003      -5.09656253      -2.60553432       5.72812420 
Hf       8.44992005       5.27646998       2.43053003      -1.14666953      -0.96118849      -0.15080835 
Hf       7.53375005       7.81507997       0.01205801       3.70646461       1.69691253       2.98568158 
Hf       5.28031003       7.85706997       7.92228005      -1.77707172       4.54457314      -1.54138328 
Hf       5.16837997       8.12266998       2.89923002      -1.80786073       0.68433915      -1.50187051 
Hf       5.45115999       5.32499000      10.45679999       1.57824476      -1.64968474       0.36277002 
Hf       2.50529005       8.02173003       5.52209001      -1.31647551       1.70708902      -4.53538156 
Hf       0.17636495       5.72368998       5.30012999       0.88016210      -0.12708612      -2.33173262 
Hf       5.81964001       5.23044005       4.70873996      -3.90451269      -3.89152091      -0.44119291 
Hf       2.73472003       5.77600997       7.95291002      -3.80867931       5.56926600      -3.88814875 
Hf       2.69207996       7.49780000       0.14601005      -2.24846498       2.30900281      -0.69781595 
Hf       2.31800997      10.37489996       7.94425000       2.72015468       0.97764763       0.91532182 
Hf       4.96561999       2.40093000       2.52312003       6.71085893      -0.14401550      -4.18674467 
Hf       0.19818399       2.72833003       7.90115000      -1.70692543      -0.54693444       1.96319588 
Hf       0.21192403       0.45941200       5.51042995      -3.14106914      -2.18425677      -0.48223577 
Hf       7.61983003       5.18380997       7.36087997       1.11054163      -1.53538576       1.08515040 
Hf       7.57084997       0.21047995       8.08615996       3.68738701      -0.50871582      -1.21940896 
Hf       7.94727003       2.72464999      10.42359998      -0.09361840      -1.41188284       0.62664443 
Hf       7.86798002       8.14072998       5.28468001       1.85622772      -1.96354604       1.42666679 
Hf       2.61636000       3.06354003       5.06488003      -0.92525188       0.42918193      -0.29041210 
Hf       5.04397005       2.92914002       7.36717997      -0.06805831       0.00025989       0.03834388 
Hf       5.45518998       0.13862004       5.44650997      -3.00283647      -1.49497720      -0.95176267 
Hf       2.89042005       2.59350002       9.99071996       0.19558835      -2.32630806       1.45460325 
Hf       2.77170997      10.41029998       2.80061995      -0.72786295       1.14070201      -3.13237093 
Hf       0.20819302       2.34662003       2.19230001      -0.99427058       0.58917204       1.53755552 
Hf       7.75491998      10.29139997       2.67172995      -0.16870755       2.52292194       1.19855405 
O       9.24939998       6.70332997       9.30209995      -1.25384265       0.31543592      -2.21030661 
O       8.95789004       9.19246001       9.78745996       1.45806286      -0.40764927      -2.99234526 
O       9.61729000       3.36333001       3.69299996      -1.23517755       0.70958589       0.44354227 
O       6.30210997       6.56330996       1.32848998      -0.71287378       0.48252639      -0.42817774 
O       9.40531996       9.90635003       7.02532003      -1.06113134      -2.65807562       0.66195163 
O       6.39589997       1.67210005       8.92505001       1.22986876      -0.90494961       0.16659584 
O       4.04103003       6.75566995       9.16201997      -0.13544104      -2.39136212       1.44149278 
O       1.25175997       5.65452003       0.89382599       0.90846166       0.03094769       1.17101066 
O       6.09052002       4.28021005       8.49311005       1.09182388       2.31750405       1.26757348 
O       6.03786997       0.63065802       3.48248997       0.46321210       2.03872344       0.07719920 
O       4.39892996       4.52695002       6.07207000      -1.66905560      -0.90943234      -0.34561984 
O       3.89410997       1.11359002       8.76573003      -0.38801078       2.56315179       1.07982989 
O       4.15856000       1.60774997       6.12270003       1.04224312       1.72402075      -0.16792718 
O       1.55286998       4.26138005       3.81407005       0.18693392      -0.50039611      -0.48829784 
O       1.29116999       8.99360003       8.75141998      -1.88018131      -0.88820613       1.35303264 
O       9.08934998       4.18938001       6.23897003       0.65175936       1.15699179       0.09947293 
O       4.11375005       4.12643001       3.11969002       2.39127429       1.27310232       0.95781519 
O       3.77523005       1.91624005       3.77434002      -4.59155073      -3.41078728       1.65838732 
O       1.41622998       9.34096004       3.71092999      -0.78389942       0.05531945      -0.05334749 
O       1.21092004       7.30567002       6.85025998      -1.24416107      -3.37762150      -2.44031627 
O       3.93822997       9.14184002       9.44012004       0.16746445      -0.43461861       0.06835217 
O       6.33801000       6.74785004       6.50421005       1.11160820      -3.71898155      -1.31907334 
O       1.07199998       1.66500001       4.32068004       1.35712813       0.84492768      -2.46961162 
O       1.66147004       1.99634997       6.75018002       0.74411293      -1.43834974       0.41344824 
O       6.59630005       3.68363995       6.06129002       1.35127198       1.50067586       0.67591139 
O       8.94885999       9.21238995       1.46500001       1.62252110      -0.37977341       2.10198004 
O       3.54183999       0.51940501       0.81072998       0.88044308       2.12196225       1.10765677 
O       3.39157998       4.20015998       8.34207000       2.44106063      -8.84536340       3.52016356 
O       6.51363996       7.08757004       9.14873997       0.85636170      -4.17225187       0.88392181 
O       8.86358005       3.60833001       8.81497997      -1.31677848       3.01232336       0.09356806 
O       7.13078997       4.42176995       0.86303802      -0.09272432      -1.15208499      -1.88173257 
O       9.76658002       1.73215005       6.63151997      -2.92941144      -0.24062765      -2.51640761 
O       3.26136996       8.80092997       1.57325002       1.37675768      -1.88807473       0.98951317 
O       9.11651998       6.62278000       1.11826003      -0.66155359      -0.44144855       1.09568125 
O       9.49550004       3.99727996       1.23847996       1.61986775      -1.70949053      -1.51911334 
O       6.74504998       9.48199001       9.34930999      -1.86339309       0.45112440       0.26773140 
O       1.92738995       3.02287005       1.35170001       1.28101669       0.83915755      -1.01829898 
O       1.42181001       6.83429000       3.78261001      -1.56014471      -0.05779403       2.84233143 
O       4.78560999       3.28522001       0.24977100      -3.12549046       1.44308461      -0.22415034 
O       7.30755002       6.16689998       4.02632996      -0.99688759       1.51278776       0.32429116 
O       0.76025298       7.95545997       0.70847604       0.67647458       2.40540260       0.91669282 
O       3.81162998       5.86694005       0.92300395       2.10748402       2.96175554      -2.47373704 
O       1.01703000       0.58063798       1.65746004      -1.32717126      -0.61066054       0.30453985 
O       0.73503700       3.71574996       9.49672002       2.56833714      -0.53147433       0.37536777 
O       1.58451001       4.62518995       6.22311004      -0.56154401       0.40168632       1.92850200 
O       6.65956001       9.02340998       6.87463997       1.13165076       2.34449703      -1.02471461 
O       4.29555004       9.78824995       3.91218001      -1.87192644      -2.37251067       0.24529352 
O       6.84961001       3.47972005       3.49417996      -0.97127050       1.14541243       1.13910515 
O       1.23532002       6.32859003       9.12428997       0.91982241      -0.03639364      -0.29703727 
O       6.13240998       1.36326996       1.00734003       1.67907514      -0.81866779      -0.65940674 
O       9.18175999       6.54631998       6.64547998      -0.07151263       2.10581331      -0.78800158 
O       1.25574003       9.49344005       6.27622996       1.52942145       2.64285957      -0.04646851 
O       3.69430000       7.32482998       6.83529996       0.51103129      -2.08937332      -0.42979056 
O       1.24448004       0.96246505       9.50148997       1.31052301       1.35586010      -1.62973476 
O       6.43650998       8.93999999       1.48972000      -0.38649718       1.79937836      -0.86054879 
O       6.51449001       8.89106002       4.19464002      -0.04632658      -0.02311234      -0.78145286 
O       8.53829997       0.81955498       4.25369001       1.33383785       1.37890875      -0.18185802 
O       4.00751001       9.84374997       6.82185001      -0.07891416      -1.53145203      -0.85056839 
O       9.41854001       6.79405997       3.78658998       1.63022124      -2.33205598      -0.33875889 
O       9.21460001       9.08671997       4.24186000       0.21093096       0.73830535      -0.76311360 
O       3.82075997       6.91023003       3.69392002       2.62195374      -0.58803097       1.20791996 
O       9.34658999       1.39147996       9.22974003      -0.93621759      -1.75472213      -0.18547029 
O       6.83744001       1.07312997       6.34253999       2.04851306       1.76340588       1.39325454 
O       9.03888005       1.15920000       1.09648995       0.09123840       1.50181710       0.83146659 
96
Lattice="10.57665822 0.0 0.0 0.0 10.57665822 0.0 0.0 0.0 10.57665822" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.006014504146982495 -0.024433874238192856 0.008796039629490517 -0.024433874238192856 0.02042719120046718 0.002661468164396773 0.008796039629490517 0.002661468164396773 0.014434702616277249" pbc="T T T" energy=-928.67538859 free_energy=-928.67538859 config_type=crystal 
Hf      10.36579995      10.22280004      10.40890005       0.48837681       1.07131798      -0.41912130 
Hf       5.18239996      10.42920004      10.31789996       0.56837273       0.92514669      -1.11313607 
Hf      10.52311209       7.81631003       7.69560000       2.82394679       2.30381782      -0.68857767 
Hf       7.54104996       2.82825996       4.92660000      -0.06546692       0.08170412       1.82551268 
Hf       0.50273702       5.58581000      10.28779995      -0.41761117      -0.17509155       3.13736246 
Hf      10.13779999       7.67252998       2.86463997       2.91439955       3.47754135      -2.62420887 
Hf       2.60086001       5.38415004       2.76518998      -3.99271031      -0.41954472      -2.57342107 
Hf       7.91864998       5.18969003       2.35636004       4.17814359       3.12132490      -5.73320266 
Hf       7.99929996       7.68552002      10.40680005       3.30216049      -1.28735847       0.49193335 
Hf       5.23859005       8.21323995       7.99876002       1.73573450      -1.38263531       0.76627538 
Hf       5.10479003       8.09237001       2.43188002       1.76563023      -0.45914547       1.02065256 
Hf       5.08548002       5.49516000      10.25829996       0.40614892      -0.89632312      -1.34637863 
Hf       2.58352001       8.21487003       5.28830997       1.23641197      -1.74790192      -0.10867431 
Hf       0.06116545       5.16034996       5.21612004      -1.06784807       0.63057518      -1.02187069 
Hf       5.05448004       5.31836005       5.17607999       0.63965243      -1.54216002      -0.24650458 
Hf       2.68506999       5.35403998       7.68377001       3.66586105       2.54084618      -1.21829358 
Hf       2.87166001       7.99544001       0.14377803      -3.00673276      -1.87678548      -3.05909245 
Hf       2.42038997       0.28045702       7.80191001       1.61066915      -2.00610548       1.14626666 
Hf       5.06376000       2.56267997       2.25069002       1.02284300      -0.42524397       1.49462733 
Hf       0.11889803       2.97492997       7.96002999      -1.19305755      -0.53097004      -0.35833773 
Hf      10.45189998       0.32247004       5.48130003      -0.05155438      -3.30326265      -3.44652718 
Hf       8.17436005       5.13299999       7.93666996      -2.27044823       3.37737169       3.18370892 
Hf       8.01497002      10.34250000       7.71960997       0.32041547       1.74006197       2.91233169 
Hf       8.20341995       2.83172001       0.02228555       3.07303507       1.18974494      -3.09815077 
Hf       7.90961995       7.70755998       5.38306001      -1.10595443      -0.40730438      -0.09369568 
Hf       2.72044003       2.47301000       4.93481002      -0.48120906       0.66601709       3.77852795 
Hf       5.51754000       2.59772996       8.13450995      -1.92759208      -0.21184632      -0.64188952 
Hf       5.54291996       0.21780100       5.27112004      -0.11992052      -2.37423488       2.45499821 
Hf       2.34437002       2.21296996       0.05690052       4.33866293       3.43477968      -3.34638573 
Hf       2.61249000       0.02798986       2.51857996      -2.82962602      -0.68615884       0.70704561 
Hf      10.36360001       2.61760995       2.68225004       0.13793829      -0.82212426       1.23162091 
Hf       7.92235996       0.12805499       2.58275997       1.24542459      -1.20077861       1.12705425 
O       9.43706000       6.66740995       8.62999001      -4.48659881      -2.04408282       5.15441844 
O       9.05664997       9.04326996       9.24734003       1.02878794       1.93898713      -0.62557250 
O       9.06872999       3.63844002       4.13090996       1.25727483       1.39886833      -0.83630175 
O       6.32718995       7.21396998       9.76857996      -4.78733781      -3.50801745      -1.14055946 
O       9.26970998       9.41185995       6.35366999      -0.85885236      -0.31185216       1.36335201 
O       6.35669005       0.94664201       9.10866005       0.10301908       3.03230753      -0.89817043 
O       3.62696995       6.78824996       9.08831003       2.46182055      -1.77093203      -0.78512282 
O       1.57321001       6.77387999       1.57529001       2.81709441       0.54956941      -0.59191472 
O       7.03976998       3.53523003       8.84880996       2.33730508       0.65657934       1.49906601 
O       6.30865996       1.42670997       3.65582995       3.16645582       0.02412767       1.79765924 
O       3.36616003       4.38361996       6.08697998       0.51145628      -2.18551440       0.60528329 
O       3.63426002       0.94698004       9.59205997       0.62008460       1.06895520      -2.57585337 
O       4.24606999       1.70086001       6.85498000      -0.58163300      -0.79070481      -1.59957314 
O       0.74494799       4.41942998       3.27476998       1.84202456      -0.61211308       0.34516641 
O       0.78557304       9.77176998       8.37914996      -0.18905046       0.66213554       1.95928550 
O       8.96570001       4.03850000       6.74684002       2.80034730      -3.15876588      -3.20238510 
O       3.87288001       3.64565997       3.85853002       1.58874775       0.14192682      -3.14165068 
O       4.14820005       0.92710903       4.19869005      -4.54922301       0.37654930      -2.37245066 
O       0.28507796       9.75993999       3.73858003       2.65392535      -1.59617235      -0.85233275 
O       1.15050001       6.20270004       6.85751005      -0.62167291       0.46742760      -1.72845458 
O       3.79404995       9.23632000       8.93985997       0.79337711      -0.24299444       0.68320806 
O       6.88216001       6.08798000       4.95850998      -0.31584373       1.62510332      -0.78587758 
O       1.38092002       1.77935997       3.61157996       2.31654421      -1.10373538      -0.21626729 
O       1.70436004       0.90561599       5.92453996       1.94266216       0.00145523       2.13156461 
O       6.29872996       3.82177000       6.34512997      -0.77269690      -1.07148898      -1.45689013 
O       9.65472001       8.93056996       1.26236996      -1.05283889       2.67291290      -0.71200428 
O       3.71779997       1.03524997       1.24261995       1.73365066       2.48663056       3.06460922 
O       4.14798999       3.93076003       9.17856996       2.10613767       0.52365151      -1.79321309 
O       6.66546998       6.38824001       7.43657997      -1.31585736       1.39206565      -0.05031193 
O       9.97035002       4.44412997       9.13506996      -2.98744796      -3.02970701       0.11400528 
O       7.79543001       5.17699000       0.01481208      -1.30872091      -1.48513255       1.53970928 
O       9.87780997       1.65520999       6.66933004      -1.16982947       0.38300872       1.37756729 
O       4.20762997       9.17909002       0.94270601      -0.41381205      -1.49677106       2.51904016 
O       9.93481996       6.69788998       1.11185998      -1.60852777      -2.00045646      -2.03298693 
O       9.87035004       3.95885999       1.38357000      -3.47028452      -0.36227868      -2.22351790 
O       6.61484005       9.29887998       9.34719003      -0.27023844       0.10833987      -0.92859289 
O       2.22490995       4.12940004       0.62526602      -1.89162263       1.90614841       0.93990865 
O       1.31175005       6.51286996       4.19143996       0.72486298       2.20570486       0.30891424 
O       4.57909003       3.88527998       1.04944998       1.55922051       1.14048554       0.11051636 
O       7.22860003       7.15726005       1.56645004      -2.40958588      -0.11600411       3.14725739 
O       1.88973999       9.75864001       0.28257996      -2.12345681       0.12783050       2.25886148 
O       4.21624000       6.66451004       0.96687600       0.22382728       0.07530080       1.39353073 
O       1.08407003       1.63633997       1.17468999      -3.33644998      -2.66294044       3.33317785 
O       1.57187999       4.29164005       8.62237999      -1.15204395      -3.16513000       1.63570758 
O       1.01664002       3.63906997       5.73545998       0.72422716      -2.33691817       2.06705029 
O       6.70297005       9.24772005       6.81945005      -1.52521237      -1.81697460      -1.90032331 
O       3.17358997       8.76428998       3.35284000       0.05289978       1.62067913      -0.63755830 
O       6.77557003       4.19880999       3.29652998      -5.24169951      -4.21149685       2.72705280 
O       1.23145999       7.01096001       9.17728003       0.84684167       1.24744792       1.67337568 
O       6.99433001       2.35600001       1.33656003      -2.64903278      -0.25704545       1.16379079 
O       9.36535004       6.50620000       6.42690996      -1.46958621       1.92532669      -3.76828421 
O       1.19155997       8.83078004       6.39360005       1.08174192       0.30751693      -2.51261141 
O       3.85451999       6.60937995       5.95815004      -0.49864652       4.40751139       1.73773609 
O       1.31692996       1.57799997       9.05118998      -0.59025951       1.23644438      -2.19275553 
O       6.25036005      10.15590004       1.63398000       0.44208443      -0.28467175      -0.62344852 
O       5.86683001       8.79626999       4.12854999      -0.53948677       1.50652459       0.91554154 
O       9.21322999       1.15415001       3.93014003      -1.35542320       0.73224399       1.04622615 
O       3.89199002       9.64486997       6.46136999       0.43569107      -1.25325829      -1.30266546 
O       8.96314998       6.33307999       3.46990002       0.56318599      -0.24618826       3.69606759 
O       8.42992004       8.93123999       3.83754995       0.04626743      -0.41601523      -0.66896622 
O       4.23779005       6.19823997       3.41963001       1.74934041       1.26326343       0.57532168 
O       9.34708003       1.39158996       9.34181000      -0.87671519       0.56399808       0.47226818 
O       7.17015998       1.17454001       6.46111001      -1.05334622       0.42174046      -1.92024375 
O       9.19703004       1.03561000       1.40562000      -0.00196817       0.53331986      -1.41982862 
96
Lattice="10.57779362 0.0 0.0 0.0 10.57779362 0.0 0.0 0.0 10.57779362" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008187324855264796 0.00763505867654713 -0.025100456309192453 0.00763505867654713 -0.019455331481766185 0.0002634473843397129 -0.025100456309192453 0.0002634473843397129 0.013002340809091403" pbc="T T T" energy=-928.44587354 free_energy=-928.44587354 config_type=crystal 
Hf      10.54580119       0.11575904       0.04732314      -1.27906506       4.15569239       0.44937886 
Hf       5.37681002      10.40061166      10.40910003       0.01436348       2.21338951       1.01109537 
Hf       0.08422558       7.79993004       8.07917999      -0.61193130      -0.12951786       2.87761326 
Hf       7.57638995       2.63838997       5.28659995       0.11441825       0.11439028      -1.31667867 
Hf       0.13550503       5.43932002       0.03669553      -1.60638115      -2.99955312      -1.60161746 
Hf       0.19631496       7.74750005       3.00265999      -5.53796092       3.63810724      -5.66632024 
Hf       2.81406005       5.14425003       2.69849998      -1.23563840      -3.61626351      -0.96931921 
Hf       8.08057996       5.92352000       2.52286005      -5.59730731      -1.14083558       2.52973247 
Hf       8.16527000       8.31880996       0.17352796       1.10658593      -1.97309846       0.88763955 
Hf       5.67707000       7.74311999       8.06303997      -0.88832638       0.73427089       0.22469618 
Hf       5.30606996       8.06379004       2.57109003       2.86856967      -0.59322729      -0.20879094 
Hf       5.10439999       5.38674003      10.36610002       4.38891611       0.75085922       0.95158190 
Hf       2.57660000       7.96280998       4.79112002       6.58677481       4.72486804       5.92664679 
Hf       9.95124002       5.37115999       5.55547995       1.03926289      -1.16021813       3.04556672 
Hf       5.10741001       5.42942999       5.07449001       1.80855967      -3.28974119       2.29930559 
Hf       2.50964003       5.25099996       7.53790001       0.89339692       0.08185137       0.98902289 
Hf       2.81754003       7.45632999       0.09962198      -2.54374512       5.14627214      -3.86623031 
Hf       2.05892003      10.32680003       7.63407997       6.41951302      -0.91617251      -1.41770686 
Hf       4.95659997       2.54684002       2.18370002       2.94458335      -2.12208649       0.53740607 
Hf      10.43449995       2.81559002       7.47881996      -1.49304246      -0.60116704       6.47611681 
Hf      10.40800004       0.23320904       5.28869996       0.95535687      -0.40553106      -1.59039571 
Hf       7.66401999       4.96336997       8.10938001       1.64014057       4.77133807      -2.79501467 
Hf       7.87152002      10.39749999       8.03794997       1.78699992       2.57291699       0.34951067 
Hf       8.10742999       3.01448004      10.55250000       1.30545460      -1.11539509       1.36207289 
Hf       8.07097997       8.42005002       5.11875998       0.92817885      -2.44172183      -0.91402215 
Hf       2.82169996       2.45098003       4.97904996       2.23822370      -1.20398657       1.32925604 
Hf       4.95486003       2.23866996       7.66738997       2.57837591       0.71404714      -2.08172181 
Hf       5.59521998      10.26180002       5.57924995      -4.66933142      -1.46884751      -1.85081985 
Hf       2.85537003       3.04141005      10.05800000      -4.56426852      -4.29004087       0.89373489 
Hf       2.60139002       0.15458303       2.18627995      -1.48223689      -0.09729399      -1.26519965 
Hf      10.40360000       2.69563001       2.79982995       2.30286985       1.49692207      -1.40553485 
Hf       7.86458998       0.45401297       2.39734998      -0.85511362      -0.45393481       0.49489450 
O       9.10266995       7.31966003       1.66470999       2.33159904       1.18226567       1.57131486 
O       9.72722996       9.32432000       9.58758996      -2.03393168      -3.00747670      -3.66259621 
O       9.68152003       3.97959000       4.07217002       0.41420183       0.14015658       0.79196882 
O       6.25758005       5.89450998       7.02681000      -2.57078374       1.56034411      -2.20972379 
O       9.04167003       9.73083995       6.40230003       2.64721425      -1.33609850       0.82416275 
O       6.12710995       0.65220295       8.64383996      -1.40475633       1.68619743      -0.26844080 
O       4.09296998       6.62950003       9.15046000      -1.18400312       0.41818467      -0.70779528 
O       0.92367103       6.67685999       1.37909000       3.83097672       1.82017978       0.44562986 
O       7.11803004       3.45228000       8.97682996      -3.52863294      -2.43997558       0.65746837 
O       6.40680003       1.73140002       3.37355002       0.78093090       1.02259232       1.44317784 
O       3.79499005       3.97968001       6.22044004      -0.95141598      -0.37439904       0.26197171 
O       3.42358002       1.49401000       8.55496999      -1.68584562       0.50182338       0.30953006 
O       4.68702004       1.52862996       5.77445001      -0.47603455       0.26519020       2.13126154 
O       1.97863003       3.43950996       3.61343005      -0.67754908       4.43757837      -1.42094532 
O       1.78790004       8.78503002       8.79318000      -0.39859744      -2.11478139      -1.26033707 
O       8.98422997       4.00570001       6.70046000      -0.71621913      -0.08077669      -0.64414475 
O       4.50585004       3.83671997       3.65582002      -0.77794472       2.13568387       0.41289621 
O       3.70749995       1.23671998       3.44348002       0.73278927       0.70264965      -2.07886294 
O       2.01568002       9.30596002       3.62223997      -1.34682539       0.09811861      -2.79757591 
O       0.68937501       6.21486999       7.09374998       1.75628292      -1.86085436      -2.35943927 
O       4.77520001       8.85074001       9.61832998      -1.98916199      -1.95650535       0.36563044 
O       6.53193004       6.84461005       1.17456000      -0.24697643      -1.61844679       2.03112376 
O       1.14344997       1.27627004       3.17958999      -1.44153999      -1.63509227      -0.01277225 
O       2.07830003       0.69784899       5.57276005      -2.47230469       0.26408369       2.09982866 
O       6.29813997       3.49477005       6.68645003       1.76987379      -1.01665760      -1.73456387 
O       9.14428003       9.61248004       1.46298005      -0.11785917       3.15622753      -0.69789082 
O       3.70635998       0.93490602       0.55000803       3.31161027       0.30885166       1.48765726 
O       3.95556000       4.31499999       8.83268002       1.31595231      -2.36916135       0.86879972 
O       7.16096001       7.32905998       3.73012003      -4.59316308       0.60414522      -0.23513431 
O       9.60339001       3.88572001       9.26761001      -1.76851880       0.03069810       0.49679800 
O       6.39596996       3.91414001       0.85723095      -1.58796252      -0.34849612       0.02673100 
O       9.34169995       1.64042000       6.46842996       0.20566811      -1.18191699      -1.01261332 
O       3.72739001       8.80791000       1.70964996      -1.04708061       1.43260998      -0.98353942 
O       9.05242004       6.42337998       4.35563997       2.59838599       4.08506856      -2.98862442 
O       8.99653004       5.03487004       1.19749996       1.29980842      -4.80139445      -3.63301006 
O       7.19215996       8.83718997       9.03462004      -0.08250184       0.45337770      -1.20093810 
O       0.87954195       4.10563001       1.44827998       0.30567308       0.24371156       0.63815542 
O       1.43222998       6.83939001       3.95438005      -0.03194515      -7.98937075       0.78766735 
O       3.59837996       3.84197999       1.21529995       0.28082281       0.99070472      -0.74540709 
O       6.67784997       6.43392002       9.43340000      -0.37134719      -2.34899155      -0.66952797 
O       1.38972999       9.57302995       0.30901395       3.01282661      -2.66038288       3.84750323 
O       4.02115004       6.45107995       1.16224999      -0.21272784      -2.62081945       1.39568231 
O       1.48294003       1.55484004       0.27265596      -0.86423760       1.26613277       0.17698551 
O       1.34046000       4.03146995       9.26569998       1.71290736      -2.16325510      -1.58224356 
O       1.14643005       3.26521997       6.24683999       2.21342910       1.96796134      -1.10888600 
O       6.58526000       8.71409005       6.34554001       2.15321364      -2.69455424       1.17274566 
O       4.46618003       8.97105004       4.36504004       0.45806806      -0.94483595      -0.75812126 
O       7.16490003       4.63236003       3.94834002      -1.82147813      -1.14651289       2.04112638 
O       1.58146995       6.23549002       9.35541004       0.90213023       2.78944706       0.89069578 
O       6.57845002       1.16821005       0.96261201      -0.01978162       1.11200546      -0.20925637 
O       9.40252004       6.72056003       9.51627004       1.01108692       0.84090474      -0.37455509 
O       1.32080995       9.03907001       6.21823997      -1.36552559      -1.39538007      -0.01730041 
O       3.42218005       6.36600995       6.10452996       0.05350206       1.10185376       0.49745298 
O       0.66262399       0.55926900       8.39498001      -3.67163398       3.33073907       0.45875079 
O       6.53089998       9.18763999       1.10613003      -0.71486771       1.81963094       1.21308616 
O       7.17803003       9.71271997       3.96748001      -0.61577403       1.75344303      -1.24274048 
O       8.95441001       1.44664000       4.00977997       1.10471328      -0.92032949      -0.32161100 
O       4.66108001       9.40978995       7.23827998      -2.26112824       0.74406876      -0.98173643 
O       8.81462997       6.51105001       6.84841996       0.46504292       1.45702953      -0.36868015 
O      10.13250003       9.35766998       3.85875997      -2.01251314       0.43275251       2.39551216 
O       4.10403996       6.50495995       3.67754999      -0.39913628      -0.19252902      -0.50057257 
O       8.63576000       1.14123001       9.47511999      -0.07388132       0.06461627      -0.65699713 
O       7.19042002       0.53953105       6.06098002       1.33160466       4.24021270       1.82585078 
O       9.18538999       1.88359004       1.40817004      -0.02092368      -0.33853914       0.19351894 
96
Lattice="10.57885089 0.0 0.0 0.0 10.57885089 0.0 0.0 0.0 10.57885089" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.026638873546094375 -0.0017606827695385132 0.008195659223540208 -0.0017606827695385132 0.03165173042200467 0.004582877227564149 0.008195659223540208 0.004582877227564149 0.004232970548910908" pbc="T T T" energy=-935.43597758 free_energy=-935.43597758 config_type=crystal 
Hf       0.04866758      10.38210003      10.54782090      -2.66117150       3.06429141       2.18136447 
Hf       5.41874005      10.22650005       0.15064495       0.04615254       3.25245635      -2.23763186 
Hf      10.53570589       8.00302997       7.67689003      -0.94932337      -2.28608222      -0.44982509 
Hf       8.02415996       2.81953998       5.15689000      -2.89712841      -0.60387435      -2.09378452 
Hf      10.42010000       5.46329002      10.30696490      -1.60287498       0.14337029       1.50999683 
Hf       0.22919705       7.68469997       2.56309996      -0.42617767       1.30574553      -1.84581623 
Hf       3.02073999       5.21463001       2.34326001      -2.25905551      -0.95740079      -0.66788715 
Hf       7.73105999       5.12730001       2.48986003      -0.52240343       0.07931044      -1.19213585 
Hf       7.74241998       7.92962999       0.41898502       1.91610664      -1.94599678      -2.73622631 
Hf       4.81783000       7.86528995       7.85842999      -0.14792625       1.92618851       1.13298515 
Hf       5.02111003       8.20738999       2.83723004       0.26774724      -0.50171504       0.27917648 
Hf       5.35443999       5.14346005      10.02869997      -1.57508497      -0.68210945       0.43148647 
Hf       2.49658998       8.20382005       5.39107001       2.60152871      -0.34417126      -2.32172142 
Hf      10.46128093       5.56809004       4.85062000       2.12649562      -2.26387270       3.60458551 
Hf       5.32138997       5.46861997       5.34716005      -1.37002825      -2.26380182      -2.09995506 
Hf       2.29977998       5.63897998       7.42715996      -0.56634268      -1.05752355       4.06331200 
Hf       2.50815996       8.20958997      10.55330000      -0.31496924      -6.25902826      -1.88476185 
Hf       2.65439999       0.22026596       7.84152001      -0.13389273       0.22369974      -0.46923520 
Hf       5.47266003       2.46728000       2.27828005      -0.50479595      -0.54882477      -0.45677455 
Hf      10.31200001       2.93865001       7.99393004       3.02606124      -3.49974002      -2.95351442 
Hf       0.01384973      10.43140001       5.14823005      -2.03739974       3.49580811       1.92080773 
Hf       7.76952003       5.07531003       7.63159001       0.48541735       2.95399330       1.02302832 
Hf       7.91857001      10.08079997       7.72511996       0.51571028       1.91868587       1.57641269 
Hf       8.11367999       2.71516999      10.53499404      -1.68255400      -0.03347045       2.50386254 
Hf       8.00548998       7.90017995       4.92644000      -0.11254031      -0.58279939       0.60684664 
Hf       2.94639997       2.59056001       5.00833998      -1.61924936       1.83493207       1.06817066 
Hf       5.52944000       2.39507004       7.87005001      -2.75303410      -1.68477134       2.17380222 
Hf       5.19971996       0.05434863       5.35091004       2.96666583      -0.28822072      -0.79129110 
Hf       2.41887996       2.51417996      10.13580005       0.79311436       0.37281437       0.64192834 
Hf       2.67948995       0.13269000       2.23807005       0.09559810       1.37327519      -0.75326947 
Hf       0.23870902       2.82652995       2.85985005      -0.12728882       0.73941510      -0.55115834 
Hf       8.20668005       0.31786601       2.65534002      -1.43047527       2.85204076      -1.35877178 
O       9.03105001       6.70233000       1.29904004       0.74328880       1.33171970       2.30556025 
O       9.26981997       8.70340004       8.82135000      -4.48860900       4.14366367       1.34031442 
O       9.12056000       4.31268998       3.95687001       1.12252108      -0.82095185      -1.44477069 
O       7.19764005       6.15044002       5.65652998      -2.60007849      -1.31291447       2.29545392 
O       9.24732996       9.20785995       6.02087005       0.14531899       0.82944256       2.92965208 
O       6.09637004       0.89796703       9.04102005       0.27915437       0.85940644      -0.71760636 
O       3.57540998       6.59076999       9.15768002      -0.16492213      -0.43281447      -0.07644544 
O       0.86026401       6.63219000       0.98789499       1.60506495       1.12656043      -0.29013541 
O       6.67160997       3.76059996       9.19727000       0.04643152       0.17091641       0.47403420 
O       6.70174996       1.66010998       3.47435001       4.17147076      -1.55313915       2.12427575 
O       4.00302004       3.34173004       9.33410003       3.17226376       0.69512013      -2.19507907 
O       3.36451001       0.77145995       9.49994996       1.18547552       0.62649425      -0.56497522 
O       4.06983998       1.24532001       6.61053995      -1.17336311       1.10307701       0.51378713 
O       1.23420005       4.01675001       4.37911998      -0.59676174      -0.76506385      -0.74757126 
O       0.90884696       8.84974004       9.72115003      -0.30792964       1.55630058      -0.85854508 
O       9.17989000       3.82321999       6.39278997      -0.94587203       1.44473242       2.09059856 
O       3.86920001       3.91808001       6.18486995       0.07247797       0.70630667       2.35635777 
O       4.44490002       1.90276999       3.90312998      -2.37026097      -1.95080356       2.92236393 
O       1.16043002       9.12828002       4.20209000      -0.49840057       0.48769127       0.49443584 
O       1.06450999       7.04364001       6.13560996       1.49036928      -1.50511319       0.84725360 
O       3.72965999       9.09403004       9.05371002      -0.29183038      -0.90272401      -1.85120457 
O       6.37841003       6.10040999       0.77576004       0.38406726       1.35560265       0.13120368 
O       1.83995002       1.66677000       3.41076000      -0.71723839      -0.90833391      -1.01575940 
O       1.12207005       1.41543004       5.97021004       2.98658256      -0.86966841      -0.78445560 
O       6.34435999       3.79872000       6.81213001       2.44903288       2.25757269      -2.48652202 
O       8.92630003       9.61124000       1.21380000       0.60652774      -1.68596599      -2.56949210 
O       4.27334004       1.16457005       1.30864998      -1.19688463      -0.51046644       0.60543360 
O       4.32567002       4.29129997       1.13680998      -1.81826069       0.24726405       0.82246751 
O       6.95421995       6.76936998       3.42634995      -1.70508938       2.35540154      -0.77838365 
O       9.07847997       3.88966003       9.15541996       0.92741166       1.26064745      -0.93110830 
O       6.71861995       3.65266003       1.46782995       1.73116452       0.56990569      -2.01632942 
O       9.62375002       1.18228000       7.16688003      -2.21936319      -0.63646977      -0.32080827 
O       3.62324003       9.35697002       0.79914903       3.28312641       3.59110711       4.12658464 
O       9.50024998       6.89645995       3.83281003      -1.51792726       1.20117520       0.49126103 
O       8.97620999       4.29352004       1.12035997       2.13782076      -1.74960871      -1.40006539 
O       6.45215996       9.09629000       9.42645001       1.34667000      -1.79123948      -0.72663180 
O       1.06838999       4.09599999       1.56077996       1.48769671      -0.53888081       0.88012273 
O       1.38335000       6.58951999       3.78421005       1.18004705      -0.36791673      -1.35651287 
O       3.87215997       4.47530004       3.98373003       0.56779405       1.70461734      -2.21452791 
O       5.91730997       6.34948004       8.32444995       2.04308870      -2.33425886      -0.47995234 
O       1.10490004       9.44364001       1.61484995       0.12302945      -1.02319983       0.00942704 
O       3.41108996       6.99601001       1.54313000       1.29774826      -0.14111548       1.62682954 
O       1.65529999       1.13595003       0.75273602      -1.53187442      -1.46163242       0.90904969 
O       1.50975996       4.14497997       9.52565995      -2.74198683       1.20726379      -0.46366486 
O       1.00890004       4.39579997       6.99801999      -1.95274831      -1.96116958      -1.06324095 
O       6.54474003       9.14187998       6.64576002      -0.33365380      -1.26493543      -0.66806189 
O       3.59509003       9.39021998       3.57427000      -0.88566356       1.81317115       0.10733784 
O       6.70950003       4.06972001       3.96613000      -1.16717610       0.54441018       1.77584769 
O       0.76492201       6.51182002       8.74948004       0.27121279      -0.53196624      -0.32473501 
O       6.77998998       0.98952001       1.08629004       0.30082427       0.11167802      -0.48187818 
O       8.44660003       6.44052005       9.60790999       0.65366091      -1.78686389      -2.23046333 
O       1.23587002       9.40666005       7.28009997       1.73808673       1.04938484      -2.73895593 
O       3.73151997       6.50470998       6.37847995       0.35762673       1.25497175       1.69489146 
O       1.17978000       1.57129005       8.83007004      -0.84319310      -0.45596617      -1.01780959 
O       6.30297002       8.82744998       1.41717005      -0.92479046       0.82544844      -0.13250709 
O       6.19917002       9.76640995       3.80640004       0.17434641      -1.42215657       0.52822124 
O       9.26328002       1.57154997       4.23732995       1.51617384      -0.79327080      -0.59675094 
O       3.95458995       9.33404999       6.43382998      -1.40057369      -0.18447228      -0.13257788 
O       9.10545996       6.82996997       6.53518003       1.28716391      -1.08638606       0.48484784 
O       9.00685999       9.57852004       3.76771000       1.11347238      -1.78236684       0.59100821 
O       4.50167004       7.52688002       4.60665001       0.98838071      -2.45070674      -0.43678988 
O       8.84541995       1.16891997       9.62059001       1.48537162      -0.96275276      -0.08263462 
O       6.76438004       1.09655005       6.40681996      -0.23929155       0.77660603      -0.62885436 
O       9.80579004       1.39086997       1.53669002      -0.98510325       1.00501119       1.49317963 
96
Lattice="10.57982417 0.0 0.0 0.0 10.57982417 0.0 0.0 0.0 10.57982417" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.03640649096531867 -0.0014183358878781614 0.00013193831270265905 -0.0014183358878781614 0.0037012131453016896 0.0002606172531661998 0.00013193831270265905 0.0002606172531661998 0.033787920730593154" pbc="T T T" energy=-929.92144258 free_energy=-929.92144258 config_type=crystal 
Hf       0.24775599      10.53648826      10.41360000      -0.34393154       2.61888928       1.34078288 
Hf       5.47797999      10.57459996      10.52364001      -0.11510514      -0.24169073      -3.33441652 
Hf      10.27720004       8.00711002       7.88515004       1.04271342      -2.20363900       0.04842952 
Hf       7.98497999       2.56984003       5.37415997      -0.02067981      -3.57132619      -2.01223268 
Hf       0.24727599       5.05293005       0.01112796      -0.22964540       0.71396556      -2.44162681 
Hf      10.42049995       8.09685000       2.54543999       3.76610206       2.57184281       0.42642849 
Hf       2.37592000       5.41740002       2.57467004       0.25220489       0.67134616       0.20826522 
Hf       7.73157998       5.17464003       2.20676004      -0.02631303       0.07222374      -2.17141923 
Hf       7.99294004       8.00128001      10.41260000      -0.13659988      -1.43120535      -1.52681364 
Hf       5.59287001       8.16489001       7.66803999      -0.41369760       1.05038348       2.59412442 
Hf       5.30724004       8.12651000       2.37199996      -1.19427528       0.37953199      -1.75064190 
Hf       5.24599005       4.97423997      10.56810934      -3.13387145      -1.90024975      -0.63036169 
Hf       2.53916002       7.90837001       5.51841005       2.28603044      -1.28852870      -2.85414328 
Hf      10.28419997       5.28568999       4.90141999       2.18305272       1.02138664      -0.35831614 
Hf       5.32597998       5.29319003       4.77936003      -4.00118206      -0.50732738       2.29992263 
Hf       2.64089995       5.55932995       7.86005004       0.67084190      -0.49271209       0.74891522 
Hf       2.87084999       8.00422998      10.18439996      -0.75645577      -1.38602124       1.92558369 
Hf       2.65963005       0.05584243       7.75228999       1.12820750      -0.83541905       1.15937542 
Hf       5.37184997       2.53797000       2.61475995      -0.94160134       0.88139721       3.67025083 
Hf       0.37688497       2.76111997       7.61352004      -0.08612798       0.52454825       4.09825518 
Hf      10.41169997      10.51519996       5.69271995       1.58914792       0.47883323      -4.42410316 
Hf       7.79555004       5.18594003       7.56606995       1.91909458       0.99248606       2.24929020 
Hf       8.06988996       0.21589295       7.97166000      -3.52671655      -2.60799942       4.90786235 
Hf       7.69675004       2.73024995      10.24250002       6.08507826      -3.48387600      -4.18427549 
Hf       7.64848001       7.83008005       4.98129999      -0.04218447       1.39603542      -1.91975528 
Hf       2.50979001       2.50130996       4.94047996      -1.17728231      -0.39361236      -1.80094714 
Hf       5.17266002       3.12465003       7.61895997      -1.15153015      -1.43349202       1.99970632 
Hf       5.39020004       0.24175999       5.37149004       0.24952585      -0.66803720      -2.10257399 
Hf       2.92166997       2.33047997      10.43050000      -3.39616252       3.30149517       1.21336686 
Hf       2.87319999      10.13070005       2.34177997      -4.78892303       1.25060506       4.73556783 
Hf      10.31949998       2.77480000       2.49202003       4.70612769      -1.70580201       3.05478205 
Hf       8.18800999       0.19044096       2.45179004       1.90806484      -1.48374302       3.52158065 
O       8.93264002       6.10296999       0.57127803      -0.32508102       1.04287331       1.71352854 
O       9.64630005       9.12574001       9.48312996      -1.81183440      -1.88743098      -0.13792935 
O       8.94469002       4.35459003       3.62928998       1.24994428      -0.06379487       1.78419455 
O       6.61448004       6.25866998       6.39540003      -1.95388400       1.17025348      -2.74851305 
O       8.89526997       6.89162002       6.06503000       2.73597951      -1.61652720       0.25137889 
O       6.84038997       1.29813998       8.99681004      -4.32306972       3.92331727       1.24445218 
O       4.09900000       5.95338005       9.40707002      -2.09599955       2.69248585      -0.28696321 
O       1.25450995       6.59785004       1.41618003      -3.06841683      -2.55414964       0.41378087 
O       6.70822998       3.66135996       0.90885101      -3.50648209       1.68428155       6.13904157 
O       6.60748001       3.57121002       6.43877995       2.39078485       2.41911229      -1.66657338 
O       3.96499002       3.54661997       9.01783998      -1.07415857      -0.86936639       2.47599230 
O       3.77497997       0.90404904       9.64072004       1.43646852      -2.64510763      -3.36725675 
O       4.44716995       1.68725999       6.42591002      -1.06796667       0.30666522       0.04134884 
O       1.12875001       4.18257003       3.73676999      -1.53887826       1.95218673       0.86020313 
O       1.37316998       9.54433002       8.72645004      -1.33961510      -1.06490379       1.62412843 
O       9.40799004       1.24150999       7.28438996       6.11510462       4.40323692      -4.14574895 
O       4.46748004       4.85379004       6.98994996      -0.39503859      -0.45371584      -1.82236192 
O       1.15843002       1.75412004       3.85191000       0.78467685       0.81006450       0.03768144 
O       1.33180001       9.81244001       3.85416996       0.64251420      -1.43788345      -1.91597109 
O       1.06483000       6.76089000       6.87195996       0.91560506      -0.85804875      -0.12397693 
O       3.85425999       9.12635999       8.81076003       0.80952322       0.82152188       2.10644362 
O       6.14648999       6.23574995       0.97456304       2.50556106       1.47114913       1.68790338 
O       9.29249000       1.37713995       4.27421003       0.12005120       0.68600794       1.46770864 
O       1.48328997       1.29328998       6.38231004      -0.74645648      -0.53816975       1.50369186 
O       6.47349003       3.95987996       9.19089004       1.14874386       1.97640739      -3.18761645 
O       9.26638005       9.42324001       1.28439002      -0.62898566      -2.93358463      -0.94112455 
O       4.51551001       1.77838000       1.16676004      -1.09202312      -1.38223482      -2.00386560 
O       3.77999005       4.25589001       1.46190000       1.14915704       0.68138181      -1.01741365 
O       3.91527997       8.67608997       3.74748005      -0.34754387       0.37488329       0.00827253 
O       9.39758997       3.80712000       9.15754000      -0.67566289       0.49491181      -0.64200716 
O       6.35236998       4.11312999       3.54288000       1.05935747       0.91169412      -0.27823159 
O       9.21476997       9.43336004       7.03590004       2.28006518      -1.50500931      -3.02946226 
O       4.21323999       9.56236005       1.06981003      -0.57035112      -0.04987155      -0.22679179 
O       9.09808001       7.07382998       3.49481999      -1.91751002      -3.38085422       0.19539084 
O       9.05261999       3.49537998       1.33459996      -2.48694711       2.14845635      -2.50666372 
O       6.40880001       9.58286999       9.03000996       0.97776617      -0.18202099      -1.51475625 
O       1.15269004       3.88228997       1.21588005      -0.10831491      -0.04876829       0.98566302 
O       1.31592001       6.97739996       4.09878999      -2.42362597      -0.63825040      -0.69509738 
O       3.87100997       3.60195002       3.95521997       2.36768034       0.20733190      -0.17957949 
O       6.67637001       7.23483005       8.97822002      -0.12366797      -1.90568185       0.11149442 
O       1.47712003       8.96480005       1.00735002      -0.03328561       2.03698279      -1.14592905 
O       3.49100004       7.32697005       1.58085997       1.46029118      -1.36911826      -0.79553937 
O       1.56589999       1.23082998       1.02573998       1.98609007      -1.58183218       0.15448727 
O       1.52665995       3.80278005       9.12747997      -1.11559282       3.04371977      -0.72805778 
O       1.35072002       3.98610005       6.38499996       0.39574008       0.20686782      -0.29201540 
O       6.84637001       9.14516997       6.37142001      -1.31632523      -1.26965427      -1.68033601 
O       3.27702002       5.84608995       4.90619001       3.03718822       0.81834501      -1.25036431 
O       6.52544003       9.45224005       3.47106003       0.65263628      -0.26214495       1.00465551 
O       1.53920995       6.51539005       9.46110002      -0.38581850       0.73083947      -0.26114119 
O       6.86078004       0.62794600       1.09841999       1.14478661       3.04630207       0.91805082 
O       8.89578002       6.57980002       8.61574996       1.95398241       0.45427386      -0.90094556 
O       1.43474995       9.23301996       6.24821002      -3.57036953       2.81551314       2.41628841 
O       3.76396003       7.53160004       7.37542998      -2.71923101      -3.83128390      -3.61240823 
O       1.39366998       1.54803998       9.12705995      -0.89588296      -2.16955864      -2.09337579 
O       6.43010005       8.78489997       0.73210701       1.08428049      -0.54430333       0.99716488 
O       3.79815000       0.94116402       3.85847997       1.81102227       0.19977843      -0.42033201 
O       6.89229999       1.54418998       3.92416004      -2.70652073       0.65027550      -1.81204489 
O       3.94012997       9.78999999       6.17859996       0.23668665      -0.22621221       1.03395072 
O       9.17005001       3.91336005       6.24848997       1.51545235       2.41983593       1.01277114 
O       9.43983002       9.44177005       3.70431003      -1.46804161       0.48495208       3.25504287 
O       6.27456003       6.66898000       3.24749999       1.53444523      -1.77204368       4.94427255 
O       8.98994003       1.19040003       9.73129000       2.73796821      -2.01639295       0.90508275 
O       7.18939996       0.94469705       6.37962995      -1.76367504       1.47004306      -1.88705342 
O       9.85831000       1.03865001       1.77427005      -0.94720332       0.21167851      -0.66748122 
96
Lattice="10.58072243 0.0 0.0 0.0 10.58072243 0.0 0.0 0.0 10.58072243" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.020265546805811937 -0.0003627367685029698 0.004385630646945463 -0.0003627367685029698 0.036750158606483646 0.004481884984949096 0.004385630646945463 0.004481884984949096 0.04932485022190632" pbc="T T T" energy=-933.64056507 free_energy=-933.64056507 config_type=crystal 
Hf      10.45100002      10.22040005       0.22122397      -0.48629839       2.39368320      -6.79452511 
Hf       5.53503005       0.07596610      10.36719996      -0.12467717       0.35621572       1.24200109 
Hf      10.33409997       7.80526001       7.02601996       0.91684899      -0.24391750       3.78629494 
Hf       7.85187000       2.72061005       5.14779000      -0.51843843       1.67012578       3.90373750 
Hf      10.50879997       5.09502002      10.41550001       0.22830008      -1.25465469      -2.41638605 
Hf      10.30750003       8.08674997       2.57731998      -1.30282713       0.82317765       2.20737521 
Hf       2.63262997       5.36925002       2.50337999      -1.11473289       2.64719305       1.55982793 
Hf       7.94668004       5.49521003       2.15213005      -0.93159607      -0.66161282       1.78773121 
Hf       8.49061996       7.66618996      10.35020002      -2.89916320       2.71210657      -4.66857723 
Hf       5.12947995       7.94600997       8.00406999       1.10419119       0.07259685      -1.24243993 
Hf       5.36649999       8.29497002       2.23886002      -1.31017163       0.73240543       1.32197923 
Hf       5.22172999       5.59028005       0.17966500      -1.67155234       0.30578666      -4.88000796 
Hf       2.69209003       8.02013999       5.24497997       1.04697284       0.21386807       1.25346109 
Hf      10.57530732       5.18941001       4.88450004       0.11899501       1.09665217       1.35804806 
Hf       5.38821999       5.40039004       4.79864997      -0.37917161       1.52559223       1.44278072 
Hf       2.52941999       5.14272998       7.89038002       1.35149670      -0.24983806       0.10358860 
Hf       2.48394997       7.76221996      10.55627821       1.44006238       2.44562290      -1.60582808 
Hf       2.61639004      10.56215030       7.90737001       0.31775231       0.32258985       2.21861775 
Hf       5.54948004       2.99963005       2.07958999      -1.33015015      -2.07586199       2.03657856 
Hf       0.08273141       2.59624995       7.98451004      -0.60652220       0.10605321       0.93785066 
Hf       0.06974611       0.39927901       5.31193996       0.74814036       0.92149153      -0.58319115 
Hf       7.46207005       5.38944005       7.56622001       1.14026308      -1.99950787      -0.78307025 
Hf       8.08379996       0.17545197       7.98813997       1.82328697      -2.49016538       0.38954710 
Hf       7.78934999       2.55917997      10.31780005       2.76857944       3.02849773      -4.16275231 
Hf       7.49236001       7.95511002       5.34432004      -1.69897235       2.34877098      -2.18413044 
Hf       2.70955002       2.76671004       5.27052003       1.32650080      -0.00817718      -0.07395021 
Hf       5.36655998       2.25696004       7.54524997      -0.48280361       1.08182098       1.98198474 
Hf       5.46755996       0.29989005       4.81647997       2.54172803      -0.15741812       1.90494800 
Hf       2.63598003       2.51196000       0.17092596       1.38479072      -0.56802470      -2.14980453 
Hf       2.64949998       0.10949598       2.72507998       0.73545665      -1.09411450       0.15366110 
Hf       0.08944625       2.67469003       2.34271002      -0.88154867      -0.97396902       1.61405037 
Hf       8.31227003       0.56370703       2.63018000      -6.53900426      -4.27313041       3.97144419 
O       8.91440995       3.91478995       1.31949005       0.96379953      -0.65089968      -1.05739126 
O       9.98275999       8.95647996       9.05553997      -0.83397244      -1.87999425       1.30582769 
O       9.07269999       4.65426003       3.58661001       2.43862694      -0.10187473       2.27261768 
O       6.14676997       6.67698997       6.39462000       1.48636577      -1.15140575      -1.13126163 
O       8.81776003       6.43071000       6.21890002       1.06301535      -0.46006243       0.50682130 
O       6.76767998       1.11782000       9.14679002       0.51989574      -0.98732742      -0.48980424 
O       4.05822001       6.66715000       9.38960998      -1.99636290       0.06927173       0.01966505 
O       1.60637999       6.02651995       0.52451202       0.88152866       2.03299124       0.17889687 
O       6.64415999       4.23595001       0.75256997      -1.23512515       0.57293230       1.23794608 
O       6.38948000       3.95505003       6.22899001      -1.30820309       0.53011525      -0.69402963 
O       4.03947996       3.96653995       9.95329998       1.30875549       0.61639481      -0.81784249 
O       4.36349998       0.88065395       8.91037002      -1.52461029       2.00316292      -0.07829653 
O       4.37894001       0.92047905       6.51084998      -1.78073571      -0.26353315      -2.62529180 
O       1.75335003       4.24228003       4.06764002      -1.80524598       0.23735317      -0.23009019 
O       1.90915000       9.20292996       9.24806002       1.01393912      -1.22758828       1.81920832 
O       9.41977996       1.44702002       6.76085997       0.37403237      -2.59658775      -1.14965868 
O       3.41386004       3.21383000       7.23228003       0.74148837       0.99041680      -1.17563834 
O       1.32073000       1.68491995       4.14471995      -1.13225317      -0.67588159       0.81546643 
O       1.64551004       9.45680000       4.02277004       0.65699736      -0.58795473       0.55125179 
O       1.03637002       6.82910996       5.69709000      -0.55674569      -0.38110724      -0.67025082 
O       4.70593998       9.16742000       9.51038999       0.14505897      -1.65989115       1.35734999 
O       6.79543999       6.98513002       0.92595997       0.74848923      -0.62181537      -0.47787817 
O       9.41209000       1.93294996       4.22070996      -0.29214908       1.24382393      -1.86421444 
O       1.44149001       1.42794996       6.91315000       0.43059512      -1.20998596      -2.25790499 
O       6.83872001       3.31527003       8.71719005      -0.66043298       2.71224745      -0.22479742 
O       9.62991004       6.60511999       1.14671002      -0.72834558      -0.32705268      -0.13520943 
O       4.39235001       1.35695998       1.15703004      -1.74743750       0.44847650      -0.18800739 
O       3.36206000       3.91008005       1.54688998       2.38922886      -1.25680379       2.09568859 
O       4.69612996       9.28577003       4.29792998      -4.29615909      -3.29855214      -3.86773582 
O       9.36035005       3.25224003       9.33846002       2.55758737       3.07704126       0.67606922 
O       6.54562998       4.37943000       3.47777004       1.53453596       0.81482379      -2.35071866 
O       8.76478002       8.94055005       6.50885996       1.79894138       2.44245014       1.04576377 
O       3.36076005       9.07981003       1.58434002       0.98758719       0.09922744       0.05525277 
O       8.91512002       7.47803996       3.89298996       1.68571682      -0.41265601      -1.71069051 
O       9.50794997       1.08685001       1.28755997       1.78362659       4.04191747      -0.57436657 
O       7.43832997       9.14982997       9.19607005      -0.35436245       0.67554783       0.18608131 
O       0.85383002       3.99390001       1.19909000       0.40352881      -1.73088358       3.03545440 
O       0.95857600       6.67721999       3.06489998       0.96348866      -1.66217935       0.64004653 
O       4.34991000       3.89587998       4.22275997      -2.70522516      -2.45038807       0.25623563 
O       6.52550005       6.68566997       8.79948997       0.15193143      -1.76361711       2.16707131 
O       0.92636997       9.12657999       1.26698004       2.33422225      -2.75144290       1.77854244 
O       4.14199996       6.61952003       1.46293999      -0.42533070      -0.37623839       0.13728233 
O       1.46194995       1.33940995       1.64160004       0.19822374       0.61776262      -0.57608189 
O       1.47210004       3.57429003       9.61935005      -2.07785456       3.29858435      -4.00615321 
O       0.92934495       4.13552001       6.61072999       0.65688513       0.17938443      -0.10521219 
O       6.00764003       9.19656005       6.11083000       1.29684522      -0.49900975       2.91486411 
O       3.79132001       6.46654998       4.08676002      -2.08834520       1.23081078      -0.96637837 
O       7.38905999       9.69212003       4.10111002      -0.50376115       1.94594385      -0.76259283 
O       1.15267998       6.51964997       8.47923002      -0.23442579      -0.92246590       0.12528632 
O       6.72460999       1.74594003       1.03799998      -0.33755820      -1.67306220       3.32237806 
O       8.94380002       6.03581004       8.94415003       1.27954381       0.70097514       2.60064186 
O       1.28241996       9.15089005       6.62986004      -1.61409751       1.22131417      -1.28879284 
O       3.74670999       6.07552996       6.56243005      -1.64661695      -0.01128522       1.20861252 
O       1.58174002       1.15729995       9.52395997       0.43212187      -0.47822094       0.05529547 
O       6.33829004       9.83267001       1.64225001      -0.26421500       0.59067893      -1.16580636 
O       3.76401995       1.29670996       3.85345001       0.54598855       0.25492319       0.75093948 
O       6.64863998       1.85448999       3.66000002      -0.10943533      -0.64366401      -0.89394745 
O       3.67269001       8.97270000       7.21629002      -1.92783435      -0.92201289      -2.83450182 
O       8.82429002       3.78762004       6.76454005       0.57609652       0.44248285      -1.69955397 
O       9.75654996      10.36750003       3.63085002       2.67376098      -2.87640287       0.29375063 
O       6.38789003       7.17134999       3.38243000       0.80863815      -2.82330343       2.93077462 
O       9.54508005       0.91686700       9.35965998      -2.47098447      -0.50988802      -1.79562516 
O       6.80890999       1.19543996       6.31931002       1.45019303       1.46819409       0.39627097 
O       8.89604002       9.28343000       1.23322002       0.66080969      -1.46806803      -0.50247327 
96
Lattice="10.58153846 0.0 0.0 0.0 10.58153846 0.0 0.0 0.0 10.58153846" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.017932653620706236 -0.013247102463274192 -0.007853275860259015 -0.013247102463274192 0.0035801094932566874 -0.01122314164778006 -0.007853275860259015 -0.01122314164778006 0.032430535357615926" pbc="T T T" energy=-923.82062028 free_energy=-923.82062047 config_type=crystal 
Hf      10.10340000      10.20849997       0.07112593       5.44252176       2.62087940      -4.69077242 
Hf       5.38635999       0.41768803      10.02010002      -0.06248654      -1.33893868       2.12734947 
Hf       0.34349695       7.91943004       8.08531005      -0.57013384       0.92253831      -2.88228888 
Hf       7.93663001       2.54501005       4.76870998       2.34472954       3.99721219       0.93835230 
Hf       0.09101033       5.41485999       0.37784600      -0.26855115       0.27474996      -2.55401545 
Hf      10.26470000       8.27585001       2.56292999       3.62256199      -0.19775341       3.55204541 
Hf       2.83669005       5.02324000       2.22672001       0.24443741      -1.41394616       3.81476168 
Hf       7.46665003       5.48703000       2.87049997       1.63444102       0.94860405       0.32796637 
Hf       7.83653004       7.73132997      10.39490001      -0.01377104      -0.35265406      -0.90510868 
Hf       5.13222001       8.06229996       8.17490002       0.55279270      -1.50185972      -3.68380023 
Hf       5.40609001       8.32267999       2.31380004      -0.76494174      -2.59168083       2.10078406 
Hf       5.46108004       5.48314001       0.17701602      -2.52006113      -2.34554307       2.97937470 
Hf       2.67361002       8.12238003       5.07502002      -0.41619464       0.61635681      -1.19966878 
Hf       0.11162497       5.39750997       5.40246001       0.17396662       0.64869246      -1.01311845 
Hf       4.88250999       5.20657002       4.72854998       1.26328841       0.98247745       0.01015365 
Hf       2.60035001       5.33350997       7.79788001       0.28455166       0.40634440      -1.85091251 
Hf       2.69792005       8.21938999      10.49832725      -2.72168491      -1.18700859      -0.99401393 
Hf       2.61532998       0.24349305       7.77997997      -0.11650437      -2.19482335      -3.67548523 
Hf       5.37027997       2.72615995       2.03702996      -1.59490244       0.78786672       2.84380040 
Hf      10.49600005       2.30668004       7.34460003      -0.49380401       4.69288927       2.34277361 
Hf       0.12976003      10.42490005       5.42322004       1.32358300      -2.66711831      -4.85158536 
Hf       7.99605001       5.39500003       8.01021996       2.43660857       1.16524864      -1.81668364 
Hf       7.93679995      10.32209998       7.66042996       1.50886628      -2.82427011       1.49881538 
Hf       8.29633005       2.27442995      10.32449998      -0.70457296       2.91889314       1.40373005 
Hf       8.20336996       7.68217999       5.52536003      -0.18800953       0.40773849      -0.73667304 
Hf       2.69404001       2.81050000       5.28051995      -4.83632140      -4.50101448      -4.51235055 
Hf       5.36095001       3.26837005       7.59614002      -0.68641675      -0.15798318      -4.90606414 
Hf       5.43453996      10.44049999       5.28745001      -2.73106763       3.31290708      -2.97114366 
Hf       2.50200995       2.74846002      10.24060002      -1.24032247       1.52416597       1.52743287 
Hf       2.76692004       0.59347998       1.98807997      -1.44590944      -4.30865224       5.29302563 
Hf      10.55602330       2.46743996       2.17148005       0.10244376      -1.39142558       4.02114608 
Hf       7.77533996      10.46689998       2.58174005       0.60002573       0.10371766       1.78719691 
O       9.58162001       3.80195005       0.92812303      -1.04509534      -1.03479491      -1.84129558 
O       8.86732997       8.81397997       8.97567995       1.52187449       2.51271568      -0.01592185 
O       9.08322002       3.25870995       3.28519004       0.18130165       1.44138454      -0.31075935 
O       6.97488996       7.07529998       6.90187005       0.19746552       0.50949721       1.96338260 
O       9.66674996       6.34009003       6.98852004      -1.58223434      -0.53156887       1.78992079 
O       7.28603005       0.96042297       9.04633997      -2.46746120       0.43142511       1.42380681 
O       2.83715003       7.16238996       8.35641001       0.41653404       1.48592605       2.66387452 
O       1.60274002       6.27661001       1.34902997       1.74019889       0.46069100       0.62878957 
O       5.20788996       5.12660005       2.40376005      -3.24054199       2.40397175      -0.82562146 
O       6.57039002       4.55746999       6.61511998       0.34218644      -1.60499007       1.69479773 
O       4.12077000       4.97181002       9.09327999       0.81262170      -1.82009772      -1.52311308 
O       4.83917001       1.88722003       8.82186999      -0.38091764      -1.55352251       1.90682852 
O       3.84596999       1.42996001       6.21663998      -0.52955686      -1.69426049       0.77265875 
O       1.47317004       4.65980003       4.11825001       0.94853306      -0.96397618      -1.21166323 
O       0.84761096       9.85356999       8.70622996       0.13105105       0.64020024       4.16350687 
O       9.69097005       0.58336201       6.88523999      -4.45755598       1.65398041       0.45234362 
O       3.91020003       3.74559997       6.25086999       3.75301397       5.08072919       3.68894310 
O       1.73834001       1.59752999       3.43079000      -0.31969005       2.37188028      -0.79226001 
O       1.42690004       9.72312004       3.43035002      -0.19261276      -0.86019780       3.97729472 
O       1.43265005       6.78440005       6.41478998       0.59101967      -2.04773784       0.60125427 
O       3.82201000       9.41264998       8.71352995       0.79472002       1.55785208       0.69390054 
O       6.83250002       6.68207996       1.30338999      -0.76854283       0.41605580       0.55396489 
O       9.77701002       0.93727300       3.86988998       0.01963167       0.76287464       1.79763287 
O       1.31782004       1.17939002       6.44624995      -0.15843761       0.82615422      -2.99632628 
O       6.53251002       3.89882996       0.92210701       3.02997226       0.30529438      -3.05631936 
O       9.18897996       6.69238003       2.19879004       0.37410204      -1.81659183      -2.03605251 
O       4.02614999       1.43739999       0.72312202       0.94594851       2.29442309      -1.99033634 
O       4.07231005       3.82133003       0.73008700      -2.26026886       1.13603651      -0.08157445 
O       4.07882997       8.77952997       3.54232005      -1.99792337      -0.38126121      -0.15840367 
O       8.87694002       3.49092996       8.47251997      -2.41330357       1.54213972       1.02742636 
O       6.58163999       3.89138997       3.52886001       0.65149135      -3.31355850       3.43939325 
O       9.51986001       8.86421000       6.70008000      -1.51740122       0.38823048      -2.55468067 
O       3.63605004       9.78496003       0.45002902       1.63122139       0.94064187       1.30895868 
O       8.83168997       6.09990995       4.71732000      -0.41183701      -2.50464949      -1.70114284 
O       9.11477004       0.95527399       1.43704996       1.56906001       0.54752145      -2.65944748 
O       6.54580995       9.01615000       9.29509998      -2.16732260       0.03938229       0.36520745 
O       1.51506997       3.65053998       1.38208997       0.71610254       1.17240608       0.32416843 
O       0.35462598       7.38010003       4.19851997       1.17508043      -0.32438149       0.44842898 
O       3.97129995       3.22357003       3.63399003      -0.68674428       2.06277664       0.71301368 
O       6.65843001       6.19103996       9.46429000       0.76505939       0.36408019      -3.34011104 
O       1.35132997       9.03808997       1.38163000      -1.83487403       0.31851621      -3.79105732 
O       4.52278000       7.38373003       0.21747802      -0.43441035      -0.71089893       0.83064316 
O       1.22879999       1.32155003       0.61348903      -0.11902392      -0.28767225      -0.47748256 
O       1.04427002       4.27959995       9.47440997       1.88518607       0.82592067       0.01911717 
O       1.22697002       3.83321003       6.68992998       1.97666486       1.38942121      -0.10100995 
O       6.17126000       9.65900999       6.92052995       2.52890907      -0.44427530       1.82606955 
O       3.48624995       6.42991004       4.07178997      -1.20995274      -1.31956404      -2.03281001 
O       6.39047995       9.11372998       4.18360995       2.02930202       0.16064277      -1.72602439 
O       0.65942000       7.27003997       9.91054004       1.62103247       0.59500139       0.39976647 
O       6.66618998       1.39352005       1.26324999       0.05537903      -1.39504417      -3.14907355 
O       9.17865999       6.35306998       9.54177998      -1.64272011      -1.58448710       1.33046735 
O       1.54753000       9.32357998       6.71229004       0.47707723      -1.05868154      -2.83734099 
O       4.38272996       6.33180003       6.33156999      -0.96284897       0.49928938       2.11412810 
O       2.15064002       2.03470996       8.43403999      -0.31631742       0.55780952       2.02480260 
O       6.73589004       9.26136001       1.26959997      -0.85593915       1.75793837      -0.00835916 
O       4.40408001       0.67794097       3.16719996       0.78599710       0.60742863      -0.59432009 
O       7.12977004       1.27540997       3.75737997      -2.35439873      -3.36883050      -2.19385011 
O       4.01752995       9.39410001       6.07691997      -2.12891550      -1.91657584       0.46659813 
O       9.55000999       3.54113999       5.91728995      -0.69020256      -1.57628760       0.38706839 
O       8.95439000       9.26391005       3.82522996      -0.23144075      -1.40175800      -0.63932596 
O       6.42158005       6.50889001       4.22653005       0.01634332       0.50121575      -0.72942845 
O       9.55954004       1.40870995       9.27391998       3.40229692      -2.59649472       0.87788452 
O       6.33023005       1.66706996       6.02445004       1.58094646       1.00446012       2.03699676 
O       8.98401006       8.98721002       0.84642996       0.55200468      -0.81036626       3.33704892 
96
Lattice="10.58228079 0.0 0.0 0.0 10.58228079 0.0 0.0 0.0 10.58228079" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0321946699635676 0.0006369067534454938 0.0009214626407810333 0.0006369067534454938 0.04566253715116001 0.007014540740451179 0.0009214626407810333 0.007014540740451179 0.05228927926695658" pbc="T T T" energy=-936.67337503 free_energy=-936.67337503 config_type=crystal 
Hf       0.04688776      10.39759999      10.42499995      -0.85247986      -0.19803065      -0.68244971 
Hf       5.67402996      10.56345121      10.41699996       1.12880787       0.74017277      -0.70236941 
Hf       0.03891919       8.05814999       7.53297002      -1.61038949       1.47888277       0.65176826 
Hf       7.89166997       3.03456997       5.52281996       3.20078198      -1.82359272       1.53782731 
Hf       0.11051499       5.15146000      10.52269863      -1.33413385       0.52317672       0.09458546 
Hf      10.32810001       7.87297002       2.36372004       1.65181733      -0.67426560      -0.66029361 
Hf       2.87184000       4.98954000       2.54586003      -2.60352484       1.71464714       0.71002310 
Hf       7.70968003       5.48440999       2.93799005       0.93712047       0.84404049      -1.94150799 
Hf       7.88099996       7.90133001      10.22860001       4.40646640       2.60863457       2.08147988 
Hf       5.34612000       7.79483999       7.73293005      -1.26722895       3.94456671      -0.27054921 
Hf       5.35359003       8.37375001       2.71741002      -1.18891888      -0.89493294      -1.70415946 
Hf       5.26370001       5.61138000       0.04335095      -2.72515080      -0.57628802       0.17269412 
Hf       2.44222998       7.68703998       4.90756002       1.05454906       2.70393186       0.29136498 
Hf      10.45038377       5.37899005       4.99257002       0.02075210      -1.49290958       2.01118294 
Hf       5.33763005       5.68718998       5.21285004      -1.97706797      -1.85875264      -1.63323301 
Hf       2.88064996       5.44049003       7.84365996      -1.67509712      -1.49763469      -1.28920186 
Hf       2.62561995       7.92723998      10.25499995      -0.38452417       0.17543732       0.56921874 
Hf       2.82187004      10.24789998       7.55893005      -1.41870080      -2.08720518       1.56197325 
Hf       5.22479997       2.94732002       2.51045003       1.98576962      -4.11175688       4.57718105 
Hf       0.03036183       2.31957002       7.97960999      -0.61059307       0.74821744      -2.20957490 
Hf       0.05000519       0.05476923       4.38327997      -1.87811615      -2.78982451       3.34158916 
Hf       7.98877002       5.37289000       8.32604000       2.94661372      -3.99233580      -4.42108431 
Hf       7.96674998       0.20812203       7.46641001       1.20165976       2.33964100       2.34707222 
Hf       7.56297004       3.08127995       0.17274102       1.68208660      -5.63056220      -3.26615054 
Hf       7.74121005       8.04255996       5.50008996       3.10214855       0.33526371      -0.49493528 
Hf       2.18842995       2.41071997       5.36103996      -1.80967254       2.97510953      -0.64000453 
Hf       5.01243995       2.76988004       7.82827005       3.28062868      -2.47452210       1.88874186 
Hf       5.00491996       0.30014004       5.01518002       1.08953121       0.75015480      -0.26743839 
Hf       2.84123996       2.32216003       0.00701923      -1.37189495      -0.65412141      -3.38341704 
Hf       2.95578997       0.19890201       2.22407002       0.99962118      -1.91906352       2.82219200 
Hf      10.50459997       2.69361005       2.48583003       0.32630543       1.81778718       1.87931142 
Hf       7.80745004       0.25697101       2.64215000       1.00247675      -1.20793402       1.42059183 
O       8.64552001       3.67501998       9.31780998       1.37371323       2.81923417      -1.73626319 
O       9.28768001       8.76516000       8.88365001      -0.65986242      -0.24899913      -0.90671330 
O       9.44733001       4.06457003       3.89917004      -1.68240964      -0.57812848      -0.32130352 
O       6.66934998       6.68160997       6.64002997      -1.18769370      -1.55509099       0.35276865 
O       8.95895003       6.52446003       6.27890996       2.06593183       1.55091540       1.95965599 
O       7.06001995       1.15710997       9.11794996      -1.43030781      -1.74065468       1.46021297 
O       4.41352000       6.56584998       8.97469001      -1.65122844      -2.76789448       0.38774138 
O       0.93215798       6.25926998       1.46356002      -0.42128403      -2.63206865      -0.62490855 
O       6.93864998       3.96326998       1.66421001      -2.11654420       1.75947446       3.50263247 
O       6.90498002       3.37685998       7.25033000      -0.99952682       1.85101378      -0.74093595 
O       3.36721995       3.84465002       9.49108996       0.46344614       1.94164457      -2.29327744 
O       4.17924005       1.24818002       9.36461996       0.78771112      -0.85665608      -1.18121959 
O       3.48879998       1.15300002       6.40424003      -0.08337351       1.53147546      -0.42698634 
O       1.53390996       4.05812997       4.05563996      -0.57782883       0.66874267      -0.45672217 
O       1.48470997       9.55067000       5.97057997      -0.61127893      -1.35835711       0.49492278 
O       9.03970997       1.59178996       6.50495996      -4.05641934      -0.74138329      -0.22725566 
O       4.31900002       4.17382001       6.67165998      -0.62119775       0.30393628       0.82903342 
O       1.23817998       1.35562001       3.76497000       2.52499199       1.39636704      -2.42314909 
O       1.05020004       8.59558001       0.75203603      -1.29507396       1.50339161      -0.79263254 
O       1.52357001       6.58885999       6.31071003      -0.57048547       0.24071002       1.50866511 
O       3.87449004       8.86488001       8.90437001      -0.71438684       2.32324548      -2.59341456 
O       6.08936998       6.51502995       1.53788001       0.58521433       0.94694371       0.57087637 
O       9.10216998       1.50669995       3.78904003       1.26634132      -1.03289916      -0.00140011 
O       0.53486202       1.59174001       6.02455002       2.95449578      -1.00398218      -0.06977214 
O       9.48889001       4.07454002       1.34999997       0.48771149      -0.29510696      -1.30414109 
O       8.70888004       6.66735998       1.20346999       0.10450671       0.92823604       0.97959304 
O       7.09974996       1.27633005       1.19524004      -1.10562888       2.30658341      -1.74419609 
O       4.45606997       4.26687001       1.44485001      -1.95759582       0.37441523      -1.06366670 
O       3.89184996       9.72712001       3.73984999      -0.09216584      -1.49667051      -1.72743700 
O       6.00431003       3.58695995       9.59942998      -0.87419336       2.08430181       1.31150484 
O       6.57895000       4.13642996       4.40815002       0.37430362       1.85721817      -1.42292753 
O       9.23436997       9.37998004       6.30689998       1.24135198      -1.12473583      -0.57723459 
O       3.98820004       9.18380000       0.77508095       0.51076170       2.27269039       2.41444179 
O       9.00841002       6.49874996       3.95470997       0.02207540       1.06575791      -1.00753170 
O       1.66937003       0.84074602       1.01375996      -0.08788712      -0.65812765      -2.55251270 
O       6.32194005       8.76079999       9.34373996      -0.18090030       1.42110102       1.03729428 
O       1.88612996       3.21356004       1.59911999       0.68393881       2.16333838       0.40283902 
O       0.88561499       6.81770001       3.89988000       0.70521295       0.63734979       0.02077158 
O       4.04138997       4.43265001       4.12589001       0.59792133      -0.48860664      -2.33561105 
O       6.76396996       6.35133995       9.43939997       0.05865506      -0.64830236       0.14518585 
O       1.34264000       8.93437998       8.83968995      -0.54016523       0.93850240      -2.05011742 
O       3.42460004       6.66900997       0.98003296       1.43747807      -2.90628828       0.07172358 
O       4.58828996       1.33237995       1.19456003      -1.94198103       1.15463591       1.33262533 
O       0.62427901       3.45561003       9.51505005       0.77883341       1.42530630       1.88187715 
O       1.29888999       3.92124002       6.78635000       2.84225548      -0.37155785       0.36572367 
O       6.87610002       9.22449998       6.94077003      -2.01311940      -2.50327660      -1.85978076 
O       4.02691002       6.96949997       3.69390998      -2.15889685      -0.34910994       0.49915260 
O       6.39988998       9.62320000       3.77260998       0.73925104      -0.68788898       3.28925077 
O       1.59061998       6.34017004       9.13289997       0.29739101      -0.81813730       0.04962762 
O       9.94853995       1.23556996       1.44207005      -1.07942860      -1.56725482      -1.89565769 
O       9.40641002       6.47034998       9.21284995       0.26705711      -2.10309795       0.03813040 
O       1.21289996       9.28732000       3.08567995      -0.04687802       1.24088785       1.41038578 
O       4.09319997       6.67907996       6.31981005      -1.94153310      -0.02065318       1.94642964 
O       1.52528995       1.05854004       8.84689997       1.37047023       0.18340482      -0.20022045 
O       6.73032995       9.45949995       1.47966995      -2.31372250      -1.68950264      -1.84903250 
O       3.81101996       1.71377000       3.68972003       0.55986134       0.02537769       0.16580063 
O       6.58294999       1.37332999       3.95355005      -1.27278960       1.46662548      -0.14841811 
O       3.97912002       9.06651997       6.11012004       1.38708739       1.17974990       1.81622993 
O       9.33127996       4.01033002       6.57121001      -0.56392988       1.54446309      -0.35833355 
O       9.17773995       9.13140004       3.60769000      -0.25778230       1.10551927      -0.51610836 
O       6.37160999       6.97411998       4.01358005       2.36870165      -0.14647332       0.41367336 
O       9.64207001       0.75064097       8.69206999       0.12559312      -0.98348755       2.14630169 
O       5.96936999       1.08196996       6.71862997      -0.13583252       0.12555990      -0.87055592 
O       8.94518005       9.59548004       0.55639495       0.95142413      -0.77965836       1.08193734 
96
Lattice="10.58293858 0.0 0.0 0.0 10.58293858 0.0 0.0 0.0 10.58293858" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.03231515001395282 -0.01182547437906042 0.006302101527956587 -0.01182547437906042 0.033931271099721196 0.0061192283252171145 0.006302101527956587 0.0061192283252171145 0.007117685511043003" pbc="T T T" energy=-930.66912606 free_energy=-930.66912606 config_type=crystal 
Hf       0.31009703       0.08620438       0.07610170      -1.74789945      -2.65067078      -0.84790757 
Hf       5.35669004      10.36320005      10.21879998      -0.14612857       2.39587362       1.56198139 
Hf      10.41830002       8.26446999       8.19503004      -0.26721614       0.01288203      -0.37573546 
Hf       8.24242996       2.47032000       4.99443002      -2.72676594       0.90735464       0.17500617 
Hf       0.07983600       5.48577998       0.24221500       0.32088565       2.34971550      -0.39888015 
Hf      10.45720004       7.88650002       2.61438004       1.41326277       1.60302486       0.74372077 
Hf       2.84659998       5.04507996       2.37217002       1.76941102       1.02014761       0.03308405 
Hf       7.29211996       5.38441003       2.48632998      -0.23889649      -2.77048399       1.41672371 
Hf       7.83602004       7.83753001      10.31779999       1.29916402      -0.50773836      -0.40518010 
Hf       5.20951999       8.07240997       7.73905005       1.12597879       1.66587609      -0.64779291 
Hf       5.52368997       8.20652999       2.43991004      -5.18638402       0.58816051       2.15098966 
Hf       5.26367003       5.45667002       9.95417001       0.87311413      -2.19420927       1.70474875 
Hf       2.16691001       7.44868004       5.34742996       1.58968791       3.13414625      -2.27494394 
Hf       9.76597001       5.39139996       5.14218001       2.77787795      -3.11253113      -0.01932268 
Hf       5.16131999       5.49452001       5.60171004      -0.38202093      -0.02322095      -3.72945278 
Hf       2.42539998       5.58144996       8.24433997      -2.93085993       1.87313455      -1.18119087 
Hf       2.97384003       8.00484002      10.56382241      -0.46814895       2.80379687       2.44013863 
Hf       2.45138004      10.42680002       7.77792997       0.31464881       3.54899078       0.32866737 
Hf       5.46151997       2.45582000       2.47347996       0.62655487      -0.88317237       1.16064103 
Hf       0.04185616       2.70751001       7.60101001      -0.37402140      -1.85701488      -0.05563270 
Hf      10.58133368      10.23600001       5.48366001       2.46936700       2.95314665      -4.71333745 
Hf       8.20713999       5.43121996       7.84841001      -1.69169608      -0.16020516      -0.74398829 
Hf       7.86714001       0.19961295       7.70473000       0.03906663       1.31156549       1.79946412 
Hf       8.38118001       3.15683004       0.04685501      -1.69163602      -0.43457176       0.24685543 
Hf       7.87369001       7.91408000       5.02841003      -1.39992346       1.12595095      -1.10345965 
Hf       2.40550003       2.64312997       5.30632996      -0.91884166      -0.17778859      -2.55037572 
Hf       5.12231996       2.89302998       7.84522000       3.38425633      -3.30370091       0.64267857 
Hf       5.28911004       0.12284400       5.29910996       1.59706680       1.54150475      -3.02652631 
Hf       2.35722003       2.52454000      10.15310004       2.49442408      -2.66911394       0.40299256 
Hf       2.74393003       0.11928104       2.66628004       0.63625624      -2.39720573       2.21558322 
Hf       0.20366495       2.65038997       2.37986996       0.42804594       0.51939243       3.61409804 
Hf       8.04673005       0.06845098       2.10047995      -2.09154370      -0.20493722      -0.69193904 
O       9.19047002       4.42643005       9.17835002       2.35139420      -2.82937165       3.67225342 
O       8.67133995       9.43348001       9.30698997       1.38184040      -1.11971809      -1.09682521 
O       9.77982996       3.63010001       4.08168998      -0.80252449       0.01586975      -0.66419763 
O       6.51178000       6.99795999       6.43010003      -1.14649271      -0.60841017       0.13473087 
O       8.99385003       6.74811004       6.44574003       0.42403366       0.84278054      -0.74147611 
O       6.18655995       0.67889001       8.63045002       1.64777249       1.08339033      -0.56338375 
O       4.13572996       7.07965996       9.17141004      -0.48005099      -1.89104241       0.42818176 
O       1.10961000       6.07528998       1.95308004      -0.79574273       1.73062460       0.27463932 
O       6.59921000       3.58834005      10.08550004      -2.66785117       0.83623079       0.37186789 
O       7.19724995       4.27665999       5.29456004      -0.17469492       1.82252128      -2.20488891 
O       4.17747002       4.84621998       8.09414997       2.73620956      -1.88429049       0.05188119 
O       4.10151997       1.18927000       9.93298000      -3.21836942       2.76548705       0.31416949 
O       3.40369000       1.95801000       7.75262997       0.54220171       1.33823991      -0.74276522 
O       1.98229996       3.61318996       3.34160995      -0.02713747      -1.02213993       1.93243133 
O       1.31643999       9.26521001       6.60842996      -1.07867295      -0.04184727      -0.14709642 
O       9.32658005       1.36398003       6.45888997      -0.62909143       0.35825661      -3.61527816 
O       3.74872999       4.06744005       5.28468002       3.09969025       1.33708496       2.29386705 
O       0.87973196       1.38684002       4.05905995       0.13641671      -0.31235099      -1.08475817 
O       1.63880000       9.28520997       1.43894999      -0.74198484      -1.68232509      -1.30349407 
O       1.24257996       7.09612002       7.25599002       0.35990746      -2.63174534       1.72882531 
O       3.85547004       9.58653004       8.75109001       1.79665722      -3.51185218       1.36887245 
O       6.73815001       6.00707003       0.71806095       0.02979962       0.98272222       2.82912925 
O       8.60493000       1.23209005       3.46274999       2.42969537       0.90764201       1.42457914 
O       1.50278998       1.30649996       6.59202005      -3.20215892       0.96057849      -1.70879202 
O       9.57982004       4.39412002       1.31167004      -2.84392752      -1.86702389       1.42096861 
O       9.37962005       7.08858000       1.04446005       0.92029081      -0.42701696       0.30479271 
O       6.73847004       0.86867395       0.67939598       1.86619836       0.73448780       2.13939300 
O       3.57781003       3.77406999       0.30271205       2.94903426       2.97527413      -0.02248398 
O       4.04337995       9.10609003       3.51739997       1.32380710       1.71236795      -0.34190742 
O       6.87648997       4.04170997       7.80993002      -2.60243106       0.56857329      -0.90363591 
O       7.40118995       3.20444004       2.08108005      -0.80337189       2.42830498      -0.14174804 
O       9.29281000       9.44409004       6.68854005      -1.41640610      -2.18862592       0.98805406 
O       4.23758005       9.18722995       0.95885001       1.20590382      -0.89043678      -0.33165770 
O       8.86847999       6.58977996       3.55172996      -1.37251866      -0.84698111       0.76921503 
O       1.50673995       1.02925004       1.20240999       0.96459630       3.62752526       0.29593894 
O       6.28526003       8.66104000       9.48987003      -1.94895652      -0.30866509      -2.22180209 
O       1.38940003       3.68745001       1.13545004      -1.23334107       0.34891200      -2.86399804 
O       0.57272895       6.73890002       4.64648003      -1.78646575      -0.53557765      -1.64325406 
O       4.96846001       4.45786995       2.88112005       0.53992879      -1.26409810      -1.04308470 
O       6.78852003       6.28056999       9.05315999      -0.46403410       1.71897053      -0.85056184 
O       1.26817004       9.01331999       9.53921997      -1.75663358       0.57249348      -1.78044106 
O       3.93692998       6.72389998       1.41246999       0.67932823      -0.41956842      -1.79430945 
O       4.32377004       0.91048397       1.80999004       0.22877363       1.46973955       0.54352140 
O       1.53693996       3.82985001       8.81987996      -1.24856453       0.81791748      -0.39636140 
O       1.14410001       4.39347996       6.01354001       0.11366910      -1.29443044       1.17957505 
O       6.21115999       9.56333997       6.74649000       1.74920620      -0.37196356       0.17895538 
O       3.48481997       6.67746998       4.03611995      -1.21742180      -2.56131335       0.09314813 
O       6.65556002       9.41977997       4.18040001       0.03381978      -1.32579196      -0.97459692 
O       1.75645000       6.50571005      10.02069997      -0.59128484      -2.71599363      -1.72374917 
O       9.59819995       1.81386001       0.94232496       0.62971681      -2.19447171      -0.40102013 
O       9.40210996       6.77992997       9.17971003       1.10259594       1.39917290      -0.65757332 
O       1.36331002       9.21815996       3.86904001      -1.06991648      -0.80279782       2.14789519 
O       3.81209999       6.97674998       6.45259005       1.44064412      -0.69142581       2.44547402 
O       1.08372995       1.02169996       8.88364005       1.74020788       0.82029039       3.27841736 
O       6.96552995       8.94028999       1.26354000       0.15023871      -0.77262207       1.52913582 
O       3.75800001       1.39217996       4.24039003      -0.90063575       0.22592597       0.46862178 
O       6.35913995       1.60802005       4.11693995      -0.81176823       0.73185725      -1.81945887 
O       3.79656000      10.30089999       6.32693003      -1.68496665      -1.25313625       0.39237639 
O       9.31851003       4.07999999       6.79359000       0.98045314      -0.81581956      -1.31772769 
O       9.20940999       9.12907998       3.89777999       0.89349874      -0.82012560       1.27669858 
O       6.17113002       6.60101005       3.75173004       1.43694157       0.78150400      -0.30404696 
O       9.47074000       1.16120002       8.66297996      -2.02348560       2.23849889       2.00676834 
O       6.41432997       1.97497995       6.46750003      -0.34603245      -1.88298219       0.06266040 
O       9.50207999       9.66758001       1.35595001       2.30537647      -0.37538139      -0.81237212 
96
Lattice="10.58352139 0.0 0.0 0.0 10.58352139 0.0 0.0 0.0 10.58352139" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.04939121899712095 0.0033159228208855416 -0.006496995502781961 0.0033159228208855416 0.041795261003474006 -0.0020993483279768007 -0.006496995502781961 -0.0020993483279768007 0.038285783254889454" pbc="T T T" energy=-935.89326589 free_energy=-935.89326589 config_type=crystal 
Hf      10.42539998       0.13485904      10.50740862       2.21364690      -0.22179203       2.55724353 
Hf       5.16971004       0.15612705      10.30790003      -1.40934775      -1.90900103       2.72418590 
Hf       0.02327856       7.67044004       7.55143999      -2.86004528       0.41699037      -1.50122198 
Hf       7.78746998       2.55287003       5.28998997       0.97730429      -0.06956900      -0.88240566 
Hf      10.55091504       5.44262001      10.23830005      -1.93520543       0.37010592       3.27673112 
Hf      10.27970003       7.97443000       2.26198999       1.40631342      -0.84599468      -1.43843990 
Hf       2.85870999       5.57669005       2.41442995      -1.54576658      -0.18962724       0.53276033 
Hf       7.94828002       5.29816002       2.68169001       1.34710995      -1.10082136      -1.85557091 
Hf       7.83624996       8.13769002      10.29300002       2.27216949      -0.19127246       1.39304701 
Hf       5.28221997       8.05019997       7.71254997      -1.20677885      -0.16535246       0.08187032 
Hf       5.34681998       8.36512005       2.82939998      -2.34491159      -0.34883546      -0.28544927 
Hf       5.43156997       5.61229005       0.16207499       1.26625602      -0.32462923      -0.10521294 
Hf       2.65468002       7.59003999       5.25370002      -1.94262981       1.18930975      -0.50469082 
Hf       0.20891903       5.05037999       5.22953001      -3.36255835      -2.84325994      -3.53544068 
Hf       5.21335003       5.39407996       5.40192997      -1.16353430       0.53872543      -0.47226056 
Hf       2.93455002       5.06071004       7.97354003      -0.89414163       3.00933470      -2.66343051 
Hf       2.74393995       7.97779005      10.36660005       0.24353328       2.13745306       1.05221099 
Hf       2.34844995      10.57509998       7.66999003       1.33832816      -2.22467758       3.55843585 
Hf       5.25760005       2.75521998       2.69040004       0.44774258       0.03980800      -1.89911019 
Hf      10.39339996       2.86380003       7.99113005       2.15197350      -3.28522407      -2.41170428 
Hf       0.28054100      10.43539940       5.01831002      -1.77557906      -1.54123518      -3.07988078 
Hf       7.68161000       5.24334997       7.79642999       2.46700842      -1.03133282       0.91640343 
Hf       8.22838995      10.35970002       7.76662002       0.83074262      -0.45969248       1.18140344 
Hf       7.80974003       2.69071998       0.01007932       1.46994960       1.45274673       1.20182322 
Hf       8.03085996       8.20081004       5.10487000       0.55412978      -1.68710767       0.84585640 
Hf       2.67729002       2.63326998       5.30782997       0.94816221       0.23304699      -1.88269821 
Hf       5.15311995       2.45275998       8.12776003       0.48433394      -0.29018049      -2.56878225 
Hf       5.10567995       0.17600999       5.51010001      -0.76980601       1.14294010      -4.13471290 
Hf       2.36632997       2.91687004       0.02647023       1.01924269      -1.63014530       1.11716604 
Hf       2.73957002       0.02646706       2.27580000       1.08653756       0.90376752       1.67239367 
Hf       0.23339998       2.76991001       2.50334995      -2.28245365      -1.42483266       1.05821810 
Hf       7.62064002       0.14764796       2.60929999       2.75363086       1.65461023      -0.93266610 
O       6.91013003       4.09999004       9.48736004      -0.19431529       2.62818290      -0.76783094 
O       9.23113003       8.83482002       8.86955005       0.56388260       3.62196608      -0.98665898 
O       9.11759001       3.44352003       4.06265995      -0.52413053       1.03539690      -0.87512102 
O       6.37544005       6.49388997       7.13009000      -1.14805464      -2.15293433      -1.97190505 
O       9.01210003       6.30531004       6.25590997      -0.16401367       0.98426970       0.02259636 
O       6.18422005       1.73897004       9.60222999       0.31618442      -0.41032272      -0.60695502 
O       3.73443997       6.52344996       9.45236997       1.19838576      -0.33893504       0.34575765 
O       1.15002004       6.60358002       1.43941003       1.50320002       1.03017740      -1.29035863 
O       6.32517001       3.59971005       7.01231001       1.86595984       1.09741631      -1.83281114 
O       6.53939001       4.07354997       1.34617005      -0.40268741       0.53498538       1.75018987 
O       1.81299997       4.45588000       9.42052003      -2.52164135       0.32193984       2.03693928 
O       3.48233996       1.12571001       9.44198997       0.78488453       1.64291877      -0.33795936 
O       3.83233998       1.37339997       6.80158998      -0.94197069      -0.46180669       0.07046210 
O       1.05508003       3.36350999       4.31347999       0.96851671       0.39918116       0.42374008 
O       4.35861998       9.04604996       6.00563001       0.04889345      -0.42076126       1.61163520 
O       9.56354997       1.07763997       7.00051002      -1.81312475       0.64606403       1.47260037 
O       3.91558001       4.13385995       6.40712002      -0.96933888      -1.49317313      -2.35015839 
O       1.49992004       1.00647997       3.70156004      -2.36696303      -0.67154651       0.96216397 
O       1.42124997       9.40989999       1.52981002      -3.54384090      -1.55842609      -1.55621758 
O       1.02651003       6.30909005       6.17631998       1.79347888       5.36913217       4.80883200 
O       3.93050997       9.35431999       8.80736996       0.92772667      -1.52748050       0.13368179 
O       6.69488004       6.59026003       1.54798002      -0.88810006      -0.33962191       1.27580376 
O       8.79285995       0.58934699       4.48060998       0.22061542      -0.07911907       0.36778411 
O       1.14747999       0.80578402       6.36009997       3.09890215       2.89960328       1.53590307 
O       9.38550000       4.24858003       1.00947003      -1.76989175      -1.13441390       1.71234135 
O       9.16137997       6.65160000       0.79544699       1.09658559       2.19527981       1.24208050 
O       6.96203003       1.63221004       1.35355999      -1.34051667      -1.93274340       0.86391835 
O       3.76804996       3.95048997       1.01780995       1.75859990       3.58245523       1.07169768 
O       3.42194997       9.05808003       3.38743001       3.78850170       0.82743122       0.02965109 
O       6.65655002       4.40757998       4.37090003       1.00821812       0.62183374      -0.86466761 
O       4.32069001       4.02538002       8.72600999       0.07120167       0.32060781       3.56674950 
O       1.79488003       8.84119997       6.67423000      -1.23925789       1.53559210       2.27915813 
O       3.89823002       9.48159996       0.97828198       0.63059334       0.41822940      -2.60469770 
O       9.61850003       6.36134999       3.64450004      -0.83465725      -0.74554065      -0.74628525 
O       1.31475996       1.57106999       1.22904000       1.07953087      -0.75294473       0.27225480 
O       6.83638998       9.76072997       9.57674000      -0.62757010       0.91366684      -3.16184456 
O       1.16308000       4.22749999       1.52496997       2.37955025      -0.38510640      -0.87578406 
O       2.02425002       5.82251000       4.23896004      -2.47923671      -1.55554353      -1.63470427 
O       4.07603001       3.90565997       3.77805996      -1.46083391       1.43911963       0.76222266 
O       6.42293000       7.03200002       9.50362004      -3.06350779      -1.24709163       0.22597200 
O       1.24611005       9.81132005       9.35945999       0.41195389       0.19458819      -1.17662715 
O       3.95578004       7.13407004       1.35390999       0.30786527      -2.85034011       0.25493969 
O       4.35639998       1.45945003       1.56808998      -1.29531112      -1.84892846      -1.41768505 
O       9.57351996       4.00271002       9.20597003      -0.91857774       1.80477812       0.62263086 
O       1.39659005       3.85102995       6.83823003      -0.90034190      -1.11584802       0.46331802 
O       9.57380995       9.14610995       6.23066996      -0.25301928      -0.50288339       0.04580295 
O       3.96337001       6.81511001       4.13331003       5.22851366      -2.65900007      -3.19855151 
O       6.23658001       9.98158996       3.86322005      -0.93595558      -2.97411581       0.95829574 
O       1.33740996       6.98357998       8.73735997       0.17314774      -0.73998461       2.91131596 
O       9.30348004       1.53335000       2.07091002       0.56672846      -0.98067018      -1.21395241 
O       8.83576004       6.70559998       8.88123003       1.48827597      -3.45045783      -0.53242440 
O       1.38383003       8.66173996       4.13510003      -5.26094672       1.09586140       0.19130381 
O       3.77554997       6.56068004       6.74892003       1.23315968       1.22547253       0.78575023 
O       0.90321200       2.11892004       9.62257998      -2.26271538      -1.64385421      -3.59230880 
O       6.56405004       9.29207005       1.24365002      -1.17001762       0.02684192       2.76433635 
O       3.84631002       1.25210996       4.12750000       0.69749217       0.52438085       1.99897428 
O       6.41127998       1.67161005       3.82257996       1.85481866       1.16902310       1.79989528 
O       6.96672996       8.94069005       6.95765004       0.15301516       0.45375395      -1.45213943 
O       9.02894000       3.59881003       6.72126000      -1.12906628       1.41496500      -0.59057869 
O       8.71651995       8.72859998       3.24766001      -0.95243698       0.80935989       1.72289293 
O       6.26400001       7.31481002       4.63515003       1.76483990      -0.05450811      -1.22485924 
O       8.97704000       1.08330999       9.72623002      -1.89092375       1.45659781      -1.94000803 
O       6.44473004       1.03338995       6.59145004       2.06290529       0.31174823       1.62449911 
O       9.05568001       9.45187000       0.86516700       2.43148085       0.17102598       0.79893197 
96
Lattice="10.58402026 0.0 0.0 0.0 10.58402026 0.0 0.0 0.0 10.58402026" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.024241820767929162 0.015686332657538677 7.189083182507515e-05 0.015686332657538677 0.025896704228078576 0.000790812157380845 7.189083182507515e-05 0.000790812157380845 0.026794036770156324" pbc="T T T" energy=-934.89287255 free_energy=-934.89287255 config_type=crystal 
Hf      10.39139998      10.48120000      10.28759995      -1.56751456      -0.80827429       0.73457142 
Hf       4.83422998       0.13335305      10.34459998       0.54619687      -3.20610926       2.73095704 
Hf      10.38390004       7.81746998       7.80360004       1.03525962      -2.48154313      -0.29785524 
Hf       7.79112000       2.79417002       5.39797999       3.68226272       1.63394703      -2.13562750 
Hf      10.33200003       5.29771005       0.28779803      -1.18029118       3.96494184      -0.48072111 
Hf       0.62777296       7.47883002       3.11567996      -3.92387740       1.15736450       1.32862200 
Hf       2.78836998       4.95053005       2.25610003       0.99379383       0.17448510       2.58997845 
Hf       7.91801002       5.47473001       2.64217005      -0.66815235       2.16795136      -0.02395415 
Hf       7.46198004       8.14473995       9.95059004      -0.18928276      -0.25934119       2.25859404 
Hf       5.06764996       7.91324001       7.75855001      -1.20963371      -2.92166651       3.41184978 
Hf       5.48323999       8.10660996       2.56515003       0.54567709       1.17609860      -0.97255302 
Hf       5.26575001       5.45485004       0.28660003       1.32160245      -0.07211829       0.48268409 
Hf       3.23003003       8.07739002       5.13132999      -1.99218713      -1.78332828      -2.65623748 
Hf      10.17380004       5.39040003       5.45344004       2.55878167      -2.85517762      -0.19272659 
Hf       5.62208000       5.63861996       5.63475002       1.04550044      -2.32811854      -4.41527983 
Hf       2.70661001       5.14203996       8.14242999      -3.56031167       1.01698725      -1.97537588 
Hf       2.43338004       7.96408999       0.21538703      -0.30504487      -1.78789275      -1.48035473 
Hf       2.41930001      10.05160001       7.76805996      -1.20881094      -0.81418587       0.57231564 
Hf       5.36043995       2.46064003       2.90186000       0.82609249       3.05126270      -3.29399542 
Hf      10.32329996       2.46527001       8.09925999       3.46449756       3.38908904      -4.63759967 
Hf      10.50320005       0.08089102       5.14788001       0.49854715       0.99736468      -2.83433350 
Hf       8.05584995       5.22150997       7.94545005       0.16653523       1.14265207       0.40611792 
Hf       7.61473995       0.14884996       7.64402996       3.00339065      -1.03093569       0.89969135 
Hf       7.91585998       2.38577999      10.39100001      -1.04633018       1.77227431       2.60117874 
Hf       7.99545002       8.47767004       4.83406000       3.86655661      -3.81223669      -3.31327399 
Hf       2.78730004       2.85535000       5.26793000      -0.70661098      -0.14599770      -1.35402957 
Hf       5.19013004       2.95581003       7.93290999      -0.18529705       0.72501339      -0.75557262 
Hf       5.21024995       0.36082005       5.69889003      -2.12686898       1.40525574      -6.33247164 
Hf       2.41982000       2.58438003      10.18600003       1.64664919       0.00266429       5.24438010 
Hf       2.84381003       0.22507099       2.41515001      -0.86087841       0.94761047       3.13195617 
Hf       0.27187702       2.68553998       2.71808997      -0.99369002      -0.49084925       1.36387927 
Hf       8.04685004       0.29585099       2.09267005       1.37077424      -3.10196546       2.66680283 
O       6.36836996       1.24396001       9.72577000       0.15700238       0.80615560      -2.21340436 
O       8.62011995       9.08951003       8.49612000      -0.66987259       1.65062279      -1.59561518 
O       9.15208001       4.33449001       1.72380996       2.07490336      -3.72131063      -2.07967142 
O       6.67720003       6.93676995       6.71973996      -1.14290668       0.85289467       0.17601798 
O       9.12376997       6.59489001       6.52066004      -1.66491044       1.23768643       1.90250803 
O       6.04275998       9.38668000       8.57161000       2.00439466       1.93009221       0.17816956 
O       3.58733005       6.50697998       9.15689997      -0.15392206       1.91065713      -0.09954998 
O       1.52428996       6.39862999       1.62064995       0.47166067       1.95256583      -0.91772469 
O       6.53637995       4.18546997       6.82138000      -2.91321026      -0.08859953       1.10279976 
O       6.67340999       4.28024998       1.43800003      -2.30627274       1.09737827      -0.12763558 
O       1.44146005       3.63417005       9.02083000       0.13801765       3.68604425      -2.70118238 
O       3.44430998       1.15279995       9.28870997       0.93743435       0.57474057      -0.29322503 
O       3.83623995       1.44700999       6.82237002       1.54013108       1.19770181       0.31865801 
O       1.93272000       3.85147999       3.66670004      -1.92250936      -1.20669543      -0.45654197 
O       4.13889996       9.42846000       6.36145002      -0.12899569      -1.22218143       2.93954918 
O       9.03190004       1.23205997       6.45503001       0.53959370      -0.80926939       0.61268613 
O       3.93317995       4.18789001       6.48924995       0.34834753      -0.65317304       2.27887801 
O       1.60047003       1.01305003       3.90792997      -1.58088399       0.71911908       0.55145760 
O       0.84839697       9.39833999       0.90347303       2.45407640      -0.99640485       0.87714963 
O       0.66979099       5.67750005       7.25311001       1.86137742       0.94594214       0.05437561 
O       3.60893997       9.21641995       9.23302003       0.36304632      -1.27752370       1.25290620 
O       6.77599995       6.89180998       0.99611200      -0.19444943      -0.07073309       2.28813484 
O       9.34346005       1.31567998       3.80752995       0.38750758      -2.79499237      -1.77385195 
O       1.37919003       0.40665700       6.54803000      -1.94736701       1.09936042      -1.34962045 
O       9.59134997       4.13210005       8.83585001       0.04281522      -0.02065865       3.83083083 
O       9.57989997       6.67089999       1.55052997       0.15783388       0.33223956      -0.45084879 
O       7.01390004       1.84911005       1.70195999       0.91639604      -0.35612240      -3.03395899 
O       3.85015995       3.83133998       1.10746997       0.27134162       0.69685884       0.10070246 
O       4.70044003       9.73296999       3.91570996      -1.01656081      -1.59428140       0.05790215 
O       6.75910997       6.95327996       3.67701999      -0.83573176       0.38476734       2.20593955 
O       4.02226004       4.15090997       9.45808001       1.51780287      -2.73204174      -3.46148986 
O       1.84229002       8.20818004       7.01170005       0.98116053       0.98175369      -0.65045899 
O       3.58611997       9.28949001       1.33330999      -0.78310118      -0.16924114      -0.60085083 
O       9.28577005       6.58462001       4.04994000       1.17364220      -0.64213688      -0.24302134 
O       1.99356996       1.95155998       1.65414996      -1.13226194      -1.60879207      -1.59867220 
O       6.09082996       6.60320005       9.41889003      -0.39218751       1.35273540      -3.54985914 
O       0.96941804       4.05923002       1.04454998       2.19049980      -1.55576613       1.10257035 
O       1.49633005       6.34595004       4.51262997      -1.05282881       0.66029966      -0.13278304 
O       4.40940000       3.94192997       3.80092997       0.08129578       2.22955240       0.46051088 
O       7.13934005       3.80496005       9.27057997      -2.01130911      -0.26802822      -0.41220829 
O       0.49270805       9.44428004       8.79565000       2.24103039       0.68826615      -1.49679174 
O       3.98625002       6.75026999       1.21104000       0.66898462      -0.86907248      -0.93964262 
O       4.26441004       1.25421995       1.48007998       2.10110497      -0.80055725      -1.33625894 
O       8.88478004       4.02905995       6.64781995       1.70902748      -0.70267365      -0.66952200 
O       1.11146004       3.16543004       6.20784995       0.27074156      -0.52321614       1.10865487 
O       9.81816002       8.99552996       5.92799004      -1.08302465      -0.06136311       2.44164071 
O       4.17150001       6.78762999       3.62712003      -0.45547490       1.40814870       2.28416435 
O       6.81113996       1.77290002       4.05431999      -1.22868494      -1.06692819       0.72667047 
O       0.89203499       6.96507003       9.62364997       0.27129206      -0.26245344       0.87722561 
O       9.79737005       1.33104999       0.95654099      -1.70348360       2.47448232       1.87455809 
O       8.72348995       6.71813997       9.17056002       0.72529868      -0.10352345       0.67871869 
O       1.90189997       8.97208001       4.05137001      -0.22475545      -0.04456940      -1.49183720 
O       4.15665000       6.67992001       6.49106998      -1.60132180       0.34644600      -0.39423245 
O       0.94145495       1.44385003       9.34319005      -0.98216325      -2.07664519       0.65155901 
O       6.16643003       9.54189995       0.97922996      -1.73579095       0.11354543      -1.44977660 
O       4.20886002       1.63642998       4.11794000      -2.26485766      -3.59155234       3.19244299 
O       7.20235995       4.59780996       4.51729996      -0.36407690      -0.14138091      -0.79582193 
O       6.93572001       9.89736004       5.60708001      -0.00882327       0.99395818       4.11273526 
O       9.68623995       3.45146996       4.33291003       0.73945986       2.67607949      -0.22378165 
O       9.86127996       9.03460003       3.60669997      -0.69614945       1.34681350      -0.36703150 
O       7.15905999       9.25350995       3.19124997       1.34742144       1.44604068      -0.20509604 
O       8.93218005       1.42514002       8.93708003      -2.16469840      -2.13930953       0.78439275 
O       6.49100001       1.69353003       6.62735998      -0.99226907      -0.45955601       3.12787682 
O       8.41797998       9.85048997       0.35299496       1.82287790       0.01258280      -0.31203611 
96
Lattice="10.5844237 0.0 0.0 0.0 10.5844237 0.0 0.0 0.0 10.5844237" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0012595813119482015 -7.135517927038273e-06 0.012405611392628805 -7.135517927038273e-06 0.017844199190551566 0.018365963363831405 0.012405611392628805 0.018365963363831405 0.018786803308221137" pbc="T T T" energy=-932.20537794 free_energy=-932.20537794 config_type=crystal 
Hf       0.05954924      10.41420002      10.36170001      -2.57122584      -1.15904782       5.08786395 
Hf       5.65359001       0.41542603      10.37449997      -2.01499418       3.66765154       3.81666033 
Hf       0.27040599       7.48814001       7.81755998      -1.36856156       2.61925627      -2.73003716 
Hf       7.40550995       2.59165002       5.47581995       1.69450410      -0.77895072      -1.46821348 
Hf      10.44549996       5.22195996       0.08384917       2.92016686       1.00632249      -3.44925350 
Hf      10.49820002       8.04978996       2.37880996      -1.87769321       0.77532377       3.48010843 
Hf       2.46576005       5.27880001       2.58427003       2.06162550       1.88355406       1.35401711 
Hf       8.07850000       5.11698005       2.49918005      -0.17421325       0.30707806       2.02729161 
Hf       8.04303996       8.11227003      10.31129995       1.18952677       0.77292219       0.16898626 
Hf       5.04063005       8.53338995       8.11522001      -0.63399123      -1.07004675       1.14641880 
Hf       5.45842996       8.19644996       2.42060002      -0.68634881       0.02557590      -0.49754030 
Hf       5.74917995       5.77320998      10.29300001      -2.80032111      -0.01628649       1.43428360 
Hf       2.65243001       7.89442004       5.12296004       0.73979057      -1.61369350       0.92568383 
Hf      10.25500002       4.78249003       5.10829002      -0.92242776       3.53904908      -1.95332338 
Hf       5.04644005       5.70419001       5.34796001       2.01271551      -0.61009542      -0.65527440 
Hf       2.67686998       5.46995004       8.24271998       0.72948517       1.20543882      -2.48081072 
Hf       2.48564003       7.97585004       0.17559601       4.20428479       0.43251987       3.62663406 
Hf       2.53160998      10.54080000       8.12619997      -1.18751280       0.28302329      -1.52147964 
Hf       5.47997000       2.41903003       2.52556003       2.82948034       3.55527451      -1.60540331 
Hf       0.08945415       2.48932002       7.98578002      -1.77504636      -0.78503180      -2.16015085 
Hf       0.06344484      10.24129997       5.40167998       1.14841401       1.83960336       0.20339384 
Hf       7.95111995       5.31364997       7.70648005       3.21034873       0.90627576      -4.93336640 
Hf       7.94649996      10.53187659       7.84261003       2.49489217      -0.14795426      -2.17460777 
Hf       8.08562998       2.82584002      10.26169996      -2.33960720      -1.57862854      -2.30243475 
Hf       7.72921000       7.68444000       5.16295000       0.60357342       0.15544560      -1.28891861 
Hf       2.51664001       2.64653004       5.50584003      -1.21057008       2.00257026      -1.06777367 
Hf       4.87936005       2.94497004       7.72164002       1.37432365      -1.78987481       0.39180109 
Hf       5.13268998      10.47849997       5.26358998       4.26548917       2.34842118       1.93780124 
Hf       2.83497999       3.02709998       0.23360998       1.49135308      -1.63943295      -1.14910693 
Hf       2.84749999      10.55690526       2.82105004      -4.97052703      -3.38044784      -1.99223255 
Hf       0.29243800       2.40392997       2.49806995      -2.67827336       1.03630111      -1.13168821 
Hf       8.12343003       0.32811597       2.72405999       0.56776716      -0.91934175       0.81848188 
O       3.27033004       1.76173996       8.45067003       1.26317706       0.96537290       0.71552890 
O       9.40184001       9.49671995       9.00191000      -2.14698321      -0.45706183       1.31805334 
O       9.15657997       4.04315004       0.78407696      -1.06990309      -0.42455580       2.50559521 
O       6.58343999       6.70844002       6.44785003       2.92332198      -1.21034795      -1.05260461 
O       9.54379005       6.20630004       6.55244996       0.98441904       0.86450837      -0.86100947 
O       6.44043998      10.02259995       9.02149002       2.44261849      -2.91210080      -0.34854438 
O       3.66126001       7.26118001       9.31575996       0.02569845      -1.17246068      -1.23214784 
O       1.43840995       6.38141002       0.58549200      -0.50655416      -0.99286471       2.68249528 
O       6.46144001       4.09490999       6.61888003      -1.59609778      -0.22742829      -1.63245381 
O       6.54796005       4.48997001       1.47121002      -0.19681157       0.93280906      -3.35025283 
O       1.22235000       3.65267996       9.09573996       1.40700632      -0.89320818       2.69913135 
O       0.84352004       0.78561403       9.03923999       3.19213330       2.07116859      -3.13427773 
O       4.11873997       1.33512005       6.04600995      -3.77898730       1.86010449      -0.89499647 
O       1.58823998       4.29693002       4.13909996       1.01202608      -0.30843549      -1.32116664 
O       4.24915997       9.35199997       6.58966998      -4.17857834       0.57423190      -0.12774526 
O       9.10674998       1.24858995       6.94754004      -0.65314415      -0.24453756      -0.63443231 
O       3.00604005       3.82455999       7.16980997       0.92841511       0.14213681      -2.06033034 
O       1.45018999       1.63467999       3.63252997       3.48127067      -2.01065846       4.69826361 
O       1.31721999       9.04339998       1.63589000       0.20108038       0.51161402      -2.00036954 
O       1.83958999       6.83579996       6.63211003      -1.96264596      -1.53698103       1.13025860 
O       4.08297997      10.12429996       9.38934002      -1.35712706      -2.47527046      -0.75878730 
O       6.72957998       7.22287996       1.10146001       0.34468637      -0.74718089      -2.00196710 
O       8.85692001       1.45765995       4.18030004       0.46858935       0.00411776       0.43323836 
O       1.08231003       1.10060002       6.44593002       2.08048300       2.09750073       0.35682019 
O       9.21331004       3.98179002       8.69410003      -0.19907048       0.30643772       1.39552827 
O       9.35191995       6.68058002       1.20433002       0.12023920      -1.49562855      -1.45740555 
O       6.93187996       1.76330000       0.97503097       0.94118173      -0.37556998       3.59443814 
O       4.00248003       4.06334999       1.72432000      -2.49215133      -0.70522583       0.18205562 
O       4.30489998       9.29928002       4.03099002      -0.92712837      -1.24756522      -2.16592242 
O       6.48867997       6.75887999       3.80445996      -0.62349284      -0.51737212       0.47660502 
O       3.95079004       4.42413997       9.31481996       2.02706851      -0.70072147       2.78972584 
O       1.57387004       9.29326997       6.81156004      -0.24156469      -1.08476230       0.70084439 
O       3.68212001       9.14553004       1.54131002       1.25582684       1.36341189       0.08770848 
O       9.09761997       6.68269003       3.89606000      -0.57474571      -0.21015423      -0.01814751 
O       1.51961005       1.07855997       1.23531000       2.06652251       1.16846810      -1.51827771 
O       6.25348000       7.22663002       8.95227000       2.01714357      -1.10426087       3.34029456 
O       1.29717002       3.88575998       1.35256001      -0.46405196       1.13646775      -0.32110999 
O       1.33419000       6.90417999       3.75767999      -0.36377672       0.19129797      -1.74188965 
O       4.26152004       3.94576996       4.87234999      -1.07800909      -1.49846257       0.15685043 
O       6.59273005       4.67433003       8.73615004      -3.51202781      -0.66884400       7.01207879 
O       1.33534000       8.77983005       9.41946001      -1.38004207       1.35959301      -0.84085199 
O       3.99995998       6.75285999       1.37668995       0.91003609      -0.61083694      -0.54967264 
O       4.33570997       1.77527003       0.62426497      -0.73113457       0.51060984      -0.19558762 
O       8.96654003       3.69092995       6.12385002      -3.39459669       1.24678920      -0.25833303 
O       0.54487396       3.58121002       6.15725997       5.00519777      -3.48880209       3.89111096 
O       9.70118000       9.11657000       6.64319002      -2.61363585      -1.59982826      -1.17752170 
O       3.90565002       6.54504997       3.94877001      -1.22703430       0.48666826       0.39756413 
O       6.41579002       1.08208003       3.95951002      -1.20095088       0.29271776      -0.56284962 
O       0.88665897       5.86838998       8.83802999      -2.20927568       2.20253556       0.76524835 
O       9.78116999       1.02095001       1.73817004      -1.80227374       0.61922601      -2.68496965 
O       8.85560998       7.02592997       8.70470996       0.03743369      -0.50223171       2.92551748 
O       1.73997997       9.42123999       4.45588001       0.58013190       2.55265435      -2.03549925 
O       4.22543001       6.81010998       6.76606004      -0.86540081      -0.94766245       0.34206626 
O       9.17561002       1.42926998       9.41321996      -0.36325433       0.08602839       1.54459167 
O       6.41245000       9.92001000       1.29383995      -0.45571853      -1.38276720       0.19909601 
O       4.00505003       1.37061005       3.01764005      -0.09745789       0.37905457       2.45652336 
O       6.86321002       3.52336000       3.69489996       0.36525312       1.36206293       0.00880062 
O       6.49705998       9.13972004       6.91266997       4.38232040       1.70814915      -3.68237232 
O       9.56495000       3.96827001       3.32645003       0.03218100       0.69594215      -0.49119365 
O      10.16770001       9.90809998       3.42088997      -1.93317541      -2.71150960       0.70322890 
O       7.22420999       9.26036003       3.58658002      -0.14614206      -2.05743287       2.02532926 
O       6.34811999       2.15292999       9.35914996      -1.00746889       0.25233679      -2.00214642 
O       6.25661003       1.50718002       6.73331003       1.26835497      -0.99322071       0.76918361 
O       9.20084996       9.24149996       1.06630003      -0.73983083      -1.30083940      -1.04674909 
96
Lattice="10.5847409 0.0 0.0 0.0 10.5847409 0.0 0.0 0.0 10.5847409" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.01789353983063688 0.00043983639559546874 0.00795184242773342 0.00043983639559546874 0.04615837895766654 0.017439008494612034 0.00795184242773342 0.017439008494612034 0.05492861005302719" pbc="T T T" energy=-935.9903702 free_energy=-935.9903702 config_type=crystal 
Hf       0.02923855       0.08548851      10.39369998       0.20041047       0.43763596       2.97078853 
Hf       5.09001000       0.20820302       0.20403803       1.31762258      -0.62380232      -2.83910970 
Hf       0.18646704       7.88385998       7.71205005       1.50425924      -0.29694795       0.31494499 
Hf       7.68355000       2.32789000       5.27011000       1.19566951      -1.95775521      -2.82858957 
Hf      10.31060003       5.34977002       0.18328103       2.01107178      -2.14624304       0.25852197 
Hf      10.49860006       7.88505002       2.43505997       0.42454528       2.66499351       1.25539440 
Hf       2.56437005       5.21435996       2.17079995      -4.73723685      -0.97534378      -2.14580961 
Hf       7.76001999       5.51200001       2.52777997       0.56213288      -0.79575523       2.11592460 
Hf       7.87817005       8.11923995      10.52204409      -0.36314488      -2.17192025       1.56162717 
Hf       5.01881004       7.85839002       7.89485996       0.31318675       2.51049160      -0.76820000 
Hf       5.04419998       8.26737002       2.72940997       0.87687117       0.64402740      -1.45466556 
Hf       5.41474995       5.57532005       0.06271766      -1.71135450      -2.80776789       0.07965401 
Hf       2.94844002       7.81560004       4.95875995      -1.93882613       2.10877981       1.75041329 
Hf       0.20718805       5.30862004       4.96451996      -0.26068772      -1.70670941      -2.47395903 
Hf       5.43513998       5.34607997       5.14351004      -0.66342382       0.61675946       1.88085709 
Hf       2.74050998       5.26634003       7.70041001       0.17757261       0.53043818       1.20011001 
Hf       2.69782003       7.93519004      10.52461269      -0.79504562      -0.81321018       2.16285030 
Hf       2.55931001      10.49190002       8.09381996      -0.99574070       0.53688084      -3.79558342 
Hf       4.96558997       2.71210001       2.60676998       2.80418549      -1.00837133      -0.02490319 
Hf       0.13192197       2.95243999       7.87021000      -1.34275442      -0.86273039      -0.38471499 
Hf       0.18281097      10.47340001       5.22469003      -0.08609571       0.95552758      -0.32240659 
Hf       8.04171996       5.62583001       7.86709999       0.66174298      -2.34457451       1.27799350 
Hf       8.06744998       0.26851297       7.91263005      -1.04633319      -0.20665975      -0.61424981 
Hf       7.98210003       2.76104999       0.32278802      -1.41712279      -0.30853841      -0.70587094 
Hf       7.90774000       8.05825004       5.58744995       0.13068076       1.58002649      -3.20866924 
Hf       3.01332998       2.42822996       5.43608001      -0.87971401      -2.28157225      -0.81831225 
Hf       5.59301001       2.92706995       7.93307998      -0.08257931       0.13179625       0.91050173 
Hf       5.20652005      10.51589997       5.34212000       1.75703695      -0.92811897      -1.34982237 
Hf       3.08886005       2.74040995      10.04709999       1.54484909       5.12752813       1.94143767 
Hf       2.45532001       0.30492003       2.43202998      -0.61613567      -0.91691812       1.56074510 
Hf      10.15380000       2.34071998       2.87456996       2.22495599       1.26507720      -1.44610685 
Hf       7.74624999      10.20560003       2.64469002       2.26803141       0.51710971       0.47753107 
O       4.82050005       1.59315995       9.24818005      -2.15833867       0.37139955       1.19194380 
O       8.85155997       9.15050004       9.32493001       0.77762246       2.40807018      -1.65285494 
O       9.29228000       3.79354002       1.75848005      -2.09256877       2.54629799      -0.49517581 
O       6.22233001       7.21580003       6.40714001       1.80835006      -0.95178624       1.54735278 
O       9.04267995       6.84666005       6.83659005       0.06502930       2.15867594      -1.77729121 
O       5.80860996       9.60361004       8.46286997       1.61613725      -1.26952041       1.38862665 
O       3.77947004       6.71503997       9.14346002       1.61414368       0.13089448      -0.15020798 
O       1.19583005       6.78041005       1.18183999      -0.89731512      -0.63739147       0.76785056 
O       6.54445999       4.60923000       7.11673004      -0.76121642      -1.37094019      -2.67817771 
O       6.48064003       4.16308000       1.42255996       0.94032183       1.28328544       0.70245290 
O       1.72295999       4.05417000       9.24322999      -1.01411247      -0.51982625      -4.60114310 
O       2.26973002       1.14022999       9.63637998      -3.01444820      -2.66872855      -0.34055389 
O       3.78822002       1.13444998       6.79400002      -0.95222809       0.17225915      -1.58118492 
O       0.93540298       4.07010003       3.34518998      -0.99331185      -0.04194383       2.41221685 
O       4.44603997       8.86955995       6.15547002       1.11424673       0.92528488       1.24497535 
O       9.10904998       1.64535997       6.72073995      -0.93856615       0.07091723       0.24596339 
O       4.40160999       3.73742999       6.02871002       0.19512021      -0.74900679       0.29585082 
O       1.62967995       1.36942996       4.10191999      -0.98005939      -0.58315026       0.07336221 
O       1.54588998       9.28647998       1.13667998       0.04833971       0.79657086      -0.66574882 
O       0.95481095       6.31675003       6.59031001       0.91050930      -0.63883287       0.31857914 
O       3.48029996       9.40848997       9.33861004       0.79294549      -1.69567248       0.82330885 
O       6.41036000       6.75247999       1.57879000       0.77714699       0.02728590      -0.04572446 
O       9.17670003       0.86456195       3.83233003       1.37398057      -0.12485425       2.68579310 
O       1.09836999       0.96714704       6.74360998      -0.18453853      -0.01757591      -0.76380826 
O       9.13351005       3.94259995       9.76288996       1.26130371       0.53535593      -0.60118362 
O       9.15410997       6.69337004       1.34797998      -1.65876220      -0.29418318      -0.88563207 
O       6.07656003       1.59317995       1.07360995       0.54741490       0.61842213       1.40462014 
O       3.75019995       4.33026005       0.58712404       2.19834590      -0.33070293       0.72107724 
O       3.82104997       9.59846998       3.94788004      -2.04788903      -3.22424287      -1.95367891 
O       7.02881000       6.17311997       4.41121998       2.09926628      -0.13368527      -2.66048104 
O       4.38550002       4.42242997       8.73473999      -2.31791983      -1.33661732      -1.61083987 
O       2.24650996       8.59193003       6.71389999      -3.14911889       1.12877455       1.58957386 
O       4.14970999       9.26389998       1.15040002      -1.23200603       0.92634980       1.08368055 
O       9.58885004       6.39745995       3.81370998       1.06865406      -0.57716474       0.33667958 
O       0.95007502       1.22931996       1.58890996      -0.89330490      -0.13835924      -0.42750867 
O       6.68040002       6.87034002       9.39006999      -1.81618452      -0.11916980      -0.22333687 
O       1.26825995       4.09228004       0.83513500      -0.68360876       1.53136279       1.10539044 
O       1.92820002       6.32934005       3.92867001      -0.85694027       0.59266965       0.52060656 
O       3.69748000       4.11198004       3.23154998       2.44261767      -1.49379549       2.74846870 
O       6.47717004       3.68844000       9.55315004       0.85741581       1.18163268       0.61674642 
O       0.71526503       9.82366003       8.62414998      -0.28042942      -1.66653436       1.15930938 
O       3.84225004       6.56819002       1.37310996       0.99355536       2.70490074      -0.88524083 
O       3.52343998       1.77869003       1.45795004       0.08962326      -1.31575847      -1.91303424 
O       9.50604001       4.37095997       6.99454000       1.20782600      -0.74424831       0.74572990 
O       1.78843000       3.51067002       6.50814003      -1.33676705       2.10539798       1.18169371 
O       9.71822998       9.14543006       6.41382004       1.31380798       0.65037368      -0.39092278 
O       4.57218997       7.05198000       4.16270001       0.95240720      -2.21751604      -1.58354254 
O       6.59947005       0.79577500       3.66821997       0.35682603       3.97584111       2.20063752 
O       1.39149004       7.06051998       9.27003003      -1.82747234      -0.04057055      -1.59306120 
O       9.07816000       1.26986005       1.33780000      -1.66992125       1.13090046      -0.67238944 
O       9.05846000       6.40590996       9.32110997       2.46558544       1.75952509       2.34050617 
O       1.11348002       9.17571998       3.91544003      -0.56010802      -0.11757653       0.46052199 
O       3.80239003       6.34255002       6.22458996      -0.68481265      -1.78586926       2.32774542 
O      10.06539995       1.55471003       9.19396998       0.95578056      -0.24434105      -0.06315985 
O       6.56125003       9.40362999       1.08114999       1.52284470      -0.17445215      -0.78836883 
O       4.23553996       1.15185998       3.79472001      -0.75470055       3.73466190       1.22726015 
O       6.51233995       3.50693000       4.07534001      -2.74227530       0.98315323       0.33671658 
O       7.52458995       9.99728005       5.91753997      -0.33262734      -1.93504057       0.64070286 
O       8.91794005       3.57938002       4.47551001       2.10304609      -0.23784734      -0.25427182 
O       8.81793002       8.74667005       3.50438998      -0.89215263      -1.25585219       2.72456446 
O       6.28553997       9.18864999       3.93111000       0.66634445      -2.44888692      -0.66600748 
O       7.58422999       1.34886995       9.46502996      -0.45018622      -1.01485777      -1.14930547 
O       6.22500996       0.95832603       6.83146005       1.45859776       5.02438532       0.79662887 
O       9.54251005       9.54741999       1.55280001       0.54010453      -1.83227991      -3.43162261 
96
Lattice="10.58495535 0.0 0.0 0.0 10.58495535 0.0 0.0 0.0 10.58495535" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.023735101477770863 0.010200918692621583 0.00453674663307133 0.010200918692621583 0.009653275275154983 0.00640038100473573 0.00453674663307133 0.00640038100473573 0.036169822969370345" pbc="T T T" energy=-931.74224948 free_energy=-931.74224948 config_type=crystal 
Hf      10.45739997      10.50590002      10.29389999       0.05982531       3.20106448       1.24616791 
Hf       5.11756002       0.33088803       0.21201496       1.62167065       1.18187184      -4.29268283 
Hf      10.33370005       7.68645998       7.83517003       0.31953482      -0.44963818       2.40500569 
Hf       8.43833000       2.92772995       5.13453998      -6.65312737      -1.35743993       1.74868313 
Hf      10.36640005       5.13229999       0.00688054       2.65693818       2.34525281      -0.04161214 
Hf       0.23203503       7.66741003       2.38880002      -0.61797969      -1.32083367      -3.43993922 
Hf       2.77081000       5.34867998       3.01743004      -0.92769114       0.61166706      -1.15780094 
Hf       7.72323000       5.59359002       2.45156002       0.86581269      -1.21529755       0.08116449 
Hf       7.94895005       8.23727005      10.22600004      -1.46219028       0.36968474       0.51797679 
Hf       5.01165002       8.03686001       7.65183998       1.71599898       0.13766981       2.16425233 
Hf       5.34447997       8.10720995       2.34956000       2.05445858      -1.37029964      -0.62469175 
Hf       5.00494001       5.33294999       0.29232397      -0.84257858       2.09038179      -0.58454519 
Hf       2.29792003       7.86878997       5.51586998       0.47307011      -1.91858039       0.51633979 
Hf       0.39492299       5.09924000       5.35236005      -1.79329259       0.90832504      -0.52378641 
Hf       5.51565003       5.53245004       5.23301997      -1.35698891      -0.03307628      -0.94384537 
Hf       2.78628997       4.94910998       7.81991997      -0.21622628       1.38926444       1.12704638 
Hf       2.53404000       8.33392000      10.07469996       4.78464713      -4.55193229       1.32141125 
Hf       2.67518996       0.32728999       7.83690004       0.81834532      -0.70896922       5.96635000 
Hf       5.28378997       2.56099004       2.69557997       1.81501452       1.27839339       1.60651490 
Hf      10.50520004       2.91705005       7.95098998      -0.04435005      -1.96559638       3.76623806 
Hf       0.02104152      10.34069999       5.12047998      -1.56004247       0.37487726       0.77610943 
Hf       7.85932003       5.32142996       7.71611998      -0.88027456       1.19634014       0.11729925 
Hf       8.14357001       0.20546404       7.82903997      -2.99420687      -0.68477705      -2.30902418 
Hf       7.52785004       3.32076999      10.26780003       0.56085117      -3.26094873       1.97479401 
Hf       8.32809997       7.87754997       4.77668995      -2.31762872       1.56164695       2.40865558 
Hf       2.87399998       2.37552998       5.41335003      -1.85408582       1.01583043      -3.81431593 
Hf       5.36915001       2.61364003       7.88442998       0.40376871       0.32907109       0.74575045 
Hf       5.35665003       0.29872501       5.27639997       6.15812762      -2.26941657       0.96065544 
Hf       2.97770005       2.88153001       0.37194104      -5.17160166      -0.82928823      -2.54532632 
Hf       2.51242997      10.14849996       2.62800996       0.50028746       1.52789914      -0.18324459 
Hf       0.00208693       2.00589000       2.49842004       2.98181519       1.77784892       0.76065052 
Hf       7.83937999       0.29717304       2.21992002      -1.33046329       0.38138254       2.66681703 
O       3.71231003       1.49296995       9.42674996       0.40347299      -2.17459474       0.99764410 
O       9.22704001       9.32988005       8.59570998       2.06124160      -1.25352431       2.06669818 
O       8.79171001       4.29019005       1.17660998       0.44472516       0.21510201      -0.25648282 
O       6.03061001       6.34603999       7.20426002       3.32095318      -1.36139300      -2.36811434 
O       8.96496996       7.23641002       6.48751003       0.05639301      -2.76707176       3.91618840 
O       7.07042003       9.07910001       1.50442002      -0.06184822      -0.04281685      -1.41761719 
O       3.27865996       6.78829001       8.89762000       0.99515830      -0.46580850      -0.39680604 
O       1.27318997       5.96852004       1.64959003      -1.17888159      -0.89780007       0.18788159 
O       6.71622001       3.74934001       6.98854000       1.47731937       3.64841901      -0.45965188 
O       6.28340997       4.01490998       1.21903004      -0.43096970      -0.75651129       1.31286587 
O       1.39843995       4.34329001       9.51616997      -3.10472663       1.13053355      -1.21999447 
O       1.10356998       1.62650996       8.96635997       1.20753246      -1.65495743      -1.75551338 
O       4.40579999       1.05283999       6.98191001      -2.62512004      -0.31966127      -1.12476431 
O       1.70612004       4.15811003       4.31821997       2.08357961      -0.65005206      -0.66164697 
O       3.78900999       8.86669002       6.32513004      -0.56941064       1.74229334      -1.25223420 
O       9.41755999       1.83620004       6.68227003      -0.25431524      -1.28258467       0.33884898 
O       3.87859004       3.59627997       6.53484002       0.80704381       0.84864264       3.17158239 
O       1.36138996       1.48160002       3.86848998       1.32830587      -1.92095071       0.22714629 
O       1.87703003       8.50487000       1.27409996      -3.12202346       1.47034115       4.27140102 
O       1.32099999       6.29727997       7.01953995      -1.33514200       0.52399519      -1.89074136 
O       4.06409001       9.47702998       8.83667998      -0.96216765      -0.18784759      -0.22244270 
O       6.28340002       6.36701005       1.24985999       2.56249035       1.69438576       2.13755735 
O       9.29860002       0.62608201       3.85930002       0.19622314      -0.23765833      -1.24424277 
O       1.66390005       0.89644400       6.33117998      -0.48747044       0.28450322      -1.17817520 
O       8.99107997       3.98587005       8.96759005       0.10547661       1.86374731      -0.58489711 
O       9.08357004       6.86008003       1.46401999       0.23577502      -0.91200526       1.32656726 
O       6.48869004       1.56002003       1.34286999      -0.11959095      -2.73523558      -1.37213392 
O       3.88100997       4.12685996       1.74794004      -0.38093267       0.44523992      -1.82229705 
O       3.80234005       8.82354003       2.99734996      -2.86446966       1.90328337       3.57151893 
O       6.57381997       7.14507995       3.97684997      -0.46856565      -1.33890511      -0.19732281 
O       3.56701003       3.77131999       9.29634998       3.07334313       2.24895449      -0.25159604 
O       0.79853496       8.79278999       6.57031000       1.14569917       0.55354424      -0.14697063 
O       4.16016997       9.35661002       0.73546302       0.25840393       1.06597279       0.02079817 
O       9.00103999       6.12598003       4.36938002       0.85904814      -1.36964005      -2.92391509 
O       1.25707004       0.55932301       1.31905003      -1.48716489      -0.61668391      -0.71627661 
O       6.34356004       7.37107002       9.46218998      -0.62523150       1.42601762      -0.13149813 
O       1.08519005       3.12469004       1.08220001      -0.16225522       0.43344343       1.45787516 
O       1.07198998       6.61487001       4.03396004       1.85162540       0.64662177       1.82302301 
O       4.22203003       3.58886997       4.20113999       0.93766013       0.89729936      -0.80601255 
O       6.09145000       4.33953002       9.32275002       1.07964130       1.72739894      -0.38460861 
O       1.33394000       9.50301001       9.30721999      -1.89087785       3.06771137      -2.71968721 
O       3.93409998       7.01604003       1.33830004      -0.00547118      -3.68256096      -2.30179488 
O       3.99335001       1.53997001       1.46657996      -0.26416059      -1.08777194       0.75717748 
O       9.22898997       4.57879002       6.25712996      -0.62041722      -1.00934159       2.16185724 
O       1.34145002       3.76741996       6.78489001       0.03062756      -0.30120742      -0.57227539 
O       8.86623995       9.56372997       6.07732004       1.83802054       2.92081399      -0.39756499 
O       4.10113005       6.54578995       3.81039996       0.71438409      -1.49609584       1.47904487 
O       6.97883995       1.81347997       3.59492001      -0.11406769       0.09023485       1.17839674 
O       0.47985995       7.04549997       9.84425997       0.65793704       0.18798971      -1.39640273 
O       9.16073003       1.51402004       1.36043996      -1.44393566      -1.92464270      -0.62274311 
O       8.78305003       6.46195001       9.35480000      -0.06964620      -0.50816479      -1.65970642 
O       1.73412000       9.42541001       4.41244999      -0.14812080       0.26671768      -2.28314195 
O       3.94511998       6.24320005       6.29706001      -2.31083465       0.26072430       0.20125398 
O       9.38777996       1.81693998       9.65816005      -0.81250000      -2.54500034      -2.02719171 
O       6.04395002       9.91643995       3.58559996       0.85002158      -0.07405020       1.04703252 
O       4.03599997       1.02900998       4.10506998      -1.74758227       1.23365022      -0.22573589 
O       7.08948004       4.31348997       4.07547000      -0.73969204       1.29973527       0.10373489 
O       7.18608004      10.24129996       9.57362003       0.15516420      -1.84813609       0.88069863 
O      10.03320005       3.05427003       4.33064999       2.75426025       1.97364680      -3.09592666 
O       9.88774996       8.56955995       4.00154996       2.51726203       1.89015285      -2.26078614 
O       6.63254001       9.49235001       6.86933001      -2.80289662      -0.32604906       0.54473403 
O       6.33729004       1.83534997       9.51679003      -0.17953921       0.91588748      -2.07772179 
O       6.70214996       1.71172002       6.26892996      -0.72231410      -3.29145711      -0.14612923 
O       9.69650998       9.09706004       0.98904500       0.33611511       2.42079912      -1.02583035 
96
Lattice="10.58508246 0.0 0.0 0.0 10.58508246 0.0 0.0 0.0 10.58508246" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.015218736781856805 0.000887389424825141 -0.006926146778036921 0.000887389424825141 0.03462002567001882 -0.011612641383263905 -0.006926146778036921 -0.011612641383263905 0.036885581066893575" pbc="T T T" energy=-928.04872549 free_energy=-928.04872549 config_type=crystal 
Hf      10.42725443      10.53141143       0.16523398       0.96782785       1.96936769      -0.81059599 
Hf       5.24910005      10.52270002      10.57765914       1.09820537      -1.06983630      -1.96633824 
Hf       0.32948504       7.69523004       7.67437002      -2.75701444      -3.35400550      -1.95020380 
Hf       7.86735005       2.82562002       5.07277004       2.42210077       0.36925006      -0.90434878 
Hf      10.19079999       5.31745005       0.03624872      -0.98069380       0.43539386       0.82688489 
Hf      10.08660002       8.18849997       2.05440001       2.58603403      -1.59671229       3.36193097 
Hf       2.86297001       5.61916004       2.72466998      -0.76477906      -1.64297357      -2.16714684 
Hf       7.75347001       5.66275999       2.96187004       6.09201050      -2.12113342      -6.24894290 
Hf       7.80074998       8.28261998      10.41850004       2.33539354      -5.86049702      -1.89789059 
Hf       5.18095996       7.91850997       8.05894999       1.63721979      -1.58761962      -2.38797024 
Hf       5.07398997       7.93099000       2.35843999       0.43237770      -1.10856991       0.24025036 
Hf       5.65842000       5.06435003      10.55529974      -0.18539595      -1.39650908      -0.66690933 
Hf       2.72092000       8.08175005       5.29608998       3.09585854      -3.04410083       1.30268416 
Hf       0.45701697       5.41094998       4.92461001      -1.47931847       0.89943304       0.84552462 
Hf       5.28013996       5.26741002       5.09643003      -3.56249762       0.54310780       0.74949309 
Hf       3.10382996       5.25854999       7.84611997      -0.31014877      -1.86891558      -2.45643152 
Hf       2.42141001       7.50625997      10.23489999      -3.80285973       0.54787271       0.84480658 
Hf       2.60728999       0.01889046       8.67210000       0.10853953       0.42707164      -5.24243808 
Hf       5.11357998       2.79817004       2.38017000      -0.38080794       1.36956947       0.45485490 
Hf      10.52294559       2.78884998       7.55348997       0.86590982       4.28291483       0.95080388 
Hf       0.29678200      10.45689447       5.14250001      -3.87186516       3.63494859      -2.82650110 
Hf       7.84658000       5.30609003       7.92703001       1.36666750       0.92252991      -0.50160561 
Hf       8.19408995       0.11044803       7.53797996      -2.36142093       0.56304251       0.66602568 
Hf       7.88306995       2.39521003      10.55359999       0.70406629      -0.01224940      -2.86851566 
Hf       7.81251001       8.20753004       5.33320996      -0.01543509      -2.27425560      -0.32975822 
Hf       2.58712001       2.40255004       5.20044000       1.40830003       0.40128876       2.42357098 
Hf       5.46592001       2.55163003       7.71166995       0.39974152       0.82044605       0.65413395 
Hf       5.45229002      10.40780001       5.42011000      -1.81394281       4.38475859       3.42669443 
Hf       2.43696998       2.85992998      10.38799997       0.75181088       4.03276196       2.00383429 
Hf       2.98538003       0.22464297       2.69131998      -3.42367516       2.29735159      -0.14642238 
Hf       0.00396073       2.99840000       2.45840001       0.03560338       0.91508075       0.77533660 
Hf       7.57058001       0.37318301       2.72327000       4.35963789      -0.22802279       4.84922497 
O       4.48427005       0.72434905       8.33911998      -1.45453853      -0.45062965       3.33005745 
O       9.84147999       8.58927998       0.07187313      -2.72825575       1.84186371       0.25766309 
O       9.33821998       4.48159996       1.80574002       0.28391835      -1.22915470       0.19482672 
O       7.31017004       6.82587002       6.73600998       0.35360021       1.31561313      -0.01002733 
O      10.09589997       5.62720999       6.69922004      -1.57385826       0.66808405       0.27830235 
O       6.26530004       8.59774995       0.82777801      -3.39878864       0.89801036       2.91376092 
O       4.03582001       6.48419002       9.15162995      -0.81917680      -1.48453399       1.46409639 
O       0.97719396       6.46117996       1.19883998      -0.76464228       1.04981003      -0.45146364 
O       6.09524000       4.60914999       6.61661004       3.25498833      -2.96059825       2.20229925 
O       6.56761000       3.52354002       1.04491001      -0.16483941      -0.91601130       1.78260511 
O       1.76905996       4.12495995       8.69558999      -1.21275063      -2.43973328       0.27040580 
O       1.38926000       1.54176002       9.40150003      -0.35425887      -3.37001224      -0.99788067 
O       4.67404004       1.78096997       6.12177998      -1.25030419      -1.97253107      -1.10288864 
O       1.61730004       4.13011002       3.19915001      -0.52700451       0.59859862       0.60838195 
O       3.84755003       9.01940004       6.83842002       0.12905490       0.98512172      -0.41745037 
O      10.19960001       1.46818005       6.33037999      -2.73258856      -2.62429517      -0.40548539 
O       3.82051001       3.95460004       6.44286004      -1.89542942       0.88372980      -0.15934593 
O       1.13916996       1.35396002       4.02302995       1.79890036      -0.09076445       0.59807424 
O       1.33536997       9.05062995       0.82765903       1.91263535       1.91116508       0.34573639 
O       1.67651003       6.52814997       6.52139002       2.26596559       0.96698378       0.51156324 
O       4.06902002       8.75737998       9.41911001      -1.94486036       3.94265625       2.62380421 
O       5.95574999       5.96398000       1.89224004      -1.15951385       1.76964570      -0.12511409 
O       8.87096003       1.94987000       3.57854995      -0.93113843      -1.84954389      -0.19944934 
O       1.99853004       1.06292000       6.79072998       0.58979761      -0.99098656       0.43691953 
O       9.59980996       3.26822000       9.98628996      -0.46526534       0.66890672      -1.84572865 
O       8.26837998       6.48199002       0.92669497       1.36977819       0.95195245       1.86190680 
O       6.63727995       0.72799095       1.11486005       0.05790836       1.23419769      -0.78831530 
O       4.12548000       4.14334000       1.10001998      -1.24632968       0.77120987       0.29805412 
O       3.37108996       9.69980004       4.34030996      -0.10821945       1.07146137      -1.25577732 
O       6.71086003       6.31038995       4.27555001      -0.86503067       5.11150552       3.53187407 
O       4.37930996       3.59271004       9.14188003      -0.86064174       0.82031113       0.03868424 
O       0.99574601       8.81374004       5.62985997      -0.85028441      -1.08053735       1.79797646 
O       4.24165001       9.71555996       1.62397002       0.07814372      -0.72742429       0.26184920 
O       9.71419999       6.86409995       4.08284996      -2.39290886       1.05901782      -1.40613280 
O       1.66312996       1.82144003       1.41122002      -0.30151217      -2.21217220       1.04328296 
O       6.70655995       6.80048001       9.31902001      -2.52664495      -0.37535863       0.09210256 
O       1.03788004       4.06343998       0.71399599       1.63883207      -1.63261486      -0.67314117 
O       1.83765002       6.90349996       3.71081003      -1.15226399      -0.05201253       1.63203706 
O       4.08427005       4.14014997       3.73231998       1.41059026       0.79140183       0.14175354 
O       6.89689000       3.83932002       9.36629003       0.23002348       4.04238783      -1.30410142 
O       1.14917996       9.01439002       8.87805003       2.71409259       2.02236140      -0.29586036 
O       3.48304001       6.98100997       1.15835998       2.54935591       0.26176696       2.89857117 
O       4.21234002       1.59559999       0.83546500      -0.13277812      -1.12497499       0.00244390 
O       8.51881996       3.49736999       7.10564995       1.77719303      -0.80286318      -0.35662344 
O       1.07716001       3.60526003       5.64604996       0.74559227      -0.91172640       3.23309507 
O       9.43551996       9.20399997       7.12305002       0.47991645      -1.66837183       0.05136323 
O       4.21079005       7.18222995       4.21357996       1.51382607      -1.98426605      -2.81476681 
O       6.13698005       1.51772998       3.92563999       2.65571107      -1.49807953      -2.01801164 
O       0.74266304       6.40208005       9.08985996       4.24566917       1.32276004       1.51688763 
O       9.21457997       1.26858995       1.27035999       0.32270251      -1.29944653      -0.28928006 
O       9.09975003       6.37521998       9.10394003      -0.68676196      -0.29206713      -0.61271144 
O       0.01274910       9.90244001       3.06363004       1.32244095      -1.18785975       0.12973812 
O       4.37676001       6.53936000       6.72766999       0.96770603       0.50738412      -0.97633527 
O       9.12110998       0.52657398       9.24149995       3.34075920       0.02205117       1.26448354 
O       6.06597002       9.21853995       4.11490995       0.78159231      -2.18250629      -2.66019047 
O       3.89034001       1.53912995       3.84279997      -1.39836687      -0.12451989      -3.38654161 
O       7.06014997       3.96360995       3.65349996      -2.57316707      -0.54031190       0.65658913 
O       7.10957003       9.70245002       9.39336000      -1.94380164       1.21693612      -1.81077728 
O       9.74779005       4.09996000       4.31609003      -2.14088149      -0.69552597      -0.69880663 
O       8.40811005       9.94918998       4.92482002       1.76180755       2.75329692       0.68705095 
O       6.60282995       9.40366997       6.94917999      -0.96779091      -0.36047106      -1.98413590 
O       6.97004001       1.56920005       8.87625998      -0.88313581      -0.37545875       0.07007122 
O       7.05686997       1.42087002       6.22150003       0.43372390      -1.55746069       1.36433630 
O       8.36469999       8.97825001       2.72100998      -1.53594218      -0.04615579      -2.35034000 
96
Lattice="10.58511784 0.0 0.0 0.0 10.58511784 0.0 0.0 0.0 10.58511784" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0338268567624826 0.0011819614800360968 -0.009611582824314797 0.0011819614800360968 0.044254262563509755 -0.006212276000526197 -0.009611582824314797 -0.006212276000526197 0.025241105996046256" pbc="T T T" energy=-932.88745339 free_energy=-932.88745339 config_type=crystal 
Hf       0.02110048      10.48840003       9.93284996      -0.56946322      -0.38504098       1.86707879 
Hf       5.25505003       0.17672902      10.51479879      -2.73735576      -1.52131890      -1.61649419 
Hf       0.04773867       8.19490995       7.40021000      -1.31873402      -2.36475108      -3.12209912 
Hf       7.91376996       2.56299999       5.26089005      -1.21725120       2.95560955       3.71180247 
Hf       0.37337098       5.40632004       0.01151830       0.22301342      -0.23494509      -3.67511561 
Hf       0.23338100       8.09351003       2.35883995       0.28717520       2.79920022       1.90887818 
Hf       2.63154995       5.37585004       2.79166002      -1.27842921      -1.92000005       1.97658449 
Hf       7.61771004       5.28038000       2.79384003       2.49845405      -0.88995210       1.39705446 
Hf       8.39176001       7.75706005       0.18032299      -2.28413001       4.59718294      -2.99749283 
Hf       5.17099001       7.88545001       8.17059996       2.30860414       3.55957325      -5.06720162 
Hf       5.51216000       7.70919996       2.19874004      -1.05064834       3.99306329       2.09981049 
Hf       5.39324996       5.31423999       0.02070481       0.66181354      -0.92940093      -1.78360473 
Hf       2.92995998       8.18111998       4.78620001      -1.31412221      -1.13240990       2.41570442 
Hf      10.42869997       5.43491997       4.81178996       1.19055615      -1.03280759       3.84772194 
Hf       5.22659998       5.64291002       5.67435004       0.64718686      -3.89033275       3.13329832 
Hf       2.22890001       4.98874000       7.48713001       1.38211153       3.16344337       3.59841583 
Hf       2.82003004       7.74542996       0.04790136       0.11086618       3.01447070      -0.10080651 
Hf       2.90012001       0.40651097       8.12608001      -1.09616235      -0.41688147      -1.82932761 
Hf       5.50777003       2.46993002       2.69216002      -2.26000839       4.17099879       0.76363422 
Hf      10.30969995       2.61748995       7.79143998       2.95188212       1.04703571      -1.13993353 
Hf      10.40590005       0.37132699       5.34949002      -1.47083297      -4.85595560      -1.68810587 
Hf       7.95065000       5.50256999       7.88250004       1.35402302      -0.45062098      -0.81591774 
Hf       7.90899004       0.17149299       8.19388997      -2.93353825      -1.31380415      -1.92651480 
Hf       7.88399000       2.82294000       0.03471326       1.47350332       0.77099004      -2.59160649 
Hf       8.11373004       7.75493995       4.88517997      -2.55514493       5.63563434       4.46515878 
Hf       2.83581997       2.39421997       5.15536997      -1.79943937       2.08076873       0.75170289 
Hf       5.17628002       2.83668001       8.00525999       2.27410102      -1.40374266      -1.49157415 
Hf       5.40850004      10.10510000       5.46275999      -0.48758933       1.22520235      -1.60324228 
Hf       2.83831001       2.63727004       0.49844103      -1.57001576       1.51831481      -1.86429309 
Hf       2.37615000       0.13164997       2.48191005      -1.98884903      -1.29064004       1.65836937 
Hf      10.39320002       2.71566004       2.59325003      -0.04002480       0.11690469      -0.53801133 
Hf       7.74140000       0.29681401       2.37754004       2.54503106      -4.10546268      -0.05310682 
O       3.92815999       1.85088999       9.43676000      -0.41636465      -1.61038560       0.13366060 
O       8.85692005       9.18456999       9.28542997       2.30090416       0.27605094      -2.69211553 
O       9.33012002       4.17251002       0.73121899       1.17047666      -0.21651975      -0.05199101 
O       6.44954003       6.97201997       6.44662002       0.14215854       0.65052514       0.46360921 
O       9.08015998       6.58726004       6.22549003      -0.24206933      -0.85041921       1.70576153 
O       6.99301004       8.97430996       1.70997000       0.16800370       1.09703287       0.30487793 
O       4.42129004       7.07784998       9.58835995      -1.10105120      -3.61427215       4.92469520 
O       1.51092004       6.81961004       1.14125999       0.10250891      -1.76247760       3.84970918 
O       7.20184997       4.35879000       6.25783000      -1.44716082       1.95537623       2.62975314 
O       6.83234002       4.12783003       1.54508001      -1.31731113      -3.15021483      -2.17084297 
O       1.24541998       3.99956000       9.05417002      -1.28773072       1.39972903       1.16740754 
O       1.30453003       1.50775996       8.93716001       0.25880108      -2.80832791       0.56920082 
O       4.34966997       1.29689996       6.77983001      -1.74635586      -0.81553587       2.31530954 
O       9.28790996       4.43343000       3.43290995       0.47333394      -2.28991466      -0.90068004 
O       3.63632003       9.19361000       6.36218000       1.52877522       0.76980978       0.40158750 
O       9.19581996       1.17615002       6.76915004       0.20702808       0.01570256      -1.79398230 
O       4.25143002       3.61220999       5.97741001       0.29913461       1.76223299       0.59691928 
O       1.28554997       1.66912997       3.70306005      -1.49007532      -2.11851020      -1.02980086 
O       1.33674002       9.26490998       0.70479197      -0.73066560       1.82485345       0.50189902 
O       1.07009995       6.45935995       6.69233998      -0.98761808      -0.23277262       0.27137439 
O       3.82274005       9.49823995       9.13571004      -0.26774812       1.22727437      -0.33283495 
O       7.09870996       6.61731002       1.23061003      -2.23870134      -2.17994954      -1.54332273 
O       8.96532002       1.61724003       3.72915998       1.86908437      -0.15369709       0.73675894 
O       1.05827002       1.18710996       6.44461996       3.89012279       0.42650999       0.65698812 
O       8.93078999       3.64566002       8.60342998      -1.94506423       2.85160184       0.87216153 
O       9.82091001       6.89097999       1.11400998      -0.92040913      -0.56470660       0.28321990 
O       6.22543001       1.35884005       1.12417000       2.90766706       1.30577849       2.83055927 
O       4.63893996       3.67302001       0.95461102      -2.14475427      -0.54486669      -0.84984615 
O       4.57614999       8.84608004       3.79138005       0.69346836      -0.29844966       1.18960517 
O       6.81263000       6.84555999       3.57568996      -1.14170941       0.56302179       2.22457966 
O       4.08904002       4.35502000       8.56749996       0.13465608       1.03610600       0.88514073 
O       0.95725497       9.16040999       5.66131997       0.86000512      -0.49731615       0.81614171 
O       4.24410998       9.14607001       1.18439996       0.44748958      -1.08567536      -0.33376617 
O       9.27868005       6.77574002       3.87405998       3.22075741      -0.67634189      -4.90569713 
O       1.02932999       1.67122995       0.92481804       0.87158899      -0.64127092       2.17665797 
O       6.70461999       6.94421001       9.10846003       2.30054157      -1.69981894      -0.20837010 
O       1.70910001       4.36213998       1.09151004       1.36256426      -1.42323536       1.53673732 
O       1.53356002       6.62618998       4.23044005       0.45875722      -0.12596971      -2.35396692 
O       1.23582997       4.20720000       3.90137001      -1.28543811      -0.09188626      -1.01720994 
O       6.62426995       4.18898004       9.41410001      -0.64362537       0.52817925       0.27186024 
O       1.07959004       9.27794004       8.61769004       0.36067092       2.22369667       1.04257466 
O       4.11422000       6.21645002       1.73540996       1.36511693       0.88906569      -3.47094769 
O       3.69174001       1.02227003       1.49108998       1.29100464       2.11370744      -0.78897548 
O       9.54011002       3.76310000       5.97465005       0.61482802      -1.17220882      -0.64709928 
O       1.43463002       3.55069998       6.63637996       0.23057956      -1.60130469      -2.25557102 
O       9.11274997       9.27375003       6.53212999       0.69385741      -0.01792821      -0.03575307 
O       4.45718004       6.14831997       4.11682003      -3.67012781       1.12791818      -3.17297100 
O       6.47014005       1.10661998       3.71586000      -1.45313983       1.69237827       0.59177948 
O       2.02160995       6.54339997       9.40139004      -1.54598639      -1.16542208      -1.12891306 
O       8.97373000       1.61203999       1.28577998      -0.93429557       1.16778468       0.85262797 
O       9.66049996       6.34852001       8.93794998      -0.98934127       0.49097951       1.13558704 
O       2.13240999       8.69735004       3.02211000      -0.45147105       2.17010861      -0.39768752 
O       3.68422997       6.55908002       6.78033005       2.24060359      -0.41143418      -0.30204726 
O       9.12405995       1.41606997       9.13999998       2.07837128      -1.58868055       2.64131881 
O       7.15847004       9.59916005       4.39250995       0.17961688      -1.10805338       0.40653635 
O       3.55865004       0.73827302       4.56767004       0.62783585      -2.08179205      -2.96011481 
O       3.33428005       3.28527995       3.28550001       2.73528486       0.05682824      -0.92730212 
O       6.46142998       9.61473002       9.81422996       1.30199802      -2.19010115      -1.70032773 
O       6.53352003       3.79630996       4.14035995      -0.36346423      -0.60535297      -3.15802639 
O       9.90864000       9.46034004       3.69584004       0.36795147      -0.38876682      -1.73639519 
O       6.41071996       9.59214995       7.00727000      -0.68045520      -0.18080439       1.70884222 
O       6.54222004       1.44488997       9.26183997      -0.55512090       0.97843879       0.38639179 
O       6.99505996       1.84625996       6.92178998      -1.37558915       0.06593459      -1.67061682 
O       9.13091996       9.79429998       0.83474705       1.68071447      -1.21256739       1.76457518 
96
Lattice="10.58507097 0.0 0.0 0.0 10.58507097 0.0 0.0 0.0 10.58507097" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.016050612782727732 -0.017318760441121024 0.008337418376090188 -0.017318760441121024 0.04908642305036936 -0.007228467953937079 0.008337418376090188 -0.007228467953937079 0.024418801012378376" pbc="T T T" energy=-934.25600716 free_energy=-934.25600716 config_type=crystal 
Hf       0.04579229       0.17026796       0.27915595      -3.25694062      -2.25801949      -1.63691575 
Hf       5.62457000      10.51769996      10.36120000      -0.27940470       1.00981718       0.62369026 
Hf       0.51220502       7.86916997       7.24853995      -3.15725510       0.28788234       2.38726859 
Hf       8.01091995       2.52150003       5.37850997      -1.65548480       1.94987310      -0.15999399 
Hf       0.26476703       5.80774000      10.46569995      -1.86634240      -4.27491888      -2.11664869 
Hf       0.19357099       7.77857002       2.22982004       0.40645089       2.42488014       4.40114209 
Hf       2.52929996       5.17536997       2.58294996      -1.32445677       0.91517218      -1.74559510 
Hf       7.79856003       5.19370003       2.76057000      -4.44361815       0.20789740       0.00098557 
Hf       8.16162003       7.88433997      10.46679995      -1.55650850      -0.43982071       0.25101771 
Hf       5.29483001       7.98194999       7.53858995       1.63611447      -3.58586422      -0.65428485 
Hf       5.15869001       7.79554996       2.27228004       3.20423252       0.13784349       2.68846737 
Hf       4.95030003       5.73525999      10.30720005       4.39517149      -1.58842663      -1.42420988 
Hf       2.79471998       8.08770998       5.06713000       3.69154588      -1.35153399      -1.36976488 
Hf      10.30500005       5.20859005       5.03613003      -0.66657655       0.67506867       2.17897127 
Hf       5.18503996       4.92212003       5.15592001      -0.82815329       0.65586070      -0.47697028 
Hf       2.40832995       5.07819002       7.80053997      -0.04062703      -0.24739656      -0.92163552 
Hf       2.63919998       8.34445998      10.02439998      -1.92379607      -1.81703407       1.39640011 
Hf       2.95584995       0.10503598       7.70543004      -1.45229001      -0.52815002      -0.27924074 
Hf       5.00607997       2.45306003       2.39782004       1.03393533      -2.26663947       0.97668055 
Hf       0.16716600       2.76192002       8.13837003      -2.09905913      -0.65651317      -1.76218798 
Hf      10.47370004      10.48119999       5.16273997       0.27699967      -1.06852706      -0.63911975 
Hf       8.07289004       5.27230000       8.06629998      -0.52804433       1.16379454      -0.25473797 
Hf       8.31538004       0.06436888       8.16179998       0.70277627       2.29298066      -1.44576503 
Hf       7.92560005       2.89461002       0.16237795       0.47859672       0.93381840      -0.54720673 
Hf       8.21733995       7.96768004       5.29320997      -0.00918223      -1.34089684      -0.01506358 
Hf       2.55406997       2.52258002       5.00321999       3.05888050       1.54391243      -2.42133139 
Hf       5.35563002       3.02944996       8.33212996       0.87472183      -1.50599214      -1.56511848 
Hf       5.63756995       0.02181784       5.80173001       0.31914965       2.02409254      -3.20100901 
Hf       2.56500001       2.24798000       0.01682275       1.20353295       2.19498784      -1.01733321 
Hf       2.53699996       0.06104855       2.73203000       1.92356027      -2.63298389       0.46764380 
Hf      10.49020005       2.75160000       2.68070998      -1.65821516       1.06796900      -4.54881391 
Hf       7.77459999      10.29550005       2.65677999      -0.27970308      -1.26200753       0.88302341 
O       4.03027996       1.29667998       9.67874999      -0.22080678      -0.26555487      -0.41289952 
O       9.17210996       9.86507000       9.69812998       0.35725865      -2.11000869      -0.45709326 
O       8.87016002       3.93365001       1.66166000      -1.68952069      -0.74049326      -0.39229704 
O       6.42272998       8.68026003       5.79394998       0.22322332       2.84808233       1.51763644 
O       9.34327998       9.29997995       6.79710996      -0.55098664       0.05732037      -0.55733795 
O       6.28411995       8.73736998       0.58893398      -0.07650759       2.05233511       1.61491337 
O       3.71673999       6.37946000       8.75947002       1.63048810       3.50202694       1.89059070 
O       1.65772998       6.72422995       1.06708005       0.86998165      -2.04531415       0.24631495 
O       6.89613002       6.77605001       7.18324001       1.79411210      -1.05250469      -0.55944238 
O       6.16301002       3.63484002       1.56051997       2.71906390       1.35748058      -2.59085481 
O       1.19180003       4.06359996       9.33350996       1.48203915      -2.10899750      -0.92888473 
O       1.32762004       0.84040605       9.41611003       0.38767836       1.93086897      -2.39602230 
O       4.58030999       1.08496004       7.25199005       0.22088734       0.86938463      -0.68785067 
O       9.19273000       3.60814002       3.91579998       2.56366814       0.01081615       1.99751817 
O       4.18752997       9.29307002       6.46059997      -2.58908344       1.28847492       0.92400733 
O       9.13960004       3.90014000       6.57159005      -2.61800849      -0.23137243       1.27414500 
O       3.52650997       3.83637003       6.32051005      -0.39259480       1.10798903       0.46323795 
O       0.77989099       0.98024796       3.50338995      -0.46284451       1.02762074       1.67484053 
O       1.14177996       8.90959004       1.00645004       0.59806046       4.12485495      -3.68365886 
O       1.57016995       6.64653997       6.31740005       3.17665057      -0.97471377      -2.01427031 
O       3.96214004       9.29237997       8.95787003       1.63269753       0.38324846       1.10579325 
O       6.86698996       6.30226001       1.25741995       1.20918131       0.46844548       0.52345053 
O       8.37705999       0.81664796       4.36671003       3.81973615      -1.34107378      -1.71403848 
O       1.92232002       1.81834001       6.57128001      -1.28401128      -2.68302303       4.23721528 
O       9.20000999       4.49128001       9.82804003       0.18286984      -0.44821591      -1.87781316 
O       9.56702001       6.88068005       1.07407001      -1.44122399      -1.86083253      -1.17462990 
O       6.73035998       0.98864997       1.31057003       0.16019840      -1.16821643      -0.41643936 
O       3.26638005       3.48343000       1.41028002       1.07140979       0.37271260       0.97820987 
O       4.36991995       8.93145996       3.96741003      -1.00662105      -1.49428976      -1.35713373 
O       5.56833004       5.88940996       3.45505005       0.53075963       1.39815995       0.75627047 
O       3.78816996       4.04408998       9.20756000       1.17094591      -0.59729802       0.41550436 
O       1.64065001       9.34917999       6.14767998      -1.70082618       1.68815192      -0.91573214 
O       3.79833999       8.96989002       1.32718996      -1.47166577      -0.22631805      -2.19561946 
O       8.45595000       6.06305000       4.52339999       1.05529820       0.60013091      -1.54555647 
O       1.54432004       1.08962996       1.15725999       0.35894263       0.21227810       3.19942416 
O       6.50026996       6.91837000       9.56562003      -1.81685249      -0.19393810      -0.95876857 
O       0.57171895       3.98288996       1.18243997       1.69176637       0.65072174       0.21533807 
O       0.58351696       6.10942002       3.41321001      -0.56796949       0.41211017      -0.23736550 
O       1.39507001       3.71663996       3.52432997       1.53429693      -1.02998137       3.58002716 
O       6.84601998       4.29203003       9.34276004      -2.37977458      -0.66945922       0.63810677 
O       1.52581999       9.04391004       8.38181999       2.45535917       1.73579271       5.24469510 
O       4.31778001       6.15171003       1.48640002      -2.99768320      -0.15168887      -1.28582503 
O       4.09784997       0.89512801       1.66265997      -0.91529963      -0.43224305      -1.36593337 
O       9.74545002       6.79771003       6.31887995      -1.94597059      -1.60612071      -1.23023582 
O       0.69986404       4.34691002       6.83463997       1.94380864      -0.65646276      -0.39307125 
O       6.64602999       1.75891997       9.14815002      -0.32902273      -1.19407201       2.82029430 
O       3.03136998       6.11217998       4.16757997       0.00520057       0.04590720      -0.92821011 
O       6.15660996       1.06641997       4.15365002      -1.12171910      -0.29740440      -0.47843659 
O       1.23640996       6.50682995       8.78003004       0.04624509       0.84883030       1.49024055 
O       9.34951999       1.52361998       0.89206702       0.85513232       0.13031702       3.09751659 
O       9.36356998       6.97705003       8.98324001      -1.06692160      -0.10949732       0.82738938 
O       1.46296996       9.08288999       3.58142002       1.31735498      -1.17457262       0.22891728 
O       4.39138997       6.78185000       6.08145003       0.32111726       0.13554965       1.44971905 
O       9.21175000       1.68776003       9.15435001       0.96195650       1.73771865      -1.83944544 
O       7.23518996       8.34031000       3.32357997      -0.62239892       2.29700168      -0.61883696 
O       3.54622000       0.77572100       4.31907996      -2.55884259       1.03382718       0.64400798 
O       4.36083997       3.13389000       4.03792005      -1.60820494       2.99948929       2.15102239 
O       6.69305999       9.66209999       8.84672001      -0.52536783      -0.20204809      -1.29028343 
O       6.89740002       4.18947995       4.34329998       0.43396247      -3.16410105       0.98382965 
O       9.59930998       8.96130002       4.13423001      -0.33756622      -0.15896503      -0.00269092 
O      10.00550002       1.16305002       6.54143001      -0.72052277       1.73160157       1.07292060 
O       7.09322002       1.43408997       6.74859996       0.10076874      -2.47584952      -0.26670110 
O       6.25131999       4.06710997       6.88124000      -0.15687159       0.24251466      -0.27317419 
O       9.09399997       9.28778002       1.39022004       0.11355882       0.90174115       1.73111153 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.015141193433397529 0.002552202214733503 0.017839164265003864 0.002552202214733503 -0.021911451243415873 0.012150503943990643 0.017839164265003864 0.012150503943990643 -0.01267339389827152" pbc="T T T" energy=-1059.72064185 free_energy=-1059.72064185 config_type=crystal 
Hf       1.77622003       1.88238005       2.29923998      -3.45507154      -0.91496223       1.44776744 
Hf      10.64169997       6.86438999      10.54860001       2.81062555       0.16876495       1.02626679 
Hf       1.65671001       8.64002003       8.27171005      -2.68383629       4.48178652      -2.84245456 
Hf       7.24255999       3.63629005      10.27879996       1.39156767      -4.76024885       3.29147756 
Hf       8.99537001       5.27347997       2.30801996       0.22907761       8.49244230      -0.95425318 
Hf       3.66507003       7.21381003       5.44402999      -0.62010792       0.52103300      -3.86782773 
Hf       3.41776003      10.65259998      10.42909997      -1.96917397       3.52342409       2.58031871 
Hf       7.18723000      10.90469995       5.37374998       1.84903635      -1.93724552      -1.68986332 
Hf       5.55484002       1.47970005       3.01101001       0.26192616       1.57507457      -0.53736178 
Hf       5.45028998       1.67476999       7.75042999       1.07777315      -0.88603066      -1.44744333 
Hf       1.56903998       9.10807997       2.73225003       3.01429560       2.21694396       3.03576070 
Hf       3.22066005       0.04090510       5.50401996      -1.10254088      -1.49333660      -0.59774897 
Hf       3.84871998       3.49286998       0.06167605      -2.07762464      -1.55271521       3.82902618 
Hf       7.13482000      10.71809999       0.10497200       2.88008424       0.22383603      -0.22271117 
Hf       8.94784003       2.14966997       2.46141004       1.09984599      -7.87857629      -0.45414973 
Hf       5.28513003       5.05504000       8.23415004       0.97427166       2.11960695      -4.88865235 
Hf       3.72778996       3.68299000       5.17187997      -0.80910608      -2.01376824       0.35221939 
Hf      10.80070001       0.12407900       4.97874998      -0.62523175       0.01074151      -0.94128787 
Hf       9.08140999       1.60109001       7.62778004      -1.66300140      -2.58935309       2.50551394 
Hf       5.42680995       9.05303998       2.47946998      -1.22781507      -1.64289421       0.63387495 
Hf       3.48935004       6.81687995      10.40450000      -0.54441232       4.53127445       3.64810868 
Hf       5.44821995       5.28670002       2.52571995       0.82552361       2.46492370      -0.18108124 
Hf       9.17157996       5.33394996       7.66840004      -0.01338953       2.04903731      -1.15602179 
Hf       0.16528901       7.12514005       5.23265000      -1.52279297       1.01995857      -1.55266332 
Hf       5.47960001       9.13071002       7.92809999       2.03020815       0.70146819      -0.29577642 
Hf       7.26968004       4.06170999       5.08822995       0.65867008      -0.25819346      -0.41218284 
Hf       7.16601995       7.29175002       5.45746005       4.25991448       2.97764834      -2.96480707 
Hf      10.86569999      10.82689997      10.26649997      -1.84603380       0.45506993       1.72770307 
Hf       0.10812805       3.51674004       5.09914998       1.13659129       0.98835623       1.24242134 
Hf      10.95589997       3.44366998      10.56529998       0.79540900      -0.83750321      -0.39937917 
Hf       1.95578996       5.36070999       7.96444001      -0.23089761      -0.59374172      -6.83724055 
Hf       9.23805001       8.85662004       7.57383000      -1.48315101       2.77770113       1.89852427 
Hf       1.67162003       1.66459997       8.00650003      -0.94260093       0.30650327      -0.91106932 
Hf       7.01588999       7.20291998      10.32489995       1.34970529       0.65598860       0.97961466 
Hf       9.23316999       8.94723997       2.71089998      -2.55607041       1.80665693       0.07593869 
Hf       1.88630997       5.40217002       2.63074999      -1.16071296      -0.05187832       0.74222796 
O       6.99039001       5.29528000       9.42960004      -1.19217449       1.99607470      -2.03733640 
O       8.92542997       6.87876996       0.65282903      -1.33689806       0.99867545       0.47124850 
O       7.29340000       9.21643995       1.74376005      -0.21318454      -0.54313793      -2.43617323 
O       5.47684995       7.38574998       6.17985004      -3.98041099       1.55302275       3.81334799 
O       9.49166004       6.90976996       3.42754001       0.98040230       0.58549129      -0.14613290 
O       5.07823002       7.37065996       8.97511995      -0.52592514      -3.54232363       0.49096831 
O       6.96712002       1.20107999       1.50090004       0.67582885       1.26303056       0.82966657 
O       7.88106998       1.87177004       9.36398000      -2.55297701       0.48582484       1.11006392 
O       8.32547996       7.34113003       8.61519001       0.26911861      -1.07175982       1.89401535 
O       3.41882999       9.20460002       7.73686005       2.43828068       0.36645415      -1.53659710 
O       7.31957005       2.00224998       4.14861998      -1.10099358      -1.36129590      -0.37870467 
O       7.75151002       8.98584004       4.13961998      -0.44843158      -1.52321718       2.99511327 
O       9.28623000      10.35649995       0.73963501      -1.62867032       0.31075014       0.99812402 
O       2.54595002       9.08279998      10.06959998       1.23761618      -5.29698944       0.44910652 
O       6.59887001       9.02838997       9.74090995       0.59258030      -0.49010214      -0.62500743 
O       9.23721001      10.70350003       8.91993003       0.03167451       0.06409985      -1.67596042 
O       9.03034002       0.06989829       3.45614998       1.68841029       0.86601517       0.86883564 
O       5.53094005      10.62119998       6.48205005      -3.35858440       1.72115408      -1.33387027 
O       2.02587002       3.28508999       6.14329000      -0.89592060      -0.23835605       1.39577906 
O       7.18081001       1.67355004       6.53465999      -0.17511395       0.63874562       1.92760646 
O       9.07000995       4.15730997       5.75328000       1.65614225      -1.12038022      -3.27339470 
O       3.42674000       9.47730998       2.33900998       2.02310715      -0.13392154      -1.50380697 
O       7.31630001       5.93475005       4.07754003      -1.35686865      -4.06582749      -1.34008421 
O       8.37739003       3.78124998       3.08276001      -2.36504771      -1.16667325       5.10924119 
O       8.89581996       3.28950000       0.76622899      -0.44540163       0.68535541      -1.10057036 
O       7.19799997       5.44746004       1.34503001      -2.40111898       0.16807320      -0.21174394 
O       8.85272004       3.53309000       7.91889995      -1.24907747      -1.62404401       2.07422954 
O       4.97739998       7.50200005       1.13348995       1.02107671      -0.95946363      -2.58895684 
O       3.66875004       5.46731001       1.21827005       2.08781370      -2.87010089       1.95165786 
O       2.74066005       9.14669001       4.73724996       2.41549049       0.79702728       2.25268500 
O       1.81639995       7.22190005       3.63030997      -0.18878408      -0.93717949       0.10606905 
O      10.85209998       9.14786000       4.16217004       0.17778865       0.14267849       1.77255673 
O      10.95450001       5.06575004       6.84410005       2.53551243       2.63641598      -0.72066828 
O       7.42276998       5.55856002       6.62298995      -4.02386491      -1.03614416       0.93589789 
O       8.94233004      10.69819995       6.42997996       2.63000875       1.28794073      -1.81939746 
O       5.30260003       3.34815995       9.30811004       1.37860389      -1.38761443      -1.45334340 
O       5.19170997       3.59046997       6.72895003       1.36845059      -0.29479452       0.08803335 
O       1.73202002       6.88620996       9.06943000      -0.38434935      -0.91092740       2.17773527 
O       1.63418995       6.56323004       1.01792998      -1.00901401       1.36745668      -2.00457907 
O       2.14713004       3.44815997       3.70170996      -0.56698072      -0.29527371      -2.12612738 
O      10.55379998       1.89768997       6.30969997       1.04415280      -0.36822740      -0.12945077 
O       1.41049998       0.03940950       6.43562003       0.54862888       1.60484659      -1.37910899 
O       1.33896004      10.76219997       8.82451998       1.59043686      -0.80847941      -0.39400662 
O      10.90060000       1.81335002       1.22217004      -0.29868211       0.00375774      -0.65928064 
O       0.05816529       1.77404000       9.21922003      -2.10608515       0.34533743       0.66780911 
O       1.56957004      10.70409998       1.00735997       0.94388115       1.67880527      -0.15377984 
O       1.61651003       0.35423005       3.76379002      -0.18314680      -0.28070952       0.42934485 
O      10.73990002       2.14568998       3.61166001      -0.80176096       0.69970900       1.62175573 
O       0.44586297       5.24895003       4.12476999      -0.68197817       0.44980364       0.97162889 
O       5.33135997       7.41755996       3.71997005      -0.98823366      -0.09997483      -0.15448949 
O       0.02302633       8.67942000       1.82877004      -1.63793538      -2.27142012      -3.98029615 
O       1.89168005       3.70165004       0.74231299      -0.15340148      -0.54154675       0.94801998 
O       3.77534995       5.52266005       6.71629004      -0.80791093      -0.16859167       2.09364784 
O       4.02436000       1.69562999       4.49236003       0.60908942      -0.87992975       1.64138510 
O       1.18912995       3.87687997       8.63698999       0.79502406      -4.10155547       2.45626416 
O       3.59790000       5.14843004       9.31491005      -0.02541022      -1.41624826       0.29221049 
O       9.11535004       7.29196005       6.28026997       1.87676358      -1.16945372      -1.58062706 
O       5.56074004       3.52934995       1.30528999      -0.40379717       0.11911523      -2.44076066 
O       5.50856001       3.70706000       3.70311001      -0.10415015      -0.15099086       1.52254151 
O       3.67295003       5.36602004       4.29015000      -0.34383102       3.16601307      -2.62584231 
O      10.73629999       8.64554000       9.70620000       0.77151129      -0.35532413      -1.78119096 
O       5.78314005       0.13823897       8.86232000      -0.76493836      -0.52362488       1.74100910 
O       3.51241001       1.22420996       7.36586001       1.80928155      -0.00084485      -0.89054613 
O       2.98598998       1.87024004       9.83183000       0.66003474      -1.06419583      -0.47302991 
O       5.12608999      10.52389996       0.71093895       0.70472169      -0.10637291       0.73939896 
O       5.87308004      10.55409996       3.79836998      -1.60808159       2.35916845      -0.58354645 
O       3.60575995       1.81088996       2.02186996       3.58554993      -0.06591269      -2.16188540 
O       0.04944059       8.80058000       6.73800998       1.08340236      -0.37527123       1.09870946 
O       1.87715995       7.28662996       6.40987000      -0.28315283      -1.74059258       1.13650242 
O      10.68910001       4.82020001       1.56492000       2.70140829       0.34608616      -0.61817237 
O      10.18459998       4.97003996       9.50886996      -0.53619949       3.73277448       0.73353553 
O       7.29190001       9.17261004       6.82480001      -0.91426012      -1.73870262       0.64993554 
108
Lattice="10.9561685 0.0 0.0 0.0 10.9561685 0.0 0.0 0.0 10.62916347" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009137673119140799 -0.0033863879359885365 0.012201076539388735 -0.0033863879359885365 -0.01725443755769976 0.0023390285823349346 0.012201076539388735 0.0023390285823349346 -0.015392478419567764" pbc="T T T" energy=-1060.89501908 free_energy=-1060.89501908 config_type=crystal 
Hf       1.56138998       1.80786005       2.46680000       0.14930849      -3.18432392      -0.04549589 
Hf       0.01909134       7.12325999      10.33410002       0.28833937       2.94391805       0.63673942 
Hf       1.99393995       8.90818002       7.86964003      -4.12076982       0.44901439       1.13855007 
Hf       7.00825999       3.38949002       0.23613654      -0.52443193      -0.45709299      -2.46411271 
Hf       8.83758000       5.27751997       2.63641997       2.43015002       0.91804885       2.23014987 
Hf       3.62671999       7.45935996       5.61820995       1.41124844      -0.96900503      -3.74554521 
Hf       3.64010996       0.01753151      10.46192644      -1.07229483      -4.50995045       1.60266038 
Hf       6.94477995      10.74990000       4.83674004       3.72984190      -0.75581086       2.88220114 
Hf       5.42410003       1.79494996       2.60942998      -2.10879671       0.06228545       1.64002999 
Hf       5.49394002       1.75443997       8.18981999      -1.47737926      -0.99667843      -3.76737188 
Hf       1.75916996       9.10350999       2.56112999      -1.49443830      -0.27525689      -1.54687563 
Hf       3.82166003      10.93590003       5.20402005      -3.61909144       0.04796637       2.29043903 
Hf       3.29066998       3.82860996      10.48450002       1.66287330       0.51584922      -0.63014778 
Hf       7.07020003      10.57980001      10.44810003       3.02336378       0.53737326      -0.86459387 
Hf       9.01512997       1.79974997       2.66955001      -0.41107340      -2.16451048      -0.64122793 
Hf       5.53262000       5.63776997       8.10287003      -1.72047132      -0.97570391       0.41463008 
Hf       3.68598004       3.57506001       5.17345004      -1.60433609       1.83482035       2.06047220 
Hf      10.86270658      10.72600000       4.94599997       2.97580005       1.10986034       3.21263828 
Hf       9.34031004       1.81582004       7.48640002      -2.83096538      -3.22682661       0.73523809 
Hf       5.57434000       8.89352998       2.56088000      -1.96670031      -1.49898261       0.28027100 
Hf       3.42069001       7.36420005       0.34502403       0.83837145       0.91838866      -0.65685592 
Hf       4.96829000       5.23365005       2.53054001      -0.06041850       4.31819070       1.43971747 
Hf       9.24936004       5.51557001       8.09387000      -0.38639960      -0.87450672      -1.48858327 
Hf      10.82039999       7.31296999       5.09239002       1.07564384      -0.71777428      -0.36966366 
Hf       5.73351001       9.09356003       7.82760998       1.22906403      -0.08577105       0.63198706 
Hf       6.94270003       3.69882999       5.48219004       2.09947495      -6.52608948       0.53681275 
Hf       7.24067002       7.03053005       5.46881005      -0.92961867       2.42177322      -3.59152923 
Hf      10.92979996      10.77949995      10.27440005      -2.83865460       0.31764623       2.07526686 
Hf      10.82420003       3.27739998       5.26998995       1.28909093       4.22653160      -2.79279132 
Hf      10.66000004       3.43462998      10.47494547       0.38628529      -2.46659212       1.39725588 
Hf       2.04447002       5.34393999       7.67527005      -5.29951206       0.44249614      -0.07703114 
Hf       9.26491002       9.00984001       7.63134003      -0.88123677       1.91377463       0.85453398 
Hf       1.77027996       1.64624999       8.05920000       2.33598100      -0.92082066      -2.78116125 
Hf       7.33782998       6.82499003       0.22723653      -2.50462318       2.98879635      -1.06091518 
Hf       9.12389997       8.93696998       2.25130997      -0.97030973       0.98316211       0.08395931 
Hf       1.36257003       5.22710998       2.57973996       3.49358355       3.16533246       2.19222919 
O       7.56498006       5.17685995       9.71853997       0.18057729      -1.47877511      -0.78691120 
O       8.96734004       7.02974997       1.27623005       1.80332366      -1.71862328      -0.06403833 
O       7.14092999       8.81299995       1.23491003       2.52112329       0.11590316       0.27717939 
O       5.39378004       7.50428003       6.56394998       1.41666960      -2.44322381      -0.15691244 
O       9.08271003       6.99673005       3.81421005      -0.02773262       0.39529545      -0.60067225 
O       6.04605005       7.23081999       9.10177000      -0.44112076      -0.38363725       0.13904004 
O       6.93123002       1.45920004       1.38363998       1.15662294       2.07668102       1.57595753 
O       6.88255001       1.62967002       9.59331004       1.29651741       1.00798838       1.35013168 
O       9.15600998       7.65906999       9.37994999       0.45324839      -4.31737029      -1.68635327 
O       3.64830003       8.92476996       7.03013999       2.29477341       0.42516200      -0.53448319 
O       7.32876002       1.75218004       4.28523005      -1.11692151      -0.54977289      -1.72413518 
O       7.09954000       8.86878996       3.92476004       1.29214515       3.00262102       0.58195976 
O       9.05969003      10.61960004       0.50239400      -1.06331462       0.02471151       0.78570128 
O       3.65215999       8.95965002       9.76075996      -1.11007467      -1.77356822      -0.54354371 
O       7.45123005       9.15944002       9.15455996      -1.36623418       1.67917793      -1.46827403 
O       9.42561006      10.87378184       8.45235001      -0.02568894       1.10840805      -0.80746278 
O       8.89928997      10.74059997       3.22415999      -0.37305817       1.35804555       0.12656867 
O       5.69226003      10.82120001       6.50350001      -2.62499033      -2.40409984      -2.88933775 
O       1.80268995       3.69116001       5.98691002       0.16130385       1.11962875       0.81008971 
O       6.97797002       1.56321002       6.80899004       2.34049159       2.57134969       1.81068485 
O       8.85862998       3.38158996       6.19852997       1.97938354      -0.05917520      -0.00825364 
O       3.48422001       9.07120003       1.68379002       1.48527585      -1.26417751      -0.02661304 
O       7.17693996       5.15429003       4.51178004       2.82854370       5.71065031      -4.93016301 
O       9.17352001       3.49532003       3.64806995       0.64441593       1.18912855      -0.35393124 
O       8.92915999       3.39037999       0.88485001      -2.75172606      -0.19391304       0.06548228 
O       7.14000003       5.30265003       1.71049005      -1.34057195      -0.90590126      -1.05122406 
O       9.69170997       3.33356995       8.57925999      -2.19996256       0.95313965       0.97537743 
O       5.32549999       7.20193996       1.29607002      -0.98968739      -1.87028155      -1.80686583 
O       3.15811995       5.39966000       1.33842001       1.43059054      -2.97891803       0.67957732 
O       3.91632001       8.86595002       4.36412002      -0.00576673       2.89107089      -0.01100174 
O       1.98055995       7.41682001       3.49072995      -1.37057505      -1.37605387       1.33733250 
O      10.81192353       9.20966003       3.90501999      -0.42518521      -5.04707039      -2.26951236 
O      10.85220005       5.25489001       7.06012996       1.13650734       0.13454037      -0.85823404 
O       6.99642996       5.55205997       6.74610004       1.71915036      -1.39025857       3.53691492 
O       9.21757006      10.51220001       5.91372004      -1.21083051       0.76276891       0.54779751 
O       5.35584003       3.69449003       8.99482999       0.08368457      -0.14428536       1.12305942 
O       5.27670998       3.79255004       6.32232996      -1.32509137      -0.50300513       1.50153398 
O       1.64551998       7.06453997       8.97161005      -0.29006570      -0.54282744      -0.21939700 
O       1.57889005       6.95144996       1.09971005      -1.95607459       1.32270704      -1.58291065 
O       1.39501004       3.43275001       3.43834997       0.02218357      -0.26832384       0.82177452 
O       0.19181797       1.82206001       6.49958997      -0.68860406      -1.74259824       2.70214123 
O       1.89171999      10.46939996       5.88186997      -0.36013151       0.61223598       0.51337826 
O       2.22498998      10.70520004       8.62285997      -1.92809894       0.70999601      -0.00123054 
O      10.60550000       1.76036002       1.47091998       1.46034395      -0.87655874       0.27244305 
O       0.13042595       1.63301001       9.38896001       1.48867507       0.62771421      -0.57228070 
O       1.65038003      10.46359998       0.58358402       1.64066526       1.59014431       1.05835544 
O       1.92771999      10.85258253       3.40426001      -0.49667287       1.41188014       0.19153845 
O      10.86500003       1.53930004       4.12211002      -1.10895356       1.42845152      -1.94186404 
O       0.23473153       5.47307005       4.22991004      -0.99053913       0.01315283       0.75384705 
O       5.68185003       7.18914995       3.68312004      -1.15902287      -3.65715351       0.75473424 
O      10.73420003       8.87393005       1.13744995       0.87095348      -0.85733469       1.59453735 
O       1.60328998       3.07823995       0.83886304       2.02929280       1.40831131      -2.04519725 
O       3.70642995       5.50589999       6.91846000       3.00564488       0.96698762      -0.85750584 
O       3.53074998       1.92499004       4.37653999       0.85314057      -3.60622766      -2.50349491 
O       2.01056002       3.57862997       8.65594005       0.61075308       1.34766677       2.37368307 
O       3.86920005       5.69416005       9.73902003      -0.48167572      -1.11323564      -1.76623074 
O       9.13639997       7.00986003       6.31929002       0.26528706       0.06279497       1.58909381 
O       5.17948998       3.70933005       1.21312003      -0.29004036      -2.28143593      -2.26378143 
O       5.58692995       3.68570000       3.62128000      -0.46331523      -3.07132808       0.49261579 
O       3.44258000       5.08834003       3.81934999       0.08958073       0.35472521       0.82157562 
O       0.04545517       9.15611001       9.38652997       1.53923503      -3.97765775      -3.09862409 
O       5.10656003      10.68200002       8.93346996       1.38462520       2.00005344       0.04814980 
O       3.66538004       1.72518996       6.84654999      -0.35927235      -0.62976053       0.11094807 
O       3.39312999       1.53733001       9.28650997       1.59069629       4.31834193       2.84033680 
O       5.44742002      10.40790003       0.75608896      -2.63661386       0.78496802       2.14419337 
O       5.22588004      10.80500000       3.70397999       1.76328032       1.88195497      -1.40060243 
O       3.57697997       1.27672998       1.87354004       0.91184575       1.22484813      -1.90840931 
O       0.16443149       8.69791997       6.63425998      -1.53230593       0.83240233       0.97669250 
O       1.83779998       7.12990995       6.16999003      -1.63458003      -1.35743900       1.42903606 
O      10.80110004       4.78719999       1.54734005      -2.65750657       1.08061807      -0.99910136 
O      10.62020000       5.11584001       9.49472997       0.95060070       4.57818126       2.15365314 
O       7.40130005       8.87954005       6.52203005       0.50395527       0.19005251       1.05955733 
108
Lattice="10.95669236 0.0 0.0 0.0 10.95669236 0.0 0.0 0.0 10.62967169" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.008251940621501797 -0.005312363861451248 -0.00018018247567228512 -0.005312363861451248 -0.022819262836168832 0.0030283149604176276 -0.00018018247567228512 0.0030283149604176276 0.0030092509261510753" pbc="T T T" energy=-1058.96018098 free_energy=-1058.96018098 config_type=crystal 
Hf       1.80358003       1.73618005       2.53753000      -2.06753568      -2.35362532      -1.29454174 
Hf      10.86330003       7.13993000      10.56290003       1.50199174       3.08626809      -0.00210144 
Hf       1.61659005       9.02116997       7.90086999      -0.52286720      -1.31827744      -1.24410042 
Hf       7.17010002       3.56955999      10.39750000      -0.14884193      -2.60689997       3.24858860 
Hf       9.31592001       5.47385996       2.55000998      -1.12197155      -2.41484269       0.67633125 
Hf       3.31491999       7.64532004       5.19972001       3.48520575      -4.54187430       2.10770306 
Hf       4.05260001      10.84249996      10.44049999      -2.80328504       2.43039170      -1.41085099 
Hf       7.07734001      10.70569996       4.74508002       2.51895892       0.49776513       2.13944562 
Hf       5.22784004       1.40507998       2.18935000       1.82920440       1.18266668       2.58825064 
Hf       5.24185003       1.77435996       7.72529003       0.48334840      -0.25698593       1.15739231 
Hf       1.85943999       9.18858999       2.68999000      -2.18436160      -1.47046245      -2.55510881 
Hf       3.63427996       0.05816097       5.27758001      -2.35893517      -0.83048431      -0.41125157 
Hf       3.55849000       3.47938005      10.47650003       0.20837672       1.47743771      -0.63910477 
Hf       7.58947005       0.16316202      10.51700004      -1.14862355      -1.52105884       1.77674147 
Hf       9.23228002       1.51527001       2.45538996      -2.37405524       1.81727890      -2.01908220 
Hf       5.04117996       5.42772002       7.85468003       0.20782522      -1.56054143       0.24792541 
Hf       3.38391998       3.72822998       5.15298995       0.12168936      -0.41402721       1.20002330 
Hf      10.67240005      10.53560005       5.28363999       0.35383758       1.72443946      -0.51882261 
Hf       8.84017999       1.66723999       7.63755995       0.50492637       0.20892203       0.18604700 
Hf       5.75142004       8.59199995       2.86137996       0.78383299       1.04642044      -0.64099804 
Hf       3.72633995       7.43688003       0.13866396      -1.35104721      -1.15866263      -1.37882828 
Hf       5.62166004       5.56463999       3.04679002      -0.22634865      -4.69127071      -1.56563830 
Hf       8.92593002       5.22640000       7.95210002       0.74916112      -0.35724775      -0.55565052 
Hf      10.72689995       7.15643001       5.24773998       2.39044922       0.73369761       0.73350355 
Hf       5.51200996       8.90461005       7.92158000      -0.86438113       3.04736897      -0.17505568 
Hf       7.14648999       3.58446996       5.04548996      -0.22963963      -2.13345306      -0.56116446 
Hf       7.08151001       7.16537002       5.77433997      -0.12230154      -1.76194416      -1.19087661 
Hf      10.90529999      10.74209995      10.36779995       1.82959740       0.42166951      -0.30689387 
Hf      10.80079999       3.44574005       5.12072996      -1.32626543       0.22093442      -0.26664205 
Hf      10.73419996       3.64783997      10.61359995       1.61086415      -6.63324751       0.38571891 
Hf       1.67271001       5.38108001       8.17134996      -0.81699384       0.74340249      -2.47606246 
Hf       8.96047998       8.96483000       7.91590003       1.54455191       4.52682968      -2.04546764 
Hf       1.53673001       1.57022999       7.75718001      -0.52070514      -0.16588757       3.23201383 
Hf       7.23732996       7.32169002      10.55310000       0.24004711       0.35666975      -0.29268523 
Hf       9.25891004       8.80455003       2.50822995       1.32768433       0.20481682      -0.13803572 
Hf       2.05934002       5.41037995       2.55248999       0.39197416       0.36396728      -2.58291842 
O       7.10272995       5.33261998       9.77961004       1.16608342       2.95878325      -1.19584895 
O       9.00264002       7.03859999       0.98520496       0.32435004      -0.61037979      -0.80605059 
O       7.47590996       8.93260002       1.61253002      -1.51891603      -0.59530201      -0.04391040 
O       5.18971995       7.20501001       6.85323995       0.95591391      -0.62247256      -1.00906165 
O       9.48260001       7.16694000       3.54933996      -0.73069900      -0.77919388      -1.18353305 
O       5.52380999       7.52234004       9.28747995       0.63434977      -1.62365455       1.87952725 
O       7.11810000       1.40056002       1.48565000       2.42775962       0.39835240       0.54902168 
O       7.51207997       1.69383999       9.42777003      -0.01274338       1.98874097      -2.24756773 
O       8.62152999       7.21178004       8.47911999      -1.17555398      -2.73834183       3.44675155 
O       3.87489999       9.19423005       6.78261004      -0.52368448      -0.01285917       0.01105624 
O       7.00215003       1.64459996       4.10048004       1.83522939      -0.73720830       0.45721967 
O       7.49191002       8.60185999       4.36442999      -1.60598025       0.45406024      -3.98807528 
O       9.41091004       0.19808801       0.97257202      -2.41347531      -2.26193766      -0.84341249 
O       3.75266998       9.16072000       9.58718003      -0.67502619      -2.36804848      -1.09135407 
O       7.62660995       9.28234005       9.63055005      -0.50438447      -2.22677128      -0.53451331 
O       9.36972997      10.92310002       8.60737995      -1.04944011       0.52237804       1.65540613 
O       8.87285997      10.47920004       3.51380997       0.11107857       2.08124684      -0.02402307 
O       5.41807999       0.16598896       6.07429995       0.45450367       0.66110142       0.26490734 
O       1.53542003       3.83782003       6.48374002      -1.55480942      -1.62776382      -1.12048153 
O       7.10505003       2.15806004       6.69261998      -1.19612182      -0.61847973       1.30697258 
O       9.22054003       3.40779001       6.47372995       0.24030358       0.97759700      -1.52943058 
O       3.51289997       8.84959003       1.55435000       1.92718837      -0.51231589      -0.30593067 
O       7.38260003       5.52249004       4.37943005      -2.26375813       0.85403754      -0.59638262 
O       9.03461997       3.90016996       3.83769000      -0.18871284      -2.48833940      -0.76594256 
O       9.06229000       3.09786003       0.83520902      -1.10253426       0.86610479      -0.02118712 
O       7.33755005       4.78696005       1.54120003      -0.63886953       1.22467131       1.92903577 
O       9.34603996       3.38421997       8.82920004      -0.57910651       0.80876339       1.37495965 
O       5.64057995       7.08409996       1.41541998      -0.11395954       0.21038343      -0.25878129 
O       3.97459998       5.07006005       1.61326995      -0.75330682       0.95305027      -0.60630372 
O       3.58889000       9.04201004       4.04653999       0.40525942       4.10475786      -1.59566169 
O       1.92985997       7.10871000       3.71520004      -0.98662786       0.75600962      -2.44765137 
O      10.93689997       8.93036003       4.18773997      -0.30174889      -1.27649888      -1.83379088 
O      10.72879995       5.88796004       7.39058995       1.70002654      -0.66213683      -0.60660257 
O       6.98143005       5.24838000       7.27511004       1.96059082       0.91750881      -2.05537546 
O       8.85690001      10.63490000       6.21270997      -0.94310807       2.36058680      -1.13699090 
O       5.45842998       3.52083996       8.83468995       0.32520043      -0.42724855      -1.00024602 
O       5.20591000       4.03497004       6.03132004      -0.58852806      -1.03285265       0.18902053 
O       1.85839998       7.19520005       9.09755004      -0.24063879       1.50521378      -2.72711460 
O       1.76708000       6.92361005       0.59180198       2.92696654      -1.56949275       3.94724583 
O       1.45040004       3.04012001       3.96466005       2.30493459       2.72865019       0.50834376 
O      10.90420005       1.21767003       6.66718998       0.14138031       1.67168118       0.22770578 
O       1.87888001      10.29110003       6.29828999      -0.50602273       1.92440724      -0.28883657 
O       1.58185997      10.64709995       8.92728002       1.24800751       1.18280833      -1.30578864 
O       0.09672568       1.85858000       1.46614998       0.63154696       1.02633365       1.45111764 
O       0.35884296       1.56082005       9.71791001       0.15519002       3.09779250      -2.50699960 
O       1.35875005      10.46300002       1.02026002       2.25340802       0.69480318       1.76598732 
O       1.53509998      10.60569998       3.88072997       1.42016013       4.56590982      -0.03016966 
O      10.46020004       1.57165995       3.84894002       1.70628412      -0.06648205       4.69555785 
O      10.77960000       5.37907000       4.36990002       2.03438332      -1.78005436      -0.29841379 
O       5.42631997       7.24558999       4.38504996      -0.59397758      -0.80125727      -2.08337756 
O       0.12973195       8.64168000       1.30879002      -2.75749983      -0.90090332       2.52584337 
O       2.18969004       3.33098995       1.35426003       0.13898590       1.08148201      -0.37106912 
O       3.24212000       5.32986996       6.85190997       1.41916366       0.32544882       0.22901494 
O       3.84960998       1.88123997       3.92267997      -1.46170045      -1.81852949       0.69900793 
O       1.69908003       3.72729998       9.17822000       0.46930372      -1.35665979       1.05810069 
O       3.85782004       5.41473995       9.54352004      -0.76397682      -0.06114796       0.57904276 
O       9.02928001       6.96953996       6.08629001      -2.26857766      -0.20946067       0.74260062 
O       5.18571002       2.41908998       0.44244903       0.21548739       2.20644020       0.80629709 
O       5.58497003       3.39897995       3.55541004       0.67859753       3.90562889      -0.65438468 
O       3.60842995       5.47108003       3.89853998       0.27589829      -1.81022630       2.87473656 
O      10.62760000       9.00786000       9.32015003       0.59254702      -3.44883996      -0.32462601 
O       5.59067003      10.92370001       8.93493998      -0.53730118       0.83329133      -2.48560923 
O       3.11607005       1.74748999       6.48049000       2.36510861      -0.08808543       0.08513886 
O       3.66112999       1.81485995       9.22278001      -1.19812168      -1.70446120      -0.97110678 
O       5.66068997      10.72129999       0.72363595       0.75724427      -1.12102926       1.56784459 
O       5.57182999      10.45179998       3.33936005      -0.14488590       1.61379887       0.63858160 
O       3.32706998       0.93268099       1.47486004       1.68450269      -0.08560888       0.05204986 
O      10.66940000       9.01982997       6.60018999       0.62548634      -1.36279427       2.80784086 
O       1.77173002       7.37304996       6.14610997      -3.49468894       0.45046686       2.79828982 
O       0.15049904       5.18787999       1.44663996      -0.86023319      -0.13026342       3.17758262 
O      10.68229997       5.35443004       9.86199000      -1.37551928       1.86903220      -3.76499222 
O       7.26710006       9.02783997       6.48474995      -2.78355278      -0.14437484       4.95098618 
108
Lattice="10.95755268 0.0 0.0 0.0 10.95755268 0.0 0.0 0.0 10.63050634" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.028309462384585562 0.001097191475133526 -0.013019999573819772 0.001097191475133526 -0.015767535664941844 0.006637169193425295 -0.013019999573819772 0.006637169193425295 0.006892895493934798" pbc="T T T" energy=-1061.18122655 free_energy=-1061.18122655 config_type=crystal 
Hf       1.52571002       1.78005005       2.27983997      -1.94584345      -2.63392308       0.82436839 
Hf       0.02747990       7.03319997       0.13512596       0.09930070      -0.81898684      -0.39921081 
Hf       1.67173004       8.92422001       7.78034002       0.76635359      -0.84303320      -0.72063668 
Hf       7.43256003       3.62435004      10.57849999      -5.19934881      -0.94696427      -2.52548194 
Hf       9.10745001       5.60459995       2.67203996      -0.77458165      -3.45864361      -0.78260356 
Hf       3.46535003       7.46710996       5.21447002       1.12567150      -4.26442650       0.95891613 
Hf       3.37923999      10.87270002       0.16666200       1.78418647       0.40345951      -3.26988685 
Hf       7.40938996      10.85729995       5.22463002      -0.62620109      -0.13613142       1.90694988 
Hf       5.43187999       1.70733003       2.72411998      -0.42279422       3.37401148      -1.09119377 
Hf       5.24703999       1.76751998       7.88018004       0.82861082       1.77456966      -2.87287632 
Hf       2.08486999       9.16826004       2.47546999      -4.70181405      -0.72530179       1.98485599 
Hf       3.64809001      10.95656212       5.32298995       0.16125844       2.23747036       0.05143172 
Hf       3.44286996       3.29571999      10.52309996       0.52627261       1.11435146      -1.50737342 
Hf       7.17396003       0.19403295      10.61004442      -1.52464345      -3.08473741       0.97354407 
Hf       9.09358005       1.76593004       2.60571995      -2.90920283      -2.03401245       0.82566477 
Hf       5.43440000       5.40810002       7.57012995      -0.18885058      -0.58371695       4.57748909 
Hf       3.89050001       3.67516996       5.24134000      -1.03958933      -2.09940167       1.40490589 
Hf       0.27082304      10.88360005       5.19466995      -0.45454228      -3.12267325       0.84399241 
Hf       9.23085002       1.58259002       7.78338003      -2.22887033      -0.80285731       0.33738537 
Hf       5.19801995       8.86963003       3.00575005       2.99007656       1.46227892      -5.07908649 
Hf       3.41740997       7.04448998      10.40630003       1.97929010       0.32265589      -1.65245611 
Hf       5.13104005       5.39565004       2.06227996       1.91901556      -0.99537895       3.08214920 
Hf       8.93172998       5.25079996       7.88136003       1.02066312      -0.38519998      -2.44067019 
Hf      10.69829994       7.16611004       5.25916003       0.25933410       2.33440046       0.70218057 
Hf       5.32405000       9.16876004       8.21600996       1.37147223      -1.23638272      -2.13821874 
Hf       7.53745000       3.40839004       5.40275000      -2.86838104       2.09684581      -1.64364441 
Hf       6.96513998       7.13144999       5.07803002       3.31197916      -1.65327625       1.83215619 
Hf      10.82760005      10.31539999      10.49319996      -1.04574856       2.04090287       0.91644174 
Hf       0.07329638       3.53778000       5.02178996      -0.65124715      -1.39685377       1.16192327 
Hf      10.74910003       3.40660999      10.51390000      -0.25638930      -1.71265722      -3.61679366 
Hf       2.00632001       5.08794005       7.89426004       0.51068768       2.00404945       0.50595191 
Hf       8.81671995       9.01977995       7.81777004       0.54530283       1.19477110      -2.66773858 
Hf       1.56403998       1.53070995       8.05451003       3.61479168      -1.28711958      -0.85588120 
Hf       7.40432998       7.01167002      10.31999999      -2.95239086       3.87224860      -1.81673257 
Hf       8.66340001       9.12591995       2.51840001      -0.12739656       1.14373101      -0.45728947 
Hf       1.85734002       5.34682998       2.92107998      -0.51469854       0.17698814      -0.11528133 
O       7.43329002       5.37453999       9.17970001      -1.05582005      -0.88725520       2.34072719 
O       8.93436001       6.53571996       0.59364202       4.75503239       0.52064397       1.92016084 
O       7.13393001       8.73242996       1.35750003      -0.58646934      -0.84395543       0.53286721 
O       5.52014001       7.06086998       6.40644998      -0.38195364       1.67934100      -0.18680188 
O       8.99713003       7.27101995       3.46799997       1.13816527       2.65863380      -0.42656537 
O       5.29962002       7.07452003       9.11513000       0.80104003      -0.07490784       0.31360393 
O       7.19916997       2.06308999       1.59621996       0.37733809      -0.22110272      -0.59623899 
O       7.81806996       1.57674997       9.54428003       0.98768096       1.47130345      -0.81696725 
O       8.90865995       7.17486995       8.63836997       0.31888105       0.10542878       0.87020962 
O       3.68044997       8.86183997       6.60543999       1.10591456       2.60664231       1.40412979 
O       7.39552997       1.75863001       4.39353002      -2.11694399       0.52938555      -1.74102194 
O       6.95330999       8.92380000       4.08967995       0.78140923       2.25226019       0.28171331 
O       8.87637002      10.57289996       0.86914201      -0.33003542       0.82231892      -0.46486339 
O       3.80694001       8.99197998       9.52946004      -0.44813645       0.58031548       1.49571723 
O       7.22013001       9.07434998       9.33631002       0.42097217      -0.41561525       0.54617250 
O       9.72481003      10.66030003       8.84739995      -1.89440687       0.64788944      -1.46320847 
O       8.58329000      10.93310002       3.53815004       0.15279261      -2.58451897      -1.34109081 
O       5.39663995       0.05099152       6.41649996      -2.58673657       0.68394765      -2.38626794 
O       1.63165005       4.36175005       6.10279999      -0.36295715      -2.23532445      -1.24578323 
O       7.40808995       1.51603001       6.81354001       1.20728074       1.27765258       1.26100961 
O       9.17052004       3.57797001       6.33267002       2.91732916      -0.17385710       1.66470419 
O       3.83856000       9.64988996       1.50972995      -1.02665566      -1.68236014       2.12299279 
O       7.64412002       5.39996995       4.25788996       0.53837531      -1.61334685      -0.35670233 
O       9.34400998       3.25384001       3.77578002      -0.49241697       3.88778871      -0.03363325 
O       9.10133000       3.58841003       0.67569996      -0.10787530       1.81277964       5.09175571 
O       7.29236001       5.24619001       1.68405005      -2.19002031       0.26644897      -1.22352712 
O       9.23545000       3.46406000       8.93189005       0.44557422       0.10956744      -2.03088998 
O       4.77661998       7.42927003       1.42529003       0.18424101      -1.77499241      -0.63503883 
O       3.16626002       5.43008996       1.37482999       0.18858335      -1.24389316      -1.23620412 
O       3.41701002       9.08138002       3.91055996       2.62557362       0.74845706       2.96314830 
O       2.13998999       7.12953998       3.58810003      -1.10842772       1.16578961      -0.57796847 
O       0.44719504       9.16743998       4.05629995      -1.61528300      -2.07602887       0.73118314 
O      10.71999995       5.86486001       6.69868005      -1.38116980      -0.72389413       2.44607987 
O       7.11155995       5.22563003       6.62894000       4.50291747       0.41034581       0.51284146 
O       9.21206001      10.73089998       6.24445999       0.47699024       1.50996849      -0.44244817 
O       6.04752000       3.35680999       8.81332004      -0.51814225      -0.62064155      -0.11275931 
O       5.53021997       3.53655002       6.27551000       0.62300181      -0.65232073       0.41869870 
O       2.05056003       6.98120003       8.86667997      -0.11248154       0.11128952       0.47289745 
O       1.75013999       7.82333003       0.94215605       0.78050225      -1.02367843      -1.05582880 
O       1.48519995       3.33725997       3.42272996      -0.17128287       0.88215955       1.71201663 
O       0.27854734       1.77401003       6.42077002      -1.20332026       0.95339815       2.15403846 
O       1.92422997      10.85169998       6.53528003       0.29117526      -0.77727856      -0.32556640 
O       2.03598999      10.57339995       9.05866001      -0.77066295       1.68814890       0.43173947 
O      10.34859995       1.65781000       1.20771003       3.67440835      -0.56395336       0.59767180 
O       0.31104734       1.49773002       9.61543001      -0.95313765       0.46321841      -1.48607157 
O       1.55294995      10.70819998       1.18984005       0.01921921       1.33089387      -1.03486527 
O       1.80501004      10.94674185       3.83199000       2.99971884       2.72309506      -1.25868412 
O      10.60359995       1.26620997       3.94598995       1.48086549       1.91486354      -0.98431323 
O      10.77198466       5.34241004       4.15555997       0.55465928       1.37053208      -0.37814421 
O       5.46342996       7.12320005       3.82547998      -2.77724901      -1.78145444      -1.15307790 
O      10.38210004       8.89827997       1.50964001       1.93009597      -1.68182382      -2.16546427 
O       1.40341004       3.07990004       0.72239202       6.24563653      -0.50829872       2.91326446 
O       3.70746001       5.55110999       6.76008005      -1.66654433      -0.94692361      -0.74026336 
O       3.95037997       1.91449002       4.40686003      -0.56547878      -2.73630656      -0.68282716 
O       2.08471998       3.35386997       9.01018001      -2.07109056      -0.20782763      -1.85781999 
O       3.78604999       4.97450001       9.17656997      -0.55819005       0.48245262       1.90293699 
O       8.80090995       7.64262004       5.87020004       1.23035885       0.20934283       1.34598822 
O       5.36928004       4.00502999       0.60372995      -1.33264956      -0.22735751       0.54428349 
O       5.20922000       3.73930003       3.53638995       1.40611074       0.28081406      -2.02315883 
O       3.54620998       5.23341997       4.23703004      -1.69627595       3.25375431      -2.53049305 
O       0.31709196       8.76427995       9.33944995      -1.28502914      -1.91713125       2.21828395 
O       5.62589003       0.06747486       8.73917002       1.03035206      -1.22303538       3.20061906 
O       3.22156004       2.11904999       6.78123996       1.13879296      -0.31828214       0.73510552 
O       3.80763001       1.59282996       9.24097999      -1.84112377       0.71435840       4.04073530 
O       5.42253999       0.29919795       1.05432001       0.47230570       1.28677683      -2.04327091 
O       5.29224998       0.07624736       3.53680996       0.04728676      -5.10142916       2.92348042 
O       3.47170004       1.87426002       1.71566996      -0.05499516      -0.09828570      -1.64820696 
O      10.92710000       9.09321998       6.78959002      -0.15036647      -1.01931982      -0.11231006 
O       1.91944995       7.31763996       6.27250996      -3.55566025      -0.05216073       0.07789014 
O       0.25633496       5.42503995       1.62119995      -1.14500442       1.49641119       0.19872535 
O       0.22667495       5.14265999       9.77972002       0.14871227       3.49908254      -2.01843741 
O       7.15543005       9.48390999       6.77860998      -0.26703367      -1.72999558       1.19214176 
108
Lattice="10.95867003 0.0 0.0 0.0 10.95867003 0.0 0.0 0.0 10.63159033" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.005054897553027632 0.000415367932199451 -0.0015279022850662233 0.000415367932199451 0.00559231391450847 -0.006348719446998937 -0.0015279022850662233 -0.006348719446998937 0.00911255439659952" pbc="T T T" energy=-1064.01461229 free_energy=-1064.01461229 config_type=crystal 
Hf       1.74421995       1.70867002       2.56672999      -3.17736961      -0.21939692       2.13342860 
Hf      10.82560000       7.21120005      10.35609999       0.43949680       0.71103245       1.99157069 
Hf       1.75555998       8.94998000       7.86866996      -1.77849043      -2.78987982      -3.19881615 
Hf       7.20871999       3.55070005      10.58538842       0.34678377       1.66912733       1.62253320 
Hf       8.95530997       5.47305997       2.52595997      -0.22049535       1.37821202       0.87666402 
Hf       3.51055000       7.29300006       5.22341005      -0.98734133      -0.85300570      -0.46439716 
Hf       3.54655997      10.55110000      10.44889995       0.71197813      -0.63398487      -1.04723903 
Hf       7.32592998      10.80559998       5.32138005      -1.50031221       1.43061792      -0.05372023 
Hf       5.29373997       1.88140003       2.67364998       0.34575494       0.33460706      -0.95465012 
Hf       5.72572000       1.59596996       8.17009001      -0.92719577       0.47953079      -4.75409860 
Hf       1.74956997       9.08815996       2.35471004      -1.31208971      -1.19809031       2.41011822 
Hf       3.64410002      10.75720003       5.01996000      -1.50592249       1.26999896       1.57962539 
Hf       3.51229999       3.31027998      10.42979998      -0.86192692       1.70027185       0.29593164 
Hf       7.17812996      10.78150001       0.07060971       2.79727234       1.10634393      -0.33817590 
Hf       9.01921995       1.65429003       2.54114996       1.99012168       0.97819232       0.79927422 
Hf       5.02609001       5.30770997       7.99052000       3.15830094      -1.20918659      -2.08834038 
Hf       3.89724004       3.67404996       5.14777000      -2.08479525      -3.61200163       3.70332569 
Hf      10.90910002      10.77150000       5.21954004       0.30140613      -1.91282456      -1.08435024 
Hf       9.46128996       1.68991996       7.78250996      -2.21666658       3.11792176      -1.81831192 
Hf       5.44924996       9.17312998       2.37180999       0.24948443      -1.73300666       1.02232206 
Hf       3.59949999       6.95113996      10.54699998      -2.37476459       0.45926298       0.94840649 
Hf       5.40696999       5.63613002       2.48870996      -0.28069702      -1.86369725       0.86650509 
Hf       9.09564999       5.59644999       7.80197002      -1.92556688      -1.42716035       1.72870400 
Hf      10.67770003       6.78942999       5.33238002       2.44957168       5.53359701      -0.20665888 
Hf       5.28229002       8.99332001       7.91077000      -0.04872196      -1.53838932      -1.09734914 
Hf       7.45445995       3.41391995       5.36965002       0.91467053       1.32619527       0.37284317 
Hf       7.01808998       7.33871996       5.52138003       2.21665490      -3.51048186      -0.28078759 
Hf       0.19455497      10.95194097      10.50269995      -2.97210476      -2.40318422       2.81583419 
Hf      10.86460004       3.39190004       4.95274996       2.95858012      -1.40451075       1.73981867 
Hf      10.90160002       3.42937004      10.47639994      -4.71496754      -0.47271534      -2.28680448 
Hf       1.68604004       5.18057997       7.77666004       1.87464296      -0.21163367      -0.96722621 
Hf       8.85464999       9.32624999       8.23864995       1.83062429      -1.09057942      -2.64474221 
Hf       1.88656003       1.20850997       7.87455997       1.48257002       7.04261058      -4.63714004 
Hf       7.07797999       7.15338002      10.52529994       3.75164688       0.80640759       2.00896192 
Hf       9.21262996       9.16847002       2.62137998       2.34275180      -1.96977627      -0.50167115 
Hf       1.77706001       5.57730005       2.59553002      -2.00039024      -0.10666365       0.37283112 
O       7.13723001       5.43442003       9.82933999      -0.14390810      -2.47556013      -3.40247584 
O       8.66409000       7.39074000       1.27651995      -0.32016385      -2.03505032      -1.73110312 
O       7.40665001       9.24337001       1.67646996      -4.21981283       1.96629469      -0.76979121 
O       5.31003003       7.44371004       6.39333002      -2.11525250      -1.00354011      -0.28318989 
O       9.36323003       7.47237003       3.66366995       0.20307011      -1.32374949       1.29633793 
O       4.96493000       7.03043997       8.94065003       1.71506541       2.13544499       0.71939847 
O       7.34326002       1.63080002       1.63121001      -3.60331737      -1.14257528      -0.46958377 
O       6.67297001       1.78931005       9.92322001      -0.00780863      -1.86801121      -0.96106550 
O       9.07870997       7.29381998       9.11066000      -0.29662300      -2.08002205      -1.45883917 
O       3.65518998       9.13032004       6.76216998      -0.65483936       1.28481682       0.58846336 
O       7.09099999       1.85969003       4.17133998       0.06854870      -1.25660258       0.11529741 
O       7.13651003       8.97133001       4.53807998      -0.51717058       2.02848283      -2.20352705 
O       9.20944997      10.93816592       0.79151297      -0.88823920       0.77711971       0.32607336 
O       3.35075002       8.72763999       9.51726996       0.72059936       2.32730304      -0.34038396 
O       7.42484995       8.85468001       9.51689998      -3.04547294       2.09538663       2.00704778 
O       8.30152997       0.26622993       8.91098002       1.26916510      -1.31928127      -0.42223918 
O       8.80146000      10.90580004       3.74215001      -0.06578436       0.00544398      -0.66478152 
O       5.53088997       0.21486303       6.42696997       0.29702037      -1.24175315      -1.51995661 
O       1.81486995       3.62601000       5.98767000      -0.73230313       1.20958169      -1.17379158 
O       7.68144995       1.81448004       6.81383004      -1.69364617       0.06231976       0.51580191 
O       9.36207005       3.71992997       6.40061000      -1.58734169      -1.07098198      -1.51092778 
O       3.70712005       8.52513998       1.55873998      -0.35056649       2.84587044       0.15355284 
O       7.43090999       5.55886997       4.25622004      -0.84090417      -0.13161207      -0.52282824 
O       9.20510003       3.55360004       3.80146004      -1.25586812      -1.07239771      -1.85145131 
O       8.78804001       3.57318998       1.23805996       3.17254725      -0.38136063      -1.13196718 
O       7.13833004       5.16568002       1.44624000      -1.52329397       1.51429854       2.89935369 
O       9.17223005       3.55405000       8.84187001      -1.09409895      -0.81178565       1.07131806 
O       5.39119005       7.17125997       0.97649701       0.82933089      -1.08216032       0.19759567 
O       3.48878005       5.12615998       1.49571996       1.66057801       2.24863752       0.10116164 
O       3.08648004       8.96517004       4.22554004       2.34965808       2.50149206      -0.13165019 
O       1.63338001       7.32651002       3.78249998      -0.18105884      -2.38854551      -1.47508715 
O       0.14272999       9.44888003       3.56599997      -2.51118317       0.12504090       3.83887069 
O      10.89970000       5.35064998       6.92533002      -0.17398363       2.09573889      -0.29460474 
O       7.06413996       5.67464997       7.07819995       0.11742110      -0.67931482       0.92163624 
O       8.96319002      10.64889999       6.31830002       2.60540730       0.35665949       1.32106942 
O       5.18481002       3.46096005       8.76157003      -0.55261472      -0.35567788       1.74135633 
O       5.75366998       3.38795996       6.35375999      -1.81485384       0.79751819      -0.94273935 
O       1.47700001       7.28575999       8.90978004      -0.61967079      -1.91225161       0.55671710 
O       1.76154002       7.34529998       0.89395695       0.03855423      -1.08925565      -0.28161222 
O       1.49585002       3.56279995       3.08196004      -0.50798698       1.58847940       1.66150811 
O       0.15742995       1.67418999       6.54374002      -1.35956529      -0.71827461       1.07375928 
O       1.64124998      10.70350003       6.31056001       2.25180795       0.03862289       0.24725374 
O       1.58746001      10.64429998       8.98253998       0.82573875      -1.46789634       1.37094850 
O       0.09710368       1.80344005       1.32143002      -1.11905567      -0.73342235      -1.31447906 
O      10.79270799       1.59246001       9.24710998       1.98940929      -0.51933190       1.66422901 
O       1.92269000      10.68509998       0.88281505      -0.64417875       0.09801085       0.71647395 
O       1.73999001       0.01198385       3.50186001       3.23581399      -1.77954968       0.64105613 
O      10.94539996       1.40524001       3.94404997      -1.97394528       2.67332582       0.70038334 
O      10.95527043       5.28785001       4.29929000       0.08898049      -1.47084034      -1.77372680 
O       5.13273003       7.30707997       3.67071997       1.12942326      -0.34901480      -1.04691605 
O      10.87040003       9.20054002       1.36602997       0.31202508      -0.64528355      -2.47111150 
O       1.46057001       3.94913000       0.59709403       4.90298606       0.52934057       0.84289733 
O       3.62783999       5.22974002       6.63017995       0.34466489       0.33728401       1.36981146 
O       3.39859995       1.64474996       4.25899000       1.87830460       1.91477196      -0.36047786 
O       1.90359002       3.39051004       8.55614995      -1.25191401      -1.73263760       1.51938336 
O       3.38536002       5.16719998       9.35017995       0.11135061       0.98103578       1.18267798 
O       8.97023996       6.98378003       6.25186002      -0.45197870      -0.05899568       0.77918322 
O       5.25789996       3.43231003       0.82601599       0.80344480      -0.73478240       0.46883102 
O       5.31588996       3.61304995       3.60508999      -0.10997756       1.18990680      -0.66233247 
O       3.35881001       5.26503000       4.26561996      -0.15216746       3.17477473      -2.51040357 
O      10.59289406       9.05050005       9.33547997       0.64929897       2.96067284       0.94965537 
O       5.27221001      10.67969999       8.95500002      -0.02964808       0.71660490       0.45397467 
O       3.52397996       1.81850998       6.83235995      -0.02354376      -1.66281393       1.82567856 
O       3.30737001       1.44752996       9.68410002       0.11749149      -0.03068576      -0.61963884 
O       5.26384997      10.63900004       0.74072204       0.70951556      -0.51820072       2.29719665 
O       5.28907004      10.87299997       3.38149999      -0.70942916      -0.20699747       1.37230194 
O       3.36778998       1.76286996       1.71921002       5.37648715       0.98031130      -3.19684318 
O      10.82829999       8.96100004       6.71738004       0.20987835      -0.09522967       0.29438596 
O       1.97702999       7.25380002       6.45414995      -1.30889500      -0.84719550       0.12803415 
O      10.74169998       6.03618997       1.78801002       0.61057843      -1.56171447      -0.77705050 
O      10.80429996       5.37135003       9.63315004      -0.02585279      -0.92474915      -0.57604284 
O       7.11330000       8.99376000       7.04571003       0.61125960       0.03475269       0.05772466 
108
Lattice="10.96009496 0.0 0.0 0.0 10.96009496 0.0 0.0 0.0 10.63297273" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016782032206021317 0.005263425736289461 0.0059128937078545595 0.005263425736289461 -0.007470547188501329 0.007960692463251302 0.0059128937078545595 0.007960692463251302 0.0035142576023788155" pbc="T T T" energy=-1056.06337894 free_energy=-1056.06337894 config_type=crystal 
Hf       1.47780002       1.93115996       2.43907996       2.44887856      -2.05624580       3.42715807 
Hf      10.81330005       7.13055996      10.35599995       3.91299042       2.16468210       1.41749528 
Hf       1.54914005       9.08760000       7.70030996       2.20922228      -0.93099514       2.28143935 
Hf       7.42956001       3.57163004      10.48730005      -4.02846548      -1.26336050       0.23608124 
Hf       8.72881000       5.41336999       2.41284002       4.33033657      -0.33192805       2.45053137 
Hf       3.58101999       7.51070001       5.30154002      -3.95432568      -0.66472856      -1.23797707 
Hf       3.62661004      10.53129999       0.06352723       3.55392375       3.47141935      -7.17240645 
Hf       7.09938003       0.06940305       5.31627998      -0.41982807      -2.35837542      -0.10085104 
Hf       5.58776998       1.47837005       2.63779002      -0.80311827       1.55348149      -3.62396046 
Hf       5.42620996       1.63329998       8.20957002      -1.31423341      -4.16054011       1.10832205 
Hf       1.74888997       9.20151002       2.71683001      -0.08259963      -2.55999868       0.39182114 
Hf       3.51283001       0.26771599       5.23823002      -0.35592316      -0.82960324       4.05252286 
Hf       3.73797995       3.12872000       0.19613900      -1.47375877       2.51945846       0.93881421 
Hf       7.71242001      10.66629997      10.30499996      -1.19405490       0.71576018      -0.16624521 
Hf       9.03387997       1.83193998       2.59384001      -0.77427389      -2.79903164      -2.33925298 
Hf       5.32693002       5.16870001       7.87401998       0.30108026       2.25827368       1.38818292 
Hf       3.48534001       3.78540001       5.18798997      -1.51119211       2.63533216      -0.27071450 
Hf      10.74500003       0.08124357       5.11319998       0.74814956      -3.25667814      -0.87457333 
Hf       8.97826998       1.60213002       7.79056997       3.09694149       1.35295830       3.66974763 
Hf       5.34229005       9.16428000       2.82272995       1.58861705       1.69334782      -1.67634155 
Hf       3.41653001       7.24829002      10.52379996       0.39995550      -2.00930552      -2.88314265 
Hf       5.55967005       5.41031004       2.63705996      -3.59935703       1.14314346       1.54966187 
Hf       9.31418999       5.38977005       8.06536001      -4.56118407      -4.33453796      -3.50563228 
Hf      10.86830000       7.10471003       5.02870996       1.03057157      -0.44765486      -0.07353905 
Hf       5.49812999       8.58199000       7.83667996      -1.89932862       3.90756688       0.76960068 
Hf       6.94685003       3.42941996       5.39535995       1.91184676       2.71110938      -2.02011963 
Hf       7.20367004       7.40032001       5.00788996       0.76237134       0.07393877      -0.74497996 
Hf       0.35137801      10.72069996       0.07522275      -0.83428851       0.73224090      -2.48000420 
Hf      10.43499999       3.73850998       5.40116002       2.72038375       0.84960471      -3.01571858 
Hf       0.04860506       3.40402005      10.43250004      -1.70191039      -2.49120699       1.04702841 
Hf       1.74944006       4.94411002       7.99739001       1.82917592       0.63875656       0.88026685 
Hf       9.07789999       8.82199996       7.58863004      -0.56455831       0.14565902       4.26529177 
Hf       1.66257999       1.65561002       7.88301995      -0.73067720      -0.77773894       0.00379778 
Hf       7.00225002       7.12529002       0.08985893      -0.66410032       0.76042804      -2.00085492 
Hf       9.23879002       8.93168005       2.33266996      -1.88709844       1.88578211       0.21827580 
Hf       1.92473998       5.29620000       2.30513003      -2.93747039       0.96567388       2.71459343 
O       7.29291996       5.41940001       9.53085001       0.69168688       0.72218824       1.34959953 
O       8.92462996       6.98269995       0.73225604       0.58060675      -0.52549903       1.68051657 
O       7.08743002       8.71198001       1.75791004       1.23337061      -1.13305810      -3.04344350 
O       5.32544000       7.49441002       6.01001000       3.56793368       0.43582646       2.64511606 
O       8.97689000       7.41677999       3.60685002      -0.06416007      -3.02824350      -0.20095839 
O       5.35716005       7.01558002       8.94006003       0.46216437      -0.21651278      -0.38230596 
O       7.54230004       1.02177995       1.20816004      -0.04179922       2.06509395       3.40076514 
O       7.53361998       1.53308997       9.42509999      -2.44967655      -0.20442416      -0.55073818 
O       9.65417005       7.00505000       8.80361996      -1.23952823       4.14437527      -0.65818872 
O       3.70644995       9.43159003       6.71126997       1.27810628      -1.13700298       0.11151603 
O       7.28085005       1.63674003       4.05240996      -1.39007118       0.14362459      -0.42595170 
O       7.31296006       9.36725998       3.98699996      -1.99806873      -0.96015005       2.87319071 
O       9.39511999      10.33160004       0.64738897      -1.05233962       0.13843704      -0.78143122 
O       3.59180999       8.72471005       9.33379997       0.41409461       2.06391260      -0.80611777 
O       7.64805005       8.70259006       9.37819997      -1.42814387      -0.75244227       0.28788624 
O       9.09533005      10.85920005       8.61559997      -0.45247667      -3.45020944      -0.09410654 
O       9.10645005      10.66549999       3.19669001       1.69433612       2.37148809       0.71075105 
O       5.53236999       0.64139703       6.42287004      -0.71138157      -0.08729780      -0.29057497 
O       1.95123995       3.26542998       6.45795002      -1.89926248       3.05262436      -0.07781695 
O       7.47314995       2.05036996       6.82361998      -5.53788730       1.68557014      -2.20548932 
O       8.85305002       4.04232995       6.33454002      -1.95904314       0.64385779      -0.09168499 
O       3.56281002       9.18470995       1.26289997      -1.50481202      -5.87951770       4.79956021 
O       7.17385004       5.55545995       3.95286003       1.97312722       1.10156784       1.06092541 
O       8.71206999       3.50615005       3.60674997       0.57703752       1.69416801       0.74486921 
O       9.02256006       3.23298996       0.93850296       1.15603229       0.90838687       1.75806367 
O       7.07335002       5.08976003       1.39726002       0.81242209       0.71499704      -0.51499046 
O       8.72102998       3.44097004       9.16669004       5.12307401       1.57043247      -4.79190217 
O       5.12037004       6.84759004       0.85365195       1.67644284      -0.16228834       1.57902356 
O       3.71110996       4.82707001       1.92363002       0.20671928      -0.06560208      -2.06634676 
O       3.51187999       8.85313003       3.80640997      -0.35927181       1.86127849       0.09959153 
O       1.51636005       7.46288002       3.78038003       0.79811810      -1.92544890      -2.31602981 
O      10.82449995       8.98838001       4.32424999      -0.45851238       3.17879307      -1.49699978 
O       0.05750510       5.44207996       6.58223002       0.23753462      -0.95162183       1.05656342 
O       7.07522003       5.75219004       7.12223000       1.13493821       0.48713805      -1.05155514 
O       8.92383996       0.43064504       5.95601002       2.77992525      -1.19131702       0.02471962 
O       5.68543999       3.46801002       8.85696994      -0.30090381       1.06926984       0.08181510 
O       5.29341997       4.51914998       5.94019996       0.30252867      -2.87430170       0.98149639 
O       1.53367995       7.31602998       9.03827000      -0.33668228      -1.90860367      -1.97287961 
O       1.71512005       7.05307998       0.73411702      -0.67867931      -1.97581482       3.81795408 
O       1.96805000       3.63725997       3.59358996      -1.66718743       1.86254816      -0.86078890 
O      10.63909997       2.24146995       6.74158000       1.40658436      -1.57775776       0.09137460 
O       1.78112996      10.89659995       6.39433997      -3.17181349       0.93449451      -0.62194502 
O       2.09357005      10.91840002       9.19777001      -1.68278933      -0.53387422      -0.56952270 
O      10.87320004       1.52819004       1.21117002      -1.64891206       0.06786937       1.38708183 
O      10.95380003       1.62786005       9.25413997      -0.48322501       0.38327135       0.87589089 
O       2.14966995       0.31803499       1.14881997      -2.64382504      -0.75485602       0.68450568 
O       1.53962997      10.90610005       3.63908005       0.64202458       0.87398391       0.87825456 
O      10.66391198       1.65124002       3.92668995       0.64774199       2.46153455       0.13055330 
O      10.75829999       5.27138996       3.92041001      -0.69821387       0.89677735       1.65629012 
O       5.58656996       7.39928001       3.55371004       0.85009408      -1.90565382       0.12187626 
O       0.05041381       8.82131003       1.21895995       2.09349275       0.08517662       2.79803604 
O       1.68040998       3.08699996       0.89473095       1.48977091       2.87246946       0.01206001 
O       3.31339004       5.54949996       7.09035001       1.82938452       0.09530848      -1.52969746 
O       3.26063000       2.02569002       4.50836002       1.49943143      -2.67302693       1.43589563 
O       2.10371000       3.14254002       9.20727004      -1.72822052       1.73731129      -1.51740108 
O       3.32868003       5.31865997       9.63431000       0.37896913      -0.99412501       0.58055763 
O       9.21538002       7.33171004       6.24932004      -2.74181503      -1.31599101      -0.93309180 
O       5.47734998       3.03518995       1.06630002       2.96992959      -0.28977541      -0.14136230 
O       5.70480001       3.74501995       3.72130004      -0.96936805      -3.44670070      -0.04047403 
O       3.73129002       5.80881997       4.20904003      -1.07198388      -1.57886460       0.25592671 
O       0.06371607       9.09776998       9.46392002      -0.34685619       0.76610618      -1.02354034 
O       5.26974003      10.60919996       9.27105001       2.56096500      -0.43921402      -2.11134681 
O       3.46147999       1.78706003       7.19518995       4.19696776      -1.03045789      -0.05731357 
O       4.03965996       1.62255997       9.74924000       0.30581056      -0.62938189       0.59184799 
O       5.42373002      10.74639996       1.26675995      -0.86355735       1.25251285       2.33536415 
O       5.20992005      10.74880000       4.27284000       0.20990417       0.52615626      -3.62917791 
O       3.62669005       2.06951998       2.34131999       0.84189479      -1.29019341      -2.75415540 
O      10.75409998       9.04878000       6.73267999       1.57753645       2.46850077      -0.09652100 
O       1.85912003       7.65115998       6.33099998      -0.88316430      -0.50732295      -0.63977528 
O      10.82349995       5.07594998       1.46803000       0.53277434       0.03974530      -1.59608460 
O      10.95897418       4.99514000       9.21042995       0.26596582      -0.04623994       0.90907190 
O       7.35938000       9.32476002       6.73641003      -2.08850801      -0.84069260      -0.49111952 
108
Lattice="10.96202741 0.0 0.0 0.0 10.96202741 0.0 0.0 0.0 10.63484751" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0027914678019498413 0.005750893178930102 -0.015214579087933725 0.005750893178930102 -0.011104700167897994 -0.01283053432007738 -0.015214579087933725 -0.01283053432007738 -0.005480045786472633" pbc="T T T" energy=-1058.716269 free_energy=-1058.716269 config_type=crystal 
Hf       1.84859004       1.70154004       2.39301999       1.26683725       3.25503660      -0.68915512 
Hf       0.08297257       7.35653997      10.46420000       0.73223042      -0.08652966       0.47069828 
Hf       1.74022996       8.62621000       7.57048001       1.76343131       2.61954765       2.51346934 
Hf       7.02455004       3.42675005      10.32859995      -0.02847425      -0.06250898       0.28746933 
Hf       8.91300996       5.37653999       2.43757001      -1.57620763      -3.37917139       0.93241161 
Hf       3.46858005       6.95684001       5.41530998       1.81186645      -0.17310960      -2.41673386 
Hf       3.61497003      10.63890006      10.48310004      -0.72200765       2.45839800      -1.88744595 
Hf       7.16724001      10.69850005       5.27130000      -0.32619180       3.18701935      -2.67780717 
Hf       5.18064999       1.66843000       2.40648998       1.13112048       2.95132230       1.52691540 
Hf       5.47961002       1.36969995       7.85184000      -2.33371428      -0.46125002      -1.38624471 
Hf       1.50905999       9.12289003       2.52267995       0.69123775       0.12033149       3.01115592 
Hf       3.43062995      10.71469996       4.96327004       0.88301370       3.09160810       3.45314862 
Hf       3.54480999       3.64570997       0.21567705       2.57023862       1.14618027       0.85926214 
Hf       7.31520995      10.74929995       0.10837303       0.87549426       4.26400710      -1.78988418 
Hf       9.19995999       1.97387999       2.73985002      -1.94171208      -1.61071984      -0.79338479 
Hf       5.57845999       4.93148004       7.76317005      -0.45166708       2.15428983       2.44295697 
Hf       3.47203999       3.39498001       5.41075996       0.16532334      -0.54591297      -2.88273005 
Hf      10.80459044       0.00665000       5.14802999       0.34880137       2.31500532       1.83507440 
Hf       9.04936004       2.13335995       7.75646999      -0.20089012      -3.09494876      -1.07773550 
Hf       5.32474003       9.09286997       2.66778000      -0.25117869       0.90557024       0.12856213 
Hf       3.63689003       7.25193000      10.57010001       1.16124229      -2.07233695      -1.53221437 
Hf       5.44068002       5.46793995       2.66591996      -1.86748705      -2.57376875      -1.13837994 
Hf       9.43852002       5.35488001       7.88830998      -1.78383270       0.55081705       4.25828785 
Hf      10.77579999       7.33857003       5.33755999       0.69795303      -3.33948037      -4.31776414 
Hf       5.64743997       8.84603997       7.88634998      -0.21234058       2.22873998       1.95866483 
Hf       6.87044005       3.32495995       5.24361004       0.84310797       1.80807674      -2.22587670 
Hf       7.31849001       7.21313999       5.28936998       0.70933431      -1.81608066       1.30273615 
Hf      10.92390444       0.07973362      10.46540004      -1.52381590       1.15933305       0.79692304 
Hf      10.63469996       4.00496005       5.05122002       1.22562384      -1.81386485       1.82985873 
Hf      10.73999999       3.30244000      10.42520000       1.59577265       2.82496392      -2.56489583 
Hf       2.06378001       5.12038997       7.91123999      -1.77187568       3.78653949       5.03503403 
Hf       8.98098999       9.00831997       7.83979997       1.98843261       1.50642647       3.59209252 
Hf       1.91606001       1.89560004       7.99577001       0.34952747      -2.32256047       2.04886968 
Hf       7.26696004       7.29537997       0.12665497      -0.77275319      -0.85605754      -0.52626739 
Hf       9.14956996       9.12482998       2.52211003      -3.14804254       3.57717419      -1.76621745 
Hf       1.52356001       5.52185997       2.63011998       4.26767206      -2.41580180      -1.40332069 
O       7.45519000       5.12577002       8.79279004      -2.95598890      -0.53473060      -0.24181319 
O       8.94036000       7.12934000       1.66563003       0.39491140       2.40877865      -0.88387613 
O       7.28821004       9.22222003       1.25449002      -0.15830328      -2.83637630       0.63469429 
O       5.06594004       7.18982003       7.27144001      -0.49954447      -2.67353324      -2.43757149 
O       9.19576998       6.58845998       4.25781998      -1.52138186       1.32643954       1.61820128 
O       5.52649000       7.33095997       9.64931002       0.68063327       0.76973536       1.66758241 
O       7.46411002       1.79932998       1.03485000      -1.60492341       0.58055734      -0.86240421 
O       6.99162997       2.09466004       8.70481996       3.71115667      -0.71638288       0.65845359 
O       9.54531998       6.38306995       9.75662999      -0.93429648       1.53223503       0.66682483 
O       3.03387000       9.00098999       5.93453003      -0.48210646      -2.08763733       2.70378560 
O       7.33041998       1.39649005       3.77760004      -1.39996912       1.14098815      -0.52526918 
O       7.41783996       8.97937999       3.69946996      -1.26982210      -1.31362768       1.73073081 
O       9.25971006       0.20787260       1.78200004       0.59216357      -2.86255257      -1.00261175 
O       3.75028004       9.10807003       8.71479003      -2.01461987      -0.10965141       0.57244475 
O       7.67754003       9.04824005       9.44292996       2.08892227      -2.86673428      -1.22846064 
O       9.01554997       0.50496700       9.82356998       0.47587029      -1.38305755       0.06277276 
O       9.09205999      10.72311342       4.12620002       0.94291166       0.46404720       2.58596764 
O       5.58373996      10.63610003       6.54465995      -0.75771510      -1.37521786       1.42113232 
O       1.73730003       3.65157005       6.89473999       0.09830733      -6.63149014      -2.36422120 
O       7.13453995       1.74303997       6.32133996       1.57624055      -2.22912964       0.27339212 
O       8.93682003       4.08381002       6.59045999      -0.85744653      -3.03536449      -0.41784769 
O       3.87468995       8.91575003       1.17516001      -1.09520659       0.48678499      -2.33292122 
O       7.16144997       4.92414995       3.67573000      -0.18903120       2.68406680      -2.28029367 
O       8.92764997       3.51532005       4.21140004      -0.15268352      -0.73502977      -1.89218905 
O       9.56195003       3.41119000       1.33981999      -3.32114237       1.60788949       2.72944458 
O       7.17893002       5.33456003       0.76823799       0.86590354       0.10451182       1.33021182 
O       8.92094998       3.25023006       9.33079996       1.60843003       1.58140362       1.46853195 
O       5.54699996       7.20977004       1.71721999       2.26180291       1.34430801       0.79096206 
O       3.89660995       5.62014003       1.00303000      -1.05100219       0.25546731      -0.58370908 
O       3.31904002       9.32495002       3.57497003       1.91201895      -3.43464490      -3.11493136 
O       1.48405999       6.98657999       4.25778999      -0.36237299       0.52623912       0.28025172 
O      10.57600005       8.91138999       3.66846002       4.37704249      -1.44475707       1.96419443 
O      10.85964745       5.67411004       6.47378997       0.46268564       0.87969760      -2.25768655 
O       6.75992001       5.26853004       6.18706002      -0.40017730       0.63868269      -1.22203864 
O       9.17965996      10.91371918       7.25419996       0.22972163       0.75389877      -1.70350429 
O       5.22262995       3.26327004       9.35562999      -0.77669717       2.58006426       0.92749011 
O       5.17006999       3.26623001       6.74041995       2.37810843       1.67168739       0.52290810 
O       1.74164998       7.12544004       9.32423996       0.01938552       1.36235554       0.38958365 
O       1.50320002       7.41550000       1.49029000       1.04126381      -2.19001240      -0.24335909 
O       1.81834997       3.95885004       4.33712000      -1.97456373       0.58983605       0.97369319 
O      10.35580000       2.22933995       5.98277002       0.81097426      -2.45844744       0.25629733 
O       1.61966005       0.42218199       6.77546996      -1.04367570      -1.42202212      -0.47018946 
O       1.72868004      10.92240001       9.61739995       1.26294306      -1.45122762       0.28463934 
O       0.42378496       1.85134995       0.90840304       0.25916694      -2.31728208      -1.03666249 
O       0.04357263       1.72481998       8.94337002      -0.08625032       0.40870820      -1.49487426 
O       1.90887001      10.85259996       1.79689000       0.20147077      -2.49775778      -2.28640197 
O       1.62039001      10.61020004       4.35995004      -4.33732002       0.13886505      -1.49264496 
O       0.21897264       1.80578004       3.38386002      -3.24188200      -0.30428899       2.78972303 
O      10.73700001       5.00608003       3.16566995      -0.82774294      -0.05071991       1.48922665 
O       5.47779997       7.27903000       4.73977000      -0.47383659       0.82186347      -1.58674349 
O       0.01497259       9.23226004       1.07396997      -2.05166269      -0.25659890      -1.71192060 
O       2.81686000       3.60292002       2.21648004      -1.53584489       0.22335541      -2.59069146 
O       3.52293000       5.11393005       6.44530995       2.64303844       1.22892352      -1.44393376 
O       3.44529999       1.47392998       3.53580997       1.39386526      -0.92390218       0.54380925 
O       2.08766002       3.32461004       9.74829004      -2.75434484      -0.78623679      -2.94588194 
O       3.59382001       5.44826004       9.06183998       2.12339407      -0.28290777       0.65385757 
O       8.40447000       7.10464003       7.36223002       1.44671236       0.01264288      -2.22726158 
O       5.36371004       3.51124996       1.32578997       1.10611575      -0.94617537       1.23159292 
O       5.23256001       3.30494000       4.01318998      -0.57575751       0.34096816       0.89562341 
O       3.65374996       5.86412001       3.56545004       0.18660022       0.38895588       1.13129005 
O      10.77219995       8.92267003       8.92472000       0.82470202      -0.67062338       0.28075200 
O       5.97179003      10.43419998       9.14674999      -1.68646884       2.95030914       1.86313706 
O       3.90325995       1.63811999       6.12106005      -2.08172547      -2.20668514       0.22740304 
O       3.82230998       1.25044000       8.95477004      -0.94926460      -1.07824606      -1.77492538 
O       5.46698001       0.04087258       1.37170996      -0.50822672      -2.15594724      -0.51521054 
O       5.21426998      10.63209998       4.11672001       3.79956702      -0.28152851      -1.32390573 
O       3.33654999       1.51709000       0.59619795       1.45843068       1.03013663       2.74718812 
O      10.94339997       8.96491001       6.23669997       0.33452887       2.20811881       2.33603472 
O       2.07576995       6.83206999       6.82739003      -2.26319835       2.74820698       0.66442240 
O       0.47718900       4.95748997       0.77012099       1.34954442       2.54712766       0.67333066 
O       0.17785604       4.61296002       8.70653005      -0.18849963       0.30578336       0.08355620 
O       7.56532000       9.10691003       6.50367995      -2.69990832      -1.37939703      -2.83671487 
108
Lattice="10.96443686 0.0 0.0 0.0 10.96443686 0.0 0.0 0.0 10.63718505" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010170434188375346 0.0024935261182410583 0.0038313926818722933 0.0024935261182410583 -0.016628901666719417 -0.0020759121352920944 0.0038313926818722933 -0.0020759121352920944 0.0023083963540507057" pbc="T T T" energy=-1057.55509251 free_energy=-1057.55509251 config_type=crystal 
Hf       2.08767000       1.70312001       2.25094005      -1.54105523       0.07748258       0.23247180 
Hf       0.21125597       7.28820997      10.25800004      -6.29061684      -0.05608502       0.50842559 
Hf       1.66834005       9.09688999       8.00277001       1.17804343       1.61083404      -2.37947937 
Hf       7.30644997       3.64815004      10.37439999       0.98177237      -3.03395600      -0.07518011 
Hf       9.14006004       5.29212996       2.59352995       0.06626282       1.83269790      -1.74523436 
Hf       3.37768995       6.99797003       5.03754001       2.54399352       3.20270025       0.19808626 
Hf       3.82491003      10.84379999      10.45499996      -0.55394139      -2.43580189       2.27437485 
Hf       7.17822998      10.84429996       5.14081995       1.97946009       1.70257248      -1.86910054 
Hf       5.24244999       1.65409999       2.70918998       4.79541304      -4.73036667      -3.20583416 
Hf       5.24091003       1.66955995       7.75367001       1.05538021      -1.29601174       0.49716767 
Hf       1.71367997       9.21152997       2.46243005       1.22214494       2.32895211      -0.53595853 
Hf       3.66326002      10.74940002       5.18730998      -2.30987799      -0.78357153       0.95240850 
Hf       3.91788001       3.50158995      10.35680002      -4.15035147      -2.40599271      -1.20335581 
Hf       7.41539996      10.87510005       0.04496721      -1.32842552      -1.60826037       1.72094280 
Hf       8.96483003       1.72044996       2.46124996      -1.22684431      -2.22619101       1.60962479 
Hf       5.51676002       5.40008997       8.08111001       0.12016108       7.34974002      -2.15708467 
Hf       3.43233001       3.64090002       5.62741000       4.68861957      -3.23096945      -0.89812066 
Hf      10.68320004      10.84449996       4.99905000       1.45296670      -0.31102369      -0.26942930 
Hf       9.09546998       1.77009002       7.70573003      -3.03641287       0.08472998      -0.29360566 
Hf       5.44630003       8.82088002       2.77115999       0.22281557       4.58457471      -1.00004886 
Hf       3.48979002       7.10683000       0.31105799       5.62269320       5.24188872      -1.05769498 
Hf       5.31927999       5.27328999       2.53492002       2.53582929       1.66914471      -0.20451950 
Hf       8.96767004       5.25130004       7.87186999      -0.88977275      -0.04181982       2.08056447 
Hf      10.77049998       6.87574002       5.47696000      -3.89969772       4.23174130      -0.87590131 
Hf       5.24888995       9.04867004       7.94432996      -2.13962123       0.09291579      -0.65373929 
Hf       7.06151004       3.76069001       5.14880997       2.08142783      -3.55339142       0.91506142 
Hf       7.26000001       7.12687003       5.46451003      -3.59996060       0.94419307      -1.49585348 
Hf      10.75680003      10.91670000      10.57930004       1.33485661      -0.95626575       1.42646856 
Hf      10.75400004       3.61917005       5.14513003      -0.48486193      -3.51089118       1.55216391 
Hf       0.01786534       3.50493004      10.60223190       0.19722711      -0.52503128       0.36569288 
Hf       1.84029005       5.37047996       7.84061996      -1.61977157      -2.59389101       0.31035457 
Hf       8.97546005       8.97897997       7.67137000       2.98753578       0.76242269       3.76674190 
Hf       1.67767002       1.63644999       7.84308002       0.90312845      -1.37921903       0.16349811 
Hf       7.35481004       7.18377996      10.43280005       1.00900572       1.28350880       2.05937330 
Hf       9.25595995       8.71204001       2.74832003      -0.95145946       1.96500097      -1.23128805 
Hf       1.66816001       5.47185002       2.81780000      -1.54720721      -1.67190801      -0.79869961 
O       7.49722996       5.36530003       9.35181005      -2.59031180       0.01276072       1.74467908 
O       9.59092997       7.51555000       1.33536998      -0.60575400      -2.78491997      -2.45172907 
O       7.42747005       9.20292004       1.96957001      -1.67708676      -1.56998982       0.81840027 
O       4.98591999       6.95558996       6.38503000       1.25629459       0.37553013       0.19822051 
O       8.77872999       6.84991000       3.85828998      -0.13508937       1.43585902       1.22584729 
O       5.79540003       7.31710005       9.10565995      -0.68515555      -0.59495288      -0.70494920 
O       7.30810000       1.87896995       1.25144004       1.05072893       0.51532375      -2.73722570 
O       6.99296005       1.99990002       8.96084000      -0.82588094      -0.58214182       1.29144536 
O       9.18022004       7.08285001       9.27480002       0.05663535      -0.44665590      -1.59094229 
O       3.43429001       9.24070996       6.92336996       2.66345120      -1.00339778       0.12699296 
O       7.07540998       1.47406997       3.57694005       1.33458657      -1.47727648       2.76335978 
O       6.56661998       8.91791003       4.62114996       1.52658453      -1.55372057      -0.32076555 
O       9.03324001      10.67590003       1.35947001      -0.45969456       3.32067344      -3.43807571 
O       3.42425997       9.14697005       9.30825004       2.02565180      -1.61124490       1.57427289 
O       7.78800003       9.01563002       9.84327002      -1.02182908       2.12810862      -0.45131234 
O       9.12311001       0.21222896       8.79469004      -2.21310284      -2.42268343       1.54764775 
O       8.88560003      10.60429995       3.77878000       1.76374699       1.34389984       0.45215093 
O       5.58763996      10.72509998       6.35136001      -1.98879212       1.34955868       0.80410857 
O       1.71865004       3.34325997       6.15980005      -4.16357096       0.98673071       0.91736425 
O       7.67971997       1.62011001       6.11255000       0.05881933       0.68716320       1.54725847 
O       8.94008999       4.05351996       6.17604995       0.84466679      -1.74753371      -0.56303154 
O       3.47449003       9.20999999       1.53080996      -0.35744970      -0.81733820       1.60013885 
O       6.57429005       5.44549996       4.44637005      -0.39764127       1.50475459      -0.92452041 
O       8.80263005       3.77379996       3.89894998       0.12511793      -1.09317426      -3.02323064 
O       9.12620999       3.95182996       0.83215603      -0.30763076      -1.16055861       0.52163452 
O       7.34780004       5.96966001       1.65510004      -0.70225551      -1.53137680      -0.11139656 
O       8.91488998       3.37902004       8.86198002       0.98795319       2.13722922       0.61953091 
O       5.33060000       7.85533998       1.14112998       0.56474868      -4.09197234      -4.45581941 
O       3.47412995       5.75996998       1.66977000      -1.58091462      -2.15314965       2.68637008 
O       3.33093002       8.92782001       4.50227005       0.52868949      -0.81749965      -0.82207272 
O       1.73890004       7.48648997       3.48731996       0.38706646      -4.31755669      -0.81353670 
O      10.82970005       8.78673995       4.26610997      -0.83287840       0.98767616       0.23345154 
O      10.69259996       5.25915003       7.12167996       5.52714218       0.70992728      -2.30074767 
O       7.18577000       5.12958997       6.91837995      -3.21653324       1.49145242      -0.52909678 
O       9.13238998      10.53750000       6.21147997      -0.04460132      -0.96624534       1.27377442 
O       5.32628999       3.69744001       8.59599997      -1.28247353      -5.31936909       3.00709141 
O       5.38581000       2.96481004       6.00620995       0.53311458       0.75708933       0.31754253 
O       1.77266996       7.10589002       8.60610998      -0.67251406       0.45669625       1.38428965 
O       1.80102004       7.85524996       0.48279002      -2.10389156      -0.32382575       1.37257659 
O       1.01969000       3.48847001       3.05315995       2.07630434       0.77348133       1.15615417 
O      10.82730004       1.98990001       6.89622003       1.53065273      -0.47786270      -0.27593140 
O       1.65100999      10.46650001       6.42206996      -2.85014120       2.74346972      -1.77467188 
O       1.66666995      10.73680002       8.95707997      -1.30412211       4.00330005       0.93645725 
O      10.80490003       1.52826005       1.76321001       0.40823027       0.81641036      -1.81847183 
O      10.73460001       1.68165998       9.50863003       2.51927198       3.46184649       0.87595701 
O       1.94479002       0.04236319       0.94445300      -0.43421531       1.64524516      -0.46984774 
O       1.91930998       0.14957904       3.64850001      -1.34954182      -1.80666972       0.30880550 
O      10.71209999       1.85355000       4.33761005      -1.83796431      -2.82550982       0.07672320 
O      10.88350002       5.28128997       4.21472003       0.32015400       2.93627647      -0.97804864 
O       4.99328996       7.06848002       3.47044002      -1.66607490      -1.78505670       1.97532724 
O       0.02826095       9.32359003       1.32598000       1.16805243       0.68766106       2.17213201 
O       1.97107999       3.13100996       0.75819802      -0.44369637       1.72040257      -1.95782846 
O       3.73809000       4.95834005       7.09302998      -1.43130587       0.68952677      -0.55920119 
O       3.66518998       1.90946995       3.56325999      -4.81333994       2.47604135       3.88888724 
O       2.42809998       3.43599005       8.73006999      -2.46491558       0.84498431      -0.73762276 
O       3.69259000       5.53958996       9.87217998       0.12787978      -2.00059533      -2.96645562 
O       8.94605004       7.14182004       6.43542005      -0.19151030      -0.49743338       1.12243101 
O       5.45686997       4.15741995       0.69234097       2.18738511       0.76237503      -0.48506696 
O       5.74501000       3.44419002       3.05923995       0.55324127       3.77127819       2.16038871 
O       3.33531996       5.02082999       4.31660001      -0.36882617       2.03472886      -2.84100486 
O      10.46739997       9.35169001       9.43444003       1.76651593      -3.35060380      -0.69954228 
O       5.43956995      10.80981791       8.97436996       1.07189006      -0.55004575      -0.20723642 
O       3.49465001       1.61364001       6.42432004      -1.11596041      -1.01110793       1.87182221 
O       3.59987998       1.45410000       9.25899998       1.15267412       2.20336621      -1.82197211 
O       5.40209997      10.64219996       1.14173002       2.36818096       0.94954134      -2.15393131 
O       4.84701999      10.75089996       3.57835001       1.52495965      -0.35643953       1.30898666 
O       4.15594995       1.83771001       1.09170005      -1.92364966       0.98088393      -1.88224068 
O      10.89996794       8.40460005       7.02470000      -0.22833426      -0.02593216      -0.16664808 
O       1.54744003       6.52367996       5.87823004       5.65121995      -1.29873517       2.47603329 
O       0.00035821       5.57306000       1.67255002       1.93790055      -0.46058884      -0.80500055 
O       0.04437647       5.23765996       9.56308997       1.75133753      -0.51080700       0.64689044 
O       7.13305003       8.81804002       7.04212998      -0.47105836      -0.97173361       0.15073737 
108
Lattice="10.96690692 0.0 0.0 0.0 10.96690692 0.0 0.0 0.0 10.63958138" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.023252324204679847 -0.00553799819246495 0.007397465102244489 -0.00553799819246495 0.0015689762210765621 -0.004534181965763958 0.007397465102244489 -0.004534181965763958 0.010586519800501636" pbc="T T T" energy=-1058.61511129 free_energy=-1058.61511129 config_type=crystal 
Hf       1.86312998       2.22542000       2.61150004       2.67785005      -0.98909126       1.62408342 
Hf      10.85970003       7.09839005      10.34219997      -0.05211420      -0.23919037       4.33952554 
Hf       1.70053999       8.97872996       8.06327995       1.99284023      -1.56093438       0.10284744 
Hf       7.12287005       3.15958003      10.29699995      -1.33734335       4.74529728       3.82254294 
Hf       9.05422999       5.66972999       2.79047003      -0.20284048      -2.32814568      -3.51929497 
Hf       3.68064004       7.15010001       5.26455998      -2.06338705      -1.46342513      -2.33393293 
Hf       3.24389997      10.77669996      10.54429999       3.52543865      -1.97273925       1.71152574 
Hf       7.47723999       0.00986484       5.58453997      -3.17694677       2.03769394      -4.23069339 
Hf       5.96288002       1.97896004       2.60090004      -6.07732707      -0.64002403       2.88381296 
Hf       5.51768995       1.29245996       7.97070995      -6.08308222       1.76113129       0.30424459 
Hf       1.61874003       9.35361997       2.36644005       0.13756783      -3.69609913       2.11675466 
Hf       3.53701995       0.08005052       5.06918003       2.30853372       0.79957231      -2.13426129 
Hf       3.48901001       3.15557996      10.43240000       2.57933302       3.98220745       5.58079952 
Hf       7.04992005      10.54949997      10.54319997      -1.11714446      -1.71491539      -0.48755752 
Hf       9.49106997       1.67840000       2.56081999      -2.88845281       1.04404760      -0.04743157 
Hf       5.64339001       5.10664995       8.00538999      -3.31372590       0.48260922       1.87378250 
Hf       3.64817997       3.73314005       5.72670999      -3.50947493      -0.83094378      -3.42094043 
Hf      10.91980000      10.86719997       5.05376998       2.40135977      -2.22588620       0.08648916 
Hf       8.96931005       1.63658998       7.73161004       2.05361429      -0.11551715       1.88529312 
Hf       5.15057000       9.19903999       2.59541001      -1.08226547       1.91756342       0.35092773 
Hf       3.64798004       6.88316001       0.17330399      -3.45049735       3.68032257      -2.26080464 
Hf       5.35366001       5.38104997       2.47646002      -1.30750974      -1.55564607      -0.16632860 
Hf       9.18367996       5.21715996       7.71410995      -2.49863624       0.35006720       3.50033595 
Hf       0.04586876       7.01821001       5.44333996       1.78930645       3.34618132       0.52882003 
Hf       5.45127995       8.75161004       7.42752996      -1.56476471       0.77584545       4.65058322 
Hf       7.30849000       3.89497003       5.25849000      -4.28323206      -3.38429674      -0.67068175 
Hf       7.33095999       7.65230999       5.01851998       0.28154307      -3.81617806       0.66744204 
Hf      10.73459998       0.00589559      10.61579564       0.40470246      -4.70827524       0.11462397 
Hf      10.53420004       3.57269004       5.07906995       5.34996122       0.27986104       1.71687884 
Hf      10.53710002       3.31418995      10.60949999       0.03751083       3.57608461       0.80356925 
Hf       1.69220997       5.27400001       8.28054999       1.32398289      -1.36190950      -2.40039422 
Hf       9.16090005       8.73290006       7.95282003      -2.31569410      -0.76024786       1.66137830 
Hf       1.57371002       1.52301001       7.82474000       1.90880094       0.85597904      -1.59630758 
Hf       7.30664997       7.11360006       0.09371982      -0.39668446      -1.37454049       0.26108508 
Hf       9.07821001       8.98847000       2.71187002       1.53923885       0.50017464      -1.62747438 
Hf       1.67756005       5.56183000       2.55262996       1.69457678       0.55035076      -0.87470659 
O       7.04161997       5.24395003       9.74114002       0.25652025       0.50906962      -0.60897403 
O       9.01887005       7.29738995       1.30539003       0.86786078       1.27703639      -0.66772767 
O       6.65881997       8.82048002       1.30638004       3.13034728       0.76165318      -0.52824067 
O       5.72581004       7.19436003       6.21707000      -0.10120723       0.14589950      -1.93914689 
O       9.17450000       7.26058995       3.90064002      -0.60540165       5.18936258       0.44307937 
O       4.65213000       6.77438003       8.49504001       1.83887168       1.47091863       0.56583115 
O       7.44679004       1.81592995       1.54947001       3.02757004      -0.51709392      -1.54206091 
O       6.93876003       1.46383005       9.52474998       0.52776588      -2.39892018       0.24929608 
O       9.29197005       6.85588005       8.96645997       0.28142830       1.38681443       1.60302554 
O       3.65629998       9.07162997       4.35364999       1.22283493      -0.12790732      -0.36947212 
O       7.05327001       1.71707995       4.54996995       0.90303771       1.02372212      -1.53148122 
O       7.21716001       9.23014005       3.81547996       0.46193313       0.19214991       0.40689342 
O       8.88149002      10.87989998       1.02215001       1.00836619      -0.28026713      -0.14552579 
O       3.57145999       9.10891998       6.92005001       0.56008210      -0.09810291      -0.17568166 
O       7.08741997       8.48664002       9.28169002       0.53520290       1.03442815      -0.69036505 
O       8.87774997      10.51099999       8.93978005      -1.11541118       2.13753627      -0.47917535 
O       9.15873003       0.01789306       3.68420998      -0.03197249      -1.51127522      -0.78551701 
O       5.56243998       0.01249306       6.24103002      -1.52556620      -1.44545464      -0.20310471 
O       1.59670005       3.97699997       6.32724999       1.04427492      -1.81065225       1.30757401 
O       7.11657001       1.60971997       7.09875998       4.51865379      -0.44634238      -2.11242138 
O       8.81696995       3.26789995       6.32811999       2.81876800       0.26071872       0.49594755 
O       3.43116002       8.94747998       9.49550996      -1.63313419       0.63536296      -0.22131878 
O       7.69356004       5.51683003       4.32459000      -1.16047238       1.41861567       0.87863150 
O       9.05120005       3.48722997       3.83092002      -0.35984866      -0.87849724      -1.46390970 
O       9.03052995       3.63324995       1.38061996       1.62983806      -0.82803400      -2.95228254 
O       7.12960001       5.99805001       1.87639998       2.83538662      -1.51005469       0.83999851 
O       8.76440995       3.38105003       8.89940996       1.19779528      -0.47010510       1.22787841 
O       5.43431996       6.95811004       0.57071800       0.73278007      -0.20717960       0.66079796 
O       3.65665004       5.40013995       1.46849002      -0.66169396       0.28260109       1.98025786 
O       3.27969003       8.93834005       1.40703995       4.55953191       1.24404396       0.88550231 
O       1.80408997       7.20713001       3.72339002      -0.15271503      -0.29006279       1.74197039 
O       0.16310105       9.03498000       4.01991005      -1.97106199       1.52082200       0.34118096 
O      10.85720001       5.31004001       6.88043002       0.69032221       1.60170578      -1.85747235 
O       7.29340995       4.88565000       7.14930001       0.85444252       0.24084541      -2.03720458 
O       9.34825002       0.19320696       6.10996995      -1.73335091       0.56123434       2.53752372 
O       5.28888002       3.44550002       9.22363003       0.25634172       0.27665265      -2.37490775 
O       5.46199002       3.48134996       6.29992999       1.76859184       0.93771307       1.19121879 
O       1.27015996       7.16292997       8.98462003       1.43471474       0.10995631      -1.41136950 
O       1.78320996       7.22774999       1.20222003      -1.32675979      -0.76265606      -1.85341305 
O       1.03383003       3.88161004       3.61725999       0.50574546      -1.96547924      -0.65529353 
O      10.81849999       1.87637998       6.76271997       1.28569137       0.41646220       0.70815265 
O       1.88232996       0.14545803       6.12931005      -3.72122048      -0.88382344       1.91270199 
O       1.63348997      10.77619998       9.31172002      -0.91538534       1.85747517      -3.96928160 
O       0.14642904       1.80575003       1.24036995      -1.38920338      -0.63573735       1.34454138 
O      10.56629996       1.57349002       9.49447005      -0.35707217       1.83988898      -1.94901453 
O       1.64160000      10.80619995       1.01491999      -1.82701228       1.52170019      -0.86073473 
O       2.20149997       0.00707815       3.37773003      -0.77776843       0.41254939       1.14865015 
O       0.11635099       1.49649005       3.94717000      -0.47264043       2.68828327      -0.71765835 
O      10.65660004       5.57996005       4.29489003      -1.10307219      -2.54171956      -0.62755831 
O       5.24041002       7.08131995       3.45713003       0.70109082       3.68278576       1.65539406 
O      10.86800001       9.09637000       1.31081004      -1.99930750       0.46762572       0.17207715 
O       1.93895002       3.80398002       1.24020004      -1.13903921      -2.11482880      -0.99765240 
O       3.52657002       5.52206004       6.63448003       1.15406118      -0.32804547       1.93548584 
O       3.14138001       2.10760997       4.38611997      -0.07125769       0.46979167      -0.42188674 
O       2.12874002       2.97793000       9.09202001      -4.08549640       1.57822834      -2.02314740 
O       2.96831005       5.34239995       9.87844999      -1.32139810      -2.93570875      -3.53897201 
O       8.63566998       6.84609998       6.59999002       1.40391527       1.40697722      -1.53156994 
O       5.54983999       3.57953997       0.97992396       0.82025917      -0.89312760       0.75861939 
O       5.59131003       3.74757996       3.60343002       1.96644934      -0.99743291       0.65917327 
O       3.65404003       5.28207999       4.08649000      -0.66593525       0.01772789       1.29438589 
O      10.77739997       9.14054997       9.18470002       0.98584533      -0.99928999       2.16757366 
O       5.69595000      10.49140004       8.61561999       0.24256103      -1.81877665       2.23958411 
O       3.52165005       1.88601002       7.02180995      -0.12008548      -0.70186786       0.49591270 
O       3.85137998       1.50459997       9.65413995       1.26535204      -4.70820250      -1.86656452 
O       5.38010999      10.84609997       1.07680001       0.19815001       0.15580937      -1.70726867 
O       5.19199003       0.19150698       3.60472996      -0.28082757      -1.11505308      -0.84309696 
O       3.57819005       1.75616996       1.52221002      -0.96790546       0.81434464      -0.24796140 
O      10.59479999       8.98650002       6.71950997       2.39404227      -0.45279069      -1.98142732 
O       1.82621000       7.33674996       6.42377004      -1.13520447       0.31191048       0.20285142 
O      10.92240003       5.54368996       1.41116002      -1.82377764       0.06593064       0.13674950 
O      10.88359999       5.03976004       9.43414000       0.71643569      -1.07598098       0.34594794 
O       7.66316997       9.11604002       6.43787004      -1.33569435      -0.12286681       0.53891641 
108
Lattice="10.96968996 0.0 0.0 0.0 10.96968996 0.0 0.0 0.0 10.64228136" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02767860306678119 0.01040065231489864 -0.001422502925340402 0.01040065231489864 -0.0013855610056845988 0.0018050726196191416 -0.001422502925340402 0.0018050726196191416 0.0003611045202439144" pbc="T T T" energy=-1058.07137162 free_energy=-1058.07137162 config_type=crystal 
Hf       1.48565999       1.62948996       2.50433995       1.35713839       1.26506798       5.20583501 
Hf       0.02959008       7.31723000       0.13381860      -4.10031699       1.95670822       0.19331835 
Hf       1.71215996       9.06498002       8.09103002      -0.82120206       1.54885871      -2.69844932 
Hf       7.19449003       3.64963998      10.48773138      -2.55080579      -0.52579245       1.16665133 
Hf       9.18340002       5.24664003       2.62374996      -4.16995475      -0.06211143       2.02169436 
Hf       3.80463995       7.24202005       5.21623003       0.96128028      -0.96601065      -1.03319075 
Hf       3.34104001       0.11526204      10.42500003      -0.96489884      -2.03748057       1.69266668 
Hf       7.14700005      10.66960005       5.23842004       0.15982431      -0.98311195      -0.20281648 
Hf       5.24853000       1.64470997       2.61481002      -0.65855197       2.45755233       2.40084868 
Hf       5.18988000       1.60896995       7.78813995       5.10126246       0.49113824       2.30672357 
Hf       1.91548996       9.06004004       2.82176004      -5.50463165       0.87571197       0.79730086 
Hf       3.49902000      10.68899995       5.56062000      -1.86075437       2.33817148      -3.46676651 
Hf       3.47566004       3.37617000       0.16904796       1.06438158       2.11481228       0.75190557 
Hf       6.97474004      10.61090003      10.51700000       2.90122813       1.17404920       0.06589176 
Hf       8.80355004       1.69196004       2.10029999       1.77978060      -1.70441866       2.31810027 
Hf       5.38966998       5.07304995       7.79956997       2.37234661       1.52425787       3.96299500 
Hf       3.71364999       3.47732996       5.41595000      -0.97629731      -0.99976012      -4.09321926 
Hf      10.75460001      10.81089997       5.19583005       2.76288108       4.53446461      -2.44992396 
Hf       8.87981999       1.86711001       8.03732003       0.66327818       2.30471084      -3.34972593 
Hf       5.30893997       9.03157995       2.41905004       3.59336432      -1.56941867       2.11508639 
Hf       3.72749999       6.95089995       0.21120001       1.75573400      -2.68692900      -0.42889092 
Hf       5.49841997       5.44643000       2.81721004       2.79226269      -1.01406257       0.07383961 
Hf       9.13860002       5.45377004       7.57616997       4.69063540       0.03089482       1.56226243 
Hf      10.93455481       7.13190005       5.16888997       2.24682148       1.19576940       0.01346019 
Hf       5.18709995       9.04502999       7.84320003       2.80188114      -1.53336275       0.71405348 
Hf       7.42994005       3.07206003       4.97785995      -1.41049570       2.13890458      -0.67907129 
Hf       7.29031005       7.05136004       5.66030997      -0.54325957       0.20778555      -5.72975861 
Hf       0.04660999       0.09132475      10.39919995      -3.00037891       0.12455940       3.32453568 
Hf       0.00361002       3.66486997       5.38835999      -2.70193459      -4.66555553      -1.21174232 
Hf       0.01501005       4.05216003      10.39510001      -1.15283932      -1.71199401      -1.22610192 
Hf       2.01891001       5.64278998       7.89467004      -1.89381408      -0.35212535      -0.22845143 
Hf       8.94432999       9.11525005       7.85112001      -0.80017271      -0.03141184      -1.21233625 
Hf       1.36297005       1.79622004       7.84726995      -1.23372688       0.08207789      -2.38655992 
Hf       7.24662995       7.24044996      10.56409997       0.20293088      -2.69658277       1.12519433 
Hf       9.22688003       8.95541004       2.70550003      -0.53325938       0.85406548       0.06936552 
Hf       1.78936003       5.23476995       2.50226002       0.08315786      -2.48011270       1.11371445 
O       6.80118002       5.45330997       9.84347002       1.61315180      -0.24411627      -0.95012230 
O       9.01369003       7.38468997       1.01600998       0.51641884      -0.52373586      -0.36197587 
O       7.25878996       9.25009003       1.72798999      -1.16112405       0.74726697      -1.92273831 
O       5.58504004       7.45143000       6.43070004      -3.22174856      -1.84298044      -0.09524618 
O       9.90147000       6.98959004       3.52505999      -3.10173593      -0.67669234      -1.59970579 
O       5.50279995       7.13462997       8.94774996      -2.43711471       2.86823914       0.48707357 
O       6.92742996       1.49201002       1.73617997       1.98771885      -4.20329464      -3.35178829 
O       7.60714004       1.66628000       9.52500997      -2.16130571       1.66808634       2.16800630 
O       8.94233998       7.22946996       8.77190999       1.76422266      -1.44691517       0.03319824 
O       3.30697001       8.89710998       4.17100996       0.99116123      -0.13570723       1.12407728 
O       7.17446003       1.25099002       4.01085002       0.27372967       0.90726631       0.08085418 
O       7.83875001       8.83260996       4.23285003      -0.06068143       0.30548155       1.24850988 
O       9.12060995      10.83150598       0.69214695      -0.81462479       0.43541862      -1.48690690 
O       3.77198998       8.87929004       6.47441002      -1.48375783       1.57196549       1.00629410 
O       7.56348001       8.76234997       9.46581004      -1.83405372       5.52496132       0.65702393 
O       8.84115995       0.06761004       8.57672001       1.85941100      -5.74878618       0.45299258 
O       9.57167998       0.12490999       3.25561999      -0.41022751      -2.20124033       1.19218405 
O       5.26568999       0.11761000       6.42181001       0.61101766      -1.63577449      -1.02572388 
O       1.58022004       3.30242001       6.47706995       2.69593042       1.11927767       0.31562101 
O       7.25074995       1.60887002       6.39161999       0.60776639      -0.26557139       3.01395127 
O       9.03343997       3.74516997       6.21416005      -1.29699680       0.80558888      -0.57573472 
O       3.51270995       9.93944004       8.67036996       0.81704457      -0.99203052       1.48395227 
O       7.10367997       5.38365003       4.46798996       1.59036415      -0.15827636       1.08378624 
O       8.66254005       3.38290001       3.41198000       1.26735453      -0.15886793      -0.10854362 
O       8.80987001       3.31272000       0.86526898       3.34235691       0.65744481      -0.59709683 
O       7.15980003       5.19200000       1.70105001       2.94349935       0.52861580       0.15451206 
O       9.59730002       3.75287003       8.70624999      -1.15014964       1.26485645       1.70587527 
O       5.63454000       7.15603995       1.27514996      -2.54944464       0.89817888      -2.57280274 
O       3.77451005       5.27552004       1.59701001      -0.92183443       0.92496661      -1.28726199 
O       3.47581000       8.68726003       1.77128002      -0.63805632      -1.81502530      -3.53376335 
O       1.58336000       6.91512000       3.37530000       0.68807291       3.33565132       1.87432254 
O      10.92480001       9.00421002       4.30825996       0.73494528       0.39948203      -1.02329238 
O      10.88737549       5.46052002       6.28927998       1.71801648       0.00243434       3.01021469 
O       7.35869005       5.62437998       7.19839995      -4.72213967      -0.22373012      -0.58100992 
O       9.19054995      10.28169997       6.06817998      -2.64742551      -0.66167569       1.39348185 
O       5.78514002       3.45207005       8.90112995      -0.80806398      -1.50917781      -2.02914749 
O       5.50466995       3.69220995       6.32278997       0.73130227      -1.76324634      -0.84611260 
O       2.47611999       7.34610003       8.75172999       1.12599316      -0.61470291       2.29794295 
O       1.71532000       6.81268997       0.83801197       2.55184951      -0.70778355      -0.45093922 
O       2.44100996       3.46046998       3.34756004       0.06042629       0.15139649       1.83841862 
O      10.37600003       1.79197005       6.43016995       1.17993811      -1.22196366       3.16365602 
O       1.48803998       0.01271003       6.88791001       0.70304570      -1.38394536      -2.05805125 
O       1.63152001       0.21734795       9.13821997       0.84368643       0.05086938       3.12619726 
O      10.87043423       1.62637995       1.47128997      -1.34069050       1.02480546      -2.95554217 
O      10.73580004       1.72421005       9.02262000       0.26855657      -0.62972948       2.86835384 
O       1.50628005      10.81580002       1.44636000       2.22603494      -0.85739222      -2.29866322 
O       1.74601001       0.07381000       4.28809996       1.13397068      -2.22830550      -2.15504867 
O       0.12514200       1.85406003       4.30999997       1.29884747       0.97133365      -2.69107351 
O       0.12230798       4.78498995       3.78229000      -0.28731695       0.33481353      -1.09119373 
O       5.85935996       7.20349998       3.65111004      -2.34879813       2.96708590       1.21124922 
O       0.00274966       8.91776996       1.62789997       1.42141908      -1.77542347      -0.86985990 
O       1.65218000       3.61831000       1.13515000      -0.70207419      -0.47438867      -1.51163828 
O       3.59547001       4.98566002       6.82443997      -0.43223292       0.67179129       1.06453246 
O       3.79555002       1.44496003       4.13769005       1.34513989       0.62136837       1.81404200 
O       1.70689001       3.73328003       9.35524004       1.32698985      -1.39596863      -1.77500204 
O       3.95491998       5.06740001       9.71155000      -1.11973494       1.57951555      -0.81640058 
O       9.16487002       7.07166000       6.20148999       0.00509609       1.23623750       0.25090589 
O       5.74697998       3.15834004       1.10449001      -4.69347598       1.22439733      -1.72053628 
O       5.81722000       3.49300005       3.61143998      -1.66952802      -1.99296867       0.43979170 
O       3.97107000       5.36626000       4.17460003      -1.49312848       0.29432719       2.71082462 
O       0.43971004       9.06885002       9.61538997      -1.40603922      -0.49468675       0.88808145 
O       5.81516999      10.82770005       8.77243997       0.39304662       0.34968032       1.79945336 
O       3.57343004       1.71619000       6.88819000      -3.38825391       1.18314401      -0.87524441 
O       3.86445997       1.73907003       9.70125998       0.92556185       1.77503999      -3.26155377 
O       4.92927999      10.33540000       0.74586195       2.40853844       0.30629174      -0.30099887 
O       5.40893999      10.34120000       3.91599004       0.12789370       0.06843433      -0.20546399 
O       3.47924000       1.57156002       1.41050999      -0.50350340       0.41902922       0.40135440 
O       0.24821008       8.47836005       6.81282999      -0.71660110       1.14467177       1.65193691 
O       2.16333003       7.04969999       6.28962000      -0.92000124      -1.82795082      -0.33849876 
O      10.57080000       5.31360998       1.36238995       3.34738111       0.35423016      -3.77870401 
O       0.23681805       5.72195998       9.15441997      -0.03730771       0.82055074       1.45010307 
O       7.08782998       9.27824001       6.86524003       0.61937694      -0.90146221       1.04217211 
108
Lattice="10.97277674 0.0 0.0 0.0 10.97277674 0.0 0.0 0.0 10.64527601" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006120551425287657 -0.0003674242854112181 -0.007130963778697026 -0.0003674242854112181 -0.016312660733340294 -0.010564699459631512 -0.007130963778697026 -0.010564699459631512 0.0020290478077109636" pbc="T T T" energy=-1059.37438317 free_energy=-1059.37438317 config_type=crystal 
Hf       1.22035997       1.68107998       2.57945002       1.58161226       1.68032208       1.32149619 
Hf       0.02604378       6.97133995       0.00362397      -0.10955564       0.01637172      -1.03104569 
Hf       2.05981996       8.95603996       7.54469002      -0.31666879      -3.57177240       2.94435850 
Hf       7.01306997       3.71554998      10.38220005       0.92541220       0.13810931      -1.15936065 
Hf       9.12305999       5.47697000       2.77181005      -2.07683926      -0.76258291      -1.33622575 
Hf       3.44970001       7.27160999       4.93062997       0.06261613      -0.34393076       2.72659888 
Hf       3.39942000      10.71939996       0.07230484       2.64353631      -0.03347358      -2.75060081 
Hf       7.43777996      10.88500001       5.09483996      -2.86841208       0.01209376      -1.05877286 
Hf       5.25697998       1.87006005       2.80155998       1.67014326      -1.04590945      -0.84397389 
Hf       5.33459997       1.75090996       8.09099004       4.25629326       0.14258382       2.28052953 
Hf       1.63864002       9.38767004       2.59490004       0.06241488      -2.32217266      -0.00584899 
Hf       3.59965002      10.94450000       5.35356998       0.16280945       1.26021067      -1.20687878 
Hf       3.52195004       3.30510997       0.51013099       1.90495783       2.19799693      -2.10408807 
Hf       7.26856998      10.94620002       0.23330198      -0.10575515      -1.03572412      -2.64143097 
Hf       8.75702001       2.15373003       2.39884003      -0.03356277      -3.69179837      -0.97093663 
Hf       5.48002998       5.46423005       7.79336995      -0.59997705       1.02166010       2.92215921 
Hf       3.57445005       3.93496996       5.29505003      -0.08668686      -2.97265728       0.57180852 
Hf      10.60930000      10.88730002       5.31766996      -0.20914746       0.29952643      -1.49921798 
Hf       9.07913004       1.41400995       7.95971005      -1.38537037       2.14290028       1.93510781 
Hf       5.29583996       9.10005996       2.66186000       0.02901232      -2.16063696      -2.96408660 
Hf       3.68839005       7.00228999      10.33839995       2.57032678       0.61640693      -2.78678093 
Hf       5.45060000       5.42457005       2.69170999       3.32353765      -1.86735037      -2.10367815 
Hf       9.05432005       5.32389998       7.82709003       0.08810029      -1.43798939       1.88265962 
Hf      10.77879999       7.05050996       5.00251997       1.97896265       4.80155316       4.41127990 
Hf       5.44916004       9.29687997       7.50361001       2.40499047      -2.51162019       6.47067210 
Hf       7.16856003       3.34422002       5.49334001       0.05198299       1.68724409      -0.38749343 
Hf       7.23857995       7.04340004       5.18804999      -1.34478480       0.04678927       1.47957930 
Hf      10.95218259      10.50330001      10.42190001      -0.30429191      -0.83112279      -1.76503316 
Hf      10.90239998       3.38563995       5.31015003       3.35190571       3.58941921       3.40171638 
Hf      10.88419999       3.35567000      10.46930002      -2.08468822      -1.24215660      -1.31048466 
Hf       2.01025999       5.04498999       8.07525004      -2.46756771       0.87013163       0.30867959 
Hf       9.31468999       8.73877997       7.86034002      -1.35972343      -0.55441001       2.16734322 
Hf       1.70367995       1.49981004       7.97139005      -1.08473140       2.53013242      -0.75774679 
Hf       7.44698996       7.45163002       0.13009496      -3.20283555      -0.87031110      -2.74842427 
Hf       9.09651004       8.89028998       2.51134995      -0.23420623       2.02966223      -0.01761989 
Hf       1.94508005       5.39542998       2.52547996      -1.44399077       1.03817331      -1.93416118 
O       7.11487002       5.52732999       9.37046003       0.58546357       0.05960755       0.21454555 
O       9.21113002       7.46119005       1.00522000       1.11719257       1.00748854       1.69017430 
O       7.22243000       9.04129997       1.86005004       0.23903412      -0.10280947      -0.74240075 
O       5.20347003       6.43135995       6.01358998       0.83013377       2.06784879      -0.98556922 
O       8.93394002       7.25050001       3.86313000      -0.50719848      -2.39612190      -1.73293436 
O       5.33607000       7.38682996       8.90926005       0.01375063      -1.16085602      -1.66304296 
O       6.78853997       1.96159002       1.37064997       1.25904973      -2.51367652       1.27988432 
O       7.69653998       1.46745000       9.59529997      -0.54688313      -0.85473642       0.45791141 
O       9.16618004       7.05065996       9.17887998       0.68624704       0.36098532      -2.26120896 
O       3.53942001       9.17527000       4.18194995       0.27920557       2.17638390      -0.77157315 
O       6.84345004       1.72148997       4.35220996       0.73760984      -1.04732899      -0.37220812 
O       7.22703001       9.03452999       4.42048003      -0.74018147      -1.02148654      -0.49368747 
O       9.20773000      10.49050005       0.92177605       0.82479094       0.04401150       0.45301001 
O       3.84817003       8.57601001       6.69111996      -1.84857149       0.20086464      -1.34187208 
O       7.75829005       9.09243004       9.61163004      -0.19940480       0.99298978       1.11124849 
O       9.80331005      10.56760005       8.61779995      -0.68358004      -0.42947835       0.15739009 
O       8.91049997       0.02665595       3.67742997       0.54743433      -0.15039199       0.12620126 
O       5.35700002      10.53820003       6.02912995       2.38853026       1.69543433      -1.85705982 
O       1.68129999       3.25129004       6.68795001       2.29849847      -0.55334155      -2.10860672 
O       7.15570005       1.88658999       6.95707004       0.94341721      -0.01425185      -0.37321814 
O       9.39177002       3.90272997       6.29550999      -3.50786298      -0.40002653       0.38421699 
O       3.49790001       9.21178005       9.20672004      -0.46642591      -0.29533720       0.98122700 
O       6.90757001       5.36116002       4.17232002       2.97181995      -0.55375888       0.39535445 
O       8.77091001       3.33666998       3.80884005      -1.20868690       4.84036418       1.05046744 
O       8.63613995       3.50346003       1.03648997       2.95265321       1.20459465       0.25251430 
O       7.50143995       5.73075002       1.50411001      -0.13543818       0.04749091       1.47600935 
O       8.92479004       3.45398005       8.92633997       0.04936680       1.48767859      -1.12726492 
O       5.42839999       7.53573998       0.97311502      -0.68510688      -0.83909251      -0.35589540 
O       3.81144996       5.03518000       1.78926001      -4.25804977       0.61020804      -1.81988000 
O       3.40915999       9.24124997       1.47713999      -0.45520143      -0.33118656       1.43958402 
O       2.03163002       7.45431001       3.33009995      -1.01469243      -0.74750519      -0.33656937 
O      10.58810005       8.92392001       3.90336999       1.81117119       0.37816131      -1.56862671 
O       0.45076397       5.36793999       6.80162005      -1.78064931       0.62797127       1.74025524 
O       7.17722995       5.27191996       6.66479004       2.42604902      -0.22935907       1.38894234 
O       8.87651004       0.16497098       6.34732002       0.29980783      -1.33207403      -0.43780357 
O       5.62866995       3.53137005       8.89742995       2.17456220      -0.98207610      -0.32759215 
O       5.31371999       3.40359997       6.30777005      -1.96766351       1.21930080      -0.42317709 
O       2.38855997       6.97116000       8.67274000      -1.01584510       0.13510495       0.33836463 
O       2.04694001       6.38398005       0.60431997      -1.42184644       1.07540879       0.16093435 
O       1.78051002       3.56361005       3.25473001      -0.64800760      -1.57287852       2.11831292 
O      10.79260002       1.66868996       6.65769997       1.28106417      -2.00242879      -1.17598795 
O       2.18029996      10.78489998       6.66316004      -3.25088876      -0.47265552      -0.58901407 
O       1.90121001      10.96555237       9.22211002      -1.73271177       0.24822142       0.98584069 
O      10.66610003       1.74323001       1.33099004      -0.78220958       1.03245863       0.10783983 
O      10.69449999       1.69857004       9.07757996       2.48360919      -0.02532353       3.09453757 
O       1.58123002       0.03162321       1.16452996      -0.00639639       0.75063241       0.56445375 
O       1.01461997       0.06481531       3.78771003       1.94413611      -0.98577920      -0.58549415 
O      10.60890004       2.10674998       4.01148001       1.34835162      -3.62995833      -2.96519743 
O      10.97086078       5.39635004       4.29479999      -0.43905845      -4.54600084      -1.98734108 
O       5.36446996       7.12273004       3.54036001      -0.98134681       4.67156589       1.63595661 
O       0.48228196       8.76370002       0.94051695       0.32963791       1.67431067       3.22588456 
O       1.64162001       3.88594996       0.85829103      -0.65178641      -1.14994051       1.53831980 
O       3.19181002       5.39717004       6.61213999       2.19802830      -1.39491341      -1.19440708 
O       3.30606000       1.67244002       4.39905003       1.06983868       0.18843982       0.65735841 
O       1.39786998       3.45602000       9.24584004       2.99451162      -1.76992912      -2.47664332 
O       4.06472996       4.94658997       9.39546003      -3.24173258       2.21614557       1.04516473 
O       9.19963999       6.90411995       6.27508000      -0.49843500       0.26264231       0.96323405 
O       5.50774995       4.02070005       1.03467995       0.84067581      -1.82596192      -1.28077122 
O       5.45506000       3.52581004       3.64769995      -1.46961852       3.36024869       2.28632686 
O       3.40110004       5.40049995       3.97859005       0.76825470       0.52805841       2.22993468 
O       0.23198601       8.69399995       9.27581001      -0.02574693      -0.11414187      -1.31217628 
O       5.56810999      10.82260003       8.78076997       0.76192534       0.17104867      -1.57148449 
O       3.79894999       1.33744005       7.25278995      -4.83341930       0.10806021      -2.37803880 
O       3.98404998       1.77638996       9.92333000      -0.88829550      -0.58973599      -0.18834260 
O       5.43871001      10.48459999       0.48098402      -1.78871459      -0.23442685       1.91431801 
O       5.55244997      10.95854044       3.11727001      -0.17717480      -1.30952574       1.84487945 
O       3.58897000       1.69847995       1.84238995      -2.67806858       0.49458191      -1.64140076 
O      10.81459999       9.17000000       6.23252998      -0.27656712       0.00001225       2.91939187 
O       1.72248005       7.37816004       6.11348003      -0.21850856       2.00238252      -1.70053480 
O      10.86940002       5.92187999       1.94402998      -0.35336014      -0.60859819      -0.77263237 
O      10.61569998       5.16127004       9.85150004       0.27731623       1.47716505      -0.36696210 
O       7.38570997       8.72967004       6.98748998      -0.09762134      -0.09644664      -0.38346846 
108
Lattice="10.97600889 0.0 0.0 0.0 10.97600889 0.0 0.0 0.0 10.64841169" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.01058314001706846 0.006598184296760898 0.014113368567760841 0.006598184296760898 -0.008874453387604944 -0.001459271387216088 0.014113368567760841 -0.001459271387216088 0.012575793497685273" pbc="T T T" energy=-1056.52565424 free_energy=-1056.52565424 config_type=crystal 
Hf       2.05030002       1.56786997       2.31120996      -3.37132337      -0.33553982       1.58958092 
Hf      10.92090000       7.38687001       0.04612104       0.46396598       0.93436518      -2.94725483 
Hf       1.91038005       9.06017003       8.13543999      -1.83337546       1.54738310      -3.77892212 
Hf       7.34679001       3.47417002      10.43019997      -3.20813910      -0.84033976      -0.43438117 
Hf       8.67644996       5.04897002       2.57250005      -0.31704263       3.40167861       0.59979116 
Hf       3.67066001       7.14382001       5.09106004       1.16886030      -1.24396203       0.87181700 
Hf       3.38086999      10.55589995      10.45889999       0.88562469       5.32571557       0.63416262 
Hf       7.70290004       0.09633061       5.24049996      -3.94318385      -1.46057473       2.06589481 
Hf       5.50632000       1.57266999       2.61198000       2.26104075       0.05035241      -0.37224563 
Hf       5.06339996       1.65130004       7.60553999       5.27901312       0.40353076       2.86010478 
Hf       2.00649005       8.72227996       2.52881004      -6.39009370      -0.18079713       4.59294725 
Hf       3.40279995      10.69370001       5.20903997       2.66932161       1.59469215       1.38544224 
Hf       3.43597000       3.62575002      10.45500001       2.09803906      -1.89165797       0.79833387 
Hf       7.28349005      10.57899995       0.12321203      -0.87530629       2.45161487      -0.94312928 
Hf       9.06445001       1.71191998       3.10768997       0.96809602       1.15112611      -3.46276388 
Hf       5.56531001       5.48588004       7.91313001      -1.86707784      -2.92796150      -2.50482197 
Hf       3.45184998       3.17788001       5.06044000       1.94098926       5.45476586       3.09665072 
Hf       0.17511695      10.92349999       5.13176999       0.42262183      -4.46965680       1.17204399 
Hf       9.24183000       1.82765003       7.91365998      -3.32930342      -3.26912826      -0.53654410 
Hf       5.36410001       9.08889995       2.56275995       1.26716452       0.18535900       0.67850467 
Hf       3.39421001       7.13868006       0.00052742       0.67560555      -1.67820412      -1.30927176 
Hf       5.12298004       5.03787997       2.65940004       2.23867803      -0.07588052      -1.70934750 
Hf       9.05112997       5.29052003       8.11736005       1.41439080       4.89845657      -1.06952326 
Hf      10.82440002       7.25664998       5.41621004      -0.46277977       5.47534778       1.06223705 
Hf       5.40804005       9.01559997       7.90733003       1.71204433       2.51452419      -2.87366073 
Hf       7.22107004       3.79222995       5.41461001      -1.17460092      -2.57788913       1.20019041 
Hf       7.25886000       7.30948004       4.94266005      -1.15744483      -0.80185423       3.62646564 
Hf      10.61560000       0.03083918      10.50489996       2.27983042      -0.21569755       0.46292761 
Hf       0.00819107       3.68643999       5.32166002      -1.47960393      -0.31637470       0.31741788 
Hf      10.66969998       3.69725005       0.02808827       1.69403648      -1.27754957       0.64000214 
Hf       1.75004998       5.48318005       7.73228995       2.39570864       1.68245747      -0.41330379 
Hf       8.83776996       8.80143004       7.67921997       3.35998140       4.54332757      -0.24905271 
Hf       1.57637999       2.08210004       8.11860996       4.54485608      -2.30923622      -1.16491446 
Hf       7.15316005       7.25154998      10.50610003      -0.88334542       0.64634551       1.32903782 
Hf       9.12592005       8.56386004       2.50126005       1.65868888       0.91593606       0.64761292 
Hf       1.48668998       5.02121004       2.60922003       2.80322728       2.86099546       0.92124584 
O       7.51888000       5.60586000       9.53063003       0.50087292      -2.59814031      -0.11039215 
O       9.22199997       6.77286999       0.95334303      -2.05709640       1.67540213       1.31775387 
O       7.26090000       9.06322004       1.47488999      -0.54574273      -1.65444243      -0.53730409 
O       5.38171003       7.77928000       6.34621005      -0.61596293      -1.03302785      -3.69313170 
O       9.24600999       6.66629996       3.96027997      -1.60365627       1.74216268      -3.25264009 
O       5.92403002       7.21537997       8.63673005       0.05995858       2.16170577       3.10743210 
O       7.45441999       1.40581995       1.86072997      -0.44166006      -1.58021459      -1.82546846 
O       7.60209999       1.80161999       9.51460001       0.83137034      -1.48041794       2.11681399 
O       9.78551003       7.54083005       8.90348000      -0.94323993      -0.82541002       0.16799205 
O       3.79898996       9.16502000       4.09929999      -1.14162713      -4.58340217      -1.17143744 
O       7.25468001       1.81062998       4.23733002       1.01195263       0.40914689       0.67623060 
O       7.21912004       8.91538999       3.92627001       1.41441256       2.16138083      -1.27203254 
O       9.28388995      10.16230006       1.07101001      -1.26120403       1.14327101      -1.81819204 
O       3.63387995       9.48708003       6.95092004      -0.72339348       0.95035881      -0.53146632 
O       7.79264998       8.97084002       9.39075004      -2.90358943       0.43794780       2.89561325 
O       9.54887002       0.02139114       8.74837002      -1.09281891      -1.42066123       1.28599198 
O       9.22325003      10.89549997       3.79768000      -0.50564637      -2.35071741      -0.65008975 
O       5.15568997       0.57833798       5.98258000      -0.83367985      -0.53527391      -0.05313931 
O       1.72376002       3.77454003       6.31449003       0.51258580       2.28619261       0.91046347 
O       7.32970004       1.74993001       6.80886001       1.56103920       0.99018412       0.00688724 
O       9.14203997       4.18939003       6.49081005      -0.71318730      -1.79880183      -1.63412560 
O       3.96860003       9.13929004       9.32534004      -2.44146732      -2.85782420       1.58203935 
O       7.24527005       5.43868002       4.34569997      -1.33188878      -2.76768380      -2.35627566 
O       9.07262999       3.59234004       4.02273003       0.40469543       0.70690095      -0.83374380 
O       8.93456003       3.50295998       1.30287001      -1.38803433       0.56101182      -2.35633468 
O       6.82207005       5.85105998       1.70739998       2.40242605      -0.44404034      -0.41335003 
O       9.04577005       3.55640996       8.92091997       0.64007945      -0.07408674       2.81580145 
O       5.24722001       7.63966001       0.43385995       1.14858644      -0.64727265       0.69495955 
O       3.47389002       5.26963005       1.21298997       0.58738688       0.25670241       1.55349534 
O       3.53133999       8.93637996       1.47517005       1.81877937       0.68000804      -2.70732055 
O       1.84567001       6.95953996       3.62699001       2.93104886       0.52644261      -0.59886808 
O       0.10539109       8.63405996       4.02111999      -1.47033120       2.19379313       1.28350758 
O      10.97030005       5.85104999       7.05493000      -0.15459365      -0.45762205       1.25431621 
O       7.29964004       6.16059001       6.77830002       0.03293573      -3.28581757       1.97942652 
O       9.35964000       0.09229111       6.17568000       0.69562454       1.21556227       1.65093711 
O       5.68826996       3.59196005       8.94909002       0.79855246       1.03283002       0.44579490 
O       5.32923999       3.86704001       6.37450001       2.94109560      -1.17599195      -1.19623422 
O       1.65094002       7.38029000       9.13251999       1.87662610      -3.64961179       0.59933913 
O       1.71867001       7.17583999       1.10387005       0.82905037      -1.56025663      -0.98967335 
O       1.58676999       3.41735995       3.72351999       0.14710384      -0.66293667       0.82491829 
O       0.02419112       2.33692005       7.09912996      -2.59075054       0.90912632      -3.11872304 
O       1.89118005       0.56177101       6.16002002      -2.62274900      -0.83962993       0.15136977 
O       2.22480001       0.12434095       8.79799002      -0.24343271       0.04239551       0.23210045 
O      10.61810001       1.61105002       1.63672998       0.54330526      -0.05574239      -0.82672918 
O       0.04209113       1.77945998       9.29701005      -1.19873064       0.86822932       4.59528826 
O       1.62749000      10.95044774       1.07806000       1.80142512       0.46176313      -1.26648189 
O       1.74573004      10.54350003       3.60258001       0.04150009       1.60576197       0.41598495 
O      10.81709999       1.67101997       4.52419004      -0.31146570       3.98628581      -0.95020570 
O       0.21050405       5.66950000       4.68327997       1.90362530      -8.37833516      -3.27798494 
O       5.40753998       7.13406003       3.43687997      -1.15955866      -0.20037599       0.43958397 
O       0.02019114       8.63552998       1.68175999      -0.78114138      -0.15901128      -0.50962476 
O       1.67352997       3.42190995       1.16633001       0.06318245      -0.60170443      -0.93580032 
O       3.92008004       5.72657996       6.57988998      -1.16375894      -0.40284703       1.73887541 
O       3.40666998       1.56602995       4.22524003      -0.86820051      -2.59966899      -3.34307156 
O       1.67658997       3.80620998       9.40409005       0.36891670      -0.20170673      -2.32324865 
O       3.79998000       5.31875999       9.40412998      -0.47264121       2.06800600      -0.67392928 
O       8.95231998       7.74876000       6.08010997       0.60834732      -0.70039990      -0.92298962 
O       5.81409003       3.47955002       1.25193004       0.06852555       0.37657983      -0.64894507 
O       5.37534998       3.21223997       3.82708005      -0.70889600       1.82521771      -0.13914506 
O       3.75269996       5.15160997       4.00500000      -2.20334663       0.04619778       1.50501934 
O       0.71290703       9.39627002       9.75957003      -1.37705016       0.27118580       2.00544032 
O       5.83798996       0.06279792       8.74077003      -0.28801358      -2.26159967       0.54795756 
O       3.42716998       2.40369996       6.98948997      -1.72161483       0.01026428       0.51537625 
O       4.03470996       1.62998002       9.72072004      -2.00190911       1.38500097       0.24246277 
O       5.31807003      10.82530006       1.09009995       0.41521446      -0.78263815      -1.76420946 
O       5.36281000      10.81400004       3.59607000       0.62896690       0.33435060      -0.48170326 
O       3.75195996       2.07063999       1.62246005      -0.25089212      -0.25186635      -0.21336880 
O      10.91530004       9.31898004       6.97178997       1.90750228      -1.07585776      -0.06402870 
O       2.27109001       7.43087996       6.52699996      -3.05555654      -0.09910120       0.27376979 
O      10.77999998       4.91367995       1.71652002      -1.07785646       1.10021644       0.30266685 
O      10.66150003       5.37339998       9.56208000       0.40753978      -0.77314211       1.72062804 
O       7.13825002       9.52523999       6.63239996       0.45298600       0.24002557       0.82189733 
108
Lattice="10.97971848 0.0 0.0 0.0 10.97971848 0.0 0.0 0.0 10.65201057" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02168467889180174 -0.0030607038552038276 0.0023554591241729847 -0.0030607038552038276 -0.003929309920186298 0.002801429262997769 0.0023554591241729847 0.002801429262997769 -0.032860527732399177" pbc="T T T" energy=-1059.47296796 free_energy=-1059.47296796 config_type=crystal 
Hf       1.73132000       1.71295005       2.72700003       0.62383938       1.08570529      -1.08408694 
Hf      10.74539998       6.99241999       0.03135302       3.99979642       0.27741985      -3.18006565 
Hf       1.64014003       8.80180996       7.85860996      -2.09922571       2.79163136       1.44139147 
Hf       7.16968996       3.86090996       0.00717626       2.57049184      -3.45253224      -2.01139642 
Hf       9.27364997       5.52960999       2.55118998       2.52086428      -0.98927024       0.60135225 
Hf       3.61170999       7.43386001       5.54390995       0.45942425      -3.63621282      -0.65302070 
Hf       3.81785003      10.91019995      10.43440001      -1.69051527       1.19004213       1.45543052 
Hf       7.17004998      10.88650001       5.48594000      -2.38457565      -0.06531392      -0.71786437 
Hf       5.34339002       1.62428004       2.57290996      -0.12743922      -0.02386735       2.62352115 
Hf       5.19630999       1.53496003       7.99377002       1.57614271       2.03287275      -3.17821574 
Hf       1.27040997       9.08897000       2.54629996       3.28821355      -1.21078224       0.92784959 
Hf       3.34236004       0.07410289       5.14722002       2.01080105      -1.11661528      -0.71511655 
Hf       3.58902995       3.30613004      10.53160003      -1.54513482      -3.01436002       1.60312319 
Hf       7.19379000       0.15234996       0.02964593       2.52300476      -0.04849476      -3.56155225 
Hf       9.17404998       1.44742005       2.29612002      -0.85981316       4.10970948       3.95251359 
Hf       5.54347002       5.20247005       7.85157004      -1.39002585      -2.51241434      -0.05377233 
Hf       3.70696004       3.64044995       5.11163996      -2.52414014       1.16873722       3.19261732 
Hf      10.68449998      10.83220003       5.35411999      -0.63506984      -1.29490595       0.29906984 
Hf       9.02337003       1.80187995       7.95421995      -1.08719528      -1.69269640       1.39552645 
Hf       5.35421997       9.13907002       2.69137001      -2.21874940      -1.05431807      -0.13758935 
Hf       3.40810000       7.35410004       0.16647899      -0.19176447       0.76100826      -0.02439443 
Hf       5.53244002       5.31032997       2.26518999      -0.45255805       2.04929499       2.90176523 
Hf       9.21796995       5.26889998       7.57820004      -0.57376165       1.48400878       1.21597111 
Hf       0.12701404       7.29886997       5.40754003      -2.65304658      -1.72630260      -1.23216589 
Hf       5.47096995       8.81941001       7.90349998       0.09021204       0.29341038      -0.68471944 
Hf       7.43703996       3.34245995       5.07090998      -1.96232119       5.62104754       1.59828642 
Hf       7.34549996       7.19583003       5.17387998      -0.39226664      -2.64752344       1.58805820 
Hf       0.12916804      10.81289999      10.53390001      -0.27221541      -3.61905754      -0.72330204 
Hf      10.92949999       3.36959995       4.90958996      -1.49356558       3.63053269       4.55219709 
Hf       0.05228377       3.13319003       0.00826979       3.74698155       0.75107733      -3.61291447 
Hf       1.96511005       5.17529997       8.36976000      -3.17708631       0.99459768       0.08875725 
Hf       9.03594005       8.96278998       8.04514999       0.21261266       0.27221025       1.13848491 
Hf       1.62032998       1.68976001       7.61883000      -0.31939995      -0.69178804       3.11316479 
Hf       7.17166005       7.21695995      10.43780002       1.70228508      -0.44947799      -0.77531666 
Hf       8.55440001       8.94671995       2.59460001       2.06883758       1.56598239      -0.15572283 
Hf       1.92728997       5.50567003       2.79652996       0.64977757       0.73234426      -0.91743394 
O       7.63782003       5.36538997       9.53347000      -1.27928747       1.60801904       0.39786930 
O       9.17756996       7.05247005       1.08392005      -2.27746464       1.89221182      -0.19803461 
O       7.04772999       9.02523998       1.24812995       1.27327712      -0.48648497       2.11296375 
O       5.60623997       7.80245004       5.94147004      -2.92900252      -1.85231756       2.49796383 
O       8.41829004       7.27829003       3.44831999       0.83160611      -1.58714123      -0.14344778 
O       5.45739002       6.95012996       8.74349996       0.43892644       3.90127078       0.52727857 
O       7.02096001       1.90270001       1.59398998       3.06020493      -0.17516432       0.49642347 
O       7.39510995       1.88999000       9.75912996       0.49793429       0.09390552       0.23931061 
O       9.25998000       7.12603998       8.76151006      -0.30819954      -1.79511882       1.07808960 
O       3.85766996       9.03624002       4.72818005      -1.32970588       2.54157813      -2.23198173 
O       6.75267004       1.77673003       4.42083002      -1.08935688      -3.85723438      -1.67198186 
O       6.94340005       9.00768001       4.24469999       1.00482736       3.02394763      -1.65313513 
O       9.05820999       0.30495202       0.92473395      -0.94137563      -3.67079410      -3.59437187 
O       3.48344997       9.05340999       7.40870003       2.95112918      -1.24789748      -2.19293508 
O       7.44771005       8.99306996       9.47738002      -2.06267349      -1.37745757      -0.16429345 
O       8.83006001      10.82690001       8.96945999       0.98655165       0.72967440      -1.06259867 
O       8.76072001      10.96589996       3.71709003       0.31521688      -0.32020425      -0.66672482 
O       5.04576004      10.96109995       6.32815997       2.71547751       0.40281827       1.06594185 
O       1.55870005       3.44284005       6.01221995       1.26836388       0.44494760       0.72381903 
O       7.09709997       1.80831001       7.05908005       0.06865675      -0.34253988      -0.76251099 
O       9.09300000       3.68137005       6.00417001       1.28152057      -0.10459436       0.89943061 
O       3.65987999       9.16644004       9.74126004       1.79253372      -2.72346497       1.23794029 
O       6.80139002       5.17602002       4.34909001       0.75630413      -0.56056667      -0.91134416 
O       8.92789995       3.42412995       3.06695000       0.67634920      -0.55426540       1.99154438 
O       9.37473002       3.62177005       0.48051198      -3.88176056       0.32531080       3.15003294 
O       7.62271995       5.38590996       1.58808003      -5.64920037      -1.70326901      -1.62166673 
O       9.24415998       3.58516004       8.76975002       1.05772681      -0.05051080      -1.57593150 
O       5.48362001       6.90411000       0.63364902      -0.93666617      -0.09482558      -0.42930214 
O       3.52869003       5.70064996       1.50292999      -0.87470095      -0.69922448       0.92514933 
O       3.41957996       8.99818003       1.98013005       2.07915191      -0.71431886      -0.96817317 
O       1.70523998       7.07195004       3.92230996      -2.11032614       3.56198708      -0.96661851 
O      10.61049997       8.93381000       4.21827000       0.89312163       1.10694182       0.03789119 
O       0.24690203       5.50299000       7.23953001      -1.02509799       0.00621203      -0.32850826 
O       7.21394997       5.63945999       6.94118999       0.98123855       0.09259622      -0.91357915 
O       8.86020998       0.37639101       6.30802000       1.97997698      -1.31000368      -0.81203059 
O       5.92299003       3.48426005       8.76515997      -1.05187565      -0.71354067       1.33131245 
O       5.31731999       3.80556999       6.31091000      -0.05860275      -1.28795215      -2.08081996 
O       1.97854999       7.36842001       9.07131004       1.41172224      -3.43209798       1.84461229 
O       1.65277000       7.60159003       1.11138999      -0.97920293       0.27666834      -0.89574318 
O       1.32578004       3.79519997       3.67149996       1.96962062      -0.50822217      -3.69172581 
O      10.87270004       1.84109995       6.82157995      -3.19231702      -1.01995215      -0.25357906 
O       1.58573003      10.71759999       5.95338996      -0.82486013      -0.08121202       1.07164258 
O       1.73080000      10.79780003       8.69193996      -0.60166985      -0.52734898      -0.19813810 
O       0.21718805       1.40847005       1.43760003      -3.95039420       0.45791946       0.84637994 
O      10.90189994       1.38243000       9.49856996      -0.79988791       3.80002170      -1.11719212 
O       1.87128001      10.79030000       0.73204004       1.09233093      -0.64558112      -0.06253532 
O       1.92997001      10.83380000       3.36211998      -1.32874839      -2.11236918       0.22709013 
O       0.28212299       1.58636005       4.44541998      -0.52427110      -2.87190683      -3.77836060 
O      10.28950000       5.66864002       4.23480001       1.69758490      -0.80070216       1.12078936 
O       5.54546998       7.13053003       3.03062004      -0.24745738       0.98863546       1.36109192 
O      10.56800001       9.32594000       1.67923003      -1.80242211       0.42334002      -1.25122183 
O       1.83013999       3.06732995       1.04103995       1.97372839       1.30889874       0.28091875 
O       3.45884003       5.35215996       7.27991999       3.36481037       1.07680238      -3.03044962 
O       3.28938004       1.65524998       3.89260001       1.46195327       2.27594931       2.42948043 
O       1.96573995       3.24424000       8.90625000      -1.71787308       0.31032770       0.50567503 
O       3.88015005       4.83420996       9.61604001      -0.69859082       4.17657743      -1.06083022 
O       9.18769996       6.89868998       6.17027001      -0.04535340       1.34552400      -0.87613701 
O       5.36330997       3.78914005       0.87692997       0.12514599      -0.08544917       0.03212424 
O       4.53768005       3.61603995       3.42382995       3.02306510       0.03478617      -3.34372946 
O       3.34569996       5.62228002       4.43099002       1.41542777      -1.69875657       0.96526828 
O      10.83700004       8.75489000       9.40812001       0.65990916       2.23086059       1.62480438 
O       5.65272997      10.90950000       9.02902997      -0.57630086      -1.13721474       0.46362270 
O       3.21960997       1.78269004       6.65453001       4.51650358      -0.51931474      -2.10144984 
O       3.55048005       1.63289001       9.18822001       1.94322006      -0.73512455       1.98358699 
O       5.62162003      10.97226995       1.09135004      -1.60424227      -2.71485720       0.66228475 
O       4.94142999      10.85870002       3.66057004       1.74340480       1.11845504      -0.79608610 
O       4.01703003       1.41509005       1.27834001      -4.48185803       2.58123755      -1.64558823 
O      10.71189998       9.16086004       6.82074004       0.27769007      -0.19473943      -0.81849650 
O       1.82268004       7.24362003       6.32637000      -0.50351676       2.06270650       2.44659704 
O       0.28937301       5.71667003       1.61027999      -2.22209890      -1.02047456       2.41034091 
O       0.58590995       5.22606997      10.00940002      -0.77124717      -0.55311302      -0.62205338 
O       7.37241004       8.93067002       6.71902996       1.09798156       2.12149683       1.23360528 
108
Lattice="10.98375757 0.0 0.0 0.0 10.98375757 0.0 0.0 0.0 10.6559291" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010564239903556082 -0.007404628794343721 -0.020684142116274725 -0.007404628794343721 -0.01647443814703803 -0.011253879650919445 -0.020684142116274725 -0.011253879650919445 -0.024345874246076128" pbc="T T T" energy=-1053.28035433 free_energy=-1053.28035433 config_type=crystal 
Hf       1.71426997       1.39373998       2.70982003       0.60739549       0.81012660       1.63098079 
Hf      10.93619999       7.16504995      10.40429999      -3.90235182       0.29189901       1.12185291 
Hf       1.66785997       8.97321996       7.97346998       1.61207476       1.90972705      -0.18121606 
Hf       7.26685005       3.88308002      10.41109996       0.43570507      -3.57928680      -0.67231123 
Hf       9.13274004       5.38545002       2.54137995       1.86003046      -0.16137184       2.59978327 
Hf       3.60065004       6.96489997       5.13378997      -1.20512659       0.74858474      -3.19456737 
Hf       3.56804004      10.75629999      10.31259997      -2.30013878       0.20122817      -2.52524030 
Hf       7.56402001      10.65510004       5.37583002      -0.09356011       3.82373507      -2.65031882 
Hf       5.19387000       1.55805996       2.67198999       0.34073017       2.24372465       0.37757464 
Hf       5.68926998       1.89907005       7.96922998      -5.49147158      -2.08154644      -0.64195666 
Hf       1.36202998       8.80756996       2.65760001      -1.58338668       1.69089017      -1.54166693 
Hf       3.81612995      10.50860000       5.59523997      -1.58257311       4.81663909       0.41256464 
Hf       3.80065999       3.40346996      10.64339997      -2.41145008       1.10945475       0.39865961 
Hf       7.26617005      10.90089995       0.05957091      -0.53377966      -0.22604939      -0.24660527 
Hf       8.86446000       1.70741995       2.22028004       3.63778879      -2.14790216       4.24534563 
Hf       5.11843004       5.43737002       8.10912997      -1.05055213       1.61672200      -2.07679283 
Hf       3.48765002       3.49338003       5.22444998      -3.35855502      -6.27168312       2.35460256 
Hf       0.07040127      10.90059998       5.48706002       1.50454465      -0.88408570      -2.24782235 
Hf       8.83274001       1.91017001       8.11658997       5.27527177      -0.26914957       2.60785963 
Hf       5.10487004       9.28855002       2.45875004       1.55172153       0.67150618       3.84246470 
Hf       3.56921003       7.19028997       0.06332019       0.03335665       1.09582801      -0.41494215 
Hf       5.46195002       5.39836000       2.53724001      -2.44599200      -0.15989839      -0.69151527 
Hf       9.36506002       5.70133004       7.48577005      -0.41245359      -2.90171454       0.99770630 
Hf       0.23492698       7.32966001       5.28654996      -1.45902427      -1.31224200      -0.96289194 
Hf       5.73765003       8.89236995       7.82869000      -2.71927943       1.92518911       2.16836309 
Hf       7.21535996       3.81961004       5.45182001      -0.94156541      -5.54330767       1.35870791 
Hf       7.18684997       7.07863996       5.11718004       2.07268582       2.15152305       0.46937742 
Hf       0.13269499      10.75269995      10.20390001      -1.52341036       2.61293700       3.64295388 
Hf       0.05084239       3.20664003       5.18420999      -3.50857037       6.19128248      -0.04051101 
Hf       0.05264240       3.44612000       0.02397243      -0.52266348      -3.82382403      -1.76157687 
Hf       1.38395005       5.34426005       8.15892001       3.97719205      -4.19050378      -1.12692876 
Hf       9.14121005       9.18631002       8.08494005       0.27039300       0.60225173      -1.45417396 
Hf       1.72032005       1.88421001       7.67171996       1.51347405      -1.44786335       1.73934340 
Hf       7.36218995       7.15444997       0.04656566      -3.04161614       2.07462187      -1.39536363 
Hf       8.63752997       9.06740996       2.58260998       6.31033373       2.52148285      -0.47927777 
Hf       1.58755003       4.98817003       2.21211004      -0.16537069       3.86195073       5.43463003 
O       6.53361998       5.58988004       9.70885996       1.91654285       0.40338468      -0.77797288 
O       9.09574004       7.37484005       0.83264205       0.06841382      -1.34588550       0.50256963 
O       6.99591997       9.35960999       1.63565997      -2.34296364      -0.53416999      -1.88567010 
O       4.92279998       7.38236997       6.49671996       1.79287774       0.52018611       0.41951597 
O       8.74660999       7.24367004       3.37458005      -1.74060167      -1.76529888       0.76834870 
O       5.14479995       7.48332004       9.17134005       0.02836103      -0.09312664      -1.44917175 
O       7.10883003       1.52520996       1.64327001      -2.90822894      -1.26825278      -0.88685320 
O       7.21728003       1.82588000       9.58493001      -0.18412922      -0.60559825      -0.42671938 
O       9.28074002       7.34203003       8.47377000      -1.10125508      -3.12417322       3.96788828 
O       3.85472995       9.10927005       4.27568995      -0.51868608      -2.27052743      -0.25064507 
O       7.16320995       1.81394999       4.51864002       1.21786991       0.59850607       0.51000427 
O       7.41529005       9.14058002       4.16203999      -2.47422845      -2.00745165       2.45257287 
O       9.03099002      10.75269995       1.02008996      -1.15817817       1.78154597      -1.59029548 
O       3.67653001       9.89295995       7.81918001       2.13995969      -1.52374746      -2.48325048 
O       7.70104996       8.96620002       9.74227003      -1.15411027      -0.44071091      -0.23383277 
O       9.24243998      10.97854226       8.81758004      -1.24422707       2.04914473       2.23116435 
O       9.07217999      10.80249998       3.59150002      -1.13730402       0.95735769       0.82467005 
O       5.63801999      10.90889997       6.28685996       3.03014025      -1.22507647       1.64952489 
O       1.48940005       3.50664995       6.35909000       2.96852345      -0.54346084       0.15208335 
O       7.28539997       2.22411996       7.03158995       0.41813377       0.21578910      -1.61909798 
O       9.11113004       4.17258001       6.18076005      -0.77304291      -2.76178858      -1.02846231 
O       2.99749995       8.85986000       9.66867997      -1.01247665      -1.57808324       1.78355660 
O       7.27954003       5.28375997       4.27139998      -1.14339594       1.61415120      -4.17780245 
O       9.20014000       3.52266998       3.19335999      -0.63442854      -0.03440372       0.82823516 
O       9.15480003       2.85321995       0.74276003      -0.86298563       2.64885455      -2.94918307 
O       7.37738005       5.17757999       1.29292000       0.07020614       1.48785502       2.53254069 
O       8.74757997       3.82084000       8.94842995      -0.81898034       0.30088816      -0.64989210 
O       5.35093005       7.12284003       0.93663102       2.81968717      -0.07889298       1.96472010 
O       3.61824998       5.49209000       1.56608997      -0.07775741      -0.64267896       1.61296546 
O       3.53446005       8.95565001       1.59757003      -3.38907052      -1.52513928      -1.28679177 
O       1.93701003       7.01323004       3.58847001      -0.43707385       0.76807616       1.26401398 
O      10.73790000       8.91907003       4.13141997       0.98660007      -1.89062812       0.90674302 
O       0.23589695       5.56246997       6.60320999       0.16667617       1.10367427       1.49572414 
O       6.78954000       5.57298000       6.70684998       0.66170953       0.48394616       0.62910421 
O       9.35552996      10.92790000       6.43442998      -4.47756736      -1.17982205      -0.31233188 
O       5.37977998       3.67152999       8.93460995       0.04402608      -2.05775122       1.27935686 
O       5.04652004       3.54903001       6.20119002       7.74841346       0.26397877       1.94162168 
O       1.24390000       7.06950005       8.94142005       2.79031745       2.25434472      -1.12496899 
O       1.15760995       7.21382003       1.19198001       3.79850299      -1.83177017       0.81804597 
O       1.48219998       3.40350005       3.72224998       0.75695283       0.65780436      -1.49306439 
O      10.91789995       1.69979997       6.77067995      -1.39728549       0.16180812       0.30997359 
O       1.89760997      10.68559996       6.53098996      -1.66758165      -0.01125558      -4.13834574 
O       1.36031004      10.91669997       8.62000004      -0.56899772      -0.36438244       2.22838176 
O       0.33891702       1.69649001       1.41640997      -3.07920948      -0.02676354      -0.80542712 
O      10.76739995       1.87027997       9.44960003      -0.74624711      -0.55663423      -0.23655897 
O       1.86732995      10.79390003       0.57725395      -0.08397718      -0.17291473       0.71324105 
O       1.21634000      10.65339997       3.54926003       1.54614284      -0.57215568      -0.04599542 
O      10.88344961       1.59051004       4.40635999      -0.10180652      -3.94612547      -3.03059785 
O      10.64250002       5.52876005       4.17975004       0.36515587       0.27299917      -2.04142465 
O       5.38244003       7.31835004       3.61978001       1.00974750      -2.66012036       0.22726879 
O      10.80200000       9.29598998       1.35493996       1.37397678      -1.03993200       1.46767075 
O       1.80730998       3.45777003       1.22164995       1.78537579      -0.01392537      -3.92564405 
O       3.40765005       4.75776002       7.23940998      -0.87572583       3.67033143       0.29832033 
O       3.40871997       1.30010004       4.37059997      -2.75849448       0.78286790       1.35698356 
O       1.62458001       3.45123997       8.84369005      -0.90187280       2.09508116       2.71390159 
O       3.31545996       5.42596998       9.80825005       0.52451302      -0.71367208      -1.06280169 
O       9.32693001       6.99017997       6.10532001      -2.61977988       0.64952034      -3.74906614 
O       5.49670000       3.38462996       0.94600099       0.42458652       0.97455615       0.35041764 
O       4.74265999       3.22431004       3.69730999       3.19913140       1.64196958      -3.17893606 
O       3.50247996       5.05671000       4.28328997       0.56643524       7.06191489      -1.49846527 
O      10.76599996       8.90265997       9.52189998       0.61213392       2.35660428      -1.21485286 
O       5.83033998      10.63220000       9.01327000       0.31894097       0.91573959      -0.05952419 
O       3.66651997       1.82265000       7.08531001       0.15533747      -0.80085307       0.70042953 
O       3.28300999       1.81657005       9.73784004       1.36198146      -1.96718229      -0.62749682 
O       4.98218004       0.03553410       0.88664597       4.11151775      -1.33939804       2.00397169 
O       5.24019004       0.18614240       3.93762996       1.93232371      -4.97977398      -1.78296977 
O       3.43907996       1.57360000       1.76430005      -0.10082847       1.43892235      -0.92418313 
O      10.76650005       8.76534005       6.96632004       2.28056893       0.86628063      -1.36266541 
O       2.12762996       7.84285005       6.16102996      -0.40217412      -0.71453782       0.79807700 
O      10.64340003       5.02255996       1.22352998       0.87400420       1.28035273       1.83399635 
O      10.69089995       5.33397003       9.47605998       0.52926723      -1.47500855      -1.09743458 
O       7.56828994       8.57773999       6.89077004      -2.25018919       1.43376198      -1.22629932 
108
Lattice="10.98801014 0.0 0.0 0.0 10.98801014 0.0 0.0 0.0 10.66005474" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0071320619285371615 0.0003560867401217792 0.001212206747237539 0.0003560867401217792 -0.011541539896373453 5.025819185889347e-06 0.001212206747237539 5.025819185889347e-06 -0.008884116772901546" pbc="T T T" energy=-1057.35644923 free_energy=-1057.35644923 config_type=crystal 
Hf       1.75695997       1.94519996       2.83737003       1.02584172      -1.05502432      -0.04878395 
Hf       0.06338983       7.11190001      10.06880003      -1.51766950       0.49374258       1.24166111 
Hf       1.72834005       8.87127998       7.79109001      -1.71334573      -0.68392939      -1.11019469 
Hf       7.21132997       3.64568002      10.48610002      -1.17277077      -0.93626729       1.58315586 
Hf       9.27502001       5.32682997       2.28225003      -1.73576995       2.81863994       1.82683284 
Hf       3.36543005       7.58499000       5.15277997       1.02903686      -6.67895232       5.11925389 
Hf       3.58826997      10.51890001       0.22564522       7.35794050       2.93644196      -1.45573305 
Hf       7.51995999       0.35270699       5.06075002      -0.94210056      -3.99321878      -2.02409290 
Hf       5.41851997       1.98673003       2.45109005      -1.98709000      -0.10066341      -0.90586142 
Hf       5.31152004       1.43389005       7.62547998       1.83051586       1.42308435       5.88792881 
Hf       1.75077998       8.89233004       2.20324996      -1.40172373       1.40979640       1.36823249 
Hf       3.92883005      10.72120005       5.19488005      -1.10199411       3.17165915       0.96064778 
Hf       3.36474000       3.21055998      10.15299996       2.58757909       1.05419575       4.38514618 
Hf       6.86958999       0.04708890      10.40949996       3.55172851      -0.64223275       0.22985892 
Hf       8.88792000       2.29001998       2.61816999      -0.01401066      -8.60899750      -5.09060930 
Hf       5.34771004       5.10542002       8.13415999       0.74340241       2.06908705      -1.26335635 
Hf       3.61509995       3.74944002       5.55703004      -2.80018839      -0.87329663      -2.10824200 
Hf       0.12796703      10.69549997       5.24788003      -0.99698559       0.41230289       0.06901213 
Hf       8.98714997       1.85753004       8.03740998       0.26685133      -0.31829298       0.57555345 
Hf       5.66516003       9.13608003       2.83534995       0.63985261      -0.80224214      -3.58169499 
Hf       3.66796997       7.02650999       0.05755481      -0.00182167      -2.56060578       2.85419131 
Hf       5.43383000       5.40804004       2.88943001       0.27928182       3.50279318      -2.98742729 
Hf       9.00122001       5.33495000       7.59544997      -2.21944055       3.52313390      -0.89805640 
Hf      10.81530005       7.23654998       5.09036002      -2.15708817       0.25903833       0.52858701 
Hf       5.35928998       8.65134001       8.37713995      -0.51879116       2.82433769      -4.70253358 
Hf       7.02665997       3.57093001       5.52833999       1.87391999       3.80885920      -1.32158164 
Hf       6.84334997       7.49286004       5.28250005       2.91847246      -4.49273282       3.66244511 
Hf      10.83679996      10.88969997      10.23979999      -0.38221139      -3.36104041       0.45004953 
Hf       0.02888990       3.52183998       5.41932004      -0.88945592       0.08553210      -1.57454965 
Hf       0.36171200       3.28450995       0.21405902      -4.58676433       2.21321655      -0.79881401 
Hf       1.45741000       4.94887000       8.06903996       0.92986024       1.65184252       0.30406887 
Hf       8.95575997       9.05813999       7.75619997      -0.48020371      -1.60217005      -1.25442642 
Hf       1.85786001       1.46185003       7.90436002      -0.39900335       0.04062521      -1.36193542 
Hf       7.25434000       7.27753998      10.57660005       0.69258350      -1.81685467       1.68200640 
Hf       9.25268996       9.10103004       2.40329005      -1.49169983       1.03625534       1.70429705 
Hf       1.70307004       5.44600999       2.87345997      -0.05790040      -4.04685308      -1.57932709 
O       7.05132003       5.31754004       9.53950997      -1.40318965       0.32075848       0.57906761 
O       9.16514002       6.60613004       0.79642601       0.68186458       1.93370931      -2.65752290 
O       7.33912997       8.68401000       1.60418996       2.25008186       0.99839611      -0.94198546 
O       5.01873001       6.79186004       6.60898002      -1.62614612       2.53879498      -1.10058111 
O       9.63571002       7.11035004       3.35277995      -1.31323093      -1.23624442      -1.46492965 
O       5.43410998       6.92533997       9.11113002      -1.23413906      -1.09995617       2.72896983 
O       7.15018004       1.66471002       1.34554995      -0.46131840       0.90377860       1.23926021 
O       7.27938003       1.77341001       9.44119996       0.28520336       0.36875642      -0.81521668 
O       8.84275005       6.89822002       8.88356003       1.36770517       1.87858611      -0.50624053 
O       3.75883004       9.07071005       4.13166005       1.00697925       3.51571371      -1.67775017 
O       7.30616001       2.10265002       4.20847001      -0.11726714       0.98071564      -1.03826353 
O       7.26585005       8.98549001       4.05708998       0.20039044       1.05178073       0.85281736 
O       9.44066998      10.79429998       0.89604604      -0.90921273      -1.30232085      -0.38192147 
O       3.72815998       9.17577004       6.97839004       0.98578479      -1.40320791       0.43141082 
O       7.08301000       9.02041002       9.33975004       1.13928717      -0.80759379       2.44746179 
O       8.81654002      10.74519995       8.73736004       0.90110509       2.10907544       0.97880535 
O       8.71625003       0.10661095       3.34895001      -0.15138689       0.97982323       0.94887214 
O       5.37330002      10.91129998       6.57626004       0.84072532      -2.27553198      -2.87857347 
O       1.58354005       3.33459000       6.72060998      -0.70177928      -0.82787083      -1.78103588 
O       7.22442998       1.55357003       6.86928000      -0.07993038       1.23782794      -0.81294435 
O       9.04689002       3.21480004       6.34278001       0.56059544       0.59458962      -0.55267913 
O       3.78626996       8.76850000       9.83183000      -0.86715837       0.69880721      -1.92904097 
O       7.29026003       5.31040004       4.60968003      -1.24818105       0.20639494      -1.84737351 
O       9.17560995       3.67009999       3.66764002       1.56418200       4.30332480       2.74491429 
O       8.96759999       3.41727005       0.71687099       0.70902167       0.87368738       1.63232676 
O       7.25621005       5.33317005       1.65241999      -1.59251531      -0.73286151       0.64107859 
O       8.81548000       3.84781996       8.77140005      -0.28228663      -3.90395376       0.84660778 
O       5.48560001       7.50803997       1.18975997      -1.30047309      -2.07612007      -2.01327697 
O       3.39557005       5.81631000       1.91900003       2.60637478       0.31233052       0.27121194 
O       3.65122995       9.10512999       1.75377003       0.68596113      -0.63629378      -0.48325654 
O       1.35291996       7.15795999       3.50831996       1.92353913       5.21575007       0.40212378 
O      10.42549995       9.19838996       4.14407997       1.38150386       0.38226711       0.70415967 
O      10.86199997       5.24956997       6.77342000       0.16275463      -0.73354669       1.33490158 
O       6.94048002       5.62090999       6.87039004       2.12358037      -2.63893744       2.54509676 
O       8.80514996      10.41610003       6.14930001       2.77679361       0.32614939       0.31541343 
O       5.14345997       3.30817999       9.35982995       1.81764564       1.12366570      -4.02991582 
O       5.29928995       3.70588003       6.60248996       2.57020665      -2.39455046      -0.75453804 
O       1.61731005       7.04462998       8.68757002      -0.59507929      -0.33751468      -0.19860793 
O       1.66374000       7.13344003       0.63445800       0.44798282       1.10599985       0.59510577 
O       1.95754005       3.69047001       3.92705000      -0.68835171      -0.65462584       0.75068461 
O       0.06146264       1.20252003       6.85059996      -0.35703959       0.14119414       0.16091270 
O       1.88591998       9.88086000       6.03262998      -1.32977132       3.44381994      -3.29155406 
O       1.37853004      10.71450000       8.60397003       1.66639891      -0.02910033       0.16198189 
O      10.78077616       2.09475997       1.59468002       1.49112221      -2.49073607       1.97240213 
O      10.68770002       1.62990000       9.43650997      -1.55479905       1.33585837      -0.00661228 
O       1.88151005      10.25399996       0.54246695      -8.55177149      -0.12978841       0.34008051 
O       1.72737002      10.92060002       3.07527996      -0.45379092      -2.11798001       1.20487282 
O       0.01654421       1.49378998       4.26833996       0.61533910       2.08479445       0.35087687 
O       0.21356000       5.29325995       4.44688000      -0.44433979      -1.08317124      -0.01503053 
O       5.44388996       7.27247000       3.85250999      -0.87025431       0.34675494      -0.68659526 
O      10.91580001       8.61795997       1.53774999      -0.06313186       0.40334219      -2.03153987 
O       2.05377996       3.40928001       1.10437997       1.05712656      -0.47182108       0.62720663 
O       3.32127001       4.68319002       7.35206003       1.20694039       1.10245850       1.00690551 
O       3.54073002       1.87750997       4.23535999       0.39222227      -1.50237783       0.91724062 
O       1.55843003       2.89278003       9.22190004       1.21069876       2.62029663      -0.79795290 
O       2.97229004       5.26435005       9.90966001       1.33998926      -0.89814940      -1.20040684 
O       8.99526000       6.95998000       5.93734998      -0.90938445       0.31347678       0.57049000 
O       5.19178996       3.54463999       0.95570599       0.47922813      -0.32687161       2.04763295 
O       5.46461006       3.73948005       3.65035005      -0.46409844      -4.22457756       2.17441306 
O       3.78517995       5.51674003       4.62115995      -1.02123869       0.56663424      -0.55412176 
O      10.84070004       9.02930998       9.08940004      -0.77022635      -1.32421734       3.49499569 
O       5.25954005      10.73419996       9.33924997       0.40757939       0.33117129      -2.80122479 
O       3.74414995       1.76242002       6.63307995      -3.86275553      -0.74381526       0.76541015 
O       3.52848004       1.31991999       9.54479001      -1.60307509      -0.58673245      -1.57704058 
O       5.51023996      10.77080003       1.07722998      -0.79569777      -0.49129806       2.73576940 
O       5.75259998       0.11488986       3.81932002      -2.03394167      -1.00124629       0.32777436 
O       3.48580997       1.55007002       1.77905995       1.38516754      -1.21192421      -1.25833357 
O      10.76054009       8.60806000       6.88198999       0.58294908       0.92551850      -1.77372135 
O       1.67945999       7.20156998       6.09980996       1.32309283       0.34729833       0.09968358 
O       0.07438224       4.63337005       1.84845999       1.10786673       1.49391843      -0.77097664 
O       0.07735735       5.06738997       9.53637997      -0.08896206       0.49605218       1.12809331 
O       7.00730998       8.76291996       6.82050002      -0.66790292      -0.37954468       1.18802375 
108
Lattice="10.99220128 0.0 0.0 0.0 10.99220128 0.0 0.0 0.0 10.6641208" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0023351198122788137 -0.0013398595149441842 0.0018440054059238463 -0.0013398595149441842 -0.005179851279976936 -0.012818633166513873 0.0018440054059238463 -0.012818633166513873 0.005875659560741483" pbc="T T T" energy=-1057.97315771 free_energy=-1057.97315771 config_type=crystal 
Hf       1.91365002       1.69019000       2.70578999       1.20148572      -4.86326908       0.03830721 
Hf       0.09799866       7.36048999      10.61641624      -1.48590276      -1.04811219       1.55506538 
Hf       1.75521997       8.97797998       7.77175999      -0.24728801       1.05299953      -1.62585952 
Hf       7.00040999       3.49651997      10.36040003       0.73649829      -2.33148521       1.71588735 
Hf       9.29786997       5.47591995       2.78665004       1.76488587      -1.83039781      -0.92951464 
Hf       3.53701996       7.05051002       5.08634999      -4.37193275       0.83369916       1.31599218 
Hf       3.32027002      10.80730003      10.44129997       1.45157618       5.43078289       7.33382159 
Hf       7.41822004      10.97839420       4.89059001       1.20499537       0.06684586       2.10964860 
Hf       5.37592005       1.50071995       2.28332999      -2.61119994       0.96746276       1.45437570 
Hf       5.40058995       1.53277002       7.80860005      -2.67889371       0.60388477       0.36896322 
Hf       2.04277002       8.67638003       2.55899996      -1.37470076       5.26102276      -0.06507674 
Hf       3.72667995      10.69750003       5.16958004      -1.19017502       1.19083148       0.24491280 
Hf       3.47456997       3.53215998      10.56299998       1.73730891      -4.12737767      -2.36876915 
Hf       7.41599994      10.91210001      10.57810006      -2.08346120      -1.77188355       1.17002955 
Hf       9.04072996       1.87681999       2.49263000       2.26305821      -1.15678486      -1.53191200 
Hf       5.43508997       5.21774996       7.82787001      -3.84708751      -1.00711411       0.94576477 
Hf       3.37597004       3.54642995       5.36345003       0.43161722      -1.51977839       0.10665381 
Hf      10.94557423      10.82669995       5.41164002       0.27629247      -0.12836210      -1.32457554 
Hf       8.63632995       2.01176003       8.00261005       4.14434203      -4.15508860      -2.74733553 
Hf       5.56500998       9.18708001       2.57441005      -0.02527598       0.60089422      -0.37850299 
Hf       3.66994997       7.52077002      10.31749998       0.12664263      -0.89223672       1.47820228 
Hf       5.54680997       5.27671004       2.67672002      -0.96434968       1.09666924      -2.31738319 
Hf       9.01978003       5.74425002       8.07884999       2.79412891      -0.60160469       2.32946122 
Hf      10.79769999       7.15847004       5.43283005       1.33627776       0.26475791      -0.05510980 
Hf       5.13070998       9.27483999       7.77886997       5.02717456      -0.27573722       1.88549096 
Hf       7.14016000       3.44984005       5.02121002      -0.67673646      -3.76436289       1.02754578 
Hf       7.09682995       7.26337004       5.49991004       3.23536483       1.00439460      -1.16912874 
Hf      10.91286430      10.62839998      10.53939996       1.30871217       3.63631235       1.94790165 
Hf      10.92629996       3.37212002       5.31169001       0.34816001       2.60165375      -1.57410976 
Hf      10.62829995       3.61638003       0.11788098       1.23222438      -2.07636144      -1.60674317 
Hf       1.84868996       5.29476001       8.07212999      -1.37042178      -0.09453335      -1.39188568 
Hf       8.92165001       9.04453996       8.01051004       0.73659416       0.63010637      -0.90953608 
Hf       1.47728997       1.47528004       7.96025995       1.66700305       0.20477699       1.14491786 
Hf       7.22649000       6.86395005       0.04230947       0.41812575       3.70244235       1.58957392 
Hf       9.12960003       8.92473002       2.79127998       2.57805931      -0.25213159       0.34718118 
Hf       2.01512002       5.17964000       2.16684004      -0.90298430      -0.26326244       1.25314430 
O       6.90847001       5.23885004       9.45877997       0.42532938       1.24255147       1.64482970 
O       9.05584995       7.34657001       1.09913003       0.96497310       0.17885307       1.55774970 
O       7.53133001       9.59232004       2.03258004      -3.49724531       0.48525010      -1.47884671 
O       5.28183999       6.91307002       5.70969003       2.22712352      -0.20134647       3.20106435 
O       9.05618004       7.06194004       3.87197995      -0.94450952       2.27949901       0.73786441 
O       4.95678005       7.61042000       8.81876998       0.89935442      -2.69203653      -0.22191428 
O       7.15884003       1.71507997       1.67166001       3.57354545      -1.25455933      -3.14528265 
O       7.04231995       1.60586003       9.30118004       0.02924226       0.72236125      -0.12511012 
O       8.90298998       7.39265998       9.38784000      -1.31733208      -1.97341016      -2.05572929 
O       3.61947005       9.01851999       4.06063998       1.86909518      -1.16836835      -0.93244809 
O       7.71712998       1.74800997       3.96540000      -1.28725792       1.59151179       2.83196725 
O       7.24158998       9.06771999       4.34712999       0.46980309      -0.85088862       0.76795013 
O       9.18318998       0.20509876       0.71456104       0.83294164       0.74520197       1.60724159 
O       3.68166997       9.02682999       6.64208003      -3.77456124      -1.07338961      -1.79548873 
O       7.01584996       9.01050998      10.26349996       0.87385151      -2.70177751       0.64962470 
O       8.81271004      10.70600228       9.04355003      -0.30030267       1.82788919      -0.94367688 
O       9.20840005       0.03929877       3.42205003       0.21730134      -2.09614490       1.40166771 
O       5.60145001       0.07429871       6.44240002      -1.20862614      -1.50555409      -1.43178013 
O       1.72216005       3.99001001       6.37791003      -0.17647482      -1.49800167      -2.31048911 
O       7.22575000       1.86609995       6.56031000      -0.06761124       0.20403091       1.05351324 
O       9.29306000       3.34548998       6.30244005      -3.02907920       0.33291354       1.58772888 
O       3.13444005       9.38202000       9.39502004       0.57664920      -6.63131474      -4.33004851 
O       7.62424995       5.24378005       4.69748997      -0.90129697       1.71898224      -1.09485505 
O       9.79753004       3.51183002       3.48170001      -2.19308226       1.33190542       0.99298187 
O       8.92486996       3.63930998       1.11112002      -0.48511429      -0.02318150       0.43145273 
O       7.38324000       5.54213004       1.63442997      -0.75997349      -0.80279052       0.92645726 
O       9.04194998       3.26845004       9.36967004      -0.77925735       2.63192918      -1.08005009 
O       5.22726998       6.78250004       1.05713003       0.41231278       0.58840451      -2.25168618 
O       3.78322999       4.65390995       1.43124999       0.65764930       2.01519926       2.93633169 
O       3.55875001       8.96240997       1.23644999       2.26086307       0.19919000       0.30767729 
O       1.77917000       7.44364995       4.00931005      -0.41960394      -2.55183393      -0.36532761 
O      10.57660000       8.95471004       4.37316996       0.13645269       0.01782676       0.64738481 
O      10.83999996       5.43108001       7.25684004      -0.39279896       0.74289241      -0.14203080 
O       7.17219996       5.86072998       7.36078003      -0.56195536       0.15813829      -3.35653948 
O       9.01272996      10.60609999       6.29298001      -1.07809648       0.14930374      -1.38616499 
O       5.31017998       3.35935005       8.82635004       0.66497240       1.32587016       0.05448512 
O       5.47492999       3.52260996       6.33184998      -0.69641317       1.92181927      -1.20805051 
O       1.72097003       7.48287001       9.05621996       0.19574743      -3.66651810       2.22077939 
O       2.09168004       7.14931002       1.10925998      -1.21213852      -2.11581536      -0.54030109 
O       2.03461996       3.55318004       3.54296005       0.60457451       1.69248127       0.85835868 
O      10.75420001       1.30450004       6.99576999      -0.39694194       0.83979617       0.23575864 
O       2.02070999      10.89159999       6.36540006      -2.70363467      -1.16472221       0.14173145 
O       1.36802001      10.78589998       9.02747003      -0.01033958      -0.76125325      -0.79833244 
O       0.18859869       2.01742003       2.05398997      -3.26326450       1.67550796      -3.21021999 
O      10.96981566       1.64597002       9.80730999      -0.32147646       0.85083061       0.33519679 
O       1.81117995       0.22751405       1.12952000      -0.66879715      -1.32382614      -3.20340229 
O       1.70798000      10.73990003       3.49965999      -0.06448221      -1.52421646       1.59993122 
O       0.21319869       1.69606005       4.45486000       0.87135970      -1.77822436       1.25334633 
O      10.94599996       5.50706998       4.25180000      -0.14930269      -0.29169869       2.09011641 
O       5.72811996       7.31497997       3.36964004       0.20807710      -1.42360229       0.37112680 
O       0.25994698       9.20050995       1.58072002      -1.51349411      -1.85886497      -0.98284435 
O       1.60975995       4.11799001       0.24484096       0.72497996       0.58026143       3.44423744 
O       3.46427995       5.56350998       6.81189005       2.41692885      -1.41610326       0.62037093 
O       3.57425000       1.32332000       4.16830996      -0.49118544       4.35313322      -0.27719526 
O       1.60097004       3.32821002       8.70992002       0.98432348       1.91587592      -0.23169180 
O       3.79490998       5.28370999       9.60740998      -0.93149257       1.92961189      -1.87123068 
O       8.97038998       7.26224004       6.84843002       0.99265287       0.49823743      -3.57379155 
O       5.51874996       3.10891000       0.79866800      -0.24780341       1.83636215      -1.15032010 
O       5.70124996       3.20808999       3.32663004       0.99093580       4.16393910       3.10149906 
O       3.94777995       5.25469003       4.13671004      -0.36267216       0.44094780      -0.27001263 
O      10.66570004       8.95261999       9.50513999       0.28128654      -0.32951250       0.12453541 
O       5.47363005      10.40470000       9.24714004      -0.58976048       3.98146023      -0.47128959 
O       3.48093995       1.72694000       6.83454000       0.76596276       1.87147616      -0.11375695 
O       3.53983001       1.37884997       9.41484997       0.55585867       2.83021239      -1.80751308 
O       5.11545005      10.97749998       1.11412005       1.56509166      -3.43658821      -1.25298710 
O       5.43494003      10.94484303       3.75243996       2.14364700      -1.56789695      -0.02442852 
O       3.65961005       1.82480995       1.36019005      -3.30809986       2.14744745       0.68189279 
O      10.89523512       8.98334000       6.92216996       0.11062197       0.63504311       0.41733809 
O       1.71946003       7.10829998       6.56200997      -0.32867672       0.98180753      -1.20240095 
O       0.15769874       5.58421995       1.73809002      -2.55757118      -0.13888306      -0.56352850 
O      10.60470002       5.55404999       9.86098997      -0.24192593      -0.69588061      -0.65994038 
O       7.01069000       9.01280998       7.09370000       0.54002540      -2.10740405      -0.34088419 
108
Lattice="10.99645144 0.0 0.0 0.0 10.99645144 0.0 0.0 0.0 10.6682441" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0038559339150232097 -0.0015288473182044826 -0.00215975278572733 -0.0015288473182044826 -0.0035845010502852047 -0.006789233682968494 -0.00215975278572733 -0.006789233682968494 -0.016802357237342608" pbc="T T T" energy=-1060.70565597 free_energy=-1060.70565597 config_type=crystal 
Hf       1.64803004       1.64668001       2.61680005       1.00572161       1.47731476      -0.65679393 
Hf      10.93009995       7.10111995      10.55860005      -0.33591937      -0.40922065       1.08395167 
Hf       1.51152999       8.89544996       7.97459002       4.48196606       0.41668307       1.65395245 
Hf       6.90778001       3.57241003      10.55430000       2.34528782      -3.26455372      -0.99531239 
Hf       8.99467996       5.48073004       2.50909004       1.74427964      -2.98010822       0.74473989 
Hf       3.56579995       7.07266003       5.20537000      -2.23629829       0.49913140       1.89880092 
Hf       3.42739004       0.03893525      10.63549995       4.47092793      -4.31958799       1.20504837 
Hf       7.41115995       0.12654859       5.37365995      -1.92404801      -1.64008275       0.05153434 
Hf       5.41761997       1.91112003       2.73864004      -1.19508490      -3.08123153      -1.41460835 
Hf       5.48711996       1.70749005       7.79564004      -0.11180453      -2.40396723       0.11792592 
Hf       1.83567998       9.03023996       2.47820995       1.12058626      -4.10918369      -3.10672602 
Hf       3.47800000      10.59470005       4.95829997       3.90587924       2.49152265      -2.00944553 
Hf       3.47408999       3.50654997      10.55439996      -2.04107906      -1.22335327       2.16959838 
Hf       7.39739998      10.81360003      10.44160003      -1.89041889       1.89369618      -0.01015320 
Hf       8.77167995       1.76848000       2.57163998       2.88132322      -3.12265072      -3.32415318 
Hf       5.38364995       5.16844995       7.91114000       0.64339866       1.35972632      -1.73755058 
Hf       3.71685997       3.59178996       5.49935000      -3.80100261      -0.22272888      -2.34039453 
Hf       0.03251035      10.60949995       5.41287001      -2.15488116       2.67417133      -3.08693299 
Hf       9.35711003       1.89716004       7.81780001       0.97299530      -1.76021105       0.22110961 
Hf       5.46728995       9.10206999       2.37071001       0.28652961       1.05259133      -0.88461076 
Hf       3.41141000       6.94759002       0.08603512       3.41996797       3.39923839      -0.36593858 
Hf       5.48327000       5.31059998       2.62737004      -1.77306151       1.13449445       2.88258132 
Hf       9.10951997       5.24126999       7.99431998       0.02695525      -1.56492810       0.22370530 
Hf      10.58440000       7.21578995       5.35642999       2.62230778      -3.51382531      -0.49647868 
Hf       5.34507000       8.82183004       7.50121998      -0.66275236       2.48722628       2.34121881 
Hf       7.46378995       3.73149998       5.40280004      -0.16565871      -4.11251400       1.28206188 
Hf       7.24353004       7.21717001       5.15787999      -0.77176129       1.61322708      -4.19067284 
Hf       0.08792191      10.75539999      10.54049998      -3.21015235       2.59596649      -0.28141819 
Hf       0.10718901       3.45680005       5.12461000       1.61436335      -1.54275577      -0.21838981 
Hf      10.81910001       3.63280001       0.28024400       0.69249067      -2.38099280      -1.11542286 
Hf       1.60026003       5.42241003       7.82323004       0.39167047      -1.56473519      -2.77527666 
Hf       8.96840999       8.78137003       8.03015002      -1.55901968       4.38636559      -0.34691984 
Hf       1.89680001       1.94353999       8.28706001      -7.56067694      -1.80673675      -1.43444557 
Hf       7.21397004       7.19320005      10.31199996      -2.30196705       0.49966782       1.87223414 
Hf       9.19720997       9.11120001       2.63651998       1.53199222       2.11405776       1.68244281 
Hf       1.88746996       5.38853997       2.70700997      -0.39746418      -4.91946660      -0.65946630 
O       6.58669000       5.33608997       9.84170002       1.03373504       2.04618038      -1.36708176 
O       9.09456997       6.54637998       0.86426497      -0.61787961       1.17961408      -0.76514246 
O       7.73879999       9.13088003       1.43467998      -2.87446402      -0.99074241      -1.62474985 
O       5.53609002       7.39422002       5.88608004      -1.37773777       0.39240024       2.89623770 
O       9.30810005       7.12367004       3.57078996      -1.88643429      -0.43015670      -0.65321634 
O       5.60135000       7.01685997       8.53499001       0.30311039       3.31629255       0.70045110 
O       7.24911998       1.28001004       1.47870995      -3.34474549       1.16342266      -0.55321383 
O       6.49373997       1.63534003       9.55080005       1.60636558      -1.47565907       1.00394091 
O       8.90420996       7.05519997       9.07895001      -0.49762471       0.12477349      -0.72271894 
O       3.68278999       8.76720000       4.19122997       0.17624564       2.26860481      -0.47659007 
O       7.21029997       1.53907995       3.95939003       0.25150096       0.06045782       0.83518693 
O       7.23224999       9.43885996       4.16033996       0.91998270      -2.13495442      -0.42344862 
O       9.14914998       0.23011097       0.44305602       2.54177590      -1.15258563       1.36248073 
O       3.38778995       8.32736998       7.03989000       0.72208624       0.66199058      -0.69920983 
O       7.06979996       9.04160996       9.41163995       1.19083865      -2.01231396      -0.63233676 
O       8.83512002      10.93079999       8.72803999      -0.15778684      -1.67936045      -1.17239968 
O       9.64097000       0.08314857       3.27135998      -0.62444850      -1.36229107       0.35447680 
O       5.29816002       0.00160031       6.04908003      -0.95219425       0.01440780      -1.59661532 
O       1.77645001       3.93537001       6.21337003      -0.15357377       0.32213228       0.57398115 
O       7.44568001       1.73844000       6.74290998      -1.93717458       1.32935149       0.81633748 
O       9.50018002       3.50969001       6.35268002      -4.29058712       2.07920049       0.16602925 
O       2.80422004       9.12038997       9.42316005       1.06515325      -0.46824558       3.02035783 
O       7.40560003       5.28303000       4.31790000       0.83654862       3.39363738      -1.86189779 
O       9.20585999       3.27133995       3.63612005      -0.17357171       3.45629188       1.88852701 
O       8.95649995       3.36253000       0.77894803      -1.82644465       0.79151177       1.84337672 
O       6.94260995       5.08486999       1.46823000       3.10532945       0.34320597       1.31035730 
O       8.57656002       3.48619004       8.94070002      -0.04618389       0.21957651      -1.09060807 
O       5.32858995       7.49900004       0.90648401       0.30026062      -1.45739636      -1.30416710 
O       3.74758999       5.20498995       1.61587999      -0.85513167       1.34771431      -0.95960381 
O       3.53697001       9.39162998       1.56644004      -0.55814017      -2.39541876       0.74498442 
O       2.06852005       7.09164001       3.33520995      -0.24263295       4.81868847       3.09864722 
O      10.15329996       8.96171997       4.49441005       2.03530035       2.11665488       0.67155096 
O      10.60759998       5.78988999       6.88023002       1.08507292      -0.86731118       1.50824288 
O       7.35051001       5.13683999       6.95981000      -1.54489114       0.30779448      -0.43343575 
O       9.22062999       0.33433897       6.10033998       2.79258390      -1.16093970       0.08175470 
O       5.51571997       3.54791005       8.80632997      -1.84139834      -2.01675464       2.65742869 
O       5.43684001       3.44911001       6.38944001       2.19199286       0.37631604      -0.10498925 
O       1.27204003       6.93464005       9.02662003       0.31307823       2.28188155      -0.35889313 
O       1.75750004       6.97405001       0.96573298      -2.17002031       0.04198622      -0.17317179 
O       2.13582999       3.61548995       3.58034999      -1.13790708      -1.07841194       0.16959139 
O       0.15477296       2.12791001       6.75240995       1.14808697      -2.63001625       2.78320420 
O       1.88568997      10.30800001       5.95300001       0.03278075       0.01318988       2.86956730 
O       0.91971098      10.81889999       8.68450001       2.11123010      -0.47412634      -0.93378134 
O      10.90639996       1.78344001       1.54198000       0.02032660       0.14676025       0.80966926 
O      10.80016148       1.75328005       9.36991005       0.24592951       1.71040026       1.67352927 
O       1.72021998      10.73149997       1.09782003      -1.66322537       1.37401268      -1.93024627 
O       1.65459998      10.51579996       3.47780000      -0.06035651       3.77681454       3.73102890 
O       0.73891799       1.63070997       4.44452000      -0.78835321      -0.86674247      -0.54372863 
O      10.98449995       5.22643996       4.25196001      -0.50664749       2.83336047       0.00025183 
O       5.67049998       7.22226004       3.56484999       0.72681219      -1.59139017      -2.17508457 
O      10.95031209       8.83159995       1.49368998      -0.79952737      -0.29794725       0.54708255 
O       1.66763001       3.34623997       1.01194003       2.47330972       0.57621767      -0.67791156 
O       3.69148005       5.34711996       6.79834005       0.32305790       0.32276284       1.56163275 
O       3.70286995       1.76173005       3.92866997      -0.27345404      -0.76653937       2.50130204 
O       1.94509995       3.69493997       9.11117995      -1.30575592       1.16470126      -0.87116869 
O       3.40973997       5.43374000       9.64561001       1.32355266      -0.80478914      -1.39027927 
O       8.77263005       7.23627997       6.32203004       1.07661369       1.52852338       1.98208662 
O       5.20026004       3.32122997       0.90571504       1.52734222      -0.08536886       1.34767507 
O       5.82512999       3.45830997       3.95292998      -1.37705964       2.28061864      -1.67726069 
O       3.66612003       5.38665001       4.32425998       1.67539279      -2.21653435      -1.36830494 
O      10.63259998       8.91806999       9.71119998      -0.71572745      -1.11975780      -1.80210116 
O       4.68797001      10.89809995       8.40140001       0.60876366      -1.40385310       0.50612922 
O       3.40197999       2.20841998       7.31982003       4.40897624       0.67576063      -5.19996329 
O       3.31014005       1.65847997       9.56252999       0.61950476       1.06644317       1.61316540 
O       5.36284005      10.25860000       0.52917499       1.09585024       1.19833726      -0.82723033 
O       5.12019004      10.90760000       3.07662004       0.02154370      -0.01746536       1.10503732 
O       3.52930999       1.64670002       1.31051996       0.06143668      -0.66176047       1.01349519 
O       0.02574852       8.81784999       6.73820998      -4.48777486       0.19737927       0.03818461 
O       1.61825000       6.70284002       6.13268002       0.46049648       1.58215870      -0.62292316 
O       0.12054860       5.10114001       1.81843005      -3.50588895       0.46310587      -2.10466621 
O      10.62910002       5.13453997       9.45140999       0.57087040       0.12199918       1.21925738 
O       7.17763996       9.52566001       6.89433003       1.52631298      -2.02004796       0.11210518 
108
Lattice="11.00143188 0.0 0.0 0.0 11.00143188 0.0 0.0 0.0 10.67307589" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014177196324746172 0.0018250255384078564 -0.0005932172069302985 0.0018250255384078564 -0.005317170366489473 -0.016237015633776 -0.0005932172069302985 -0.016237015633776 -0.01321278360648514" pbc="T T T" energy=-1060.00841606 free_energy=-1060.00841606 config_type=crystal 
Hf       1.79997001       1.61119996       2.64330998      -2.00719241       3.00609600       0.75409976 
Hf      10.82569996       7.38119003      10.43239995      -0.82907002       0.99721740       1.05015779 
Hf       2.04071996       8.98944997       7.94337995       1.05163765      -1.55857238      -0.25115851 
Hf       7.08959004       3.56465997      10.32819999       0.31068235      -3.39573894       3.51167774 
Hf       8.93166000       5.24148997       2.51639996      -0.20104528       0.48529224       1.23640763 
Hf       3.87529002       7.13692997       5.16702004      -1.73349959       2.83243698       4.06797091 
Hf       3.61846996      10.80190001      10.65070000      -1.74421692      -2.01638574      -1.15719641 
Hf       7.36649003      10.76089998       5.28224998       3.27140474       1.92107666      -3.30274409 
Hf       5.32727001       1.82626002       2.19686995       1.65817478       2.15067084       1.59263134 
Hf       5.40907005       1.58507002       8.33625000      -1.93737150       1.33717883      -2.47762339 
Hf       1.48982997       9.01050000       2.50768998       0.69281706       2.51294286       1.23992237 
Hf       3.69856995      10.81390004       4.88243998      -0.94301827       2.87920002       4.64246709 
Hf       3.44121005       3.52624000      10.38620005      -2.25698250       2.45477926       1.34863980 
Hf       7.01244998      10.55890005      10.43220004       2.59190558      -0.16076834       1.00511250 
Hf       9.02991005       2.04149996       2.75730004      -0.01848045      -2.81484952      -0.36718248 
Hf       5.41580997       5.40594003       7.72349996      -0.89354480       0.78535349       1.36109300 
Hf       3.44725995       3.37294000       5.21788002       3.53948760       0.00403328      -0.98256406 
Hf       0.27538399      10.68359996       5.38670001      -1.01791983      -0.80530869      -2.48294708 
Hf       9.37260003       1.66980998       7.63716001      -3.55872381       0.47065164       1.55497193 
Hf       5.35583995       9.31749001       2.88855998       2.45087421      -0.15549926      -4.21200136 
Hf       3.63341001       7.06333996       0.40413805      -0.17043976       3.05460031      -3.99312770 
Hf       5.19297003       5.44108004       2.84124997       0.07794919      -1.37918444      -1.68995129 
Hf       9.06083001       5.46522004       8.04530003       2.28276089       1.14893584      -0.53789569 
Hf       0.18847004       7.30951999       5.41162005      -1.26527177       1.25035660       0.12894217 
Hf       5.57628004       8.93027998       7.56091999       2.11871737       0.66770141       2.41189192 
Hf       7.17564995       3.42988000       5.70039997      -1.47282867       1.04375054      -0.95477244 
Hf       7.30768000       7.10820996       4.93580002       3.31993819       0.23212430       0.10490069 
Hf      10.89780004      10.88933389       0.13089802      -5.29780973       0.93334710      -0.96215668 
Hf      10.97529996       3.62033998       5.22112005       2.17908542       1.30294912      -3.89771551 
Hf      10.75120002       3.16067001      10.36569995       0.37248558       4.51490199       3.52372025 
Hf       1.55257003       5.37583000       8.08984999       1.78798822       1.67688648       0.76034091 
Hf       8.99940000       9.29361998       7.68189002       4.99276872      -0.80796337       4.57979728 
Hf       1.70858002       1.56639003       7.97454000       3.09833565       0.63222883      -2.10840432 
Hf       7.11912998       6.64584002       0.24556496      -1.30775301       4.83497075      -1.71552957 
Hf       8.85844998       9.16118001       2.29039000       0.78439860       0.54135306       1.60324897 
Hf       1.38753997       5.80505999       2.64962001      -0.48036218      -2.08869432       0.32519406 
O       7.80459004       5.28237998       9.63944997      -0.96330058       2.65428569       0.50024653 
O       8.86504996       7.71916997       0.63384996      -1.80850441      -1.41176437      -0.31647536 
O       7.01837997       9.52079999       1.65879996      -0.93115810      -1.41762309      -1.15618972 
O       5.73022000       6.90031997       6.22745001      -0.95787770       0.95528250      -0.15764996 
O       8.62635002       7.24815005       3.32237996      -0.31667740       0.19591193      -0.81900250 
O       5.36887995       6.96530004       9.28355999       1.10876562      -1.62668428      -0.29058591 
O       7.31776997       2.19937997       1.68609005      -0.85801726      -0.33508330       0.17306417 
O       6.66656001       1.58403996       9.88195997       1.09585886      -0.63328380       0.77665259 
O       9.67365003       7.30303003       8.83960998      -2.73745030      -1.24054123      -2.93521369 
O       4.11618002       9.05498000       4.33916995      -2.40473570      -0.08088915       0.79838821 
O       7.56108996       1.95822000       4.53359999       0.67872501      -1.68742557      -0.83864121 
O       6.91466001       9.06175996       4.33091999       0.65331350      -1.32563326      -1.37411372 
O       8.92112998      10.66899996       0.69832196      -1.27796542       0.57482538       0.04193674 
O       3.88631005       8.41134002       6.93883997      -1.89684054       0.65084022       0.74451301 
O       6.96833996       8.89297006       9.14704996       1.28932275       2.10316082       1.78911322 
O       9.08961999       0.19996104       8.80136002      -2.00489538      -1.55691601       1.01566330 
O       9.01937002      10.79739998       3.60566004      -1.23435839       0.18626860      -0.43578449 
O       5.67611001      10.37980004       5.98403002      -3.80559739       0.77951067       1.99233772 
O       1.73295996       2.82839003       5.82788004      -1.78464339      -0.41982098       4.10549701 
O       7.21648000       1.82891995       7.43318003       0.52180233       0.71857408      -2.74525466 
O       9.23869995       3.24772005       5.93097000      -0.73303268      -0.79968437       2.98809994 
O       3.48336005       8.78538001       9.82946999      -0.99956036       1.46807397      -0.64726079 
O       7.32196998       5.03910004       3.91173002      -0.16577519       1.15236838       3.63221330 
O       9.84132000       3.72349997       3.40139999      -0.03889810      -0.91013098       2.00044275 
O       9.18654998       3.58094000       1.16575999       0.53996404       0.04916339      -2.62230143 
O       7.06763998       5.24239000       1.62732996       0.12308464      -0.51507865      -2.31463423 
O       8.94689005       3.44178003       9.10038001       1.51015943      -2.69644009      -1.70562049 
O       5.36175003       7.00235000       1.34514995       2.29730873       0.59785050      -1.56271948 
O       3.44524999       5.60412995       1.65859002      -1.78609743      -1.88432470       3.91866644 
O       3.62844001       9.07082998       1.70058003       0.30123547       0.52797943       0.72285740 
O       1.66547003       7.48613995       3.88901003       3.18025480      -2.83427158      -2.14102711 
O       0.09546812       8.96061995       4.11398001      -1.48090205       1.78297132       1.29294724 
O      10.93200613       5.24275998       6.56521999       1.06351067      -0.42285903       4.27928935 
O       7.30520996       5.14053005       6.98061002       2.66800064      -0.13113448       0.48188860 
O       9.20698998      10.80594887       6.40960003      -2.46196912       1.09887776      -2.70854502 
O       5.52824999       3.86990999       9.11293998      -0.40423928      -0.58604409      -2.44005033 
O       5.28943003       3.99987002       6.16602005       1.08162113      -1.18887161      -0.59174404 
O       1.36063003       7.31009999       9.00832996      -0.02615479      -0.58607528      -0.66016089 
O       1.51203999       7.54969005       1.21889003       1.52321424      -3.45833576      -1.65872097 
O       1.72789996       3.62818004       3.56671996       0.40840852       0.13909931      -0.92756110 
O       0.01512125       0.96813701       6.99063001       3.76979984       1.23310964      -0.67410956 
O       2.14985999      10.38250001       6.21626996       0.28715136       0.86380667      -1.15292889 
O       2.47818001      10.91379997       8.63689999      -1.81422885      -1.56777924       0.91246260 
O      10.89405086       1.61952002       1.68219000      -0.34213664      -0.24443287      -1.77820387 
O       0.16781100       1.59072003       9.28414999      -0.52593309      -0.70151020       1.58644666 
O       1.56021999      10.57879999       0.78777205       5.94161305       0.35170010       1.18256327 
O       1.94123995      10.86070002       3.48505001       1.25500602      -3.08530365       0.97168064 
O       0.21099602       1.31148003       4.21863998      -0.86232886       2.10770759       0.59524352 
O       0.10016815       5.58701997       4.39927997       0.80833687      -0.41116572      -3.21949630 
O       5.21791995       7.26501997       3.63550004       1.91489026      -1.08084552       1.09667381 
O      10.77499997       9.22166996       1.59284995      -1.20407346       0.20011040      -0.52553678 
O       1.58646005       3.66289000       0.78107501      -0.42996517      -1.13869112      -0.93314774 
O       3.58987999       5.30630997       7.11898997      -3.79582570       0.43618931       0.46032524 
O       3.56628995       1.55667995       4.08920001      -0.21095426       2.80018668      -0.93532427 
O       1.88801997       3.44350000       8.79709997      -0.71768231       0.51286526      -1.27210957 
O       3.10095996       5.50492003       9.87091003      -0.52216219      -0.80494973      -1.23052519 
O       9.14206998       7.19361001       5.98465002      -0.72584516      -0.93112316       0.29554468 
O       5.16857996       3.52562997       0.64291695       0.49390858      -0.66763463       2.69928927 
O       5.26968004       3.61487997       3.50514998      -1.30394109      -2.39835073      -0.35440768 
O       3.56803004       5.42039999       4.55839002      -0.16839508      -2.66593597      -2.33561975 
O      10.61326891       9.38845001       9.69308996       1.41759027      -2.21917376      -1.57535503 
O       4.98233001      10.71140003       8.60492996       1.55589010      -1.12627008       1.18720467 
O       4.09822997       1.85284003       6.71698995      -1.11944118      -0.39531415       0.18597561 
O       3.60023002       1.71484005       9.56268003       0.76983081       0.16677827       0.15547297 
O       5.40150998       0.10976811       0.94057602       0.02901691      -1.08213685      -1.92203877 
O       5.86031996       0.37568702       3.46433998      -1.44007894      -2.72057418       1.29817292 
O       3.51577995       1.32972998       1.52278996      -2.24081049       0.85359688      -0.63163913 
O      10.91732164       9.10135005       6.75592000       0.55403518      -0.69337778       1.58538028 
O       1.92702005       7.47706003       6.37823997      -1.00164269      -1.54164989       0.36526970 
O      10.51549995       5.95659999       1.61980000       3.08930794       0.46542113      -0.54188720 
O      10.77459996       5.14097000       9.33339002       1.26192577      -0.76647056       0.85773010 
O       7.49718000       8.85204000       6.73412003      -3.13463855      -0.12298128      -2.26788419 
108
Lattice="11.00591777 0.0 0.0 0.0 11.00591777 0.0 0.0 0.0 10.67742789" Properties=species:S:1:pos:R:3:forces:R:3 stress="7.340688815024307e-06 -0.006224620894181007 -0.0077377874131066594 -0.006224620894181007 0.004221512417665158 0.006002472227561293 -0.0077377874131066594 0.006002472227561293 0.0020431319727818114" pbc="T T T" energy=-1055.13301958 free_energy=-1055.13301958 config_type=crystal 
Hf       1.51782997       1.65046999       2.82605997       1.72469747      -0.17639969       0.77572625 
Hf      10.87809999       7.00699998       0.05843329      -0.65566820       1.75282409      -0.31584943 
Hf       2.01722998       8.84199002       8.06200004       1.02225144      -0.41448903       0.27251918 
Hf       7.12923996       3.12553999      10.30009997      -0.44932890       1.58173318       2.97481286 
Hf       8.71258002       5.71709002       2.78520995      -0.18860601      -3.55105364      -2.98049325 
Hf       3.26258997       7.60028003       4.81191998       4.20460504      -1.01500021       2.79129136 
Hf       3.58171998      10.97779996      10.61130002       0.38583821      -0.66866942       0.16319391 
Hf       7.22487005       0.27362902       5.13613004       4.03261465      -2.17914138      -3.58505921 
Hf       5.26487997       1.70037996       2.61623997      -0.09345844       1.01873658      -2.04350171 
Hf       5.74159998       1.58560001       7.73897998      -2.13502819      -0.34424598       0.86997403 
Hf       1.75674996       9.00158001       2.47517001      -0.75536960       0.21738218      -1.19017634 
Hf       3.96874000      10.94760005       5.49257995      -1.17063532       1.41772220      -0.71844106 
Hf       3.31646999       3.25499996      10.51130003       0.18489413       2.35344659      -0.73021283 
Hf       7.34961002      10.85169999       0.12335600      -1.08162178      -0.07963494       0.87508538 
Hf       8.90718996       1.99815001       2.52218998      -0.06531149      -1.35820754       0.37058749 
Hf       5.64701997       5.04674995       7.97306999      -4.56545401       1.50172540      -0.54439104 
Hf       3.45456003       3.50882999       5.27730998       1.41495070       0.47569615       2.58262203 
Hf      10.93600004      10.78929996       5.07830002       3.09792077       0.70773001      -0.02139436 
Hf       9.17151996       1.62859001       7.53643996       4.82308211      -1.05643922       5.99080460 
Hf       5.24567002       8.97091004       2.27200002       1.78823369       0.59354863       4.42374048 
Hf       3.38315001       6.77184996      10.48920000       1.95720084      -1.06643181      -0.92131174 
Hf       5.10805995       5.31064995       2.62569996       1.96307923       3.22528717      -0.40402708 
Hf       9.36396999       5.01930999       8.23901002      -3.28557221       2.99871716      -0.61031823 
Hf      10.95350000       7.18817995       5.34706999      -0.81440326       1.60621671       0.49391211 
Hf       5.64686005       9.04353996       8.25001001      -0.37143117      -3.32975309      -3.34801343 
Hf       7.20471997       3.91748005       5.31979995      -1.11197310       0.09515583       0.61319174 
Hf       7.22010999       7.39004994       5.62105995      -3.73490366       0.55952716      -0.94447260 
Hf       0.19735702      10.53679999      10.55198488       0.44075554       2.69337135      -0.87699670 
Hf      10.64929995       3.85024996       5.15851003       2.10859495      -1.06809991      -0.39723941 
Hf      10.68849995       3.44832001       0.00945604      -0.28789633      -2.14799403       1.94650030 
Hf       1.68972997       5.18494003       7.77502004       2.73659455      -1.01042657      -0.15750088 
Hf       9.39756005       9.25646000       7.79195999      -3.47559531      -4.18048865      -0.15077679 
Hf       1.77748004       1.47369998       7.69200005       1.71116698       0.55918596       2.54571186 
Hf       7.15935997       7.25170996      10.65979999       1.37262505      -2.95299226      -0.93690854 
Hf       9.02518000       9.06761001       2.68403000      -1.10216431       1.32261896      -0.65736513 
Hf       1.79463001       5.20442997       2.50510001      -1.04072500       3.64592110      -2.48112910 
O       7.63098005       5.14309003       9.92951005       0.15994094      -0.68722997      -1.31761476 
O       8.98645997       7.34217002       1.10972003       0.03356653      -2.07080436      -1.42109068 
O       6.97490001       9.17480996       1.47275001       3.47312160      -0.52475420      -0.33763519 
O       5.05907999       7.47806999       6.22075000       1.41106334      -1.41510857      -0.95989859 
O       8.77738000       7.36305001       3.55180998      -0.56676629       1.67078037       2.63008458 
O       5.87386998       6.77456997       8.81529002       1.23435104       4.22103653       0.47391422 
O       7.19625995       1.47264000       1.60989997      -1.34817323       0.48222853      -0.39886508 
O       7.33475996       1.26733000       9.28184995       1.62383325       0.84861373       0.35265611 
O       9.01985005       7.17148001       8.94488997       2.43440035      -0.30673768       0.30229117 
O       3.57148998       9.56860995       4.19150995      -1.86931253      -3.43001604      -1.31059370 
O       7.28219998       2.06338000       4.19626002      -2.65247908      -0.93234480      -0.53639422 
O       6.87635005       8.90357000       4.50833999      -0.07061673       1.75260365      -2.13141105 
O       9.22808003       0.11870895       0.95614295       0.55558361      -1.39574760      -1.64148989 
O       4.06358999       9.50653999       6.82531995      -1.22073893      -0.68721103       3.12624104 
O       7.53441996       9.11487999       9.74872998      -0.52732484       0.07461483      -1.06792534 
O       9.99306000      10.86775674       8.64107999      -0.87821103       1.11315319       1.59808976 
O       8.65627000       0.07418913       3.47981998       0.95984287      -1.01748236      -0.32817993 
O       5.78787997       0.20827302       6.32558995      -1.34524420      -0.32700669       0.58681146 
O       1.62799998       3.67311995       6.09077997      -2.37144256       0.17337646      -1.28628706 
O       7.64464995       1.83663003       6.64510995      -6.88061389       0.83725233      -2.50158429 
O       9.10153003       3.88574999       6.42617997       0.51841446      -1.32648597      -0.61203704 
O       3.64390001       8.46496998       9.35601002       1.42221032       1.25254163       0.44607608 
O       6.80336002       5.68084996       4.18059997       0.96193337      -1.20179299       2.02522967 
O       8.67947003       3.69066999       3.94168996       3.76189452       2.21603718      -2.10816273 
O       8.66253005       3.34672999       0.84272497       2.26969080      -1.27330441       1.15124167 
O       6.97079998       5.98744005       1.81036996       0.01640545      -0.99891618      -0.30750123 
O       9.29693999       3.17914002       8.91908999      -0.36962339      -0.78404500       1.31894281 
O       5.25706005       7.01328997       0.56641000      -1.43673813       2.30077541       0.82249164 
O       3.69357995       4.77896001       1.42634004      -4.08123769       1.46924729       0.62276708 
O       3.52689004       9.33194002       1.77474996      -1.58033540      -0.27548111      -3.11867671 
O       1.53791005       7.42146997       3.78507996      -1.06735863       2.54209383      -0.71006558 
O      10.23330003       9.05571999       4.40919003       1.74225681       0.23950168      -0.44988423 
O      10.87909999       5.46738996       6.85359004      -0.53821910       0.68732778      -1.74874789 
O       7.27295997       5.25069004       6.90032995       1.57670211       1.54403591      -0.32335924 
O       9.35806003       0.23229101       6.03652998      -2.34251788      -1.66278397       0.94680153 
O       6.02156004       3.25470995       8.67122002      -0.06237720       0.75472939       0.88944991 
O       5.42758001       3.56179003       6.38184003       0.87047582      -1.01935947      -2.19428196 
O       1.82418002       6.83264996       9.13624005      -0.25176643      -1.45828629      -1.71928666 
O       1.77384996       7.35421996       0.99953196      -0.22384548      -1.76681998       1.09376584 
O       1.37086003       3.73157997       3.43731005      -0.11113596      -4.54392017       1.92696183 
O       0.00058331       1.91462005       7.06684999       0.94942217       0.64277111      -1.54808249 
O       2.06184996      10.93759997       6.15925004      -3.79357722       0.07764105       0.20837349 
O       2.02858996      10.63549996       9.01789998       0.46862198      -0.87141689      -1.24101210 
O      10.98429995       1.87849995       1.71599004      -1.57034131       1.06426584      -1.50900383 
O       0.85482996       1.50460999       9.63045003      -1.82678154       1.03621778       2.31966235 
O       1.95446004      10.66009995       0.99430803      -4.26160802      -0.04084858      -1.57115680 
O       1.16406995      10.73609999       3.23083005      -1.37359062       0.05164134       2.29001802 
O      10.87952977       1.75000003       4.40858996       0.09009871       1.12003952      -0.65286562 
O      10.77820005       5.85517995       3.87480997      -0.50611712      -2.21816887       2.85955381 
O       4.48396003       7.33071000       3.05120005       0.72400831      -1.04368957       0.86671663 
O      10.65720000       8.68127005       1.50289997       3.04526881       2.32593752       0.48255534 
O       1.38000000       4.38247996       0.47872205       3.38889270      -1.09645129       0.99070658 
O       3.52674003       4.91219005       6.99028995       0.93745069       1.29978022      -0.42008987 
O       3.23428000       1.65859995       4.31160005      -0.30202666       0.43602353      -1.74913657 
O       2.25174001       3.37846996       8.53931001      -0.52370705      -0.01179154       1.40492575 
O       4.18623003       5.00411995       9.67490998      -1.65770892      -0.15421085      -0.07086191 
O       9.00552002       7.75625997       6.19013995       3.98782626      -1.72694624       0.51210401 
O       5.39160002       3.41425999       0.81554002       1.70084446      -2.09630493      -0.33998922 
O       4.83361000       3.72764998       3.74576001       1.28402927      -2.05423333      -0.61160318 
O       3.10789002       5.71317995       3.98168995       1.04194789      -2.76829545       0.84450582 
O       0.61818105       8.69787996       9.78642995      -2.06845983       0.80124132      -0.22716491 
O       5.62711995      10.77169995       9.04050997      -1.72862798       0.35352088       0.35559235 
O       3.78711000       1.70892000       6.68855000      -0.13284122       0.66899990       1.76246189 
O       3.77486999       1.55007005       9.49312998       0.85550430       1.04160199      -0.16696846 
O       5.28796004      10.98415929       1.06617000       0.55515819       0.28660677      -1.08456621 
O       5.50200995       0.07886235       3.58863995       0.56932845      -0.64367648       1.82176882 
O       3.30882000       1.61565002       1.50742005      -0.03002613       1.59173933       0.12328158 
O       0.22790900       9.08487004       7.09133995      -0.49937843       0.07844877      -1.57752261 
O       1.74102998       7.16941002       6.35795003       1.18637002       0.54986909      -0.15760629 
O      10.43710002       4.67323001       1.80943996      -0.10366684       2.04750119      -1.38390531 
O       0.03426626       4.91807998       9.36411003      -1.25678623       2.10839174      -0.43078581 
O       7.44220996       9.32895995       6.90996996      -0.96309469       0.34240520       2.44315670 
108
Lattice="11.01076241 0.0 0.0 0.0 11.01076241 0.0 0.0 0.0 10.68212793" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00685229845291224 0.002031923714112406 0.0001603290590220551 0.002031923714112406 -0.02331003885286503 0.0017329124354677392 0.0001603290590220551 0.0017329124354677392 -0.013367347851640801" pbc="T T T" energy=-1055.85255664 free_energy=-1055.85255664 config_type=crystal 
Hf       1.71179996       1.69119001       2.78157997       0.66018892       3.38715027       0.24569139 
Hf       0.28899695       7.43224998      10.66299998       1.17984475      -2.91324784       1.20434777 
Hf       1.69015005       9.13318001       7.91386003      -3.43746142      -1.70386608      -0.36757898 
Hf       7.42927003       3.52112995       0.26048305      -0.92668892      -1.83147187      -4.26150808 
Hf       9.06550995       5.54741006       2.40568998       5.43148981      -0.44540454       1.02579496 
Hf       3.64427002       7.42670001       5.85277998      -1.16104045       0.63896291      -0.23107777 
Hf       3.39219998      10.98960005       0.36783299       1.62883720      -1.51746875      -0.36831160 
Hf       7.04348000      10.72699998       5.23248003       2.87316121       0.05122300       2.69911401 
Hf       5.54963996       1.21869001       2.48576001      -3.80179747       1.38406152       2.77046585 
Hf       5.63478002       1.46385003       7.68427995      -2.80603579       2.92978661       3.96926340 
Hf       1.62739002       9.22191002       2.50068999       2.29064049      -3.01101136       2.18098904 
Hf       3.56067004      10.92869997       5.15021995      -1.59955435       3.12005287       1.59243122 
Hf       3.44636996       3.41584999      10.43159998       1.82570809       1.57595433       3.14741495 
Hf       7.34378996      10.83490005       0.32117901      -0.48814850       0.16157312      -5.73282462 
Hf       9.27145999       1.36327002       2.42103999       2.75137884       3.03084183       1.59107089 
Hf       5.18317998       4.99713003       8.29494997       0.20374502      -0.85811695      -1.34704405 
Hf       3.65380997       3.82990003       5.27710002      -4.40080921      -0.46548646      -5.06303094 
Hf      10.85349998       0.09165028       5.57441003      -0.81125244      -1.14571943      -0.58761990 
Hf       9.00245000       1.62610000       8.14676001       1.27801989      -1.46667321      -0.14040494 
Hf       5.45618005       8.69910999       2.74408004      -0.86560963       0.83329096      -0.11237791 
Hf       3.70813002       7.37754004      10.41009996      -1.65769303      -0.16040135       0.77915320 
Hf       5.13347002       5.27038004       2.25364998       1.10999893       1.08626400       2.76152254 
Hf       8.55183003       5.03270999       7.42757998       2.66564848       0.16916583       2.26443516 
Hf      10.71840002       7.51682001       4.87238005       2.21478513      -0.26790483       1.87644553 
Hf       5.72489000       8.99586005       8.10349002       0.78348571       1.56639955       1.06272952 
Hf       7.15470004       3.48369005       4.63486005      -0.65545320      -2.65238403       1.85253448 
Hf       7.25672995       6.97251002       5.43954998      -1.47812960       3.84066797       0.27652798 
Hf       0.05777325       0.24807600      10.55070005      -5.05374610      -1.26359039      -4.76135369 
Hf      10.56480000       3.57738999       5.13466004       2.24025795       0.37502017       1.41001733 
Hf      10.90239999       3.79531995      10.19090002       0.09823553       1.99164698       1.72930640 
Hf       1.58372002       5.26015006       7.66522998      -2.76986964       0.79845551      -0.06078154 
Hf       9.24658998       8.76338003       8.00738997       0.69668055       0.12860911       0.04562678 
Hf       1.89303997       1.50964005       7.88213999      -1.04075340       0.27013745       0.48936861 
Hf       7.46137004       6.89441002      10.38110001      -1.03976973       1.99176061      -0.92588265 
Hf       9.08046004       9.10859000       2.54351999       0.94461585       3.39885632       0.32383934 
Hf       1.70694003       5.48639997       2.56762998       2.04727311      -1.62153647       0.44922407 
O       6.81321006       5.14838003       9.66899999      -0.56027226      -0.90303596       0.30258302 
O       9.26476005       6.98515005       0.72803402      -1.98639590       0.60372912       0.05128844 
O       7.02321998       9.43763001       1.66822001       4.72562878      -2.05844052       2.04543769 
O       5.56359004       7.93983996       6.42350995       0.64308758      -1.56827153      -1.01721419 
O       8.85819998       7.44212003       3.43310004       1.27213100      -2.93159837       0.88826405 
O       5.22061999       7.13358999       9.03252003       1.19554634       1.01808659      -0.82060734 
O       7.39909999       1.30130002       1.79877997      -0.79960035       1.13214273       0.64013981 
O       7.97266998       1.81384000      10.22269997       0.01586401      -2.17442444      -2.19472336 
O       8.33784996       6.90260996       8.27840004      -0.46806855       0.40282394       4.15456491 
O       3.59742000       9.02461004       4.66094997      -1.01833942      -2.70944037      -0.01735757 
O       6.57934003       1.43656999       4.42601996       0.32952037       2.29790225      -1.39125624 
O       7.16170002       9.09810996       4.30687001      -0.10890893      -2.55720299      -1.01051181 
O       9.40676002      10.86289998       1.16710003      -1.36541343      -2.05750996      -1.08260831 
O       3.47930997       8.98001997       7.30986004       3.35542816      -0.84835007      -1.37516113 
O       7.41492003       8.91714004       9.68194000      -0.20019166      -0.90666536       0.28134453 
O       9.52969000      10.77470003       9.09091004      -1.75587565       0.02526468      -0.40598619 
O       8.97298002       0.03103295       3.83842997      -0.95042170      -0.41853774      -1.26549584 
O       5.08299999      10.62940003       3.88755002       2.06442686       0.83633598      -2.01665593 
O       1.50697996       3.64991997       5.70830997       1.68813197       1.54492591       2.07632157 
O       7.19949997       2.33266999       7.10539995       1.93708965      -0.83033548       0.99338905 
O       8.67841999       3.60262005       5.97276004       1.33914115       0.11731484      -0.52678029 
O       3.69746995       9.36243003       9.85761998       0.88303800       0.08870531       0.10487043 
O       7.46156999       5.37681998       4.47009004       1.52813977       0.01466861      -2.63748494 
O       8.87012001       3.19677998       3.48062995      -0.55717237       0.63932348       0.45570238 
O       9.27689997       3.52790003       1.01999004       1.89980812      -0.52699462      -0.10855385 
O       7.59951998       5.03352996       1.41724000      -4.61536736       3.59226656       1.64622864 
O       8.94097999       3.93510004       9.02645002      -0.09781785      -0.86149246       0.19753518 
O       5.68658004       7.33050999       1.09175001       0.26326829      -1.37272056      -1.66076759 
O       3.54314002       5.60086995       1.40869002      -2.12509492       0.03735681      -2.68819407 
O       3.61593999       8.98861002       1.96551004       0.58591684       1.35167268      -0.17774381 
O       1.36285998       7.20166997       3.48812998      -0.84471540       2.61074963       1.28665011 
O      10.75919996       9.44170003       4.06448003       0.03878612      -2.10589719      -0.89447708 
O      10.49410000       5.02525999       6.99935003       1.86402030      -0.10941731      -0.82563307 
O       6.63760998       5.38664004       6.87479001       0.12013136       1.20802159      -1.47949889 
O       9.05450998       0.26817604       6.38332998      -1.79982552       1.03631949      -0.12498643 
O       4.75159003       3.17102999       9.02723002       2.73522772      -0.83271820      -2.06879977 
O       4.87437996       3.29722004       6.50688000       4.63247638       0.32934092       1.55708656 
O       1.98563002       7.49162001       9.05482004       2.99125495      -1.75256692       1.28323576 
O       2.04326002       7.56077002       1.02898001      -1.37208413      -0.87479281      -1.18632924 
O       2.01724005       3.55498001       3.29565000      -1.76347710       0.73137449      -1.41113786 
O      10.98059997       1.59317001       6.79123996      -0.26972283       2.12544397       1.72557877 
O       1.86544997       0.03171617       6.56232003      -0.66696267      -2.36396460      -2.52800456 
O       1.06399001      10.65370001       8.97372998       2.79215928       2.42455087      -0.62003216 
O       0.29250498       1.44307999       1.23667999      -1.29133392       4.92246736       4.76742280 
O      10.62709999       2.08622005       9.32001999      -0.05957859      -3.24426246       1.55341819 
O       1.49333003      10.59570005       0.95119403       4.44811433      -1.73316282       0.72044605 
O       1.96979996      10.91779997       3.55081997       0.93779102      -1.57923055       2.12427934 
O       0.16856299       1.68803995       4.20352000      -1.63963519       0.36131350      -0.96731822 
O      10.90460005       5.41041999       4.35601998      -1.97551345       0.15882854      -1.37239203 
O       5.64814003       6.95078997       3.57741003       0.20153502      -0.66090357       1.39584985 
O      10.99280154       8.87826005       1.60844998      -4.52628158      -1.23076788      -1.64307385 
O       1.72599999       3.60812995       0.58936301      -2.40187117       0.47614422      -0.68963191 
O       3.74179003       5.46031999       6.85823004      -1.98406141       1.32668361      -0.86092133 
O       3.73474997       1.48835999       7.14494999      -2.67800939      -1.48142831       0.28856337 
O       1.08865005       3.35307995       8.22997005       3.24406491       2.75800745       1.57260854 
O       3.57879001       5.27926000       9.45400005      -2.05415145       0.40429685       0.95530792 
O       9.13302002       7.21606005       6.25487995      -0.13342097      -0.36927733      -3.18575592 
O       5.31108001       3.31707002       0.90421297       0.91605187       0.54935606       0.97513618 
O       5.25927998       3.82785004       3.61996005       2.66436527      -1.87612512       0.88387518 
O       3.48348999       5.36066004       3.79688001       0.64063993       2.22082573       1.93369693 
O      11.00776693       8.42306995       9.11051003      -3.13606259       1.98495575      -0.63225284 
O       6.09062998       0.18428999       9.29037997      -0.10437486      -0.39580728      -0.59999494 
O       5.59153998      10.81509995       6.76028999      -0.24710431      -3.01392353      -3.08984261 
O       2.98971004       1.56254005       9.91143996      -1.26446648      -1.83566408      -1.44329965 
O       5.43179000      10.77190000       1.12012996      -2.17705626       2.34851278      -0.27825366 
O       3.42901997       1.91048003       4.46983004       0.43082552      -2.14566694       0.22159975 
O       3.50822996       1.47560997       1.85430001       1.51650185      -0.79422472      -1.11141871 
O      10.86139999       9.18427005       6.58407995       0.18727386      -0.24246376       0.45584671 
O       1.55125996       7.16861996       6.47655996       0.59168363      -0.37999331      -1.10484033 
O      11.00882936       5.40885998       1.53735999      -1.44213292       0.45788649       0.22017218 
O       0.18397696       5.73748004       9.48993996       0.81007378      -1.93134066      -0.22333329 
O       7.75887005       9.37980005       7.02704996      -3.97854402       0.13542361      -0.80763077 
108
Lattice="11.01651512 0.0 0.0 0.0 11.01651512 0.0 0.0 0.0 10.68770894" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.004334904966053041 -0.010938388310303323 0.016761709615130092 -0.010938388310303323 -0.03018656036551748 0.001737239536431513 0.016761709615130092 0.001737239536431513 0.019617281566813884" pbc="T T T" energy=-1053.6981934 free_energy=-1053.6981934 config_type=crystal 
Hf       1.67978005       1.56255001       2.28620002       0.17388705       0.08814876       1.63577451 
Hf      10.89979999       7.38004004      10.37720000       0.19418917      -2.21252071      -0.05153297 
Hf       1.65833001       9.06464995       7.90803998      -0.35839760      -0.65349930      -0.46371036 
Hf       7.20161998       3.45499000      10.40680004      -0.18667839      -0.69007485       2.04621156 
Hf       9.12891006       5.38014001       2.21966999      -3.57058763      -3.32325410      -1.88475482 
Hf       3.71958003       7.49315002       5.31503004      -0.99843426      -0.16717800       1.40144064 
Hf       3.81870002      10.92249996      10.41370002       0.72262877      -4.27501153       1.03911804 
Hf       6.88060997      10.92369999       5.36383995       4.07559335       2.16346668       2.05269792 
Hf       5.25841996       1.98001005       2.58792997       1.41853383      -1.03351639      -0.08324788 
Hf       5.22064004       1.61956003       7.83264995       2.10585215       1.93442028       3.22556795 
Hf       1.54728001       9.21425004       2.73080005       1.22094590       0.32566418      -2.02535296 
Hf       3.40112001       0.14311004       5.53754996      -1.16342097      -4.41909649       0.70216044 
Hf       3.67756998       3.60312996       0.13493404      -3.39092169       0.25766981      -3.88437256 
Hf       7.26310998      11.00197376      10.63543279       0.78955356      -1.89416717      -3.06391017 
Hf       9.20021004       1.77803998       2.71950998      -1.93376468       1.27283461      -4.10199217 
Hf       5.65358005       5.10084998       7.77518000       3.68215175       2.75532340       0.99166053 
Hf       3.31311998       3.35086002       5.17215001       1.25512164       1.57971628       0.71654311 
Hf      11.01109995       0.00801319       5.16465002      -0.06754633       1.16923146       1.78410204 
Hf       9.19079004       1.44117996       7.63770999      -3.52333878       1.61396731       2.70832244 
Hf       5.28921002       9.38484001       2.70295996      -0.96506659      -2.70730925      -5.18976860 
Hf       3.45821001       6.91634996      10.64463662       0.66762914       2.53763570       0.31385094 
Hf       5.27283000       5.50177996       2.73485999       1.72555038      -1.97281041      -0.59347265 
Hf       9.25268005       5.33582001       7.89953000      -1.25572609       0.79457788       0.60555814 
Hf       0.17525502       7.20088000       4.96531003      -2.79911279       2.07044419       5.19555354 
Hf       5.29644996       8.64534001       8.10021995       1.31627198       0.60699030       1.62779599 
Hf       7.34796998       3.46015002       5.15577997      -0.12253925       0.55730315       0.24401642 
Hf       7.16639996       7.24249004       4.98003000       1.09955095      -5.81734320       4.19993299 
Hf      10.77240005      10.65620005      10.59949996      -0.77751782      -1.61522775       2.04915778 
Hf      10.75720001       3.63296995       4.97557002       1.20876722      -1.77921450       2.96391511 
Hf      10.91030005       3.47995001      10.42309997      -1.06774879       0.32608570      -0.87509514 
Hf       1.69138000       5.53047996       7.95363995       0.43450042      -2.09885716       0.10079002 
Hf       9.22638000       8.98892000       7.68981000      -3.45880250      -0.77560881       0.95227011 
Hf       1.59827998       1.56055998       8.31224005      -0.81430616      -1.40898308      -2.21084131 
Hf       7.17704996       7.05093003       0.07172575      -0.96910289       0.08796567      -0.45033359 
Hf       9.06175999       8.78474002       2.76552998      -0.03476773       0.72290425      -2.69092889 
Hf       1.75692000       5.26586999       3.07607996       4.06697746       1.10663682      -6.44358902 
O       7.45798002       4.94954001       9.26944002       2.60063850       2.71148617      -1.85604459 
O       9.17832001       6.83848997       0.79002999      -0.63884795       1.53309308      -0.39963924 
O       7.18923004       8.87844000       2.07259996      -0.12718545      -0.89647614       1.60765789 
O       5.52831996       7.04015004       6.51746003      -0.66670286       0.99103090      -2.64284045 
O       9.35915996       6.86154005       3.44390002       0.94182152       4.55915849       2.24613090 
O       5.95064005       7.09931004       9.18299997      -1.74278480      -1.86606501      -1.40189567 
O       7.65294997       1.65221001       0.93099403       0.52602362       1.10559291       2.59857252 
O       7.10735001       1.84946996       9.04570000      -1.04617409      -0.35983879       0.08801258 
O       9.46394002       7.19980997       8.83014002      -1.11014064      -0.47202837       0.29200828 
O       3.49176996       9.35845997       4.48617000       0.38982511      -2.13649243      -1.09586229 
O       6.95243004       1.72696995       3.94963001       0.49697073      -1.22207075      -1.35129899 
O       7.83363999       8.92362005       4.75391004       1.00655278       3.89345886      -2.90011283 
O       9.02900998      10.47110002       0.99985697       1.28670159      -0.20694045       0.63038083 
O       3.43704002       8.93616004       7.05021999       3.14360485      -0.86766369      -1.96200200 
O       7.18923004       8.93823004      10.19880002       0.57999137      -0.38083079       1.04580027 
O       8.68030004      10.64430001       8.84602998       1.21605138       1.71653544       1.58084484 
O       9.38621002       0.43231504       3.98235001      -0.61872582      -3.13481639       0.85264083 
O       5.44085995      10.70290005       4.00025000       0.89141435       1.81768806       1.08799604 
O       1.70865004       3.79344995       6.26487997      -0.01799372      -0.10518842      -1.92738437 
O       7.38428999       1.74517001       6.34363000      -1.24733616      -1.14607757       0.72491274 
O       9.24550004       3.11581000       5.90885999      -1.13057199      -0.18502133       0.73414871 
O       3.76684000       8.73696999       9.54721999       0.10170975      -1.36936168       0.29789725 
O       7.46830998       5.32358001       3.81700997      -2.47837039       2.21853155       1.45554940 
O       9.14097997       3.65990004       3.44287005       1.28680463      -0.93027796       1.21264069 
O       9.10429002       3.63204005       0.68440999       1.39672644       0.61654325      -0.60603101 
O       7.21902001       5.10252999       1.32720002      -0.26748007       0.99504197       0.21649222 
O      10.04460004       3.49787002       8.54708995      -2.60536353      -3.09642496      -0.58974649 
O       5.35310999       6.74991003       1.21330997      -0.56814289       1.72639635      -2.06377919 
O       3.59732998       4.91855001       1.65428997      -0.42914276       1.30276350      -0.18454002 
O       3.99431000       9.46726998       1.14268004      -1.16735486      -1.98807510       3.76925492 
O       1.91262996       7.50910998       3.89379999      -0.48120777      -2.19822397       0.57103503 
O      10.84229995       9.22458001       3.77033002      -0.09323668      -0.78665080       2.64382989 
O      10.82690316       5.29947995       6.78137003       2.40790922       0.39613982      -1.34493378 
O       7.63031995       4.97010003       6.52784998      -1.62848151       0.12916005       0.37670349 
O       8.92101002      10.97469995       6.49136995       0.69487635      -3.53950276      -3.27191046 
O       5.25160999       4.13870004       9.36581997      -1.75099999      -1.54357676       1.75442573 
O       5.56101995       3.35398001       6.94100998      -0.59235513      -2.29978402      -3.34639031 
O       1.76790005       7.53600999       9.24029005      -1.70305373      -2.71079259       0.04946933 
O       2.01023000       7.07083995       1.22292998      -0.16661361       0.34005494       1.23157131 
O       2.69912002       3.37289999       3.13261003      -3.28984673       0.01124335       1.97587079 
O      10.88297116       1.40380004       6.80036999       3.83614340       0.07884749      -0.83521635 
O       1.66930995      10.70860000       6.62531002      -0.31619214       0.19254953      -2.27543148 
O       1.92675005      10.61799996       9.11057001       0.90081430       2.16314822       2.42269924 
O      10.80369995       1.71901999       1.60681998      -2.00610661      -1.86673149      -0.40921144 
O      10.91270000       1.17029002       9.45949004      -0.52839028       1.81863159      -0.06521790 
O       1.58136004      10.66909995       1.41096002      -0.93760001       1.36674805      -2.28513680 
O       1.66833995       0.12104704       3.90594999       0.37525204      -3.11736119       0.55880488 
O       0.32541398       1.90543001       4.10413004      -0.63928170       2.26307115       0.43822014 
O       0.31118493       5.41603996       4.29917998      -0.48277128      -0.30712090       0.67909497 
O       5.17134003       7.30675003       3.70602998       0.87175142       1.80870122       1.63666168 
O       0.02888486       8.71815995       1.33503999      -0.96829234       0.04809636       0.06771424 
O       1.49385003       2.79701001       0.78029595       3.52921834       2.00003863      -0.80235500 
O       3.85556999       5.11220999       7.38510000      -5.35027707       1.39204193      -1.41640193 
O       3.06111003       1.60331001       6.85302000       2.41307088       2.25795473       0.55592059 
O       1.70063001       3.25179005       9.12845995      -0.03196161       0.85065131      -0.85663885 
O       2.82863997       5.27113996       9.76774996       0.48953141       0.12068423       0.45360900 
O       9.09312004       7.06804000       6.34764997      -0.76216051       1.02056431      -2.15855493 
O       5.43050002       3.42838005       0.77603497       1.67780754      -3.23209382       4.65781622 
O       5.38505998       3.59058997       3.77210995       0.14868963       0.14031699      -0.07047642 
O       3.73643001       5.26237996       4.33293999      -1.77826687       2.38248675       1.02574839 
O      10.71350003       9.05153997       9.27871001       1.25233953       2.41826772       1.27504445 
O       5.33503002      10.40699998       9.12930001       0.61429629       3.55530573       0.05264739 
O       5.29265004       0.14786598       6.61908999      -0.63554268      -1.89901393      -2.37557392 
O       3.91876997       1.67257998       9.46425996      -0.60291569       1.01599974      -0.22372691 
O       5.63644000       0.01990530       1.10317003       0.95290127       0.87238997       1.08565206 
O       3.73447998       1.54583002       4.34809003       1.42701705       2.17299813      -1.60021224 
O       3.65361005       1.21829999       1.60791002      -0.76756252       1.62866315      -0.51743468 
O      10.90699410       8.96434998       6.72663004       1.84515415       0.05723288      -2.63809520 
O       1.81266004       7.12133999       6.61088995      -0.12791171      -0.64930194      -2.13180851 
O       0.04149866       5.34234003       1.86124004       2.91489245      -1.46964994      -0.36462657 
O      10.87360712       5.29947003       9.41666001       2.60863862       2.84475896       2.08758656 
O       7.23231001       9.00478004       7.20084999      -2.02171813       0.32207270      -0.61407259 
108
Lattice="11.02160537 0.0 0.0 0.0 11.02160537 0.0 0.0 0.0 10.69264726" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00025430095203646106 -0.004457580741899689 -0.0003683894099673534 -0.004457580741899689 0.010960554486952606 0.0029056443587820455 -0.0003683894099673534 0.0029056443587820455 0.012451202901736914" pbc="T T T" energy=-1054.87521189 free_energy=-1054.87521189 config_type=crystal 
Hf       1.57572001       1.88882002       2.69282998       5.11415812       0.30823474       1.30751245 
Hf      10.84470001       6.96913004       0.02017617      -1.80978351       1.65216964       0.92100643 
Hf       1.67881997       9.00040000       7.72662998      -0.29039739       1.62051355      -1.62978664 
Hf       7.04386005       3.13482000      10.39130002       0.04486451       1.98318800       3.70889287 
Hf       8.81142995       5.27926003       2.65908003      -0.22454274       0.33820688       1.31040669 
Hf       3.76686002       7.24790997       5.54880003      -1.42936788      -1.79992892      -4.57302439 
Hf       3.54959001       0.02322175      10.65981420      -0.75614127       1.34410005      -3.12832478 
Hf       7.06898005      10.58829999       5.07715997       0.67481668       2.75550714      -0.68762387 
Hf       5.45711005       1.73591001       2.51088999      -2.36999902       0.98856703       2.80066012 
Hf       5.67159997       1.46214998       7.67002995      -1.24565338       0.62870468      -0.52173575 
Hf       1.53578995       9.30835997       2.16596005       0.80884162      -1.38513354       3.88113329 
Hf       3.55180998      10.83290006       5.02409001       1.10363477       1.96422039      -0.70467161 
Hf       3.41084001       3.62119000      10.42830000      -0.22213080      -0.79162079       3.28541847 
Hf       7.13642004      10.91460002       0.34577797       1.07672520       0.04727301      -2.40950166 
Hf       9.47389004       1.79548002       2.39851999      -2.37058664      -0.78673544      -0.63299779 
Hf       5.65106000       5.13435997       8.01298998      -3.45821133       0.40279362      -0.82590056 
Hf       3.89893996       3.66738000       5.17648002      -3.54090901      -1.48806101      -3.35211941 
Hf      10.70990004       0.03708208       5.28412001       0.37228356      -4.61206916       1.55430403 
Hf       9.19821004       1.55313002       7.98627996       0.21833434       0.26170836       1.26670664 
Hf       5.15363996       8.92441000       2.64750000       0.41355023      -1.35142797       1.20493173 
Hf       3.49918997       7.20346006      10.46799998       1.10756513      -1.50235742       2.82061857 
Hf       5.21268997       5.41652002       2.61801000      -1.03202055      -1.20107162      -1.54132629 
Hf       9.16558995       5.39583996       8.14216005       0.26234937      -0.18241290      -4.52475264 
Hf      10.84639998       7.31638996       4.97991003       0.44245510       1.08224081       1.45556068 
Hf       5.32099995       9.02263995       8.26112003      -0.50279538       0.00820910      -1.07536304 
Hf       7.73100005       3.36109003       5.35635996      -2.99703586       1.01834309      -0.92443823 
Hf       7.03416004       7.30639998       5.26769001       2.82528348      -3.52715340       2.29636703 
Hf      10.77150001      10.83569998      10.42060001       1.01819621       0.02427412      -0.55937140 
Hf       0.26689699       3.46038995       5.74656995       1.14039615       1.68972300      -2.59389826 
Hf      10.65260004       3.68786002      10.23789999       2.95711367      -4.39754418       5.31659771 
Hf       2.00579000       5.42798998       7.71502996       1.51771971       1.02100352       2.97100425 
Hf       8.91547997       9.05387000       8.10358996       0.79063007      -6.25532582      -3.04462316 
Hf       2.05183000       1.79798997       7.79303004       1.47264741      -1.99067539       4.83253207 
Hf       7.20450998       7.09841005      10.60252749      -0.35344160      -1.22806443      -0.50427084 
Hf       8.89253001       9.03322995       2.54428002       1.67372098       0.26672588       0.25032539 
Hf       1.43808000       5.50593995       2.70094003       1.47556774      -2.16499347      -1.46082993 
O       7.83489003       5.09325997       9.68250004      -1.71748957      -1.78120329       1.10780924 
O       8.59653003       7.24789002       1.33300999       0.51765169      -0.31965527      -0.26568901 
O       7.18785997       9.33978995       1.55451000      -0.74015753       0.05453548       1.00024503 
O       5.42994995       6.90581995       6.46200001       2.68032035      -0.87690655       0.23913693 
O       9.19041997       7.49541996       3.77966999       0.09674760      -0.49386508       0.48401652 
O       5.53331002       6.89169003       9.01208998       0.73142958       1.79067159       0.73197062 
O       7.21853001       1.84368996       1.44212001      -0.99663468      -1.46222552       0.07450836 
O       7.28089003       1.36096998       9.32776997       0.82801260       0.91983037       0.85773436 
O       8.82242995       7.08410004       8.94992999      -0.04472784       3.67938725       4.19322218 
O       3.83696999       8.92368996       4.27498004       0.44482037      -0.79408291       0.77175268 
O       6.91529005       1.57089002       4.42420000      -0.73243444       1.03340184      -0.14800533 
O       6.98919002       8.86070005       4.16114997       1.07031655       2.13353403      -2.83188396 
O       9.08862002       0.11537901       1.01620995       0.60041617      -0.48910967       0.74821280 
O       3.69575005       8.62526997       6.78060005       1.76369048       4.77256966       5.25143678 
O       7.29037005       8.95509999       9.70154996      -1.38582520       0.82967945      -1.00787567 
O       9.04638005      10.60739999       9.09487000       1.37700959       5.14110821       1.63201500 
O       8.80377996      11.01568743       4.02416999       2.26433635      -1.78071549      -2.41958027 
O       5.29893999      10.75660002       3.63476997       0.98336104       0.54125217      -0.98097950 
O       2.17299999       3.40970005       6.63312000      -1.65352304       1.04638889       0.17560045 
O       7.46624996       2.35492999       7.06024998      -1.00813532      -1.31338650       2.33659048 
O       9.46143001       3.62930002       6.41592004      -0.75151184      -0.77224062      -2.39538287 
O       4.05459997       9.06395003      10.03089996       1.16940204      -0.67001335      -0.56725607 
O       7.56310000       5.32743998       4.45162995       0.29758276       0.28219721      -0.11387805 
O       8.79601998       3.29223001       3.66674997       1.45269201      -0.54604012      -2.71058179 
O       9.03761004       2.98694995       0.70575899       1.64389157       0.56672894      -0.76986812 
O       7.37126995       4.83041000       1.35600004      -1.56240632       0.68430728       1.37392139 
O       9.98022998       3.43449998       8.53856001      -3.43940576      -0.56037500      -0.97376072 
O       5.42797003       7.27004995       1.01897004       1.50793089      -0.70912559      -0.50423433 
O       3.50486996       5.29766005       1.66708005      -0.73490536       1.56508134      -1.73763718 
O       3.40842000       8.14524003       2.06465000      -1.53334617       2.14065637      -2.24814219 
O       1.31265005       7.26900003       3.68530000      -0.01097704      -0.77556518      -1.20235577 
O       0.23783996       9.46512004       3.83202996      -2.38060292       0.53737115       0.79797203 
O       0.30383105       5.31516996       6.88730005      -1.92123396      -0.95553340      -2.04834406 
O       7.36001998       5.02759997       7.32180999       1.34791465      -0.03658512      -2.47222155 
O       8.73793998       0.49922902       6.44997003       1.54819054      -2.95882155      -1.33108459 
O       5.41698998       3.18161002       9.07242998       0.55559671       1.64791617      -0.93789430 
O       5.46903995       3.47102999       6.07935999       3.85885810      -0.36414688       2.75822406 
O       2.46033004       7.41397999       8.70510002      -1.25610956      -1.96146136       1.18313163 
O       1.61775002       6.82844002       0.74326099      -0.31797750       0.59255338      -0.37265476 
O       1.62716997       3.23699998       4.16112997      -1.09205816       2.90495196       2.08587601 
O       0.28108400       1.24413998       7.24726000      -2.96291775       0.66337735      -4.08682382 
O       1.86853001      10.50809996       5.85837997      -1.00155672       0.98521787       0.28568957 
O       2.19454998      10.53529996       8.83438995       0.15946929       1.36160171      -0.76424693 
O       0.22079395       1.64529004       1.37565002      -3.15531427      -1.23726753      -0.24160860 
O       0.07474765       1.60597002       9.56234997      -1.16696047      -1.99703249       1.09023847 
O       1.66914002      10.40170003       0.54739799      -1.10802023      -0.46375614      -0.45224169 
O       2.23522003      11.00780004       3.02077999      -0.75483562      -3.16036230       1.69916768 
O      10.96139996       1.52325001       4.11185996      -0.50798029       1.38604175      -0.94540370 
O      10.58560003       5.15486997       3.94268004       1.80352253       1.05437441       1.24321287 
O       5.75638995       7.02305996       3.76938003      -2.43514245       0.00304985      -1.58913820 
O      10.60830002       8.87169003       1.27623000       0.18529432       0.04740234      -0.38478264 
O       1.62002003       3.70177997       1.74998998       0.03842788       0.41296077      -2.12487804 
O       3.77499000       5.20635001       6.91563995       0.14739010       0.40178292      -0.84696615 
O       3.66053999       1.37480001       6.83863001       2.16299926      -0.47593561      -0.21546985 
O       1.47933001       3.76472998       9.28370001       2.72236019      -0.07222939      -0.82322743 
O       3.67875000       5.33341006       9.53092001      -0.00976884      -0.35776981      -0.35862602 
O       9.12245998       7.36700999       6.75010996       1.34122245      -1.90874670      -3.25782686 
O       4.93929001       3.37131995       1.10457003       1.92075278      -1.18902056      -2.70874549 
O       5.12722999       3.61222998       3.40455995       1.62307897      -0.91217535       1.25557559 
O       3.65145995       5.34682996       4.04808998      -1.31439395       1.98029501       2.14140252 
O      10.92750004       8.98091006       9.03849002      -0.17356972      -0.88502357       2.44364539 
O       5.16433995      11.00829998       9.01911003       1.17551115      -1.23286748      -0.74810309 
O       5.56692999      10.66980003       6.28653003      -2.08671013       1.87272674       2.88399428 
O       3.37020997       1.81692002       9.52236995      -0.98447475      -0.05109012      -0.19852228 
O       5.35949004       0.14323105       1.12018001      -0.23659466      -1.48669640      -0.95393808 
O       3.59567002       1.79012000       4.22102997       0.86585671      -0.85970762       0.17271520 
O       3.25876004       1.21886005       1.45684999       0.44716971       2.76103207       0.03850876 
O       0.02059464       9.28386004       6.65255998      -3.46453657      -0.09438222      -1.75240803 
O       1.86709996       7.28895002       6.19775999      -1.91132139      -1.86145295       0.44060602 
O      10.52050004       5.42715002       1.33402996       0.23236341       0.31912571       0.22409624 
O      10.78110005       5.40401005       9.47194995       0.51088300       4.92618876      -0.51200257 
O       7.13085005       8.82388998       6.62643998       0.56924894       2.08614352       2.79262218 
108
Lattice="11.02711383 0.0 0.0 0.0 11.02711383 0.0 0.0 0.0 10.69799132" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0015447171603117178 0.0029089352506422492 -0.01151457562824025 0.0029089352506422492 -0.0010496430781521987 -0.010936189982132588 -0.01151457562824025 -0.010936189982132588 0.002100987523035513" pbc="T T T" energy=-1050.84318709 free_energy=-1050.84318709 config_type=crystal 
Hf       1.51416002       1.97154000       2.83003999      -4.21009537      -1.45017406       1.04206269 
Hf      10.80989998       7.27112999      10.69496422      -0.13586398      -1.08643509      -1.36850840 
Hf       1.53490996       9.13754995       8.24861004      -1.39765646       1.34042417      -5.88813022 
Hf       7.58850003       3.68467998      10.33689999      -4.73558694      -1.27742806      -2.38994419 
Hf       8.89445998       5.59127998       2.50883002       2.87254907      -0.53874404       0.06172255 
Hf       3.58420004       7.08430995       5.20442001       0.47683656       3.33197099       0.90852027 
Hf       3.51774999      10.69400005      10.62260001       1.18554850      -0.34878398       0.58070175 
Hf       6.91003998      10.78330004       5.23807996       1.41644042       1.82478856       2.24722349 
Hf       4.82290000       1.41723003       2.43669999       8.20788377       2.80790876       2.95791722 
Hf       5.79502003       1.03592004       8.29112995      -1.89331061       2.42785615      -0.22907975 
Hf       1.59326004       9.19988005       2.50122995      -2.34350436      -3.58646618       0.12967287 
Hf       3.42497998      10.58870004       4.91972999      -0.64807311      -0.40528145       4.66099206 
Hf       3.78122997       3.30355999       0.02060433       0.69721656       2.72686330      -1.96687985 
Hf       7.39975003      10.64950002       0.49424602      -0.74375966       5.52429522      -0.60478662 
Hf       8.89615000       1.87910003       2.48767004       1.87448927      -3.96969610      -0.42336518 
Hf       5.58408997       4.99076001       8.10764999      -0.86864592       0.68274202       0.40918947 
Hf       3.80863003       3.14689999       5.56068997      -3.09475247       0.53088184      -1.09370326 
Hf      10.64380000      11.00775452       5.40877999      -0.08740349       0.65472901       0.25789622 
Hf       8.95402999       1.65765000       8.08556998       0.29401551      -1.57764922      -3.07299518 
Hf       5.23685994       8.98098004       2.39920000      -0.33312510      -2.20376839       0.29048199 
Hf       3.46275005       7.17860005      10.17910001       0.28147591      -0.76922502       1.70426963 
Hf       5.73575999       5.06522997       2.35497001      -1.71917497       3.16691596       2.70417613 
Hf       9.10218004       5.49720999       7.71254000       2.58783190       1.73151116       2.16502304 
Hf      10.88479999       7.33755997       4.86658001       3.10906164       1.42816196       1.82175713 
Hf       5.03987004       8.93267003       7.75022999      -1.62804771       0.46795077      -0.01712054 
Hf       7.12007000       3.35999996       4.90637001       2.25234662      -0.52307428       0.50324942 
Hf       7.56672005       7.21838995       5.41843996      -2.70244208       1.94735870       0.09365104 
Hf      10.96429997       0.32965303      10.37759996      -0.84264600      -2.00794297       3.09448222 
Hf      10.88220002       3.76462998       5.14868005      -0.23740395      -1.13818094       0.32946688 
Hf       0.10618295       3.70655998       0.01899033      -1.91642633       0.69238937      -1.64754473 
Hf       1.92203995       5.39867997       7.40290002      -4.44918341      -0.79444513       2.79981839 
Hf       8.95502001       9.22573003       8.08674996       0.46653208      -2.54750982      -1.75655178 
Hf       1.91227996       1.79180003       8.01812995      -1.55915806      -1.05133833      -2.36348933 
Hf       7.03961000       7.21692004      10.46939996       3.24306254       1.10810557      -0.17740819 
Hf       9.25096999       9.08876997       2.87304003      -2.23780142       3.31947624      -1.75132659 
Hf       2.15317002       5.34281000       2.56948998      -1.12564524       2.87844089       0.89814969 
O       7.04512996       5.50552002       9.48085999       0.44329044      -2.47378549       0.44405214 
O       9.00486003       6.72649996       0.62611599       1.41083005       0.36545003      -0.62613336 
O       7.31576003       9.24797999       1.76697995      -1.40544939      -2.00007049       3.74138599 
O       5.44704997       7.83337000       6.35893001       0.69023330      -4.43141384      -5.63689849 
O       8.95273001       7.26173004       3.70597997      -0.51391663      -0.08262519       0.82160382 
O       5.20795997       6.97831998       8.99037998      -0.67790158       1.95225049      -1.31789657 
O       7.14836999       1.54107996       1.66654004      -0.88386303       0.22157554      -0.08536259 
O       7.39368004       1.35624998       9.53831002       1.72664785       0.84185742      -0.10325349 
O       8.77947001       7.18146004       8.88219002       1.59107938       0.52860207      -0.98922513 
O       3.13808999       8.90828004       3.74359999       2.45101914       1.48989595       2.08191816 
O       7.29255998       1.47988003       4.26938005       0.14676092      -0.86869698      -0.08493606 
O       7.77619000       9.20063000       4.43761003      -1.68395979      -0.36697573       0.87477816 
O       9.21018003       0.04030906       1.13663002       1.00273681      -0.96901239      -1.62298929 
O       3.15209001       8.65808001       6.57859005       1.01861564       0.64630933       0.66029886 
O       7.59238003       9.14585998      10.10650002       1.27530551      -2.66256566      -3.57387921 
O       9.43814003      10.80829994       9.11243004      -0.39650035       3.72822607       0.14737068 
O       9.61798002      10.95970001       3.51987001      -2.39734596       1.91755004       0.73953970 
O       5.23046995      10.94959995       3.72004996       0.63662800      -3.69396052       1.38831489 
O       1.69198998       3.61298003       6.13922001       3.70869645      -1.43949954       0.57429873 
O       7.27947002       1.53424998       6.88268002      -0.90614336      -0.16328708       1.44669364 
O       9.08176003       3.09109000       5.59122996      -0.74844354       1.34889567       1.91865181 
O       3.22388005       9.20551005       9.15071003       3.89274234      -1.75642879       3.22517932 
O       7.34013999       5.16301996       3.96991995      -1.29050755       3.04377623       1.50461288 
O       8.70255997       3.61057998       3.20011999       0.18893228       1.26182309      -0.54283062 
O       9.04617002       3.22076004       0.65528802       1.37119860      -0.11636280      -0.04853550 
O       7.23785998       6.31478998       1.64781995      -3.74829559      -2.47138852       1.17577043 
O       8.52761999       3.71288999       8.29522001      -0.09923536      -1.97120261       2.06334046 
O       5.35917997       7.65620001       0.68947698      -3.08980090       1.54081833       1.22867843 
O       3.83562000       5.45477997       1.64082004       0.87776441      -0.54623700       0.37957150 
O       3.34069997       9.22103998       1.42324001       2.27201106       0.51456714      -1.62966008 
O       1.65022005       7.03096001       3.71226001      -0.91380454      -0.05094230      -1.17928054 
O      10.85520002       9.35273999       4.12343998       2.72160274      -4.05159975       0.99591964 
O      10.99450864       4.82141001       7.01835997      -3.34552502       0.97822666      -1.08012243 
O       7.17386004       5.77385999       6.95587996       0.33971583      -0.62631319      -1.48446169 
O       8.84576998      10.75690003       6.55218997       0.13144676       0.95603650      -1.26038717 
O       5.69634996       3.25361003       9.34344996      -0.80820884       1.30529498      -3.52603356 
O       5.50069996       3.45368003       6.24033999       2.99867370       2.05240871       1.05336961 
O       1.55519996       7.20731995       8.74873996       1.88087408      -1.47423420       1.33691339 
O       1.55948995       7.38566995       0.94746097       3.02397312      -1.30579125      -1.21052490 
O       1.67477004       3.76014999       3.62450995      -0.35098724      -1.09453897       0.28175299 
O       0.09534936       1.41227004       6.92239995      -0.35896773       0.08437987      -0.29272620 
O       2.47973998      10.92500000       6.81784998      -1.01903548       1.35487719      -0.05965826 
O       1.99862005       0.22366196       9.46092995      -1.19189012       1.73346271      -0.39257492 
O      10.88620000       1.88386000       1.38725004       2.61479319       0.01780604       0.04817158 
O       0.11949995       1.96623000       9.29490996      -1.59869817       0.89801800       0.97658988 
O       1.16402004      10.48340004       1.15575995       0.16699485       1.43798039      -0.55889346 
O       1.74181996       0.17985002       4.24674995      -2.18010198       0.02450160      -2.34005046 
O      10.74660004       1.89611002       4.05184003       2.17070949       1.28447989       0.40743153 
O      10.42860002       5.57584004       4.35096999      -0.18879066      -3.00869750      -0.61057728 
O       5.16984001       7.19805000       3.81085997       2.13968822       3.06498229      -2.47347797 
O      10.65939994       8.04073995       1.93988998       0.19971255       1.56542758      -0.09171333 
O       1.74807002       3.87430995       0.94652703       4.86806686      -1.17784561       1.33514665 
O       3.72458997       5.48495005       6.82972004       3.68902263      -0.86508220       0.46677654 
O       3.94300005       1.94605005       7.40635996      -1.08294115       1.35298943      -0.27596668 
O       1.93418003       3.71102001       8.97228005       1.94182296      -1.60054664       0.27523977 
O       3.93173001       5.23320004      10.06170004      -0.55284539      -0.54551948      -2.35960550 
O       9.33161998       7.61579997       6.29718003      -0.33557854      -2.43302142      -0.14177303 
O       5.84991002       3.79785996       0.88696500      -0.55893934      -0.49217335       0.23506019 
O       5.54547004       3.47840999       3.53089001      -1.31916337      -2.01556045      -0.05671750 
O       3.67255997       5.50278001       4.23119004      -1.42232584      -5.68999219      -1.55042908 
O       0.13193997       9.31504998       9.59673999      -0.90412593      -1.79143557       2.19018293 
O       5.53313004      10.27760002       9.17479003      -0.31411535       1.73771204       1.63966633 
O       5.24942997      10.80219996       6.63826997       0.88656252      -0.64049990      -1.82149047 
O       4.57968002       1.40295995      10.33300003      -2.56341339       1.63681524      -1.30243356 
O       5.33429001       0.01530023       1.25434002      -0.27903265      -5.19504497      -1.06145538 
O       3.66873003       1.60347004       4.12579001      -0.54185185       2.11480294       2.46611523 
O       3.11924002       1.36924996       1.76791998      -3.28236632       0.50797524      -3.68182271 
O      10.91970004       9.43617004       6.89103997       1.00598118      -0.04167217       0.27404491 
O       1.62710005       6.85598000       6.15995999      -2.02480258      -0.29805441      -1.23274016 
O      10.64200004       4.89815001       1.54368998       0.37105538       1.76820550       1.25945553 
O      10.85059995       5.30380996       9.44052000      -1.28592452       0.71028483       1.54719243 
O       7.19984996       8.84407004       7.24782001       0.35402703       1.10718557       0.19183754 
108
Lattice="11.03337353 0.0 0.0 0.0 11.03337353 0.0 0.0 0.0 10.70406419" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.008082057890430554 -0.0017058321751289409 -0.010177961048924575 -0.0017058321751289409 0.00743354412078062 0.0006094989948813513 -0.010177961048924575 0.0006094989948813513 0.02526566992956586" pbc="T T T" energy=-1058.42264797 free_energy=-1058.42264797 config_type=crystal 
Hf       1.33065000       1.47214000       2.09362997       2.11938013      -2.14570955       2.43940713 
Hf       0.10635996       7.16770997      10.52080001      -0.60759513      -1.17808483       0.53207480 
Hf       1.52224001       8.83200996       7.45388995      -0.91675716       3.39761399       4.26030521 
Hf       7.12080004       3.52998001      10.65627236       2.71817405      -1.24570728       1.01568382 
Hf       9.28329998       5.34343003       2.66253000      -0.22401849      -1.64538061      -0.39990249 
Hf       3.70165004       7.35396997       5.46405002       0.88532816      -2.02077765      -0.91443884 
Hf       4.02246005      11.02915834       0.06490345      -0.87714867      -0.50988352       1.35897768 
Hf       7.15494005      10.97949999       5.17323002      -2.00851045      -2.68131655      -0.10732369 
Hf       5.42515004       1.84414001       2.78277999      -1.37366988      -0.59851845      -2.63427548 
Hf       5.23375002       1.67574999       7.79502002      -1.11478176       0.61821209       3.47017734 
Hf       2.12008005       9.10413002       2.60905003      -6.67384288       1.92148133      -0.02714247 
Hf       3.62228996      10.74370003       5.20480005      -1.76029853       1.78923455       0.18923386 
Hf       3.33670002       3.86069998       0.04118100       2.08493327      -2.47576455      -0.84165545 
Hf       7.34376995       0.02675781      10.56779995      -0.86848936       1.07527578      -0.70837997 
Hf       8.99336996       1.67205998       2.60765005       0.43510585       0.69469906       0.13600387 
Hf       5.43706001       5.21487998       8.17096999       0.11000363       1.36110346      -0.77426871 
Hf       3.54058000       3.60298001       4.96623996      -1.40628931       0.36642732       0.28295863 
Hf      10.72599996      10.63790002       5.01466001       1.69704988       1.46104340      -1.58478279 
Hf       9.28993005       1.57915004       7.79504004      -0.85328895      -0.19170195       2.77240986 
Hf       5.55596999       9.19345004       2.55099996      -1.45277966      -2.98116754       0.56964652 
Hf       3.54854995       7.55760004      10.49630002       2.13851086      -0.78679027      -1.34232665 
Hf       5.53143000       5.53480003       2.45576997      -0.30451991      -1.06265328       0.37363462 
Hf       8.88191005       5.39416005       7.78453999       3.90025446       0.49057006       3.70067627 
Hf      10.69819994       7.17852996       5.42395998       0.51845433      -2.44619974      -2.45034820 
Hf       5.27174002       9.19758998       7.90661000       1.46897080      -1.30190517       2.06813485 
Hf       7.28828996       3.41798002       5.48995996       2.69888502       2.79590472      -1.11168160 
Hf       7.23794004       7.09189999       4.91467998      -0.00753729      -0.92109567       1.23928209 
Hf      10.72410002      10.51770002      10.63229997       2.18779657       0.13405037       0.83877636 
Hf       0.01059943       3.41093002       5.13968005      -1.08175308      -0.98854260      -2.53769712 
Hf      10.92829996       3.46541999      10.42789998      -3.44572978       1.24448622       1.60365769 
Hf       2.08309000       5.23624997       7.97343001      -5.28005266       2.19127452       0.08580851 
Hf       8.74793996       8.86193997       7.98612996       0.66503830      -0.53631565       0.02851821 
Hf       1.69938998       1.67226002       7.92348003      -0.46857248      -1.52539054      -0.08254115 
Hf       7.34882997       7.08043002      10.59210000       0.68211659       1.43153645       0.35556178 
Hf       8.98596998       8.96896998       2.40512005       1.93856532      -2.61937135       0.81333500 
Hf       1.62231999       5.57845005       2.78628000       0.53186934      -0.59964034      -0.96487463 
O       7.10304999       5.58443002       9.36468005      -0.32533799      -2.27369347       0.84496061 
O       9.17268997       6.90675005       3.84093004      -1.45872038       0.91302318       0.80097106 
O       7.08327002       8.43237003       1.55250998       2.71388018      -0.31118403       1.08426727 
O       5.26149995       6.94820001       6.63654998       2.92483675       1.74908483      -1.71013061 
O       8.54502000       7.07619001       6.51111002       0.48737049       1.00388758      -0.50025412 
O       5.19024003       7.11605999       9.00191000       0.55568521       2.32313696       1.15815817 
O       6.81289002       1.71411998       1.29105004       0.93225832      -2.28361702       0.59140171 
O       7.59808005       1.74677998       9.53957996       2.97299650      -0.80666712      -0.27388927 
O       9.45318999       6.98636003       1.24213996       0.40683236      -0.17289443      -1.32667194 
O       3.53061002       9.09210000       4.03052995       1.49144354      -1.16137372       1.60081130 
O       7.38848998       1.59156005       3.95207002      -2.09984477       1.49083593       1.85344687 
O       7.37385002       8.97996000       4.32209999      -0.47306494       1.27173831      -1.22447314 
O       8.85007998      10.47619997       0.98439498       0.93079699      -1.03834142      -3.23969170 
O       3.66415996       9.04755000       6.81178001       0.32492336      -0.18459774      -0.43046295 
O       7.48249995       8.85764004       9.58090996      -1.36978893       2.47311566      -0.33258115 
O       9.43281996      10.68650004       8.72361996      -0.86315927       0.87956921      -0.05696612 
O       9.03693005      10.70560003       3.12860004      -0.51683136       2.76370575       4.05948691 
O       5.47904001      10.88809997       3.62170995       0.22211028       0.64616891       0.98203509 
O       1.74551996       3.52384005       6.18414999       1.48582474       0.97869471       0.02452789 
O       6.99068997       1.91573998       6.89668004       2.81033732       0.54392625      -2.40319082 
O       9.22837000       3.98154002       6.17657997      -0.95251195      -1.83666750       0.56345992 
O       3.97149998       9.30390999       9.60004005       0.57888443       0.91265774      -0.72986872 
O       7.13411003       5.26084004       4.00055996       0.25392829      -0.21099770       0.72270529 
O       8.98631003       3.54351995       3.85904999      -0.02845317      -0.38374364      -1.44316569 
O       8.93908002       2.92292998       1.07340998       0.64074563       3.17940409      -1.42066693 
O       7.24056995       5.66569998       1.36136001       1.50210412      -2.26478374       0.75739668 
O       9.26106001       3.79006995       9.09429004       0.11982024       0.04033605      -0.53776855 
O       5.11798996       7.01713002       1.28765000      -1.63932533       1.36271441      -2.18513930 
O       3.38593998       5.01177995       1.59206000      -0.89510791       0.15180228       0.06473561 
O       3.67317003       9.28066996       1.59930997       3.20061033      -1.38006468      -2.25176428 
O       1.35231999       7.38405004       3.52495003       0.29548701      -0.05642677      -0.30709625 
O      10.42510001       8.93392004       4.27239995      -0.23420375      -0.22350216      -0.18960041 
O      10.82670002       5.78376998       7.31758997       1.61174282       0.53107966      -2.24072500 
O       7.20577003       5.04359005       7.07498995      -4.96848796      -2.76411175      -4.07021543 
O       8.83774996       0.06962643       6.05611996       4.50024610       1.88674222       0.64613651 
O       5.93170998       3.31467995       9.20611004      -3.53035828       1.43904668      -3.29624204 
O       4.82051995       3.61419003       6.79821004       0.39675798      -0.88047059      -1.69903416 
O       2.01674004       7.60128999       9.13977996      -0.22092622      -0.45564968      -2.87194688 
O       1.88123995       7.11700996       0.73816597      -0.98249356      -0.18886060       3.66711625 
O       1.82747995       2.92518995       3.43896000      -0.31334181       2.36358362       1.26073663 
O      11.01536729       1.99772004       6.59742995      -1.04194662      -2.58092268       2.16733876 
O       1.82548004      10.30750002       5.89529996      -3.31260394       0.03225338       0.35648694 
O       1.39239000      10.63039997       8.42713002      -0.09980294       2.99324032       0.48836990 
O      10.57600004       1.16755004       1.20674002       1.37197889       0.22349566       0.26946559 
O      10.75580000       1.72939998       9.30717000       1.60266320      -0.08268503      -0.97001686 
O       1.80367997      10.55149999       0.90464200      -1.12272422       1.69431433      -1.80278011 
O       1.51427005      10.97060003       3.57199000       0.26773915      -1.23163802      -0.66692626 
O      10.59579998       1.55414996       3.91116005       0.48105539       0.49828898       1.05468046 
O      10.95540002       5.27942003       4.17739003       1.19727236      -0.39935530       0.39650096 
O       5.45565996       7.12307004       3.93988002      -1.34289120       0.84346283      -0.51821170 
O      10.97070000       9.19121004       1.85475004      -0.47339805      -0.31490013      -2.69892831 
O       1.63227000       2.83808996       0.59240198       1.13306281       0.63717825      -1.55258983 
O       3.35280003       5.78954000       6.76728000       1.37922798      -1.22888575      -1.27002252 
O       3.41479005       1.00496997       7.30584996      -0.93037895       0.74434322      -0.21196182 
O       2.55871998       3.51701999       8.66850003      -1.45458903      -3.34782765       0.99437975 
O       3.44126000       5.57088998       9.39463002       1.62372443      -1.53993515       3.11394382 
O       9.00837998       7.11126996       9.18467002       1.11113149      -0.76288915      -0.29514453 
O       5.53324002       3.56287999       1.12792995      -2.52130785       1.89169167      -0.62250634 
O       5.21859999       3.72125005       3.43933999      -1.19688630      -1.61224718       3.71278491 
O       3.17086996       5.50269005       4.06143002       0.74618593      -0.28930751       1.73314166 
O       0.01261446       8.79811003       9.53561004      -1.71228768       1.34972244       0.00617699 
O       5.79635001       0.16492499       9.32321005      -2.26393492      -1.82725033      -3.41886896 
O       5.27157000       0.03726312       6.29677997       2.42271688      -0.70239828       0.50730980 
O       4.01237003       1.70120001       9.86261995      -1.37411724       1.61112302      -0.51141362 
O       5.78342000      10.32250000       1.00954996      -0.31223150       2.38383367      -1.46521755 
O       3.73562996       1.67259996       4.74893996       1.26313681       0.38039566      -0.88060505 
O       3.59222005       1.18178000       1.80704995       1.57970079       0.82182063       0.53773789 
O      10.51570000       8.61787998       6.60672000       0.83831444       3.89312114       4.25027198 
O       1.80843998       7.46864997       6.19427999      -1.82327538      -2.08922345      -2.91031342 
O       0.12752704       4.64502002       1.63956998      -1.64931521       0.96152132       0.27374026 
O       0.46296797       5.32799004       9.75175999       0.52297267      -1.41495932       0.08570305 
O       7.21143997       9.63205002       6.85453001      -1.45165872      -2.07298407       2.25404103 
108
Lattice="11.04057943 0.0 0.0 0.0 11.04057943 0.0 0.0 0.0 10.71105501" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0187592143773716 -0.004247867839066149 0.010844598594457284 -0.004247867839066149 -0.0020620677939679 0.01999355450212796 0.010844598594457284 0.01999355450212796 0.004224243458639788" pbc="T T T" energy=-1054.58940372 free_energy=-1054.58940372 config_type=crystal 
Hf       1.67459998       1.51103998       2.55894002       1.67974424       0.25416589       2.99080398 
Hf      10.87000005       7.28119998      10.36309996       0.11530940       0.09851796       2.44063676 
Hf       1.97035005       9.33599997       7.74694995      -3.93449218       0.16596133       0.75767036 
Hf       7.09227005       3.14263999       0.13964602       0.14980266       0.95093000      -1.26937919 
Hf       9.28324996       5.44999004       2.56674999       1.94070474      -0.34798403      -0.82054312 
Hf       3.50875996       7.02780996       5.28027999      -1.75496400      -1.23464721      -2.03873846 
Hf       3.09021998       0.06823255      10.59369998       4.85190212      -1.18107097      -0.52456937 
Hf       7.03961995       0.03152052       5.42293003       3.55403360      -3.02778997       3.18816578 
Hf       5.43745998       1.48150996       2.99758996      -2.29298498       2.06681031      -3.25538063 
Hf       5.16134999       1.14655998       8.14897997       3.37150139       3.42348601      -0.15275933 
Hf       1.83676003       8.82543003       2.34562004      -6.28569962       1.15311092       4.88547515 
Hf       3.69803005      10.85849996       5.33046996      -2.97673653      -1.00691646       0.24608597 
Hf       3.66370003       3.86293998      10.58940003      -1.59625350      -0.81932201       0.99765914 
Hf       6.74633005      10.87099999      10.56660005       1.30629321      -0.55054061       1.24486641 
Hf       9.13083995       1.80961997       2.17145004       3.81758215      -1.45633397       3.18539822 
Hf       5.82482003       5.29850998       8.44530002      -2.15318392       1.89024350      -3.20662000 
Hf       3.68755000       3.43601998       5.78300999       1.57626231       0.43325688      -0.48586749 
Hf      10.83210006      10.91350004       4.80233001      -0.49132985      -4.23398188       3.70231226 
Hf       9.10006003       1.69085999       7.70782000      -0.08147238      -1.07960307       0.41185463 
Hf       5.20218998       9.05734005       2.65909995       4.16750803      -0.50620164       1.20496348 
Hf       3.45121999       7.59708001      10.69339998      -1.30522006      -1.92212915      -2.96027597 
Hf       5.72650996       5.15494999       2.58730996      -2.21632202       1.07547862      -0.00151600 
Hf       8.98393996       5.21792004       7.68641995      -2.12336638      -0.65884997       0.99952135 
Hf      10.81570005       6.99743003       5.54127005       2.58657676       2.17716940      -4.13992854 
Hf       5.65618997       8.82035004       7.43044995       0.50447351      -1.90383830       3.72152199 
Hf       7.15863000       3.54226006       4.83328999       2.09616912      -0.86552956       5.20876442 
Hf       7.38708995       7.33509004       5.14417997       0.24861471      -0.57876830      -1.41622675 
Hf      10.73329239      11.01520001      10.22620004       4.35178873      -0.71472927       7.91240198 
Hf       0.04342061       3.35171997       5.21203000       0.48350463       0.33589544      -0.33717818 
Hf      10.91809999       3.62408996      10.46079999       1.21312802      -1.66717269       4.89832745 
Hf       1.70849997       5.44392998       7.93133005       2.57663034      -0.73521687      -1.05491814 
Hf       9.31618003       8.89728003       7.88392003       0.09991436       3.70796371      -1.64209990 
Hf       1.74390004       1.78467997       8.08952997      -3.18275892       1.75576993      -2.13507575 
Hf       7.04430999       7.60090998       0.04236640       3.30090797      -2.23720306      -2.17581461 
Hf       8.98403999       9.06065002       2.70420999       2.49636191      -0.89285942      -0.14167526 
Hf       1.95686001       5.28918996       2.44555997      -5.56869369      -2.30422705       3.12816454 
O       7.54723996       5.81560004       9.16284002       1.57431747      -1.32039866       1.21671716 
O       9.13036002       7.17127997       3.93947001      -0.42115548       0.03521995      -0.53941943 
O       7.36177004       9.00435996       9.35234001       0.54300561       2.47050383       0.55580967 
O       5.48090002       7.31499000       5.76893995      -1.16006403       1.56289685       2.58633850 
O       9.03741004       6.78696005       6.35293002      -0.14056618      -0.02216354       1.21438691 
O       5.70340004       7.29681003       8.95448001      -1.92041984       1.06015547      -2.16226291 
O       7.30594004       2.11557000       1.87001000      -4.90634221       0.47591630      -0.61251960 
O       6.11392997       1.61438002       9.95485003       2.19316188      -0.04944123       0.75411294 
O       9.12745999       7.18066998       1.39546999      -1.78000774       0.84320049      -1.39681798 
O       3.71417005       8.78169995       3.92783995      -1.12767521       1.15099558       3.59182671 
O       7.30853005       1.53060002       4.37689997      -0.83815565       1.87272733      -1.01843724 
O       7.20517002       9.19342005       1.31161999       0.11753094       0.19367042       0.88976115 
O       8.71120000       0.77773496       0.30031602       0.01676852      -0.81461099       0.42449514 
O       3.67353001       9.14794998       6.86051996       0.14147504      -2.66106611      -1.37612193 
O       7.60734002       8.69238001       6.75569000      -2.18177359       0.05191185      -0.01172680 
O       9.70501997      10.85560004       8.84532001      -5.12341526      -2.55293025      -6.97602596 
O       9.36321997      10.99133226       3.28586002      -1.19040702      -0.29110594      -1.38619098 
O       5.51892002      10.90780001       4.03527997      -2.28314243      -2.73947142       0.13380428 
O       1.86955000       3.14357999       6.45913999      -1.05313950       0.56148979      -1.04359338 
O       7.10015004       0.97929399       7.39471005       1.63444710      -0.18088289      -0.42041690 
O       9.25607998       3.27938000       6.41584001      -2.26266915       1.51990134      -0.00300866 
O       3.20664996       9.22715995       9.37051999       0.34521439      -1.49439942       2.14843056 
O       7.30665999       5.31830000       4.19312001      -0.78949855       2.79528635      -1.70041629 
O       8.74951004       3.42488997       3.67381004       1.21377525       0.23862065      -0.98404828 
O       9.45003006       3.66156997       1.22813996      -0.68678040      -0.27604116      -1.87870563 
O       7.24371003       5.31450005       1.38736997      -0.10427053      -0.65613880      -0.34001429 
O       8.37677997       2.91714002       9.12705996      -0.01888232       1.37136263       0.38184794 
O       5.25664995       7.45571002       0.61746597       0.71431761       0.79004764       2.24290720 
O       3.62022002       5.94271001       2.04335000       4.43225780      -0.58812969      -1.74170469 
O       3.56310997       8.95003997       1.71105001       1.53157487       1.03817294      -5.09165340 
O       1.72166001       6.97887005       3.64111004       0.61229031       2.14703166       0.49921634 
O      10.89870004       8.93993000       4.27116997      -1.11012619      -1.63005078      -1.02624049 
O      10.88790941       5.10038998       6.56591999       1.43232288       1.29195074       2.10401864 
O       6.92433003       5.22117999       6.76216002       2.27098987      -0.72516120      -0.45542173 
O       9.04920005      10.68184948       6.07143000      -0.22967970       0.97806100       0.33942247 
O       5.54560996       3.96214996       9.76351995       0.60877637      -0.43047040      -0.47989409 
O       5.51481005       2.97653999       6.83426995      -1.67202513      -0.18781474      -0.93661540 
O       1.49835005       6.90843998       9.19509005      -0.68079456      -0.95243273      -0.79253305 
O       1.70259999       7.44319001       0.95512695      -0.69963299       0.44127094      -0.31848783 
O       1.91459005       3.26301995       3.38274997      -0.22169790       1.50686977       2.24529363 
O      10.92759997       1.63189005       6.87910000       2.23368265      -0.58553657      -0.09347250 
O       1.71734999      10.75559999       5.93078999       0.88737398      -1.18143922       2.29087512 
O       1.63092996       0.04742061       9.12071998      -0.03847456       0.95094988      -1.09384859 
O       0.07172060       1.71138995       1.69910997      -3.96446202       0.16024287      -4.80083349 
O      10.85659944       1.94341004       9.24346995       1.00223698       1.03905228       2.20339326 
O       1.72771996      10.74599999       0.98366902      -3.79705739      -1.33950498       1.69573869 
O       1.32457000      10.85739999       3.54753002       2.40070449      -1.30923151      -1.61887523 
O      10.79433841       1.65179003       4.32847004       0.10922947       4.88932489      -1.90874354 
O       0.00132056       4.99378005       3.83241002      -1.65161130       0.12278037       1.52643646 
O       5.61080999       7.09130996       3.31626002       1.01467470       0.87252129      -0.55408819 
O      10.49060003       9.41309005       1.32252995      -0.17469606      -0.21558892      -0.79802733 
O       1.76251004       3.78828005       1.05954999       0.62035767      -0.43477114      -3.96386728 
O       3.72802995       5.10179004       7.26669998      -0.53004150       0.74246372      -0.11717025 
O       3.43725001       1.09794996       7.28722000      -1.32689391       0.06989799      -0.94049140 
O       2.18162998       3.61869001       8.88416001      -1.55583044       0.09357104       1.22203233 
O       3.58126002       5.70639005       9.83678999       0.24552016       0.55854815       0.41790605 
O       9.30145996       7.36584004       8.94007000       2.16414925      -1.31780340       1.41755310 
O       5.06092002       3.43445001       1.24699002       0.96731898       0.82230824       2.18543814 
O       5.48370002       3.40695003       3.82586000      -0.41666159       1.20884948      -0.19225168 
O       3.26859997       5.07760995       4.75427004       1.21313620       1.44311027      -0.69583040 
O       0.54669902       9.05547000       9.58236998      -2.53856091       0.19227064      -0.24551181 
O       5.24996002      10.53189997       9.18345998       0.23598099      -1.87781930       0.57219069 
O       5.26560000      10.68140001       6.61082995       2.24834155       0.47867822      -1.56527386 
O       3.77082003       1.82537002      10.07870003      -1.63190901       0.63921675      -2.31493936 
O       5.47309996       0.09722058       1.50526001       1.42752493      -2.25684575      -1.79690399 
O       3.74117001       1.60450003       4.59530995       0.71179786       0.83061931       0.15161939 
O       3.42551995       1.15563004       1.92954997       2.78721910       0.13224683      -0.68169561 
O       0.10452061       8.70471995       6.80955001      -1.64620045      -0.58498083       1.50133164 
O       1.78848996       6.96005999       6.41000998       0.83110071      -0.17745852       0.34476432 
O      11.03739996       5.67778005       1.35200999       0.28883150      -0.03822119      -0.75335843 
O      10.29319999       5.06410998       9.48930998       0.28994851       2.02724189      -2.82655743 
O       7.31441004       9.33410000       4.22769004       0.28812922      -2.34309079      -0.56967829 
108
Lattice="11.05011678 0.0 0.0 0.0 11.05011678 0.0 0.0 0.0 10.7203077" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008262463961925764 -0.0016342670377330723 -0.012896892116477451 -0.0016342670377330723 0.009048361729783145 -0.0025743375770522292 -0.012896892116477451 -0.0025743375770522292 -0.00473817814555892" pbc="T T T" energy=-1050.83179244 free_energy=-1050.83179244 config_type=crystal 
Hf       1.75266996       1.73869002       2.50608001      -0.45685653       0.35123014      -2.95213393 
Hf      10.89459998       7.17813000      10.39179995       3.66289300       1.08582582       1.50230384 
Hf       1.58921995       8.95778004       7.94991004      -1.06187312       1.59904845      -0.25699504 
Hf       7.24977001       3.46675999       0.16923903       2.29051008       2.20743672       1.51793414 
Hf       9.41527001       5.70367999       2.24677002       0.38616726      -6.63103180       3.15767196 
Hf       3.59274005       7.11130000       5.19692001      -4.26081265      -0.82853128       1.26843248 
Hf       3.86514001      10.64150004      10.69600005      -3.16538470       0.30043124      -0.49759254 
Hf       7.29601000      10.68100001       5.10629000      -0.88163937      -0.14706173       2.55062480 
Hf       5.24351003       1.36122002       2.86211000       0.08785548       3.15481617      -2.56213348 
Hf       5.55232997       1.36202005       7.76777994      -0.88594582       2.59942262      -0.11348027 
Hf       1.91587002       9.07606005       2.60245997      -4.40958910      -2.96024503      -2.41846592 
Hf       3.41267000      10.75550000       5.42930005       4.76790383      -2.00375822       4.23570763 
Hf       3.63109998       3.62676004      10.15970004      -1.17794845      -0.48199237       0.33583492 
Hf       7.30971004       0.12434597      10.19029998       0.66306760      -5.00784429       5.02968319 
Hf       9.38373000       1.74902000       2.48439004      -1.21220846       0.49609698      -2.00633984 
Hf       5.62617005       4.95300998       7.64790000      -2.37337255       1.13099345       0.49803057 
Hf       3.40602004       3.40715997       5.33977004      -0.36872201       2.62929405      -0.96633941 
Hf       0.00773166      10.86919996       4.98229002       0.76247347      -1.78568480       1.34562384 
Hf       9.38367000       1.49192997       7.60001002      -0.62175374       1.56318927       4.71263462 
Hf       5.33780002       9.01048998       2.69982995      -1.54483089      -1.53507860      -0.52280530 
Hf       3.55665004       7.00177003      10.28630001      -2.76906792      -0.86018671       1.40550098 
Hf       5.38240006       5.26300995       2.76556999      -1.02785921      -0.30504849       0.62956825 
Hf       9.02884003       5.58574000       8.09645000      -0.36352945      -0.43673293       0.86525200 
Hf      10.73229995       7.48436001       5.52521003       5.27502249      -0.75291833      -0.07248569 
Hf       5.21736999       8.45201001       7.86348999       0.67336189       4.03218632       1.68514629 
Hf       7.43709004       3.28418001       5.01020002      -1.44260982       2.83942264      -0.71447898 
Hf       7.26358995       7.11063003       5.10159000      -3.74380314      -1.31235461       0.50012854 
Hf      11.01819896      10.78390002      10.57972566       1.19170751      -0.12853504       0.61117825 
Hf      10.81999998       3.58179005       5.46335000      -0.23180095       1.19032032      -0.13397706 
Hf      10.90850003       3.61112999      10.55280000       3.07314002       2.01128540      -0.41426099 
Hf       1.61123001       5.48768999       7.59757994       1.66554833       0.46307458       1.82301364 
Hf       8.96593005       9.29151998       7.79830999      -0.79102330       1.67572026       2.33485195 
Hf       1.69122004       1.84461997       8.05498996      -0.14693484      -1.58155505       0.14875582 
Hf       7.23833004       7.06878998       0.34594701       0.05832741       2.96564692      -3.03499780 
Hf       9.13885002       9.21164995       2.56645003      -0.40613958       2.17649710      -3.58392080 
Hf       1.53800001       5.29512999       2.68844005      -3.25849306       1.08953352      -1.71052018 
O       7.26378001       5.68614998       9.67674996      -1.33949849      -2.87301489      -3.55644067 
O       9.07335995       7.25236005       4.67415997      -1.98652196       1.00150407      -3.20567362 
O       5.36660999       0.67624195       9.76309003      -0.44726439      -1.48928444       0.01043950 
O       5.30388003       7.18270000       9.58008998       1.06914199       0.35607866      -0.38628466 
O       9.15904996       7.52556998       7.23960003       0.61701181      -3.75884753      -0.39865694 
O       6.08716999       7.34079999       2.17375004       0.79655791      -1.41799326      -3.77807986 
O       7.63567003       1.56010996       1.00457999      -0.79004759       0.22757876      -1.84990448 
O       7.56715003       1.08039003       8.64169996      -1.06584515       2.75340897      -3.20964863 
O       9.45877996       7.46950998       1.76302000      -0.72656470       1.45648598      -2.28320018 
O       3.38996002       8.55930001       3.79047996       2.88033480       3.18291511      -2.14324026 
O       6.96999000       1.85574004       3.71911005       0.44080197      -1.51169712      -1.46600365 
O       7.85204005       9.54494999       0.98748303      -0.38890696      -0.73520079       0.61546831 
O       9.88559006       0.01208319       1.57971002      -0.50096008      -1.78499196       0.38156396 
O       3.71680999       8.87902000       6.40723996      -0.71163870       0.20792925      -1.54834747 
O       7.08144999       8.80403004       6.44319995       0.70839378       1.25775952      -0.75073077 
O       9.35832003      10.76719998       9.42571005      -1.10863511      -0.53093597      -0.83616667 
O       8.82223003      10.53585683       3.97557004       1.51481484       2.87242686       1.51084216 
O       5.43907997      10.98000003       4.36946995      -1.82385815      -0.97097001      -1.57909409 
O       1.54426001       3.57880000       6.89238996      -0.89959414      -1.58072827      -1.78982172 
O       6.97184996       1.68905996       6.13571001      -0.36390958      -1.04803748       1.48021186 
O       9.24976998       3.40812995       7.22602994      -0.49498488       1.37278432      -1.01036135 
O       3.26091996       8.76710000       8.87650000       3.56868308       0.54119611       2.43963960 
O       7.31471000       5.06007997       3.65445995       0.69538645       0.95742126       1.35262370 
O       9.26502997       2.84787002       4.30153000       0.04022312       0.68856051       1.45504055 
O       9.23748999       3.54544997       1.80150997      -0.28432028       1.02699857       0.01536389 
O       7.64014997       5.39362996       1.30167005      -1.90213007      -0.86657880      -1.25616429 
O       9.13690000       3.73888005       9.98825005      -4.58903315      -0.03011343      -1.64439180 
O       5.12129000       6.77501003       4.14799997       4.35294103       0.53442684       0.57527408 
O       3.94576995       5.53634001       1.04067998       0.93411721      -0.95803169      -2.58320044 
O       3.93837002       8.62395005       0.80917504      -0.06913917       2.18259683       0.71344415 
O       1.45782003       7.07889995       4.67215999      -0.26200830       1.01950181      -1.63244026 
O      10.96690001       9.22913997       3.48965001       1.34116253       0.34561118       2.28387711 
O      10.50319998       5.52218006       5.95343004       0.33238126      -1.29048366       3.29207355 
O       7.44535000       5.28345996       6.26323000      -1.15501272       0.14380553       2.33034448 
O       8.81629998      10.97710004       6.56072004      -1.17373250      -2.36029987      -0.76885108 
O       5.93835000       3.39249005       9.25114999      -0.77415409       0.63093116       0.32042606 
O       4.96441005       3.46253000       6.63863995       2.22353754      -0.62551806       4.94190810 
O       1.53733004       6.87576002       9.10067000       1.57729539       0.88677152       4.15063187 
O       1.73235996       7.14052999       1.67619998       0.07258831       0.77524620       0.06924957 
O       1.34244996       3.86808001       4.33270005       1.97340676      -2.31537089      -0.15640416 
O      10.72520003       1.51662002       6.23165998       3.03323249      -0.02298081      -1.72979102 
O       1.92567004      10.62349995       6.72470998      -1.36902783       1.79078032       1.39109773 
O       1.83122005       0.17080099       9.35471996       0.90253221      -1.21798568       1.59975014 
O      10.78570075       2.01984996       0.74235000       0.76259997      -5.06403483       2.48297110 
O      10.98300003       1.64881997       8.99892999      -1.15304238       1.19565895      -1.34785728 
O       2.01936000      10.74930000       1.40676005       1.94520204       2.44129654       0.72817772 
O       1.97368998      10.72800002       4.35189004      -5.15356168      -0.57071131      -5.01559268 
O       0.02143502       1.22973004       3.63525999       1.27184026       1.43462702      -1.65793916 
O      10.79819997       5.57968000       3.64503005      -1.28661717      -0.50305086      -1.46483677 
O       5.12974002       7.09543005       6.59576998       3.26002811      -4.09439078       0.95878063 
O       0.38708327       9.08738001       0.95289503      -1.17457640      -0.45526154      -1.31237073 
O       1.49055003       3.49111997       1.56996998       0.96537682       0.03024601       1.06238849 
O       3.39242000       5.42927996       6.37084999      -1.24558381      -1.65230968      -0.90048258 
O       3.60490004       1.57747997       5.99847999      -0.32079163      -0.05470187       2.10749571 
O      10.84000002       5.45924003       8.73320004      -0.92146690      -0.65242093      -0.25298110 
O       3.65128998       5.42792002       8.79334000       1.21272634      -1.52612560       0.54839991 
O       6.97609000       8.89317995       9.33032997       0.73231105       2.18416519      -1.77333503 
O       5.64481005       3.36168995       2.05988997       0.54614964      -0.82845258      -1.60642878 
O       5.16666001       4.00276005       4.61779002       0.08358892      -0.15300132      -3.55402985 
O       3.14518004       5.69433005       3.39396998       5.16559469      -0.97034087       2.65461081 
O      11.04608459       8.90414996       9.25552999      -0.69012716       0.97635168      -1.27039110 
O       3.48221004       2.24551003       8.66621999       2.20002512      -0.01588805       0.29138608 
O       5.07740004      10.66389995       7.21914997       1.03040558      -0.15573033       0.32705838 
O       1.66660005       3.87432995       9.31391997       0.40693490      -1.30662034       2.00417986 
O       5.28019996      10.64090002       1.37248004       0.36439739       1.76468845       3.03341806 
O       3.32561000       1.71214001       3.65526001       1.79873353       0.79373659      -0.89961540 
O       3.61835002       2.09555000       0.82179102      -0.16233125      -1.40816054      -0.04228830 
O      10.79529998       9.45358000       6.64425996      -0.92253869      -0.90142831      -1.43911693 
O       1.48725997       7.37840000       6.87017994      -1.00669079      -0.54808426      -0.30275342 
O      10.97920000       5.39223996       0.91084805      -0.73160144       0.76903949      -0.69744576 
O       9.10626002       6.93945002       9.80239004      -0.66436996       1.05508280       0.39131939 
O       7.03126003       8.89516002       3.73862005       0.88384866       0.58925388       1.38395592 
108
Lattice="11.06128313 0.0 0.0 0.0 11.06128313 0.0 0.0 0.0 10.73114078" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0163287715725979 0.0009319229419628292 -0.007071808190749004 0.0009319229419628292 0.003338644504330044 0.004233073483879413 -0.007071808190749004 0.004233073483879413 0.027362724671459643" pbc="T T T" energy=-1047.17356219 free_energy=-1047.17356219 config_type=crystal 
Hf       1.34005996       1.34710003       2.16169001       1.37171887       1.76022917       2.04558762 
Hf      10.54890005       7.10898999       0.05296279       4.45325809       0.09995847      -1.54178252 
Hf       1.84125997       8.88177996       8.01841999      -0.87255795      -3.51990524       0.88861220 
Hf       7.02108000       3.35357995      10.24120003       1.19071030       2.89235164       0.64415784 
Hf       9.19078996       5.08148998       2.63433002      -0.87257089       0.66019860      -1.49118086 
Hf       3.68146005       7.19637999       5.02881002      -2.42129893      -1.61798427      -1.30318306 
Hf       4.10031999      10.84109999       0.03859015      -3.09984191       0.99996186       2.51376669 
Hf       7.42233999      10.55280004       4.93114999       0.89943486       3.56814775       1.33586906 
Hf       5.43992002       1.55754005       2.37015004       1.59827201       1.61110963       5.03562724 
Hf       5.44340001       1.89838995       7.93626002      -0.88937186       0.72127810      -3.36922036 
Hf       1.82845001       9.20715999       1.98881005       1.17172544      -2.33065999       1.41744648 
Hf       3.72759998      10.74660002       5.46236002       0.95449043       2.55291844      -0.22524857 
Hf       3.77867999       3.40990002       0.08875920      -0.83829918       0.29315673      -0.54895658 
Hf       7.84389003      10.77889996      10.56987781      -5.32427970      -0.93189651       1.47782190 
Hf       8.92760995       1.85967004       2.27789002      -0.00136800      -1.96467948       5.50505639 
Hf       5.52758998       6.12634995       7.80275003      -1.29205428      -5.61119894       3.11429059 
Hf       3.61088000       3.23347001       4.80273998       2.65831886      -0.05822615       4.21271050 
Hf      10.84820001       0.21237000       5.37642000       1.92333757      -0.15944223      -1.00618486 
Hf       9.08933996       1.93448004       7.80915996      -0.94741704       0.03345722      -1.23159653 
Hf       5.64467997       8.93361003       2.57951996      -1.49076690      -0.35549926       0.93960138 
Hf       3.65381005       7.26546998      10.67240002      -2.44126859      -2.30452478       0.12078244 
Hf       5.65693996       5.40495995       2.70930002      -1.35143654      -2.27156712      -0.08019956 
Hf       8.83875002       5.24563997       7.94607998      -1.16227083      -0.16370005       0.56340817 
Hf      10.97531086       7.17033001       5.80581995       1.73564458       0.52626725      -0.71351442 
Hf       5.41624998       9.34299000       8.45416000       4.36044876      -2.27231266      -1.90739486 
Hf       7.08933995       3.35939000       5.41349996      -1.67633243      -0.87389654      -1.44798555 
Hf       7.39397997       7.14537000       5.12532000      -3.87050980      -0.64531782       2.13293955 
Hf      11.01248053      10.75070000      10.30070002       4.60903804       0.62181822       0.02351327 
Hf      10.96390004       3.74866996       5.19488999       1.39145911      -1.52729511       1.15501234 
Hf      10.91359996       3.61711004      10.48639994       1.02883059       0.54966262       0.01389395 
Hf       2.00246999       5.05420002       7.84221005      -0.26138713       1.10910722      -0.48603025 
Hf       8.95981001       9.22326002       7.88523999       1.17103953      -1.85761856      -1.59688966 
Hf       1.83747005       1.71778995       7.75879002      -1.47470978      -0.80334899      -0.68657764 
Hf       7.31021000       7.11374004       0.24020897      -1.38241069      -0.15745523      -1.75191431 
Hf       9.39915002       8.69179003       3.10077000       0.77497637       1.00921640      -4.69368180 
Hf       1.91712002       4.89906000       2.55985000       1.18274400       1.98184415       1.28643824 
O       6.95354003       5.18103998       9.08990004       1.14590736       0.45243542       0.10517743 
O       9.06804998       6.98036994       4.43703998       5.58699790      -0.22015946      -1.00908848 
O       5.83837000      10.51309999      10.13669997       3.41608232       0.65615791      -1.51643434 
O       5.84601003       7.45467998       9.58928001      -1.08653729       1.33981633      -0.69504017 
O       9.33354997       7.30535000       6.93739996      -2.54040635       1.08668822       0.76749170 
O       5.21695995       6.99782000       1.37244004       2.95293437       1.02957886       1.29337405 
O       7.50037005       1.67034999       9.05200999      -2.35940597      -1.75352273       0.78305497 
O       7.07527000       1.30709004       6.19505999       0.26156009       0.50906793       0.02883416 
O       7.40830997       9.05526999       1.29985997       0.03700512      -0.01531128      -0.45508251 
O       3.29790000       8.36946999       3.52238997       0.58576566       0.80232739      -0.04286033 
O       7.08400001       0.64371900       3.39692995      -0.16342369       2.68545920      -3.14728272 
O       5.15871001      10.66740002       1.88050000       1.56592066       0.93309128      -0.50728178 
O       7.70113001       1.70181004       0.85524799      -2.05792891      -2.28323591      -2.08401259 
O       1.87142995       0.47274796       5.63598001      -0.56085692      -1.02355934       0.74024246 
O       7.40325994       9.44473003       6.59616997      -1.01911207      -3.28913474       2.29381966 
O       9.23360000      10.97470005       9.30169005       1.62064049      -0.04640051      -0.79686078 
O       9.29457001      10.82849998       3.88383003       1.60069635      -0.87005046       0.68064723 
O       5.60326995      10.07020002       4.36564001      -3.25816333      -1.80064801       0.85102234 
O       1.61958002       3.55274997       6.10589001       2.40268376       0.55221759       2.25521225 
O       9.21347001       3.28226001       5.51231005      -2.49523454      -1.60153180       0.04610655 
O       7.72483003       3.41503998       7.33563002       1.86593224      -0.44074074       2.27291655 
O       3.76738996       9.40029995       9.33813000      -2.88063970      -1.32515806      -1.03354599 
O       7.42184002       5.65826001       3.58572001       0.09101103       0.25791966       1.37379563 
O       7.72626999       3.24563997       3.26040999       2.82501636      -0.33139280      -0.22104477 
O       9.53574005       3.43143999       1.43188004       0.56453278       2.33740180      -0.41406367 
O       7.28438002       5.38671005       1.21769002       0.79880853      -0.44161069      -1.13741536 
O       9.04895002       3.63598004       9.49241998       0.55121177      -0.65412422      -1.13997677 
O       5.52711998       6.99106997       4.08900998      -0.06053406       1.17723897       0.33289380 
O       3.30034996       5.37169004       1.27375003       1.14114681      -1.46566635      -1.71639103 
O       3.79895997       9.04106996       1.07129000      -0.90245317      -0.34511335      -0.19983854 
O       1.65258999       6.22742000       4.32792005       1.18127070       1.25304240       1.71508395 
O      11.02445204       8.43581999       3.77921997       4.15737840      -0.82302395       4.34419357 
O      10.48019997       5.17593995       6.78692995       1.76519241      -0.71596054      -2.15658805 
O       7.00426995       5.45590003       6.36815995       0.97541696       1.34340922      -0.41235964 
O       4.89649002      10.85180001       7.35659996       0.15877283       1.14636356      -1.18256054 
O       5.24696003       3.43237002       9.48818998       1.46384069       0.06927858      -2.61287241 
O       5.24871999       3.29797997       6.35490001       1.94269281      -0.11194192       1.15069865 
O       1.92962005       7.42441996       9.57273999       2.36059008       0.45771244      -1.32910349 
O       1.69945001       7.34605995       1.16193004      -0.62895793      -0.00404948       1.08073558 
O       2.76080004       2.94451998       3.17199998      -4.19142414       0.16844078      -2.98228903 
O      11.03679998       1.76782998       6.77223000      -1.80254411      -0.18316410      -0.45753616 
O       9.16954001      10.77796717       6.66613003       2.70743025       3.41715234      -0.55881556 
O       1.39934999      10.74734312       8.20698996       0.75803712       3.28582644       1.88693983 
O      10.66930002       1.24916995       1.12614995      -1.84727748      -1.24970714      -0.35769661 
O       0.22570504       1.76304995       9.34328996      -0.71744138      -0.02697418       0.26276162 
O      10.96180005       9.36509000       1.46291000      -3.68267229       0.23114604      -2.59696422 
O       1.49435004      10.72960005       3.18559999       0.43408033       0.39114298       1.70455433 
O       0.14541683       1.71523999       3.80640002      -1.70175150       1.64478973       1.29542287 
O      10.93699711       4.99661001       3.76639004      -2.15574278      -0.60113786      -2.84434636 
O       5.54558005       7.69449003       6.78651004      -0.68241942       2.22790683      -0.50727144 
O       9.33273000       7.07098995       1.69323000      -1.84562593       1.17654839      -0.20619578 
O       1.47487001       3.40654005       1.09913001       0.12005760      -1.10808680      -0.28992922 
O       3.67612995       5.31289003       6.78345005       0.93274010       1.82548517       0.05095798 
O       3.57447997       1.89371999       6.82062004      -0.20101606      -1.37885111       0.86737887 
O       0.16156995       5.20621004       9.40162004       1.13691823      -0.17485098      -2.03301997 
O       4.35163002       5.68862003       9.45758005      -2.82840483       0.01153385       0.01763799 
O       7.57279004       8.99185001       9.50971998       2.65087936       1.35547337      -1.81919217 
O       5.60232001       3.41141000       1.15170005      -0.76403688      -0.36667195       0.40816919 
O       5.37619995       3.56446995       3.88599998       3.08985036      -1.03802315      -0.77629390 
O       3.79764003       5.06333001       3.82799000      -1.47009792       2.90538044      -0.15797185 
O       0.08481681       8.86845001       9.45001996      -2.17455130       1.20777228       0.90211830 
O       4.26712004       1.53182002       9.62854998      -2.15460708      -2.11544759      -1.02195244 
O       3.26869998       8.93958003       6.16963996      -1.01792174      -0.67043659       1.25001459 
O       2.24332998       3.53824995       9.11569996       0.74716521      -1.57528944       0.05085202 
O       3.85558003       1.34471997       1.25604000      -2.66906623       3.41077606      -0.29880130 
O       4.29835998       1.30778004       4.09292996      -0.05437343      -1.07916437       0.71271579 
O       1.71958995      11.01869996       0.79177200       1.33069284      -1.74625782      -3.63676802 
O       0.10901691       9.09150001       6.89817002      -0.74107233      -0.65726187      -2.68120933 
O       1.48306996       6.90466000       7.25253000      -1.08081203       0.84544500      -2.39041735 
O      10.78167413       5.41807996       0.89972503       0.07206118      -1.85689341       2.88063878 
O       9.10876003       6.57599001       9.35558002      -0.73480619       2.55421361       3.64668848 
O       7.62511997       8.82541000       3.82671997      -3.27289704      -0.92183993       1.02922903 
108
Lattice="11.06776304 0.0 0.0 0.0 11.06776304 0.0 0.0 0.0 10.73742729" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.004722254227016618 0.008270682668795564 0.009239047067487955 0.008270682668795564 0.01588631328753939 0.010687721533128991 0.009239047067487955 0.010687721533128991 0.011252485204158086" pbc="T T T" energy=-1053.89048191 free_energy=-1053.89048191 config_type=crystal 
Hf       1.65665000       1.78723997       2.54231000      -0.88283454       0.00459211       0.03820142 
Hf       0.16111298       7.16056998      10.58349532       0.59157347       0.83342671       4.33900275 
Hf       1.60788997       8.93784996       8.17287997       3.01587551       0.91846915      -1.54111742 
Hf       7.48274005       3.03400998      10.32819999      -2.38330574       2.06283044       0.04908891 
Hf       9.49796001       5.51971002       2.45070998      -1.91038195      -6.18247908       3.78782185 
Hf       3.37483001       7.17917998       5.66358004      -0.18966951      -1.83669922      -1.15534001 
Hf       3.83833996      10.92470102      10.09049998      -7.33469498       2.69111669       4.40753272 
Hf       7.09710997      10.56600003       4.84500003       1.36010072       2.02628792      -0.98686093 
Hf       5.24810004       1.86632999       2.16465997       0.25126296       0.58705764       0.22420535 
Hf       5.64661001       1.52674003       7.77028003      -1.93153478      -1.05977925       4.24107441 
Hf       1.65684999       9.24405003       2.75655002       0.93206745       0.76323329      -0.23215102 
Hf       3.55270003      10.76899996       5.24399005      -0.16753831       0.03496675      -0.75582020 
Hf       3.72017996       3.90508997       0.12740795      -0.73486121      -2.11287098      -1.06318511 
Hf       7.37942005      10.65380004      10.65609998       0.91281240       4.31153310      -3.11136351 
Hf       8.94427004       1.74173996       2.57545998       0.20873842      -0.12277807       0.89468064 
Hf       5.41173005       5.25208000       7.51983995      -2.31948078      -2.14995670       4.16192197 
Hf       3.51940001       3.31018996       5.12443997       0.01852333      -0.37038847      -0.69773971 
Hf      11.02292742      10.83970005       5.49369000       1.11919119      -0.01457821      -2.36640207 
Hf       9.25004997       1.34492999       8.11133003      -2.14463741      -1.36855854       0.80457037 
Hf       5.52873999       9.27120003       2.14458002      -2.71211664      -1.86506172       1.52650195 
Hf       3.82173997       7.26907003      10.65870004       0.26711711      -0.41178811       1.73047672 
Hf       5.12955002       5.62073004       3.04577004      -0.28747905       0.61718691      -0.05758320 
Hf       9.45821003       5.31190005       8.26991002      -0.21099337      -2.65781877      -0.50235957 
Hf      10.64989998       6.98447999       5.62590005       1.76289653       2.67428631      -4.30439535 
Hf       5.38563005       8.96365998       8.12980002       0.00206965       1.13575601      -3.88174277 
Hf       7.21200995       3.56218001       5.33397001       0.78976518      -0.18274575      -2.07380703 
Hf       7.40536001       7.17636002       5.14368004      -0.05641483       0.22787624      -2.31071532 
Hf       0.05403691      10.82700001      10.61782330      -0.41348079       0.71069240       1.11533365 
Hf      10.66499995       3.39392002       5.43211998       0.10526658      -0.72877501      -4.17651191 
Hf       0.20574805       3.53126000       0.08978851      -0.39321216      -0.20919296       1.47270720 
Hf       1.97511005       4.91219000       8.19048999       3.43824491       2.75199677       0.86242913 
Hf       9.31032003       9.04834995       7.65561998      -0.80035588       2.21767359       2.58185112 
Hf       1.52614004       1.65432997       7.92052004       4.34607755      -2.02183052       1.36765795 
Hf       7.64596997       7.08042000       9.89607996      -1.10143958      -1.25990887       1.85954152 
Hf       9.27134003       9.04953996       2.43850002       1.39297903       1.58279206       1.98866047 
Hf       1.70252001       5.61529001       2.83760997      -0.85801310      -0.25490992      -0.89184452 
O       7.53642003       5.71935996       8.46043998      -1.49785228       1.49556057       0.11507095 
O       9.36063995       7.45549996       4.14592995      -0.21892989      -0.58716570       1.45259270 
O       5.56326001      10.96320002       9.69234995       5.03583661      -2.16416114      -5.22822818 
O       5.52774998       7.77617003       9.62967000       2.22280381      -2.53445112       3.76486740 
O       8.84924997       7.28734999       6.73600003       0.91568983      -1.44592470       0.59006812 
O       5.37854004       7.19444995       1.77462003       1.68977361       1.31574305      -1.17185611 
O       7.38278996       1.20328000       9.19084005       1.22166742       2.51257746       0.64180699 
O       7.28836003       1.14157003       6.83791002       0.99724901       1.06386779      -3.60023930 
O       8.00091003       9.13105005       0.84120205      -2.38586462      -2.57942591      -0.85776355 
O       3.52800995       8.63062004       3.32166995      -0.32187802       1.17582836       0.49270914 
O       6.97264999       1.84899001       3.36542002       0.09535937      -0.45257490       3.30146759 
O       5.58655998       0.05663695       1.10961003       1.32938748      -1.64897835       2.27154846 
O       7.31988002       1.98822004       1.19588000       0.85850991      -1.46359962      -2.16397143 
O       1.50932999      10.95219999       6.90819003      -0.91299604      -1.30875881       0.29683613 
O       7.20827004       8.99443999       5.96410002      -0.71898687      -0.04039060       1.49794382 
O       9.13449998      10.63909994       9.31237999       1.38845396       1.75635817       1.17757373 
O       8.83256997       0.09463701       3.88343002      -1.24559439      -1.71397008       1.97709246 
O       5.29526996      10.50160003       3.63280999       0.11750738       1.53809244       3.60129745 
O       1.72099000       3.40490997       7.12178001      -2.54197494       0.08644696      -4.35942861 
O       9.14947998       3.30041004       4.10711995      -2.26663140       1.36147530       3.68233264 
O       8.58260000       3.66876998       6.90375998       1.12604958       0.01417829      -0.64733249 
O       3.46237004       9.32278997       8.79293000       2.90937800      -0.53051316       0.07875336 
O       7.64534995       5.51387997       3.81296995      -1.04758977      -0.81152637      -0.53365220 
O       9.67410999       3.49344998       1.61410000      -0.36629395       0.22942724      -0.37134284 
O       0.32216996       1.76139000       0.84138598       0.45739754      -0.68124251       0.25801338 
O       7.97481999       4.99868999       0.00422153      -0.21979917       3.22894236       0.29556758 
O       9.37316998       3.06821003       9.61939997       0.54254591       1.41773224      -2.12942289 
O       5.42283998       7.07712004       4.61221003      -1.09088301      -0.77742564      -0.61481177 
O       3.60618997       5.70076003       1.42640998      -0.93336444      -0.05195549      -1.13581167 
O       3.88033005       9.20428001       0.64872497       0.40269594      -0.40404759       0.04407897 
O       1.33692003       6.99199002       4.73615001       1.84487710       0.89370749       0.94003855 
O      10.95029999       9.44851002       3.64218000      -0.86130764       0.34974996       1.34049701 
O      10.68039997       5.34502996       6.63550995       0.41699304      -2.71318035       0.87296285 
O       6.61956001       5.51189995       6.12246000       1.84947110      -2.01297202      -1.75647348 
O       5.06972997      10.58514106       6.98060002       0.01483899       2.16770439      -1.83708742 
O       5.63982004       3.26587994       9.29850004       1.54558738       0.43398583      -0.82433169 
O       5.31556004       2.99845003       6.59084000       1.77558409       2.73592404      -3.22617799 
O       1.94853004       7.43860004       9.80007995      -0.35452281       0.75964627       1.50554548 
O       1.34291002       7.40233995       2.03599005       0.90472042      -1.00157721      -0.90642163 
O       1.79463999       3.42351001       4.10231001      -0.83345126      -0.40846305       0.67008455 
O      10.77769999       1.61638005       6.52655996      -0.57197419       1.61787587      -0.47927505 
O       9.05579004      10.74269996       6.69305000       3.03147911      -0.74130583      -0.74798691 
O       1.80501004      10.78839997       9.60132996      -0.61650815       0.01731505      -0.08723969 
O       9.54137995      11.05799994       1.46651997      -1.03535681       0.15248620      -1.02015150 
O      11.04923217       1.44791996       9.15956997      -0.89445039      -0.53010569      -0.91807909 
O      10.99921529       8.95435000       0.88257497      -0.37029847       1.01914948      -0.71209847 
O       1.78621997      10.93100002       4.35866995      -0.94238167      -1.10246025      -0.15195800 
O      10.70810003       1.74944998       3.71766004       3.96516657      -0.75297952       0.74566160 
O      11.05010000       5.21435996       3.79228000      -2.22539862      -0.51173806       1.53265646 
O       4.78731995       7.11911999       7.37796997       1.97462675       1.25541885      -1.18621271 
O       9.36799005       7.16672996       1.73830004      -1.12207604       3.63970523      -3.74248178 
O       1.97396000       3.72800000       1.28273999      -0.98311505       0.27402883       1.97766159 
O       3.67029003       4.85999996       6.63633995      -0.14390993       0.10389442      -1.31953213 
O       3.02078998       1.52873997       5.79601998       1.36339463       0.69877734       0.53994409 
O       0.39232697       5.46692997       9.30237003      -2.36210447      -1.53639259      -0.07803112 
O       3.90525997       5.39974997       9.38938002      -0.45340636       0.40041331       0.33869741 
O       7.48505997       9.18215002       8.59829995      -1.73076879      -2.55184018       1.78581755 
O       5.30854994       3.66207000       1.19714004       1.18258271       0.47366046       0.52878642 
O       5.29035996       3.58888995       3.58379997      -1.18223228       1.54758627       3.39793929 
O       3.26005996       5.51171002       4.02219001       3.09565070       0.18423659       0.88545088 
O      10.97069998       9.25813995       9.01494005      -0.64940621      -1.33211113       1.17084505 
O       3.57220995       1.79997000       8.37170996       0.21769466      -2.99910782       0.20663246 
O       3.16663000       9.00075005       6.16323001      -0.53050375       0.95196614      -0.03646721 
O       2.00661001       3.35157996       9.50958004      -1.30149758       0.92792406       1.00701440 
O       3.57557001       1.81903002       0.45395405       1.15690188      -0.97338017       0.72059518 
O       3.54488995       1.54972002       3.29769005       0.97433744       0.59910005      -0.28804154 
O       1.68115004      10.99330002       1.75368000      -0.24921966      -1.10631517      -0.73671949 
O       0.12033691       8.90657003       6.67642996      -1.31416023      -1.82753939      -2.88300320 
O       2.49986003       6.83244998       7.54787000      -3.32986060       1.23574545      -1.52086781 
O       0.01238140       5.47000005       1.31389001       2.30511509      -0.05128092      -4.29651368 
O       9.66083996       7.08522994       9.25832005      -2.55185113       0.95888106       0.50472132 
O       7.35508005       8.99912995       3.52191996      -0.23304349      -0.58790577      -1.98648081 
108
Lattice="11.07325239 0.0 0.0 0.0 11.07325239 0.0 0.0 0.0 10.74275279" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.016532789279357835 -0.0053999487682450656 0.002058218468044694 -0.0053999487682450656 0.015228514168317591 -0.00902901066723642 0.002058218468044694 -0.00902901066723642 0.02392648120209045" pbc="T T T" energy=-1053.11160029 free_energy=-1053.11160029 config_type=crystal 
Hf       1.88521004       1.78506000       2.50388000      -0.75845237      -2.10351912       1.34292196 
Hf      11.02576054       6.88736001      10.40460005       1.62567598       0.52202579      -0.76890682 
Hf       1.73841005       8.50726002       7.92309999       1.34158333       3.72435018      -1.42853322 
Hf       7.21843996       3.79108996      10.51310002      -1.43030245      -0.88868161       0.16337589 
Hf       9.07304995       5.15508998       2.93022999       0.93713478       0.95973577       0.04375226 
Hf       3.74404004       7.06998995       4.97858998      -0.60535490      -2.08482749       0.40520562 
Hf       3.44593004      10.76280003      10.39290001       0.41674752       2.52537820      -1.45529013 
Hf       7.25261999      10.96240005       5.36060002      -1.72112714      -1.32135544       0.25825074 
Hf       5.55211003       1.62825001       2.42630003      -1.68841921       3.23163110       1.32167951 
Hf       5.36688996       1.44717000       8.17561001       0.40636879       1.16053302       0.28983187 
Hf       1.44866002       8.91034002       2.27641005      -0.54684982       1.41310005       2.98375673 
Hf       3.41172996      10.75929999       5.23170997       1.53105554       0.11428569       0.89173135 
Hf       3.52898995       3.35321004      10.51569998       0.69676556       1.44655092       0.73568894 
Hf       7.13997002      10.95460005       0.07152213       2.05497071      -1.37233031      -1.42900834 
Hf       9.13601003       1.92300006       2.34630004       1.43176477      -0.04940757       0.89453304 
Hf       5.73509996       4.87708999       7.66902003       0.20590636       1.92053462       0.55385130 
Hf       3.56630005       3.25052999       5.47575996       0.48449198      -0.75917780      -4.17932984 
Hf      11.05342163       0.09062693       5.48335004      -1.15353696      -1.92325413      -3.52907536 
Hf       9.12012002       1.71632998       8.04118004      -1.20324567       2.23303981      -0.20613595 
Hf       5.19154999       9.44228002       2.75701997       1.44476162       3.95410808       3.21115551 
Hf       3.55315998       7.28549006      10.73367860       1.83384785       0.34171240      -0.48822047 
Hf       5.62128996       5.81883999       2.56785997      -2.59969594      -2.00872800       0.69383846 
Hf       9.27034995       5.36366997       7.33572000       3.17696284      -1.36612795       1.26180556 
Hf       0.32502698       7.16890000       5.30918005      -5.04663338       0.36385932       1.77478612 
Hf       5.47822996       8.82403997       8.20586998       1.82845194      -0.38876872      -0.67194669 
Hf       7.30158005       3.24895005       4.87402003      -1.67568405       0.81800780       4.01452003 
Hf       7.41455003       7.68464005       5.48778003      -1.35785178      -1.65149738      -0.82639547 
Hf      10.85390001      10.79719997       0.08654501       0.01739487       2.23927067      -0.36011814 
Hf       0.23248404       3.54639001       5.15509997      -1.16216221      -3.03149837      -0.99070407 
Hf      10.72699998       3.69591004      10.49279998       1.39868570      -2.94812871       0.65692973 
Hf       2.09997001       5.15671996       7.89959002       0.71176777       0.68142389      -0.84566211 
Hf       9.16244996       9.10322999       8.19919003       0.06857236       0.04001708       0.02389355 
Hf       1.79344001       1.58438000       8.05075999      -1.07848071      -0.14942590      -1.18468663 
Hf       7.53369003       7.13159001      10.70229741      -1.69964266       1.87516608      -0.62542858 
Hf       9.01990997       9.10217006       2.60789004      -3.37119110       0.65002864       0.35324849 
Hf       2.04427996       5.21592000       2.32656001      -2.81612981      -2.28427716      -1.54217885 
O       7.01523006       5.39053999       9.28570002      -0.08995937       0.49455051      -1.92693117 
O       8.84726002       6.51529995       4.56361001       0.06005988       0.27902392       0.24987348 
O       5.59982003      10.56650005       9.48223997      -2.63619151       2.38586598       2.09596386 
O       5.63271002       7.57454004       9.95888001      -2.75122110       0.40546845      -0.11851631 
O       9.56019997       7.36617996       6.92396995      -1.92975694      -0.22745388      -0.01452004 
O       5.10331001       7.81845998       2.13741000      -1.68789277      -8.69872011      -4.73945999 
O       7.45595004       1.95064997       9.13412998      -0.76594531      -0.91086659       0.59401097 
O       7.58430997       1.43281995       6.32887000      -0.02355481       2.06542137      -0.59560116 
O       7.28599998       9.05240000       0.85241101       1.25497584       0.16874108       1.18206174 
O       3.44047004       9.08511005       3.66400996       0.11266069       0.75214696      -0.61469718 
O       7.47371995       1.64036005       3.58803002      -3.80630481      -1.68349126      -0.13498331 
O       5.43922996      10.98669997       1.54751997       0.71663655      -0.77129705      -2.34800798 
O       7.02675000       1.87183000       0.93814602       0.51277019      -0.71650809       0.48845791 
O       2.34312003      10.56020004       7.24010005      -1.02624484       0.85582095      -0.25168784 
O       7.51390999       9.35330002       6.85743997      -0.05909028      -0.40968831      -3.78642880 
O       8.99213005      10.91600003       9.44706003       1.99417794       0.12381224       1.18036846 
O       8.91644006      10.31159998       4.48030996       1.59227512      -0.64011371      -1.79008970 
O       5.38767999      10.79400002       4.27539001       1.96392992       0.14671055       1.72072120 
O       2.09942000       3.47521004       6.70510999      -2.46009920       0.69557827       2.77482237 
O       9.07907003       3.25033997       3.99916999       1.32368470       2.71062763      -0.59715466 
O       9.74571006       3.25218998       6.53571000       0.06778769       1.07446036       1.15878158 
O       3.56651997       8.85044004       8.95825994       0.36481503       1.26725611       0.92565164 
O       6.90273002       4.71189002       3.44409002       4.17275024      -0.53264310       0.65642528 
O       9.10417996       3.74856003       1.35228000      -2.21257974      -0.48342239       0.25009118 
O      10.54539997       1.81431996       0.99277001       0.98942256      -0.08081653      -2.78106008 
O       6.59425003       5.66609001       0.90184905       0.54695761      -0.72917806      -0.97188966 
O       9.04538996       4.12519002       9.56292996       0.30500536      -0.45593354      -1.23207518 
O       5.65780002       6.91405995       4.55791002       0.61886533      -0.53389331      -1.08276908 
O       3.32058004       5.37045001       0.53945700      -0.21979787       0.17644343       0.65983996 
O       2.85456000       9.30948006       0.74569895       0.50151898      -1.26850950       0.92669068 
O       1.78181996       7.53899999       4.31267005       2.26213294      -0.43193009      -3.04988066 
O      10.67769998       8.24266000       3.09370998       0.70282931       0.52331559       1.18723015 
O       0.30271205       5.22827000       6.14852002      -1.58143585       1.50404557      -0.53463286 
O       7.66035996       4.69675001       6.57224997      -1.40630868       0.78795415      -1.28999525 
O       5.37652003      11.03173234       7.00639995       1.29064597      -3.73851549      -1.02097652 
O       5.39836003       3.22088002       9.59629996      -0.11508970       0.10630358       1.87166902 
O       6.00869998       2.99326002       7.22027000      -1.27592986       0.83078328      -0.81522281 
O       2.10597005       7.07956997       9.41504996      -2.14142750      -1.46055962       0.62883592 
O       1.81804002       7.06623999       1.60106002       0.48333582       0.58063754      -1.10547549 
O       2.04762995       3.29869000       3.84137002      -0.49367418      -0.02413048       0.62014921 
O       0.77805898       1.65739005       6.05894996       1.77787387       1.36294569       2.76191975 
O       9.63994001       0.39424300       6.83267997       1.11172993      -3.52475007      -0.38373902 
O       1.53494003       0.35803900       9.79085003      -0.88809644      -2.05498942       1.00867326 
O       8.90612997      10.97460001       1.54767004       0.29042337      -1.02816685       0.31178504 
O      10.85039997       2.08183999       8.85626997       1.55042042      -0.20599950       0.57572175 
O       0.05709446       8.90975004       0.67254703      -0.76714323      -1.50419564       0.14857842 
O       1.85811002       0.00178313       4.10352004      -1.25236032      -0.62513637       1.06234474 
O      10.95270000       1.73956000       3.82289001      -0.75340973      -0.47315110      -1.73249214 
O       0.04659968       4.95866997       3.36694996       0.43990276       0.42779582       1.47422138 
O       5.96484005       7.03665005       6.98798000       1.53487700       0.69303689       1.16831393 
O       8.60482999       6.67853996       1.72343996       0.76401552       2.17656494      -0.21430370 
O       1.63858999       3.22378000       0.91416701       1.29167319       0.42663408       2.85883297 
O       3.71974001       5.28507999       6.18517999      -0.13676356       0.35210460       0.58508089 
O       3.76607005       1.52179996       6.45741005      -1.30949726       0.63092321       0.78836807 
O      11.02426421       5.76849999       8.55915003       0.95950152      -0.47118600       2.60600770 
O       4.08739004       5.12260006       8.76242998      -2.83776815       0.08004903       0.04253162 
O       7.40370998       9.19119004       9.10722003       0.32915711      -2.10423807       0.47343386 
O       5.18711006       3.92068001       1.65707005      -0.93362920      -3.70722675      -0.30941342 
O       5.30122003       3.74060999       4.95425002       2.98840333      -0.93072200      -1.00948134 
O       3.55743005       5.13974998       3.40764996       1.98822495       3.00484225       0.44336672 
O       0.15575504       8.93793003       8.97466004      -1.29128091       0.38568164      -0.09262655 
O       3.41272999       1.60788995       9.36784995       1.93796801       0.14941970      -3.25597433 
O       3.80121999       8.45227999       6.18135997       0.47047850       3.38943828       2.40107672 
O       1.64287999       3.72104998       9.25254004       1.06254336      -0.32293301       0.54440166 
O       3.51731996       1.37863997       0.96953999      -0.11723558       0.29466330       1.21270590 
O       3.86329997       1.37859999       3.73279001      -0.61895732       1.79898792      -1.39051259 
O       0.66987098      10.92569997       1.92485003       1.61272530      -0.52861588      -0.77144535 
O       0.11427596       9.27882996       6.21948998       1.20482710      -2.17908482      -0.39450276 
O       1.75640995       6.92574002       6.75230001      -0.09459816       0.81220989       0.56236097 
O      10.90560003       5.26353997       0.95954902       1.26576841       2.51573815      -2.66911723 
O       9.29588000       7.34114001       9.66728002      -1.16069809       0.45082127       0.02256581 
O       6.99210999       8.71363997       3.56816000       2.72804084       0.68748895       1.45859237 
108
Lattice="11.07775831 0.0 0.0 0.0 11.07775831 0.0 0.0 0.0 10.74712423" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00779185007940418 0.0012980269172580853 -0.00206238775245022 0.0012980269172580853 0.018537197019620873 -0.0010477029549724908 -0.00206238775245022 -0.0010477029549724908 0.02758180347054032" pbc="T T T" energy=-1054.23081756 free_energy=-1054.23081756 config_type=crystal 
Hf       1.42148000       1.44956001       2.51665999       1.01724463       3.13830992      -4.63685146 
Hf      10.95540004       6.78581002       0.02959016       1.12377707       3.85130076      -1.74290216 
Hf       1.71749000       9.07387004       8.03821001       1.38731565       0.76908060       1.15964582 
Hf       6.84413996       3.52893002      10.17500000       3.83898636       3.56031780       3.04285354 
Hf       8.67329996       5.02410005       2.51388003       2.53097137       4.16821870      -0.38121311 
Hf       3.30123999       7.41909001       5.24990001       2.60349902       0.18394400       1.97148726 
Hf       3.70420996      10.73120006      10.65784346      -2.88892802       4.08836677      -2.16069103 
Hf       7.35052999      10.81939995       5.51146997       5.31717646       0.54894800      -0.69418749 
Hf       5.82121998       1.70720995       3.16754001      -0.80988910      -0.35010381      -0.16194022 
Hf       5.59416005       1.98748000       7.96829996      -2.43364594       0.26151250      -1.01323434 
Hf       2.15310002       8.89612996       2.50777997      -2.00219072      -1.58285510      -1.34150713 
Hf       3.64153998      11.03161236       5.19552998      -1.18850769      -0.28063149       0.26553533 
Hf       3.81450998       3.34844997       0.19335205      -5.35204719      -2.67669674      -0.42541153 
Hf       7.53745996      10.98659999       0.02794736       1.42158552      -1.16372348       0.32963986 
Hf       8.97312004       1.63481004       2.27506002       4.05957876      -1.74824563       2.03202209 
Hf       5.18163995       5.47764995       7.59885005       3.28512877      -3.41524564       1.60533703 
Hf       3.30279996       3.61185003       5.02856997       0.30161828      -2.19056394      -1.19389359 
Hf       0.01590999      10.90720005       4.83375997      -1.18306413      -1.56494498       1.93120595 
Hf       9.22932001       1.93740998       7.92921998       2.37614878      -3.40711724       2.01874042 
Hf       5.79327999       8.98693002       2.12646996      -0.78172261       1.01046873      -0.71736918 
Hf       4.09594996       7.36045998      10.23500001      -6.21895951       0.29566192       0.79602841 
Hf       5.33675006       5.11279999       2.49055996       1.78638027       0.88685604      -1.29625844 
Hf       9.06582006       5.44616995       7.85997003       0.35401633       1.88813505       2.06264902 
Hf      11.07760001       7.25582003       5.10281003      -2.60863907      -0.50523867       0.44763968 
Hf       5.79191997       9.20323998       7.84767005      -1.57388584      -0.34558280       1.88552624 
Hf       7.44093004       3.47893001       5.74221997      -2.01951522       2.94173772      -4.09604982 
Hf       6.78156004       7.36972996       4.98101996       1.92858766      -2.47048991      -1.59580385 
Hf      10.79739997      10.45079995      10.74619127       0.07622167       1.30931082       0.40358616 
Hf      10.73189995       3.43749000       5.41761995       2.90456400      -0.14744079      -0.28115548 
Hf       0.24348802       3.38124002      10.51589996      -1.89606835      -2.79280452      -1.13997668 
Hf       1.85352000       5.24480998       7.88189996      -3.50637795      -0.79221718       0.47529826 
Hf       9.57578998       8.88446995       7.71780997      -4.86800471      -0.14287593      -1.92841664 
Hf       1.91578996       1.40509001       7.92681005      -1.61983261       1.91417246      -2.57155324 
Hf       7.40417005       7.28034995      10.51950003       2.33153762      -1.55098695       0.26456594 
Hf       9.13341997       8.77710997       2.72009005       1.01083749       0.28034005      -1.90159618 
Hf       1.37232001       5.11460001       2.53924002       3.04077972       2.87333765       0.73861610 
O       7.23601001       5.40050998       8.96177004      -0.00677855      -0.87590614       1.47862044 
O       9.28660997       7.53714003       4.26960000      -1.13848216      -0.12423129       0.04434486 
O       5.51231004      10.17140005      10.58319996       3.63616017      -0.38982079      -0.39881122 
O       5.69701006       7.35104001       9.23882005       2.16496587       1.82029688      -3.82498314 
O       9.31596005       7.06118005       6.75214002       0.30971506       1.84175667       0.80758642 
O       5.44393003       7.14057999       0.79473103       2.67780037       2.98555858       3.73624091 
O       7.45393001       2.09151998       8.98221999      -3.31051149      -0.93225026      -0.05046330 
O       7.49807997       1.72061005       6.51836997      -1.51337713       0.31918698       1.04001191 
O       7.75806000       9.19784999       1.15101002      -3.28403890      -1.62364570      -0.80904928 
O       3.75375003       9.36545004       3.93823005      -1.33722239      -0.67142656      -0.15411751 
O       7.82248005       1.10133002       4.07310001      -1.03102149       2.75488554      -2.54353313 
O       6.14017002       0.03574172       2.22505999      -1.40889999      -2.59503435      -0.72681756 
O       7.50556000       1.75465998       1.05578996      -1.89067379       0.54346555      -1.70793811 
O       1.42465998      11.05169999       6.48706005       2.57476975       0.19687030       0.59017372 
O       7.21523999       8.87910001       6.32661000      -1.52396264       0.24814578       0.81373345 
O       9.33786000       0.60686497       9.97661002      -1.78731002      -0.77002314      -2.21543687 
O       9.27210996      10.21039997       4.03336004       0.83974473       0.79775126       1.89749373 
O       5.59104997       0.37595896       5.05469000      -2.59270703       0.44600334      -0.59752347 
O       1.42963002       3.34460997       7.04252001       0.88070056       2.18369694      -1.45576102 
O       9.25880003       3.78648004       4.20830001      -2.31932228      -0.07889916       0.04882590 
O       9.12978004       3.65887002       6.80122998       1.34220699      -0.10961035       0.81587720 
O       3.63580004       9.32362995       8.85431997       1.48770052      -1.80728448       2.18612883 
O       7.22096996       5.74204004       3.59289002      -1.18829604       0.43776001       1.33392019 
O       9.37233997       3.46058003       1.60788005       0.07663544      -0.41610077      -0.52654316 
O      10.75600006       1.38328998       3.68413998       0.18649875       1.27422207      -3.51817617 
O       7.15815995       5.44168002       0.83092304      -0.08315942      -3.54222018       0.32250462 
O       9.19691004       3.47919000       9.47185005       1.57672684       1.29864990       0.16547292 
O       5.32112000       7.33176006       3.53976999      -1.98660349      -0.79610496       0.72909086 
O       4.22336999       5.11246001       0.77861196      -0.49269330       3.13205976      -0.83736700 
O       3.63469005       9.16960004       1.08076004       0.89570265      -1.79102563       1.58499916 
O       1.82838999       6.85134006       4.21365004       1.77789156      -0.30029812       0.24461715 
O       0.64147898       8.91213998       3.79195997      -1.18151370       0.85521244       0.19820350 
O      11.06670005       5.48283002       6.20006003       1.16183560      -1.70824504      -0.32541841 
O       7.30749002       5.45320001       6.66591004      -0.27903549      -0.85893311      -2.56523901 
O       5.86391997       0.07481098       7.85710001       0.34079958      -2.10688357      -0.50479053 
O       5.19742996       3.79648004       9.11303001      -0.06375370      -0.38984017       0.35878078 
O       5.50077997       3.59138997       6.51208999       0.43019563      -0.10348300       0.96462051 
O       1.70095002       7.68573996       9.90025998      -0.41359047       0.62520880      -1.71396101 
O       1.83195005       6.88592005       1.56712996       0.25475582       1.72988729       1.09768134 
O       1.51790003       3.51081002       4.18377002      -1.06247268      -0.05919823       0.66011533 
O       0.17300900       1.92736998       8.66494006      -2.18005053       0.68890677       0.75960851 
O       8.90765005      10.92349997       6.81221999       0.23199176      -2.07602978       1.94576284 
O       2.04501002       0.03164173       9.17406003       0.44937681      -2.48030279       3.02067448 
O       9.39320005      10.86060002       1.43293997      -1.78193600      -0.01051284       1.20145819 
O      11.04025910       1.51525998       0.97934696       1.31411112       1.55182757      -0.47448787 
O      10.54550005       8.65251000       0.89798800      -0.79157892      -0.76667387      -0.55918371 
O       1.89386996       0.22554172       3.87737005       1.34595527      -2.27211032       2.26577436 
O      10.41730003       1.48437996       5.89269002       0.02458530       2.49797984       2.57596071 
O      10.84189999       5.81626999       3.26580000      -2.70423873      -0.74607532       0.67294857 
O       5.24388997       6.91833003       6.43229002       0.08204827       4.49301846      -3.00490177 
O       8.82857003       6.94768000       1.50985005       0.91592130      -0.94884485      -0.11931739 
O       2.01679995       3.47778999       1.68756998      -0.51804233      -2.25635359      -1.64094959 
O       3.54990000       5.24894996       6.00713002      -0.99934311       2.11494574       2.20336292 
O       3.60474997       1.92336006       6.94907000       1.57544802      -0.93370868      -1.10594675 
O       0.01607028       5.66938002       8.89400996       2.04678171      -1.59473354      -0.43423643 
O       3.64732999       5.92383004       8.82859995      -1.16465725      -0.63395537      -1.15014366 
O       7.88179003       9.27046004       9.19926999      -1.49755830       0.07203699      -0.52057916 
O       5.31721000       3.16706995       1.39713002       2.94505922      -1.02170504       2.19070988 
O       6.03209995       3.57377999       3.94196005       0.86993064       0.04311494       0.17466757 
O       3.62225006       5.00980996       3.30481002      -1.42595023      -1.12196574       2.38248224 
O      10.98633424       9.57763996       8.73236999       1.31785249       0.60304537       3.09072306 
O       4.42334003       1.64788002      10.03379998       2.77706143      -1.45400124      -4.13802017 
O       4.04540004       9.40283006       6.58063999      -0.13798066       0.24423010      -2.45334906 
O       1.98633999       3.71766999       9.57686998       0.81749981       0.29563991      -0.00308024 
O       3.06608998       1.37350998       1.01785003      -1.18823230      -1.76098960       1.69980616 
O       3.87572999       1.87669001       3.91739997       0.06521168      -0.20847857       0.69197279 
O       1.14923999      10.22529999       1.34891004       2.95920268       1.51187169       1.56421011 
O      11.06985754       9.06053995       6.29690000      -0.28057054      -0.99431257      -0.09543191 
O       1.90794004       7.37247004       6.99172996       1.44771579      -0.97293450      -1.70966869 
O       0.28207595       5.06621004       0.78418004      -0.99404600      -0.90800606       0.09802661 
O       9.31737002       7.11495005       9.39071001      -1.19652581       0.29030625       1.06927348 
O       7.03632998       8.94459005       3.65100004       1.21090090       0.47236289       1.00839456 
108
Lattice="11.08159087 0.0 0.0 0.0 11.08159087 0.0 0.0 0.0 10.7508424" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.03180583376916044 0.0022362297848354676 -0.004065397844057718 0.0022362297848354676 0.02754173142157487 -0.0002459158340503479 -0.004065397844057718 -0.0002459158340503479 0.04961644221865305" pbc="T T T" energy=-1052.86170666 free_energy=-1052.86170666 config_type=crystal 
Hf       1.63220996       1.23226005       2.50720998       3.56145847       2.72263694      -2.84048888 
Hf      10.89419995       6.87204002      10.19050000       2.81066327       3.66593299       1.09671948 
Hf       1.71981004       9.26453000       7.88622002      -0.66074300      -0.15610567       0.81583387 
Hf       7.34558000       3.67510999      10.38770002       1.81381586      -1.73636035       0.83780085 
Hf       9.35722995       5.35742004       2.48598996      -0.27880343       2.36485618      -2.26262065 
Hf       3.76770998       7.07438998       4.92358996      -4.29418933       2.34014228       3.57086850 
Hf       3.95707996      10.95979998       0.04126410      -2.40726059       1.80402613      -0.46159759 
Hf       7.20006996       0.06497469       5.20021999       1.79566001      -0.15207134       2.71546012 
Hf       5.77307001       1.74431000       2.34239999      -5.74923702       0.52762344       1.78091047 
Hf       5.45035004       1.85505000       8.07881997      -1.37421029      -2.94630509       0.20931185 
Hf       1.77631995       8.95932005       2.24296997       1.82092992      -2.80615760      -0.80042889 
Hf       3.72489005      11.04891314       5.35245998      -1.44214423      -2.99947501       1.06959720 
Hf       3.55403995       3.65770003       0.05958450       0.17299922      -2.91592380      -1.14552436 
Hf       7.40769997      10.92900002      10.74425181       3.61257584      -0.14138190      -3.67925634 
Hf       9.07458001       1.74117003       2.63105001       1.03362718       1.40219095      -1.21744228 
Hf       5.18856995       5.36234004       8.19354995       0.95123752      -0.22765575      -0.60391851 
Hf       3.68460004       3.37625001       5.03175999      -2.10172377      -0.88120845       2.32987939 
Hf      11.06085710      10.49510000       5.01828004      -0.75152651      -1.67705525       2.96413744 
Hf       9.33048996       1.37804004       7.80236001      -2.88932701       2.14962077       1.31956577 
Hf       5.55779005       9.26473003       2.83632003      -2.15356935       1.79076241      -1.57270953 
Hf       3.70675004       7.42737001      10.57550003      -2.31413950      -0.98471664      -0.86347816 
Hf       5.33160004       5.21066997       2.72461996       2.67247074       0.88686266      -0.98966590 
Hf       9.16813003       5.29210005       7.96287998       0.41944018      -1.34294355      -1.37319570 
Hf       0.07767375       6.96376002       5.21683004      -0.35418690       0.61018769       1.37526336 
Hf       5.32119997       8.94817995       7.80723004      -2.63621910      -0.14516321      -0.58892881 
Hf       6.96381000       3.63064998       5.55837001       1.63072371       0.47563542       0.34675876 
Hf       7.36359003       7.27980999       5.40987002       1.05094027      -2.11161895      -0.05399738 
Hf      11.06678476      10.77669996      10.59089997      -0.01870578      -3.17746776      -2.18923766 
Hf      11.05209566       3.56820998       5.03477001      -1.90057083       1.78898519       2.85604096 
Hf       0.14729495       3.27110998      10.58420004      -0.87382591       0.09352874       0.39220055 
Hf       1.87335003       5.35696004       7.76965004      -0.31254503       2.59409534       0.93765382 
Hf       8.95370002       8.86108995       7.89817001       2.66460741       1.10848963       1.20903651 
Hf       1.51382998       1.92846000       7.67560995      -0.07879859      -1.37128232       0.58076902 
Hf       7.19808004       7.40957996       0.22244202       1.06156618      -5.04894700      -2.70825244 
Hf       9.09781999       8.86450995       2.62755996       4.96832248      -0.40317310       2.14375187 
Hf       1.67190998       5.15164997       2.45198999       0.31041204       2.88787081      -1.70169353 
O       7.18799003       5.39106996       9.65189000       0.58424397       0.66175150      -0.02354352 
O       9.31375997       6.98726995       3.84299000      -3.24570780       0.69765697      -2.30977347 
O       5.39986996       0.01483415       9.37202998       0.95590121       0.02313101      -1.82532703 
O       5.62099003       7.08831001       9.20490997      -2.23911660       2.01216549      -1.16653678 
O       9.34502003       6.83133003       6.44676995      -3.38933749       0.14549549      -0.58201300 
O       5.51422001       6.75579003       1.21571999      -0.69483147       1.27019062      -2.18734301 
O       7.98999003       1.30632996       9.65110003      -2.11258033       1.70971717       0.40301101 
O       7.20653995       1.86920995       7.09954003      -0.36767616      -1.41815066      -1.64695996 
O       7.41215000       8.30352004       1.94016002      -1.79676411       2.30849437       0.58600566 
O       3.43056000       9.51498005       3.85470003       0.09367957       0.56318337       0.09929029 
O       7.31309997       2.05015005       4.34600998       0.71634812      -4.24803001      -2.27632828 
O       5.76428996      10.64800002       1.05496995      -1.11486582      -0.61677748       2.82574525 
O       7.41432000       1.37684999       1.50307001       0.77385238       1.98492492       0.96554515 
O       1.83995998      10.74549996       6.12576001      -1.89930544      -0.43666858      -1.10337372 
O       7.16748000       8.72539997       7.01006002       1.01718285      -1.12201596       0.19973104 
O       9.26561999      10.46970000       9.14437004       1.81997866       0.70801318      -0.48122978 
O       9.32731996      10.79950000       3.75594999      -0.41555420       1.76974702      -0.46140271 
O       5.40991996      10.98249995       3.99293995       2.92067795       0.84828395      -1.01591242 
O       1.70860999       3.18013998       5.94759995       0.41158469      -0.11177035       1.89554514 
O       9.12438002       3.80374000       3.47290999      -0.65795797      -3.48998015       0.75304202 
O       9.28267999       3.17858003       5.94805998      -1.46884606       1.68139086       0.28429999 
O       3.31321005       9.24139995       9.20801997       2.99612887       0.57821428       2.15862685 
O       6.87848995       5.58526996       4.37303996       0.23489378      -1.03630325       0.45710752 
O       9.49180002       3.26687005       0.96680595      -0.72817522      -0.15828435      -0.61417272 
O       0.25845395       2.51252001       3.48343001      -0.22776658      -4.33119855      -2.50806117 
O       7.50311003       5.28998003       1.58258001      -0.31254957      -0.75343567       0.06568023 
O       8.59275998       3.33679999       8.54420996       0.14388762       2.87909391       2.04621195 
O       4.97373004       7.65302001       3.46106998       0.79953051      -3.67432884       0.83667326 
O       3.77575998       4.97624002       1.53114003      -1.80699406       0.69641297       2.99060901 
O       3.76260003       8.95263996       1.23652996       0.34601893       0.38429637       0.40063931 
O       1.96987999       7.17833996       3.75281999       0.33891745      -0.06875568      -3.17000932 
O      10.85639998       8.62899002       4.07963001       0.74251954       3.23545039      -0.64194240 
O       0.16336005       5.32789004       6.76113996      -2.64633837      -1.94843083      -1.52860900 
O       7.05850995       4.74783004       7.14498997      -0.23910948       2.81484790       0.58222544 
O       5.61819004      10.51570001       6.49276001      -0.20468214       1.79741454      -0.71960954 
O       5.53249000       3.25428004       9.43725997      -0.06019869       2.14500013      -1.31533385 
O       5.10959001       3.13743995       6.59957995       1.43953978       1.82339472      -2.03524453 
O       2.05029999       7.22891002       8.91912000       0.04639293      -2.06849291      -1.43921035 
O       2.01438001       6.86224002       0.81038098       0.32258953       1.53692481       0.81401748 
O       2.34757995       4.04320996       3.85617999      -1.23297256       0.31432486      -1.57293316 
O      10.81700005       2.39890002       8.83167996       0.55190722      -0.85989622       1.31339617 
O       8.96706996      10.95420000       6.47733997      -1.85519411      -1.73560849      -1.83216541 
O       1.28921998       0.21330500       8.85885002      -0.63003984      -1.46986582      -0.56134496 
O       9.14126005       0.11644702       1.13392005       1.49540557      -2.74658817       0.10846243 
O       0.17894697       1.39557001       0.74214796       0.46932238       1.76942370       1.36768823 
O      10.99729997       9.04927996       1.05142002       0.54901291       0.67324859       2.26493694 
O       1.10945995      10.55590004       3.11391001      -1.82466724       1.94182227       2.59469054 
O      10.82240000       1.49001996       6.50745996       3.05344046      -1.14363054      -1.53963449 
O      11.07554498       5.47134001       3.90325997       1.41442204      -3.06495394      -0.60129006 
O       5.38141002       7.06128999       6.16868995       2.24997308       1.57899378       1.94460255 
O       9.47095998       7.07714996       0.73040804      -4.21113069       1.20037256       1.71686903 
O       1.72153002       3.31068002       1.27688002       0.50016350       0.97088138      -1.13761826 
O       3.63943004       5.32444998       6.79947004       1.04442564      -0.99599619       3.17661323 
O       3.44136998       1.57827995       7.11919999       1.76205017      -1.75647238      -0.56903594 
O      11.03902537       5.28844999       9.05710996      -1.41774647      -1.31184810       1.85383956 
O       3.54146999       5.42041999       9.80674997       2.21178868      -0.79130622      -1.87298484 
O       7.46232999       8.98369002       9.69997002      -1.57422569       0.43332598       1.59661914 
O       5.49971997       3.25778005       1.06895002       1.43663817       0.59338268       0.04181469 
O       5.18213997       3.24632002       3.66724995       1.29596259      -0.12343633      -0.15836093 
O       4.32903998       5.27371003       4.66246995       0.91794103      -0.32412718      -3.25441500 
O       0.30798101       8.81513005       9.27489999      -1.45654419      -0.25880447       0.96642301 
O       3.33537002       1.82268001      10.00310002       1.52649419      -1.54787265       0.36182270 
O       3.44139004       8.85641995       6.70316002       2.50165768       0.12613116       0.03936712 
O       1.95744002       3.53793995       8.89873995      -0.13905444       1.04252994       0.18491420 
O       3.80524000       1.32508998       1.73645005       0.61456372      -0.81082034       0.15034299 
O       3.08612997       1.33262003       4.13959004      -0.71210290       1.50081586       0.36364002 
O       2.03119998      10.82590000       0.71623596      -1.63739462      -1.23129410       1.43441155 
O      10.80320003       8.90056003       6.70497003       0.79194376       1.48314698      -0.98134234 
O       1.80707004       6.78041998       6.08801004       1.78836800       0.98935056       0.61661703 
O       0.03005904       5.51351001       1.20122000      -0.05036332      -2.43583455       0.23812327 
O       9.02148999       7.10909996       8.95230000       1.05443745      -0.68843287       0.21245577 
O       7.57188005       9.00512005       4.41959003      -1.32371710       1.89803077      -1.27771798 
108
Lattice="11.08512687 0.0 0.0 0.0 11.08512687 0.0 0.0 0.0 10.75427286" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.020227309367314417 -0.001029124928297044 -0.0012695516421805972 -0.001029124928297044 0.02174463887296289 0.002511464970691451 -0.0012695516421805972 0.002511464970691451 0.01595925067064866" pbc="T T T" energy=-1053.74535144 free_energy=-1053.74535144 config_type=crystal 
Hf       1.92476002       1.45916995       2.34098001       1.20980401       1.16954190       1.84730480 
Hf      10.83209998       7.39664003      10.49580004       1.12549824      -3.67894488       1.35958857 
Hf       1.85175005       9.22728998       7.90541995       2.67051724      -3.14104569       2.79581877 
Hf       7.42646999       3.81134995      10.71210901       0.23825358      -1.40941453      -1.15875778 
Hf       9.05434005       5.11077003       2.83550998      -0.23708737      -2.94521020      -1.18926603 
Hf       3.28030997       6.97331998       5.17941998       4.06012066       1.51137246       2.01227498 
Hf       3.77133996      10.85129998       0.09500454      -0.79984199       3.69692131       0.29389367 
Hf       7.26420003      10.61319999       5.19698999       1.88975845       2.50182285      -0.53378083 
Hf       5.53682001       1.28199005       2.60783998       0.29202913       1.54093332       2.11587392 
Hf       5.81128997       1.76683997       7.72375996      -0.82932587       0.37209317       2.90644343 
Hf       1.51563004       8.62732001       2.61193004       2.64685832       3.09844336       1.50767946 
Hf       3.76430002      10.81890003       5.46734004       0.58862488      -0.59834937      -1.78199552 
Hf       3.58285002       3.68650005      10.35550001       0.26897203      -0.64991839      -0.39558209 
Hf       7.21490004       0.19165198      10.61649998       0.25208090      -0.99547348      -0.80679661 
Hf       9.12660998       1.57014005       2.39037997      -1.12042463      -0.04991879       1.50789147 
Hf       5.29061003       5.23218997       7.64904002       0.87770174       2.96650501       2.24155129 
Hf       3.56800005       3.44302001       5.25260001      -2.09310464      -1.32846697      -2.47364592 
Hf       0.18497097      10.63310001       5.49715003      -0.12326234       0.58009946      -2.72062095 
Hf       9.63262995       1.79606003       8.05380999      -0.59524886       1.43598071      -0.74277004 
Hf       5.37950000       8.60283995       2.42151005      -1.48465903       4.35362746      -1.54294057 
Hf       3.50199000       7.20724997      10.55180001       0.59844029       0.09680115       0.50319507 
Hf       5.43229003       4.82852995       2.25731004      -1.09955859      -0.60046657       0.65460373 
Hf       8.92344998       5.43516995       7.87909994       1.70543327       0.82577307       0.15256013 
Hf      10.83530004       7.12817998       5.72270004       1.11655085      -0.59710636      -2.55496188 
Hf       5.68890995       9.21832001       8.35256003      -0.84832787       0.81687917      -1.03279961 
Hf       7.02821996       3.32224001       5.22783002       1.21923989      -2.77135069      -3.90370007 
Hf       7.29270000       7.01522997       4.76283000      -1.71369553      -2.77690088       3.08832481 
Hf       0.04346611      10.79589995      10.48340004       0.22565255       1.25487626       2.14595987 
Hf      10.74559996       3.16326998       5.19564001       1.56360398       0.43032619      -1.52781144 
Hf       0.16990096       3.76108999       0.04872976      -1.46975669      -0.33536544      -0.16981715 
Hf       1.79787001       5.57005998       7.95157998      -0.15032802       0.61227473       1.12328873 
Hf       9.09180002       9.28460995       7.66466996      -1.89199076      -0.15559611       1.71905973 
Hf       2.00421998       2.14452000       7.73000002       0.31797419      -2.50197134       2.68037010 
Hf       7.47785000       7.32184003      10.54929997      -3.59672988       0.59876515      -2.67314833 
Hf       9.17391997       9.05709005       2.42891995      -2.25379565      -0.93113996       0.70448836 
Hf       1.57163998       5.38216996       2.43625996       1.01138103      -2.91313129      -0.25039459 
O       7.18259997       5.31166002       9.26921995       0.68833244      -0.21423281      -1.90384680 
O       8.89751998       6.81737996       3.68132999       0.16048892       1.83575018      -1.64591486 
O       5.85194999       0.23677798       8.98919997       0.14847924      -1.55642095       0.54269897 
O       5.66738994       7.39777005       8.08803998       0.02756335      -4.05156510       1.01484396 
O       9.04753002       7.31412999       6.30930002      -3.68140828      -0.16561406       0.64015749 
O       5.41737998       7.54825996       0.22786605       0.06308204      -0.11162023       1.33183815 
O       7.42808000       2.04420004       9.59643999       1.44466206       0.36972582      -0.24774627 
O       7.66350005       2.15011998       6.84951995       0.85855001       0.76774256       0.45199561 
O       7.47208995       8.95616995       1.18906005      -0.31736843      -0.30818481       4.53814448 
O       4.09857003       8.95467999       4.53526001      -0.29934485      -3.94756781       0.30503478 
O       7.52927002       1.62358000       3.85658000      -2.00024922      -0.44507209       2.39617373 
O       5.53998005      10.91280004       1.03586995       1.76914404      -1.83431841      -1.26403012 
O       7.04958998       1.77113003       1.49620004       4.47133306      -0.14564658      -2.90451683 
O       2.01721995      10.46279998       6.53789995      -1.97565735       2.59010060      -2.07589188 
O       7.24539001       9.41023005       6.96914994      -1.86516811       0.52899431      -0.93681677 
O       9.07902996       0.01005188       8.66423004       1.03082628      -0.60944785       0.50788963 
O       8.72734998      10.76600003       3.22187003       0.66685537      -0.41805595      -0.81897286 
O       4.96360001      10.83630002       3.58311003       2.16410316      -1.72859705       1.59655960 
O       1.67628003       3.61488005       6.48295002       0.84400949       0.23242785      -2.54808001 
O       9.20223006       3.20526998       3.69876998       1.47602729       1.47867005       1.05390954 
O       9.99200001       3.62528998       7.03537003      -0.89192257       0.17907232       0.63253851 
O       3.47645996       9.28634998       9.80667000       0.93402381      -2.98096509      -1.70952505 
O       7.05937006       4.77960996       3.50767999       0.27463476       0.31550370       1.50760609 
O       9.16983000       3.70416997       1.11626997       0.39791764      -2.53410118      -0.03790047 
O      10.65470004       1.14487002       4.50839003       0.63294371       1.13554384      -1.42128749 
O       7.44737000       5.43870001       1.04908996      -1.92068683       1.02566618       2.10543445 
O       9.76144999       4.55857995       9.52843997       0.08989236      -0.17393238       0.22849701 
O       5.55758001       6.79911999       2.79057002       0.72041738      -0.78560897       1.69434806 
O       3.49573001       5.36779998       1.55886003       1.25442105       1.32648716      -0.26646213 
O       3.45561005       8.92799998       1.69820002       2.01226423      -0.68328490       1.08997102 
O       1.66930005       7.13665999       4.02577999       0.09383284      -1.70651259      -3.26630738 
O      10.71390005       8.56224001       4.20144996       0.06431577       1.98954154      -0.56564175 
O      10.96870000       6.32565005       7.90010003      -1.04835274      -1.22282880      -0.67149197 
O       7.93329995       4.80556999       6.06482002      -0.79674202       2.19295722       1.76968169 
O       5.83882997       0.72515397       6.02214997      -0.85219804      -2.85629670      -1.55542346 
O       5.06690995       3.48890002       8.71156003       0.91723309      -0.32570267      -1.74415285 
O       5.25967998       3.24234995       6.10304996       1.44800566       1.75316700       2.44124858 
O       2.11936995       7.10647996       9.09707996      -0.66350337       3.17338392      -1.34554970 
O       1.83261002       7.38518998       0.91612499      -3.30499495      -0.29898615       1.80562417 
O       1.01097000       3.58478005       3.52773004       1.06818017       0.65435982       0.25990564 
O       0.05239119       2.06939997       9.49417998      -0.58788825      -0.85833089       0.27836881 
O       9.08796002      10.80589995       5.97801003       0.82880968      -0.67547467       0.25468348 
O       1.52310996      10.66059999       9.27139994      -0.18301881       1.06529638      -1.87550607 
O       9.25929995      10.97110005       0.56172105      -1.04429914       0.77067062       0.59036321 
O       0.03767735       1.62988001       1.60253001      -0.43898624      -0.08867302      -0.68358052 
O      10.97780001       8.96490004       1.53597999      -0.40650601       0.61103416      -1.88129630 
O       1.97321000      10.28399998       4.03579996      -2.24224874       0.10296043      -0.96763629 
O       0.26246599       1.49904004       6.84546000      -0.79157298      -1.60023723       0.44690353 
O      10.55659999       5.26437996       4.89694997       0.41171898       0.25610404       0.09534333 
O       5.50294996       6.66689005       5.72817999       0.69744462      -0.83976198      -0.89197980 
O       9.10645001       7.24952997       0.68376000       4.41499518       0.43052097       1.66932439 
O       2.18252003       3.49782000       1.26240000      -1.95041136      -2.91503888      -0.35688662 
O       3.56119999       5.40408005       6.77528998      -2.01996374       0.27359972      -0.24335355 
O       3.77587001       1.22971004       7.28797004      -1.73889558       1.20322722      -2.01204917 
O       1.50236004       5.18791996      10.41670000      -2.65228898       0.92820655       1.59557405 
O       4.02771999       5.47665005       9.35718000      -0.05453502       0.99616779       0.76734031 
O       7.09395000       9.18751998       9.78603997       0.08833543       2.26140113      -1.18226117 
O       5.34977002       3.46989002       0.57659701       1.46529534       2.03631539       1.46392106 
O       5.08460004       3.06410998       3.61315005       0.50406426       1.62025758      -1.00581096 
O       3.65813998       5.13183997       4.32540995      -1.15796633       1.47955559      -1.91053836 
O      10.75170000       8.95686000       9.53769004       0.78924923       3.03979129      -0.51884447 
O       3.73834996       1.54688999       9.68626000      -2.16322983       0.96345615       2.06322905 
O       3.99131000       9.26243005       7.18444995      -1.34251077       0.89062168      -0.28859032 
O       2.01517996       3.82127003       8.85029004       0.87828830      -3.55856194      -0.39668569 
O       3.85170004       1.25395997       1.73357997      -3.81356219       1.59535431      -0.80946009 
O       3.19877997       1.56063001       4.44114001      -1.37578366       0.69220479       0.68990817 
O       2.00220005      10.88760000       1.10584005      -3.21536249       0.24756372      -0.35562398 
O      10.84630003       9.10962003       6.85449004       2.70412673       0.33865879       0.19895900 
O       1.62920005       7.41417005       6.50444996       2.53242476      -0.63470756      -0.19223529 
O      10.68459995       5.59071002       1.77795995       3.60038530      -0.05015509      -0.43137935 
O       8.79546997       7.66692003       8.85545994      -0.14330203      -3.09539388       0.59747687 
O       7.39313003       8.84361999       4.26240002      -1.26810562       0.58557008      -1.59360125 
108
Lattice="11.08896091 0.0 0.0 0.0 11.08896091 0.0 0.0 0.0 10.75799247" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.023217868877293758 0.001955709700991288 0.003825491110299442 0.001955709700991288 0.01264374103766725 0.0006542048213614778 0.003825491110299442 0.0006542048213614778 0.025544383115242625" pbc="T T T" energy=-1046.09060982 free_energy=-1046.09060982 config_type=crystal 
Hf       1.86985995       1.38813997       2.53487995      -4.99579153      -0.33716649       1.10482568 
Hf       0.03239463       7.16585997      10.45719997      -0.98105862       0.45411565       0.64457687 
Hf       1.97323003       9.02613995       7.63584996      -2.31117069       1.36427200       1.80111299 
Hf       7.64694001       3.29422002       0.19729201      -2.34409512       0.44545117       1.11817092 
Hf       9.20461001       5.38072001       2.59285003      -2.51929139       2.16239627      -0.78181030 
Hf       3.47367999       7.34006999       5.18708000       1.48878700      -0.64030371      -1.04129199 
Hf       3.71560996      10.76840001      10.44450005      -0.26986903      -0.10258998       0.48474644 
Hf       7.46572998       0.09099058       5.52885001      -0.39878421       1.29679220      -1.97016120 
Hf       5.21539004       1.55944002       2.62637000       3.48955183       2.06944132      -1.08119747 
Hf       5.11934001       1.39784004       8.07703996       5.35533347       1.37336497      -1.91732199 
Hf       1.89960997       8.75611998       2.22345005      -3.10992209       0.54573272       1.19959474 
Hf       3.74644004       0.09922203       5.04560002      -2.20167699      -4.94274807      -2.13093772 
Hf       3.83741000       3.41249998       0.07221840      -4.19882315       2.68608751       4.00481676 
Hf       7.30133004      10.88460001      10.41430000      -0.36698382       1.22281656       0.13695149 
Hf       8.93188001       1.80329004       2.89071001       4.30211444       0.55323950      -3.92537782 
Hf       5.28721002       4.85827005       8.16035997      -0.33851217       1.12193144       0.94606272 
Hf       3.41339996       3.28217996       5.46119999      -0.21961001       2.77964535      -3.17591864 
Hf      10.71350000      10.57110000       5.55786002       0.70493956       7.82862643      -7.51461480 
Hf       9.12362999       1.85981003       8.30734997       0.06748444      -2.14035533      -2.19438047 
Hf       5.51988004       8.87021996       2.47940001       0.27353384       2.57626522       1.41762452 
Hf       3.81142002       7.50393001      10.58349998       0.56762373      -5.25342743      -2.51448072 
Hf       5.44541999       5.59406996       2.57304995       0.93840188      -3.76307003      -0.89299095 
Hf       9.09297001       5.39680000       7.84825996      -0.64352885      -1.77891479       0.92417061 
Hf      10.94129997       7.13646003       4.88105997      -0.94515373       0.05376942      -0.63938039 
Hf       5.67566996       9.00420000       7.68371001       0.18950077      -4.35563028       2.03280447 
Hf       7.32359002       3.44985004       5.28958000      -2.48408069       1.94767504       2.24133074 
Hf       7.27116995       7.02250998       5.12597998      -0.51728324      -0.60712066      -0.16540980 
Hf      10.98701388       0.09406377      10.57389998       0.54535897      -2.76408590       0.61386922 
Hf      10.91409997       3.28534996       5.29279997      -0.23277161      -0.01079381      -1.39175219 
Hf       0.26070801       3.33503005      10.23990003      -1.00822269      -0.58077079       1.88822502 
Hf       1.77872999       5.54446005       7.75337995       0.43652001      -1.34514731       0.87938708 
Hf       9.07138003       9.05589995       7.63251003       1.53201085      -0.10831533       3.84328382 
Hf       1.71057003       1.89023004       7.78566996      -0.23418907      -2.79925291       2.59113275 
Hf       7.73050997       7.53343995       0.03414135       0.14989757      -4.28685293       2.18083966 
Hf       9.10705000       9.42359004       2.53611002       1.22286452      -1.11118040      -0.82341108 
Hf       1.90599999       5.19432999       2.35879001       1.53566924      -0.78247223      -4.13022855 
O       7.46338999       4.57720004       9.56021997      -1.45886858       0.79891179      -2.88660576 
O       9.13558001       6.87315997       3.97056997       1.07241055       0.86387696       2.86551253 
O       5.65580996      10.64440003       9.14271002      -1.89490981       1.55849308      -0.24913502 
O       5.63750996       7.21784003       9.36839001      -1.04886409      -0.44514555       0.72301792 
O       9.21006001       6.99858998       6.55095999      -1.75485202       0.00534880       1.75832688 
O       5.31184004       7.18620999       1.39544997      -0.40802109       1.97537010      -1.49378344 
O       7.24375005       1.62523005       9.17697003      -2.17403701      -0.13710578       0.19820901 
O       6.74244996       1.82164005       6.34111997      -1.03431137      -3.19896596       1.66886356 
O       7.64721003       9.45642002       0.93269299       3.57425615      -3.48961866       3.13543292 
O       3.72032997       9.23381002       3.40191002       0.60357348      -0.23561940       0.36117583 
O       7.62154995       1.81398002       4.17434001      -4.40508642      -1.35416244       1.91415009 
O       5.60406000      10.13400000       0.85720502      -2.46613499       1.45261198      -0.60906284 
O       7.04250005       1.44371995       1.42684997       0.70139755      -0.60326071      -1.12443576 
O       0.86174400      11.05149996       6.73451996       4.17703094       0.37561091       5.23803877 
O       7.70194004       8.95573004       6.17732997      -2.39673600       1.56230910       0.02896815 
O       9.07106000      10.83689996       9.38966996       1.93226414       0.44770872       2.85129063 
O       9.23026998       0.15603399       4.14222999      -0.84853925      -3.34380711       2.26914509 
O       5.78484000      10.96449997       3.82091995      -2.13429846       1.82840303       1.14587473 
O       1.60723000       3.60311001       6.96455005      -0.19799466      -0.24085120      -1.14776720 
O       9.01893002       3.67537998       4.41012003       1.87514830       1.97893536      -0.44127972 
O       8.47079004       3.41120002       7.31407001       0.03651160       2.80310349      -1.20074156 
O       3.75964999       8.80897995       8.68544005      -0.72633991       0.57831381       0.30424734 
O       7.28709004       5.53189005       3.62535998      -0.96862890      -1.15751619       2.04791991 
O       8.84651996       3.61206002       1.76443997       0.51903208      -1.52762222      -0.59327544 
O      10.78899997       2.42430002       3.35450998      -0.23231647      -1.14715888      -0.52531853 
O       7.28113005       5.52466005       1.28366001      -0.07354989       0.97295869      -1.16399856 
O       9.30044004       2.47688997      10.13859998       1.57588031       1.12478205       1.97027488 
O       5.37231003       7.06006995       3.97221003      -0.61236677       1.01512240      -0.00408466 
O       3.74340000       5.24946996       0.94565002       0.24441976       1.18932870      -0.32136857 
O       3.49909999       9.09855996       0.89091701      -0.56490786      -0.79301370      -1.34912986 
O       1.90308004       7.48842997       3.95617998      -0.69551997      -0.72688074      -0.26111169 
O      10.83903392       8.74749998       3.43300998       0.14074224       0.69990457       1.10874631 
O      10.83170001       5.28350997       6.14415996       0.95579212       0.03607884      -0.54211325 
O       6.75173995       5.46622998       6.60182002       1.80752739      -1.35413872      -0.11250655 
O       5.12635000      10.49769995       6.61568997       0.87277545       2.78002432      -1.22642315 
O       4.88787003       3.05833997       9.39507004       5.96712667       0.99628451      -2.52693556 
O       4.70809003       3.46080005       6.91760001       1.18269074      -2.72400117       2.53745381 
O       1.79196998       6.88082001       9.33714998      -0.17197861       1.90471030      -1.64148304 
O       1.65279000       7.10347004       1.00205999       3.11336977       0.00093209       2.61609102 
O       1.56066003       2.61297004       4.57021004       0.99258608       1.64246482       1.73922619 
O       0.16543399       1.45415000       8.91568002      -2.10383460       0.63874302       0.59974540 
O       8.79705000       0.04706754       7.24059002      -0.94167477      -2.35575425      -4.06981817 
O       1.64996996      10.61180004       9.32338997       1.75520172      -1.31173429       0.94958297 
O       9.54600995       0.17263705       1.73729002       0.14432051      -1.17687751      -1.55791347 
O       0.50633903       1.59104999       0.89846697       0.10394795       1.46645485      -1.60038550 
O      10.99465562       8.76573001       0.84259695       0.60178840       2.93515960      -1.32331287 
O       1.60587005      10.93370004       4.33783998       1.62160242       0.90120590      -1.17573276 
O      10.22189998       1.78832005       6.34271000       1.13839577       0.30678494       0.03246741 
O       0.14327403       5.49360996       3.00177004      -1.79416711       0.34725316       2.55891316 
O       5.50193999       7.37632002       6.34065996      -1.93341650       3.50114702       1.49274955 
O       9.42435995       7.28836006       1.54984997      -2.45163393      -0.80373353      -0.91854627 
O       2.34866998       3.22598997       1.89786005      -0.71099620       1.62921330      -1.89220334 
O       3.31363002       5.29152995       6.52418002       1.31807229       1.26293343      -2.02325011 
O       3.05082997       1.26257002       6.40586996       2.58114024       1.67783710       0.04668875 
O      10.67469995       4.51199995       8.72430996       0.24744154       0.47810709      -1.40466117 
O       3.41923996       5.04540003       9.15076001       2.66266265       1.53264273      -1.60652577 
O       7.47128001       8.91114000       9.46328002       0.36835833       0.76110349      -5.20486271 
O       5.52193005       3.42521003       1.70587002      -1.00266232      -0.06508765      -0.67642457 
O       5.39639004       3.44412004       4.56253002      -0.56324827      -0.51500514      -0.94710734 
O       3.41999999       5.27942002       3.54929000       1.10093102       0.37641819       2.10562816 
O      10.67660005       8.64440003       8.76444997       0.86377720      -1.23476079      -0.11579782 
O       3.55785995       1.43981996       9.03329005      -3.72183010      -3.86519041       0.98770612 
O       3.02716003       9.41639996       6.03463004       0.38658428      -1.01091425      -0.03689029 
O       2.04817000       3.28110998       9.51038001      -0.04530973      -1.88506448      -0.08951850 
O       3.92355004       1.13401004       1.11841004      -0.80721607       0.24164285      -0.89322461 
O       3.43461003       2.06624002       3.54983995       4.43861257      -3.14315020       2.34578736 
O       1.62942001      10.55799995       1.50385998       0.32832506       2.33469140      -0.26341440 
O      10.59019996       8.90608997       6.13590997      -0.07559188      -5.70132711       1.68870094 
O       1.85845995       7.18131998       6.41645002      -1.68067911       1.32275163       2.49404233 
O       0.53063705       5.00356005       0.29995295      -0.46283374       1.68561818       1.86233622 
O       9.17892997       6.38841004       9.87988995       0.08453694       1.68459166      -1.85457388 
O       7.26749995       8.97711000       3.56096995       0.99434885      -0.89984429      -0.33445070 
108
Lattice="11.09261358 0.0 0.0 0.0 11.09261358 0.0 0.0 0.0 10.76153612" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.026442020461418532 0.011190245911245294 -0.004236942102307326 0.011190245911245294 0.026317620780751318 -0.0118939620217931 -0.004236942102307326 -0.0118939620217931 0.03054269661953115" pbc="T T T" energy=-1050.09727199 free_energy=-1050.09727199 config_type=crystal 
Hf       1.61675997       1.34740003       2.49660998       0.86178938       2.49404566       0.68431291 
Hf       0.32280903       6.66665999      10.47679997      -4.41089904       1.74671555      -0.85403888 
Hf       1.66991999       8.93171999       7.70292999      -2.23200627       4.60763484       1.00179270 
Hf       7.12706002       3.44705995      10.27810005       1.18180671      -0.00444000       3.77252996 
Hf       9.05855005       5.49351005       2.80643999       0.78929254      -1.23336798      -2.93700994 
Hf       3.55112997       7.02285002       5.28104004       2.33223559       1.68361243      -0.18485726 
Hf       3.54013996      10.84209999      10.19610005      -2.80756200       2.01822708       0.20606384 
Hf       6.98834999      10.91570004       5.31091999       2.33012685      -0.29724140      -0.29358124 
Hf       5.46643997       1.73194999       1.95287002      -0.85360287      -1.23393216       1.01463965 
Hf       5.61698005       1.69276001       8.01717997      -5.52886070      -2.26928940      -0.97897103 
Hf       1.92456003       9.06541005       2.12658005       2.99128091       0.53843022       1.97587707 
Hf       3.80428005      10.83960005       5.00428002      -0.45328509       0.21658214       1.37882610 
Hf       3.32180005       3.54919996       0.13255102      -0.12441507      -0.32318740      -1.27734091 
Hf       7.39521996      11.00120002       0.14292202       1.91894752      -0.59475978       0.05201531 
Hf       8.97187003       1.57034004       3.01212996       1.21387656      -0.46518176       0.05161802 
Hf       5.54444001       5.20373006       8.08882996      -2.09789028       2.14924304       0.31091190 
Hf       3.69962002       3.60063996       5.12876000      -3.62528219      -2.64776272       2.08443600 
Hf       0.01463271      10.94579996       5.19739999       1.05136326       2.05844496      -0.25527792 
Hf       9.09542001       1.63242995       7.51384001       1.96314069      -2.94802743       1.72130684 
Hf       5.68144000       8.77272002       2.58409998      -0.51508624       0.76169764       2.21196586 
Hf       3.80075004       7.23592005      10.36879999      -2.07357331       0.04531527       1.15402104 
Hf       5.41920995       5.21494003       2.55651999       1.77576349       2.88925186       0.17352824 
Hf       8.93051000       5.40217003       8.02058998       3.44677557       2.64946042       0.90616202 
Hf       0.06468014       7.74001000       4.89349001       2.82096587       0.05340146       2.38480257 
Hf       5.56763001       8.80757001       7.72823004      -1.45010708       1.45672949      -0.88209904 
Hf       7.02636005       3.40321995       5.22190002       1.59316280      -1.52619730       0.26638644 
Hf       7.87845004       7.29202005       5.25933004      -1.61688850       0.63093776       0.45159596 
Hf      11.09043555      10.68299997      10.46369995      -1.55948344       2.64602218      -0.69305366 
Hf      10.91610004       3.78167996       5.30106995      -0.82247704       0.54270717      -0.12461218 
Hf      10.89940000       3.37174998       0.18733198      -0.04129827      -1.47812544       0.55342986 
Hf       1.85780002       5.24842996       8.03415996      -0.07616366       0.78493289       1.71465521 
Hf       9.11823995       8.94797000       8.14886997       0.86730548       0.04417523       1.50179888 
Hf       1.39237004       1.76744003       7.62058002       0.88336199      -3.74574766       4.59108928 
Hf       7.11356996       7.34082001      10.71259997       2.63135492      -2.18654345      -0.55398703 
Hf       9.28012999       8.84543997       2.14227005       2.72675837       1.57378968       1.20424749 
Hf       1.77854995       5.42583002       2.73198996      -0.88560008      -1.58438379      -0.87667091 
O       7.15701995       5.98619004       7.19460001       4.26328414      -1.81432631      -1.32319586 
O       9.66450004       7.13766001       3.87161995      -4.36548191       0.02272430      -0.61113075 
O       5.88377005      10.79379998       1.61851997       0.49334661       0.71405874      -1.33594745 
O       6.82121004       5.37867998       9.76804004       1.04279073      -2.85995880      -0.98650873 
O       9.39084005       7.46113005       6.72319996      -3.01872109       2.54195825      -0.46367990 
O       5.59341002       6.93750999       1.30349999      -1.43618591       3.70116795      -0.51294109 
O       7.45102002       1.73856995       9.08251996      -0.42020701       0.52712055       1.16777015 
O       7.22993004       1.48658005       6.52871005      -0.30879518       0.62353566      -0.05369006 
O       7.59304996       9.08315002       1.02004996      -1.76234274      -1.32676061      -2.09738137 
O       3.90205001       9.05023003       3.44471003      -2.18186528      -0.52420703      -2.16965992 
O       6.94154005       1.78807995       3.95387005      -0.08426767      -1.00888535      -0.98691414 
O       5.55491998      10.42970002       4.08349996       1.19587793       1.43090581       0.98239212 
O       7.43924000       1.87428996       1.27440005       0.41033023      -1.87024510      -2.79935836 
O       1.69069002      11.08330000       6.75128003       0.68575704      -0.61524457       0.09876551 
O       7.22317996       9.06063002       6.11728996      -0.44123862      -1.01933750       0.83317574 
O       9.25884005      10.48040003       9.66021999      -1.94703097       0.23607164       3.45301717 
O       9.29838999       0.03350236       4.73179997      -5.75949984       1.37053582      -1.35865645 
O       5.17755005      10.86820002       7.01320000       1.82856195      -0.93374506      -2.13549561 
O       1.08711995       3.66533996       7.15486002      -0.16953142      -0.26324718      -2.49720944 
O       9.00866002       2.90918001       4.69195001       0.83863857       1.03828696       0.03149094 
O       8.90390004       3.57210000       7.29295001      -0.72354921       0.79214054      -0.46323109 
O       3.21399005       8.67545000       8.77151996       4.87961737       1.59754633       0.61140756 
O       7.64513998       5.10002998       4.22669996       0.34370450       1.17401208       1.39174763 
O       9.61790995       3.08115002       1.86483001       0.67659966       1.55557945      -1.02404830 
O      10.99023253       1.60245005       3.37887999      -0.93928843      -0.94354107       0.75828156 
O       7.34383997       5.67103003       1.79273998       1.90715484       0.31931189      -0.45425618 
O       9.12094001       4.04549004      10.22840004      -1.78460329      -1.15980491      -0.80610291 
O       5.79033996       7.11625005       4.07259003       0.80044867       0.64897452      -0.48007033 
O       3.80943001       5.30104999       1.21187003      -2.06778630      -1.07593958      -1.29119266 
O       3.80824998       9.06757999       0.54183699       0.11077056       0.01549794       0.26149266 
O       1.88012002       7.38367998       3.72722005      -1.33612935      -1.28408167       1.21263544 
O      10.94701260       9.44710999       3.68211996       0.40465105      -2.38187515      -0.94263596 
O      10.43050002       5.79431999       6.16178999       2.14585316      -4.86452930      -1.43316251 
O       5.46735999       3.62091005       6.80712003       1.82155433      -0.01870891       0.28773418 
O       5.24724006      10.95150001       9.38873000       3.65326532      -0.14605949       0.89346023 
O       4.87827998       3.13754997       9.48677997       4.43712474       2.69258524      -0.80527235 
O       3.72516997       5.63389995       9.03306995       0.23154106      -2.19483902      -0.50685756 
O       1.91017002       6.98476996       9.33342001      -2.09354772      -1.05960666       0.13569470 
O       1.94767004       7.32325996       1.22880998      -0.04867232      -1.65147864      -1.26559785 
O       1.60855997       3.58451995       4.32376998       2.59224478       0.64479783       1.56719092 
O      10.73309998       1.56101004       9.05434002      -0.55338216       1.68959145      -1.90746847 
O       9.32057999      10.64080000       7.36773999      -0.51895207       2.21485321      -2.47902032 
O       1.52359998      10.90910004       9.32021001       3.90311666      -0.07657311      -0.08939227 
O       9.35406005      10.86211561       1.62632004      -1.88804520       1.55688912      -0.40674439 
O       0.76278501       1.46253004       0.48832396      -1.93671093       0.98538451       1.27177077 
O       0.26015296       9.44614005       1.26484004      -1.09387604      -1.19890923      -1.76908719 
O       1.76440997       0.11019103       4.29837997       3.61000267      -0.24539526      -2.06624373 
O      10.75349996       1.65479998       6.29679001       1.18349487       1.53902048       0.18174072 
O      10.88900001       4.90216005       3.52131000       1.11062726       0.61502463       0.91653652 
O       5.39478002       7.01446001       6.97983999      -3.98573017       0.02390171      -0.98140475 
O       9.56963001       7.02961995       1.21267005      -0.66377516       1.24136346       1.42849832 
O       1.89491002       3.26174997       1.84095005       1.17172589       2.51006559      -1.96237803 
O       3.32231996       5.15038002       6.47573004      -0.16706360       0.71331379      -0.99503373 
O       4.13651004       1.69410998       5.95695997      -1.25794820       0.67435510      -1.88051902 
O      10.86595455       5.31877998       8.90084005       2.70315382       0.87423523       0.49538851 
O       5.54651999       7.15559998       9.46734001      -0.00542988       3.19286660      -0.40340554 
O       7.23189997       9.12349996       8.93744004      -0.44854402      -1.22376811       0.60361079 
O       5.90617003       3.78163004       1.36101997      -0.89320071      -3.06557725      -1.45268532 
O       5.29560995       3.72721001       4.25236999       3.83678158       1.11938241      -2.80958331 
O       3.76623005       5.47097996       3.70357997      -3.27169314       0.40745386       1.61051963 
O       0.09009809       9.07844997       8.94159001      -1.15848725      -2.48058343      -0.06800753 
O       3.54753995       1.52340997       8.53440996      -2.29888201      -0.55921654      -1.04756396 
O       4.26711003       8.82889002       5.82366005      -1.64847689       1.02906408       1.14302721 
O       1.69080006       3.82990997       9.59539002       1.36433337      -0.17451142       1.86491741 
O       4.08056000       1.66083003       0.30296705       0.18269472      -0.13297495       2.75984054 
O       3.95903998       1.70498995       3.14355996      -1.64020737      -0.13057001       1.12967981 
O       2.42402004      11.04010004       1.47414998       0.70481835      -3.58319357      -0.81758531 
O       0.20715201       9.28199000       6.07734002      -0.47437137      -2.56680819       2.21438408 
O       1.85559004       7.56437999       6.35665999       0.55514245      -3.31320035      -0.85159644 
O       0.23660800       5.44535003       1.20508004       1.58139551      -3.09044651      -0.85775331 
O       9.17633996       6.92035005       9.56453003      -1.78789727       1.40076756      -0.78052731 
O       7.90903004       9.16063004       3.49087003      -2.29381408      -1.62936380       1.66751282 
108
Lattice="11.09645036 0.0 0.0 0.0 11.09645036 0.0 0.0 0.0 10.76525839" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.028860746131042288 0.00880320667328015 -0.006197468475755205 0.00880320667328015 -0.0020474257565698717 -0.0007886573887022981 -0.006197468475755205 -0.0007886573887022981 0.019321385593894694" pbc="T T T" energy=-1038.93065072 free_energy=-1038.93065072 config_type=crystal 
Hf       1.57137000       1.61538995       2.16186003       1.89568457       1.78013002       2.35313471 
Hf      10.86799997       7.22364005       0.09283582       2.16743358       3.74331984      -2.36918064 
Hf       1.56035000       9.17194004       8.25585997       4.23468701       2.43181541      -4.30524105 
Hf       7.58250003       3.40959998      10.48820004      -5.75597284       6.48484609       1.02102067 
Hf       9.37986000       5.28877996       1.91644002      -2.11299985      -1.07592686       3.29589053 
Hf       3.28780001       6.89292000       5.38953995       3.56323152       2.31470723       2.85531685 
Hf       3.71880001       0.15966705       0.08194461       1.49649485      -0.60865291      -1.89173957 
Hf       7.28863995      10.22310002       5.31744997      -2.11101667       0.05829246       3.11207541 
Hf       5.65736998       1.80211003       2.69488996      -4.63284653      -3.53036987       1.47068416 
Hf       5.42640003       1.52756998       7.76510995      -3.84784741       0.68095098       0.16675318 
Hf       1.56725000       9.09374003       2.68024005       0.17987931       3.53229792      -0.37618185 
Hf       3.79004999      10.60249997       5.71983003       0.14613358      -0.60418134      -2.91908094 
Hf       3.57837000       3.87935000      10.69949999       1.83420445      -5.02253674      -0.55053330 
Hf       7.13446997       0.36390498       0.21631000      -1.78945753      -5.26683082       0.71846243 
Hf       9.44479998       1.81551998       2.46880995       2.31851097      -0.21394173       2.62452866 
Hf       5.36480995       5.38780002       8.13223002       0.88115505      -0.21474248      -0.95666451 
Hf       3.81879002       3.48515005       4.88658999      -2.92579702      -2.53109470       1.85882512 
Hf      11.03942504      10.77479999       5.29017005       0.58718468       3.23206286       1.46777493 
Hf       8.97873997       1.23817001       7.94808005       1.40134846       0.02065975      -6.43746485 
Hf       5.23251996       9.20681996       2.69189000       0.30457008       0.89402210      -5.27827354 
Hf       3.13795000       7.02646001      10.53749997       2.95124607       3.12954809      -0.44394302 
Hf       5.68049997       5.33490003       2.36234004       0.25274907       2.44918542      -1.62038473 
Hf       9.04187999       5.44897997       7.32096995       0.49140188      -0.52717333       0.27102075 
Hf       0.23326104       6.94966003       5.25326997      -5.27531825      -1.87974715      -1.21787845 
Hf       5.41640002       8.88397994       8.52997004      -2.43710023      -0.22724522      -1.69348372 
Hf       7.43106000       3.79726002       5.00055004       2.17442755      -3.15531676       0.97769289 
Hf       6.88507004       7.17232995       5.12258996       1.04903843      -0.69740024       3.04505357 
Hf      10.55250003      10.88179996      10.38940005       2.41807631      -2.55878891       4.23005679 
Hf       0.10906002       3.73573997       5.48564001      -1.47434817      -2.09671088      -1.40127144 
Hf      10.89055339       3.52964005      10.05339997      11.05992079      -4.36035980      10.87293300 
Hf       1.99911996       5.01730996       7.65066998      -2.28066687      -0.57089408       1.80148759 
Hf       9.40189001       8.77013003       7.82489998      -1.54059857       3.11575257      -0.93021738 
Hf       1.84314005       1.43539998       8.10471004       0.49710015      -0.10712577       0.30207184 
Hf       7.14992999       7.07776001      10.57359997      -1.09665747       0.66054403       0.64141149 
Hf       9.20848998       9.16124995       2.74751000       0.46697344       2.19706638      -3.48074745 
Hf       2.13239000       5.74144001       2.74149997       5.54369489      -3.05191952      -0.62969325 
O       7.20993005       5.31921997       6.42057999      -1.54883320       1.08568582      -2.42751739 
O       7.73179999       5.25039002       3.51899998      -3.00067183       1.62021496      -0.24183218 
O       5.52425995      10.94920135       1.60763998      -0.23274666       3.06136221      -2.00906420 
O       9.34816998       7.45399004       9.19837998      -0.50374992      -3.57267713       3.64294518 
O       9.55917997       7.26229997       6.70847002       2.89363654      -3.30635044      -2.76924011 
O       6.26111996       7.27414998       1.62509003      -0.41284555       0.16544273       0.36246604 
O       8.02318002       1.94044005       9.51565002      -0.17694602      -3.61571614      -0.83361140 
O       6.92141002       0.90553005       6.85198997       3.34493998      -3.68077490       0.55153752 
O       7.40281998       9.73895002       2.17132000       0.86129587      -0.64196277      -0.30442355 
O       3.39618004       9.73653998       3.26749997       0.58797032      -0.54798317       0.46790535 
O       7.37826997       2.11179998       3.43067997       1.82359494       0.45786314       1.10495175 
O       5.79147002      10.75240003       4.13917995       0.38590001       0.50230714      -0.12025484 
O       6.85224995       2.08778005       1.08729002       1.37794248       0.71453065      -1.92102122 
O       1.53027996      10.93239999       6.79425998      -0.76780846       0.16777265      -0.82114762 
O       7.60605003       8.30307000       6.65782002      -0.37422967       2.85477308       0.03786707 
O       9.10251998      10.45780004       9.16492996      -2.31321257       0.77810591      -2.04521476 
O       9.89575995      11.08780001       3.23891003      -1.67928661      -1.15211588       1.43507857 
O       5.55741004       9.83870999       6.54253002       0.28386205       1.58504151       0.73033912 
O       1.66348996       3.13539004       6.86255995       0.86050257       0.18955054      -2.48305693 
O       9.51486996       3.55849004       3.90689000      -0.82370037      -2.87220106      -3.41215575 
O       8.12447996       2.71113003       6.47525997       2.38697567       2.19396719       0.46138104 
O       3.28677004       8.31745001       8.98365000       0.13386819       1.32716581      -0.13449707 
O       7.39692998       5.38805003       0.99755298       4.77669494      -1.66056610      -0.89449104 
O       9.23863004       3.43701997       0.75323695       0.67628085       0.10865268       1.46641658 
O       0.05312570       1.62669002       0.94973198      -1.59951057       0.09114929      -0.99396722 
O       7.41434997       5.34484001       8.77658995       0.19561443      -0.09645369       2.46353041 
O       9.91976002       3.88644996       8.79335996      -8.86393752       3.25341751      -9.21830924 
O       5.39776996       7.99141000       4.18063998      -0.16531746      -2.28270013       2.42054743 
O       3.80445995       6.04768995       1.39344999      -0.86476427      -2.21523027       0.02502362 
O       4.37383003       8.74114000       0.68850803      -1.30391281       0.71610128       0.16543449 
O       0.37614958       5.90933996       3.02633999      -5.45063255      -0.04031564       0.90900205 
O      10.80100005       8.32428997       3.74714003       2.02610408       0.44791883       1.77096437 
O      11.08690786       5.20345003       7.07303001       0.27226794      -0.66014197       0.06896453 
O       5.52879996       2.84982001       6.08777999      -1.28883575       1.80907910      -0.96528820 
O       5.29696004      10.80687140       9.58160004       1.78335013       0.89046943      -1.66776166 
O       5.55815994       3.13657004       8.79409996       1.58880277       3.24548618       1.57892739 
O       3.47459000       4.98902999       9.07513995       4.03067353       1.69777665       0.52183499 
O       1.58754996       7.20728998       6.47815001       1.00123133       0.72195180       3.06408957 
O       1.80051004       7.78155004       1.09257996      -1.92506850      -2.04889277      -0.43795591 
O       2.37121002       3.16961005       3.42160001       0.14804139       2.16481429       1.12597570 
O      10.61080001       1.69513004       6.69931998       0.17658127       0.46120576      -1.11354722 
O       9.11973002      10.73020003       5.92980995      -1.70154644       0.24479452       0.71467700 
O       1.82251996      10.88479999       9.41100998      -0.17174638      -1.40402146       0.05252191 
O       8.97601002       0.23386901       0.90964000      -0.30481048       1.22438419      -0.97013264 
O      10.76229995       1.17652001       9.16306003       0.36430936       4.50133827      -1.73349262 
O      10.86770003       9.36442995       1.27307997      -0.11590525      -0.67313038      -0.40130474 
O       1.31729003      10.80220002       3.92147004       0.09148960      -0.86167008      -1.05273171 
O       0.17211804       2.06671000       3.50220995      -0.87455714      -0.20016872       0.04861128 
O       1.75941000       5.21515002       5.34146005      -0.94869094      -0.36062103      -2.72816899 
O       5.40487003       7.44710003       6.96465001      -0.57921936      -3.82857574       0.07290828 
O       9.63494998       5.14093996       5.15032999       1.24568638       2.72898301       3.77915390 
O       2.08001997       3.53297997       0.98073700      -1.80051016       0.26555337       1.46498995 
O       3.72293999       5.27141002       6.71925003       2.43705045      -0.07111238      -1.43795688 
O       3.53326004       0.67213497       7.21555998       3.06685815       1.48395178      -0.39941430 
O       1.64714999       6.24718005       9.47762002      -3.57625938       1.43253513       0.34843629 
O       5.29153998       6.79638998       9.60429998       1.05073003       0.03491858       0.27073686 
O       6.89103005       8.96061003       9.77691003       1.86644990      -1.43491338       0.43646287 
O       5.50892000       4.31136001       0.71272900      -1.33710656      -1.71698403      -0.89269054 
O       4.93796002       3.64062996       3.42168000       5.11098800      -1.18862810      -3.59123859 
O       4.08194999       5.61445002       3.93234004      -0.83141998       0.90475532       1.02982503 
O       0.06725326       8.97376998       9.38012004      -1.47903633      -0.88683957       1.68536416 
O       3.56409996       1.66310003       9.25967004      -1.09843930       0.90654168       1.29928374 
O       3.23104999       8.87092996       6.54596005      -0.49332636       0.00772607      -1.79163137 
O       1.76313996       3.50116999       9.16297003      -3.25638503      -0.64684054       1.12781268 
O       4.26578999       1.85130004       0.86688104      -0.32023679       2.11636636       1.78679627 
O       3.90519996       1.43129995       4.47889996       0.44640046       0.33543101      -0.09462715 
O       2.18609005      10.99460004       1.18821001      -2.01285607      -0.49279223       2.35857657 
O      10.97948035       9.38375996       6.68241002       0.22094416      -3.20121901       1.32437911 
O       2.36116995       7.53283997       3.75002996      -1.50193270      -1.04336487       0.41845917 
O      10.91459996       5.26790998       0.61471402      -0.31144302       0.25548887      -1.45910470 
O       9.31217998       7.27545004       1.28814003      -0.99113427      -0.81439662       0.87579119 
O       8.19796997       8.34852994       4.20965999      -1.14898480       0.04054385       1.31266783 
108
Lattice="11.09947501 0.0 0.0 0.0 11.09947501 0.0 0.0 0.0 10.76819276" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006770149657148211 0.0012407631619336635 0.008656237926549577 0.0012407631619336635 0.013480888061651588 -0.0008359693011443549 0.008656237926549577 -0.0008359693011443549 0.013652294507379696" pbc="T T T" energy=-1048.04784579 free_energy=-1048.04784579 config_type=crystal 
Hf       2.11104001       1.57686001       2.72037004      -1.70997028       0.04335393      -0.20656885 
Hf       0.17770104       7.53931995      10.53570005       0.47874220      -3.74989303       2.01305245 
Hf       1.87943004       9.23371997       8.03055000      -0.46644758      -0.57131741       0.07711622 
Hf       7.13846996       3.71507997       0.19672896       1.36530011      -1.78016152      -0.92844379 
Hf       9.13945002       5.59435995       2.52650004      -0.12466808      -2.82102856      -5.07695192 
Hf       3.39263001       7.43126002       5.25526001       1.07700041      -1.06036081       0.78417563 
Hf       4.00320004      10.75019995      10.61619175      -1.00609953       0.65465847      -0.22648448 
Hf       7.11572003      10.71070003       5.41687002       3.14863932       1.57103225      -1.53869213 
Hf       6.08884999       1.37117997       2.61963995      -1.38326124       3.64584220      -1.19691746 
Hf       5.40324996       1.47417000       8.04470005       4.91158740      -1.98914118      -0.73417694 
Hf       1.96697004       9.05750004       2.65153997      -0.59787667       0.48151117      -0.05716198 
Hf       3.28989005      11.02230003       5.55074999       0.98768035      -1.87096336      -0.61445890 
Hf       3.69010005       3.34908999      10.69880005      -1.01936541       1.64234520      -0.06723655 
Hf       7.62007996      11.09249999       0.05490723      -2.44086522      -1.46975402      -7.00636674 
Hf       9.50650000       1.79129998       2.04892003       2.45310537       1.41852035       1.23124773 
Hf       5.48767002       5.19505001       7.77170999      -0.72464723       1.69086610       0.20932979 
Hf       3.71305998       3.30625001       5.37833001       0.76659212       0.56993812      -3.82692378 
Hf      10.83229999      10.81419997       5.11809994      -1.13556525       0.34591017      -0.36759512 
Hf       8.74573000       1.84951995       7.92640004       5.33202832      -2.14279536      -1.16139811 
Hf       5.57472997       8.73588998       2.60022996      -2.29308491       0.59233757      -0.50702682 
Hf       4.04955000       7.24470004      10.76050416      -2.72138844      -1.93318998      -0.21882461 
Hf       5.26926998       5.21711998       2.87657000       0.06618873       0.83360298      -3.59492262 
Hf       8.85372001       5.42138995       7.59827996       0.26355802      -3.63907306       1.49087224 
Hf      10.77970002       7.02816005       5.15650998       3.53755916       2.16092129       1.69485827 
Hf       5.61388004       8.76744001       7.77482997      -2.99576440       2.70723763       0.08631027 
Hf       7.14403002       3.43821001       4.96291995       0.54477176      -1.43468557       2.81560203 
Hf       7.25411994       7.01334003       5.01550997      -1.63180934      -2.00881047       1.58331505 
Hf       0.12917303      10.81000004      10.63200000       1.48936094       2.67089569      -0.78163933 
Hf       0.13872202       3.65099005       5.35169004       0.76201471      -3.02303798      -0.26816474 
Hf      10.91990504       3.40886000      10.07000005       3.14263722       2.38733831       1.23192158 
Hf       1.55839004       5.37661000       7.98416999       1.76386794       1.32070710      -0.87433776 
Hf       9.25436000       9.22819998       7.91597998       0.85313512       1.13801802       2.89410900 
Hf       1.72253996       1.94421002       7.76814001      -0.05569125      -4.57539612       2.27217026 
Hf       7.69515003       7.17621994      10.08820002      -3.01336446      -1.86218128       0.09995634 
Hf       9.01702003       8.95700995       2.31105995       0.19958415       0.90856840       0.09362398 
Hf       1.56668002       5.60613005       2.22846005      -0.37964682      -2.04428182       0.44211605 
O       5.73607005       7.43940004       6.30490996      -0.66725537      -0.00403462       0.13430475 
O       7.10596004       5.18054999       4.06088998       1.04460939       1.02463151      -2.47393450 
O       5.91148005       0.27728897       0.79016503      -3.35624315       0.24843584       1.46553063 
O       7.18672005       6.14312998       8.49808996      -1.59830991      -0.74760785       0.68572650 
O       9.11036995       6.43500000       6.00579002      -0.77339896       3.71268102      -4.78715631 
O       4.13867002       8.94339999       1.16404002      -0.68151069       1.91267450       0.27837585 
O       7.67374004       1.80252999       1.15211005      -1.01844278      -0.33620442       1.26023954 
O       7.18795997       1.48786997       6.98336996      -4.47205232       0.46857957      -3.25746124 
O       6.98970004       9.02153996       1.33105997       3.73807430       1.20514487       0.78251010 
O       1.91194995       7.44601000       1.04590003      -0.49035470       0.10285634      -1.90457115 
O       9.14610005      10.53680000       3.73258996       0.85673184      -1.50041323      -1.62615395 
O       5.46576998      10.86029997       3.26120005       0.08645359      -2.89438217       1.73472353 
O       7.46469996       1.45923999       4.08346000      -0.31143457      -0.04739119       0.41801292 
O       1.53791995      10.69764604       6.59137996      -0.01078573       1.73916159      -0.81608447 
O       7.43912000       9.18651002       7.25842998       0.17321847       0.18266496      -2.77683335 
O       9.42923001      11.01759940       8.92410002       0.61044505      -1.40953729       0.14301476 
O       9.34299996       0.09932498       0.85235296       2.65985443      -1.31828304       1.66383749 
O       5.55874995      10.88679997       6.47500002      -2.72832583      -0.93298738       0.26750275 
O       1.85751002       3.37833000       9.00783994       1.49433125       2.53610584       1.42094840 
O       8.63124002       3.54418003       2.65801995       0.96883798       1.30139773       2.58347332 
O       8.81750997       3.18989999       6.31804995       1.10068763       1.89890167      -4.23272904 
O       1.63342005       7.44428003       6.14744000      -1.17467384      -1.07524257      -1.01514726 
O       7.41159996       5.42965994       0.89517602       2.06232639       0.07050268       0.65327091 
O       9.39945999       3.37141004       0.37703502      -1.68815699      -0.88269523       2.11112526 
O       0.46498398       1.36406998       1.40423996      -2.35259953      -0.55482067      -0.33134853 
O       7.13098004       5.22009997       6.43142998      -1.16513081      -1.30385067      -0.64968257 
O       7.47398001       1.41151003       9.25470001      -3.06518755      -0.09696005       4.46097730 
O       5.48693002       7.17294005       3.85871996      -2.98814058      -2.79588481      -1.71211158 
O       5.47315002       6.69415998       1.16229999       0.20518804       1.41271544       1.08715894 
O       3.14515001       9.09552995       9.47755002       1.45418341       0.47553014       1.91724571 
O       0.01812500       5.33306998       4.05250995      -1.43505249      -0.28100404      -0.92941765 
O      10.62710000       8.98880994       6.56395003       0.15934823       0.23186407      -1.84220626 
O      11.01497981       5.15522997       8.99007996      -0.55341129       0.03506534       2.41676827 
O       5.28619002       3.55121998       6.53761997       1.64802862      -0.17622304       0.95346012 
O       5.71950997      10.48509998       9.28125997      -1.86565195      -0.08718925      -1.28153842 
O       5.81143005       3.99598005       9.43199001      -0.01191508      -2.00902328      -0.21230339 
O       3.87576996       5.30515003       9.96833000      -1.76434593      -0.86777181      -0.20423595 
O      10.96269995       5.21505004       6.65004001       2.09011383      -0.80904988      -1.08622051 
O       3.35707995       5.27837998       1.74361000       2.49752593      -1.07617883      -0.00994720 
O       1.87048997       3.34887000       3.75122001      -0.35113190       1.37324191       0.71334620 
O       0.07022494       1.90322998       6.82169997      -0.81462596       1.24061809      -2.06426914 
O       8.87669004       0.13515997       6.17146997       2.82449082      -1.55544015      -0.07325567 
O       1.92101999       0.07527708       9.16334998      -0.82666536      -0.33931809       0.02763076 
O       8.71638998       3.66395002       8.62712995       0.52062190       1.51394452       2.43092696 
O      11.08980004       1.68371999       9.35006000      -0.09165562      -1.47214783      -0.10946550 
O       8.84786004       7.21572997       0.72674501       5.38695326       1.15673540       4.17282494 
O       1.87037997      10.95460000       4.14891995      -3.03667473      -0.27906052      -2.76016131 
O      11.08469994       1.63724005       4.00304002      -1.75503319      -0.06970640       0.59473402 
O       2.13811995       3.58893000       6.56726997      -2.42560765       1.07112474      -1.16080320 
O       3.53860998       9.14815001       6.71212995       1.29212463      -0.61297067       0.63014904 
O       9.34369002       7.12440005       8.41751997       0.48861141       2.31794912       2.56050900 
O       3.60981000       1.56545997       1.06498999      -0.74085057       1.21666043       2.01055850 
O       3.65441002       5.87669996       7.05110996      -0.34729617      -0.46148613      -0.04086113 
O       3.89366997       1.62564998       6.84765002      -4.26711286      -0.92860679      -1.38426610 
O       1.46878998       7.29507001       8.71621995       0.35420774      -2.38438525       1.16430906 
O       4.90317000       7.47726001       9.01964996       2.53402972      -0.77525283       0.05890778 
O       7.93662999       8.94934998       9.83889999       0.43330829       4.29276328      -1.52366276 
O       5.64244998       3.69466005       1.55688997      -0.57620979      -2.14010955      -2.58418147 
O       5.29286002       3.02908003       3.83132998       2.45642705       0.30230551       0.70415758 
O       4.27732999       5.18032000       4.40956998      -4.08325450      -0.35940116       4.12382999 
O      10.93363997       9.10733002       1.22216005      -0.76842777       0.07087336      -0.27198695 
O       4.10700998       1.59263004       9.42834002      -1.16275374       1.54329890       2.35174846 
O       3.50280995       9.29266995       4.15770001       0.46814102      -1.89786663      -0.69133625 
O       1.30143997       3.74320005       0.86002799       0.87967962       0.93783819      -0.58366584 
O       2.09627005      10.61840001       1.19385004      -0.17520296      -1.58447283       0.37320256 
O       3.51318996       1.57217004       4.29157999      -0.01764957      -0.88621978       0.83819840 
O       0.02256079       8.61102999       3.92559000      -0.07143951       1.54528527      -0.64687924 
O      11.06916878       8.91337003       9.31350995      -0.55949679       4.98275059      -0.35470854 
O       2.07953004       7.14455003       3.44657998       1.54186254       0.06525288       1.94794095 
O      10.85236396       6.08867995       1.48660005      -1.02677756      -0.55982144      -0.13492411 
O       8.74205995       7.26000000       3.39511997       1.12864661       0.29073437       1.40358707 
O       6.91493997       8.63561000       3.99564001       4.66734609       6.22517827       3.22325790 
108
Lattice="11.0999317 0.0 0.0 0.0 11.0999317 0.0 0.0 0.0 10.76863582" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0036285368320361404 -0.0017377104270875153 0.009837960431684263 -0.0017377104270875153 0.0011406653775084222 -0.0020005842604291233 0.009837960431684263 -0.0020005842604291233 0.022571026540097173" pbc="T T T" energy=-1047.74409555 free_energy=-1047.74409555 config_type=crystal 
Hf       1.89682004       1.74196001       2.38978998      -0.45903953      -2.10974186       1.03502361 
Hf      10.92840002       7.50710004      10.33659998       0.66082602       1.21086484       1.26823880 
Hf       1.98567000       9.21594995       7.44040004      -1.34808770      -5.01431396       1.03291954 
Hf       7.20704002       3.27458996      10.42890001       3.13848271       0.29228296       1.28181356 
Hf       9.31188999       4.96942999       2.86097003      -3.42554290      -0.66452094      -0.64560053 
Hf       3.79111996       7.03681003       5.35030000      -1.50210439       1.45553949       0.25079910 
Hf       3.80486001      10.92760004      10.18080000       1.08545744       4.41588582       0.85683741 
Hf       7.49303997      10.95830001       4.96909999       1.12073295       0.28289789       1.25941038 
Hf       5.49009004       1.83569005       2.15656998      -0.71274156      -1.17824350       4.98700530 
Hf       5.24365003       1.84078004       8.01090998      -0.44642454      -3.94614239      -0.98889374 
Hf       1.88034996       9.15764001       2.64879000      -1.57450715      -1.74990217       1.98839502 
Hf       4.02951996      10.63299998       5.08679999      -1.20064050       3.49203873       1.26992654 
Hf       3.31019999       3.62180004       0.24328997      -1.25303804       2.78145248      -5.67094427 
Hf       7.46642001      10.80470005      10.45669999      -0.37585031       0.07495934       0.49274349 
Hf       9.47890001       1.48889000       2.34598005      -1.63679309       0.00308940      -0.76674736 
Hf       5.62734003       5.12825003       7.97022995      -4.09201175       4.06939185      -0.04968995 
Hf       3.62350999       3.60537004       5.39462996       2.84244095       0.32299014      -0.87246469 
Hf      10.98000005      11.04539996       4.94981002       1.73339218      -1.66337577       0.89144514 
Hf       9.24567002       1.44223999       7.90314996       2.70656414       0.71904574       0.12012755 
Hf       5.64078005       9.00143001       2.69386998       0.87492340      -1.19852528      -1.27147786 
Hf       3.35426006       7.33892997      10.53859999      -0.81454121      -0.28184900      -2.56694773 
Hf       5.39268004       5.13733000       2.38750003       1.77988595       1.35293822       1.77926318 
Hf       8.78543000       5.34549001       7.98506999       3.79519347      -2.18931999      -1.69282022 
Hf      10.89640002       7.33595996       5.10717005       0.79430593       0.53169748       0.23358938 
Hf       5.71172005       9.11656005       7.63746004      -3.95742895       0.37147800       2.64573057 
Hf       7.13818004       3.29951997       5.45282000       2.45218158       1.75195299      -2.70243253 
Hf       7.13484995       7.34541998       5.22094995       1.93111585      -3.20605774      -0.19971011 
Hf       0.17010501      11.02070005       0.25989704       5.17165107      -7.99883130      -4.81238690 
Hf       0.33479203       3.94666996       5.47293000      -1.96607100      -2.19844174      -1.02723880 
Hf      11.04015735       3.68747002      10.66021579      -2.13718323      -0.14695820      -0.85629581 
Hf       1.64128996       5.38489999       8.08399003       0.61684526       2.97438498       1.87490261 
Hf       9.07765002       8.72696000       7.67360002       2.33135679       2.94432145      -0.66446442 
Hf       1.75307004       1.68876004       8.00340004       1.14408355       1.21779263      -0.12154280 
Hf       7.07591997       7.38899998      10.47969997       0.68608278      -2.43351134       2.37049889 
Hf       9.08964005       8.68230997       2.42910003       1.75712580       1.25586236      -0.79876942 
Hf       1.79214003       5.50470999       2.66559004      -0.82518720       0.21416489       0.04828644 
O       5.57096004       7.52266003       6.37693996       0.19582878      -1.03184528      -1.54596377 
O       7.71077002       4.84411997       4.13314996      -0.43851808      -0.37985321       0.76722088 
O       5.44441005      10.75489998       0.64973103      -0.38402916       1.05225133       1.29781186 
O       7.54408001       5.42460000       9.42450999      -3.24809143      -0.07241664       1.38162019 
O       8.92162005       6.68122005       6.27109999       0.57602198       2.70303019       1.10038476 
O       2.99443002       8.72433997       1.08381000       0.88605754       1.87608505       1.48543732 
O       7.29074006       1.75932996       1.74923997       2.14316477      -0.65969088      -2.44102772 
O       7.75782995       2.01175995       6.93724996      -1.49670304      -0.31545878      -0.31938253 
O       7.33395997       9.17616002       1.40808001      -0.00688095      -0.83081762       0.41593449 
O       1.52439003       6.84026997       0.66500397       0.26696967      -1.57744599       3.36238069 
O       8.94845003      10.85759366       3.41008000       0.48725793       0.03466116      -0.81182357 
O       6.00320004      10.67999997       3.62585998      -1.89121548       0.46507024      -0.89850715 
O       7.33688003       1.73329996       4.37671001      -0.67920754      -1.95940019      -0.21778293 
O       2.21801000      10.94140003       7.99563004      -1.04919501       2.38558761       0.62503550 
O       7.33654004       8.97696997       6.64419004       4.34298854      -0.33166185       0.61071270 
O       8.58521997      10.77389996       8.67858005       0.81543992      -0.95332680      -0.83710182 
O       9.41724000      10.90808370       0.38558296      -5.46816620       0.60583445       0.55359921 
O       5.73124006      10.86535673       6.35838000       0.61490157      -0.03630785      -3.63541274 
O       1.69684001       3.61081000       9.64649002       0.73753137       0.52627843      -1.79284410 
O       9.60733998       2.66595995       3.78561001      -0.67719227       4.90480859      -0.64654236 
O       9.68591995       3.85557004       6.23112003      -1.68779584       0.50091577       1.77341707 
O       2.30174000       7.01591995       6.84778995       1.47880027      -0.87652552       0.10869893 
O       7.12237995       5.38452004       1.46308997       1.31851772       0.26902410       0.06688942 
O       9.13064997       2.92677005       0.60666198      -0.10233125       0.59186757       1.18356282 
O       0.07599790       1.45115001       1.10810996      -1.38586436       7.75414395       4.02466349 
O       7.11274999       4.96498002       6.80129001       2.50320743       0.97884896       0.50199676 
O       6.88397995       1.39784004       9.47505000       0.45774196       2.45173192       1.73130546 
O       5.68601005       6.92382005       3.90198999      -0.13611281       1.13198975      -2.16252617 
O       5.24237997       7.18373005       0.95898503       0.12010862       0.75142046      -0.55575258 
O       3.49284004       9.41698004       9.31511002      -1.26706395      -7.55097374      -1.54011087 
O      11.08161359       5.14987003       3.70299002       1.62867158       0.71851350       3.12487551 
O       0.06156832       8.63390006       6.70970998      -2.07325278      -0.50402437      -0.41993144 
O      10.99350000       5.38897999       9.32763997      -1.32159737       0.20053449      -0.80919175 
O       5.42985005       3.22182000       6.45077996      -1.31862839      -1.04079789       1.25736338 
O       5.35866996      10.86059997       8.51562000      -1.74392247       2.76810387       2.61993428 
O       5.56107999       3.56299005       9.08349001       0.58670355      -0.89388165       0.97809526 
O       3.33555001       5.31460001       9.17143003       1.35831280       0.37165954       0.90950196 
O       0.32722399       5.75015001       6.29495005       0.11806349      -0.17126036       0.30839425 
O       3.41935006       5.23075002       1.64886003       1.22090847      -1.03727250      -4.02769923 
O       2.08244997       3.44083997       4.24243998      -2.26405989      -1.09241353      -3.46684680 
O       0.04156836       1.57483999       6.26625002       0.99802410       0.37177941       2.06517715 
O       9.41040999      10.67379999       6.09529997      -2.25305143       0.12353129       1.13749794 
O       2.12787000       0.84753395      10.58770002      -0.77828622      -2.05610872       1.77553534 
O       9.00460003       3.36923997       9.05903003      -0.86781664       0.09786089      -1.91495605 
O       0.21513999       1.87087995       9.16122998      -3.77031308      -1.53810067      -0.46745930 
O       9.03526004       7.28586996       0.55214500      -0.94536864       1.41902764       3.01502735 
O       2.00964996      10.37969998       5.17583001      -1.54362870      -0.32104267       0.53681672 
O       0.12179800       1.17834000       3.58071000       2.44466998       0.83617509      -1.62864091 
O       2.09647995       3.80807999       6.66327002      -1.07061327      -0.05412572       2.45746972 
O       3.79787005       8.94806997       6.63909002       0.44881195       2.17620191      -1.24636228 
O       8.95139995       7.42528000       9.17073998       0.34295147       0.30314396      -4.38571381 
O       3.77751000       2.28263003       1.41696004      -2.57347858      -2.73657435       0.63989827 
O       4.46051999       5.43297002       6.14968998      -0.31335709      -3.17225606       1.99405181 
O       3.48803998       1.35338004       6.46054000       0.91397867       1.98807053      -0.57349024 
O       1.48058004       7.41754001       9.24383005       2.96451156      -1.27147306      -2.57665595 
O       5.21907000       7.02798003       8.73074999       1.73484207       0.32928278       1.77110866 
O       6.77894995       9.12684003       9.58321997       0.64267997      -1.28658036      -0.67735034 
O       5.51430998       3.65272001       0.93446603       0.03833059      -0.80509497      -0.93516525 
O       5.40408999       3.39751005       3.71695995      -0.75067138      -0.26603625      -0.90577203 
O       3.62260002       5.38247998       3.86738003      -1.82040190       1.10638171       1.32080255 
O      10.95520768       9.15030995       1.35939996       0.01958324      -2.14797116       0.08875767 
O       3.55748005       1.82210995       9.18610004       2.74498048       1.18911444      -1.17634050 
O       3.96524003       9.04833998       3.89164004      -0.29977565      -1.41350673      -1.82152308 
O       1.52417003       3.36902996       1.16073995       0.84804217       1.62003151       3.05670385 
O       1.39212002      10.85290006       2.12477999       1.10516782       0.91259530      -0.74611247 
O       3.46550002       0.84956502       3.34474001       1.37390675      -0.24175939       1.24550352 
O      10.94580005       9.12761003       3.91227005      -0.66595629      -1.31047302       0.22264444 
O       0.24332205       9.34114996       9.44807004      -1.89667365       0.72060951      -0.06397999 
O       1.81359997       7.51229003       4.37985004      -0.79348015      -1.54752708      -2.52637609 
O      10.70359998       5.12938000       1.41051996       0.46519937      -0.64874292      -1.69402348 
O       8.99557002       6.99467002       3.51237999       1.98520009      -0.32155401       0.05789153 
O       7.67199995       8.92959003       4.25621996      -0.84083202       0.46283833      -2.08388277 
108
Lattice="11.09964644 0.0 0.0 0.0 11.09964644 0.0 0.0 0.0 10.76835908" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006076540877958116 0.0024879174107594122 -0.004066990645979098 0.0024879174107594122 -4.799196855188564e-05 0.0022244334511762214 -0.004066990645979098 0.0022244334511762214 0.051292723144946296" pbc="T T T" energy=-1042.61406577 free_energy=-1042.61406577 config_type=crystal 
Hf       1.75155995       1.66155003       2.53081001      -0.37515022       2.86662824       0.82247752 
Hf       0.13517405       7.23013998      10.39739999      -0.47617011       1.16468544       5.32759228 
Hf       1.64362998       9.40469003       7.72420998       2.79008582      -1.38573486       0.94798135 
Hf       7.54331994       3.77248001      10.27380001      -2.44589647       2.38539968       1.38790508 
Hf       9.63471000       5.24312001       2.48319997      -2.66444681       3.11548166      -1.00303897 
Hf       3.50591002       7.07775005       5.00146000       3.50275415       3.04395773       2.64854644 
Hf       3.44579999      10.96799997      10.30210001       1.13037073      -2.46671341       2.15633396 
Hf       7.09955996      10.66150000       5.52187002      -1.13294377      -0.27983774      -2.75143500 
Hf       5.36284002       1.58694997       2.27356996       1.53619036       1.91917691       1.60262954 
Hf       5.54934005       1.83789000       8.17563004       0.11256628      -0.16702396       0.06629297 
Hf       2.00925001       9.41963004       2.63642995      -0.93548644      -2.93829650      -2.28635074 
Hf       3.82058999      10.94799996       4.89954997       0.69445539      -0.55189712       2.72959500 
Hf       3.60108005       3.62806995      10.65241907       1.92226796      -0.24711703       2.61335452 
Hf       7.17928994      10.95539999      10.64987407       5.85263629      -6.45550757       2.13202093 
Hf       9.16934000       1.49753999       2.45739005      -1.06894846      -0.41817908      -0.03138662 
Hf       4.95120996       5.29556995       7.76098995       3.04529689       2.66880154       2.07743911 
Hf       3.46405003       3.13481998       5.26685999      -0.94116911       2.40599621      -2.82047627 
Hf       0.07606566      11.06024270       4.90877996      -1.42518731       0.62821054       3.19830714 
Hf       9.30945994       1.32610995       7.79405000      -1.06510357       1.65215380      -2.96686477 
Hf       5.73370995       8.75285996       2.56770004       1.60488802       0.44314383      -1.28547025 
Hf       3.67515998       7.32556996      10.61039996      -0.98680396       0.21437838       3.32652999 
Hf       5.47272996       5.00568004       2.64455996       3.26638362       0.67116335      -1.74531818 
Hf       9.14793001       5.60300995       8.03934999      -3.59898901      -3.96980051      -2.05491655 
Hf      10.97239998       7.45419000       5.57776998      -4.50245890      -0.91072079      -3.90518708 
Hf       5.55362995       8.76867995       7.60235996      -4.10347625      -1.42008952       0.10381029 
Hf       6.99218997       3.14893995       5.30622997       4.32603021       4.84182181      -3.51972830 
Hf       7.52725998       6.91043997       5.20377001      -1.29255407      -1.91520388       0.29101462 
Hf      10.83510002      10.87149998      10.75521974       1.26167135      -0.38831824       0.95272607 
Hf      10.75570003       3.70752999       5.27887996      -0.06851801       0.17388756      -1.88170599 
Hf      10.91519995       3.42172996      10.54589996      -1.97416484      -0.05029571       2.52899207 
Hf       1.52488996       5.41944999       8.05225005       0.23045761      -5.46264704      -5.71899327 
Hf       9.19649995       8.89664001       8.22846004       0.15706264      -0.35947393      -1.57839934 
Hf       1.79370997       1.67476005       8.00605002      -1.32863847      -2.13119025      -0.59152607 
Hf       7.10304003       7.04268005      10.39180001      -0.59850909       2.95904379       3.28503502 
Hf       9.74951997       9.30654995       2.83938003      -7.10389631      -4.14097630      -6.62701854 
Hf       2.01107002       5.23901003       2.86075996      -2.64931431      -1.52055951       0.27209889 
O       5.85234997       6.79160005       6.64245002      -2.22877199      -0.44117041       1.98145932 
O       7.06742005       5.36469999       3.83567001      -2.66127765      -1.01384141      -0.54271323 
O       7.07754004       0.71440299       1.63460999      -0.54878166       1.11218613      -0.00624090 
O       7.04679002       5.53003999       9.14300999       2.41855676      -2.15903147      -0.41035325 
O       8.99066999       7.35379004       6.93831004       0.17775609      -0.49412427      -2.38379065 
O       4.55335002       9.95818999       0.88219405      -1.34700128      -1.27193167       2.29532886 
O       9.04799001       3.28802995       1.46328001      -0.60911780       1.34914970      -2.07636186 
O       6.73548002       1.77188995       6.48757001      -0.43338246      -2.45114455       0.98235244 
O       7.03692999       8.94818998       0.72076999       0.35862087       1.53079502       0.80308698 
O       2.05532997       8.59720995       0.13949203       1.35349303      -0.58116833      -0.13956286 
O       9.52484004      11.02319996       3.88141002      -0.41583010       0.20655556      -0.83742529 
O       5.56959003       0.33344204       4.07199996       0.29928622      -0.91381911       0.18100189 
O       7.77401000       2.03750005       3.70739000      -1.67643688       0.98543638       2.55260344 
O       2.30398003      10.81609998       6.65406004      -0.90570862       1.25002053       0.71140872 
O       6.92357995       8.81898000       6.30360002       2.87178588       0.26675721      -3.18004350 
O       9.02272000      10.29009994       9.57362999      -0.10403435       3.38890843      -0.60374556 
O       9.20226999      10.87529994       1.13008997       1.37805405      -0.41376289       1.33052444 
O       5.67891000      10.72830000       6.92635996      -1.61870431       0.96144399       0.85838021 
O       1.64014003       3.15155003      10.02910003       0.44012191      -0.80402600      -0.99347674 
O       8.99805004       4.48004995       4.07879996       2.00139529      -4.51746241       2.89565343 
O       9.12145003       2.81183003       6.16729004       0.56234207      -1.06125338       0.86193634 
O       1.39486005       7.57744003       6.51606998       4.37833547      -1.99207501       3.99064878 
O       7.95374003       5.63782999       0.83524605      -0.74338838      -1.52078533      -0.81424779 
O       0.15419296       4.91432995       1.38242999       0.89711632      -1.59960804      -0.42529802 
O       8.91085998       3.65714004       8.79652005       2.58821661       0.32360551       1.98549030 
O       7.53935004       5.00100997       6.75787003       0.54554463      -0.54338668      -2.01407634 
O       7.55576997       1.83861004       8.84902000      -1.38966910      -1.99748501       1.63221729 
O       5.86565001       7.29402999       4.15046005      -2.55816899       2.74966284      -1.90345779 
O       5.31789000       7.32237005       1.19792998       0.06368062      -0.46455466       0.98778516 
O       3.47107999       9.33376994       8.89306001       1.50686025      -0.45026464       0.05499181 
O       0.06667291       5.28317997       4.03630996       2.67249551       1.33827502       0.02488713 
O      10.80449996       9.15636996       6.66604005      -0.38180234       1.71370285       1.00526182 
O      10.88529995       5.29087002       9.77182003       1.07109341      -0.54190802      -2.80409463 
O       4.90255999       3.61114998       6.87025003       0.74494561      -2.29793792      -1.80254580 
O       5.58693999       0.39060999      10.12659998      -5.26984836       2.81865522      -4.85913765 
O       5.50048995       3.67526998       9.38232999       0.21420489      -2.42326007       0.07639616 
O       3.36639001       5.62964999       6.49157002      -2.00439380      -0.66521752       0.57245569 
O      10.75739994       5.36717998       6.87112000       1.72986844      -0.17062937      -0.98203528 
O       3.29195001       4.80495003       9.13642998      -0.64895381       0.66878006      -2.65884494 
O       1.64018998       3.32866997       4.14861996       1.79497639       0.71523694       2.84073844 
O      11.05029996       0.97299501       6.59747996       0.24316081       0.49841074       1.52413424 
O       8.76924004      10.63310000       6.37256005       1.98713178       1.81053806       3.69953802 
O       1.65698996      10.94939996       9.30413005      -2.67337342       1.11254957      -1.03870337 
O      10.71890004       1.53483003       9.18325996       0.43641472       0.31852619       0.46567671 
O      10.75154244       1.68007001       1.12638005       2.90686773      -0.02349879      -1.72149469 
O       9.57761996       7.60225995       1.42694003       1.47407026      -0.92440330      -0.58437511 
O       1.94501003      11.08982014       4.31902999      -1.57035693      -1.88600454      -3.86147292 
O       0.02284074       1.78421999       3.79953000      -1.34215472      -0.84238998      -0.38991107 
O       1.38542002       3.24913002       6.76549005       1.02505871       0.38350110       1.45534126 
O       3.70510005       8.67487995       6.38783002       0.54848555      -0.15248927      -0.77393084 
O       9.35452995       6.99246003       9.30190003      -0.99964239       4.19022884       2.58346233 
O       3.96746994       1.48003995       0.96744596      -1.79109230       1.16801202      -1.48424456 
O       3.94144005       5.50755998       3.72001999      -2.83798070       0.21080970       1.15029535 
O       3.79168995       1.57802996       6.20490995      -0.17865614      -1.92423000       0.91558680 
O       1.83474003       6.66897005       9.18599997       0.82370415       6.38110895       4.62621599 
O       5.24634002       6.83877999       9.48875002      -2.15617911       0.85183873      -1.98402791 
O       6.76928998       8.90555003       9.11415003       2.83552530      -0.15356685      -0.73884389 
O       6.08673998       3.38390004       1.27312005      -0.76217641      -0.38857227       0.33548393 
O       5.10005001       3.35111002       3.74867998       0.72201378      -1.56998353       2.09613323 
O       4.09782996       5.33478999       0.87981004      -0.45917019      -1.98945643      -1.06882215 
O       0.36135998       9.16998001       1.54249001      -2.15940848       1.77483032       0.32897136 
O       3.52518000       1.53511995       9.02292997       1.06320932       1.34196594      -1.31728615 
O       3.79129003       9.07526995       3.69877003       1.44435921       1.80360195      -0.99534340 
O       2.50924002       3.47677000       2.01201997       0.35877799      -0.48274605      -3.19487315 
O       1.61625004       0.06868606       1.26780996       1.51076388       0.08166944       0.46459225 
O       3.47208995       1.52752002       3.53157995       1.21372068      -0.67258786       0.87121291 
O      11.09117808       9.00238001       4.00909002       4.19417011       0.43994330       4.47587193 
O      10.95639995       8.88751998       9.36700004       0.80052762       0.78338782      -1.23444056 
O       1.97750002       7.60994002       4.07181001      -2.28684811      -0.84837024      -0.71059512 
O       2.16525998       6.67249996       1.74375000       0.22101164       2.41647396      -2.69591412 
O       9.22249000       6.98402996       4.08607001       0.62307040       1.94364861       0.88489105 
O       7.51981000       9.42450001       3.42984997      -0.43377505      -0.21641684       1.02684820 
108
Lattice="11.09887315 0.0 0.0 0.0 11.09887315 0.0 0.0 0.0 10.76760886" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.029440764755665573 -0.0049482401047903244 -0.005167808799922292 -0.0049482401047903244 0.0034123371662171244 0.006992222851439576 -0.005167808799922292 0.006992222851439576 0.01211350683691115" pbc="T T T" energy=-1042.08176152 free_energy=-1042.08176152 config_type=crystal 
Hf       1.59684005       1.82083995       2.29330999     -10.12946852      -0.21733110      -3.83591683 
Hf       0.04264298       6.89001996      10.26150002      -0.84782911       0.53612654      -0.48657375 
Hf       1.75325003       9.11950000       7.88868997      -2.37738366      -1.93701276       0.80830978 
Hf       7.51617998       3.25233998      10.40700002      -1.62416340       0.77974706       0.48763259 
Hf       8.96549004       5.16312997       1.82017997       1.99921916      -0.40748953       0.86913688 
Hf       3.73856996       7.23126003       5.08634999      -0.48665563      -0.88191492       1.17719654 
Hf       3.47238002      10.66239997      10.28069996      -0.92062681       0.77887339       0.23759707 
Hf       7.02309001       0.00559905       5.16078001       4.00675749      -0.41755717       0.11223640 
Hf       5.05793996       1.79314005       2.55424996       3.13568487      -1.37249035      -3.26719410 
Hf       5.60747003       1.70370999       8.05454000       1.37852740      -0.31001338      -4.23911991 
Hf       1.63491995       8.82415000       2.28419004      -1.86430993      -1.67430869      -0.07407724 
Hf       3.80212999      10.84010004       5.20237001      -0.72655441       2.13612191       1.11047605 
Hf       3.88090002       3.58941997      10.54420003      -0.41033685      -1.57965245      -2.06838223 
Hf       6.84817000      10.89659996      10.68070004       4.29461657      -3.50041832       5.04325956 
Hf       9.31387002       1.45502997       2.58853995      -2.25495344      -0.18304457      -0.12299755 
Hf       5.44706001       5.19838998       7.45436996      -0.83138277      -0.73026429       0.47433454 
Hf       3.66850000       3.47531002       5.08320003      -0.14134554      -0.78422647       0.39648103 
Hf       0.23797405      10.83159996       4.94898997      -1.68752322       1.40451455      -0.67433529 
Hf       9.45738999       1.33801000       7.78486998      -0.50200271       2.78083175      -1.84898439 
Hf       4.80855005       9.34022995       2.46353997       5.71536914      -0.87558756      -4.37332193 
Hf       3.30926999       7.00985006      10.47259996       1.33353901      -0.23535089      -1.76175134 
Hf       5.54602001       5.99058005       2.78907999      -0.50326277      -1.23022283       0.12134764 
Hf       9.21027003       5.25218001       7.69964995       2.14214052      -1.03834185      -0.28787437 
Hf      10.65919995       7.01411003       5.10382000       2.95775910       0.03292843      -1.57770459 
Hf       5.77121004       8.93657004       8.12261003      -0.74184876       1.54536122       0.11793924 
Hf       7.33917005       3.40962999       4.84615995      -2.27115720       1.15771699       0.95231341 
Hf       7.51011001       7.28042005       5.72657005      -0.24787455       1.16682604      -3.56995139 
Hf      10.86590003      10.48210000       0.26522096       0.15203424       0.51917984      -2.48199507 
Hf      10.87490000       3.37815004       5.22091000      -0.06547934      -2.02142887       0.85406933 
Hf      10.99169999       3.20063999      10.17910003       0.31956352       0.43425173       1.11661431 
Hf       1.79147999       5.10150004       7.63290004       0.15820407       0.09261388       0.59906793 
Hf       9.27395003       8.87801005       8.24155000      -2.92735112       1.72659688      -0.72616014 
Hf       2.22471995       1.60057005       7.77882999      -0.51913068       3.80594163      -2.22726226 
Hf       7.36750003       6.72922004      10.20659996       1.30806917       1.98614208       4.08198237 
Hf       8.92952003       8.79795000       2.63912995      -0.56006285       2.56983542      -0.81104893 
Hf       1.79513996       5.42488003       2.67886996      -1.99894484      -2.86883153       1.35174298 
O       5.57717000       6.78804995       6.22825997      -0.01629446       2.17806546       0.75087542 
O       9.08504999       7.33706004       3.91460996      -2.11841154      -1.47985208       2.16918348 
O       7.18725999       1.56295997       0.49801397      -1.05453066      -1.28004455       1.49374564 
O       5.96731004       7.26612004       8.99335996      -2.63525340      -2.54791392      -1.16276231 
O       9.39907995       7.30363001       6.62972004      -0.26952116       0.88600635       1.30343631 
O       5.42490000      10.86490002       3.57400002      -0.15912541       2.37498084       4.19624786 
O       9.03815003       3.11110005       1.45496001      -0.93972558       2.45213382      -1.23625832 
O       6.78950002       2.03275995       6.12056999       0.19590230      -2.42938058       1.15356810 
O       7.32077999       9.18782000       4.73174000      -1.27382255      -1.79728485      -0.26089714 
O       3.24168995       9.59264996       3.34953996      -3.75242010       1.66070782       2.49694356 
O       8.90211004      10.65750004       3.97198000       1.40227605       1.74693417      -1.23676932 
O       5.26227998      11.06849997       6.72863000       2.40673678      -2.24901253      -0.11510956 
O       7.39303998       1.98135996       3.33539003       0.06193938      -2.72359723      -0.01861753 
O       1.57825998      10.18859996      10.03770001       0.72607787       0.53032044      -2.31199685 
O       7.51926003       8.92370001       9.51136001       1.25429001       2.18018297       0.52566063 
O       9.72266005      10.90770005       8.92643001       0.47496788      -1.51526896       3.18292014 
O       9.27681998      10.83640001       1.38505002      -0.61948413      -0.62433183       0.28819354 
O       5.38539001      10.35799995       9.66052003      -1.20428302      -0.25786199      -3.14294009 
O       0.58005497       3.61635006       2.22349002       2.82567776       1.29187063      -1.70286730 
O       9.06982000       3.60465995       4.05470000       3.92760961       1.21145903      -1.11721062 
O       9.33677998       3.49629998       6.76751000      -0.53574006      -5.34494705       0.93045104 
O       1.28269999       7.02759005       7.08352996       0.52182636       0.74143343      -3.65959875 
O       7.25783995       5.00332995       0.69863897       0.91241314       0.64745167       1.53023665 
O      10.18889996       5.20068001       0.02459214       0.62424822       0.21718109       4.18509359 
O       9.19579998       3.27681999       9.58474999       2.62496569      -1.81523992      -1.59235660 
O       7.98034995       5.22929002       6.16206997      -2.23525745       2.51942525       0.34748207 
O       7.50436002       1.82747996       8.82949999      -1.43152455      -2.52079325      -1.06926496 
O       5.24479004       7.80637001       3.90352999      -0.84014475      -1.63304703      -1.89175164 
O       5.58540003       6.88263000       1.04578000      -1.37418796       0.99233387      -0.53451759 
O       3.90641999       1.46800000       9.03333998       1.05968825      -1.96515285       2.25931441 
O      10.98689995       5.96026003       3.10236002       0.70004130      -0.13565899       0.78712116 
O       0.41202902       9.49049005       6.30165996       0.34632930      -0.32473837       2.33406521 
O      11.09699478       4.82833002       8.69438998       2.38291888       0.52516306       0.65406062 
O       5.66556997       4.22646000       5.72118000      -0.45431355       0.34874611       2.65494981 
O       4.67014999      11.02719197       1.32964001       0.16099897       2.39342709      -2.77389708 
O       7.94717997       5.24583001       9.16142004      -4.76495114      -3.16895774      -0.79977583 
O       3.71669996       4.98707998       6.37109995      -3.80146410       2.13700989       0.93789207 
O      10.72424711       5.03563000       6.38148003       4.66084004       3.59890391      -4.63989090 
O       3.82616005       5.51583995       8.72976997       0.98976074       1.10591183       1.46500261 
O       1.55662994       2.80547005       6.22077002      -0.08592667       1.38306988       2.23807494 
O      10.48830005       1.18525000       5.92521003       0.81577072       1.21727233       1.94651286 
O       8.65912995      11.06284110       6.74758002      -2.99876297      -1.47813951      -1.10117953 
O       1.37795995      10.63010003       1.52467005      -0.46109014       1.56928907       3.04486816 
O       0.45546202       2.13459999       8.54485998      -2.04066700      -1.30329395       1.20842161 
O      10.96479998       1.52067004       0.68220899       0.35080110      -0.65951279      -0.48755785 
O       8.61689996       7.29969002       1.17688005      -1.05236508      -1.67670042       0.74821980 
O       3.15810999       1.93469996       2.99729001       7.81995660       0.77347515       5.07859388 
O      10.88970001       1.64618997       3.72320000       1.93737133      -0.78137111      -1.88947947 
O       2.70062998       3.38792004       8.70212004      -1.07361904       1.57337676       1.03920188 
O       3.66699000       9.04681004       5.93198997      -0.50604927      -2.07693071       0.55325749 
O       9.25100001       6.90543996       9.33378997       1.85682513       4.08457821      -1.58668177 
O       2.66918998       2.16539004       0.64060198       0.84468060       0.90492059      -1.98761091 
O       3.81986998       5.25699004       3.76408999       0.69125815       2.46414713      -1.93979718 
O       3.83035997       1.73780995       6.22229999       1.20083831       1.27700439       0.73289166 
O       1.89684004       6.77625995       9.11439004      -2.02833372       0.23356862       3.78064458 
O       3.51169001       8.82787001       8.74675997       2.71245801      -1.23098372       1.91532670 
O       6.92864004       9.60645995       1.64958002      -0.02005030       0.21856843      -0.89240776 
O       5.38388001       3.31377002       1.27186005      -1.61641668       0.00499822      -1.70982028 
O       7.03314004       5.60224002       3.91562998       0.45852283      -0.09142325      -1.78470578 
O       3.16321004       5.16069000       0.68926899      -0.27643386       0.36593375       0.97070354 
O      10.74109998       8.49129002       1.14651001       0.84989995       1.64958650       0.08225111 
O       5.63316004       3.54411004       8.91675004      -0.14234617       0.54874078       0.97763797 
O       2.64791000      10.81590005       7.67137001      -0.51433533      -0.34793601      -0.87873411 
O       1.80468998       4.02835998       4.39196003      -0.94434054       2.46150545      -2.19654510 
O       3.38182998       9.09907996       0.80770903       0.30393440      -3.63225181       0.61560983 
O       5.35475002       2.97934000       3.93662003      -1.08594623       0.88120331       1.00930403 
O       2.07414998       0.73957397       5.00359004      -1.59377072      -3.70368814      -1.16263480 
O      10.92453316       8.85316001       9.19584000       2.42650800      -2.10562834       0.51014692 
O       2.11260003       7.52565997       3.88741001       0.73479738      -2.73234970      -0.51541934 
O       1.66460999       7.06652001       0.92990104       0.16103224       0.30396224       1.42218057 
O      11.03720004       8.69776002       3.96815997       0.84796634       2.54381696      -1.96219010 
O       7.41245003       8.87076005       7.05776996      -0.61305643      -1.75349514       0.36386858 
108
Lattice="11.09797665 0.0 0.0 0.0 11.09797665 0.0 0.0 0.0 10.76673912" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.002274301043152508 -0.00813909412402281 0.01713455501322467 -0.00813909412402281 0.00036957671352384275 0.008599736527874319 0.01713455501322467 0.008599736527874319 0.03454057642681588" pbc="T T T" energy=-1044.54909915 free_energy=-1044.54909915 config_type=crystal 
Hf       2.10552999       1.84957003       1.92020001       0.04663665       1.94300382       4.16933255 
Hf      10.85859995       7.02538001       0.15076697      -4.25212639       1.34582157      -3.41691153 
Hf       1.91227005       8.68099004       7.59164003       0.52508155      -0.23369795      -0.60936568 
Hf       7.30706997       3.58500004       9.86121997      -2.81457445      -1.07551703       1.63665964 
Hf       9.15699003       4.92531999       2.37634002      -0.96278758       2.37424208      -1.37175922 
Hf       3.93860999       7.70989001       4.76647998      -2.64707315      -5.71931511       2.63634436 
Hf       3.79805999      10.58290002      10.42680000      -2.00899078       3.75057076       4.39509624 
Hf       7.07716994       0.04477301       5.42635996       1.28006752       0.94472308       2.34549202 
Hf       5.91697004       1.81247005       2.11945004      -0.51728875       0.12170769      -0.44208229 
Hf       5.22320001       1.39460005       7.80887998      -0.04112644      -0.66302601       1.55032897 
Hf       1.79949996       9.49946005       2.56830000       2.55438620      -1.61178941       1.82830223 
Hf       3.51575999       0.13001801       4.99511998       0.01013462      -0.25021806      -0.42403206 
Hf       3.60390000       3.40280001      10.55309999       0.39225286       1.56774569      -0.81076693 
Hf       7.53621000      10.55269999      10.72770000      -4.55074626       0.28268182       0.23407315 
Hf       9.66970002       1.39095003       2.45600000       0.26099485       4.48970397       1.73615776 
Hf       4.91858996       5.16622999       7.49226001       3.24655808       0.31090862      -0.96002686 
Hf       3.37579996       3.53341997       4.91114996       0.75331404       2.14099254      -3.01892466 
Hf      10.58829996      10.91931865       5.10681004       2.40395194      -0.68671879       2.23467712 
Hf       9.36329997       1.41651000       7.72916003      -3.25393861       2.55532484       0.13347938 
Hf       5.75777001       8.85039000       2.20707999      -3.08854915      -1.15917047       0.48483287 
Hf       3.34054002       7.17681002      10.28890004       0.48112355      -1.10390246       0.14169316 
Hf       5.11112998       5.15354999       2.50429001      -4.72969747      -0.66489748      -0.41570979 
Hf       9.09839005       5.47989998       7.65883998       0.56314526      -0.47724885       2.49478499 
Hf      10.96690000       7.15741997       5.21731005       0.51300540      -1.10383921      -0.72144300 
Hf       5.69882999       8.95017002       8.03822003       0.51027996      -2.37547073      -2.10902783 
Hf       7.02446998       3.59947003       4.83300002       1.54122270      -0.48729744      -0.29791742 
Hf       7.32794005       6.94156998       4.98594995      -1.52979729       0.90493932       0.43482948 
Hf      10.83340000      10.58039998       0.04834061       0.63059059      -2.06778287      -4.02088255 
Hf      10.86800005       3.62728999       5.41678995      -1.53312381      -0.77360310      -1.20448559 
Hf      10.92129997       3.77940996      10.40530001       0.75555385      -2.42182021       1.13000521 
Hf       1.68389000       5.01733998       7.71482003       0.40043759       0.19070278      -0.51667342 
Hf       9.51565999       8.80996995       7.82820004      -1.77402394       0.97744928       4.56269647 
Hf       1.43367003       0.89076700       8.11793998       1.48454469       2.20581707       2.61304244 
Hf       6.81257997       6.69199003      10.42529998      -0.36579991       1.83715576      -2.04321048 
Hf       8.88852998       9.02501001       2.69544000       3.25283274      -2.03618021      -0.07277430 
Hf       1.90831995       5.87462005       2.46995003      -0.01415956      -5.51129785      -1.08088945 
O       5.71019998       6.73442003       6.42166995       0.74313192       2.16527862      -2.43360944 
O       9.05268004       6.24511002       4.19251998       0.02943918       1.79329838      -1.81298891 
O       6.78903995       1.38363003      10.62309995       1.09549223       0.51317586       0.43581101 
O       4.97713001       6.89689996       8.71096002       0.47818740       0.78144613       2.68298153 
O       9.29575003       7.19804000       6.70139005       1.09699823       2.15331185      -1.56300596 
O       5.77776002       0.84591597       3.86042002       1.38196825      -1.12333432       2.41272987 
O       9.57410005       3.47069998       1.12216995      -0.01409981      -3.07108171      -0.19799494 
O       7.93116002       2.20580998       6.29479997      -1.17842734       1.63985747      -4.86095553 
O       7.62418000       8.88379003       7.32060998      -3.27608864       0.09241634      -0.28634183 
O       4.09648004       9.37153001       3.98538999       1.70353951       2.71153047      -1.49986617 
O       8.90078003       0.37346201       4.21652001       0.33820992      -0.58531034      -2.34227038 
O       5.46239004      10.42249997       6.29309000      -1.02981773       0.64384781      -0.40226511 
O       7.87521002       2.41477001       2.65346996      -2.09052572      -1.56764174       0.06479933 
O       1.83091001      11.03390004      10.27860004      -0.52041504      -0.48632778      -0.77206417 
O       7.59395999       8.44754999       1.36182002      -2.43302838       0.51101485       0.07407678 
O       8.94508005      10.21979997       9.63204002       2.71384538       0.22249625      -2.03728618 
O       9.14385003      10.62870004       1.38392004      -1.18531909       1.76435333       1.48057485 
O       5.21203999      10.42119995       9.19901997       2.53822831       5.13987117      -1.79393524 
O       1.67330997       3.31420996       0.59469405       0.31767989      -1.90219150      -1.45868048 
O       9.72357004       3.61939001       3.72770004      -0.08947741      -0.07708994       1.86847346 
O       9.72923999       3.66386004       7.13732003       0.99644967      -1.19000334      -1.53474605 
O       1.63456005       7.56165001       6.02776999      -1.08895996      -0.61688384       0.25416050 
O       6.89695001       4.85893001       2.90315000       6.15887797      -1.48430061       2.64275022 
O       0.06951073       5.24189000       1.05756995       0.43736190      -0.43838852       1.00103617 
O       9.06583003       2.93386999       9.37155998       1.10206981      -1.25901970      -0.27853399 
O       7.16189001       5.13750998       8.65554997       0.86875420       2.50571289      -0.21600820 
O       7.09180995       0.70174005       7.66174000      -0.44684134      -0.68757878       0.66683541 
O       5.61573999       6.82602995       3.59494001       1.34654222       4.23763707       1.97903427 
O       5.29159994       6.63775000       1.19878004       1.32223837       4.21269358      -4.05177498 
O       3.43420994       1.37285001       9.08661004       0.71924417       0.14360139      -0.32344627 
O       0.62820996       5.82615996       3.97901996      -3.76710725      -1.75769807       1.12115666 
O       0.09721417       9.44216996       6.98316003       0.76476816       0.61596276      -0.87489039 
O      10.54270004       5.23383997       9.28326001       0.37410727       2.44543437      -0.31436480 
O       5.34176002       4.32280995       5.30745996       1.21697507      -0.12186169       2.42766206 
O       5.91304003      10.76840004       1.49021995      -0.03463845      -1.64139929       0.65002592 
O       7.65395998       5.23651003       0.40753895       2.59056399      -1.68491987       1.17442807 
O       3.25710000       5.25199004       6.41516996       0.67164649       0.25093228       1.97041382 
O       0.00024471       5.71746005       6.77923002       0.05731754      -1.17430349      -0.78224340 
O       3.78376003       4.63042999       8.96500005      -2.86333323       0.66920249       0.86993179 
O       1.58089002       4.04337000       5.61648001      -0.50750262      -1.84107416       1.94990264 
O       0.02825845       1.46940995       6.62530000       0.37231587      -0.30432183      -1.15783469 
O       9.07282997      10.78129999       6.66573998       1.36325016      -0.10345464      -1.63588251 
O       3.03883998      11.03864232       2.23439004      -2.98970481       0.71935599      -0.35974202 
O      10.69670001       0.75611902       9.07403998       1.65949624      -0.01064831      -0.01230499 
O       0.22425304       1.07327001       1.16313998      -0.46835330       0.71469272       1.56320393 
O       9.47934996       6.89395001       1.51188995      -0.49523422       1.37577699       2.48563428 
O       3.14760004       1.82211996       3.93345996      -1.85418918      -4.16875447       1.10460918 
O       0.26742339       1.70151004       3.81719996      -2.08434009      -2.34947663      -0.31627742 
O       1.33554005       3.30712002       8.76451002      -0.26848361      -0.71012900      -1.10229443 
O       3.57902001       8.62235000       6.53585004       2.81089862      -0.10716262       1.12221427 
O       9.16049000       7.53289004       9.54935997      -0.58555578      -1.28219098      -1.28312716 
O       4.12787000       1.93854995       1.07508000      -1.40211811      -0.91155006      -0.28882413 
O       3.50609997       5.65880003       3.81157003       1.34992820      -0.54534299      -0.11438988 
O       4.23551005       1.98730003       6.20660003      -0.84619534      -1.01675532      -0.47051032 
O       1.99125002       6.83931999       8.76340998       0.52995776       0.10051251      -0.13168301 
O       3.64194997       9.00466997       9.42351003      -3.42388616      -4.55742939      -0.87578160 
O       7.41255002       8.95121002       4.09916998      -1.01372160       0.98675072      -0.77637573 
O       5.57054004       3.97710998       0.16662896      -0.20302602      -1.08158714       0.98860231 
O       7.98113000       5.48362002       6.03874000      -2.42165613      -5.21687113      -0.37310936 
O       3.44353002       4.97338999       1.10317000      -0.45326384       1.59559605      -0.45519697 
O       0.02592332       9.10675005       1.50357996       0.96273227       0.50759352       1.81706771 
O       5.73958997       3.23929995       8.20513001       0.39899992      -0.82322481       0.20003141 
O       2.45458000      10.79269995       6.90836005      -0.36746482       1.27404137       1.08263007 
O       2.10122997       3.76249997       3.02685003      -0.30202012      -0.88309353      -0.08793300 
O       3.65122000       8.94865005       1.53070999       1.15143908      -1.82454066      -2.54436100 
O       4.73829001       3.27309995       3.30774995       3.64795139      -0.62454402      -2.45220476 
O       1.61639000      10.19699996       4.64684999      -0.63896999       0.90080375      -2.65013199 
O       0.19063905       8.91751001       9.72200000       0.65001474      -0.14138187      -1.14159326 
O       2.05398000       7.38170996       3.61051001       1.50143597       7.89213755      -0.81195407 
O       1.60523998       7.05469998       0.61466398       4.50077904       0.88369193       1.09808761 
O      10.13549996       8.95704001       4.35366996       0.77830811       0.66561359      -0.16661990 
O       6.63124004       8.77800001       9.89239000       0.08030959      -0.97747143       0.63159451 
108
Lattice="11.0968757 0.0 0.0 0.0 11.0968757 0.0 0.0 0.0 10.76567103" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.018938870512820807 -0.010251786080737197 0.013079955466792442 -0.010251786080737197 -0.0030359158327820735 0.0010442697379796893 0.013079955466792442 0.0010442697379796893 0.03175592395337492" pbc="T T T" energy=-1047.82239367 free_energy=-1047.82239367 config_type=crystal 
Hf       1.85111999       1.60626998       2.39027998      -4.30422576       0.98140931       1.10995250 
Hf      11.07642039       7.24723003       9.97316003       4.03210535      -2.67424176       1.19563394 
Hf       1.75797004       9.31334001       7.43547003      -0.07113573      -4.19869068       0.30020636 
Hf       7.51693005       3.08473004      10.51180004       0.27161474       4.64510506       2.31128093 
Hf       8.80916999       4.97806998       2.77428005      -0.06269296       1.10282016      -2.63639163 
Hf       2.92149999       7.48022003       4.66116005      -0.80099194      -0.98245991       0.03177535 
Hf       3.81936995      10.90349999      10.69612975      -3.39316550      -4.46513836       2.41717284 
Hf       6.91485996      10.60450000       4.78491004       2.83302211      -1.38657533       0.87458460 
Hf       4.93605998       1.16036001       2.84664000       3.72040464       1.91941510      -0.91274678 
Hf       5.55708997       1.50666998       7.31707004       1.79824606       1.95927868       3.30925787 
Hf       1.44204998       9.15662005       2.22898999       3.07494554     -10.59569772       2.56184761 
Hf       3.39676996      10.90800000       5.45633996      -1.22677216      -0.36205208      -1.99399713 
Hf       4.14354997       3.41219995       9.94895999       0.21308641       6.51188977       3.06090754 
Hf       7.52933003      10.74850005      10.68926125      -1.56462002       0.04166140       0.83444900 
Hf       8.92124001       1.45813002       2.73903001       1.07657742      -0.70199280      -2.26793085 
Hf       5.77963005       5.46387000       7.76803000      -0.86483748       0.17506388       1.20128311 
Hf       3.49117996       3.31156005       5.22869005       1.81142730       2.13437601      -1.74238042 
Hf      10.88210000      10.82259999       4.86757995       3.36132736      -0.31656726       4.32849412 
Hf       9.27650004       1.45750005       7.91982995       0.33008598       0.24644241      -2.12710695 
Hf       5.34589002       8.68001002       2.63054004       1.25857057       0.11456404      -1.62519690 
Hf       3.67379004       7.25659002      10.35610001      -0.49858820      -0.19795529       1.60903163 
Hf       5.21607000       4.97452997       2.35736997       2.16323565      -0.00929757      -1.92905635 
Hf       9.11101001       5.50300003       7.92105002       3.10459241      -2.39077278      -0.83604925 
Hf      10.65470005       6.76938003       4.91220000       0.75910664      -0.45625764      -2.22073318 
Hf       5.39484999       9.28863004       8.16083005       0.30406402      -3.00791657       0.35787145 
Hf       7.48905004       3.20507998       5.38626998       2.48686527       1.98679331      -1.47449141 
Hf       7.34287001       7.36352995       5.45194003      -0.74630492       0.74590167      -3.28940280 
Hf      10.93760002       0.03833405      10.64340003       0.54726898       1.51109277       1.42037133 
Hf      10.91030004       3.36052002       5.22852997       0.60154054      -0.01480872      -0.88981038 
Hf      10.93440002       3.77698000      10.73308894      -2.47151945      -7.35134671      -1.59949486 
Hf       2.19723998       5.22678004       7.71626005      -2.29727763       1.00463078       1.38619407 
Hf       9.10892002       9.17484001       7.72445003       0.53286595      -1.22727409      -0.98667984 
Hf       1.77314003       1.76271995       8.17714004       0.27461246       2.33698527       0.97391850 
Hf       7.61569003       7.06764996      10.44090002      -1.45144398      -2.54211561       3.01271407 
Hf       9.45822004       8.69520996       1.98857005      -4.04734265      -3.18018973      -0.73573371 
Hf       1.82062001       5.49583000       2.11141002       0.39807097      -1.35162631      -2.15893604 
O       6.23569000       7.57156996       7.26845001      -0.91386557      -0.81109679      -0.68538252 
O       8.70436999       6.91041000       3.63754002       1.95213685       0.96385548       1.03712014 
O       7.67938998       1.75923997       9.12285999      -2.13153884      -0.72652975      -0.90470741 
O       5.79621000       7.70536000       9.67430005      -1.07354282       0.73610152      -0.28126769 
O       9.73716997       7.54050004       6.48685002      -2.54685986      -0.43793281       0.49176601 
O       4.94045002      10.73079998       4.16289002       2.46787005      -0.05974736       0.11789190 
O       9.09115004       3.35852003       1.28188998       0.56273268      -0.62912596       1.08515288 
O       6.90878997       1.33646998       3.95008995       1.26473042       1.17236413      -1.33795263 
O       7.68474000       9.25341999       6.04373005       0.91285710      -0.54531909       1.94729271 
O       3.38851999       9.16561995       3.62891005      -1.54002233      -3.44805877      -0.43099842 
O       9.20258997      10.62929996       4.22825002      -5.89472160       2.02703711      -2.86043768 
O       5.38329004      10.80750003       6.70586005       0.35162716      -0.90865354      -0.54094448 
O       7.01582999       1.66890996       1.05033999       2.26055928      -1.57779499       0.05732050 
O       1.89587003       0.16012903      10.01419995       0.60274010       0.24041391      -2.09844800 
O       7.76815999       8.82182998       0.50173001       0.24050325       1.64447596       0.54721642 
O       9.08815999       0.03272435       9.49688998       4.48733051      -1.10021270       0.31240512 
O       9.25797004      10.55219998       1.27687996      -0.57540288       3.48169138       0.31245481 
O       5.24751000       0.05382429       9.55199998       3.36618504      -0.98497871      -2.20318890 
O       1.94034997       3.38750995       1.59372001      -0.47896515      -0.19692706       1.21257219 
O       9.03893003       3.01616999       3.81375996       0.49727480      -0.23482126       2.56523316 
O       9.01088001       3.37830998       7.22881005      -0.85474989       0.73257108      -1.93019406 
O       1.20547003       7.03321003       3.19349001       1.64931851       1.19063703       2.29169578 
O       7.18386998       4.72177998       3.75602000      -2.31875078      -1.01541506       2.02508948 
O       0.69496703       5.25795005       0.35339198       1.83919149       5.35185008       2.92613271 
O       9.30078001       3.81386002       9.66124000      -0.06272690       0.03279724      -0.82121590 
O       7.71932996       5.45833999       9.20705001      -3.20758558       0.45022179      -1.39485838 
O       7.59562998       1.04151003       6.42879000      -0.40857698       1.71818374       0.35519343 
O       5.58916005       7.69404995       4.41385999      -2.03455155      -1.44219379       1.13229709 
O       5.65505996       7.11575003       1.38362999      -0.20646740       0.19504617       2.18674037 
O       4.01726997       2.08066996       8.68633001      -0.78978939      -4.34609382      -2.22020333 
O      10.79210001       4.95431002       3.45873999       2.30254891      -0.12189311      -0.54938301 
O       0.97666999       8.84173000       5.46963998       0.74598422      -0.66108196       2.31060019 
O       0.05442429       5.48299003       8.78879002      -2.18145182      -0.76145325      -2.40745022 
O       5.89570004       3.79232997       8.85892998       0.23604800      -1.42710462       0.58918478 
O       5.91121003      10.70320005       1.68039001      -0.99417897      -1.09472895      -0.03131483 
O       7.30038995       5.02327000       1.22404000      -1.78624045       0.49715957      -0.67927495 
O       3.85991006       4.84744999       6.65485004       0.94742310       0.42767547      -0.28597438 
O       9.45860000       5.14483005       5.34220996       2.25773605      -0.91943908       2.77852139 
O       4.22591997       5.62981002       9.20325005       0.67560978      -1.91383021      -1.03824795 
O       1.44567001       3.45607999       6.74544004       0.20148485      -0.04947569       2.80701772 
O      10.66830005       1.64072001       6.23603002       0.46363224       0.98417660      -0.68119381 
O       9.87251002      10.70780004       6.81438996       0.39018121      -1.01263833       1.65918649 
O       1.33917995      10.68330003       1.51475995      -1.11276753       9.60374023      -3.02166429 
O       0.13519102       1.85950002       9.27083995      -1.47708450      -1.31341805      -2.10544719 
O      10.79730566       1.75777996       0.93013202       1.02283004      -2.07499835       0.57833161 
O       9.33084000       6.53132997       1.02160997       0.51235789       2.44721969      -0.45783943 
O       3.19145002       1.23945998       3.79411002       2.24425534       2.53623810       0.61651316 
O      11.08533506       1.25638006       3.65571000      -1.11547344       2.33660949      -2.33200194 
O       2.16295996       3.39692998       9.59503995      -0.84209549       0.54780345      -1.56182904 
O       3.71099997       9.11778998       6.58175006      -1.71712230      -1.03343357      -1.46878058 
O       9.25489998       7.37631999       9.12486004      -2.40395520       0.71584456      -0.47890125 
O       3.50007000       1.04292999       1.42156003       1.16453557       0.65718479      -1.59399830 
O       3.47775996       5.61751002       3.67385005      -0.23746586       1.09906492       0.54119644 
O       3.76920996       1.71011000       6.32100001      -0.54175783      -1.50271546      -0.24612974 
O       1.39577002       6.41054003       5.96358996       1.36261521      -1.18798107       0.64348555 
O       3.40334997       8.86705995       8.99106998       0.85212510       1.78868627       0.36427639 
O       7.38003001       8.92792998       3.58664004      -1.26890063       2.27768243      -1.48941056 
O       5.05653000       3.31832005       3.68601999      -2.24480505      -1.09872089      -0.04748772 
O       7.24667996       5.46333003       6.34735997       0.03221473      -0.62312321       0.94507331 
O       3.61885995       5.54842997       1.07532001      -1.01914306       0.66679371       0.19996847 
O      10.94223275       8.88999997       0.50304805      -1.92430583       1.99705551       0.48586329 
O       5.12852997       3.50381997       0.90930604       0.19843151      -0.94402114      -0.12717909 
O       1.80718003       0.05839376       6.99339002       0.30316135       1.33994927       0.75225954 
O       1.75264998       3.18251005       4.52110997      -1.72122486       0.20252920      -2.50715727 
O       3.82358998       9.01633002       1.09463997      -0.63721389       1.48189503      -1.44720842 
O       5.81521995       3.14209001       6.22855003      -1.27682507       0.16724228       0.52290627 
O       1.75145995      10.82110003       4.39901004      -0.28613138      -0.71555865      -0.63881564 
O       0.17609799       8.47807995       8.34939002       0.34221511       2.19493286       0.42929663 
O       1.61373996       7.51576000       0.49520795       2.71884211       0.61727882       2.55851128 
O       2.15460001       6.61913000       9.11922001      -1.11181027       0.99799594      -1.20866647 
O      10.82620004       8.96602000       3.27654005       0.74561477       1.02284858       0.92987307 
O       7.45669998       9.65087001       8.67692996      -2.38955139       0.37121095       0.92870683 
108
Lattice="11.09565349 0.0 0.0 0.0 11.09565349 0.0 0.0 0.0 10.7644853" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005228169242550465 -0.0005008992888682152 0.0017576376870322137 -0.0005008992888682152 0.020598432408482692 -0.002511065857390397 0.0017576376870322137 -0.002511065857390397 0.01271861808208455" pbc="T T T" energy=-1050.02061569 free_energy=-1050.02061569 config_type=crystal 
Hf       1.84107005       1.53564000       2.50586001      -3.38279700       0.46310518      -0.49064092 
Hf      11.03842189       7.18587996      10.55739996      -1.96525422      -1.80249487      -0.30823966 
Hf       1.87102998       9.09324998       7.65208002      -0.57831264       1.31017465       5.12074760 
Hf       7.45468004       3.28684002      10.38930004      -2.60288707       1.02413874      -3.16745765 
Hf       9.22737002       5.29674997       1.74228997      -4.30594169      -0.12843676       2.16521586 
Hf       3.50259001       7.25590995       4.87385000       0.98708005      -1.76581601       2.73108153 
Hf       3.46098997      10.80870003      10.47150001       1.95424360       3.17784364      -0.84425425 
Hf       7.06329995      10.67210000       4.83238004       2.98783363       3.06169709       4.58614250 
Hf       5.45425998       1.31912996       2.69948996      -2.47104991       0.69217596      -3.09848239 
Hf       5.50675996       1.73523005       7.51652996       5.20842864      -1.90411987       1.03549347 
Hf       1.79718996       8.89521997       2.59543000      -1.98053941       1.64814407      -1.18484936 
Hf       3.70561995      10.56720002       5.10371999      -3.53088680       6.29708576       2.51034494 
Hf       3.71324000       3.67854999      10.73889995      -1.79094777      -4.10501704      -1.30881392 
Hf       7.60806003      10.93250001      10.69952475      -4.14473018       0.41347097      -2.77250091 
Hf       8.87286999       1.56881999       2.49007002       1.15303429       2.09114896       2.43051991 
Hf       5.28954001       5.44332999       7.65942000       3.72033264      -0.33151000       3.09165782 
Hf       3.73230000       3.36784995       5.12258001      -0.23599150      -1.90299257       0.19454690 
Hf      10.91500005      10.58760005       5.09988999      -0.93296368       0.67014909       0.61486490 
Hf       9.64624004       1.51518006       7.86525999      -2.67388868       0.10552317       0.64489559 
Hf       5.44267002       8.71391000       2.05925002      -0.99023904      -0.48403069       2.09777879 
Hf       3.31341001       6.93059005      10.21479998      -0.61651844       3.73957001      -0.74199028 
Hf       5.46067005       5.01883004       2.35273004       2.43512939       0.25040854      -0.62160597 
Hf       9.05542001       5.43550001       7.79286000      -1.35223489      -1.99871826       0.65225179 
Hf      11.09181894       6.97105002       5.46425995      -0.73135335      -0.49108797      -1.02439353 
Hf       5.27977995       9.15329998       7.46198997       1.56858618       1.04371480       6.55054713 
Hf       7.66786005       3.50166996       5.01663003      -2.15389375      -4.60709845       1.24495569 
Hf       7.19695996       6.81907995       5.16644002      -0.90077922       0.76158046      -2.22697937 
Hf      11.01811329      10.54959999      10.64539995      -0.41508558       1.34006324      -1.12425705 
Hf      11.02190002       3.55584005       4.92286996       1.52239579      -3.93305717       0.55712057 
Hf       0.14099902       3.87794998      10.15520004      -1.77977129      -3.63232500       3.64892520 
Hf       1.83378997       5.16807002       7.88045998      -0.80302664      -1.02464204      -0.35115105 
Hf       8.70335004       9.09384004       7.83489004      -0.91109364      -0.76513943      -0.84480737 
Hf       1.96471003       1.60818005       7.76585998       1.44095503       1.19057718       0.24339715 
Hf       6.82529996       7.03455000      10.19969999       3.50419702       2.20306686      -0.55813648 
Hf       9.00060005       8.90405998       2.49968001      -2.28049506       0.04784656       1.39544284 
Hf       2.00885996       5.22432997       2.86699999      -2.08858111      -3.33292795      -1.12525625 
O       5.47209003       7.33211002       6.34031995      -0.05361172      -3.05903349      -2.84168008 
O       8.58009997       7.10596995       2.86454999       0.39455933      -2.79487836       1.51683646 
O       7.09843999       1.51305002       9.58475003       1.68985411      -1.97637934       1.19463951 
O       5.03434997       7.35765998       8.78376995      -0.29229119      -1.67747072      -0.27669474 
O       8.84263999       6.89042001       6.16842996       3.31192001       1.20387785      -2.53934896 
O       3.35254005       0.85321603       3.74994000       1.71737800       1.29287211       2.11653839 
O       9.03611002       3.27706997       0.61424101       3.30718153       1.19686725       1.56114192 
O       9.17013997       3.45857001       3.19689002      -0.90897308       1.20633745       1.02840543 
O       7.07468997       9.15696998       6.72204001       1.50607921      -0.14962970      -1.91158258 
O       3.69960998       9.30499000       1.57547995      -2.27874115       0.18498572      -0.28951148 
O       7.41246995       1.48693995       4.11621000      -1.72989442       1.67130017      -3.40326112 
O       7.19669001       1.38422005       6.34925996       0.49510731      -0.90290680       3.00025249 
O       7.07707997       1.86583000       1.61118004       0.34438664      -0.46120864      -0.80248080 
O       1.62760998      10.98080005       0.99513598      -1.97060566      -1.83809011      -1.07798420 
O       7.08396005       9.35907997       1.41612003       3.73509642       0.73250914      -1.14948494 
O       8.92783997      10.29899999       9.26904005       2.21695111       3.17972655       2.77540576 
O       9.33500995       0.23040202       0.94108502       0.06934751      -1.18955928       0.75860361 
O       5.01732003      11.08730002       8.70400996      -0.56770309      -0.67445006      -1.48158477 
O       1.72280004       5.05485995      10.30889999       1.50205604       0.52343745      -1.45506274 
O       2.10683004       3.40727003       3.52284004       0.25065103      -0.34934444       0.90843754 
O       9.39255001       3.08895004       5.97482003       0.72520249       0.15869481       0.55495416 
O       3.45249003       9.10007003       4.10630000      -1.44939788      -6.73626420      -4.64154763 
O       6.88039997       4.78522004       3.81632996       0.19651342       2.98664347      -0.49377815 
O      10.95370003       5.45415003       1.03761996       1.91758905       0.30307674       0.91938889 
O       8.96493995       3.37903004       8.62284003      -0.16244619       0.64855071      -0.04025336 
O       6.97251997       5.51392997       9.12919001      -0.11113429      -1.82583304      -1.14496246 
O       5.63640002      10.52799997       3.46243997      -0.79374501      -0.12491001      -0.89210416 
O       5.60216005       7.02050002       3.41081996      -1.70617376       1.12291915       0.02582684 
O       5.18626001       7.25815005       0.60176099      -0.87553155      -0.47311585       1.11695945 
O       3.03963996       1.84029003       9.75662000       0.86726376       2.01994754      -0.73071172 
O      11.07839997       5.19748004       3.96643005       0.03264426       2.72599257      -0.47418813 
O       0.20478005       9.09636996       6.46473996      -1.49714855      -3.43381943       0.31880273 
O      10.36240000       5.52548997       9.33740002       0.76073970       0.76034795       0.45017562 
O       5.64297996       4.00777001       0.38017600      -3.57813634      -1.76167013       0.93703714 
O       5.31627000       0.22656503       0.62812903       1.02682952      -1.21101968       0.95805464 
O       7.28878005       5.23433004       1.05534002       0.52959862       1.46172485       1.03291083 
O       3.84275002       4.54899003       6.76605997      -1.23055234       1.57610036       1.38382849 
O      10.78660004       5.30028005       6.82686004       0.57740489       0.34150223      -0.90821394 
O       3.89172002       5.23523001       9.46980997       1.24845176      -1.62449328      -3.17044007 
O       1.70295002       3.28912995       6.15508996      -0.31161188      -0.02736116      -1.40081939 
O       0.20630703       1.02937995       6.98503005       0.31698851       0.52275683      -1.13570537 
O       9.25386000      10.82659998       6.62848005       0.47216765      -0.96091908      -0.25372529 
O       1.20666996      10.56530000       3.61871995       0.88943577       0.46878762      -1.30207865 
O      10.54870002       1.55958996       9.80559001       0.62809132      -2.18650782      -1.89580784 
O       0.97834005       2.86119999       1.02073995       0.60740208       0.02934364       0.46253937 
O       8.93907998       7.13201000       0.36362905      -0.14752837      -0.43707767      -0.35833977 
O       3.57447997       5.29380996       4.33287003      -0.04633888       2.17282378      -1.39147462 
O      11.08370003       1.87981996       3.67746003      -0.20219405      -0.59889044       1.10339267 
O       1.05715004       3.40545999       8.46186997       0.48226224      -0.65543199      -0.15081281 
O       5.33254000      10.61560004       6.01585995       1.06958992       0.25439393       0.66601314 
O       8.65880000       7.18630004       8.44997004       0.02129794       2.07966215       1.24092876 
O       3.42079996       1.53529004       1.51737003       4.02452047       2.14946703      -1.58609511 
O       1.69180999       6.08103004       6.11536998       1.99006860       3.97248750      -1.87520188 
O       3.81246998       1.74188001       6.66684005      -4.36723684      -0.18365703      -1.25335046 
O       3.51732005       8.70821005       6.61075999      -0.40295629      -2.59268648      -1.73923362 
O       3.30334004       9.15839000       9.34449005       0.10241734      -2.76753041       0.66728588 
O       7.84998999       9.07170998       4.20618000      -0.47004459      -3.44994277       0.39383928 
O       5.70239996       2.90959002       5.55354996      -1.69835305       1.66773493      -0.05352647 
O       7.21591001       5.16559003       6.37416995      -0.89361890      -0.44908583       0.46641234 
O       3.37108999       4.95666997       1.45649999       1.27930805       1.84276618       1.03042345 
O      10.53300000       8.76598001       1.40832999       4.35720661       1.50472729      -2.41324553 
O       4.85780004       3.40858997       3.29866995       0.12786804      -2.00679935      -1.84085564 
O       2.06036998      11.01400002       8.76162999      -2.24841882      -1.95670718       0.78562357 
O       2.08936004      10.49449997       6.35030003       0.27791315       3.42677249      -2.82818338 
O       1.76077003       7.73726004       0.50103200       0.81230328      -0.10556877       3.20479928 
O       5.93268004       3.39445000       8.42535995      -1.47632122       1.94151778      -0.21267000 
O       0.05168411       8.54716995       3.97214997      -2.41279877       0.28471012       1.04476085 
O       0.06659034       8.78556995       9.50797998      -0.29551022       4.06398741      -1.11857644 
O       1.64002003       6.96746002       3.63444999       3.29044557       3.05900338       0.34057085 
O       1.64205996       7.07847004       8.73304005       1.56770216      -0.95140963      -1.20685314 
O       9.03548001      11.08610002       3.88565002       3.07020568      -1.66757829      -1.33630953 
O       6.94662005       9.07563995       9.18348995      -0.49393573      -0.79919655       1.39083786 
108
Lattice="11.09423321 0.0 0.0 0.0 11.09423321 0.0 0.0 0.0 10.76310742" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.01301179467316816 -1.712401719249953e-05 -0.003210112757376219 -1.712401719249953e-05 0.017843762827924048 -0.025308359967051143 -0.003210112757376219 -0.025308359967051143 0.0197309306100193" pbc="T T T" energy=-1044.40074951 free_energy=-1044.40074951 config_type=crystal 
Hf       1.89229998       1.90278004       2.05557001      -0.59377543      -0.88257212       4.09173961 
Hf       0.25338097       7.49126005      10.04639995      -2.80328561      -4.36493772       3.54017793 
Hf       1.62784996       9.10976001       7.79840001       2.26489487      -0.71052489       0.37174587 
Hf       7.32211005       2.94441005      10.47780004       4.01727250       2.32553582       1.90923970 
Hf       9.19846994       5.56847999       2.07430998      -0.54437624      -1.39935197       2.13594820 
Hf       3.43375005       7.24696004       5.25341999      -1.50828456      -1.18986912      -0.95997498 
Hf       3.64539995      10.70519994      10.16430000      -4.28678357      -1.95579161      -3.01140525 
Hf       7.13194002      10.78989998       4.73678998       0.54439686      -0.05312668       2.23767804 
Hf       5.46108005       1.62863000       2.19300003      -0.88936546       0.44972845       1.10915524 
Hf       5.65853998       1.80881000       7.68446003       0.12210105      -0.53729645       0.39265127 
Hf       1.98526000       9.25100003       2.04763996      -0.56368804       1.20672918       3.95806468 
Hf       3.84833999      10.77570002       5.03968997      -2.75119965      -0.07001722      -0.78608144 
Hf       3.64049996       3.23688000      10.49110002       0.79665293       5.34386991       1.46727170 
Hf       7.26273005      10.74970002      10.61189997       0.50443803      -1.75552086       0.02008300 
Hf       8.89788001       1.56462004       2.49116997       0.98753535       3.81090397       0.85619729 
Hf       5.74370997       5.50827004       8.01939997      -1.17570219      -1.84344471      -0.51850849 
Hf       3.60778995       3.10049005       5.02517000      -1.53636037       3.74832728       1.23873541 
Hf      10.74760000      10.93900004       5.16775997      -0.40377683       1.17158733       2.49381413 
Hf       9.47747005       0.82563195       8.26600999       2.21674460       2.01783803      -2.87333326 
Hf       5.32664002       8.95048998       2.31477997       1.09191243      -5.33347215      -1.18128907 
Hf       3.71601996       7.19161002      10.53949999      -0.00356648      -1.14031672       0.78497749 
Hf       5.14740004       5.06346994       2.47977001       3.42857299       2.03328024      -1.88932855 
Hf       9.13291001       5.04020001       7.76834005       0.22571253      -1.09062589      -0.90888440 
Hf      10.74949999       6.97668999       4.89669004      -0.28886690      -1.27764089      -1.99345435 
Hf       5.34819001       9.03300001       7.54863005      -1.56675471      -0.55264126       0.85609382 
Hf       7.11564004       3.34643999       5.25029998       5.45388069       0.37284021      -1.52700085 
Hf       6.77807004       6.81841999       4.98977003       4.14170482       0.37849770      -2.47353896 
Hf      11.08167776      11.05095483       0.24698899       0.72741224       0.18255401       0.80212051 
Hf       0.00396963       3.04596999       5.33293998      -3.10592875       1.66380969      -1.59590913 
Hf      10.88259995       3.62317998      10.12020000       2.22532667       1.28397586       1.98422732 
Hf       1.65762000       4.90816000       7.23038003       1.28396886       3.02053011       1.05874552 
Hf       9.11765001       8.59632001       7.38535995      -1.48809912       1.44005609       0.41955810 
Hf       2.10511001       1.68559001       7.85517002      -3.33532344      -0.36493293      -3.77060765 
Hf       7.31542000       7.27737000      10.45490003       1.80921369      -3.05088226       2.57962709 
Hf       9.29799997       9.31440002       2.49070005       0.06736158      -7.92740566      -2.54928612 
Hf       1.52775002       5.31315997       2.66709996      -2.29115832      -0.42747783      -0.44141167 
O       5.13932998       6.79097995       6.30029999      -1.21760930       0.53239247       1.63963809 
O       9.98366996       7.13313997       2.98911997       0.46108326       1.23769563       1.02605283 
O       7.09542003       0.93417205       6.57787999      -1.23452039       1.98264191      -1.76072851 
O       5.39463003       7.03204000       9.29063995       1.01516465      -1.74622343      -1.95631394 
O       9.52878998       7.68983994       9.18950000      -0.18986739       0.12604784      -1.61399917 
O       3.95367996       1.93267001       3.64168997       1.56809029      -4.10075602      -0.84614008 
O       9.33627996       2.84664001       0.65501495      -0.44229483      -0.10195168       0.80753387 
O       8.56877003       3.52025001       3.24772999      -0.60820611      -2.08788019      -1.33437019 
O       6.45016001       8.95666004      10.22550000      -0.32160295       3.20411241      -2.37997788 
O       3.63187996       9.17577003       1.11009000       3.61650957       1.43725292      -2.47102996 
O       7.14479003       1.39213001       1.17426998       0.92689665       0.75539877      -1.39849268 
O       6.99179001       1.57494001       3.79439995      -0.80564291      -0.43019220       1.01803471 
O       7.76282003       1.28745004       9.02000000      -3.49872509       2.70734616       3.14935364 
O       2.11813996       0.12282603       0.66883898      -2.30930035      -0.69594152      -2.65254900 
O       7.79273996       8.23208002       3.91959997      -2.60122101       1.93237438       1.18694701 
O       8.63825000      10.30699996       8.80948998       0.82406359      -2.55395546       1.10044009 
O       9.11159999      10.94770002       0.86419497       1.91963022       0.68709230      -1.03960078 
O       4.96875004      10.96390004       7.87275995       1.03594884      -1.30947446       1.71607640 
O       1.56698999       3.47314001       0.84986497       0.17668967       0.53146415      -1.16753513 
O       1.64339997       3.06291998       3.83771005      -0.70887748      -0.00622706      -0.26970122 
O       9.02607998       3.50710002       6.27538006       1.24401092      -0.98506857       0.60030932 
O       3.66035997       9.06422994       3.93220002      -1.20116391      -1.41621339      -2.05250008 
O       7.86114999       5.80754996       3.71639002      -1.94114537      -0.39789837       1.03143201 
O      10.81869994       5.79988994       0.67733903       0.60479992      -0.66207514       0.67537632 
O       9.34553998       3.33589004       9.07854000      -2.52584420      -0.44060797      -3.14094656 
O       7.68652998       5.26896998       9.28069000      -1.04855854       1.24943367      -2.20323250 
O       5.54304003      10.58599995       3.10753998      -0.70069153       6.10366758       2.97539700 
O       5.04701997       6.75166998       3.63876004      -0.33989979       1.61379395       1.68534779 
O       5.34133001       7.21527003       1.01810999       0.97356351       0.27565407       1.06762101 
O       3.42338005       1.85941002       9.22169999       1.90414061      -2.04115296      -0.15399075 
O      10.70949996       4.69995996       3.44859003       3.06857701       1.01148232      -0.78452338 
O       0.01611160      10.05580000       7.32468003      -1.54644902      -1.80444148      -1.35400790 
O      10.96510000       5.33623997       9.01197998      -0.82386670       1.09623708      -2.40900655 
O       5.61086995       3.61061997       1.20672000       1.30284835      -3.49650727      -1.02714195 
O       5.10265999       0.52419198      10.69822956       5.86753695       0.28557557       1.39048872 
O       7.49252002       5.51698999       0.98599805       0.08314886       0.81807302      -0.43212782 
O       3.10476998       5.12550002       5.64979004      -0.07076478       1.22294630      -0.58439548 
O       0.02937065       5.15384002       5.92675999       0.30663825      -3.39699783       1.26761232 
O       3.88629003       4.72279000       8.29219997      -0.07228229       0.63669741      -0.29179124 
O       1.79661998       3.14279003       6.24822000       0.86299348      -0.66993757       1.31982780 
O      11.07817941       1.43700996       6.89383004      -1.05910726       0.51782768      -1.17834775 
O       8.91827000      10.29360001       6.14812999      -0.19399363       1.29609374       0.02546431 
O       2.12504002       0.11932003       2.86308000       0.75206705      -3.11258890       3.30571347 
O       0.18673802       1.51641005       9.50169997      -1.80304058      -2.71971698       1.52412014 
O      10.95550005       1.17010001       2.25613997       0.68077410      -0.38046325      -2.76652028 
O       8.91631996       8.15110998       0.94123999      -1.97125452      -2.30900942      -2.61116721 
O       3.55046005       4.28609003       2.92944004      -4.33232539       1.35549942       0.16189434 
O       9.89425998       1.62271000       4.45907995       1.27212444      -1.84382029       0.68319301 
O       1.42981002       3.47931995       8.75221001       0.76831917      -0.05939914      -0.25423286 
O       5.61617000       9.63322998       5.54545000       0.36651088       0.89534720       0.90731076 
O       0.89429105       9.36457003       9.75873998      -1.60002559       0.62705913       1.41399737 
O       3.73298005       1.90259998       1.19158997      -0.68624450       0.76885966       0.00037824 
O       1.28759005       7.03292998       6.33625996       2.03817298       2.74584748       1.37895626 
O       3.93113004       1.55705000       6.54490000       1.72758018       2.33957813      -0.67642520 
O       3.31196998       9.00336998       6.31203005      -0.09892439       0.03649310       2.30222492 
O       3.77430995       8.79829995       9.22995002      -0.07296234       2.22246327      -1.24028478 
O       7.10727998       8.14738997       7.28325003       1.54549201       0.49496312       0.26941906 
O       5.76255996       3.74988999       6.62161997      -1.03261708      -2.62058864       0.99184326 
O       7.61335996       5.31609994       6.40140001      -3.33719573       1.43118623       0.41581234 
O       3.90998998       5.20167003       0.19300598      -0.96122113       0.28806525       0.31430456 
O      10.22200005       9.23934997       4.42989999       3.38948010      -1.57615158       0.06401353 
O       5.64719003       3.83905001       4.08570001      -1.18445599       0.90270266      -0.72050527 
O       2.15114996      10.92170002       8.40392996       1.70372111      -0.85069353       0.78805493 
O       2.15896996       0.42404700       5.73813998      -1.80030421      -1.71380438      -1.00166307 
O       2.16281000       7.28307998       1.39918997      -0.34995170      -1.36670763      -0.98193933 
O       5.87341997       3.23927003       9.30138003      -2.08180713      -0.55680458      -1.62288134 
O       9.36387997       6.88041001       6.34484999       0.20767186       2.00871746       1.55939802 
O       0.08530445       9.39976005       1.64786996       0.37737482       0.98684617      -1.40660317 
O       1.36155996       6.98106999       3.82774998       3.07012894      -0.80236424      -0.73466517 
O       1.88792996       7.10338003       9.13494999       0.66029407      -0.07585265      -1.06132205 
O       8.53198998      10.63739998       3.45917005      -0.50057439       6.37393863       1.55010501 
O       7.13723996       9.79703999       1.58484001      -1.82031381      -0.92961537       0.43913006 
108
Lattice="11.09263825 0.0 0.0 0.0 11.09263825 0.0 0.0 0.0 10.76156005" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0013645274694548833 0.006835293311502552 0.001870854087549547 0.006835293311502552 -0.003344553790408175 -0.015902560659809124 0.001870854087549547 -0.015902560659809124 0.0315098687526673" pbc="T T T" energy=-1043.86408221 free_energy=-1043.86408221 config_type=crystal 
Hf       1.39312000       1.57501997       2.45907996       2.39862209       1.07077835       0.32401210 
Hf       0.08202340       6.79947000      10.75542714      -0.62107004       1.12253124      -2.58169112 
Hf       1.81725002       8.76292997       8.01958999      -0.04723563       1.29918846      -1.30318256 
Hf       7.50362002       3.46659998      10.12389995      -3.91237399      -0.37546652       2.74897152 
Hf       8.95181997       5.31101997       2.33409004      -0.78506201      -1.62125779       2.40709934 
Hf       3.54998001       7.31724995       5.25048002       0.09109024       0.49285058      -1.01102598 
Hf       3.49572004      10.75739998      10.59350000       1.29949564       3.36528162      -0.13691992 
Hf       7.53145001      10.60330005       4.84791998      -1.03503813      -1.14265957      -2.04755621 
Hf       5.18826995       1.77329000       2.40727005       1.16675701       1.17409820      -1.20859295 
Hf       6.24261002       1.30559997       7.44295999      -4.99138794       3.74780812       2.55345637 
Hf       1.61008002       9.21468998       2.33770001       0.29566498      -1.01564373       2.62821656 
Hf       3.80281995      11.00950004       4.88795998      -1.55110238       0.54507183       0.28123135 
Hf       3.54398999       3.20446996      10.18670000       1.08801283      -0.07962364       0.60966806 
Hf       6.79978004      10.96189997      10.55499998       3.86529129       0.34287591       1.61705326 
Hf       9.22503997       1.59410995       2.35189999      -2.16341524      -1.84955732      -1.42200022 
Hf       5.81902997       5.03644002       7.25417005      -2.09665389      -0.86538913       2.41692294 
Hf       3.22088995       3.59155001       5.22166003       3.93549663      -2.88418231      -2.30622659 
Hf      10.84330004      10.42759998       4.99643005       0.32698411      -0.51930849      -0.74266158 
Hf       9.58639996       1.56298002       7.54892003      -4.03214440      -2.47653077       1.40869400 
Hf       5.26390000       8.77833998       2.16587997       2.17667424      -0.39499329      -0.89517386 
Hf       3.62816004       7.10767995      10.23640001       4.68221965      -1.55135865       0.36897766 
Hf       4.97317005       5.40693003       2.37897005       3.07450675      -1.54237647      -1.28291908 
Hf       9.24162002       4.95431001       7.93296998       0.26669184       4.78059229      -1.29566629 
Hf      10.67090003       7.02178998       5.47815998      -0.77200700      -2.55974883      -3.68917138 
Hf       5.60701005       8.93999998       7.56123997       0.58635980      -1.43166935       2.38889221 
Hf       7.24971996       3.54363003       4.54686997       0.66388246       7.02107440       1.67284473 
Hf       7.26386995       7.27526997       5.07794004      -0.32524301      -3.02814561      -4.46768510 
Hf      10.76430004      10.91799997       9.98930996      -2.32864864       1.36407952       4.58162093 
Hf       0.16760300       3.54939000       5.30466997      -9.19358570       2.27206831      -7.42980788 
Hf       0.08842419       3.32583995      10.39549999       1.93521240      -0.08654693       1.55707444 
Hf       1.76557996       5.18719995       7.98564996       0.95899332       0.78803368       1.16901471 
Hf       9.11293998       8.67642004       7.78330003      -0.58617369       0.13057737       0.63092069 
Hf       1.85890998       1.44241003       7.58186999       3.78296291       2.60916463       3.47307408 
Hf       7.39875000       7.04420000      10.21089995      -3.76929137       0.33447588      -0.43422215 
Hf       9.13921001       8.79821998       2.11847002      -1.33818754       3.54701975       0.99525370 
Hf       1.66966003       5.81428998       2.78230999       2.43428102      -1.22315623       1.71496416 
O       5.55440998       7.24577997       6.58378996      -3.03044506      -0.72533632       0.45930396 
O       9.08568005       7.21064004       3.78254996      -1.11868742      -0.43157628      -0.74771863 
O       7.64034999       0.77503798       6.34325005       2.25745304       1.06238330      -0.81620907 
O       5.55577005       7.07226005       9.19697999      -2.56085690      -1.07281581       1.68822038 
O       9.47349998       7.36878002       9.34442003       0.96827502      -1.25077574       0.16450743 
O       4.00159005       1.76742999       6.26066003      -1.96771071       0.71008643      -0.48846616 
O       8.99455003       3.34746005       1.43793996       0.61052522       2.46985778      -0.06175907 
O       9.42716004       4.42453005       4.27537001      -0.77840306      -1.22304102      -1.21298777 
O       8.79553002       0.18586104       9.12334003       3.49039986      -3.22140263      -0.04995787 
O       4.06304005       8.87221997       0.17300198      -0.01077122       1.32084623       1.95160150 
O       6.70005001       2.12645997       0.91568296       1.43480364      -0.91425896      -1.49787364 
O       7.42270999       2.08033002       3.57319996       3.81179531      -6.54592036      -3.56271893 
O       7.78879001       1.91220999       8.78889001      -0.12234616       2.60242625      -1.91797759 
O       2.31032001      10.81710000       1.49946003      -0.86404853       1.32398709      -1.15796573 
O       7.10985999       9.24083999       3.00172001       1.12509430      -0.38219469       0.85947673 
O       8.53240998      10.83279997       1.16189002       0.04728274       1.42578820       0.91974933 
O       5.54441995       0.61600903       4.06016001       0.60736841      -2.29948093       0.34723375 
O       5.63965003      10.91010001       8.84670003       0.74297944      -0.15637788       0.57317091 
O       1.66447999       3.08809997       0.95950898      -0.20178834      -0.43697089      -1.55585598 
O       1.74907999       3.30085999       3.84265005      -2.03089046       1.78145083      -0.01872796 
O       9.36993999       3.39794997       6.82708000      -0.50857868      -1.08885076       0.22564731 
O       3.76068002       9.52733000       3.19748000      -1.09145566      -0.17668282      -0.39628934 
O       7.27542005       5.32381001       3.24536001      -1.12499215       0.02189855      -1.49338992 
O       0.26261300       5.23541000       1.13266001       0.00732295       0.10715650       1.75446105 
O       9.38941001       4.30633000       9.65982995      -3.00251626      -5.06587696       3.72226144 
O       7.32522001       5.39392003       8.64470996       1.42672258      -1.06396908      -1.40216783 
O       7.10045997       8.90836999       5.91117998      -1.37657459       4.07912338       0.44593581 
O       5.50084996       7.32402999       4.18138995      -3.46233658       0.49062925      -3.14602419 
O       5.88192002       7.11605001       1.08995997      -0.59718682       0.14462176       1.80715985 
O       4.32570995       1.61047004       0.53257099      -1.47553686      -2.26888640       1.03599923 
O       0.55037700       5.48071005       4.56545001       1.18932627      -0.23099540      -2.25711676 
O      11.00919998       8.41149001       6.69980001       2.30708066       1.73152759       0.75440439 
O       0.03492861       5.23734999       9.34428003       4.11209798       1.08279146      -0.83441781 
O       5.75975003       3.07524006       8.70472998      -1.32248148       1.41024968       0.67533278 
O       5.50246005      10.63389998       1.22257004      -1.07044582       0.12750478       0.63212445 
O       6.73934002       5.00518995       0.41830399       2.30511430       0.16947369      -0.43042177 
O       3.82176995       4.86542004       6.54418000       0.11550394       0.17054091       1.86290642 
O      10.93030004       5.28833997       6.85152004       1.24032243       0.31981014      -0.38546617 
O       3.48442995       5.10059995       9.38353002      -0.32355135       0.71711517      -0.47823706 
O       1.54217001       3.16121000       6.33552002       5.68701654      -1.24045185       5.49489402 
O      10.49030001       1.52877997       5.78828996       1.33176016      -2.28708573       1.33497701 
O       8.97262998       9.95473002       6.22325995       3.95829984       1.87786661      -1.20344362 
O       1.32391004       0.00859957       3.95341997      -0.07602864      -1.70695891      -0.91102784 
O       0.12340105       1.60740004       8.89050001      -1.20240511       0.09423304      -1.00114958 
O      10.61720001       1.53150998       0.82726297       1.59241884      -0.10474696      -1.24197548 
O       9.38975000       7.00227005       1.08109997      -0.67465315       0.03180951       0.71167018 
O       3.46625001       5.39248997       4.12152996      -0.10541934      -0.45058018      -1.61496006 
O      10.87149996       1.76319005       3.51274000      -2.23800074       1.49477125      -1.19122379 
O       1.81326998       3.28577999       8.86449998      -1.49439830       1.64717714       0.60646777 
O       5.08155001      10.43099998       6.35165999       0.24044416       0.89386140      -0.88992056 
O      10.74510001       9.68604003       8.64139002       0.77338459      -3.31854398      -2.85852587 
O       3.26322999       1.66501998       3.35718004       1.53699329      -1.30065199      -0.12287665 
O       2.05065998       6.69123003       6.51359995       0.12479427       1.09353957       1.74026562 
O       3.35542002       1.46036002       9.31069998      -2.27822147      -3.10066462      -3.67652516 
O       2.61425996       9.23951996       5.30062997       2.12253175      -2.75220002       1.97611369 
O       3.82818005       8.68884002       8.55377005      -4.07843356       0.33775367      -1.50535812 
O       7.26399996       8.27244002       8.48012998       2.49306104       1.63946128      -2.03406507 
O       5.48919004       3.49814001       3.57968003      -2.64176710       1.07697020      -0.68455677 
O       6.64167001       5.50418995       5.64479004       1.91338718      -2.42815048      -0.58939763 
O       3.49490995       6.57480004       1.77756005      -0.11530935      -1.31953732      -0.24125523 
O      10.86229995       8.59491999       3.81779999       1.84568107       2.32375473      -0.75573288 
O       4.38219999       3.94192996       1.04585005       0.39129970       2.24224323       2.86579177 
O       1.71578000      10.43439999       9.58373001       0.81394636      -0.87680229      -0.94965609 
O       2.03924000      11.00299997       6.62036000      -1.27609294      -1.98863362       0.13078070 
O       1.77398995       7.73494002       0.91036201      -3.23927389       0.19455852       0.62974746 
O       6.30698004       3.14011003       6.15947005      -0.51968935      -0.66327187       2.88835372 
O       8.79089995       6.95421996       6.34263998       2.60184595      -0.51916669       3.00142231 
O      10.75070002       9.62673002       0.84218096       0.75553892      -2.00893696       2.01397844 
O       2.00689997       7.35453996       3.88281004      -0.65873715       1.33350665      -2.32680266 
O       1.87691998       6.86022005       9.30685003      -2.47778460       3.04243043      -1.85742756 
O       9.35952001      10.60399999       3.58344001      -0.76974992       0.84888472       1.61248852 
O       7.30172003       9.02086998      10.69585535       0.42511839      -0.18025001       1.38772201 
108
Lattice="11.09084341 0.0 0.0 0.0 11.09084341 0.0 0.0 0.0 10.75981878" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0026054178395860414 0.006440942656401543 -0.002364843239385259 0.006440942656401543 0.007945518561894621 0.009484183730263555 -0.002364843239385259 0.009484183730263555 0.03807862811625418" pbc="T T T" energy=-1045.25222379 free_energy=-1045.25222379 config_type=crystal 
Hf       1.93133995       1.53652001       2.51354004       0.17144344       1.38745960      -1.06564946 
Hf      10.95340002       7.05734999       9.94684001      -2.76319157       3.87197554       2.73657110 
Hf       1.61066995       8.84888997       7.29345999      -2.24848349       2.68785415       3.80277108 
Hf       7.37739003       3.26439999      10.08740005      -3.88790970       0.89012537      -0.73141647 
Hf       9.65821998       5.27882999       2.29397002      -3.80559306       1.48728508       2.28522719 
Hf       3.76134996       7.18593002       4.64880004      -0.08772123      -1.57386140       1.46359312 
Hf       3.11737001      10.86250002      10.33199999       0.36547439      -0.31192517       1.18845662 
Hf       7.36385998      10.78409996       5.12114995       1.94020871       0.13850484       1.51276476 
Hf       5.72401001       1.33660002       2.41272000      -1.99939970      -4.84906618       0.84828110 
Hf       5.07806998       1.05868999       7.78480001       2.23201993       2.84015882       0.82238728 
Hf       1.65565996       8.95959999       2.60169997      -0.73578377      -1.60943168      -2.57240949 
Hf       3.76710001      10.55219996       4.97378003      -1.14990967       1.29579899       1.18307816 
Hf       3.31801003       3.13179998      10.34320000       9.02464179      -0.67263815       0.23354548 
Hf       7.08703996      10.67260005      10.49109995       0.21524817       0.32007064       1.14715539 
Hf       9.31066001       1.58752003       2.12573003      -2.91482542       0.69396010       2.20974347 
Hf       5.31689000       5.12594005       7.74736004       1.22133586       0.70642204       3.35314214 
Hf       3.75987000       3.30649995       5.22760997      -3.35158444      -1.71115094      -1.79606108 
Hf      11.06521425       0.04927817       4.96389004      -2.74335844      -3.41175202      -1.61728608 
Hf       9.12534998       1.74749003       7.60520002      -1.43011346      -5.03014698      -0.53602180 
Hf       5.87171997       8.86942001       2.29438997      -0.86724561       1.14526284      -1.70858035 
Hf       3.34445004       7.47296005      10.45299997      -0.05091064      -0.80544027      -0.41600770 
Hf       5.49760997       4.81427005       2.00894995       2.76020319      -0.01751340      -2.16037672 
Hf       9.30150995       5.05004996       7.66697999      -0.77524907       2.42907007       0.19898800 
Hf      11.02100004       7.13632001       5.08530996      -4.81979027      -1.60462292      -3.31316457 
Hf       5.30935998       8.71563005       8.04321998       0.07982373      -2.19900939      -0.82975450 
Hf       7.12313999       3.16749996       4.84205004       0.81623844      -0.61896399       0.67185399 
Hf       7.22199999       6.92978000       5.21524995       3.73939965      -1.25273792       0.44435898 
Hf      10.68260000       0.08254027      10.27560004       1.74458164      -4.74599958      -1.33753730 
Hf      10.92939999       3.48590000       5.00225998       0.27013305       1.81517467      -2.14632463 
Hf      10.81429999       3.46520005      10.41669999      -2.83029468       2.20930312      -1.17806837 
Hf       1.83939997       5.34623005       7.30672996      -0.48505375      -0.26349523       2.03763266 
Hf       8.94306997       8.73050997       7.87448999       1.27089657       0.55214115      -1.13146265 
Hf       1.51349997       1.32827002       7.59340005       1.03469233      -2.33751429       0.32567067 
Hf       7.46417998       7.13413001      10.68030243       1.23984772      -1.76637502      -0.36497315 
Hf       9.47466996       9.23981004       2.34305997      -0.68372917      -1.08677135      -6.58006732 
Hf       2.35316998       5.07348003       2.00764995      -3.35504790       0.16353380       2.66456928 
O       7.26693998       9.15265996       6.52414994       0.88397428      -0.28958651      -0.57913092 
O       9.08787003       6.55310002       3.89592003      -1.45918509      -0.03606824      -0.00672320 
O       7.00414999       1.55221001       6.52797000      -0.39694731      -1.06177809       0.01564461 
O       4.28745998       6.83315003       8.62075002       1.77454123       2.67375780       0.54591626 
O       8.94129001       7.03476005       9.09892003       0.33104320      -1.21465111      -0.39887055 
O       5.32866004       3.41088996       6.42875995       1.36649603       3.38789061      -0.30416679 
O       8.75244999       3.62933998       0.59268202       2.22907477       0.51191742       2.48565967 
O       9.11963997       3.43985004       3.35399002      -0.15700495       0.63363074      -0.02173976 
O       9.26609001      10.69439999       8.49193003      -0.76913895       1.47992420      -0.36189706 
O       2.72009001       9.55138000       0.99819796       1.14158357      -0.57072662       0.10087146 
O       7.22242000       1.11210005       1.22145000       3.76603296      -2.02433513      -0.38382626 
O       7.79489995       1.22217002       3.59476001      -2.02432132       2.58973328       1.61613475 
O       7.62312996       1.32463000       9.66003995      -0.01347774       0.46064513      -2.33442643 
O       3.87247999       1.19354000       1.16845004      -1.18556442      -1.55749535      -0.95348990 
O       8.10909001       9.77039000       3.50709999      -3.42466724      -0.83319911       2.44056722 
O       9.14984001      10.51460001       0.55039701      -0.73168447       1.91272313       0.23219300 
O       5.75462995      10.79479996       3.86047998      -3.43571626      -0.86207493       0.62303344 
O       5.16214999      10.91439996       9.47174000       1.57011218       0.30012364      -2.24175850 
O       2.27405999       3.93916003       3.77813003      -0.04837802       0.14360808       0.31877524 
O      11.05214834       1.34312997       6.30016000       0.68365027       4.29509132       4.70438329 
O       7.44860001       5.01030004       8.28156998      -0.39820750      -2.31181646      -2.45838420 
O       3.76530995       8.87071997       3.59697998       0.13524268       3.54832600      -1.43309800 
O       6.74917005       5.14483996       4.33715997       0.13769575      -1.33205242       0.90507407 
O       0.15236501       5.08041004       1.25495995       2.25777020      -1.61190292      -3.21919845 
O       9.07585998       3.18417005       9.09361995       1.54776889       1.85038276      -3.34281664 
O       6.33089997       5.73445005      10.03560002      -1.63756490      -2.17631291      -0.51320266 
O       5.06132003      10.28970000       6.72188001      -0.56631488       1.71595797      -1.13225467 
O       5.67816002       7.60438000       4.34407003       0.11389579       2.33122090      -3.41513736 
O       4.96855999       7.42578004       0.85306996       1.47140495       2.13324523       2.02573891 
O       5.96005998       2.81227999       1.43394997      -0.75240382       9.69680405      -3.38697757 
O       0.11125702       5.25327004       3.69901997      -0.19853556      -0.22425774       1.05941340 
O      10.32709998       9.04501002       6.22975000       1.82857044       0.14904769      -0.67007731 
O      10.96800001       5.17879003       9.04576996      -0.65473241      -0.68635690      -1.01819987 
O       5.31356995       2.89664005       8.92518005       1.11222004       0.08122836       1.43479309 
O       5.49406001      10.46719996       0.96139002       0.41706870      -2.45394844       3.50226153 
O       9.36862996       7.16472000       0.76508100       0.88961550      -2.15071587       1.40857032 
O       5.77600001       6.88454001       6.68366996       0.53761481      -0.60523450       0.45978874 
O      10.97087642       5.06087995       6.23635998      -0.21664029       0.70959959       1.85207837 
O       3.56027996       4.80442005       8.60726001      -3.76550605      -3.24911006      -0.81551155 
O       1.64692004       3.49762002      10.13310001      -5.49120338       0.79783657      -2.05155953 
O       8.91473997       3.25424999       6.19644998       1.35540548       1.49379489       0.26264905 
O       9.13763997       0.43634295       5.68064998      -1.09381684      -0.88581970      -0.15365884 
O       1.64888002      10.95159998       3.87833999       1.45837063      -3.41454216      -3.83020569 
O      10.81100003       1.69278001       9.10565998       1.65686725       1.49115813      -2.61920957 
O      10.89930000       2.14314001       0.99949797      -0.84662616      -1.28768607       2.40191664 
O       0.13941900       8.90973999       0.63185895       0.13681045       1.29890322       1.84909240 
O       4.05985003       5.67306999       3.01799004      -0.60857986       1.73864691       2.19924573 
O      11.05737967       1.86560996       3.87398000       1.79716124       0.03373913      -1.38939734 
O       2.91503998       3.14600003       1.62080003      -1.65769590       0.53536390      -0.25209959 
O       3.84414999       1.51950998       6.26420004      -1.28207344      -1.66188042       0.52211834 
O      10.70559997       8.74829003       8.86570999       0.86017932      -1.05895497      -0.33862135 
O       3.10698998       1.58792995       4.04509996       2.05542257      -0.94700280       0.00874518 
O       0.92344303       7.16652004       6.67962997       2.14380999      -1.72933406       2.38025961 
O       3.30570995       1.28874003       8.81526000      -2.27395580       1.61136813       0.31288473 
O       3.32625995       8.65211002       6.46333997       1.84786296      -1.00080726      -2.00390902 
O       3.67507995       9.01630004       9.17349999      -1.70358511       1.86445866       1.29504412 
O       7.03423002       8.77742002       9.38897999      -1.01696296       0.64858370      -1.67441314 
O       5.27972003       2.93036996       3.93754998       1.72475432      -0.25195875      -1.31011408 
O       3.19501002       5.75703999       6.02609999       0.92586974      -1.29442669      -0.73391725 
O       3.65102003       5.06545004       0.52274105       1.42614236       0.60866318      -0.93528879 
O      10.50459995       8.44157997       3.65020999       4.53058177       0.61812523       0.67413488 
O       7.24649002       5.60630999       1.45746996      -0.68405766      -0.06434252       2.57292369 
O       1.31059997      10.71179997       8.79905001       0.78388415       0.12140307      -0.92330869 
O       1.76332000      10.65280001       6.15903002       0.26069816       0.76074363       1.56277610 
O       1.86718996       7.23711005       1.49297995       1.70046453      -1.92394942       0.15757240 
O       1.61096996       3.31790999       6.23277997       1.33098574      -0.10136968       2.28568793 
O       8.96437005       6.76942005       6.49823998      -0.37449823      -0.43031140       0.53388802 
O       1.29544001       0.60506396       0.36512703       2.87522347      -0.49621361       1.23784217 
O       1.86973997       7.78830001       4.38375999      -2.04131313      -0.75463383      -0.73619506 
O       1.62138005       7.20801998       9.04672996       2.14089115      -0.59566044       0.20261285 
O      10.21970003      11.05569697       2.86444001       0.36107344      -0.73621440      -0.10206492 
O       7.52537005       8.75451998       1.14594997      -1.79846893       0.89340031       2.20993047 
108
Lattice="11.08883283 0.0 0.0 0.0 11.08883283 0.0 0.0 0.0 10.75786821" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004374133462577112 -0.0067235236865590894 0.003611246928014093 -0.0067235236865590894 0.025030551319601434 0.009731594362058988 0.003611246928014093 0.009731594362058988 0.010313903239799416" pbc="T T T" energy=-1051.96052051 free_energy=-1051.96052051 config_type=crystal 
Hf       1.86553999       1.14894003       1.83679003       0.22231559       2.26013322       3.70516308 
Hf       0.10550004       6.87154001      10.41600005      -0.68449901       1.52458115      -3.62092045 
Hf       1.59974000       8.81716001       7.93674002      -0.39066965      -2.48296588       0.11413279 
Hf       7.41718001       2.98190003      10.35300004      -2.80670312      -2.11811005      -2.47064158 
Hf       9.47407001       5.43080001       2.23710999      -2.80061267       0.96081235       3.65367404 
Hf       3.71120004       7.19528004       5.35859001      -5.76283218      -0.61460131      -1.10050265 
Hf       3.68606997       0.15996905      10.01560005       0.09116133      -6.55808452       1.24547632 
Hf       7.13389005      10.71370005       5.05750998       1.12134352       2.27973968       2.05887949 
Hf       5.52101000       1.25321997       2.17978002       0.43677510       3.09625804      -1.86960843 
Hf       5.57079996       1.71473996       7.60789996      -1.12332246      -2.75168665       0.69854084 
Hf       1.62595001       8.71237997       2.43844005       1.86900422       0.35250682       1.72674915 
Hf       3.43740001      10.55620004       5.32616999       0.67449524       1.59943422      -3.67472542 
Hf       3.83079997       3.53099996      10.19180005      -0.28778247      -1.73800803       3.58276764 
Hf       7.50832001      10.55439999      10.20310001       1.41310255      -0.71587065      -1.95748290 
Hf       9.21707001       1.82007001       2.15697000       0.67069586      -0.70716737       3.26758573 
Hf       5.27511003       5.13126003       7.88782001       0.42329481       1.92109980      -0.50323487 
Hf       3.65625997       3.49393997       4.42611004      -4.97642312      -2.09033114       3.70146989 
Hf       0.17065104      11.02409024       4.75715998      -2.38935879      -1.16692224      -2.47067735 
Hf       9.32363003       1.51636995       7.49002998      -4.02248060      -3.16439426       6.98031286 
Hf       5.97217003       9.16551004       2.52657001      -2.10721665      -0.57413725      -5.78256800 
Hf       3.78620002       7.38754998      10.47670003       0.13514012       0.31549292       0.81071622 
Hf       5.25845005       5.56641999       2.44891004       0.31423201      -0.27434272      -0.82410310 
Hf       8.77232997       5.14997998       8.25738000       2.85381476       0.74752416      -2.46952410 
Hf      10.97310001       6.93326999       4.89333996      -0.43630903       2.08724679       1.29804389 
Hf       5.31123999       8.98511003       7.55806005       2.27673898      -0.87460685       3.12181339 
Hf       6.96945995       3.34039002       5.08638001       1.58867385       0.23942018      -0.22793510 
Hf       7.26966005       6.98709996       4.84878001       2.05059858      -1.61987943       2.27018609 
Hf      10.79580000      10.75430004      10.32930002       1.92170666       1.01946094       0.86943257 
Hf      10.56750000       3.21199997       5.14409995       0.95925915       3.19017097      -0.51441777 
Hf      10.79550005       3.35207998      10.51080000       1.26754290      -2.46968518      -0.69789045 
Hf       1.34864004       5.05276995       7.23420002       1.33936132      -2.17462798       1.20213245 
Hf       8.85530005       8.81543004       7.52284997       3.96160142       0.54015278       1.83400450 
Hf       2.01834999       1.24717999       7.43748995      -1.11436642       3.31851903       2.68178339 
Hf       7.31813000       7.09188998      10.36840003      -1.66035769       1.45561432       0.72423792 
Hf       9.33992995       9.26884000       2.35522998      -0.34393620      -1.54233809       0.69198075 
Hf       1.82042996       5.02531000       1.99947998       2.74005556      -0.59570380       1.33986046 
O       7.13798005       8.84985000       8.97596999       1.64595328       1.37302714      -0.84763649 
O      10.35259998       7.06681004       1.39155005      -0.65660256      -0.71532444      -0.12128116 
O       7.09995001       1.08839001       6.57265997       0.10912794       0.11397428       1.01671874 
O       5.56436999       7.28245002       8.93962001      -2.03235274      -1.98896608      -0.03312101 
O       9.36313999       6.61089999       6.12114999      -2.03015334       1.52418210       1.45683807 
O       5.15089004       3.24728996       6.18538005       1.71929630       1.45656689      -0.00635432 
O       8.70238006       3.48046006       0.87399202       5.00741100       1.03463068       1.60016182 
O       8.76717000       3.41457997       3.41581002       0.00468568      -1.08943300       0.79609084 
O       9.14565005      10.61090003       9.00691995       2.25427988      -1.00908788      -3.35835779 
O       3.78490995       8.75710001       1.38967000      -1.30047465      -0.51644079       0.31065821 
O       7.46591997       1.37453002       1.32676003      -0.53436784       0.65274131       1.24172513 
O       6.66292004       1.61209995       4.31343998       0.49042426      -0.77968660      -2.23498127 
O       7.36143999       1.19954004       9.15182004      -0.35615514       2.81025693       0.00880239 
O       3.79246000       1.17085001       0.96004098       0.65977776       1.85978102       1.85801707 
O       7.32442003       8.63957002       6.45099999      -2.77465069      -1.06009132      -2.97510610 
O       9.22116001      10.60389998       0.70650503      -1.63942095       1.11968006       0.99340566 
O       5.46441004      10.86869998       3.44781995      -0.41871989      -2.25468323      -0.67450670 
O       5.28490002      10.78760003       8.67678001      -0.94007989       0.18917187      -1.76465235 
O       1.59768003       3.86087001       5.52931996      -0.60737584      -0.40000812      -1.08033516 
O      10.88509682       1.51159997       6.57003000       5.27515318      -1.01242348      -3.37942376 
O       6.54038999       5.03466998       4.03805996       1.19962286       2.27476389       1.01309021 
O       3.24955995       8.90475004       4.12863003      -0.23481905      -0.34205948       0.36466196 
O       7.75533995       6.20236998       1.64599999      -1.63314412      -0.49106099      -2.26470556 
O      11.07606648       4.50916997       1.58797000      -0.07834671      -1.56102922      -1.58023184 
O       9.12425004       3.17830999       9.10210998      -0.76391203       0.00238148      -1.79066480 
O       7.17781003       5.40442001       6.78030996      -0.08822948      -1.24273969       0.29351059 
O       5.39253999      10.22489998       5.95551001       0.24150214       0.30088553      -0.90944428 
O       5.59793001       7.62982002       3.55544005       1.08400328      -2.29582011       1.30887865 
O       5.45712002       7.03030005       0.84011205       0.95115150      -0.68695856      -0.11826046 
O       5.77745001       3.40704001       0.48226297      -2.64991304      -0.05722476       1.90023275 
O      10.33429996       5.13471997       4.26437001       1.07210991      -1.35116671      -1.04245639 
O      10.99639998       8.60121996       7.02031004      -1.26738297       1.01563755       0.86538004 
O      10.42020005       5.06155995       9.71864996       0.75895461       1.00960077       0.37081244 
O       5.75673995       3.19788000       8.90684004      -1.31380362       1.42381232      -2.38698392 
O       5.94547000      11.01390004       0.37261695      -5.75031293       0.48210637       3.79520546 
O       9.23430006       7.17069000       9.23534004      -2.14620305      -1.06087010      -0.89328235 
O       5.38578002       7.16018998       6.12383999       2.71721965       0.26397428       0.98034493 
O      10.54870000       4.24457001       7.07517000      -0.45771751       1.34017526       0.18824886 
O       3.77028999       5.01364999       1.21902999      -0.20646859       0.32360425       0.85235270 
O       1.86143003       3.39330005       0.37168198      -0.49005377      -0.23307238      -1.14386543 
O       8.77284005       2.74942997       6.21999995      -1.84772028       3.20943900      -3.43133313 
O       8.94222996      10.38820001       6.05282999       0.80757549       1.20664769       0.72311980 
O       1.50666999      10.72899998       3.18382004      -0.15596679      -0.79619105       1.12280942 
O      10.99560003       1.40782003       9.24956001      -0.17106903       1.31800327       0.17739513 
O      10.95628779       1.31900003       1.24676001      -0.22399500       2.01394690      -1.50219686 
O      11.04097354       9.41555002       1.71711003       4.04443115       0.01006611      -1.55904636 
O       3.51903001       5.59709003       7.23978002       1.63596013      -0.38708678      -2.49392274 
O      10.94686683       1.78917996       3.74230003       0.98560837       0.86001163       1.80096693 
O       2.44220998       3.33546004       2.92376998      -2.33561621       1.57761862      -1.64210835 
O       3.69818995       1.30701999       6.29061997      -0.07453135      -0.93799165       2.98995708 
O       0.07859920       8.87408997      10.00510004       1.57821487      -1.93394493      -1.95049201 
O       3.11717004       1.34432005       3.99094997       1.08821457      -0.97000726      -0.59784830 
O       1.69105000       6.78246996       6.30596995      -0.50026954       2.02908946      -3.93942174 
O       3.61215004       1.75328996       9.01799001       0.06259514       0.82505592      -1.14777797 
O       3.44344997       8.98890995       6.73108002      -0.91198599      -1.17485803       1.10307130 
O       3.34035997       9.12063996       9.48451002       1.67820352      -3.16751580       0.33566007 
O       7.53781997       8.95345995       0.61275903      -0.56453807      -3.36721657       4.37336016 
O       4.92903997       3.41588002       3.12761996       4.17029272      -0.80876671      -2.74679824 
O       3.93962999       5.19787997       9.48506997       0.80565811       2.29577899      -0.08481648 
O       3.70358001       5.66745001       4.05636996       1.38592674      -1.20363174      -1.34701155 
O      10.91388886       8.87757996       4.25207000       0.86011383       1.30972190      -0.33123404 
O       7.17871000       5.14055003       9.50598004       1.10728374       0.29254753       0.30186619 
O       1.91546003      10.62739999       8.75124996      -0.55965140       3.68533240      -1.29257030 
O       1.61649002      10.72100006       6.22847995      -0.10271751      -0.39871790      -0.99432068 
O       1.83250004       6.61384996       0.57716598       1.71756185       1.11917167       0.77345009 
O       1.98195999       3.27154001       8.04764998      -0.17276750      -0.61595381       0.49212901 
O       9.13146000       7.17022006       3.52296000      -1.96288035       0.42975503       1.28376724 
O       1.80503999      10.82639997       0.58616300       0.39689192      -0.49628215      -2.05305986 
O       1.44047997       6.88957001       3.52443996       0.18442877      -0.36126635      -2.79909077 
O       1.45311004       6.56665001       8.62376997      -0.80036875       2.21721354       2.65842873 
O       9.67052997      11.00030003       3.46825000      -2.21225170      -0.01174558      -1.43078995 
O       7.67158001       9.49093002       3.49687002      -2.15668770      -0.86573438       1.20366151 
108
Lattice="11.08666434 0.0 0.0 0.0 11.08666434 0.0 0.0 0.0 10.75576445" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.014978834198702096 -0.010434891205472769 -0.011221781285900038 -0.010434891205472769 -0.0026835745536301363 -0.007416218871092393 -0.011221781285900038 -0.007416218871092393 0.041449061250713265" pbc="T T T" energy=-1042.45498444 free_energy=-1042.45498444 config_type=crystal 
Hf       1.78139004       1.39160997       2.01145003      -0.74561146       3.90670832       2.86775679 
Hf      10.95620002       6.91827001      10.19780003       1.45134307      -0.72000283       1.32926895 
Hf       1.82682995       8.71515999       7.61324995       0.55088657       1.29265664       1.50993776 
Hf       7.50602997       3.35099995      10.42230004      -5.42375375      -2.71048935       1.72225645 
Hf       8.84638995       5.00459002       2.18360002       4.39874770       0.50038309       3.39590141 
Hf       3.73942002       7.42752995       4.90499999      -2.96283926       0.76656345      -3.25545420 
Hf       3.71639002      11.02666741      10.52610005       3.37246839      -1.09644447      -1.96565916 
Hf       7.64454997      10.63699999       4.90460998      -2.47764929      -1.15723740       0.02647673 
Hf       5.52501002       1.47832997       2.49659997       0.09816672      -2.41406442       0.22380083 
Hf       5.14547004       1.43670997       7.41918004       1.90875472      -2.26523097      -0.19307220 
Hf       1.47836999       8.88565004       2.42965997       2.08354863      -5.72318751       3.99081428 
Hf       3.91333996      10.83119999       4.78065001      -1.67731976      -0.74575815      -0.05405682 
Hf       3.56279005       3.42611000      10.01810003       3.83465927      -1.28466882       2.08618455 
Hf       7.69534995      10.83240001      10.34170000      -0.45743632       0.32723346      -0.35059955 
Hf       9.08561999       1.46505003       2.44829003       0.54533340       0.64324966      -0.85542843 
Hf       5.63843003       5.01251000       7.57815002      -4.09105626       0.88640624      -0.98457063 
Hf       3.23351002       3.51505997       5.26814998       6.40395442      -4.11000900      -3.60416539 
Hf      10.87280003      10.91939995       5.14106998       3.57367122       0.95525451      -2.43380071 
Hf       9.22252000       1.73196003       7.64227998      -0.95149508      -3.99644818       0.69774028 
Hf       5.11721002       8.99883003       1.99470997       0.58905339      -0.42822309      -0.12494050 
Hf       4.18573997       7.29105001       9.90486001      -0.99997636       1.09198260       0.88397089 
Hf       5.56432998       4.85818995       2.14037002      -4.96280985       2.68253150      -1.77689724 
Hf       9.22931003       4.97311997       7.68013005       0.68850405       7.03888156       5.62453303 
Hf      10.71459999       6.88551003       4.78523003       1.61103572      -1.10840433      -4.11124427 
Hf       5.70672998       9.28783997       7.65387996       0.10422248      -0.46746180      -0.15264252 
Hf       7.19981996       3.48830995       4.90476002      -0.07189839      -5.57995152      -2.48394899 
Hf       7.03023003       6.98403001       4.69812996      -0.08422727       2.02392454      -0.53846052 
Hf       0.14042003      10.84000003      10.46559995      -1.58280397       0.35111524      -2.22663598 
Hf       0.08922015       3.36583003       4.93498996      -1.15411667      -0.72191390      -0.89572766 
Hf       0.27794999       3.38625998      10.45640001      -1.16644616      -0.10275269      -0.94528146 
Hf       1.82364996       5.42982003       7.47848001      -0.54204969       1.59888301       1.42207776 
Hf       9.47139001       8.60267003       7.54495999      -2.17713230       0.02478187      -0.05566984 
Hf       1.56468001       1.22303003       7.66389003      -2.33134157      -0.24713285      -0.16360423 
Hf       7.41684995       7.17091004      10.44129999      -0.77133848       2.03163406       1.51697225 
Hf       9.34619995       8.95364001       2.12048003      -2.02556980       0.18978906       1.45356067 
Hf       1.93610998       4.87611997       2.88186005      -0.50712690       5.34646353      -3.51561405 
O       7.57120004       9.48390996       8.81446997      -0.20648359      -1.75715742       0.64794203 
O       9.37272003       7.63537997       0.64085996      -0.82044221      -0.51749028      -1.25745138 
O       7.32777004       2.02298996       6.44559997       1.76878815       1.96856570       1.14476430 
O       6.18562000       7.37460000       8.85141000      -1.94289827       0.82531043       0.30943701 
O       9.26902002       7.13929996       6.01404998      -3.96516192       0.13023097       3.88712402 
O       4.78767001       3.13823999       8.26823998      -0.25632493       2.05019246       3.91652373 
O       8.07282005       3.13768000       1.66600004      -0.00538483       2.83962303      -1.17511677 
O       6.92869004       5.16045000       3.39307003       2.80175576       1.47814736       2.37406927 
O       9.31796000       0.08837324       9.02868005       1.59180750       0.33588667       1.53308796 
O       3.58356003       9.14502001       0.64541503       0.61851587      -1.99985586      -0.32630355 
O       7.63386996       1.01660000       1.08837000      -1.14146271       1.48334690       1.25876696 
O       7.34500005       1.44667998       3.71305004       0.17844015      -1.19408402       0.64554561 
O       7.08486001       1.37255998       9.31614001       0.48266464       3.40126109      -0.26976573 
O       3.86957003       1.92980998       1.10225999      -0.19592686      -0.99572300      -0.81748522 
O       7.33650999       8.86929001       6.46699996       0.11713392      -0.37070829      -0.91320758 
O       9.58477000      10.75799995       1.13966004      -2.61211413      -1.02494942      -0.93643934 
O       5.47900003      10.56989995       3.37769004       0.31775816       1.28244954       0.24387039 
O       5.16785002      10.88985232       8.96517996      -0.20844246       0.92824943      -2.06610599 
O       1.75006001       2.85345995       6.25826005      -2.46341164       1.02947424       1.55233161 
O      11.01560071       1.53297004       6.19933997      -3.45125778       1.02263966       0.68163856 
O       3.59056004       5.15282005       4.08421996      -0.01861436       0.26110111       0.07812917 
O       3.36091997       9.08287005       3.33915999       0.15178548       0.41554539      -0.34635673 
O       7.46182999       5.68550001       1.02354995      -0.30233907      -0.77313311      -2.06153475 
O      10.30469995       4.81948995       0.65023899      -0.03891556       0.30358341      -0.25211557 
O       9.08903002       3.50586003       9.59208001       4.10381477       0.05335855      -3.79144972 
O       6.76022995       5.06088001       5.82594995       1.14013160       1.93557963       2.91987776 
O       5.60764003      11.06910994       6.06989004       2.03509875      -0.92852769      -0.35619225 
O       5.32770996       7.62795999       3.65504001       2.25577278      -1.16208524      -1.49552873 
O       5.47585995       7.04018995       0.73973200      -0.20197150       1.05643883      -1.31749278 
O       5.71932000       3.22446996       3.44094996      -0.71190732       0.55530455      -1.67428015 
O      10.94891132       5.12207995       3.52985001       1.97552473      -1.18814628       0.14042122 
O       0.33606196       8.14009005       6.42029004      -0.90152553      -0.04138942       1.45367010 
O       9.58205000       3.62533004       6.64698004       0.25779785      -5.96723601      -3.51559372 
O       2.49068999       1.64641999       9.60124005       2.83775507       1.05735366       0.81985191 
O       5.65905998      10.69329829       0.68111104      -3.27549801       1.57166702       0.28402126 
O       9.19959999       6.90563000       8.77360000      -0.43046048       1.41405513       0.40830066 
O       5.17031004       7.03746995       6.04367996       5.38306575      -2.54951841       2.30538008 
O       0.07397943       5.34915002       6.11235003       1.86919281      -1.10307325       1.14684030 
O       3.37989003       5.62691996       1.43563997       0.42697598      -2.01556480       0.65088725 
O       1.46553995       3.36368997       1.38628004       1.27253357       0.09367493      -1.47002935 
O       5.46764994       4.24563002       0.31658797       0.51854103      -3.02051259      -1.61642120 
O       8.61116996      11.04914019       6.61681001       2.50830140      -0.64118609      -1.87762557 
O       1.75373003      10.56589999       4.60353000      -0.92282095       0.64482839      -1.44989514 
O       0.02965782       1.76639000       9.02831995      -0.78833031       2.49179435      -0.18980438 
O      10.89439996       1.64288999       0.97984197       1.44451552      -0.09692212      -0.95311177 
O       0.27493564       9.45496999       1.20635998      -2.20688159      -0.05811674      -2.06067804 
O       3.38502005       4.49409004       6.79058004       1.24618797       3.20267820       2.45358314 
O       9.35029004       3.45303995       3.84357996      -2.94366880      -1.11813530       0.83159067 
O       0.17303567       1.66082999       3.66471998      -0.74098533      -1.88742878      -1.08021811 
O       3.21964005       0.67851095       6.80943995       2.46641525       0.29697550      -0.62044911 
O       0.04003561       8.83124002       9.45057997      -1.28898634      -1.01903136      -1.46670194 
O       3.84765003       1.63601005       3.70405005      -0.16397973      -2.27482122      -0.17492857 
O       2.97699000       7.05216998       6.64296997      -5.36818886      -0.10562593       3.89432202 
O       2.15606996       4.09131995       9.09140003      -3.35061394       0.89371758      -0.20271497 
O       4.06871002       9.20725001       5.92132002      -0.83373273       0.16322366       0.98616511 
O       3.70087002       9.04994997       8.75258001      -0.17848261      -2.59928824      -0.24736945 
O       7.03502002       8.96528001       1.39123995       4.19155893      -1.38352630      -1.76908538 
O       5.07757996       2.68790999       5.90324001      -0.46074000       1.81170757      -1.75004871 
O       4.17243996       5.79152001       8.70320998       0.12187639      -1.14258344       0.95656051 
O       1.93369996       3.07151002       3.81986995      -1.22271471       2.31077610      -0.91428875 
O      10.65990005       8.67293997       3.64607002       1.05425418       1.36351115      -0.25081763 
O       7.03435005       4.90748004       8.88327997       2.47391436      -0.78115606       0.29158733 
O       1.40983002      10.75440000       8.89422999       2.07931795      -2.51533083       2.25504792 
O       0.54843201      10.54260003       6.87265996       0.58109039      -2.13274552       1.21375402 
O       0.88691497       6.84691003       1.67629998       0.38604466       1.91284235      -1.84069220 
O      11.03540005       5.13208001       8.70899002      -1.16779185      -0.42513950       0.58124744 
O       8.83585995       6.64405002       3.46430997       0.90223187      -0.92674150      -0.16252577 
O       2.12404003      10.81649996       0.92574800      -2.68923399       2.68784405       1.91811714 
O       1.54090000       6.98518003       4.20148996       2.83445958       0.43153736      -0.35027396 
O       1.74754001       6.82227003       9.19699002       0.46074122       1.40999024      -1.11434988 
O       9.40508000      10.99689994       3.65025004      -1.93569050      -1.93826201       2.03107581 
O       7.78876995       8.67004003       3.94586996       0.50727021       3.76166874       0.25513930 
108
Lattice="11.08441884 0.0 0.0 0.0 11.08441884 0.0 0.0 0.0 10.75358597" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.02726470469166392 -0.009160593981624526 -0.008312542878918035 -0.009160593981624526 0.005189235076872244 -0.01159193802286695 -0.008312542878918035 -0.01159193802286695 -0.010031400434475746" pbc="T T T" energy=-1048.41059212 free_energy=-1048.41059212 config_type=crystal 
Hf       1.84001996       1.29250996       2.11648003      -2.63525896       3.72242983       2.90728875 
Hf      10.91220000       6.84063004      10.65969996      -1.62940679       1.38399729      -3.12816981 
Hf       1.99068004       8.96913995       7.59223999      -6.47759821       0.24776300      -2.52027045 
Hf       7.28743000       3.48796001      10.56599999      -2.37257108      -0.47706918      -4.27971715 
Hf       9.02692004       5.46574001       2.01889995       2.53995922      -0.74500360       0.93217102 
Hf       3.40554004       7.02525999       5.02243996       2.12791315      -2.81122696      -2.92875227 
Hf       3.45955996      10.51170000       0.07517714       3.86931730       2.28547319      -3.76650555 
Hf       7.70663994      10.72080002       4.81763996       0.16545957       0.06764604       1.75685442 
Hf       5.38943997       1.57376002       2.15381003       0.13790534       1.00992607       1.31823737 
Hf       5.22423003       1.62857004       7.42299995       5.57873497      -2.43594745      -1.06704326 
Hf       2.05657004       8.38339005       1.86961996      -1.46108908       1.50387507       3.26517050 
Hf       3.94119004      10.62410000       4.80708004      -0.41817982       2.44474847       2.55463572 
Hf       3.52555005       3.37193996      10.70661915      -0.33149592       1.84329738      -2.93721633 
Hf       7.13339005      10.64089998      10.12669998       0.77971572       0.50397700       0.23861165 
Hf       9.23335005       1.66802004       2.33908002       1.42282707      -1.28271597       1.65874184 
Hf       5.70023998       5.27212004       7.89713996      -1.63591525       2.92734002       0.59096327 
Hf       3.54489003       3.55514002       5.13431005       0.81287241      -1.56198133      -2.67632965 
Hf       0.46550502      10.91990002       5.14012000      -5.75603811       0.78808760       1.78560715 
Hf       9.30137003       1.49405995       7.77267000      -3.66666718      -2.57136515      -1.11266670 
Hf       5.45725001       9.00179000       2.14353003       1.63287346      -5.58662286      -0.66036395 
Hf       3.45963999       6.89943998       9.88151004       1.39458130      -1.64883876       1.02371953 
Hf       5.73409002       5.34336004       2.16878999      -0.43189735       7.32073564       2.58939659 
Hf       9.03144004       4.94468997       7.45771005       2.27016357       4.48882491       0.91362664 
Hf       0.04125066       7.16834000       4.72409000      -2.93254096      -0.09544849       0.52300004 
Hf       5.56495997       8.79212001       7.50462999       2.61975354       0.80119529       1.12639289 
Hf       7.27647005       3.37238001       5.24868003      -1.25921648      -0.31342101      -3.39302830 
Hf       7.34349997       7.06105003       4.69446000       0.82203637       0.35584810       0.68853042 
Hf       0.00075485      10.68869999      10.37659998      -4.27236902      -1.25077934       0.16553845 
Hf      10.96300001       3.10547995       4.97298002       0.28022841      -0.12412354      -0.92042538 
Hf      10.59189998       3.14946004      10.22949996      -0.06870241       2.18105599       0.97782159 
Hf       1.41755994       5.15314000       7.58875002       0.87290678      -0.52314673       2.45934450 
Hf       9.18716005       8.92123997       7.66100003       0.06983552      -1.04323163       1.34993305 
Hf       1.95710999       1.71907997       7.97894002       1.41969596       0.66840973      -0.47582131 
Hf       7.21655999       7.16478999      10.32140000       0.28555310       0.22508903      -0.58579582 
Hf       9.45084995       9.26889002       2.37274003      -2.02997468      -0.44078130      -0.87372711 
Hf       1.89934000       5.12785999       2.50127001       0.47017587      -1.80450959       0.53931035 
O       7.22071000       9.12107996       8.87983996      -0.17218955      -2.69436890      -4.93064667 
O       9.20654005       7.36821003       1.51855001       0.64240976       0.21977971      -3.11686445 
O       6.45080998       1.56033003       5.56172004       1.95515563      -1.13393054      -0.67317058 
O       5.50349997       7.19517005       9.18972003      -0.76342901       0.48528305      -0.81179371 
O       9.67549998       7.13259995       6.72752995       0.71422901       1.09342356      -0.46287940 
O       5.69718001       4.17148004       9.63945005      -0.20947708      -1.23875017      -0.39674414 
O       8.62717998       3.10440997       1.11398999       2.10648447       0.05414558       1.80389712 
O       7.48897000       5.54778001       3.24075003      -2.02599720      -2.03673583      -0.06395232 
O       9.14038004      10.78760005       9.54255002       0.33202516       1.46720342      -1.89706159 
O       3.82030004       8.69075001       0.60647203      -2.18780426      -1.38955540       0.16901535 
O       6.49680999       1.37873001      10.59949999       0.14730506       3.70377447       2.46664270 
O       7.29536999       1.16740002       2.93648000      -0.95161759       0.00454049      -0.30666950 
O       7.13318000       0.68163002       7.81318005       0.65017823       1.30930101       2.35039624 
O       3.39016995       1.63734003       0.95664202       1.70023410      -3.04546146      -2.52851702 
O       7.63476004       8.84786001       5.78971004      -0.05184111       1.22994735       4.32640255 
O       9.02487995      11.00969999       1.25460001      -0.32098069      -2.92044204       1.35185040 
O       5.36469999      10.37139996       3.58005997       1.58879558       2.01079477       1.74070578 
O       5.11744995      10.44150005       9.55979996      -0.92609483      -0.34531388      -0.39358727 
O       2.18573999       3.43628002       6.72080003      -0.74894260      -0.69292732       1.55083245 
O      10.87409997       1.64525996       6.36401003       0.76001980      -0.01724378      -0.30532199 
O       3.84840004       5.63490997       3.05150003      -0.39017314      -0.15065869       0.42881721 
O       3.59569003       8.63843000       3.04268005      -0.37271806       0.30637542       1.52160678 
O       7.48494004       5.40783002       0.64993899      -0.95326049      -1.40164037      -0.40180977 
O      10.03760001       5.00310995       0.09091479       0.11901311       0.72001147       1.20341016 
O       8.76848005       3.16238004       9.01129997       0.76747325      -0.73550809       3.07085403 
O       7.99933999       5.31026995       5.75825999      -1.76666395       0.70009533      -0.00628822 
O       5.30656000      10.54699999       6.38476004      -0.85767064      -1.53476134       0.84885743 
O       5.84903001       7.36655002       3.46612003      -1.36481817      -0.08743565       1.78972992 
O       5.72183996       7.08389003       1.07007998      -0.37101002      -0.01381219      -0.34085472 
O       5.62510003       3.42147002       4.13550000      -1.37769153       0.54256752      -0.35132659 
O      11.07838215       5.40031999       2.36488002       0.65187914      -0.25933815      -0.85801753 
O       0.51949401       9.13648996       5.64684005       0.55697772      -3.77012979       2.72417898 
O       8.51734004       3.30172005       6.73834999       2.90596389      -5.58230245       0.52675045 
O       3.93797002       1.82111005       8.86819996      -3.16039614       0.65924954       0.78663152 
O       5.00487005      10.74689995       1.32728995       0.37266503       2.60294010       0.00530090 
O       9.30844000       7.62698997       9.35027999       0.31812756      -0.93336518       1.33158098 
O       6.01347003       7.03458997       6.43317000      -1.32837292       1.47242352       1.36635707 
O      10.86200000       4.82364002       5.68230000      -0.26428441       3.76337318       3.09723631 
O       4.12499996       5.18944003       0.06821645      -2.23878318       2.97896661       1.12444329 
O       1.87579004       3.65193005       1.19425003       0.12559258      -1.37128303      -0.62164208 
O       5.22079996       3.69126000       1.66775999      -0.07544867      -8.36903201      -3.26320137 
O       9.16064003      10.85269995       6.41878998       0.11773089      -0.35458217       0.78180492 
O       2.04662000       0.30823596       4.43257996       3.20044261       0.31632209      -3.80889168 
O      11.00449996       1.68765996       8.91524002       1.41646522      -0.44240615      -0.65357348 
O      10.65589997       1.43540996       0.80913196       2.97495888       1.74497636      -1.28820484 
O       0.05816427       8.80015001       0.52862005       0.87996338       0.37119531       1.25829748 
O       4.40329004       5.26674000       5.61699003      -1.35790184       0.76733714       0.94151303 
O       9.23604001       3.05318998       3.93686997      -3.11428585       0.50930373       1.35256646 
O       0.23684898       2.34007001       3.23118998       1.61606286      -3.23042780      -2.76002883 
O       3.72518997       1.56740001       6.10357001       0.35307875       0.91358096      -0.82907975 
O       0.00289813       9.43749001       8.78697995       1.81940602       0.74320318      -3.19620671 
O       3.29120005       2.10327003       3.13685996       2.72081408      -0.23655921       2.49401023 
O       1.90804005       6.56432995       6.28922002       0.01178139       2.72234074      -1.32095519 
O       2.03793004       3.84351004       9.32109003      -0.06937975      -1.94425653       0.00087008 
O       3.41003001       8.95518999       5.67006005      -0.67414990      -2.21551861       2.42350924 
O       3.33091996       8.83319998       8.80413999       2.21277263      -0.22192307       0.65098825 
O       7.35193001       8.80708996       0.56175099      -0.92690824       4.18693937       1.59080041 
O       6.07864996       3.52695999       7.32092003      -0.78894296      -2.63109361      -2.78186023 
O       3.62739003       5.80931997       8.26335000      -0.73937277      -0.43243118      -0.99113101 
O       1.73093996       4.04136004       4.40606000       1.50392120       0.62809824      -1.90348416 
O      11.07410124       8.87864997       3.38022995       1.31227005      -1.37685777      -0.81119823 
O       7.60603000       5.58289999       8.69494001      -0.21731840       0.33950341      -0.62430857 
O       1.80409003       0.17537102       9.96225001       1.15801339       0.93010324      -1.37816301 
O       1.92004004       0.03581985       6.82715999      -0.60695115      -1.68882106       2.79577956 
O       2.03573000       6.76230998       0.81806195      -1.51924996      -1.35013788      -1.07747718 
O      10.93310001       4.73445002       8.73774004      -1.43588254      -0.38404125      -2.64503968 
O       9.55911003       6.57936996       3.57753997       0.72749167       2.51716436       5.78047610 
O       1.64500003      10.42840004       1.86088999       1.38765225      -0.13733887      -1.80844393 
O       1.77626005       6.82685000       3.71870004      -0.19018468       2.07968301       0.25902725 
O       1.12782000       7.10275005       8.83257000       1.76597072      -0.52859291       0.90983652 
O       9.76126001      10.99739994       3.90853997      -1.66357139       0.43894034      -0.60619425 
O       7.66576005       8.94862003       3.69674003       2.39685220       2.31259001      -4.64945017 
108
Lattice="11.0820234 0.0 0.0 0.0 11.0820234 0.0 0.0 0.0 10.75126202" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.025350361291453443 -0.008896209746765018 0.004880763736332259 -0.008896209746765018 0.00503295459771073 -0.01692619137486793 0.004880763736332259 -0.01692619137486793 0.03817829846340996" pbc="T T T" energy=-1042.26458742 free_energy=-1042.26458742 config_type=crystal 
Hf       1.51339004       1.04995999       2.27852001      -1.97903734       3.07581298      -1.39293052 
Hf       0.22176802       6.87080996      10.60580003       0.77323085       2.06829642       1.06584292 
Hf       2.08873002       8.86294995       7.44379000       0.78044376       1.19386840      -0.33925489 
Hf       7.05640005       3.32585995      10.09600002      -0.68159213      -1.08244125       2.64629773 
Hf       9.46911003       5.40217999       2.49364997      -3.21037416      -2.90253027      -0.00068189 
Hf       3.88394999       7.07969003       4.87920998      -2.03883968      -0.16813095      -3.45351536 
Hf       3.61170002      10.73890002       9.71714995       1.40200270       1.99540450       1.15926681 
Hf       7.29254002       0.09033522       5.00850003       0.93386779      -3.90707807      -0.55466138 
Hf       5.17132005       1.14139998       2.15321997       2.40594387       1.03225662      -4.47987007 
Hf       5.10776000       1.44245002       7.52128005       0.89751600       1.06481775       0.24568460 
Hf       1.83567002       8.81894002       2.07828002       0.57587835      -3.23252657      -0.74886588 
Hf       3.91120999      10.41279995       4.58513995      -1.30033315       0.38679481       1.17443422 
Hf       3.28468004       3.36813000      10.02880000      -0.37582979       1.68661866       4.27234630 
Hf       7.22257998      10.38739996      10.64529995       2.47892153      -0.26055230       0.96306238 
Hf       8.74299004       1.61122004       2.23783003       3.81377635       0.45602620      -4.41441023 
Hf       5.34209004       5.39922995       7.63496002      -0.09621995       1.02146665       0.85326327 
Hf       3.54757002       3.33734004       4.58648999      -0.95483902      -0.60711728       1.93508537 
Hf       0.07866463      10.58620004       4.90450996      -0.95134798      -2.59162198       1.23051521 
Hf       9.46209999       1.81373005       7.58018997      -0.61969222      -2.25344136       1.40466168 
Hf       5.93221998       8.55514996       2.33273003       2.36243169      -0.28945236       0.42415586 
Hf       3.70499005       7.17555995      10.27280000       1.94771280      -0.73398808      -0.28005523 
Hf       5.71992997       4.97724002       2.40034998      -1.30437703      -1.16954249      -2.34131517 
Hf       9.31702001       5.74082003       8.07776999       0.37698054      -0.78923908       0.14696910 
Hf      10.84809995       7.15619001       4.99627004       2.84155476       1.51054203       0.20606980 
Hf       5.41479000       9.25107997       7.54205998       2.15815602      -1.40766159       1.47495821 
Hf       7.12360000       3.67337004       5.44785003       0.10112928      -3.31712322      -2.29797938 
Hf       7.24285000       7.30990998       5.34743002       4.33020123       2.82450848      -0.11020294 
Hf      10.92369996      10.43640001      10.31640003      -1.52471584       0.99764252      -0.29031517 
Hf       0.01580984       3.32181003       4.99828999      -0.64009287      -1.20816038      -2.84930780 
Hf      10.63180002       3.35647005      10.27969995       2.40344137      -2.79709462       1.34895134 
Hf       1.77492003       5.16748002       7.56712999       3.14099909      -2.75270791       0.69663971 
Hf       9.31325002       9.18673996       7.58812000      -2.58424175       1.93305249      -1.28324156 
Hf       1.99018002       1.36312002       7.57482004      -2.44051259      -0.05994769      -0.79429714 
Hf       7.36692001       6.87829997      10.26659997      -2.02331445       3.37057261       5.82981808 
Hf       9.45183005       9.12212002       2.66127999      -2.98838923      -0.19037799      -0.42542953 
Hf       1.65664004       5.26578001       2.45197002       4.76723587      -0.01668124      -0.09753907 
O       7.60707998       8.32234003       8.94568002       0.44790616       1.09955649       0.31421249 
O       9.16233003       6.66929999       0.52203602       1.55698566      -1.39157338      -0.17943601 
O       6.69878005       1.46188002       6.36827998       2.58750794       2.98595970      -1.48308746 
O       5.33088002       6.97739996       8.78959998       1.32971286      -0.47970187       5.14875247 
O       8.77416997       7.27629998       6.91129999       0.88304076      -1.80572954      -0.73264651 
O       5.30086004       3.19087005       9.05192002       0.74508948      -0.30521411       0.35750747 
O       8.68106003       3.00491004       0.62541897       2.46045942       1.45049069      -0.60048928 
O       7.47621004       4.64189002       3.52622999       0.56673727       0.48378736       1.68343674 
O       9.10163002      10.78919999       9.08203000       1.05990509      -1.86201369       1.56127012 
O       3.20563995       9.13063999      10.50063806      -0.38762421      -2.82431282       4.90786739 
O       7.17019004       1.10194000       0.51750297      -0.99147895       1.00484879       0.85331773 
O       7.13930001       1.56047002       3.17967005      -3.22733869      -1.91127373       3.26569439 
O       7.81644999       2.01877995       8.87588004       0.23388098       0.62924645      -1.20345153 
O       3.77378005       1.19066002       0.54323203       0.60156721      -1.20485715       2.74864507 
O       7.64991998       9.42179999       6.17641995      -0.87880748      -0.74406713       0.96428311 
O       8.87839995      10.57300002       1.44981005       1.14644992       2.04993821      -1.49727015 
O       5.57142000      10.24799996       3.72078999       0.93696211       2.20466419       0.29250240 
O       5.96616998      10.71590005       9.03523997      -1.72401413      -0.08444256       0.08347260 
O       1.94946999       3.76482998       6.05516001       0.79748977       1.99585926      -0.59755420 
O       0.37248698       2.14371004       6.43920004      -0.17791812      -1.63899145       4.39444819 
O       3.54495000       5.17883001       3.83068003       1.45124445       1.42092310       0.59734499 
O       3.91357999       8.79934002       2.69442001      -1.52197045      -0.50463597       1.95060740 
O       7.04410000       5.17133003       1.05959998       1.65134892       0.58464862      -1.38431502 
O       0.03346705       4.93474999       1.21800005      -0.28830070       1.62498027       0.31505734 
O       9.36395005       3.86181996       8.09557999       1.45272342      -0.33518368       0.73666618 
O       7.32227996       5.17180999       6.57418998      -0.17106327       2.35985672       0.28250178 
O       5.63923001      10.61500000       6.17875996      -1.39896689       1.56403081      -2.56192442 
O       5.92456995       6.95194001       3.84395999      -1.85970893      -0.28850677       1.08072666 
O       5.33633005       6.88166003       1.17927002      -0.22664748       1.65086819      -1.07954412 
O       5.49948004       3.18936999       4.34029996      -0.35682848       0.87261685      -1.65069141 
O      10.93972745       5.28598996       3.81431995       1.62125812       1.02547710       1.61947301 
O       9.98104000       8.97780005       5.55543995       1.92392204      -2.30063595       2.03611072 
O       9.10608001       2.83950995       5.87925001      -1.05129408       1.28373555      -2.50474771 
O       3.42892997       1.68239001       9.13396000      -0.60158444      -2.02213325      -4.35302009 
O       5.63872002      10.16099998       1.25554001      -0.31554106       2.20054204      -1.85575207 
O      10.42959997       8.36053999       9.19293002       1.52620538       0.21581786      -1.05607488 
O       5.91456000       7.44693997       6.70410995      -0.65648045      -1.81940000      -2.43192849 
O       0.22214404       5.84984996       6.72369004      -2.90852672       0.15936976      -0.22551604 
O       3.43725003       4.82050996       1.35129000      -0.26276820      -1.58637232      -1.11440484 
O       1.37820997       2.79639002       0.33846198       0.19740132       0.23220875       0.28322033 
O       5.53907002       3.22508003       1.08627999       0.13306501      -1.39493044       1.55590576 
O       9.75121003      11.06911761       6.59133996      -0.14322039       1.03744756       0.42731877 
O       1.96776995      10.09999998       3.47477004       1.48834783       5.66554895       2.82652693 
O      10.88229996       1.57941995       9.02453999       0.03193283       0.35967417       1.33298509 
O      10.59950002       1.30276001       1.34283005       3.05449985      -0.93076506       0.41291340 
O      10.91000003       8.56144001       0.89671395       1.29298500       1.77126586       0.88768150 
O       3.50936995       5.94124995       6.28719998      -0.19896965      -0.70245204       3.75944681 
O       9.84546995       3.32757002       3.18319001      -1.07614360      -0.90579901      -0.19536326 
O       0.43996398       1.33200003       4.36860997       1.24417194       1.02080250      -3.89885018 
O       3.58402001       1.54808996       6.17362999      -1.05577265       0.82309829      -0.23617574 
O       1.67096998      10.61259997       8.98877001      -1.57453240      -0.18907851      -0.27835778 
O       3.79844996       1.32286003       3.55778000      -1.28052520      -1.12054600      -0.08112666 
O       1.42217003       8.01683004       5.78580004       1.49971383      -0.04180168       2.94646072 
O       1.57321003       3.31750001       8.72423005       1.01559681       2.43256152      -1.68659884 
O       3.99655997       8.79456998       6.06749999      -2.54661455       0.28923391      -2.97783752 
O       3.78386003       8.44895004       8.47479001      -0.89954269       1.57536369      -1.45427255 
O       7.79329000       8.60370995       1.25738998      -2.75916978      -1.63854946      -2.13901384 
O       5.03351997       3.74707004       6.70518002       0.18290697      -2.06709084      -1.80033069 
O       3.71996995       5.11368999       9.04837995      -1.63050014       0.24345815      -0.74895335 
O       1.95487004       3.33594005       3.24870003      -1.20432615      -1.27207358       0.33182401 
O       0.20747598       8.73486004       3.55597002      -2.17653108       1.20538498      -1.40591098 
O       7.53217004       5.36225002       9.21476003       0.89835879      -3.24219363      -2.47196690 
O       3.90032002      10.79639998       7.62480997      -1.77705966       0.21125814       2.13174903 
O       1.48288001      10.54969996       6.37948000       1.15856117       0.79911858       1.22966139 
O       2.32279997       6.85840995       1.11233998      -3.17388670       1.61625232      -0.41482489 
O      10.89020000       5.33024004       9.55706000      -1.06535531      -1.40507696      -3.10686481 
O       9.15490995       7.03416995       3.98407001      -1.81601232      -1.19785252      -2.38408107 
O       1.46396000      10.63879998       0.94489197      -0.51710256      -0.00585234       0.56989098 
O       1.73872005       7.12427999       3.61932001       1.41767351      -2.08862188      -0.71083712 
O       1.98757996       7.12202004       9.33841997      -3.96876117      -0.89708932      -2.37646842 
O       9.35007004      10.70759740       3.99644998       0.04956080       3.35544275      -0.91427956 
O       7.73749002       9.21149997       3.63238999      -3.55195855      -2.17678390       0.98033604 
108
Lattice="11.07951792 0.0 0.0 0.0 11.07951792 0.0 0.0 0.0 10.74883133" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004107407706844501 -0.0030996765247518466 0.002742951471733272 -0.0030996765247518466 0.004397048227106424 0.00040744287585100684 0.002742951471733272 0.00040744287585100684 0.030247874223630667" pbc="T T T" energy=-1040.50898967 free_energy=-1040.50898967 config_type=crystal 
Hf       1.72022999       1.13885002       1.91384995      -1.17212606       0.78840869       0.93459012 
Hf       0.38180296       6.88702003      10.64550002      -0.09276395      -2.91309433      -2.73498201 
Hf       2.03448002       8.66902000       7.61718996      -0.07162862       0.85412730      -1.00440573 
Hf       7.12379996       3.53267005       9.90964997      -1.51571388       2.80103422       0.92887584 
Hf       9.05303997       5.49220999       2.42832997       0.54047566      -2.51943103       2.89708745 
Hf       3.63245995       7.00011000       5.26300005       2.69122527       2.18388754       2.98813790 
Hf       3.59015004      10.58110005      10.14770004      -0.04779107      -0.32171573       0.07264435 
Hf       7.44436997       0.07552941       4.67007001      -3.61005459      -3.14190013      -1.16015900 
Hf       5.15335003       1.63014000       2.23292997      -0.48896788       0.82121687      -1.43928556 
Hf       5.75600002       1.27573004       7.39165002      -1.21195710      -0.40302207       1.86494789 
Hf       1.33131000       8.71851996       2.58697004      -1.99037584       1.76542524      -2.10272648 
Hf       3.68606997      10.94827195       5.00119001      -0.63774570      -0.90177684      -0.37074092 
Hf       3.34351997       3.31474004       9.97340999       5.98861087      -0.74598358       2.11190282 
Hf       7.17998996      10.97350001      10.11390001       0.59525942       1.50319703       0.81434683 
Hf       9.35629003       1.72393000       2.03784997      -0.27035272       0.73331040      -0.02942040 
Hf       5.63487995       4.81914002       7.20467002       2.45728257       6.77828117       0.77506320 
Hf       3.62479004       3.63326000       5.11479001      -2.16533261      -1.83265842      -1.47350638 
Hf      10.56939996      10.83150003       5.02056005       2.21383455      -0.14830164      -2.18611169 
Hf       9.63794002       1.73017996       7.98145001      -3.02159738       0.45460297      -0.75984560 
Hf       4.88235997       8.68124004       2.61433000       4.87998746       1.13514594      -0.02721679 
Hf       3.89600999       6.87466005      10.10240005      -1.48448964       0.28773224       0.56277331 
Hf       5.19529996       5.20810999       2.11394998       3.90949549       0.42029516      -1.45518759 
Hf       9.55537999       5.45697003       7.95205002      -1.68943517      -1.42090659       2.45909736 
Hf      10.61439998       7.45215001       5.00767005       1.67067510      -4.02820043      -1.85825858 
Hf       6.13951000       8.83130004       7.64767998      -2.77044874      -2.54849793      -1.00743307 
Hf       7.32137004       3.34787001       4.46764995       0.87185894       2.18887740       1.49117983 
Hf       7.11069998       6.98231995       4.72343000      -3.00778764      -1.29712889       3.86669617 
Hf       0.10741205      10.51819996      10.12980001      -1.50291473       0.30942717       4.36311909 
Hf      10.97790002       3.07125998       5.18791001      -2.00490693       3.04846667      -1.01584093 
Hf      11.00776242       3.52028005       0.00496865       1.34775054      -1.38241048      -4.65021935 
Hf       1.64343996       5.19478997       7.42282002      -0.26626761      -0.49788438       0.01603143 
Hf       9.58857999       8.98105002       7.78835005      -0.29640722       0.41056407      -0.38821829 
Hf       1.92063997       1.48318005       7.78999000       2.49651613       0.40287623       0.00658223 
Hf       7.54449003       6.98129997      10.58920001      -0.88942869       0.27485772      -3.12891025 
Hf       9.07026995       9.01118000       1.66912002      -1.16357845       1.34282611       2.47100357 
Hf       1.72485004       4.98702995       2.53736998      -1.27468716       0.17859186       2.42000265 
O       8.16126996       8.88516001       9.13976998      -2.83480523       0.05024674      -2.41200151 
O       9.31811001       6.85706002       1.06965995      -1.72259531       1.25134099       1.47543183 
O       6.93270997       1.59838001       5.75271003      -0.14394515       3.54369664      -1.59521385 
O       5.38034996       7.72552005       9.45958995       3.73494426       1.00554729      -2.41117930 
O      10.36689995       7.09798003       7.28358998      -0.51704722       1.75843621      -2.47372276 
O       5.45646004       4.09648999       5.35683004       2.71211693      -1.48359296       3.11938509 
O       9.63335997       3.81652996       1.28048001      -2.43953956      -1.51742648       0.18383305 
O       7.20999994       5.21491004       3.34073001       0.79380751      -2.46594298      -0.18433334 
O       9.52295999      11.05691460       9.09716000       1.22674377      -0.80565920       0.02921296 
O       3.91618003       9.24271998       0.83444897       2.16761205       0.06900794       3.74363038 
O       8.12166002       2.10183995      10.59515733       1.27008169      -2.48460986       2.90735742 
O       7.27252997       2.06267994       3.01258001      -0.89582510      -2.01390087      -1.44913097 
O       7.47436001       1.14579001       8.47650001      -1.05756532      -0.74506665      -1.06219232 
O       3.39576998       1.66128995       0.90849499       1.84529353      -2.50361371      -0.11266256 
O       7.50978001       8.26346001       6.24563005       2.16269448       1.74628976       1.33491460 
O       9.34756003       0.01318208       1.17427005      -1.74595969      -5.33296696      -1.09928399 
O       5.33626999       0.00924264       3.48346997       1.68693835      -0.18232295      -0.16930850 
O       5.34086001      10.30410002       8.92291005       2.18930803       0.09283126       0.13417786 
O       1.66766998       3.35869005       6.08063001       2.47671266      -0.65264058      -0.87346967 
O       0.35369799       1.23458005       6.73388002      -4.09219820      -1.43030533      -5.54511151 
O       2.85881001       5.36860002       4.32258996      -0.13901492      -1.19662278      -1.73487832 
O       4.38374998       8.98035999       4.76658000      -1.26311521      -0.45033458      -2.78766151 
O       6.90178005       5.36047995       0.68299396       1.93889282      -2.29662049       0.69340100 
O       0.40348203       5.09474004       1.15236995      -1.24291581       2.98943993      -1.35400557 
O       9.23924999       3.68325998       9.02721004      -0.61924472      -1.20986213      -0.58995650 
O       7.47798999       5.44226995       6.01609005       1.32782035      -1.41394752       0.72233613 
O       5.96077000      10.73399994       6.28490004      -1.10343216      -3.71301991       0.53059231 
O       5.34369005       6.80605003       3.83449004      -3.29726358       0.18550793      -3.45421949 
O       5.43812998       7.02392996       1.13586996      -1.96530621       1.89576191       1.34723448 
O       5.31669004       3.39249000       0.29828899      -0.31105018       0.72726440       1.08377887 
O      10.32280003       5.44139001       4.10118005      -0.79995263       0.05469953      -1.38213915 
O      10.85899995       8.58630996       0.72758302       0.19781692       3.18896868       0.24933586 
O       9.04717004       2.85741000       6.18212004       2.37588934      -0.45188057       0.18249685 
O       3.93824999       1.17508004       8.64957995      -1.53002209       1.73762888       1.30067946 
O       5.73331005       1.04546996       0.17462401       0.88979978      -3.57158097       1.37148946 
O       9.66915999       6.88655004       9.68605998      -1.89176082      -0.87974165      -3.00291886 
O       5.47342001       6.95506999       6.23514005       0.76678996      -0.32193723       1.20594903 
O      11.03935843       4.89874004       6.33336996      -1.53409107      -0.08767048       1.77497604 
O       3.34799000       5.14148996       1.58634004       1.72035792       0.07639597      -1.16832644 
O       2.00168997       3.31848004       0.53616804      -3.54054536       1.13981845      -0.18411431 
O       6.05494003       3.24952998       8.18202997       0.23506237      -2.79814331      -0.29545142 
O       9.13244997      10.58509997       6.48408997      -1.48563775       2.07413580      -1.11514048 
O       2.27156996      10.33250004       6.42245004       0.54946981       1.39989265       1.44200340 
O       0.22448599       2.15533995       8.76484999       1.26797219       0.75900359       2.63787325 
O       0.13346498       1.26031001       0.48588899       0.36818246       3.69279336       1.04817489 
O      10.29210002       9.23172002       3.36400004       1.46474731      -1.69906034       0.77939178 
O       3.79286998       5.22366995       6.49989000      -3.51482493      -1.02290079       1.55782589 
O       9.51971004       3.00619995       3.54351004      -0.12084271       0.74325875       2.84260574 
O       0.18699401       0.56713703       3.12749996       0.50644069       1.96812192       1.17666193 
O       3.80536003       1.67573997       6.20439001       0.50919998       0.38549122      -0.43161124 
O       1.69061998      10.38740005       1.03358999      -0.06051106      -0.03871314       0.20991497 
O       3.55907000       1.29792996       3.56063003      -2.94824023       1.94813032      -0.80843257 
O       1.72872001       7.41155997       5.99166999      -1.31152234      -1.78144661       0.61360866 
O       2.20313998       3.55727999       8.43309999       1.24805781      -1.20453445      -0.32744705 
O       3.77497002       8.12248998       7.17607995       1.90451412       0.53194690       0.28935831 
O       2.82604001       8.70448000       9.52052002       0.72576851       0.98399129      -0.08908793 
O       7.34327003       9.15001999       0.58289902       0.77507885      -0.59559723       0.36445287 
O       5.26223997       3.67320997       3.36018002      -1.78666701      -3.73677699      -2.41604403 
O       4.65747002       5.03386994       9.21564995      -2.80097751       1.12444118       0.45020141 
O       1.25255003       3.08870003       3.17775999       0.43266616       0.95838705       0.57540590 
O      10.81650003       9.11448997       5.93383999       0.86335347       0.17341838       0.76171968 
O       7.33846994       5.55868001       8.93220005       1.26273508       0.50933510      -0.83698155 
O       1.69545996      11.03059996       9.25227004       2.91034415       2.21688690      -1.72730009 
O       0.30317395       9.08881994       8.75958005      -1.66820024      -1.13704180      -0.29681485 
O       1.91676003       7.09188995       1.05661001       1.71827410       1.89759844       1.70185693 
O       0.23344999       4.99835001       9.18966003      -0.97007913      -0.00288721      -0.41977257 
O       8.46776997       7.16166001       3.47350000       4.48969261       2.84434079      -1.41563302 
O       1.85998005      10.00189996       3.96370002       1.57750487      -0.38822164      -0.77740597 
O       0.99780299       7.03542995       3.59500995       0.53927914       1.05912455      -0.75421158 
O       2.03784997       6.42392000       8.95645005       0.91691272       1.53954965       0.45594702 
O       9.10447995       0.36961704       3.74351000      -1.27873015      -0.11241323       1.74602585 
O       6.97478998       9.38798997       3.18433999      -0.13166082      -1.17396629       0.46231022 
108
Lattice="11.07694713 0.0 0.0 0.0 11.07694713 0.0 0.0 0.0 10.74633726" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.000984407523817489 0.004724064426942361 0.001671080201297118 0.004724064426942361 -0.006028136214581319 -0.009189885259122114 0.001671080201297118 -0.009189885259122114 0.01396498544513027" pbc="T T T" energy=-1046.79643078 free_energy=-1046.79643078 config_type=crystal 
Hf       1.89774999       1.59647996       1.82857998       0.68429546      -2.39844538      -1.22649081 
Hf      10.96920000       6.84163995      10.21890004       0.29589614      -0.80412801       0.56379343 
Hf       1.41306997       8.79837003       7.34082997       0.94924259       0.63000242       1.30035310 
Hf       7.40823001       3.38851999       9.97241001       1.07219610      -0.83805075      -0.31982448 
Hf       9.73247004       4.77668998       2.16523995      -2.30741630       4.53263370       0.88154493 
Hf       3.59714996       7.05953004       5.48160003      -1.53676275      -3.34883846      -4.01253328 
Hf       3.98766995      10.23119995      10.05359999      -0.54521894       3.37507809       2.59596219 
Hf       6.98702001       0.28200999       4.89316005      -0.40090242      -3.21810620      -3.12878301 
Hf       5.66306995       1.81041004       1.73804005      -3.55420962      -2.83643903       1.69078256 
Hf       5.93302002       1.55164003       7.46077005      -1.02659428      -1.53121123       0.05198431 
Hf       1.63195997       8.81772002       2.02008004       1.00531062       4.98503831      -2.97103083 
Hf       3.21717003      10.80460000       4.79545005       2.63027100       1.50951517       0.55487218 
Hf       3.66796001       2.68757997       9.90033003      -0.98531727       3.98562101       0.03895400 
Hf       7.64715998      10.55320005      10.47159995       0.76646601       2.52092520       1.73905975 
Hf       8.98041999       1.53267996       2.46601005       1.52778405      -1.72478549      -0.76063149 
Hf       5.52153005       5.16792000       7.79374005      -1.68084554       0.60623668       0.82303035 
Hf       3.63248997       3.19470996       4.42800001      -1.41183515      -2.72002999      -0.30100531 
Hf      10.73439996       0.08695027       5.14852000       2.42585581      -2.14972574      -3.25047239 
Hf       9.54846002       1.48450000       7.81095998       1.73468106       3.56585954       1.16202955 
Hf       5.23424998       9.11346997       2.54882003       1.18499705       4.06933245      -5.51136286 
Hf       3.72811005       7.09163003       9.89858999      -1.81776836       0.04072860       3.91323756 
Hf       5.51207000       5.33276004       2.32589995      -1.41083694       0.83293293      -1.69404608 
Hf       8.67520003       5.27133006       7.20526997       7.29880884       1.67170581       3.71232521 
Hf      10.86100005       7.03861997       4.83184005       1.58119535       2.14155616      -3.28833203 
Hf       5.35038999       8.91905005       7.35163004       1.25433633       2.08472287      -1.13604680 
Hf       7.00637000       3.57926003       5.11209002       0.19866819      -3.67931568      -4.63087556 
Hf       7.35946995       7.34799002       4.47766001      -1.45903602       0.96652227      -0.54055514 
Hf       0.29113596      10.65099997      10.24190000      -1.21990028      -0.29007284       0.80039275 
Hf       0.11125287       3.57491997       5.00170998      -2.08292564      -1.33153226       1.15122893 
Hf      10.92088613       3.02962003      10.57289997       1.20296652       1.68009421      -1.93172258 
Hf       1.82991997       5.16664006       7.81651003      -2.67603475      -2.41554248       2.50474015 
Hf       8.94261005       8.80748005       7.59296999       1.22240120       1.03416178      -0.32702814 
Hf       1.88718004       1.19479995       7.71745997       0.03899723       1.75046865      -2.06812340 
Hf       7.20642996       7.39094997      10.68296901       1.58907972      -4.16753810       1.56499428 
Hf       9.11330005       8.77647002       2.16987001       4.26771826       3.26080626      -1.74609790 
Hf       1.99382999       5.36220001       2.48656005      -0.40684015       0.65160423      -2.06187255 
O       7.76214999       8.71534998       9.46058003       1.72701104       2.22650214      -4.46921407 
O       9.00988002       3.30094996       1.25950995      -0.25398875      -1.68598673      -2.20093772 
O       9.63871000      10.89229996       6.97689999      -0.07219094      -4.28144149      -1.44855942 
O       5.28406002       7.26669996       8.49305999      -0.85330609      -1.67670356       0.39145314 
O      10.72149997       5.73179000       6.15199997      -1.21939875      -2.62127142       1.30493583 
O       5.19397996       2.74239003       5.72707002       2.19511723       2.19463465       0.75774286 
O       7.55637000       1.67222999       6.24146999      -0.17369872       0.63385942      -1.09702519 
O       6.68560996       5.40223000       4.30742997       0.77321514      -0.51944925       0.34744806 
O       9.53366997      11.04943089       9.49973001      -2.31450005      -0.58257540       0.26957619 
O       5.47826006      10.86829998       3.41030005      -1.08076173       1.50721983       1.68182052 
O       7.33647997       1.24281995       0.94653395       2.30651501       0.76562625      -1.29294179 
O       6.75171995       1.93306995       3.43989998       4.18951312      -0.33803507       2.63541496 
O       3.96333999       1.21942001       8.67819004       1.02813936      -0.64634895      -1.80158346 
O       3.86908004       1.62258998       0.69879702      -0.34223657      -1.15668029      -0.57086946 
O       7.35549000       9.92384004       6.55640000       0.22064283      -3.70744464       1.31573818 
O       9.23335001      10.86059995       1.35534998      -1.95407481      -0.96783738       0.74009854 
O       5.33860002       0.04265289       6.02505005      -0.83673470       0.56067763       2.19943797 
O       5.41500005      10.74140004       0.82450703       0.41129465      -0.12980200      -1.05866285 
O       2.01968004       3.83746998       5.36223004      -2.81601041       0.48754014       0.66592334 
O       0.17973200       1.47022004       6.33709004       1.55262448       2.17754707       2.20902986 
O       3.37072000       5.33360997       4.03234996       0.73696925       2.14469210      -0.65095728 
O       3.58048005       8.90278998       3.39702005      -3.21070638      -0.68778254       2.01700119 
O       7.10440995       5.46387996       1.20283001      -0.17271824      -0.94635812      -0.43607635 
O       0.05814866       5.22227004       3.45762004       1.06596711      -0.26214182       2.86512299 
O       9.38033999       3.15383005       9.33273999      -3.39818615       0.53273818       0.49656465 
O       7.23657997       3.97728997       7.00370995      -2.53262743       1.40024402      -0.06727294 
O       5.70270005      10.18060001       8.93109004      -0.15991391       0.02029129      -0.90677112 
O       5.82270005       7.32112001       2.83164998       1.42888990      -3.38330854       2.82331652 
O       5.38118003       7.47106000       0.36074799      -1.24393342      -1.63837577      -1.14053907 
O       5.85828995       3.28711995       0.41809796      -0.74076998       0.61796845      -0.50974809 
O       9.24939995       7.24089998       3.44998004      -2.26930845      -1.87897121       3.28704666 
O      10.72090004       8.77263995       0.62051200       0.25175527       0.41445870      -0.73042698 
O       9.80313000       3.44460002       6.68516004      -1.19126131       0.95234661      -0.45651022 
O       1.86471998       3.18187001       8.14889005       3.20826080       0.74309376      -0.63608145 
O       7.40301996       9.11928005       1.09489003      -0.61675756      -1.12486977      -0.20755511 
O       9.48466002       6.67821001       8.69961996       0.35075593       1.13675726      -0.79889361 
O       5.45553005       7.05978004       6.06338997       2.19693523      -0.01519326      -0.03545964 
O       0.16547896       4.69703000       9.22609000       1.31921522       1.85894064      -0.45525656 
O       3.61580997       5.52518001       1.37501997       1.53469169      -0.01696193       0.05635519 
O       0.28348300       4.94141005       0.94788003      -1.58224321      -0.15059749       0.49612371 
O       5.51045997       3.17303005       8.67802003       0.73893445       2.18789211      -0.53750858 
O      10.43729996       8.53601996       6.02989997      -0.32965156       1.45605340       1.69638049 
O       3.03625003       1.60929997       5.72098995      -0.20320548      -1.57848261      -0.02341218 
O       0.27408300       1.66232000       8.91400003      -1.17166165      -1.99468225       0.96661004 
O      10.90614216       1.40971997       1.07351998      -0.15211423       1.42464854       0.53074184 
O      10.76529999       9.59389998       3.17391996      -2.08866465      -0.73580611       0.03609785 
O       3.43070997       5.37049997       6.56110002       2.74529006       0.91129584       2.60628813 
O       9.24355996       3.53302995       3.84043005      -2.43060259       1.69571184      -0.45321030 
O      10.84709018       1.89730005       4.03374000       1.52349454      -1.13740698      -1.90261824 
O       7.71909999       1.49613002       8.68414996      -4.59758499       0.49745852       1.33563529 
O       1.61313005      10.75359997       0.96587402       0.98520373      -0.85043349       1.25686291 
O       3.55447004       1.67947997       2.94136998       0.35751266      -1.45947846       3.52623288 
O       1.59978997       7.22129999       6.15036996       1.19502457      -0.32689739      -0.54541436 
O       1.83647996       2.73035005       0.11569904       0.44008214       0.06369455      -1.01236525 
O       3.76455000       8.89597998       6.05963004      -0.11775018       2.00911512       1.34121278 
O       3.12023998       8.88505003       8.80888001       1.66013871      -2.23502682      -1.57713767 
O       8.95102997       6.96630999       0.92538505       2.05367010      -0.36698841       0.10557390 
O       5.13787998       3.48520002       3.00207002       0.43424408       2.16261943       0.33782175 
O       3.53838997       4.96078995       9.50156000       1.25681496       1.46942155      -2.32784484 
O       1.79760996       3.32441005       2.57831002      -0.24432930       4.42277149       2.13666005 
O       1.81384001      10.55220002       6.41214999      -0.72365165      -1.53810545       1.56365150 
O       7.24784999       5.59756996       8.81874998      -1.39235470      -1.78142256       1.02956744 
O       2.13947999      10.98119999       9.29050000      -1.73509602      -0.13628583      -0.29287725 
O       0.09735285       9.02614995       8.73389002      -1.44764645       0.35298152       0.06984213 
O       3.71227999       8.88070997       0.73150801      -1.93077772       0.14277577      -0.27640322 
O       1.61793999       7.27500003       0.78046499       0.67225852      -1.47006783      -0.83782581 
O       8.10268004       7.05777999       6.47872999      -0.18724194       0.80552768      -1.70404869 
O       1.59119005      10.72000004       3.96897999      -1.17693805       0.90334748      -1.18151613 
O       0.97062403       7.56832003       3.09354005      -0.53753137      -6.23625143       6.02342734 
O       1.56367004       6.87977002       9.10638000       1.77445633      -0.47211471      -2.88241637 
O       9.06492004       0.41440499       4.26145005      -4.14606201      -0.36649516      -0.88642042 
O       7.05720000       9.25081004       3.65893999       2.90483087      -2.21815553       2.14715443 
108
Lattice="11.07425187 0.0 0.0 0.0 11.07425187 0.0 0.0 0.0 10.74372244" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006992546192819843 -0.007475083960481169 -0.008699268263595425 -0.007475083960481169 0.0073661404846283975 -0.0077144282468860756 -0.008699268263595425 -0.0077144282468860756 0.04139391452790322" pbc="T T T" energy=-1046.20318046 free_energy=-1046.20318046 config_type=crystal 
Hf       1.84097998       1.42591004       1.86638002      -0.61454530       1.14586588       2.31649294 
Hf       0.15725803       7.23460996      10.11180000      -1.28844147      -0.50681413      -0.02808600 
Hf       1.87364005       8.81555997       7.55874001      -0.03875279       1.87817975      -0.27654181 
Hf       7.14322003       3.49103996      10.12300001       2.88500790       0.54593791       1.91789646 
Hf       8.69350998       4.99604995       2.16457998       0.28786127       0.62161839      -0.57404931 
Hf       3.30655001       6.71216995       5.00495998       3.27621179       0.85682648       2.79206276 
Hf       3.77164002      10.91280002      10.15009997       0.61292230       0.65019888       1.17208521 
Hf       7.18279996      10.70219998       4.51577004       0.00604397       1.93685577      -1.68380777 
Hf       5.67644002       1.76556000       2.61557996       1.04613711      -1.80680416      -3.81520168 
Hf       5.43538999       1.09587995       6.87150996       0.16351679       1.64113068       2.82015035 
Hf       1.96663996       9.00960999       2.26669004       0.23051105       0.66656252      -2.02463452 
Hf       3.48945003      10.55010000       4.92916001      -0.17897826      -2.13709618      -2.23597986 
Hf       3.36110001       3.50978003      10.14159997       1.37913063      -1.62948407      -0.85121466 
Hf       7.33708002      10.85439995      10.71193209      -2.61958496      -1.58455008       0.12600922 
Hf       8.92935998       1.73017002       1.64038001       2.82499419       3.01763963       5.50086461 
Hf       5.23020005       5.05087004       7.58541002       0.84448366       1.93398157      -2.34577431 
Hf       3.11310996       3.08172996       4.44070000       0.71890248       0.97485965       4.78899622 
Hf      10.83749998      10.79169997       4.70677001      -0.98764910      -1.97971379      -1.44263327 
Hf       9.08588002       1.61060996       7.47333999       0.28929616      -1.85843908       0.53109403 
Hf       5.62963005       8.66843998       2.32047000      -4.16970819       0.98460509      -1.41387313 
Hf       3.66672001       7.15992997       9.86830997       2.08205942       1.03189255       1.91873136 
Hf       4.88397996       5.15754001       2.15005995       4.72093554      -0.74562155      -2.06059471 
Hf       9.22642003       5.19575005       7.64039005      -0.37695280       1.64071427      -1.21371822 
Hf      10.94230005       7.03326999       4.79348001      -4.90006797       2.44592358       2.88190620 
Hf       5.70509997       8.76728997       7.56859996       1.21576144       0.46730846      -0.92836718 
Hf       6.98905006       3.59752997       5.07065000       2.54121118      -0.78524649       0.55063795 
Hf       7.38756000       7.05684995       4.75631995      -0.63973120       9.22888103       4.26128233 
Hf      11.02215704      10.80130002      10.39919995       0.48996148       0.14249659      -3.35557427 
Hf      10.93350001       3.13832006       4.66886003      -0.98831890      -0.10359736      -0.61186705 
Hf      10.89160003       3.47109003      10.16600004      -1.35474327       3.54879080      -0.08719729 
Hf       1.58248003       5.18982001       7.31451995      -0.35584184      -3.69845159       1.41033172 
Hf       8.95178003       9.02683001       8.28160001       1.26740606       2.21186709      -2.94079661 
Hf       1.82787006       1.36649003       7.56158001      -0.12383459       1.99978616       0.58395258 
Hf       7.16345003       7.05145003      10.31489997       0.78344268       0.11482675       1.20383165 
Hf       9.34519005       9.14150001       2.04422999      -0.24989215      -1.21245504       2.07630841 
Hf       1.86844002       5.53700999       1.97430995      -3.83676336      -0.31800564      -1.93007266 
O       7.16502003       9.13104005       9.26814995      -1.52664026       0.22624902       0.72150517 
O       0.65065205       1.40479997       5.22692002      -0.44580614      -0.66542501       2.72992170 
O       9.06572998      10.89570005       6.59394998       0.70548015      -0.04607245      -1.71052307 
O       7.92712003       5.36662000       9.31359998       0.90658022       0.03033450      -0.15737598 
O      10.95503788       5.05765003       6.03657995       0.99829732      -0.86900831      -1.46090241 
O       5.33443999       3.35162000       6.66348002       0.09461428      -4.24869758      -2.23062081 
O       6.49587996       1.49571005       5.11279000      -0.08875866       1.88981994       0.00617034 
O       8.08953999       5.57109000       4.31856999       1.27365358      -8.64415741      -3.64589949 
O       9.18530001      10.94799997       9.28164997      -0.77573258      -1.08791990      -0.07959486 
O       5.10102998      10.88349999       3.07343003       0.33464665      -1.02482348       3.58058402 
O       7.36762003       1.75804003       0.53748501      -1.06822165       0.67417763      -3.32345202 
O       7.29355001       0.55290495       2.50018003       0.92506947       1.29469501       1.33442320 
O       3.60119001       1.61851000       8.78060004      -0.25269997       1.83835507      -1.46335231 
O       3.74710003       1.71491003       3.07951001      -2.15989664       1.92922941      -0.12825934 
O       7.66928000       8.32145000       6.91005995      -2.57024878       0.47432771      -0.38305797 
O       0.04654818       8.95505003       0.52401099      -2.30261625       1.99317782      -0.08138915 
O       3.62259000       8.79662998       5.92063004      -1.35851803      -0.45933242      -0.63108702 
O       5.38855001       0.21434303       0.80727901      -0.00224174      -0.44278187      -2.84008355 
O       3.26565003       4.63817996       6.10546998       2.02450044       4.98783056      -2.81540075 
O       0.14496295       1.27102998       8.74106002      -0.04492380      -1.84767871      -0.91536534 
O       3.33012001       4.92232998       3.41412003       0.27994582       1.06093151      -0.22295835 
O       5.18548001       6.76447995       6.24290003       0.88491578      -0.14476652      -0.19443775 
O       6.78499002       5.20000998       1.07771999       1.07369868       1.59701758      -0.71363575 
O      10.37930004       4.85609998       3.00579003       3.00375782       0.33912480       1.72602568 
O       8.41811006       3.01762001       3.26472996      -1.30430718       1.26755633      -1.06219460 
O       9.11837996       2.94898999       5.77515005       0.11172908      -0.68927995       1.23190694 
O       7.25767996       1.46057998       8.22473005      -1.95437621       0.26692247      -0.88626417 
O       1.65388005       6.75211998       3.86907004      -0.04925703       0.22239371      -2.26381518 
O       5.21876999       7.73460003       0.46982298       2.77162410      -0.87628785       1.21304796 
O       5.36504003       3.23828002       0.99819195      -2.57942461      -0.13101764      -0.51632226 
O       9.27474995       7.96191998       3.95164995       0.28907824      -2.18727457      -0.23699301 
O       1.69602998      10.74160006       1.13853999      -0.80424617      -0.33237710      -0.69760844 
O      11.05410005       5.92428001       8.38608002      -2.95988418      -1.23112082      -0.18263416 
O       1.01777004       3.41438000       8.70257999       3.30805309       1.59025526      -1.81056713 
O       7.16820000       9.22092997       1.24856999       2.33507717       1.73879107      -2.52744363 
O       9.18859006       7.57470998       9.51278000      -0.61328615      -0.75133967       0.70246159 
O       7.24924005       4.55547003       6.81958996       1.92430194       2.11112265      -0.22659465 
O       1.87913997       6.99160998       9.05392001       0.37470036       1.08590256      -0.17936521 
O       3.51095999       5.78026003       0.78402196       0.36094589      -2.38436051       0.17774126 
O      10.64290001       5.62837002       0.28724900       0.66700399      -2.03066246       0.17304156 
O       5.68431005       4.22004002       9.31883002      -2.69723264      -1.56366587       0.01403272 
O       0.36907702       8.94975000       5.64112995       0.23276605      -0.63938893      -0.11250648 
O       3.68398997       1.28594002       5.82020997       1.21667945       0.48546561      -0.05805207 
O       2.23549998      10.40709996       9.14749999      -2.86230284      -0.75589569      -0.30508350 
O      11.02870004       1.98668003       0.59171599       0.72250467      -4.01012418       2.10077151 
O       8.84825006      10.33869995       3.76059003       4.90828675       0.99300658       0.49250125 
O       5.45884006       6.52831002       3.42941995       0.96238486       2.38080713       0.17327383 
O       1.81693999       3.15124005       6.23412004      -2.16519706      -1.46750242      -0.06638273 
O      10.54909999       1.46757005       3.27100999      -0.23896746      -0.06551583      -1.26141477 
O       9.21236005       3.13190995       8.76146998       0.53648721       2.46621822       0.83214355 
O       3.00222005       1.57653005       0.28173199      -0.33667335       1.67952868       0.96749074 
O       5.87349006      10.19870003       5.96440996      -1.76586623       1.12314796       2.40372434 
O       1.84855000       6.99340002       6.56141004       0.84678073      -0.13492256      -2.39686259 
O       1.68888000       3.95595998       0.40606103       1.13786272       0.40902063       1.61106397 
O       5.64395005       6.65166002       9.08696996       0.09996241       0.60581873      -1.52943202 
O       3.04646999       8.58637999       0.52243102       1.76522465       3.82280057      -0.55824818 
O       8.83281000       7.39791996       1.46420005      -1.01958562      -3.00654585      -0.48333411 
O       5.86292998       3.87316998       3.36668005      -0.49506504      -1.92061283       2.72246130 
O       3.54347998       4.89360005       8.56170002      -3.51451857       0.30525358       2.13972090 
O       1.60748004       3.32832997       3.34409996      -2.43156065      -0.79372467      -1.15609739 
O       2.06179004      10.71440004       6.70534003       0.09244820      -1.17645654      -1.30667024 
O       9.04058999       3.67030995       0.62023896      -0.83031943      -0.82253851       0.85564415 
O       4.87328002      10.51650005       8.59111000       2.94580788       1.15390979      -2.22951330 
O       0.00301220       9.10721003       8.50516000       0.43384379      -0.35340812       0.38978871 
O       3.87584995       8.83968999       3.40482005      -3.14296311      -1.18924571      -0.51097837 
O       1.58068999       7.25142998       0.97011495      -2.16584497      -3.57621317       3.89504218 
O       9.23057996       6.89415003       6.12661997       0.85128720      -2.56596984       1.32235182 
O       1.96692999      10.92909999       3.60417003       0.39154638      -0.63931196       0.61575604 
O       0.02224873       9.40633000       3.06959001       1.68908853      -0.30368955      -0.58923917 
O       3.99878998       8.36421001       8.29440996      -3.87623121      -1.40462651       1.38611015 
O       9.20299002      11.02817490       0.82878300       1.90448247      -2.39880219       1.23652630 
O       6.92206002       9.02757996       3.64326998       0.07630522      -4.48111726       2.36313069 
108
Lattice="11.07156085 0.0 0.0 0.0 11.07156085 0.0 0.0 0.0 10.74111174" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.006583523116654381 -0.006431741548478349 -0.007736445145361592 -0.006431741548478349 0.004028250597476201 0.0016588422746257067 -0.007736445145361592 0.0016588422746257067 0.017207418365794196" pbc="T T T" energy=-1041.58621349 free_energy=-1041.58621349 config_type=crystal 
Hf       1.54948996       1.30768995       2.01904995      -0.02260958       1.25599574       0.71589822 
Hf       0.12584600       6.55182000      10.00600004       1.15185771       0.77163383       2.23470034 
Hf       1.73976005       8.81783005       7.14435004       3.01098258      -0.34539138      -3.97304915 
Hf       7.22752998       3.23298999      10.66630000       1.11162178      -0.36452523      -1.24743116 
Hf       9.08760003       5.55141004       2.15728001       1.24645668      -1.29433828       1.66680869 
Hf       3.66101000       6.68451996       4.53715999       1.78445654       2.84080688       1.77837917 
Hf       3.66020997      10.42750003      10.05710002      -0.92251699       4.04349572       0.03405805 
Hf       7.05434995       0.19094003       5.37590000       0.71127648      -2.30382443       3.09597724 
Hf       5.41123998       1.47548997       2.16073005      -4.03133072      -3.27571418      -0.22418659 
Hf       5.55624001       2.21849999       7.63965998      -0.82122313     -12.89028031       1.86006676 
Hf       1.58565998       8.65031999       2.02964004       1.54480708       0.19518041      -0.09043624 
Hf       3.41672996       0.08339443       4.43440998      -0.77539168      -2.78129876       1.67752704 
Hf       3.15265995       3.57964000       9.97103998       2.14765556      -1.82891007      -0.60711472 
Hf       7.30366999      10.23360002      10.24299999       2.69034653      -0.41827461       0.65699254 
Hf       8.77422006       1.31999001       1.97828002       4.17670616      -1.04519928      -0.45644242 
Hf       5.59979995       5.20940996       7.27245005       1.00632314       1.06761203       1.25156691 
Hf       3.59882004       3.39353006       5.06279004       0.21547370      -2.41483959      -1.77464623 
Hf      10.63789999      10.88320005       4.74404003       2.26614195      -3.32605885      -4.40844061 
Hf       9.40017001       1.27272995       7.51461002       0.07189287       1.43694623       1.23828350 
Hf       5.01241003       8.85995999       1.93521998       2.12047413      -3.37899035      -0.13113521 
Hf       3.73652004       7.15675005       9.86125003       0.96956640      -1.93474635       2.22678001 
Hf       5.12837998       4.95988998       2.14714996      -1.85003479       1.33404541      -2.27082737 
Hf       9.23989002       5.48812001       7.45982004      -3.53060939      -2.58314823      -1.03643207 
Hf       0.17278001       6.94426000       4.49124002      -1.87882273       5.36059700       6.80682363 
Hf       5.32407004       8.99012003       7.61944005       1.72252247      -0.00710648      -3.00325833 
Hf       7.28836998       3.87009997       4.33873997       0.08095685      -2.69536420      -0.83622776 
Hf       7.07210996       7.38397003       5.03589000       4.08448716       2.50976457      -2.08747267 
Hf      11.00079996      10.40990002      10.05800002       0.13871110       0.25028665      -1.12989555 
Hf      10.84930004       3.20287999       4.94589001      -0.10245322      -2.19211931      -1.72563065 
Hf      10.70200001       3.05581003      10.06660000      -2.25888424      -1.19476963       1.71094425 
Hf       1.25430001       4.87727000       7.28097999       2.55712507       3.54180696       2.75370656 
Hf       9.24744005       8.80465002       7.41953002      -1.84641365       2.76109491       0.79103412 
Hf       1.92192000       1.40117002       7.61650998      -0.28859699      -1.82211966       1.29483835 
Hf       7.40841006       6.81639000      10.25489996      -1.60036422       4.01256485      -2.67218751 
Hf       9.20599997       8.95526997       2.26473001      -5.48357822      -1.44953747      -1.16310005 
Hf       1.66425998       4.94986999       2.21048997      -0.00443587      -1.77210196      -2.02023002 
O       9.20390999      10.78710001       6.08092005      -2.53523652      -0.54018644       1.71904090 
O       0.04182625       1.10627999       8.64447004      -0.64575919       0.45065108       0.56603895 
O       0.15822700       1.05987000       6.00995997      -0.08317631       3.80799789       2.57862785 
O       7.60459003       5.37696996       8.51028004      -0.89421068      -0.26404133      -0.34827025 
O      10.88309997       5.44594999       5.85180000       0.13887894      -2.98397946       0.25318780 
O       5.76519999       3.12067000       6.14950000      -0.13554858       3.96073402      -4.56104236 
O       7.49147001       1.44758997       7.71698997      -3.09754801      -0.21286098      -2.42794228 
O       4.11801004       5.21285997       6.01531001      -2.50589637      -1.60704321      -3.22684623 
O       9.11271996      10.59080002       9.12186004      -0.21039262      -0.27779118      -2.79098607 
O       1.49924002      11.05318671       4.17805004       2.10766219       0.46807760      -5.27709119 
O       7.09260995       2.36251996       2.05122001       3.42702694       1.57588919       2.24223870 
O       5.90563001       0.17044601       3.89365000      -3.05260506       0.35533936      -1.13200300 
O       3.45105999       1.56668000       9.15901000       2.44030439       2.20062590      -1.22768635 
O       5.20510999       3.71267001       3.80601005       1.97271936      -1.07037902      -0.63115561 
O       7.34836998       9.13544003       6.21646998      -0.44781911      -1.14031027       0.12774557 
O       0.80333496       8.32584000       0.02061875      -0.69250847       0.43110271      -0.04218216 
O       3.78403995       8.75485999       6.30874998       1.69185127      -1.00040420      -0.03135511 
O       6.15162005      10.28489999       1.35435000      -1.26173598       2.95578515       0.42288974 
O       1.75785995       6.89875998       6.44074998       0.13040855      -2.61270228      -0.72347546 
O       1.28033002      10.72190003       0.81594501      -0.37541017      -0.80517665       1.90196837 
O       3.24350996       4.83886996       3.57358001      -0.18218635       2.28546799      -0.54433081 
O       5.37604006       7.07288995       5.82516000       0.43240351      -0.02304355       1.13641969 
O       7.54425999       8.59645995       0.63547296       1.79028012      -2.58414855       0.96159294 
O       0.11009095       5.74093999       3.13150002       0.55509683      -4.23367921      -4.22473104 
O       6.94342996       5.24329005       0.48598203      -0.19110473      -1.52139401      -0.22436433 
O       9.36795000       3.24797999       6.67561996       1.58376163       0.30334060      -1.46595337 
O       7.16162995       1.24522996       0.04380386       1.39973768      -2.12465672       0.21054991 
O       1.98686002       7.53710001       4.02295999      -1.40428801      -0.49975839      -0.69282265 
O       5.35589004       6.64796001       8.66938995      -1.32587407       0.18809790      -0.19813964 
O       5.32547004       2.82590995       0.72006899      -2.72640911       2.34064890      -0.13142476 
O       9.14251996       6.93701997       3.88870995      -1.25690000      -0.67745633      -0.84388401 
O       3.49367000       1.87976005       3.46225000       2.01216753      -0.80211979      -0.21401772 
O      10.60919996       4.77229002       8.60529001       3.04843936       0.43217831       0.88571518 
O       1.39735996       3.04331998       9.06529004      -0.04966904       1.06995920      -0.70445115 
O       9.32947998      10.28399998       0.63723300       0.94468197       0.55226124       1.83581926 
O       9.40350001       6.95759005       9.31645998       0.89703639       0.06831968      -0.82174481 
O       7.15816001       5.11466995       5.80543996       0.88382071       2.16779915       0.59728389 
O       1.94291002       6.51352004       8.82233995      -1.71929306      -0.28130086       2.59623645 
O       3.83516000       5.13689002       0.39462501      -0.32679509       0.02699666      -0.47967382 
O       0.23808296       4.92791996       0.56651599       0.38533472       0.90364625      -1.34593769 
O       5.74688996       3.40679999       8.92982002       0.71432304       5.29489559       3.77506841 
O       9.21109997      10.72240002       3.13042000      -2.27708731       3.26595682       1.24100559 
O       3.78507005       1.29868003       6.02279001      -1.18510282       3.28841694       1.12574371 
O       3.35095005       8.93140998       0.50350304       0.63313893      -1.74602889       1.38272235 
O       9.47616997       3.91061003       3.55021004      -1.75873977       0.51428719       1.27437691 
O       7.73399997       1.89227999       4.50072002       0.77142231      -0.08598467       0.65008701 
O       5.40408000       6.83725004       3.08167995      -3.19308970       0.31881305       1.20524541 
O       1.35057000       3.11155002       6.42016002       1.52927943       1.03642855      -1.18731685 
O      11.00742629       1.46219004       3.34984996      -4.22830772       0.11227317       0.53983034 
O       8.83405996       2.46553995       9.26323004       2.60315250       2.16576564       1.92524774 
O       3.56703005       0.51093205       1.39890005       1.08514786      -0.23812355      -0.72314609 
O       5.67247003      10.85559998       7.12841002       0.29220536       1.69427875      -2.85730612 
O       0.14431602       8.68555003       5.71473997      -1.81065383       1.64343509      -0.22170483 
O       2.07942004       3.12903999       0.88575096      -0.45010786      -0.49360344       1.32356733 
O       7.38177000       8.44714998       8.90692996      -0.15504589       0.96733510      -2.11284981 
O       5.46902998       7.31632999       0.39950802      -2.18808668       1.04426837      -0.05332660 
O       9.97074999       7.22584002       1.43403004      -0.96907552      -1.50437022      -1.80123899 
O       6.89446997       5.09281004       2.67633005       6.26535399      -0.73364612       3.34680670 
O       3.22073000       4.51736002       8.02647996       0.87035927      -1.42052094       1.35407398 
O       1.53825000       2.99410999       3.62697000      -1.00052537       4.00571197       1.50656564 
O       1.98704004      10.98620000       9.08093995      -0.75750818      -3.16649683      -0.91864404 
O       9.07855003       3.80493996       0.96501402      -0.76360097      -0.72086701      -1.23229189 
O       5.56528005      10.25189999       9.37581998      -2.73736577      -0.01155467       0.61060827 
O       0.05104200       9.11013996       8.06591004      -1.78099302       0.76273147       3.82872595 
O       3.48524997       8.98584995       3.22466005       0.90781092       2.42211661      -0.71405186 
O       2.38658997       6.79079997       1.78553002      -0.88205007      -0.36771509      -1.14327526 
O       9.09363005       7.15331000       6.48289004      -1.14611709      -0.16896658      -0.49442393 
O       2.24259004      10.32259998       5.95270995      -0.72179578       1.23944450       4.31896781 
O      10.87070004       9.08804002       3.18816003       4.05833367      -1.56636626      -0.32464364 
O       3.61827001       8.73519004       8.67359005      -1.47371256       0.87573222       1.66458974 
O      10.68100003       1.61081002       0.83760596      -0.29745256       0.61306042      -0.96042305 
O       7.23732997       8.76804002       3.63186999      -0.06793086      -0.38636610      -0.98867438 
108
Lattice="11.06884611 0.0 0.0 0.0 11.06884611 0.0 0.0 0.0 10.73847803" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04143178789917342 0.0038578123533682266 -0.006773364876951774 0.0038578123533682266 -0.016534072833226554 0.005439778684105488 -0.006773364876951774 0.005439778684105488 0.0008115033655595333" pbc="T T T" energy=-1033.74445631 free_energy=-1033.74445631 config_type=crystal 
Hf       1.99528005       1.42692004       2.06669999       1.08322433      -2.14857652      -0.36690998 
Hf       0.16549796       6.56693996      10.32129997      -0.37626288       1.20442365       0.41380774 
Hf       1.65226005       8.85956995       6.96471000      -4.56464594      -0.64313651       4.64767706 
Hf       6.92671000       3.15509998      10.34140004       4.72874876       4.16654559      -4.83485742 
Hf       9.24873996       4.74463996       2.12511001      -0.88435507       1.89192810      -2.20052306 
Hf       3.65515005       7.21234999       4.77775999      -2.26852652       0.52393542       1.51966539 
Hf       4.04855997      10.90550005      10.06440003      -3.10109175      -0.89101382       2.03650292 
Hf       7.15147001      10.92739998       4.88200001       1.02032542      -1.71856214       1.07702238 
Hf       5.68386000       1.65119999       2.28615002      -2.47008362      -0.18695271       1.27361043 
Hf       5.19025001       1.98452999       7.84560002      -0.93271735      -3.35528129      -5.58200389 
Hf       2.25989997       8.75643997       2.03224000     -11.40215357      -0.65734737       4.80136152 
Hf       3.53466001      10.85479997       4.58170996       0.45238425      -0.95478138       1.67886041 
Hf       3.44664995       3.78250996      10.17100004      -1.24785186       0.53036199      -0.89215886 
Hf       7.42052001      10.96479995       9.79513001       1.13735215      -3.53275183       1.93683553 
Hf       8.87099998       1.49239005       1.89547002       1.73431823      -3.50378284       2.33896077 
Hf       5.03788004       5.27735995       7.52611999       7.11940569       5.33144402       1.35115364 
Hf       3.49063002       3.57117005       4.86791005       0.30191270      -2.68615112       2.37749740 
Hf       0.00633061      10.60099997       4.42511997      -2.19561824      -1.35118158      -1.65154948 
Hf       9.16114996       1.51196995       7.40229997      -0.71090606      -3.19173828      -0.63332487 
Hf       5.41370998       9.29833005       1.87982996      -0.58958427       0.77207001       1.82225040 
Hf       3.49206001       7.36605996       9.74274997       0.81149146      -2.01140083       1.90592968 
Hf       5.43736001       5.01193998       2.32769999       1.05428940       1.87363862      -1.67706427 
Hf       9.00641004       4.97812997       7.36750000       3.95351274       3.72592818       2.87364267 
Hf      10.62330004       7.13296002       4.26562995       2.78825956      -0.03659872       1.75227028 
Hf       5.46276999       9.31428003       7.46495996       3.14983435      -5.44585855      -0.57921127 
Hf       7.34201997       3.57796001       5.13049000      -2.78689149      -2.62925407      -0.79329200 
Hf       7.11975998       6.50288001       4.53473997       4.17159930       9.75807335       5.36547129 
Hf       0.55403095      10.42849997       9.92699004      -2.30014645      -1.29080055      -1.47286741 
Hf      11.01850511       3.23564000       5.05070000       0.34543461       5.29428362      -2.41361620 
Hf      10.97790004       2.50938002       9.92140002       4.45261872       4.38702715       3.99102177 
Hf       1.54917998       5.47257997       7.56341999      -1.88928622       0.19385296       2.05449871 
Hf       9.34984999       9.02859002       7.35579001      -0.50827348      -1.97515482      -1.62593338 
Hf       1.52156000       1.50205005       7.41187000       4.46708807       2.09273107      -1.23362939 
Hf       7.53080999       6.77755996      10.14730001      -2.20041763       0.92848216      -3.69649546 
Hf       8.53187997       8.82243995       2.18270004       3.14389620       0.91733036       2.28525481 
Hf       1.57012999       4.87173998       2.08764002       1.68678549       3.69646891      -2.51545366 
O       9.33055998      10.98481907       5.95479995      -0.15513010       1.33858758      -0.10948377 
O       0.06121437       1.01925997       8.76251002       0.77648239      -0.77227225      -4.03758641 
O      10.95642216       2.00344000       6.48202003      -0.53921862      -1.64134603       0.10663231 
O       6.99081999       4.89751003       9.22534003       2.37676714      -0.98449256      -0.60106400 
O      10.66219995       5.22296000       5.73367998      -1.38898960      -3.92222632       0.90833907 
O       5.26224002       3.68600003       6.52762001       1.19566257      -3.16293199      -2.23864548 
O       7.28928002       2.01456995       8.74288996       0.22855791      -4.18553961      -1.25522609 
O       3.71219999       5.69124005       6.23354002      -2.26523130       1.01305872      -3.40696979 
O       9.15174997      10.73900003       8.82476001      -1.93334648       0.82615548      -1.17760897 
O       2.12522000      10.46859996       3.07239003      -0.83581212       2.68840559       0.22673694 
O       7.43497005       1.82518000       3.28456002      -1.48450076      -0.74842206       1.43404872 
O       5.37555003      10.69300001       3.33910000       2.84314209       1.29509135       0.21289473 
O       3.81119997       1.67610002       9.71938004      -0.25467981       1.09495444      -0.67841963 
O       5.50332004       3.70498000       3.90138002      -1.58768377      -0.21604429      -1.06914321 
O       7.47926005       9.52857002       6.86680998      -1.94818638       1.13126228      -0.05395638 
O      10.76690005       8.97856005       3.15617002      -1.62412730       1.16563728       0.75089352 
O       3.14278002       9.03440005       5.92129998       3.86625342      -0.09080470      -0.44287527 
O       5.76132001      10.53709996       0.22448799      -2.63588220      -2.12441347       0.74055761 
O       1.08969004       6.93384000       6.45584005       1.62824884       2.23079077      -1.71811746 
O       1.94093002       0.02814642       0.34493302       3.60256351       1.26965153       0.53235202 
O       1.69155999       2.63527996       3.97729000       1.50747570       2.98921968       0.61690277 
O       6.05330001       7.16511004       6.47578999      -2.72368112       0.99658121      -0.31194767 
O       6.89843995       8.36961999       1.21521997      -0.86771971      -2.32901244      -0.33899831 
O       0.24093203       5.01932998       3.43487004      -2.27497668       0.05208018      -0.68281914 
O       5.79411003       3.36853999       0.94777302      -5.52860733      -1.21314286       7.42080950 
O       8.99135995       3.05881995       6.00686997       0.22855175       0.94419781       0.96800609 
O       7.00151006       1.02515004       0.90370199       2.16100539       2.47654367      -0.60777731 
O       1.59620000       7.86457001       3.71441002       0.96756557      -2.74181478       2.85088734 
O       5.29353995       6.61986001       9.14303003      -3.16769584       0.83402805       0.28816392 
O       5.11922997      11.00767391       8.33983998       1.45387333       2.96618045       2.43266469 
O       9.03752999       7.00528996       3.12976003      -0.46152990      -2.35897142      -1.55648046 
O       4.06226995       1.64034997       4.15814004       0.40944486       1.94957000      -2.06614632 
O       7.37718005       5.42066000       0.91853204      -0.41641415      -1.11375528       3.38521615 
O       1.82547997       3.13920999       8.88027998      -1.70471137      -2.09475498       1.77548720 
O       8.65647002      10.16959999       0.71487004      -0.40526541       1.87504790      -1.40829386 
O       8.63095998       6.70940996       8.30889995      -0.49357928       1.07369804       0.65208777 
O       7.51745997       5.42766005       6.25722997      -1.69253493      -3.89123600      -2.23814847 
O      10.64659996       5.30435997       8.72440002       2.62524287       0.60734371      -1.16800003 
O       4.53659004       5.35065995       0.66567804      -1.97675986       0.64743685       0.29576485 
O       1.93487005       5.24380995      10.51920003       1.03524191       0.69064855      -0.39066145 
O       5.27725004       3.27221999       9.12637003      -1.69846759       4.07506983       1.69255922 
O       8.80947003      10.66169997       3.39838005      -0.51503891       1.10018686      -0.45944214 
O       3.51569000       1.69126002       6.34212998      -0.41457879       1.28815647       3.06314722 
O       3.69925995       8.69409004       1.02223997       7.17286446      -1.51974567      -5.89881011 
O       9.25999996       3.21940998       3.32650999       2.51672999      -0.90474239       0.04441298 
O       6.82376996       1.68946001       5.93811998       1.04497344      -0.35055545       0.28211449 
O       3.34912999       5.66258004       3.61430002      -2.05104672      -5.18708630      -3.04592079 
O       1.69118000       3.90171003       6.58481003       0.40170953      -3.70168432      -4.82515740 
O       0.20644095       1.31129000       2.70464000      -3.97762759      -1.31931511       1.57900819 
O       9.70078997       2.85086002       8.72815000      -4.89570308       3.12234875      -3.09841387 
O       3.92237003       0.86243501       1.76572000       1.18118135      -0.17227686      -1.89276203 
O       5.43529999      10.67109996       6.08513995      -1.13124604      -0.36159328      -3.78407358 
O      10.82229996       8.88193002       8.58572997       0.57506605       0.69178575       1.18089881 
O       2.63885996       3.25124995       1.31546001      -0.81751601      -0.24863050       0.24196162 
O       6.49159997       8.62316995       9.39199004       1.87594005       2.61968100      -1.23838422 
O       5.37575004       6.69243998       3.97935995      -0.30765845      -1.32664007      -3.73597098 
O       9.15319999       7.20079998       0.34393004       3.47715536       0.33105513       0.44337261 
O       7.70397998       4.96313998       3.64512998      -0.65883549      -2.48646707      -2.18428766 
O       3.42132997       4.92202996       8.30114001      -3.55380259      -0.34081936       4.84166971 
O      10.65060002       4.62247997       0.36710701      -0.16727069      -0.52087261       3.63645970 
O       2.06100000      10.85200000       7.96159996       0.02927307      -3.40002275       2.10060602 
O       8.52828005       3.05630997       0.76837000       2.80658939       0.58495724       0.89912910 
O       3.74892000       9.11982996       9.07222995       0.18098909      -0.18905589      -1.26057768 
O       1.03546000       8.84358997       0.14772495       0.18050125      -1.90685133       1.71097791 
O       3.73277996       8.77848999       3.65964002       3.44022365       2.03442006      -3.22434042 
O       1.16466996       6.83498004       1.48492995       0.23714225      -1.87460853       0.14470093 
O       9.34312999       7.14838003       5.73637995      -1.19197936       2.24654981       0.41525097 
O       1.60042000       0.16204802       5.42725998      -0.10811999       0.03094112       0.20510956 
O      10.98329998       9.21922997       6.13721996       0.44608689       0.97580010      -2.84544338 
O       1.60205996       7.53302996       8.85329998       3.03365531      -2.63450312      -0.26951121 
O      10.83849999       0.91288305       0.24085096      -2.68063005       1.06537660       2.83985145 
O       7.21051998       8.66010005       3.92835003      -0.14404401       0.63595156      -0.93261493 
108
Lattice="11.06615547 0.0 0.0 0.0 11.06615547 0.0 0.0 0.0 10.7358677" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.013031287187036203 0.004897744254988445 0.004165821978270624 0.004897744254988445 0.0022362518548117364 -0.017644513446891014 0.004165821978270624 -0.017644513446891014 0.011098593163293775" pbc="T T T" energy=-1048.70006958 free_energy=-1048.70006958 config_type=crystal 
Hf       2.21908996       1.64493001       1.98011002      -3.44122186       0.20269115      -0.01503562 
Hf      10.87519999       6.90506998      10.39940002       2.28007058       1.48026389      -0.08637496 
Hf       1.62743995       8.90550997       7.26583997       2.87156578      -3.15739071       3.04011847 
Hf       7.45963996       3.93903002      10.13779999      -1.40314616      -3.66199986       6.79868660 
Hf       9.33212996       5.18073002       2.29184000      -1.91377325      -0.80670355      -3.03310711 
Hf       3.53854995       6.94202995       4.68099002      -3.40693232       0.99808056      -0.59430630 
Hf       3.43580999      10.86379997      10.10970004      -0.04012631      -2.20618287      -0.03034881 
Hf       7.45027003      10.40110000       4.86473997       0.00412458       2.08895331       1.46170118 
Hf       5.73486997       1.41084995       1.95850999      -2.10025917      -0.08484906      -2.03414468 
Hf       5.70762000       1.40621998       7.63314997      -0.25607983      -1.08619271      -1.19378082 
Hf       1.81376003       9.06791001       2.46160005      -1.55802197      -1.43922423      -1.84994977 
Hf       3.72985998       0.00164454       4.94187997       3.86566643      -7.48000019      -2.01877951 
Hf       3.83334005       3.21413000       9.94124998      -0.20030594       2.08086984       0.90735188 
Hf       7.15162005      10.56329996      10.27679996      -1.17741430       1.44145194       1.46446894 
Hf       9.12034001       1.31321005       2.05802000       2.38327969       1.21533445      -0.20624611 
Hf       5.27561002       5.38731998       7.06260001      -0.96287367      -3.10020660       2.18142186 
Hf       3.59394004       3.54231001       4.26271997       1.72617752      -0.79663129       0.89082171 
Hf       0.35414398      10.66999994       4.70799996      -2.81669752       1.88617978       0.84073405 
Hf       9.25925003       1.58891999       7.43185997      -0.05790128      -2.70719931       0.85390359 
Hf       5.21106003       8.64969000       2.10324999       3.35933705       1.54739086      -3.04423179 
Hf       3.53894999       7.18801996       9.92428001      -2.93561487       0.35427465      -0.23907009 
Hf       5.28094999       5.06838995       1.70798004      -0.41447604       3.32475842       0.31660901 
Hf       9.36234001       5.23422005       7.15855999      -0.93974668      -2.53158031       3.37607245 
Hf      10.86800002       7.10609002       5.01638002       1.17255194      -1.54420923      -1.61369515 
Hf       5.15786004       8.88130995       7.33595002      -0.01995558       1.03316963       1.10292418 
Hf       7.70808998       3.24667003       4.43324001      -2.17358996      -0.22204778       0.05273272 
Hf       6.85383999       6.83416005       4.62224002       3.64731572       2.06900069      -2.42705068 
Hf      10.99139308      10.48649995       9.99242003      -1.14472387       3.51665841      -1.15329948 
Hf       0.02584456       3.10062997       4.92332002       0.17100116       0.15551831      -1.79288952 
Hf      10.79380001       3.18634996      10.18199999       0.81882417      -0.38090067       0.86085763 
Hf       1.60619005       5.02486997       7.76686005      -1.24431997       0.44449510      -2.32700167 
Hf       8.81620997       8.86065995       7.58104999       2.44510944       2.66001183      -0.28705946 
Hf       1.97344997       1.47683002       7.32767997      -2.56149501       2.40014837       3.53488800 
Hf       7.30709002       7.12464995       9.78785000       0.38433085      -0.06093926       3.11320065 
Hf       8.94453997       8.89210996       2.42421003       0.18857445       0.85329901      -0.52711418 
Hf       1.38257005       5.27892997       1.96804999       4.14227812      -1.06851516      -3.17691202 
O       8.91475995      10.53930001       6.31618999       0.59925016       0.11588076       0.93580055 
O       0.06594455       1.40260002       5.87729999      -1.63223863      -0.57268364       0.09049073 
O      10.97689995       0.80013605       2.94038003       3.07321625       1.96038241      -0.14807443 
O       7.89448000       5.36341996       9.04709005       1.02910829       4.76265415      -4.41774077 
O       9.54606000       7.09266002       6.70498998       0.07322220       0.84299222      -0.71574627 
O       5.41890998       3.15067002       6.71760999       0.22293773       1.30300098       0.81258828 
O       7.53227002       0.95991296       8.18670999      -1.95872954       2.19562908      -0.75075347 
O       3.85255997       5.04272001       5.58294998       0.03249408       0.48960057       0.15739473 
O       8.81514994      10.90470004       9.59254997       5.61716351      -1.94210293      -1.70768926 
O       2.22607005      10.53320002       3.85278997      -2.58773596       0.24606727      -2.30272484 
O       7.67472995       1.70412996       5.63828995      -1.68789855      -3.08913641      -0.57881908 
O       5.28876004      10.67134846       3.83733000       2.73222807       0.04144930      -0.37825934 
O       3.67729995       1.69110996       8.75157005       0.87449344      -2.82331883      -2.31731833 
O       5.64353999       3.55060000       3.95009998      -1.91264888       1.43898247       0.34700770 
O       7.14388005       9.17305995       8.66981996       0.39294352      -2.27307008       2.09702306 
O      11.02950005       9.24334000       3.46735997       0.04018729      -2.61990222      -3.84961648 
O       3.36338997       8.86586005       6.05636997       0.80050800       0.86526251      -2.30102824 
O       6.85121997       1.56203997       0.21567199       0.11536653      -1.92013464      -0.51730112 
O       1.66536997       6.61583000       6.51170002      -0.23435623       0.09680369      -1.64874075 
O       1.64113996      11.00136822       0.77730302       2.66179018       2.27448708       2.73043717 
O       1.63964005       2.95114005       3.57856005       1.29324452      -0.20138451       1.28019799 
O       4.91578003       7.17870004       6.12676999       2.26404534      -0.79186507      -1.32535936 
O       5.02243995       6.99242998       0.51394402       0.80236742       0.48565510       1.05828664 
O      10.78050004       4.86898004       5.90089002      -0.06703718       2.55389532      -1.31574657 
O       6.06080000       3.46219005       1.37186997      -0.14087591      -1.19113908      -1.06277862 
O       9.05347996       3.19697004       6.32298000       1.52239904       3.80436299       0.09337420 
O       7.13705998       1.87965999       3.11389999       4.42979327      -1.39055498       0.42678269 
O       1.56903001       7.32760999       3.76944002       1.57846288      -0.01390640      -0.93626725 
O       5.74462998       7.09359002       8.49822998      -0.87609098      -1.22578362       0.20397891 
O       5.33791004      10.63850002       9.00868002      -1.52397482       1.33543109       1.39649435 
O       8.94639001       7.28625997       4.07837996       1.25933563       0.16643620       0.29063148 
O       5.15425999      10.64370001       1.16439997       0.05371286      -1.92484434      -0.44422478 
O       7.24878001       5.76216995       0.68600101      -0.83837946      -0.57309138      -1.13345964 
O       1.62201997       3.12748997       9.30126000       2.58149028       1.98450100      -0.86333876 
O       8.68311002      10.69090004       1.19597996      -0.47076482      -1.23684618       1.46471263 
O       9.46594003       7.64696994       9.26099996      -3.00427110       0.51488668      -0.74850361 
O       7.06938004       5.64859999       6.12287996       1.06173369      -1.81496022       1.27753941 
O      10.61560005       5.02516997       0.52897402       0.52970914       3.32977821      -0.18875704 
O       3.61394001       4.62477002       0.51183700       0.57785691       1.22758736       0.86727609 
O       8.86332003       3.53583000       1.13207996      -1.44130740       0.37769143      -0.25672305 
O       5.65478995       3.91152996       9.21525003      -1.47465958      -0.46315202      -0.29016257 
O       9.28267000      10.84929999       3.75712995      -4.53232108      -1.72175399       1.42000505 
O       3.98793999       1.61711002       3.13622995      -2.62399359       0.92960465       1.34096780 
O       3.18060995       8.75997996       0.29682999       0.98270989       3.51165358       1.79988593 
O       9.68357004       3.33138001       3.34614000      -1.74972259      -0.42835542       2.89656457 
O       5.38665003      10.65300000       6.46033995       0.29617044       2.17604248      -0.65383888 
O       3.18819004       5.18831996       3.01198000       1.14223184      -0.77684543       1.24138001 
O       1.49985005       3.32167997       6.27580005       2.62192682       0.89952273       2.42296418 
O      10.12559998       1.62929995       0.33571005       1.16760830      -2.53736931       0.76348343 
O       9.01216005       3.30006998       9.22589002       1.37347706      -2.27972168      -3.26565977 
O       3.93410005       1.86731005       0.78710304      -1.99423852      -0.23378997      -2.57426226 
O       3.47038000       1.42144003       5.91828996      -0.25234849       7.64377352       3.21729582 
O      11.00409802       9.58366003       7.66029003      -4.90933842       0.75165128       4.12754004 
O       0.99143701       3.44652004       1.28551999       2.45810142      -2.67378930      -0.44312822 
O       7.31797004       8.67821003       1.27537996      -2.95067094      -0.40360276      -3.68419045 
O       5.38266998       6.69255000       3.25981997      -0.71283282       0.54973988       0.96694802 
O       9.44445000       7.39051002       1.17160997       1.55833693      -1.50772744       1.20854831 
O       7.59756000       5.29216996       3.28535996      -0.56036330      -0.33745095       2.05581581 
O       3.33851004       5.64192997       8.31403996       2.91819036      -0.69553179       1.20444522 
O       0.03478026       5.43816996       3.23387997      -2.44721567       1.09691303       2.68195278 
O       1.66823002       0.01234452       9.15748000       4.57970120      -2.32570921      -0.44274543 
O      10.89748745       5.05355001       8.62285000      -1.74697830       0.52852511      -0.26358726 
O       3.44773997       8.91896000       8.49875003       0.88497044      -0.69993153       1.32708952 
O       0.38582904       9.07576001       0.45351698      -0.76993163      -2.71657296       1.04376431 
O       3.71787003       8.60387003       3.28607003      -1.66953183      -0.71476027       0.03238442 
O       1.93599004       6.73013996       0.60766203      -1.57352523      -1.37707558       1.26128870 
O       7.20999004       8.73685999       6.37255995      -1.01359112      -1.44528597      -3.31449713 
O       1.70991999      10.88469144       6.55382005       0.83374729      -2.60204682      -2.29342119 
O       0.60726104       8.71473001       5.63064998      -1.21720899       1.27448307      -1.48782466 
O       1.27227999       7.34877999       8.95385999       0.32493545      -0.15161133       0.16396840 
O       0.11872004       1.27222001       8.72353000      -4.43059081       3.02711605      -2.87330304 
O       7.13995998       8.88535994       3.52266998      -1.04732723      -0.52341245       1.64318777 
108
Lattice="11.06345022 0.0 0.0 0.0 11.06345022 0.0 0.0 0.0 10.73324319" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014009736266649687 0.012608323519234316 -0.020770861107299962 0.012608323519234316 -0.011170203776325133 0.013703530300571467 -0.020770861107299962 0.013703530300571467 0.01924738035723059" pbc="T T T" energy=-1041.11179735 free_energy=-1041.11179735 config_type=crystal 
Hf       1.63544004       1.47951996       2.06405000       6.95191330       1.85482398       4.34655070 
Hf       0.10398802       6.91820997      10.01719999      -1.70218798       8.47922360       2.30874041 
Hf       1.67375996       8.59210003       7.24528004      -2.12143794       1.62091869      -1.32383262 
Hf       7.32806002       3.19981002       9.91595996      -0.27946795       0.21629601      -0.10272935 
Hf       9.06987999       5.03919004       1.38594001       4.85646910       1.37646035       3.71633799 
Hf       3.24247002       7.12727001       4.17579005       1.36749759      -1.13815833       1.24837445 
Hf       3.44961996      10.23880000      10.23300000       1.40472285       0.68927718       1.11032875 
Hf       7.25577000      10.86900001       4.71282004       0.74453261       2.45181762      -0.22688466 
Hf       5.27991999       1.24444000       1.95770996       0.75431198       2.74427596      -1.14035811 
Hf       5.53487996       1.49090004       7.56539999      -2.27245237       1.51931084      -1.88018701 
Hf       1.03150996       8.83770995       2.23868995       4.15229642       1.34376845      -0.69696668 
Hf       3.68952003      10.68799998       4.55093000       0.11076402      -1.69640242       0.94868814 
Hf       4.09142995       3.60869002      10.08930001      -1.21363468      -3.00819136      -0.74518249 
Hf       7.14630003      10.68969999       9.90633997       2.33689573      -2.49796558       0.52842545 
Hf       9.05305005       1.79386997       2.39291002      -1.30918656       0.34977075      -0.92972898 
Hf       5.61781004       5.11846995       7.10547000       0.49056915       1.39707830       0.26077207 
Hf       3.65844003       3.26516005       5.00028001       0.98296834       2.39127858      -3.37773660 
Hf      10.67630005      10.64420000       4.45951003      -2.88656975       0.24101699       3.49301830 
Hf       9.53937996       1.61896003       7.58577995      -1.93859682      -4.29258029       0.00638549 
Hf       5.39030999       8.70520998       1.96669004       1.49192745       0.25026440      -0.23492199 
Hf       3.61836003       6.98007003      10.16160000       2.10890246       2.49342028      -3.51459043 
Hf       5.91241998       5.33216005       2.26788996      -1.36125054      -2.85912051      -0.00152199 
Hf       9.22548001       5.13666999       7.54587997      -2.47344090       1.60064219       3.12538388 
Hf      10.71620005       6.63070995       4.50830002       0.99423472       1.20997375      -2.91177377 
Hf       5.50727997       8.87922002       7.13626002       1.34767642      -0.18386598      -0.65220548 
Hf       7.45372997       3.72107000       4.64932003      -1.37808858      -2.74856423      -0.51067644 
Hf       7.39747000       7.54120004       4.59724995       0.41144474      -1.16163545       1.38613344 
Hf      10.75959997      10.96690004      10.01299996       1.53007359      -3.05892565      -0.50076249 
Hf       0.01084981       3.02520996       5.11264998       1.22743090       0.38860505      -2.74737853 
Hf       0.14647200       3.56921995       9.96765995      -0.76470042      -0.51453730       3.21229996 
Hf       2.21958003       5.27744996       7.48176999      -1.46672199      -1.51195296      -1.97952009 
Hf       9.12840000       9.02948999       7.15206000       1.56568961      -0.39700884       1.52341439 
Hf       1.90760003       1.07111004       7.49106004       0.79477846       4.08953893       0.45791709 
Hf       7.57711997       6.92514996      10.03739995      -4.45176448       1.98296560      -2.91763404 
Hf       9.09121995       9.14604997       1.67481999      -2.69780672      -3.26185916      -0.83525398 
Hf       1.84606998       5.31359005       1.39994002       0.50245710      -0.11965442       3.80283169 
O       9.12146997      11.01970003       6.14532998      -0.23865865      -0.65835367      -0.81403035 
O       9.34387995       3.20190001       3.83627997      -0.71763936       1.94813207       3.08445922 
O      10.45591623       1.48691997       3.63343004       6.23492127      -2.78925992       1.14265736 
O       7.40531996       4.74721995       8.35238005      -0.05537043       1.50114292      -1.38280968 
O       7.15943998       5.72913999       5.51531995       2.10302497      -5.44852268      -0.06735824 
O       7.48096000       1.72737996       5.21289998      -0.31430571      -0.41857256       0.76806653 
O       9.23920997       3.30720005       9.28796005       1.42943943      -1.03716688      -1.30407752 
O       1.44068005       3.43797003       6.78399004       0.40757431       2.15181006       0.12617062 
O       8.83736001      10.87460000       3.28633005       0.14934172      -0.96806058      -0.80186214 
O       5.33318995      10.19190004       3.44091999       1.87430586       0.67449513      -0.30095644 
O       3.85431997       4.98211005       8.36918005       2.04470432       1.31574693       0.84188096 
O       5.57347005       3.40893002       8.55015004      -0.25804655      -1.02554418       3.10399496 
O       3.54638996       2.15198998       8.37193001       0.40924148      -1.71000748       0.65791609 
O       3.24071004       1.62350999       5.78960003       0.64289277      -4.29484792       2.93760527 
O       7.35824996       1.85009000       8.26148000      -0.31743984      -1.68243759      -0.69887736 
O       3.28792000       8.80780002       2.97168997       1.63317134      -1.11852219      -0.90357963 
O       3.94094999       8.52043000       5.47977005      -2.08870029       2.76688575       1.55872045 
O       7.20485998       1.35558995       0.13577295      -0.30101906       0.28209694      -0.73875106 
O       1.53839001       6.82997995       6.09001997       1.37882834      -0.65211399       2.46055601 
O       1.75244996      10.61531521       9.46555003      -2.60350299       2.74676742      -1.94149431 
O       1.90781001       2.62277995       4.12905000      -2.00766031       1.13926308      -0.94540572 
O       5.68394004       7.20772995       6.04443996       0.91548954       1.13898404       3.64816648 
O       5.83720003       6.84833001       0.98175097       0.45681917      -1.10883114       1.65396365 
O      10.14060004       5.53505001       5.96316001       2.10135825      -3.04202552      -0.55955119 
O       5.32502003       3.60954998       3.60740998       0.49081120       1.56765064      -0.01091858 
O       9.48303005       3.29976995       6.76927004      -0.06560486       1.38110349      -3.06482685 
O       7.18519005       1.78004995       2.72715996      -2.95075016      -1.32465695       0.10355679 
O       1.39388000       7.44637997       3.74189998      -1.21781784       0.10697900      -0.99941642 
O       5.71962000       6.99862001       9.06061997      -2.19734411       0.16585949      -1.69568967 
O       4.70936005      10.48980004       8.39651000       1.59256729       2.27728386       1.12067412 
O       9.43718001       6.60983001       2.53974004      -1.12818048       1.40762042       2.01615717 
O       5.20576998      10.72560000       0.77027699       1.03616356      -0.24961219      -0.47231685 
O       7.62675005       5.13695996       0.23805679      -2.15522918      -0.23225966      -2.00266900 
O       1.99997995       4.22600997       9.78006003      -1.12190584      -2.82210622      -0.97473542 
O       9.12986005      10.40129996       0.26240805      -1.49128180       3.42337915       0.49138559 
O       7.32862005       9.66366997       8.10035996      -2.85722873      -0.41646042       0.41124192 
O       5.53050005       3.13943002       6.00647004       0.24218962       0.90057218       2.31366889 
O       0.22210496       5.11211002       3.36195004       0.67937022      -0.55984212       1.17997629 
O       5.86268004       3.53942995       0.83139101      -1.78075401      -0.07565144      -1.50150377 
O       1.73513998       7.51064998       0.81222197       1.61128919      -2.74077845      -0.64449874 
O       3.44102996       1.94876004       0.79844403       1.73416164       1.30822739      -0.40842684 
O      10.28530001       8.86885998       3.20903997       1.92817763       0.39931002       1.30944672 
O       0.05562349       9.00911997       6.08928002       0.09487445       1.52624890      -0.10373583 
O       4.52769996       8.53018996       0.14198600      -2.50104118       1.58814149       0.45134493 
O       9.39988003       3.11354995       0.92887902       0.90602802      -0.23280679      -0.39960198 
O       5.48607001      10.83390421       5.79448001      -1.13757674       0.53380995       1.99063257 
O       3.22558996       5.34277997       2.95269996       0.42058909       1.60218373       0.25888145 
O       0.25728695       1.18137004       6.03579004      -0.78054097       1.16986069       0.65762446 
O       0.49654977       1.21294004       0.78986699      -7.09333773      -1.20178717      -6.05060421 
O      10.33352117       5.46930003       9.22915003      -0.35655158      -3.81871027      -4.72896221 
O       1.29442998      10.27439997       3.68519003       2.56858600       1.86889857      -0.15846611 
O       1.88789005      10.51869998       6.61914997       2.55571809      -3.24064735      -0.92168022 
O      10.57820718       8.91811999       8.81110996       1.92881923      -0.59781398      -1.42675742 
O       1.30319998       3.54297003       1.41934004      -0.39454341      -3.12490598      -0.63375365 
O       7.30936998       8.85075995       0.30092697      -1.37823730       0.98911122      -0.79744850 
O       5.69722005       6.95193999       3.67919004      -1.61045955      -0.56540998      -3.15807504 
O      11.01813167       5.42311998       0.57743399       0.33549331      -1.07340537       1.41237350 
O       7.83740998       4.35705001       2.82624003      -3.80211246       3.38554556      -1.46933723 
O       1.77420004       6.35389999       9.27669003       2.12024826       1.68147829      -3.60365577 
O       3.90440000       5.41679998       5.90416002      -1.95800179      -1.79729460      -0.25066231 
O       2.45223996      10.79769995       1.33793998      -0.03103970      -1.71183061      -0.06305334 
O       8.54060996       7.29007997       8.20503001      -0.29985117      -1.54931445       0.00724706 
O       3.06920997       8.76756004       8.77819003      -0.07596998      -2.98781898      -0.54331340 
O       9.25114998       7.31068000      10.71098040       2.92816834       0.60886286       2.93432773 
O       4.01430996       1.17619998       3.43290998      -0.92814530       1.08465782      -0.17561126 
O       3.74813994       5.31826004       0.33556100      -0.04922696      -0.91203344       1.99411781 
O       7.46947005       9.10800995       5.76741002      -2.00873570       0.95155374      -0.80515651 
O       9.03748002      11.05769999       8.76485998       1.77708854       1.62790353       0.71593332 
O       9.34639002       7.59126005       5.79252999      -2.81734295       0.19806794      -3.00478379 
O       0.12234981       9.22690996       0.45912897      -0.75180140       0.37735287       2.34562318 
O       0.20414400       1.73010998       8.67363997       0.47082676      -0.19321430       1.11712369 
O       7.44701999       8.75714004       2.80128996      -1.16957594      -0.65466514       1.46716329 
108
Lattice="11.06076452 0.0 0.0 0.0 11.06076452 0.0 0.0 0.0 10.73063765" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014270109414393972 -0.01170510853580919 0.006102151468867571 -0.01170510853580919 -0.03399967684761263 0.00929927233775299 0.006102151468867571 0.00929927233775299 0.012701929247874343" pbc="T T T" energy=-1035.70782061 free_energy=-1035.70782061 config_type=crystal 
Hf       1.71577997       1.40029002       1.39251002       1.52807104      -0.39895664       2.47589964 
Hf       0.03278189       6.40850001       9.99439004      -1.10407266       3.45826448       1.97934861 
Hf       1.59823999       9.02191997       7.60028005       0.84104603       0.76572602       0.30913916 
Hf       7.12633002       3.21963005       9.71410997       0.64067838      -0.64894511       1.12246524 
Hf       9.34808997       5.02182999       2.23311995      -5.83551664       3.94706668      -2.14409557 
Hf       3.92329996       6.87632002       4.18631995      -0.53002098      -1.91589221       1.87546502 
Hf       4.04419003      10.52580003      10.15809997      -0.24499332       5.47802547      -3.22569759 
Hf       7.13199999      10.84109995       4.46184002       1.19207342      -1.89378455      -0.15695696 
Hf       5.31294997       1.51096005       2.07515005       1.70262136      -0.52712239      -1.68295159 
Hf       5.68195002       1.04424003       7.14726997      -6.56099558       1.47142309       4.58470803 
Hf       1.69678996       8.67867005       2.43160005      -2.18707920       4.33041649       0.14616093 
Hf       3.46613003      10.81399997       4.67492001       0.17134438       2.04777271       2.13969886 
Hf       3.27153003       3.75266002       9.97231003      -2.21858788      -3.61564395      -0.76640055 
Hf       7.55282005      10.61859995       9.96232002      -2.65299255      -1.03381063      -2.81996344 
Hf       9.37341005       1.57304003       1.98291002       0.88363263      -0.95602401       1.49018476 
Hf       5.24894000       5.00471002       7.35075001      -0.12677990       0.01852282       0.96291008 
Hf       4.05208996       3.32192996       4.72582004      -2.52682840      -2.26179703      -0.79041268 
Hf      10.95850001       0.10050895       4.85867005       3.33384984      -2.78647613      -1.12650934 
Hf       8.96552998       1.59980996       7.21557005       1.57378239       0.26844030      -0.85029659 
Hf       5.41844002       8.92427997       2.23790002       2.25651406       1.06200513      -3.40853782 
Hf       3.58926996       6.96830996      10.62090003       0.04787254      -0.12764439      -4.59487534 
Hf       5.98202004       5.06903003       1.75224005       1.85206831      -2.25109396      -0.08398116 
Hf       8.99174001       5.32316005       7.55557997       0.96913964       0.18356160      -0.12482058 
Hf       0.15922004       7.10046995       4.93258000      -1.29964974       0.30057327      -0.42303887 
Hf       5.13938003       8.83348005       7.23422001      -1.32266719      -2.40348089       1.64768571 
Hf       7.51887998       3.02826998       4.69287998      -2.10939182       4.45844465      -2.36263558 
Hf       7.31468002       6.99969002       4.71229997       1.40701607       1.55933241      -1.06910331 
Hf      10.91170003      10.72840005      10.24890005      -1.01845762      -3.75062707      -4.45174884 
Hf      11.03157229       3.46423001       4.51351995       4.00137278      -0.14409491       4.38823963 
Hf      10.54809996       3.13835002       9.99765000       1.46894554       0.46797989      -2.30842708 
Hf       1.63822001       5.44046997       7.29535996       0.32707030      -7.13188005       0.43357537 
Hf       9.17620005       9.05528001       7.01922997      -2.74893459       1.23582247       1.39634952 
Hf       1.46159995       1.44376004       7.36725996       4.23023680       4.05869153      -0.31528341 
Hf       7.11173003       7.23093996       9.73912995       0.79246105      -0.80820881      -0.37989870 
Hf       9.22686996       8.85097995       1.93481005      -1.85089840      -5.91074511       3.25186607 
Hf       1.41286998       5.14593995       2.31499997       1.42299068      -2.90060641      -0.30327723 
O       9.87221005       0.01211817       3.32634004      -3.36882814      -0.65358485      -3.35050069 
O       9.60482005       3.15231999       3.20377995      -3.24984389       0.95430878      -0.55661961 
O       0.39727003       1.84126998       2.96422995       0.51542725      -0.16089213      -1.14771718 
O       6.95351000       4.97120000       8.82977000       1.58203500       1.46626229      -1.97357747 
O       8.87704995       3.82045996       5.90798005      -1.44703940      -0.07333723       1.22530599 
O       7.10482999       1.55485005       5.88209002       2.75634097      -2.52493810      -0.70147853 
O       9.08106995       3.29536001       8.55836996      -1.44350922       2.29440816      -0.02146551 
O       1.61967000       2.63089000       9.21461005      -0.41182467       1.92274540       1.94945079 
O       8.90992995       0.51350097       0.19715401       1.25451501       0.23999179       1.80859094 
O       5.66313997      10.72030003       3.15126003      -2.62085554       0.12083231       2.11958503 
O       3.37301996       4.46339001       7.93022998       0.19645003      -0.10475912       6.16009572 
O       5.61313005       2.91641999       8.60622002      -1.35697785       0.27593729      -0.74177452 
O       3.57161001       1.26911997       7.56391005      -0.84482591      -0.26887800       0.27421187 
O       4.51009996       1.42019995       5.36047995      -0.29818417       0.34345926      -1.09660402 
O       7.61666997       1.25757995       8.61998003      -1.49488881       0.80066375      -0.00089950 
O       3.60454001       8.70643998       3.17450999       1.54243181      -1.02798965       1.76577221 
O       3.26513005       9.37486001       6.36951003      -1.88045862       0.68020032      -2.80882037 
O       6.17882002       3.01152000       1.05648997       0.65441936       2.70161742      -2.36140424 
O       1.92079998       6.79716001       6.07744997      -0.03829261       3.98855279      -0.99261968 
O       1.24397001      11.00390810       8.58923997       0.47397885      -5.78296864       1.55767032 
O       1.27158000       3.30337995       6.72906998      -1.05645898       1.77081278      -0.74403173 
O       5.08754000       7.46422996       5.67489997      -2.76419133       0.51391115      -2.71540655 
O       5.76324996       8.01615005       0.29937299      -3.03740720      -0.28627731       2.31745880 
O       9.73869998       7.40761997       6.27505005      -1.04787804      -3.75732365       0.08365991 
O       3.64049999       1.14330002       2.84908999      -2.87082799      -0.27446367       0.34826904 
O      10.78179998       5.26927997       5.76892998       0.70243219       0.25650780       2.41848865 
O       7.60780996       1.68723999       3.24416997       0.16902191      -3.05371177      -1.17482079 
O       4.36448997       5.26021003       2.89299000      -2.46485451       1.12039693       0.31361282 
O       5.05123005       7.05598997       8.42254005       0.38218124      -1.32866331       1.57360435 
O       5.44719005      10.94869995       8.92745003       2.97504962      -0.07933156      -1.55223129 
O      10.92540001       8.49550003       3.41065999       2.12761537       0.49330834      -1.86932718 
O       6.18851003       0.05826888       0.67154895      -2.01978907      -0.10689376       1.00105171 
O       7.43077004       5.84255000       0.51314800      -2.04594656      -0.75467322       1.10222542 
O       1.91049002       5.25802000       0.29694400       2.09795297       0.90205137      -0.19026141 
O       8.99852004      10.02529999       8.61445997       3.02531028       1.83660780       2.40576764 
O       6.95487003       9.21338003       7.84451000       1.69598380      -1.66216143       0.85992114 
O       5.75284001       3.60944999       5.89066005       2.72322747       1.09147820       0.28158353 
O      10.70519999       5.20129001       3.48147995       3.58042283       1.90541889       0.19359123 
O       5.50605002       3.06920996       3.48707995       1.63465828      -0.16105378      -1.55984396 
O       2.09864004       7.87462005       0.72711402      -2.75141773      -3.48154462       0.15334204 
O       2.16675001       3.16218000       1.53559996       1.43772389       6.28102868       0.18825527 
O       1.85215997       6.67598004       3.66993001       1.08453144       2.72490628      -2.91472864 
O       0.31677100       9.22586996       5.80197004       0.66918987      -0.17172117       3.02127566 
O       3.45293000       9.47069998       0.79568998       4.21680277      -2.43234148       3.88073425 
O       8.95522998       3.24636005       0.51283198      -0.79887240      -1.56971574       0.51931922 
O       5.48908999      10.42279997       6.12726996       1.87618592       1.18077746      -3.39560843 
O       7.52680999       4.86071004       3.23443996      -1.65877189      -0.21446975       0.71384562 
O      10.28660004       1.79637998       5.43025002      -1.34959564       1.97691740       1.75285958 
O       0.05162922       1.38826000       0.16188304       0.52445632       4.15916477       2.88384128 
O      11.01286665       4.87053996       8.73187000      -1.21085503       0.59345177      -0.54649348 
O       1.74479003      10.57409995       3.99321000      -1.01270237      -4.53618457      -4.15584782 
O       1.71533997       1.05662001       5.35029003       0.61445312       1.00669265       2.98740745 
O       0.04051956       8.33112999       8.85955997       2.03604540      -0.04047520      -0.78389085 
O       1.96439996       4.40759001       4.24667002      -0.79793650      -3.10138004      -2.40508739 
O       8.11453002       8.81122999      10.51469999      -0.98855601      -0.79238213       1.81992352 
O       5.86749998       7.03499996       3.26125003      -0.14572145       2.42622044      -1.52562785 
O      10.68139999       4.77545997       0.93911000       4.96931267      -2.45833224      -3.15207272 
O       9.08050995       7.14434999       3.39415005      -2.68874388      -1.26546843       0.77822312 
O       2.01726002       6.44599998       9.00329997       0.80718913       2.17511993       0.10368511 
O       3.71133003       4.66922996       5.98580003       0.22001639       4.87013070      -2.20649031 
O       1.54912998      10.58549995       1.19635997      -1.62208374      -2.68746276      -0.94921028 
O       9.04918995       6.80633004       9.05399000      -0.16343190      -2.22764007      -2.46147996 
O       3.62705995       9.25054995       8.60220001      -2.22580537      -1.04154253       2.48264014 
O       9.66410995       6.79086997       0.75933898       1.70148405       1.56754391       1.47910807 
O       3.75839005       1.57363997      10.66380005      -0.50437987      -0.20087326       1.39863265 
O       4.68581004       5.13069003      10.49020001      -0.50696787       1.15325481       1.99442563 
O       7.49632996       8.96249999       5.13058001       0.58535764      -0.04845955       0.03431823 
O       9.33348003      10.78650003       6.16839996      -1.26834665       1.45201656      -1.09290931 
O       6.75107998       6.64593004       6.54881995       4.22106377      -4.27507441       1.52068979 
O      10.50779996       9.36534996       0.81205195       3.67545388       1.34968323      -2.39619562 
O      10.37319997       1.22691000       8.39550002       1.49796650       0.79042729       0.98691452 
O       7.58778003       9.68047999       2.61831003      -1.07453694      -0.42507438       0.27090421 
108
Lattice="11.05815719 0.0 0.0 0.0 11.05815719 0.0 0.0 0.0 10.72810814" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03200219068506832 -0.007981822649249832 -0.008326454715921916 -0.007981822649249832 -0.0336816767573694 -0.0019201026029601644 -0.008326454715921916 -0.0019201026029601644 0.016585761454146915" pbc="T T T" energy=-1046.42340863 free_energy=-1046.42340863 config_type=crystal 
Hf       1.44665997       1.23634001       2.04927002       0.54096718      -0.42133162      -0.49494338 
Hf      10.86890004       7.13444999       9.98968001       4.39267923       1.38470065      -1.90234137 
Hf       1.72119995       9.01541997       7.02178998      -0.11891399       0.99504349       5.30268735 
Hf       7.14171001       3.70865004       9.94045001       1.47656478      -3.41288304       0.37038355 
Hf       8.78834005       5.21311000       1.85372997       1.30883044       0.29945147       4.02023964 
Hf       3.69752000       7.10066998       4.44866001      -0.10964446       1.96302955       3.07428011 
Hf       3.44080997      10.86489997       9.76361002       0.37418833      -1.32084378       3.58119954 
Hf       7.03010002      10.57780002       5.23802004       3.40202140      -1.13671667      -2.59696159 
Hf       5.33557997       1.49038005       2.09755005      -1.88780179      -0.80789738      -2.65919248 
Hf       5.74872998       1.45066004       7.35612997      -1.17186439       1.77765262       3.17151529 
Hf       1.53150999       8.65361996       1.76295001       1.97949436       0.58826864      -3.03551887 
Hf       3.69932005      10.87199997       4.59710001      -0.70489100       0.65274956      -2.77884824 
Hf       3.59016995       3.51923000      10.30309997       2.26546334      -3.03611102      -0.39214168 
Hf       7.64618999      10.87990003       9.68909999       1.05708505       1.20716585      -1.29679594 
Hf       8.65150000       1.46855999       1.45570000       1.63861331      -3.95317587       1.92411291 
Hf       5.80012995       5.40348005       7.41235996      -2.35403288      -0.06289956      -5.68180848 
Hf       3.40824005       3.53967996       4.75089001       0.25318931       1.33836141       1.36258119 
Hf      10.91649998      10.84060000       4.69781999      -1.12980119      -3.28245419      -1.84726238 
Hf       9.73985002       1.36307003       7.51069004       1.75440392       0.76875640      -0.99679138 
Hf       5.17777996       9.17275997       2.08640998      -0.64079957      -0.53024098      -2.94855159 
Hf       4.14893001       6.69470003       9.83027996      -2.37292659       6.13119402      -0.60752845 
Hf       5.01628995       5.51985996       1.80435997       3.96177176       2.34138003       3.54480564 
Hf       9.56527998       4.89592998       7.58665996      -0.75904265       0.58724898      -1.14652127 
Hf       0.06884742       6.73988002       4.79497996       0.18623980       2.72757894      -2.16260819 
Hf       5.44233996       9.12426000       7.66037000      -5.15448563      -2.52119800       0.73206058 
Hf       7.03463000       3.30441003       4.31050997       0.44679996       1.25028501       2.76579371 
Hf       7.38417005       6.71867003       4.56969999      -0.25918971      -0.14499483       1.67155453 
Hf      10.81850005      10.46329999      10.23589996       3.18175627       1.24396015       0.61113995 
Hf       0.08544428       3.25963998       4.80081005      -2.00837104      -1.17909137      -0.88443178 
Hf      10.74319997       3.29951005      10.46330002       1.86644315      -1.56977127      -2.27673898 
Hf       1.91878003       5.28735004       7.41830000       1.73280546       2.08902656       1.54955609 
Hf       9.20410000       8.58189996       7.28839002       1.52197979       6.16275453      -2.94024054 
Hf       2.31402002       2.09090998       7.58133002      -3.68820031      -5.12379812       0.87343639 
Hf       7.62730001       7.18148000      10.27469999      -2.97144605       2.08545332      -1.14173592 
Hf       8.60347995       9.15119999       2.63061998       0.51864748      -0.27563920       0.53282588 
Hf       1.45955997       5.13957005       1.96026996       4.18307898       0.26876051       3.07361846 
O       8.77412004      10.86890004       3.65415005      -1.54353098       0.01784661      -0.37525394 
O       8.83624996       3.28302002       1.03975000       0.45882995       1.59993666      -2.59140139 
O      10.94030820       1.56320001       3.32954003       0.25805243       0.11983865       0.58963413 
O       5.75680995       2.53280002       9.21402996       0.89795260       1.41988321      -2.78065003 
O       0.28121601       4.95437002       6.53523005      -4.89019644       1.22457729      -0.50220872 
O       6.87179996       1.79848995       5.72982999       0.06786816      -2.46775086      -0.19574573 
O       9.57680004       3.26972999       6.43518003       0.01706627      -0.53421137      -0.36815159 
O       3.71220004       1.58781005       8.95147003      -0.43973015       1.42180265      -0.79736451 
O       8.88624002      10.46840001       0.40550200       1.18624241       1.29333665       4.18365993 
O       5.72503998      10.80660004       3.26830999       0.39562155       1.00334307       1.03555303 
O       3.45287995       5.45768005       0.80176999      -3.22050077      -0.55775677      -2.28538221 
O       4.85515004      10.59550004       0.62170996       0.74191848      -0.31267237       2.34635771 
O       5.90907005      10.79029998       8.82064000      -2.46448074       0.18887344      -3.10689488 
O       3.77010995       1.76276005       6.36315999       3.31560714       0.95103831      -2.15181028 
O       7.89712004       1.27493000       8.20292004      -2.84613166      -0.13143281       0.13575202 
O       3.66318995       9.23489000       3.43687003      -1.05503001      -0.22582890       1.77231451 
O       3.41189996       8.41130002       6.52384002       4.34426277       0.43435408      -2.41275539 
O       5.39792996       3.80379995       0.99305495       1.87305292       0.00682626      -0.02859646 
O       2.45579002       6.93172998       8.47795000       0.16811701      -1.05279536       2.24737642 
O       2.30105997      10.79180002       8.17124004      -0.90740891      -0.48635761      -1.27475679 
O       1.65891002       3.35812005       5.97189001       2.60931603      -2.08438275      -0.35784169 
O       5.33984997       6.89279000       5.73057001       2.29340120      -0.53335013       0.09774247 
O       5.80954995       7.09358999       0.34846601      -3.60961230      -4.61264696      -0.32192606 
O       9.33206002       6.62540000       0.25462296      -0.97348088      -0.21235887       2.67645976 
O       3.33516000       1.01609005       2.81044002      -0.94697965      -1.79088626       1.67071694 
O      10.86139995       5.12830002       9.38784999       1.16971145       0.05336384      -0.23843969 
O       7.52978000       1.84260005       2.97672001      -2.99248172       0.91359056       0.17227630 
O       5.72459997       4.11740000       5.76168003      -2.50159295      -2.12766385      -0.19616464 
O       5.71016001       7.20823997       8.42837005       0.61242379      -0.36762792       0.07174283 
O       3.39811995       8.19126005       0.77191399      -0.80373620      -0.00624818       1.78995537 
O       9.23268998       6.92668005       3.20780003      -1.75673113      -1.97149833      -0.76237074 
O       7.00017997       1.28926004       0.36202999       0.81181508       0.37283405       0.41525511 
O       7.50597997       5.20176997       0.37283705      -1.04899676       1.76885905       1.41810754 
O      10.85199997       8.79139995       0.47340105       0.01688626      -0.61556165       2.22371701 
O       9.78521998      10.81600002       8.72194001      -2.61455660      -0.29185702      -1.12130141 
O       8.23212005       8.98775998       9.35452001      -1.79932762      -2.56852929      -1.16195271 
O       8.84907001       3.97259000       3.68908999       0.71818669       0.31193784      -0.29706131 
O       0.73246004       5.06365005       4.03417000      -1.47378476       1.67810257      -0.55432953 
O       4.80141005       2.59051995       3.74441002       2.93840476       0.58253728      -0.65303678 
O       0.05536908       9.32247005       6.24779002      -2.21638177       0.35521557      -2.45515271 
O       2.06487001       3.63798996       8.61711996       0.96189191       2.39429234       0.35769890 
O       3.76768998       5.25408003       3.69077999      -0.40355123      -1.20914171      -1.68071196 
O      10.18899997       8.91868001       3.64271002       1.85880015      -0.06445329       1.29005979 
O       0.96889196       6.75515000       1.03909999      -1.16377841      -0.70993385      -2.44515675 
O       9.15404005       3.50911996       8.98630999      -1.10299696      -1.63345562       1.80772662 
O       5.02110003      10.52320004       6.05205001       3.37634921       0.75951916       1.48200504 
O       7.07191998       5.67709004       2.96645997      -1.57044970      -2.44160709      -1.10916260 
O      10.96358042       1.28615005       5.84680005       0.58500584       2.75619150       1.40984314 
O      10.70730000       1.30130005       0.53492300      -1.06888675       1.12461292       1.48800530 
O       3.54742996       5.11790004       6.43923998       0.42124581      -0.55960624      -1.70158399 
O       0.94905595      10.24909995       2.70139996       0.17526934       3.53752820       1.76226356 
O       2.04271997      11.04278392       5.44212005      -1.87569525      -1.44810509      -0.33917469 
O       9.65788000       7.07133998       5.95386003      -3.90516908       0.31311064       0.32892800 
O       1.74300996       3.33710005       3.21053999       2.72744686      -2.80356381       0.46124801 
O       6.95119001       8.59121004       1.18942996       3.71261790       1.65375616       1.49188982 
O       5.13435004       7.21885005       3.21605005       0.67860230       0.27301724      -2.69284927 
O       0.01164280       4.11779997       1.59071002      -4.67606071      -0.03918824      -1.52977100 
O       0.35473396       8.82869005       8.80676995       0.25960118      -0.25003364       0.24579809 
O       4.39471005       4.82323001       8.98946995       1.86011827       2.20309335      -0.68270833 
O       1.31843002       7.12635000       6.18749999       1.27159820      -0.36527972      -0.61863953 
O       1.76195004      10.86990003       0.41055000       0.67335498      -0.11446141      -1.30179309 
O       7.31740997       5.19243003       8.66064003       0.90537174       0.68874252      -0.29412656 
O       4.19919995       8.95671000       9.33458997       0.29989643       0.21644900      -1.90228007 
O       9.64008996       7.17157002       8.32101999      -0.50486197      -5.77174808       3.45933856 
O       4.02400999       1.98038005       0.66275699      -0.03049396      -1.59529678       0.76325257 
O       1.87022001       3.17680996       0.20740898      -4.54327702       0.27590802       2.57074481 
O       7.16278000       9.04279002       6.72749995       1.99217543       0.30153093      -0.64729246 
O       9.25971999      10.64260005       6.28098000      -3.24119319       0.69081527      -1.24910328 
O       7.61024003       5.12632005       5.95786001       1.94552923       2.87250995       0.32688658 
O       1.78961998       7.42239998       3.16063004       0.41891384      -2.82868490       4.36330196 
O       0.26024278       1.72843995       8.86441004      -0.06706337       1.22169343      -1.23737084 
O       6.91191995       8.74619996       4.13351003       2.52801197       0.70133370      -0.40416654 
108
Lattice="11.05560908 0.0 0.0 0.0 11.05560908 0.0 0.0 0.0 10.72563608" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0010631844691064412 -0.006973511974242385 -0.0050311295804423214 -0.006973511974242385 -0.0198531067405774 0.011099302791673841 -0.0050311295804423214 0.011099302791673841 0.0046114262023813956" pbc="T T T" energy=-1037.89312875 free_energy=-1037.89312875 config_type=crystal 
Hf       1.60556995       1.64630003       1.86124998       0.95610307      -1.49736855      -2.34666336 
Hf      11.04249470       7.34514004      10.46240001       2.24281285      -0.70946799      -0.89127600 
Hf       2.03544996       9.03986000       7.15097002      -2.07206801      -1.75060875       0.83713059 
Hf       7.21642003       3.05462996      10.34890004       2.54725667      -1.37353547       4.62601472 
Hf       8.95531002       5.02348005       1.73778997       2.25678982       2.35678880       4.79748748 
Hf       3.50539003       6.87439995       4.64898996       2.29454788       1.82622854       2.85455452 
Hf       3.46735995      10.27509999      10.55129998       0.26427506       1.48995849      -3.99894561 
Hf       7.43062002      10.44529999       5.13093000      -0.43320335      -0.00332177      -1.40914334 
Hf       5.13530996       1.58643004       1.74005995       1.75753990      -1.28609806      -1.35153814 
Hf       5.52275998       1.41619002       7.19404997      -4.82981756       0.68587954      -1.10409288 
Hf       1.84777005       9.27366004       2.50402995      -0.00734286      -0.78510779      -0.32910378 
Hf       3.89857005      10.84530000       4.67579997       0.28746300       0.18723938       1.54836325 
Hf       3.60470002       3.08432997       9.71539003       1.95185597      -5.34909412       1.65017706 
Hf       7.02048003      11.00230004       9.54785999       0.03888303       1.33589125       2.11835503 
Hf       9.03713999       1.21868997       2.55355997      -2.26299355       3.13907036      -3.41348214 
Hf       5.45523994       5.05801003       7.55629996      -2.39640367       2.24653971      -1.72052475 
Hf       3.07748003       3.38244005       4.40392998       2.33058679      -0.42022935       3.67160481 
Hf      10.91079995      10.68329995       4.70930997      -1.17905497      -0.95133305       1.20553637 
Hf       9.28714998       1.75252001       7.71338001       0.55055824      -1.21523112       0.31685757 
Hf       5.55529995       8.51177004       1.67354996      -2.09607755       2.13104534       1.98204468 
Hf       3.88120998       6.57068998      10.23120002      -2.41730865       3.90878712      -0.79259968 
Hf       5.30419998       4.71142995       2.11954003       1.19367703       4.40920072       0.27615224 
Hf       8.76778997       5.18623000       7.16857004      -0.78888435      -0.66106037       0.38370448 
Hf      10.67359998       7.00990004       4.93997003      -2.44824722       2.12223461       0.05065554 
Hf       5.60050998       8.42543999       7.71066997      -3.96911586      -1.61027137      -1.04077866 
Hf       7.04056000       3.43140999       4.62991999       2.11083057      -1.38032903       0.44071565 
Hf       7.17683000       7.32407999       4.68645997      -0.87045703       1.26383194      -1.72222103 
Hf      10.53889998       0.30585796      10.34870001      -1.40239169      -3.59063509       0.22250216 
Hf      10.87639998       3.41385998       5.00700997      -1.64139399      -0.24619133       0.47162593 
Hf       0.20257204       3.86022003       9.91215000      -1.35819149      -2.43508547       3.14149820 
Hf       1.64332000       5.24881005       7.38450005       2.79087559       0.56954430       0.33023749 
Hf       9.74172998       9.04889995       7.76718002       2.13956528      -0.47797250      -1.34174460 
Hf       1.70923995       1.06685997       7.58873997       2.36448035       0.22724627       2.80747091 
Hf       7.32660001       6.91869999      10.16870003       2.14250776      -1.87910279       0.53169970 
Hf       8.78460002       8.99588001       1.66641998       0.66324348       5.03605407       4.97198622 
Hf       1.56538005       5.34087995       2.09067005      -0.48023742       0.17273907      -1.95034351 
O       8.68202995      10.68950004       3.49197998       0.62126205      -1.24983829       1.09608341 
O      11.00818693       5.62981000       0.86312797       2.09555973       0.34694044       2.85373548 
O      10.33350003       1.47692998       4.32770996       0.27342994       2.17774537      -2.17431453 
O       5.87816000       1.92480000       9.48685000      -0.82483351      -0.86955054      -2.11661331 
O      10.48949998       5.43756999       6.19837995       0.99120415      -1.60207810       1.43057895 
O       7.32511999       0.99944000       7.46744997       5.33506383      -0.42926661       1.26360057 
O       8.65229998       3.33200005       3.04600996      -0.30884733       0.09589749       1.61575630 
O       3.56900998       1.82347999       8.14082997       1.87753124      -0.38783298       0.44657581 
O       8.56339995      10.94420005       0.93258805       1.08084515      -0.50255115      -0.25068848 
O       7.13982998       8.47592996       0.65349799       2.99216181       0.72549926      -3.27462684 
O       3.69131000       5.60654005       1.25718999      -3.47580905      -2.85392607       2.25184400 
O       5.77143998      10.27799999       8.25148003       0.69465024       1.93082293       1.70919503 
O       5.34458999      10.78270004       6.04296001       0.37736464       1.31858829      -2.65024257 
O       3.85982998       1.82381000       5.75550996      -0.61278377       0.97502309      -3.66836011 
O       8.82411001       1.52552005       9.81111000      -0.67245240       0.73859833      -2.65636810 
O       3.34208000       8.86474998       4.32445999      -2.66287356       3.51864122      -0.20542440 
O       3.83855004       8.83765998       6.98680001       2.52933521      -1.04058345      -1.67064784 
O       5.23771000       3.42158000       0.76346697      -1.18280553      -1.30894998      -2.76594315 
O       3.84984002       6.75545995       8.34765005      -0.14611032       0.04178578      -3.55755453 
O       0.23355295       1.31670005       6.45416996      -3.68231932      -0.10247690      -1.58552912 
O       1.31693995       3.25076996       6.50054997       0.22048058       3.78997833      -2.24511779 
O       5.43108001       6.55807996       5.83700002      -1.21420523       1.02841549       0.37899052 
O       5.62972001       6.55543999       0.44266502       1.17057433       0.73193264       0.69982607 
O       0.62447796       7.93608999       8.32716998      -2.51085288       1.23329851       1.01260122 
O       3.34971998       2.87787996       2.56339002      -1.49664844      -2.38439214      -0.81616750 
O       0.91327004       5.54931002       9.54725002       1.47523109       1.30259654      -4.34584287 
O       7.22556998       1.49615005       4.81469996       0.00661369      -0.76859857      -0.28849465 
O       6.06334001       3.34982003       6.49806999      -0.72342723       0.79905906       0.47812393 
O       6.71266999       6.66304003       8.27387001       0.44470238       0.30268468       0.17034819 
O       5.45157003      10.99850000       0.28405496       0.06530028      -1.30372499       0.25610635 
O       8.81910005       8.11496996       3.97707004       4.71121005      -1.06448556       0.08126080 
O       7.30055996       1.91524995       1.32142003      -1.67727396      -0.82084354       1.73636894 
O       7.24123998       4.70845997       0.95319704      -1.43394100       0.24370712      -2.15643937 
O       2.32663005      10.21430000       8.74756000      -0.32557239       1.43870111       0.43519468 
O      10.39899998      11.01819999       8.27353998       1.04681262       0.14608913      -0.33285035 
O       8.58762998       9.86673001       9.16349996      -2.33426738      -1.72653260      -0.91827994 
O       9.63307004       3.84513000       0.42908197      -1.27646849      -2.23673467      -2.09159164 
O      10.37190003       5.27132005       3.70739001      -0.14910280       1.87613470       0.45937108 
O       5.50744995       3.02500005       3.36638000       1.31557993       1.39935628       0.53970810 
O      10.78760000       9.45936995       2.57725998       4.10844911       0.42784868       2.36738102 
O       2.02727002       3.49753005       8.86267997      -3.15974426       2.15226134      -1.12321553 
O       3.89590001       5.12895995       3.86313998       0.04710610      -1.59621512      -1.25771004 
O       1.57798002      10.89430000       0.64985996       0.14286833      -2.10140771       2.49503588 
O       2.15179001       7.51547005       0.03103431      -1.56434592       0.52531878       1.34364609 
O       9.86821002       3.72501004       8.42356996       0.24340734       0.13132043      -1.03820497 
O       5.02344003       0.03724049       2.94869005      -1.30719019       0.52064403       1.51506656 
O       7.34676002       6.21610996       2.79115995      -1.76646838      -1.05724011       1.05491242 
O       8.74425999       3.10667004       6.30059998       1.11599928       2.51704895      -1.45886409 
O      10.71870001       1.32002005       1.29887002      -0.24371389       0.83481257       3.03282806 
O       3.67875005       5.06064005       6.49214997      -3.36756424      -1.85230104      -0.14823441 
O       1.81351999       0.36484096       3.68953000       0.07256582      -0.96461327      -2.03644516 
O       2.39066999      10.81090003       6.14106000      -1.82856611       0.04236206       0.54558022 
O       9.07620001       7.75143003       6.33103000       0.52399342      -3.34737263       1.58067310 
O       1.20168003       4.03401000       3.65730998       2.34160146      -2.13668770       2.38242941 
O       9.44683996       7.36874996       1.39001004       0.88188657      -7.33843214      -0.77532726 
O       4.80667004       7.73381004       3.10021004      -1.27116098      -5.13613534       2.86389953 
O      10.21299997       9.02863004       0.09105207       1.32590012       4.51633036      -0.97683674 
O       0.24312102       8.89369003       5.96639999       0.23092432       1.97649870      -2.22241067 
O       4.17599995       4.81112999       9.25916995       3.16162874      -1.36106124      -0.24248223 
O       1.63829002       6.98383002       6.15441996       0.98639094      -2.51755632      -1.71787234 
O       3.65297998       9.27557996       1.44540999      -1.54638211      -0.46527161       1.60980737 
O       7.15972996       4.23519002       8.94903003       0.20985942       4.19348866      -5.16026517 
O       4.62231997       8.57903999       9.56883000       0.36250754       0.37644014       3.62056399 
O       9.35026999       6.77990998       9.57518001      -2.90131951      -0.99791965      -2.19311152 
O       3.38846005       1.36256004       0.26446405       0.20567301       1.01496995       2.30915342 
O       1.03961000       3.44484996       1.33004998       1.51075114       0.39157506      -1.93996150 
O       6.74179997       8.80780995       6.15262996       1.80563245       0.45529670      -0.58263270 
O       9.33369996      10.34309995       5.93821999      -1.37831080       0.83410716       1.12483207 
O       7.48476995       5.54528998       5.35177997       3.19873288      -5.54503999       3.49907352 
O       2.06835996       7.07154998       3.13202002      -2.35207582       0.50288765      -0.36657570 
O       0.91706598       1.51169998       9.65574004      -1.26592394       1.33014262      -1.10508704 
O       6.80677997       8.96846995       3.52342004      -1.36809329       2.67853486      -1.96773510 
108
Lattice="11.05310627 0.0 0.0 0.0 11.05310627 0.0 0.0 0.0 10.72320798" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.009614156479395309 -0.013240661999803413 -0.017608497380215922 -0.013240661999803413 0.01044593191082969 0.012278065061377283 -0.017608497380215922 0.012278065061377283 0.036883212133312394" pbc="T T T" energy=-1048.35509412 free_energy=-1048.35509412 config_type=crystal 
Hf       1.51425997       1.79236000       1.93918000      -2.17350314       1.00393464      -0.99901405 
Hf       0.08531970       7.20598996      10.44750004       0.76057726      -0.27751443      -3.32094763 
Hf       1.45418999       8.78682003       7.33906005       1.25882233       1.02089987      -0.97764209 
Hf       7.29641995       3.77563997      10.22680001      -0.34735667      -1.59956256      -2.27947339 
Hf       9.56479998       5.46970005       2.07705000      -3.91993121      -0.72757834       1.47187677 
Hf       3.34430996       7.10225998       4.69682997       1.19899349       5.72087992       3.03047295 
Hf       3.48620001      10.69360001      10.03249999      -2.61223383      -0.83733365      -0.43106549 
Hf       7.07433000      10.23229995       4.70851001       0.01588554      -0.97350098      -0.09793607 
Hf       5.40094995       1.67938996       2.35920001       0.72724447      -1.38632452       1.42554404 
Hf       4.93393996       1.51766002       7.77827997       2.09639481      -0.83304433       0.83943011 
Hf       1.69343005       9.16287002       2.17436000      -0.04550433       1.41412466       1.75677725 
Hf       3.64131997      10.62330004       4.54565000      -2.75174032       1.28480076       4.96773743 
Hf       3.89437000       3.37584005      10.57009998      -2.28045558       2.17178570      -0.32630780 
Hf       7.08474003       0.05969495      10.39290004       1.35491622      -1.21721818      -0.50989476 
Hf       8.74295003       2.31225003       2.03090997       6.58826584      -2.61678338       4.40857072 
Hf       5.38321999       4.71652005       7.42708000       2.78727206       5.13171362       1.43102677 
Hf       3.45283997       3.32272998       4.79320995       3.28924924       3.43057851       0.24705425 
Hf      10.45360004      10.71430005       5.10249000       2.69556291      -0.56933075       0.83336056 
Hf       8.96910001       1.68772002       7.51872997      -1.28227545       1.66449066      -1.33140019 
Hf       5.25402001       8.84613995       1.69902003       2.91955209       0.96478717       3.76201143 
Hf       3.71508000       6.93139996       9.84186998       0.69853397      -0.18264493      -2.00930937 
Hf       5.22505004       5.22740004       2.72294999       1.19827299       3.73851259      -4.58442118 
Hf       9.56835002       5.21347998       7.31397000      -3.86614187      -0.57504078      -0.65040324 
Hf      11.00866073       7.16154995       4.53232996      -2.04962739       1.50122187       0.85227752 
Hf       5.27669999       8.90545998       7.28916003      -1.45604358      -5.97393648      -0.13670732 
Hf       7.17483998       3.04261995       4.91591004       0.64348647      -0.07999198       1.41452342 
Hf       7.42926005       6.73556003       4.51489005      -1.24701039       1.64219533       1.62099832 
Hf      10.66139999      10.59339995      10.49879998       0.37777276       2.54482151      -1.80480608 
Hf       0.37497199       3.37383999       4.77684998      -2.22648719      -2.91989880      -0.59591060 
Hf      10.99059996       3.26600997       9.81906998       0.86239604      -0.41482657      -0.27146332 
Hf       1.78486002       5.25611004       7.73151005       1.02316740      -1.89289383       0.13434099 
Hf       9.00697005       8.98459005       7.64789005      -0.22732465       0.09573055      -0.60201709 
Hf       1.53076005       1.15535998       7.48578002      -0.98047401       0.13032856      -0.31084233 
Hf       7.52905998       7.27235999       9.89672005      -2.96574084       0.78742898      -0.41739139 
Hf       9.05021002       8.99774004       2.08236002      -4.97769770       0.85122486       0.82895843 
Hf       1.74417000       5.44995002       1.99765998       3.72722160      -1.48113456       1.64294587 
O       9.05281004      10.39650003       3.76908997      -1.38452456      -0.12631902       1.03335960 
O       0.18427595       5.37504998       0.97127097      -3.06940040       1.88874418      -2.89015155 
O       1.55867998      10.52669998       5.79055000      -2.08232061       0.78464913       1.94266641 
O       7.15768003       1.69335003       8.81630001       2.58576178      -1.68195249       0.79608562 
O       0.50085305       4.89093995       6.15382998      -1.69319237       0.24673571       0.64563273 
O       7.48351997       0.79275199       5.95552002       0.91047768       1.56356339       0.31990687 
O       1.51366001       0.46431800       3.25961996       2.87263520      -4.75831535       0.20375308 
O       2.99385000       1.44247005       9.26300001       1.22574201       1.16118487      -0.72027900 
O       9.16882997      10.84549998       1.42223998       0.73040101       2.89247405      -2.02362788 
O      10.97769999       8.68485004       8.85300995      -0.91308975      -1.79624742       2.39210485 
O       3.47267001       5.10608999       0.98874401       1.60597506       0.31723735       1.79892127 
O       5.32484997       0.11944904       9.24051001      -0.29195523      -1.10620747       0.75833511 
O       5.27928995      10.47020004       6.26776997       1.59477040       1.94160958      -2.95867590 
O       3.51163995       0.63520301       6.91565997      -1.93137977       1.48411033      -0.55420013 
O       8.77136005       3.28738005       6.01171005      -0.36705018       0.01804961       1.77312776 
O       4.76359998       7.26234002       2.98386001      -0.17969166      -0.54578292      -0.42699072 
O       3.30265003       8.57746999       6.35970003       1.07370212      -0.06325439       0.70585693 
O       5.71326994       4.11463995       0.71353502      -2.78442994      -3.49890913       4.44588468 
O       3.33839002       4.93577997       9.12603998       0.88356615       0.22671898       1.00381230 
O      10.94439996       1.95009998       3.27611000      -2.37857262       1.55667073       0.74859464 
O       1.99902998       2.55233997       5.54499004      -2.53137863      -2.02252285       3.82814524 
O       7.44381997       5.95994002       2.47222005      -1.92912363      -2.16783559       1.49990182 
O       7.26877005       8.84865000       0.83037102       0.59766042       0.34034980      -0.61007196 
O       1.45738003       7.20145000       5.71041000       1.68228466      -1.05293650       1.25999381 
O       3.83811002       1.54806999       4.03406998       2.20119863      -1.91561992      -1.44398710 
O       0.07541778       5.42943999       8.99281002      -1.53672049      -0.51345281       0.53509363 
O       7.13329998       1.45732001       3.42042004      -0.46191690       0.45879888       1.20414261 
O       5.27930996       3.17485003       6.22469002      -0.21411329      -4.31670804       0.54905435 
O       5.33130996       6.82512003       8.34074000      -1.90916774      -0.28646858       1.26548573 
O       5.90125001      10.91460002       1.24066004      -1.17274995       0.19468908      -0.49980227 
O       6.39044999       5.10972005       5.33416995       0.25804327      -0.66845601      -2.44630798 
O       7.22095000       1.89132995       1.12563005      -3.67231360      -0.22570169      -5.40754481 
O       6.69127996       5.54836003      10.45369999       3.17739757       3.92821483      -2.48547725 
O       1.28338999      10.49239998       8.54757996       1.80021776       0.95722329      -0.35596008 
O       8.96965996       9.86926001       9.89009997      -2.22256315      -0.04608197      -1.73575231 
O       6.96656000       9.05637003       8.39323000       1.60105593      -0.47088404       1.15321491 
O       8.99637001       3.75344002       0.67209004      -0.34180431       2.25063482       0.24378625 
O       0.05742818       4.84020995       3.36031002      -0.80667431       2.62664704      -0.38949977 
O       5.09812004       3.57995002       3.57591996       2.49164075      -3.47128881      -0.94009076 
O       0.25384199       9.26873004       4.04455996      -0.01048712      -1.98987320      -3.15542802 
O       1.23956000       3.21644000       8.26611001       0.01824210      -0.02986992       0.08596230 
O       3.44301994       5.41652001       3.92052000      -0.02089732      -4.24462223      -1.30227543 
O       1.50532000      10.90729999       0.52766301      -0.29013713       0.40021772       0.76994081 
O       1.88624000       7.03613997       8.61425998       0.49072633       0.93368831      -0.10295789 
O       8.95804999       3.63303997       8.60577996       2.54694072      -0.43949125       1.44132666 
O       5.18171004      10.17120003       3.52434004       1.44861393       1.01891252      -0.19771366 
O       8.63537003       3.54548003       3.65499000       0.06310677       0.83483606      -3.51638764 
O      10.77530004       1.94245996       6.38819996       0.64809679      -1.45745595      -1.60591191 
O      10.80139996       2.09669998       0.74494898      -1.17752657      -2.06880560       0.19930257 
O       3.54057997       4.98076003       6.67852996      -1.30014594       0.28390559      -2.43526655 
O       2.88648996       8.94259996       3.90182999      -0.09179360       0.72404551      -2.51212405 
O       9.60405001      10.88629997       7.47459003      -1.12569674      -4.00423281      -4.43522606 
O       9.06971997       6.98144002       8.18359997      -0.75229681       0.47915274       1.57646335 
O       2.05564001       3.38414999       3.33372998      -0.36713056       0.83474315      -2.33031496 
O       9.41796997       7.24153995       2.97666002       2.91478944      -0.86334177       1.56728700 
O       5.25914998       7.82035996       0.15481299      -1.22537457      -2.31304545      -2.75246451 
O      10.81979996       8.86173997       1.10897004       2.61456483      -0.76649115      -0.89697011 
O       9.09374998       5.95329002       5.28110004       2.13474622       0.85724077       1.05820411 
O       5.38702005       3.07123998       9.23058997      -1.18664008       1.38256322      -2.35407997 
O       1.59718999       7.17460002       3.13670004      -1.10925620      -0.91228273      -0.91824510 
O       3.36490002       9.58127000       1.02747002       1.54352601      -0.86387924       1.56216451 
O       7.38057996       5.23699005       7.60961002      -0.92148627      -1.38865640       0.81734560 
O       3.44118004       8.97346996       8.91436997       1.22283645       0.48147960       0.86858566 
O       9.03350999       7.07041001       0.46885404       2.88329065      -1.25245584      -0.70527660 
O       3.95655997       1.78101995       1.07164995      -1.89100337      -0.46972035      -0.22051287 
O       1.66392998       3.43837001       0.32160402       1.53638910      -0.17868121       0.05225114 
O       7.87754994       8.69474997       5.68499997       0.80951476       1.40560620       2.37024983 
O      10.38829995       8.47416998       6.10181996       0.54385051       1.24803184       1.53707656 
O       5.72346002       7.51133997       5.73660004      -1.73889417       0.76378010      -0.25382721 
O       2.09957998       7.12959000       0.59570305      -2.25343788       1.22291779      -0.21822340 
O      10.53330001       1.13414995       8.73558996       1.57530200       3.55573722       4.95735504 
O       7.13621004       8.44490998       3.44695998       0.23523106       2.17178538      -2.17970341 
108
Lattice="11.05065583 0.0 0.0 0.0 11.05065583 0.0 0.0 0.0 10.72083067" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00995589329722917 -0.0020057739691616405 -0.0002597048381546325 -0.0020057739691616405 -0.010902642688218661 -0.02138719695765517 -0.0002597048381546325 -0.02138719695765517 0.0006141009469409929" pbc="T T T" energy=-1036.39764135 free_energy=-1036.39764135 config_type=crystal 
Hf       1.65876997       1.93548004       2.12560998      -0.32671835      -1.81194974      -4.29453036 
Hf      10.45290000       7.03652996      10.24029999       1.44160606      -4.11712271      -0.04200046 
Hf       1.49080000       9.02018998       7.88249997       2.28630663      -1.46928458      -1.36361373 
Hf       6.64431998       3.18668005      10.38920000       0.96625815      -2.41640963      -1.71221163 
Hf       8.48991995       4.98979998       2.10306000       0.51714063       0.76497242      -0.08985563 
Hf       3.65680004       7.47256000       4.76537996      -1.42889729      -0.95543018      -0.82867373 
Hf       3.52024996      10.57350000      10.44659997       3.53844730       6.79792800       3.51185739 
Hf       7.65561997      10.41039995       4.91681995      -2.57957109       1.87101360      -0.38696911 
Hf       5.55055999       1.48943005       2.61241996       2.42339707       2.35937615      -1.86185029 
Hf       5.52626998       1.47154003       7.87431001      -0.55723105      -3.46682790      -3.04754647 
Hf       1.67882005       9.46676003       2.28084997       0.13714712      -1.75054577       0.66246476 
Hf       3.68239004       0.07762025       4.73192004       0.76695894      -0.85109400       2.66468538 
Hf       3.40059003       3.52921005      10.33149995      -2.44140139      -2.53006334      -0.91749850 
Hf       7.24677002      10.50150001      10.43960002     -10.70888251      -1.05767303      -5.06065767 
Hf       9.06970996       1.11496001       1.90386997      -2.71133938       0.23720345       1.31262672 
Hf       5.73515998       4.81249000       6.61169998      -0.97086508       2.11636716       1.23151982 
Hf       3.45561997       3.41722005       5.00695995       0.15484263       1.99098597      -3.96304956 
Hf      10.98490001      10.35429997       5.02803999       1.24306962       0.70582254       1.14924452 
Hf       9.30611996       1.05817003       7.40870004      -2.44966234       4.64705883       1.37400984 
Hf       5.46511002       9.01945003       2.20991002       1.71111071      -1.19743456       1.06806128 
Hf       3.36446002       7.13261995      10.45450004      -0.36247384      -0.69034944      -1.17497745 
Hf       5.19338997       5.23290005       1.94713999       4.80061738      -2.86314684       2.11982752 
Hf       8.68986002       5.01981003       7.61066001       3.28806474       0.01509488       2.66894130 
Hf       0.10104001       7.09759998       4.85999001      -1.75441485      -1.57095366      -0.41359137 
Hf       5.11216003       8.98572995       7.50182000       2.08220722      -1.26001288       2.36037708 
Hf       7.77800002       2.81428997       4.77340997      -1.22043558       3.86599084       4.67917410 
Hf       7.42013005       7.11345999       5.02058001      -1.58057263       0.36664809      -0.99490297 
Hf      10.88909999      10.95579567       9.98319003      -1.61637216       2.43872004       0.40156297 
Hf       0.06428730       3.34029997       4.49195997      -5.50807512       1.17135827      -2.06288192 
Hf      10.60630001       3.54975001      10.59419997      -2.41643747       0.45099425      -3.11806876 
Hf       1.80136995       5.20378002       7.32364001      -1.18511320       1.06522682       0.52490493 
Hf       8.80689000       8.76994004       7.42940004      -1.18216866      -2.04374026       1.20943183 
Hf       1.98482001       1.68732000       7.04881998      -9.18713150      -2.16829496       3.72010706 
Hf       6.66413999       6.70471004       9.77614999      -0.81855250       0.24522121      -1.46362330 
Hf       9.05101004       8.48745997       2.10946999       1.11681947      -0.10425541       2.95568545 
Hf       1.50788000       5.39733005       2.02743001       0.26942612       2.03964846      -1.17284194 
O       3.70701996       9.12045999       1.34590005      -3.75591796      -0.64121467      -1.45648040 
O      10.42670000       5.04814004       1.19436004      -0.09330252      -0.65770571      -0.23707725 
O       3.48260004       1.65065005       6.05624002       1.41729394       0.11618790       0.10222890 
O       7.15698001       1.73102004       8.58641996       2.65426583       1.18794458       4.28023470 
O      10.46140005       5.55691003       6.16012005      -0.34513218       1.36789823       1.12602797 
O       0.06928352       8.57218999       6.46003003       1.02260863       0.80769433      -0.88334408 
O       3.48295996       9.51227005       3.73657003      -0.07802010      -2.15758360       0.06705513 
O       7.14428999       0.98534399       6.53045999       1.33221277      -0.61635715      -3.53846935 
O       8.79974001       3.58811004       8.93869005       0.61224938       0.67318983       1.32217939 
O       1.67696001      10.99468813       8.16875998      -0.62444192       0.44381362       3.78992078 
O       3.47956995       5.78156997       1.79165997      -5.62624083       1.82135636      -2.11505197 
O       7.28637004       9.08584005       1.17431005      -1.55303227      -0.97019471       1.91791834 
O       5.45276003      10.77059994       9.06756001      -2.26383253      -0.77534145      -1.79097111 
O       3.95609998       1.82532003       3.67635005      -0.28544528      -2.75667067      -0.95699124 
O       9.23303998       2.76176001       6.34334998      -1.91704472       2.29325624      -2.28642946 
O       4.09999001       4.76585004       3.83058003       1.49656104       2.21256456       0.15526142 
O       3.25015999       8.28542005       7.20817998       0.21780004       1.68521743      -3.09166226 
O       4.84979005       3.37346001       0.92582403       1.60253132      -0.99770018       2.55578099 
O       4.55077997       4.94348005      10.00559999      -0.89806724       3.11861075      -0.87537069 
O       7.18492999       7.05323999       7.40162000       1.08037821      -0.97955732      -0.69618149 
O       2.06508998       3.07924005       8.40964000       1.41437436       1.48512445       0.44265241 
O       5.21296002       7.05120004       0.55772002       2.67578360       0.65438840       4.08136454 
O       8.82194000      10.62630004       0.38255097      11.23932126       1.45688896       4.19860226 
O       2.00545003       7.57098996       3.24059996      -0.78400262      -0.94209264       0.15253923 
O      10.68159995       2.00935998       2.95699003       0.74144521       0.33795448       0.82870376 
O       0.06161923       4.99065995       9.24053997      -0.15438880       0.39047018      -0.00881885 
O       4.66012002      10.61810001       6.53448995      -0.78742661       0.20788541      -0.04053911 
O       5.29698004      10.77430003       0.76543601      -0.79536076      -1.98743485       2.62703404 
O       5.05539999       6.75191999       6.00226000       1.54413608      -0.64174064       0.70653399 
O       7.49540999       1.43074001       3.60486999       0.17732667      -2.25159141      -2.49699829 
O       7.78633995       5.15071996       5.84709002      -3.72314767      -1.60659262      -1.30250741 
O       6.81459997       1.27315998       0.68486403       1.62747452       1.94460780       1.37339731 
O       8.79515995       6.51607004       9.13022005       0.56456217      -0.18950218      -1.82542084 
O       4.70685999       2.30435005       9.45327995       0.69992045       0.62917730      -1.58775841 
O       9.14566996      10.41890000       8.62381003      -0.11524483       0.19742452       0.49874572 
O       6.89433001       8.67680997       9.36984005       1.36645884       0.65877815      -0.42858404 
O       6.97498002       4.91255004       0.52195801       0.51326420       2.13377844       1.27912001 
O       9.14395998       4.01113003       3.99462000      -0.65648540      -0.97868047      -1.99816880 
O       5.96388999       3.40906997       3.03755997       2.20334750      -2.16582843       0.16740254 
O       1.48499995       0.26417300       3.08246996       0.68616840      -1.76437525       3.00892574 
O       1.52205998       3.78796005       0.82548295       0.05978691      -2.02127133      -1.25410266 
O       1.10050995       3.77584002       5.93969001       4.68796157      -2.35410842       2.68716971 
O       1.77721001      10.59620004       5.97750002       0.62417259      -0.73264659      -2.99068091 
O       1.85256996       6.21418005       5.40169000       1.02912328       1.71807732       1.45300726 
O       6.54388996       4.56093000       8.61764995      -0.43166062       1.09485028      -3.21693973 
O       6.98639004       9.21012998       6.39635998      -1.08600678      -0.09951686       1.06160930 
O       6.91265996       5.68155004       3.17002998       1.66714883       0.94419723      -0.20436170 
O      10.57620001       1.70793002       8.87917003       1.23780530      -2.28799384       1.49374467 
O      10.42918584       1.41687000       0.67694702       4.50035182       0.04179315      -3.07257493 
O       3.64908005       4.74589002       6.37200997      -0.28364240       0.69196715       4.33491480 
O       5.67410997      10.88130000       4.25080003      -0.41745776       0.49708000      -2.89556577 
O      10.88155085       1.16269000       6.14078996       4.14968902       0.88015947      -1.24138567 
O      11.00860002       8.91827995       1.49582004      -2.87883064      -1.75492214      -3.40727219 
O       0.34479405       5.01802004       3.47697005      -0.15090144       0.51042367       2.22262446 
O      10.77804886       8.92170002       3.68357000       2.21712127       0.50852607       2.02325504 
O       4.76232997       7.36235004       9.11844997       1.16760571       0.84964056      -3.03512223 
O       1.29976996      10.80290002       0.68376096       1.57169960      -0.70828639      -2.13118612 
O       9.42848000       6.95711995       3.44106995      -1.35740346      -1.43385147      -0.95619840 
O       5.33340996       2.94680999       5.74327003       3.75041188       2.10370882       1.74860231 
O       1.34840998       6.59888996       0.25120804       0.26626916       0.67052613       1.59644671 
O       5.41746003       7.52033000       3.76980000      -2.57013680       0.93133108      -1.68147109 
O       2.16170001       6.74026000       8.54320000      -0.77767599      -1.02613512      -0.20623503 
O       2.83881005       9.11865000       9.69298004      -2.86478058      -5.06367556      -2.64881890 
O       8.84956001       6.76306005       0.69374602      -1.02854130       2.77899822       2.82428738 
O       3.08989001       1.56080999       0.45609405      -1.53548581      -0.57579365       1.59691139 
O       2.32651004       3.28281004       3.21799005      -3.11695441       1.42179616       1.61825200 
O       9.29173996      10.67789997       6.10115001      -0.60253849      -3.59137591      -0.72099421 
O       9.00430997       8.25510998       5.52052001       0.16337476      -1.53923521       0.30564022 
O       7.31674001       8.78479002       3.79813000       0.39559941      -0.34674807      -2.26072634 
O      10.69450004       8.47094996       8.90585000       1.12439213       1.53457744       0.66148510 
O       8.61085004       2.94353004       0.85884499       0.29352017       2.25418152       1.50842887 
O       8.97558003      10.59679998       3.39274999       2.02592911       0.53463626      -1.92268460 
108
Lattice="11.04833825 0.0 0.0 0.0 11.04833825 0.0 0.0 0.0 10.71858227" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03779240129578603 -0.004518127699545071 -0.002002268731395035 -0.004518127699545071 -0.013463923552466308 -0.014278910466548235 -0.002002268731395035 -0.014278910466548235 -0.0012080409143865596" pbc="T T T" energy=-1040.42683325 free_energy=-1040.42683325 config_type=crystal 
Hf       1.72686996       1.44556999       2.15991995       1.40377884       1.02079655      -2.58149569 
Hf      10.54389996       6.53160003      10.00740005       0.92460545       1.57122596       1.96778910 
Hf       1.80931995       8.77040999       7.19560004      -1.63916863       1.21627137      -3.61181084 
Hf       7.22770003       3.00597000       9.90353002       2.55413613      -0.93810208      -0.98257063 
Hf       8.94441999       5.31382003       2.25952999      -0.08759041       0.03235119       1.70917671 
Hf       3.79296998       6.93862003       4.71724002      -1.94200821       1.80931025       2.92500984 
Hf       3.28914001      10.79779994      10.24040005      -2.36156362       0.88743751      -0.50385901 
Hf       7.29177995      10.88239994       5.03392996       1.93151962      -2.38813652      -2.13335917 
Hf       5.08216997       1.37217002       2.36964005       2.84443364      -1.12788926       1.07457434 
Hf       5.25195000       1.43719999       7.65599006      -0.46092378      -0.45845304       0.67988340 
Hf       1.89303995       9.17852997       2.00960995      -0.61634112      -4.54847751       1.85984467 
Hf       3.69199005       0.02926174       5.12450005      -0.91198481      -5.38647137       0.44954744 
Hf       3.26329000       3.76850001       9.85785996       0.18842150      -1.36196344       0.67199547 
Hf       6.86847999      10.83659994      10.43689996       0.97222138      -2.25082611      -1.41891206 
Hf       8.93434998       1.10859998       2.15219003      -0.60763199       1.52185384      -0.81882530 
Hf       5.58287005       4.82838997       7.51860002      -2.39894687       5.10267764      -2.17751331 
Hf       3.76226002       3.26027999       4.80554002      -2.94358307       1.03436814      -0.77255457 
Hf       0.27095795      10.80659995       4.69395004      -2.57849360      -0.33526808       1.21503689 
Hf       9.08950003       1.38731995       7.10701996      -1.05997125      -2.43555437       1.40743951 
Hf       5.44702996       8.69230995       2.59620998       3.28411850      -0.72677804       1.14951438 
Hf       3.07993995       7.00153005      10.29370003       0.53623803      -0.71794971       0.57301095 
Hf       5.28992999       5.15424005       1.67780005       2.15228901      -2.19870792       0.46724274 
Hf       8.75885995       5.03192997       7.18219999       5.59519964       1.37999443       2.39543016 
Hf      10.80500004       7.00613996       4.89429996       2.22829285      -1.21321033       1.53896441 
Hf       5.23143003       8.70583996       7.98846000       2.29533148       0.20769487      -2.73706424 
Hf       7.37723995       3.43728000       4.51917005      -1.04712617       0.08191272      -0.80681106 
Hf       7.24327995       7.09208002       5.07787004       1.19582711       2.87266899       1.39171603 
Hf      10.75279995      10.66520000      10.48530004      -0.20306578       0.00598471      -3.51015262 
Hf      11.02401876       3.10789004       4.31544003       0.70180608       6.10379732       2.94801382 
Hf      11.01050001       3.37828000      10.32850005      -1.45239969      -1.44647947      -1.03892945 
Hf       1.74583002       4.85324000       7.06443000       0.27237808       0.47154308       2.72860238 
Hf       9.16002997       8.77537003       7.52796002      -2.88023786       3.40752182       0.93917733 
Hf       1.44302998       1.60647998       7.69624005      -0.27484615      -3.57562928      -0.81091336 
Hf       7.27812994       7.20959003      10.25029995       0.40491870       0.89102744       3.05033735 
Hf       9.20148996       8.86770000       2.34266995      -3.89352374      -3.92115209      -1.31088169 
Hf       1.69449005       5.21148999       2.07741999      -1.15877863       2.22229060       2.22552142 
O       3.07629997       8.31721997       8.52560000       1.92028604      -0.42072885       3.44284357 
O       0.14557998       5.02060995       0.96586603      -3.09238506      -1.12499192      -1.72269661 
O       3.49988000       1.17661002       6.72356000      -2.00199741       1.16377049      -0.31321859 
O       6.16584004       3.10296999       7.89765003      -0.54214913       0.17713402       1.41270112 
O       0.23400701       5.45201000       6.34676003      -3.97619079       2.17270579      -2.86490311 
O       2.03737003       7.06736002       6.34152004       1.76505627      -2.10642406       0.46837819 
O       4.69835998      10.58680000       3.42398004       3.02583247       1.93557482       0.52340730 
O       7.62977005       1.81013996       5.81980998       0.32215079      -0.43790373      -0.42446349 
O       8.71144004       2.44940996       8.52931999      -1.08200749       4.15967754       1.97142650 
O       1.47957998       0.24356205       0.42325302       1.27493512      -2.50081736       0.42773840 
O       3.26866004       4.75890001       0.80289395       1.33386354       1.32355700       2.41815972 
O       7.09812003       8.04370996       1.54606996       2.20126481      -0.34388520      -1.60169620 
O       5.07747000      10.51929995       9.42469000      -2.45619932       0.22256292      -1.40191468 
O       3.59394997       0.81245999       1.24013000       1.23093225      -0.52798110      -1.92178829 
O       9.75773999       3.74595997       6.14570998      -0.90888414      -3.09852327      -1.49952625 
O       3.60112995       5.00020003       3.97332003      -1.80811324       2.83271103      -1.11517180 
O       3.68507003       8.55601997       3.36062004      -2.81199720      -2.47044766      -0.30201479 
O       5.45907000       3.70426000      10.63302397      -1.07893743       0.45760398       1.22432130 
O       3.75716000       9.05631999       5.92783003       0.52087020       1.36209009       1.00761330 
O       7.40009001       4.97613001       8.60940998      -2.03850859       0.59253772       2.03868517 
O       1.45747004       3.39322000       8.56896995       0.70848110       0.78905511       0.16730682 
O       4.55205004       6.78284996       1.11596005       0.51427278       1.33316727       0.72933193 
O       8.62868003      10.43349999       3.26804997       0.16712533       2.47886161      -0.36316258 
O       3.04377995       8.82772004       0.50805705       2.27749432       3.91773336      -2.65669993 
O      10.23909995       1.54483997       3.78970997      -0.68122723      -2.71448829       3.03934830 
O      10.11489995       4.65474003       8.89827996       0.82373071       1.97834012       2.22276758 
O       5.75673002       0.20745398       6.17486999      -2.71765550      -0.40014873      -0.13477420 
O       5.95880003      10.01179995       1.34830997      -0.55275381       4.39382426      -2.77829224 
O       6.82426001       8.85598998       6.74345005       1.08214325      -0.64739460      -1.58320310 
O       7.12474001       1.69154003       3.35100997       0.20910391      -1.57257006       0.12713863 
O       7.33641004       5.68210998       0.93738000      -1.77756982      -2.72953169      -0.97075290 
O       6.95761997       1.51067995       0.80246102      -0.63591174       0.70302815      -0.01306017 
O       8.62532001       7.29785001       8.83558000       2.52238353      -1.24665510       1.67003669 
O       3.50531998       1.81058996       9.16546999       0.86396002      -0.47656768      -0.17159219 
O       6.79799999       1.25741005       8.80513998       0.41050519      -3.03948922       3.98858819 
O       7.10745997       9.42029004       8.99886999       1.45080410      -0.64048466       1.81504650 
O       7.24583002       5.22635995       3.45318003       1.05765439      -1.63488745      -1.80059479 
O       9.22487001       3.58248002       3.52338996      -2.26680416       0.67941639      -1.08158042 
O       5.21540000       3.39607003       3.35495001       0.80561975      -1.53920784      -3.60332410 
O       1.78195996      10.71510004       3.20380997      -0.23385982       0.56551609       2.57421862 
O       1.96310001       2.73691998       0.61758499      -1.73241119       1.51087395      -2.96785495 
O       1.69884000       2.73013995       5.70788998      -0.10863579       1.58643213       0.65843346 
O       1.73005001      10.45139996       5.88755003       2.28126246       2.53233478       0.79475138 
O       5.12509000       6.83216996       6.54228005       0.86562737      -0.26813723       0.83436803 
O       5.59091998       7.63654997       9.56674005      -2.60892175      -1.52779993      -0.21135493 
O       9.08387996      10.34109998       5.66115996      -1.09935912       0.61841053       1.52768491 
O       7.40062000       5.18647004       5.88337000      -3.57653609      -2.66910190      -0.31655463 
O      10.62690005       1.59941004       9.51502997       2.96768608      -0.25332292       1.01144998 
O      10.92269997       0.84170097       1.99165997      -2.19060047      -0.26163775      -3.88450957 
O       3.58373003       4.78974995       6.71672005       2.01043266      -1.86961438      -1.64257184 
O       3.37344999       1.46606996       3.51168002       0.69728058       2.55051620       3.34013927 
O      10.81030003       1.05153996       6.47150997       5.04473124       0.72601734      -1.12365525 
O       8.91438000      10.51890000       0.61814203      -1.40120296       0.61276764       0.88794512 
O       1.44292999       7.33088996       4.01611001       1.88422244      -0.76793830      -2.29683849 
O       0.17092000       8.98102004       5.10512997      -2.18482572      -0.22316365      -2.56995341 
O      10.84519997       8.55703995      10.11020004       0.25720775      -0.54905843      -1.16762788 
O       1.52093999       5.66202996       9.86811004       0.26567021       1.45001744      -2.45141164 
O       9.05184000       7.08647995       3.72005998       0.59524162       0.63022214      -0.28986614 
O       5.36950001       3.32467998       5.71433002       2.46353841      -0.26327713       1.76374266 
O       1.63555003       7.22561995       1.31510005       0.63477223      -2.25779466      -0.33219781 
O       5.70471002       6.69577005       4.12695998      -5.68558848       0.30156940      -3.60418831 
O       4.16830004       5.49049003       9.08527002      -0.43052536      -1.16520786      -0.16594813 
O       1.35216005      10.86140004       8.69448005       2.17645559      -0.63352710      -0.29049513 
O       9.42250004       6.92767003       1.21461002       1.68318574       0.72411036      -3.09904584 
O       1.62040000       3.34388000       2.94886002      -0.90977298      -1.57604507       1.75845044 
O       0.09257922       5.21178996       3.42619000      -1.42148099       0.11979659       1.44564936 
O      10.88907126       8.09007000       7.12353001       1.66079022      -0.24252146       2.19941178 
O       8.84663004       7.03482996       6.39536002       0.64436248      -1.00609316      -0.86850105 
O       6.95210994       8.83760996       4.08904996      -0.80012246       1.86931944      -0.36274331 
O       9.50540003      10.71549999       8.37132005      -0.37361429      -1.48551468      -0.04219849 
O       9.13280996       2.85877001       0.57649498       0.10257280       1.13860113       0.39214847 
O      10.93910002       9.35275994       1.83525002       1.49590915       0.27334744      -0.02346077 
108
Lattice="11.04613604 0.0 0.0 0.0 11.04613604 0.0 0.0 0.0 10.71644579" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007922532981202768 -0.001080191283240575 0.003488579353510437 -0.001080191283240575 -0.022095370654156538 -0.007700201781648668 0.003488579353510437 -0.007700201781648668 0.002811422630640349" pbc="T T T" energy=-1038.53517516 free_energy=-1038.53517516 config_type=crystal 
Hf       1.92097000       1.85289996       1.88703000      -1.66009126      -2.18543780       0.65521572 
Hf       0.05239900       7.06109997      10.19990003       0.87125099      -1.48576204       3.56416815 
Hf       1.74325005       8.83147005       7.24131996      -1.94590659      -2.27404669       0.81292076 
Hf       7.37286998       2.97141004       9.88556996       0.13863703       1.92049048      -0.11259256 
Hf       8.70114000       5.52849996       2.20583998       0.38376122      -3.48908380      -0.26865923 
Hf       3.40995004       6.93687998       4.62831999       0.32152499      -1.73042447       2.79876555 
Hf       3.73595995      10.09989995      10.23790001      -2.17913577       3.15994054       0.39046048 
Hf       7.21530999      10.63459998       4.48377003       2.52956562       3.00345121       0.98440502 
Hf       5.81873000       1.33103995       1.82671999      -0.34951512       1.84024745       0.31376435 
Hf       5.26993996       1.34540998       6.97690999      -0.32608480       0.66606194       3.25551276 
Hf       2.10486000       9.13405000       2.83864000      -6.62864039       0.91970114      -5.41999435 
Hf       3.33889997      10.73930001       5.07622005      -2.51598634       2.55548840       0.48116746 
Hf       4.03293996       3.16286002      10.20250005      -3.52419413      -1.47532514       2.32853210 
Hf       7.38576005      10.74309999       9.90606001       1.75973001      -2.13340761      -0.06726559 
Hf       9.35224996       1.82890996       2.24535002       0.28116930      -0.38169059       1.01930284 
Hf       5.41908997       5.07948005       7.52262999       1.77019119      -3.73814646       0.63730643 
Hf       3.49284996       3.14310997       4.56813000       4.10294035       1.66399148       2.88397804 
Hf      10.91359997      10.52299998       4.41628996      -3.51390548      -0.43329080      -0.46426564 
Hf       8.91670998       1.61596995       7.44819999       3.01776215      -0.90344513      -2.44114271 
Hf       5.31485001       8.91988001       2.27556000      -0.80924322       1.45791550      -3.70154155 
Hf       3.69505998       6.68959997       9.97238999      -4.55190271      -1.76152706       0.42732312 
Hf       5.13978996       5.17410998       1.82093997       4.95001025      -2.02147246       2.04964824 
Hf       8.98310002       5.14934995       7.60306002      -0.38653313      -3.75680684      -1.02417883 
Hf      10.22299996       6.63702003       5.13152999      -1.18105628       1.40657584      -1.82129014 
Hf       5.25100003       8.54654005       7.35157997       2.07718805       1.89116586       2.76586821 
Hf       7.25903005       3.38819003       4.78505004       3.01142496       1.69700338       1.15704271 
Hf       6.67897005       7.44000000       4.88391997       5.44546658      -5.88051463       0.11387977 
Hf       0.05546397      10.64619997      10.44100002      -0.39872503       1.27277844       2.84537339 
Hf       0.09592332       3.33526998       4.77651996      -5.68277354       2.48858519       0.98561654 
Hf       0.28606897       3.65404004      10.64509998      -5.65618603      -2.49777272      -6.94930896 
Hf       1.87053003       5.35140002       7.41770002      -2.52816326      -2.13561524       0.29961035 
Hf       9.41724995       8.95996997       7.74670005      -4.38229054      -0.21653598      -1.14723163 
Hf       1.70385997       1.48010005       8.55146001       0.04446214       1.49131728      -1.51128631 
Hf       7.23935997       7.01445004      10.02480006       1.82302090      -0.83011853       0.20658068 
Hf       8.82675997       8.70355005       1.88661999       3.40620998       1.71303663       0.66107621 
Hf       1.30579997       5.74506001       2.48877998      -1.98179058       0.00020915      -2.51098748 
O       1.56375995       6.71211000       8.74938998       2.24722326       0.43048893      -1.17088970 
O       9.41898000       3.34218995       0.96257399      -0.20967968       0.27183463      -2.03364335 
O       2.53595004       1.57395995       6.43160000       1.07824665      -1.48065760      -0.33694153 
O       5.37074998       2.94644003       8.91016999       3.38262149       1.20119860      -1.70515719 
O      10.64559994       4.90646994       6.35221000       1.56355252      -0.68899073       2.24453294 
O       0.92238605       7.21094997       5.92918002       5.08224310       1.15345507       4.56435917 
O       5.93218995      10.71960000       2.87797996      -1.23365540      -1.62606177       0.11739199 
O       6.95640005       1.82032998       6.24932001       0.16788196      -1.46706128      -1.99018354 
O       7.13015997       1.39725999       8.55588001       0.55522307      -1.78468843       2.36136146 
O       2.23691998      10.82208505       0.99657202      -1.03406956       1.55556156      -1.79092067 
O       3.75357003       4.78458997       0.56866005      -2.07501584      -0.58299061      -1.33653682 
O       6.98821999       8.57779001       1.10984999      -0.75279485      -0.55736613       0.42451957 
O       3.52068998       8.50612003       8.97575003       0.41097477      -0.77504664      -0.21362196 
O       3.78162998       1.88153000       1.53312999       4.43463190       0.09742046      -0.39835753 
O       9.29914003       2.71231000       5.74220997       0.12939699      -0.37850511       0.48444612 
O       4.07481995       5.52892998       3.42000997      -2.88500916      -0.20275474       0.34770857 
O       3.73317003       9.41191997       3.71650005      -0.17231019       2.10606124       0.88066606 
O       5.75688998       3.39684998       0.97859100       1.19570632      -1.63706613      -1.56211030 
O       3.56483995       8.95881995       6.24998004      -0.55133845      -2.21080761       1.04419106 
O       7.05195001       5.04966995       8.91655003       0.65603285       0.45038001       2.22058257 
O       2.05822001       2.53414996       0.00925419       1.18777320       0.04150042      -0.48168719 
O       5.48699001       6.93699000       8.75746000      -0.08788517       0.47588859      -0.42109217 
O       9.00358000      10.83849994       2.86675995       0.31745726      -1.76774298       0.72930006 
O       3.25666005       8.93115999       1.35880000       6.06170854      -2.04016419      -2.68101644 
O      10.86871599       1.76966003       3.63638004      -0.78246737      -0.96943027       2.37668795 
O       9.18074997       3.12143999       8.92530997      -2.28022975      -1.06281898      -1.48325167 
O       5.33655998      10.57479996       5.61563996       0.38577815       1.49963009       0.24028115 
O       5.51190999      10.64179996       0.43677800       0.24066435       0.77941639      -0.51927967 
O       7.20010002       8.47184994       6.60703004      -2.74202278      -0.06203322      -1.17671633 
O       7.38195995       1.64705996       3.26796996       0.14758775       1.16625929       1.31241762 
O       4.88137997       6.70553998       0.75032299       2.02077245       5.48317442       0.10250162 
O       7.55530995       1.47336997       0.73647102      -0.45684639      -0.88174939      -2.56680888 
O       8.95089999       6.91336000       8.16986002      -0.58852710       2.32435000       1.41462249 
O       3.66126002       1.28284997       9.24614996       0.11916026      -0.97188707      -0.26557789 
O       5.32529005      10.34269998       8.28941001       0.24827796      -0.11184670       0.37471046 
O       7.56363001       8.79655001       9.12312999      -0.73597345       2.13568518       0.42803645 
O       6.80984003       5.39460996       3.60669999       0.51197868       0.78142718      -0.34140695 
O       9.64882005       4.08852003       3.26287997      -1.29980486      -2.68885415       2.24009602 
O       5.59322004       3.43332002       3.98622999      -4.62642607      -1.66317184      -1.15084341 
O       1.70126004      10.96399995       3.45513998      -1.06779795       0.66768031       1.70456449 
O       1.18852005       4.22830004       1.31428002       3.78169237      -0.66046175       5.37861269 
O       1.82414996       3.53160003       8.53343998      -1.52562157      -0.30889477      -1.29086716 
O       1.30054997       9.84801005       5.61779997       1.75361472       0.47702598       1.71981432 
O       5.35994001       6.51405996       6.20125997      -0.75168006       2.08155564      -0.94197577 
O       3.55487998       5.03479998       8.59912997       2.70612518       1.52844850       0.16808326 
O       8.68635000      10.67530002       5.72754998       1.16755471       1.13878060       0.97806547 
O       7.26487003       4.10934995       6.80642998      -1.78207749       0.81085166      -0.61578812 
O       0.15306399       1.65411999      10.07720005      -0.97162177      -3.21029630      -3.13809212 
O       0.11946396       1.01565995       1.60545003      -1.85187350      -1.62010540      -2.55679545 
O       3.17924000       5.32053005       5.80912003      -1.43242632      -0.45396275       1.01448354 
O       3.70922996       1.35411003       4.03640000       0.89159926      -0.76785549      -0.34644471 
O      10.91723901       0.82724701       7.18214997       0.31411305       0.97062077       0.58216091 
O       9.10617000      10.08270001       0.31406998      -0.00153556       0.39995380       1.20628931 
O       0.41949104       5.39133003       4.23975999       1.38636030      -1.07347589      -1.85831450 
O       1.81719995       7.33108996       3.64446003       1.68984569       0.40944292      -0.78170733 
O      11.01569996       8.36369004       8.66884999       1.09549429       3.19606805      -0.16533949 
O      10.65199996       5.02733997       9.30209999       0.39022937       2.17423879       0.84858963 
O      10.77910001       8.60499001       3.81281003       0.62566198       3.39266431      -1.52558529 
O       4.63341996       3.16286002       6.37789003      -0.12240042       0.32679378       0.30893472 
O      10.54840002       5.91580996       1.57454005       1.67707731       0.81985467      -0.42501677 
O       4.99773003       7.88847003       3.85374997       3.85663082      -3.54304577       1.21515624 
O       2.01579004       6.67616002       0.58358302      -0.37795855      -0.16273107      -0.83484446 
O       2.08308994      10.44840002       9.11157005      -3.77821077      -0.16220821      -1.79388960 
O       9.17062994       7.41143999       0.17749799      -1.84778849      -0.31778101      -0.05622305 
O       1.70600999       3.40865002       3.70493004       3.50182330      -0.59732482      -1.41533553 
O       8.83521999       6.93387002       3.40543003       1.10224051       2.27578829       0.08310972 
O       9.87963999       8.39448999       5.97084995      -0.44894952       1.53406016       2.34733357 
O       8.46828999       5.86064004       5.62663000      -1.00970980       0.84397699       1.29917132 
O       7.63754998       8.80909002       3.88429998      -1.57313262       1.46049858      -1.52253534 
O       9.35479002      10.84840004       8.92113999      -1.16974623       0.43606399      -1.88008871 
O       7.18482995       5.77779004       0.94824299      -0.90031491      -0.49142887      -0.83621315 
O       0.31107499       8.46989003       1.10411005      -0.69024631       2.26563196      -1.34945667 
108
Lattice="11.04406316 0.0 0.0 0.0 11.04406316 0.0 0.0 0.0 10.71443477" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005870812454686394 0.0010260114513337432 0.0064205911860475955 0.0010260114513337432 -0.011021250903775514 -0.008855008671213785 0.0064205911860475955 -0.008855008671213785 -0.002614168429139021" pbc="T T T" energy=-1042.46759042 free_energy=-1042.46759042 config_type=crystal 
Hf       2.00958005       1.66190002       1.97752005      -3.12009260      -2.65884965       2.42951601 
Hf       0.13387105       7.35760005       9.94651998      -1.37102405      -0.10152308      -0.17727628 
Hf       1.91921002       9.20244001       7.31329999      -0.25346817      -3.18541026       4.79037802 
Hf       7.31483004       2.72741997      10.05700005      -1.29712074       1.28109182       0.83303402 
Hf       9.06277005       5.07405997       2.22636001      -2.88880446      -0.97461857      -1.21550645 
Hf       3.52207002       7.52293000       4.90987998       0.70676425      -4.03632500      -2.41696590 
Hf       3.54784996      10.46479995      10.02620002       0.70378914       4.79016825       1.04096549 
Hf       7.38870996      10.34430005       4.79431998      -1.41575432      -1.61720493       0.22211398 
Hf       5.39540002       1.32950995       2.32824003       0.12244148       5.67766687      -3.91530407 
Hf       5.66191999       1.39705002       7.48336003      -2.58769452      -3.33581266       1.76906147 
Hf       1.72442002       8.87772003       1.86610000      -0.04788944      -1.40502810       3.75373783 
Hf       3.43548998      10.76500001       4.79328004       2.30904386       2.54134214      -1.86210256 
Hf       3.65018999       3.28855998       9.94112998       0.32525968      -3.99732432      -1.70758060 
Hf       7.00629999      10.60200001      10.18260001      -0.34609201      -1.83331056      -0.69428129 
Hf       9.34774995       1.13917004       2.77359001      -0.33223879       0.47979692      -2.27302386 
Hf       5.42549001       4.81614001       7.09178998       0.39625066       1.18711108       1.65155310 
Hf       3.45699995       3.49163999       4.46619995       2.99299595       1.65776004       2.66929456 
Hf      10.69750002      10.53569996       5.38949998       0.67474577       3.90170616      -4.86639434 
Hf       8.99771996       1.63146004       7.30790999       2.06819931      -1.95188350       5.64549268 
Hf       5.33376995       9.08885005       2.34754005       1.34195046      -7.54299673      -2.81693523 
Hf       3.62454004       6.64757999      10.29759997       0.05922498       1.03887962       0.23946619 
Hf       5.48255005       4.99047000       1.88321995       4.21861858      -1.24634461       0.18608765 
Hf       9.01689997       5.22978005       7.81053998      -0.24368981       0.72815024      -0.70748104 
Hf       0.05023845       7.19473005       4.54180004       0.13271467      -1.40371503      -0.50234070 
Hf       5.16013000       8.69375001       7.53842001      10.67273758       0.81132141       6.89872558 
Hf       7.51502996       3.13796005       4.94585006      -2.41043154      -0.45435028      -3.96134521 
Hf       7.50188002       6.85023004       4.54641003      -0.73411766       3.46101104       1.27785360 
Hf      10.76890000       0.04860338      10.34140004      -2.35229462       0.91564197      -0.94000311 
Hf       0.04701005       3.26743998       5.08895001       2.37515007       1.42931644      -2.14570816 
Hf       0.02933447       3.70699999      10.34379997      -2.42660284      -2.18784403      -1.07544301 
Hf       1.74960004       5.11732995       7.60609003      -2.37709760       0.30055892      -0.41670848 
Hf       9.08805996       8.65385996       7.60161997      -1.88159772       1.73856289       0.19244256 
Hf       1.92825996       1.62206000       7.54698996      -4.02324466      -3.31502789       1.88062978 
Hf       7.11929998       7.24957000       9.96555996       2.26474292       0.71738961       1.09329366 
Hf       9.41114000       8.57222004       1.80646999      -4.40147765       0.83493529      -1.30753006 
Hf       1.56493999       4.82465995       2.10874005       0.92197692       4.31785543       0.41260922 
O       1.78791002       6.94136002       8.95209004       2.77304090      -0.79490870      -0.67433920 
O       7.29148995       5.24104996       1.02504997       1.99387884       0.83158618      -0.33172890 
O       2.99762998       1.33078001       6.12797996       3.58851022      -3.52090219      -5.12202258 
O       5.68474001       3.08705001       8.74396000      -1.35407457       1.19912028      -1.03916333 
O      10.93519995       4.09837000       6.84042998      -0.86915765       2.52795059       1.73328696 
O       1.71490004       7.12396996       6.09285001      -0.40533847      -1.61343475       0.53446274 
O       5.03851002      10.67270002       3.20728001      -2.17449403       0.69789756       4.14999229 
O       7.34481003       1.41636996       6.31156998      -1.17125794       0.06559861      -3.02795444 
O       7.06083006       0.94394204       8.79277004       2.53113463       3.63464060      -1.59627501 
O       3.77777995       1.80284005       3.50622003      -0.96105265      -2.39289257      -0.81350828 
O       2.05609003       4.31803995       0.18768304      -0.52257061      -1.05025674       0.67149566 
O       7.46330001       8.99377005       0.55695700      -0.50660775      -0.57850500       0.69983148 
O       3.81600003       8.77285002       6.47426996      -6.96866823       0.82258968      -6.54890707 
O       1.60710998       0.43220599      10.57859995       0.96052589      -1.23096262       2.88308192 
O       9.39653997       2.53970999       5.71514004      -3.30056928       1.95088053      -3.08238286 
O       1.72440003       7.09404000       3.43632998      -0.46216277      -1.06563310      -0.42527447 
O       3.25784998       8.80438005       3.37214998       2.63501951       1.37971044       0.88513603 
O       5.72524002       2.67232997       0.78055997       1.09335051      -0.30876410      -0.77501436 
O       2.05719001       9.54864002       5.42120999      -3.73028030       2.43852733      -1.09546128 
O       7.20928005       5.81854999       8.52777999      -0.85071954      -1.10319690      -0.25170527 
O       1.91899996       3.16547004       8.48542005       0.99101558       6.62574087       4.04651203 
O       5.09532995       7.13108996       1.55339997      -0.24932348      -1.84611311      -2.54133916 
O       9.19504004      10.43609996       3.80793005      -0.00603177       2.20673505       2.70580850 
O       3.34904998       8.84278004       0.85107102       0.39964003       1.42502609      -1.71608184 
O      10.95770002       1.56933001       3.81493997      -0.67484221      -1.40966324       2.45201707 
O       8.20964996       3.37811000       8.05697005       1.70315887      -1.45585831       0.34360445 
O       5.39115998      10.73950004       5.85764995      -0.19047160       0.30455613      -1.17195221 
O       5.22782006      10.90129998       0.56324305       0.05478726      -1.08860521       0.90119537 
O       7.13512005       8.39585000       6.18584006       1.61416514       2.44646800      -1.53834472 
O       7.11444004       0.90140495       2.91616003       4.71253304      -1.07476608       3.53081648 
O       4.84015003       4.54642002      10.61150002      -0.43724789       6.57501281       1.22996380 
O       7.81208997       1.15799995       0.35877499       1.78142289      -0.66264115       1.25016809 
O       9.16389998       7.18260996       8.89096997       1.19918699      -0.78579880      -4.18917593 
O       3.70586002       1.24205996       9.09257996       0.12844197       2.25467373      -2.17093706 
O       5.34999004      10.45450003       8.53048999      -0.73472811       1.47727857       1.36847762 
O       5.22321004       7.71632005       9.46695002      -1.16539083      -2.38924116       1.48116835 
O       7.06115000       5.30500006       3.64602004       0.32710220      -1.77647674      -0.59070794 
O       6.00861003       3.23092996       3.17930998      -1.11632033      -0.62853886       2.02988068 
O       3.70844003       4.99429997       2.47420996      -5.87394842      -1.60830546       0.20031617 
O       1.74510003      10.87280000       8.35249002      -0.46807108      -1.21037553      -1.67752872 
O       0.08739244       2.33168998       1.59799998       0.73913615       0.66463510      -2.91013798 
O       2.08865002       3.51491005       5.99097995      -0.48069124       1.47466652       0.12730384 
O       9.21117001      10.54270002       9.02185001       1.61934460      -0.27161560       0.07789183 
O       5.33663003       6.86945997       6.93144996      -0.57626997      -3.94468807      -1.46288052 
O       3.59833005       5.23882999       8.25611003       1.15986203      -0.77944918       0.80309007 
O       7.23048001       8.99312000       8.77383999       1.82934382      -2.08073179      -1.27760812 
O       8.85596996       3.30506998       3.21216997      -0.03547195      -0.72539780       0.49259102 
O      10.81480001       2.00139000       9.14496004      -0.74542908      -0.88882412       1.49959142 
O      10.77799997       5.24752995       1.20171997       0.64720246      -1.38276028       0.42585001 
O       4.05651002       5.33980995       4.78126005      -0.11691574       0.86613926       2.93009285 
O       3.32755006       1.98403005       0.69033596       0.46504892       0.33720707       1.44759355 
O      10.99339996       1.21743004       6.60526003       1.99215869      -1.64910518      -0.14967997 
O       9.72661002      10.57899998       1.58097999       0.42378866       2.73926801      -2.58721746 
O      10.76730004       5.20403998       4.07201997       1.08812878      -1.96667199       0.03302780 
O      10.73099997       8.78143999       3.21963000       3.03755180      -1.42300998       0.21751723 
O       0.20646501       8.83491998       8.40673999      -1.67705494      -1.04812088      -0.15018014 
O      11.03640222       5.36864003       9.12906004      -0.58766563      -0.90420508      -1.14782075 
O       1.71924996      10.91599996       3.08274003       1.77842238      -0.10109176      -1.59940472 
O       5.23394001       2.86182997       6.29015001      -1.71280868       2.74898107      -2.98119369 
O       9.16294003       7.22938002       0.17907003       2.08364613       0.46468912       5.21457638 
O       7.19182005       4.46783997       6.21235003       0.66808996       2.44169830       0.02822907 
O       1.76049004       6.70081005       0.80433305       0.33164210       2.04573608      -0.06498561 
O       3.45064001       9.06610999       8.87584998      -2.74154389      -3.71770729      -3.34535251 
O       9.12729002       6.80084000       3.18894997      -0.05546759       2.14961098       0.10912000 
O       1.74845003       3.31255001       3.56574996      -1.47102229       0.62352927      -2.86934606 
O       9.00682005       6.52667003       6.03202995       0.75475554      -0.65376958       1.34163213 
O       8.95904995      10.49760004       6.20313005      -1.71782364       1.13529362       2.09256074 
O      10.48669999       8.72206004       5.72735000       0.12573492      -2.31183296       2.55825529 
O       7.37682003       8.99202001       2.95408002      -0.12380275       0.24110162       2.66343073 
O       9.04105996       3.66885004      10.40559997       1.65278790       0.76069209       1.13536801 
O       5.55904001       7.47843005       3.96796995      -1.43514580       1.84481032       1.33886322 
O       0.16355297       9.19100001       0.50204702       1.01101028      -2.51992658      -0.69251373 
108
Lattice="11.04214987 0.0 0.0 0.0 11.04214987 0.0 0.0 0.0 10.71257859" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04100407256423249 -0.001998554559110441 0.007436756675459785 -0.001998554559110441 -0.013859126897578058 0.004159859620640397 0.007436756675459785 0.004159859620640397 0.01387591244397217" pbc="T T T" energy=-1045.69789118 free_energy=-1045.69789118 config_type=crystal 
Hf       1.45683003       1.37387003       2.10748002       1.92269758      -0.89904009       1.14173270 
Hf       0.29157702       7.06642999      10.15970005      -2.30428273      -1.01335995       1.49331008 
Hf       2.19696005       8.88426004       7.40178001      -1.56695320       0.74329930       1.48146984 
Hf       7.20418004       3.41531995       9.83752996       1.07373397       1.08439077       1.73367632 
Hf       9.10147999       5.23763995       2.05819005       1.02166150       0.97745132      -0.99967557 
Hf       3.41020997       7.03047996       4.80714002      -1.81468696      -0.84283145      -2.82911677 
Hf       3.72758002      10.76129997      10.02519999      -2.24858582       1.71724128       2.82144577 
Hf       7.32819001      10.63010001       4.80872998      -1.59815396      -2.71958745       0.67037594 
Hf       5.34114001       1.37456005       2.07199996      -3.91834025      -2.69017745       1.49415458 
Hf       5.07416998       1.75040999       7.09664003       2.20272161      -1.42234607      -1.34108732 
Hf       2.12519005       8.76928001       2.01537005      -5.05033250       2.43411910       0.60893486 
Hf       3.91453002      10.48159999       4.82837996      -0.44648551      -0.25722657      -1.54014168 
Hf       3.64811000       3.30813005      10.05980001      -3.58718312      -0.51556425       1.26372028 
Hf       7.58356998      10.92920005       0.01719583       2.69129619      -1.68772256      -3.14144310 
Hf       9.04017994       1.62238995       2.17141997      -0.00923357      -1.54248392      -3.50098853 
Hf       5.02024995       5.08516001       7.43834001       4.55424844      -0.45393453       0.76807810 
Hf       3.22635995       3.16940001       4.80823002      -0.09916240      -0.53473215      -1.14934436 
Hf      10.82959997      10.64739997       4.68477002      -0.90356222      -7.63789790      -5.46511056 
Hf       8.40808996       1.53961999       7.30399999       3.04549235      -1.05603705       0.32386620 
Hf       5.66328999       8.87855997       1.82497004       1.64970729      -0.03508949       0.45600144 
Hf       3.96689002       7.09430005      10.22280003      -0.16675099      -0.77758919       5.46958026 
Hf       5.05367001       4.92658999       2.18333996       1.95387093       6.89156737      -2.13303327 
Hf       9.25236998       4.93386997       7.37335001      -3.04687302      -1.18136521       1.00065955 
Hf      10.55820005       7.27005000       5.17308995      -4.36375011       1.00993000      -3.32087189 
Hf       5.68712999       8.87615002       7.65074998       1.15550423      -2.47693762      -5.23645831 
Hf       7.28054004       3.29326003       4.37199004      -2.84237726       3.26541967       0.49854583 
Hf       7.05157002       6.79573997       4.76024003       1.66861668       1.18334080      -0.75369391 
Hf       0.31217803      10.68650000      10.13510001      -1.65955558       1.06973505       2.67193111 
Hf      10.89140001       3.17002996       4.85103995      -0.98267751       0.29835194       0.19146994 
Hf       0.07484248       3.38581996      10.20190001       0.11646271      -0.60799338       1.31949261 
Hf       1.76053995       5.16454998       7.53426001      -4.63668305      -1.69806012       1.96153644 
Hf       9.27679996       9.15307996       7.77756998       0.44725889       1.86468219      -0.67984835 
Hf       1.74275999       1.17096003       7.27429004      -2.20084511       1.32003992       3.80275803 
Hf       7.54428002       6.77150002       9.68241000      -2.84720011      -0.75836265       3.36504975 
Hf       9.02092000       8.62561004       2.12825995       3.09961893       1.48561631       0.31310622 
Hf       1.63951997       5.10247995       2.26695999      -1.13473093      -0.16465973      -1.04651808 
O       1.19236999       7.11530995       8.02833999       1.85364353       1.15823419       0.63012727 
O       7.53428003       5.33356995       0.55912204       1.34494768       0.71884713      -2.56223482 
O       3.51791996       1.30078005       5.60905002       2.65164101       0.57830705       0.81389339 
O       5.33342000       3.95358004       0.00725734       2.88652666       2.81951504       1.66206400 
O      10.89709997       5.13344998       6.41058004       1.76062497       0.15066283      -1.48307846 
O       1.35074998       6.98820994       5.31391998       6.07190730       0.47607201       1.54414014 
O       5.47379996      10.65180004       3.33239996      -0.13212674       0.20676403       1.30107951 
O       7.12318996       1.62078995       5.59739002      -0.27384864      -1.68247701       0.06590439 
O       7.04924995       1.92366000       8.56324003      -2.64312268      -1.53088380      -1.07508007 
O       3.43596005       1.35325997       3.00384999       0.94097281       0.24897384       0.66298726 
O       1.92373000       3.14100004       0.78365105       1.16249719       1.06436777       1.02910945 
O       7.21623001       8.59402000       0.61278799       1.68318659      -1.36447395      -2.85438067 
O       3.89624997       8.56199997       6.32047000      -1.15653898      -1.43519640      -0.42793020 
O       1.97845998      10.94940001       0.52812905       2.84929021       1.01399090       0.37333706 
O       9.50398999       3.06994999       6.58005999       0.66944403      -1.04928119      -1.81244496 
O       1.92122001       7.02243994       2.70434001       0.23152920      -1.87309305       1.76467777 
O       3.73345997       8.60480995       3.46084999       0.83519142       0.86997216       3.34837136 
O       5.07747997       3.27271003       2.83906997      -0.83638300      -3.93403924       3.60302351 
O       2.30497999      10.60370000       6.42173001       0.13795205      -4.27150840      -2.86054526 
O       7.15095003       4.69316005       8.22483996      -0.47632909       0.99526350       1.30965997 
O       1.80056995       3.09065998       8.90425997       0.14793919      -0.96149870      -0.46171928 
O       5.44808997       6.73793001       0.99955900      -1.11874379       2.75885249      -1.26690684 
O       9.04241995      10.78987992       3.91796997      -1.20742894       0.65621493      -0.77449340 
O       3.78175005       8.95895002       1.05366995       2.08458452      -0.27412131      -3.51028751 
O      10.72989996       1.37757997       3.10350997       1.81337038      -0.23496515       2.54249500 
O       9.29460996       3.40129002       8.94965002      -0.22235420       0.52772385       1.08235250 
O       5.40876998      10.67410000       6.28730000      -0.32461706       1.32008242       1.40269744 
O       7.74322997      10.60060002       1.80700997      -0.90921629       1.15269346       2.77670460 
O       6.54575000       8.72540005       5.62708004       0.35620559       1.16552954      -0.62450331 
O       7.01700003       2.05746998       2.48910995       3.81529617       1.22822178       2.96334320 
O       3.41020997       5.47589995       1.26244996      -0.34198994      -0.84975917      -1.93094717 
O       8.09636002       1.71235996       0.23423996      -2.04169688       0.27056865      -1.19402579 
O       9.20488995       6.27167004       8.98415995       1.03743256       1.47862081      -0.45691924 
O       3.82155004       0.88297701       8.42310001       0.18314851       0.63032604      -0.59947525 
O       5.44089004      10.62250003       0.33626602       2.56261172      -0.19781156       0.79770166 
O       5.39645997       6.85896003       8.88638004       0.99314307      -0.05341673      -0.68271158 
O       7.26151000       4.99040003       3.15775997      -0.92755308      -0.12441304      -1.59942542 
O       5.58013001       3.46350005       6.01395003      -2.41174499       0.72551909      -0.03468058 
O       2.83478996       4.82460999       3.91371000       2.06841731       2.90180368      -0.33239007 
O       2.10043996      10.38860002       8.82410000      -1.71999737      -3.10069057      -0.82971155 
O       0.10671101       1.61008999       0.79061101      -2.30058771       0.16010290      -3.44258389 
O       1.90353005       2.90196996       6.37569999      -0.33387292       3.82923065      -1.02362176 
O       8.93803001       0.16656895       8.57786002      -0.45529879      -2.60587594       2.88552996 
O       6.24118002       6.51607997       6.56222001      -2.95467149      -0.25350045       1.66174760 
O       3.36967005       5.01702994       8.75384005       1.39827890       2.67640750       2.72150344 
O       7.44408002       8.74437996       8.48412003      -0.93021322      -0.79898525       1.58446589 
O       9.05306999       2.88054996       3.92784000       2.14109560       0.13293885      -0.26005715 
O       0.18124000       0.92959200       8.55937000       1.29494646       0.89238093      -1.20468756 
O       0.02854473       5.24643999       0.80914099       1.31755209      -1.76346170      -0.09967447 
O       3.34336996       5.19036001       6.43798003       1.50393640       1.20476980      -3.80747218 
O       4.55752004       1.84897995       0.43927496      -2.40685269      -1.30885635      -2.78353962 
O       0.43722099       1.02310995       5.48045001       1.89439136       7.00287762       5.08268251 
O       9.82515997      10.55859999       0.73510796      -4.03468951       1.03401094      -0.64044947 
O       0.07785014       5.21108999       3.46975996      -3.28035467      -1.48318516       1.74091543 
O      10.74770001       8.71935999       3.73312999      -0.29326306      -0.05045616       0.53672277 
O      10.62339997       8.95073996       9.44197003      -1.04997800      -1.95277065      -2.72998200 
O       0.42829496       5.04780000       9.20088999       0.59943076       2.24995876      -1.44990652 
O       1.58870002      10.51410002       3.24623001       0.24410717       0.43059328       1.41542374 
O       4.95841998       2.99234996       8.57505997      -0.37242988       2.37127346      -1.68605632 
O       9.81529999       7.02449003       1.18507997      -2.47698872       0.95632926      -0.81247406 
O       7.89740996       5.01933996       5.38542001       1.55031397      -1.23465155       2.19889130 
O       1.97050002       7.48192003       0.28448002       1.78233638      -1.24855718      -3.33243763 
O       4.22059004       9.12450001       8.99094005      -0.47832847      -2.03667789      -0.26640808 
O       8.90344003       7.13517003       3.70895995       1.03985287      -2.69238626      -0.13052373 
O       1.48409001       3.03968997       3.84590002       0.18779294      -2.00635109      -1.72934633 
O       8.83418996       7.67643998       6.28457997      -0.62765414      -2.47151512       1.18978085 
O       8.54683005      10.66429998       6.43075996      -0.53028716      -0.37461638      -1.53788325 
O      10.60051390       8.99852995       6.33690995       4.65611873       2.49085889      -0.19597326 
O       7.27818000       8.52308004       3.09588004      -3.38574046       0.24001488       1.36530681 
O       9.26823004       3.37825996       1.18639997       1.10147927       2.03791042       1.51789984 
O       5.04392995       6.21542994       4.03370995       0.99488359      -0.03505219      -0.59470389 
O       0.31462000       9.11427994       1.16072996       1.63239702      -1.94444294      -0.18643117 
108
Lattice="11.04034327 0.0 0.0 0.0 11.04034327 0.0 0.0 0.0 10.7108259" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03260594392141064 -0.006663538389836927 0.01020482348683639 -0.006663538389836927 -0.04345249575869981 -0.00993381643657548 0.01020482348683639 -0.00993381643657548 0.00845366037312233" pbc="T T T" energy=-1038.11167716 free_energy=-1038.11167716 config_type=crystal 
Hf       1.95261995       1.41123000       2.13845998      -0.46753168      -0.84674278      -0.76868315 
Hf      10.75780002       6.87547004       9.80726995       3.19056087       5.02324705       5.02872274 
Hf       1.58625996       8.95204998       7.56389999       3.84904788      -3.65469619       3.03694537 
Hf       7.12337002       3.72146003      10.27010005       3.27104454       0.05416409      -2.22014847 
Hf       9.40316999       5.33599000       1.78919998       1.58398178      -4.75314602       4.26712261 
Hf       3.01949999       6.89806996       4.89633999       2.11861702      -1.41009576       0.20916460 
Hf       3.73195995      10.76099995      10.15409998       1.71663423      -1.61150144      -0.21892598 
Hf       7.86281998      10.57759998       4.67330996      -3.55095878       0.00690305      -2.07115656 
Hf       5.34143996       1.78460999       1.92243002       2.33543911      -0.88657796       0.18310037 
Hf       5.02740998       1.21682998       7.56252997       5.18138238       1.09478015      -2.35770338 
Hf       1.96928005       8.71098000       2.06634003      -2.07213617      -3.47280262       0.88477585 
Hf       3.69608998      10.27920003       4.52663002       1.35916875       0.37415531      -0.38662874 
Hf       3.90948999       3.55899001       9.98836002       1.69405539      -3.38078790       1.95081252 
Hf       7.28766004      11.03094098       9.98387004       2.03711820      -0.81740861       2.51487798 
Hf       9.38309004       1.56300005       2.24718001      -2.96775231       2.46516086      -2.46377466 
Hf       5.62906000       5.61214995       7.61884996       3.65903225      -2.00132496       0.48767114 
Hf       3.69520996       3.12936002       4.79385999      -0.68627942       0.92722566      -1.99234697 
Hf       0.41744399      10.72450003       4.83921005      -0.98132573       0.08671000      -2.06760739 
Hf       8.82935997       1.46156999       7.18514002      -0.69506015      -2.48010021       2.98241575 
Hf       5.54864004       8.12095998       2.22759001      -7.66147514       3.35521046       4.04119183 
Hf       3.61151996       7.23753998      10.24590001       0.65108670      -0.41953963      -3.64101078 
Hf       5.47287999       5.05597996       2.38740004       1.47755000       0.22867788       0.62373410 
Hf       8.94812999       5.23841004       7.51738994      -3.58735284       0.24594305       0.38775390 
Hf      10.91299998       7.04277000       4.83913004      -1.02234503      -0.75386854      -0.03461627 
Hf       5.24434003       8.74989003       7.36267999      -1.68868479       1.35162861       1.69769487 
Hf       7.29850001       3.04969003       5.03865002      -2.83256434       1.37766962      -3.79759691 
Hf       7.26090002       6.86733000       4.95342998       3.58654769      -1.03846267      -2.11617301 
Hf      11.02161576      10.81779998      10.13810004      -2.47797128       0.78808411       0.41480379 
Hf      10.55910001       3.29006999       5.29233004       2.70563099       3.41035516      -3.14443318 
Hf      10.79760002       3.29975999       9.69025996      -0.09792273       1.76843559       5.90814122 
Hf       1.82475997       5.14129002       7.76228002       2.72678935       2.09502483       0.62355573 
Hf       9.15704000       8.92961997       7.60172003      -0.58659839       1.74015495      -1.28268671 
Hf       1.59214005       1.39793997       7.38495005       0.93475183       1.17218704       0.17908721 
Hf       7.44863002       7.32621005      10.32560001      -1.74550897     -11.44453180      -5.09329522 
Hf       9.48417995       8.80810002       2.22156003       0.23550253       1.42071653       0.06482014 
Hf       1.83331999       4.84874996       2.42532996      -1.15218656       1.20806961      -1.24299582 
O       1.45014004       6.30585998       6.02770000      -0.66608546       1.68084434      -0.21737746 
O       7.05408999       7.71278999       1.41844999       4.16754585      -0.56295594       2.66320724 
O       2.17617995       3.42297000       9.42509997      -5.88214837       1.66728239      -3.74765366 
O       5.56353004       3.65580995       0.71100797       0.04217183      -0.47330218       0.72598426 
O       0.16705673       8.95367997       5.86172001      -1.83597232      -7.43451832      -1.33153838 
O       1.54815002       6.73943999       3.45313000      -1.21234710       0.69803263       0.62929421 
O       2.12082996       0.75695199       4.54333002      -0.52049167      -1.18780437       1.84011358 
O       7.25048003       1.65255998       3.38622000      -2.32462837      -2.16970427      -0.62715884 
O       4.14022003       0.93143898       3.43329997       1.15663112       0.09524188      -1.50348623 
O       2.34603000       2.93173997       3.21047999      -1.43580028       1.85980039       0.09442963 
O       2.30252001      10.46889996       1.50866995       0.74248237       3.49261188      -2.03828552 
O       8.90678004       6.22286001       3.85414996       3.39605303       1.03763186      -1.41512141 
O       3.29050001       8.15796004       6.42039005       0.14658874       3.08212377      -0.17898163 
O       0.01398149       8.91711005       0.83931296       0.37303853       1.28914261      -0.46688372 
O       7.22822999       5.10681997       6.12748002       1.02816832       0.73372551       1.22952328 
O       2.43604998       7.10787004       0.98475505      -3.17210459      -0.25504245       0.87513915 
O       3.77452997       8.19234000       3.55206997      -0.34427707       2.20133341      -1.35280221 
O       4.82456995       3.41099001       2.99198996       0.29755780      -2.85206098       0.94538545 
O       3.32184001       2.21224003       6.41514999      -0.48412802      -2.75029216       2.59039335 
O       7.18217001       5.46611005       8.99051003      -0.67675509      -1.96525373      -0.23674888 
O       0.08115668       5.29967997       9.01794002       0.38969017      -6.23674911      -3.90355260 
O       4.61740001       6.35699996       1.03795004       4.10880197      -0.49919773       2.77366848 
O       9.17498001      10.81999999       3.19619999       0.10263087      -2.58253757       0.39283520 
O       4.21448003       5.25330004       9.26646000       0.06016594       2.74754878       0.19882209 
O       0.16131697       1.23560000       3.05299004       1.59009092      -0.80151227      -0.67111342 
O       6.83652998       1.21703003       6.14869003       2.61220124       0.68971385      -2.69535291 
O       5.91670996       9.69916005       3.93967001      -0.51717092       0.02704117      -0.28899817 
O       4.31519004       8.84476997       0.69533204       0.31683016       0.90497091       0.56129876 
O       4.38911000      10.68200000       6.54423001      -1.48892159      -1.57947448      -3.35435577 
O       3.80626002       1.57985005       0.51310501      -0.66567627      -0.87154737       1.87405062 
O       7.82464998       5.49378003       0.60318305      -3.33780836      -3.59664540       0.60637714 
O       5.29747003      10.42210006       8.70305995       0.60915070       1.42629425       1.98757210 
O       9.51464997       6.84091995       0.64752105      -0.72214236       6.28665838       0.57226064 
O       3.69227996       1.58003001       8.76112998      -2.99488417      -1.45598883       2.90586828 
O       8.98525999       6.71231000       8.97643996       1.55534448       2.90444200      -1.14450976 
O       5.75653997       7.35582997       8.74838999      -0.70459242       1.47993160       2.23271792 
O       7.48349995       4.27770995       3.43310996      -2.24568898       0.98632543      -1.09423671 
O       5.31506999       3.54224998       5.66910005       2.33695462      -0.38645307      -0.12794689 
O       3.47433001       5.15171000       4.06774996      -0.79486052      -1.46155817      -0.66343868 
O       1.73813998      10.43389997       9.26433004       0.76187530       2.61851349      -0.41255698 
O       0.59107900       1.82870005       0.07087557       1.30589104      -3.52894082       3.41774677 
O       1.43274995       3.74949996       6.49942994      -1.00640264      -2.14956523      -0.79190633 
O       0.03495671       1.82130997       8.60326997       0.59754917      -1.84019656      -3.12157024 
O       6.08694002       7.27362004       6.32188001      -3.00618253       0.23781995       1.89427997 
O       6.03246001       3.10277995       8.48600003      -1.70719455       0.57772354       1.73767865 
O       7.75440005       9.01039996      10.43339998       2.60702080      10.08261703      -1.98683755 
O       9.23194995       2.37232997       4.11633995       1.48939684       0.72433576       2.22111618 
O       8.86598995       3.45278003       6.25296002       0.22056368      -2.29299343       2.54829019 
O       0.03495671       8.73037998       8.83854997      -3.12318706      -0.53960408      -0.50687792 
O       3.92902997       5.84956999       7.04205002      -5.90237173      -0.65858272      -3.02239316 
O       5.76823998      10.97209507       0.45034503      -0.83243643       1.53796315       1.33227248 
O      10.96009300       1.57923002       6.22454999      -0.57208578       0.24158562      -1.71581749 
O       9.26820997       0.16170603       0.67590795       0.90994625      -1.76209977      -0.86863077 
O       0.19819801       5.39558004       0.90552300       2.63348932       0.56219227      -0.54852695 
O       0.03968275       8.77475001       3.36305002      -4.21028183      -2.06720047      -1.06933596 
O       1.88663999       7.05942005       8.78976998      -0.99461883      -1.69672345       0.16580797 
O       8.81181995       3.30289004       8.90800004       1.96278807       0.47744490      -0.89655241 
O       1.82962004       9.52308998       3.85928998       3.34874910       2.23975948       3.54955238 
O       7.23751999       0.87531695       8.29886005       0.64830826       1.00746278       0.77859977 
O       9.90705005       3.42172001       1.05584001      -0.73465056      -0.42941335      -0.42630655 
O       8.86074004       7.37567002       6.51017001       1.14924060      -1.81603113      -1.01350763 
O       3.14919002       4.04776003       1.03050002      -1.96647470       1.65930283       1.35207537 
O       3.41615998       8.87906999       8.98738996       0.84191898       0.62004733      -0.65927025 
O      10.43980004       5.31068002       6.35069995       0.17175360      -0.45673065      -1.84781330 
O      11.01710004       4.59673005       3.28612005       0.48989429      -1.06637016       2.29145035 
O       7.21007999       9.14875003       7.16412998       1.63898499       2.09494945       0.97735807 
O       9.25430002      10.69519995       6.06849004      -0.04903038       0.25905059       0.44266131 
O       0.76397000      10.47660005       6.83107996       3.35269184       8.15892865       1.88250913 
O       8.35746997       8.62914996       4.16435004      -0.52966281       0.70029373      -0.54386239 
O       7.85468998       2.14523000       0.78861605      -3.09037557      -0.04954493      -1.80517533 
O       5.55315996       6.55628997       3.97205002       1.01239290      -0.03444683      -3.50052464 
O       9.57384995      10.93360004       8.60400998      -0.46340157      -0.80256211       0.92006015 
108
Lattice="11.03874789 0.0 0.0 0.0 11.03874789 0.0 0.0 0.0 10.70927814" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.003969430315881439 0.009554128484509216 -0.00521464607680287 0.009554128484509216 -0.012033166874182365 0.008223289023791503 -0.00521464607680287 0.008223289023791503 0.007884612424123572" pbc="T T T" energy=-1039.47643043 free_energy=-1039.47643043 config_type=crystal 
Hf       2.20902996       1.15957995       2.40198999      -4.67269606       2.59755347      -6.22613840 
Hf      10.97410001       7.38073998       9.88866000      -2.71179605      -3.42056769      -0.94762085 
Hf       1.67246999       8.41135998       7.29498003      -2.29933140      -1.17774854      -0.66424075 
Hf       7.69613997       3.08620000      10.31749998      -0.03614098       0.55195875       0.18640052 
Hf      10.01080004       5.69006997       2.03803999       0.38141281      -1.77315397      -6.32454328 
Hf       3.66628995       7.49684001       4.56809003      -0.79157508      -1.52930985       0.26428887 
Hf       3.27774998      10.58319996       9.75478995       0.65937859       0.19823836       0.56203018 
Hf       7.14576996      10.31040004       4.97451999       1.32130559       2.15493032      -1.51101867 
Hf       5.36887000       1.76664000       1.90514995       2.29368850      -2.52513922       0.79146169 
Hf       5.47189000       1.27369003       7.25156001      -3.03814193       0.60511479       1.88530516 
Hf       1.70736998       8.58763995       1.97712005      -1.48107627       1.84576597      -3.89507095 
Hf       3.06938997      10.77579995       4.75866003       3.61786584      -1.02245112       0.64644528 
Hf       3.58599002       3.26084999      10.45729996       1.76077353      -0.28419624      -1.44690564 
Hf       6.87226997      10.94959996       9.99643999       5.13704415      -1.51869327       4.01344437 
Hf       9.26293999       1.83394004       2.12297003      -1.37134735      -0.45035201      -1.36978889 
Hf       5.83735005       4.67400996       7.47089995      -2.01865093      -0.04458247       3.53477801 
Hf       3.90645999       3.44297001       4.91424999      -1.66911613      -1.59288398       2.46120913 
Hf      10.54180002      10.34010002       4.83121004      -0.11586319       0.05153573      -0.17995870 
Hf       9.19298005       1.39429001       7.58781004      -1.22045576       1.73551726       0.93344373 
Hf       5.52329999       9.16154004       1.99301005       3.12016960      -1.38114299      -4.07222793 
Hf       3.89110002       6.90653998      10.57419998      -0.95735448       1.76898852      -3.01114501 
Hf       5.82218005       5.81010001       2.35940005      -2.95436163      -2.25731346      -5.39581136 
Hf       9.24412003       5.19166001       7.42473996       3.59499136      -1.92411940       0.97230416 
Hf      10.73830000       6.73487001       4.56855000       2.37212380       2.23656438       6.02059690 
Hf       5.22154996       8.18894996       7.76575005       0.21212041      -2.95299597       3.40279136 
Hf       7.16998003       2.98179000       4.36343005       2.40863492      -0.78325917      -0.34051843 
Hf       7.35109995       6.72600005       4.88348995       0.09610649       1.11816679       1.68550499 
Hf      10.86769995      10.65119997       9.96876004       1.37276563      -5.20963046       3.28381364 
Hf       0.02069401       3.16084004       4.63202003       0.35033870       0.34780497       1.09153831 
Hf       0.49022704       3.92791998      10.28099997      -1.39879650       1.46476000      -0.70954909 
Hf       2.13539003       4.99197999       7.70360004      -2.03928780      -0.52326532       0.11605447 
Hf       8.48034995       8.48729001       7.59951003       4.23903424       0.78539801       1.99554829 
Hf       1.71223001       1.51670001       7.04194003      -0.29282429       2.37658578       3.48854294 
Hf       7.30676999       6.38127000      10.12960001       2.74307775       2.06188988       0.28559002 
Hf       9.22719995       9.29809995       2.06650997      -3.10384445       0.40572088      -4.07809360 
Hf       2.25997997       4.77456998       2.73893997       0.36058474      -0.51623563      -3.57308969 
O       1.14967003       6.34684003       6.18530005       0.97761258       1.28807645       1.34484885 
O       9.77993997       0.04871267       0.80305396      -0.16675591      -1.14406260       1.07329463 
O       2.20407003       2.86763997       8.86710003      -4.02227218      -1.97536886      -1.75953223 
O       3.46793999       1.29703003       0.28642104      -0.56910742      -1.28196594       1.46271231 
O       0.38042296       8.63868003       5.49426996      -0.55669513       0.90306944      -1.45341630 
O       0.65175295       5.15278000       3.86166000      -0.33833763      -1.27071020      -1.13660919 
O       1.23433005       0.08602419       5.51187997       1.28953006       0.08873593       0.32953864 
O       6.43945998       1.24303002       3.78571001      -0.13584231      -1.49664648       0.94195440 
O       5.66257002       3.14716005       6.18969996      -0.59818215      -2.57674324      -3.00844122 
O       3.51024003       5.48958003       1.11837002       2.04980546      -1.41847980       3.78766761 
O       1.76365998      10.27010000       2.98104998       0.05555528       0.71435157       2.51232839 
O       5.91849997       6.34606003       6.52469999       0.53751157       2.57727559      -1.51140184 
O       2.94731997       8.88365998       5.80794996       1.02524787       3.25759827      -2.52766334 
O       1.78055997      10.08219998       0.36282199      -0.05841950       2.97307131      -0.61131197 
O       7.71686996       4.52186003       6.53140004      -1.21951166      -0.38209815      -2.34634991 
O       0.05264467       8.66031002       0.66686996      -0.22565151       0.62959022      -1.43980589 
O       1.96744001       7.31804000       3.42468996       3.30403677      -1.36697716       2.53500463 
O       6.46771995       5.17966995       3.95654998       2.95673480      -4.08264060       3.35281033 
O       1.59283999       3.48719996       6.27563999      -0.15452816      -1.86077343      -0.29039412 
O       7.31534003       4.70698999       9.03255002       0.35674392      -0.38010559      -0.49861601 
O       9.56838998       3.28491005       8.35654997      -0.70099561      -0.85005974      -0.57199549 
O       7.40128000       9.48631998       1.21755004       0.65385977       1.48677083      -1.62719861 
O       8.86309998      11.02220003       3.38666999       0.49960111      -2.18956031       1.34553112 
O       6.07080996       7.31107996       0.65668597      -4.09845310       1.18637760       3.80333393 
O      10.89061087       1.27732995       2.87347003       4.79813266      -0.28551871       1.55861850 
O       7.86663000       1.09833003       6.01145998      -1.49283770      -1.48071971      -0.00310392 
O       3.85059002       0.81761202       3.13437000       1.08774053      -0.74779218       2.04179984 
O       3.61831004       8.57095996       1.26260997       0.62675749      -2.13779112       0.21909997 
O       3.32703004       1.55690997       5.93110998       0.33041014       0.28447059      -1.60806589 
O       4.16824997       8.74216001       9.49160998      -0.62098950      -0.24243489      -1.17878967 
O       7.10784005       5.21439001       1.01024005       1.23393130      -1.76475822       0.76327325 
O       5.38056003      10.66309996       9.02950002      -1.24065668      -0.12393525      -3.57717523 
O       8.92381001       6.18755995       3.59606005      -0.40074447       0.56540500       1.04117904 
O       3.62294002       0.91142305       8.31277997      -0.60235565       0.54451435      -2.09236412 
O       8.97210000       7.57760004       0.60849101       0.33472637      -1.92410376       0.60061462 
O       5.17639000       6.35699999       9.16506995       1.03533238       0.32707656      -1.17336934 
O       5.56338996       7.22295995       3.76685997      -1.33571748       2.05994975      -0.27833601 
O       4.63859004       3.86937995       8.94185004       2.41332955      -1.32513988      -1.39094135 
O       3.75950997       5.22447004       4.14990000      -1.47568742       3.16061697      -0.66499436 
O       1.61980003      10.11530000       8.49926995       1.78877209      -0.34177137      -0.62365734 
O       6.94184996       3.00155996       2.30495001       3.34734030       1.14043195       2.48560173 
O       2.18526001       2.70561002       3.73114003      -1.59069830       1.74547008       1.38929147 
O      10.81520000       0.74339200       8.61147995       0.97549642       4.25528850      -3.32588330 
O       5.08274003       0.06585209       5.80680996       1.91097414      -3.41236099      -0.93466790 
O       5.63287005       2.86234998       0.39122182      -0.94308079       2.13741084      -3.06052351 
O       7.09533999       8.06036003       9.09356003      -1.23675592       2.87442576      -2.71861350 
O       9.24700004       2.66105002       4.21820003      -4.66645265      -0.03420554      -0.46016062 
O       9.15515004       6.95314999       6.03710003      -1.31098812      -0.09176333      -0.01729829 
O       1.88457003       7.13003003       9.80507997       0.48165878       2.06456922      -0.59440293 
O       3.73443998       4.69173002       6.77707998       3.14178817      -0.94945838      -3.02416706 
O       5.41578998      10.87689998       0.99746195      -0.72153014      -0.61219417      -0.21917418 
O      10.59339998       1.64851005       6.22168997       1.09573812      -0.32838250      -1.14901777 
O       9.64554001       2.53223004       0.12264704      -0.20643750       0.49429840      -0.12233292 
O       0.29713097       5.42519996       8.73919998       0.31754400      -1.18741673      -0.85555735 
O      10.79079995       8.20245996       2.80474003      -1.61638869      -1.19972071       3.80740146 
O       2.57386996       4.77768997       9.72177999      -1.71634289       3.26153860       1.27165719 
O       9.90522998       5.16389999      10.55239996       0.13655704       0.71208128       2.40193048 
O       4.40991002       3.25113004       2.83504996      -0.27553304       1.92687770       1.48815300 
O       6.99350997       1.84735002       8.42641998       1.73296986      -0.39514356       2.30304979 
O       0.97477895       5.82230997       1.45499005      -0.87900363      -0.42381361      -0.40023066 
O       9.19881999       6.87480005       8.63180005      -1.15075806      -0.64726095       0.37816493 
O       1.95388001       2.95634999       1.19797005      -1.60184528       2.42389498       0.05299747 
O       3.58462000       7.25978996       7.21026000      -1.14652817       0.15363841       0.21555984 
O      10.33940005       4.52459996       5.78128996      -1.39374704       1.24315800       0.80136010 
O       9.99095999       3.75774002       2.19964996       0.72560662       1.45570091       0.52161901 
O       6.85236004       8.55658001       6.49546998      -2.09592691       1.99224866      -2.54054239 
O       8.93033004       9.50048998       5.71161005       0.36919198       2.30871787       0.07590255 
O       8.65833000      10.49870000       8.69632003      -1.06332412      -0.29191035       0.08605572 
O       7.53692005       8.74953997       3.44972001      -0.61246384      -0.23542020       2.67714638 
O       7.43382002       1.32017000       0.57205001       0.77026086      -0.16364204      -0.26133457 
O       4.43006997       9.52333997       3.45048005      -2.43841750      -0.40986638       5.60709840 
O      10.67870003       8.68961006       7.83502997       0.45070933      -0.62343806       2.90546991 
108
Lattice="11.03733609 0.0 0.0 0.0 11.03733609 0.0 0.0 0.0 10.70790848" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.021973254716712444 0.01213598925834482 -0.009688854667127097 0.01213598925834482 -0.025835553797640336 0.011140996291087562 -0.009688854667127097 0.011140996291087562 -0.0026225256912699047" pbc="T T T" energy=-1044.71527187 free_energy=-1044.71527187 config_type=crystal 
Hf       1.75355004       1.54523997       1.86136001       1.19840477      -0.99600894       2.85214791 
Hf      10.91039999       7.03054998      10.32489998      -1.09041838       0.48042112       1.71741149 
Hf       1.76557996       8.47330000       7.38435005       0.51787853       0.20251349      -3.06856300 
Hf       7.46648006       3.20078001      10.30020005      -1.51908350      -2.40483651      -1.34868254 
Hf       9.23701998       4.73032996       2.03424005      -2.97509520       4.39056007      -1.09839012 
Hf       3.44231996       7.14785004       4.56015000       0.90840482       3.83760248       1.42525045 
Hf       3.77037995      10.60830005       9.85049006       1.25136555      -3.99518868       1.26130442 
Hf       7.39459002      10.86270005       5.19220004       1.77790535      -1.43107279       0.32069202 
Hf       5.35922997       1.56142997       1.81073002       3.36855128       1.13349188      -0.48408918 
Hf       5.83210996       1.52894003       7.43508005      -5.97973159      -2.79611856       1.62069952 
Hf       1.63948999       8.81764999       1.67688995       1.38360501      -1.12088336       2.93662433 
Hf       3.83119997      10.68319996       4.68714001       1.69542184      -2.39050548       8.47445641 
Hf       3.62568996       3.22962001      10.00979996       0.81156673       0.18321497      -1.43934791 
Hf       7.28963003      10.75720000      10.24009998       0.11835635      -4.75259127      -1.59520185 
Hf       9.48706001       1.33418999       2.32107001      -6.06840945       2.21728137      -2.31229717 
Hf       5.27817001       4.81084004       7.45345000       1.60889765      -0.47772416       0.32289267 
Hf       3.80077997       3.22980997       4.57090995      -1.47315025      -1.03858550       2.96218062 
Hf      11.02582724      10.75750000       4.42907000       1.77173303      -2.13403663       4.09184649 
Hf       9.55651002       1.27861004       7.59276996      -4.86559617      -1.38212395      -3.18613027 
Hf       5.31203002       9.32671003       2.15708000       2.04269328      -2.41368250       0.02634624 
Hf       4.04626004       6.72674995      10.13089998      -6.96642926       2.87412302      -2.89519988 
Hf       5.25470000       5.30034005       2.46388996       3.46246857       1.25190017      -0.31983238 
Hf       9.10494997       5.02920998       7.70249004       0.81424593      -1.57092818      -0.36612759 
Hf      10.64250000       6.93420000       4.89209002       0.88661539      -0.13319668      -1.02068742 
Hf       5.52680996       8.45087004       7.56395005      -0.04201220       6.77300246      -2.67081657 
Hf       7.52491006       3.70220000       4.80644999      -1.95756658      -3.52693247      -0.54699377 
Hf       7.23659000       6.91062005       4.78531001       2.01930027       2.30370881       0.47571718 
Hf      10.93980003      10.88499999      10.16300004      -1.15541090      -2.97143890       0.53393963 
Hf       0.10660301       3.29280998       4.77140997       1.32663265       1.27769996       1.82700146 
Hf      10.84410004       3.19032997      10.19990003      -2.06428499       1.21028259      -3.18529835 
Hf       1.77626995       5.25114995       7.47913003      -1.25146542       1.25468951      -0.37590285 
Hf       8.97561005       8.21374998       7.63939005       3.35563553       7.28549216      -1.79626539 
Hf       2.10481999       1.26962996       7.41748995      -0.49420314      -3.44231083      -4.79373313 
Hf       7.31245999       6.93406004      10.26580003       6.76039314       1.51967963      -0.29033910 
Hf       9.22857001       9.05718005       2.39430001      -2.04641114      -2.60873568       0.02374638 
Hf       1.82593002       5.17994004       1.89771004      -1.59086313       1.40055809       1.33991530 
O      10.86649998       5.43240001       6.30385002       2.67512690      -3.01633657       2.57722991 
O       9.29060999      10.92180002       0.94382803       0.61550649      -2.00555234      -2.35066274 
O       1.90354004       3.00462005       5.63675995      -0.08130117       1.68673578      -0.32899225 
O       3.66252001       2.39652001       1.04910005      -4.75089877      -3.89719509       2.87206188 
O       1.92349996       7.01447995       8.78298996      -0.82312842      -1.26563255      -4.27166264 
O       1.76193996       7.03984000       5.63679004      -0.86149274      -1.55811816       1.31982609 
O       1.11150996      10.69710005       2.55893003      -0.70027393       0.93122870       2.70910170 
O       5.40750000      10.89071314       3.39514005       1.14347831       1.05397493      -1.84410285 
O       5.70950005       3.21552997       6.02390000      -0.73967117      -1.62399111      -0.99151288 
O       3.85099996       5.10419003       1.24675005      -3.42378626       0.49371768      -3.14476971 
O      10.84279995       8.34899002       1.32451999       0.10034391       0.25395168      -2.09407006 
O       5.54520997       7.38398005       5.59637004      -0.09419151      -0.31961188      -0.29986811 
O       3.64104003       8.39754999       6.31807001      -1.76929972       1.22828847       3.00527796 
O       1.61829996      10.68400006       0.49008095       1.27654313       0.96493481      -3.84682505 
O       6.82430003       5.18335996       6.09275998       0.96829143       1.36710824      -0.64749629 
O       1.73040000       7.09348001       0.28800601       2.49834670      -0.04743771       1.67746736 
O       0.29147298       5.01707995       3.72948004      -1.37680198      -0.00608716       1.33255124 
O       9.10928003       7.19330996       3.64857997      -0.27115159      -2.15935385      -0.39886685 
O       1.88110003       3.40308996       3.06187000       1.36694875      -1.52376709      -1.31962099 
O       7.25667001       4.65872999       8.76688002      -0.65679403       2.69775942      -0.62880459 
O       9.03077002       3.13935006       8.79274005       1.14375418       0.18635213      -0.65817764 
O       7.14001000       9.04616004       0.97673900      -1.04353195       0.79319455       0.89219262 
O       9.14477996      10.88729995       3.55754005       1.87309875       0.36262109      -1.62600624 
O       5.65749003       6.65029996       0.17384600      -0.46711668      -1.30534090       5.15498863 
O      10.87030003       1.65207001       3.61553997       3.19692362       0.70929526       1.18574162 
O       7.53954005       1.01472003       7.17583002       2.80495855       1.17838237      -2.49059042 
O       3.08127005       0.94289104       3.76484997      -2.45512149       7.61757405      -6.43056623 
O       3.66185997       9.13772998       1.21534997      -1.20605317      -0.33618083      -1.63490840 
O       3.61192000       1.29557002       6.21082003       2.56259298       2.29568469      -0.48321861 
O       4.08009002       8.81550003       9.18620996      -1.75702155      -4.07240567       0.24955091 
O       7.58298995       4.63798995       0.74952297      -0.77000440       5.29549455       2.73382465 
O       5.59025996      10.37019998       8.65274999       0.76974791       1.44553164      -0.23807063 
O      10.91980005       8.75059000       3.69590004       0.79514395       2.38706973       1.17137382 
O       3.83237997       0.99539299       8.73366998      -0.44834130       2.45847089      -1.12284759 
O       8.80280003       7.08766003       0.95570996      -0.36069054      -0.82687159      -1.67993181 
O       5.33369002       6.83010004       8.39166002      -1.06142429      -6.13266530       1.16676596 
O       5.15391996       7.38051996       2.84586000       1.52204051      -2.22639421      -0.47536828 
O       5.00400998       3.08988999       8.54992002       0.69630473       1.91410908      -1.93704219 
O       3.88912998       5.40999002       3.86799005       0.59951537      -5.48526798      -0.22838086 
O       1.79446997      10.84889996       5.72959003      -1.94696597      -2.01331933      -2.11707496 
O       7.36532000       1.55768004       4.30960004       0.17420359       1.38258678       1.75564760 
O       1.32687002       4.06300003       0.03327793       5.57523851       0.69424997       3.87592725 
O      10.69930001       1.56375002       9.10973001       2.59443796      -3.85227193       1.37216607 
O       5.52299998      10.78660004       6.17958999       0.86778141      -0.27457996      -2.06232705 
O       5.50810002       3.23394003       0.24333797       0.70661397       0.05699536       0.44874710 
O       6.95037003       8.56452005       9.12192000       2.69343046      -2.21135293       0.22888109 
O       7.18138997       5.37817997       3.31876000       0.65200200      -0.93815016       1.75648609 
O       8.88946000       6.65905996       6.17879996      -1.44421824      -1.44373897       0.48709214 
O       2.06648997       7.06623998       2.88867001       0.22870199      -0.22895324      -0.44592628 
O       3.63713998       4.81470995       6.30716005      -1.60288661       0.44578976       1.05711793 
O       5.29309999      11.02599997       0.41182498      -0.56824924      -0.18775029       2.87963541 
O       0.05137383       1.65692004       6.48037000       0.76206853       1.06120061      -0.45618757 
O       9.28073003       3.22094996       0.68465499       1.78791589      -0.48302593       0.23309318 
O       0.00271927       5.00789004       9.01313001      -0.65454656       0.06456726      -1.69591004 
O      10.67579998       8.90264002       9.49664005       0.68307543       0.95601557      -0.02545243 
O       3.50330997       5.05866996       9.16287004      -0.13316353       0.40041155      -1.39558405 
O      10.92200001       5.55368002       1.48606999      -0.05368922       0.20371955      -2.53802065 
O       5.55913004       3.05901999       3.13556000      -2.89464169       2.60679704       2.14634873 
O       6.65955995       1.32707002       9.63956996       0.82793034       4.09521662      -1.88065267 
O       2.09316004       2.46653005       8.85980004      -1.69551281       3.88128774       1.74174171 
O       9.37638996       6.92510998       8.89948001      -1.71359788      -5.73534459       2.17381073 
O      11.01651294       1.67408000       0.88171595       2.49143625      -0.98774218       1.04693763 
O      10.72880005       8.19153999       6.39906003       1.24292924       2.18907790       3.20988029 
O       8.99656995       3.55779997       6.15379003       0.69204995      -0.08244248      -0.98408239 
O       8.88555996       3.19747002       3.14404003       0.87548061       0.57126312       2.67783193 
O       7.71098001       8.75895995       6.45974003      -5.46975572       0.75618465      -2.16207902 
O       9.39184996      10.76429999       6.05177996       0.91093776       0.73979914      -0.92551237 
O       8.56421002      10.56679999       8.59489998       2.97179870       0.12974028       2.40806602 
O       7.86891005       9.13420002       3.79981001      -4.27009649      -0.64149831       1.58142095 
O       7.35941999       1.79235003       1.56497999      -0.22766100      -1.62040010      -1.13061671 
O       3.74587000       8.97721002       3.85246005      -1.04637912       0.02319039      -1.72711015 
O       1.73148000      10.20890002       8.18488999      -0.04718238       2.91988668       2.17184002 
108
Lattice="11.03612599 0.0 0.0 0.0 11.03612599 0.0 0.0 0.0 10.7067345" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0098441500676278 -0.014450348656591758 0.0027918080453368205 -0.014450348656591758 -0.018604238935353214 -0.006035811872708111 0.0027918080453368205 -0.006035811872708111 -7.352146353326691e-05" pbc="T T T" energy=-1034.91424925 free_energy=-1034.91424925 config_type=crystal 
Hf       2.28879000       1.54366996       2.20045996      -0.08527600      -2.08345182      -1.12333781 
Hf       0.56551802       7.27706002      10.31750005      -1.73058434      -1.35611802       0.11673929 
Hf       1.78287997       9.09040996       7.81375996       1.24172182      -2.98570928      -0.18159996 
Hf       7.31503003       3.46434005       9.46682998      -1.08893476       0.80335998       0.86635177 
Hf       9.03675000       4.98562995       1.93539001       4.92823525       0.79968937       3.64444439 
Hf       3.60248001       7.05861999       4.82854004      -1.20633307      -0.50547989      -2.64300747 
Hf       4.13987004      10.74289999       9.90582997      -1.96698271       0.57119889       1.89628142 
Hf       7.43194002      10.57410001       4.53438001       1.25382556      -3.18514095      -2.30243113 
Hf       5.83786995       1.33864997       2.09763002      -1.80763697       0.00417467      -1.84219609 
Hf       5.08871995       1.41825001       7.04954997       0.18554452      -1.55258387       1.21569535 
Hf       1.58207998       9.39821006       2.38363002       0.14605370      -0.33677502       1.48482397 
Hf       3.58267998      10.20900002       5.20737000       1.90551068       4.83604195      -2.70365544 
Hf       3.89554003       3.43832999      10.54579997      -0.03028988      -0.54741856      -2.15799573 
Hf       7.56471002      10.44810001      10.01239998      -4.96860488       2.77588605       0.33458341 
Hf       9.35414998       1.26834996       1.92427996       0.93044729       1.10564652       2.81905844 
Hf       5.39075996       4.49401998       7.01381999       1.02672601       3.94514199       1.59329749 
Hf       3.28951004       3.61932996       4.80853001       0.46539600      -0.68130372      -3.09884107 
Hf       0.04849605      11.00656639       4.77248001      -0.03950342      -2.34203879      -1.41563950 
Hf       8.80692003       1.42767001       7.15145003      -1.65803718       2.47522108      -0.08943941 
Hf       5.51027006       8.75150996       1.73169996      -0.34653649      -1.73413661       1.72627261 
Hf       4.15066999       6.92555996       9.91459996      -0.92076936       1.02282361       0.34765975 
Hf       5.98196004       4.87244996       1.58002001       1.01934805       1.62422434       1.62095663 
Hf       8.90996003       5.21989998       7.10906004       1.87384376      -1.67409459       3.71142171 
Hf       0.18701996       7.04661004       4.82103002       0.14684573      -1.29609799      -2.24075472 
Hf       5.59848998       8.33860997       7.29127998      -1.56023132       1.62744275      -0.71323100 
Hf       7.35408004       2.98271004       4.77678005      -0.13808239       3.82952631      -1.28266275 
Hf       7.53642002       7.23112998       4.65045996      -2.96651622      -4.47532545      -3.63627114 
Hf      11.00889998       0.16941005      10.27439999       1.17662457      -0.56704100       1.75307833 
Hf      10.79310001       3.12811001       4.75244996       0.62737791       3.64205736       0.35442717 
Hf       0.17340303       3.86393003      10.05679996      -0.37003662       1.28319245      -0.01620566 
Hf       1.87518999       5.29780002       7.53901005      -2.58663093       0.76169250       0.59403796 
Hf       9.33117001       8.67431998       7.12615002      -0.21199491       1.37620772      -0.66907440 
Hf       1.24379005       1.03864999       7.77689003       4.27275570       3.06642284       0.00941124 
Hf       7.59022003       7.33966002      10.06170000      -3.37329645      -1.89535206      -1.73351184 
Hf       9.23248000       8.93235995       2.31637000      -1.09590861      -3.83445521      -2.36124587 
Hf       1.73370995       5.16583996       1.83923005      -0.74381070       4.02830115       7.43263572 
O       0.21280300       5.74731004       9.03786005      -1.03571173      -0.03786378      -1.04213207 
O       9.97983001       1.46544005       3.85197001      -0.77116788       1.18970071       1.02430218 
O      11.01440005       4.66287999       6.63254001       0.55878314       0.67928216      -1.80720854 
O       3.91924000       1.41344996       0.46146700      -1.17090700       2.35652879       0.92382244 
O       2.29922996       7.07948997       8.88833997      -0.37977941       2.27667675      -1.23756295 
O       1.85734005      10.49240001       6.36974995      -2.20211389       2.44933625       2.22495478 
O       2.09968003      10.85310001       3.85367002      -0.54260967       0.80786809       0.05451436 
O       5.43763005      10.60770005       0.71293404       2.96159167      -0.25417004       2.11527876 
O       3.53857002       1.30263004       5.85139004       0.74696363      -0.48873300      -0.03652456 
O       4.13307002       4.77095998       1.60713995      -3.05107267      -2.46913626      -1.05829607 
O      10.90420003       8.15684001       3.15264005      -0.73356399       1.11135452      -0.02215115 
O       0.09357399       8.80599002       8.94778997      -2.33799654      -0.08705564      -2.24085127 
O       3.44341997       8.73938997       6.27301000      -1.09660721      -5.31939613       0.78210890 
O       2.34164003      10.58059996       1.15417003       2.41770047       4.66597235      -1.29131076 
O       7.16161000       5.49536003       6.23488000      -1.84351693      -1.72174140      -0.65098539 
O       2.26012003       4.65002004       9.43846002       1.20859787      -3.69991751       0.44012491 
O       0.26510099       5.59000000       3.45303001      -0.20248510      -1.04337797       0.49834594 
O       8.67461001       6.73770004       2.85181004       0.50827805       0.87689399       0.52974758 
O       1.73620003       6.53566003       5.92916001      -0.08398413       1.94391364       0.47043728 
O       4.72685001       6.44794998       7.91242005       0.45916459       0.44609960       1.39931725 
O       9.72269997       3.77670004       8.49334006      -0.86435536      -1.61122800       2.18661571 
O       7.48191005       8.83362999       0.93650297       0.50979239       1.90317551      -3.64681573 
O       9.37298997      10.15739995       3.73131004       0.68614738       0.17419841       0.66951809 
O       2.79114000       5.22648005       3.50532995       1.34614715      -0.49432337       3.06962809 
O       1.62490997       2.59706002       4.02726998      -0.35170460       0.42168879      -1.44879388 
O       7.63115004       0.30395102       2.58866998      -0.91896637       2.16273281      -1.03626577 
O       5.65770001      10.40100003       3.83911004      -4.22423912       1.57610905      -1.40499359 
O       2.28792996       8.19499002       3.68229996       1.13417729      -1.57437677       2.53191555 
O       1.02422003       1.85644999      10.10050003      -3.21480865       0.30361452      -0.37231644 
O       3.71392005       8.55894004       0.63579801       1.97175846      -0.65076872      -0.55196779 
O       4.84935002       7.79270005       3.42307000      -0.05821762       0.27369818      -1.63864773 
O       5.71469001       8.56414998       9.37568001       1.35291643      -0.66220588       0.25659074 
O       0.08007405       8.97030005       5.71278997      -1.76515646      -0.37028584       1.82256178 
O       5.41392997       2.91434996       8.69575002      -3.25078133       2.57361278      -1.52553423 
O       9.24072995       7.22507998       0.03543030       4.53269388       0.42330330       1.32222255 
O       6.03356000       6.85451997       0.76344895      -0.05907922      -0.22898555       0.43760163 
O       5.30401998       3.09890997       5.59416000      -0.07761936       0.35602375      -1.19226008 
O       7.97282000       1.70488999       9.60709998       2.25953783      -4.30334011      -0.44589244 
O      10.92293794       5.38056997       0.82821003      -1.81538829      -0.58769392      -0.40795497 
O       0.21682599       1.54253003       5.98279005      -0.26472282       0.33789478       1.84850645 
O       7.25511998       8.65054000       3.16650003       1.74234569       0.29082701       1.40064734 
O       1.75499996       3.53922005       1.13371995       1.40137098      -7.96235116      -2.30897180 
O       8.01514001       9.80290998       8.23749000       1.11109771       0.57159666       0.62447307 
O       5.16380004      10.33459996       6.55648001       0.87796095       1.16016531       1.05266364 
O       6.07825995       2.90685996       0.29206601      -3.83577840      -1.05906994       2.27773521 
O       9.26616005       6.78789003       5.83794003       2.08507795       2.13695448      -1.64962633 
O       6.83108001       5.10261002       3.48219998      -0.62005276       0.80698147       0.42999693 
O       9.26711997       3.82216999       3.70589000      -1.29417721       0.74963921      -1.60593816 
O       2.05577004       6.44521004       0.58327998       2.59248286       3.77950878      -2.09582927 
O       3.82581003       5.33474996       5.77063000       3.33754316      -1.48474616       0.90984027 
O       3.51813995       9.44405997       8.45441005       1.43429338       0.58189653       1.71723813 
O      10.21070003       0.86958802       8.28110999       2.84769570      -1.90549987       2.86512465 
O       7.00202000       2.88206002       2.75331997      -1.43814159      -3.59442294       1.74082997 
O       9.02752998       3.34390004       5.98948004       0.02405225      -2.70828771      -0.20775493 
O       0.48806495       9.01709003       0.91975603      -4.00745566      -1.24044753      -4.54472423 
O       4.97522002       5.15209998      10.07039997       0.05604721      -1.35632310      -0.21147535 
O      10.06529995       2.93741999       1.09795999      -0.41917805      -0.85626941      -0.62286336 
O       4.06231995       1.95062997       2.94812997       0.65102234       0.27551427       0.94083154 
O       6.88079004       0.99465900       5.65996005       0.71189918       4.06810992       1.51715046 
O       2.57387996       3.75520002       6.52383004      -2.15124204      -2.58275445       2.84674912 
O       7.69434996       4.12600005       0.97961000       2.37392490       1.70453751      -3.22931406 
O       0.26109002       0.24159702       2.34467999      -1.15836950       1.23205385      -1.61077327 
O       1.54482996      10.72530001       9.36042998       1.15735607      -1.89598044      -3.51534938 
O       7.77144999       5.46902000       9.23055001      -0.40504598      -1.41832713      -0.68911686 
O       7.10810002       3.01779003       7.29491000       1.17902244      -0.40502543      -0.53649708 
O       8.11783999       7.33341997       7.86568997       0.29533921       0.93241291       0.54286840 
O       9.20870002      10.85249997       5.89885996      -0.14736946       0.48168047       2.84555723 
O       9.06370000      10.75150000       0.60950399       2.49574882       0.23932766      -1.03007729 
O       7.28455002       8.86748000       5.60547005       1.50943769       0.54659952       3.82915912 
O       5.74340005       0.57056904       9.20111003       0.35279213      -2.09494213      -1.98896347 
O       5.29253005       7.24527002       5.75833995       4.08724537       0.26225946      -0.67315946 
O       2.93810997       1.81589002       8.65526999       0.51110043      -1.48642520      -1.88015601 
108
Lattice="11.03515716 0.0 0.0 0.0 11.03515716 0.0 0.0 0.0 10.70579458" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005012180945437998 -0.004086948620390205 0.02065092378109928 -0.004086948620390205 -0.012181430871369761 0.008654136223181619 0.02065092378109928 0.008654136223181619 0.036402597836484425" pbc="T T T" energy=-1041.2968585 free_energy=-1041.2968585 config_type=crystal 
Hf       1.85551996       1.39519997       2.10747999      -0.88619535      -0.34197821       2.06471446 
Hf      10.95459996       7.25678997       9.84521003       1.82193550      -1.56786154       2.52453233 
Hf       1.96996999       8.60775000       7.30674998      -1.69922376      -0.53946755       1.05698172 
Hf       7.18485002       3.22291001      10.20730002      -0.58135757       0.89731349       0.62316640 
Hf       9.06314004       5.02212000       2.12129003       1.91963307       0.72707114      -1.52366857 
Hf       3.21737003       7.10323995       4.71416004       3.40507250      -3.08697928      -5.89784168 
Hf       3.52825005      10.68980000      10.26649996      -0.23022806      -0.14374892      -1.23351392 
Hf       7.26122997      10.68019996       4.59599997       0.40717212       0.52088834       2.29293957 
Hf       5.35032003       1.85788998       2.17363998       1.64712673      -1.37250625      -0.92001795 
Hf       5.62157997       1.49289002       7.40813000      -2.62282744      -3.53523602      -1.18759929 
Hf       1.90859002       8.67784002       1.64552998       3.13929162       1.17037215       1.81780037 
Hf       3.89854998      10.54580003       4.76041999      -9.53323916      -2.30548217       6.85184073 
Hf       3.43593004       2.99573000      10.14200003       3.89201901      -0.67049946      -0.41639118 
Hf       7.25982001      10.77819999      10.08240002      -2.50887817      -2.76301962       0.27442815 
Hf       9.25479004       1.53249002       2.34539004      -2.34449212       2.97133431      -3.45765335 
Hf       5.69731999       5.03458001       7.09869999      -7.16848892       2.51021624       5.38115683 
Hf       3.39753001       3.20002001       4.96156999      -2.14511006       2.03767496       0.50601083 
Hf       0.07394284      10.18610003       4.89435002      -1.14195295       0.47113631      -0.26439478 
Hf       9.08056002       1.49715997       7.47175004      -0.27860553      -2.01988115      -1.41836302 
Hf       5.36522996       9.30969999       2.02362000      -0.51634978      -2.26037742      -0.82043743 
Hf       3.89049001       7.27504996       9.78056994      -0.19028163      -0.50504419       1.72974762 
Hf       5.27777005       5.40490002       2.05658999       0.16452790       1.30947498      -0.09914546 
Hf       8.95555001       5.00542998       7.66338997       1.90792262      -0.06305611      -0.87308043 
Hf      10.97238069       6.84999998       4.35028999      -2.71018891       1.25900374       0.19879137 
Hf       5.67772001       8.37178005       7.14106004      -3.10014509       0.73546956       1.39335172 
Hf       7.22146997       3.54475997       4.96620003       1.68970986      -1.19992967      -1.83787104 
Hf       7.52792003       7.15526995       4.36580001       3.44354935       0.10052699       3.44969418 
Hf      10.77030004      10.89110113      10.22129999       1.87283479       1.63441157      -0.53090019 
Hf      10.90900004       3.23808998       5.05565005       0.58174578       0.33077476      -2.49553601 
Hf       0.35741296       3.40418002      10.16380003      -1.80755624      -1.30794642       9.44194477 
Hf       1.62920997       5.09581002       7.54881999       0.92351311       0.26121727      -1.26492620 
Hf       9.00115004       8.99398999       7.43530002       0.77574883       0.94647987      -0.94388254 
Hf       1.78091998       1.26316001       7.46859001       0.31099862      -1.49738692      -0.14234049 
Hf       7.45187997       6.73838003      10.05309997      -2.34066601      -2.21600282       1.56308339 
Hf       9.22204001       8.98220996       1.79144996       0.04589867      -1.63031389       3.81863682 
Hf       2.08477999       5.24111004       1.84110997      -3.48083477      -3.84240131       0.35579070 
O       0.00164280       4.55156997       8.92721994      -2.65252707       5.76084953      -7.33404789 
O       1.44459002       0.77310601       3.95189001      -0.54650685      -1.84224780      -0.04647620 
O      10.79935020       4.86572997       6.08716995       1.07694269      -0.01903660       2.30343466 
O       5.63221996       0.07960553       0.89482104       0.07893962       0.05646929       0.66582188 
O       1.02090995       6.96919998       8.18840000      -1.75116060       0.38163543      -1.28933344 
O       2.02771002      10.28819995       6.26243997      -0.36605266       1.36082001       0.18706019 
O       3.40245997       9.78393995       2.97789995      -0.41786474      -0.39416254      -1.43738937 
O       3.60750996       8.91485003       0.63329400       1.40313957       0.59169263       0.02461322 
O       3.87636998       1.40032999       5.91090996      -1.16517720      -0.35547871       2.79080346 
O       7.25581005       9.35646996       0.96131098       1.56164035      -2.88335492       0.43997298 
O       1.17105000       8.73744995       4.12859997       0.54705070      -0.49892027      -1.45041064 
O      10.54559996       9.14476003       9.15288996      -1.33651362      -1.42648184       0.24947312 
O       4.14309999       8.55216999       5.32660000      -0.22634175       4.94746200       1.39987447 
O       1.63503002      10.69690002       0.82681804      -0.62329375      -1.70046867       0.37593533 
O       7.33185001       5.19890001       6.22347002       1.90737105      -1.43828164      -1.31865356 
O       2.94255004       5.81409005       8.72671005       1.94539546      -1.43390334       1.61008345 
O       0.54371400       5.40760000       0.55272005       2.23562584      -0.11914325      -0.41103953 
O       9.49198997       8.66870997       3.90201000       0.64551998       1.18779017       0.08558994 
O      10.89257818       5.31006995       3.12804004       0.37842334      -2.36843354       1.37254797 
O       1.90798000       6.66788998       5.92784995      -2.32982878      -0.43812682       2.29996592 
O       8.73889997       3.07625002       8.82655004       1.72494259      -1.72909680      -3.01222259 
O       8.89401003      10.93260005       0.63293803       2.99608067      -0.14553647      -0.26293580 
O       7.08941997       8.88008995       3.63674996      -1.57940197       3.02511231      -1.85092350 
O       3.84650001       5.36317996       3.57861996       0.75641702      -2.70314377      -0.12966529 
O       1.51478995       3.31179004       3.45606002       0.97930487       0.34213882       0.61109456 
O       9.82603002      11.02510005       3.17721005       0.65189228      -2.96548913       1.89583301 
O       6.04520001       3.27352000       3.45132003       0.47191814       2.24239137       0.03665296 
O       1.85180001       6.68843005       3.02757002       0.14280741       3.81404077       0.78956752 
O       1.86134002       2.99537004       8.74122004       2.48181647       1.42423558      -0.48858506 
O       5.91328000       6.76902003       8.55593999      -0.13984552      -0.13591511      -0.60427691 
O       5.23753995       0.01314287       3.86950004      10.51759493       1.23259026      -5.68536632 
O       7.18693004       9.39864004       8.29312001       0.96717814      -1.44560395       2.09305286 
O      10.79150001       8.51360995       6.14605000       0.24657743       1.02747941       1.91966926 
O       5.26085999       3.76795000       9.29612000      -1.88327720      -1.97655383      -1.38109204 
O       9.27833995       6.39038999       0.26201597      -2.10495671       1.78727342      -0.90686535 
O       7.33906998       5.54262000       3.31066998      -1.14222099      -2.02821652      -0.06025812 
O       5.69207995       3.09489005       6.27932001       1.42164468       1.89068333      -0.84236458 
O       7.45621005       2.11646998       1.04089004      -0.25396022      -1.40467790       1.17166749 
O       3.64088005       5.80722001       0.78155501       0.74345093      -0.47394002       0.00305931 
O      10.96880000       0.99320497       6.28074999       0.21919103       1.97518066       2.21880631 
O       4.92508003       7.52879998       2.85929998       0.78452525      -1.51092689      -0.17752802 
O       5.52918999       7.54632999       0.30296103       3.12120404      -1.71844236      -0.06068163 
O       8.92486996      10.84054819       8.75683005       1.86705658       2.44227667      -0.50995447 
O       5.59193005      10.19080001       6.44812994      -0.57843006       3.91108516      -1.71953595 
O       4.85103997       3.42273000       0.92191601       0.56665515       0.52062858       2.07499890 
O       9.18294002       6.27927004       5.43149003      -0.44158829       2.13870660      -1.70862544 
O       9.59954998       6.92745001       2.54416003      -2.61032478       1.74131636      -0.07179880 
O       9.51962002       3.15782995       3.59734000      -2.15649132      -0.53162306      -3.26473048 
O       1.89753997       7.72188996      10.23971556       0.69374688       0.57173511       1.71419795 
O       3.67570999       4.57492996       6.65186004      -0.28243446      -1.03273589      -1.23532650 
O       3.78270996       8.37674002       8.10743004      -2.39644018      -0.36474990      -1.40614960 
O       0.10715899       1.70974002       9.30596002      -2.05408637      -4.99467024      -2.24318348 
O       7.27483003       1.13706999       3.31412003       1.76084596      -0.66437896       0.60363185 
O       8.98118998       2.94685000       5.82785997      -0.49115572      -0.25960383       3.21187984 
O       0.16874289       8.33913000       1.10335000      -5.83852441       1.58543322      -0.85222436 
O       7.11845004       4.97031998       0.82623297      -1.07952137       1.55620094      -0.35121695 
O       2.06797002       3.15370005       1.16278001       0.16930737       1.89015139      -4.26043242 
O       4.03416996       2.01139995       3.66052004      -1.03681156      -1.04269683      -3.94812480 
O       7.28350002       1.04505995       6.26844003      -0.52376327       1.93233062       0.99657232 
O       1.59062995       3.09680002       5.87893004       2.97312486      -1.50196797       4.04734403 
O       9.43942996       3.70604001       0.63712796       0.88869568      -0.89674890      -0.03068227 
O       3.62687004       1.22161000       0.85188395      -1.13212273       1.71645974      -0.22811864 
O       1.56750004      10.44460002       8.95043000       1.25091742       1.30781665      -1.35761394 
O       7.27228996       4.76712996       8.97944003       2.39373338       5.63474661      -2.93777522 
O       6.77459002       1.36045997       8.99525998       0.02204715       1.20009985       0.42842000 
O       9.43850002       6.75110003       8.55216994      -3.41785493       0.07225760      -2.25035587 
O       9.03090998      10.55290005       6.07154998      -0.07252070      -1.41821491      -0.30673321 
O      11.00479999       1.33924003       1.19179999      -0.17124656       0.98989731       0.41353668 
O       7.29935997       8.11866002       6.23773003       4.38458748      -0.79179399      -1.94103471 
O       5.00678003       9.94145004       9.34732003       1.71519099       0.72192806       0.29228600 
O       5.08435001       6.66679000       5.89312999       1.53553686      -2.52920520       0.78403585 
O       3.69503001       1.22162004       8.72608001      -0.08787255       1.18881014       0.24520126 
96
Lattice="10.4662 0.0 0.0 0.0 10.4662 0.0 0.0 0.0 10.4662" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02337777375711411 0.006953289016561339 0.023015908222145495 0.006953289016561339 -0.02046767263625771 0.00493252492103772 0.023015908222145495 0.00493252492103772 -0.05059910836142442" pbc="T T T" energy=-925.74876614 free_energy=-925.74876614 config_type=crystal 
Hf      10.42870002       0.26872105      10.07410004       1.66003310       3.31944624       4.49756050 
Hf       5.04661000       9.99059996      10.34619999      -0.90412838       0.60414898      -3.09067382 
Hf      10.40440002       8.13121998       7.43048999      -0.19164374      -1.72554030       0.49655561 
Hf       7.63678005       2.68093000       5.16992999       0.80895434      -1.01061379       0.32706652 
Hf      10.41660005       4.76092000       9.88998995       2.75258081       1.40955705       1.29183738 
Hf      10.15939999       8.22512995       2.45678000      -0.88222213      -1.56475380       2.66981359 
Hf       2.98366002       5.28129999       2.61656005      -1.25422729       0.96673299      -2.33900319 
Hf       7.49316997       5.29240997       2.27520996      -1.67219288       1.32866410       0.95468655 
Hf       8.09960002       8.04416004       9.89447995      -2.00310216       1.84834355       3.95655539 
Hf       4.97061995       7.86564999       7.73205000      -0.95535839      -2.64837802      -1.65385839 
Hf       5.06094001       7.75314002       2.38191004      -1.23026581      -4.00650725       1.12725536 
Hf       5.71490000       5.00640996       9.99724998      -3.20116155      -0.85451022       2.31705392 
Hf       2.44875996       7.84829002       4.95510004      -2.39606342      -0.60472334       1.13655082 
Hf       0.16518395       5.53656004       4.54311995      -3.92157941      -2.29898840      -1.58757572 
Hf       5.31956002       5.29405002       5.13937005      -2.29274754      -0.91455661       1.01408502 
Hf       2.44534003       5.25738996       7.51539997      -1.20298136      -2.52307705      -0.12371108 
Hf       2.06445000       7.76945002      10.32310004      -0.80196759      -3.07517877       1.45297122 
Hf       2.57956004      10.32999999       8.03377003      -1.00999571       2.41283259      -2.92353708 
Hf       5.05104003       2.59886997       2.65608000      -2.90133888       1.10057919       0.80150991 
Hf      10.18529996       2.52090997       7.50632996       0.83038069      -1.73388584      -2.11019832 
Hf      10.23999999       0.22305398       4.73200995      -1.21757761      -2.98862760       2.77135246 
Hf       7.86268000       5.20819003       7.31666996       2.91982536      -0.91457227       1.77709291 
Hf       7.73573002      10.46249999       7.86689003       0.30489622       1.45853729      -3.60057605 
Hf       7.63109000       2.18168002      10.32690001      -0.23020150       0.50317795      -1.42307807 
Hf       7.71711002       8.00304995       5.03625998       2.94964338      -1.03099167       0.89917122 
Hf       1.97072005       2.85292996       5.11421004       2.84952238      -2.94301939       0.94904349 
Hf       4.92705000       2.00536003       7.39973004      -0.06311945       1.41475863       0.03107968 
Hf       5.06858002       9.76081998       5.13910002       0.06246490       5.09364936       0.27935821 
Hf       2.68472002       2.56223000      10.23620002       0.84813862       1.52982952      -0.89971198 
Hf       2.75013995      10.45170002       2.16735001       1.10331383       0.38135668       2.50691510 
Hf      10.08499996       3.19845000       2.12012997       0.36412031      -3.54487480       1.60905806 
Hf       7.33438003      10.21459998       2.23891004       1.61402695       0.06938387       3.02162277 
O       7.25862997       4.15199000       9.22211002       0.31031301      -1.38360198       0.05970496 
O       6.45765995       6.40950004       3.83974003       0.29973725       2.31526928      -0.00948774 
O       8.91730999       6.86746003       6.66985001      -1.96601605      -0.58092670      -1.51950301 
O       8.57836001       1.54159004       6.82720996      -0.55399908      -0.62783255      -0.62744737 
O       4.20258005       3.64649002       9.20813000       2.20355215      -1.48466758       0.00746036 
O       3.75152001       6.98843999       3.72353998       1.44685781      -2.20351698      -1.06393136 
O       3.71435003       4.12371996       6.15726996       0.26467075      -0.38274258       0.48800103 
O       5.98671004       8.45502997       0.93164597       3.72822301       4.26875841      -2.55927620 
O       6.68183004       3.69535001       6.74768997      -3.12227767      -0.81924310      -1.36207751 
O       9.34926995       9.53987997       8.95117003      -2.43337501      -4.34444013      -2.87748038 
O       6.54253005       3.43227003       1.15247002       0.05838861      -0.47610897       0.88066804 
O       4.63732999       6.04136998       8.82774999       0.47284317       2.64748349       0.04174492 
O       9.17904998       1.35085998       1.23010002      -2.12031993       2.55411557       0.17092349 
O       6.91350001       9.49766999       6.11366997       1.47243439      -3.61622305      -0.01301765 
O       9.12588995       1.26961997       9.01079995      -2.22300265       2.96636712       1.66444555 
O       3.44966004       3.61284003       1.31004002       0.63239604      -1.12945544       1.37255791 
O       7.26470005       6.66827003       0.68711200       0.79220651      -2.87401562       2.57473241 
O       8.85802002       9.46985000       3.42481004      -0.31727750      -1.50042003       0.62096105 
O       0.73597795       1.61455997       3.98851999       0.55109610       2.95439977      -1.61256060 
O       3.12769995       1.57883004       3.36276002       2.94759983       1.54695551       0.11696375 
O       8.90930000       9.29983003       1.06478001       0.26232751      -1.46946734      -1.02832448 
O       4.05836000       4.30089001       3.83723997       1.41100559      -2.84527435      -0.17000883 
O       6.68194999       0.51313204       0.53582297       0.59131869       0.85256831       0.33342173 
O       8.27443004       6.50892005       9.06837002       0.61202421      -3.57035011      -4.10794887 
O       6.40052999       4.05738999       3.91312002       1.56729528      -2.73149142      -0.58729214 
O       6.30099004       6.33988003       6.60585004       0.66763912       1.30098532       0.02756917 
O       8.90519003       6.58480000       3.72483005       1.51389455       0.85027663      -1.38764497 
O       3.81621002       9.03751995       1.07709004      -2.58267964      -2.30904921       1.07731301 
O       1.83044000       4.12627999       9.13235000      -0.98084168       1.01276953       0.33667293 
O       3.53875996       6.53585000       6.67403000      -0.25317439       1.10513668      -0.31669187 
O       0.82539802       6.45904996       5.92019996       2.35455700       2.46061556       0.22482996 
O       6.20665996       1.11145005       3.52172004      -1.07321930       0.66088072      -3.46985302 
O       3.49487999       8.72658003       8.89330001      -0.17221644      -2.57775001       3.38783843 
O       2.54621002       5.99601000       0.83200303      -0.28347511       2.92193115      -1.45909501 
O       1.42608004       4.23473002       3.62417995      -0.40324967      -2.15420226      -0.85845866 
O       1.06095995       1.19290001       6.63802000      -3.46840578      -1.46293488      -3.71204701 
O       0.63452698       3.08557998       0.52503797       1.33791005       1.32347708      -1.28072817 
O       0.99889905       3.91547000       6.46267996       1.01494671       0.27606040      -0.80173113 
O       9.04722003       3.86622998       6.06477000      -1.01062197       1.16825344      -0.45241925 
O       3.10824004       1.77366997       6.74876003       2.76693333      -1.17221198      -0.39092517 
O       9.25623004       3.84117002       3.68930996      -2.46635126       1.00565292       0.34487853 
O       9.58415001       8.97216000       5.90412000      -2.26665618       1.89420770      -1.02637413 
O       4.63545005       9.84971999       7.40769000      -0.87809784       2.76299191      -2.69829721 
O       0.86698097       8.93843005       4.03702005      -1.82256828       0.92909602      -0.85344368 
O       1.48790995       6.56313999       3.45199003      -1.54920960       1.22554119      -0.79200635 
O       1.19139999       8.73818004       1.51685004       2.86883654      -0.41795430      -2.55496675 
O       1.11419000       1.67294001       8.82939004       1.00683262      -2.35523748       3.49372887 
O       1.59276003       8.79302000       6.68513004       2.77831177       2.36264216       0.15643918 
O       6.52912002       1.24234998       8.71936003      -0.59554504       1.13304330       0.87318377 
O       6.49375997       8.90090998       8.73662005       1.63182765      -0.44684196       1.69869653 
O       6.10589002       1.03093996       5.92089000      -2.42605482       3.51581597       1.57517794 
O       1.32640999       0.68692298       1.28149995      -2.53316189       1.99742955      -3.03483211 
O       9.59043004       4.17832003       8.31574997      -1.38143309       1.09587029       0.92086086 
O       4.07034998       0.96621101       0.81899397       0.50000998       1.29564325       4.01866658 
O       4.55244000       8.06121000       5.75683001       1.53634256       1.27330542      -1.55468495 
O       0.14439096       6.61855998      10.24969995       0.53965976       3.88837457       1.93802852 
O       1.23061004       9.40605003       9.44377000       0.90700537      -0.16723711      -1.75611387 
O       8.45137005       0.98595696       4.54578998       0.69275350       1.25266658      -1.52701616 
O       3.20303001       9.47727995       3.98613998       2.69785470       0.55129927       0.48012601 
O       1.01828999       6.63098001       8.01535998       2.28958846      -1.19723365       3.76399761 
O       6.22047000       8.93307000       3.51758003       0.63920390       0.73233716       1.05914800 
O       9.13334000       4.85460003       1.16180001       1.11160142      -2.55992284       0.36978504 
O       3.85622000       1.02635001       9.17151002      -0.74830931      -0.43727543      -2.25688630 
O       5.15107995       5.78593996       1.68360999       0.41551421       0.13720892      -0.49222620 
96
Lattice="10.46629682 0.0 0.0 0.0 10.46629682 0.0 0.0 0.0 10.46629682" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0257757300623819 -0.0006916021901797058 -0.012360654526410126 -0.0006916021901797058 -0.0382133039174104 0.00024091392608591983 -0.012360654526410126 0.00024091392608591983 -0.017831541772051804" pbc="T T T" energy=-927.63061845 free_energy=-927.63061845 config_type=crystal 
Hf      10.06800001       0.31099900      10.07299997       3.36729181      -2.62650600      -0.71702908 
Hf       5.07359997      10.25000002      10.12609999       0.67037406       3.36354373      -0.86963682 
Hf      10.07429999       7.82767002       7.26282000      -2.12394267       0.10669032       3.54926961 
Hf       7.75863998       2.20176001       5.11383995      -2.12221154       0.05753552      -2.26595345 
Hf      10.29000000       5.51054002      10.02629998       1.04347451       1.58826374      -2.67400961 
Hf      10.29620003       7.34162996       2.14610003       1.22121910       2.19203816       2.02548921 
Hf       2.69357004       5.40193001       2.23109003      -2.31970355      -3.83356142       3.28115056 
Hf       7.30303004       4.83182004       2.40213004       1.46288402       0.84150187       0.69234312 
Hf       7.71616000       7.70090004      10.13270004      -0.07481066      -0.83257295       0.70726795 
Hf       4.95200997       7.78606000       7.53276997       3.70431932      -0.57577416       3.26218047 
Hf       5.27674996       7.68919997       2.62694003      -2.79965812      -1.09186078      -2.51086670 
Hf       4.87922996       5.25728997      10.14950002       6.11966792       2.45397797       0.85051310 
Hf       2.47150003       8.18600996       5.36683997       0.48278835       0.53156976      -2.67272334 
Hf      10.39639996       4.91261001       5.02770003      -3.10125027       3.87328030      -3.79042254 
Hf       4.96465001       5.05839004       5.42223996      -0.66474122      -1.71807247      -2.81834746 
Hf       2.40509996       5.53536001       7.63019005      -1.71764924      -3.26114964       2.22733663 
Hf       2.42541001       7.88536004      10.37501501      -5.46717036       2.46203083       3.16457529 
Hf       2.38497997       0.03405335       8.04438004      -0.85540293       3.70007315       1.20273294 
Hf       5.16471003       2.44283996       2.56369000       0.70804852       0.28831914      -0.31032212 
Hf      10.17169997       2.67257999       7.42110002       4.47435750       1.28530250       0.84100705 
Hf      10.30710005      10.19599999       4.85350003      -2.64539209       3.98641630      -0.58034984 
Hf       7.88261002       4.91718001       7.21641003      -3.77697296       1.78539795       2.58847695 
Hf       7.57938005      10.34420004       7.68651997      -0.04067618      -0.46698206      -1.35810360 
Hf       7.61525998       2.40006996      10.00320003       0.64842712       1.42082914      -2.49981595 
Hf       7.50025998       7.85810999       4.61001995       7.51785954      -3.48998265       5.31228402 
Hf       2.15243005       2.36553997       4.58950999       2.83956246      -0.83944301       2.22823100 
Hf       4.99857002       2.73258002       7.50102998       2.58844584      -3.75035187       2.70881300 
Hf       4.97645997       0.18139202       5.11309004      -0.84764813       0.11371407       0.54028954 
Hf       2.57316001       2.84850996      10.21699999      -1.79900965      -1.52505809       0.14258371 
Hf       2.72537000      10.28730001       2.04799996       0.42098544       2.00233994       0.47035480 
Hf      10.12209998       2.81803995       2.06087005      -2.69905237       0.03385216      -2.71929591 
Hf       7.79613005      10.27920004       2.08936004       0.76123840       1.54395310       0.40624542 
O       6.00937995       4.16555003       8.47643003       0.28814382      -2.95912422       3.17338204 
O       6.60341001       6.34387997       3.62030002      -1.93566556       0.67897978      -1.99099455 
O       8.72736996       6.16027999       6.05555003       2.58689227       1.12157764      -0.57320225 
O       0.89334396       1.78043996       5.96526001       0.56990649      -0.93790452       0.22439611 
O       3.28488002       4.74964998       9.44952005      -3.10500156      -6.29250168      -1.89838454 
O       3.52679999       6.73308000       6.35466999       0.28668135       1.58041268      -0.21219107 
O       3.88984997       4.25860995       6.94581000      -0.02371727       3.03000884      -0.81573139 
O       6.46541001       6.40557000       0.61779002      -0.34343641      -0.17793166       2.57224126 
O       6.64618001       3.76263004       6.17589005      -2.62715489      -1.12234821      -0.69416835 
O       1.82397002       9.79504998      10.08380004      -1.75460261       2.88104148      -1.98126193 
O       7.14605004       3.42189996       1.01595998      -0.48913501       1.11656179       1.67346987 
O       6.05047001       6.24155999       8.69364001      -1.69606719       4.90179035      -1.58312322 
O       9.44580996       8.98333999       1.10105997      -0.93520722       1.55037612       0.05538218 
O       6.09247000       9.20812004       6.48106999      -1.59151871      -0.98100030       0.54203480 
O       9.09854001       0.97655395       6.09502995      -2.15883388      -0.32820042      -1.24412412 
O       6.67435999       8.90701002       1.33146995      -1.17869624      -1.49188060       0.19751286 
O       9.07410006       6.46684002       1.02496999      -2.70982750      -1.00375614      -1.51189759 
O       0.59184397       8.44142005       4.85730997       1.44267349      -1.21250567       0.87571954 
O       1.33632997       0.57885100       3.74151000       0.30248513      -1.10280396      -0.54322878 
O       3.92099003       1.10386996       3.40542004      -1.43484917       1.30592646       2.11886680 
O       6.22162996       1.07537997       1.06715995      -1.23406523      -0.35347368       1.43671481 
O       4.08493997       3.86858005       3.91719004      -2.43489567      -1.16129394       0.29903263 
O       6.44180997       1.15742004       8.98240996       0.86057943      -0.40353988      -0.80469466 
O       3.95003003       9.03009995       0.64833402       1.05020399      -0.19013018       2.85189370 
O       6.54270005       3.63508001       3.82934996      -0.43433772      -0.90154148      -1.76467941 
O       8.75036002       6.50028004       8.77697005      -0.05208434       0.32914258      -0.41829625 
O       9.20497000       6.81988998       3.71817999      -0.70568563       1.24105848      -0.23710571 
O       3.67443998       1.45446003       0.99761601      -0.94063108       1.28710114      -0.82188590 
O       0.68889396       4.25704995       8.64266999       1.27809755       2.10323699      -2.21114535 
O       3.17303005       6.81001000       9.17521997       4.39836035      -1.18214826      -7.49951715 
O       0.68871499       7.43894998       8.96050002      -0.17941681      -1.22035812       3.25575773 
O       6.29016997       1.05971004       3.98221002       1.67355408       0.43573521      -1.36929198 
O       3.84492005       9.42700998       8.58005997       2.17825624      -4.23727189      -0.97378297 
O       3.69064003       6.49810996       3.55873004       2.21155047       2.23975437       2.16625337 
O       0.78807301       3.11352999       3.46244001       1.86542098       1.40882016       1.76191747 
O       8.94609997       1.45964995       3.07779000      -0.02072484       0.56039750       0.61087473 
O       1.68986003       4.27284003       0.83174300       0.94837992      -4.43665613       1.12037554 
O       1.51744997       4.43810998       5.85527001       2.19298964      -2.73122249       1.38654450 
O       9.02697001       3.49487004       5.92030999       1.99085369       1.65889004       0.53397269 
O       3.76744998       2.06139996       6.26503003      -2.30070766      -2.61497785      -4.83419953 
O       8.91964002       4.26414997       3.52331000       0.52239411      -0.67611371      -2.49404570 
O       8.61091001       9.00382002       6.29633996       0.46474707      -0.65467784       0.37104580 
O       3.05763997      10.00579996       6.13391005       0.40617228      -2.91128862      -2.00140975 
O       1.13488003       5.63997002       3.60696000      -0.05251650       1.84632257      -1.29908088 
O       0.87782401       6.51508002       6.89907003       1.29188042      -0.68098650      -4.55511489 
O       8.61335996       9.44600003       3.73967997       1.03852388       0.07696195       0.72935448 
O       3.92281996       1.20776000       8.75115001       1.35828165       3.21501582       1.56307074 
O       0.90479995       9.31263000       7.69213001      -1.71925337       0.77996276      -3.14752119 
O       9.21699002       1.36277998       8.35117996      -1.47135587      -3.62465032       4.45913051 
O       8.65529004       9.47095000       9.15946998       0.35590517      -0.83540450      -1.04334679 
O       6.14559996       1.17145995       6.49957995       1.99275507       0.98556954      -0.55812285 
O       0.73167097       1.62330997       0.77829696      -0.58117952      -0.41264469       1.07808201 
O       8.71473996       3.67662000       8.40067005      -1.31991092      -0.45659959       0.97943556 
O       1.60399997       8.84965001       1.71646001      -2.67365387      -3.37598138       2.13898772 
O       6.12154998       6.44077998       6.06254005       0.26374237       2.26262789       0.88792919 
O       1.07796996       6.29014998       0.89117503       1.13819085       3.70789967       1.29080512 
O       1.44607998       2.06023003       8.82672002      -0.58575606      -2.86838052      -1.45704782 
O       8.43915002       0.86990197       0.49591303       2.04560473       1.11776343       0.06173021 
O       3.79041000       9.18773002       3.40777004      -0.36896258      -1.66313591       1.66852803 
O       3.63051000       6.34760995       0.99265405       2.49355110       4.07244291      -1.78221749 
O       6.09722002       8.80150002       3.96716995      -3.04721179       3.20202759      -1.11466186 
O       9.56902999       3.92125002       0.14923202      -1.92213322      -4.21538842       4.00111351 
O       4.92839999       4.33206996       1.64092998      -0.83276636      -0.77239315      -1.37822966 
O       6.20321001       8.85805005       9.25194996       0.38853273      -0.12650387      -1.68611788 
96
Lattice="10.46659558 0.0 0.0 0.0 10.46659558 0.0 0.0 0.0 10.46659558" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.006724665364683869 0.0025723559540783434 0.007985191335279782 0.0025723559540783434 -0.015160472269200647 -0.008348562553185397 0.007985191335279782 -0.008348562553185397 -0.004107537561441866" pbc="T T T" energy=-926.27509136 free_energy=-926.27509136 config_type=crystal 
Hf      10.08700000       0.03209634      10.45050005      -1.40637502      -0.89736705      -1.61139638 
Hf       5.08058995      10.27630000      10.13439997      -2.33314136      -0.20940094       1.70377484 
Hf       0.20379896       8.49238004       7.83018000      -4.43133947      -0.67078025       0.95157309 
Hf       7.88329996       2.77217005       4.58243003      -1.36968761       2.82228869       3.58038824 
Hf      10.18400001       5.51364001      10.31989996       0.13818092      -4.67087311      -1.14857474 
Hf      10.42449998       8.14887998       2.24243000      -2.41875707      -2.42761466       3.71862107 
Hf       2.19256003       4.98931004       2.43396002      -0.56128070      -1.11852557      -1.44159857 
Hf       7.37736001       5.10393004       2.05451003       4.05258611       2.20657716      -0.85183612 
Hf       7.59903005       7.85172998      10.07050004      -0.10338579      -1.19292444      -1.76812560 
Hf       5.62097997       7.76422998       7.48318995       1.22580747      -1.69312207      -0.73003650 
Hf       5.12024998       7.64964001       1.96428996      -1.34401541       1.31412671       1.50084356 
Hf       4.56922004       5.24918001       9.92607997       2.14525208       0.69959226       1.20288805 
Hf       2.64025002       8.26737001       5.36559001       4.92165879      -2.17915743      -2.88270144 
Hf       0.09024320       5.04331997       5.04872995      -3.01473638      -0.87662456      -2.39698749 
Hf       4.68152001       5.73151999       4.70017002       4.91649388       0.11220314       2.99358713 
Hf       2.14430002       5.33867997       7.43680996       2.40059125      -4.47008475      -0.67207661 
Hf       2.08692005       7.58789997      10.42779999       3.72338601       1.47438436       0.22075761 
Hf       2.39610004       0.23129502       7.77970997       1.59916769      -1.28166804      -2.73009700 
Hf       5.10823003       2.40850002       2.23835996      -1.84369179       0.20057464       1.59912188 
Hf      10.02189997       2.45730000       7.42977996       0.50902643      -0.03460560       1.54040997 
Hf       0.03702391      10.30199999       5.06405001       0.21886632       1.06776224      -1.30934845 
Hf       7.89144004       5.09882004       7.20680997      -3.19850964       1.23330594      -1.80706675 
Hf       7.93572996      10.35590003       7.45182000      -2.43727686       1.35637477       1.51174069 
Hf       7.49115995       2.44444001      10.37660002       3.55143963       0.63608956      -0.87783001 
Hf       7.71978996       7.73904996       4.63973004       0.48868106      -2.79160070       0.50508444 
Hf       2.87958003       2.41405004       5.02372996      -1.82316251       0.95194181       3.46176409 
Hf       5.63770998       2.89799004       8.00101996       0.23019638      -0.49112148      -4.50698134 
Hf       5.47205005       0.13754404       5.29244996      -3.20218680      -7.10618315       0.10506909 
Hf       2.54661000       2.53397001      10.07659997       0.47785530       2.60134614       1.38115694 
Hf       2.68510001       0.28621104       2.18361004      -0.02072166      -3.81716991       3.14113947 
Hf      10.12699998       2.32773998       2.32838001       2.12563292       3.05595056       1.54175151 
Hf       7.68855000      10.17129995       2.31196996      -0.45837060      -0.74101276       2.74019786 
O       7.76564998       3.04518000       8.49325997       0.39559597       0.74702198       0.20613947 
O       6.53421995       6.28119000       3.42141999      -2.84198074       0.56553896       0.81362999 
O       9.03499997       6.29790002       5.69915999       0.27269273      -0.09957860      -0.60300457 
O       8.56612998       1.36915996       5.97223996       3.69220242      -2.38229764       2.72288265 
O       3.90842000       3.76826004       8.75114003      -3.19756554      -0.81017505       3.47819528 
O       3.72161995       6.28956003       6.37311005      -2.03693525      -0.27148050       0.72308791 
O       4.11268001       3.24416003       6.61464003      -1.17282167      -1.37429829      -3.25564438 
O       6.23680002       6.30052002       0.81020200      -2.62038141       0.43733460       0.35105066 
O       6.76500995       3.71150995       6.09417004      -0.86191999      -0.58090315       0.36906837 
O       7.48030997       7.03680001       8.15965000      -0.22932100       1.24059345       1.15574572 
O       5.94417996       3.65742999       0.28520604       0.55800279      -1.33953508       1.87142140 
O       5.95609995       4.80446002       8.56086005       0.94151131       1.55845336      -0.94761327 
O       9.00031995       8.78595999       0.72533800       3.59382228       1.80521322       6.05012592 
O       6.69834004       8.87560000       1.25733999      -2.79939514      -1.54881106      -2.54332488 
O       6.42770004       1.08888003       6.58350003      -1.06621312       0.65707470       3.78578308 
O       6.14286002       9.63811001       8.75810000       1.21720751      -6.19446821      -3.31824105 
O       8.34406995       6.06724002      10.37464507       0.61813775      -0.40510330       2.31801656 
O       1.58271002       9.19077996       6.61435000      -1.19332283       0.83110142       0.24561281 
O       0.89023001       0.84125702       3.54262997      -0.59588986      -1.12482981      -0.54356809 
O       6.43883995       9.03062001       3.82687005       0.63112644       1.61830282      -1.27700303 
O       5.84674998       0.60237403       1.87995997       2.59535819       1.36246333      -1.36746330 
O       3.48231003       4.49469003       3.93576995      -0.28721482      -3.09714762      -0.00119621 
O       6.70991997       1.01184996       9.33365998      -1.71365518       3.12108913       2.29036240 
O       3.86575000       1.13513997       0.84763096      -1.46427900       1.44873080      -1.33248525 
O       6.63971999       3.68868995       3.14384995      -2.59728814      -1.91260521      -1.27738236 
O       9.36695998       5.11509005       8.30168997       4.52995591      -0.94666150       3.07314916 
O       8.59612996       7.11164999       2.71312003       1.34573746      -1.13122687      -0.70176153 
O       3.16385005       1.91380999       3.21983001       2.64396814       0.20980535      -2.12047124 
O       0.87054998       2.95507004       9.12345002       0.71388122      -1.57673216      -1.29320091 
O       4.70102996       7.45700002       9.23499002      -0.53201655      -3.44853340       0.94646465 
O       1.77265999       5.24089005       9.34782997       1.47150156       2.69767371       0.92898829 
O       5.63519005       1.61979997       4.27956998       0.56182194       4.35874334      -3.90247722 
O       1.23416998       9.28074998       1.14223004      -0.14607226      -0.54560888      -0.84292108 
O       3.93587001       7.20383997       3.79295995      -0.20092944       0.90745540      -1.20944193 
O       1.01990003       3.23127000       3.61946001       0.81522682       1.91565509       1.62710397 
O       8.66323005       1.26268999       3.59166000       0.39825457      -0.79735818      -1.32669776 
O       0.89617200       4.11485005       1.30257002      -0.93485603      -0.98886433      -1.84201819 
O       1.13382997       3.76341003       6.27052998       2.45148496       2.65853154       1.22244303 
O       9.22324996       3.65399999       6.12814001      -0.25267934       1.27595460      -1.04748113 
O       1.07414002       1.31873997       6.52094004       0.04791717       0.76018447      -2.04712831 
O       9.06949996       4.23927003       3.65239001      -0.11812926      -0.39583877       0.62583989 
O       9.21822997       9.22785002       6.47783001       3.56813836      -1.10370178      -0.12437357 
O       4.28357000       8.75391996       6.48827997      -1.24596091       1.35705845      -1.15375721 
O       1.24088995       6.14245004       3.69032996      -1.35999541       0.54931608       2.74777974 
O       1.03001003       6.70698995       6.91742001      -0.93639927       1.98159746      -1.34418361 
O       9.31581004       9.03477001       3.85093003      -1.00977780       1.73333344      -0.69511034 
O       3.93340000       0.98881299       8.77005997      -0.00951746       2.19407902       1.11793658 
O       0.00947269       7.26028004       9.50222000       3.28076985       2.77612877      -0.60967857 
O       8.89194997       9.29908002       9.22580004      -1.09325557      -2.16922350      -4.82111815 
O       6.86910003       8.94620001       6.24739996       0.07589268       1.19735109       0.21981420 
O       3.35635000       0.37479696       5.67154001      -0.19749540       2.55629697       0.83984053 
O       0.78956595       1.37103997       0.89682197       2.39967014       0.66682837      -0.13338072 
O       9.25497002       0.96483998       9.01647001      -1.94752945       5.12498661      -1.13924075 
O       1.23783004       8.89303002       4.16546002      -0.44892292      -0.45802434      -1.11390719 
O       6.34956000       6.32317999       5.99007002      -0.67903633       1.37608808      -0.30608990 
O       0.92861698       6.52624995       1.32356004      -0.80075440       2.10462111      -0.64360673 
O       0.48741805       0.01409379       8.22763002       1.54712668      -2.57814715       3.43260097 
O       8.64324000       1.12048998       1.24331004       0.36714302      -1.44565719      -2.24655823 
O       4.02379998       9.77404000       3.41141999      -2.19767309       0.48008070      -0.87316494 
O       3.48331001       6.23145002       1.15827000       0.20277850       1.23841448      -0.74115415 
O       3.84853998       8.92286002       0.85532402       0.99832888      -0.81981442       1.40615205 
O       8.92655002       3.62704997       1.26693000      -2.32077703       0.59982400      -2.14337902 
O       3.54266995       3.58562999       1.18621999      -0.05550899       0.32315318      -0.90474971 
O       2.89017003       9.12310002       9.18861997      -3.52796815       0.04786538      -1.44046931 
96
Lattice="10.46708912 0.0 0.0 0.0 10.46708912 0.0 0.0 0.0 10.46708912" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.026668822247989703 0.009695547268842034 0.0024980769648239773 0.009695547268842034 -0.04531319750736935 0.0040284747487934385 0.0024980769648239773 0.0040284747487934385 -0.01907442259065075" pbc="T T T" energy=-922.53120335 free_energy=-922.53120335 config_type=crystal 
Hf       9.65167995      10.28830004      10.34400002      -0.10464282      -4.28517019      -1.87105497 
Hf       5.06539998       0.01298223       0.13658201       7.44320740       4.76022417      -7.06156000 
Hf       0.23919601       7.77983000       7.17783002      -2.03667934      -2.57211499       2.95187262 
Hf       8.30501996       2.48288000       4.78992002       0.71957021       0.45942039       1.88920899 
Hf      10.16139998       5.51105996      10.34569998      -0.41218514      -0.76689695       1.52402999 
Hf      10.23649998       7.82916997       2.45103001      -1.22090788       1.40134496      -0.78066222 
Hf       2.46198005       5.75021002       2.02567001      -1.27717291      -1.70732093       0.64042115 
Hf       7.32788998       5.43969001       2.50192999      -0.45293979       0.09074321       0.36905109 
Hf       7.35435999       7.87615003       0.31879603      -1.79660223      -0.71340122       0.99551849 
Hf       4.74110999       7.85290001       7.75901001       4.46417669       0.10524406       0.13969494 
Hf       4.44042998       8.33851004       2.10555002       5.19113388      -6.54202258       6.76200932 
Hf       5.14455996       5.12293998      10.07290001      -0.51176501       1.08130714       1.00278963 
Hf       2.71560002       8.03759002       4.94096995      -0.19493637      -4.71711156       0.37438909 
Hf       0.11769101       5.25094002       4.57027003      -1.20583916      -0.39850983       1.24228306 
Hf       5.63814005       5.14243996       5.54359000      -0.04161221       0.25865565      -0.52997113 
Hf       2.45460002       4.97733000       7.54340996      -0.82148122      -0.85530228      -1.47089618 
Hf       2.16225003       8.40619003      10.20660001      -3.21483759      -0.74160870      -2.00318344 
Hf       2.49623998       0.25365504       7.08587999      -0.64564863       0.82740111       3.30851401 
Hf       4.63114003       2.93551995       2.48901999       2.65744444       1.10531008       1.07942318 
Hf      10.45286801       2.12983000       7.70999002       0.15552050      -3.09556691      -5.23894101 
Hf      10.42930000       0.10395599       4.79905004      -4.54081563       5.75763766       4.38788696 
Hf       8.57520997       4.92477998       7.78470996      -0.29074305       0.08748050      -3.74953650 
Hf       7.83943002      10.16480000       7.25987002      -3.42667548      -0.30751576      -1.52203556 
Hf       7.89753001       2.54802999      10.06250001      -0.54642808      -4.94422017       1.57384562 
Hf       7.72761000       7.65239005       5.59859999       3.63409801      -2.30465660      -5.80790620 
Hf       2.28553999       2.71912000       4.60017001       0.02907432      -3.41214615       3.15417461 
Hf       5.39082001       2.61799996       7.68199998       1.61320295      -1.62748712       0.31769338 
Hf       5.30935005      10.34259995       5.24778995      -0.74253237       2.68296110      -0.73577050 
Hf       2.59602996       2.73815995      10.24159997       0.59047808       1.10179317      -2.72956197 
Hf       2.50245000       0.28001201       2.04922002       0.68823857       1.09099667       1.96657437 
Hf      10.30590003       2.98834997       1.77503001      -0.16630646       0.77683807       2.61168563 
Hf       7.53471997       0.12664204       2.82154999      -0.40048286      -2.24721885      -1.03126891 
O       9.58330003       3.60594999       6.04583998       1.12968485       2.49594482      -0.02819865 
O       6.89575997       6.13825998       4.34867998      -0.15766349       0.55292973       1.80497648 
O       9.00629002       6.58753005       9.24035004      -1.64120584      -1.25179105      -4.35751998 
O       9.31032997       1.20393003       6.20783995      -3.02075237      -1.22167816      -1.33511782 
O       1.14606001       1.43571001       6.04499005       2.91601837      -1.74356554       0.16768982 
O       5.77490000       7.07047003       9.85753996      -0.37207087      -1.08244355      -1.35370328 
O       4.52350004       6.92793005       5.99503000      -2.02692458      -1.29233019      -1.14616381 
O       6.00637999       6.92706997       1.99828999       0.09973022      -1.23736455      -0.12818883 
O       7.36751000       3.91609005       6.28644999      -3.93917841       1.26254269      -0.25974270 
O       3.43377004       9.05203999       8.55660995      -3.53800488      -0.59812683       3.12036058 
O       6.11390002       3.89595001       1.53347995       1.88715721       1.45550304      -3.70922040 
O       4.17319002       3.88067999       6.53407996       1.15859537       0.87533310      -0.14724088 
O       9.82944996       1.70540995       0.19240101       0.02410639       1.63835630       0.91117630 
O       6.15434004       9.24584998       1.34299997      -1.62136155       1.34683243      -1.82224290 
O       6.70870000       1.27914999       6.38898999      -1.61731971      -1.34419752       0.63410049 
O       8.09133005       9.12918003       9.71557996       2.67930401       1.88553864      -2.65142582 
O       8.31174999       6.33972998       0.92430499       1.88042084      -2.21356628       2.23206947 
O       9.36553004       8.93087004       6.16977000      -1.40737727      -0.49481527       3.85442912 
O       1.18211997       8.98960004       6.13637998       3.57692166       2.42547557      -0.32251821 
O       3.63379998       9.41264000       0.79368399      -4.53660676       1.78728986      -0.99786213 
O       7.28831004       1.04382000       0.94294897      -0.06823969       1.12077564      -0.68204997 
O       2.91441997       3.57912996       3.03340995      -2.12912717       5.47688270      -1.29249274 
O       5.94560001       1.34998999       9.18834002      -0.74808430       3.12003946       0.30397912 
O       4.11691005       1.48629996       1.20270005       0.16851734      -1.67196804      -3.59137537 
O       5.47062005       4.18614995       3.77819002       0.05302223       0.72852661       2.65508142 
O       0.50021696       0.50181800       8.46563996       4.08749067       0.47103915       0.32441460 
O       8.86437995       6.98676995       3.41141003      -0.44045021      -1.34163223       1.14986210 
O       3.60790001       1.43872997       3.42592998      -1.04140896      -2.02048132       0.90725123 
O       6.06538004       9.67959003       8.58776995      -1.45659937      -2.35761340      -1.64406625 
O       3.93527005       6.10674001       8.57345003      -0.85727679      -0.13542828      -0.20567882 
O       1.37028003       3.41225001       8.27576999       5.28395897      -0.83519484       1.31753807 
O       6.60655995       1.59437004       3.86856004      -0.51676446      -0.06526654      -0.20795804 
O       1.00395996       9.49795997       1.12524997       1.40978103       1.02487026      -0.07595699 
O       3.64012995       6.75636995       3.41576999      -0.93847169       0.48652699      -0.89189577 
O       1.18475998       4.26025998       0.62118500       0.96048774      -2.17121423      -1.48928760 
O       0.42083497       2.41974000       3.96573995       1.92152292       0.65374125      -1.85486014 
O       4.17272005       3.67085002       9.04102003      -0.04668854      -0.66599380       0.38494378 
O       0.00101091       5.10390998       2.35299002       2.12041230       0.46766492       2.00237902 
O       9.66034995       3.48668002       8.63547005      -5.89242737       4.88978725       4.49481772 
O       1.76115997       6.25448004       5.94405999      -0.91512201       3.33603774       2.03181407 
O       8.85518995       3.70860000       3.28884000      -1.72274904       0.67104780       0.79014174 
O       9.29581002       6.37096995       6.16076997       1.97960188      -1.30885645       1.10735720 
O       8.29950004       9.53605002       4.34186004      -1.96181142       0.09608693       0.21606401 
O       1.05141000       6.99764002       3.75248997       1.75238539      -2.18314783      -0.28403097 
O       1.63504997       4.10399000       5.72991999      -0.45017054       0.52277538      -0.53563762 
O       9.29905995       0.96938601       3.29968997      -1.01723823       1.47842467      -1.00860923 
O       3.16937000       1.09391998       9.08178003      -0.36883307       0.69666646      -0.19401634 
O       7.00908003       3.65368996       8.75848995      -2.02580464       3.59595463      -1.13362519 
O       8.74847996       9.24763001       1.58877999       1.75826971      -0.67784871       0.14161817 
O       5.45604996       9.52318000       3.49587002       0.11548808       0.48078901       0.62067671 
O       3.69479003       1.32997995       5.82609003       0.97265709      -0.50137096       2.17127439 
O       1.72102999       1.94061999       1.36955005      -1.87225672      -0.76943267       0.23760330 
O       0.34903995       8.92514004       9.16170997       1.93957638      -4.10031151      -0.63915385 
O       0.35489702       9.19554996       3.85082000       2.10011130      -4.92646202      -6.03043400 
O       6.71013002       6.93599002       7.07607003       0.79785742      -3.57340444       2.18130482 
O       0.77064697       6.96058004       0.66292095       1.71679748       1.19265315       1.41632974 
O       0.84022098       5.71297995       8.59663003       0.60841101       2.24614063      -0.76224188 
O       8.76973004       0.52359101       8.50676002       0.62231002       4.83729147       4.35982976 
O       3.63169997       9.27447998       6.26535001       2.25299505       0.17123207      -1.34585309 
O       3.42540997       6.96200000       0.79435095      -1.22362885       1.29217215      -0.65974358 
O       2.95342003       9.39973000       3.59461005      -0.04984850       0.39434812      -2.72961149 
O       8.74242999       3.83398003       0.68937201       1.10856707       2.17257294       0.73563137 
O       3.69291004       4.46675000       0.88054303       0.09752649      -0.68547572       0.08243848 
O       6.26408998       8.75461001       5.88741995      -2.69312997       4.77210115       1.40185368 
96
Lattice="10.46776524 0.0 0.0 0.0 10.46776524 0.0 0.0 0.0 10.46776524" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.04384112204491357 0.010764356648387815 0.001724046921007225 0.010764356648387815 -0.04499846412313845 0.025077424285431194 0.001724046921007225 0.025077424285431194 -0.04478787527443117" pbc="T T T" energy=-921.71822453 free_energy=-921.71822453 config_type=crystal 
Hf      10.32260005       0.03157235       0.02883472      -0.09941414      -0.52954488      -3.58892168 
Hf       4.74053004       0.16320701       9.90666005      -1.15920766       0.69720051       1.17492844 
Hf      10.46350004       8.23504995       7.20213997       0.97052443      -1.42513165       2.61623285 
Hf       7.54451995       3.15179000       5.06322999      -3.30302124      -2.86039466      -1.66176378 
Hf       0.09259670       5.51014997      10.03170002       2.18176526       0.31314785      -0.68210897 
Hf       0.13502004       8.05291000       2.21160997      -0.36891766      -1.31633210       1.35822243 
Hf       2.37706996       5.05011001       2.79025003       1.24840561       1.09307996      -1.50239980 
Hf       7.58952998       4.97954000       2.27118998      -2.33453867      -1.85215826       3.50026327 
Hf       7.86014003       8.08642998       9.98401998      -1.87630907      -5.82637519       0.51409356 
Hf       5.14584003       7.55753997       7.55847997      -0.98547793       3.44389763       1.39263396 
Hf       5.65083004       7.69943000       2.23377002      -1.24018979       1.26664672      -1.38908416 
Hf       5.18323005       5.20900001      10.09619998      -1.37795808      -1.87894783      -1.04504788 
Hf       2.71868998       8.09818999       4.96847002      -0.95820322      -2.63682718       0.29087601 
Hf      10.02099997       5.71815002       4.86865004       1.25901060      -1.41623015      -2.44884693 
Hf       4.86636001       5.21086997       5.38289000      -1.24240133      -2.33081953      -4.07428285 
Hf       2.26247996       5.66017001       7.28599996      -1.18422842      -1.01526917       2.88772905 
Hf       3.01702997       7.79945002      10.27620001      -2.97282561      -2.63803730       3.86663949 
Hf       2.22679995       0.10049400       7.54861997      -1.57844686      -3.25345865       4.06973805 
Hf       4.69132997       2.38135996       2.67828001       0.10457752      -0.21389781       0.24819397 
Hf      10.04500005       3.01459999       7.58090999       1.99643560      -7.26776507       3.31840529 
Hf       9.57584999       0.36018795       5.06917003       1.13568685       5.89015200      -3.49491809 
Hf       8.06331998       5.27729998       7.81791998      -2.75062593       2.12184423       1.22074668 
Hf       7.85180005      10.27699995       7.77728997      -4.27836641      -1.61630371       1.58526052 
Hf       7.94357000       2.68936003      10.36329998      -1.65202107      -2.88210837      -2.44681463 
Hf       7.41960999       7.60979003       4.99216999      -5.11567480       0.44413318       2.48925249 
Hf       2.03384000       2.46784998       5.39907003      -0.63757199       0.82640533      -2.82364039 
Hf       5.33326002       2.78912003       7.62902004      -1.40044474      -1.63280123      -1.33229632 
Hf       5.40669004      10.30689997       4.74885003      -3.61868085       2.22011074      -1.94668290 
Hf       2.11959999       2.94946003      10.17960001       4.80490393      -3.27189625      -2.27526037 
Hf       2.34887995       0.04166600       2.13881001       8.95002007      -3.66256526       2.38595591 
Hf       0.06537203       2.70795999       2.37664005       0.37657389      -4.33791501       2.98013936 
Hf       7.67459000       0.12143895       2.00120004      -4.93521716       0.53914873      -1.42225108 
O       8.88904002       7.44461005       4.00218999       5.51234749      -0.30942498      -4.21335881 
O       5.99325995       6.54794997       3.79175001       1.42968654      -1.57832502       0.21558377 
O       9.15296002       4.04054001       9.25584998      -0.00786940      -1.52914077      -0.72320038 
O       9.45984998       9.84307005       6.62152004      -1.65087821      -1.81296968      -0.33194404 
O       0.62024503       0.92527801       6.57675998      -0.67661130       3.65968520      -1.50417433 
O       6.21098999       6.56738997       8.91318005       1.99796094      -2.40628402       1.52658223 
O       6.13479000       6.39039001       6.22148005       2.49781632       3.86082307       1.80438803 
O       9.18668998       3.93199001       2.19991004      -1.00751777       0.52804287      -2.17659420 
O       6.57741003       4.29215996       6.54817000      -1.13405715      -2.82177248      -1.13058252 
O       3.31101999       9.02762999       8.94222998       1.93261683       2.07521079      -3.44486581 
O       6.69789997       3.90077995       0.68148303      -0.47830766       1.91130618       2.49521755 
O       3.87020005       3.78552996       6.59397998      -0.62922767       2.84448661      -0.96187759 
O       7.90804000       1.38516002       3.64319997       5.78108613       0.77767429       3.32566266 
O       7.31493004       6.45855997       1.20519003      -2.30383586       3.22691107      -1.47915180 
O       5.60585005       1.97512002       5.21656998       1.49288523      -0.03968241       1.25385768 
O       8.72146000       8.26462003       8.21703995      -0.26571828       2.43798207      -1.69276977 
O       9.95384999       6.59158003       0.90733197      -1.08678039       3.86453279       4.55051655 
O       6.72365005       9.64807997       5.93634001       4.26434787      -2.83995842       1.33144703 
O       3.82570996       6.69981003       6.37608005      -3.72210267      -3.35007718      -1.59053574 
O       3.91650002       9.30154000       0.90774398       0.73121297       0.23146779       0.10399677 
O       1.65728004       9.06596996       3.14939005      -3.69066350      -3.23512344       3.64963168 
O       3.79506997       3.47152003       4.07189997      -3.63063178       1.33300628       1.31181886 
O       2.97820995       1.34692996       6.45292004       4.98828460       0.92242822      -0.41715245 
O       2.95232997       1.17523003       9.20874002       2.32706068      -0.78257454      -0.25379572 
O       6.15765997       3.98011002       3.32204003       0.28237492      -1.02259914       0.31730269 
O       1.07560004       0.92238305       1.28653001      -5.03104628       6.40695355      -2.26154914 
O       6.82556997       8.92434005       1.02759005      -2.90120319      -0.97137604       3.02428479 
O       5.76467002       0.54014297       7.55215996      -0.85043230       3.34171177       2.93986780 
O       6.45891001       8.94305997       8.85377004      -2.70898555       1.09395988      -1.53856527 
O       3.80108998       6.23035996       8.69983003      -0.80032085       0.95874734       0.72217749 
O       1.32541996       4.29599001       9.03150002       1.11669545      -0.26704622      -0.63206822 
O       6.07481002       0.91704595       2.97844003      -4.37577226      -1.99041926      -0.66001580 
O       1.32488003       8.89165005       0.88841002      -0.75112275       0.30726654      -3.32637683 
O       3.43697997       6.39874004       3.93662001      -0.89250787      -3.63800989      -0.44186482 
O       1.02658002       3.78168002       1.10466997      -1.01071220       0.12123426       1.07312958 
O       0.65269102       1.17971997       4.05426000      -0.21034054       0.83683035      -0.80830064 
O       3.94998996       3.65858005       9.06208997       0.75916651       0.06378920       2.11580402 
O       0.75126303       3.71926995       4.20729004       0.17939239       1.76667862      -2.36072031 
O       9.07800004       4.20080003       6.50946000      -0.66674614       2.87104400      -0.30993799 
O       0.89048797       6.81229004       8.49510996       1.73696712      -0.76786947      -0.09447969 
O       8.35659997       4.73067998       4.31648998      -0.00119076       1.83184698      -1.59733106 
O       0.86391199       6.85403004       5.87574002       2.70762697      -2.01937198       1.00498429 
O       9.40993999       9.86404002       2.09057999       4.04646788      -4.48879199       1.42599111 
O       0.71382203       6.36701999       3.31094001       0.20105185      -0.43260253      -0.23563894 
O       1.10712999       3.92574002       6.84191999       2.36318266       0.31033444      -3.35215466 
O       8.23876004       1.50150996       8.57557996       0.68410361       2.77218399       1.54027531 
O       0.55340803       1.52707999       9.08485998      -0.90610075       3.40747183       2.38900618 
O       6.43531996       3.83112001       8.90163996       1.82915381       0.36264773      -0.52264603 
O       8.23013000       9.88834000      10.17813222       5.48695705       4.57182796      -0.69464123 
O       6.23712999       1.20395002       0.35697602       1.40005972       0.42021998      -0.97930282 
O       3.38332995       0.51418898       3.77024996       0.70162828       4.63080115       0.15729935 
O       3.68461003       1.45916000       1.07389002       0.01348467      -0.15056975       0.47205082 
O       0.63516002       9.74785002       8.70932995      -1.09166544      -2.61812145       0.31509652 
O       1.70010995       8.99074001       6.32866002      -2.85913717       2.23366930       1.80771360 
O       8.94132996       6.62542002       6.18991000      -2.19851101       1.25729806       3.88304141 
O       2.09074005       5.98154003       0.78786200      -1.18742745       0.93651027       0.07685010 
O       8.96285001       6.37328002       9.28164999      -1.87526432      -1.49437340      -1.36493167 
O       8.97485999       1.42810999       1.17350997       1.11280436       3.65678898      -1.83248774 
O       4.04818001       8.92353005       6.32004997       2.48229773       2.09461419       0.24780021 
O       4.35596005       6.73423997       0.86697497       3.27566769      -0.63102248      -0.01367552 
O       3.80500001       8.84801999       3.81029000       7.86523971       1.23829116      -4.00916655 
O       8.73790004       2.01688996       6.13772997       1.28693893      -3.16785906      -0.38294818 
O       3.63045996       3.93268005       1.61626995       0.25325212       0.62528189      -1.01241766 
O       6.69460001       8.78719997       3.58440002      -0.09529168       3.58281735      -0.49514564 
96
Lattice="10.46862476 0.0 0.0 0.0 10.46862476 0.0 0.0 0.0 10.46862476" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.027890849972387766 -0.00849993419776657 -0.01875230219936561 -0.00849993419776657 -0.05704864085731141 -0.0023142187083897313 -0.01875230219936561 -0.0023142187083897313 -0.03630032346930624" pbc="T T T" energy=-924.69988986 free_energy=-924.69988986 config_type=crystal 
Hf      10.10370002       0.46136402       0.15222605       2.40955469      -5.31422109       0.43553796 
Hf       5.32381996      10.42320004      10.18719997      -2.64328305       0.53835000      -2.75989597 
Hf       0.01611142       7.83058000       8.24675997      -2.62114943       2.31970811      -2.09856154 
Hf       7.48769004       2.52256997       4.42090003      -1.38615012      -1.05609653       3.40203620 
Hf      10.14799999       5.19734002      10.24890005       3.94247583       3.97372156       3.60616902 
Hf      10.17430000       7.72598001       2.45748004       3.20653061       2.31829172       0.61691965 
Hf       2.90712003       5.54639004       1.98315000      -0.90350617       6.58705918       3.90818809 
Hf       7.65210000       5.11729001       2.30656999      -2.75653118       1.77320135      -1.93990903 
Hf       7.69431996       7.85806998      10.08979999       3.76668025      -0.31062064       4.50525298 
Hf       5.45230998       7.80376001       7.72516001      -0.54584261       1.67739100       0.15775777 
Hf       5.12061997       8.13690997       2.29862996      -0.19011062      -0.26441149      -1.92103810 
Hf       5.29229003       5.22074002       9.51775999      -0.07757759      -2.55289587       2.38261777 
Hf       2.86563005       8.26136998       5.31072999      -1.91569232      -4.70413643      -5.43712406 
Hf      10.07480002       5.34472005       4.99057003       2.18073522       0.86896623      -3.05290516 
Hf       4.92055995       5.38757001       4.94498001      -0.01977256      -0.23569841      -1.24617792 
Hf       2.41911996       5.34908996       7.65760000      -1.43028770      -1.06195695       0.94925932 
Hf       2.45744999       7.98293000      10.22310002       2.05545468       0.05373761       4.98693623 
Hf       2.36782998      10.40320004       7.88284000       1.77394729       6.52732582       6.40058293 
Hf       4.26582002       2.89608003       2.46377995       2.87378689       1.33870747       3.53765152 
Hf      10.26890004       2.55276996       8.02783998       0.71880402      -1.54136824       1.44017426 
Hf      10.39279999       0.05165209       4.83811000      -2.36441745      -0.43407924       1.16303812 
Hf       7.64612995       5.22322003       7.12842002       0.66356321      -4.64592238       4.39623218 
Hf       8.00581002      10.10729997       7.38691005       1.54546278       0.12739205       3.29918849 
Hf       7.66039000       2.49912004      10.22390003      -2.67671200       1.93811426      -2.63134331 
Hf       7.64241997       7.60119003       4.57369002       0.61569885       0.24617400       1.87791334 
Hf       1.99552004       2.82808003       5.33703000      -0.93299304      -0.88328373      -0.87793151 
Hf       5.02318000       2.53503998       7.24689000       4.69046652       3.59483580       2.90731313 
Hf       5.03107000       0.04742831       5.10420999       2.59329513       2.61370000      -0.15649090 
Hf       2.58225997       2.72241005      10.03440002      -0.74836699      -0.38919176       1.85741171 
Hf       2.77462995       0.22670896       2.62171004      -4.90920502      -1.87584420       0.08495546 
Hf      10.41709997       2.66629005       2.42717002      -1.60879385      -0.10229574       3.58383740 
Hf       7.48607996       0.23902299       2.43471004      -1.09423252      -4.46322725      -2.25896540 
O       9.16297997       8.79810998       4.29281996       1.52465271      -0.57875950      -2.44657333 
O       6.40470997       6.07204000       3.78023998      -0.14230620       2.97452679       0.87657910 
O       9.34103003       3.81288000       9.38355997      -2.72936471      -4.05830506      -1.83244956 
O       9.65668000       9.11035995       6.77345000       3.10606695      -1.04428218       2.22121146 
O       0.91935002       1.20812997       6.29632997       0.35845617       0.09626514       1.72263133 
O       6.56127003       6.66587002       8.92226002      -0.44765364      -0.66356065       0.27111455 
O       6.31781996       6.29781997       6.41024002      -6.28012694       1.81333761      -1.19665697 
O       9.53151001       4.50181998       1.66977004       0.20859045       0.13709722      -2.21262092 
O       6.82366004       4.12957997       5.39469004      -2.08679452       0.13853730       1.98385115 
O       4.22767999       8.86259001       9.09638999      -0.96054512       1.18948879      -0.69286400 
O       6.97823002       4.76648001       0.26252003      -0.04400486      -1.43597910       1.18891833 
O       3.56387999       3.96339003       6.57166998       2.19517515      -1.11007992      -3.88743650 
O       8.83434995       1.10205998       3.39896000       2.24422604       2.58746875       1.68713468 
O       7.09110995       7.25884998       1.64857997      -0.38941494      -0.86356892      -0.28792268 
O       8.49518996       0.26021295       5.73207005       0.47363905       4.25930000      -2.20700721 
O       9.24873005       9.22362001       9.42901997      -0.26063613      -0.95444957      -1.26053310 
O       9.78704003       7.08579995       0.73342201      -2.32437931      -1.41658942      -3.01178836 
O       7.30233005       8.45467000       6.67882996      -3.13416398      -0.46392415      -1.14439956 
O       3.52015003       6.45591002       6.06447998      -0.44737736      -0.76850127       0.54691165 
O       1.62378001       8.52654004       1.74264004      -0.21129068      -0.60255681       0.32062688 
O       1.66293005       9.65102004       4.80244999      -0.36825799       0.43892978      -4.83689529 
O       3.24141997       4.25957004       3.56009003       0.46909576      -0.32398505       1.00980490 
O       4.20731998       0.98099797       6.83228995      -4.78185787      -4.54384594      -1.05806434 
O       3.47744998       0.94473005       9.66919001       2.35544035      -0.15024789      -2.34396735 
O       5.78573997       4.05383005       2.82017999       2.51515983      -0.63955811       0.06734388 
O       0.97023099       0.33411904       1.69000998      -1.15085758       2.34022091      -1.66184068 
O       3.80854002       9.75709997       1.32013996       3.05130953      -1.83113398      -1.94938055 
O       6.38073996       1.49064004       8.53034999      -2.70892767      -0.41997961       2.67432352 
O       6.78114999       9.18215996       9.09671996      -2.79835944       1.82297041      -2.88356482 
O       3.97506004       6.48808000       8.67007001       1.25638503      -1.21935366      -1.03685598 
O       1.34593999       1.49125005       9.09755002      -3.24712516      -0.48968746      -0.76139620 
O       6.10275002       1.45834999       3.44478996      -0.77479052       0.02148814      -0.28676741 
O       9.24969997       9.54474999       1.42230002      -1.91309078       1.21626184       0.98192654 
O       4.16873996       9.46540996       3.71273001      -1.55989024      -0.16421658       0.82770509 
O       0.78595399       2.97399999       0.85042805       3.82758754       0.63763669      -2.75849954 
O       1.05010000       1.41315997       3.83198000      -0.72542174       2.13415597      -0.31511221 
O       3.74514004       3.82743997       8.88534995       2.48150500      -0.03618962      -0.13708593 
O       0.81109198       6.46645999       3.71005999       0.31080383       0.73266379       0.75191455 
O       8.87835000       6.35118996       3.33170997      -0.34404349       1.42318524       1.75520151 
O       1.51376000       4.81751005       9.44591005      -0.85141445      -4.18122002       0.06008000 
O       8.53987005       3.94912999       3.61791997       1.58371893      -2.22892994       1.73960638 
O       0.36050604       6.08993999       6.64016996       2.99824652       0.52370839       1.32576293 
O       6.30549996       9.34445002       0.95308495       0.90621437      -2.27077943       2.67150563 
O       3.90916004       6.89522000       3.54204998       0.41566038      -0.55991735       0.20846056 
O       1.38083003       3.45786998       7.32146000       1.69571659       1.20053873      -1.82195235 
O       6.41690005       1.65247001       6.08235002      -1.02621314      -0.53582110      -1.87388028 
O       8.56427001       1.31537998       9.00554002       4.18394855      -1.07084131      -0.77033784 
O       6.57388001       4.02199004       8.32241002      -2.80236947      -0.53264833       0.95080826 
O       1.61377996       6.83755002       8.88068000      -1.20397399       2.83593151      -1.82811272 
O       6.45314997       1.11882003       0.93211002       0.94798583       4.18180797      -1.06480978 
O       0.87245299       3.97413000       4.13102004      -0.82624437      -1.98185964       0.96695134 
O       3.37785001       1.63568996       1.34053001      -0.86371350       1.76127222      -0.24982835 
O       1.26850996       9.39467001       9.46719004       0.08646142       0.40815735      -1.81408577 
O       1.94130000       9.15443998       6.76504998      -2.27151872      -5.97970538       1.24438060 
O       8.55489001       6.18891005       5.93747001       2.44905958       4.14256919      -4.89299301 
O       1.64282998       6.29338002       0.84486795      -0.95167064      -0.86710472      -0.64251812 
O       8.94589001       6.49543002       8.70649004       1.16595995       0.03442455       0.80881834 
O       9.02137005       1.84273004       1.02576998      -1.23513319       0.47686513       0.98600515 
O       4.30992004       8.84379998       6.25886004       5.21769555       2.86568037       1.26911245 
O       4.19547002       7.13329003       0.85253298       0.05373406      -1.31121889       0.42681158 
O       3.42621004       1.78971002       4.08852004       1.95559392      -1.55720543       0.80047336 
O       9.40364005       3.41116997       6.72478000      -3.75438470       3.08413562      -4.65575370 
O       3.93027003       4.37643999       1.00294000       1.45839856      -3.37214471      -3.13167604 
O       6.61961000       9.56077002       4.04822997      -0.09100232      -1.91190091      -0.50897589 
96
Lattice="10.46966746 0.0 0.0 0.0 10.46966746 0.0 0.0 0.0 10.46966746" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018716221720316343 0.0008616197565725957 -0.0011666958597028106 0.0008616197565725957 -0.027383999822749135 -0.003168752011538527 -0.0011666958597028106 -0.003168752011538527 -0.03606252219006291" pbc="T T T" energy=-929.70934129 free_energy=-929.70934129 config_type=crystal 
Hf      10.14590001       0.21067997      10.12679998      -3.23573791      -3.01382399      -0.85182846 
Hf       5.34711003       0.16711296      10.41760002      -1.68290117       3.57027931       4.79351952 
Hf      10.30690004       7.83685997       7.12763999      -3.80321821       5.82874506       2.55763702 
Hf       7.67832000       2.64804001       5.09679001       0.62601700      -0.36742749       1.17121580 
Hf       0.06598445       5.35085000       0.17979005       1.38986656       3.41057283      -3.48491072 
Hf       0.39582598       8.02799998       2.47911999      -5.18011549      -0.70259657       2.37554532 
Hf       2.94581997       4.92314995       2.18887997      -0.36340762       1.85475174       0.69595937 
Hf       8.15783004       5.09136002       2.42408995      -4.89416529       4.80158457      -1.38864850 
Hf       7.98815997       7.69979999      10.18879999      -1.24214533       0.76270317       2.29051038 
Hf       5.18610999       8.21229000       7.79368998      -3.11992452      -3.53187325       0.32515157 
Hf       4.96489995       7.90471002       2.13395997       5.07715891      -1.56616285       3.13772920 
Hf       4.91183004       5.29501003       9.90075002      -0.24686818       0.84578211      -0.36417553 
Hf       2.40285003       7.97424002       5.19642000       3.66779873      -0.06916202      -1.66136994 
Hf       0.10959700       4.94210005       4.75627005      -0.98245028       2.75026169      -0.84838806 
Hf       5.08562998       5.07445999       4.58612999      -0.41870977       1.66070244       1.96109143 
Hf       2.11051996       5.55775000       7.38556004       5.89292553      -0.65422415       0.49079386 
Hf       2.30297998       7.91393002      10.45209999       2.12661971      -0.30206379      -3.26618641 
Hf       2.45211003       0.09343560       7.69300004      -0.12132212      -1.84323687       0.02491375 
Hf       5.33015000       2.71889003       2.31210995      -2.77708432      -2.01311622      -0.85430529 
Hf       0.10728603       2.69743999       7.78135001      -3.30730920      -0.65850309      -1.26233283 
Hf      10.18459998       0.23228004       4.85077000       0.50634121       0.83057803       3.64673053 
Hf       7.64174003       5.22416001       7.90652001      -0.70960098      -0.75096727       1.79838293 
Hf       7.65888997      10.43540003       7.69676996       5.09638822       4.11352281       2.78087133 
Hf       7.76528996       2.79564997      10.12479996      -0.70842988       0.14486947      -0.11020532 
Hf       7.49997005       7.28475002       5.47388995       2.94683531       1.50698882      -6.17103333 
Hf       2.70346999       2.48153000       5.13064996      -0.46538314       0.79449918      -0.51344139 
Hf       4.84382997       2.92772996       7.79502004       1.15575137      -0.79308647      -1.72440983 
Hf       5.31789997       0.02305599       5.25414995       0.58154772       0.16284129      -3.03301138 
Hf       2.11780004       2.49347003      10.35589997       3.53671671      -0.70459614      -2.21235718 
Hf       2.54654004       0.41154305       2.55312997       2.63081410       1.70518258      -1.20068677 
Hf      10.28749996       2.41729001       2.17379004      -2.47954131       1.83952079      -0.08982017 
Hf       7.96457003      10.30840003       2.56796004      -2.41080593       0.42651569       1.35185319 
O       7.17734002       8.73122996       4.03496000      -1.47549470       0.81545280      -1.06216141 
O       6.51581995       6.11621996       3.47464999      -3.29291369      -1.44695011       1.46290704 
O       9.09130004       3.90817003       8.49056999      -2.14127293      -0.64631353       0.11487989 
O       8.66007998       8.77592005       5.90719996       4.56184851       1.66456275       2.05011803 
O       1.00864996       1.47825004       6.24517999       2.40763167      -0.46183868      -1.23268572 
O       6.33188998       6.56446003       9.19661997       0.50453324       1.52946845      -1.70859400 
O       6.00923996       6.69271001       6.48581001      -1.80609671       0.39675181       1.30360122 
O       9.39057998       6.64263997       1.50767996      -0.56234711      -0.35944117      -0.42371377 
O       6.63631001       3.51209999       3.38597997       2.80837588       2.20600125       3.14759413 
O       3.46455001       9.47323005       9.18025002      -0.28764154       1.18432344       0.68364571 
O       6.26869999       3.87848004       9.12690005      -1.26524299      -0.80381014      -3.02442601 
O       3.52871002       4.23841004       8.64324999       2.02281740       2.30717433       0.03992898 
O       9.05626005       1.54181998       3.76746000      -1.02761828       0.74570968      -1.94122730 
O       6.56503000       7.44023002       1.15638001       0.96173202      -0.42365711      -1.47965995 
O       8.91345996       1.20931998       6.29896005      -1.27862006      -1.35408175      -0.31073077 
O       8.58340998       8.93384001       8.54585999       0.22790554      -0.15279949       0.92284782 
O       8.69227997       6.12597005       4.22005001       1.51430963      -0.82870515       1.28964162 
O       6.46717997       9.56203995       6.69506003      -5.33582297      -2.77123396      -3.69231719 
O       3.40188005       6.06516002       5.76000000      -0.60449736       0.62916322      -1.87545909 
O       0.88939103       8.78982000       8.53340004       0.83191727       0.89900640       1.17296329 
O       0.80134395       8.77227995       0.85599896       3.05250995       3.20484564      -4.61271553 
O       4.21016999       3.48945002       5.89563998      -0.41793840       1.03332337       1.03309878 
O       3.93445004       0.96031999       6.40964004      -2.75164370      -0.14435558       0.97996040 
O       0.83340500       1.01280998       8.73110003       4.14578764       0.00348250      -0.36855237 
O       6.83350002       4.42339995       0.78680996       2.09754816       0.01580857       2.04631879 
O       1.00206004       1.06385997       0.80532996       0.65566328       1.08603732       3.28743196 
O       3.65878004       8.99391004       1.40619004      -3.57070556       3.62044802      -1.85687118 
O       3.34825996       2.03051997       8.70291998      -0.63078212      -3.82111420       0.05724448 
O       5.94493003       9.61862002       9.06969996       2.29101003      -5.69183189      -2.34094065 
O       3.83111003       6.79436995       8.16248998       0.05136284      -0.70402367       2.74809913 
O       0.99313601       3.67643001       9.37876004      -1.31725201       0.14134757      -0.56677129 
O       6.26377003       0.94077898       3.79825004       3.43599621       0.00002389      -2.23069802 
O       9.03784003       9.34620001       0.65900599      -2.14462688      -0.08616725       0.97039386 
O       1.60914004       9.48228003       3.43782995       0.42369571      -1.52015788       0.60751492 
O       1.62181996       3.81500004       1.29190001      -2.13640939      -1.45182321      -0.03716838 
O       1.05638997       1.71184999       3.54668005       2.68124502      -2.23121517       0.01236984 
O       4.31477003       4.01365004       0.92993795      -0.70498591      -0.37808545       1.17768287 
O       0.81350803       6.62886995       3.58700000       1.95448167      -0.47195373       3.20111544 
O       9.61868996       4.17305000       3.06359001       2.79846461      -3.54118348       2.12149960 
O       1.16558996       6.16936996       8.86820996      -1.85678775       1.91012480       3.44013373 
O       9.61629000       3.90572002       0.79991505      -3.42938233      -3.45080749       0.27237955 
O       0.67444498       6.46684002       6.21383998       2.79547635      -1.63864620      -2.28342503 
O       6.36675000       9.88929998       1.68566001      -3.86332462      -0.82334112      -3.52247388 
O       3.74203002       6.60983997       2.90050003      -0.34391194      -1.60773604       4.79800465 
O       1.37818002       3.85033004       6.89299003       2.00962385       0.61345567      -2.58582547 
O       6.09991995       1.89287997       5.89369001       0.90400470      -0.22564116       3.22992913 
O       6.55983003       1.22737000       8.97961004      -0.55717697       2.65886482      -0.09082742 
O       6.76290996       4.26752000       6.41091001      -0.04726300      -0.73039284      -2.37829499 
O       1.04455003       9.39098003       5.89431002      -0.58002722      -1.49620701       0.59617833 
O       6.26295005       1.85752003       0.94584599       1.01557608      -1.36852359      -2.82057148 
O       1.68401000       4.25538001       3.87938996       0.34276469      -1.14810220       1.05347577 
O       3.66697998       1.55498998       0.92280497      -0.33811613      -2.40664642       1.56946818 
O       9.07360002       1.39252995       8.92279001      -1.25919932       0.07533255       0.82647285 
O       9.49236002       9.52008998       3.45688998       2.66071333      -1.94449537      -0.91575439 
O       8.77118995       6.59267003       7.24298997      -0.42883317       0.28771190      -2.41652104 
O       1.50162996       6.48233000       1.24254998      -0.07408279      -0.66156537      -0.74986687 
O       8.70205005       6.06578004       9.55880000       2.69273375      -0.65969415       1.84216921 
O       8.68554996       1.53891998       1.00274999       2.69225464      -1.34465362       1.99644811 
O       3.36226000       8.67741000       6.75245998      -0.35660697       1.61416530       0.94811392 
O       3.90877004       6.46367001       0.71423799      -0.23218233       1.48137183      -2.46051818 
O       4.03163002       1.34884998       3.74475998      -3.87413969      -2.75478811      -0.23237397 
O       9.59504997       3.70559002       5.79029000      -2.40519713      -1.95243499       0.84266127 
O       3.77092996       3.50859004       3.50756003       2.23185862       3.68627687      -0.76488578 
O       4.33823004       8.85668002       4.61908003      -1.46135901      -0.34487786      -2.22505551 
96
Lattice="10.47089319 0.0 0.0 0.0 10.47089319 0.0 0.0 0.0 10.47089319" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.021227411658908162 -0.004899691212620646 0.008239845132310146 -0.004899691212620646 -0.018900867243262672 -0.002778025732130319 0.008239845132310146 -0.002778025732130319 -0.005372200104693976" pbc="T T T" energy=-932.8256395 free_energy=-932.8256395 config_type=crystal 
Hf      10.30730004       0.08020683      10.46990003       1.28451511      -0.39815294      -3.25323591 
Hf       5.11351995       0.04991705      10.11839999       3.10446149       3.49095723      -1.77305218 
Hf       0.21703701       7.54221997       7.60845999      -1.46592576       1.01583338       2.87113449 
Hf       7.63739997       2.47169999       5.07863000       1.62322168       0.06269733      -0.95114852 
Hf       9.97242004       5.13813001      10.27560004       1.19658674      -2.76428778      -1.74940723 
Hf      10.19709996       7.80444998       2.17028004      -2.80907356      -0.87216475       1.67820399 
Hf       2.26395998       5.46708003       2.23048003      -2.12430995      -4.24186415      -1.97801613 
Hf       7.34417998       5.31693999       2.30790999       1.96822115       1.23481597      -6.06521160 
Hf       7.46523000       8.15233996       0.02168721      -0.76857788      -3.62277563      -4.34896624 
Hf       5.15551996       7.64501000       7.49134996       1.16712589       1.72849611       1.57666532 
Hf       4.83662996       8.15720997       2.81859995       4.63471674      -0.92391776      -5.00329034 
Hf       4.88439995       5.10684005      10.41809999       0.24293595       1.20787887      -0.17103722 
Hf       2.10084001       7.71628003       4.91340003       0.33940194       2.59494234       1.17849237 
Hf      10.06289997       5.19134005       4.79919002       2.29834448      -2.56353824      -1.96943555 
Hf       5.15489998       5.51998003       5.00184997       3.51108961      -5.65288561      -1.87603430 
Hf       2.68914997       5.38713005       7.49641996      -3.92578940      -3.86119530      -0.56142264 
Hf       2.26505000       8.24946001       0.09645295       2.13970618      -1.67292828      -3.34666005 
Hf       2.65054002      10.38679998       7.50450004       0.87473709       1.57222683       1.23236699 
Hf       4.71169000       2.69546005       2.65271995       2.92052148      -1.58296157       0.88106147 
Hf       0.28562597       2.81920998       7.67464001      -0.13429063      -1.26171984       2.32525588 
Hf      10.25840002       0.32059802       5.25256001       0.76179246      -3.23205064      -3.02175408 
Hf       7.87719996       5.13896004       7.19241999      -2.16993418       1.39128478       6.11269932 
Hf       8.09143999      10.38910002       7.79006004      -1.19451098       0.37928424      -0.60715234 
Hf       7.74017995       2.55001997      10.16950005      -2.65519572       0.34462360      -0.38861442 
Hf       7.78543002       7.88107995       5.02984998       0.43414628       3.62896655      -0.39435687 
Hf       2.61635999       2.57783003       5.37468005       1.69684084       1.00303232      -2.97210970 
Hf       5.29233998       2.92854003       7.68323997      -0.13859777      -4.17157077       0.33112844 
Hf       5.42152997       0.07510677       5.18689003       0.70889473       0.67644722       1.45216109 
Hf       2.54281003       2.64511002      10.40040000       0.61480362      -2.36884597      -3.28308305 
Hf       2.18572000       0.15075605       2.82684002       0.32761586       0.82965476       1.29644375 
Hf      10.40030000       2.60969998       2.26330000      -0.88156010       2.37459279       2.70569417 
Hf       7.82463001       0.10155300       2.39475997      -2.59887793      -1.05894485      -0.54033846 
O       6.31330997       9.46486003       3.50352997      -3.06233884       1.04910498       3.20980218 
O       6.42411998       6.95210995       3.70633002      -2.45291063       0.05136799       0.17573836 
O       9.25458000       3.58174001       8.88827999       0.57489393      -0.19040539       0.68710155 
O       1.13354005       8.93401004       6.61290998      -0.19129339       0.17131715      -2.08329844 
O       3.68740001       1.51896002       6.56545997       3.85977742      -1.49889313      -0.09506019 
O       7.17963000       6.93515004       8.69857997      -1.60940216       0.01660108      -0.46370835 
O       6.51398998       6.59361997       6.33456997       0.94326782      -2.40934498      -1.53797437 
O       8.78834002       6.43839003       0.52522796      -0.06524248       1.74495588       1.50431903 
O       6.27456997       4.52320000       3.48556998      -1.42296742      -3.19245067       0.78792990 
O       4.70361998       9.24557000       8.54196001      -0.84662419      -1.89057704      -1.05988971 
O       6.88756004       3.62901001       8.50554999       1.83542660       2.94206048      -2.73524738 
O       4.24861999       3.55738000       9.29083002      -1.39927428       0.73728862       1.20071622 
O       8.40788996       0.78902002       4.16004995       0.12819967       1.81721164      -1.88148575 
O       6.10548002       6.65285999       0.85139702       1.01618395      -0.50366812       2.07095340 
O       1.45162997       1.09449995       6.19457999      -0.33895887      -0.90799702       2.09009381 
O       9.54719005       8.99761004       9.06179002       0.98544574      -1.28364265      -1.35051747 
O       8.82531002       5.95539003       3.39561004       0.69690121       2.31839026       0.18372805 
O       8.61174998       9.78212998       5.90532000       2.33832861      -2.23928003       1.52157337 
O       3.88096997       6.49380995       5.94549001      -2.57682472       3.70054219       1.42117690 
O       1.79434000       9.71823000       9.12678002      -1.78436060      -2.58120587       2.85939283 
O       1.40391998       8.82149998       1.84543001      -1.54167175      -0.84846053      -2.11408003 
O       3.91465001       3.94718004       6.62959995      -2.34752684       1.82466807       0.59104804 
O       6.77486003       1.26442998       6.50064001      -0.92920641      -1.36869890      -0.07702258 
O       1.23755005       1.63361001       9.24990998      -2.30590085       0.27885844      -1.08934011 
O       6.54443997       4.14138003       0.16752204       0.80037244       0.16186781       3.26986781 
O       1.51249005       0.87469905       1.17567995      -2.10484574       1.29818165      -1.17447459 
O       3.69125005       9.56233002       0.38319197      -3.00880815      -3.17344743       4.02969411 
O       3.71854003       1.09745997       9.01726003      -0.83894376      -0.13597271      -0.03386939 
O       7.00987002       9.67298998       9.17606003      -0.43839591      -1.44446623       1.37771352 
O       3.99400001       6.02458996       8.54870997       5.42462923       3.13110707       1.46697725 
O       1.55114000       4.01993997       8.77637001       0.96841818       1.41742642      -0.96100892 
O       6.47759002       1.55997000       1.26613004       1.84117126      -0.65252528       0.99236368 
O       8.81761004       9.13764996       1.04103002       3.70983459       1.21611494       0.45237525 
O       0.95876001       9.71431995       4.01188000       0.40195522      -3.27799917       0.77674806 
O       0.99444502       3.64661002       0.96319097       1.25853100       0.40651276      -2.16124140 
O       0.86885001       1.61688999       3.76348005       0.14649600      -0.84302558      -0.37688699 
O       3.96279005       4.28157000       1.84831997      -1.80954957       2.34737944      -3.18890319 
O       0.69499004       6.77812004       3.77432004       0.28018158       0.95277844      -1.70281359 
O       9.20303001       3.51967996       3.81927002      -0.52526207      -1.86201078      -1.36382917 
O       1.58858999       6.96642000       8.98465000      -0.05942212       0.42163109      -1.69841803 
O       8.80886004       3.71021996       1.20790999       0.69904773       1.49623351      -0.78877981 
O       1.36418001       6.19082000       6.11936003      -0.16277667       1.27342834       0.10484820 
O       6.28484998       9.19493004       1.12350003      -2.07932204       1.21021601       1.58055674 
O       4.11710997       4.00869005       4.29306998      -2.57960732      -0.88235964      -0.70271175 
O       1.07623002       3.58044004       5.95026997      -1.57357010       2.25193001       1.59423515 
O       5.86616001       1.75440999       4.13897005       1.30293607      -0.83428819       0.34670218 
O       9.55495003       1.68036004       6.23922003      -3.01809630       4.65289527       4.25017451 
O       6.35304000       3.79043004       5.92765001      -2.07566784       2.32720698       1.66532575 
O       3.46959004       9.18191001       6.16500003       2.79698402      -0.92222916      -1.39239053 
O       6.21034005       1.45818004       9.04797995       1.53157015       1.06384430       0.05715056 
O       1.00472000       4.06205003       3.30540999       1.94497914       3.79329193       0.70710869 
O       4.04399005       1.79491004       1.02494998      -1.27304314      -0.29374324       0.52166148 
O       9.17001005       0.94432902       9.15838997      -0.88373807       2.10189809      -0.05800513 
O       8.76555997       9.01756997       3.36568004       1.73990539      -3.88537891       0.73925493 
O       9.38619996       7.10374995       5.87059003      -0.84406592      -1.45613019      -0.04172662 
O       0.92230098       6.22924001       0.79031297       0.02710350       1.90133417       2.61437910 
O       9.90813001       5.74252996       8.00337004      -2.04927106      -0.91599879       0.79641002 
O       9.18730001       1.16761003       1.39106999       1.21950397      -0.13939411      -1.19309241 
O       6.58293998       9.02937998       6.35216997      -3.37660817      -0.17206697      -0.54366663 
O       3.63412997       6.51607997       0.49522697      -3.39840087       2.31366364       1.66800664 
O       3.34375995       8.97631004       3.59248000       0.57836636       2.49260089       0.82680692 
O       8.59838001       4.12770997       5.82264004       3.02324917       1.46109235       0.97048637 
O       3.49252998       1.46272001       3.72916997      -0.71284542      -0.89034265       0.14598941 
O       3.22092999       6.76518001       3.11484005       2.63004830       1.06507125       3.22405212 
96
Lattice="10.47232556 0.0 0.0 0.0 10.47232556 0.0 0.0 0.0 10.47232556" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.014951769635758751 0.001723781213722227 -0.010313834115085846 0.001723781213722227 -0.003112284198423875 -0.0020002607942186746 -0.010313834115085846 -0.0020002607942186746 -0.001680178798674429" pbc="T T T" energy=-930.36561694 free_energy=-930.36561694 config_type=crystal 
Hf      10.28650001      10.43277326      10.42370004      -3.10070825      -0.66980578      -0.61998672 
Hf       4.89501997      10.26590000       0.11592100       3.35789647       1.49439158      -1.46466002 
Hf      10.26320003       7.62121995       7.36315996       1.31120555      -1.45033089       2.57253917 
Hf       7.86205998       2.61971005       5.20423004       0.33169580       2.93358077      -0.61545431 
Hf       0.04147439       5.17369997       0.02977439       2.75263656      -1.11901275      -3.22107835 
Hf      10.36619996       8.05585005       2.26520999      -0.84421545      -2.73069877       0.20621677 
Hf       2.52600996       5.11481000       2.87154005      -4.17583430       0.15562208      -0.36637526 
Hf       8.12372999       5.23845999       2.20934003      -1.83512829       1.41852592      -1.14827118 
Hf       7.66077005       7.96771999      10.09359998      -2.68912681      -0.61520155       0.73802433 
Hf       4.79157999       8.06596998       7.73354004       4.26967305      -2.04093267       2.11974461 
Hf       5.09871005       7.58229002       2.46677000       2.27942730      -1.25919828      -1.88558126 
Hf       4.74382001       5.22014002       0.05856177       2.09620716      -0.89621561      -2.25073302 
Hf       2.19250996       7.98603996       4.86275997       1.67938947      -1.05116461       1.95551866 
Hf      10.09439996       5.40204002       4.97688999      -0.73278392      -0.18645296      -2.58113639 
Hf       5.28584999       4.97523997       5.32537998      -0.85899500       3.84635581      -0.36322181 
Hf       2.67110005       4.65627000       7.91902996      -1.67646601       0.86701214       4.01847991 
Hf       2.40233996       7.56134003       9.97846996      -4.55459236      -1.51551074       1.89436866 
Hf       2.36774998      10.43060004       7.96516003       1.73777044      -0.21245207      -0.86778651 
Hf       5.27821000       2.67235998       2.82993004      -1.82095718       1.23286710      -3.29428694 
Hf      10.19819998       2.75306003       7.53719996       2.67570422      -2.55788347       5.64924687 
Hf      10.24809998       0.09450038       5.28699995      -0.97179872      -1.24400645      -6.06560663 
Hf       7.55932997       5.29274999       7.71206999      -0.05240714       4.19182608       2.72189254 
Hf       7.82771997       0.10917096       7.84098003      -2.30257760      -1.08121090       3.41999240 
Hf       7.87530999       2.80484003      10.30610001      -1.42733339      -1.01467035      -0.90574869 
Hf       7.38889005       8.07305996       4.52088001       3.20731066      -1.69513435       4.48269929 
Hf       2.23458996       2.37466999       5.40680995       0.05505258       2.02004474      -2.92709582 
Hf       5.26934005       2.51844999       7.99134995      -2.00338164      -2.92332599       2.80214744 
Hf       5.09776995      10.35790001       5.38285001      -1.09034227      -1.16284476       1.88242996 
Hf       2.21026002       2.19280004       0.15457446       1.56560925       2.65861000      -3.67938316 
Hf       2.31151003      10.26430004       2.58670002       1.09083693       2.29233378      -0.39288366 
Hf       0.03737447       2.44627996       2.42262999      -1.88169580       3.45395422       1.12415121 
Hf       7.62521996       0.08810148       2.46460003       1.52838955       0.05324015      -3.21841599 
O       8.89755002       1.27462005       6.28175003      -2.17704189       0.32455723      -0.56057941 
O       6.23879998       9.42302996       3.59643003      -2.18481634       0.54105805       0.53953262 
O       8.64390003       4.41620995       9.18795002       3.32519123      -0.37701302       0.20081194 
O       1.70394005       9.11383999       6.51374000      -0.42720012      -0.56928614      -2.61387514 
O       2.65583999       2.25328002       7.28479000       1.26332835      -0.48934128      -1.34822863 
O       6.05269995       6.48981000       9.19540998       1.39966238      -0.60996658       1.53234704 
O       6.15539995       6.57915004       6.78998005      -2.02849001      -0.36327253      -0.31514050 
O       9.28618001       6.41910002       0.93878597      -0.96907954       1.00817551       1.32705430 
O       3.44849000       6.46392001       8.81892998       2.16675028      -1.34244172      -3.94798336 
O       4.12020004       8.95098999       1.58577001      -2.48357966       3.59685603       0.80615969 
O       6.81108001       3.43826000       8.69940001      -2.75736228      -0.03620301      -1.36006118 
O       3.77274000       1.37010001       9.04070996       0.87013747      -1.47492348       2.57200587 
O       9.04186003       1.48840001       0.76024696      -0.59453311      -2.31615300       1.72907807 
O       6.94591005       6.90594001       1.51290001      -1.54471355      -0.31218228       1.09257814 
O       4.41377996       4.14819005       7.25798996       1.53816317       1.26804604      -2.64436253 
O       8.77649999       9.51367998       9.38657998       0.69473260      -0.35164227      -1.99980046 
O       9.05787002       7.03108001       3.52334995      -1.42076710      -3.83044713       0.65371284 
O       9.58317004       9.27411998       6.48564003      -1.83509459      -1.95659143       1.57417192 
O       3.23871999      10.28999996       4.46624997       0.34280202      -3.84116123      -1.12791769 
O       4.36095001      10.00130004       7.22594003      -0.95304562       2.70506380      -0.09303082 
O       1.12200004       8.61673001       8.71073002      -0.64399643       0.84790038       0.76713059 
O       6.81869999       4.26147003       6.27236997       0.71023887      -4.65378833      -2.89298337 
O       9.42600001       3.75336002       6.20373005      -3.43408734       1.62840314      -3.06279338 
O       0.69363700       3.04532997       9.56186000      -0.47615845       1.92341357      -1.78115074 
O       4.10852004       4.40101995       2.20350998       2.44888137      -2.53402928      -1.75839817 
O       1.73769005       3.92254002       1.17160996      -1.53792795      -0.93218175       1.45783418 
O       3.78940996       1.87900005       4.20408996       3.16988296       2.26898436      -0.16486360 
O       3.74725005       8.89079998       9.42104995      -0.08057593       2.70107733      -0.48124051 
O       6.29825002       9.25576000       9.10985998      -0.62426164      -4.94153005      -2.88932309 
O       3.63139995       6.75313003       3.37518005      -1.07478136       1.65858545       2.05511418 
O       9.01638997       6.72975004       8.69033003      -1.33368557       2.27970134      -0.72739450 
O       6.14953001       1.53287000       1.02859998      -0.36305326       0.33459286       3.26696279 
O       9.03723001       9.32413005       1.37659997       1.29310450      -0.16795428      -1.68218640 
O       0.80323596       1.11723000       1.24067997       3.70412605      -0.78656190       1.74294731 
O       1.27910995       0.74249605       9.34077005       0.34308069      -0.46082071       0.24423840 
O       1.01250999       1.02553997       3.85710003       4.19834651       2.09743533      -0.40006525 
O       3.48554998       3.89161996       9.71042000      -0.08989736      -0.44698486      -0.78993344 
O       1.04875000       6.60296997       3.59888003       0.23090313       0.32223871       0.65902030 
O       8.93577003       4.02540004       3.63971005      -1.92548290       0.25797458       0.57044606 
O       1.04037004       6.00836002       8.91754002       0.52473211      -0.54494431      -0.65527268 
O       6.22150002       4.30925997       0.91214500       4.18086011      -1.69456343       0.95443845 
O       1.03754000       9.16394001       3.72061997      -1.20422279      -1.38726121      -0.20899782 
O       6.53899998       9.29424999       0.86092800       0.39997028       1.22735818       2.70460613 
O       9.27137005       3.83131005       0.93195801      -0.84020821       0.67319630       3.91493091 
O       0.84520202       6.36683003       6.10710002       1.71931623       3.50649742       0.94915113 
O       6.97997998       1.87937004       3.61766005      -1.30351642      -2.02250084       0.12496000 
O       9.38669004       1.32218001       3.42960001      -4.35357683      -1.52947650       2.12969642 
O       6.15804998       4.34680001       3.63671005       0.14589359      -2.21417780       0.81522012 
O       5.97510997       1.52145999       6.47586003       1.53524223      -0.21401185      -2.52016258 
O       6.50396995       0.80820005       9.26690004       0.66862936       4.36851109      -2.07907687 
O       0.81927003       3.88895999       3.71581998       1.51205625      -0.59122045       0.81060269 
O       3.52379000       1.22180004       1.41602000      -0.30206447      -1.40345223       0.89389566 
O       0.79910201       1.14303999       6.39750002       1.97031639       2.59841603       2.99437308 
O       8.73576998       9.23154998       3.56389000      -0.00875342       2.34761148       2.39017633 
O       8.58520003       6.31023004       6.02471999       1.47373345       0.54233198       0.35555979 
O       1.29714005       6.49844004       0.89018799      -0.21222911       0.37457885       1.83404519 
O       1.23399999       8.99488003       1.03635003       0.75338581       2.22310836       0.24404504 
O       9.11275998       1.51500003       8.80340999      -0.51905441       0.21572416      -0.92740213 
O       6.80252003       9.31274003       6.45951995      -0.25138296       0.27072725      -2.70363743 
O       4.15785999       8.22167001       5.90707001      -1.35827218      -2.01086448      -3.36437211 
O       3.84677997       6.64970000       0.78829404       0.30775456       2.13374626       2.45943418 
O       1.10567997       4.12945003       6.96729998      -0.04425801      -1.35819044      -1.88688299 
O       3.14487005       4.47106996       4.66309000       1.47638014      -0.65948339       2.68840252 
O       6.16774002       6.61266002       4.28599999      -0.93089215       0.98644066      -1.78731317 
96
Lattice="10.47390412 0.0 0.0 0.0 10.47390412 0.0 0.0 0.0 10.47390412" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.062485490638361466 -0.00434185132880451 -0.008916889308287677 -0.00434185132880451 -0.047827338075709866 -0.0020575571801528065 -0.008916889308287677 -0.0020575571801528065 -0.04308761657346486" pbc="T T T" energy=-920.21176641 free_energy=-920.21176641 config_type=crystal 
Hf       0.24287098       0.04314411      10.46599999      -2.53896772       2.16473499      -2.66078344 
Hf       5.31635996      10.31550004       0.54068105      -2.54467054      -1.73159905      -3.20081640 
Hf       9.74478999       8.11103000       7.64002995       0.84796511      -1.35320582      -1.07236735 
Hf       7.38182004       2.39657998       5.10572001      -0.43099510      -0.21071902      -0.05991720 
Hf       9.88995003       4.81561004       0.07141956       0.86993064       5.97107800       2.54990148 
Hf       0.10403499       7.81821001       2.50644998      -1.70934434       0.45148908       0.67277758 
Hf       2.66362002       5.30345004       2.83830003      -2.36963919       0.21247886       0.46942108 
Hf       8.35010000       5.24621005       2.92413000      -1.36193785      -0.28207118       1.07425490 
Hf       8.04676998       7.73478998       0.10384604       5.53020067       3.43985365      -5.13015445 
Hf       4.60541000       7.91529001       8.17375004      -4.44632652       0.31237085      -4.43968355 
Hf       5.69720002       7.61767005       2.21550996       1.84655002       2.34063565       6.32925733 
Hf       4.79069001       5.30305004      10.41759997       3.30362544      -3.02390989      -0.68169800 
Hf       2.01482000       7.73832000       5.12069005       3.29253448      -0.28341260       0.82241150 
Hf      10.27450005       5.14486005       5.52523999      -0.90553434       1.57277832       0.40513300 
Hf       4.78633999       5.12821995       5.46210005       2.15606703       2.82898934      -1.36477905 
Hf       2.23666997       5.14604999       8.02754000      -0.92748967      -1.70897018      -0.19354545 
Hf       2.09868005       7.86243995      10.41439999      -0.29940697      -1.96984568      -1.50001751 
Hf       2.29350001       0.35730896       7.47306000       4.66919806      -5.13669867       7.27386772 
Hf       4.99724001       2.78558005       2.72359999      -1.00239077      -3.00688714       2.56046729 
Hf      10.13460001       2.27381996       7.55400002      -0.48813246       0.13856862       3.81613778 
Hf      10.36929998       0.05815761       5.24028999      -1.02977757      -0.03811160      -1.18793185 
Hf       7.76103999       5.14346000       7.76070996       3.07232242      -1.84960029      -0.37842178 
Hf       7.00903996      10.30229999       7.97457996       1.13323944      -0.52786714       0.83594675 
Hf       7.64672005       2.26855997       0.19702398      -2.01053173       1.63021708      -2.61826916 
Hf       7.52895000       8.00673997       4.90436999      -1.53102389      -2.05943092      -1.10170529 
Hf       2.42192997       2.70649998       5.24073000       1.28079215       1.50534100      -2.55177621 
Hf       5.28976997       2.42737996       7.79257000       0.04564023       1.12051709       0.36175006 
Hf       4.75129001      10.36410000       5.07997002      -1.95747668      -3.62391680       1.36981828 
Hf       2.63285000       2.58257002      10.16310002      -3.51998540       2.81240620       4.16779075 
Hf       2.69610002       0.27449296       2.31571998       0.16179872      -0.98758879       4.39311367 
Hf      10.37819997       2.49413005       2.49921995       1.24611386       1.59415993       0.80281902 
Hf       7.96367997      10.38149999       2.36967996       1.38184866      -3.25918436      -2.29016660 
O       9.08780001       1.37924999       5.99995000       0.90775692       1.46556504       0.56305733 
O       3.32240995       9.06596003       9.68706003       1.96861643       0.77576407      -0.35245995 
O       9.66262002       3.66814001       9.28515004      -3.43048305      -6.67751599      -3.89284706 
O       0.28018500      10.43869997       7.31072003      -1.05159630      -4.07055055      -1.74283841 
O       5.99553001       9.02955997       3.70830000       1.19453661       1.54442818       2.07508812 
O       9.01382000       6.28172997       9.18629995      -2.69517818       1.16043429       0.47112951 
O       5.83002002       6.81577004       5.22836000       2.79499132      -0.79994798       2.80174262 
O       9.23103997       6.56122997       4.27584996       0.23521109      -1.13639132      -0.52549347 
O       0.79191304       5.44279004       9.38714000       2.67021501       3.47538420       0.65189086 
O       4.02766997       9.32714003       2.02218997       1.33004500      -0.87680712      -1.07906588 
O       6.87901995       3.30025000       9.06569002       0.50834732      -1.36689399       0.30109062 
O       4.04091003       1.01617001       6.78128000       1.42686039       0.94456397      -2.58441842 
O       9.35358999       1.19383005       1.05748998      -0.84737773       0.66143029       0.92555889 
O       6.83862001       6.70399002       0.78753002      -4.78067494      -5.61175859       2.13018428 
O       3.86793005       3.91994995       6.74047000       0.28429325      -2.52728162       0.68201481 
O       8.25506996       8.91112001       8.65110000       1.07488681      -0.95243487       0.16048559 
O       0.96652904       6.00474003       4.10284003       4.16306490       1.67693403      -1.99710250 
O       9.11861999       9.04371995       5.62353999       0.80421016       0.30502130       3.05044383 
O       3.59512999       1.46221996       3.89469003      -2.91930708      -0.35548456      -1.33182323 
O       2.73308997       9.75009000       4.56565001       1.70708882      -0.75411043       0.66595056 
O       3.64714999       1.82920001       8.99105004       6.38436578      -2.03594308      -5.26827239 
O       6.51986004       3.68373995       6.51673997      -0.41592741       1.52515588      -0.57610543 
O       9.18769005       3.85279997       6.79167000       0.01823117       0.72600825      -0.34180797 
O       1.44281999       3.42444002       8.76383000       0.06282183      -2.96588417      -1.31707522 
O       3.98079003       3.72697005       1.22596995      -5.09365706       3.47928142       0.21817590 
O       0.74712704       4.27988996       1.44761002      -0.03868246      -1.65394739       1.05153304 
O       3.81486003       3.97013996       3.92385996      -1.27261648       1.80269910       1.27528544 
O       3.07014000       9.14527001       7.01795001       1.42641112      -4.02117539      -0.61309049 
O       5.86307000       8.85363996       9.19988000       1.60756914       1.23845995       1.67460918 
O       4.55210997       6.84859002       1.07176004      -6.31215115      -2.42613566      -3.03303515 
O       0.85168300       6.83203999       6.67784003       0.55971044       0.94329586      -0.94570532 
O       6.00005998       0.98932895       9.33421002       0.79759314      -0.86042754      -0.08332138 
O       9.08313001       9.19558999       0.90427300       1.82235913       1.24344851      -0.87207606 
O       1.48112002       1.25254005       1.16906000      -2.11967812       3.07825723      -1.86028105 
O       1.72490998       0.85223895       9.29437996      -3.57712316      -1.64770313       1.22646241 
O       1.01392995       1.18715995       3.45997997      -2.11710477      -2.89842662       2.65302336 
O       3.57253003       4.29328001       9.39307996       0.00280607      -0.52647834      -0.81433325 
O       3.81959005       6.72353998       3.97164003      -2.97074538      -1.59589541      -1.55092196 
O       9.34607004       3.78970999       4.19218002      -1.58522238      -0.02575915      -1.52266894 
O       0.54845101       8.11807003       9.14609996       0.64695717       1.91013980       1.46457579 
O       6.03672995       3.42015001       1.43324998       2.46151336       1.75878875      -6.15849738 
O       0.74582597       8.91812004       3.94461002       0.08503927      -1.14027316       1.97447003 
O       6.70395001       9.13761002       1.31420003      -0.29453938      -1.92998874      -1.17720100 
O       8.03359004       3.57707999       1.55199997       6.29911948       2.37177904       0.84597672 
O       3.37540005       6.52403002       8.88587005       1.16869100       2.85127150       3.85266287 
O       6.48391999       1.09848997       1.49719998       1.80677817       0.07323688       0.68468843 
O       8.44280002       0.89764898       3.84196000       1.01631244       3.07014245       1.62703238 
O       6.30421995       3.80108999       3.82326995       2.69192207       0.59872141       2.11451389 
O       5.61840002       1.35690004       4.47505995       5.56544153       3.68056662      -2.49789399 
O       6.58674000       1.15374998       6.56469998       0.25996811       1.95406533       1.92327545 
O       1.24998002       3.40324000       3.68162998       2.73966286       1.95187109       1.73405880 
O       4.05383996       1.15706999       1.07122996      -2.19968475       2.24732948       1.09193510 
O       1.43722996       1.66491996       6.64698004      -2.87399153       6.83953279      -6.49676362 
O       8.85720999       8.81987000       3.22961001      -1.55461198      -0.15561109       0.42495539 
O       8.76747995       6.54429995       6.57260997      -1.33344861      -0.11157697       1.02976303 
O       9.19563995       6.66196002       1.61808004       0.32421291      -2.30559898      -1.61175974 
O       1.05395996       9.31286001       1.18651004       2.45239012      -2.52415652       1.64548229 
O       9.11233000       1.01236002       8.77129004      -1.23475677       0.39567724       1.33355058 
O       6.20063000       9.24443997       6.48370999      -0.82841751      -1.32306017      -0.18850909 
O       3.89658005       6.59260005       6.51355004      -2.08310969      -0.28582269       0.99853408 
O       6.24320003       5.43093997       8.69729002      -5.15191346       3.76770152       2.43238178 
O       1.56190000       4.25912000       6.31922005      -2.22688702       0.18238538      -2.25696768 
O       1.99811004       7.05379003       1.79121996      -0.93025935      -1.42488970       0.41787983 
O       7.05667004       6.57048000       3.42698005      -1.09505087       0.24599059      -2.95396167 
96
Lattice="10.47434346 0.0 0.0 0.0 10.47434346 0.0 0.0 0.0 10.47434346" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.021470719746755153 -0.006517106475306272 -0.009879762758051101 -0.006517106475306272 -0.01628173707027045 -0.023584904903388288 -0.009879762758051101 -0.023584904903388288 -0.012461961946511509" pbc="T T T" energy=-923.51332425 free_energy=-923.51332425 config_type=crystal 
Hf      10.34930001      10.36215842       0.02698201      -0.30690774      -1.47117846       3.40080941 
Hf       5.13304000      10.25139999       9.94709999      -2.77032654       2.99500233       2.80899364 
Hf      10.14329995       7.69228996       7.89984997      -2.41919074       0.39573177      -3.78482756 
Hf       7.68738996       2.45866003       5.07998996      -0.48721937       1.42340304       0.47470175 
Hf       0.04083601       4.96444999      10.35159997      -2.40956431      -2.57483280       2.38811282 
Hf      10.41929995       7.89346994       2.72552001       1.81325177       1.22380858      -0.03678854 
Hf       2.41925995       5.03000996       2.54108002       1.00442903       1.36823986       1.41031722 
Hf       7.42629003       5.63594999       2.33409997       2.76264094      -2.91621280       1.39752924 
Hf       7.43603002       7.82881999      10.42249996       4.50978320       1.57468107       0.85337425 
Hf       5.12139001       7.88300000       8.12707001      -2.57312352      -2.13276378      -0.83156288 
Hf       5.10374001       8.38461997       2.29450004      -6.52998382       0.17872263       1.38617551 
Hf       5.16225996       5.06014998      10.36942846      -4.68353689       1.77818089       2.25220208 
Hf       2.48092000       7.81452995       5.35445002      -0.07193237      -0.05661472      -3.30065553 
Hf      10.07839997       5.00057003       4.70932997      -0.43777640       2.32567995       2.86440165 
Hf       5.30398998       4.74212996       5.30704995      -1.79209587       1.66711991       1.11238564 
Hf       2.44110000       5.33385002       7.64100999       1.69462164      -0.16174172      -1.48088682 
Hf       2.38660000       7.80385000       0.40129200       3.19420295       2.18975613      -0.39349174 
Hf       2.10027995       9.97705002       7.77484004       2.05326779       2.32102972       5.01529253 
Hf       4.97023005       2.24503003       2.57029998      -0.05922338       4.10603618      -0.01596653 
Hf       0.02099048       2.63389003       7.35281000       2.17429522       0.41166312       3.56440848 
Hf      10.25899997       0.15349501       5.14757996      -0.16028875      -3.81465561       0.38718988 
Hf       7.87502002       5.06135998       7.99357995       0.03663137      -0.37535450      -1.00631312 
Hf       7.79774995       0.26320004       8.03544003      -0.36767838      -0.70423191      -1.96584175 
Hf       7.45570995       2.41284001       0.43290200       4.21117107       1.90268198      -1.67959778 
Hf       7.86121001       7.90249003       5.09101002      -0.43888562      -2.22880292       1.08778128 
Hf       2.65449998       2.49076001       5.54086998       4.68367214       1.96081235       1.51323229 
Hf       5.23760003       2.73229000       8.20333999      -3.63831937      -3.61813535      -1.56223984 
Hf       5.17737004      10.24879995       5.73370997      -2.32751712      -0.39834398       0.48103630 
Hf       2.17165003       2.28564995      10.03009995       2.21328276       2.30229294      -1.04983535 
Hf       2.61985001       0.21409705       2.89593999      -0.05128169      -3.23264414      -0.61174855 
Hf      10.03009995       2.59047000       2.46443003       1.87986805       0.24544231      -1.50372039 
Hf       7.60965001      10.28680003       2.60935001       5.14065458      -8.90253177      -2.92315482 
O       6.94430002       0.75084305       5.92794997       0.17706961      -1.48808423       0.16257350 
O       3.60621003       9.14682999       9.22381002       0.38086420       0.24326543      -1.00687081 
O       8.94972997       3.83906998       8.96869995       2.03222783       0.65618553       0.89035472 
O       0.98348199       1.65709005       5.81858997      -1.52294275      -2.07619703      -1.65299881 
O       6.69026001       8.71159996       3.49289000       0.82864457       0.39774150       1.94624144 
O      10.18039997       5.91776995       8.74235002      -0.03474605       1.66063603      -0.85759135 
O       8.71142997       6.53775996       6.65848001      -0.19600703      -1.25499496      -0.62267444 
O       8.92291000       6.46517999       3.33857998       0.83509161       0.07744111       0.60026787 
O       1.39981996       6.25330999       0.99406296      -2.09668530      -2.06015947      -0.96261958 
O       3.50723995       9.44005997       1.31794998       0.23322912       0.43697300       0.88288697 
O       6.10069001       4.10252004       9.04262001       5.48460060       2.43098310       0.77109040 
O       4.52403004       1.76786995       6.28059995       0.84635615       1.88196063       1.85642774 
O       8.90375001       1.21304000       1.17555002      -1.76882750      -2.32526440      -0.27026372 
O       6.38973004       6.97956002       1.41487997      -0.32143453      -0.99335011       1.84708134 
O       0.62696299       3.77417001       3.85451000       2.02594027      -1.74452843      -1.24061208 
O       9.04160002       9.03352996       9.61600998      -1.10351926       0.60874556      -2.05826216 
O       1.07832999       6.48089004       3.96932996      -1.70867809      -1.40429479       0.35243858 
O       8.98472004       9.06265994       6.29911000      -0.51365937       0.76915375       1.43361280 
O       3.62507003       0.48093995       4.89965005      -4.84413650       1.04654975      -4.81806453 
O       4.23749997       8.55486000       4.33429998       1.42692371       0.98355050      -0.59111586 
O       3.79006000       3.79065998       9.58308000       0.35362115       0.13596403       0.98048801 
O       6.73243003       4.02049996       6.61380998      -0.49857691      -0.55455777      -0.45270902 
O       9.06241003       3.35998996       6.39896003      -0.26757461       3.08806939      -2.31541968 
O       1.36491002       3.81927002       8.92490002      -1.91980866       1.97559782       0.26700894 
O       4.23217995       4.55899999       1.86290001      -1.62811703       1.17099201      -1.37609990 
O       1.13391000       3.80092001       1.51224004       0.07290833       1.30703721      -1.24390830 
O       3.64873995       3.94904996       4.15577003      -1.98878895      -1.33619529       1.24666972 
O       3.56255004       8.91750000       6.73561999       2.01029192       0.40344669       0.67917354 
O       6.69253001       8.87861997       8.85676997      -1.05659104       2.19944574       0.97208008 
O       3.04227997       7.21012001       2.62608005       1.05988321      -1.43025685      -1.39801217 
O       0.99460898       9.45727005       6.43759004      -1.28706526      -1.36916452      -2.32788973 
O       5.59296004       0.58977404       8.21888004       0.83004376      -1.92201236      -2.85724880 
O       8.99281996       8.87935003       1.69511003      -1.34278283       0.00206659      -2.96408569 
O       0.61806398       0.93613701       2.64407005       2.06842106      -1.54685849       2.67355885 
O       0.50091400       0.41473603       8.73946999      -0.78810359      -0.05533740       1.07621532 
O       9.26268995       1.53560003       4.20132997      -0.81920362      -0.20642265      -0.18787777 
O       4.25323998       4.29846997       7.20420001      -1.20960946      -0.86696196      -1.94134698 
O       3.41414996       6.12733999       5.82513999       0.55446743      -0.23015692       0.10627487 
O       8.54769995       3.95655996       3.97059998      -0.43193013       0.72039725      -2.32303299 
O       0.98614603       8.31588995       9.01582004       4.52331813       1.79360744       2.97392449 
O       6.22278001       3.73647002       1.35021001       2.20403243       0.94151815       0.32678613 
O       1.50722995       9.13594997       3.91787999      -1.11617361       0.66630505       0.19671240 
O       6.55644996       9.78096999       0.97523899      -0.49924781      -2.31382689      -1.81057216 
O       8.94650000       3.73995996       1.02070005       0.79040834       1.53809065       1.38812195 
O       4.32523999       7.22325002       0.27039203       2.21382846      -0.04502283       1.56326935 
O       5.91646998       1.78661002      10.15200004      -2.61272636      -1.87331107       1.21069814 
O       7.06794996       1.37490003       3.03743999      -1.71299881      10.38635744       2.20136278 
O       5.94118001       3.19134999       4.25520999       0.33976444      -0.49941282      -0.54544321 
O       5.11914997       0.37247603       2.53612995      -1.95918414      -2.22073388       1.20927113 
O       2.28521003       1.64280996       7.91560998       0.90047627       0.20859050      -1.08434165 
O       0.64571499       1.73648997       0.49953097      -1.92238631      -1.32387508      -0.46872797 
O       3.03018001       1.92100004       2.01642005       0.81279776       0.70511408       1.06962116 
O       9.28781004       1.09578999       7.03465003       0.59925752      -2.16029578      -1.96695505 
O       9.28463998       9.00102996       3.86904996      -0.51373274       2.04116011       3.43408102 
O       1.11021002       6.86712003       6.76340005       1.41022750      -0.64359576       0.03478006 
O       8.76626996       6.31351003       0.50119398      -0.45848618      -0.42783480       0.95348520 
O       3.71827996       1.25126004      10.10559996       0.80260550      -2.91970267      -0.38349605 
O       7.68227000       2.04617001       8.65361002      -0.38030278      -1.93146827       1.08114493 
O       6.28006000       7.76033004       6.58056996      -0.13440879       1.77630474      -1.63937232 
O       3.84600997       6.47398001       8.69786003      -1.51528239      -1.69877931      -1.59706950 
O       6.69964995       6.40229999       9.17275996      -0.35463409       0.29884904      -0.33749755 
O       1.31803995       4.03493999       6.33413003       0.42621348       0.29994611       0.08555494 
O       0.96605603       8.92074998       1.27984997      -0.13207770       1.53086584      -1.28217751 
O       6.75645001       6.11038999       4.62974004      -1.43000479      -1.24249532      -2.14021373 
96
Lattice="10.47630464 0.0 0.0 0.0 10.47630464 0.0 0.0 0.0 10.47630464" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006955773705170771 -0.004144086465751031 0.002149444396636149 -0.004144086465751031 -0.033784176742619465 0.0015660724650614004 0.002149444396636149 0.0015660724650614004 -0.02648614639552728" pbc="T T T" energy=-928.40787292 free_energy=-928.40787292 config_type=crystal 
Hf      10.19340000      10.37899999       0.00475582       2.68894558       0.58492493      -0.26674808 
Hf       5.04399004       0.30221405       0.11260404      -1.04497471      -6.07480954      -1.33139771 
Hf      10.26080003       7.88974997       8.00731998       2.98953197      -0.87533690      -4.97585143 
Hf       7.62299999       2.66504000       5.23879997       1.07291845       1.31815966       0.06013821 
Hf       9.66143001       5.27835996      10.10210005       3.32552949      -1.47684834       2.42245515 
Hf       0.03968979       7.56897998       2.76678996       0.83595955      -1.03271011      -0.24269895 
Hf       2.56166004       5.15118998       2.82695003      -1.87837325      -2.15202166      -2.84422672 
Hf       7.14878996       4.97595001       2.37115996      -0.05727021       0.29444979      -4.66068217 
Hf       8.03534996       7.90932002      10.33740005      -5.10305360      -0.51065228       3.52815104 
Hf       5.02311999       7.87841995       7.61702997       0.09243439      -1.93598668       1.91808734 
Hf       4.70226996       7.56260001       2.49247002       3.57734937      -1.18668896      -2.08249775 
Hf       4.74109996       5.21570003      10.22040005       3.29126718       3.11713632       3.70617394 
Hf       2.51697996       7.88171003       5.00829004      -1.82521404       2.10746308       3.22821682 
Hf      10.23910005       5.15491997       5.52395000       1.19010424      -1.12194566       0.30970884 
Hf       5.13453004       5.17621002       5.58939002      -4.01736187      -2.59696936      -4.21510318 
Hf       2.21523002       5.05111005       8.10877995       0.64755935       0.35786692      -0.23052474 
Hf       2.36553000       8.00943997      10.36530002       2.20680445      -1.66983673      -0.34367641 
Hf       2.87399996       0.03352302       8.02725000      -2.25002609      -1.75039942      -3.59378068 
Hf       4.80250001       2.39703005       2.99467997       0.72060254       3.04311005       0.15282888 
Hf      10.19480005       2.43963005       7.93644003       2.50492537       0.47953531       0.80339392 
Hf      10.21820003       0.11832902       5.19564995       1.76499348       0.39282709      -0.97687591 
Hf       7.32115995       4.94582005       7.96028997       0.14533672       0.46196275      -0.40183157 
Hf       7.66138999       0.00879538       8.20971999       1.40383009      -1.45029922      -3.77294220 
Hf       7.42167999       1.94959996       0.04358813       5.30649847       5.38564613       2.83883172 
Hf       7.72767001       7.37830002       4.73388001      -0.15947448       4.46564007       5.45949483 
Hf       2.52118997       2.69902996       5.32803000      -0.98901279      -0.40197587       2.09343897 
Hf       5.03361001       2.60400998       7.74879003       0.26172157      -1.15315507       1.41739125 
Hf       5.32595004      10.36740000       5.20551999       0.99330020      -0.56276460       0.46163078 
Hf       2.11474005       2.62945996       0.24009302       1.76000494       0.10213442       2.00588226 
Hf       2.69924001      10.15840002       2.39992004      -1.05300732       0.36521152       1.35401472 
Hf      10.32579995       2.26376998       2.66766002       0.63307245       2.55494069      -0.39204165 
Hf       7.93657004       9.89708998       2.48762997      -3.01773866       0.52610221       1.38872884 
O       6.74631003       9.03094997       4.13298997      -2.76180837       0.79469996       1.27936136 
O       4.28489995       9.07590002       9.16686996      -0.89933532       2.16093342       0.20896244 
O       0.98593802       4.11633003      10.04160002      -2.68303971       3.84266701      -2.53989766 
O       0.75410798       3.79865998       6.77809001       1.32284111      -0.66132105       0.69268719 
O       3.52496002       1.21189002       3.90579004      -0.41786219      -1.58469732       0.87872394 
O       0.76222104       6.95010003       9.88647004      -2.65686953      -0.55560076      -1.64666818 
O       8.33739995       6.60453001       8.87220996       2.93193846      -2.85562080      -1.70492910 
O       8.18275000       6.44129996       3.25843005       1.50543506      -2.37035373      -1.68815314 
O       0.60017199       5.74939001       2.02756001       0.43258284       1.49119090       0.01305386 
O       3.36057999       6.72891999       1.04907997       0.65258410      -2.19860743       0.58022865 
O       9.00873999       9.01521005       9.04115001       4.29262440       0.66621253      -0.57391611 
O       6.72402997       1.56106996       6.66027003      -0.25974388      -2.09709768       0.67381905 
O       9.12699997       3.29775998       1.47506998      -1.97757659       3.74331467      -0.69166188 
O       5.99018997       6.38753997       1.14327001      -0.24320695      -2.60422045       1.79159360 
O       1.85214005       4.52367002       4.45908999      -2.22170546      -0.94220086       2.65847823 
O       9.32044002       1.13937000       1.16874996      -2.73740027      -1.10970318       1.77636176 
O       0.68878099       6.62684999       4.43370004       0.20701810       2.44586830       0.11056095 
O       9.33170005       7.22388003       6.09397003      -1.30131530      -0.37526480       0.50829170 
O       4.05754004       9.09369999       4.07856997      -0.70046927       0.11447111      -0.51474956 
O       6.57150000       8.62907001       1.56315999       2.19673493       0.58955333       1.62310984 
O       3.25945002       4.11468996       9.90963996      -1.09735776      -1.66721987      -2.82706402 
O       6.31196998       3.98024000       3.77166002       1.53541269      -1.68042032       1.12896594 
O       8.59657000       4.43401999       6.44656996      -2.57572388       1.62069250       0.27625379 
O       4.11648005       9.32758004       6.65440005      -1.62296867       0.32839523      -1.45769887 
O       4.07540005       4.10945003       2.00789997       1.12325966      -0.42860323      -1.43255237 
O       1.72187998       3.16042003       2.13393997      -1.04908141      -0.70911549      -0.52709324 
O       3.99056000       3.62617003       4.41910005       2.31937022      -0.32508230      -0.94040825 
O       1.15755005       9.28891001       4.08921997       1.55168792      -0.13839462       0.10806574 
O       9.00282004       1.11118004       9.38690002      -2.00870586      -0.18171464      -2.63640187 
O       2.91557999       7.01423000       3.36177000      -1.21918083       1.14621738      -0.10450141 
O       1.62196003       8.55798001       6.96060001      -1.21284458      -0.28568467      -0.13335448 
O       6.54795000       9.35676000       7.10234002      -1.84808689      -1.94178818      -1.63121825 
O       9.07773002       9.07758995       1.14305001       2.32896605      -1.34806762       0.32087614 
O       0.97881204       1.76467998       4.66446003      -2.49801688      -1.47611371      -2.95998643 
O       0.64252800       1.93135998       9.82614004      -0.71622767      -3.38214854      -2.17451625 
O       9.26928003       0.91101400       3.57102999      -2.09344648      -1.31701448       2.39474832 
O       5.99199001       3.71214005       6.52367001       4.12444698       1.52418892      -1.51439889 
O       3.51793000       3.89920998       6.78375999      -0.90033846       0.17963020       3.60456120 
O       9.30944000       3.66275999       4.34006995       0.16795657      -0.40056231      -1.95461611 
O       1.41687997       9.53578999       9.44738004       0.09599702       1.89709237      -1.56490348 
O       6.42967996       3.68752996       0.63900796       0.89728722      -0.79739674       2.03707680 
O       1.25239005       8.76078000       1.51713004       1.02784275      -2.43017885       0.68725648 
O       7.04362001       9.40035997       9.76396003      -5.08309101       3.35967492      -0.34757792 
O       8.53401997       3.47222000       8.83306996       0.46773899       2.57520900       1.56440334 
O       5.92939996       6.13688998       8.95771997       0.65737697       4.72780635      -2.33262408 
O       6.24080005       1.16563001       9.10044998      -1.68841196       1.96975211       0.90165310 
O       6.55150996       0.75216201       1.35197005       0.03489840       1.23534034      -0.35900932 
O       5.03429003       6.25619005       3.91984997       1.94181952      -0.38307369      -0.65138328 
O       6.39031996       1.16550000       3.94555998      -0.63806431       1.32151513       0.76227715 
O       4.06923998       1.46794997       6.59289000      -1.04939571      -3.52376286      -2.15644918 
O       1.15683002       0.50589405       1.39963996       2.11384113       2.61002436       1.44458164 
O       3.97078000       1.16825998       1.52276996      -1.24253199       0.24073825      -1.00477560 
O       9.20465003       2.12112996       6.41152997      -1.14195870      -2.53187252      -2.24272502 
O       9.29257996      10.12630000       6.81110000       0.06295907      -1.01512708       0.85814404 
O       0.51249297       5.92650001       7.45052000       0.29598240       1.51726808       1.54072609 
O       8.67046996       6.38960003       0.90599900       1.44864401      -2.76191350       0.76117651 
O       3.59649003       1.34715996       9.24946997       0.85840633       0.98681032       1.97736914 
O       5.87353003       4.02471003       8.91473999      -1.16619081      -3.23537750       0.00687477 
O       6.25853999       6.61390997       6.06899996       3.45513807       2.12512942       2.33563993 
O       3.48975995       6.76825998       8.92854995      -1.54272817      -1.97484835      -0.39273120 
O       3.83891004       6.21273005       6.48054001      -3.16213418       4.31821035       0.95106767 
O       1.54507998       1.40049996       6.91354999      -0.09171322      -2.25016419       3.04914973 
O       4.27470996       8.96913003       1.22342003      -4.10431116       5.56448940      -0.99258153 
O       8.99866000       8.92862999       3.96749003       2.54486964      -1.16147310      -0.62524175 
96
Lattice="10.47832406 0.0 0.0 0.0 10.47832406 0.0 0.0 0.0 10.47832406" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0013099338254930054 0.0050303150010863025 -0.0024768820918248664 0.0050303150010863025 0.00621905024742201 0.010343471103532408 -0.0024768820918248664 0.010343471103532408 -0.014315582784217344" pbc="T T T" energy=-927.8534621 free_energy=-927.8534621 config_type=crystal 
Hf      10.28149995       0.17553603      10.23570004      -2.45857466      -3.89741101       3.50615088 
Hf       4.74666005      10.38599997      10.42111713       0.08690274      -0.92075746       3.11723389 
Hf      10.37454506       7.73026004       7.73396004      -1.38788307       2.71943808       1.19986086 
Hf       7.39968997       2.15867003       5.45851998       2.20296289      -1.92812344      -1.61192017 
Hf      10.41729998       4.82524004       0.28777502      -1.19579531      -1.72118722       2.23644455 
Hf      10.42150000       7.63548999       2.47781998      -4.84275573       3.22351441       4.00917079 
Hf       2.27317999       5.52854997       2.85266997       1.64482381      -5.78311113       2.25140835 
Hf       7.67515998       4.92161998       2.62571995       0.30323847       2.34983451       1.10086821 
Hf       7.97087002       7.47984004      10.22690003      -1.87635292       2.02298932      -0.05295381 
Hf       5.08550003       7.67922997       8.09810998       4.00855824       4.97348105      -2.67105090 
Hf       4.80518998       7.64176001       2.61159999       4.21364335       2.07006845      -2.19315787 
Hf       5.11329001       5.52767996      10.39303344       2.26597654      -2.34856887       2.55302496 
Hf       2.63501003       8.18093003       5.24535000       3.34657496      -0.39826672      -0.83282769 
Hf       0.17084604       5.15599997       5.24764004      -2.14037596       2.54982448       0.69226915 
Hf       4.90575004       5.05884998       5.49811002       2.01161906       1.64467609      -1.44244196 
Hf       2.56724996       5.28159002       7.91311004       0.06483324      -2.37345923      -1.07622000 
Hf       1.83923004       7.88213999       0.14251998       1.42925131       4.48700599      -0.95216447 
Hf       2.53533005      10.29127309       7.66235002       0.03598519       1.41574811       2.28938022 
Hf       5.04321999       2.94877999       2.29101001      -0.34979252      -2.51214798       0.43502470 
Hf       0.01597882       2.54276002       7.84816004      -0.36215952       0.44558781      -0.32640303 
Hf      10.31300000      10.28960001       5.42371005      -2.86038025       0.98220502      -0.63072789 
Hf       7.98061004       4.65519005       7.50724997      -1.88794736       2.79113391       2.53898493 
Hf       7.62771004      10.44960004       8.34422004       0.12337352      -4.30116750      -0.32455055 
Hf       7.43305998       2.72359997      10.43290000       5.10148826      -6.22728882       0.53765079 
Hf       7.64460005       7.36507996       5.49645005      -1.69889475       4.22923932      -0.81840087 
Hf       2.38997002       2.53005998       5.20536000       0.79163148       0.19167738      -0.39970886 
Hf       5.17465998       2.15233002       8.26822002      -2.90349785       0.74152022      -1.77137346 
Hf       5.08137000      10.35570001       5.12733002       0.61435434      -0.84674973       0.01914045 
Hf       2.33360995       2.72147004      10.38550004       4.92334198      -0.89210530       1.57534193 
Hf       2.42024997       0.32924801       2.67204001       2.78028836      -1.46409019      -0.92870080 
Hf       9.97028996       2.31847998       2.67707003       1.79594580      -3.11326161      -1.71177612 
Hf       7.53567001       9.96998001       2.60982999       2.26940542      -0.44178526      -0.16134764 
O       6.56541996       9.04924999       4.47692001      -0.99336806       0.85210649       0.67519747 
O       3.95186000       9.40329998       8.80524000      -1.58556667      -1.54355034       1.15685604 
O       1.06966001       3.84545995       9.56212005       0.43570813       0.35619852      -3.73484051 
O       1.33152999       3.73869997       6.86305005      -1.71010746      -0.39350557      -0.76268908 
O       3.39411997       3.73209999       3.79417998       2.10845672      -0.21614495      -1.07653918 
O       1.15332995       6.39508003       9.62046996      -0.43752199      -2.05274713      -2.02438767 
O       8.94656000       3.15605004       6.65940005      -0.26143825       0.96457154      -0.85121841 
O       6.87972997       6.72514000       3.53955000      -0.37428429      -1.62192192       2.16181152 
O      10.46752038       8.78772999       0.84041105       3.74115746      -1.88507399       0.49001597 
O       3.72070995       6.49230001       1.23166999       1.79934104       0.82202764      -0.42616508 
O       8.87940998       6.42540000       8.51216997       0.96598476      -1.19729916      -2.17729401 
O       6.41903002       0.86472904       7.07096001      -1.35896553       2.44473616      -3.00541394 
O       9.21458002       3.49563995       9.35673997      -1.11665593       2.11724351      -4.30729807 
O       6.57883997       6.87144999       1.28117997      -2.75941667      -1.84195219      -1.83631968 
O       1.07956004       4.05054999       4.12556001       1.30753370      -2.21438260       0.85171848 
O       8.81737002       0.61188299       4.29390005      -0.62184073       0.95544946       1.71562031 
O      10.09080001       5.58128004       2.87656998      -1.38009524       0.66422722       1.94236435 
O       8.54206002       5.40763001       5.36320998       0.48732777       0.97527820       1.93117935 
O       3.62640996       1.01806998       4.26945999      -1.47826660       0.48463467       0.32963734 
O       5.52155999       9.54629998       2.03567001       0.07694361      -0.61014185      -0.83195124 
O       3.59342996       3.71794996       8.66410001      -0.34707762       0.71692505       0.96814797 
O       6.18584005       4.12636999       3.67055996      -1.11061189       0.42277922       0.99855752 
O       8.58809004       2.96907996       3.75085996      -2.34493627       3.16252181       1.50655714 
O       4.33066000       9.05474996       6.53392997      -2.00007684       0.44473088      -1.41956820 
O       3.65501002       3.88065004       1.10232996       1.78980708       1.04286970      -0.87862760 
O       1.47574002       6.67117003       1.64135999      -1.99142139       0.52941782      -1.67577118 
O       1.49824002       6.98601999       4.32893999      -3.60063578      -4.78523947      -1.27236193 
O       0.80513598       9.30934001       4.07842002       2.97193662      -0.63034614      -2.84660819 
O       9.38364003       8.77156005       9.03196002      -2.93284870       2.08313433       0.97249632 
O       3.81504001       9.10274005       3.84912003      -1.04734686      -0.10898769       0.88898512 
O       1.36082005       9.03083999       6.43426005       0.07644683      -0.22516168       2.47499793 
O       6.95775995       8.63349995       7.28693000      -0.35688384      -0.34233084       0.56659308 
O       8.23333003       9.15260996       0.97635798      -2.28286509      -2.22588848      -0.88936985 
O       1.24805002       1.41013000       3.75147001      -2.19788952       2.09899684       0.41190098 
O       0.76053698       1.12289000       8.85472996       0.79942646       0.16694217      -1.68282924 
O       8.93088998       0.66112001       6.97710000       0.73835159       1.07291283       0.97645691 
O       6.24013998       3.75505004       6.76788999       0.50739289      -1.05399104      -2.03867629 
O       3.46892997       4.15445001       6.19005003      -0.73570456      -0.75109983       1.15578387 
O       9.14147003       3.01956997       0.97621998       1.24800307       2.56346106       3.22719600 
O       1.25504001       9.15080004       9.07335998       1.04163710      -0.71537804      -0.61638213 
O       6.58184997       3.85868999       1.17696004      -2.11059062       6.06666525       3.79925077 
O       1.29762004       1.26269998       0.51363005      -0.60764784      -1.92724799       4.44219721 
O       6.05034002       9.00031003       9.74261002       1.25462414      -2.53737393      -0.42761213 
O       9.36753998       0.48507599       1.92864997       1.67193403       2.68924115      -0.20755561 
O       6.59358999       5.95106995       9.13603996      -0.18737840       1.48513465       1.71748753 
O       6.15015004       0.94968404       9.54068999      -0.79697244       1.24457118      -3.01895536 
O       6.42963995       1.55726002       1.15212002      -1.79700942      -0.82076432       4.14849100 
O       3.76478995       6.50209997       3.82419996       1.18680490      -1.25712597       1.63748285 
O       6.04733997       1.52862999       4.15073000       0.71437241      -0.24082865       1.11778287 
O       3.77813997       1.20482002       7.02938003       0.54612133       0.86755582      -4.58721249 
O       1.07079995       3.70341998       1.77617002       0.15789968       1.24571764      -2.49459051 
O       3.79244005       1.36706000       1.48850000      -0.58356286      -0.37869684       0.69754309 
O       8.40991997       0.87572604      10.01739998       1.94886800       0.00083987      -2.35745989 
O       9.18330003       8.70315000       6.15351997       1.73621988      -2.97428389       0.72745356 
O       0.72367602       6.09318997       7.02010001       1.36593943      -0.67130041      -1.48039158 
O       9.00335996       6.15167002       0.81217500       0.00623380       0.14840717       0.04003401 
O       3.46754002       1.31203999       9.16076995       0.33527494      -0.29324026       3.91024143 
O       6.25116003       3.51638997       9.28674005      -2.66984705       2.62446475      -3.42241781 
O       6.04666003       6.38189997       6.86427999       3.26877987      -2.10701642      -4.19551827 
O       4.09504001       6.22365003       8.91293999      -2.78112269       0.40484059       1.39137049 
O       3.88672998       6.62638002       6.47727996      -4.16801361       0.10799249       0.22230098 
O       1.12939002       1.17887998       6.48441004      -0.03665233       0.04191373      -1.82582325 
O       2.78868000       9.21015000       1.37845004       0.44383713       0.06661024      -0.41400414 
O       8.92569001       8.58715003       3.50305997      -0.01753040      -1.98056076      -0.62408547 
96
Lattice="10.48053313 0.0 0.0 0.0 10.48053313 0.0 0.0 0.0 10.48053313" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004793128160967358 0.0059203066296546975 0.022274603371868155 0.0059203066296546975 -0.021615846836353987 -0.001106457357438429 0.022274603371868155 -0.001106457357438429 -0.02597675563959896" pbc="T T T" energy=-933.2109447 free_energy=-933.2109447 config_type=crystal 
Hf       0.02716690      10.10729996      10.24807417       1.64598231       0.65782591       0.98648677 
Hf       4.96706998       9.98987995      10.38329998      -3.03836622       1.51301804       3.54462331 
Hf      10.17739995       7.84486005       7.69752995       1.59193859      -3.50521382      -2.98991011 
Hf       7.51399999       2.59174005       5.45172002       1.78974299      -0.93224673       1.24066783 
Hf      10.47801005       5.09020000       0.22566998      -1.09436058      -1.57696182      -0.41833328 
Hf      10.10989998       8.05256996       2.38457995       1.53645001       0.70238578       0.69381890 
Hf       2.44972002       4.77853997       2.56659998      -0.65319304      -1.58219074       1.28856717 
Hf       8.01449995       5.37904004       2.46661999      -3.51068452      -1.44274732      -0.67975511 
Hf       7.61864004       7.75986994      10.30209996      -0.73184928       0.23782529       0.65769876 
Hf       4.97181001       7.89810996       7.93976002      -2.05843850       0.10279137      -0.68708882 
Hf       4.75332003       7.66303998       2.64972999      -0.25242046      -0.75855314      -1.19809501 
Hf       5.10075998       4.97643004       0.61119901       0.14303274      -1.17227904      -1.30628045 
Hf       2.60124998       7.60339003       5.32090997      -1.26559161       0.28203158       2.17061765 
Hf      10.21929997       4.95636999       5.31709998       2.35036900       2.07828562       4.06647923 
Hf       5.17114001       5.22584001       5.42541996      -1.54816834       0.30650552       0.11780605 
Hf       2.87898002       5.10434002       8.36300995      -1.27965527       0.96920956      -4.67900673 
Hf       2.29372001       7.57982005      10.32479995       4.28342625      -0.22887606       3.36072401 
Hf       2.26235000      10.23999997       7.44421002       3.96434595      -0.83956262      -4.01282938 
Hf       5.04745001       2.57673004       2.95067997      -0.65606483       0.12048487      -0.73933185 
Hf      10.27799997       1.98010997       8.21707000       4.30246713       3.54440502      -6.61050295 
Hf      10.16529997      10.21399997       5.14601000      -3.26106852       2.27437633      -0.89353974 
Hf       7.99359998       4.97781002       7.96362995       0.16102511      -1.54251143      -2.84555940 
Hf       7.29985996      10.30440002       7.49536005       2.67159681       0.35189177      -1.62102162 
Hf       7.88595998       2.43960002      10.34069997      -1.72132866      -3.36516515       0.82971951 
Hf       7.58963999       7.65865000       4.91275997       1.26717247       0.53430380       2.33029260 
Hf       2.64199002       2.52032004       5.89864999      -0.06697031       2.68315448      -2.42842736 
Hf       4.94506003       2.22013001       8.24620001       2.35660059       3.28031372      -0.37877789 
Hf       5.00099998      10.17020004       4.76087996       2.52961386       0.50203630       1.27921183 
Hf       2.61346997       2.23844998       0.11089001       0.94835517      -1.53625277      -0.88958788 
Hf       2.28305995       0.12347797       2.66247998       0.11074796      -1.85059235      -1.81314621 
Hf      10.02939994       2.56905997       2.92606004       1.20717816      -2.09764783       0.85634437 
Hf       7.68537002      10.45320000       2.19952999      -4.21065923       1.93862614       0.87423160 
O       6.31395002       1.06618002       3.35118002      -0.25909305      -0.46762627       1.07081558 
O       3.47974001       8.75797000       1.02033000       2.67579616      -0.22250257       0.60554403 
O       1.98285000       7.11572999       7.32816002      -1.04756583       0.66615422       1.65534193 
O       1.97713004       2.30355998       8.71449004      -0.21849978       3.63557624      -0.60735942 
O       3.41458997       3.49506003       3.80635995       0.56601703       1.07478278       0.07753657 
O       0.86842001       8.30403002       9.35053997      -3.39812713       1.13776500      -0.20659228 
O       9.20942997       6.63642995       6.19395001      -0.63008964       0.71853720       0.22210456 
O       6.26621004       6.51470002       3.85372997      -0.87086746      -0.96263774      -0.20613108 
O       1.10478999       9.20441000       1.63286004      -0.87564349       0.87574170      -3.90359030 
O       0.82593099       6.52598001       1.83581997       0.44041118      -2.07918007      -1.65632552 
O       8.85006003       8.97616998       8.43423995      -1.56845381       0.20094973       2.71928856 
O       6.59284005       0.71606901       5.85878005      -1.60336984       0.66448779      -0.30691780 
O       9.70912994       5.78438996       8.50558996      -0.19264823       1.81091735       1.69749510 
O       3.41841998       6.09838002       1.36934999       2.29188175       0.48739484       2.53032211 
O       1.33789005       4.18440001       6.86001996       0.69637729      -0.43875261      -0.16108469 
O       9.09645003       1.42076004       4.19979005      -0.56058657       0.50337426       0.79622723 
O       9.04255997       6.57446998       3.53837000       0.30514818       2.31985060       0.49087975 
O       8.31526997       9.23084998       6.04693004       4.38846073      -0.73680231      -2.82337112 
O       3.78456998       1.29394999       4.51192003       0.12787574      -2.09533648      -1.12436868 
O       6.41179995       9.42807003       1.10267995       1.46396070      -3.48432196      -1.80071599 
O       4.32300999       4.04982997       9.25345994       0.83366054      -1.10338235       0.62471419 
O       6.00467997       3.62454000       4.76255003      -0.33193584      -1.95999099      -2.54140091 
O       8.59767999       4.27267996       4.47385997      -0.96569937      -1.53923324      -3.93414984 
O       3.69487003       9.27065001       6.17547000      -0.14661444      -0.45371227       0.01758366 
O       3.78044998       3.51157997       1.34621002       4.08074889       2.57098845       0.04096706 
O       1.74817997       5.34087004       9.96225997      -0.22869502       1.30482040      -0.94576881 
O       8.98542995       6.36017001       0.57263097      -1.31400698       0.87840044       0.69168539 
O       0.75468705       9.02669999       3.79994995      -0.17339792       0.61160548       3.05869578 
O       9.24812996       1.04695003       9.34443998      -2.02858696      -4.01557968       4.46939223 
O       3.46672004       8.93115997       3.34776002      -0.24980063       1.07920847       3.53568423 
O       0.61911999       9.34074004       6.57172995       1.10797888      -2.03680825       1.52449205 
O       6.20988996       8.82182003       6.17527004      -2.95393369      -2.21671455       1.20188558 
O       9.06626002       8.97845002       0.62538704      -0.62904938      -0.09872773       1.89378564 
O       1.10057001       1.41276004       3.42077999      -0.46731940       0.29451330       0.71136393 
O       1.58038003       3.44220000       1.18720000      -4.87841926       4.11422286       2.47365915 
O       8.98949001       3.59456001       6.70359004       1.02916844       1.51418337       0.78491229 
O       6.70275998       2.96780998       7.17163996      -1.00695836       2.36418536       1.41218440 
O       4.10758001       3.66702996       6.42313999       0.63351944       1.89710754       2.47595629 
O       9.37289002       4.07165002       1.82615995       0.06730220       1.01797970      -2.00234089 
O       1.43182004       0.24207799       8.91418004      -4.95184982      -0.61179140       3.75989985 
O       6.34980005       4.08324998       2.23721998      -1.39585943       0.65342878       0.23710175 
O       1.05358997       1.14991005       0.61744499      -0.64782498      -1.43266131       1.35084109 
O       6.55829998       7.02042997       8.75613004       1.41576956      -1.26601290       0.59956946 
O       8.83708000       1.36918995       1.61874004       3.18547969       2.49498749      -1.14639789 
O       6.89999995       4.10358001      10.39030004       0.05072479       1.69425443      -2.61163980 
O       3.54897001       9.10175999       9.22188000      -0.73137825      -2.00334627      -3.71079772 
O       5.98465995       9.51279005       8.87286001       1.85319345      -2.01914744      -1.85711842 
O       3.53473996       6.21487995       4.39093003       2.88884893      -0.58360888      -3.23970904 
O       6.51978004       1.43604003       0.89072804      -0.80319654       0.12847905      -0.40369292 
O       3.87362999       1.27069998       7.03560002      -2.21883907      -2.16709346      -1.22875521 
O       1.13902004       4.30372005       4.16018003      -1.35863055      -1.99805779      -2.82226582 
O       3.61719995       1.22267996       1.65325998       0.46432222      -1.99317622       1.31739538 
O       9.46525999       3.44557001       9.28663995      -0.28588932       2.09576441       1.94343238 
O       9.13889000       0.95947604       6.82439999      -0.28429374      -0.00347778       0.40197091 
O       1.14929998       6.55926996       5.07179000      -3.34466844      -0.74945904      -0.99419800 
O       6.53366004       6.58742004       1.15560004      -1.09643848       0.36779972       0.24656605 
O       4.06442998       0.96058897       9.56068000      -0.26363146       3.38956578      -0.01038171 
O       6.71316998       1.37322998       8.80676002       0.44147091      -0.15249179       0.87403017 
O       6.82188005       5.75129998       6.32504000       0.82194234       0.66940005       1.11976820 
O       3.86488996       6.59343000       9.64109001       2.23233413      -0.74398209      -2.83684329 
O       4.12437999       6.39896004       6.88328004       1.49510619      -0.65884732       0.01649511 
O       1.19876998       1.18977003       6.25325002      -0.29769413      -1.00693001       0.33289007 
O       6.04999004       8.94182003       3.36171998       0.06906314       0.47176956       2.31099492 
O       8.69377998       9.29940000       3.37094002       1.14176810      -2.05547387       1.68234872 
96
Lattice="10.48288728 0.0 0.0 0.0 10.48288728 0.0 0.0 0.0 10.48288728" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.052781732689230365 0.009337071778347599 0.00624395276408717 0.009337071778347599 -0.02749202884885836 0.001643463277279149 0.00624395276408717 0.001643463277279149 -0.03862593886752589" pbc="T T T" energy=-922.69509152 free_energy=-922.69509152 config_type=crystal 
Hf       0.03034314       9.98722995       0.24768295      -2.23786763       3.42358708      -1.71982437 
Hf       4.66988004      10.21180002      10.30099996       1.73493150      -1.83505849       0.22019943 
Hf       0.07558948       7.46161004       7.89943003      -3.92793231       0.54626456      -2.67330424 
Hf       7.68066003       2.43755003       5.36278998      -0.82880959      -1.60250899      -2.90325707 
Hf      10.33409999       5.02291003      10.35849996      -3.02792852       0.22694698       2.12298278 
Hf       0.39726505       7.34153999       2.77844000      -5.00705221      -1.29394856       1.39958119 
Hf       2.58581999       4.72210002       2.27443998       4.16629840       2.70827118      -0.19611368 
Hf       7.71809998       4.95058996       2.42561998      -2.31616356       4.24833716       2.56947001 
Hf       7.73880001       7.70745995       0.08939670      -3.83839909       0.53478663      -0.59632207 
Hf       5.08273000       7.81756004       7.68320004       0.95030119       0.76595336       0.14945911 
Hf       4.96719999       7.88902000       2.53462000       3.56781227      -1.53874034       0.22893618 
Hf       5.09922000       4.42418003      10.31160005       0.82958961       3.44567556       3.49079273 
Hf       2.87552999       7.38478001       5.09576998      -1.50566172       0.02151109       1.44275224 
Hf      10.01720000       5.38502995       5.44523998      -2.02868794       1.15122988       1.06282181 
Hf       5.13303004       5.11639003       5.29581995       3.67650633       0.45437221       0.25272750 
Hf       2.29313998       4.58698996       7.82137005       5.00626793       0.83369856       3.97262783 
Hf       2.58456005       7.12881998      10.31979997       2.83633669       2.07883702      -0.87673285 
Hf       2.00596998       0.12706800       7.87868995      -2.09899195      -0.53794299       0.48724139 
Hf       4.97809999       2.47513999       2.77547995       4.92956077      -2.73035916       0.87728489 
Hf      10.15639996       2.55540001       7.74949004      -4.63569279       0.40934164       0.67747499 
Hf       0.19536097      10.38189997       4.95632997      -2.81426355      -1.53815812       0.90629701 
Hf       7.42098005       4.55780005       8.26293997       4.31257499       3.86018276      -1.45757184 
Hf       7.90767000      10.31529998       7.91658003       1.10165301      -2.64332535      -0.21483901 
Hf       7.82438000       2.55014997       0.15910601       3.61488713      -2.14897903       3.67636064 
Hf       7.46972998       7.69949998       5.19927004       4.06520701      -1.78664971       3.37108903 
Hf       2.15227000       2.74009004       5.12897998      -3.08128765      -1.65055325       0.85797762 
Hf       4.70213997       2.44896003       7.63696998       2.08951106       0.63450419       0.17262648 
Hf       4.50021000      10.43380001       5.83678002       2.57023587      -1.99728996      -0.07815701 
Hf       2.09583003       2.20199997       0.21871098      -3.39330673      -0.68796483       2.10733810 
Hf       2.50623999      10.11390003       2.71191005       0.82872384       4.22823730      -3.56104688 
Hf      10.08999999       2.93866999       2.84663999      -1.44713089      -4.12014157       0.21396285 
Hf       7.83754996      10.31150004       2.46599996      -2.39967512       2.96828241       0.40556425 
O       6.78104999       1.18704997       3.88740001       1.67953356      -0.91192284      -1.63686425 
O       6.07766995       9.31944005       1.02630003      -1.02874332      -0.26810066       1.85601160 
O       0.97701600       6.61350997       5.96545997       1.84364863      -0.30204415       2.33172836 
O       0.67081600       5.60909999       8.72976003      -0.58465149       4.68729869      -2.68318274 
O       3.16698004       3.21486000       3.49837000       1.05908924       0.66720985       0.13335065 
O       0.40836402       1.41745996       9.23875002       0.93664324      -1.48893470       1.24629746 
O       9.04999001       6.70972998       9.62207000       2.42782059      -1.12336481      -0.59808227 
O       7.00179999       5.85482002       4.24632999      -0.05982543       1.29809089       1.23524832 
O       3.40713995       8.58587999       1.40350000       0.37279117      -0.88835004       2.02350571 
O       0.58673202       8.75405003       1.60600003       1.20728887       1.16100788       0.86452793 
O       9.80678005       9.37182996       8.78012999       0.53625144      -0.74819863      -0.07752901 
O       5.68677996       1.54645000       6.16079998       0.41349986       0.73338913       0.71520495 
O       9.34424005       6.23514997       1.89833002      -0.44601958       1.08368291       0.66526556 
O       3.94813996       5.88145997       1.03402005      -1.87482883       0.22161412      -0.95972667 
O       0.79351505       4.09803005       6.99306995      -4.59395879      -2.99002369      -3.36474442 
O       9.78941997       1.85364996       4.46473004      -1.53642936      -3.07787823       2.41143135 
O       8.96563003       6.05380996       6.94323001       0.94649044       1.32776604       1.79187897 
O       8.98291002       9.02071005       6.40984005      -1.28612233       0.75741548       0.32199114 
O       3.52169998       0.59823804       1.05870002       2.01949055       0.68626202       2.02128557 
O       8.50729000       9.48252002       0.55910395       1.24447756      -0.53989499       1.53186932 
O       3.89513995       3.58715000       9.22971000      -1.76053379       1.45947852      -4.70853983 
O       6.19324997       3.46445000       4.50399003      -4.26908403       1.55273899      -1.36705762 
O       8.68616003       3.86095001       3.77601001      -1.48440277       1.70171950       1.64898359 
O       3.43152000       8.75050996       6.84114000       1.75312984       2.05855481       1.86582578 
O       3.58874004       3.12725997       0.97865196       2.87044705       2.60806206       3.81044787 
O       1.62298996       9.08185002       9.95573003       1.85504402      -1.29919112      -3.14806586 
O       9.61521996       7.34136000       4.69885998      -0.63025726      -2.17336430      -3.17642374 
O       1.89563005       9.08704000       4.14103001      -1.92158493      -2.97352067      -0.35770392 
O       8.16976000       1.30610999       9.37331004       0.41934792      -4.84360631      -2.29829091 
O       4.49218996       8.43802998       4.80178998       0.53678852       0.74220676      -2.55815707 
O       1.32918000       9.11666998       6.30170005      -2.58705670       2.60065503       3.00422599 
O       6.19502996       9.78324995       6.80358998      -0.59611586      -2.47471896       0.41326511 
O       1.30778998       0.82269804       1.44941997      -1.47807876      -0.89791275       0.68749315 
O       1.57401003       1.05987997       4.10325996       1.33842930       0.20867731      -0.71585824 
O       1.02292999       6.36792999       0.71190399       1.99686075       0.99710802       1.75010377 
O       8.53737001       3.60452999       6.73305000       2.41722241       3.50535233      -1.44795909 
O       6.19619996       3.82799003       7.13458998      -4.76098210      -0.44022564      -2.88970989 
O       3.43922996       3.76551003       6.19822001       1.42141989       0.44276051       0.56934000 
O       8.96286003       3.93573000       1.30367000      -0.05310871      -0.80078277      -2.22822501 
O       1.41821001       3.92945002       9.91454004       0.61417422      -1.46823569      -0.60300937 
O       5.93796997       4.06754005       1.93091995      -0.57773396      -0.45059619      -1.58574127 
O       0.89561501       4.09544004       1.98187003      -0.32748390      -0.39570718      -2.24975664 
O       6.44219003       5.94487997       9.29142999      -2.01284673      -1.49589883       2.43137378 
O       9.34649995       1.41899004       1.72703000      -0.95426240      -0.97099624      -0.50766868 
O       6.47027997       3.18169005       9.51380002      -2.85834382       2.50638750      -0.87924396 
O       4.39146996       8.26989002       9.42340000      -1.97333735       1.29707989       2.25873346 
O       6.88987001       8.45642000       8.90005999       0.71809941       1.39564497       0.25421182 
O       4.25282005       6.17411996       3.83010003       0.58075557      -0.50634924      -0.62878609 
O       6.76298001       1.63242005       1.42718996      -3.36339281      -1.49674948       1.29583796 
O       4.25079999       0.56092305       4.07636999      -1.95900910       1.08738741      -4.43137332 
O       0.58000998       3.90122998       4.58637996       3.11275058      -0.57234372      -1.07960522 
O       2.93167004       1.51408000       9.31810998       0.36157100      -4.79429862      -5.96924334 
O       8.97534997       3.55851001       9.13861004       1.92329007       2.77370426       1.70999171 
O       8.52398001       1.49713001       6.89094996       0.79789149      -4.79504977       1.00958192 
O       1.98195002       6.35356005       3.34398999      -0.48681074      -0.06796166       0.31651106 
O       6.45596999       6.67783999       1.77141999       0.71470733       1.25494236      -0.95509074 
O       3.25445995       1.40134996       6.72242004      -1.29418723      -2.65833008      -0.57360818 
O       5.08453002       1.12764995       8.95417999       2.45664659      -2.99154825       0.59007042 
O       6.40749995       6.67293001       6.85722997       0.15981252      -1.09316933      -3.29138562 
O       3.00396004       6.11866999       8.56423996       1.51638420       4.52087009       3.84976336 
O       3.76897001       6.14041003       6.37722003       0.37906572       0.42351825       0.11742987 
O       0.88293900       1.39819996       6.80971995       1.04532375      -2.09811767      -3.03183247 
O       6.75164004       8.84586996       3.98685997      -1.02170687       1.47681028      -4.44357671 
O       9.31592000       9.63401001       3.45962001       2.41316529       0.43159212       1.32485558 
96
Lattice="10.62426021 0.0 0.0 0.0 10.62426021 0.0 0.0 0.0 10.62426021" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.028583204370522797 -0.007834055189079439 0.0106940310434968 -0.007834055189079439 0.03255695168860624 -0.0035884290878799973 0.0106940310434968 -0.0035884290878799973 -0.00014086467563564139" pbc="T T T" energy=-927.30686326 free_energy=-927.30686326 config_type=crystal 
Hf      10.41400004      10.30250003      10.54050555      -0.02682850       0.04524067       0.95047914 
Hf       4.89838996      10.39739996      10.39819996       2.34474281      -2.94115636      -0.54265074 
Hf      10.19359998       7.71509999       7.99755998      -1.39830958       1.12735380      -0.49271186 
Hf       7.51410004       1.96888004       4.81487999       4.18262499       4.83395657       3.74763467 
Hf      10.35750002       5.14362998      10.13550004       1.51268780       2.60530652       2.23326155 
Hf      10.46240003       7.19014998       2.48340999      -1.96260386       0.74930723      -0.64007470 
Hf       2.15144998       4.54201998       2.00224999       3.48944625       2.95903763      -1.56877231 
Hf       7.65016005       4.58892003       2.65522999       0.60827003       2.39624601      -1.87778703 
Hf       7.96781003       7.61284999       0.20033604      -1.48266982       2.13059787      -2.12967511 
Hf       4.96487998       7.29684996       7.98608004      -0.94527062       3.71610290       3.62044737 
Hf       5.11492004       7.46661002       2.87172999       2.46556629       3.95281017      -6.01815655 
Hf       5.29721003       4.80639003       0.03975279      -5.02598493      -5.19706610       5.19952604 
Hf       2.00338997       7.72116995       5.03155997       2.15091535       2.68502979      -0.19499837 
Hf      10.16620001       5.36052998       5.31841000      -0.08900040      -6.15462341      -0.84306034 
Hf       4.83422995       5.03814998       4.81171003       0.06496882      -1.78274852       0.97817016 
Hf       2.28382997       4.77011998       7.43827002       1.61625551       0.09578064       0.32158206 
Hf       2.50763999       7.60904002      10.40370004       3.97881228      -1.21632157       1.27933399 
Hf       2.05541995      10.08150001       7.89433998       6.36864350       4.11363795      -3.57476396 
Hf       4.97187000       2.10093003       2.50522999      -0.46169229      -1.32220341      -0.06093320 
Hf      10.32770003       2.48069995       7.68557996      -0.75713263      -2.82744720       0.55237131 
Hf      10.24279997      10.17110003       5.03895998      -1.39290581      -0.21301380       1.62771451 
Hf       7.70148001       5.17163999       7.80745998      -1.05968188      -2.53015482      -1.37677102 
Hf       7.76348999       0.05289458       7.40976003       0.69865649      -0.87639216       3.10427066 
Hf       8.08918997       2.24998001      10.47499998      -2.63825855       0.18323243      -1.12665361 
Hf       7.41243001       7.79464999       5.52159005       3.06505910       0.94761657      -2.47661482 
Hf       2.53346003       2.54415005       4.67551997       0.44179000      -2.82285360       2.19681635 
Hf       5.06890998       2.47801998       7.64627997       1.54511182      -2.03551625       2.00419910 
Hf       4.89980002       9.95558999       5.59726995      -3.81223196       2.53286712      -2.19469588 
Hf       2.24693998       2.48647997      10.21860003       1.82112695      -2.63237039      -1.36394541 
Hf       2.18934003      10.42930004       2.53653001       3.90747427      -4.37711943      -1.74123857 
Hf      10.29979998       2.23933004       2.53638999      -4.93068044      -2.38201211      -0.88950638 
Hf       7.89268004      10.24149999       2.54602003      -1.28740505      -2.31916768      -1.64237905 
O       6.20046997       3.20068004       1.34638997       2.84267159       2.06216889      -1.45967916 
O       3.71615002       0.73387301       1.66688003       1.65673891      -0.15336933      -0.52364699 
O       6.51678002       6.55874000       6.93063001      -1.42070919       1.39265294       2.41968510 
O       9.02770004       9.10036998       6.57014004       0.44299087      -0.99625583       1.97940784 
O       6.18553003       2.73779005       9.50628004       1.62417226       1.65394631      -1.07273451 
O       8.64968004       9.03494005       4.21546996      -1.00152493       0.58656267      -0.34461195 
O       6.19291995       5.88266000       1.97801000       0.72530487      -0.83065885      -0.88684781 
O       6.59186995       0.26610202       0.98933005      -0.83069057      -0.17230223      -0.22152570 
O       5.90248997       8.36742001       9.64097005       1.29474183      -1.56183398      -1.09991912 
O       1.47677004       8.81000002       0.79066297      -2.80186458       1.94755527       1.55126318 
O       0.61578605       1.37466995       9.80880000       0.43620246       0.07203662      -2.23746149 
O       3.65285004       3.35224000       6.54698999      -1.75161677       0.96538626      -2.45989616 
O       3.67342997       8.87449003       9.20613003      -2.96132682      -0.27021178      -0.98303608 
O       9.10332002       6.17438996       1.02076001       0.40215824       0.47029901      -1.42806895 
O       9.08408001       4.01160995       6.96677003       1.33113647       0.38513965       2.25863257 
O       0.97765399       6.66847002       9.25160005      -1.33688290       0.04126701       0.89573647 
O       0.48695500       6.05034004       7.05341002       2.43252736      -0.47047762      -1.07321614 
O       6.49413005       5.70025005       9.75397999       4.36486650       2.86153841      -4.41150887 
O       6.52918002       9.28633002       6.42588001      -0.49592865      -1.15394033       1.29476885 
O       0.38824903       8.80732005       3.86630003       2.53934805      -2.42036012      -1.89393115 
O       6.28513003       0.36159096       8.72624005      -0.37019359      -0.46036289       1.10253563 
O       3.11230000       9.29189001       3.93966002       1.07419053      -4.52056469       2.81391340 
O       9.39142998       9.09930001       1.58587004       2.24325188       0.05906585      -1.26931461 
O       3.81456998       6.22226001       3.29035995      -2.32330889      -2.28183530       2.53126425 
O       9.25591998       0.96520798       3.86424997       0.15856727      -0.32125504      -2.60766675 
O       9.25572004       3.74272002       9.53213003      -2.70750031      -2.21532952      -0.63584306 
O       1.32487999       1.52641997       6.97025999      -0.10137515      -1.91936447       0.29518878 
O       3.70190002       8.58019005       6.57307000       0.35717432      -2.63344200      -0.42961143 
O       0.72027799       9.43207001       8.90255996      -0.63056105      -1.96840008       1.34810905 
O       6.10598003       9.05983003       3.74221005      -1.08160643       0.36533992       2.52985458 
O       0.99771004       9.16982002       6.36424996       1.25300446      -1.60173864       0.06269777 
O       0.88132902       6.35318001       4.04274998       1.15864207       0.32707703      -0.27037333 
O       3.75538998       3.36565004       1.45539998      -3.58532173       1.63084263      -3.20660508 
O       1.02712001       3.62149997       5.22048003      -0.20108813       1.84371580       1.53322186 
O       9.12429996       3.36985003       4.93866005      -1.28887269      -0.34578247      -4.21264853 
O       9.34488000       5.62646000       3.47616997      -1.16598238       1.53781693      -0.70417256 
O       6.27268998       4.04925000       6.56276001      -1.31586189      -0.93848817       1.26441566 
O       1.37121005       2.95125003       2.70573995       2.93603447       0.73765504       2.59138353 
O       1.21062000       0.76390598       1.25678996      -3.78540657       2.24123578       0.18282810 
O       8.69390002       6.45578996       8.86935001       3.35070419       1.48649965       1.24652590 
O       3.50606005       5.99643998       8.57388997       0.75253346       0.53868236      -1.59956668 
O       3.52204000       0.88896001       9.66091997      -1.76205721       0.29544317      -0.34469932 
O       7.31783999       8.25529996       1.82678003      -2.12761099       0.06372109       0.41611928 
O       6.40831004       6.23740001       4.67887001      -1.09965533       1.55425088      -2.36197058 
O       3.89096000       6.10376998       0.62960598      -1.95495890      -1.39573790      -1.11533269 
O       0.97486703       6.11437001       1.17437003       0.91542040       0.32171638       1.54035096 
O       3.73427001       3.31554996       9.00938998      -0.67124975       1.56060599       0.50983811 
O       4.11723996       1.20467998       4.22469999       0.98737286      -0.91288527       1.18355735 
O       3.93157995       8.43331996       1.24888997       1.44189361       0.82082741       1.26124539 
O       9.10669003       3.61701005       1.55501995       0.03029391      -1.79446156       0.26364534 
O       4.15096997       0.31632598       7.07843005      -1.05670869       1.86128399       0.00392317 
O       2.79175003       5.71948995       5.61357001       1.74977774       0.96843676       1.22673631 
O       9.04978001       1.06330996       1.12892996       1.25720473      -0.73884639       0.72765222 
O       6.44296000       1.19170999       6.39188004       0.24428084       1.03015605      -2.36531038 
O       9.22036005       0.96554902       6.22565999      -1.06439226       1.35296141       1.31038661 
O       9.24210005       9.02731002       9.40772005      -2.64609567      -2.57387331       1.49507454 
O       9.06019997       0.97656797       8.92314000      -1.33724301       1.71998602      -0.05235901 
O       1.11569001       3.47784000       8.73697003       0.41717908       3.31371179      -2.34573388 
O       0.98319496       3.82571005       0.41359501       0.98599112       0.61803972       2.19596769 
O       8.97357995       6.51364002       6.25393996      -2.88175265       2.15766345       0.51606024 
O       4.09740000       3.53300998       3.71004001      -2.50844424       1.68703226       1.54537653 
O       1.58315002       0.55044303       4.14194997      -3.11558878       3.65142013       2.49992687 
O       6.82634004       1.57129005       3.16670004       0.38643916      -3.44756884      -1.43888522 
O       6.48708999       3.82889998       3.85500995      -1.40093074      -1.52835096       3.39846602 
96
Lattice="10.63329732 0.0 0.0 0.0 10.63329732 0.0 0.0 0.0 10.63329732" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.05748554683316473 0.0005989654058993994 -0.005478767119705559 0.0005989654058993994 0.056234184352916515 0.006647456929362779 -0.005478767119705559 0.006647456929362779 0.049156164362625064" pbc="T T T" energy=-933.8896899 free_energy=-933.8896899 config_type=crystal 
Hf      10.30829994      10.03780003      10.38420000       2.41263576       1.33355387       0.68390021 
Hf       4.70431003      10.16070000      10.58190000      -1.17390338      -0.87629397      -0.24072907 
Hf      10.41909135       7.68399004       7.68968003       1.11242696      -0.91534890       0.36439267 
Hf       7.95598001       2.52711997       5.11125004      -1.46365664      -3.04892586      -0.48756424 
Hf      10.26200002       4.90641998      10.42350002       4.03490447       0.27074891      -0.51358377 
Hf       9.95626996       7.31379999       2.60239000       0.81335756       2.55369873      -1.33868734 
Hf       2.27747003       4.67857001       2.67661998      -0.32608235      -1.39028440      -1.94535627 
Hf       7.77520002       4.75033998       2.58553005      -1.18570713      -2.09688900      -0.90780554 
Hf       7.71347001       7.70906995      10.43977833      -1.35955483      -1.11671148       2.61533326 
Hf       4.70315004       7.77120998       8.03007995      -1.19807331       1.57461167      -0.90121503 
Hf       5.04566003       7.55042998       2.57061005      -0.97689887       0.73498035      -1.32186625 
Hf       4.78750995       4.94445997      10.44914137      -2.50737811       0.09239009       1.62025209 
Hf       2.15608999       7.30455997       5.20573997       0.06793476       2.97547324      -3.24715724 
Hf      10.48160004       4.75366001       5.71130998       2.98528524       3.76339990      -4.76652325 
Hf       4.92230996       5.26872003       4.93783000       0.71105238      -2.07644257      -1.32436481 
Hf       2.77511005       4.93905995       7.63454000      -1.87413265      -0.40000621       0.36787355 
Hf       2.10831001       7.62152995      10.59050000      -1.00748234      -1.52004310       0.30714154 
Hf       2.61437000      10.56540244       8.06990005       1.79441963      -1.03711559      -6.58903574 
Hf       5.13740997       1.87369002       2.20624002      -1.34119878       3.49096414       2.30104815 
Hf      10.44633131       2.41027003       7.75032002       1.11015838      -2.78005048       0.40375565 
Hf      10.06889997       9.78401001       4.92415005       0.79104083       1.41923987      -1.11103590 
Hf       7.55268998       5.34863000       8.41586001       2.18148758      -0.95864078      -3.98769212 
Hf       7.76981000      10.29050002       7.96847998       0.09673773       0.75573421      -1.74247702 
Hf       7.93919003       2.54338998      10.44500002       0.01608146       2.72862392       1.79653588 
Hf       7.81960999       7.14318001       5.36926998       0.38511074       1.21987111      -0.27015284 
Hf       2.67554995       2.04661998       5.21115997      -1.49700826       0.60907026       0.10761571 
Hf       5.70444002       2.46273004       7.61939999      -1.56683623      -3.07803820      -0.08034821 
Hf       5.11073996      10.09690000       5.01566999       0.65520969       1.08237543      -0.55293756 
Hf       2.45353000       2.16300003      10.17420003      -0.89980557       3.29339908       2.62458878 
Hf       2.00358000      10.05410002       2.29038002      -1.50280966      -0.17304001       1.95876134 
Hf      10.37479995       2.12460001       2.93056003       1.40022517      -2.41355445      -4.37718034 
Hf       7.50952996      10.48010000       1.82980003       0.15374114      -0.99591502       2.75511164 
O       6.60740995       3.24235000       1.36697002      -0.36869906       1.21528819       1.45255202 
O       3.22253995       0.95554095       1.01816002       2.02392430      -1.94308926       2.43177072 
O       6.65238997       5.90982003       6.49124000      -0.59948949       1.06872987      -0.98997958 
O       8.89475002       8.52663005       6.61236996      -0.74360447       1.23230573      -0.38889663 
O       6.45289995       4.28272000       9.56462999      -0.83756842      -2.40858681      -0.41263692 
O       8.83447996       8.74004001       3.70024998      -0.81186197       1.39094519       1.30795451 
O       5.98702000       6.17252999       0.67516398      -1.36980256       2.14758798       1.67172461 
O       6.26911000       0.85687703       0.57489602      -1.71757391       0.79306535       1.18140704 
O       6.55697005       8.79074000       5.55069997      -1.53063267      -0.03819181       0.58062078 
O       0.76485201       8.59930002       1.20749002       1.82959719       1.49119089      -1.23024588 
O       1.66333001       0.36376095       9.54378001      -4.45522109       1.26097382       4.07770329 
O       1.16265005       3.01709997       3.78581995       2.94018386       2.02832288       2.47511288 
O       3.85076005       0.84133796       9.33860001       3.35511106       1.28004036      -1.79584105 
O       8.10645999       6.35301001       1.55266004       2.31741791       2.03187105      -0.11497712 
O       9.49516000       3.28713000       6.22455999      -2.90991498      -0.74154626       0.60100856 
O       1.05498004       6.25633005       9.63374004       0.01601618      -1.34283981      -0.40860030 
O       1.40532996       6.48125002       6.84768004      -1.23185930      -2.19947550       1.63520967 
O       6.46812003       6.94232000       8.90205998       0.00377549       0.31877926      -0.28528845 
O       5.96414001       9.45487001       3.03906996      -1.44086294      -1.25984130       0.01182986 
O       0.77204299       8.43416003       3.64758996      -0.75471149      -0.09119986       1.14311105 
O       7.42391001       1.47371004       8.88285997      -2.98635552      -1.83639569      -3.15750562 
O       3.16232997       8.78870999       3.86516997       2.08751079       2.33986531       0.11229762 
O       8.93498004       8.85471002       1.00396999      -0.52040271       1.84181365       0.54735710 
O       3.69497002       6.58665003       3.67901996       1.27985326      -2.95761610       2.60618292 
O       9.37465997       0.97321902       6.41745003      -1.78119991      -2.52400315       2.16608164 
O       9.00136998       3.83455001       9.13345999       0.02691776      -0.02304541      -1.42518407 
O       1.31839999       1.24342004       6.97427997       1.23869691      -1.12902858       0.11810748 
O       3.71378999       9.21662003       6.72354002       1.60019448      -0.43327325      -0.32817113 
O       0.72293396       8.60411999       9.19109002      -1.81520707       1.45103381       0.11814216 
O       6.34366005       9.15462004       0.59644398       1.21693192      -2.03995559       0.68996827 
O       0.75461704       8.71406999       6.23277996       0.14871429       0.64832400      -0.15730116 
O       1.20959999       5.68099997       4.29533002       1.75999171       0.03760564      -0.07314202 
O       3.70656999       6.29122003       9.07644000       0.91131744      -0.89538608       0.26955870 
O       1.29048004       3.56139996       6.33748997      -0.19778249       1.67234411       2.25573617 
O       6.45285997       3.78491995       4.33101005       2.04776737       1.34271363       0.56794087 
O       9.35503005       6.33268000       4.17168998      -1.85409784      -2.15740531       1.16411014 
O       7.06138996       3.61328003       7.05707997      -0.26406575      -0.70509197      -0.54873927 
O       9.15512002       3.60541001       3.69451002      -1.38142924       0.86804201       0.40787847 
O       0.30315796       0.70045102       1.29922996       1.05912890      -2.82072000       0.56543427 
O       9.08749002       6.40421997       9.54499997      -1.44985569      -0.00598987      -0.55601263 
O       2.99367003       8.85754996       9.20429998       4.12127824      -0.93177589      -0.27300244 
O       3.69253999       3.39925004       8.63488999       1.41353679       0.53434255       0.41253378 
O       5.92751001       9.37038995       8.80521000       0.22269240       1.51971033      -1.35644564 
O       6.43108999       6.42153002       3.61819995      -0.62134335       0.10763443       0.93073033 
O       3.20433001       6.02998001       1.36646005       0.06658046       0.58955627      -1.56797022 
O       0.39592402       6.02206001       1.62255004       0.39583921      -1.97523696      -0.74190764 
O       3.51494999       4.06424997       6.04148003       2.85329711      -0.10518953      -1.40181324 
O       3.79791001       1.13080002       3.77772004       0.38240203      -1.04373466       0.24498706 
O       3.43857995       8.91849002       1.08592995       1.73865916       0.14150999       0.68460793 
O       9.11432995       3.96264998       0.98406605      -1.74088698       0.49007727       1.96974574 
O       3.94866996       1.28160995       6.61616998       0.31790049       0.39873953      -0.20078283 
O       3.92568003       6.56647005       6.46786004       0.28287333      -0.84939808      -0.51731361 
O       9.17599999       0.99208005       4.03740004      -1.10199343      -0.62461145      -0.07258213 
O       6.44888003       0.98313904       6.00957003       0.15024897       0.84973761       3.22672478 
O       9.89551003       1.16530996       9.32959999      -1.18236561      -1.06418136      -0.06543562 
O       8.78749003       8.99985995       9.16054002      -0.80803515       1.54278272      -0.86172604 
O       8.68771004       1.68234001       1.30302999      -0.52711778      -4.40648868       1.84038200 
O       1.03583000       3.52533000       9.12219997       0.09385519      -0.17084474       0.15186343 
O       1.21657001       3.06857002       1.35210999       0.90785223       2.00484140      -0.79945878 
O       9.32553998       6.01590003       6.70319001      -0.78063620       0.57482008       1.97623503 
O       3.84327995       3.48929004       0.80938299       0.53218735      -0.88813303      -0.93129286 
O       1.06687998       0.47050905       3.90326004       0.10965336      -0.62391474       0.30398229 
O       6.48766998       1.12804005       3.69216995      -0.24367861       0.27426634      -3.68758963 
O       4.22109004       3.68648996       3.43637003      -2.26493277       1.72649472       0.24865148 
96
Lattice="10.6401102 0.0 0.0 0.0 10.6401102 0.0 0.0 0.0 10.6401102" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0559751718042296 -0.0036243735020303203 0.00865459605388345 -0.0036243735020303203 0.03356658082000144 0.007689734864467198 0.00865459605388345 0.007689734864467198 0.05121918642092322" pbc="T T T" energy=-927.8035407 free_energy=-927.8035407 config_type=crystal 
Hf      10.44120004      10.33909999       0.01839398      -0.82752591       0.44512415      -2.76346187 
Hf       4.67643005       9.65734004      10.63126965       2.44479069       1.65159640      -2.10402793 
Hf      10.39910000       7.74468000       7.43379003      -5.19287412      -3.92139822       4.58941532 
Hf       7.75786001       2.66483997       5.48374000      -0.35779009      -2.48989088       1.81256748 
Hf      10.21550000       4.60216995       0.20398804       4.12560281       2.47138008      -4.60402936 
Hf      10.35990003       7.48191003       2.42734004      -2.01038883      -2.20415517       2.07327446 
Hf       2.33443997       5.00573997       2.37118005       0.18928074      -3.03341144       0.80431411 
Hf       7.74747005       4.38242997       2.45438997      -2.25183418       2.44075807       0.17740930 
Hf       7.61205996       7.59776998       0.27116097      -2.46514794      -3.45318643      -1.49299107 
Hf       5.41944001       7.27354997       7.72446996      -0.83268224       2.58593225       2.28816918 
Hf       4.79465997       7.59514996       2.41603003       0.10827361      -1.97148876       3.36950296 
Hf       5.10769999       5.01358003       0.02269429       1.00045615       0.44848058      -2.11707896 
Hf       2.46735005       7.64082997       5.27242997       1.23427251      -0.39690343       0.66014454 
Hf      10.44990004       5.17642000       4.97824997       1.57265399      -0.85475772       2.26170784 
Hf       5.00863003       4.98755996       4.90207997      -3.42204579      -1.64518612       1.87742987 
Hf       2.35686996       5.15525001       7.79233003      -2.13059839      -1.53716434      -0.48713292 
Hf       2.22186004       7.32729997      10.28180002       1.54474774       2.13104611      -2.17924276 
Hf       2.22456997      10.13419999       7.98212002       1.23339951       2.53257931      -0.73241418 
Hf       5.12102003       2.15566005       2.58055997      -4.70430883      -0.74024698      -4.15386795 
Hf       0.07169487       2.14919001       8.30513004       0.32808298       1.64169807      -2.23524536 
Hf      10.55952371      10.27120002       5.29776003      -3.36217810       4.36441423      -1.39470474 
Hf       7.93938997       4.99950997       8.14100995       1.46775441       2.90856460      -1.53180893 
Hf       7.63030999      10.45149999       7.70629995      -0.07626022      -2.01602298       0.35848083 
Hf       7.51020996       1.92207005      10.40500005      -0.15247155      -1.30634121      -2.19097876 
Hf       7.67383996       7.51112001       4.74099998      -1.70172936       1.16465198       3.93237148 
Hf       2.52390000       2.49770001       5.28515001      -0.92374303      -0.31468876       2.99987621 
Hf       5.16080000       2.26340999       7.64904999      -1.27165957      -0.49622389      -0.54167918 
Hf       4.92403999      10.21479999       5.15866995       1.15376195      -1.29092499       1.92479929 
Hf       2.87094997       2.68832003      10.43000005      -0.92246638      -2.74905635      -1.63024282 
Hf       2.28818996      10.30740002       2.70755001      -0.81045280       0.81294886      -2.00159338 
Hf      10.36630005       2.20544001       2.48540004       1.69581976      -0.04206091       2.37928742 
Hf       7.74395998      10.12330004       2.42367995      -3.94478406      -0.02721226       0.05325516 
O       6.24124999       0.44992802       0.82231496       1.29568586       1.18161789       0.58027256 
O       3.45584002       0.92226496       0.82017300       0.47358023      -0.65631964      -0.23585716 
O       6.65374003       6.05497996       6.95056995       1.41430672      -0.76177743      -0.74048352 
O       8.85204000       8.83460001       6.02304005       0.64964294       1.79627385      -1.25480565 
O       7.02155002       3.41306996       8.52326996      -1.42340575      -3.75327109       2.00070039 
O       8.19124000       7.93182996       2.91675000       3.31932742       1.11596812      -1.01916103 
O       6.73870004       3.19690995       1.05353998      -0.21982883       1.27014896       0.21549016 
O       5.89121004       8.64874005       1.24169001       1.34801032       0.31654445      -2.97106088 
O       6.20205001       8.59715999       6.39153005       0.07600195       1.18308645      -1.03331535 
O       0.57246996       7.71159000       0.77583098       0.00119838       3.43803261       0.46192318 
O       1.17349999       0.78049305       9.43303002      -1.35384567       2.59838536       0.68878837 
O       0.97048700       3.93290000       3.45753999      -1.15216839       0.94954623       1.73039566 
O       3.19689995       1.68084002       7.95102004      -1.79061227      -1.20803733       2.95082952 
O       9.21745001       6.29350995       0.81515597      -0.73856098       0.41519980       0.07063634 
O       9.01980996       4.16731003       6.58266995      -2.99367763      -2.50767954      -2.50856847 
O       1.32193995       6.74867003       8.61884996       0.24975282       0.66712385       0.86182192 
O       1.16144996       6.23019002       6.40658996       0.18357846       0.38767848      -2.61890661 
O       6.63707996       6.16416005       9.67452999      -0.25221278      -0.59466794      -0.57564206 
O       6.20555997       9.07719995       3.56409005       0.91139581       1.60435840       1.56226574 
O       0.88803200       9.29403997       3.78679000       0.08192205      -0.91721307      -1.11173549 
O       5.92520998       0.77524801       8.81547005       2.46983694       0.48233489       0.05136156 
O       3.88069004       0.21722998       3.56232996       0.58314546       2.52602438      -0.88452715 
O       8.52490002       9.21636003       0.74479697       3.12329507       2.70500361       0.51103071 
O       3.82008004       8.43196004       4.07471000      -0.65578045       1.90580849       0.17329132 
O       8.72194997       1.03228998       6.45723997       1.59288164       1.59390966      -1.05186012 
O       9.28901996       3.34269000       9.61501996       0.96993798       1.82348343       0.44114333 
O       0.86673901       0.96865403       6.59664999      -0.07114055      -1.92047878       1.84049479 
O       3.42760999       9.52303003       6.56085996      -0.59488550      -1.41601048      -2.01509971 
O       9.09121999       9.13240999       8.68512997       0.08093011       0.42101238      -1.04759084 
O       6.51460995       6.08943998       1.67011000      -0.04231538      -0.79552266      -1.35521134 
O       0.74801805       8.88009999       6.28834003       4.71278171       0.18577711       0.10511771 
O       1.14810002       6.69975000       3.82355999      -1.75390671      -0.35074931      -1.27050236 
O       3.87555002       5.76602000       8.81536003       1.85022962       0.27724988       2.16670776 
O       0.60814401       3.64714005       6.71608001       2.18260860      -1.08950372      -0.20587807 
O       5.64618001       3.78730999       3.36114995       4.02417067       3.62187418       0.83818268 
O       9.44532999       5.50689001       3.14932004      -0.72526269       2.35146753       2.94582743 
O       5.82612002       3.78492000       6.32261001       2.56980801      -1.93977013      -2.55332033 
O       8.54685004       2.83198003       3.53113997      -0.44505140       0.73368930       3.63097814 
O       0.73593397       0.75200000       1.64434998       1.35761327      -4.42478225      -1.83619455 
O       9.37479000       6.33153004       8.75203999      -0.35067562      -0.86444751      -0.04125884 
O       1.00827004       9.14606998       9.23900996       0.05668607      -0.90659937       0.91302319 
O       4.58884002       3.17616004       9.37985001       0.00221990       1.98280209       1.81227076 
O       3.83276996       8.51141996       8.90529003      -2.67196779       1.88135986       2.77185137 
O       6.01575998       6.38920997       4.03908000       2.38575560       1.38722408       0.89324355 
O       4.07188005       6.56267005       0.62706596       0.14613099       0.58318726       1.07096903 
O       1.77754000       5.72208996       0.57739899      -1.82630322      -2.19861311       2.32329589 
O       3.44731005       4.21165003       6.42908996      -0.78896616      -1.31046363      -1.36337371 
O       3.51275003       3.53347005       3.98819005      -0.35275163      -0.63673981      -1.20529309 
O       3.11602001       8.85368996       1.34894998       0.69395956       0.44752707      -0.18514935 
O       9.44580997       3.84085996       1.69026003       0.25255609      -1.83083158      -1.28501911 
O       4.01758995       1.17325995       5.99077998      -0.60120643       2.38363149      -2.97555409 
O       4.01107001       6.75505995       6.39256001      -1.83735926      -0.02046867      -1.96928316 
O       9.12377001       0.25638101       3.44344003       1.78069558      -0.46807187       1.38810032 
O       6.40715995       0.89978901       6.17310998       0.08667300       0.11447710       0.43651724 
O       9.06221995       1.11471998       9.04869999      -0.69416843      -1.94183149       0.33305305 
O       6.17506999       8.93135000       9.17538997       1.31435984      -1.02239865       1.24545991 
O       9.13026005       1.43352002       1.05092996      -1.64480686      -1.54896033      -1.59044683 
O       1.47658002       4.02156999       9.44819005      -0.52224194      -1.78603332      -1.55036250 
O       1.54329000       3.20414002       1.24290000      -2.53508531       0.07640603       0.17166730 
O       9.24717996       6.43919998       5.91946996      -0.31151298       1.66785547      -1.81189232 
O       3.91092998       3.69988999       1.12971998       1.15165305       2.14854494       1.52812568 
O       1.08857999       1.34147998       4.13819997       0.46228173      -0.51519918      -0.46925685 
O       6.41664997       1.47842001       3.53663005       3.78441433      -3.43332776       2.72392005 
O       3.54018002       6.24367997       3.44576000      -0.02728267      -2.51369887      -0.10365129 
96
Lattice="10.64661106 0.0 0.0 0.0 10.64661106 0.0 0.0 0.0 10.64661106" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.048928945543380134 -0.01158480757304532 -0.003449286675548025 -0.01158480757304532 0.03868519569899344 -0.009999844918471052 -0.003449286675548025 -0.009999844918471052 0.06720828348264961" pbc="T T T" energy=-933.86337851 free_energy=-933.86337851 config_type=crystal 
Hf      10.38450001      10.00170005      10.52709998      -0.35400280       0.83585997      -1.36734595 
Hf       5.09871005      10.34280001      10.34940005      -0.84959291      -1.82038902      -2.85608322 
Hf      10.29399999       7.47789002       7.96621004       0.61209877      -0.13425776      -0.19577286 
Hf       7.83172003       2.02229002       5.16370005      -2.26058796       3.71615553       1.69605443 
Hf      10.45989995       4.96662000      10.42069998       0.11592229       0.23945027       1.01195376 
Hf      10.48560002       7.50567001       2.62074998       0.27421599      -1.73260275      -2.81436272 
Hf       2.21239005       4.91064001       2.81562001       4.31647661       3.10405008      -4.98080132 
Hf       7.45757001       4.91256002       2.24150002       0.73842322      -0.40062142       1.66285704 
Hf       7.21179001       7.67810998      10.31129998      -0.48459775      -1.38752642       0.69615825 
Hf       4.90973004       7.03358001       7.43856996       1.78926196       2.18288014       1.40999171 
Hf       5.31141997       7.86131004       2.56947004      -0.49401124      -1.28786638       0.38319590 
Hf       4.54818998       5.14219997      10.54632509      -0.32229797      -0.65769810      -0.79666793 
Hf       2.58825002       7.51760997       4.97725000       0.40682264       0.38250245       1.93565958 
Hf      10.22069999       4.71544004       5.14905000      -2.86366083       1.74638955      -0.83163405 
Hf       5.06461002       4.71840001       4.97672001       2.78905743      -1.70198532      -0.43914057 
Hf       1.94928003       4.51969997       7.20828003       3.48918175       2.42254505       4.39533550 
Hf       2.44279996       7.89145997      10.41450003       0.08753018      -1.37587405       0.59858858 
Hf       2.17595000      10.25170004       7.73607002       1.64808484       0.01883050       2.15715772 
Hf       4.99879001       2.39254998       2.25215003       1.09702317      -0.56107942       3.06305186 
Hf      10.21439996       2.00995997       8.03339005       3.94293486       2.06949086       1.65047827 
Hf      10.63503936      10.21350000       5.11933999       1.43852604      -1.37469895       3.51046811 
Hf       7.66207000       4.90662996       8.03780999      -0.60029023      -1.05840260      -0.69231108 
Hf       7.77519003      10.51560004       8.30020998      -0.27129761      -2.56945041      -3.64869804 
Hf       7.77051000       2.23654998      10.47350004       3.29871523       2.24520701       1.78760447 
Hf       7.99792001       7.79322997       5.28407000      -4.26160912      -1.65581318       1.99694984 
Hf       2.30150996       2.23444004       5.21860005       1.60585729      -3.21502676      -1.58053935 
Hf       4.90524995       2.30348001       7.74770996      -0.74273881       1.89386149       0.10655627 
Hf       5.14802004      10.49650002       5.32457003      -1.67949118      -2.30635334       2.58096574 
Hf       2.38202996       2.54433999      10.62261626      -1.63522318      -1.71555620      -2.46721095 
Hf       2.42014004      10.09010003       2.46165000       2.56522025       1.52095106      -0.62185268 
Hf      10.46640003       1.99961998       2.80843003      -1.48571141       3.46277953      -3.79295128 
Hf       8.07076998      10.53140004       2.61539005      -3.11294698      -2.56647815      -2.94713505 
O       9.65691998       0.68653096       1.55610005       1.05340798       0.29875725       0.79157060 
O       7.02707003       1.51767004       1.50102002      -1.29386103      -2.28561365       2.79987211 
O       6.66085003       6.33906004       6.60375002       0.00101878      -1.10130717      -1.22376810 
O       9.04902000       9.09307003       6.20352996       2.81598748       1.69356770       0.75668360 
O       6.75873998       2.98175005       9.01655997      -0.83121662       1.01998306      -0.97202832 
O       9.10815000       7.94979999       3.70953002       1.17296496       1.04489160       0.53729677 
O       5.96900003       3.85672996       1.19669995       2.23816873       1.15330601      -1.20883507 
O       6.16656003       8.87922997       0.98644397      -0.10820366       2.43101159       0.20535201 
O       6.34530002       8.84851003       6.33698002      -0.46775821       0.51315203      -1.66291165 
O       1.36863005       9.44717003       0.82728799      -0.10109220       0.31130283       2.03457592 
O       1.09036000       0.76853105       9.23443999      -0.76928929      -0.91976008      -0.20909453 
O       1.37037003       3.77343002       3.99546999      -3.23356082      -3.91589798       2.50568939 
O       3.77048996       1.59887004       9.24853004       1.05604304      -1.82159891       2.26788434 
O       8.49077996       6.17631999       1.17689001      -0.09165907       0.18418588      -0.11712165 
O       8.63309001       3.82185997       6.54551998       1.94976220      -0.45707441      -1.08330425 
O       0.85672396       6.01531002       8.69910997      -1.74033775      -0.59128334       0.13155717 
O       1.32122995       6.13705998       6.15224002      -0.95526314      -1.37014648       0.49857372 
O       6.17416001       5.93000000       8.91475005      -1.89153211       0.34328579       1.84847523 
O       7.08951996       8.77395000       3.65414997      -3.16740765       1.10777651      -1.76438167 
O       0.98086301       8.90530001       3.87180002       0.37553749       0.61336512      -2.05291076 
O       6.97018998       0.47111605       9.87807000      -1.81771874       1.53241067       1.68606100 
O       3.85551997       1.36696002       3.92743996       0.03033698      -1.38498765       0.59352247 
O       9.12977997       9.10898001       1.19822997      -0.90424960      -0.96403318       0.94762994 
O       3.74835001       9.11488004       4.09919002       0.71401115       0.73611023      -0.70416624 
O       8.95056003       1.08012999       6.85925995      -1.51250249      -0.45357527      -0.95424942 
O       9.28486000       3.64333003       9.22496004      -0.02705105       0.58841976      -0.22149433 
O       0.96913599       0.98700504       6.67670997      -0.56619797      -2.42794550      -2.08277408 
O       3.68041005       8.41136997       6.61921997      -0.00497235       0.32684364      -0.07511004 
O       9.12701004       8.99726001       9.15553998       0.12017182      -0.59905285      -1.09388976 
O       5.75676005       6.59287003       1.07146003       0.37413118      -1.33980780      -0.92523118 
O       1.38274000       9.03036000       6.34466005      -2.58813699       0.21204368      -0.97768606 
O       0.97175803       6.20726000       3.80429998       0.05780405       0.93560270      -1.67705532 
O       3.94445005       6.85942998       9.57403005      -0.06662001       0.75034007      -1.83609929 
O       0.87839396       3.15833995       6.42699999      -2.45236281       2.31354867      -1.38540468 
O       6.38470004       3.37900002       3.79241996       0.58267194      -1.13622123       0.12082707 
O       9.14854005       5.35602001       3.63805996       0.10990910       0.55251953      -0.04304169 
O       6.17571005       3.31722998       6.45853003      -0.74762665       1.42761369      -1.42183347 
O       9.07770005       3.06112000       4.03217003       2.25897198      -2.00885346       0.90564970 
O       4.39362003       0.23328301       1.32620000      -1.33417096       1.80914363       2.78112281 
O       8.40147001       6.35558997       9.41824000       4.21357041      -0.84090798      -3.23616777 
O       1.16537996       8.75222996       9.02384002      -2.76882064      -1.11638223      -1.03127813 
O       4.04854005       3.99682999       8.83301995      -0.15515961       1.67436122       0.18754180 
O       3.39675995       9.51514002       9.31554002       1.91146688       0.19167906       1.56065785 
O       6.15595005       5.85776998       3.56964005      -0.23872241       1.82582314       0.56658554 
O       2.67014003       5.44321001       0.67422603       1.18212650       1.65913130       0.53038119 
O       0.39771895       6.82587005       0.60386598       0.12005800       0.05884157       0.71003391 
O       3.53109995       3.36944000       6.13641000       0.15175223       1.75692126       2.18815291 
O       3.92956002       3.77412003       3.70090999      -1.68019929       1.42788484      -1.85731809 
O       3.37210996       8.34051997       1.60175996       0.52419099       0.91609489      -0.40896709 
O       9.15644004       3.17933997       1.39159000      -1.69702654       1.13887179      -0.83453426 
O       3.66506999       0.79578797       6.74490002      -0.90139521      -0.42491248      -1.77553205 
O       3.71068997       6.00788997       6.24387998       1.32709048      -1.78787659      -1.06324588 
O       9.08859004       0.56256501       4.14521000       1.39485549      -0.07488462       0.13572503 
O       6.06373996       0.76697302       7.10285995       2.23581312      -1.11685617       0.06564314 
O       9.32324997       0.96490002       9.50685004      -1.94903631       0.13651580      -0.05865184 
O       6.42866001       9.06438998       8.99747997      -0.25072456      -1.97782535       0.43736436 
O       1.95545997       1.40749997       1.66174999      -0.66551844      -0.82651591      -0.98191719 
O       1.39854000       3.21154001       8.88587995      -1.01721338       1.89263103      -0.38124831 
O       0.89412103       3.74779000       0.94075798       0.28503493       0.18523918       0.87661712 
O       9.34703003       6.38022996       6.22639005       0.76088899       0.72956702       1.89574126 
O       3.78105001       3.36519999       1.00924997      -0.10673127      -0.58529015       0.60038591 
O       1.21567998       1.05643000       3.84595005      -1.43618783      -2.99070701       2.34899746 
O       6.49630996       0.66377202       4.24191998       2.09768721       0.91786709      -0.72194383 
O       3.53868002       6.50969999       3.32727995      -0.37319995      -0.21056663       1.91650465 
96
Lattice="10.65438941 0.0 0.0 0.0 10.65438941 0.0 0.0 0.0 10.65438941" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.060687036926959016 -0.0005973170295807627 -0.001591342731444256 -0.0005973170295807627 0.03642038766042142 -0.0022572244801538927 -0.001591342731444256 -0.0022572244801538927 0.055892785818635764" pbc="T T T" energy=-934.6604668 free_energy=-934.6604668 config_type=crystal 
Hf      10.06410001      10.47850004      10.60292999       2.32413289      -0.59592679      -1.21787260 
Hf       5.17238003      10.58051390      10.47480936      -1.69151547       1.54089277      -0.40946261 
Hf      10.37189999       7.57106004       7.84268997      -0.86849690       1.52276940      -0.86685107 
Hf       7.60940998       2.15012003       5.26496998       3.67209918       1.79596239      -1.20068364 
Hf      10.41549999       4.60520001      10.60133790      -1.39409066       2.81700882      -1.94418029 
Hf      10.29620003       7.71956998       2.22594998      -0.31310519       0.88002304      -0.37248317 
Hf       2.29708998       5.01576999       2.41589995       0.11521974       1.76249171       0.15404643 
Hf       8.04362004       5.18909997       2.59151998      -0.41012291      -0.13329420      -1.94894685 
Hf       7.69881001       7.27079005      10.14770000       0.31748491       1.51561676       2.84745966 
Hf       5.08659004       7.96626001       8.26551996       0.98227398      -6.83527941      -1.38190329 
Hf       5.28412998       7.55572997       2.40164001      -0.56129758      -0.35092862       1.01741901 
Hf       4.76534997       4.61403004      10.14200001       0.45610261       1.18203645       0.46909318 
Hf       2.52089001       7.10148999       5.39053004      -1.52930475       2.20159385      -1.71246197 
Hf      10.33890005       4.70756003       4.94858000       1.21882950       0.37538118       3.56062422 
Hf       4.97927999       4.90084003       4.86634996       0.22655312      -0.90582249      -0.33825972 
Hf       2.00727002       4.71126999       7.94038998      -1.39865040       2.07524942      -0.48902324 
Hf       2.23444004       7.37552003      10.27959995       2.65631693      -2.66549196       3.23162057 
Hf       2.64596998       9.87657999       7.95714997      -1.98110392       2.19543203       2.24586713 
Hf       5.31127002       2.54613995       2.35496004      -2.38221980      -0.90149404      -2.09657735 
Hf      10.40990005       1.93221997       7.90747004      -2.10763901       2.31564206      -0.38445185 
Hf       0.14271054      10.25649996       5.37865999      -2.40645651       1.00650489      -1.90941356 
Hf       7.68644005       5.28524997       7.57557995       2.02499384      -2.91642413       0.67802460 
Hf       7.55930005      10.02500000       7.45738005       1.13593562      -0.44659728       1.58366700 
Hf       7.68102996       2.67946003      10.42030001      -0.25678649       0.33564133      -1.35638020 
Hf       7.70561997       7.59382996       4.95169002       1.00720153       0.84076324       0.75242757 
Hf       2.48420002       2.38299004       4.89437004      -1.27096208      -0.15772886      -0.37131317 
Hf       4.88551998       2.39811000       7.65707996       1.37420422      -2.49717878       2.64042453 
Hf       4.81381998      10.39860000       5.04856005      -0.21167897      -2.28360847      -1.11114171 
Hf       2.23133002       2.23406000      10.49007145       1.56933504      -4.45497109       1.74400299 
Hf       2.28678995       9.75990004       2.43217997       0.11235247       0.36530969       0.47586181 
Hf      10.32690001       2.11371004       2.88589000       1.07264994      -1.29790790       0.10311608 
Hf       7.70545004      10.63269995       2.05755001      -1.43500438      -2.07780961       5.33495631 
O       8.70462997       1.57853995       1.54347998      -0.75331596      -0.28738378      -1.39345162 
O       6.14945999       1.13071998       1.03856996       2.42012232       3.22378354       2.04501641 
O       6.01113001       6.20394995       9.69672004       1.27092524       0.92909157      -0.92247925 
O       9.15053002       9.26712004       8.82994999       0.71885245       0.07957987       0.65487926 
O       6.22936003       3.83718996       1.13111004       0.64242382      -0.39121548      -0.04721194 
O       8.98452003       8.46681995       6.56444004      -1.49262952       0.46466527      -1.52299094 
O       6.17322003       3.52453999       3.76928996       1.47698280      -1.01454413       0.94594287 
O       6.48865004       8.79077998       9.19509999       4.82309706       2.30535677       1.57412377 
O       5.89408003       8.33796001       4.15872004       0.56070774       0.69871290      -1.25471793 
O       0.70628896       9.04363996       1.08502000       1.00871046       1.01581042      -0.88195148 
O       1.02222005       0.64731499       9.54618002      -0.73449942      -1.35169875      -1.14560636 
O       1.15086999       3.55829001       3.86185998      -2.07020789      -1.49264262      -0.82216155 
O       3.61886000       1.38400998       9.03728004       0.25503986      -0.67809707      -0.62173038 
O       9.36176000       6.17289997       0.85032597      -0.68943047       1.64638415       2.06836140 
O       9.16944997       3.24733004       6.46759995       0.40736097      -1.60936204      -0.44774932 
O       1.11552000       5.77102002       9.54442002      -0.65015680      -0.07877085      -0.89664087 
O       1.27458002       6.17513995       6.73407998      -1.65811063       1.20714096       0.40826065 
O       6.74966000       6.44446001       1.54051998       0.75659786       1.78964082      -1.83507212 
O       6.16025001       9.52274004       1.48061002      -1.06872836      -2.49043317      -0.57649388 
O       0.88209096       8.67391997       3.53168003       0.71807473       1.27442965       0.75385284 
O       6.17664999       1.02333002       9.05849996       0.59801470      -1.03718753      -0.59430606 
O       3.60590000       0.78533004       3.53210003       1.52674945       1.08963990       1.37696675 
O       8.91249998       9.04698001       3.73259997      -1.54827335      -1.72569151      -0.11817556 
O       3.34806005       8.98962998       4.53187000       0.13845723       0.06951650      -0.50432070 
O       8.97972002       0.64192899       6.75364005       0.09918582      -0.84275772      -0.54346233 
O       9.08329997       4.15577005       9.04862004       0.49284135      -2.56214453       0.10017285 
O       0.88330599       1.08890001       6.62451002       1.14132286      -3.41068358      -1.41179244 
O       3.65046997       8.48892003       7.21159000      -3.37917181       0.56920072      -2.86383469 
O       8.87178999       8.71100001       0.80400601      -0.70607770       2.03092515       0.80354538 
O       6.60990999       6.08710997       3.76172002       0.64924767      -0.63178266       2.75297827 
O       0.88773395       8.72399997       6.33109997       1.52780004       0.65277750       0.85906424 
O       1.38570999       5.97147000       4.05723996       0.49388870      -0.03497256       0.51840364 
O       3.43240999       6.58381004       8.76988001       0.19531090      -0.72151828       0.82084915 
O       1.24514003       3.43929998       6.59346995       0.27362101       0.93562937      -1.78022779 
O       6.67176000       4.24061000       6.29776004      -2.32610215      -1.55428693      -1.56537553 
O       9.46835003       6.20222000       3.90376998      -2.12673479       1.25409227      -3.56461368 
O       6.38821996       3.65524996       9.09624995      -1.10089907      -0.64192831      -0.91331501 
O       9.09928997       3.61157005       3.90170005      -1.27767763       0.42888821      -2.54704152 
O       3.37990996       0.58300105       0.73646197      -0.37930500      -0.78879224       0.74062996 
O       9.05268000       6.47529999       9.00397996      -0.01594027       1.41523727      -1.46169738 
O       1.27213996       8.46101000       9.01730998      -1.09300858       0.99103343      -1.87193861 
O       3.53711004       3.70736995       8.39650002       4.00898230       0.90697408       2.27063309 
O       4.23818996       9.05946002       9.70688998      -4.35679292      -0.72316428      -1.31454207 
O       6.78928005       6.90790996       7.09947002      -1.03849103       0.83914103      -0.51498423 
O       3.61643005       5.81370002       0.56917304      -0.91748869      -0.00665896       1.39225072 
O       1.11848001       6.50268997       1.42103004       0.88549546      -0.56643385       0.14975027 
O       4.07420996       3.06182998       5.96861995       0.67787899      -0.16879139      -0.61875899 
O       3.44252005       3.83641997       3.71101003       1.74653961      -2.81662391       0.01186422 
O       3.35257005       8.30713995       1.55416004       0.72217579       0.53441492       0.74419238 
O       8.72299004       4.04447995       0.76081801      -1.24939368      -2.10827543       3.08913277 
O       3.52645000       0.31440997       6.63613002       1.71959033       1.77964268      -2.32927470 
O       3.84737002       5.97295000       6.14325999       1.19791212      -1.25952884      -0.00122972 
O       9.09998996       1.02096997       3.99270004       0.58506954       0.21624805       0.76495696 
O       6.45404001       1.22923004       6.40939002      -2.63449338      -0.85253385       1.78378226 
O       9.05022001       1.26432997       9.55769997      -0.24378413       1.01242845      -0.01245792 
O       5.92330001       9.13908997       6.42695005       1.74882723       2.07083462       1.31397152 
O       0.45128403       1.05248001       1.31920998       0.58584082       0.15682605       0.10999120 
O       1.22819998       3.01256004       9.00972001      -2.04110880       2.13771292       0.59413277 
O       1.02050000       3.73293005       1.18434001       1.27690972      -1.19112800       0.27595988 
O       9.01484999       5.79140997       6.16393995       0.24367684       1.07813241       0.95718510 
O       3.91417005       3.25400001       0.77607201      -1.54871069      -0.99230375       0.30525522 
O       1.14088001       0.91502102       3.94691003      -0.78900202      -0.71372468       0.90430713 
O       6.63236998       0.60018605       3.92696001      -1.07958776       0.57498723      -1.18156734 
O       3.95319005       5.97215998       3.40628000       1.32763822       3.15832660      -0.73644378 
96
Lattice="10.66153138 0.0 0.0 0.0 10.66153138 0.0 0.0 0.0 10.66153138" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.046818413673110064 0.007053942663547822 0.009538439689857195 0.007053942663547822 0.0511183553403153 -0.012385401673188615 0.009538439689857195 -0.012385401673188615 0.048482715270938004" pbc="T T T" energy=-930.71505 free_energy=-930.71505 config_type=crystal 
Hf      10.06599999      10.15160004      10.21780004      -0.20831105      -0.31206001      -1.17685662 
Hf       5.27295002      10.30949998      10.50099996       0.23708023      -2.37624718       0.23617351 
Hf       9.87896005       7.94822996       7.61029002       2.62283832       1.47924740       0.77500782 
Hf       7.97150003       2.12642996       5.17869003      -0.17491081       0.82241270       1.56172647 
Hf      10.05870004       4.88188995      10.49640004       0.62798924      -2.58380135      -3.65046397 
Hf      10.31000001       7.72262002       2.39329001       0.16738335      -0.37722815       0.58626772 
Hf       2.34003001       4.51497004       2.36606003      -2.31158332       4.87418557       1.05819397 
Hf       7.72284999       4.60935999       2.60249004      -1.92498288      -0.83818191      -1.73477196 
Hf       7.74939997       7.48088003       0.14111997      -5.13201279       2.32822874      -2.96269771 
Hf       5.25099004       7.28337996       8.05512002       3.28137886       3.03983171       2.99094520 
Hf       4.76916995       7.11804999       2.43138004       1.39711978       2.69210849      -0.90309166 
Hf       4.74158996       4.65419003      10.56329997       1.50965264      -1.24291179      -1.95480324 
Hf       2.16107002       7.56974997       4.83355995      -1.73551483       2.16334441       2.02076309 
Hf      10.52199997       4.94602002       5.25587003       0.38962435       0.70725395       2.39969528 
Hf       5.11729998       5.33437995       5.36513004       2.89308090      -2.93189973      -0.08171144 
Hf       2.39873997       5.17443000       7.69091998       2.86705413      -0.72521297      -4.22434047 
Hf       2.33893997       7.30226004      10.33870000      -0.88413864       1.81917753      -1.69633893 
Hf       2.73185003      10.36640004       7.56739004      -0.49705262      -2.19995680      -2.23590506 
Hf       5.13422004       2.42152004       3.06236998       0.39793609      -0.29495843      -0.21233037 
Hf      10.62443789       2.18735997       7.97253004      -2.45498081      -1.01147180       0.59787820 
Hf      10.51660002      10.38930005       4.94921997      -4.46186650      -3.28784196       3.75415600 
Hf       8.19226005       4.82462004       7.73145000      -4.72321046       2.09352262       2.36713519 
Hf       7.47752996      10.49729998       7.74206996       1.97342427      -4.46902205       2.16947599 
Hf       7.35479004       2.22850996      10.63821024       1.61742084       1.97899605       0.57921427 
Hf       7.85320000       7.21654996       4.94198005       0.97700175       3.57747698      -0.72657265 
Hf       2.18681005       2.45555996       4.94155998       0.13055833      -0.48293890       3.62166728 
Hf       4.64741004       2.49533995       7.80806995       4.68026213       0.58161701      -1.90683237 
Hf       4.86895997      10.16610004       4.90273996      -0.54714949       0.17326509       3.35640267 
Hf       2.45178002       1.81141998      10.39480002       0.75396871       0.25895678      -1.13428330 
Hf       2.36759998      10.32080003       2.31404999       1.05646140      -1.82026029      -1.19409560 
Hf      10.41459997       2.41962996       2.44055002      -2.71170658      -1.09130914      -2.63296074 
Hf       7.33594003      10.05979999       2.74490998       2.42042347      -0.69036020       0.51405923 
O       9.45058004       1.41090005       0.71805904       0.07492760      -2.19167682       1.18609657 
O       6.04859999       0.71102297       1.74017995       1.88142484      -0.53457020      -0.11437346 
O       6.89122996       6.32815003       9.16222997      -1.05252767       0.03015892      -0.06264070 
O       9.03179999       9.66357004       6.43839005      -0.21456356      -1.06837556       0.04063813 
O       5.98569002       3.34315004       1.42881995       0.91472424      -0.42788686       1.14589620 
O       9.05776999       8.82816997       3.78980999       0.48208281      -0.80747966      -0.30050988 
O       6.28957000       4.04398005       4.15518004       1.02451374      -1.67838295      -2.35662271 
O       6.50012000       8.93873005       9.56502998      -2.94590717       0.56226477       0.58515331 
O       6.71865996       9.38083998       4.52893004      -0.58351770      -0.56414901      -2.08400056 
O       0.99950300       9.72846998       1.03362001      -0.22573891       0.46736449       0.80853385 
O       0.96363804       0.59851598       9.16708000       1.72449042       1.01899767       1.23031077 
O       1.05129000       3.87459998       3.97753003       1.35904707      -1.55878486      -1.56121551 
O       3.91689001       0.48147305       8.94566996      -0.76060204       0.89740077       1.17537348 
O       1.48138002       6.88697996       1.79768004      -1.28421094       0.42817657      -0.63325169 
O       8.75653002       4.26494999       6.07026998       1.12476148      -2.22405461      -4.18323955 
O       1.48715004       5.60468005       9.12458005      -2.97979317       2.86832704       7.10572602 
O       1.54739995       6.46812997       6.42741998       0.46055647      -0.67158724      -0.69100966 
O       9.37340996       6.56126996       0.43644695       1.49544605       1.13934108       2.37911479 
O       6.30730002       8.59589998       1.34685004      -0.34679326       0.57486633       2.75045942 
O       0.92390699       9.18804996       3.75506001       2.17795153      -0.02477453      -2.87793692 
O       6.45254995       1.01411996       9.51179002      -1.03738008      -3.33851370       0.14300622 
O       3.49706002       0.86379802       3.86055000      -1.19123898       2.23575437      -1.06650833 
O       8.83486999       6.04959002       3.14689001       0.38419036       2.25523615       1.15251860 
O       3.75727996       9.02107001       3.54709000       0.33178402      -1.39468632      -3.33021584 
O       9.48257999       1.51522995       6.23150997       0.56066695       0.36238235      -0.35050048 
O       8.77372003       3.17863003       8.49899998      -0.54435710       0.90812321       1.10003590 
O       1.45685999       1.34213999       6.82848003       2.19395126      -1.48064563      -1.87985721 
O       3.42252003       9.14560000       5.82411995      -1.09524732      -0.58497235       2.14642278 
O       8.62884997       8.78593004       8.95900998       2.40752019      -0.13859215       0.74064324 
O       6.23131998       6.70976995       4.00183001      -2.93483128      -0.99984606      -2.04851570 
O       0.87099999       8.89485998       6.16320996      -0.64977833       1.35787011       0.80005550 
O       0.58757299       6.36056002       4.14480999       0.60235351       2.37657790      -2.02884099 
O       4.00296002       5.84921997       8.95932002       1.57736692      -0.09699584       3.57808190 
O       1.05414004       3.81601998       6.75170996      -2.05607842       0.11632055      -1.91600582 
O       5.99139000       3.93784003       6.95394002      -0.19394170       0.06646370      -0.55075688 
O       9.03393997       3.31245997       3.54238997      -1.06217798       1.80281960       1.12162221 
O       6.10926997       3.36165995       9.53538996      -1.28344287       1.82333708       0.75490088 
O       8.69537004       0.95445099       3.64912000      -0.43633191      -2.22149028      -0.62218819 
O       3.39982003       3.53534003       1.18355003       0.56814085      -0.91527816      -1.95455573 
O       9.56024999       6.16847995       8.46591000      -0.55134386      -1.95042763       0.29078336 
O       0.55584395       8.33430001       9.36809998      -0.72984011       0.69757097       0.30487374 
O       3.46940997       3.41374004       9.15103003      -1.08547166      -1.59848329       2.81189128 
O       3.06430003       8.21085003       8.73293999       1.84357927       1.39900154      -1.74978609 
O       6.81768000       6.33211996       6.40787003      -0.20672269       0.55899250       0.23491684 
O       6.52811004       5.94997997       1.29984005      -0.93551184       0.07813908       0.31110389 
O       3.63700999       8.67199005       0.53561103       0.49475710       0.96581345       1.71368286 
O       3.55573000       3.72792002       6.73793996      -0.41251396      -1.24184141      -3.08428171 
O       3.60115995       3.74839997       3.87891001       0.01474025      -2.09812802      -0.45854437 
O       3.90231005       0.91524001       0.77846397      -2.85148142      -0.25422408       0.83949052 
O       8.75210005       3.61220999       0.81008405      -2.52574597       2.41905726       0.73741313 
O       4.12610998       0.81367102       6.44791997      -0.70289173       1.29816616       0.52365866 
O       4.38131996       6.28969005       6.76512995      -3.87860557       0.87362058      -1.50171813 
O       8.92398003       8.91247997       1.21875004       0.42253756       1.11882389      -0.17200109 
O       6.93882997       1.40826995       7.07500001      -1.47233864       4.03411352      -3.69841151 
O       9.04162001       0.73081002       8.80883005       2.03321243      -0.71938746       1.55073866 
O       5.98175997       9.39483004       7.02381996      -1.74695418      -1.80633591      -0.58200668 
O       1.46313003       1.73944004       1.45049996       0.22255954      -0.33280094       1.62322161 
O       0.33630202       3.52926999       9.38116004       1.92574008      -2.38537582       0.52949024 
O       0.17121001       4.38583001       1.48549004       4.57788803      -1.48280096       3.33851986 
O       9.44697996       6.63218002       5.92742998       0.19976037       0.65918705       0.44619497 
O       3.62918997       6.10345005       1.07648000       1.35666364      -1.74814540       0.66417267 
O       0.37539305       1.51635997       4.28388999       3.63222530       0.55879563      -1.83841869 
O       6.16378003       1.29590999       4.40133998      -0.88137161       0.40814996      -1.09859096 
O       3.57454003       6.23885000       4.02434002       0.55645173       0.32551714      -1.22894282 
96
Lattice="10.66795771 0.0 0.0 0.0 10.66795771 0.0 0.0 0.0 10.66795771" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.061252785938792305 -0.004632243900984028 -0.000356398004181887 -0.004632243900984028 0.0630274501631275 0.010494942818229396 -0.000356398004181887 0.010494942818229396 0.060696764169135484" pbc="T T T" energy=-932.56351833 free_energy=-932.56351833 config_type=crystal 
Hf      10.28529999       9.90133000      10.37479999       2.46345404       1.90995956       0.63110390 
Hf       4.88343004      10.23879996      10.18640002       0.32627999      -1.45353053       1.36602219 
Hf      10.37509997       7.79892997       7.60412996      -0.26730061      -1.86312848      -1.00192869 
Hf       7.68433999       2.66396997       5.09361003       5.80280554      -2.49602236       0.86047399 
Hf      10.16830001       5.19987996      10.48930004       3.46858504      -0.52642614       2.74227968 
Hf      10.19850004       7.78679004       2.76085999      -1.25212768      -3.61250721      -1.38973419 
Hf       2.07114996       4.56201002       2.32503999       1.30925589      -0.40126524       0.96218665 
Hf       7.46707999       4.87291004       2.56593997       1.25644604       0.52903977      -0.80676423 
Hf       7.61932999       7.69082995      10.66199368      -0.10102177      -1.45010342       2.46282080 
Hf       4.97002004       7.43653998       7.55054001       0.91629351      -0.93629373       1.24254743 
Hf       4.98049000       7.66703998       2.52563995      -1.14123821      -0.99363744       0.02594481 
Hf       4.93072995       4.88738998       0.19692495       0.32790329       0.72181619       0.42779414 
Hf       2.17526997       7.71666998       4.91214999       3.53820858      -1.58713303       1.12734233 
Hf      10.66622097       4.95591998       4.95136999      -3.19478608       0.33896266      -0.76835984 
Hf       4.78225000       4.46329002       5.36448004      -0.92398364       2.63163431      -2.25512913 
Hf       2.31322000       4.92556996       8.28046995      -2.67659488      -1.79699197       3.43698153 
Hf       2.00468005       7.68401995      10.31650003       0.78728188      -1.18635295       3.35136672 
Hf       2.37740996      10.29220002       7.76708995      -0.70505363      -2.83926783       1.30521242 
Hf       5.09181003       2.00384005       2.38483997      -3.15673815       4.13729378       0.03605560 
Hf      10.28130004       2.58490995       7.63167004      -0.61358232      -1.65203490      -0.32112058 
Hf      10.00010003      10.41189995       5.04987002      -1.26565849      -0.14178012       2.41799023 
Hf       7.90195001       5.08320995       7.83962001      -3.77745200       0.43946358       1.62610572 
Hf       7.54763001      10.11719996       7.91799003       0.87759980      -1.87500866       1.24329684 
Hf       8.23887995       2.35295004      10.23840002      -2.54809889       0.49583827       3.48959821 
Hf       7.69155996       7.38831995       5.22186001       0.63358667      -1.11391659      -2.19620041 
Hf       2.54854000       1.65023001       5.30245995       1.38637599       2.01497676      -1.64335222 
Hf       5.38292995       2.24423000       7.86816000      -1.66559675       4.51247536      -0.74621229 
Hf       5.33035996      10.14719997       4.92544995      -1.10739889       0.64633048      -0.99789033 
Hf       2.67368997       2.13742998      10.21499996      -2.63569975       0.63653581       2.79906285 
Hf       1.85697001      10.30000001       2.45974995       2.15587652       1.82666010       0.08465569 
Hf      10.36470000       2.05636001       2.54686001       0.31672930       4.60719847       0.58509393 
Hf       8.17402005      10.40760001       2.12873997      -3.85627013      -1.39767134      -0.53217422 
O      10.09710004       0.20353301       1.65149000      -0.39562568       1.57399610      -1.26356412 
O       7.36830996       0.67813401       0.49910499       1.17912929       0.65730535      -0.20965177 
O       6.02618999       5.85958998       9.07964005      -1.85269916       1.65631531      -0.30340702 
O       8.71348000       9.04854999       6.28694005       1.04060728      -0.02079833       1.96990340 
O       6.14395005       3.55905995       1.40956995      -1.67945420       1.03294082       0.12864034 
O       8.98967002       9.29031995       3.83099003      -0.30166330      -2.30022330      -1.52873216 
O       6.53726005       3.49036001       3.99002005      -4.93683705       1.71881594      -2.44311248 
O       6.35443003       8.79212003       9.10347003       0.06541834       0.46015307       0.56214672 
O       6.13460001       8.60402004       3.95056002       1.69454109       0.24221449       2.16746057 
O       1.04790004       9.21776002       1.07861000       1.44734407      -0.83691943      -1.02151346 
O       1.25637999       0.45080602       9.97783995       1.32457034       0.96852259      -1.60296501 
O       0.96903802       3.45766005       4.01366003       1.52260253       0.54087167       0.06912190 
O       3.76698004       0.72013995       8.97720995      -0.46263940       1.41640009      -0.62691659 
O       0.46438804       6.92180003       0.89190399       1.23434762      -1.79645694      -1.80374594 
O       8.47568003       3.90198998       6.37591999       2.14385750      -1.09825149       1.54492501 
O       0.60503696       6.13525001       8.77090999       0.36922546       0.56619062       0.67502607 
O       0.74401996       6.85575001       6.05677001      -0.12686304      -0.89508720       0.11704402 
O       8.68486001       6.30862001       1.65096001       0.32997113      -0.39788044      -0.15690800 
O       6.41913002       9.01734003       1.47672997       0.76316683      -1.11433784      -1.88622133 
O       0.94222400       8.94579996       3.80274000      -0.49576068       0.10919201      -0.01956274 
O       6.20250999       0.78972501       8.90171004       1.70678166      -1.63183029      -1.10034375 
O       3.50584999       1.06528999       3.63479999       0.59531206      -0.87470240       1.03208370 
O       9.02361002       6.26708005       4.10545002       0.49002771       1.65465869       1.01744824 
O       3.68185998       8.90042999       4.22687997       0.40122458       2.85953841      -0.76681753 
O       9.22672004       1.36055996       6.16605001       0.95863608      -0.86665131       1.18846923 
O       9.24481001       3.83033000       8.99423003       0.57321780      -1.13398880       0.11718994 
O       1.32518000       1.40019004       7.07333997       0.76831364      -0.56029384      -0.32564370 
O       3.22666004       8.22480999       6.93822004       0.31950805       0.06794872      -1.25768175 
O       9.03590004       8.76363999       9.28081000      -1.49482579       0.36845195      -2.35533208 
O       6.52080003       5.90480004       4.03559996      -0.71023410       1.03403642      -0.23898348 
O       0.68477802       9.33485003       6.83970999      -0.04720244       2.58521998      -2.88891660 
O       0.66818998       6.23357999       3.38672005       3.01854600      -1.57878753       1.05479151 
O       2.81548004       5.69737003      10.20589998       1.08206657       1.66453873      -1.90208304 
O       0.57356104       4.06760000       6.98750003       1.67114016       1.23689935      -1.50644817 
O       6.13779997       4.00188004       7.04651997      -0.79947637      -1.78196711      -0.89888458 
O       9.26070996       3.52168998       3.96131001       0.05675941       0.88754305       0.47096993 
O       6.71773000       3.44044004       9.55191001      -0.04878670      -2.05864633      -1.04149551 
O       8.61221996       1.05405002       3.44969002       1.69522877       1.79614943       2.60923655 
O       3.32455999       3.52205995       1.10537004       0.52146629       0.26193187      -1.20111226 
O       8.71430005       6.20749001       9.80309998      -2.00516951       0.63470538      -2.42763636 
O       1.02170999       8.68239998       8.96748002      -1.10663381       0.56292382       1.33696798 
O       3.83691000       3.47674001       8.98669003       0.22043223      -1.11659696       0.10859672 
O       3.54034003       8.86294001       9.18795001       1.54115578       0.67660719       1.66737959 
O       6.70657003       6.47052003       6.59362997      -3.95398234       1.27275541       1.45081772 
O       6.34058003       6.28616001       0.96728901      -1.68391951      -0.17206236       0.71419577 
O       3.64809003       8.69741001       1.41492003      -0.47752887       1.02134332      -1.00977181 
O       4.02106999       2.79400000       6.22686003      -0.82537699      -0.79212331       0.48792880 
O       3.50024995       3.84764997       3.86669003       0.90885627      -0.53234106       0.58995675 
O       4.11945001       1.13189997       0.89769104       0.96204188      -2.26851640      -2.59450205 
O       8.74234003       3.34524996       1.60421004      -1.00170933      -1.99703214      -3.45593679 
O       3.73109005       0.15527404       6.28356001      -1.39244034       0.51301393      -0.15417357 
O       3.58289003       5.50781003       7.04107996       2.57378567       1.19271558      -1.40699690 
O       9.32166998       8.61943001       1.17750005      -3.37447693       1.86805541      -1.97031428 
O       6.36843002       1.34931999       5.62222003      -2.16523417      -2.99548525       2.62352626 
O       9.32425003       0.86329104       9.26705996      -0.54027564       0.86687146      -1.34861441 
O       6.33868999       9.29859999       6.64527003      -2.95479920      -0.33660903      -1.29437108 
O       1.68365005       1.58298997       1.87045996      -1.16854259      -1.12513266      -0.48953882 
O       1.11635996       3.55872999       9.89277003       1.34358758      -1.10403121      -3.39035920 
O       0.31158096       3.85216998       1.32794001       1.73821272       1.31784183       2.03237628 
O       8.97067998       6.21753997       6.66876002       2.35803006       2.72973554       1.01965956 
O       3.83008997       5.99078005       2.02674000       0.10981722      -0.95476134      -1.79681771 
O       0.67865098       0.76332897       4.08464995       1.84485620       0.67341666       0.16564497 
O       6.24734998       0.75644600       2.94588003       1.25654895      -3.65569216       1.82180909 
O       3.73188001       6.51717005       4.46191001      -0.50625795      -0.81772692       1.38068990 
96
Lattice="10.67440298 0.0 0.0 0.0 10.67440298 0.0 0.0 0.0 10.67440298" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.06656431120980193 -0.012540524127712949 0.0025452213301950587 -0.012540524127712949 0.06396167457419935 0.007080798997263711 0.0025452213301950587 0.007080798997263711 0.03987727698092248" pbc="T T T" energy=-934.7527292 free_energy=-934.7527292 config_type=crystal 
Hf       9.87914000      10.35350000      10.34690002       2.19877558       1.08312504       1.40578191 
Hf       4.88610997      10.15939997      10.30269999       1.25708431       0.44416482       0.63464537 
Hf       0.12806103       7.62785995       7.59339998      -1.96041321      -3.41743236       0.84891940 
Hf       7.44014000       2.10300000       5.23892995      -0.76823094       1.22860856       2.45137319 
Hf      10.14589995       4.66087996      10.16879996       2.48223664       2.33872527       0.61946085 
Hf      10.04670005       7.44599000       2.38636996       2.73952794      -0.99911034       1.85225432 
Hf       2.15563003       5.18634997       2.77630995       0.05733901       1.86475380      -1.60426373 
Hf       7.85053995       4.48080001       2.56168998      -1.15985085       2.52524657      -0.86357870 
Hf       7.96131004       7.44547998      10.38399998      -3.35224342      -0.55026850       1.89109811 
Hf       4.87766001       7.55381001       7.80421998       0.22471480      -0.93424419       1.42538048 
Hf       5.16156999       7.78074995       2.44961996      -0.68435644      -2.87004826      -4.25287717 
Hf       5.19766996       4.84266003       0.05622518      -2.13859458       3.61213482      -2.07156803 
Hf       2.50983000       8.00483001       4.73949000      -1.77634273       1.77119992       1.03093148 
Hf      10.31000000       4.93230004       5.26393997       0.75525219      -0.24058202       1.89790243 
Hf       4.72919999       5.11880000       5.03446998       1.09938796      -1.68422764       1.20716715 
Hf       2.10992000       4.58089997       7.76567001      -2.11802783      -0.19327149       2.01047652 
Hf       2.27581004       7.79096995      10.56190000       2.26200547      -8.70881615       4.98617819 
Hf       2.21414999      10.40749999       7.85499000       0.41704767       0.28239459      -0.14648633 
Hf       4.88349997       2.48565002       2.58388996      -0.17264421      -0.73516754      -0.92955885 
Hf      10.29189995       1.92512004       7.81536000       3.23159555       3.12037504      -0.31667453 
Hf      10.29610000      10.50560000       5.30979005       2.45039665       0.65880985      -4.25590932 
Hf       7.59801997       5.06807001       7.87013997       0.64577275       0.36639765      -2.08856982 
Hf       7.97213004       9.85858003       7.84588996      -4.19637111       0.65181379      -1.89270216 
Hf       7.38454003       2.00014999      10.48829999      -1.81825419       0.10865389      -0.62124639 
Hf       7.61745998       7.32915002       5.07024001      -0.30914335      -0.11078225       0.24067530 
Hf       2.70594002       2.28270998       4.95020998      -4.02789025       1.53493826       1.81776606 
Hf       4.87833997       2.26388001       7.85937995       1.47865477       2.07281295       2.27316062 
Hf       5.09198003      10.19650003       5.04770997       3.67267263       1.32176617      -1.15700641 
Hf       2.26565997       2.05598000       0.33951198       0.21484384       2.53390986      -0.29954666 
Hf       2.09484998      10.39550004       2.52223002      -0.57254880      -2.33461028      -0.62756258 
Hf      10.39150003       2.24328001       2.27433996      -1.98565293      -2.54185867       2.59952053 
Hf       7.74765002      10.19629999       2.49776995       2.42058633      -0.23673128       3.31989707 
O       8.61023998       0.57728602       1.09651001      -0.26653276       2.35647658      -3.04743437 
O       5.73766004       1.09992998       0.79759299       1.89454720       0.62295262      -1.06863657 
O       6.32385001       6.40193999       8.79959002       1.90781605      -1.61934453       0.79342590 
O       9.20882005       9.26096995       6.19943002      -1.64999585      -0.91196752       2.61857185 
O       6.47740001       3.46968000       1.12976995       0.40160459       0.75890261       2.06080327 
O       8.90783999       8.82039005       3.66245000      -1.74777598      -0.97366201      -0.99543420 
O       9.17069001       3.55663998       3.72889997      -0.04558871      -1.06177726      -1.97862521 
O       6.91518002       8.88501000       9.49902995       0.61129276       0.97239703      -0.49140370 
O       5.85151002       8.57261004       4.05585000       2.23168555       1.84937952       3.86030289 
O       1.44686003       8.74181001       1.34863001      -1.86545077       1.19285801       0.79431477 
O       0.59010299       0.48699903       8.97560996       1.09794618      -0.53676177      -0.53017060 
O       3.46387995       3.58616997       3.66586997       3.00364783       0.54557616      -2.03444748 
O       3.22525005       1.22909004       9.59542002       2.14232093      -3.52513123      -1.90038557 
O       0.97605599       5.99651997       1.28330000      -0.99250419      -0.44977747      -0.79641271 
O       8.56817995       4.29103997       5.97138997      -1.68006135      -2.10522728       1.44066437 
O       0.73942198       5.84957998       9.10106995       1.29550121       0.38325336       0.19957824 
O       0.90359504       6.05614004       6.70870995      -0.51193221      -0.93530430      -2.29893199 
O       9.01272998       5.75443999       1.34364005      -0.29427372       1.77490086       0.50537528 
O       6.42337003       9.24948002       1.55912999      -2.02300224      -1.22277975      -1.42319135 
O       1.07536999       9.46656002       3.86048003      -1.13371259       0.29703379       3.02282491 
O       6.30549003       0.60301805       8.71122005      -0.67004881       1.34181998       1.95432442 
O       4.29231001       1.28548996       4.27002997       0.75590013      -0.24478030      -1.47549520 
O       9.28197995       6.40210000       4.22731005       0.77722303      -0.72480749      -2.65779407 
O       3.71448003       9.07304997       3.06679995      -1.82971535       0.63174118       1.43015304 
O       9.07062005       1.33914004       6.42221004      -0.49068733      -0.47363463      -1.92546680 
O       9.25483003       3.69420998       8.72933995      -0.78759714      -0.03394952      -0.59328664 
O       0.98207902       0.92530603       6.47410995       0.33731183      -2.73997865       0.37062633 
O       3.36099002       9.82679998       5.51152004      -1.84254964      -1.08213919       2.33182875 
O       9.59257999       9.04023002       8.87076000      -0.91905997      -0.77806004      -0.02997937 
O       6.57172000       6.29219005       3.50548995       0.76812502      -0.88025811       0.94587928 
O       1.18544999       8.68848005       6.43168005       0.32509616       2.42001476       0.05543329 
O       1.23433000       7.09222001       3.43211998      -1.42990003      -1.52874284       0.89261389 
O       3.80573998       6.38947005       9.64317004       0.52055450       0.09823884      -0.72164511 
O       0.69227901       3.25280004       6.59997002       0.16101279       2.16950732       1.77425168 
O       5.92231996       3.23313000       6.44447001       1.09270000      -1.25582564      -0.00693682 
O       1.35376002       4.06816004       4.31948000      -2.54233602       2.18409060       0.87904946 
O       6.44329999       3.57355998       9.14075995       0.69730019      -0.04552901       1.46746542 
O       9.52525002       0.56885399       3.47762004       0.29527514       1.62040638       1.18665240 
O       3.78229003       3.63626003       0.77015700       0.21759157      -1.51077319       1.56176175 
O       9.10288001       6.35153002       9.26257997      -1.64180476      -1.37654492       0.45249295 
O       1.75425999       8.82205995       9.24137004      -3.22682374       4.06228526      -6.67924875 
O       3.68413996       3.73367997       8.66227001       1.97205760      -0.74330465       0.13525487 
O       4.13797000       9.40514996       8.60176002       0.05982510       0.29972321      -1.55399876 
O       6.05916004       6.04988003       6.25022000      -0.29874214      -1.24386969      -0.49013067 
O       6.32675996       6.47875000       1.02678000       1.01553423      -0.67138076      -2.58412803 
O       3.87780000       8.62355000       0.51238095       3.17857733       2.92295196      -0.16249021 
O       3.29243997       4.28857995       6.27977999       1.77919633      -0.11981591      -3.07691126 
O       5.99519998       3.68234997       3.98346997       1.56728323      -0.70961794      -2.04336372 
O       3.44988005       0.93243397       1.66501003       0.26899547       1.48357836      -0.02213960 
O       9.00746996       3.34480998       0.87201397       0.50832786      -1.81668883       0.45193096 
O       3.55785003       1.49895998       6.75355002      -1.43913998      -1.69894036      -0.27455945 
O       3.25981995       7.23599002       6.81847996       1.34564366      -0.02312864      -1.19675673 
O       9.14726994       8.81073004       1.03679996       0.07334251      -1.55683655      -1.50852564 
O       6.77513996       0.40155802       6.22818996      -1.08728648      -0.12895913      -0.39414928 
O       8.91009997       1.06390995       8.98629002      -2.51709855      -2.00944987       3.20291276 
O       6.61535995       8.25894004       6.69883997       0.17698718       3.07278771       1.11166520 
O       0.67822904       0.52048400       1.04195996      -0.02941267       2.43171599      -0.22833273 
O       1.34917996       3.13868000       9.54407999      -2.59311644       0.99397511       0.35672170 
O       1.28976004       3.19841001       2.10518003       0.72693638       1.67829927      -3.85823343 
O       8.97086999       6.53456998       6.63159998      -0.34750979       1.27535068       1.29301751 
O       3.80654003       6.30904995       1.81931002       0.12090720      -1.52828240       0.00862174 
O       1.38166996       1.49649995       3.61834999       0.47949031      -1.84666050       0.90589039 
O       6.79438004       0.89289897       3.80230005      -0.42111501      -0.10602532      -2.19253865 
O       3.39009005       6.34270997       4.20488996       1.94988792      -1.18317981       0.79173716 
96
Lattice="10.68087531 0.0 0.0 0.0 10.68087531 0.0 0.0 0.0 10.68087531" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.05023442451045907 -0.005172163500839421 0.005189473134271815 -0.005172163500839421 0.039709395433714725 -0.014411906540285475 0.005189473134271815 -0.014411906540285475 0.03461784750816407" pbc="T T T" energy=-928.73792123 free_energy=-928.73792123 config_type=crystal 
Hf      10.48700001      10.45340001       0.02698961      -2.79521631      -1.06080632      -0.31692151 
Hf       4.91959002      10.16759997      10.18570000      -1.12469427       2.66390043       0.80810546 
Hf      10.25939996       7.77019003       7.51896004      -1.16713865       1.65620218       0.33398039 
Hf       8.25659005       1.69468001       5.10042995       0.33167265       0.75946533      -3.57277888 
Hf      10.08849997       5.15126002      10.35909995      -1.58775444      -3.15904516       0.87188785 
Hf      10.47150003       7.59873005       2.54080998      -0.25912321       0.65247427      -0.61866449 
Hf       1.78459002       4.60356001       2.86949000       4.56979110       4.63367292      -0.20071059 
Hf       7.77435002       5.24576003       2.50813996      -4.51329625      -3.37939376       0.26623014 
Hf       7.30303995       7.56948998      10.21600004       2.78890798       0.06774726       0.13791929 
Hf       4.77022001       7.70075996       7.83622999       1.34336047      -0.25619955       1.74026329 
Hf       4.60600999       7.30592998       2.41585004       0.07614577      -2.40040534      -0.50340878 
Hf       4.73321003       5.02943001      10.52100002       3.56171380       3.37744260       3.96640988 
Hf       2.41630003       7.40880999       5.64825995      -2.72115286      -0.98380300      -5.31139480 
Hf      10.41070001       4.89726005       5.40425001      -1.03258568      -0.08196115      -1.89890590 
Hf       4.74951000       4.57352998       4.84382000      -0.03450009       2.11463352      -0.74021665 
Hf       2.68958005       4.75600002       7.71948001      -1.46363833      -0.59372285      -0.49746689 
Hf       2.12410001       7.43249995      10.58227951      -0.74063964       0.91655910      -0.78822922 
Hf       2.16467004      10.61718226       8.09470995       0.43082550      -0.17658385       0.37059144 
Hf       5.60145005       2.06777004       2.37707996      -0.42080947      -0.17867674      -0.40145319 
Hf      10.33500005       2.32105001       7.87923995      -0.65903917      -1.24059791       1.61568107 
Hf      10.53099999      10.15369999       5.00512001       1.20721556       1.43137379      -1.40601162 
Hf       7.59264003       4.97297004       7.44592998       0.39967859       1.19995236      -0.41940709 
Hf       7.72850001      10.43840000       7.90115999       0.86796569      -3.01480053      -0.99153145 
Hf       7.75577000       2.27940005      10.28200005      -0.68253328       0.19577741       3.23098904 
Hf       6.84551996       7.71479004       4.98092003       2.94452931      -4.00238039      -0.67425560 
Hf       2.16480002       2.12659998       5.43422001       2.28100714      -1.54089884      -2.49720640 
Hf       5.48451999       2.35948002       7.44031002      -0.74317210       0.55421529       0.98842258 
Hf       4.73329003       9.86936003       5.11220999      -3.02711077       3.56213705      -2.74168002 
Hf       2.60959001       2.83285000      10.58542791       4.01591600      -5.83652485       1.60505093 
Hf       2.49930004      10.28330002       2.45764997      -0.33352629       1.86589484       1.20766449 
Hf      10.25499997       1.99318997       2.40843997      -2.09201977      -3.72790034      -1.04846516 
Hf       7.64783003       9.54784998       2.69254004      -0.56357751       2.51246708      -2.24490189 
O       9.03902002       1.04224003       1.04262999       0.76221862      -2.07023843      -2.32429630 
O       6.63495002       1.05217997       1.11211997      -0.82094926      -0.36069087      -0.80704961 
O       5.76069998       6.69307001       9.58525996      -2.97895957       0.32058438      -2.15207573 
O       8.70149998       8.76786998       6.57661995       1.35529206      -1.03383793       0.30570028 
O       6.42858002       3.76909003       0.64776999       0.80061834      -2.11395363      -1.16977977 
O       8.50931002       8.23780004       3.90327002      -0.63723494      -0.64788473       0.61637737 
O       9.86512997       2.99304999       3.99424000      -1.51200594       0.82872007       2.54024341 
O       6.01269002       9.33634996       8.70097000       0.00953923      -2.42281788      -0.01255228 
O       5.63803995       8.63938995       3.42504996       4.05646359       2.47852185       3.49518611 
O       0.90614303       8.84282997       0.71811498       0.46050631      -2.14225048       0.33634832 
O       0.82822498       0.94383103       9.32014995       1.95459806       0.97162775      -1.86400636 
O       3.94413996       3.66039995       3.36598002       1.04032825      -1.98734992       1.94546084 
O       3.95553005       1.13309999       9.28163002      -1.55977891      -1.86322987      -1.76586810 
O       1.15472000       6.01506000       1.41936998      -2.09632399       0.93783080      -0.52794251 
O       9.29893004       3.19558000       6.42348001      -0.50453614       1.58731986      -0.58065734 
O       0.43996597       6.52498005       9.51108000       0.45862574       1.51354814      -1.01502190 
O       1.17698002       6.02110997       6.76048000      -0.74052657       0.22631241       0.15910491 
O       8.78072004       6.39188000       1.38797996       2.39565812       0.55309688      -3.52384977 
O       6.52660002       8.34506999       1.12152000      -0.78633976       2.69669294       0.35079336 
O       1.07499998       0.89164898       3.80981001       0.40411639       1.62885477       1.31286501 
O       6.63290004       0.79068298       9.25949999      -1.02145670       2.29771806      -0.20559177 
O       3.81200002       0.67339298       3.83696005       0.03297583      -0.71322976      -1.42204319 
O       9.18770998       5.67734995       3.82457002       0.60179596      -0.74744323       1.31743900 
O       3.38581002       8.70939999       4.07904999      -1.06443568      -0.35515654      -0.83764033 
O       9.25121996       0.55908305       6.39071002       0.31104011       0.55844234      -0.74882615 
O       9.47874995       3.73362002       9.00219995      -0.38012148      -0.77418383      -0.51750464 
O       1.08638996       0.72622102       6.19852999       0.29378182      -0.72661494       3.39297132 
O       3.58935002       8.73378005       6.38929000       0.02068820       0.42027291       3.41938889 
O       8.64176997       8.94965997       9.19292001       0.10082133      -1.16010860       0.14688712 
O       5.98099004       6.13172005       3.67422004       1.12603528      -0.24149282       3.41318525 
O       0.87110997       8.89229000       6.19392002      -0.15947420      -3.40675635       0.65305162 
O       0.85669603       9.29100003       3.37973004      -1.14309702      -2.07228300      -0.89386507 
O       3.27995005       6.18199002       8.87970996       0.05270523       1.41340941       1.73518651 
O       1.39558998       3.07082001       7.12599002       0.06159948       0.35432205       0.50973791 
O       6.49210998       3.94707005       5.92374995      -1.43420166      -0.22056033       0.28826943 
O       0.84369900       6.77874996       4.08611005      -0.52874714      -1.26708403       1.19248363 
O       6.84730996       3.56462999       8.54008995      -0.43066040      -3.10820883       0.00057581 
O       9.08877004       0.11876396       3.71905996       1.27995902       1.45467333       0.63610831 
O       3.57350003       3.93434998       1.09636002      -1.45077519       2.51308240      -0.57742153 
O       8.03297001       5.82775003       9.17222998       2.27263668       1.40856609       1.96962101 
O       0.96335397       9.21662001       8.64976001      -0.67267706      -1.35354685       0.21571562 
O       4.50846999       3.66560997       9.24352001      -3.27626196      -1.98697788      -2.82320898 
O       3.62439995       8.93369004       9.14550995      -1.27021975       0.56169098       0.33040181 
O       6.27120000       6.72017999       6.96000003       2.01946079      -3.64857130      -0.80183139 
O       5.90727000       5.99201003       1.34377000       0.58167604       0.00813409       0.88004571 
O       3.61665995       9.14801002       1.11441999       0.50195307       0.69395869       0.53123214 
O       3.88651002       3.57938999       6.59302000       1.10879371      -1.98663357      -1.20581803 
O       7.08970004       3.28307998       3.19100998      -0.59949253       0.16644515       0.34789220 
O       3.79310000       1.47025998       1.06098005       0.26289380      -1.54163886       1.58551283 
O       9.56017005       3.27500000       0.88805401      -0.87023030       3.35304843      -0.42843856 
O       3.98579997       0.79344997       6.32528005      -0.55569805       0.74698728       1.52402833 
O       3.64574002       5.95414996       6.40392002       1.44662216       1.30936590      -1.25610547 
O       9.10229000       8.96905997       1.52882001       1.87331369       0.30542815      -0.60028165 
O       6.80647003       1.27137001       6.32061998      -1.89642084      -0.50857365       2.89377117 
O       9.05026997       0.79061505       8.78398005       1.62530037       3.13013326       2.01501878 
O       5.98673998       8.74798999       6.23422003      -0.83961282       4.22117580       0.41145423 
O       1.00266995       0.62199202       1.21557002       1.20569158       0.62540377       1.19005501 
O       1.18350998       3.70699003       9.79042003      -1.58002126       3.05177891      -1.31341616 
O       1.06802003       3.05422001       2.25212002       3.17653317      -0.12809866      -2.93711747 
O       9.24908005       5.99040000       6.67375001       0.71467078       0.30718192      -0.13800044 
O       3.60406004       6.65628998       0.88001195      -1.09294779      -0.89682775      -2.03037624 
O       1.67277001       4.01798999       4.77644995      -1.52599423       0.12392214       0.96316313 
O       6.83116999       0.50292098       3.77953998      -2.25766542       0.54991188       0.44404789 
O       3.20530003       5.98069995       3.54574000       2.46075229       1.63786684       1.14167673 
96
Lattice="10.68730789 0.0 0.0 0.0 10.68730789 0.0 0.0 0.0 10.68730789" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.06596538477588551 -0.003484303876068643 0.005066575042111612 -0.003484303876068643 0.040166930071583784 0.0012273566687161586 0.005066575042111612 0.0012273566687161586 0.04114410673218082" pbc="T T T" energy=-930.89088897 free_energy=-930.89088897 config_type=crystal 
Hf      10.07450001      10.31170000       9.76260001      -0.24650504      -3.02829441       3.70844481 
Hf       5.14123003      10.14999996      10.38529996      -1.27993770      -0.49946734       2.16003032 
Hf      10.09859999       7.28921005       7.93361999       3.09420386       2.14716786      -0.90092565 
Hf       7.84425005       2.01304005       5.21897004      -0.25695666       2.60500638       1.51204548 
Hf      10.19439995       4.61757000      10.61053572       2.37412215       3.33741426       1.68120879 
Hf      10.15359998       7.48129999       2.26968004       2.84804478       0.86266630       2.47299116 
Hf       2.64176999       4.87246999       2.67493003      -3.01028700      -0.92289574       0.15447426 
Hf       7.61421002       4.42948995       2.82317999       1.15494043       5.55158697       0.22224299 
Hf       7.46899996       7.57672001      10.41420004      -1.15116544      -1.22093002       0.36619952 
Hf       4.66685003       7.40079004       8.03781996       1.20475906       1.07065331      -1.91948014 
Hf       5.00933005       7.69255996       2.40922999       2.63155288       0.87900662      -1.19335969 
Hf       5.08038002       4.76156000      10.63257990       2.22638327      -0.48742511       0.90607931 
Hf       2.39757996       7.95877000       4.74428001      -3.12850242      -1.19680413       2.38793660 
Hf      10.21430004       5.21335001       5.33450005       3.78853902      -0.00908347      -3.74502980 
Hf       4.77848997       4.88410997       5.20616996       1.18124307       0.76139371       0.22438845 
Hf       2.36911005       4.95987005       7.90985996      -1.89328942      -0.62435112      -1.76737125 
Hf       2.13573996       7.21021001      10.60163907      -2.61005674       2.44270220       2.61771250 
Hf       2.45392997      10.05089997       7.89378005       0.03719182      -0.18073937      -0.77318793 
Hf       5.22284002       1.96019003       2.77494998      -0.94186114      -0.18572572      -2.93367061 
Hf      10.32760004       2.13068999       7.69385996      -1.26837302       2.37448616       0.28881795 
Hf      10.55640002       0.05221135       5.20115002      -1.71675040      -8.04198000      -6.01203569 
Hf       7.33029004       5.15016996       7.48606001      -1.11579207      -1.56096098       0.18502613 
Hf       7.48839005       9.98992995       7.57747999      -0.01612332       1.68682360      -0.11294999 
Hf       7.43521001       2.17498995      10.63985817      -2.48119622      -1.14893701      -2.09213343 
Hf       7.81369995       7.99719002       5.10063001      -0.63981102      -0.05895772      -1.52157586 
Hf       2.28517001       2.33338002       5.24527001       0.37373380       2.17063030      -0.79437474 
Hf       4.96358998       2.06973996       7.86404005       2.44620938       0.63052723       1.06849748 
Hf       4.79869999      10.54369997       5.04593002       2.49111531      -4.07710653       3.88271772 
Hf       2.72594996       2.38532002      10.54420003      -0.81455029      -1.43380211       2.38517406 
Hf       2.19732001      10.47649999       2.16789999       0.86014097      -2.99104351      -2.65343598 
Hf       0.01846713       2.23416996       2.17779997       0.49236214       1.71283355       1.95037887 
Hf       8.05241005      10.43630001       2.44323005      -1.39803323      -1.35726558       2.46123760 
O       9.44664995       9.47648004       1.49347999       0.39302265      -1.35774886      -0.81522339 
O       6.11607998       0.59633500       1.32560996       0.60615283       0.79594306       0.61268914 
O       6.32930000       6.35788000       8.90095003      -0.89537173       0.38939220       2.00230864 
O       8.69878998       8.52488001       6.92397002       0.87538908      -0.64404617      -1.26614331 
O       6.54234999       3.54793998       1.21516005      -0.42589867      -0.50638550      -0.72731247 
O       9.40489004       8.91863004       4.17495996      -1.12008723       0.12820955       0.34925808 
O       8.87218001       3.70778000       4.90744004      -0.12755760      -1.33250806      -3.21194701 
O       6.22375995       9.12298002       8.77888996      -1.51181328      -1.66280588       1.02801533 
O       6.76673995       8.96073996       3.11442003       0.83175293      -1.88197686       1.40969614 
O       1.17474001       8.67156000       0.95504797      -0.17926138      -0.40175626       1.49440924 
O       0.69749497       0.71350904       8.69750996      -1.61917048      -1.07952482      -0.77228120 
O       3.65067996       3.49367005       4.15108996       0.58326274       1.58225373      -0.03654806 
O       3.46019003       0.94868795       8.82915002      -1.36079896       0.37864738       1.24878937 
O       0.85603402       5.88882004       1.56303000       0.30634175       0.99554599       0.06334966 
O       8.26207997       3.42321002       7.03915003       1.76376436      -2.51653070       2.29481487 
O       0.95631997       5.83581003       9.70994995       0.43810795      -0.99005596      -1.43370000 
O       1.11359002       6.54530000       6.70356995      -1.80491986       0.17768657       2.61777959 
O       9.21503996       3.83596005       1.88570996       2.16942977      -1.15582156      -1.20129629 
O       6.10048997       8.54043998       0.87443404       1.08869430       0.93561406      -3.20281787 
O       1.17604996       1.03664001       3.65002996       0.39860933       0.16829036      -0.66136791 
O       5.78888997       1.19873003       9.49596995       0.05968015      -3.16447896       2.65829062 
O       3.97642002       1.13273002       4.06808998      -1.49144727       2.58524244      -2.77898326 
O       8.96614998       6.01873004       3.74710000      -0.96131574       1.19740798      -1.00973419 
O       4.25186005       9.17174995       3.65933999      -1.61731517      -2.03617923       1.64192671 
O       8.98629000       0.88516495       6.48773004       0.09311696      -1.76560560      -0.88622484 
O       9.21028998       3.09277000      10.10559997      -0.68896352      -1.57916479      -2.00169495 
O       0.59032702       1.37506997       6.06661997       3.50705502       6.97161961       4.26900180 
O       3.72294999       9.03098998       6.52227997       0.63392689      -1.68115270       0.70405907 
O       8.95869996       8.65249000       9.35318998      -0.79820607       0.00565077       0.34244199 
O       5.84205003       5.91434005       3.47662999      -0.57359780       0.23549127       1.14514500 
O       1.14241005       9.51341004       6.28479997      -0.53236166       0.11430223       0.36655573 
O       1.43468997       9.22069002       3.69094001       0.58999945       0.01632007      -0.67480373 
O       3.39920996       6.51707001       9.24639000       1.57910674      -1.42461612      -1.78349070 
O       1.22826996       4.13679996       5.90111996       0.63776443      -1.45329603       0.84597432 
O       5.87780998       3.93974000       6.64949997       0.65948948       0.82694160      -1.32010974 
O       0.76983703       6.63801999       4.22850999      -0.13034125       1.21505749      -0.80343983 
O       6.06622005       3.26809999       9.28027005      -0.02354373       4.96595199       0.94918096 
O       9.38612997       1.12932002       3.51436004      -1.49899986      -0.13116997       1.61782975 
O       3.83674001       3.38960004       1.59025004       0.03439245       2.86105385      -2.28204264 
O       9.23104997       5.95219000       8.86400999      -2.37722594      -2.86358767       3.07048821 
O       0.72984203       8.50133000       9.15263997       0.35042035       1.53009663      -1.63899095 
O       3.40778000       3.96668004       9.43646003       0.43424496      -0.46278745       2.00366385 
O       3.60168998       9.02889003       9.43607005      -0.24835470      -0.64498797      -2.76968670 
O       6.34425005       6.67986005       6.39125005      -0.24910648       0.36543591      -0.75733399 
O       6.21756997       6.12133995       0.95468695       0.42816698      -0.83017098      -1.61827163 
O       3.73031996       9.41987002       1.16010000       0.30669085      -0.97296017       0.51020417 
O       3.71284995       3.19691995       7.03180005      -5.01150204       2.34025037      -2.54965702 
O       6.44655003       3.34418005       3.75418002      -1.46155679      -1.56816799       2.70956443 
O       3.63204995       1.04850004       1.65356999      -0.40041255       2.14133907      -1.57716163 
O       8.51737004       1.02755003       1.09262002       2.68996008       2.03827299      -1.40595072 
O       3.19993997       0.75014802       6.14238005       0.07884158      -0.87535020       2.18725103 
O       3.77708003       5.92501004       6.75063001       0.84587393       0.66656066       0.59647397 
O       8.91129000       6.89256997       0.94913105      -0.72924154      -1.47859702      -1.30794087 
O       6.31110005       0.98261300       6.89330002      -0.37568720       0.44268127      -1.58426846 
O       8.08453001       0.38436903       9.17914001       3.91466159       1.26722790       0.59062558 
O       6.72328996       9.61548997       5.72768002      -0.07793719      -1.74703809      -0.51358140 
O       1.34448000       0.86585801       0.50496301      -1.71962063      -0.01887416       1.65444536 
O       1.00662000       3.35076001       8.28202996      -0.35639907       0.34644493       1.08969397 
O       1.11164001       3.43604996       0.77843903      -0.13299425      -0.55361587      -1.30972986 
O       8.83117003       5.84219003       6.47592997       0.97609862       3.29798342      -0.19608419 
O       3.70185998       6.54547998       1.22125000      -1.35239545      -1.73716946       0.71952977 
O       1.01470997       3.56697996       3.49121004       0.56637145      -0.31477091      -1.98374119 
O       6.54076004       0.96163499       4.01161995       0.03233805      -1.12253282       0.22040487 
O       3.22058005       6.00400004       4.22003004       0.74532660       1.76539089      -1.14837446 
96
Lattice="10.69433554 0.0 0.0 0.0 10.69433554 0.0 0.0 0.0 10.69433554" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.06586913277220628 0.012827843418247937 0.009206087155756356 0.012827843418247937 0.05622006204598339 0.0019472871152258922 0.009206087155756356 0.0019472871152258922 0.08502552692472794" pbc="T T T" energy=-933.55894677 free_energy=-933.55894677 config_type=crystal 
Hf      10.29450000      10.25830000       0.01804723      -0.59484018      -2.78565901       0.09559199 
Hf       5.31686997      10.09209997      10.48643958      -1.39778472       0.71749648      -0.62071231 
Hf      10.52690000       7.76337996       8.02956004       0.62525145      -0.71730149      -0.67231707 
Hf       7.61326004       2.62116004       4.88615999       1.84278819       0.30553722       0.06308846 
Hf      10.61690000       4.65570005      10.13649996       1.04386992       0.51009061       0.50578099 
Hf      10.51669995       7.49694000       2.43133997      -0.10170788      -0.22654915       0.15590021 
Hf       2.07663003       5.15602000       2.54917005       0.78788111      -0.30464544       1.43980597 
Hf       7.36839997       5.14506001       2.57353003       0.02380470       0.07044962       1.98035851 
Hf       8.09836997       7.44932999       0.07276447       0.55748846       0.96510486       0.26907090 
Hf       5.23571001       7.50480001       7.91710996      -0.37785135      -1.22387491      -1.96364858 
Hf       4.87216998       7.70486996       2.51989003      -1.07471518      -1.45279066       0.59527507 
Hf       4.68280998       4.97552999      10.32689999       2.31912883      -2.87154581       0.95521107 
Hf       1.98078996       7.88724999       5.46529002       1.69329403      -3.83884842      -4.73468774 
Hf      10.08259998       5.00871996       5.26066001       1.70015206      -0.72228243      -0.71192839 
Hf       4.77302996       5.25329995       5.11654004      -1.63746184       0.10708025      -0.41124672 
Hf       2.33672002       4.92304005       7.70045000      -1.58149291      -0.65686525      -2.86995139 
Hf       2.62433005       7.67083000      10.24509998      -0.33480099       0.72256596       2.10270988 
Hf       2.33613995      10.30939999       7.57381003       1.14765022       3.22962705       4.02773143 
Hf       5.22168001       2.12012004       2.33766999      -3.26111791       0.98733187      -0.39666482 
Hf      10.24830004       1.91638996       7.96037005      -1.03076708       0.98180745      -0.78152072 
Hf      10.23260001       0.13846502       5.10212996      -2.57247300       0.02408746      -1.43005070 
Hf       7.63961997       4.67212003       7.99218997      -2.10861276       2.20639392      -3.06897599 
Hf       7.48517003      10.03279998       7.77692006       0.70489263       4.89037873      -3.23998297 
Hf       7.54989995       2.18709001      10.42099998      -0.38959041      -0.53516677       2.61805411 
Hf       8.00672005       7.44857005       5.54938001      -3.90815391       1.96719780      -3.68205603 
Hf       2.45782000       2.24891000       4.98857996      -0.68942602       3.58067408      -2.59172317 
Hf       5.04375001       2.13812000       7.68212001       1.97604263       0.53163063      -1.64966968 
Hf       4.94636001      10.05650002       5.04051005       0.25568063      -0.06825355       0.43805573 
Hf       2.55558997       2.06394003      10.29560002       0.06547397      -0.66938227       3.60278752 
Hf       2.25527998      10.24320002       2.51425005       0.75054397       0.48924237      -1.86394838 
Hf      10.63749996       2.36492002       2.12233003       1.83925367      -0.87000004       2.63737941 
Hf       7.69258998      10.33990002       2.58027998      -0.27490545      -1.08307222       1.59013001 
O       9.11051001       8.66204005       1.48325996      -0.56441514       1.44827455      -0.96080121 
O       6.71354998       9.17540003       0.91400101       0.02613763      -1.99446421      -0.51103792 
O       6.13659004       5.74698000       9.01960997       1.96102522       1.39564480      -0.17685577 
O       9.04508003       8.97902005       7.17893997       1.51702432      -2.24649833      -1.92985711 
O       6.16956998       1.02407000       0.93256702      -0.07744031      -2.00437845       0.06384292 
O       8.40438004       9.26997004       4.30071003       0.02817073       1.17192354      -0.56830720 
O       8.63134004       3.87852996       3.62988003       0.97252623       0.08733152      -0.62030036 
O       4.17327997       8.83042001       9.25888996       0.02270620      -0.39046818       0.97033226 
O       5.74049003       9.47031996       3.26734997       0.31979043       0.93884044       0.29409821 
O       0.99700702       9.08193998       1.42387998      -1.24860739      -1.14609775       0.67565680 
O       1.29606000       1.13596002       8.63390999      -0.23599442      -0.70353326       1.75014333 
O       3.58509002       3.73923999       3.67946004      -0.87209533      -0.78280348       0.35604870 
O       3.55385004       0.43789197       9.86038003       1.10128691       0.52646409      -1.92650694 
O       0.73938903       6.09655997       1.15393998      -3.38727588      -0.76930647      -0.85455015 
O       8.90546003       3.77402000       6.30110999       0.87385472      -0.28086638       0.09730821 
O       1.41926003       6.19422000       9.10440996      -1.17934100       0.66311536       0.30220296 
O       0.70122095       6.56667996       6.29817001      -1.43436002       2.45132863       2.03007775 
O       9.56910996       2.98414001       0.67723099      -1.96658636       1.92375861      -2.60794685 
O       5.84906000       6.02328003       1.07061998       0.42338034       0.42509516       0.83018082 
O       0.99129603       0.97008799       3.78379997       1.17851713      -1.95531984       0.00497568 
O       6.40807002       0.52524598       9.12757004       0.22251459       1.68686023       0.62166827 
O       3.13734995       1.52185004       6.68264998       1.25922426      -2.52795995       2.04253355 
O       8.97625000       6.26528001       3.97266995      -0.24830575       1.88843340       1.90879329 
O       3.13822004       8.97297005       3.79289999       0.62696528       0.25136981       3.07372232 
O       8.64137999       0.91824003       6.52176995       2.08137250      -0.34997485      -0.59748583 
O       8.64157997       3.34299004       8.91407004       1.28723583      -2.74097740       2.15936463 
O       0.54874304       1.65936005       6.31779005       0.20703700      -2.09960436      -2.84449423 
O       3.75340003       9.21970003       6.88383000       0.19814291       0.11289404      -2.29991865 
O       6.74076000       8.61028000       8.72619002      -0.80421947      -2.62232881       2.96754380 
O       6.37214005       7.04905000       3.75240995       0.43092112      -1.88625013      -0.64996853 
O       1.19484004       9.14269996       6.58273997      -3.22253283       2.31605582       2.68761943 
O       0.34684297       8.80450004       4.34001995       0.25508957       1.06552190      -0.71580457 
O       4.01016002       6.51793999       9.32846998      -2.68922123      -0.67805943      -1.07234866 
O       1.31216000       4.51545999       5.76952996       0.81324008      -2.17203224       1.86975899 
O       6.69387999       2.72988004       6.67643004      -2.89683763       0.89432100       1.65371670 
O       0.88664704       6.34915996       3.67613998       1.35721753      -0.75978121       0.60384889 
O       5.82925002       3.43889000       9.08365001       0.92242428      -1.65355736      -0.00253339 
O       8.96432999       1.31880995       3.71328997       2.18287983      -1.81861222       0.11794324 
O       4.46102999       3.02150998       0.47692705      -1.50456824       1.54839814       0.73782345 
O       9.14320997       5.94713999       9.30604000       0.07780232      -1.54175848       0.99344083 
O       9.53970000       8.27785000       9.55241995      -2.58204319       1.31679073       3.54465003 
O       2.93757997       3.68908997       9.28521000       2.69125198       1.92927261      -1.22647651 
O       1.12279005       8.89196998       9.39040996       1.26520793       0.58700070      -2.02475440 
O       6.20884001       5.84320998       6.40850999       0.35828271      -0.60305936       0.49278781 
O       6.82356999       3.18032995       1.45373996       1.88215628       2.19304125      -0.76783806 
O       3.50337000       8.86457997       1.41096999       1.95219005       0.92702384      -2.39314704 
O       3.70758999       3.96363003       6.57370999       2.68605209      -1.09672572      -0.21189039 
O       6.15620997       4.21538998       4.02523999       0.87976152      -0.59569534      -0.31567464 
O       3.38256005       1.10029997       1.61836995      -0.31199480      -0.67828378       1.36594177 
O       8.78826005       0.45032895       1.00404004      -0.38957789       1.11551173       0.28757425 
O       5.97082003       0.20705399       6.56744001      -0.79019842       0.65540447       0.57470635 
O       3.65150997       6.59704000       6.33567996      -1.43649221       0.75519493       1.26358960 
O       8.83832003       6.28555005       1.52717999      -1.48517529      -1.02796516      -1.41444029 
O       6.48138996       1.44541998       3.83704001       0.16792428      -1.75650377      -1.81793075 
O       9.27807998       0.44975103       9.11829003      -0.08309234       0.43239006       0.01653963 
O       6.05794999       8.31495999       6.15866005       1.93049889       0.99049138      -0.07863869 
O       0.89262496       0.76212305       0.80901397       0.19180098       2.53941587       0.87322116 
O       0.83121199       3.64113999       8.39431998      -3.89641532       0.89514781       1.53979961 
O       1.33448004       3.50006000       0.84923900      -0.27142564       0.14742498       0.42969686 
O       8.62525999       6.15468999       6.80037001       2.46151017       0.13235371       0.71672727 
O       2.88267996       6.45763998       1.18197999       3.42212471      -1.00754238      -1.54438707 
O       0.91899398       3.38647995       3.70565004      -1.27485019       0.76664620      -2.79905760 
O       4.18352995       1.07718000       4.23347004      -2.43304458      -0.37544792       0.54971906 
O       3.63313004       6.36472000       3.61230004       1.05336745      -0.17334403       0.07750777 
96
Lattice="10.70145242 0.0 0.0 0.0 10.70145242 0.0 0.0 0.0 10.70145242" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0527512957702497 -0.00417506756942936 0.006314368596234107 -0.00417506756942936 0.06922289538504293 0.009584297961065342 0.006314368596234107 0.009584297961065342 0.03322134068678579" pbc="T T T" energy=-932.10064431 free_energy=-932.10064431 config_type=crystal 
Hf      10.33540004      10.48179997      10.13640000      -2.95937706       1.31949561       3.45281319 
Hf       4.71347002      10.05630006      10.32179999       0.29101704       3.40274623      -2.35982397 
Hf      10.36810004       7.34950005       7.69470996       3.17228876       3.13860236      -1.25041251 
Hf       7.86893998       2.12532996       5.30171003       0.09750786      -2.23666269      -0.80319533 
Hf      10.33439999       5.21145997      10.29990000       0.65601919      -1.63179226       2.50218747 
Hf      10.17130001       7.88816996       2.47776999      -0.50574742       1.85268081      -2.60649929 
Hf       2.01408997       5.08638995       2.35294996      -0.72175780      -1.44040783      -0.05849241 
Hf       7.37971003       4.83282996       2.60400004       3.07511859      -2.00366451       0.73762509 
Hf       7.56116001       7.78756999       0.02457032       2.34581197       0.91959068      -1.75425724 
Hf       5.14364005       7.27683001       7.90839003       1.78802442       2.44329127      -2.47559899 
Hf       5.28341001       7.42784003       2.28176005      -0.94303847       3.08718098       0.18711867 
Hf       5.06683005       5.02345996      10.60301147       0.06009160      -0.49190596      -0.90715643 
Hf       2.52005004       7.22443003       4.92169995      -1.73359097       4.82260373       2.79125688 
Hf      10.26870002       4.65539003       5.31087999       0.99022224      -0.61827402       0.83429932 
Hf       5.24291004       4.86742005       5.45654998      -1.32457953      -2.98786456      -0.83880188 
Hf       2.46793000       4.68499003       7.86289998      -0.86873290      -0.35827196      -1.49785896 
Hf       2.38213004       7.60457002       0.18275202      -1.42063737       2.15425455      -0.75870501 
Hf       2.43505001      10.17230006       7.65975003      -0.37231446      -1.00253241       1.90397730 
Hf       4.83773004       2.43707001       2.34741003      -2.80960631      -4.23226647      -1.26783661 
Hf      10.57490004       2.32702002       8.15598997      -0.49001042       1.29678982      -1.20791516 
Hf      10.31539999      10.52680001       5.14250002       1.18947472       1.20281189      -0.31630928 
Hf       7.70995996       4.84393999       8.13213001       1.42646659      -1.05448291      -1.20286175 
Hf       7.70027001       9.86049997       7.30194001      -2.01402355      -0.01729210       3.67079427 
Hf       7.49407003       2.14396996       0.06401341      -1.82188650      -0.78854783      -3.16898187 
Hf       8.15627997       7.25174998       4.89844998      -1.01468902       2.46612510       1.54170651 
Hf       2.50844003       2.23372005       4.94311998       0.29947422       0.58522833       0.92440679 
Hf       5.19094999       2.00447996       8.03737999      -0.82976221      -1.68201291      -0.68918858 
Hf       4.95194001      10.20900005       5.34885998       1.89893471      -0.30531236      -2.51526497 
Hf       2.49658004       2.42642999      10.31180002      -3.20848991      -2.18812306       2.28288873 
Hf       2.07764001      10.17190004       2.29163995       1.42764616       2.32812712       0.26291365 
Hf      10.40010005       2.53988004       2.15604998       0.23181427      -1.17770963      -1.67870516 
Hf       7.43366996      10.40530000       2.71304003       1.06532050       0.91910350      -1.06020837 
O       8.84223997       9.63298003       1.29144004       0.57669428      -1.71868053      -1.26308842 
O       6.25441999       9.15962996       0.44313302      -0.09009516      -1.63365026       3.03359920 
O       6.81231003       6.18564004       9.57010001      -1.71198309      -1.53724741      -1.35073279 
O       9.25309003       8.66600995       6.50745005       0.94184286      -0.81837087      -0.78496218 
O       6.16031998       1.03041995       1.50667001       0.54631189       1.10936090      -0.39791497 
O       8.72044995       8.81074998       3.59026997      -1.03113189      -1.04330597       1.94448263 
O       8.68235000       3.91841995       4.18636003      -0.18556616      -1.17105364       0.83999841 
O       2.42395003       9.37882995       9.64221003       2.19514545      -1.24636618      -1.15118831 
O       6.08240003       9.09267001       3.23882004      -1.30919090      -1.81824682      -0.38070772 
O       0.94747000       8.92032997       1.20177996       0.63127912      -1.47888359       0.05129293 
O       0.83083904       1.16862001       9.43440998       0.81175215       0.46739790       0.44102200 
O       3.62332997       3.81193001       4.26650995      -1.73757701       0.91097878       0.20108768 
O       3.35442002       1.26018998       8.90022001       1.44235571      -1.88390128      -3.29313567 
O       0.87795497       6.24170998       1.10670001       1.36592236      -0.55034668       3.29954023 
O       9.42741005       3.43089003       6.99373005      -3.10911433       1.61418809      -4.38024110 
O       1.33713995       6.45926998       9.67237004      -0.20935280      -0.08228340      -3.18665776 
O       1.25450997       5.89802000       6.50647002      -0.90164578      -0.59690091       0.94799761 
O       8.92084995       4.23359003       1.40619000       1.71523223      -0.78047905       0.72312990 
O       6.58914002       6.15825000       1.40706998      -1.93059612       2.77216437      -0.47600301 
O       0.60747405       1.54934002       4.40340999       0.28827774      -1.58839537       0.03959694 
O       6.05354998       0.75704001       9.47069999      -1.14765915       2.46305880       0.78220332 
O       3.82832004       0.99831003       5.97042998      -2.24859916       1.92556517      -0.33064838 
O       9.61057996       6.42256003       3.71353005      -1.78336157      -1.07862580       1.83424503 
O       3.26964001       9.22939005       3.98881004      -0.18843562      -1.25866225       0.03777791 
O       8.67758999       0.58246700       6.40390002       2.30571056       1.58853358      -1.47556525 
O       9.29653000       3.51996004       9.33529997      -2.31763889       0.82864328       2.05385015 
O       0.91928601       0.42461597       6.95538000      -2.24041080       0.35364099      -2.12855114 
O       4.01978004       9.45744999       6.79872005      -0.63240584      -2.84926847       0.85570543 
O       5.37228996       9.08544995       8.72830000      -1.52065790      -2.54034869      -0.11012659 
O       6.45838004       6.41021998       4.12965999       0.10418471      -1.06760171      -1.50613294 
O       1.59812997       8.36750000       6.47950000      -0.20900886       0.20812653       0.09005811 
O       0.51981695       9.21365999       3.76326002       0.49008880       0.62137268      -0.18659772 
O       3.96215005       5.96881995       8.61596996      -0.37886654      -0.34942712       0.50853112 
O       1.08334998       3.17482996       6.68778997       2.46152291       0.27162020      -2.21823797 
O       6.68513997       3.34595999       6.17345997      -1.58337515       1.40525341       0.27058602 
O       1.27983999       6.05424001       3.98922997       0.98517319       0.49708828      -0.74613581 
O       6.43193001       3.37036005       8.90552997       0.48265058       1.59158503       0.85759542 
O       8.98731999       0.85078805       3.95129995      -0.42932560      -0.15862965      -1.27131323 
O       4.38483998       6.96797004       0.22437703       0.98496705      -1.01438874      -0.90931487 
O       9.34257996       6.12804001       8.74867000      -0.58892927      -0.86530962       1.64088404 
O       7.69445997       8.73591997       9.00916005       2.12202436      -1.21379127      -0.23007013 
O       3.70148996       3.58067998       9.35907999       1.80074920       2.92468603       0.05775541 
O       0.08347101       8.99412001       9.12132005      -1.29870427      -2.62879736      -2.64730734 
O       6.37273001       5.83491995       6.76403000       0.13413730       0.80712120       2.75755819 
O       6.60340003       3.77193002       1.15633998      -2.60598953      -2.04087690      -4.38125445 
O       3.26185000       1.09967001       0.70146897       1.76155150       0.52128646       0.79629111 
O       4.06486002       3.60537005       6.76160003      -0.36392121       1.59390339       0.59540616 
O       5.66428005       3.79951002       3.23056997       4.35681362       3.78894095       4.43467809 
O       3.82269000       3.90370000       1.30077000      -0.66616141       1.04351400      -1.21359062 
O       8.84457995       1.53283998       1.11871004       1.59332854      -0.31167426       1.71197745 
O       6.13606000       0.51048004       6.79160005       0.31861822       1.21882856       0.65998025 
O       4.17789004       6.73503998       5.84504000       0.40289855      -1.67240635       0.24574908 
O       9.13325002       6.71262001       0.86786799       0.18563466       1.77843034      -0.39139902 
O       6.37827004       0.83057803       4.10322997       0.22073089       1.59197417       1.29199135 
O       8.51590004       0.71035203       9.05736999       3.26784400      -0.03071006       1.12065286 
O       6.60091001       8.75359000       6.04119002       0.00239982      -0.93767347      -0.66484885 
O       0.70036105       0.90862405       1.19972003      -0.31868750      -0.65945921       2.42932939 
O       0.83009604       4.09808000       8.85656997       1.63556330      -0.46057415       0.79512650 
O       0.78796902       3.46490995       0.63586596       0.61544881       0.97001337       1.06103553 
O       8.84268002       5.95948004       6.43597998       1.86660749       0.26799543      -2.11360968 
O       3.67262001       9.52956997       1.11896002      -2.14340669      -3.52447186       4.05296278 
O       0.75941798       3.83218005       3.32967002      -0.48555475      -0.18343636       0.94602950 
O       3.14697997       1.43174999       3.20485995       0.47709428      -0.49006933       0.28860257 
O       3.47022996       6.54211998       2.21758996      -0.70019214       0.42753420       2.81711156 
96
Lattice="10.70924927 0.0 0.0 0.0 10.70924927 0.0 0.0 0.0 10.70924927" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.05990436311077646 0.00019658224062883546 -0.002113676916786527 0.00019658224062883546 0.07210394926516706 0.003241781719050784 -0.002113676916786527 0.003241781719050784 0.02746104941166297" pbc="T T T" energy=-929.77380541 free_energy=-929.77380541 config_type=crystal 
Hf      10.41460002       9.98502001       0.02675599      -1.55433030       0.71417040       0.92287456 
Hf       5.62446002      10.48790001      10.38610003       0.07304104       1.13576765      -1.46318928 
Hf      10.05339996       7.77825004       7.81407002      -0.98787543       0.59348493      -2.27933452 
Hf       7.48817996       2.11235005       4.71263995      -1.13701214       0.83538769       0.88298848 
Hf       0.19575801       5.52571003      10.27050000      -3.79657012      -1.64152494       3.83690103 
Hf      10.37409999       7.67999996       2.68458004       0.33195518       0.73071501      -1.77954551 
Hf       2.23568001       4.57302004       2.74497003       0.44527938       3.04180405      -0.16780546 
Hf       7.40745000       4.77354002       2.25455999      -1.02316299       1.19183079      -0.07424144 
Hf       7.87655999       7.22840999      10.06290003      -0.23979722       0.52887031       3.64355570 
Hf       5.16585998       7.83433995       7.51465997      -0.87887007       0.74004725       0.89982520 
Hf       4.78969000       7.74390998       2.08481004       1.75096677      -2.54166386       2.10685939 
Hf       5.11140002       4.90834998      10.21520001       2.82947067      -1.73392679      -0.30220410 
Hf       2.36873001       7.29687004       4.58755002       1.81227742       4.08951265       0.58120642 
Hf      10.45360000       4.93125995       5.21609996      -3.87584161      -1.64917931       0.06338941 
Hf       5.06927005       4.65406003       5.47460003      -4.24954998       1.83655083      -2.89940797 
Hf       2.20973996       5.39992005       7.48723005       0.79793285       0.88236409       0.24051484 
Hf       3.06706998       7.26811999      10.30270004      -3.70793859       3.57639470      -1.09189317 
Hf       2.12622999      10.26790001       8.30844002       1.47043953       0.06700652       1.52047291 
Hf       4.83210002       2.15968000       2.29768999       2.02200912      -0.22711919       0.16921444 
Hf       0.15077702       2.51267999       8.23376004      -4.12047678       0.49074011      -2.28647529 
Hf       9.90183999      10.36810003       5.23403999       3.33418421      -3.02371923      -1.75662192 
Hf       7.44999003       4.92017995       7.28360995       3.44283230      -1.33404045       2.79128035 
Hf       7.98129002      10.60375428       7.54813002      -1.31787928       0.15441471       3.56281869 
Hf       8.00274996       2.33919005      10.66317208      -0.89797296      -1.56363545       0.14975411 
Hf       7.38298001       7.13898004       4.42232998       1.00363830      -2.15085791       2.16061974 
Hf       2.62011004       2.37745002       5.64259003       0.38360284      -2.72077769      -1.70019043 
Hf       4.97475000       2.17071996       8.15996999       0.79694355       1.10468841      -0.77111590 
Hf       4.87799997       9.96214002       5.10077998      -0.69230234       0.98221590       0.08234679 
Hf       2.34193997       2.45171995       0.10373300       0.36579625      -0.34657782       0.75927667 
Hf       2.11469002      10.41150001       2.88306002      -2.17422837       1.94350997       1.13175744 
Hf      10.02110001       2.17100000       2.55024997       1.83729206       2.17761250       0.01335707 
Hf       7.68555999      10.11990001       2.37647001      -1.02144610       1.37375576      -0.84812045 
O       9.29930003       8.44404000       0.67550903       0.97438476       0.17251662       0.76287987 
O       6.59388001       6.44065999       1.18613000      -1.98994888      -0.47553588       0.16937415 
O       6.30615996       6.55443998       8.79958001       1.64890343       0.39423734       1.91841461 
O       8.80241004       9.14796003       6.48400996       1.49588276      -0.62060186      -1.95787210 
O       6.76637999       8.92433998       0.95555301      -1.43494331       2.23127411       0.88357868 
O       9.07408002       8.73431999       3.83228997      -3.05795869       0.02537664       0.22191242 
O       8.83200001       3.46425001       4.18580003       2.18175425       0.48961074       0.54023439 
O       3.63428002       8.96309997       8.71763005       0.90958114      -1.14993697       0.66439705 
O       6.07610997       8.56632003       3.82832005       0.16860643      -1.33522399      -1.28771756 
O       0.94606301       8.93186997       4.06143995       1.29322190      -1.53637866       2.25182735 
O       8.97385998       0.80839496       9.53982003       1.08495979      -0.62643573      -1.67998263 
O       3.47684998       3.73030000       4.37990004      -0.58875799       0.08938598      -0.66155466 
O       1.07754003       1.28469996       9.57156995       0.73404184       0.05685709       0.38589583 
O       1.20163999       6.71635998       1.15275002      -0.59292442       0.09123006      -0.49917250 
O       9.00847998       3.71423002       7.06717003       1.21217691       0.12867397      -0.16527666 
O       1.37241996       6.59064003       9.10589003       0.71466558       1.40647568      -0.83419634 
O       0.54951503       6.63984999       6.56458003       2.03689201      -2.42771403      -0.27515564 
O       8.62578003       3.33505995       1.77113002       1.87542916      -1.62295846      -1.54574604 
O       6.20029999       3.37812002       0.80390404      -0.17915067       3.09401308      -0.61766340 
O       1.56916001       1.08202003       4.21098005      -1.45719827      -0.62239564       1.38730546 
O       4.13347004       0.80632101       9.18354997      -1.50337558      -2.03007425      -2.63222803 
O       4.13652999       1.09859002       6.29906005       0.37476290       0.19270785       0.56629235 
O       8.80872999       6.14887996       3.10147998      -0.66675508       1.49277757       1.90238071 
O       3.50059999       8.97533999       3.39636997       0.74095417      -0.48991667       0.76423026 
O       9.58696996       0.91046899       6.58094998       0.23045630       0.85267034       0.95029775 
O       9.14592998       3.47085002       9.68191998       2.26701445       0.45768968      -0.22305426 
O       1.69367998       1.44148005       7.15993997      -0.88249930      -0.89995765       1.79874887 
O       3.60840004       8.63726003       6.24290000       0.64723648      -0.09485677      -1.56402445 
O       6.67324004       9.55136995       8.87988996      -2.61236175       0.47987344       1.91062361 
O       6.03528995       5.56105002       3.99388997       2.77378385       2.92610140      -3.11302965 
O       1.58700001       9.21686002      10.24659996      -2.14417369       1.37380658      -0.99515212 
O       0.60503499       9.31741002       7.48947000       1.02966497       0.52271037      -0.22833587 
O       3.95623003       6.36558997       8.67665004      -2.09496648      -1.63802949       0.29434412 
O       0.83689699       3.57480995       6.18773001       1.89731163       1.28910926       0.98913259 
O       6.58471000       3.70954001       5.89632995       2.09874870      -2.18929354       1.53319542 
O       0.93569099       6.11665005       4.03605003      -1.72711127       0.63049253      -1.29094103 
O       6.12315999       3.88415004       8.69574998       0.84575044       0.74336475      -0.57633999 
O       9.22312996       0.91588102       3.77221997      -2.07880798      -1.69952934       1.93576967 
O       4.09125996       6.09974004       0.85839099      -0.55755987       1.42492035      -1.60397714 
O       9.03008000       6.17217997       8.79624997       1.67575919       1.44292973      -0.51535807 
O       8.97051998       9.08524998       8.90501996       2.03888779      -2.40182605       1.58848596 
O       3.78591999       3.63065997       9.63162003      -1.77969717      -1.25402691       0.41030335 
O       0.03235071       9.73371998       2.30505999       0.99573984       0.80974699      -4.30552879 
O       6.19457001       6.17201001       6.31662996      -2.05707001       2.64542801      -0.03931999 
O       6.65469001       1.07407002       1.63646003      -2.54057131      -2.24741665      -0.28788115 
O       3.94871000       1.35053004       0.49922697       0.21239533       0.14931001       4.48906952 
O       3.91787004       3.83063003       7.05407005      -2.00365407      -0.76979873      -0.27576467 
O       6.39553004       3.24661997       3.48158004      -1.94380169      -1.67874146      -1.34865224 
O       3.68709000       3.78326002       1.74953000      -0.35735629      -2.51463304      -1.08321359 
O       8.84438997       0.75758300       1.25239005       3.00996235      -0.47466459       0.37802571 
O       6.94663004       1.27695000       6.46062000      -0.00749613      -1.02451808       1.86695372 
O       3.31392996       6.08116998       5.71870998      -0.30332513      -1.87377798       4.13249139 
O       8.77561999       5.92410996       0.63512499       2.01737245      -0.68480260      -1.87437370 
O       6.16416003       0.32668801       4.10322005       4.54081301       0.74662860      -1.08494338 
O       6.41701997       1.47846005       9.61591995      -0.24948023      -0.84441095      -0.74905151 
O       6.29371999       9.06958000       6.54290002      -0.85463259       1.06564074      -2.02320708 
O       1.32721997       1.27935005       1.56839997      -0.46762689       0.63685749      -0.08093718 
O       0.90281702       4.28187999       8.80257999       1.34443956      -1.48809289      -1.14055756 
O       1.00290995       4.11495996       0.78358699       1.55348274      -1.25826257       0.01375744 
O       8.68649998       6.10139001       6.01796003       0.36440066       1.19797747      -1.71503904 
O       3.81046998       8.73702000       0.81395199       0.73471788       0.80386034      -1.01866320 
O       0.61944204       3.83458003       3.49336000      -1.54155415      -2.30392409       0.22141202 
O       3.94688996       0.96499096       3.71921004      -1.02190536      -0.31046305      -2.15285320 
O       3.44346004       6.25687996       3.29207003      -0.04989760       1.26612223      -1.58343763 
96
Lattice="10.71591797 0.0 0.0 0.0 10.71591797 0.0 0.0 0.0 10.71591797" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.06150026252461467 -0.012218849991847292 -0.0015701919359825927 -0.012218849991847292 0.044817858129864434 0.0006535138675767151 -0.0015701919359825927 0.0006535138675767151 0.05621924225496726" pbc="T T T" energy=-929.57275218 free_energy=-929.57275218 config_type=crystal 
Hf      10.61890001      10.16430002      10.49786897      -1.23520801       1.39342786      -0.48141315 
Hf       5.08081995      10.30400001      10.62915718      -1.99386693      -0.48416727      -0.09614533 
Hf       9.94268005       7.62160996       8.02499998       1.82402035       3.21923242      -1.05772055 
Hf       7.42186997       2.13602997       5.49053000       3.33686098       3.64347604      -1.57850065 
Hf      10.57315301       4.80419003      10.37720002       0.66900299       1.74001719       0.65893191 
Hf      10.54620001       7.80864999       2.70562998      -1.31571857       1.93089764      -2.27588278 
Hf       2.22989005       4.72212003       2.49689001      -0.40960548      -0.82882489       0.26768546 
Hf       8.02643002       5.07169995       2.56624996      -0.26088050      -0.81926000       0.79313143 
Hf       7.74030997       7.83870996      10.57017999       1.63049389      -0.04764122      -0.29506800 
Hf       5.20537996       7.83359997       7.44388004       2.08119567       0.51524864       1.25636930 
Hf       4.68396997       7.59436999       2.55087005       1.39550690       1.07290612       2.36427265 
Hf       5.57445000       4.75074996       0.18909598      -2.94568938      -0.03985007      -1.15002774 
Hf       2.29020995       7.66384997       5.40921001       0.43162265      -0.80167901      -0.07303869 
Hf      10.58479896       4.87373998       5.32393005      -0.13025704      -2.00796299      -1.03747476 
Hf       4.92145003       4.74450997       5.04637995       4.60995115       2.53496359       1.08851777 
Hf       2.66228999       5.13125002       8.13226000      -1.02236619       0.72178730       0.06566793 
Hf       2.39949003       7.67314003      10.40690004      -0.36274375      -0.45695782      -0.65904016 
Hf       2.35186999      10.41700001       7.95402996      -1.17726273      -1.22015043       0.51213024 
Hf       5.35972004       1.91217005       2.31673999      -0.31137353       2.69642357       1.01079110 
Hf      10.26310003       2.03069003       7.99111003       1.22769155       0.86492635      -0.36752690 
Hf      10.32020002       0.12677499       5.00334997      -1.44006403      -3.96266302       2.85948712 
Hf       7.47243999       5.22044000       7.45815996       2.25894104       0.48959611       0.95568967 
Hf       7.52395998      10.36620002       7.76324000       1.44666897      -1.84562836       0.01353772 
Hf       7.71636997       2.51061999      10.01350005       1.31612310      -1.84734163       2.17737691 
Hf       7.84891002       7.81955001       5.19841997      -0.91107167       1.17305017      -4.16519798 
Hf       2.37273002       2.39345997       5.16488000      -1.55083859      -0.79293648      -0.48658228 
Hf       5.13563005       2.11850001       7.66676995      -1.80565557       0.42051015       0.65697871 
Hf       4.80642001       9.94817999       4.66265000       2.67210882       1.89997617       3.81668704 
Hf       2.53032999       2.37085002       0.07039104      -2.18863732       0.83287684      -0.64029566 
Hf       2.40071003      10.53269999       2.48148995      -1.43161751       0.17537155       0.26252266 
Hf       9.99659997       1.93932997       2.41512005       2.17429006       1.67224324       1.11520060 
Hf       7.67076999      10.10429999       2.50732002       0.98490794      -1.40780493       0.75297075 
O       9.29428000       5.64000002       1.12736997       1.05766712       0.60364103       0.19052439 
O       6.63049000       6.17804004       0.83346995       1.56962378       1.88408923      -0.20966404 
O       6.45422997       6.67375005       8.57898004       0.87959567      -1.41555529       2.17451879 
O       8.18167999       8.39326997       6.95945003       2.21469225       2.30513743       2.94016784 
O       6.23076000       9.16846998       1.32628999       0.79317180      -0.21396254      -2.72650526 
O       8.90307998       9.28851001       4.29575005       2.14328892       4.19307991      -0.57979223 
O       8.73284005       4.15659999       4.34399997       2.06559124       1.90435442      -0.38133264 
O       3.09857005       9.39919001       9.61507997       1.36276207       0.29499633       0.37783850 
O       6.52748999       8.73419004       3.61939999      -2.74847760      -1.28074218       1.03858300 
O       0.97932399       9.27394001       3.44349005      -2.55127668      -0.91524323      -0.43941619 
O       8.67914998       1.29503005       4.06891003       1.75469045      -0.23886620      -1.44818836 
O       3.51113000       3.85510003       4.34687998      -2.04896887      -0.90306045      -1.51780529 
O       1.03078001       1.04188995       9.74157999       2.22544839       0.33295750      -1.95659273 
O       1.59872998       5.65714999       0.34766703       0.92993167       2.03905681       1.19786092 
O       8.69314004       3.38083001       7.17232999       1.24745673      -1.74880448      -0.94862616 
O       0.82189098       6.73321000       8.73332002       2.83292251      -2.74833029       0.76761055 
O       1.83096997       5.79117997       6.14766995      -1.39937909      -1.48729891       0.80677582 
O       9.22784002       0.93067801       9.30232004      -1.25112940       0.86794077       0.00613965 
O       6.53378998       3.67094998       1.45758002      -1.38084039      -0.61353321      -1.08370733 
O       0.93076695       0.98193996       3.98393001       0.31228683       2.17861019      -0.96639788 
O       4.29733997       0.98714801       9.09435997      -0.55064690       0.77342812      -0.05404724 
O       3.00620001       1.04027003       6.61128996       1.19380387       1.71722152      -0.58816402 
O       8.73808003       7.30600003       3.28528002      -1.08702922      -4.78585416       1.26263330 
O       3.09672005       9.26554001       4.06317005       2.57255565      -1.80706197       0.53885237 
O       9.16429002       0.58489902       1.47635999      -1.86714477      -1.71532927      -0.63540923 
O       9.16172002       3.68730001       9.46133998      -0.05432245      -0.25810519       1.01483629 
O       0.51008895       0.11666002       6.93185997       0.35306715       2.56025659      -0.50210760 
O       3.97643005       9.26382000       6.88688998      -4.47192067       2.39477515      -0.42134398 
O       6.04865005       9.38553000       9.01515005       0.29012157       0.18320221       0.80794919 
O       6.04876996       5.55195996       3.62761995      -0.19303536       1.29090855      -1.06919514 
O       0.65090500       9.34530995       8.93052002       0.17037403      -0.98858273      -1.23837490 
O       0.80986300       8.44511004       6.36469998       0.08226545      -1.03138604      -0.58549847 
O       3.56164998       6.92239996       8.65366999      -0.68568619      -2.11466575       1.08968148 
O       0.47361603       2.88536004       6.02030998       0.02900183       1.05994239       1.15784642 
O       6.51757005       3.82646999       6.51633000      -3.88108067      -0.96982197      -1.29904445 
O       0.62956200       6.33530996       3.64246997       0.68225679      -1.94805476       1.38461231 
O       6.32941996       3.69062001       9.16517997      -0.99148604       2.07582339       1.51277516 
O       8.95113005       8.78151003       1.40775004      -1.33171654      -0.29857006      -1.95045811 
O       4.10317996       6.88190001       1.02432999      -1.59328631      -3.14637172      -4.56007348 
O       9.21628997       6.53722004       9.43337004      -2.63133955      -0.58772005       1.61641593 
O       8.76792000       9.19775004       9.29969003      -0.90443594      -1.20405080       0.61707269 
O       3.43686000       3.98327999       9.90459996       1.38895784       0.08900441      -0.61634807 
O       0.76701605       8.48372003       0.56733295       0.36878790      -1.08729689       2.23047779 
O       6.78078000       6.55374999       6.14111996      -2.77622121      -2.92627351       0.45758528 
O       6.47114998       1.06691001       0.61991200      -0.26850633       0.18971719       0.90333273 
O       3.94285001       1.01126000       1.18731996      -1.27860284      -0.39193837      -1.70573800 
O       3.69795002       3.68254996       6.91426004       0.54605770       0.39173373       0.85275742 
O       6.27162001       2.98865998       4.05403998      -1.53438675      -0.57569992       0.10474270 
O       3.66742005       3.37218001       1.88486000       0.35750433       1.06696111      -1.26504138 
O       8.89307003       0.49869900       6.47029002      -2.27271354       1.46655997       1.22801845 
O       6.06818999       0.97765199       6.19870998      -1.91989359       0.07897109       1.90705496 
O       4.15208002       6.90195002       6.22780005      -1.40827007      -3.07872221      -3.40258884 
O       8.83058004       3.28271999       1.71207000       0.56505290      -0.43938522      -0.27244790 
O       5.92954005       0.46571197       3.60335997       1.01469994       0.13475239      -2.33951769 
O       6.86688004       1.46685004       8.59864997      -0.59610507      -1.66160160      -1.64967535 
O       6.11193001       9.27807003       6.02857999       1.89221900      -1.33699524       0.80366247 
O       0.93546095       0.55041005       1.25367003       1.37498664       0.40006472       2.17099244 
O       0.99596496       3.36021997       9.11133002       0.16174237       1.90044138      -1.03736798 
O       1.07713996       3.49054000       1.15021995      -0.37517121      -1.46613650      -0.10809182 
O       9.32414001       6.07123995       6.54841003       0.84290625      -0.08506312      -0.08964988 
O       3.65349997       9.24693000       1.38532998      -0.02157032      -0.25303788       1.05614249 
O       1.14071000       3.61739997       3.81058997      -0.40786536       1.58457025      -0.75336704 
O       3.31337995       1.19621996       3.67617003       1.76409664      -0.16938873       0.54364553 
O       3.33405995       6.56982997       3.63243997      -0.12360753      -0.50375017      -0.62356249 
96
Lattice="10.72241521 0.0 0.0 0.0 10.72241521 0.0 0.0 0.0 10.72241521" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.06743090697207607 -0.006012256429750045 0.0003481547307321687 -0.006012256429750045 0.05089040166451042 -0.019107050073364797 0.0003481547307321687 -0.019107050073364797 0.07018963080602705" pbc="T T T" energy=-926.84516187 free_energy=-926.84516187 config_type=crystal 
Hf      10.10960002       0.06743895      10.11570000       0.56991283      -4.49975600      -1.50816112 
Hf       4.88296998      10.35360005      10.68496921      -1.99624139       2.91634790      -4.58605657 
Hf      10.68759824       7.79387003       7.72771005      -0.43191808       0.10993856       2.87571921 
Hf       8.20367999       2.34866999       4.91484997      -2.47538223      -0.45329161      -1.22486041 
Hf      10.24380005       4.87766003      10.46379999      -1.05076204       0.67519498      -1.59983274 
Hf      10.14769997       7.94443998       1.91957995      -0.38845873      -1.13828124      -1.89176620 
Hf       2.06029997       5.34600000       2.49346999       0.34932029      -4.00150646      -0.13304124 
Hf       8.02486999       4.99090996       2.37395999      -3.44254514       0.66147951       0.16662346 
Hf       7.03808998       7.84376004      10.47839995       3.75520518      -1.42734892      -3.88215808 
Hf       4.98766997       7.73647005       7.73755998      -2.98607344      -0.32610450       3.01135183 
Hf       5.06268002       7.63894003       2.42397995      -1.97032182      -4.81867666       0.76978357 
Hf       4.90021999       4.71440000      10.68942716       1.51922752      -2.68112935       2.26592025 
Hf       2.35103997       7.32868995       5.19820995       2.03558217       0.61222774       0.13684301 
Hf      10.28810003       4.88354996       5.20226002       0.51136857      -0.10229769      -1.76558399 
Hf       5.46731995       4.74645005       5.46881004      -0.81150812      -1.50221923      -0.54474068 
Hf       2.73538001       4.96918999       8.25551997      -1.91018107      -2.84831085      -4.50054360 
Hf       2.08591003       7.46769995      10.54300004       1.33747045       1.71146742      -1.40647575 
Hf       2.42690996      10.34859997       7.82373003       0.09225093      -1.55317166       0.56068405 
Hf       4.97451003       2.37932999       2.71839999      -0.21253584       3.78607130      -1.07278128 
Hf      10.52409996       2.47906003       7.86037999       0.20870107      -0.57759175      -3.03229662 
Hf      10.57180002      10.24800002       5.03563005       2.44782337       2.71328668       2.05466498 
Hf       7.70606996       5.33579001       7.97226003      -0.55453681      -1.39068319       0.01220393 
Hf       7.69618004      10.14479999       7.21750000      -0.66569346      -0.01098226       3.47883619 
Hf       7.63011001       2.27531999      10.20029996      -2.48530837       2.45956601       0.79792114 
Hf       7.96595000       7.74999005       5.23552996      -4.73282504      -3.25198715      -3.63662039 
Hf       2.16346000       2.22349995       5.00250003       0.29932852       2.80589890       2.68176346 
Hf       5.00038997       1.82282002       8.00042996      -1.07510412       2.03277391      -1.39149835 
Hf       4.86061996      10.54259999       4.92819005       0.71852840      -0.10467671       2.46494567 
Hf       2.03096998       2.27157004      10.71040621       0.97352218      -1.32788654       0.09995637 
Hf       2.61470995      10.10000002       2.61365004      -1.24342547       1.27724375      -1.64707128 
Hf       0.05173576       1.74306005       2.32685996      -1.10881284       3.01210548       2.80779930 
Hf       7.67257003      10.32909997       2.68359000      -1.76999196      -0.80408906      -0.23073992 
O       8.68852005       6.67491995       0.61649598       1.48001645      -0.11339826       1.72540638 
O       5.98948999       5.83924997       1.56564997      -1.05164657       0.28408170      -1.98870620 
O       5.87331005       6.34218003       9.22954996       2.39110983      -0.09968858       0.15150750 
O       9.04900004       8.74562999       6.55902995       1.62928987       0.98697828       0.04023550 
O       6.66884002       8.31679997       1.53646002       0.34820845       2.43788030       1.83886004 
O       9.23013004       8.45016998       3.52370002      -0.37876020       1.86675072       1.95629543 
O       9.55634001       3.00845001       3.65901004      -0.37143186       1.30335681       0.45302193 
O       2.79544998       8.17582005       8.46425001       0.91500376       2.63222801       2.03641938 
O       6.77144003       9.58669999       4.55462003       2.08826511      -0.66983793      -1.90582402 
O       1.65003999       9.28343996       4.30305995      -0.65043983      -2.02640043       1.13316133 
O       9.31653995       0.59382397       3.29078000      -0.39701697      -1.32037282       0.98779834 
O       3.96069999       3.50246996       4.24431001       2.65227204       1.48622289       0.51005462 
O       1.19479004       0.77379199       9.08375996      -1.95049182       2.04753593       1.09111938 
O       0.71000199       6.24944004       1.19711005      -0.76812365      -0.21351614      -1.16782874 
O       9.12652996       3.32578000       6.27916000       1.43646831       2.00886862       0.46985552 
O       1.14379005       6.02879997       9.34733998      -3.17990208       0.67267640       0.03707819 
O       1.08375000       6.60786004       6.59222997      -1.13047293      -0.36180170      -0.63629266 
O       9.21719002       0.84053796       8.37422998      -0.15811208       0.25701929       2.50442037 
O       6.12462995       3.12057999       1.10873998      -0.76697232      -1.60615369      -0.17851032 
O       1.25718002       0.83609995       3.93933997      -1.93202311      -1.55367916      -3.84267001 
O       3.81357001       0.59836502       9.13470001      -0.22951367      -1.22576098      -0.37890626 
O       3.18863001       1.22284996       6.79712997       1.26841041       0.49682699      -0.66135670 
O       9.51117999       5.76512002       3.31069999       1.76108348      -1.05034233       0.51414668 
O       4.53604999       9.30356004       3.39807996      -2.14522240       0.80192339      -1.01748956 
O       9.24093995       1.46021003       0.48666705       0.84012594       0.03462732       0.57801287 
O       9.08114005       3.77537001       8.84404997      -0.10749576      -0.84683554       0.66247292 
O       0.55668196       1.27671004       6.05917003      -1.66472853      -2.22801464       0.62174368 
O       3.59166995       9.39729003       6.24634995       0.95547151      -0.67280533      -0.84275236 
O       5.72471003       8.89537999       9.27996997      -0.31081173       0.85087419       1.03766354 
O       7.30429002       6.32563996       3.83524001      -1.59788024       2.90040673       0.70800278 
O       0.88369300       9.08176999       9.53955000      -2.10123990      -1.92468671       1.34630696 
O       0.70865396       9.43873999       6.88331996      -0.29451511       0.04707081      -1.28558795 
O       3.34707997       5.82667001       9.72630005       3.60705160       1.82203329       4.77009051 
O       1.09318004       3.49316001       6.51612002      -0.49326777       2.59463405      -0.05150669 
O       6.38141003       3.40043996       6.54687995       1.64406894      -1.05892721      -0.99597868 
O       0.97579500       6.13071996       3.98532004       2.57069309       1.50323398       2.02838508 
O       6.17701002       3.52191999       9.36195002       0.24082350       0.84901012      -0.87508732 
O       9.21457000       9.57001999       0.97750995       0.91651372      -0.90709669       1.58616079 
O       3.21038000       6.74144997       1.81707999       1.45480752       0.12273465      -1.63586532 
O       9.13695000       6.34083995       8.87945002       0.29386150      -0.17061893      -0.79323586 
O       8.47853999       8.97512002       9.23326999      -0.66654534       1.04421815      -0.32599092 
O       3.37471002       3.19797996       9.84361003       2.81718816       2.05319787      -2.74957874 
O       1.65794005       8.57774002       1.87835002      -3.17561847      -0.02913855      -1.22125151 
O       6.67159000       6.14307004       6.47047995      -0.95928158      -4.42129961       0.48735577 
O       6.49217998       1.19083004       3.61830003       0.01962371      -0.25990012      -0.29837036 
O       3.37064001       0.98609699       1.04612997       2.15178832      -0.68609564       1.44763211 
O       4.14784999       3.93560996       7.15787994      -0.75639339       0.41459265       0.59942792 
O       6.89149001       3.92142003       3.68091003      -0.62830217      -1.97404801       1.87871463 
O       3.62413002       3.83127003       1.47675000      -0.31802198       1.23524767       0.78197073 
O       8.63435995       0.62296600       6.10412001       0.95912034       0.62884826      -3.43456921 
O       6.22996996       0.88346997       9.24138997       2.35611516       0.69459181       0.03367619 
O       3.55862003       6.56631004       7.13093001      -0.38385751      -2.80982303      -3.09623343 
O       8.40389997       3.83774005       0.63593497       2.70735368       1.88978773      -0.15271385 
O       6.00742998       0.33344299       6.51354996      -0.85097389       1.37428866       1.62253491 
O       6.28981004       0.09472385       1.02922995       4.20198923       1.14200914       3.79309068 
O       6.29180002       8.08843000       6.51135005       2.82536273       6.11901927      -1.51272184 
O       1.07347996       0.51543797       1.29773005      -0.79879281      -0.61060243      -1.37119441 
O       0.94411595       3.36538999       9.17385999      -0.60785933       1.44224603       2.01751277 
O       0.87417096       3.43950000       1.30566003      -1.18218466      -0.08983027      -2.13126897 
O       8.95415995       6.26705997       6.11614005       3.60668412      -2.76341863       0.56077855 
O       3.83033997       8.96804998       0.63717395      -1.03540600      -2.83981960       2.05060095 
O       1.43908998       3.52078996       3.71073004      -0.73877528       0.52368608      -0.05603113 
O       3.68564998       1.29954000       3.98919995       1.49548713      -4.69026600      -0.90067610 
O       4.10724002       6.55848996       4.17294001      -1.35879216       0.70185987       1.31589598 
96
Lattice="10.72918265 0.0 0.0 0.0 10.72918265 0.0 0.0 0.0 10.72918265" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.051321691798837166 0.002353963852073206 -0.00250605729597724 0.002353963852073206 0.0782768056853673 -0.0018704679378629466 -0.00250605729597724 -0.0018704679378629466 0.0761871701255073" pbc="T T T" energy=-932.07876557 free_energy=-932.07876557 config_type=crystal 
Hf      10.32419999      10.37819997      10.29789998      -0.55153657       0.47951740      -0.15898261 
Hf       5.12432995      10.19699996      10.39530003       1.99947181       1.22856478       3.93674333 
Hf      10.37869995       7.68025998       7.75911003       0.91508126      -0.78049583       1.23957624 
Hf       7.75013003       2.02809995       4.79884002      -1.25950946      -0.39414533       2.09551511 
Hf      10.60392964       4.77316004      10.04310002      -1.11489550       3.90110337       2.12896003 
Hf      10.07959995       7.84353003       2.40894999       2.05965184      -1.85542948       2.95561284 
Hf       2.27590995       5.17240999       2.49155000      -1.18208794       0.05655615      -0.71573664 
Hf       7.94760997       5.01221997       2.36767998       1.87877831       0.01990984       2.84101828 
Hf       7.55549997       7.58714001      10.38490002       0.44359220       0.18853776      -1.11055191 
Hf       4.74525001       7.52091005       8.09902996      -0.02668178       2.93886204      -2.01628165 
Hf       5.14610000       7.72018005       2.37704999      -0.85510956      -0.74542189       1.49777551 
Hf       5.25913998       4.81292004       0.05572888      -1.73105312       0.19961717       0.37781642 
Hf       2.15872003       7.87589997       5.50099003       2.13070922       5.45823321      -6.37385572 
Hf      10.68155474       4.91821999       5.13670005      -1.73571113       1.46502237      -2.75451473 
Hf       4.69480000       5.05845996       5.27492004       2.64420284      -0.93958650      -0.51273271 
Hf       2.52073005       5.02570001       7.90500996      -2.93785912      -0.00273951      -0.04844058 
Hf       2.47276996       7.52192997      10.61980003      -1.87935825       1.21120896       2.19400211 
Hf       2.12972999      10.37110004       8.29312999      -0.74415042      -1.43337612      -1.44221604 
Hf       5.19080002       2.23325995       2.57588996      -0.02916857      -0.35586848       0.05313737 
Hf      10.12060002       2.11690003       7.35037002       1.26790365       0.73250289       1.00321720 
Hf      10.48449999      10.43320001       5.31576003       1.17016546      -2.06071576      -1.19263404 
Hf       7.75034000       4.83384999       7.66228002      -1.21589020       0.95225941      -1.54871779 
Hf       7.76795002      10.20330002       7.79979005       0.28189556       0.59852875      -0.10419657 
Hf       7.68177998       2.28771001      10.32890002       0.47544444       1.12956275       0.81544192 
Hf       7.49583005       7.85159001       5.10104998       3.87063166      -3.32237073       3.52736957 
Hf       2.61332000       2.20782996       4.86644997      -2.69081507      -1.34876680       0.48424604 
Hf       4.68946995       2.33965997       8.19898002      -0.46271124       0.32952493      -5.18354147 
Hf       4.80431995      10.17920003       5.28601004      -0.81014252       0.29562505       1.74531068 
Hf       2.61460997       2.39723995       0.04788842      -1.37936418      -0.31445845       0.37297755 
Hf       2.42144005      10.17269997       2.24338004      -3.00619450       0.76435728       1.81672728 
Hf      10.33100004       2.35089996       2.21450995       0.77420540       0.28019517       3.97216784 
Hf       8.01995996      10.48940001       2.40955995       0.51551306      -1.11092319      -0.68159976 
O       9.79936003       6.20690995       1.37127999      -2.62433655      -0.27530847      -0.65709666 
O       6.71767001       5.90145001       0.99636801       1.22970623       1.93676675      -0.57313164 
O       5.91314997       6.67610998       9.31520996       2.50410336      -0.70116429       2.28648210 
O       8.85604997       9.11845005       6.51938001      -1.02008538      -0.57374347      -1.22527477 
O       6.45558000       8.65353997       1.19442004      -0.80456896      -0.34599384      -1.45192948 
O       9.32397001       9.33704996       4.02945001      -1.51650778      -1.50029054      -2.56357949 
O       9.45419997       3.86423004       3.42099002      -0.60801563      -0.04326765       0.09840319 
O       4.00054999       8.85114995       9.71152998      -0.95924562      -1.34288197      -5.53916325 
O       6.69780997       8.61503004       3.61666005      -1.99418787       1.31438215      -1.54002563 
O       1.19812997       9.44087003       4.14768003       0.43861370      -0.42425386       0.90650715 
O       9.03149002       1.00066001       3.69070000      -0.87757852       1.44842373       1.11098489 
O       4.31687999       3.18786998       4.21875002      -1.15365223       0.44692843      -0.22138966 
O       0.36982001       0.75191496       8.73550996       1.70632872      -0.49389645      -2.18702570 
O       1.27636996       5.95960004       0.22533301       0.44330392      -1.11784918       3.51777568 
O       9.26077995       3.77333005       6.13254995      -2.53754854      -1.30345957       0.70494106 
O       0.72291999       6.08595000       8.76730000      -0.73978876      -1.16790129      -1.63511725 
O       1.69869999       6.74025998       6.75321000      -2.40692983      -3.72990482       3.20158068 
O       8.91188002       0.85005200       9.18777999      -3.42687867      -0.27521313       1.40795042 
O       6.19679995       3.33055996       1.15674000      -0.49274849       0.49155484      -0.91752619 
O       1.19898005       1.22998996       3.30015002      -2.02239278       0.72533878      -1.64482549 
O       3.00367996       1.30271998       8.97250001       0.98968203      -0.03674899      -0.01894040 
O       3.68078999       0.70400905       6.34764002       0.09809139       2.29082937       0.11691022 
O       8.71414001       6.56007001       3.67083996      -2.84789438       0.37153942      -0.63244389 
O       3.99570995       8.67699000       4.15319998       0.38268694      -0.73590852      -1.72583422 
O       9.48389996       0.85193895       1.30240003       0.01000184      -0.92248302      -1.84640233 
O       8.84311004       3.25348001       8.62296996       0.18052557       0.87415840       0.61453278 
O       0.82876005       1.33951002       5.85710995      -0.98461588       0.36965975       1.36234597 
O       3.28945002       9.12475999       6.76397995      -0.15188641      -1.63428136       0.82123314 
O       6.65106002       9.24957000       9.35069995       0.18181753      -0.03742915       0.15650698 
O       5.92558005       5.66867997       3.73370996      -0.61723198       1.42112430      -0.24403054 
O       1.34060998       8.77408996       9.41930996      -0.31211719       0.68491355      -0.04622993 
O       0.84753301       9.39331004       6.93043002      -2.07181098      -0.61915605      -1.70996905 
O       3.26832995       6.13361000       9.55657998       2.37511818      -0.62791568      -3.06942502 
O       1.09284000       3.93942005       6.26638996       0.01884801       0.33929187       2.21685159 
O       5.86929004       4.00416004       6.68213002       1.32299253      -1.20224471       0.71715384 
O       0.40238898       6.61019997       3.91187995       1.32761171       0.36665707      -0.24025744 
O       6.51982002       4.10628995       9.34856999       1.55430387      -1.39963710      -0.33625223 
O       8.97451002       9.35378995       0.91066502       0.10342423      -3.12926122       0.98428098 
O       3.97192003       6.15044999       1.35681995       0.84471818       2.63749016       0.54030150 
O       8.99263998       6.26907001       9.22936995      -2.48013002      -0.54469081       0.15903469 
O       9.26247001       8.91327997       8.91691995      -0.06611096       0.41035118       2.12383643 
O       4.01443999       3.55696996       9.51337002      -1.20588657       1.29627620       1.38087578 
O       1.28623995       8.36189000       1.64364995      -0.48584609       0.62585818       0.05986464 
O       6.76289995       6.33415001       6.39696004       0.93999794      -0.29220473      -0.04219300 
O       6.12971005       0.64969299       4.14264997       1.09541677       0.87203173      -1.35784758 
O       4.20560002       1.20945999       0.90910704      -1.31512092      -0.77019910       1.07506899 
O       3.27413004       3.48156999       6.82370995       1.58211477      -0.39955290       0.14633187 
O       6.73162996       3.16762005       3.62767002       1.32287276       0.06349615      -0.83874371 
O       3.40897001       3.77344002       1.46040999       1.21879994      -1.11509083      -0.13207627 
O       8.81366004       0.89117503       6.54033003       3.79185934       1.21385017      -1.32234069 
O       5.52327004       1.19649002       9.49236003       2.84647705      -0.43268873       0.02285019 
O       3.99784999       6.11182997       6.97963995       0.27829057      -0.68691445      -1.17607693 
O       8.93099996       3.41289002       0.84896804      -1.18422446       0.47695778      -1.32695114 
O       6.65489002       0.77948703       6.78272995      -2.40586428      -0.01583144      -0.01843475 
O       6.86308004       0.79107304       1.16935999      -0.32762403       0.30989007      -0.31241261 
O       5.73093004       8.62270001       6.63040999       1.50178498       1.44725031      -0.96211341 
O       1.40705999       0.28482396       0.23665101       1.43383748      -0.00931686       2.02127526 
O       1.08881999       3.46734996       9.54494997       2.38038478      -1.23158275      -2.64255935 
O       0.97250899       2.94938000       1.13316005       1.52358195       1.27287281      -1.44660272 
O       9.51297004       6.56159999       6.47957002       0.05091952      -1.67091257      -0.97093911 
O       3.74552000       9.07715997       1.05699004       0.70040780       0.15340693       4.08521927 
O       1.33687000       3.91338998       3.70385998       0.63662463      -0.36417459       0.24131370 
O       3.25888001       0.60482795       3.77861996       3.76824844      -0.63099103      -0.33749035 
O       2.96803998       5.99967997       4.11776996       2.04232552       0.37765382       1.61862583 
96
Lattice="10.73615577 0.0 0.0 0.0 10.73615577 0.0 0.0 0.0 10.73615577" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.052487728754904574 0.004292357572017319 -0.0073582924797101126 0.004292357572017319 0.05742196550968422 -0.00064459852090734 -0.0073582924797101126 -0.00064459852090734 0.058019305851301564" pbc="T T T" energy=-926.46026202 free_energy=-926.46026202 config_type=crystal 
Hf      10.46109997       9.68657995       0.09474421       1.63403425       2.50374412       0.22249144 
Hf       4.67321005      10.00640004      10.26619998       0.44290993       1.15005150       2.01678912 
Hf       9.72923996       7.89636001       7.74714999       1.45968966      -4.30296198       1.89708609 
Hf       7.47348001       2.22626000       4.89178004       0.09087059       0.07708364      -0.15049201 
Hf      10.02330004       5.22906002      10.48239996       1.22028433      -1.18780867       0.86962214 
Hf       0.09683422       7.52556003       2.86791998      -0.34851762       0.07056634      -3.29523583 
Hf       2.82138003       4.96085002       2.40597004      -1.59322366      -1.29327217      -0.47613749 
Hf       7.87720005       4.83905005       2.77348003       1.78838736       0.06937699      -2.44707862 
Hf       7.32084000       7.81530998       0.16156905       2.54281090      -1.58853295      -0.63775136 
Hf       4.80370996       7.84379998       7.64667997       1.62716026      -2.18956887      -0.18429032 
Hf       5.23823997       7.64863996       2.81203002      -0.53850489      -0.77492283      -1.93063347 
Hf       5.10380999       4.95568003      10.60150001      -1.77074258      -1.95876983       1.15550214 
Hf       2.17094002       7.85774002       5.43646999       1.28520064      -1.98828126       2.22056265 
Hf      10.54980005       5.06286003       4.94933002      -1.69010609      -2.65638375       3.52971567 
Hf       5.25903000       5.20734003       5.07537002      -1.06929912      -2.32873795       2.21939232 
Hf       2.38148001       4.80556001       7.75345995      -1.18376236      -1.35721345       2.32883201 
Hf       2.46727005       7.23162996      10.54800002      -2.85520645       0.01208100       1.76879584 
Hf       2.50432997      10.28970003       7.94275996      -3.13087072       1.17513304       0.32855562 
Hf       5.06603998       2.33517003       2.02724001      -1.96561898       0.63290427       0.22060771 
Hf      10.34060004       2.48994997       7.50517003       0.89495012       1.30106197       0.38191149 
Hf      10.14740002      10.61950003       4.98789998       2.55937456       1.85495144       0.91642755 
Hf       7.55867001       4.85501998       7.71843002       2.59716908       2.52443042       0.85810045 
Hf       7.61082003      10.37799998       7.94784997      -2.03298794      -2.04606948      -0.75872716 
Hf       7.69252003       1.92851000      10.34889995      -0.39821326       2.84491255      -2.10796072 
Hf       8.13945996       7.98624998       4.85928996      -0.67288899      -3.50481750       1.28281686 
Hf       2.66945999       2.39060005       5.26598005      -3.65983711      -2.47730634      -2.79314062 
Hf       5.18635997       2.34647005       7.63592996      -2.07203268       0.25139449      -0.25118064 
Hf       5.47648998      10.26319998       5.10862000      -2.48711040      -2.14044936      -0.71985169 
Hf       1.61995997       1.75555998      10.38620004       2.09137170      -0.72226684       2.18823187 
Hf       2.80232003      10.54360002       2.68610995      -3.53998902      -1.93486759      -1.88330732 
Hf      10.59130001       2.22549000       2.59755996       2.24615193       2.30905600      -3.82740733 
Hf       7.69191000       0.06868488       2.23747005      -0.91180429      -1.20165092      -1.16264540 
O       9.27426003       7.00389999       1.16645004      -0.02099480       0.03637242      -1.39010573 
O       6.45972999       6.00882004       1.73394005       0.84818482       0.86279917      -1.42550233 
O       6.36170996       6.01929004       9.60740005       1.10330562      -0.04092816       0.42540572 
O       9.21270997       9.35498004       6.41657000      -1.31739078      -0.06072441       0.57461255 
O       6.17711003       8.86480002       1.35941000       1.24293920      -0.55291860      -1.18886797 
O       9.41768004       9.06268004       3.74334000       2.00251112      -0.45628332       0.52583361 
O       8.87770004       3.49126999       4.24987999       1.58999841       1.49248697      -0.99016560 
O       3.50661002       8.68165000       9.14482000      -0.09529415      -0.32679762       0.03395901 
O       6.81338003       8.87381001       3.66352001      -1.81208939       1.80939956       0.19037553 
O       1.58618005       8.69379002       3.88446999      -1.58246546       0.24220568      -0.11888564 
O       8.91360003       0.74242697       3.81044999      -2.08747274       1.32902391      -3.19297428 
O       3.56502996       3.64481001       3.68358997       3.02595925      -2.88900630       0.16984023 
O       0.63095904       0.37198203       9.15429004      -0.05974851      -1.59348432      -1.53543474 
O       1.43965998       6.13555005       1.33356002      -0.26128319       1.96732083      -1.03625415 
O       9.28166004       4.08613998       6.78133003      -3.22616757      -0.19715361       0.62819848 
O       0.84625998       5.61354001       9.28510999       1.20280807      -0.34817558      -0.10022373 
O       0.17934705       6.60615999       6.23898003       2.07627731       1.97394253      -0.39985295 
O       8.71477995       0.75162699       8.84149000       0.27703388       1.96902917       1.84268762 
O       6.20778999       3.09825003       0.77004605       1.30758545       3.20022729      -4.15267230 
O       0.89534697       0.66842404       3.48151995       0.32128244      -0.78776437       0.33388020 
O       3.13688999       0.33154301       9.57405999       1.94160792       0.41762594       1.46956770 
O       3.47605997       0.86552300       6.88108996       0.85493712       4.63354026      -0.68600858 
O       9.21121003       6.41109005       3.67197001       0.96718169      -0.07415298       1.13576048 
O       4.06449997       8.51490000       4.16238998       0.86799883       1.53247779       0.30074171 
O       8.51929002       1.73005001       1.26092005       0.39740490      -2.66582550       2.64110904 
O       9.36459995       3.38668995       9.80974996      -1.85589088      -0.90769300      -1.75780164 
O       0.72098998       1.79544995       6.07190000       2.08322291      -3.14085443      -0.89957569 
O       3.88606002       9.45283999       6.80246995       3.15198702      -3.81688848      -2.19501229 
O       6.23289005       8.51322001       9.14991001      -3.43605705       2.12327345      -0.02839917 
O       6.86565996       5.98943999       4.15619995      -2.36544266       1.44970581       2.13459637 
O       0.30567897       8.29507002       9.62811997       1.59936377      -1.36222476      -1.57657022 
O       1.37857995       9.00572999       6.80811996      -1.57477752      -0.29264827      -0.72494831 
O       3.23053998       6.15035005       9.26669995       2.64016296      -1.56690609       0.01439159 
O       0.75646095       4.02933004       6.55636001       2.56419229       1.94488008       0.33793925 
O       5.82031998       3.19230004       5.65166002       0.62025888       0.34033568       0.72371177 
O       1.02635996       5.87555997       3.73104002       1.85253641       2.11585141      -0.33131524 
O       7.03968005       2.92021998       8.01842001       0.36433825       1.09031361       1.22578703 
O       8.67894997       9.59236997       0.99827697      -1.44934975       0.69760279       0.60723961 
O       4.11489001       6.08153999       1.26887995      -0.71995780       2.52013016      -1.19587325 
O       9.05398998       6.08276005       8.96900997      -1.82236766       0.73911306      -1.35319661 
O       8.42791996       8.82037005       9.30393004       2.17289168       0.72087228      -2.41367912 
O       4.23191003       3.60680004       8.80965998       0.79155220       0.80034068       0.16636898 
O       0.98662201       9.24469996       1.68403002      -0.97544616      -1.40648950      -1.68090660 
O       5.74376002       5.64699999       7.10736003       2.41472242      -0.29633140      -1.70172079 
O       6.11470999       1.01094005       3.68397003       0.92463610      -1.63121409      -0.71525415 
O       3.14864995       1.03995000       1.07948997       1.57439017      -1.05483966       4.26848481 
O       3.35495001       3.77315001       6.22035000       1.83676500       1.88498616       2.62237729 
O       6.60140001       3.36498005       3.16825997      -0.90798067      -0.34279094       0.47469229 
O       3.63250004       3.69381004       0.92206905       1.55750091      -0.33149874       1.44172656 
O       9.12539003       1.31805004       6.04569003      -0.82666868      -0.19444078       1.60599703 
O       5.72713004       0.86903995       8.94983005       1.79535052      -2.02755259      -0.36206634 
O       3.59410003       6.29192001       6.79615999      -2.25576670       2.49480659      -1.45545890 
O       9.27933995       4.03459001       1.40893997      -1.02662266       2.23882370       2.73144431 
O       6.64847998       0.67176803       6.21422997      -0.45258864      -1.15914770       1.13995094 
O       6.02706001       0.73947699       0.74114303       0.95090779      -1.21677819       1.56429953 
O       6.34115001       8.36573003       6.14901995      -0.88326655       2.05842215       0.64688919 
O       0.31401001       0.87138795       0.72820403      -3.17549307      -2.24166922       2.95561363 
O       1.54607997       2.79091995       8.87645003      -0.97039270       3.54851915      -5.09751339 
O       0.91727697       3.14820998       0.89603795      -0.46427759       0.82445119       2.67158865 
O       8.48522999       6.66125998       6.31867000      -0.33056671       0.69697675       2.14156940 
O       3.88307998       8.92127005       1.23076004      -1.70118893       0.56619528       0.07747011 
O       1.28362004       3.29827997       3.78531000      -2.85303774      -0.23447999      -0.14079130 
O       3.66931002       0.54037101       4.33926998       0.30218789       0.22531820      -0.96495878 
O       3.88392996       6.02756000       3.91746005       0.72641435       1.54742690      -0.79172141 
96
Lattice="10.48426354 0.0 0.0 0.0 10.48426354 0.0 0.0 0.0 10.48426354" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02741541358159856 0.004864514828651282 -0.003130054168120339 0.004864514828651282 -0.02442735388340526 -0.011502231976645756 -0.003130054168120339 -0.011502231976645756 -0.01881980123698482" pbc="T T T" energy=-918.85258906 free_energy=-918.85258906 config_type=crystal 
Hf      10.22139999       9.75027000       0.15802301       2.80033843       2.85953689      -1.14300524 
Hf       5.11550000      10.06719996       9.95413996      -5.13120356       6.82986310       6.78580701 
Hf      10.18279997       7.54976001       7.91389997       2.04175309      -0.94058971      -1.68492070 
Hf       7.77968997       2.38209995       5.20919000       2.11484309       0.87483131      -2.76868600 
Hf      10.23809995       4.76638996      10.45750005       3.15635192      -3.51887650      -3.32265952 
Hf       0.09113645       7.27843995       2.51653998       0.58619416      -0.42688841       1.60674443 
Hf       2.59552999       4.91927003       2.66303995      -0.46138423      -0.18509560      -1.53647853 
Hf       7.56921995       5.06849999       2.65098997       1.98155583      -1.59806840       0.81045873 
Hf       7.54545003       7.48034999      10.34899998      -1.23806535      -1.79230473       2.33171891 
Hf       5.16076005       7.97160001       7.93281002      -3.09680832      -5.27298944      -4.62834140 
Hf       4.42295998       7.75438998       3.00749005       1.67162987      -1.68014395      -4.81570010 
Hf       5.46795002       5.09962001       0.01391450      -4.59027670      -1.46706709      -0.66226047 
Hf       2.40287001       7.67323003       5.09686003      -3.44050813      -2.02468121       6.52201086 
Hf      10.21790003       4.70436999       5.14523998      -1.69698568       0.95789263       3.68325067 
Hf       5.25346998       4.94137002       4.88999996       3.76839463      -0.61202638       6.98639101 
Hf       2.54477997       5.02026001       7.77025005      -1.17370749      -0.36937606       2.74468639 
Hf       2.37922999       7.44964001       0.07373645       4.12106133       2.26211249      -5.70224675 
Hf       2.25166995      10.44749995       7.77855998       1.00088252       1.42407741       2.24845714 
Hf       5.03286996       2.41654003       2.45137997       0.11098859      -2.79520791       0.85834998 
Hf      10.30030005       2.07952002       8.30182999       1.38923644       2.27806198      -1.47218011 
Hf      10.17670002      10.41971224       5.57731997      -0.01279601       0.45512456      -1.23414569 
Hf       7.78076996       4.95061997       7.56976996      -1.36564704       0.23842351       5.17340651 
Hf       7.67680999      10.24969995       8.19714001       2.78150156       3.28637669      -6.03216723 
Hf       7.48401005       2.58272997      10.35359995       2.82929964      -5.28895462       1.90711986 
Hf       7.49911997       7.60316003       5.08573004       1.92020278       5.95140470       6.50378124 
Hf       2.36452005       2.70866998       4.82461002       1.00032593      -5.49902443       0.39946377 
Hf       5.08207995       2.58717005       7.42584996      -5.02772698       0.38040156       4.75378619 
Hf       5.26761000      10.40354069       5.31272997      -4.98336260       9.66301331      -6.83747663 
Hf       2.54960001       2.64021005       0.45294199      -6.49248079      -5.93770918      -4.38639738 
Hf       2.08080004      10.25179995       2.77498001       4.34823933       1.93292523      -1.29884376 
Hf      10.26139997       2.36416998       2.66169995      -0.14274070      -1.53417294      -2.56056111 
Hf       7.43502002       9.99890001       2.36314000       1.68340165       5.89091193       3.69885429 
O       6.06904000       1.03951997       3.61367004       1.90282630      -1.34058735       2.19938719 
O       6.93686999       9.14535001       0.76186302      -0.45331844      -1.68784801      -0.88582981 
O       1.72166998       6.39692999       3.72828002      -0.96048786       0.27503395       0.11254085 
O       1.10989003       6.24752997       6.50054995      -1.07952075       0.26948850      -0.89742449 
O       4.23783001       4.31908997       3.47731003      -0.95156366      -4.19729636      -0.61822862 
O       0.91951699       0.67874304       9.24460003      -1.32965882      -0.28340836      -0.50092046 
O       1.21763996       3.39076998       9.33816002       0.41983283       0.35631985      -0.36337262 
O       6.95715001       6.14680996       4.25924003      -2.79237845      -4.61616347      -5.24002110 
O       3.73852996       0.70742998       1.34687004      -0.76342612      -0.20374897       0.56859703 
O       1.29137002       8.95404994       1.34533000       0.72118041      -0.57740013       0.93757538 
O       3.89149998       9.35002003       8.63724003       1.16253228      -0.82633934       0.91494318 
O       3.46587998       1.35026998       9.08168002       0.47720697       0.18502677       0.45293719 
O       9.06237996       8.32802996       9.54132995       1.40890337       3.18678443      -1.16324175 
O       4.34477998       5.89446999       1.86936002      -0.88254068       1.80500026       1.04820076 
O       1.39380001       1.51982002       6.44251998      -0.58870820      -1.78912296       0.32237593 
O       8.91338998       1.13661002       6.78026004       0.23595370       1.17325151       0.49306721 
O       8.55730004       6.46345003       6.60580997       2.11436978       3.98824687      -0.37832069 
O       6.49201000       9.05523001       9.07712996       0.00857953      -3.65329586      -1.76646373 
O       2.50902004       2.58495997       2.70832998       2.81939071       2.12388523       1.46617080 
O       8.05587997       9.61345005       4.37614995       0.89336107      -0.92435722      -1.21346977 
O       4.25483004       4.05756998       8.53384999      -2.16482448       0.62685053       0.82459975 
O       6.44812004       3.53815996       3.95329999      -0.84606641      -0.07433394       0.08177147 
O       9.36603002       5.88767000       1.28678000      -1.10500137       2.41067838       2.22517229 
O       6.48775999       1.72628002       6.49411000       0.25760081      -3.94064319      -1.97610703 
O       4.09335005       3.35814998       0.94102105       6.67785168       5.18016037       0.25990503 
O       8.71264999       0.81065699       9.26762001       2.80498751       0.34841321       3.41557308 
O       9.53068004       6.21317996       3.96195004      -0.29017471       2.74314937      -1.11193403 
O       0.80005698       8.83315999       4.37884996      -0.59306138      -0.11187338      -1.33485868 
O       8.95135004       0.92896205       1.82873004      -0.65744843      -1.29097873       0.91155448 
O       1.09814997       0.97641603       3.69752999      -2.69764699       1.10854587       1.84175171 
O       0.67257400       9.37256004       7.07583995       0.49713652      -0.51993473      -0.87377171 
O       5.92199002       9.08226001       6.21083998       3.67977575      -6.62382857       6.00771665 
O       0.96071396       1.68012997       1.14482004      -0.93705606      -3.38756365       1.07516347 
O       0.93551702       3.80239003       3.90952998       0.38891711       0.72583738       0.89450689 
O       1.92962000       6.37648998       1.43468004      -3.36557720       1.00712028       2.18681181 
O       8.17635003       4.24707996       5.94290005       3.39918067      -3.48969566      -4.33459255 
O       6.06612999       4.20869005       6.88529999      -0.96409331      -0.58374976      -1.79913645 
O       3.63999005       3.84973004       6.15706000      -1.13578533      -1.20172814      -1.73316896 
O       9.46841001       2.95360995       0.48352197      -1.22227794       2.36721850       0.41015304 
O       1.46255005       5.98521003       9.21456995      -0.81468137       0.99124773       0.19813996 
O       6.83449996       3.64908001       1.41157996      -1.08916232       1.71886336       0.21299387 
O       1.28709002       4.24444003       1.37091003      -1.72981371      -1.18314461      -1.74558699 
O       9.34359999       5.97456001       9.06391003      -1.56110394       0.98959553      -0.51338314 
O       9.66676997       1.77056995       4.56588000      -2.23670858       0.09092998       0.53236750 
O       6.67209997       3.78069998       9.23285000      -2.67036407       3.75754520      -0.33412293 
O       3.02358004       7.77540998       7.09986002       2.07642435      -0.39788488      -1.02860959 
O       6.11909995       6.65883004       9.26476997       2.95154222      -0.10567213      -1.05879429 
O       3.33032002       9.04531997       4.09021997       1.42647621      -1.03493802      -1.70307057 
O       6.26398995       1.37855998       1.21450998       0.71654260      -1.62699826      -1.69851097 
O       3.53552002       0.76912998       4.25946995      -0.17408954       2.61638289      -0.36145543 
O       8.70823999       3.84058001       3.57930996       4.11524875      -1.98533325      -0.35930449 
O       4.20907996       8.41425002       0.78339602      -0.43571148       0.45455300       1.38011688 
O       8.90477003       3.51652998       8.52563998       0.06489895      -0.56792903       0.76978971 
O       9.53391003       8.90564997       1.86881002      -2.59844225      -1.60144835       0.16357586 
O       0.36745603       3.76442997       6.88493996       0.71183720       0.81203155      -1.89740336 
O       6.57339996       6.11094004       1.33137996       2.13321554       3.76972922      -2.53241164 
O       1.21106999       8.77705995       9.42904003      -1.69480651      -1.66048823       0.09572691 
O       6.27633999       1.14301003       9.02634995      -0.51106157      -1.01149161      -0.86531340 
O       5.90861997       6.58352996       6.30930000       0.85194149       2.26627601       1.91629664 
O       3.96498995       6.17819995       9.70570003      -2.04676306       1.33421329      -0.25714959 
O       3.98038001       6.33919997       4.92951997      -2.22269857       4.21198513      -2.82842784 
O       3.84501003       0.53062001       6.67022004       2.68729772       0.49837066      -0.69993796 
O       5.93561003       8.89102002       3.39947003      -0.45409989      -1.79881020       0.42171745 
O       8.87249999       9.29281002       6.60640998      -2.03739579      -3.43647923       2.80492831 
96
Lattice="10.48720497 0.0 0.0 0.0 10.48720497 0.0 0.0 0.0 10.48720497" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.024813242456471128 0.001080193655014043 -0.013427264635317291 0.001080193655014043 -0.01615029218007174 0.010235194120990136 -0.013427264635317291 0.010235194120990136 -0.008834517166361088" pbc="T T T" energy=-929.68641476 free_energy=-929.68641476 config_type=crystal 
Hf       0.11825802       9.83766997       0.01904288      -1.55348996       1.29649638       1.37987392 
Hf       5.00341004      10.39330002      10.46840005       2.23749856      -1.95189092       2.52207316 
Hf      10.29460000       7.22043999       8.10081998      -0.91162475       0.30175263      -3.16278513 
Hf       7.42532002       2.00245995       5.61286998      -2.30863053      -1.86747008      -0.35755481 
Hf      10.27730000       5.06371997       0.06361685      -3.07321311      -0.49842751      -0.35641448 
Hf      10.15770003       7.69044002       2.84793999      -0.14034388       3.73319597      -1.74680733 
Hf       2.18593004       5.43092997       2.65928000      -1.03153624      -3.28414741      -0.95173000 
Hf       7.49918004       4.99168000       2.53695996       0.95896281       0.60419929      -0.09045667 
Hf       7.40119001       7.94820000       0.13063502      -1.24643746       1.00035468      -1.78799301 
Hf       5.13889005       7.71356001       7.29765005       3.05461602       1.27539053       1.43451401 
Hf       4.93288999       7.77706004       2.46328997       1.02757728       3.46868829      -2.66707525 
Hf       4.88939001       4.88380001       0.18966802      -2.00771831       1.48758844      -1.32980953 
Hf       2.34865003       7.80929005       5.28350001      -1.43490752      -0.14487776      -1.25893162 
Hf      10.09699998       4.67685002       5.12905997       0.07279611       6.30516388      -1.06614760 
Hf       4.64219001       4.96297002       4.68108999       2.68597316       0.09398147       1.83303275 
Hf       2.46624998       5.22132997       8.05577995       0.73625093      -0.85515596      -3.65848259 
Hf       2.75145005       7.69386001      10.13430004      -0.38902410       4.34387424       2.32715437 
Hf       2.59182996      10.41720005       7.89000000       0.47325963      -0.99016827      -0.16049841 
Hf       5.40887003       2.68157999       2.58070000      -2.50910122      -3.43003657      -0.79039371 
Hf       9.98758005       2.85369002       7.65939003      -1.99025623      -3.64488507       0.33809027 
Hf       0.08293135      10.14440005       5.79259005      -4.22896039       1.38674816      -5.60860860 
Hf       7.11702000       4.84045000       7.33601004       2.09344846       4.58348502       4.60074050 
Hf       7.94472999       9.82487002       7.89829003      -2.68437459      -0.43442547       1.77194364 
Hf       7.96925002       2.14636999      10.39570002       0.19811111      -1.10613264      -0.34944297 
Hf       7.84735000       7.77831001       4.88239997      -5.25548121       6.33510284      -0.96944652 
Hf       2.53294001       2.52224002       5.29312003       0.04923830      -1.30589526      -2.90915115 
Hf       4.83474999       2.36390997       8.05300997       1.81105615       1.28642768      -0.81040413 
Hf       5.07740997      10.08229996       5.06930000       0.89590123       0.84346529      -2.14547969 
Hf       1.80588002       2.69633003       0.08360998       3.16746455      -0.42670113       2.51650826 
Hf       2.56096004      10.29739998       2.68569003      -1.64168141       0.79063138      -0.71990073 
Hf      10.25480001       2.54676005       2.60805000       2.81222166      -3.05552598       0.47319058 
Hf       7.84701001       0.24217096       2.68875995       1.42610865      -2.83044724      -2.17329565 
O       6.01422003       8.56408995       3.93776005       1.16546807      -0.20951423       0.80004612 
O       6.43173999       9.16795999       1.49984996      -0.16706379      -0.07679826      -0.06996954 
O       0.85443296       6.42186996       3.91570001      -0.88346033      -0.65209364      -0.70605598 
O       0.91674699       6.55271000       6.50139999       0.12168383      -0.64845812       0.15455133 
O       4.31257999       3.03419999       4.38399996      -0.20206923       0.46774807       0.72426173 
O       1.45801996       0.95163299       9.99823002      -0.65617438      -3.42901457      -3.79017801 
O       0.93726301       3.44024002       8.79967998       1.53603841       1.74485240       0.41081837 
O       6.71128000       3.70832004       4.00735996      -0.34516000      -0.21761088      -1.78074845 
O       4.40073995       1.22404999       1.17233004      -0.93652894       2.00412256       2.38423305 
O       1.31694996       8.87944996       1.26322002      -1.58781761      -1.04776516      -0.85815878 
O       3.93167003       8.66642001       8.76244998      -1.26048748      -0.50435920       2.20522897 
O       4.27774003       0.72516998       8.95771996      -5.44266994      -0.19625773      -3.09839843 
O       8.99315003       8.22342998       9.14241002      -0.64848071       1.82449153       3.28223415 
O       3.51659998       6.50331002       1.54517996      -2.47075018       0.29320204       0.31303569 
O       0.69192701       0.86007099       7.02844003       1.31017957       3.93387983       4.59382320 
O       1.58648004       9.27197996       6.39758998       2.13063510      -2.46985310       1.31860258 
O       8.14301001       6.18928001       5.61893997       2.45225343      -6.26969213       2.84276624 
O       6.50778995       9.41199002       9.33787998       1.61298852      -1.53706337       0.30686671 
O       1.33432002       3.50151005       3.33222999       0.74526087       2.54609894       0.14402775 
O       8.68329004       9.60494001       4.28700002       2.56118368      -2.52240009      -0.20168920 
O       3.79532997       3.31151996       9.92546004      -2.46094626      -0.80825844      -1.56869974 
O       6.70061997       0.56744200       4.35376996      -0.32443628       2.82043936      -0.70284683 
O       8.31055999       4.88013998       0.57869205       0.30764438       1.03880695       1.63275906 
O       5.83564999       0.85768096       6.79776998       1.66967741       2.00585798      -0.68381084 
O       6.24276003       4.07209003       1.17674001       1.92422319      -2.47955362       1.99517531 
O       8.92363004       0.86678196       9.19067004       1.04626110      -0.75026734       0.29732967 
O       8.28569997       6.76251000       3.06883000      -0.44522627       1.52994471       1.24693613 
O       1.11241003       8.84607999       3.88166001      -1.26778162       1.34613564       0.36428804 
O       9.29892998       0.81390999       1.22370004       0.00872483      -0.19685980       0.34485601 
O       1.18662997       1.18044996       4.50984998      -0.58230104      -0.88361779       0.53513230 
O       3.93257004       9.42345998       6.41469996      -0.80017896      -1.61587669       1.77795033 
O       6.67133005       8.98050005       6.24051996      -0.17052769      -0.90812439       2.03625403 
O       1.56656001       1.28117002       1.78349005      -1.27612499       1.97884764       0.29619910 
O       3.72239995       4.10289001       6.74419997      -2.29491340      -0.06189826       1.47096176 
O      10.06320004       6.33534003       1.54285998       2.97355990      -1.42556747      -2.03155111 
O       8.67265004       0.77769704       6.88229999       0.01257973       3.92609663      -4.25192210 
O       8.92973999       3.33790997       5.94857998      -1.26242125       0.13778159       2.10710979 
O       6.10968002       3.50895995       6.48087999       0.92280734      -2.83099716      -1.68635889 
O       1.68265998       4.74851003       0.62067799      -0.20531158      -0.91592883       2.31212174 
O       9.14278997       5.62714002       8.00521002       1.17344180      -0.05214322      -0.37318800 
O       9.98725002       3.04498996       0.75344905       1.65067861       1.99885177      -2.14126617 
O       3.98812003       3.84716004       2.04209005      -1.96621514       2.58738641      -0.50112386 
O       6.67591002       6.88020004       8.64853995      -1.20941295      -0.30193596      -2.71729154 
O       8.90114002       1.66148002       3.59156997      -1.91932843      -0.31622253       2.75753338 
O       5.60767000       4.39443997       8.65555002       0.57752835      -0.21652270       1.21755336 
O       3.40364995       6.94812996       6.63823001      -0.61777010      -2.21308768       3.29347542 
O       3.39691004       6.01711995       9.55541995       1.93590870      -1.43444617      -1.94393518 
O       3.60150995       8.88943997       3.77928003       0.40098411      -3.04130536       1.31868038 
O       6.77072998       1.44316997       1.48186996       1.18086308       1.32942943       2.69065727 
O       3.71101001       0.87862002       3.81603003       1.78647020      -0.39490616       1.63217705 
O       9.21176998       4.14669003       3.56276005      -0.66067059       0.47146684      -3.21735936 
O       3.62593004       9.28475998       1.20242003       1.20427024      -2.01846996      -1.48288657 
O       8.37765996       3.60175001       8.87814000       0.47171393      -2.24496014      -2.08171832 
O       9.07190003       8.80331998       1.33090004       0.09292565      -0.15091239      -0.34534317 
O       0.89322902       3.62467996       5.91942996       1.73414715      -1.69196009       3.65575019 
O       5.70262996       6.92573999       0.49965397       0.30035907      -0.77908850       0.95397461 
O       1.37112004       8.82598000       8.97185000      -1.09428567       0.16168938       1.02985798 
O       6.28796995       1.33113998       9.72043004       1.53658153       3.42136090      -2.05824499 
O       5.55364003       6.56343999       5.70713002       1.09226399      -1.94774029       0.44594522 
O       1.03734995       6.16063997       9.24670003       0.01931699       1.12344694       0.56932118 
O       2.74251998       5.33610005       4.62565998       1.90089250       0.89609700      -1.48959418 
O       3.36226996       1.40880004       6.71353003      -0.83896998       0.99406972       1.06085932 
O       5.54571002       6.04832998       3.02343005       1.03760901      -2.82609301       1.71684164 
O       9.31583000       8.82776996       6.93121997       2.10665683      -1.60483875      -2.58416878 
96
Lattice="10.49011495 0.0 0.0 0.0 10.49011495 0.0 0.0 0.0 10.49011495" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010998324923254305 0.0005955263343710377 0.01639362888523807 0.0005955263343710377 0.0008041948329995254 0.011994015641299765 0.01639362888523807 0.011994015641299765 0.0023832520961973584" pbc="T T T" energy=-929.03846654 free_energy=-929.03846654 config_type=crystal 
Hf       0.08412495      10.41010002      10.29810000      -1.74837693      -0.27199668       2.18885318 
Hf       4.65174004      10.14680003       0.27424098       0.32002224       1.31286264      -5.96950924 
Hf      10.24869996       7.58604002       7.79664996      -3.40050552       3.08406787       0.37577545 
Hf       8.01692003       2.28498999       5.22962998       1.47742319      -0.79855804      -1.67765333 
Hf      10.07579999       5.17086005      10.29059999      -0.46209448      -2.60012087       1.32504777 
Hf       0.08104768       7.04825001       2.78419001      -2.62599283       1.31876963      -0.23157015 
Hf       2.27913996       4.73758998       2.72484995      -0.55305021      -3.89538223      -0.36408172 
Hf       7.87805000       5.12414002       2.68398004      -3.17251328      -3.82293203       2.25580094 
Hf       7.54678003       8.04810997      10.41104256       1.81830985       1.62826120       0.34114860 
Hf       5.02236996       7.57101996       7.66968002       0.63758095      -2.86087443       0.27100897 
Hf       4.86472997       7.47673995       2.67978997       0.91972769       0.87135249       0.96395418 
Hf       4.96695005       5.14692004       0.07278503       0.99137200      -2.30141394      -2.03958193 
Hf       2.48850000       7.44682004       5.24399997      -5.34933141      -1.10212205       1.66206376 
Hf      10.29319997       5.08684000       5.48459002      -2.06473137      -3.12728501      -1.05293950 
Hf       4.94618004       5.01135995       5.02357999       0.61771819       2.75291833      -1.25153518 
Hf       2.14244999       5.12462005       7.88827996       2.00836922      -0.46389092       3.26945144 
Hf       2.47099997       7.63143998       0.17271397       0.29011860       3.88287021      -2.96509253 
Hf       2.84861998      10.22929996       7.40436004      -1.04670935       3.93934560       4.98501364 
Hf       4.68325003       2.15117000       2.41592005       2.27933748       3.72557409       2.06105286 
Hf      10.37445996       2.26765004       7.92094995      -0.83148008      -2.15458017       0.09607645 
Hf      10.38839996      10.20250002       5.32003998       1.61444093      -0.19762231      -1.53317679 
Hf       7.53752996       4.90607004       7.95942004      -0.03657988       2.13824124      -1.20370522 
Hf       7.48450001      10.19759998       7.72620002       0.92025474       3.20134559       2.87720345 
Hf       7.38982998       2.09431001      10.45570003       1.92877689       0.12479456      -0.48781132 
Hf       7.62798999       8.14428995       4.91117002      -0.09882304      -4.65867516       2.88622482 
Hf       2.33772998       2.25951002       5.37280998      -1.53692188       2.10611727      -2.48065385 
Hf       5.43670002       2.41617999       7.32391996      -5.16230556      -1.83586635       3.06986369 
Hf       5.01842001      10.41620003       4.87109998       2.54896563       0.17778064       4.40686366 
Hf       2.44188004       2.72499996      10.39900001       3.83372787      -0.63364560      -0.22293464 
Hf       2.30102004      10.35730002       2.54889998      -4.26147955       0.45437951      -0.52465937 
Hf      10.14059995       2.56396001       2.55526004       0.47022307       1.40603386      -2.19886995 
Hf       7.42868001      10.18100001       2.51015002       2.00886326       2.02635773      -1.40132004 
O       6.01970001       9.08726002       3.87052995       1.29992255      -1.52541288       0.16478444 
O       6.32198998       8.78379999       1.47749000       0.44253856       0.49291294       0.45598290 
O       1.43057002       6.09940999       3.97931003      -2.86335370      -0.10894487       2.58191550 
O       3.72233001       6.31378997       6.22453000      -1.08631032       1.94394532       2.79981088 
O       3.50647995       3.37240999       3.67254005      -2.52810342      -1.27269627       1.72745126 
O       1.34633996       1.66813000       9.28163997      -4.19732793      -1.11841442      -1.64512143 
O       1.41895998       4.31543996       9.79992004      -1.95666363       3.29713793      -2.43138215 
O       5.94231003       4.02108995       3.88747998       3.32359693      -3.21293861      -1.09365264 
O       3.23620004       1.30215003       1.26812996       2.27382173      -1.75453242       0.92617510 
O       0.78384499       8.70982002       3.78379002      -0.43033527      -1.66909073      -0.35250977 
O       3.79202004       1.26415001       9.17094995       0.65597493      -0.01875802       0.08091667 
O       3.68521001       4.03598004       9.21654996       0.75610147      -0.93662826       0.30817488 
O       8.76912001       9.14455000       8.74972998       0.95148774      -2.53764360       0.42250237 
O       1.69036002       6.62265000       1.57705996       0.69914901      -1.01925649      -0.23021816 
O       1.06518998       0.96637603       6.66361002       0.01664542       1.49146689      -0.02947142 
O       0.89974996       9.50015000       8.86301000      -0.45497558      -1.56672371      -2.11577712 
O       0.93100704       6.34663997       6.51980995       0.48220184       0.26318652       1.72558295 
O       6.38598000       9.35197996       9.47534004      -2.04839636       0.16784613      -0.67333982 
O       0.81380004       3.21720003       4.26015999       0.33506205       0.97022475      -1.04789785 
O       8.67736004       9.12914999       3.77968000       0.20717827       1.23565490      -0.52089921 
O       3.55192995       6.24880003       8.75524998       0.68339458       3.89435903       0.82819378 
O       6.51793002       1.40504002       3.39924003      -1.15992003      -1.44345276       1.12482685 
O       8.58220001       6.54867004       1.74655998       1.11873672       2.73009004      -2.14703614 
O       6.70370995       0.83884603       5.78392996      -3.36531655      -0.69614822       1.76812395 
O       6.17527996       4.29666003       1.54551996       2.57339443       1.14693782      -2.83607829 
O       8.87655002       1.17667997       9.13499005       0.82672188       1.07605216       0.51870084 
O       9.08665002       6.09208002       4.22456997       0.25388749       2.28000172       0.04166857 
O       1.77836999       9.11334999       6.37032004      -2.41463563      -4.34881954      -1.56699797 
O       8.24679999       1.23825999       1.57946000       0.79651714       0.49006419      -1.88273816 
O       1.79063000       0.19638702       4.50030998      -0.95319379       2.89710810      -0.48944524 
O       4.37277997       9.31887998       6.58866004       0.64885931      -1.47779984      -0.40472720 
O       6.68017003       8.78523996       6.71159999      -0.01383433      -2.77808588      -1.93212325 
O       0.94042202       0.98138204       1.44045003      -2.44812599       0.04673287       1.59322271 
O       1.54700002       3.64088004       6.68548002       0.05999231       0.30702220       1.15433714 
O      10.41630000       4.89361995       2.22934003      -0.98880218       1.29536257      -0.36308173 
O       8.93756996       0.69856602       6.52226002       1.21717029       0.74312701      -0.36287673 
O       6.89485999       3.28660998       6.63399999       3.06417665       2.70915683      -0.47326209 
O       4.18884001       3.69197005       6.04069000      -1.64323200      -3.10567604       4.21697156 
O       1.33820005       3.31448997       1.45318996       0.97741175       0.22934079       1.86235512 
O       8.67605004       6.63987005       9.69607997       2.93223303      -3.41443532      -2.05323289 
O       9.04298996       3.28492998       0.44432004      -0.48315007       1.97029753       1.18087121 
O       3.94552997       3.85892002       1.49463997      -1.77533251       1.92537844      -3.09202084 
O       6.29966996       6.62601995       9.33201004      -0.90299965      -0.76365096      -1.99106141 
O       9.38494997       1.21352000       3.73172999       0.41952978      -2.61061065       3.92108480 
O       6.35005996       3.83164005       9.14205000      -0.06335631      -0.41559865       1.13806240 
O       6.07850005       5.90111000       6.51705997       1.05963038       1.27768236       2.29404624 
O       3.31279005       9.35801000       9.12721005       2.20909822      -3.38810757       1.83540393 
O       3.61526003       8.19787000       4.14491003       4.59313230       6.42991258      -4.21318367 
O       5.86567995       0.96223601       1.09587000       0.07205046       0.74760981      -0.98806752 
O       3.88506002       0.76109896       3.72886000      -1.30396747       1.29457055      -3.97913578 
O       8.68740003       3.56762001       3.88567998      -0.00464127       1.31911115      -1.71271719 
O       3.57565995       9.15221996       1.55197002       1.32329641      -1.98939502       1.48690555 
O       9.66354005       4.00304003       8.61167000      -1.35988091       2.89057640       1.61909075 
O       9.24422005       9.17685998       1.13040996      -1.90598933       0.13669828      -1.43001886 
O       9.53382002       3.38021002       6.42856001      -1.21259263      -0.29251812      -2.62295203 
O       4.76808003       7.26604001       0.62405096      -3.32105989      -3.36421777       0.75901391 
O       1.37737003       9.24713997       0.94818103       0.42011883      -2.76389207      -0.96731404 
O       6.27421003       1.22544002       8.73760005       1.74290932       0.12636570      -1.24632490 
O       8.72181001       6.05618002       6.78589004       2.34963412       0.32038731       0.56020165 
O       0.72188995       6.76159000       9.24654004       2.59982486      -1.42663180       1.62579944 
O       3.65715996       6.03901997       3.74167001       1.52759606      -1.35360859      -2.72387750 
O       3.82729998       1.36126005       6.14875004       2.80088434      -3.21845590       2.58753494 
O       6.30053004       6.32476997       3.50142005       1.23276489       3.04983577       0.20061083 
O       9.46936005       8.50636005       6.16395000      -0.39548573       0.96988173      -1.32208822 
96
Lattice="10.49434056 0.0 0.0 0.0 10.49434056 0.0 0.0 0.0 10.49434056" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0020515262220957755 -0.002390768296249003 0.000670154829411926 -0.002390768296249003 -0.026573885199211614 -0.006453981424867388 0.000670154829411926 -0.006453981424867388 0.00018943867115502478" pbc="T T T" energy=-924.71418014 free_energy=-924.71418014 config_type=crystal 
Hf      10.23720004      10.48489996      10.03719995      -1.33851914       0.90875980       2.41702771 
Hf       5.24971998       0.02595943       0.13734195       0.54741557      -3.78804882      -0.66138299 
Hf       9.97613002       8.13606001       7.59860002       1.35444682      -3.97940946       1.10485369 
Hf       8.12138000       2.60474003       5.23762998      -1.61578091      -1.07107313      -0.98826406 
Hf      10.10830005       5.04384002       0.03487626       0.91318744       1.67175334      -1.99829435 
Hf      10.27079998       7.47944004       2.42965004       1.25640637       3.12340127      -1.57140707 
Hf       2.11351003       4.89321003       2.17270997       3.42132311      -1.64383296       1.51953853 
Hf       7.30588001       4.59002003       2.25781004       2.32737234      -1.88810402       2.50841305 
Hf       7.52385996       7.42890003      10.35339999      -0.89040885       1.29595594       1.08506823 
Hf       5.38684995       7.99624003       7.75244999      -1.31426544      -1.31762994       1.81981181 
Hf       4.88879002       7.44853000       2.63778996       2.82502620      -2.78021120      -5.02139818 
Hf       4.87909000       4.80028999       9.97854005       0.16373364       1.63151378       1.96254361 
Hf       2.42724999       7.18223003       5.50467999       3.21850184       3.18900892      -0.30504363 
Hf      10.20670003       5.42320004       5.32102000       1.00713232       0.43140761      -2.58490837 
Hf       4.83172998       5.11169999       5.02825005       2.71444865       0.32939577       0.47346049 
Hf       2.26297997       5.07645003       7.96968001      -0.40163494       2.55744169       0.59368675 
Hf       2.72163996       7.74169004      10.29570001       0.20562196      -0.12713885      -1.77646724 
Hf       2.25826004      10.20339997       7.57694002       2.92755312      -3.03806848       2.77579750 
Hf       4.85448003       2.65912003       2.99804997       3.20335866      -3.01632370      -0.73763342 
Hf       0.06724007       2.58320995       7.56949995      -1.11132986      -3.14198556       0.33095258 
Hf      10.46190003      10.25549997       4.91267000       4.03522882       6.64624429       1.29585373 
Hf       7.23087004       5.09035996       7.88524002       4.24584092      -1.67024802      -1.56166775 
Hf       7.84323999      10.22190003       7.47029999      -1.74860822       3.40866887      -2.17680564 
Hf       7.44479003       2.04442001      10.22219996       4.76795491       0.68753021       3.77453414 
Hf       7.87961999       7.80170004       4.92727004      -2.32395005      -2.31837101       0.54975766 
Hf       2.35714002       2.49726004       5.04801005      -1.30635184      -0.96736950      -0.02340688 
Hf       4.97189995       1.87233004       7.59988001       4.23763330       2.91535189      -1.52021532 
Hf       5.10381003      10.03549997       4.94870001       0.79865116      -0.18984694      -0.22441493 
Hf       2.58489996       2.25793996       9.99134997      -1.98292055      -0.18119590       2.67708122 
Hf       2.74853999      10.10340003       2.49766995       0.51611714       1.09506244      -1.45004200 
Hf      10.24889997       2.51365000       2.18824998      -3.63268692      -3.55797097       5.13552661 
Hf       7.97804998      10.20840000       2.78232002      -0.87479952       3.65666771      -3.55928950 
O       7.28763004       9.56920997       4.49502001      -2.71414505       1.38508804      -1.07566078 
O       6.78080996       8.47663998       1.87962003       0.85226281      -0.02279538      -0.12506578 
O       1.25318997       6.59538000       6.97523000      -2.20677255      -2.81257750      -0.23065464 
O       3.80770996       6.55014005       8.77733999      -1.23057952      -3.03034241       1.37432181 
O       3.90954998       4.47356003       3.34987998      -0.30175264      -3.50074545      -0.89258066 
O       9.25054995       1.10915000       1.12210002       0.74064115       0.96276867       0.14061638 
O       0.91536403       3.87852000       9.14893997       1.05046433      -1.37866073      -1.49760506 
O       6.31637001       3.98897997       4.10622998       0.68898804       0.14150913      -2.19553982 
O       1.91538999       1.00557002       1.21991997      -0.22485371       0.79992896      -1.94298708 
O       1.79470004       9.99130001       4.12934996      -1.07282433      -1.51113550       1.14693357 
O       3.71278005       0.95201604       8.96538000       0.75144250       0.28518257       1.56390831 
O       3.90343000       3.42723996       8.44377003      -1.40520274       2.45621769       2.75989506 
O       8.51514004       9.97885005       9.17466002       4.26225012       2.22228837       4.67625207 
O       1.09077997       6.89484996       4.15041000      -3.01200799       0.60500728      -1.21168533 
O       1.19528996       1.21296999       8.81025003      -0.32830080       0.38977770       1.31768526 
O       1.06700998       9.21709001       8.92819005      -1.24661575      -0.87649246       2.34393123 
O       1.03020003       6.28200996       9.47304005       1.97992459       0.34480019      -1.10787822 
O       6.11391004       9.03558000       9.50732999       1.35155682      -2.77027762      -0.39765129 
O       1.39141995       4.42968004       3.95588995       0.07681767      -0.93633758      -0.49245602 
O       9.56422999       9.17372005       3.74326999      -1.71430967      -5.39951567      -3.48691779 
O       4.09959000       6.08793004       0.85664001      -2.40298965      -0.17178286       0.65965048 
O       3.59192995       1.16411999       3.86438003       0.38903754       2.11693757       0.97523716 
O       6.60249999       6.00061996       1.23919996      -0.73420784       0.17541237      -0.61128315 
O       7.19542005       1.62864998       7.19384002      -1.09910731      -1.86046282      -2.47478491 
O       6.24550005       3.09498000       1.52616004       0.20783425       1.09940375      -0.87241764 
O       9.26580998       1.86454995       9.19916001       0.09070846       1.60585412      -0.95638940 
O       9.23198998       4.14370002       6.28694996      -0.26870670      -2.43988812       2.67304692 
O       1.01742002       8.97177000       6.63856998       1.43370384       0.71374729      -3.71120972 
O       6.71480003       0.62981596       1.42868997       2.69852040      -0.17206305      -3.83794216 
O       4.27619003       0.68305805       6.30869004      -0.51126571      -1.72076755       0.49552304 
O       3.92041005       8.47252998       6.15731998       0.32919427       1.01029087      -0.38488378 
O       9.26408996       9.41657000       6.26659997      -2.13215801      -1.70485188       0.74346063 
O       6.72153005       1.45791997       3.82110998      -3.70277196       0.30623944       1.42603707 
O       1.32441002       3.64280998       6.46412004       1.11609753       2.68951063       1.09811595 
O       8.97697005       6.38571000       4.10998003       0.64515047       0.32859324      -4.74304859 
O       1.70651001       1.17199998       6.58653001      -0.56269786       3.30707821      -3.12371935 
O       6.77122002       3.71152996       6.59844004      -0.77842384       0.70252507      -0.62005524 
O       4.27702002       3.16655004       5.94008000      -1.15722384       0.39218050      -1.55133367 
O       0.98930201       3.41802005       1.11170002       2.68172480       3.21518991      -0.93600101 
O       8.11627996       8.27549002       8.14777998      -1.42645941      -4.42557317       0.32288135 
O       8.93981001       3.74327996       1.11038004      -1.36088506       0.71890456      -0.47818311 
O       3.70146998       3.50945997       0.86320904      -0.76909567      -0.28663817      -1.50526252 
O       6.32767997       6.21970002       9.30612000      -2.41731481       0.82785971      -0.17064906 
O       8.93821004       1.22657002       3.82708000       1.10843927      -1.95484441      -1.06148427 
O       6.79230000       3.69062996       9.34571001      -2.57080715       0.40868602       0.81798848 
O       6.36646002       6.26075997       6.71159002      -2.93279179       3.29548023      -1.71856274 
O       3.83043000       8.95013004       8.66516000      -2.56453363       0.43100851       0.30847206 
O       4.17166996       8.82560997       3.60660996      -0.43382028       5.55526884       0.83056009 
O       4.60430996       0.74068604       1.76651004      -4.00117872       0.85093984       0.92457726 
O       0.67387802       1.77456004       4.26684996       1.93760131       0.92017765      -1.68299022 
O       9.22015005       3.76821997       3.61817997      -0.98996412       0.52538107       0.45290193 
O       4.24089997       8.51443997       0.72720900      -0.27409489       2.20667631       1.71910149 
O       9.07506002       6.64485997       0.96646496       0.55020995      -0.22427004       1.42446398 
O       9.81422995       9.20120000       1.05013004      -1.22570934      -1.49328011       0.39014990 
O       9.57984998       1.24218004       6.14698002      -0.54757678       2.49651478       2.93454954 
O       3.56451999       6.60691002       3.89182001      -0.29197076      -1.08328001       0.75296426 
O       1.58002004       8.74437002       1.62622001       1.10538327      -2.39113675      -0.48683876 
O       6.43390001       0.92721802       9.13697999      -3.73185460      -0.33830722       0.16382321 
O       8.74269995       5.69317996       9.19568995       1.08070732      -0.11968200      -0.17481617 
O       0.96084702       6.17006998       1.28369995      -0.21737443       0.03972723       2.04882711 
O       3.74997997       5.81349999       6.47242998      -3.21912704      -0.44079158       0.30988078 
O       6.36291996       9.19671000       6.45923996      -0.88053078      -0.01685925       1.07097531 
O       6.11968004       6.86236998       4.05874005       1.52261083      -0.53277355       1.33857413 
O       8.80383001       6.79126001       6.31595999       3.86503715      -0.78735858       2.68996613 
96
Lattice="10.49815671 0.0 0.0 0.0 10.49815671 0.0 0.0 0.0 10.49815671" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.035421849828056115 0.0035391367570753165 -0.009484315919185332 0.0035391367570753165 -0.0219207670016202 0.003384378569506586 -0.009484315919185332 0.003384378569506586 -0.03261153205687821" pbc="T T T" energy=-921.47205163 free_energy=-921.47205163 config_type=crystal 
Hf      10.31180005      10.23300004      10.04130003      -1.66016423      -1.85266063       3.29163325 
Hf       5.36321001      10.44459994       0.01444326      -2.24159378      -4.63006755       1.18469707 
Hf      10.48537510       7.70362004       7.47285995      -2.57186093       1.57892792      -1.26601006 
Hf       7.20582999       2.54271004       5.17302005       1.01519791      -2.60259172      -4.10374582 
Hf      10.36939997       4.59937001       0.33215202      -1.18730821       4.90340441      -2.99618534 
Hf      10.43579997       7.56976004       2.61147002      -1.08728700       2.50056589      -1.46629860 
Hf       2.41482999       4.61569999       2.29924004       0.27421760       1.59328667       2.68117515 
Hf       7.25895004       5.20757998       2.21999995       1.86103943       4.22276773       1.45754605 
Hf       8.11790995       7.50215999      10.31660001      -1.90491337       0.29336351       2.60245615 
Hf       5.18763999       7.80157005       7.87830003       4.95683277      -4.06317702       3.09590089 
Hf       4.93758996       7.66557000       2.89705001       1.56664562      -0.73588759      -2.85522380 
Hf       4.89354001       5.17632004      10.12850003       4.61763305       2.11778123      -6.38068449 
Hf       2.58604002       7.42982003       5.04790995      -3.16341250       2.85383920      -0.61299513 
Hf       9.50751001       4.94664000       4.64070996       0.05279943      -0.46107038       1.68279247 
Hf       5.01073996       4.98371004       5.16809998       0.98832130       2.44468735      -1.23425848 
Hf       2.29074997       5.13269999       7.40209996       1.16490459       2.06935028       1.57929483 
Hf       2.46338995       7.35750999       0.12690497       0.24843064      -1.03398008      -0.83487825 
Hf       2.70601002      10.03020001       7.96127000      -1.42516256       1.31382378      -0.09482677 
Hf       4.63751002       1.79383998       2.60858996       3.05422940       0.46639826       1.44391228 
Hf       9.94516998       2.28936999       7.52805002       0.62577616       0.47057141       2.15322705 
Hf       0.06984329       0.12564005       5.09169996      -8.20867439      -5.64588228      -6.60927994 
Hf       7.76249003       5.10878004       7.83219002      -1.19994270       2.78061757       0.24210258 
Hf       7.52959997       0.01793222       7.64363000       2.07090360      -3.09740596      -1.10644471 
Hf       7.53979998       2.89003998       0.05884332      -6.88244660      -5.01740699      -1.97161622 
Hf       7.70607000       8.01577003       4.91560997      -0.18612906      -0.06107423       0.98856287 
Hf       2.63361000       2.39351002       5.36286000      -1.08291585       0.54510091       2.45528994 
Hf       5.15588002       2.61969995       7.91194000      -1.28940646      -1.00686435      -0.71002777 
Hf       5.04271000      10.39659996       5.23127002       0.13732606      -1.06880118       0.77418632 
Hf       2.09605000       2.35903995      10.21759998       3.29314573      -2.74885483      -4.60895684 
Hf       2.21127000      10.10819995       2.48833000      -0.66853149      -1.39907013       0.18084306 
Hf      10.46470003       2.30023002       2.34068004      -6.04464286      -2.37424904      -1.42664356 
Hf       7.63676998      10.44566866       2.42212002       2.11355053      -1.09355310       0.02580239 
O       6.24400998       8.86796997       3.61980002       2.61397933       2.19726342      -0.52109312 
O       6.63348004       9.37319996       0.94986503       2.56964671      -0.84121819       1.13395872 
O       1.13772996       6.43924997       6.01771003      -1.68886659      -3.77772738       4.07569600 
O       3.75665998       6.30922999       6.03895998       0.61753893      -2.11397351       0.02527053 
O       4.93717004       3.12093003       4.12498004       0.30756747       1.23786462      -0.14848610 
O       9.12505996       0.64038903       1.27106999       2.80723045       2.41285985      -2.30622075 
O       0.39846405       3.22110995       9.48039002      -0.69044772      -2.68394544      -1.53618181 
O       6.25381998       3.93281999       6.23897002       3.96047915      -1.57921855       1.29269877 
O       1.32349999       1.01602000       0.89326096      -1.07638200      -2.02569099       0.58601455 
O       0.73830103       9.13604996       3.81201004       3.96799847       1.85024419       0.26913453 
O       3.37826001       0.38054096       9.56427995       0.71419607       0.69442311       0.84015830 
O       3.94317002       3.57184003       9.26228000      -2.38331892      -2.07925592       0.52149208 
O       8.77664000       0.56101499       8.98536005       2.65696527       1.75263476       1.60727307 
O       1.46819000       6.82101995       3.62538000      -0.13620745      -2.20385044      -0.57156771 
O       1.15576002       0.70023598       8.51195995      -2.98103592       1.60350944       2.19553148 
O       1.50292000       8.42195001       9.14388998       0.68525209       0.64668579      -0.40317696 
O       1.65927996       5.17734004       9.33449997      -0.47173260       1.91131187      -0.20393109 
O       6.86286004       8.97517998       8.44024998      -0.66649727      -0.20159764       1.33889056 
O       1.94693996       3.34509003       3.78077004       2.62851589       3.41561889       0.63773067 
O       9.11622996       9.41202004       4.15336002      -5.20820450      -2.42699982      -0.82794256 
O       3.77454002       6.32153005       8.35339001       0.50469648       0.14691652       2.99927218 
O       3.37805004       0.91657202       4.38999005       1.47982572      -2.08075654      -4.19668105 
O       6.09339996       6.66771002       1.62774004       0.48573946       0.20847685      -1.13639654 
O       6.30097004       0.93257205       3.58665997      -1.65463899       0.49499338       4.08867567 
O       7.66027998       3.91111001       3.64771000       0.93691770      -0.00846735       3.53870244 
O       8.47052005       3.10998003       8.95072999       0.97761038       0.05134629      -3.08973486 
O       9.18109996       3.94965001       6.69852001      -0.59719783       0.95246279      -2.20655147 
O       4.28287998       9.21283998       7.10920003      -3.40622675       2.12527727      -2.16760930 
O       5.87821997       1.35662997       9.40312002       2.02084950       3.24271544      -4.37287439 
O       3.85822996       1.15047998       6.78759004      -0.53844616      -1.06082626       0.80345765 
O       6.20402995       8.98792999       5.92802995       2.19859512      -0.26974562       0.89042977 
O       1.31321999       8.70891996       6.32958003       1.09047337       1.88409902       1.19384726 
O       6.63650005       1.36997995       1.24210999      -1.71533634       1.80427100      -0.06941080 
O       1.38757003       3.64904999       6.64770998      -1.72126868      -2.93299607      -0.23476671 
O       9.03070998       6.47361002       3.71367003      -0.01689094       1.80804928       0.53229514 
O       1.18348996       0.87670705       6.16046995       5.61936127       5.57294544       5.01499265 
O       6.10912000       4.15568001       8.67104996       2.56821541       0.10230749       0.70863343 
O       4.04127004       3.45565000       6.40651997      -2.61527360       3.29917201       0.07070796 
O       1.29037999       3.30550001       1.10365001      -3.62002139       5.81732712       2.60376971 
O       9.46324002       8.17067002       9.24183999       3.03016502       2.09306216      -3.36859446 
O       8.65031001       3.59958005       1.24665002       4.85564380       2.38972234       2.39039773 
O       3.17262999       2.59673995       1.72751000       1.79058216       1.63118208      -1.84074421 
O       6.57232996       6.63369001       9.34312001       0.26662645      -2.64727489       0.22187380 
O       8.78704000       1.51583000       3.54214999       0.65498654       1.21967266       0.56253063 
O       6.16156995       4.33781998       0.89669502       0.45091938      -3.65899246      -0.93707681 
O       6.31237996       6.44418998       6.84760003      -0.05226789      -1.59472097      -0.23768745 
O       4.98525999       8.39982000      10.02129999      -3.75413049       0.22505721      -1.91689222 
O       3.69178000       8.78805002       4.09340001      -0.10035511       2.27765484       1.28655109 
O       4.24875005       0.07884326       1.75400998      -1.89589542      -0.78246743       0.38386195 
O       0.88736604       1.48897005       3.61367004       2.43044347      -5.86720938       3.47626616 
O      10.32720000       4.23385002       3.07071000       0.35769543       0.21178323      -0.41633316 
O       3.29803005       7.96429998       1.74274997      -1.01877121       1.80553364      -0.84099834 
O       8.88495001       6.29011001       1.41241004      -0.40521995      -1.30633679      -1.89508783 
O       9.28429002       8.81038002       0.98909003      -1.73885116      -1.15968266       0.65799172 
O       8.62868003       1.42211002       6.08573998       3.32651210       0.92894606       1.98122952 
O       3.65465999       5.42267000       0.88018603      -5.00293012       0.90044693       2.76445222 
O       0.87984495       9.13525000       1.48600001       3.02080289      -0.79387259      -2.14423399 
O       6.39998004       1.05365999       6.44363999      -3.51353643       2.59416928      -1.20893478 
O       9.30524003       5.66801003       9.19810005      -0.95279582      -0.45986835       0.27133065 
O       1.05036000       6.20212002       1.42011999       0.44749438      -1.48856055      -2.71610701 
O       4.05071996       5.97549002       3.26033999      -1.55830890      -3.40032031       3.11522699 
O       9.17473997       9.49649997       6.92535998       1.50762736      -0.76961627      -1.04479523 
O       6.60445999       6.36848001       4.18338002      -1.65216819      -1.25324536      -0.23913129 
O       8.74662997       6.85345002       6.31581999       2.04550930      -1.30345759       1.15754988 
96
Lattice="10.50211964 0.0 0.0 0.0 10.50211964 0.0 0.0 0.0 10.50211964" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03180666086898377 -0.011846624069774967 0.0016491244196789618 -0.011846624069774967 -0.04418716784461021 0.008035621112466055 0.0016491244196789618 0.008035621112466055 -0.006450753072928625" pbc="T T T" energy=-929.66315198 free_energy=-929.66315198 config_type=crystal 
Hf      10.22020001       9.94118001      10.33169996      -3.08892097       5.05792586       3.14087876 
Hf       4.96648000      10.23070002      10.35549997       0.45844091      -1.03136081       0.90341920 
Hf       0.05000385       7.82214002       7.68205004       2.46764501      -4.15587599      -0.93624942 
Hf       7.55271003       2.10620997       5.32071996      -1.63572180       1.74548697      -4.43556339 
Hf       0.15973199       5.34418999      10.28520004      -1.19945922      -4.61795826      -0.88077480 
Hf      10.14160004       7.76395996       2.37184995       0.80736769       6.57408894       7.96989866 
Hf       2.39956000       5.40531002       2.55371001       0.19796613      -0.33706542      -0.56368300 
Hf       7.63281001       4.81485995       2.16564997      -1.03859027      -0.29995500       2.32958629 
Hf       7.96288995       7.33480995      10.45029998      -0.36116515       3.75398119       4.34559859 
Hf       5.35262004       7.58723995       7.59868001      -1.11842098       1.67608358      -1.30953757 
Hf       5.10418001       7.59557002       2.45731998       2.55712928       0.66946370       0.04797694 
Hf       4.97510003       5.11731995      10.37370004       0.07724878      -3.85416047       2.20225361 
Hf       2.37027999       7.57363004       4.90864997      -1.95599695       1.61671669       2.14201883 
Hf      10.40830000       4.32907002       5.31636998      -4.98489333       3.47137850      -1.10903656 
Hf       4.90804001       4.84201003       5.15438004       1.92091504      -0.48406710      -1.42694801 
Hf       2.70129000       5.23270001       7.77929001       0.65094242       1.41772953      -1.17202181 
Hf       2.19626995       7.90040003      10.47490004       3.61655338       0.06025286       0.30656462 
Hf       2.52557998      10.30079999       8.11601002       0.22385291      -0.85847539      -2.78651859 
Hf       4.84088998       2.64683997       2.29473005       0.81899851      -0.75488668       1.99472955 
Hf      10.20969999       2.14795999       7.74810995      -0.40615601       0.46624679       1.77668049 
Hf      10.02660005      10.15080000       5.50491002       1.18126636      -2.89575488      -2.36313940 
Hf       7.78147004       5.18277000       8.15832001       3.39399478      -1.77218497      -3.01374803 
Hf       7.27928000      10.23390002       7.64053002       0.55230104       1.03486368       2.15296226 
Hf       7.28735003       2.30133998       0.03916461       4.69466966      -1.35057940      -2.21580192 
Hf       8.10235002       6.86832995       5.24740004      -4.62101474       5.09022697       1.87251458 
Hf       2.57560997       2.41336000       5.07763002      -3.02111431      -1.92396235      -1.01157210 
Hf       4.56352995       2.30374003       7.40615001       1.61642139      -0.80335532       3.75285165 
Hf       4.67498001       9.99349999       4.90425998      -0.81176240       1.02290872       3.33270757 
Hf       2.28863000       2.83132997      10.18580000       2.19701336      -4.27570653       1.32791748 
Hf       2.36547002       0.02838912       2.61072003      -1.12769495       0.73258956      -2.31129103 
Hf      10.16670000       2.20192996       2.05924995       3.01217337       3.82574358       1.62292001 
Hf       7.32954997      10.36410005       2.49806999       1.67047653       0.03984182       2.44559125 
O       5.65704005       9.61711001       3.30317004      -0.03044920      -1.89157480      -0.07589212 
O       6.35914004       8.55071995       1.18813000      -2.92651834       2.15744822      -2.05379421 
O       1.44235996       6.05957999       6.39503996       1.00941906      -0.29485979      -0.56830954 
O       4.17578003       6.46396001       6.20985997      -0.00190113      -0.87119215       2.12405656 
O       6.26709999       4.15426003       3.63804998      -0.66062875      -0.20844510       0.28371732 
O       8.86005001       3.68423998       1.02044003       0.08222271      -0.71926629       0.92113852 
O       1.76380999       4.35319003       9.14629999      -3.02868311       2.42802916       0.63389133 
O       5.63426998       3.18328005       6.06756003       2.17879110      -0.24551850      -0.61190996 
O       1.72996995       1.64848999       8.67058999      -1.11662643       0.42855792       0.50226879 
O       0.69935799       9.08641994       4.01653996      -0.25047487       1.79692109       0.10606487 
O       3.43911000       1.44847996       1.18607999      -0.61539498      -0.56663617       2.19307494 
O       3.81290995       3.66784995       8.80230999       3.63209201      -1.31823485       0.01668018 
O       8.68940002       0.89555103       9.26723998       2.83734993      -1.50968698      -0.02354472 
O       1.39189002       6.97825995       3.14747003       1.04869587      -0.22589325       1.99289541 
O       0.76009700       0.42964297       6.91284004      -1.89441815       1.59604605      -0.71913594 
O       1.17840997       9.37452995       9.33111996       1.77785569       0.27186307      -2.35578257 
O       1.11831002       6.76469000       9.12623001      -0.15220498      -0.46966156      -0.63960890 
O       5.83309002       9.08982001       8.80312002       1.45136427       0.61346143      -0.35122909 
O       3.67120002       3.42045005       3.86666999       1.08155109       3.06604485      -1.22208631 
O       8.44247996       8.59027996       4.24687003       1.06249579      -0.95516808      -0.44469135 
O       3.96061996       6.17975995       9.28873005      -1.36984020       2.35467770      -4.27243472 
O       3.36752997       1.08515000       6.51334004      -0.17382638       0.24948590      -1.08077376 
O       6.34198000       6.19787001       0.62834402       1.89731240      -0.04723539       1.30441915 
O       6.36650003       1.54029002       3.48968002       0.20608905      -0.44092462       0.86661152 
O       9.24656005       3.29753996       3.70832995      -0.02513090      -0.12407031       0.54935786 
O      10.05289998       3.52482001       9.24324999      -0.45483825      -0.66277333      -2.40642616 
O       8.66191996       3.41558001       6.44107001       1.95513073       3.16732144       0.17944968 
O       3.54512995       9.00246001       6.48307996       2.62790396       0.13870378      -1.72252093 
O       6.32424002       0.99793105       9.03988999       1.06812398       0.92343135       0.51316801 
O       4.08231001       0.70433799       9.05374995      -2.98243506       1.90554782      -2.25215210 
O       6.45947004       8.46698004       6.06218000      -1.34130018       0.04538030       2.36160133 
O       1.21185996       8.67258003       6.38597999       0.06276792      -0.78882365      -0.43114542 
O       5.87568998       1.53916997       1.06705999       0.32868578      -6.51046132      -1.12386941 
O       1.06042002       3.13310995       6.18796000      -1.16011699      -2.40151948       2.71745318 
O       9.28890995       5.95825995       4.38878003       4.62507047      -3.44997986      -4.18896363 
O       1.20458997       1.60426000       3.57246004      -0.49665925      -0.38435538      -0.56052009 
O       7.11612001       3.73297002       9.23823995      -2.56450338       1.02960741      -1.61661862 
O       3.35215004       3.75230002       6.41270001       0.81123661       1.85993233      -0.17870089 
O       1.04700997       3.47936999       0.98341995      -1.27098481       2.40555150       2.18252450 
O       9.60450999       8.40590003       9.36463002      -4.18243664      -2.48490237       1.52673985 
O       9.58397005       6.43041005       1.38154995      -3.68395779      -5.27291434      -3.35565676 
O       3.90243002       3.73357999       0.91667300      -1.76399536       3.35290427      -0.15283173 
O       7.12535001       6.98576003       8.80428995      -3.35766783      -0.27792165      -4.75621637 
O       8.73203999       0.50560103       4.19919997      -0.84080360       1.46410306       0.30414015 
O       6.28555001       3.70838005       1.13765996       0.12998337       1.64209964       0.73330517 
O       6.89965998       5.48366003       6.32616002      -2.30942279       1.24488539       0.16731600 
O       3.43942003       8.65593995       9.04568999       0.67659735      -0.23152099      -0.56659341 
O       3.26362998       8.94900002       3.63999003       1.39588942      -0.24009822       0.52404649 
O       3.50000003       0.93048896       4.02951995       1.85818804      -1.36708040      -0.64931677 
O       0.84434899       0.90921198       0.75535204      -0.39524103      -0.01281496       1.32754952 
O       1.15720997       4.66068999       3.94982000       2.48838908      -0.89650701      -1.66941527 
O       3.38278000       9.46939003       0.91118396      -0.00614414      -0.57515679       1.49465244 
O       8.38835004       8.82725000       1.53258997       5.38061257       0.62676842      -1.10664161 
O       8.72157001       1.20179000       1.54802000      -4.23960422      -3.08512457      -1.57359416 
O       8.45826002       1.33859996       6.75865002       2.91525040      -5.61631718       2.45801129 
O       3.74819001       6.65875995       1.37622002       0.43259612      -0.59067599      -1.59498712 
O       0.87601299       8.80499002       1.19562998      -1.24044385       0.45185222       0.55889409 
O       6.16069997       0.75422495       6.45007002      -1.98553588      -0.26380043      -2.12967494 
O       8.63166000       5.62427995       9.91760999       2.36298903      -0.48106186      -0.69763286 
O       1.44124999       6.23112004       0.96947902       0.84617093      -1.29691057      -0.01237596 
O       4.01013997       6.46985002       3.81334999      -1.61109780      -2.43368897       0.88603901 
O       9.25259005       8.98752999       7.00339005      -4.48768602       2.88604470      -1.55829320 
O       6.77212004       6.47016005       3.17142001      -0.20931827       1.81331126       0.49689742 
O       9.55136002       6.09686000       6.99649005      -2.14499966       0.45261651       0.66619132 
96
Lattice="10.50595816 0.0 0.0 0.0 10.50595816 0.0 0.0 0.0 10.50595816" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03205408897076324 -0.00041002081884828864 0.0006482613879869192 -0.00041002081884828864 -0.02753066379034758 -0.01369610502058326 0.0006482613879869192 -0.01369610502058326 -0.033947953817252456" pbc="T T T" energy=-928.79754032 free_energy=-928.79754032 config_type=crystal 
Hf       9.89848002       9.96552999       0.07705206      -1.53947007      -0.59454050       2.21039789 
Hf       4.99086005      10.02300000       0.01372509      -0.99724266      -1.44315244      -1.23623377 
Hf       9.72521996       7.41755999       8.18791000      -2.63570497       3.00004130      -3.28536016 
Hf       7.71675003       2.56551002       4.98938995      -0.93770267      -2.63512128       1.07127078 
Hf      10.43400002       4.49354003      10.34399999      -3.15625224      -1.47654987      -0.74700043 
Hf      10.29390002       6.79212002       2.54265000       0.55600825       3.67654179       0.24012363 
Hf       2.28361005       4.82911000       2.10128997       0.13378079       0.81911109      -0.69325556 
Hf       7.43993001       4.90547003       2.76387995       0.38676158      -3.08909072      -0.14531296 
Hf       7.40335005       7.14978003       0.31119898       1.76714134       2.62098664      -1.67050178 
Hf       4.70654003       7.62350997       7.57960998       1.94237746       6.29978582      -1.31328420 
Hf       4.92618001       7.91481003       2.58808995      -1.85583103       2.89369560      -0.18284304 
Hf       4.84560005       5.05583005      10.01300001       0.71489011      -1.27548813       1.04009808 
Hf       2.40548001       7.29313004       4.61302997      -2.44429593       3.26956381       0.14502738 
Hf       0.07159495       4.76424002       5.36968998      -4.73231911       4.64891741      -4.93397547 
Hf       5.16434000       5.00957000       5.03934000       2.69291882       1.26288559      -2.57153568 
Hf       2.52740995       5.50711999       7.41408997      -3.22847502      -1.30559838       2.31070768 
Hf       1.90634004       7.66130998      10.22629995       2.62540793       1.75945746       3.36471111 
Hf       2.18942004      10.20100003       7.97950005       2.45355817       0.15158486       1.58891871 
Hf       4.92153995       1.99701003       2.30440996      -4.55807783      -0.69917446       2.31309551 
Hf      10.41320000       2.63783997       7.44509999      -1.24049748      -1.19495190       2.62058779 
Hf      10.43879998       0.31171703       5.18535002       1.12327611      -6.30637432      -1.67149887 
Hf       7.22981998       5.18146996       7.54108999       2.52278245       3.38436803      -1.20097336 
Hf       7.76527999      10.22009997       8.09793004      -1.11982114       0.65462738      -4.58639157 
Hf       7.74133996       2.08781996       0.01131775       0.22613164       0.65281707       0.00481665 
Hf       7.48902004       7.84964000       5.07796001       0.14950201       0.88425253       0.31952527 
Hf       2.68048995       2.78053000       4.97861997      -0.09603881      -3.58253019      -1.22097684 
Hf       5.16092997       2.36752996       8.01545995       1.31439976      -2.62003140       1.23473818 
Hf       4.73416997       0.07492345       5.31187002       1.37220045      -1.39292301      -0.32685429 
Hf       2.53772995       2.41526998       9.94321996       1.40203895      -0.26040704       1.04066336 
Hf       2.21193998      10.10319996       2.23100997       0.09908226      -1.75358314      -0.99121417 
Hf      10.45860003       2.16477999       2.36572998       0.74945863      -0.51667162       0.73561815 
Hf       7.77903996      10.17320001       2.90477997      -0.78761481      -0.25977353       0.74860542 
O       6.52534002       8.72071000       3.45808004      -1.55634233      -1.86860127       0.09874103 
O       5.89112001       8.47114002       0.77956195      -0.40902144      -3.53697645       0.77194550 
O       1.07493003       6.63059995       6.02108996      -1.91193138      -3.49617649       0.19247196 
O       3.19013997       7.08379998       6.45848000       2.79024591      -0.17958200       2.11156731 
O       5.90382004       3.62225003       3.72565997      -0.58570118      -0.12747791       0.15507659 
O       9.06350996       2.96654997       1.34638004       1.32644682       1.63254788      -1.32722733 
O       1.08009003       4.75758995       8.87070997      -0.23968618      -0.26696202       2.01551349 
O       6.77654000       4.00024001       6.01791001      -3.05382358       0.02330158      -0.21459716 
O       1.25360003       1.59844004       8.58876998      -0.15611899      -0.14176692      -0.16693887 
O       0.97313003       8.17557002       3.51678996       0.36601987      -0.19666097       0.37442834 
O       2.92385995       1.22860005       1.56171005       1.82900766       1.34590439      -2.67262057 
O       3.57987005       3.74360005       8.45258996       0.22517410       1.05003751       0.84920572 
O       8.82827000       0.69684896       9.28444995       1.52357284       2.25429808       1.60266369 
O       1.50682997       5.72330004       3.63536998      -1.04733020       0.60304977      -0.06961876 
O       3.88160999       1.74272004       6.75816004      -2.20353166      -0.60643097      -5.04109737 
O       0.80372797       9.48358996       9.41904997       3.02876072       0.32266760      -1.50886199 
O       1.17626998       7.40420996       8.50227001      -0.01378752      -2.32632002      -1.54147940 
O       6.70117005       9.10345004       9.12637005      -4.29319242       0.16356563       0.70181933 
O       3.28517004       3.47933002       2.86288999       1.62838348      -1.50252382       3.30392293 
O       9.14835997       1.19292003       3.51807001       1.16891414       0.61825489       0.63041763 
O       3.42002998       6.23500997       9.37461996      -1.08678113      -0.24921357      -1.57793223 
O       6.71347998       1.32413997       6.97372003      -0.93623305      -0.45216736      -0.17662830 
O       8.60192995       5.74532999       1.46969004       3.81526918       1.89876044      -1.63462341 
O       6.47589005       0.86607999       3.97818002      -0.36363522       1.07458656       1.63277951 
O       9.37434996       6.06295998       4.01633997       0.15454587       0.30321775       0.32312779 
O       9.11799995       3.34375000       9.13389000       1.22812265      -0.15199028       1.28560256 
O       8.90711995       3.60266997       6.55660995       1.87111953       3.20267309      -1.11768327 
O       4.04561998       9.60087995       6.82797003      -2.33203061       0.73958969       1.79412520 
O       5.99676005       1.55674998       9.64980000       0.49663045      -2.40479943       0.70098265 
O       3.59454004       0.96856698       9.24049995       1.33107756      -1.33466557       0.18239848 
O       5.90074000       8.67801001       5.93116999       1.36699677       1.08961749       0.86192741 
O       1.14838002       9.58955001       6.59755997      -1.09206851       1.13890763      -2.68417187 
O       4.91573005      10.17650003       2.14185001       0.43361486       2.11469204      -1.78966334 
O       1.12365005       4.14556998       6.78626001       1.80765872      -1.34272997      -0.42604721 
O       8.83615998       9.48328004       4.46304995       0.04489140      -1.59266980       0.46450175 
O       1.39902004       0.40507896       3.72957995      -2.52251588       1.82746773       1.06751988 
O       6.36574002       3.85176004       8.54872999      -1.30783810       1.11224064       2.87399761 
O       3.47580002       4.43435997       5.79888001      -1.17024813      -0.52539695       0.88043387 
O       1.45106004       3.32542005       0.92749803      -2.66781875       1.70427803      -0.72359861 
O       8.79741999       8.50592998       9.63676000       1.97927306      -1.66978102      -0.26277564 
O       0.76201501       6.09406004       0.75625795       0.35360756      -0.01146572       0.59833378 
O       4.36823000       3.14792998       0.36534396      -0.67447828       2.26890821      -0.17961326 
O       5.92746002       6.61628999       8.74075001       1.08363847      -3.17414333       2.11433935 
O       8.62251995       3.74672998       3.84542999      -0.16199460      -0.30984482       0.08552538 
O       6.58796005       2.38624002       1.72882003       3.05918600       1.95450128      -2.65109838 
O       5.95016003       6.39367000       6.21157002      -0.38078722      -1.55985022       2.84472076 
O       3.76524999       8.73273995       9.11057003      -1.35930889       0.58982697       0.07297206 
O       3.73585001       9.06578996       4.20748002      -0.66585015      -1.22605771      -1.72639547 
O       3.70977002       1.23143004       3.95468996       0.35631820       1.91747145       2.93176023 
O       0.65720998       0.81404503       0.95529301      -1.25363606       0.36157414       1.14857388 
O       0.47495504       3.64807000       3.77436002       2.35023832      -2.33798674      -0.50533858 
O       3.37736004       8.71937995       0.97944001      -1.45480909       0.61337064       0.79182519 
O       8.11482005       8.50309999       1.61594002       2.52011899      -1.34106502       0.33317834 
O       7.88891999       0.51867495       1.16084996       1.98391812      -0.80551642      -2.12952736 
O       0.99038596       1.94673997       5.79332005       2.97567929       0.91306293      -0.63683167 
O       6.39325995       5.47431997       1.02942999      -3.53700632       0.27991436      -1.73437091 
O       0.46073901       8.72191997       1.27947001       1.06963972      -1.22302591      -0.75102426 
O       9.41799002       1.33514003       6.31789000      -4.03159018       0.70225219       2.00552942 
O       8.48093998       6.03770996       9.12879997       1.23174891      -0.40846355      -0.44524881 
O       3.40965997       6.26130995       1.55157001       1.74226094       0.01226223      -1.50671813 
O       4.03084996       6.42606996       4.02860001       2.75222550      -0.70284901      -1.38433989 
O       9.07282003       9.22287001       7.06537001       0.10420597      -0.94081791       1.22741613 
O       6.84464004       6.10126996       4.06852002      -1.49588377       1.70497619      -0.42580099 
O       8.65208004       6.93297004       6.31973001       1.06409627      -3.09647434       3.77083483 
96
Lattice="10.50973276 0.0 0.0 0.0 10.50973276 0.0 0.0 0.0 10.50973276" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017070787424387314 -0.009092763650942422 0.0154350382716557 -0.009092763650942422 -0.02627582630620296 0.003876185727200945 0.0154350382716557 0.003876185727200945 -0.009338200349303213" pbc="T T T" energy=-926.94916967 free_energy=-926.94916967 config_type=crystal 
Hf      10.06719997       9.90062995       0.01309965       4.86561854       7.35771937      -3.02048150 
Hf       4.74551996      10.43289999       0.04787330       0.96395691      -0.29941390      -3.90697312 
Hf      10.41149997       7.73452001       7.88979995       1.50270053      -1.13779194       0.65221362 
Hf       7.27121999       1.98466004       4.96808005      -2.39874680       1.21976717      -0.63322212 
Hf      10.27399998       5.06258998      10.23020004       1.65650080      -2.32552726       2.16945838 
Hf      10.43385932       7.33126997       2.70750001       0.41443564      -1.98822560       1.05514410 
Hf       2.36861999       4.81349996       2.26758005      -3.09208884       1.94555738       2.38652963 
Hf       7.66952005       4.66958998       2.62786997       2.63739582      -0.43858197       0.34443192 
Hf       7.66954001       7.60572996      10.47350004       1.06783045       0.29203262      -0.03133810 
Hf       4.80573999       7.90904001       7.78000004      -0.15673220       0.99989578       3.47591076 
Hf       5.37152000       7.22523003       2.72858001       1.49830715       7.84832120      -0.83128248 
Hf       5.25525997       5.23740004      10.45999997      -0.20441515       0.38951852       0.39208256 
Hf       2.47740003       7.47069997       5.25662003      -4.01073166      -0.45928427      -1.69826515 
Hf      10.48740000       4.75474004       5.33852995      -0.94213511       1.41122731      -2.17592722 
Hf       5.19660999       5.24077997       5.10086001       0.82596818      -2.49956428      -0.73087332 
Hf       2.58077996       4.79441996       7.45514998      -3.95731278       3.91372303       3.30755150 
Hf       2.52139997       7.54973001       0.17804801       1.19882539       3.15465043      -1.65728879 
Hf       1.92398998      10.31949998       7.58221002       2.10211432       1.18660571       3.41610772 
Hf       4.57004000       2.78529999       2.29656999       6.60210591      -4.52292884       1.74882496 
Hf       9.92335000       2.32423003       7.56033002       0.56138996      -0.80882276       2.76516102 
Hf       9.89835996      10.41009997       5.07919998      -0.23899913      -1.83157294      -0.01487624 
Hf       7.70246995       5.26539997       7.83946001      -0.95817177      -0.61826228      -1.88168055 
Hf       7.46178004       9.92642000       7.65080000      -1.33757430       4.75392436       1.54345704 
Hf       7.58778995       2.28330996       9.99194997      -1.00324441      -1.91666480       1.24799100 
Hf       7.74200998       7.63592001       5.26042004      -0.85203456      -4.60883955      -2.57886968 
Hf       2.32109003       2.34808996       5.23380004      -1.19997886      -1.95429100      -1.84176449 
Hf       4.97786997       2.41184000       7.64045002       4.37497067      -1.76204864      -0.29980454 
Hf       4.63103996       9.95037000       5.05476002       3.53646110       4.60244722      -0.56331160 
Hf       2.56548998       2.79262002      10.46359997      -4.37273615      -0.76161569      -7.90317158 
Hf       2.08692005      10.04690000       2.70797999       0.14128265       0.85260228      -1.88995039 
Hf       9.92553003       2.04161995       2.37417995       1.40777796       3.00088011      -0.11607543 
Hf       7.74294997      10.27990004       2.20530998      -8.95053040      -4.92338103      -4.00273268 
O       6.92893996       9.12882997       3.47610000      -2.14748318      -4.63422671       3.93192116 
O       6.32699995       8.68925997       0.94256002      -0.59663554      -0.79385003      -0.70170966 
O       0.91378395       6.26634997       6.44445998       2.78931337      -0.05358656       2.08254049 
O       3.81172001       6.29576997       6.03115003       0.37328216      -0.27020407       2.43748518 
O       3.04760001       0.99867800       3.79218998      -0.22992314      -2.17726411       0.86306490 
O       8.59328005       3.58844998       1.21129998       0.96359409       0.13790280      -0.39584207 
O       1.31181002       4.29306997       9.10160997      -0.25147489       0.96938228       0.80921240 
O       6.48212003       3.30118998       6.52019995      -0.92121050       1.09231445      -2.52116778 
O       1.12692995       1.68380002       8.69595005       1.35312678      -0.61147074      -1.12628030 
O       1.52537000       8.39363002       3.69390002      -0.09419411       1.26655441       0.41503711 
O       3.20978999       1.69611995       1.23014005       1.63673082      -2.65822151       2.97404507 
O       3.75482000       3.64054000       8.35639004      -1.11582335       2.66839380       3.67240049 
O       9.22492003       0.86222005       8.94564995      -2.26973216      -1.23143763       1.10301283 
O       1.28427001       5.83881004       4.20550004       1.72534182       0.36946263      -3.00916255 
O       3.84562998       1.39019003       6.53491999      -3.19023129      -2.92206102      -2.43355960 
O       0.68556700       9.61273001       8.91386999       0.05948311      -1.93860307      -1.42870808 
O       1.04993996       7.00385995       9.51455996      -2.19982800      -0.91445142      -0.91727211 
O       6.00268000       9.55465995       8.89826997      -1.56444172      -1.37732991       0.48636791 
O       6.36707997       3.61136005       3.58624000      -2.31033277      -0.41420216       1.64718135 
O       8.52662995       0.66256298       3.53638004       2.01370903       3.04947486       7.36806723 
O       3.60532998       6.66273999       8.85913004       0.77028463      -2.24199165       0.37443982 
O       6.20874002       0.54419102       5.97625002       0.57548578      -1.22200564      -0.07767501 
O       9.22514000       6.47624005       1.11711996       0.14126285      -0.32450710       0.60025053 
O       5.57201995       1.08939003       3.59869004       0.58602569       1.18061857       0.67282869 
O       9.18882005       5.83064997       4.01153998      -0.48406272      -0.96437646      -1.16628310 
O       9.02840999       3.27856000       9.31536995       2.22162241       3.15212918      -2.79969958 
O       9.02952003       3.82534998       6.23243001      -1.73537983      -0.65941215       3.21861398 
O       3.52815996       8.84544995       6.47280000       0.04172117       1.57420876      -0.93976518 
O       6.71571997       1.48446003       8.25317995       1.18184757       0.14410210       2.95150315 
O       4.16208003       1.48038004       9.23050995      -0.78828820      -1.09963653       3.15079622 
O       6.13231997       8.45507002       6.44952000      -0.29717680       1.67493436      -1.76104493 
O       1.13991998       8.79419997       6.46479001      -2.02256609      -0.32172475       0.08232998 
O       6.10341001       0.94171599       1.00233003       1.18111947       0.97671212      -0.33695446 
O       0.91330198       3.30530002       6.56566999       1.38037596       1.41520527      -0.42070141 
O       9.38738001       8.17275001       4.21171003       1.50251015       2.98307991      -0.74042412 
O       0.27196603       0.52050303       3.41959000       1.94816953      -2.29948161       1.40865067 
O       6.24736003       4.19210003       9.01917005       1.16497073       0.14160604       0.04148055 
O       3.18296001       3.88873995       5.98856995       3.69366323       0.19071786      -3.11607415 
O       0.82841297       3.69318000       1.27760999       1.96150284       0.92341482      -1.02890394 
O       8.72975996       8.58717999       8.82774000       0.15811010       0.62904155       1.03390654 
O       1.80080004       6.55343004       1.71683999      -5.71848964      -0.16248551       1.20508797 
O       3.82000998       4.07338997       0.90503702      -2.26687232      -0.73779777      -2.04902537 
O       6.73096003       6.94425999       8.70225999      -1.34750612      -0.99737743       2.63216266 
O       8.81646999       3.17854003       3.75008999       0.00832068      -0.60647574       0.18694378 
O       6.15057002       3.94099004       1.03819996      -0.24112829      -3.16776156       0.54734210 
O       6.36707997       6.15137002       6.43824001       0.89790871      -1.99532457       0.50562671 
O       3.36068001       9.20299999       9.10443004       0.33636326      -0.11850123      -0.56903938 
O       4.06103998       8.70186997       3.66776000      -0.32046087       1.03176065       1.34613536 
O       3.61719001       3.92946002       3.44392003       0.91143182      -1.21600606       2.34231452 
O       0.54958598       0.90791700       1.04004999       1.93147872      -1.10366552      -0.64808107 
O       1.14957002       2.91417002       3.72980999      -0.68152461       1.53041112       0.69624304 
O       3.57089001       9.51033001       1.21668002      -2.92723801      -1.56115795       1.74131580 
O       8.89939998       8.99095005       1.01229000      -4.87315258      -3.51322462       3.44710356 
O       8.70105000       0.96924896       1.20088001       1.39590886       3.69742577      -5.26829839 
O       1.08232003       0.83418702       6.03637999      -1.76322252      -0.58600409      -0.63837016 
O       6.34536003       6.08695997       1.65661996       3.14830077      -0.98388471      -5.21379180 
O       0.77259000       8.61670004       1.31146005       0.91886512       1.94938110      -1.09975713 
O       8.67930999       1.02471996       6.45547996       1.78674559       0.54546648      -2.34174965 
O       9.10691003       6.01209998       9.15974004      -2.20678163       0.26552937      -0.27817132 
O       3.74401999       6.32428003       1.21663998       4.63718250       0.87610886      -3.35827326 
O       4.04115000       6.30016997       3.44439003      -3.09920177      -3.71877838       4.95340823 
O       8.31450003       9.12758004       6.12887005       4.79224321       3.16090909       0.66340589 
O       6.63104999       6.18752003       4.06363998      -1.03169291       1.19874375      -0.92694670 
O       9.18918000       6.47666002       6.97669997      -3.17415681       0.73144223      -3.00646886 
96
Lattice="10.51389864 0.0 0.0 0.0 10.51389864 0.0 0.0 0.0 10.51389864" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011365021236490134 0.007428719203290474 0.012849755009981484 0.007428719203290474 -0.003204126432350947 0.005231602340954594 0.012849755009981484 0.005231602340954594 0.009954836965500178" pbc="T T T" energy=-929.95548624 free_energy=-929.95548624 config_type=crystal 
Hf      10.37239996      10.19619995      10.21229999      -1.09247811       0.89820922       0.03712938 
Hf       4.57105001      10.13680000      10.24650002       2.42854107      -1.87599982      -2.83919437 
Hf      10.48847593       7.67800999       7.69276005       0.67032042      -0.55157239       2.04496403 
Hf       7.53556002       2.02983998       5.04280002       1.85097770       0.43557695       1.19582714 
Hf       9.93172000       4.95630996       0.34274300       1.06120874       1.60365076      -2.79287867 
Hf      10.01669995       7.91187001       2.67762997       0.70606353      -2.75581508      -1.46904360 
Hf       2.24857996       4.94387002       2.75087000       0.48165201       2.38334638      -2.00676751 
Hf       7.47094002       4.82012995       2.43936001       1.35371393      -0.26099854      -2.87489787 
Hf       7.56292002       7.67438995      10.15730000      -0.79955100      -2.43107707       0.34725239 
Hf       4.93355999       7.65011998       7.62463997      -1.01629364      -1.69523076       2.16921171 
Hf       4.75866002       7.47702000       2.49712000       1.71999368       1.46193244      -1.02535991 
Hf       4.81703003       5.24148001      10.51360005       0.58426357      -1.39528454      -1.71339683 
Hf       1.80378001       7.58826998       5.11342998       3.65999604       0.72117729       0.64653280 
Hf      10.20700004       4.68773999       5.49301999      -1.93162428       2.50687939      -2.03075344 
Hf       5.77823998       5.06874002       4.99939003      -0.77189516       0.96635284       0.68338232 
Hf       2.54446998       4.92460004       7.23564002      -2.48033527       2.86688174       4.54234196 
Hf       2.26361998       7.54071004      10.35320001      -0.59541384      -1.70341837      -1.24215208 
Hf       2.33270996      10.27319996       7.68941000       1.15433092      -0.18058613      -1.46988958 
Hf       5.00843997       2.32601997       2.52543004      -1.45964974      -1.24191607      -1.07003012 
Hf       0.21673498       2.39160998       8.15406997      -1.74247345      -2.78802748       2.34239700 
Hf      10.13779998      10.38100002       5.20890995       0.59058267       3.01277913      -0.82437655 
Hf       7.98651995       4.56252997       7.73915000      -3.68763244      -2.39129880       2.91984456 
Hf       7.56918000      10.03059995       7.59980005      -0.46977427       5.44570606       2.88343862 
Hf       7.21880001       2.26237997      10.32780001       0.37677693      -0.35859911      -1.94330752 
Hf       8.12362003       7.45370995       5.45364996      -1.14628353      -1.21025152      -1.62062170 
Hf       2.25499995       2.37322002       4.82952002       1.47350463      -2.23518487      -0.33388240 
Hf       5.01812001       2.52471005       7.29414997      -1.15351019      -1.91872477       4.31368426 
Hf       4.77948995       9.85630002       4.93275000      -2.92954224       2.68010230      -1.80271835 
Hf       2.62949998       2.49334005       0.11284904      -2.17821101       0.52658719      -3.54224182 
Hf       2.16492002      10.04150003       2.49144996       1.35551937       2.73072519      -1.06525402 
Hf      10.00890000       2.34060001       2.32974999      -2.15913651      -2.20909661      -0.33431945 
Hf       7.52694998      10.03359999       2.55031003       0.16788075       1.04854266       0.14710756 
O       5.79383998       8.32364002       4.39111999       2.15750824      -1.04202614      -1.79402161 
O       5.93466997       8.75750004       0.92934800       0.71706781      -0.04927866       0.27936675 
O       0.67337999       6.22362996       6.20194999       3.54301567       3.77002350       0.79580034 
O       3.25579000       6.73201997       6.47029002       0.88689564      -0.08640349      -0.27309773 
O       3.66848996       3.50809003       3.69035004      -1.58786651      -0.32719332      -1.00445477 
O       8.57805996       3.71290003       0.99627601      -0.87459836      -0.70733600       2.00068246 
O       1.11268999       3.41810998       9.84500998      -4.54875777       1.71525684       0.29421125 
O       6.53243000       3.61908998       6.34954000       0.25094277       0.36935195      -1.69280927 
O       1.74647001       1.19920003       8.97894998      -3.04466734       0.48678004       0.04445485 
O       0.79093704       9.28735995       3.68799997      -2.10251831      -0.34889623      -1.01621587 
O       1.31993996       1.06385998       1.25222005      -0.48839230      -0.56219458      -1.22353252 
O       3.52121000       3.24800004       8.89877004       0.54086586       0.28953438      -1.57433504 
O       9.74304998       0.51034296       8.34539001      -1.89139475      -0.19491084       0.09950005 
O       1.55449001       6.89260000       3.36337000      -0.78450469      -2.40815286      -1.24315560 
O       3.86518997       1.36733998       6.03407005      -1.03824485       1.17843651      -1.13805146 
O       0.90463497       9.30646002       8.72285001       1.31377684      -1.54470687      -1.14227836 
O       1.18506000       6.60678997       8.74397002       0.51698496      -0.12551905       1.40641003 
O       6.46033998       8.71225999       8.59791998       0.95341948      -1.49781563       1.64401168 
O       6.17269002       3.52773998       3.56968002       0.97748887       0.52165334       1.20351851 
O       8.81891004       0.91162398       3.86619005       2.07165802       0.21164432      -6.02674401 
O       3.60084995       5.93105003       9.14763002      -1.82180605       0.01062566      -0.95462163 
O       6.57109003       1.07163995       7.09276003      -1.89242607       3.70930487      -3.55797401 
O       8.92592996       6.31012003       1.59485003       0.08297331       0.29263425       1.07758537 
O       6.45755002       0.61646005       4.17355998      -2.63462293      -0.18349122      -1.51732383 
O       9.58520997       6.67156000       4.35360997       1.33530971       0.16020485       0.67591669 
O       8.70111999       3.11056004       8.76887997       1.54379536      -1.05674640       1.00282905 
O       9.22778998       3.27972005       6.14010997      -4.53404290      -2.88251393       1.97932779 
O       5.10741003       9.39303998       6.70849995       1.98915801      -1.42850890       1.93957041 
O       6.64978004       0.68960598       9.25762002       0.34145834      -0.26387511       2.48253575 
O       3.81899999       0.58020203       8.47638005       4.02880633      -0.39339625       1.06913659 
O       8.84312996       8.68783000       6.98303004      -0.14327873      -2.44737988      -2.86367360 
O       2.89838000       9.36987996       5.59985003       0.90352171       0.47076490       0.48164452 
O       4.00411999       1.20098004       0.46799897       1.66204877       1.32904981       3.02767792 
O       0.60843795       3.99752000       7.26726005       3.11708140       2.45797933      -0.31893595 
O       8.55502001       8.84078000       3.99922998       0.49639939      -0.04443066      -0.65670768 
O       0.83227801       1.55369000       3.51238001       2.23703939      -1.32625462       3.21150644 
O       6.15829996       3.65497003       9.00234004       0.86055403      -0.10673756      -0.89854240 
O       3.91781003       4.02080997       6.36519004       2.23756039      -0.33307849      -2.03710484 
O       0.60987499       3.89400005       2.67856003       0.29388133       0.80623206      -1.46550582 
O       9.43550004       8.24800997       9.58751998      -2.51197938       0.16905215      -1.38333016 
O       0.89957600       5.92752998       1.12278996       1.68111618       0.43322101      -0.37747168 
O       3.39037000       4.07782000       1.02359995      -2.03374851       0.04944952       2.79494287 
O       5.85799000       6.39332997       9.24881000       2.39673571       2.19609803       0.32858923 
O       8.72170000       3.36667998       3.69163999      -0.09508191       0.78515417      -0.92523998 
O       5.61146000       3.42006998       0.83869401       2.62180278      -0.71100069       2.11783938 
O       6.61098996       6.43875001       6.53439999      -1.29281990      -0.31412048      -1.10971498 
O       3.41805005       8.65859001       8.80781998       0.97694919      -0.70695998       0.55717345 
O       3.76145995       0.91497697       3.35519996      -1.40318351      -0.96918604      -0.38766391 
O       4.58199004       6.02177005       3.73990004      -0.74393302      -1.81964339       1.33628963 
O       9.10172003       1.38404005       0.46290698       0.96758470      -0.83798168       1.12502081 
O       1.46430999       4.26001998       5.01252000       4.27941666      -1.38296118      -1.67029046 
O       3.15876995       9.30305005       0.93084802       1.37576015      -0.57141763      -1.86825192 
O       9.09201003       9.18632001       1.24304005      -2.43025750       0.72061947       2.79249954 
O       6.52612997       0.68534501       1.40104996      -0.63719989       2.90923290       0.68125014 
O       0.77344402       1.55566998       6.11536004       0.72131237      -1.81551509       0.58728582 
O       6.38134002       6.40693001       1.67283003      -0.98988247      -2.12020671      -1.59198343 
O       0.87592204       8.66454004       0.66995004      -0.40677942       0.25382093       2.71851630 
O       8.34745000       0.32903898       5.77342998       0.27525957      -1.34126674       3.78289325 
O       8.50093999       5.67602996       9.58951005      -0.49957573       1.07882913       0.32489509 
O       3.31823004       6.56395004       1.38390999       1.77112491      -0.09743844      -1.05179451 
O       3.40206997       8.62835004       3.25619005       0.13337571       1.32274093       1.74744209 
O       0.77991795       8.96389996       5.97278001      -3.59919685      -0.48876609       4.20611126 
O       7.50138995       5.87317996       4.01065995      -2.59639541      -0.03880815       3.54004005 
O       9.22225999       5.87484000       7.26749997       0.34598422       2.79305652      -2.86367624 
96
Lattice="10.5183684 0.0 0.0 0.0 10.5183684 0.0 0.0 0.0 10.5183684" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01656713493718707 0.01818607921357081 -0.001808402795537784 0.01818607921357081 -0.019678593502542266 -0.015614457591765654 -0.001808402795537784 -0.015614457591765654 -0.0177782513489539" pbc="T T T" energy=-925.21685553 free_energy=-925.21685553 config_type=crystal 
Hf      10.17749995      10.20680002       0.43662799       0.59486265      -1.80174978       0.32265418 
Hf       5.11891997      10.16439995      10.47839997      -0.59657143       3.71216657      -2.16717528 
Hf       9.91176999       7.50266004       7.77013005       1.03512206       2.01727769       1.47063213 
Hf       8.02003996       2.32255998       5.43752997       2.90381122       1.18353101      -1.34948399 
Hf      10.36649999       5.15727005      10.42169997      -1.01942475      -5.33647761      -1.70138330 
Hf      10.25699999       7.28597997       2.06034999      -0.32078942       0.91547115       2.67981043 
Hf       2.76102995       4.99891001       2.83706997      -1.02488483      -2.41173558      -3.96610286 
Hf       7.69302999       5.13227998       2.84561004       0.91933219       1.25633059      -1.50253877 
Hf       7.42550002       7.93035005       9.92678002       5.56972145      -1.24718400      -1.35402369 
Hf       4.69712004       7.70221000       7.71043999       3.27630271      -2.93373407      -4.15749075 
Hf       5.35770997       7.70963997       2.10691996       0.23932378      -0.21033113       3.28969722 
Hf       4.98953005       5.16782996      10.33550004      -1.11996553      -4.49485654       1.78943998 
Hf       2.43456998       7.41472995       4.81780001      -2.51015940      -1.70708480       0.09692338 
Hf       0.41574198       4.26198997       5.02977995      -1.64862098      -0.70308886      -0.51603947 
Hf       4.87613005       4.56431996       5.00127002       0.88945581       3.42682997       0.48885364 
Hf       2.26998002       4.96619000       7.78075003      -0.08800001       0.81592923      -1.57459064 
Hf       2.48800003       7.70041999      10.48250003      -0.71684654      -0.24938382      -0.57511260 
Hf       1.86725999       9.87820998       7.70469002       2.69160593      -1.17519103       3.40844306 
Hf       5.03801005       2.51572003       2.48902999       2.48986591      -0.01640686      -3.80510238 
Hf      10.36329999       1.79120998       7.92625998      -4.54697351       0.73623848      -1.30734637 
Hf      10.27859998      10.02920000       5.16830003      -0.87199094       1.48873740      -3.36718736 
Hf       7.57575996       5.03946001       7.91785002       1.94441179       0.59141656       2.57598862 
Hf       7.03597003       0.03606696       7.77429995       4.81868537      -0.41739872      -0.54318996 
Hf       7.63897999       2.53758004      10.45749997       0.71903254       0.39384576       0.49271992 
Hf       7.56797995       7.43101996       5.19689000       0.41078544      -0.04792568      -1.50051648 
Hf       2.73716998       1.96841998       5.25581001      -1.05022471      -0.81226848      -2.96261431 
Hf       4.70060004       2.11731001       7.90727001      -1.02310800      -0.42019054      -2.24435561 
Hf       4.90374003      10.04389995       5.24204999      -2.89423729       1.08840932      -1.18769612 
Hf       2.08584999       2.10054005      10.35560001      -1.27411867      -0.86209774       1.66494207 
Hf       2.94319000      10.10010001       2.67268996      -3.18920264       0.25301210      -0.90679569 
Hf      10.18550001       2.41883997       2.42989004      -0.15483575      -2.58148045       0.30727244 
Hf       7.34696000      10.51420197       2.55684002       6.01834139      -0.74548674       3.48087351 
O       6.65591003       8.85078996       3.47387997      -1.71590380       1.25260339      -0.28242565 
O       6.61011000       9.10784005       0.71399705      -2.00684699      -1.49165430       1.82135928 
O       9.29053002       6.33223995       6.48774004      -0.76664224      -1.89633262      -2.01083506 
O       1.84876996       5.92265995       6.06679999      -3.50473272      -0.02561204      -0.41800888 
O       3.79240004       3.20713004       3.70356001      -3.71172702       2.56828889       3.03777378 
O       8.57357005       3.39836997       1.70472995      -1.42605416      -0.10617154      -0.05748388 
O       1.05084001       3.04018997       8.54506001       4.01720899       1.46818893       1.92418357 
O       5.84016996       4.10841001       3.37400995       2.35073699      -1.31735435      -0.37983931 
O       4.33603003       3.87129001       8.44098002      -3.54711988       2.98094053       1.95106472 
O       0.98003898       8.25845004       3.81312996      -1.66471070      -0.25067038      -0.19749717 
O       1.09451996       0.86658502       1.41796000       0.39271301       0.04872479      -0.65537443 
O       3.15644003       6.18546002       9.29380996       1.41256996      -1.30518408      -0.62486529 
O       0.43187495       0.26902000       9.25879000       1.60424164       3.93671599      -1.88032262 
O       0.89319197       5.38775001       3.36235003       0.96209896       2.20970789      -0.05469845 
O       0.93263596       0.63653295       6.62681002      -1.37025829       4.21465040      -0.99552768 
O       1.01681004       8.64050000       9.24960999       1.53635918      -2.18684661      -1.66203066 
O       0.52820995       5.79707000       8.35652004       1.71732720      -0.49570575       1.35532847 
O       6.23355000       8.93430002       8.58069004      -2.29619599       0.34466980       2.31765726 
O       5.78185002       3.43985000       0.91063300       3.06249565      -0.58131205      -0.95034770 
O       7.20068000       1.68322999       3.75585997      -1.50971398      -0.86063379      -1.55045762 
O       3.64365001       8.74216003       8.81841000      -2.04262637       2.45689192       2.30624348 
O       3.40642998       0.59602703       6.55848995       2.12413438      -1.08519849      -2.78751169 
O       9.21287995       5.76224999       1.48007002       0.15460594      -1.37483792      -0.14604344 
O       4.24215001       0.79491296       3.66191000       0.64220304      -0.71807696      -0.84347294 
O       8.66360002       7.20427002       3.27683001      -0.67809024      -0.82361095       2.17717372 
O       9.11825997       3.66833999       9.52135004      -1.18033008      -1.31297773      -1.15074554 
O       9.92857004       3.43316000       6.46493001      -1.70782653      -0.91328641       4.03907707 
O       6.06078001       8.85948002       6.01945997       0.96764090      -1.95112487       2.18859825 
O       8.16757996       0.84180396       9.31424999       1.46294739       0.84681572      -1.11871535 
O       5.95014003       1.19709004       9.12298997      -1.73408500      -1.89277572      -0.08327686 
O       8.74842004       8.83091003       5.72338999       1.52873373       1.83757305      -1.25647703 
O       3.34698995       8.66040002       5.81517001       1.88685820       3.65016929       5.19282046 
O       3.48332999       0.90971696       0.74971196       2.08672854      -0.05346076       0.92596577 
O       2.14477999       3.61431996       6.04092996      -1.00298489      -0.31469147       0.99577878 
O       9.32207997       0.09133162       3.10491002       0.44927417      -1.76475305       2.55231024 
O      10.14669996       2.13601998       4.69920005      -1.94749335      -1.77888938      -2.08483974 
O       7.27407002       3.85557999       6.49401004      -1.89444053      -0.39398191      -1.32729906 
O       4.44736001       2.98483001       6.04598003       0.37342971      -0.63224431       0.18658634 
O       0.66604602       3.31613999       0.74309201       1.15881620      -0.38966100      -0.26012043 
O       8.65794998       9.11277001       8.25218004      -0.63295207      -2.07893100       1.81391307 
O       1.10538996       6.12904001       0.89155700       3.98367467       1.59395698       0.50053080 
O       3.74999997       4.02182995       1.23908000      -3.49860026      -1.18145999       0.37075277 
O       6.22732996       6.40383996       9.48992999      -0.95319231       0.49775208      -1.97927645 
O       8.90191995       4.39198995       4.13260005       0.74501485      -0.84611898       1.41027375 
O       6.49937998       3.70975995       9.20886004       1.45808182       2.16080180      -1.48601916 
O       3.95006996       6.29911004       6.55319995       2.75478185      -1.59242057       2.06613030 
O       3.15887997       1.10492999       8.59347995      -1.58742464       1.03741829       4.10621570 
O       1.73445002       0.07439474       4.09137004       0.29913798       1.21265019       1.08358772 
O       3.78814999       6.14110995       4.12166999      -0.88593492      -3.72183873      -1.77191127 
O       9.02454004       1.02702001       1.15199001      -1.41017438       1.69850952      -1.39590893 
O       1.38294004       2.96710004       3.45421998       1.30100913       1.58170206       0.61531095 
O       3.96523997       8.97609002       1.05615999       0.11592638      -0.66243910      -0.62509064 
O       9.02864999       8.50696995       0.63908996       0.84153400       0.22774903       0.78703306 
O       6.45647998       0.80553305       1.14303004      -4.08560301       3.06216928      -1.93422494 
O       8.56775002       0.79313399       6.57344003       1.16064779       0.53626673       0.31140316 
O       6.52542999       6.33858001       1.51181003       0.29036194      -0.45943960      -1.86293097 
O       1.17190002       8.46021001       1.09628000      -0.65193366       3.43982537       2.57953545 
O       5.96197004       1.07276997       5.96677998       1.31986101      -0.72379461       3.04170330 
O       9.02887003       6.24720999       9.73908005      -4.99067620       4.86827246      -4.78444736 
O       3.96413996       6.41290995       1.33484995      -0.91855244       0.76598725      -0.49295636 
O       3.77876003       8.37748000       3.50444004       0.93683973       2.66761318      -1.62524503 
O       0.52367696       8.97084998       6.65136999       0.43422344      -3.95550709       0.20038762 
O       6.17154001       6.21589996       4.13049995       1.72064159       0.69838670       1.38263607 
O       7.11346999       6.89618996       7.06905997      -2.40073909      -2.43112679       2.11538768 
96
Lattice="10.52299296 0.0 0.0 0.0 10.52299296 0.0 0.0 0.0 10.52299296" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.012587675171498796 0.008664921195185126 0.006017739489411479 0.008664921195185126 0.011872239254435138 -0.0044740076699039556 0.006017739489411479 -0.0044740076699039556 0.0014518356901491495" pbc="T T T" energy=-931.76107418 free_energy=-931.76107418 config_type=crystal 
Hf      10.01950005      10.18849995      10.45760003       2.45099879      -0.30129646       0.83691229 
Hf       5.05219005      10.22920005      10.40920005      -1.45653586      -1.03916194      -1.15874816 
Hf       0.15529202       7.92993997       7.68204004      -1.77850761      -3.00980488       4.16408472 
Hf       7.57869005       2.63657998       4.94660002      -3.92331795      -2.55352370       3.65534859 
Hf      10.09879996       4.65200999      10.36870000       0.87445171       1.30154659      -1.23442427 
Hf      10.15549995       7.27448000       2.51024997       2.24360948       0.45107973      -1.32638532 
Hf       2.64838004       5.21065001       2.70543003      -2.44050787      -1.40470938      -0.71714903 
Hf       7.34697995       4.92586004       2.27639003       3.97929307       5.47534345      -4.48753574 
Hf       7.66918000       7.36943002      10.39760003       1.23228769      -0.32235820      -3.09147509 
Hf       5.13325003       7.63432995       7.91322999       2.70172718      -0.39260533      -2.52579007 
Hf       5.14652005       7.99016001       2.76339004       1.17225050      -4.78035287      -6.15795692 
Hf       5.12068000       4.95524003      10.35049995      -0.57123436      -0.96011992      -2.42838197 
Hf       2.58394996       7.33584999       5.38931002      -0.92025546       1.23589890      -2.06452219 
Hf      10.34839999       4.47292001       5.02827002       2.57287912       2.65376053       1.29360632 
Hf       4.95862001       4.76145995       5.44997002      -1.58304891      -0.85053147       1.90343715 
Hf       2.23096995       5.28815996       8.11219001       0.13390771      -3.97953122      -2.00267476 
Hf       2.34613001       7.44493996       0.12890708      -1.27043748       2.22298589       1.17531443 
Hf       2.22312001      10.37049995       7.47878002       0.90372574       0.53978250       1.09650434 
Hf       4.90686004       2.36866005       2.35872003      -0.33985136      -0.12904647       0.41824811 
Hf      10.21639998       2.09414000       7.83551000       2.38117099      -0.63502871       2.00758900 
Hf      10.16379996      10.07409997       4.82230001      -0.38747378       0.93268147       0.11264112 
Hf       7.59789998       4.91285005       7.93223999       1.13594660       0.16542885      -1.15676437 
Hf       7.70974003       9.95320004       7.52794996      -2.71095750       3.36291204       6.12524926 
Hf       7.65149001       2.13761995      10.29930002       1.71776756       0.69710256      -2.47094559 
Hf       7.64959997       7.04448999       4.80123003       0.99015400       3.17347481       4.55277336 
Hf       2.39171004       2.42664995       4.92832000       0.32784552      -2.73599068       2.73734353 
Hf       5.14545996       1.91928995       7.82515001      -1.06603106       2.76676919       0.36238121 
Hf       5.20764001      10.36730002       5.11567000      -1.77959690      -1.10587882      -0.04594829 
Hf       2.36394996       2.39742002      10.44628287      -1.56972720      -1.14558635      -0.24364706 
Hf       2.38000005      10.29560003       2.52829996      -2.03264814      -0.25107479      -2.03548896 
Hf      10.27839998       2.31509002       2.66164996       5.00683046      -3.34190634      -7.03418074 
Hf       7.60532995      10.29600001       2.30137004      -0.80617941      -1.22013490      -2.82952272 
O       6.60190996       9.19721002       3.51256000      -1.96010311       0.39861128       3.95345855 
O       5.77254995       9.01216003       1.20576999       1.71492495       1.77077757      -0.82796644 
O       8.44518002       6.48980999       6.87989997       0.71606828       0.45818543      -0.81069404 
O       1.04491005       6.12504001       6.44356996      -0.85191006       1.95616022       2.03892552 
O       3.92451003       3.45703995       4.31856002       0.40251519      -2.17030210      -3.30345900 
O       8.32380003       3.55729998       0.94329498       1.47101061       1.16389005       2.22813102 
O       1.21580998       3.38054001       9.11361000      -0.27158591       2.41597775      -1.17034580 
O       6.44953996       3.93637996       3.46431997      -2.02550420      -4.77214174       6.31779391 
O       3.84928999       3.36047003       9.41519003       1.75575488      -1.38596617       0.13264053 
O       1.32508000       8.78532997       3.61890000      -0.32304834       1.26128530       1.01477498 
O       1.14153996       1.25492005       1.23972001       0.39442862      -2.13891200       0.72242339 
O       3.25453001       5.72577998      10.27090004      -0.96432007       1.00207269      -3.13554873 
O       1.12515997       0.72113303       9.32053003      -1.69636844       0.52722103      -1.71922079 
O       0.65150396       6.23573001       4.00168997       0.83125078      -1.78599308       0.28416127 
O       1.32542000       1.41034003       6.63657996       2.99015132      -1.36285784       0.15503626 
O       1.63056996       8.80960999       9.10149004      -0.26440822      -1.48007503      -2.74396543 
O       0.55440599       6.33697004       9.30075996       2.53077533      -0.69110761      -1.48276738 
O       6.62553997       8.79363998       9.05797999       1.18680018      -0.63583380      -0.38683899 
O       6.05545998       4.00513004       1.19173001      -3.91577080      -3.77816502       0.09031656 
O       3.54133997       0.91165897       3.70100997       1.89870740      -0.75544040      -0.28506891 
O       4.27082004       8.39040005       9.35617004      -2.39665887       0.39065772       2.18886267 
O       3.93533998       1.17163004       6.21505001       2.29431353      -0.28243409       0.24371472 
O       1.07954995       6.30889995       1.43743000       3.01049014      -1.21912609      -0.56758574 
O       1.11378998       1.05139000       3.58143004      -2.96579483      -0.87848027       3.55550006 
O       8.60053001       5.67453995       3.95059000       2.60474487      -2.70834711       0.15719666 
O       9.22326001       3.21889000       9.13429999      -1.07829452       0.65645820      -0.41702784 
O       8.91205996       3.74660999       6.35072001       0.12042095       0.44141452       0.00441153 
O       6.18978999       8.99454002       6.64985997      -2.60848786       0.88171330      -2.06961708 
O       8.90956001       0.76662603       9.00561999      -0.57356835      -0.19683336      -0.79403447 
O       6.25265003       0.91226404       9.23092001      -1.16343304      -0.11701005      -1.83799608 
O       8.64273995       9.22932998       6.22159005       4.95099942      -2.76008050      -4.98612425 
O       3.34739005       9.10328999       6.15360004      -0.24349394       0.62867932       2.09057160 
O       3.74475005       0.86218396       1.08584996       1.34695481       1.44301889      -0.21129018 
O       1.63619997       3.80165998       6.19576000      -3.42062641       0.53816604      -1.23751571 
O       8.74584002       8.24662997       3.43141005       0.39430661       1.74792258       2.19765379 
O       6.13145998       1.44173001       3.87896999      -0.33378153      -0.99407394       0.19056838 
O       6.09089995       3.43288000       6.28935002       2.85987820      -2.03818165       0.45582097 
O       3.80172995       4.25063000       7.08888997       0.73680410      -0.28736111       0.03862080 
O       0.38259098       3.51442005       1.07638001       1.10252401      -1.64515364       3.55601048 
O       9.57710996       8.59134996       9.37875996      -0.17681476      -1.12449186      -5.03523376 
O       3.89189001       6.41762004       2.04771003       0.90390584       1.00942748      -1.67834387 
O       3.24354000       3.60068996       1.36584997       1.25640951       0.03618081       2.59533325 
O       6.18166003       6.02091005       8.89904996      -1.74151977       1.85630741      -0.44340545 
O       9.11625001       3.01700995       3.91740995       0.99328305       3.96864431       0.90334988 
O       6.51842000       3.57283002       9.09647004      -0.54154906      -1.39340702       0.14495479 
O       3.35826999       6.55445999       6.97708002       1.27282118       2.03874508       2.28312173 
O       3.63195998       0.49729602       8.66600997       2.72209624       1.18402249       1.08907828 
O       8.69585002       0.59713997       3.71673995       1.73486383      -0.10492430       1.15962050 
O       3.74909005       5.77977998       4.31225001      -3.85974550       3.49806381       0.62343582 
O       8.82359000       0.89466897       1.17212998       2.58809870       1.48321090      -0.81974482 
O       1.45734003       3.44482002       3.55125000      -3.80166881       1.99304230      -0.51988201 
O       3.34460998       8.85133997       1.38527005      -1.36195115      -0.35523973       0.01646120 
O       8.34136995       8.93686002       0.66396003      -0.71335463       3.33070043       3.98566881 
O       6.40615998       1.22770002       1.01420995      -2.39665241      -0.83575042       3.71191466 
O       9.72275996       1.19972001       6.24665003      -2.63452286      -2.40808631      -3.18534773 
O       8.88998998       6.23211999       1.23076999       1.10093338       0.09739969       1.53707321 
O       0.29409798       8.80246004       1.26668002       0.79463114       0.68953770      -0.35021407 
O       7.10495995       1.21416997       6.64363005      -2.06216677      -1.12009208      -0.69673178 
O       8.63199997       5.52157004       9.52131000      -3.71659015       2.72993056      -2.49534008 
O       6.35245999       6.37644999       0.81806000      -1.33779574      -0.89899534       2.16169060 
O       4.31287003       8.47825999       4.23883004      -2.90587927       2.78531457       4.12134121 
O       0.79110504       8.99155002       6.14963004       0.31595229       0.33536435       1.29466244 
O       6.36387996       6.47370002       3.59423000      -2.39221904      -0.11747200      -2.15687249 
O       5.90486995       6.14846998       6.30189995       2.51423377       2.90410781       0.69399071 
96
Lattice="10.52745425 0.0 0.0 0.0 10.52745425 0.0 0.0 0.0 10.52745425" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016180079913446707 -0.0055627500890318825 0.009028839805924099 -0.0055627500890318825 0.005564177453512372 -0.002402169573588126 0.009028839805924099 -0.002402169573588126 0.004102891138629702" pbc="T T T" energy=-932.31416225 free_energy=-932.31416225 config_type=crystal 
Hf       0.03129949      10.12859996      10.22940002       1.34238432       1.80568718      -0.63247735 
Hf       5.05720995      10.36380003      10.13990002       1.28487069      -2.24281747       2.35047750 
Hf      10.25400005       7.61401003       8.06518998       0.08023568      -3.72241352      -2.55701725 
Hf       7.31811003       2.47082004       5.29212999       3.21282990      -1.33183104       1.38340088 
Hf      10.37860005       4.81311997      10.01720002      -1.24885564       1.29948317      -3.13457087 
Hf       9.82393996       7.24333005       2.48818002       3.38906112       2.23961886      -0.30068213 
Hf       2.13487003       4.36793004       2.33663995       0.34951112       3.55485726       1.79076422 
Hf       7.88901998       4.90329004       2.80355002      -3.32352654      -1.68192173       0.35910233 
Hf       7.76147997       7.82131002       0.13647402      -3.65271977      -1.24994582      -4.83316180 
Hf       4.94662999       7.54084001       7.88357002      -1.42156591       0.18484221       1.87153130 
Hf       4.87471000       8.04482998       2.55441003       0.88362500       0.55484026      -0.87063498 
Hf       4.85769995       5.10633000      10.43180001       1.40916017       0.90528206      -1.11587296 
Hf       2.46315995       7.33366002       5.29953005      -1.79340874       0.13216127      -0.56926248 
Hf      10.15740002       4.31194999       5.12304002       0.89092298       3.71299799       3.80624458 
Hf       4.99063001       4.92132999       4.87349998      -0.12598019       0.01513651      -0.46599474 
Hf       2.66498999       4.90856998       7.55882995      -3.29783221       1.33108702      -1.15461926 
Hf       2.13035996       7.22859003       0.64666498       0.91084554      -0.15277204      -0.53490656 
Hf       2.33177995       9.89886996       7.45264005      -1.81062251       2.35363233       1.24508371 
Hf       5.22567996       2.33222000       2.33845004      -0.28767258       2.24590263       2.05431467 
Hf      10.26399997       2.09048996       7.85512000       0.44874548      -1.57695500      -1.39385401 
Hf      10.16800001       9.97486997       4.91235997       2.39173771      -0.21582721       2.65464846 
Hf       7.90388000       5.12710003       7.56625002       1.01463834      -0.19602559       0.95869881 
Hf       7.93106000      10.18750001       7.94756999      -1.74168550       1.91507969      -1.40945626 
Hf       7.68889002       2.32161001      10.30360004      -0.98721975       0.62600985      -0.66835111 
Hf       7.61246996       7.95394005       5.36185005       1.22001321       1.61043153      -1.38361947 
Hf       2.44542003       2.48468996       5.13991005       6.12963755       0.97705328       0.76104970 
Hf       5.07687997       2.47113997       7.92397997       0.48254885      -1.08327524      -1.53092979 
Hf       4.99162001      10.36110005       4.77985996       2.55139437       0.79345425       4.99807864 
Hf       2.60396002       2.65320998      10.47200215      -0.40445921      -2.16933398      -3.53776931 
Hf       2.40439002      10.41850005       2.91771995      -1.34367297       0.30106877      -2.62481432 
Hf       9.96106005       2.11882998       2.27270999      -1.64632935       0.85566018       1.85303739 
Hf       7.76534997      10.27350005       2.45812004      -2.75374734       0.27141554       1.11966581 
O       6.40959999       9.24015999       3.87676998      -2.35757998      -1.18176602       0.39506835 
O       4.88676004       6.77851999       1.06285999      -0.38556002      -1.03065161      -0.63831364 
O       9.25018002       6.08188002       6.32319001      -2.29410291      -0.65982162       0.53163322 
O       1.51925998       5.59740005       5.80918001       0.39250670       0.34573259      -1.75119213 
O       3.89433998       1.04493995       3.64623000       1.12177068       0.70058853      -0.86650615 
O       8.61071002       3.51505002       1.52547002       1.64745194      -1.40394572      -1.73310484 
O       0.78495204       3.53868005       8.85418004       1.07112190       0.82810703       1.04291587 
O       6.17906001       4.06550997       1.61541996       1.64244484       0.92318854       0.29310400 
O       3.58883000       6.39809001       8.94798997       0.39984555      -0.67530815      -0.02324262 
O       0.97701302       8.58766995       4.12611000      -0.33542936       1.55173923      -0.43241462 
O       0.75467003       0.96399499       1.58746999      -0.96509722      -1.72608483      -0.34454928 
O       3.85280002       9.25828005       9.09865005      -0.26295419      -1.35988871      -1.40029748 
O       0.98579197       1.29451999       9.22723996       1.33649706      -3.82198053       2.03571811 
O       1.24919004       6.23613997       2.50317996       2.60670560      -0.37016582      -1.00460507 
O       0.72058203       0.38353400       6.50268995      -1.34076907      -1.37278532       2.02889580 
O       0.99012097       8.87770005       8.77624003       1.32831891       3.61969622       4.40846150 
O       0.83663195       5.90009005       8.46087003       1.30935621      -0.47855386       0.15166121 
O       6.73992003       9.34724999       9.44347997      -1.37923353      -1.51005397       0.28068883 
O       5.86109004       0.84213296       1.32818995       1.19231176      -0.18162742      -1.47920956 
O       3.49059001       9.07945998       4.08842002       1.02663078       0.28011086      -0.98596905 
O       4.26894997       1.36837998       9.44571000      -2.56419548       2.39759870      -0.93601459 
O       3.21103999       1.20543004       6.65448005       0.71228418      -0.79409427       0.51651088 
O       0.28824801       6.68019999       0.24229799      -0.93286461       0.17890654       0.71454432 
O       1.47598004       1.10519004       4.51399005      -2.54826471      -6.86764241      -5.36665134 
O       9.81401004       5.90710996       3.80151005      -2.48906487      -2.39772961       0.32042888 
O       8.69015998       3.69885000       9.37377001       1.14745104       0.61711964      -1.21790670 
O       9.16701997       3.43524002       6.67224997      -1.07723660       1.70017121      -0.15037033 
O       6.82801998       9.94010000       6.31874995      -1.10761601      -2.74507277      -0.96185595 
O       8.95629003       1.00906997       9.30263001       2.41681925       0.02325251      -0.79899142 
O       6.61547004       1.30085005       8.90388004      -0.86214896      -1.26356853      -1.06789128 
O       9.20953004       8.68540999       6.61665996      -1.02966872       1.15693537      -1.74352018 
O       3.83212999       9.15121005       6.60453002       2.53846895      -2.62253504      -2.39508853 
O       2.93691002       1.17793002       1.14810005       1.37187574       0.68827665       1.36879058 
O       1.40084002       3.22404002       6.41736999      -3.94529265       1.67784821       3.85110424 
O       8.89736997       8.65782996       3.93761003       0.67124552      -0.19712882      -0.94427797 
O       6.97984997       1.21090000       3.58573998      -1.88097923       0.30120299      -0.12053098 
O       6.53218998       4.15637000       6.39243003       0.03553098       0.58639601      -0.18370582 
O       3.98410001       3.74980004       6.11929996      -0.00786755       0.51282252       1.76042103 
O       0.77472799       3.79233001       0.98338098       0.27984521      -2.73106279       1.87637840 
O       9.09943003       9.01326998       8.98350002       1.25055109      -1.46957276       5.09661236 
O       2.77115999       5.10836001       0.48604804      -0.98043213       1.29783908       0.37255520 
O       4.18939000       3.46177005       0.91321897      -1.75444649      -2.50034106       0.66673475 
O       6.26234996       6.33842998       9.16266003      -0.60795704       0.87347284      -0.34594882 
O       8.73173995       3.34467002       3.96349999       0.77216283       1.08489184       0.54266812 
O       6.11906004       3.66980002       9.16626000      -0.27352557       0.76300241       0.96891728 
O       3.84616004       6.29000000       6.40535995       1.68904439       0.56044441       0.83281922 
O       3.61559005       3.56946001       8.72152001      -1.40883210       1.14518563       1.23361961 
O       9.24530002       0.63522196       3.59468000       2.39689442       0.53769143       0.01142297 
O       3.62930995       3.75480005       3.68548003      -1.30435288       0.27954072      -1.53536151 
O       8.64225996       0.88116698       1.00235998       0.62927681       0.26729665       1.88743142 
O       0.79940498       3.31848003       4.01986998       1.76928833       0.15072797      -5.44921250 
O       3.52916997       9.18232005       1.30356002       1.21805752      -1.27067635       2.08518229 
O       8.52511003       8.58713000       1.59089004       7.21028354       1.53474958       0.19306783 
O       6.52103004       8.88477998       1.47130995      -3.90344291      -0.76888707      -1.35900754 
O       8.71400003       1.06882001       6.82207996       0.33569239       1.01832024      -1.91698756 
O       8.29935004       6.25231003       1.44586004       0.84652999       0.00192563      -0.70486312 
O       1.10147996       8.82546998       1.08287005      -2.12624669       1.81249131       0.40665289 
O       5.76474004       1.58698004       5.77145003      -2.94999485      -1.55008178       2.69568258 
O       8.88724003       6.22519005       8.96496002      -0.31138422       1.04641275       1.35726400 
O       6.07903003       3.32092997       4.09378997      -1.51790116       3.77968614      -2.38303648 
O       4.02306001       6.56690005       3.64833001      -0.25846204      -1.11606975       1.54963069 
O       1.30123998       7.95826999       6.80844996       2.35591961       1.08404564      -2.60121928 
O       6.88528996       6.42407998       3.90429001      -0.09252503      -1.05277029       0.53372100 
O       6.39136002       7.20920004       6.54343004      -1.61961875      -2.27013391       2.34343557 
96
Lattice="10.53244329 0.0 0.0 0.0 10.53244329 0.0 0.0 0.0 10.53244329" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.01665020612189425 -0.005020596865271647 -0.01080574249757521 -0.005020596865271647 0.0008870605534677892 0.0011398889961882536 -0.01080574249757521 0.0011398889961882536 -0.01609860352170232" pbc="T T T" energy=-932.01571801 free_energy=-932.01571801 config_type=crystal 
Hf      10.39220002       9.97176005      10.29650002      -4.09447379       2.38297776       0.28802681 
Hf       5.26217002       9.87551995      10.02940000       0.98462366       0.71810545       3.53231694 
Hf      10.13460005       7.63277002       7.66846005       2.13462960       2.99301274       1.00508870 
Hf       7.89599000       2.51627001       4.75597996      -1.62293120       0.82336838      -1.01520498 
Hf      10.16049996       4.71885004      10.48549998       2.95036054      -1.76637108      -2.57941306 
Hf      10.02850000       7.63943000       2.54720000      -0.06258950       0.82029770      -1.00596855 
Hf       2.03520003       5.22095004       2.45666996       0.75717166      -2.73814770      -4.97953353 
Hf       8.19520997       4.89743004       2.39170996      -7.31391821      -1.44314629       2.74357084 
Hf       7.70885997       7.20751999      10.34709999      -2.63359247       2.59511844      -1.75854248 
Hf       5.07491003       7.75463997       7.56957999      -1.57724831       0.05347208      -0.42966591 
Hf       4.96090002       7.57424997       2.53536996      -0.73089706      -3.83190473      -6.45688971 
Hf       4.84226995       5.12427001      10.45915939       1.91075429      -1.56296154       3.15500564 
Hf       2.40889996       7.16222996       5.17782000      -2.74597545       3.43857564       3.13129176 
Hf      10.15610003       5.02235998       5.00747996      -0.87421502      -1.27902329      -0.07989865 
Hf       5.15124001       4.97995005       5.43456000       4.91073446      -3.26532270      -1.62459244 
Hf       2.37166999       4.58876004       7.88395004      -0.90325910       1.74956209      -0.36897491 
Hf       2.29152999       7.46754000      10.27069996       3.84785276       0.93744233      -0.58274776 
Hf       2.37809004      10.07909997       8.18038998      -0.13230045       0.84596623      -0.89360853 
Hf       4.94145997       2.38596999       2.49712002       2.11204326      -2.29606136      -1.55296720 
Hf      10.45599998       2.03060999       7.62524996      -3.32697134      -3.66793691      -1.24440225 
Hf      10.44830002      10.19640000       5.16963998      -0.72385726      -1.45749998       0.42884966 
Hf       7.93699996       5.17231996       7.81701005      -3.60287386      -3.92703829      -0.07034900 
Hf       7.60319997       0.03316898       7.24793002       1.18824589      -1.38076121       1.39431236 
Hf       7.64716998       2.31271000      10.18779994      -2.79225714       0.06285778       1.17500487 
Hf       7.21405000       7.68849002       4.87269997       1.26136229       0.93772255       2.04880078 
Hf       2.40833995       2.54380002       5.14857004      -0.88362474       0.34834175      -0.38358036 
Hf       5.17025002       2.46972998       8.04131001       1.69184107       1.14203566      -0.26866410 
Hf       4.55780003       0.12464304       5.47501996       4.25978648      -2.98188154      -2.26066777 
Hf       2.77959004       2.17656996       0.00873456      -3.32885713      -0.00331515       1.19565279 
Hf       2.77710997       9.86577997       2.66313998      -0.92364178       1.93555095      -3.21067565 
Hf      10.30489996       2.01181000       2.40042998      -1.04187846      -0.96088280      -3.50270266 
Hf       7.42897999       9.95288001       2.38745001       0.99145117       5.39615462      -1.52356616 
O       6.67423995       8.45062003       3.17371997      -1.78374544      -2.09497208      -0.10683828 
O       3.43839995       6.25880005       1.45726001       1.75405658      -0.63935340      -4.61828015 
O       8.92465002       6.47531001       6.80811004       0.36501480      -0.75331925      -4.12317167 
O       1.46432001       6.61338002       7.63899996       0.12600094      -2.20515132      -1.33657465 
O       5.95228004       0.80332999       3.61040002       0.06102638       0.00433370       0.58456849 
O       9.34025002       3.71110997       3.53588003       2.07500851      -1.28798835      -0.17850959 
O       0.38242701       3.21893996       8.90990997       2.40907122       5.00506767       2.90107863 
O       6.10464995       5.87817998       1.31735998      -0.19870934      -0.03562483       0.25236082 
O       3.92290003       5.51358998       8.75625995      -0.75268195       2.77047841      -1.30775170 
O       1.22462003       9.32577002       3.75549000      -0.67821337      -0.60316536       0.24424707 
O       0.79186195      10.51220004       1.31009997       0.91099747       1.43975680       2.38030346 
O       3.93037996       8.49321998       9.26631996      -2.50173264      -0.54737933      -1.57634722 
O       1.07574005       0.79087695       9.28446999       2.74885133       0.87392585      -1.23988097 
O       0.39893599       6.87886005       4.33350997       1.39228423      -1.26187054       0.69247125 
O       1.15148001       0.66659402       6.61329997      -1.62068595       0.86162510      -0.60547080 
O       0.91189905       8.80145003       9.18240998       2.94842604      -1.62359113      -2.06827292 
O       1.32487004       5.89179001      10.03299999      -1.31054823      -4.99296301      -1.24089454 
O       6.06967002       9.03110996       8.47934001       3.77153030       0.92025022      -0.97790784 
O       6.63672002       3.14944995       1.92408001      -0.81431131      -0.80375177       0.58854545 
O       4.27499002       8.89157004       3.64436999      -2.95789825       3.70612893       3.47341407 
O       3.95766004       0.74722103       9.66162004      -2.02598309      -0.36022666      -2.78521009 
O       3.35148001       0.73054396       6.79375001       1.17322315       2.84918932       1.74367185 
O       8.37790994       6.66633999       1.46409999       3.27475419       0.08582285       1.89519988 
O       3.38575996       1.03609003       4.05972995      -1.32745276       0.67056371       0.98005565 
O       8.65354999       6.17990004       3.92387997       0.43366014       2.29734930       0.65733407 
O       8.32093996       4.04432004       0.68675501       3.70591499       0.28897438      -3.04204768 
O       8.38283997       3.23647995       8.60276002       1.01635326       0.82268921      -0.34442273 
O       6.00336997       9.18227000       5.86963996       0.33862880      -2.06271231       0.02746829 
O       9.29481000       0.30564603       8.38618002       0.00561631       2.31359797       0.31363627 
O       6.38852004       1.09289003       8.86314003       1.19678518      -0.54554515       0.53466546 
O       8.54718000       9.28787997       6.15651001       1.80905161      -2.72909049       0.35662912 
O       3.60519004       8.91401004       6.75080997      -0.25753782      -1.80488448      -1.45461829 
O       3.23349000       1.00628996       1.46030999       1.29781571      -0.24867662       2.25001272 
O       0.79957696       3.77137999       6.36068996       1.67014998      -1.04812702       0.42106882 
O       8.67942999       9.15308998       3.90859002       3.17793990      -0.95418242      -1.58091633 
O       8.53387995       1.36729999       3.21395000       0.52444330      -1.14467684      -0.50465164 
O       6.32554003       4.04687005       7.11081004      -2.55178629      -1.59332257      -0.44927730 
O       3.58422995       3.43618003       6.55542999       0.05663158      -1.90645250      -0.76042554 
O       1.04169003       3.01865997       0.88005799      -1.79321513       0.58968157       1.38663778 
O       8.77178003       8.53303998       8.84287002      -0.66908108      -1.10901074       1.53680329 
O       0.18848997       5.46421999       1.70622000      -2.03733937       0.60626078       1.88438633 
O       3.56080000       3.63295998       1.25394004       0.90383505       0.50572872      -0.33282225 
O       6.45730996       5.86786998       9.29378004       1.96460915       2.14466979      -1.20144115 
O       8.76665000       3.87516995       5.97767997       0.92037403       1.16075826       1.30817572 
O       5.87552001       3.46318005       9.92232002      -0.93906966      -1.12557447      -1.22440571 
O       3.39188004       5.55404004       5.85466999      -3.04335142       3.28763724       1.05192885 
O       3.54809998       3.16328000       8.94289000      -2.40143950       0.22804976       0.55244585 
O       0.54983304       1.38948995       3.99851002       1.70086707      -0.10270209       2.06957963 
O       4.58721999       3.55909996       3.91499996      -2.62338496       1.21984516       2.87501618 
O       9.03663001       1.35831002       0.52354595       2.21611841      -1.13146998       1.44934304 
O       1.37574995       4.20428995       3.97882004       0.78831759      -1.88361139       1.49255802 
O       3.46654001       8.73092995       1.11707999      -0.08892359       1.27209608       1.65191469 
O       9.15653998       8.91382004       1.04718996      -1.96821749       0.25522805       1.42938232 
O       6.24831995       0.39094702       1.00285996       0.58735439       0.11441578      -0.52739525 
O       8.98100997       1.18752003       6.02788002       0.08354665       1.12101904      -0.37370897 
O       5.94959995       8.33929000       0.68831002       2.19206119      -0.29594710      -0.30041993 
O       1.05028998       7.73996997       1.00511001      -4.37014016       1.55268507       5.39752633 
O       6.17537004       1.14268004       6.37066997      -1.54662085       2.25331477      -0.85888429 
O       9.19599999       6.13664003       9.19981000       0.64292209      -1.84854873       1.55267513 
O       6.97079996       4.36630999       4.22322001      -0.40389445      -1.23840253       0.69299957 
O       2.76766995       6.60942003       3.43560001       0.81023011       2.23924472       2.35713226 
O       0.95847498       8.61568996       6.22663997      -1.59057235       0.88902559       0.44153974 
O       5.41438005       6.50848004       4.11866002       0.82103087       0.02055516       1.60763688 
O       6.25556996       6.44518996       6.53051002       0.69653906       0.99401789      -0.21917097 
96
Lattice="10.53754295 0.0 0.0 0.0 10.53754295 0.0 0.0 0.0 10.53754295" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.020563390710038754 0.017660110803434336 -0.01212261607606152 0.017660110803434336 0.0027356424710600798 0.004954548616516674 -0.01212261607606152 0.004954548616516674 0.02108094832462057" pbc="T T T" energy=-933.16582401 free_energy=-933.16582401 config_type=crystal 
Hf      10.22649997       9.90506002      10.20400000      -1.32794890      -0.47444499       1.72648649 
Hf       4.80220005      10.10720002      10.37130004      -1.08040501       1.00206184       0.81070834 
Hf       9.85301004       7.37451998       7.47793996      -0.02627689      -0.22673520       0.10449939 
Hf       7.91260001       2.59610000       4.99007001      -0.77085437      -2.59011098      -1.48421838 
Hf      10.17480005       4.73306998      10.40839999       4.75498416      -1.60221540      -0.17069897 
Hf       0.11938003       6.88812997       2.33035002       1.34901395       4.43625296      -1.26054636 
Hf       2.52747004       4.67951998       2.64741004       1.01255224      -2.29608199       0.37334768 
Hf       7.75237003       4.86800996       2.32191998      -1.25309960      -0.43673112      -0.24392007 
Hf       7.20481000       7.89799002       9.91743004       3.52774939       0.47958268       5.30343396 
Hf       5.17600000       7.85144001       7.64191003      -3.19523214       0.22825202      -3.60465602 
Hf       5.09965002       7.14248002       2.51177995      -0.79813755       3.73224037      -0.18002433 
Hf       5.41901998       5.16103005      10.28359997      -3.60956758      -0.78866154       1.88919610 
Hf       2.14425996       7.53711996       5.04684998       3.83840038       0.08407513       1.38082964 
Hf      10.22230002       5.12445002       4.96477000       1.49780062      -6.43818418       2.83597208 
Hf       5.01719997       5.13302000       5.37321001      -1.46685841       0.60930561       1.44024367 
Hf       2.55222999       5.27432002       7.86619004      -0.73448941      -2.25226104      -0.72461842 
Hf       2.18139995       7.55262996      10.21520004       1.72133788       1.57925962      -1.09080751 
Hf       2.01806002      10.38369999       7.81209999       4.45103071       1.49415904       0.63715080 
Hf       4.84922005       2.37817002       3.12504999      -0.37136579      -0.90273617      -0.75436478 
Hf      10.43677896       2.64612003       7.73314997       5.39426214      -2.31866195      -2.11965495 
Hf      10.32240004      10.27890001       5.11361996      -1.57209093      -1.89447676      -0.85080850 
Hf       7.69443999       4.92990001       8.17702996      -0.57745104      -1.56170679      -3.79984240 
Hf       7.61726998       0.16953600       7.59589005       1.39261053       1.02636970       2.07737979 
Hf       7.23397002       2.39131002       0.28476603       0.77146643      -5.01039985       0.47835099 
Hf       7.64617004       7.83360996       4.58466997       0.91247426       0.47227275       3.88316819 
Hf       2.05138005       1.91572004       5.15330003      -1.09708507       4.43334377      -3.00618291 
Hf       4.84131004       2.11783001       7.64589006       0.39535551       3.92469137       0.63853069 
Hf       5.49714996      10.23100003       5.25796997      -2.57957291      -0.52207542      -4.33651622 
Hf       2.54878000       2.20824002      10.48889997       1.27660028      -0.63961314      -0.28617679 
Hf       2.46773998       9.93233002       2.66854002       1.22951398       0.21074769      -2.12039251 
Hf      10.45699998       1.98234998       2.16105996       0.68738354      -0.41791557       1.30069203 
Hf       7.80722005      10.15359999       2.01903001      -0.05305558      -1.06457567       2.41516989 
O       6.06593997       8.73856002       3.83239004       1.25655343      -0.21445628       0.58966529 
O       3.51672003       3.18211004       1.60460003      -0.35565049      -0.29907004       1.62528283 
O       8.53324000       5.94079000       6.44608004       1.78678152      -0.93798219       1.09364390 
O       0.65282502       6.36756997       6.16983003       1.29079058       1.62446432       1.27272212 
O       6.15225003       1.51443997       6.06759005      -0.07125961      -2.35377848       0.51619964 
O       9.56354995       6.62716002       4.09896996      -2.86986816       3.41128700      -3.89083908 
O       1.47811000       3.86734001       8.87306997      -0.60317609      -0.67960048       1.16896049 
O       6.85340002       6.26607004       0.94778697      -1.79347750      -1.11438138       0.41900653 
O       3.46227001       6.00498998       9.39066997       1.76291328       1.10740696       1.79420954 
O       1.11259003       8.79999000       3.95552997      -0.97702620       0.15146368      -0.50067415 
O       0.73812896       0.66822901       0.73081496       1.71024327       1.35487275       1.12336646 
O       3.58839998       8.91840996       8.66982995       0.82955863      -0.48429564       0.02892092 
O       1.29699999       1.37262003       8.80103996      -1.82793005      -0.12303461       1.39800756 
O       1.39170004       6.08599998       3.70016000      -2.57329867      -0.38662561      -1.34667392 
O       0.75244200       1.05705002       6.42443003      -0.86461530       1.97544846      -1.17454032 
O       1.17955001       9.06922001       9.10054001      -1.63726588      -0.49532860       0.98234676 
O       0.94222399       6.38799004       8.96178997      -1.66235840       0.73852898      -0.45474871 
O       6.14653995       9.09755999       8.93807997      -1.77641257       1.17754616      -1.11895105 
O       6.33741995       3.52667000       1.80073996      -0.35864212      -1.33114002      -0.05697155 
O       3.56919003       8.47572999       3.25045001      -0.23109634      -1.34287899       0.81339388 
O       3.72459003       1.06687996       9.02828998      -1.17672354      -0.87042835       1.54232261 
O       3.24759002       1.55156005       6.53013001       2.34684200      -1.66744310       2.54822453 
O       9.23939996       5.84302004       1.28329001       1.94098952       0.10186413       0.47540813 
O       3.61602003       0.98947402       3.96684002      -0.57108814      -1.88991623      -0.53855347 
O       8.99810002       9.49381997       3.58626001      -1.60200037      -2.46845312       0.35182363 
O       9.00731005       3.16149998       1.50490002      -1.96532181       2.50104005      -3.29790652 
O       8.79251003       1.65719997       8.29225999      -0.59732173      -2.46966459       1.07758790 
O       6.82873005       9.17743004       6.42388998      -2.65519375       0.22412832      -0.77058385 
O       8.61458004       9.19910998       8.67891995       1.38809137       1.35277757       0.93399109 
O       6.47912999       0.40016098       0.86101905      -2.79924435       2.56167214      -2.54904337 
O       9.17450998       8.54060006       6.19235002      -0.32738553      -0.12239068      -2.72951254 
O       3.70577998       9.25454999       5.69607000       1.67201186       0.14644323       1.31985240 
O       3.76956004       8.83615000       0.93416804      -1.79228701      -1.58309920      -1.69879019 
O       1.15342997       3.52989996       6.20184003       0.42605538       1.64278179       0.56576479 
O       8.89500998       1.50814000       3.37666997      -0.83090413       0.30979597       1.03681125 
O       8.77502003       4.11660001       3.84206003      -1.13842258       0.76715315       0.66428985 
O       6.43552996       3.54164996       7.49077995       3.95492040       1.71357447       1.42039711 
O       4.43704005       4.19195998       7.07758003      -3.92297356       0.88039317      -0.48191318 
O       1.08534996       3.38248996       0.94713501      -1.65871209       0.81642523      -0.45819295 
O       8.41868005       6.80830998       8.89607005       2.53740587      -3.04737413      -0.19116633 
O       1.54667000       6.02429002       0.89022596      -2.37939288      -1.10959258       2.67373227 
O       3.51445003       0.72993202       1.21335002      -0.44695099       0.20784573      -1.02436713 
O       5.98341004       6.33527999       8.69149999       0.85368335      -0.26324447       1.84818449 
O       9.17592001       3.18065997       6.24956003      -0.28596767       1.68680640      -0.86411190 
O       7.36204996       4.18392005      10.25809996       0.03313495       2.89336729      -3.32337916 
O       3.35954003       6.64515003       6.67686003       0.38668999       1.61211248       0.44592464 
O       4.54777003       3.52293001       9.78387996       0.11129104      -0.95313874      -0.04924643 
O       0.93879697       0.80060205       3.61607999       0.82974179      -1.03376449       0.42115766 
O       3.69903996       3.40064003       4.37444999      -2.14276096       1.88947287      -0.88932806 
O       8.86115001       0.62303697       0.72459201       0.15965561       2.53250272      -0.52209505 
O       0.85606598       3.36954996       3.70248995       0.38793451       1.05474105      -1.78028686 
O       4.09672999       5.58371998       1.71971004       1.65101128       1.31013276      -1.05499882 
O       8.97601997       8.69116005       0.80153304      -0.50792074      -0.69482873      -0.34646914 
O       6.14772996       0.59479899       3.24429999       0.02277121       1.69103619       2.23949462 
O       8.68442003       0.46973595       5.90577996      -1.51650570       1.82702418       0.10305478 
O       6.07882001       8.45573005       1.08285003       1.04088565       0.80094425      -0.29543308 
O       1.22979997       8.59935002       1.12574995      -2.07186217      -0.59780122       1.58439373 
O       6.06132000       1.21147002       8.96135003       2.99270928      -0.60242760      -0.02761658 
O       9.42900998       3.86388001       8.76686998      -2.17641517       4.95016424       3.01832080 
O       5.99723003       3.67825002       4.50574999       3.16895376      -1.58872603      -1.02563851 
O       3.54506001       6.12715003       4.31710995       2.04492608      -0.89611419      -1.37452309 
O       0.89573204       9.51832998       6.62057996      -0.80754286      -6.13693929      -2.08212887 
O       6.46188003       6.27438005       3.80502004       1.48302109      -1.37389648      -2.38670199 
O       6.10010996       6.78454002       6.15469000      -0.79363643      -0.15842894      -0.05280695 
96
Lattice="10.54270382 0.0 0.0 0.0 10.54270382 0.0 0.0 0.0 10.54270382" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.009659730250134481 -0.0026066591821285426 0.0010911251402027698 -0.0026066591821285426 0.019296404259452293 0.006082339308592663 0.0010911251402027698 0.006082339308592663 0.019829520807847254" pbc="T T T" energy=-932.29145117 free_energy=-932.29145117 config_type=crystal 
Hf       0.18492503      10.20660000      10.17929998      -0.72855375      -0.76187775       1.05850810 
Hf       4.76759000      10.42219998       0.04311228       0.66309752      -0.89665558       1.64731204 
Hf      10.10760000       7.34413003       7.41167998      -3.90332497       2.44372108       3.64168001 
Hf       7.63264999       2.35259002       5.27584004      -2.81499567      -0.44718348      -0.46850592 
Hf      10.20989997       5.33009997      10.15999998      -2.19589950      -2.96659362      -0.59079070 
Hf      10.17909999       7.33926004       2.47071996       0.78830226      -0.84406445      -2.57960265 
Hf       2.21094995       4.79300002       2.34585998      -0.75889426      -2.64916133      -1.81362483 
Hf       7.80640999       4.62248001       2.24164999      -0.46177479      -1.35917824       0.26025583 
Hf       7.67090999       7.80063996      10.32989998      -1.48737258       0.25871416      -1.49619114 
Hf       5.05101003       8.13791002       8.04277003       1.44048943      -1.30763028      -0.41759838 
Hf       5.15489003       7.26102000       2.71111997       1.85884903       1.76960324      -0.82850871 
Hf       4.55545003       5.31374001      10.19740001       0.99026408      -1.98008300       1.02330082 
Hf       2.17011005       7.59641999       4.81056997       0.05282250      -1.27922322       1.74993948 
Hf      10.05160001       4.74027997       4.95392997       0.75137792      -2.20830452      -1.09891844 
Hf       5.08758004       4.58367000       5.20041997      -1.91069176       0.54156875       0.48400722 
Hf       2.28044999       5.20785004       7.35120998       1.97061758       0.72613651       1.78011328 
Hf       2.59457997       7.74886000      10.31360001      -2.00845578       2.78012703       0.35693855 
Hf       2.04779001       9.77566002       7.30379997       3.65255182       3.62158240       4.68582982 
Hf       5.45093000       1.98280995       2.60454999      -0.03486463      -0.71158639      -0.32165239 
Hf       0.01848199       2.61033003       7.72074999      -0.23326708      -2.19637601       1.31482033 
Hf      10.18389997      10.40220005       5.20129997      -1.18075397      -1.17217821       0.08186553 
Hf       7.05837995       5.44823001       7.67832004       4.34457858       0.75604126       0.46806005 
Hf       7.71844999      10.29109998       8.36491004      -0.85714480       1.26883828      -3.31997372 
Hf       7.90942000       2.53736999      10.31329996       2.26869979      -0.05044948      -4.40423545 
Hf       7.79181003       7.25016997       4.76106997      -1.36103461       1.44890194       2.61694582 
Hf       2.46439002       2.29259002       5.23791003       0.77976385      -0.39526430      -0.95818225 
Hf       4.84685005       2.19796999       7.84573996      -0.60200396      -0.54935184      -0.48709396 
Hf       5.07419997      10.14900004       5.38906995       0.05586762       2.16382535      -1.04734161 
Hf       2.44239003       2.41396005      10.32359997      -0.90696177       0.24412211       1.19102078 
Hf       2.56226004      10.10479997       2.73415999      -1.20577042       2.26140654      -2.01871748 
Hf      10.19349995       1.82855997       2.61183005       2.35329223       0.73351267      -0.48928632 
Hf       7.80772002       9.94333002       2.15289002      -1.36392353       3.70994898       0.00681138 
O       5.83958003       8.35521001       4.54343999       0.44422659       1.96896823      -0.58387126 
O       3.79377004       3.77784002       0.91242895      -1.29247518       1.12701976       1.01750297 
O       8.99732003       6.13174998       5.96026004      -0.94027952      -1.49840180      -0.13185299 
O       0.87545695       6.53713002       6.44887999       5.67015186      -2.45562983      -4.41672513 
O       5.72966001       1.65782995       5.81650996      -2.37174446       1.07113680       2.93730280 
O       9.08380004       5.82889004       3.26368005      -0.50832238       0.83104479       3.65552267 
O       1.89329997       3.15961997       8.60335005      -0.26790508       1.45763073       0.45514841 
O       6.43197002       5.56290996       1.37692003      -4.75821384       2.68526187      -0.57954998 
O       3.31219999       6.72919004       8.67907998       0.98925282      -0.54770566       1.47976858 
O       0.66064198       8.86237996       3.18142998       1.14435473      -1.96212693       1.89082325 
O       0.99339396       0.54516596       1.56153996      -0.44802000       0.60037827      -2.84718711 
O       3.50355998       9.51535002       9.15786000       0.53178976      -2.26347997      -0.61555480 
O       4.19786998       1.59967998       9.94795996      -0.45954900       1.47118464      -3.22611895 
O       0.90430000       5.97097997       3.75364999       1.72978359       1.04220906      -0.87849997 
O       0.86382403       1.00586999       6.51657997      -1.63995209      -0.33473795      -0.34134091 
O       1.18175002       8.51046999       8.67192000      -0.47328285       2.04234152      -0.67121013 
O       0.82472103       6.17751997       8.82061999       3.27030955      -1.66380368      -0.45668979 
O       6.16485998       9.24256999       9.67789004       0.97076494       0.17153459      -2.23320187 
O       6.72958001       2.91222004       1.13856995      -1.94070005       1.72163447       3.19487615 
O       3.50651995       8.37823001       3.46968005      -1.07162846      -0.63113474       1.26137153 
O       6.54660000       1.55650002       8.95846996       0.38930928      -1.26224461       0.02915278 
O       3.22124999       0.98684399       6.80549001       1.76785668      -0.66820307       0.23238537 
O       8.66556001       6.74836996       1.08328000       2.08976042       0.10231088      -1.51915149 
O       3.70696996       0.85552197       4.00546005      -0.10531450      -1.22705469       2.27688211 
O       8.19331003       8.32007002       3.29675999       2.45841797       0.01746927      -1.66500163 
O       9.26206999       4.19750995       1.04950002      -1.70046334      -0.96442657      -0.15574974 
O       1.44920998       0.82237096       9.25280000      -0.19202796      -0.36925462       0.41407070 
O       5.57374997      10.05469998       7.22076996       0.59161525      -1.02157882       1.22047514 
O       9.03743997       8.72016004       8.64908999       0.40726396       1.13941118       2.17888328 
O       6.32351997       0.50581995       1.27001996      -0.73823137       0.34344954       0.75837956 
O       9.11063997       8.65921995       5.82325001      -0.36300416       0.01672914      -0.79384556 
O       3.53441995       8.56976004       6.31307995      -0.41447653       1.29131718       0.17133522 
O       3.91174996       9.04479003       1.20601004      -1.31213851      -1.53769226      -0.55718469 
O       9.39827002       3.06940005       6.00135002       0.74084635       0.61109799       1.13980080 
O       9.20692996       0.31109495       3.35347004      -0.76422922      -0.40156022       2.64156725 
O       8.71797001       3.38982002       3.63418998       1.27584579      -1.38237356       1.22194061 
O       3.60965005       3.44097996       6.53411997       0.61424228       1.23790361      -0.37726231 
O       1.04098995       3.98103998       6.60338996      -1.50116983      -0.02950280      -3.37654949 
O       1.13078005       3.67242004       0.98594597       1.97097056      -0.00443873       1.33123052 
O       9.15937003       5.83242997       8.45945996      -2.52724243       1.52419320       0.64400148 
O       0.80726696       6.25634998       0.88449300       1.91937589       0.58470231       3.57813341 
O       3.65502996       0.88839296       1.69222995       0.62160826       1.22393463      -1.10995601 
O       5.81453995       6.59770997       9.48537004       1.93595252       1.43910530       0.70871273 
O       6.80302997       4.10885003       6.07441001       1.36073195      -0.71803771       1.20856616 
O       7.25360995       4.03053998       8.86535005      -0.86619241      -1.21283968       2.22342957 
O       5.37759000       5.90701000       7.14066997      -4.45265672       1.32445024      -2.56177728 
O       4.27768004       4.04805004       8.76371996       0.52566789      -0.37646662       0.55761369 
O       0.91847498       0.60331403       3.85781001       2.41530598       0.66109630       2.35142028 
O       3.58635004       3.66273003       4.09226003      -1.67820962       0.20916744      -2.12894648 
O       8.97541999       1.42921005       1.13640996      -0.01862345      -0.33205075      -1.03018875 
O       0.98134302       3.09758997       3.90901002      -0.26930949       1.80296755      -0.43136734 
O       3.55684997       6.52434003       1.38635996      -0.08330738      -1.57171053      -0.00708984 
O       8.69047000       9.49417004       0.48840003       1.74159573      -0.29266765      -1.00275254 
O       6.71992996       1.02013996       3.91290997      -0.55465347      -1.73402537      -2.88531064 
O       7.93525996       0.81651702       6.51061997       2.02777095      -1.63457896      -0.52299625 
O       6.60728001       8.55197999       1.35106995      -2.40998147      -3.30736175       2.20471742 
O       1.06403999       8.64193002       0.62682405      -0.35955269       1.19217281      -0.04873258 
O       9.24336997       1.04967998       8.65637995       0.23495629      -1.91502566       1.51312719 
O       9.74233000       3.29714997       9.32944999       0.65396816       1.62527086       0.43538601 
O       6.05454998       3.56510997       3.72008002       0.86701270      -0.59323771      -1.25429151 
O       3.39816004       6.11879996       5.27290000      -0.96732827      -0.46966715      -0.05218592 
O       0.93323603       8.98854998       6.06440003      -0.76112663      -1.22116641      -3.62665666 
O       6.16240996       6.04542000       4.27586996       0.03149893       0.70210749      -2.20800145 
O       7.06540002       7.85444001       7.64217996      -1.13578161      -0.58790382      -0.66391170 
96
Lattice="10.54509139 0.0 0.0 0.0 10.54509139 0.0 0.0 0.0 10.54509139" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011397163354488513 0.0010537010639669923 -0.011952021706844269 0.0010537010639669923 -0.036950786637018444 -0.005186302634881139 -0.011952021706844269 -0.005186302634881139 -0.014914168906090184" pbc="T T T" energy=-925.65039486 free_energy=-925.65039486 config_type=crystal 
Hf      10.48680002      10.27529997      10.44360005      -2.70326516       3.18745965      -0.49094765 
Hf       4.59881000      10.21060004      10.17440000       3.23772910      -0.67351081       3.27017918 
Hf      10.01759998       7.75434002       8.02465996       2.45504234      -2.12448118       0.18100711 
Hf       7.71626001       1.65573995       5.52062002      -2.66590624       3.12343677      -5.11336157 
Hf      10.31509999       4.87323999      10.19359998       0.78387075      -1.35265718       2.42258589 
Hf      10.44850004       7.35720998       2.37972997      -0.90991357       2.52416307      -0.35686505 
Hf       2.32560001       4.79998999       2.13069002       1.95503260      -1.83919831       0.99396973 
Hf       7.63288999       5.60874999       2.41619004       0.00757474      -2.50148876       2.68455609 
Hf       7.49850999       7.87369000       0.11990497      -2.96815353       4.57259571      -0.70500899 
Hf       5.29503004       7.69634001       7.71990998       0.99760887      -1.64759622       0.03536327 
Hf       4.68970995       7.63239004       2.49527000       1.74825482       2.91349767      -3.27173233 
Hf       5.31783001       5.32338000      10.08170000      -0.86102095      -2.12244839      -0.05444711 
Hf       2.59538995       7.66130996       5.23116001       1.23706078       2.06581707      -1.83557963 
Hf      10.54501125       4.97060999       5.22361995      -4.31940670      -6.24476430      -3.43086927 
Hf       4.94782005       5.25270996       4.89993995       2.01347624      -4.02062971      -3.34672536 
Hf       2.37256004       4.98274001       7.23731999       3.36807570      -2.80310630       0.73471509 
Hf       2.55269003       7.33802002       9.54124003      -1.80327951      -0.79519531       3.02870191 
Hf       2.41471004      10.23929998       7.60103000      -0.83526711      -1.56475460       0.82639864 
Hf       5.09042005       2.50710001       2.98212000      -5.17830642      -1.12948227      -3.59610238 
Hf       0.12628200       2.37682005       8.04268004      -1.75506884      -1.16813516      -1.45800224 
Hf      10.50390005      10.00930004       5.18857998      -3.09321433      -1.65722144      -2.05831483 
Hf       8.06907999       4.52529996       7.36836995      -2.03876293      -2.38785699       2.00533715 
Hf       7.57307000      10.17709997       8.12736999      -2.20013296       0.71472817       0.53612867 
Hf       7.60239000       2.79450996      10.29910003       1.05048829      -3.85227572       0.51140675 
Hf       7.97299998       7.13709005       5.62209997      -0.95020788       3.79394177      -5.56523362 
Hf       2.12993995       2.01696996       4.82320005       0.78117838       0.90682644      -3.41003709 
Hf       4.77205003       2.30917002       7.62305996       1.98963755       3.68548607      -0.02883837 
Hf       4.91665002      10.27789997       5.36469999       0.88230923       1.53099390      -3.00835414 
Hf       2.54355998       2.18355003      10.49685435       2.19944766       2.35408629       1.17413895 
Hf       2.24545004      10.18099997       2.51120996       5.50750853      -1.05504812      -4.80153239 
Hf      10.08010000       1.98822004       2.50238003      -0.42476392       0.71286914       2.24524242 
Hf       7.40103000      10.32080004       2.55383997       3.03487921       1.84059103      -1.08097042 
O       6.43084996      10.02560001       4.09532997       0.84316606      -1.16000119       2.82618387 
O       3.72723995       3.19207003       1.13672995       0.80816073       0.98996827       1.79918482 
O       6.43277001       6.02451005       6.18436003       0.56978860      -2.03947525       1.01279492 
O       9.25469003       5.91260996       6.47593001       0.40154336       1.41673592       0.19643524 
O       5.99247005       0.72004098       6.74477005       1.28724444      -0.45155888       2.85899967 
O       8.78060002       7.85738001       3.85517005       1.89880327      -0.04277250       0.10512080 
O       1.19743003       3.74439998       8.86487997      -1.96477769       0.48654042      -2.75298336 
O       6.05467997       6.59239000       1.15510003       0.10070343      -1.92692520      -2.09396924 
O       3.75278997       6.07216996       8.65616003       0.40270326      -0.03902364      -0.00653865 
O       1.10194001       8.75311002       3.39454000       0.22668947      -2.80752712       2.30634007 
O       1.52015000       1.11770998       1.40466997      -4.29954352       0.00762130      -1.91049668 
O       3.95686997       8.57931995       9.01524001      -2.68456795       0.18693358       2.31798973 
O       3.83690005       0.68637198       8.72670996      -0.38977041       1.16574648      -1.01770221 
O       0.59127698       5.62030003       2.79036996       1.07517036       0.70115277       0.99517552 
O       8.56969998       0.15812502       6.28198996       0.44406083       0.28315847       0.88316701 
O       1.06938004       9.09691005       8.59830998      -1.87078962      -2.20828257       2.96121475 
O       1.32168000       6.56948005       7.86313004       0.78481702       0.11545970       2.41299474 
O       6.45600000       6.43851002       8.72488998       0.39171996      -1.76100759       3.17766170 
O       6.19686999       3.78961997       0.41486499      -2.06749431       2.93669890       4.07818337 
O       4.19148001       8.81262999       4.26432002      -2.05409232      -1.61776464      -1.46934720 
O       6.19801002       9.01692005       9.54120997      -1.05460564      -1.25011473      -2.03024828 
O       2.96933998       1.00602998       6.33017998       3.24362100       1.12816233      -0.27104795 
O       8.60175000       7.04072996       1.36723005       2.08078923      -2.72700170       2.39874629 
O       3.70348998       0.87047905       3.71215003      -4.22652472      -0.65995583      -0.54936099 
O       9.52683005       0.35094096       3.62855002      -2.05294081      -1.68701539      -0.98679055 
O       8.78901996       4.16388002       0.90184005       0.25819256       1.23051546       0.64749659 
O       1.43265000       0.85401500       9.11787000      -1.86244097       1.76160619      -0.12258454 
O       3.99701998       8.93709002       6.85915002      -3.23425690       1.94612920      -2.91227444 
O       8.35077998       8.45055996       8.89517001       2.70371793      -1.14515028      -0.38109741 
O       6.68104005       1.65952005       2.52185998       3.12264104      -2.80519950      -3.56253218 
O       1.11474998       8.64524997       6.21718996       3.09449918       1.39717332      -0.70756413 
O       1.33784003       6.13709999       5.44029005       3.41404069       2.12536315       0.61076698 
O       3.49352002       8.94803002       1.22729004       0.80835887      -2.54757998       0.22665120 
O       9.66752003       3.42146995       6.56191005      -2.10855055      -0.12745041       0.70941507 
O       8.83824001       2.68554004       3.88242004      -0.28940543      -1.07291533       1.03553634 
O       9.03011997       5.11950995       4.05801996      -2.72589355       1.99949143      -1.86449192 
O       4.19001002       3.93628004       6.41933999      -0.30678435      -0.66040266       0.02580816 
O       1.42428004       3.51481004       6.01784998       0.71621714       1.22604643       1.37946071 
O       1.63552997       4.03234003       0.43842399      -2.51754879      -0.14458449       0.87834582 
O       9.40196004       5.73537998       8.74041995      -1.06327162       2.73141319      -0.48311554 
O       0.34573801       6.60850005       0.43196195       1.17606740      -0.08589522      -1.56255236 
O       3.73046000       0.72051298       1.06051003       1.13793175       0.71830788      -2.04179524 
O       6.39218005       3.59776004       8.79995005       0.15546436       0.88592909      -2.33628376 
O       6.68565005       3.13182001       6.44651005       2.45389871       0.37190780       0.11297315 
O       6.40323004       0.75648704       9.57975998       0.20447783       2.24656582      -0.12814456 
O       3.83967003       6.30487998       5.96357998      -2.58320267       2.78359407       4.36297087 
O       3.50606004       3.50220000       8.81603005       1.21314184      -1.83629265      -0.28387375 
O       1.29546996       0.51070700       3.78001002      -3.20567333       3.39399201       5.46348851 
O       3.45083001       4.09584004       3.78925005       0.14128512      -0.99806058       0.45422536 
O       9.18764002       1.50003999       0.76832295       1.15962757      -0.01280959      -0.11656232 
O       1.11644004       3.16395998       3.06977997      -0.02063720      -0.68170092       1.36161729 
O       3.36605001       6.20602998       0.94487203       0.80083429       0.59619368      -2.01431388 
O       8.38603001       9.62964997       0.73698304       1.88151936      -0.94693508      -0.69092848 
O       5.47319000       1.48245995       4.50792998       2.99838143       2.00883338       5.54871827 
O       9.37365996       8.56826996       6.47140005      -1.73963352      -1.05443870      -0.91739435 
O       6.24682999       9.02438998       1.79541000      -1.88863405      -1.82934570      -1.76882408 
O       0.61493595       8.98734001       1.04089005       0.48823554      -0.55457516       0.68770408 
O       9.09620005       0.52271702       8.87941006       2.24140158       0.97843464      -0.22473544 
O       9.06682997       3.46084996       9.08402996       0.58069954      -2.00247318      -2.08899888 
O       6.07677995       3.94024996       3.51150995       2.56623748       5.78237353       1.32684373 
O       3.54284996       6.60730002       3.55011005      -2.01669064      -2.40013928       1.31598433 
O       0.60769495       0.92897204       6.20017999       0.64555791       1.82587901       2.47829739 
O       6.55156004       6.69522004       3.65396000      -2.06093860      -0.34304513       0.75532021 
O       6.53094998       8.49779005       6.46641001       1.22475430       1.21285069       0.54792734 
96
Lattice="10.55114354 0.0 0.0 0.0 10.55114354 0.0 0.0 0.0 10.55114354" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00762570123130335 -0.00160727199271837 -0.011637829061998006 -0.00160727199271837 -0.007563007550284684 -0.014668954680080675 -0.011637829061998006 -0.014668954680080675 -0.002028189843625011" pbc="T T T" energy=-933.00821416 free_energy=-933.00821416 config_type=crystal 
Hf      10.50659999       0.17482696      10.12429998      -0.66719429      -2.20920218      -2.03749032 
Hf       4.97261003      10.00890002       0.08339624      -2.05837536      -0.74877555      -3.12245177 
Hf      10.54345587       7.51346003       7.74630003      -0.34055436       0.26391965      -0.14526667 
Hf       7.43057004       1.95444002       5.42875000      -0.83279603       3.12598013      -0.88864375 
Hf      10.53170000       5.11938003       0.16421705      -2.41657273       0.85732248       1.58585126 
Hf      10.12549996       7.89705002       2.65968995       1.82886686      -1.83786844       1.58900451 
Hf       2.25081995       5.01940003       2.23324998       0.33813597       0.53678800       0.74174215 
Hf       7.59938000       4.94322995       2.42569999      -0.50271656       0.29122547       1.17906797 
Hf       7.73172004       7.44326000      10.47620003       0.81868780       1.70947324       0.24365897 
Hf       5.15191005       7.63745000       7.91087001      -1.17648177      -0.76525656       2.08956921 
Hf       5.25501002       7.49222005       2.36667003      -0.20683010      -2.29054934      -1.46914646 
Hf       4.85975004       5.16126005       9.90301000      -1.06292656      -0.59811056       5.59060066 
Hf       2.01187000       7.48055998       5.27358003       1.17288473      -3.03836010      -2.37123144 
Hf      10.05669997       4.32284002       5.12602999       0.83899846       2.83093914      -2.38880353 
Hf       4.60567998       4.75901996       4.80200005      -1.05569648      -1.38448573      -0.20161149 
Hf       2.21061999       4.84754997       7.85495001       1.91690903       1.28489500      -1.10263644 
Hf       2.34736999       7.81654996      10.31600002       2.54256837      -0.91146961       2.99743441 
Hf       2.65379999      10.24680003       7.83779005      -0.44174220      -0.77122355       0.32011388 
Hf       5.18337999       2.21494997       2.69520004      -0.93749313      -4.66845658      -1.51106657 
Hf       9.86800004       2.76825004       7.92497995       0.72650536      -1.26676111       0.77347159 
Hf      10.24840000      10.38469999       5.02348005      -0.33206141      -3.51487041       2.11240395 
Hf       7.69486996       5.53399998       7.84276998       1.13357051      -2.54344277       0.05683932 
Hf       7.84951005      10.13609996       7.55587995       2.70519682       0.54610533       2.81485584 
Hf       7.41967999       2.62238997      10.24300003       0.86796288      -2.12816474       1.75763005 
Hf       7.73691996       7.44099995       5.28384999      -0.55420904      -2.95281100      -7.91776544 
Hf       2.18576002       1.91174999       5.11259997       1.59766621       2.95757333       0.31377776 
Hf       4.93901002       2.58837003       7.89870001      -0.99612383      -3.11350264      -1.17132287 
Hf       5.37405002       9.92211000       5.11089997      -2.83279003       0.20474555      -0.24276293 
Hf       2.68026004       2.15182997       0.06715856      -0.33790803       2.56317457      -1.00533331 
Hf       2.70729998      10.03679998       2.83055000      -2.18757437      -0.76190241       1.36351021 
Hf      10.27249997       2.21745998       2.44951001       0.56155765       1.53256366      -1.38162382 
Hf       8.04219999      10.36350000       2.34593999      -4.51865402      -0.34008620       1.18656501 
O       7.00287996       8.25062000       1.63679995       0.68259274       1.19755961      -3.60801767 
O       3.61314003       4.32170999       0.74534101      -0.17837706      -2.37311978       1.85502123 
O       6.24651005       6.40339004       6.60976999       2.24441869      -0.37165344      -0.24273189 
O       9.03156004       6.60946000       6.40352995       1.27027332      -2.34703590       3.32968160 
O       6.44119004       0.60324401       6.52411000      -1.32741131      -0.94629515      -0.14003757 
O       8.65910995       8.90935005       3.87125002       0.45637787      -1.09262468       0.57894944 
O       0.52276896       4.64001995       8.91931001       0.20922963      -4.58721918      -2.49365285 
O       6.07956004       5.77329000       1.43249995       2.13797444      -0.16893052      -2.45023620 
O       3.89950999       6.15033005       8.60466995      -0.47872236       0.11736122      -4.36616561 
O       1.67598004       9.12586004       1.53511995      -1.71684441      -1.62915810      -2.92388484 
O       0.67944099       1.45535996       0.72196896       1.32254471       0.21629666       0.47240101 
O       3.76376003       8.92514996       9.26059002      -0.62418707      -0.19128850      -1.10503336 
O       4.03509999       1.05901997       9.26807004      -1.26763953      -0.85622639       1.61597651 
O       1.33595003       6.52574005       1.05579997      -1.12151643      -2.24839637      -0.46758444 
O       9.02311997       1.09527000       6.22594999      -0.43925921       0.39051816       1.64250684 
O       4.09632996       8.92016001       1.67194001      -0.43456249       2.40656586      -1.43895755 
O       1.09104997       5.87781996       6.52547005      -2.03457912       1.15008039      -0.67520853 
O       6.55730000       6.30613003       9.20687995       0.20929516       1.32266724       1.23894775 
O       6.76469000       3.23107004       1.42404005      -0.64987476      -0.70912164      -2.96284810 
O       0.65813095       9.08063003       3.88303997       1.39826712       0.45770227       1.44090016 
O       7.23652005       8.92832997       6.12891998      -4.04438852       2.70080809       1.99531458 
O       3.55705996       0.99536798       6.72333997       0.78277456       1.80959944      -1.78459188 
O       9.04723999       6.79223999       1.41191995      -0.64933691      -1.66526186      -2.75149967 
O       3.09283001       8.92340997       4.77699004       2.09005433       2.03747530      -3.48054037 
O       9.35574002       0.93827405       3.74794999      -1.33350301       0.90416570      -3.24115618 
O       9.46527999       4.02384002       1.55957001      -1.15921921       0.21488206       0.73367064 
O       1.22471998       1.21746997       8.63469998      -0.06585571       0.52887000       1.66723767 
O       4.28044003       8.78077001       6.75227004       0.48125613       2.60479345      -1.05634979 
O       1.51354002       9.37658001       9.48521996      -4.19176226       2.01027530      -0.87388713 
O       6.08838998       0.18383795       1.29901005       3.82459192       2.75475597       2.09216196 
O       1.40906998       8.60163998       6.77621998      -0.24587095       0.12934101       2.13417938 
O       1.22162005       6.57938998       3.55642995      -0.22421559      -0.50638209       0.64748932 
O       3.85511004       5.85114003       2.90694999       1.17363367       0.13858809       2.22157090 
O       8.37398998       3.76506004       6.97561000       2.01221998       0.24317058      -0.43647889 
O       8.63745995       3.27063999       4.44256004       0.41276393       0.56214658      -1.25921607 
O       9.07589995       5.84211996       3.65952001       0.10315086      -0.02463122       2.47552081 
O       3.25845005       3.84379995       6.30717997       0.80693154      -1.20388496      -0.11891232 
O       0.81119101       3.17850002       6.26421002      -2.04849471      -0.28352758       1.71429672 
O       1.27767996       3.73263996       0.89326203       0.46082680      -0.29011366      -0.11469264 
O       9.24625998       6.25491003       9.39963003      -0.85675929       0.97488033      -1.90996389 
O       1.65407998       6.66343996       8.84242995      -2.09163422       1.92008412       0.17791439 
O       3.60054998       1.21432995       1.50765005      -0.58835120       0.01048568      -1.90865670 
O       5.95930001       4.04294002       8.68071996       3.60749422      -0.01544980      -0.11171541 
O       5.91651998       3.09848996       6.22727996      -0.41640631       0.97703654      -1.49437469 
O       6.53525001       1.51101998       8.93341003      -0.81848964      -0.45448039      -0.58512850 
O       3.66844997       6.19558000       5.68374001      -0.60237621       1.39682005      -0.61071306 
O       3.56868996       3.63621000       9.10126005      -1.61851723      -1.40285743      -1.53275675 
O       1.42207004       1.23213996       3.17894000       0.84639039      -1.36194243       1.99661122 
O       4.22404997       0.32989395       3.68766001       1.92016752       3.03695310       2.58156882 
O       8.61123002       1.43874001       1.02398996       0.78482153      -1.26034959       0.21840192 
O       0.79493202       3.49845005       3.70633005      -0.54805713       1.44484260       0.78253845 
O       4.12006001       6.73242999       0.26290105      -0.73870218       3.26658397       1.67321615 
O       9.57047004       9.49987001       1.63535001       1.27466725       0.72120420      -3.37308556 
O       6.71014998       1.18704005       3.77527998      -0.26004187      -0.88816104      -0.07869340 
O       9.52177999       9.17453996       6.62955001       0.52394012      -0.11154133       0.66901728 
O       6.15556004       8.88823003       9.14848000       1.44699855       1.07612184       0.59870422 
O       8.70788999       8.77611000       9.14281003       0.86879856       0.26195726       0.16046098 
O       9.16996002       0.95120796       8.67216002       0.66078598       1.01183758       1.59004203 
O       8.73171996       3.81002996       9.54183001       1.54346085      -0.14063561      -1.70018858 
O       6.03939997       3.65331003       3.34394997       1.68967616       6.38478952       5.41562307 
O       3.62406996       3.08461996       3.67828005      -0.69193802       0.93011155       1.26158893 
O       1.16922001       0.55061301       6.06538005       0.81606210       0.06026148      -0.34676055 
O       6.46575005       6.70846001       3.61678999       2.46379652      -3.13669105       4.92937907 
O       6.08273995       9.10908995       3.55750997      -0.65015355       0.03598082       1.97388762 
96
Lattice="10.55745722 0.0 0.0 0.0 10.55745722 0.0 0.0 0.0 10.55745722" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.010289292195368928 0.0011276690825121794 0.00360592366971081 0.0011276690825121794 0.03939847572390691 0.0059618748682217695 0.00360592366971081 0.0059618748682217695 0.017251122136708687" pbc="T T T" energy=-935.69864234 free_energy=-935.69864234 config_type=crystal 
Hf      10.29969996      10.19709996      10.47060387      -1.86811482       1.91296028       0.21977392 
Hf       4.90665003      10.28539999       0.29261302       2.80780036       1.41865558      -1.94204463 
Hf      10.11959998       7.76016001       7.62767997       0.89423390       0.60339846       0.86721787 
Hf       7.72352996       2.35121002       4.90604002       0.54311238       3.30656947       0.05041602 
Hf      10.21529996       4.95721001      10.33399998      -0.52296771       1.12027764       1.33916123 
Hf      10.36810004       7.85356996       2.27274003      -1.52616630      -4.56161481      -0.24667176 
Hf       2.24197000       4.83367003       2.88522003      -1.58528682       2.95440597      -2.01139813 
Hf       7.65419998       4.90690003       2.33240001       1.45975317      -1.12976275      -2.52877815 
Hf       7.39948000       7.94320003      10.47830005      -1.05475044      -1.58741748       0.97220568 
Hf       4.91642001       7.74628001       7.88092000       0.09115059      -0.01619134       2.13258698 
Hf       5.23904999       7.51061001       2.54624996      -1.70339343       0.07056757      -2.05484368 
Hf       4.92778997       4.71590001      10.54745783       0.19117668       1.95248680       0.63674844 
Hf       2.59627003       7.85260005       5.19143998      -1.15538288      -1.50878642       2.74345657 
Hf      10.40239995       5.14446995       5.25034003       0.23278326      -1.28404989       0.42386641 
Hf       4.98395005       4.95718003       5.00650004      -2.80209347      -1.44494364       2.75489824 
Hf       2.33786001       5.05864997       7.69911996      -0.26874268      -1.02795839       1.49891522 
Hf       2.66529004       7.60590004      10.43840004      -0.85947480      -3.20686610       1.27207661 
Hf       2.45343999      10.10489999       8.02310995       0.98098119       0.09184562      -1.21517812 
Hf       5.08929996       2.21135000       2.70580998      -0.82890534       0.62844008      -1.98852683 
Hf      10.51113152       2.09359001       7.75178995      -1.95372188       0.98602064       0.35695751 
Hf      10.06080002      10.09250005       4.76273004      -0.00232893       3.84594846       5.98340819 
Hf       7.34436004       5.36364002       7.58916995       1.90277175      -2.72914137       0.29132971 
Hf       7.65386003       0.07893695       7.65240004      -2.98293290      -3.24722812       0.39933732 
Hf       7.46887997       2.31390999      10.23820003       0.64466403       1.55491784       1.94953398 
Hf       7.59388998       7.66447999       5.09718997      -0.58469034      -0.58076676      -1.14226655 
Hf       2.29333003       2.07658997       5.45224000       2.13307929       2.73294649      -2.28104701 
Hf       4.96928004       2.51541997       7.59412003       1.80150706      -0.31488588      -1.01322864 
Hf       5.16955004      10.26750004       5.10648000      -1.46076192      -1.26265101      -1.30597556 
Hf       2.58639005       2.45838996      10.13989997      -0.86529586      -1.56018767       1.54286936 
Hf       2.43875002      10.01949998       2.49122998       0.50378237       1.74822166       0.53864660 
Hf       0.16941499       2.17110001       2.46295996      -1.59853866       1.64377075       0.90459489 
Hf       7.95952998      10.41239997       2.64559004      -2.02011156      -0.75606487      -6.01782182 
O       6.62254997       8.88182998       1.59339004      -0.98072929       0.28762079      -1.87320443 
O       4.01576999       2.93048999       0.84987805       0.77729570       0.56029741       0.07566687 
O       6.25034998       6.13668998       6.01330001       0.63889250       2.91714162       0.07210621 
O       8.69535002       6.52751997       6.37720997       1.25297529       0.50370744       1.36216525 
O       5.82703005       0.97330095       6.38905005       1.72924878       1.59910271       0.90062701 
O       9.14917002       8.82101005       3.53667004      -3.97836151       1.00332956       2.49380157 
O       1.74427996       3.18969003       1.73724996      -1.26150776       0.92637737      -2.45955505 
O       6.08936998       6.25279002       0.82543099      -0.76965606       1.41576849       0.86781600 
O       3.80803998       3.49232999       8.94438998      -1.16069814       1.03820342       0.86915703 
O       1.13844999       8.78357003       1.23250004       2.01020958       1.80150188       0.54907460 
O       1.00959000       0.81065203       1.31807995       1.22230257      -2.22074240      -2.62303256 
O       4.31826003       6.36855000       9.25477004      -0.78955620      -0.17926414       0.11444361 
O       3.57504999       8.83607005       9.14878003      -2.29264956      -1.48392594      -1.68487982 
O       0.76683404       6.21693003       1.59674995      -1.44756805      -0.80127756       0.60162067 
O       8.55244998       1.07298003       6.21762999       0.87053446       1.67447308      -2.06688127 
O       3.68851003       8.94474999       1.14732997      -0.89819408      -2.88007491       0.48035627 
O       0.81381399       6.21555999       6.98946996      -1.90189509      -0.18597137      -0.07579970 
O       6.71178001       6.90207997       8.51733999      -0.66048453       0.94780779       0.14355282 
O       6.40714997       3.84978997       1.12548005      -0.13035237      -1.07164027       2.06087874 
O       0.91928795       9.07131997       4.32319997       5.11963012      -4.31380001      -3.07613588 
O       6.62215997       9.08191005       6.11208002      -1.00003380      -0.09412137       1.54990733 
O       4.05942000       1.54093003       4.22580004      -0.75734043      -2.17194287       2.83786571 
O       8.66756997       6.02258002       0.87976199       0.31884494       0.68540296       2.06633477 
O       3.57497999       8.84795004       3.87165003      -0.96586282       1.68686524      -1.09135681 
O       9.37083999       0.90272699       3.53645995      -0.61206496      -0.94276709       1.40761791 
O       8.85259997       3.37712005       1.11208000       2.26590446       2.07412422      -3.62434709 
O       0.32571498       8.63269996       9.52485999       0.70261863      -2.31639264      -3.11425570 
O       3.86476002       9.17922996       6.60533001       1.15692169      -0.41775366      -1.74725064 
O       8.14397003       9.15334001       9.26375000       2.37826196       0.24751592      -2.18426095 
O       6.25097002       1.18739996       1.08536002       0.99469822       0.42619885      -0.44116710 
O       1.38727004       8.71058000       6.86684002      -1.42763249      -0.56788156       0.52904361 
O       1.87074003       6.12261995       4.53854001      -2.38389104      -0.09733937      -0.24017146 
O       4.14451005       6.32799005       3.92939996       0.55504096       1.80878526      -0.76561017 
O       8.93260997       3.78568002       5.83224997       1.00436088       0.75326483      -0.09443041 
O       8.64794999       3.03264996       3.22075999      -1.18017266       1.80855150       2.61022067 
O       9.52649999       6.30166999       3.91787998      -0.08107175      -0.10134589      -0.48694356 
O       3.71920996       3.58334002       6.43515996       0.70277578       1.33904642      -1.27215466 
O       1.08903001       3.56726999       9.06028004      -0.63201491      -1.15214106       1.25457543 
O       0.95161604       3.65207002       4.08398995      -1.56188039       0.38746794      -0.22338905 
O       9.06207998       5.96081003       9.12038997       1.30843559       0.32020751      -2.54923349 
O       1.70031005       5.95297998       9.85333996      -1.86899863      -1.15322080      -3.17643851 
O       3.46730998       0.53240296       9.71794997      -1.41465485       3.05566544       0.90807107 
O       6.38508003       4.00337997       9.29620004       0.24224399      -0.69691666      -1.65873038 
O       6.32553998       3.79672999       6.57247996      -0.38813383      -1.44631688       1.11753841 
O       6.32438995       0.86168203       9.07127996       1.19563389       3.56531005      -0.92411836 
O       3.52118004       6.39405999       6.82506997       0.65589315       1.41139705      -1.31383844 
O       3.39129998       1.14093997       7.20878002      -0.59582369       1.04683614      -1.07037467 
O       1.40715005       1.03263999       3.74137998       0.97215943      -0.31922548      -1.57532765 
O       4.33924002       0.25859700       2.11725001      -2.60236617       2.29515050       2.50797910 
O       9.03872002       0.89623405       1.03293000      -1.25244442      -0.02790111      -0.45666163 
O       1.31272996       3.63374998       6.59455001      -1.32702221      -0.91211577       0.02119095 
O       3.31173001       6.12226005       1.15999998       1.86869598      -0.54790706       1.49214714 
O       8.94886001       9.05603995       1.23678004       2.46038925      -1.78662891      -1.46625379 
O       6.54064004       1.02338997       3.58456997       1.09005186      -0.43681427       2.11360007 
O       8.97463995       9.25816996       6.32587000       2.21893952      -2.88418464       0.18853630 
O       5.77899003       9.19863995       9.47731005       1.04220147      -3.84706434      -0.38314403 
O       9.27407002       0.50074801       8.47229998       2.45643351       1.10793894       2.16630885 
O       0.99220102       0.69504302       8.75923003       0.68901491       1.31854539       1.88695575 
O       8.90550001       2.95319000       8.72644996       0.50594710       0.16085283       0.45957599 
O       6.06745998       3.76569001       4.07085996       3.05749908      -2.35634896      -2.87433243 
O       3.58413996       3.82654995       3.60919999       2.99029983      -1.26066520       0.67116583 
O       1.01291000       0.83314300       5.98115995      -3.17495464      -0.96702262       3.33011015 
O       6.73806998       6.60888999       3.35386999       2.64063906      -1.95748941       1.46562202 
O       5.93870999       8.89812995       3.77548997       1.85988686       1.07082887       2.28742616 
96
Lattice="10.56350164 0.0 0.0 0.0 10.56350164 0.0 0.0 0.0 10.56350164" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.008218389314297503 0.015078545234255862 -0.0021404769832976457 0.015078545234255862 0.021492589070988898 -0.004934084599270168 -0.0021404769832976457 -0.004934084599270168 0.002208008326968093" pbc="T T T" energy=-928.69840638 free_energy=-928.69840638 config_type=crystal 
Hf       0.18186896      10.33560001       0.03827970      -2.24684762       0.91020103       0.07183861 
Hf       5.38248997      10.25389998      10.47590000      -2.98138238       2.43672572       2.29483521 
Hf      10.34829998       7.42808999       7.89733002      -0.00234931       3.77409531       0.82017731 
Hf       7.95373997       2.02973004       5.20414003      -0.18693530       0.14946731      -2.63466737 
Hf      10.40950005       5.05448997      10.49250001       2.50910310      -2.46227768       0.22952242 
Hf      10.24330004       7.24442999       2.29535996      -2.01226157       2.98832483       0.17513978 
Hf       2.37699998       4.69914001       2.38359002       0.57050256      -0.69912503      -0.93646580 
Hf       7.53330003       4.70770996       2.71605004       2.55986536       1.23522133      -2.69024337 
Hf       7.71290998       7.42053000      10.28240000       4.11432181       2.42197866      -0.89700925 
Hf       4.65390002       8.21831998       8.06320996       1.38703428      -2.28293109      -2.99944972 
Hf       4.79914003       7.50504002       2.67849996       0.24617245      -0.76357413      -3.42435119 
Hf       5.40368004       5.59018003      10.40220003      -4.19516809      -3.88055791      -0.22806731 
Hf       2.64922005       7.52691999       5.41465002      -3.41225818       0.63003186      -1.63375946 
Hf      10.03490000       4.89079996       4.77002005       1.41285708      -3.06734091       0.63102987 
Hf       5.07200003       5.51776998       5.27304005      -0.64081269      -4.77052656       2.28302673 
Hf       1.89906999       4.93885998       7.43292997       0.43979078      -1.81265850       1.50382864 
Hf       2.59569003       8.15778002       0.03596112      -2.79055756       1.77108783       1.92757950 
Hf       1.85603999      10.46009996       7.65093001       4.06323884       1.27750422      -0.59081291 
Hf       5.43328996       2.50470997       2.28488995      -4.46661629      -1.26109802      -1.01884336 
Hf       9.87872001       2.25289004       7.95949000       5.08986325      -1.57054277      -0.83555051 
Hf       0.01665167       9.89119001       4.97156004      -0.28737526      -1.31335617      -1.92969730 
Hf       7.73769999       4.97147997       7.45215005      -5.41367115      -1.46474105       1.23963772 
Hf       7.51709995      10.14180000       7.86776004       2.75352951       0.42931456       0.88893327 
Hf       7.46940997       2.44922000       9.98877004       0.96227539      -0.83968450      -0.10002905 
Hf       7.61137001       7.65461002       5.45672001       1.97053574       3.34350472      -0.96682862 
Hf       2.06608000       2.40132002       5.06380001       1.36383116      -1.76005210       1.86812206 
Hf       5.11895004       2.51947004       7.44566005      -1.64381231      -0.95134717      -1.10744119 
Hf       4.86106000      10.43380001       5.22226996       1.58396677       1.41136197       0.69770416 
Hf       2.74404998       2.78928004      10.03590005       2.40915114      -0.41114273       1.44357071 
Hf       2.80495997       9.89751005       2.86684001       1.10260729       0.41654154      -1.45080948 
Hf      10.34909995       1.98562996       2.28877003      -3.34320782       2.81549575       1.38478408 
Hf       7.64358996      10.34430000       2.32256996      -0.77351857      -2.39638433       2.61529330 
O       5.60719002       9.46404996       2.06352004       0.53514574      -1.49226321      -1.56445730 
O       4.39166003       1.99322005       0.42710403       0.90123682      -0.42732833       0.05849995 
O       6.14691998       9.21242999       6.82613001      -2.41453893      -1.02530185      -0.65064805 
O       9.08837001       6.26325002       7.10564005       1.38771179       0.58818592      -2.30267669 
O       6.56904998       3.48466996       8.36111000      -1.75707217      -1.95739297       3.82721286 
O       9.08482004       8.69576997       4.10540002       1.60397551       0.26453198      -0.11399026 
O       1.38150003       3.54860999       0.73438805      -1.85808566       0.66465525       1.06851133 
O       6.48708998       6.71553997       1.01134996      -2.86469578       0.66890067       2.25918737 
O       3.80963000       4.32968999       9.37603000      -0.36809901      -0.25654264      -1.15829865 
O       0.66647002       8.65605004       1.08938002       0.18446860      -0.40795315      -0.17322230 
O       1.03020000       1.12279005       1.30411995       3.86696342      -2.59260170      -3.11942160 
O       3.77433005       6.43448005       6.65670000      -0.19376544      -0.13483486       0.73819285 
O       3.84343004       9.40448998       9.24001003      -1.85777238       1.78606251      -0.10781345 
O       1.51875002       5.86821995       0.86349400      -2.21001906       2.32010859      -0.89795075 
O       8.62228001       1.20456000       6.89148998      -0.63713220      -1.17510723      -1.78006415 
O       2.84905002       7.94604002       2.12479997       2.17591803      -0.73635289      -1.77896112 
O       1.02591999       5.63461001       5.85147997       1.05343428       2.73148881       0.38747579 
O       6.86543004       5.90750002       9.18356005       2.04513785       0.18491172       0.42124163 
O       5.92237005       4.15160002       3.53119997      -2.55892439       0.03562577       1.84489038 
O       1.37938997       8.62211997       3.78706995      -1.72935514       0.73315759       1.68863637 
O       6.22414003       0.93269804       8.78884002      -0.97985672      -0.12011097       0.55383553 
O       4.01175003       8.61218003       4.39304005       1.15785752       0.85732572      -2.37147081 
O       8.66743000       5.78036996       1.51444000       4.01502601       0.92755270      -1.93422256 
O       3.29169000       5.89677003       3.93769999       2.15946972       1.19653089       1.46040224 
O       9.69354003       1.01636002       4.15618004      -0.91282965       0.02280503       0.09501964 
O       8.98740005       3.08092004       0.79533597       2.15746656       0.17222337       0.07289774 
O       1.27652998       9.17138001       9.21857003       0.11170347      -1.58896150      -0.17050895 
O       3.28417998       9.05934003       6.56491996       2.36294642       0.31232820       2.20128729 
O       8.57170999       8.81599001       8.95313997       0.82695008       0.65914200       1.87176170 
O       7.12384001       1.62371996       2.99525997      -0.11812136       0.90430195       1.70820484 
O       1.09739000       8.39793004       6.42580995      -2.72130843       0.82943876       0.75775551 
O       0.96060301       3.24442995       3.73045000      -1.21116036       1.27759221      -1.63870797 
O       4.47488004       5.37964004       1.51427004      -2.49452389       0.61618156       3.04999208 
O       8.40639003       4.00789002       5.93175001       1.57740668      -2.26536985      -2.12530175 
O       8.71731001       3.48950995       3.58744005       1.60255026       0.02003566       0.39505353 
O       8.73685999       6.25548996       4.21783001      -1.40830629      -0.46368909       0.38011145 
O       3.61970004       3.78443996       5.89244998      -1.66901681       0.13968493       0.64652278 
O       0.71158504       3.92196999       8.83043000       0.66780329      -0.32660774      -0.24628378 
O       1.99424999       0.67651897       3.94734996      -3.22516865       0.13103972       1.23394431 
O       9.66896003       6.74672004       9.62928003      -0.93397255      -1.79660742       2.17432441 
O       1.34265000       6.37252004       8.80155002       0.76498285      -0.01247619      -2.52695475 
O       3.24289000       1.58265001       8.56087997      -0.95568366       0.17704100       0.41046272 
O       6.51829996       3.56193997       0.84990501      -0.40269924       2.01600170       1.29569441 
O       6.33819996       6.50992997       7.06212001      -0.09097684       1.43309458      -4.80119929 
O       6.89384997       0.80182999       0.75197702      -0.42500980      -0.26907200      -1.19045963 
O       0.50917103       5.65405996       3.13053998      -0.20843951       0.03205070       0.74289114 
O       3.50470998       1.05936002       6.39755998       0.57107423      -0.54548455      -1.85049514 
O       4.29005003       1.09339003       3.76159998       1.94237885      -1.66589992      -0.49560677 
O       3.51487999      10.14119999       0.97195898      -1.42225304      -1.19624679      -0.85597439 
O       9.48963001       0.21197303       1.58104003      -1.53391174       0.59111460       0.52891129 
O       0.41926496       3.30615999       6.23294999       1.29839779      -0.09867671       0.64364763 
O       3.96923004       7.04105005       9.99867005       2.61419624      -1.30679182      -2.16182217 
O       8.53387998       8.36088996       1.26994998       0.32351488       0.68308362       1.10114689 
O       6.25599004       1.37578000       6.09927004      -1.38352650       0.41992532       0.02926311 
O       8.76403005       8.76947997       6.80541001       0.78803933       0.40300001      -3.81003117 
O       6.13276003       8.71137997       9.38342002       1.34538236       0.04833262       0.98976548 
O       8.92398999       1.05775004       9.32487002      -1.44122155      -0.03133307       1.28248116 
O       0.59780398       0.82238403       8.82520001       0.76801723       1.66368484       1.04540928 
O       8.74503001       3.60559005       8.48970003       0.51125629       1.83729091       3.49659295 
O       6.03118003       4.02724003       6.35918003      -1.58176455       2.38310983      -2.91340167 
O       3.18805001       2.91314998       2.43572999       1.64200710       1.77246962       1.24458899 
O       0.74680798       0.82471000       6.24932003       0.44145163      -1.34501403       0.54439945 
O       6.43426001       7.36423003       3.66943004       0.08337839      -2.25985865       3.63682032 
O       6.82434002      10.03539997       4.38688998      -0.05991033      -0.30964769       0.22191124 
96
Lattice="10.56946005 0.0 0.0 0.0 10.56946005 0.0 0.0 0.0 10.56946005" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.018114448596502703 0.00013403509776142654 0.0024356523615052367 0.00013403509776142654 0.005163077629899217 0.006048329044497814 0.0024356523615052367 0.006048329044497814 0.039170328168104056" pbc="T T T" energy=-931.28924504 free_energy=-931.28924504 config_type=crystal 
Hf      10.34309995      10.10420003       0.16182404      -3.27588376       3.98772263      -4.38139197 
Hf       4.68440996       9.90928999      10.49731228      -1.71879941       2.63252276      -0.78032663 
Hf       0.22614300       7.71900996       7.27201005       2.39677164       0.28347695       1.30508486 
Hf       7.88455000       2.45398997       5.47321996      -1.11886338      -5.26977425      -5.26873682 
Hf      10.56109453       4.87873001      10.18200003      -2.99570844       2.66914648       1.28832352 
Hf      10.05030001       7.77249005       2.45344004      -2.16403273      -0.25473552      -0.40538438 
Hf       2.17650000       4.82211998       2.47265003       1.24866745       0.15949194      -1.21551309 
Hf       7.44529001       4.93836998       2.68470997      -1.72450734      -1.93002367       0.63190313 
Hf       7.46513998       7.56784004       9.94395000       4.75569686      -0.80786233       2.47743236 
Hf       4.89722001       7.38162000       7.42962004       1.84320636       1.64679227       1.92433835 
Hf       5.12905995       7.44979999       2.25562995      -0.00924528      -4.20315455       1.48742650 
Hf       4.88263997       5.21123000      10.17329999       0.58066623      -2.12511814       2.43044398 
Hf       2.65602995       7.63055002       4.89514004      -2.13951973       1.33910757       5.30898485 
Hf      10.32579996       5.05020005       5.07132998      -1.07061146       0.13610500      -0.13877476 
Hf       5.16686004       4.75042997       5.38020998       1.12729492      -0.12270723      -4.37133656 
Hf       2.55416001       4.81602003       7.61255996      -1.41528439       1.20043209      -0.41744687 
Hf       2.05249000       7.48825000      10.43719996      -0.31841633       0.00650453      -4.38780262 
Hf       2.50159999       0.04385586       7.67001998      -1.22521937      -1.46913222      -0.56409149 
Hf       4.97167995       2.50365998       2.42724004       0.74784569      -0.35970011       1.76928479 
Hf       0.01878648       2.15642996       7.84918004      -1.79644702       0.96140896      -1.59517402 
Hf      10.30650002      10.50759996       5.16967997       0.43279949       1.61702437      -1.41207850 
Hf       8.13346005       4.80375005       7.61410003      -1.09649661      -0.46566329      -0.08950616 
Hf       7.23110000      10.17810000       8.35528997       4.21525509       2.39555499      -2.67618750 
Hf       7.41649996       2.47290000      10.43360000       2.81541983      -0.18776998      -0.68728657 
Hf       8.14008995       7.89923003       5.36712002      -2.71134488       2.38237421       0.01497449 
Hf       2.54455005       2.46551998       4.94236999      -0.97572878      -2.24141743      -1.67861157 
Hf       4.96974003       2.33162997       8.08330003       0.12281308      -1.22176009      -0.93235579 
Hf       4.99021001      10.18079997       5.14881005       0.96014278       2.12688572       1.38355883 
Hf       2.41525004       2.28172996      10.49019999      -0.50494250      -0.51784138       2.24307806 
Hf       2.51821000      10.28500005       2.38082002      -0.77511760       4.05523943      -1.51750598 
Hf      10.12060003       2.75473000       2.48186005      -2.18483431      -0.97832140      -0.40615675 
Hf       7.59545001      10.37600004       2.59468005      -2.45531819       2.11125665       1.14326328 
O       6.66513998       6.78860005       1.14532001       0.91407607      -0.80056850       0.27403133 
O       3.98668005       0.92415395       1.16453000      -0.23177654      -0.91885409      -0.05639982 
O       6.70698997       8.52883998       7.10054001       1.06643744      -0.79691576       0.79404564 
O       9.31067995       6.12976998       6.63426003       0.88220620       1.45310729      -0.55642849 
O       5.95678999       3.60174000       9.26603001       3.38387723      -0.28039729      -0.08771471 
O       8.93196996       9.72518004       3.77489999       1.73240737      -2.54279725       2.89099778 
O       0.95350999       3.63999996       0.74035802       0.22760637      -2.39535940       3.05781504 
O       6.08411002       3.94965005       1.41454001       0.56718960       1.00488640      -2.99031058 
O       3.12494996       6.61347001       8.64116998       1.92719197      -0.56385777       1.37655108 
O       0.66616199       9.08055004       1.48378995       2.75692696      -2.44210125       3.06248599 
O       1.36045999       0.78373698       0.74242297       3.13369799      -0.22352538       0.52094052 
O       3.83536005       6.07184998       6.38892997      -0.93608501      -2.18046016      -1.31056779 
O       4.26584000       9.26276996       8.37467003      -0.68322518      -0.57443754       1.07037766 
O       1.70483995       5.82041996       0.66432301      -1.50597534      -0.95377607       0.99223772 
O       9.40549995       1.36519997       6.31890001       0.84072376      -3.80089162       0.94413048 
O       4.05192998       6.34586999       0.93572402      -0.25132413       1.72117914       0.41013737 
O       1.33365997       6.29252001       5.96998998      -0.74442303       1.50039388       0.25754978 
O       6.03989004       6.36558996       9.17264999      -0.52330189       1.59625158      -1.92762333 
O       5.55482000       5.49946002       3.30329998       1.55068028       3.78125505       1.13540373 
O       0.12794004       8.29303004       4.28359003       2.36301619       0.10209154       1.33500990 
O       6.19069996       1.08950005       9.40467997      -1.57840659       0.95321316      -1.74480427 
O       3.01444996       9.35583998       4.03776997       0.80079023       0.47548320      -1.53714047 
O       9.69611001       6.67005996       0.66339797       0.75242792       0.27429551       0.61851178 
O       3.14085996       6.51385000       3.56297999       0.48439082      -1.76164029      -3.52955799 
O       8.53746001       1.43675997       3.77924002      -0.07586643      -0.98445701      -0.37471892 
O       9.07430000       3.97759000       0.90394303      -1.84752782      -0.53813506       1.24794873 
O       1.15513999       8.89060998       9.29592002      -0.58630901       0.35089540      -0.19409845 
O       3.96483995       1.01618002       6.37878995      -0.27908985      -1.35482157       1.03250595 
O       8.89503995       9.10750999       9.11998998      -1.20938171      -2.25235290       0.45438978 
O       6.33789005       3.34568997       3.79874998       0.46592639      -0.14118163       0.48146080 
O       1.72206997       9.21593003       6.45522998      -1.29951135      -2.83236946       0.05027407 
O       1.22436002       3.32391001       3.37275000       1.18530437       4.21916345       1.53493499 
O       3.38957003       3.59644998       1.30062998       0.68440806      -1.27706611      -1.49589546 
O       9.27227001       3.47578004       6.22638996       0.37849576       6.16119818       1.78980381 
O       8.79929999       3.69546997       3.84618001       1.30810334       3.35912940      -0.86133599 
O       8.42372997       6.34609998       4.25179001      -0.18941201      -0.23173415      -1.83986252 
O       3.99134995       3.36922002       6.30163997      -2.37456805       1.46130156       2.47163297 
O       1.44428998       3.25264003       9.07653005      -1.43168058       2.45608674      -3.59889240 
O       0.94304697       1.35941996       3.95645996      -1.28481987      -4.72903928       0.13855091 
O       8.59935001       5.78660001       9.21324000      -0.83217306       0.67568345      -0.54547137 
O       0.75352196       6.49250001       8.79059001      -0.81323179      -2.63812908       0.18674298 
O       3.54548997       1.01464005       9.06753005       1.35188115       2.85467786       1.43227360 
O       6.71043001       1.51388998       1.35851997      -0.00462132      -1.40539892       1.58630502 
O       6.44140005       5.98115999       6.34080997       0.44065660       0.69505402       0.96096876 
O       5.69540999       9.09852003       1.58394002      -0.58672013       2.95601681      -0.41116453 
O       0.16296501       5.94950002       3.15165001       1.83819786      -2.08231876       0.66358602 
O       3.77748000       3.96235000       9.09324999      -1.91394065      -0.78694347      -2.08659850 
O       3.54478002       1.28553996       3.66861001      -1.81666978      -0.31794438      -0.67182061 
O       3.08595997       8.86496001       0.76986002       2.27613367       1.94962454       1.94064534 
O       9.86569002       1.23605999       1.45942005      -2.06516053      -2.72792010      -0.61332668 
O       0.99174501       3.91143004       6.36777995       2.45824276      -0.41193261       0.51849856 
O       4.49151995       8.40440002       5.84114995      -2.18459172      -2.02414545      -1.27187157 
O       8.58597996       8.98519005       1.45082000       0.08573620       0.28919099      -1.36279292 
O       6.90126996       0.61946104       6.55102998      -1.38423774       0.64045886       0.45377640 
O       9.49121003       9.03093002       6.54642000      -0.96449832      -0.28162857      -1.05495230 
O       6.36460996       9.32444002       9.82827001       1.14968560      -3.80732873       0.90107213 
O       8.83721000       0.93606404       9.72613996      -1.60837161       0.21978504      -0.27593009 
O       0.88869098       0.80166501       8.82883000       0.73977565      -1.42127192       0.62097497 
O       8.95643995       3.23946002       8.79046001       0.46011699       1.47933153      -0.80153567 
O       6.42685996       3.46283996       6.22329004      -0.34108132       0.47030650       4.20887741 
O       3.69112000       3.80082001       3.66794001      -0.64081607       0.80886583       2.13816079 
O       1.32625997       1.14558002       6.37128003       0.87400488       1.17005595       0.68537903 
O       6.53962003       8.97361004       4.15682003       0.89665488      -2.33337046       0.39702838 
O       5.73889000       0.61450904       3.83742004       2.64156992       2.18002418      -3.91763072 
96
Lattice="10.5757407 0.0 0.0 0.0 10.5757407 0.0 0.0 0.0 10.5757407" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.021874243909826 -0.005876344241809574 -0.002122211918372789 -0.005876344241809574 0.008559683465579627 -0.019940661313636865 -0.002122211918372789 -0.019940661313636865 0.003112577730356556" pbc="T T T" energy=-932.07019138 free_energy=-932.07019138 config_type=crystal 
Hf      10.33489999      10.35259997      10.29020004       0.06719843      -0.31082283      -2.88393834 
Hf       5.00905004      10.23429995      10.29700003       0.22545723       1.28171308       1.54168689 
Hf      10.20420002       7.78587003       7.90418000      -2.70636556       0.28359118      -1.23288279 
Hf       7.79614003       2.08134004       4.75565995       0.76129291       0.43752759       4.58748471 
Hf      10.16240004       4.73009003      10.31549996       1.54255291      -0.34213389      -2.89066473 
Hf      10.43030005       7.52022001       2.37680000      -1.27008599      -0.54343433       0.80904926 
Hf       2.25245996       5.10283000       2.69324996       1.24682125       1.13717141      -1.40737924 
Hf       7.90315997       4.68804004       2.26450002       0.32206818       3.20528014       1.05245463 
Hf       7.51347005       7.83623996      10.54532593       1.41389167       0.46257684       0.62843266 
Hf       5.30738999       7.40853004       7.97597997      -2.36501974       2.61537706       0.34578384 
Hf       5.04141001       7.42700004       2.80555005       1.87187326       1.51489272      -2.68850054 
Hf       4.93571997       5.12335000       0.05392528       2.43459082       1.70039374       1.33602931 
Hf       2.45447004       7.61815000       5.26537004      -4.78855752      -1.55946360      -5.33798982 
Hf      10.16400004       5.16950000       5.24841004       2.04514848       2.19229453      -3.87128844 
Hf       5.04930998       5.14824995       5.12034998      -1.13648020      -1.50341584       0.90270857 
Hf       2.19114002       5.12403996       8.06048997       1.58862821      -1.42660080      -3.04393719 
Hf       2.54182999       7.51649999      10.07620003      -0.34246506       0.53909853       3.02356436 
Hf       2.44735003      10.03759995       7.67672003      -1.18940466       2.93695700      -0.45793470 
Hf       5.22318997       2.68633004       2.62574998      -1.40443445      -2.56904862      -2.10365350 
Hf      10.43009995       2.49409998       7.50205004      -2.45768538       0.26933503      -2.06773858 
Hf      10.49879997      10.42430001       4.78789999      -2.17806369      -1.47211957       2.71971040 
Hf       7.71037997       4.57078003       7.47245003       0.44110181       3.47661334       1.49552179 
Hf       7.41774003      10.27799997       7.60840001       3.08517971       0.30299541       1.29781397 
Hf       7.63962002       2.22921004      10.29389996      -0.98898980       1.46238054       2.01640053 
Hf       7.64955000       7.97282005       5.34454003      -1.78639794      -1.50435033      -3.81922472 
Hf       2.55592999       2.18285001       5.24830999       0.71079572       0.65348744       0.28803682 
Hf       4.91226996       2.75800004       8.18769001       0.90091183      -0.42405491      -0.69247272 
Hf       4.86805004       9.72492998       5.00069002       1.84059805       1.95099714       1.36887662 
Hf       2.29428004       2.19087996      10.45699998       1.21993339       0.38713341       1.58894389 
Hf       2.12123004      10.30579999       2.15019001       1.65272122       0.85157121      -0.01097603 
Hf      10.30279997       2.60337996       2.36924004       5.36788128      -0.24180882       2.67911584 
Hf       7.90144004      10.27180005       2.44841003      -1.85986222      -0.91878781       1.43151595 
O       6.37606003       5.95991996       1.86894003      -0.96346039       0.58077508      -0.73879891 
O       3.13435998       1.71494001       1.80044001      -0.17120582      -0.46932287      -1.12733846 
O       5.96552997       8.66646003       6.31944005       1.92676388      -2.33404841       1.62525436 
O       8.31387002       6.17411996       6.01881997       1.96573518      -0.35147282      -0.29429189 
O       6.34644996       4.10933001       9.04287000      -0.46288552      -1.85159184       1.24347946 
O       8.51589004       9.61534997       4.46672997       1.62945817       0.20509421      -2.96274127 
O       0.90154298       3.42497002       0.80475200      -0.02278463       1.72934800      -0.04186411 
O       6.69722000       3.38783003       1.27339998      -1.52801047       1.79868672       0.82550725 
O       3.87838005       6.32899005       9.00576004      -2.35431735       0.76598262      -1.49676359 
O       0.86772197       8.96999997       0.95635503       0.34706107       1.64370861      -0.12431705 
O       0.85289901       0.94429298       1.08522995      -1.44674997       0.20497457       0.85321042 
O       3.74995005       6.36822002       5.85171998       0.52992924       1.01788476       0.81647842 
O       3.73044997       9.08069001       8.99049005      -1.08018891      -1.01512821       0.77899359 
O       1.07367003       6.59846003       1.16120004       0.97551198      -2.35575473       1.23959846 
O       9.29507001       1.28778003       5.94374997       1.21085745       0.16561854      -0.84779743 
O       3.94944004       6.74660997       0.79340603      -0.39947747       0.43939163      -0.05084884 
O       0.85353895       6.49427005       6.97634996       1.24367618      -0.89194840      -1.37067921 
O       6.29308996       6.58233995       9.76307001      -0.99836061       0.04161243       0.18009328 
O       6.27047003       6.76897999       4.26392999      -2.72085090      -3.12589007       1.37294210 
O       0.62006699       8.54733003       3.84290002       0.19713210       3.80267611      -0.18706054 
O       6.63830001       1.42840004       8.93805003      -1.55710213      -2.67588883      -3.59015207 
O       3.59516002       8.75056002       3.96602999      -1.34070917       0.03177294      -1.66691100 
O       8.80385995       5.78979997       0.66821496      -0.37855023       0.33019091       0.57846462 
O       3.32425999       6.69687004       3.22323999       1.31968261      -1.58953088       1.42345392 
O       9.25492999       1.13284003       3.34589002       1.24993149      -0.56768735      -0.93535285 
O       8.93431996       3.12336999       1.24133000      -0.24314909       2.53389542      -1.75450667 
O       1.02509999       8.84509995       8.73698997       1.41217197      -0.44805312       1.79122180 
O       3.90000003       1.15584999       6.56814995      -1.44992506       1.27097254       1.69832314 
O       8.93769003       8.73444999       9.27913004      -0.21112171      -2.27970394       2.30437258 
O       6.50240005       3.68007000       4.20632002      -1.04773848       0.35896386      -2.01162588 
O       1.07840997       9.32764995       6.29193001      -1.27548369       0.47068846      -0.80973208 
O       1.11354004       3.90761002       3.46518998      -3.06004679      -4.23922957      -0.79803374 
O       4.11269997       4.23472995       2.00478003       1.11051514       0.25288553      -2.57748749 
O       9.23730002       3.96169002       6.32790995       1.25359194      -3.60804419       1.65852586 
O       9.37479999       3.97086998       3.65606000      -2.52828283      -1.56296429       0.01447904 
O       9.03941004       6.44602997       3.40734999       0.30105934      -0.07744241       0.09557171 
O       4.11605998       4.45370997       6.90397996       0.79738612      -3.97333227       1.62030737 
O       1.14113998       3.67935000       8.83676002       0.57104208      -1.10372675      -0.87336826 
O       1.34211998       0.83967204       3.79242000       0.49737423       0.68499996       1.25869651 
O       9.35316995       5.53903002       8.47631996       0.34941966       0.65927585       1.81736428 
O       1.25456004       6.02036001       9.53935999       0.18513861       1.33465800      -0.42910340 
O       3.98248002       1.23289003       9.42589001       0.10721876       1.60247418      -1.14144404 
O       5.71256005       1.47984996       0.68149005       0.21263390      -2.01803688       1.14419838 
O       6.29061005       6.03442003       7.39468005       1.28444346      -2.61475721      -3.30114824 
O       6.25238996       9.03673004       0.94051596       0.59118625       0.34543061      -0.48909784 
O       1.20865001       6.27995996       4.05600004      -1.80328930      -0.83714795       0.99849093 
O       3.70600002       4.03591004       9.55322003      -1.32089005      -3.25448012      -0.38442787 
O       4.20574999       0.69142998       4.25303000      -1.79368009       5.05263571      -2.71124786 
O       3.73729004       9.62649997       1.19421000      -0.80196745      -0.08291648      -0.83318932 
O       8.60323001       0.70973997       0.48740099       0.87608944      -2.16906083       1.27161218 
O       1.35290998       3.82161000       5.81279005      -1.17048897       0.02144973       2.83487070 
O       3.38716999       8.76142997       6.36002001       3.28706581       3.66667370       4.45836781 
O       8.71191002       8.67189004       1.58536001       1.66222246      -1.02587813      -0.11619716 
O       6.57735000       0.43614302       6.14461999      -0.00494601       1.56611463      -2.32201798 
O       8.75311998       8.79388005       6.64574998       1.99198258      -0.09554645       3.57296339 
O       6.23310996       9.02493999       8.74056002       1.06131211       1.28918248       2.46906241 
O       9.38623003       0.23391899       8.27599004       0.65309722       1.81231013       1.55061255 
O       1.61352003       0.73322996       9.40477005      -2.14057578      -1.71564711      -0.76900792 
O       9.47279004       2.83465005       9.17191001      -2.90360613       1.31460494       2.65441002 
O       7.01857001       2.97742995       6.68822004      -2.09831801      -0.66560504      -0.73235445 
O       3.36785002       4.00784002       4.25939004       3.17330449      -1.21931080       1.34332289 
O       1.28618002       1.48340997       6.94123004       3.76778809      -3.22860136      -2.36355664 
O       6.19882002       9.03105002       3.57327998       0.39081105       0.99654488      -0.25004391 
O       6.88557997       1.09908004       3.45732005      -3.11926515       0.61092557      -1.99629015 
96
Lattice="10.58076126 0.0 0.0 0.0 10.58076126 0.0 0.0 0.0 10.58076126" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.029119380344412027 0.014782267068766857 -0.020672556133956042 0.014782267068766857 0.031014755748456867 -0.000735746149766811 -0.020672556133956042 -0.000735746149766811 0.028742975987881798" pbc="T T T" energy=-932.8356841 free_energy=-932.8356841 config_type=crystal 
Hf      10.48969995      10.00199997      10.33539997       0.65328894       4.24344498       1.82358051 
Hf       5.07351999      10.19500004       0.14319505       0.08675834      -1.06710462      -1.90202247 
Hf      10.38379997       7.49435003       7.77164004       0.52389319       3.46418876      -4.27350280 
Hf       7.52538001       2.11263997       5.35032995       0.36452732      -0.04415888      -1.04829826 
Hf      10.46449996       4.99910000      10.36939997       0.04244422      -3.48021781      -0.07257571 
Hf      10.28419998       7.53334997       2.11294004      -0.98395672       0.93281344       4.26749385 
Hf       2.16289001       5.20406997       2.23651000       3.18809283      -2.70160607       4.92616583 
Hf       7.94873997       4.95995002       2.38581999      -2.10736219       0.63138083       1.37683430 
Hf       7.58910995       7.55580002      10.33600000      -1.20611234       0.07975096       1.74983920 
Hf       4.91687997       7.52195005       7.83020995       2.41632439      -1.11275573      -4.63515596 
Hf       5.17920000       7.46708996       2.40371999       0.56409282      -3.07267127       3.07790668 
Hf       5.08641995       4.54835999      10.22509997      -1.56867857       2.17824778       2.25025611 
Hf       2.54792995       7.48206999       5.13706995       1.10886443      -0.77094536       0.12049874 
Hf      10.04350004       4.86724996       5.31692998      -0.31691510       2.52244507      -1.77270823 
Hf       5.18755002       4.74800996       4.92010996       1.17323545       3.13248560       0.51486055 
Hf       2.45546002       5.08277996       7.86958995      -0.01008055      -1.76182453      -1.41752417 
Hf       2.42052996       7.91952998      10.51359998       4.29192053      -0.95957516      -2.27537497 
Hf       2.54561996      10.35409998       7.58820000       1.03170402      -2.62391853      -0.53228066 
Hf       5.12461999       2.29165005       2.41616995      -1.63230270       2.27220274       3.60377850 
Hf      10.30890003       2.06996998       7.55875004      -1.29389505       0.48112534       2.38173942 
Hf      10.44050004      10.03670000       5.08836004       1.21122415       1.27302394       3.04965585 
Hf       7.86561000       5.07745000       7.99963005      -2.94170822       2.54395237      -3.57296846 
Hf       7.65739003      10.38440000       8.00822004      -2.78603750      -1.32006925      -1.81456249 
Hf       7.56848000       2.21800001      10.38340001      -0.41276304       0.79464614      -1.94313861 
Hf       7.50208996       7.71145000       5.31551999      -1.05550014       0.11813571       2.09205618 
Hf       2.23979998       2.73799999       5.18806001       0.40338855      -1.52533109      -2.18325143 
Hf       4.92497997       2.27098995       7.67817001       0.01827141      -1.17678669      -1.19346351 
Hf       4.76310003      10.26880000       4.75933000       0.62810574      -2.53371175      -0.57075662 
Hf       2.45339000       2.02704002      10.28820004      -1.03473991       1.14225942      -0.16880615 
Hf       1.75793000       0.01784445       2.38546003       4.22002796      -0.58400436       5.28857432 
Hf      10.26469995       2.60488005       2.88210996       0.15420320      -1.17095653      -0.98602518 
Hf       7.48684001      10.44019997       2.60389995       2.74682594      -0.60293782       0.68527915 
O       6.47488998       6.15678002       1.25436004       1.00205410       0.88426130      -0.36357655 
O       3.22015999       0.24881104       0.97023295       0.78821067       0.37413978      -0.71323491 
O       6.23754001       8.92944999       6.68174005      -0.14277105      -1.65595902       0.49649475 
O       9.40421002       6.32528002       6.53093997      -1.20900392       0.20303414      -0.21951533 
O       5.99194002       3.69564999       8.79371999       2.44095551      -1.01378363      -2.43993665 
O       9.37467002       9.70848997       3.55788996      -2.26204501      -2.44552254      -2.13262024 
O       9.07813995       3.44177002       1.48811001      -1.05558254       1.72896153      -1.73882767 
O       6.34369996       3.56731001       0.82529102       0.15263624       0.22916727       0.52388392 
O       3.58253001       6.31847003       8.85483002      -0.20475132      -0.43058762       3.27984278 
O       1.27314004       8.98665996       1.18908002      -1.10483186      -2.01078119      -0.57885884 
O       0.74872197       1.14279004       1.33150998      -1.98852893       0.78331597      -0.40111578 
O       3.80271004       6.02901003       6.47249005       2.01996966       0.68185607      -0.31099562 
O       3.93903003       8.77335001       8.79184995      -1.05840110       2.11066104       3.30785310 
O       0.99734499       6.14103998       1.04993000      -0.66839818       4.13324921      -1.43011700 
O       9.40701996       1.16298998       5.95821003      -2.75021188       0.61036249       0.28057977 
O       3.56287000       5.81090002       1.10347997       1.08541688       0.82548435      -1.88027798 
O       1.49153003       6.13223996       6.53664998      -2.42795732       0.73668143      -1.28416308 
O       6.42709001       6.17343001       9.31633003      -2.13402339      -0.12214265      -1.39605904 
O       6.66122004       9.23379998       4.19633997       0.38132678      -1.47746242      -1.58794827 
O       1.26804001       9.33327004       3.94420995       1.63782779       1.41031071      -1.24143774 
O       5.99992997       0.61177401       9.25412002       1.77374499       3.54577442      -0.11110392 
O       3.92538995       8.57429997       3.53366996       0.73284870       2.14687087       1.64372066 
O       9.22976004       6.24343000       1.00616998      -1.29163743      -1.26655585      -0.24448556 
O       3.67493000       6.03768996       3.76365000       0.19903030       2.31229649      -1.10251871 
O       8.68727996       1.38495996       3.31124998      -0.75865581       0.80941702       0.22804585 
O       8.49109001       4.38439004       9.58809995       3.21722102      -1.97704745       2.40865156 
O       1.52919002       9.09857003       8.90877000      -1.34278280      -2.03571414       3.75838764 
O       4.08241003       0.86925302       6.04662996      -3.74077937       1.85847010       4.20318004 
O       9.45398996       9.94060997       8.88572003      -1.54107273      -1.14751594      -2.40010077 
O       6.39808000       6.05626999       3.81488998       0.00723755       0.66616011      -0.78044658 
O       1.14048999       8.75717997       6.45035996      -1.53401314      -0.17212817      -0.06181482 
O       0.92074303       3.84276002       3.94858996       1.01101771       1.14672644       0.58730291 
O       3.71063002       3.07564996       1.32172997      -0.55003024       0.24814653      -1.72735598 
O       0.26276696       3.66016000       6.48263001       3.49575402      -2.58887900       1.50515675 
O       9.03935003       3.93768003       3.90159995      -0.94736745      -0.08903804      -0.58017475 
O       8.95531996       6.59387000       3.76020998       0.55291121       0.39245739      -1.84549881 
O       5.99198996       3.11770997       6.04028997      -1.97373103       2.36849743       0.72962241 
O       1.16864995       3.60859000       1.35781999      -0.83055324       1.54431611      -1.11175154 
O       0.83015902       1.22920005       4.38672997       0.30988000       0.81207481      -2.31901299 
O       8.70331003       6.88137002       8.75846997       0.56037803       0.33192583       1.29532351 
O       0.74549801       6.26234005       8.90131004       0.80667175      -1.82105943       3.61842571 
O       3.69003996       0.76597495       9.07596000      -2.14421173       0.88166352      -1.19205877 
O       5.99255000       1.16226001       1.19642995       2.00087376      -3.19400077      -1.79235207 
O       6.42321999       6.24656995       6.24722998       0.97038365      -0.05301124       1.66737584 
O       6.45610997       8.97632002       1.22292999       0.56412796       0.88815036       2.22554339 
O       1.16461000       7.13213004       3.79011005      -2.07760746      -3.27001742      -3.61002579 
O       3.61604997       3.32370004       9.09194002       1.10355683       0.85591799       2.13696777 
O       3.57263996       1.25196995       3.70208997      -0.05893856      -0.70067286      -1.61916708 
O       4.23534002       8.35561997       1.05945004      -4.66963671       1.00630247      -5.23324795 
O       8.76185000       0.99761395       0.47828903       0.55665783      -2.28803037       0.60141003 
O       3.28620002       3.42003999       6.68716004      -0.08861292      -0.44517245       2.23140716 
O       3.70750996       8.84569999       6.18186002      -0.39382358       0.91842857       0.44994692 
O       9.02353000       8.78520004       0.82846504       2.34150006      -0.74412780       0.38500766 
O       6.30112002       0.92658001       6.71350000       3.43400281      -0.12067746      -0.67584583 
O       8.70855005       9.00457996       6.79122003       1.40711133      -1.28729798      -2.57420745 
O       6.80775998       9.11651002       9.39486002       0.34580514      -2.42774779      -0.10542465 
O       8.31950995       1.82941997       8.31764001       0.66382008       0.06344820       1.50831127 
O       0.85962802       0.99873202       9.32316002       0.43555609       0.43022268       1.19779729 
O       1.21639003       3.48348996       9.03235001      -1.86093878       1.68040585       0.87970558 
O       8.45333002       3.96493999       6.33694002      -0.91935536      -0.89081172       0.75746340 
O       3.52924001       3.97714998       4.37856999      -1.13260202      -3.57788108      -1.71405705 
O       0.97322805       0.80054696       6.93454999       3.14367493      -0.97997415      -1.59286887 
O       6.25575998       0.93910901       3.69435003      -1.42620538      -0.15311180       1.54386384 
O       6.43740996       3.39419997       3.54954999      -0.33024253       1.46602586      -0.18517030 
96
Lattice="10.59010235 0.0 0.0 0.0 10.59010235 0.0 0.0 0.0 10.59010235" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.012729603269217796 0.004703135292435794 0.0019117973762908626 0.004703135292435794 0.031259303612227576 -0.0008536672438255068 0.0019117973762908626 -0.0008536672438255068 0.018230336131990075" pbc="T T T" energy=-932.85938416 free_energy=-932.85938416 config_type=crystal 
Hf      10.45349998      10.36160003      10.30812234       2.14347619      -0.98783019       2.09650505 
Hf       5.22999003      10.00510001      10.26450002      -0.40254931       0.83492419      -2.34402459 
Hf      10.08159995       7.83405998       7.67571995       1.72603877      -0.00719774      -1.63646780 
Hf       7.54043002       2.18677999       4.94020999       1.92049089       1.46192062      -0.72742364 
Hf      10.46753431       5.21952998      10.24089997       2.05824144      -5.83901736      -1.63246176 
Hf      10.24379997       8.11830998       2.57383997      -0.40659721      -3.36994485       0.64457810 
Hf       2.00949998       5.28039998       2.96208001       1.81362235      -1.62322821       1.42769424 
Hf       7.86996001       4.77996999       2.09217998      -4.77386398       1.46455423       0.03093257 
Hf       7.96201002       7.70072996      10.32680000      -0.81894732      -0.01483192       1.28037583 
Hf       4.85014001       7.27820997       7.57524996      -2.63844092       3.22131573      -0.71258747 
Hf       5.27791004       7.70972000       2.51420001      -2.66274376      -1.79912613       1.03621223 
Hf       5.33991000       5.19610001      10.25629999      -5.93508279      -1.81443571      -0.28833166 
Hf       1.94930997       7.63529001       5.46789997       2.30010473      -1.17174734       0.39139142 
Hf       9.90765000       5.16746003       5.46134999       4.28710001      -2.14056220       0.02983157 
Hf       5.05133998       4.77566003       4.82291995       0.03349437       1.39489148      -0.45506755 
Hf       2.81855002       4.62720999       8.17345995      -3.88471900       1.49858549      -4.75625097 
Hf       1.93647996       7.48830003       0.08780572       3.16041042       0.51874565      -1.74489048 
Hf       2.59375000      10.15529996       7.91692002       1.79357842       1.06490685      -1.81833222 
Hf       4.80516003       1.96096999       2.52752998       1.11178855       3.09331476       1.17426882 
Hf      10.39409999       2.07237999       7.83627999       0.76883896       1.96993708       0.25495101 
Hf      10.39089998       0.03035166       5.06765997      -1.89510362      -0.70737880       0.02171635 
Hf       7.52371004       4.90257002       7.51369001      -2.35916851      -4.47992154       0.97967686 
Hf       7.57058999      10.04489995       7.62171000      -1.80769835       2.95098403      -2.87846394 
Hf       7.58529996       2.12623002      10.04280004      -1.58801599       0.56267185       1.27891061 
Hf       7.60960001       7.63746003       5.24145996       1.33216287      -1.12861635      -3.76257548 
Hf       1.92980004       2.58718996       4.98929999       0.17332125       1.23240018       0.65883993 
Hf       5.00972004       2.28121003       7.48798995       0.53962412      -0.75602221       0.48755445 
Hf       4.95126998      10.27920003       5.30127000      -1.95626964      -1.90815183      -2.31683971 
Hf       2.64866995       2.66979996       0.13117399      -2.03820189      -1.13258357      -1.59338101 
Hf       2.54391001      10.22590005       2.28397998      -2.16127982       0.49954941       2.51539207 
Hf      10.38839998       2.67864005       2.20075003      -0.52307584      -1.30686928       1.62591229 
Hf       7.49566004      10.10500005       2.24306999       0.48403565       0.54713593       0.18748727 
O       6.47429995       3.17786002       0.80776302       0.87230002       0.83843140       1.02580377 
O       3.84456997       0.78573402       1.23915995       0.39041510       0.21049100      -0.91821357 
O       6.59705999       8.83056002       6.29791004      -3.33877576       3.90287762       3.55496285 
O       8.59615001       6.37798996       6.70641000      -0.77137317       0.26456543       1.71985822 
O       6.54677003       3.42480998       8.80022001       1.15225488      -0.43904901      -0.06104714 
O       8.83680003       9.09176002       3.33859998       0.29041365       2.18603127       0.84147793 
O       8.35734003       6.68170001       1.50883998       1.53724808       1.07042336       1.92818069 
O       6.76968004       0.56538502       0.47630997      -0.24076354      -0.45399646       0.75747993 
O       4.16205997       6.83093997       9.44992999      -1.06700224      -0.88950956       0.12147058 
O       0.86983902       8.84858999       1.18099995       1.08459448       2.57180816       0.04614546 
O       1.11757001       1.02479001       0.82010102       1.57563604       0.25402976       0.01072927 
O       3.95393999       3.75835002       6.59504004       0.16731549      -1.07440330       0.33442261 
O       4.29805001       9.21752999       8.64514999      -2.74556027       0.77972525       0.27266421 
O       1.02252998       6.44244005       1.45680996      -0.65175033      -0.19160280      -0.45715799 
O       8.91675996       0.81707797       6.59446997      -1.06514102       0.04794472       1.65136401 
O       4.84144003       6.27978000       1.19169003      -1.41133164       0.25470840       1.35466226 
O       1.74058001       5.60555997       9.58071003       0.34502106       2.67224458       0.88347851 
O       5.45173004       5.51819999       7.81785999       3.18527066      -2.60262654       2.98555789 
O       6.62814004       8.83718000       3.77200002      -1.92005223      -0.47813191      -1.55558858 
O       0.80557405       9.08049004       4.01551996       0.77848019      -0.19732098      -0.74490770 
O       6.16040000       0.84602803       8.61064003       1.67163776      -0.64786765       0.86411274 
O       3.85615004       9.38534996       3.69809000       0.45139317       1.20367300      -0.94823776 
O       9.03879998       9.03412000       0.85468999      -0.55540606       1.20309727      -0.33466868 
O       3.47366000       6.46210005       4.01892001       0.56160170       0.39138905      -0.91913296 
O       9.29571999       1.37522000       4.07951997      -1.02824224      -0.58415457      -0.59600080 
O       9.44004000       4.14543997       8.50195995      -2.02897989      -0.21335852      -0.23536373 
O       0.90616000       0.51483295       8.72097004       0.48987229      -1.10973455      -0.43943555 
O       3.56312995       8.98157996       6.15156001       0.14985856      -1.80427231       0.55213665 
O       8.80281004       9.16705999       8.63970001       3.04020859      -2.91238600       3.19815640 
O       6.12374998       6.02171996       3.33160003       0.83773332       0.33143571       0.52452594 
O       0.56615301       6.20787998       6.97404995      -1.03997266       2.06570257      -1.96917828 
O       1.34861999       3.74956997       6.53114995      -0.15250040      -0.38254154       1.64272918 
O       3.78222000       3.49783000       1.52201004      -0.13023912      -0.84400615       0.23445085 
O       0.70840499       1.27482996       6.25312005       2.29471148       0.00453258      -0.80215621 
O       9.03678003       3.89989002       3.26655996       0.11179303      -0.58562298      -0.45902195 
O       9.25759997       6.64007995       4.40744005      -1.46637766       0.46951328      -1.65171073 
O       6.41173002       3.55575998       6.25132005       0.56107440       0.97433572      -0.12026006 
O       0.54165302       3.94825004       4.17165005       2.29349767      -0.79476626      -2.26481236 
O       1.30537996       1.19924998       3.53626996      -1.33352718      -0.02453245      -0.27041880 
O       9.57676003       6.69727996       9.57181000      -2.02793230       3.12457535      -2.20401040 
O       0.76449102       8.39177999       9.18957995       2.11490057       0.95758267       1.49892678 
O       3.40598003       1.28010001       8.79676997       0.19618344       1.02059207       2.47084213 
O       6.11332996       8.71211004       0.81365504       1.28457883      -0.65945046       5.94148748 
O       5.96797000       6.58726002       5.86434002       0.18806352      -1.44350391      -1.16501869 
O       6.91966003       5.90537995      10.45660003       6.88323027       2.81646937      -1.85758170 
O       0.99777096       6.44934003       4.04363001      -0.96883058       1.37797218       1.24270551 
O       3.98848999       3.85085001       9.48447004      -1.00320429      -2.65815447       0.18207160 
O       3.68808003       1.66900002       4.13909999       2.04836404      -1.68017756      -0.85345186 
O       3.39659996       8.79148996       1.39508004       0.69047059      -2.74360733      -3.30662652 
O       9.11813001       4.35553002       0.69615298      -0.00374894      -3.15425442       0.27034480 
O       3.89278003       0.67979604       6.67705996      -0.17305532       0.94355943      -1.01834565 
O       3.14284003       6.33552005       6.85166003       0.21708339       1.11908385       0.15480279 
O       9.21374000       1.33919003       1.36404998      -1.02763977       0.07053873       0.04029539 
O       6.29778995       1.01324002       5.91554995      -0.15404738       0.23816331       1.93682081 
O       9.06909000       8.98479004       6.14013997       0.33491713      -1.17464556      -0.07243724 
O       6.49764001       8.74501995       9.30191997       1.32344755      -0.21285224      -3.03903293 
O       9.28438996       0.91658098       9.44946996      -3.94900285       4.31671969      -2.34627552 
O       1.08058005       3.19913998       9.15364996       1.71293986      -0.19633855       0.72653006 
O       1.13947002       3.97895000       1.06373003       0.31900704      -1.89858053       2.07311591 
O       9.00057003       3.32494997       5.85551000      -0.54301023       2.64896123       1.41980755 
O       3.14600001       3.96892001       4.13769002       1.21348644       1.62643321      -0.78092334 
O       1.11313995       9.10062002       6.61379002      -1.05600560      -0.60311646       0.88618237 
O       6.23823005       0.80188096       3.42377003       1.26604161      -0.48062722      -1.31328521 
O       6.44714004       3.57017004       3.73423000      -1.57614427      -0.95079119      -0.09913357 
96
Lattice="10.59591968 0.0 0.0 0.0 10.59591968 0.0 0.0 0.0 10.59591968" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.04471443765308999 -0.0023637738004871033 0.0005109862479401372 -0.0023637738004871033 0.0433970841712085 0.0028329896785871263 0.0005109862479401372 0.0028329896785871263 0.04042047865962719" pbc="T T T" energy=-931.30912031 free_energy=-931.30912031 config_type=crystal 
Hf      10.59196730      10.40749996      10.54119907      -1.31767875       1.36518325      -2.84007273 
Hf       4.87254998      10.19660005      10.29060006      -0.77189649       1.85147254       3.20355722 
Hf      10.42419998       7.62143999       8.00114997      -0.47042874       0.86003521      -0.18711198 
Hf       7.79252002       2.35854004       4.90896000       0.80141110      -1.84175300      -3.37991632 
Hf      10.29489999       4.93135003      10.16339996       0.58570838       0.53237073       0.60565716 
Hf      10.41509999       7.34339999       2.73473005      -0.91305019       1.78742780      -0.27411996 
Hf       2.29532997       4.79093004       2.57849999      -0.30208599       0.50490682      -1.08030818 
Hf       7.60963995       5.20650995       2.48063004      -0.85487660      -2.03191506      -0.36129454 
Hf       7.42479000       7.41058003      10.33870002       3.46320505       0.46810461       2.47961685 
Hf       5.05536997       7.71073997       7.50998003      -0.63561286      -0.71542883      -0.20517477 
Hf       4.57199005       7.50115999       2.30335003       1.52910096       3.36997603       0.45630545 
Hf       5.07190003       4.95478004      10.09809996       0.24861854      -1.17971132       0.02116735 
Hf       2.21973000       7.58451004       5.32100999      -0.05209772      -0.80159103      -1.03217538 
Hf      10.40589998       4.76088001       5.26432002       2.53421858       1.09112402      -0.08825923 
Hf       4.90779996       5.20844996       4.82847996       1.11124253      -0.64999960       1.68125225 
Hf       2.49641997       4.73548000       7.82529998      -2.07355452       0.14648851      -0.38684825 
Hf       2.35551999       7.67069004      10.22600002       0.51895435       3.25138988      -0.67816574 
Hf       2.53867004      10.43709998       7.36513000      -3.19809937      -0.45889735       3.04668505 
Hf       4.89092998       2.55937002       2.59746998       3.24552603      -1.59693485      -1.61786665 
Hf       9.83593995       2.33775000       7.78999003       2.96117865      -1.50440183       1.15866977 
Hf      10.24520004      10.26949998       5.50967002      -2.28806532       1.09415639      -2.33788699 
Hf       7.73938000       5.23719002       7.38199001       4.24128210       0.33874382       2.88916577 
Hf       7.65933005      10.07210001       8.06878002       0.92592874       0.81225959       1.34558268 
Hf       7.60343000       2.36732003      10.55631552      -0.05731586      -2.42923053       3.26999047 
Hf       7.72956998       7.52549002       5.03189005       2.50287531       2.58741194      -2.60327016 
Hf       2.47457998       2.31788996       4.90457996      -0.10133505      -0.79627118       0.22185338 
Hf       5.31805002       2.58740004       7.31376002      -1.59381125       1.20727276       3.47282714 
Hf       5.34044005      10.43980004       5.14685005       0.54679158      -2.61617666      -2.51693185 
Hf       2.42707000       2.34065996       0.00303499      -1.89529699       1.52523657      -1.73481771 
Hf       2.26064995      10.17410004       2.86247997      -0.02524175      -0.74893356      -3.57517262 
Hf      10.39209996       2.50236005       2.15722000      -1.71844239      -1.51102554      -0.38072237 
Hf       7.59037000      10.25940005       2.06066998      -1.66898138      -0.51007426       2.12450410 
O       6.66846004       3.36375004       1.65157996       0.27310292       1.22934921      -2.32309921 
O       3.90460000       1.27646003       0.55239496       1.88804428       0.21422988       1.54791434 
O       6.06163998       9.19996999       6.70709001       0.21604780       2.04148093      -1.83109482 
O       9.21201999       5.98495000       6.26224999      -1.16560832       2.82207793       0.60650065 
O       6.53839004       3.33780000       9.34998003      -3.10477042       1.75421506      -2.74996492 
O       9.44375996       8.70376000       4.33088996      -0.16892245      -1.98497852       0.51388936 
O       9.30761998       6.18620996       1.32551999      -3.79362443      -1.65685988      -2.16626912 
O       6.14680003       0.83203400       0.83282795       3.84514326       0.11472500      -0.69337532 
O       3.68345002       6.07844999       8.98849006       1.23970589       0.17346558       0.71311098 
O       0.48996899       8.96342996       1.04314996       0.28915995      -3.66461322       2.44358667 
O       0.90985202       0.85204397       1.28357000       2.70125042      -0.86139605       2.49954894 
O       3.62595995       4.06515002       6.31709998       0.96338284      -1.79695311      -0.15183630 
O       4.02669001       8.74140995       8.88327999      -2.22037334       0.71218574       0.34199769 
O       0.74250695       5.67267002       1.74504996       2.71229989      -1.43455090       0.32251118 
O       8.55717001       1.16251999       6.61683004       1.81573595      -1.06566478       1.61101357 
O       3.16835005       6.72954001       1.11376000       0.57546915      -1.76888783       0.99592387 
O       1.02250000       6.51534995       9.46612996      -2.34803297       0.54886079      -0.42134390 
O       6.52871003       5.84081000       8.98310002      -2.07999527       0.56516083       1.61482171 
O       7.06674000       9.31676998       3.96708997      -2.38553571      -0.37873859       1.79601552 
O       1.19230999       8.71740998       3.59570002       1.40375587      -0.52593357       0.24945875 
O       5.85174997       0.61749195       8.41414003      -1.44088057       0.53399072       1.20957626 
O       4.08656002       8.98911002       3.59461998       0.40493308      -0.19399898      -2.21237023 
O       8.19787000       8.36390001       1.57962000       0.77669132       1.15414808      -0.37447741 
O       3.51708995       6.12063001       3.67858999      -0.12979696      -0.01450595      -1.28945023 
O       8.79031001       0.80324997       4.18726004       1.42706398      -0.26644908       0.19797975 
O       9.35195998       4.00193995       8.68843999      -1.90621814       1.45037332      -2.13976462 
O       0.23571196       2.05970999       9.86577001       1.10605317      -1.91366933      -2.53594652 
O       3.58238995       9.08982000       5.64669995       0.48825696       2.50810563       4.58047115 
O       8.95057001       9.12096999       9.38440002       0.30399499       0.22018154       1.89413782 
O       6.06503004       6.48230997       3.55921000       1.34585917       0.27190126       1.31350470 
O       1.08492999       6.22070996       6.73929005       1.15947828       0.83399685       0.83754603 
O       0.90904800       3.57798004       6.85495999      -0.07628819      -0.11454767      -0.59888130 
O       3.81632995       3.89909002       1.25611004       0.84244572       1.71215802      -0.48582509 
O       0.69572395       0.80268203       6.98377003       0.75185675      -0.76707170       0.42893138 
O       9.09173002       3.44374001       3.40573997      -0.33170978       0.85230784      -0.73915447 
O       8.76890000       5.92991999       3.91274000       0.09052620       2.13125263       0.11050891 
O       6.28355997       4.50752998       6.49206998      -3.57431489      -4.61288596      -0.98417495 
O       1.02308998       3.31931997       4.16506996      -0.41906161       3.06800643      -1.24788104 
O       1.15206998       0.77869000       4.29345998       0.06888386      -0.91140236       0.62348972 
O       8.77833005       6.57481002       8.65741006       1.55448328       0.54262791       2.71774848 
O       1.08027997       9.01924005       9.22853998       0.18344534       0.38410017      -2.49130673 
O       2.45728002       0.87832503       9.40714999       0.35970391      -4.53574709      -5.82846784 
O       5.89355998       9.04500996       1.24207998      -1.15780592      -0.98225180      -1.11344703 
O       6.63707005       6.81370996       6.54911004       0.65704174       0.17253647      -0.57795375 
O       6.11602004       6.25738000       1.10146005      -0.20156583      -1.06069165      -2.10829060 
O       1.04160995       6.41905996       4.22336998      -2.05637240      -2.78674656      -1.53390324 
O       3.77389001       3.29239998       8.68074005       1.59439705       0.32101357       1.25084142 
O       3.51428998       1.06083996       3.27730005       1.38891563       2.48249675       2.36848296 
O       3.25536999       9.40584002       1.11304001      -0.00021336      -1.34164952      -1.42829734 
O       9.32839995       3.30287002       0.29152003      -0.13244364       2.49004155       4.16837669 
O       3.49484996       1.08918997       6.22439002       2.12236256       0.85038172       0.58974715 
O       3.85836005       6.60684996       6.11026000       1.43703102       0.12952555       1.76578452 
O       9.16070003       1.09384995       1.48386997      -2.82241309      -2.61794853      -0.67877575 
O       6.34222004       1.43593996       6.14976996      -2.07748176      -0.09653438      -2.07456904 
O       8.95400998       8.79203005       7.07520995       0.07696358       0.70682782      -2.97606084 
O       6.50685001       8.53213005       9.17805000      -1.84561573       1.78168574      -2.07777620 
O       8.48018005       1.08742003       9.29803999       0.24715470      -0.43922122      -1.71930990 
O       1.51267000       4.26212996       9.50965005       0.10957403      -1.23916138       1.47499735 
O       1.72865002       2.84467003       1.84156003       0.10171019       3.37296905       1.29296964 
O       9.04494003       3.61954995       5.91462997      -2.31116456      -2.01591187       2.63890356 
O       3.94577003       3.60126002       4.13473003      -1.72456639      -1.78875280      -2.99637389 
O       1.01542998       8.87795003       6.18507005      -0.04423074       0.78007759       2.70346690 
O       6.41115996       1.33863996       3.45943999      -1.88051765      -1.31336169       0.86037030 
O       6.37526999       3.81243002       3.88183997      -0.40057127       1.82341295       1.56859442 
96
Lattice="10.60261716 0.0 0.0 0.0 10.60261716 0.0 0.0 0.0 10.60261716" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.024924595161088 0.000617667320289486 -0.01750430504721543 0.000617667320289486 0.042307311753278586 0.020566610604732652 -0.01750430504721543 0.020566610604732652 0.031067054863867856" pbc="T T T" energy=-934.8794411 free_energy=-934.8794411 config_type=crystal 
Hf      10.24060002       0.01096364      10.55218666       0.80854626       1.05346707      -0.88723387 
Hf       5.22049002      10.37299999      10.19940005       0.65614106      -2.19692529       1.28839438 
Hf      10.43900001       7.68797000       8.06224005       0.52070064      -1.12172943       0.54305356 
Hf       7.88124002       2.34365000       4.72254002      -2.96227900       0.13495278      -1.27196071 
Hf      10.46770002       4.84029003      10.51269997       1.88150244       0.01573233      -2.47358452 
Hf      10.15339996       7.92957004       2.73892002       3.60804469      -0.07171221       1.71437648 
Hf       2.31560003       5.25242002       2.30533002      -0.37278165      -0.35117643       0.45766560 
Hf       7.65973004       5.43526003       2.37899997       0.96044808      -2.79181700      -0.81510400 
Hf       7.73191000       7.59401003      10.30589995       1.00113638       1.23860133      -0.90330598 
Hf       4.79968000       7.58087996       7.58740004       0.54973870       0.97061867      -1.60909866 
Hf       5.21148999       7.48138002       2.64695005      -4.18936749      -0.00529136      -0.62704498 
Hf       5.12803997       5.09294001      10.39259999       1.97247088      -0.49565489       1.12361494 
Hf       2.46338005       7.52285004       5.11621000      -0.02429493       0.30530125       0.42557893 
Hf      10.41969996       5.01118005       4.96842998      -0.62051775      -1.43954351       0.92510673 
Hf       5.03906005       4.68684005       4.99147000      -1.38943222      -1.18690867      -1.94407174 
Hf       2.44095997       4.94044002       7.38070997      -2.01092732      -1.31908052       1.67634626 
Hf       2.73620002       7.93170000       0.07454785      -2.54784854      -0.01753144      -0.81023756 
Hf       2.00678004      10.01460004       8.02388000       1.16203491       0.35592155      -0.66506258 
Hf       4.75381997       2.27954000       2.04261996       0.53712665       3.42450058       3.48795526 
Hf      10.04319996       2.39475005       7.51657000      -0.73183376       1.85636353       2.59299755 
Hf      10.22150004      10.51449998       5.01214998       3.17004773       0.74940318       0.52530205 
Hf       7.18637004       4.84693003       7.52160996       2.17229349      -3.44550849       2.13213340 
Hf       7.46046996      10.10600001       7.55264997       0.91998980      -0.10084182      -1.36691190 
Hf       7.47478000       2.65464003      10.31710002       0.14190991      -0.94389993      -1.76626891 
Hf       8.03396001       7.63183996       5.58849001      -1.64028248       1.22367331      -2.69904487 
Hf       2.37588004       2.04179995       5.58444999      -2.86351984       2.87015742      -3.23956313 
Hf       5.00464004       1.89789996       7.76079005      -0.26117094       2.57782016      -1.18769547 
Hf       5.28056000      10.24070000       4.81150001       0.61354069      -0.23896022      -2.32150997 
Hf       2.57545003       2.20670999      10.42769995      -2.26549236       2.44064672      -2.98247748 
Hf       2.48783000      10.11770000       2.63154000      -0.74274585       4.25517631       0.62296407 
Hf      10.11500004       2.68739003       2.25541003       5.70766965       0.27001551       1.04629626 
Hf       7.93324003       9.97885003       2.24757003      -4.65651013       1.82766233       1.90473016 
O       6.39925995       3.88747004       1.26583003       2.14677797       1.52678517      -2.18570654 
O       3.18228998       1.05761997       1.18055000       1.01586745      -1.27210922       1.15082406 
O       6.46843005       6.42595999       6.69516002      -1.15381164       2.03343250      -1.64314637 
O       9.19210000       6.52980001       6.58727998       0.39548769      -0.77182569       1.05103241 
O       5.85886003       3.58157001       8.85894001       1.00814522       0.10469476       1.53418058 
O       8.92336002       9.60621999       3.95074000       0.10263993      -3.52569285      -1.33741255 
O       6.22777004       6.63408003       1.05834996       2.72144621      -0.26565119       0.15258950 
O       5.81189998       1.54423005       0.62053100       1.90251166      -2.79269622      -2.53084329 
O       4.60513003       5.98933001       8.80412999      -1.38028733       1.27909000      -1.25708165 
O       1.48627996       9.08154004       1.34657002       0.47204766      -2.71322958      -2.54513904 
O       0.48657499       0.72361802       1.85609003      -1.35861269       0.32874980      -3.99517944 
O       3.22378003       3.29302997       8.16264005       0.04257702      -0.25756974       0.68701133 
O       3.61994004       9.03017005       9.07896000      -0.87144228      -1.57159216       0.76183932 
O       9.50088999       5.80889000       1.47855999      -1.46968373       1.14176020      -0.06866463 
O       8.52441005       1.09456002       6.43439002       1.25176757       1.14628380      -2.19369315 
O       1.39804997       6.04399000       0.39961805       1.13848264      -0.73327022       4.24710787 
O       1.59198000       6.47473998       8.86684998       1.89669181       0.47602507      -4.02755012 
O       7.46201996       5.91959999       9.28623004      -2.48062603       1.08568359       1.02111537 
O       6.40101998       8.82823005       6.03545998       1.55776275       1.12798653       1.67569300 
O       0.97188000       9.25089003       3.72394005      -1.79575032       0.00317045       2.69918023 
O       6.61634005       0.83684103       8.80179996      -0.63952879       0.48673856       0.85426104 
O       3.86779996       9.08078005       3.63500996      -0.93008491      -1.38049378       0.88198388 
O       9.11560996       8.58303997       1.30205005      -0.23566812       0.09135397      -3.09120135 
O       3.79412004       6.28958001       3.90461999      -0.20214842       1.17221565      -2.08244328 
O       9.50310000       1.38040000       3.47908003      -3.38532037      -0.44571160       5.12801548 
O       8.32124004       3.57119005       8.57393996       0.99877755      -1.62558950       1.39840298 
O       1.61123000       0.90789702       9.32013996      -1.96929566      -0.92574635       1.31929357 
O       3.84822000       8.85249998       6.27923005      -1.08942482      -1.22660991      -0.31963405 
O       8.76940005       9.25373005       8.88458000      -0.72387890      -2.28678810       1.39976117 
O       6.33225003       8.56119996       3.64027999       2.20277366       1.30364271      -0.00576767 
O       1.07234001       6.19364997       5.93417996       1.14821958      -0.82005758      -0.19783994 
O       0.82617501       3.50690999       6.24431998       0.46650919      -0.66081151      -0.27101566 
O       3.66768002       3.88953003       2.83995999      -0.38052837       1.16706710      -0.87757289 
O       0.61017298       0.44587303       7.03125004      -1.17918820       2.43266729      -2.83721794 
O       8.84611996       4.11742003       3.32532999      -0.00935567      -2.31229702       1.49793218 
O       8.86702005       6.79916003       3.68775003      -0.84086635       0.06796578       2.41840225 
O       6.01569999       3.61066996       6.40516995       0.48506104       0.04840591      -1.14205531 
O       0.95457101       4.02303002       3.69914000      -0.40178034       0.88675805      -1.84606186 
O       1.53912001       1.01358995       4.07762003       0.02199080      -0.23060778       2.02622072 
O       9.83221000       6.32315002       9.43085005      -1.59668504       2.29288284      -0.38014197 
O       0.67907897       9.04321996       9.40285002       0.56438855       0.67162253      -0.09608095 
O       4.02363002       0.87823100       9.11531002       0.36919067       0.70112827       0.71035855 
O       6.85046005       9.24698996       0.73204000      -1.44861145      -0.90727133      -1.42978130 
O       6.46827005       5.73628996       3.87774999      -1.15780759       1.53272423       0.07886406 
O       3.79258998       6.58702000       1.04563000      -0.05652282      -2.52892003       0.95455673 
O       1.11375998       6.95662999       3.40426001       2.44367898      -3.64427317      -0.03750512 
O       4.10415997       3.52975004       0.03363680      -2.02534907      -0.90856271       1.89751777 
O       4.18210002       1.26396005       3.56681997      -1.25850563      -2.95687876       2.57094986 
O       4.30307005       9.01503004       1.13653005      -0.69924515       0.57804742      -0.99303353 
O       9.25447997       3.21111998       0.67705397      -2.93641918       0.72201106      -2.22045338 
O       3.31531995       0.93821902       6.67129999       2.45554045      -2.63468095       2.07153366 
O       3.67606001       5.99227997       6.17153005       0.69383443       2.63217515       1.93868784 
O       8.44577001       0.56060405       0.90679403       1.63853585       2.88417008      -1.92427402 
O       6.09387998       0.79053601       6.17957998      -1.15651101       1.12463822       2.04627445 
O       9.23063002       9.18385000       6.35001005      -1.14516132      -1.18501182       0.25973620 
O       6.03062996       8.74453003       8.60281004       1.91332490       0.92153635       1.81062398 
O       9.42710001       1.33370003       9.10438996       0.46645902      -1.41731827       1.94601988 
O       0.45820599       3.64608005       8.78777004      -0.08321504       0.43272204       0.71119903 
O       1.18332004       3.27535996       1.01253001       0.62479125       1.20911571       0.24006720 
O       8.84682005       3.91565997       6.10007996      -0.19787506      -0.98751476      -1.53986548 
O       3.48063999       3.69341999       5.81177996       0.04961122      -0.71086926      -1.90879413 
O       1.20305999       8.49113002       6.80712005       1.32256270       0.57635862      -0.57275954 
O       6.67043005       0.63981705       3.57019998       1.83662981      -1.56863946       0.20778388 
O       6.09843995       3.01129998       3.52325000       1.80076837       1.23524832       3.31255683 
96
Lattice="10.60947571 0.0 0.0 0.0 10.60947571 0.0 0.0 0.0 10.60947571" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.04139476870963464 -0.0025389926036798655 0.014162967381629641 -0.0025389926036798655 0.04640034512105146 0.004935032522227153 0.014162967381629641 0.004935032522227153 0.03330651354989489" pbc="T T T" energy=-931.21729684 free_energy=-931.21729684 config_type=crystal 
Hf      10.42250004      10.40120003      10.54190003      -0.45442933      -3.22244456      -4.14867427 
Hf       5.03081000      10.27489995      10.56552108      -3.32734063       4.48776558       3.70624267 
Hf      10.30550001       7.67607005       8.00599005       1.93466848       0.69694582      -3.06906719 
Hf       7.92682002       2.08748002       5.49117000      -1.76171326       2.39511686      -3.00621077 
Hf      10.05800004       5.03609999      10.35480002       1.45474950      -2.88427596       1.07896429 
Hf      10.45329998       7.52281999       1.91346998      -1.15829506      -0.40231141       2.44881804 
Hf       2.21437996       5.00849000       2.14394004      -2.22019047      -0.55204435      -3.60364645 
Hf       7.54258003       5.06841995       2.52931004       0.54291925      -1.01365594      -1.25172844 
Hf       7.54963003       7.92033996      10.60248958       1.47101812       0.54439083      -0.54321555 
Hf       5.31628998       7.64612003       7.56750997      -3.71881128      -2.90475458      -1.35594653 
Hf       4.77368999       7.53708995       2.64943000      -1.60142941      -0.42832242       0.21760937 
Hf       5.67248000       5.22382002      10.43309997      -4.20586906      -0.55981019      -0.16224404 
Hf       2.15301995       7.55176996       4.79178000      -1.22580035      -0.23211276       3.58670195 
Hf      10.28670002       4.74276995       4.94458000       1.98249491       0.11026614       0.86709978 
Hf       4.88900003       4.65483999       5.19716000       2.51934819       5.06089105       4.61673063 
Hf       2.21029000       4.89958999       7.63610001       0.40825811       1.80419173       0.67922055 
Hf       2.63001996       7.68672005      10.18810001      -1.22472207      -2.43094658      -0.95518427 
Hf       2.66184998       0.02150413       7.61915997      -0.21620136      -0.45527668      -0.98260080 
Hf       4.56128998       2.35785996       2.58290996       2.13622180      -0.43894499      -2.44368433 
Hf      10.57073659       2.00055001       7.99614000      -0.01753144       0.64907126      -1.88366547 
Hf      10.19519998      10.15959999       4.98831003       1.44895937      -1.35944118       0.52339730 
Hf       7.61745004       5.25492000       7.69794997      -0.79342799      -8.25475301       2.77139611 
Hf       7.37385998      10.18239997       7.93868003       2.41194262       0.91641698      -0.14568959 
Hf       7.86597001       2.33954005      10.23490000      -6.46845215       5.49476458      -5.46597946 
Hf       7.86315001       7.52332999       5.04885003      -0.18049486       4.40790394      -3.14507339 
Hf       1.98881996       2.25909996       4.86325996       3.27989620      -3.12148020       1.25904346 
Hf       5.28230995       2.32060001       7.74234999      -1.56411450       0.94839771      -0.75246460 
Hf       4.93930995      10.44139997       5.13748000      -0.36011501       1.18485787      -0.60835314 
Hf       2.52959003       2.41165998      10.46790000      -0.54053861       3.19193731      -0.18153826 
Hf       2.21291001      10.12009996       2.34003997       0.93275958      -0.07674676       1.77624455 
Hf      10.22469994       2.08889002       2.38197997      -1.09234203       3.16636135      -0.71459929 
Hf       7.33901995      10.58744344       2.82949996      -0.60797044      -0.57295560      -0.55846703 
O       7.31993997       4.19540004       0.43339496      -1.41521370      -0.03352906      -1.33186420 
O       3.34444996       0.92811195       1.08421999       0.28619492      -1.22954995      -0.22086611 
O       5.87780996       5.89626005       6.91238004      -0.37226873       1.48046648      -1.36824380 
O       8.11303000       6.20913996       6.32828999       5.17137470       3.07532770      -7.45000746 
O       6.80138996       3.45612000       8.34888003       0.50920593       1.80212440       1.17293742 
O       8.67842997       9.38158995       3.96428004      -1.92372717      -1.37147820      -1.04428837 
O       6.20983997       6.73880997       1.19886004       0.24611535       0.63511555      -0.24974637 
O       5.84571003       1.64239002       1.23158995       0.33939774      -2.00974233      -0.85122194 
O       6.15066997       9.40098004       9.37766996       1.58025538      -3.86469903      -4.12908581 
O       1.36588003       8.63894002       1.19183996       0.33162416       1.78617960      -1.81099667 
O       0.86333102       1.06839999       1.00776004      -1.33260347      -0.28827426       0.06797361 
O       4.02452001       4.30593996       7.20715000       0.55606897      -2.23836998      -1.43465434 
O       3.28346998       9.28577004       9.32796998       1.74975181       1.79029359      -0.01068567 
O       8.74778995       6.32057001       0.56738999       0.06593933       2.97777633       0.39193487 
O       9.19967001       0.76026304       6.26853000      -0.11272710      -0.46862119       1.47902320 
O       0.77548902       6.23922005       0.64268204       0.53580697       0.82806261       2.28569428 
O       1.59151005       6.45485998       8.97063000       0.02983696       0.42858540      -0.91434020 
O       6.88221995       6.34148001       8.96647999      -1.75036284       3.19068042       6.30559722 
O       6.65508996       8.88452996       6.50082999       0.48322276      -0.49056102      -0.26231262 
O       0.85598597       8.75266999       3.54051997      -0.97589750       0.40546776      -0.21287498 
O       6.60448000       1.25063004       9.10113005      -0.36390288      -2.65726426      -0.42852983 
O       3.41320000       8.84368995       4.00913998       1.16179955      -0.77941796      -0.61115597 
O       9.28859004       9.15835003       1.08441000       0.26865558      -1.11291478      -0.57568165 
O       3.09037997       6.06839996       3.44210000       2.95409753       1.67571164       2.38462711 
O       8.82057997       1.00476000       3.72408002       2.59830588       3.04840562      -0.62757716 
O       9.52731004       2.93631001       9.45711997       1.23687842       0.67042467      -0.94129423 
O       1.21042002       0.73286396       8.98340996      -0.20200589       1.99339800       0.82888838 
O       4.07774000       9.62479001       6.65557004       1.13157867      -1.24171115       1.14364112 
O       0.69775700       8.95916996       9.11454000      -0.76393273      -0.12964433       2.16299080 
O       6.02048003       8.96087002       3.68814000       0.35322385       0.82106378       0.03623418 
O       0.83015996       6.13706003       6.48261999      -1.24660861      -0.38520840      -2.11877642 
O       1.35700000       3.61180005       6.12801004      -0.27901878       1.87577095       0.54226293 
O       2.76603004       3.04743005       1.93456002       0.99862211       1.22831905       0.80028252 
O       1.25656996       1.06479998       6.31654997      -0.53094559       0.17906367       0.56211961 
O       8.27674005       3.71785003       3.76990999       1.28089684       0.05207573       2.38708016 
O       8.92140999       6.76542999       3.30449998      -2.67424522      -0.63621172       1.20326815 
O       6.55904004       3.71124998       5.78334000      -0.07875565      -1.13384233       0.75428884 
O       0.84781795       3.42597996       3.73238003      -2.32090553       0.94004043      -1.24016373 
O       0.88093702       0.86605903       3.39573999      -0.02207897       0.19886237       2.07398513 
O       9.54995999       5.89448996       8.33502999      -0.24220123      -2.37348777       2.83029822 
O       4.40019995       6.69377996       8.97837003      -0.69450720       1.01629981       2.86902157 
O       3.96794996       1.23730995       8.95225004      -0.45401237      -0.14062066       0.83534595 
O       6.73809999       9.60278998       1.03460000      -0.64730731      -0.57298380       0.56121651 
O       6.13346002       5.89044998       4.01795995       0.60985017       2.22089928      -0.49378131 
O       3.60912996       6.57656997       1.02449002      -0.33668027      -0.73381797       0.81434336 
O       0.61577599       6.12280005       3.59863995       0.89201675      -1.04813333      -0.32903190 
O       3.68092004       4.23252005       9.80213004       1.80140467      -1.93396395       2.20488098 
O       3.43035000       0.76371802       4.23431995      -0.49581486      -0.18483416      -3.14220577 
O       3.80188005       9.12746998       1.62485998       3.18435267      -0.62683547      -1.82063361 
O       9.30341997       4.18694004       1.69584003       1.66608478      -0.91244929      -0.61825443 
O       3.95512003       1.69855998       6.32930002      -1.09642391      -1.53161115       1.05927136 
O       3.61040002       6.71005999       6.27025001      -0.53574868       1.14615160      -1.49147046 
O       8.43164996       1.43282996       0.95767302       5.72390516      -6.07198741       8.45765635 
O       6.43318005       0.96916701       6.46874004       0.47861012      -0.91922149       1.49857295 
O       9.35643997       8.76684998       6.14917998       0.06058200      -2.83928005       1.44671172 
O       8.52936005       8.25651998       8.80283997      -1.01916651       0.96516714       0.93131182 
O       9.18347995       0.07086217       8.83717998       0.31758215       2.44859195       1.26443595 
O       1.38450995       3.63144996       8.99338000      -1.25975457      -2.25181112      -2.57998428 
O       0.95559898       3.77292000       0.70212598      -0.21199273      -0.43029713       0.55302503 
O       9.39308998       3.17966995       6.42619997       0.42043786       1.86252412      -0.19231036 
O       4.43794995       3.11874005       4.35009999      -3.37973282      -1.24782793      -0.22846028 
O       1.47666004       9.09087005       6.18500001      -0.33355975      -0.27064231      -0.09998260 
O       6.31372997       1.41347997       3.95760000      -0.21881992      -2.73802071      -0.66250744 
O       5.34036999       4.24996001       2.12907999       0.48379590       0.00701421      -0.96936719 
96
Lattice="10.61596244 0.0 0.0 0.0 10.61596244 0.0 0.0 0.0 10.61596244" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.019545429070337864 -0.004516806784002725 -0.008959072004703666 -0.004516806784002725 0.02216869619671834 0.001503457732891667 -0.008959072004703666 0.001503457732891667 0.04495903533658654" pbc="T T T" energy=-926.55402091 free_energy=-926.55402091 config_type=crystal 
Hf       9.95404996      10.25889996      10.22640004      -0.01913289       1.87011405       0.31796063 
Hf       5.03359001      10.54179996       0.29450400       0.14598468      -0.80452329      -3.00368203 
Hf      10.58877284       7.61439004       7.52662002       0.14744404      -1.86222822      -0.35412808 
Hf       7.11619003       1.78196000       5.37862005       1.62998092       2.99241700      -1.66881306 
Hf       0.05872082       4.98850997      10.46270000      -3.90984952      -0.69594180       1.31792472 
Hf      10.58285497       7.42358998       2.10081998      -0.55813542      -1.99199538      -0.50068243 
Hf       2.33382996       4.87867000       2.49440998       0.27947086      -2.11218571       2.18891150 
Hf       7.91278001       4.47526003       2.29911003       0.31502722      -0.52347785       1.29928040 
Hf       7.38193995       7.88147003      10.10950003       4.62042809      -0.48636169      -0.61870543 
Hf       5.35367997       7.95628995       7.62295999      -1.59177307      -2.08025831       1.60144096 
Hf       5.09567004       7.12333001       2.44763997       0.66515518      -2.65973697       1.27771381 
Hf       4.98375996       5.47714000      10.28860002       1.52170533      -2.28316377      -1.69659807 
Hf       2.79839997       8.03292998       5.21704000      -3.88651149      -3.67214147       1.65945351 
Hf      10.31910000       4.90358004       5.00982002       0.85610116       0.13894384      -2.74579318 
Hf       5.10695003       4.82588000       5.49049998      -0.58796525       0.58266723      -0.31538027 
Hf       2.27920000       5.03600005       8.12041995       1.88317421      -2.62935711      -1.12430571 
Hf       2.63370000       8.19806001      10.41790000      -0.07498499      -2.82562323       0.66683078 
Hf       1.92426995      10.22640004       8.06664002       3.56145889       2.84770538      -0.81837171 
Hf       4.73496002       2.24760000       2.37619996       4.84697748      -0.34518542       3.34856535 
Hf      10.17909998       2.66544003       7.58582004      -2.03669952      -0.16122467       1.54127504 
Hf      10.36580005      10.44900000       4.95972001       0.71257146      -0.98845120       1.51431879 
Hf       8.02543002       5.33312003       7.72894997      -1.04302757      -1.35917990       4.34679551 
Hf       7.56957996      10.26339996       7.57834004      -0.95355754       1.73566182       1.70561418 
Hf       7.34097996       2.60459995       9.97095004      -1.34014931       3.28967075       3.75032890 
Hf       8.09312005       7.54090996       4.72393003       3.12793374      -2.18847837       2.04855894 
Hf       2.23941997       2.13439997       5.08037997       2.43260217       3.36716065      -2.37816402 
Hf       4.46920999       2.07733004       7.89156995       1.62121906       1.93850743       0.49706606 
Hf       5.21875002       9.81904995       4.91713004       3.88766917       3.75378006       1.21934295 
Hf       2.02139995       2.07639998       0.13857398       0.89893530       0.90454958       1.25431011 
Hf       2.15860999      10.10619995       2.65889996       1.48327132      -3.19957157      -0.72451199 
Hf      10.11840003       2.01728998       2.24839004      -0.83684596       5.22830817       1.82456652 
Hf       7.85366003      10.05339998       1.98421001      -3.39208643      -3.47777714       5.44650094 
O       6.42534004       3.45774997       1.16855005      -0.13167593       0.59299563       0.15908968 
O       3.36985999       0.39948302       1.45390001       0.80927473       1.77553142       0.29597979 
O       6.86814998       5.95991002       6.31777995      -2.93121084      -0.36772891      -4.53444609 
O       9.37214999       6.08835998       6.61372995       1.89972123       1.32673051      -1.02638302 
O       6.36266998       4.18271999       9.26223996       0.37775469       0.68778731      -0.62856106 
O       9.08758997       8.80285001       3.18438002       0.59193438      -0.61628822       2.35157037 
O       6.47395000       6.56116002       0.50969401      -2.61530561      -2.72587288       2.85278341 
O       6.17257004       1.05814001       1.41937000      -1.26782068      -1.85558653       0.14561503 
O       6.20353001       9.24352997       9.34617995      -3.73680094       0.18150756      -3.09402529 
O       1.40204995       8.74668997       1.23487996      -2.39645190       2.25623967       2.35729800 
O       0.40800095       0.81962502       1.01457995       3.23343934      -1.51485081      -0.90241003 
O       3.41603996       3.80143995       6.68155003      -0.59434893       0.12446594      -0.08415542 
O       3.26762997       9.84557999       9.57025999       0.52359519      -1.64052363      -0.77017928 
O       9.25151996       6.00399005       1.23940003       1.91107509       0.98858278       1.13891006 
O       8.87343002       0.69152199       6.36618004      -0.69511448      -0.91816032       0.88245339 
O       1.45430999       6.46923003       0.72388401      -0.90409767      -1.89711116       2.00997627 
O       1.21110997       6.43707004       9.08949002      -0.09574126      -0.45333886      -2.91143885 
O       6.77560002       6.86405997       8.43810995      -1.86465966       0.43438365       0.54688353 
O       6.72088004       8.85124998       6.40494996       0.25026988      -0.15399120      -0.44343270 
O       1.24804004       8.89853996       4.12143998      -0.57699447       0.84305746      -1.63603899 
O       6.36882002       1.03401003       9.24137004      -0.92913335       0.19409696      -0.70590464 
O       3.75397003       9.22995003       3.94183998      -1.69993173      -2.61664563      -2.22873727 
O       9.13697999       8.89164998       0.79646895       0.81404783       0.05821614      -0.56759227 
O       3.57151996       6.30892996       4.01656998       0.63237836       2.53295157      -0.89333270 
O       9.44577997       1.21558004       3.96427002      -0.81087686      -1.87612737       0.01471645 
O       9.12611997       4.34551004       9.22681004       1.19441802      -1.36709665      -2.19486389 
O       1.30730004       1.06886000       9.24943000      -2.19851225      -1.48699491      -2.07310150 
O       3.70158005       9.41927998       6.62922002       2.25419341      -2.64938132      -0.80000642 
O       0.76232398       9.08064002       9.32334003      -0.52576907      -0.95420978      -1.11609091 
O       6.51030001       8.01463996       3.94899004      -4.65150068       1.27093441      -1.97990313 
O       1.18480001       9.33466004       6.54487004       0.63983236      -0.19133385       0.84700097 
O       1.02127002       6.82952996       5.67712000       1.52160235      -0.86171947       2.77702128 
O       3.40039999       3.09432003       1.49708999      -3.07587548       1.26715805      -1.77555116 
O       0.57448504       4.20252003       6.95565004       0.69691735       0.29904160      -0.48435818 
O       9.45407996       3.67401995       3.71594005      -3.68132611       0.03551134      -1.97424425 
O       8.62510005       5.82368005       3.81493995       0.36187106       3.46371190       1.87474229 
O       5.85140002       3.21602004       6.85322999      -0.20611590       0.06861906      -2.72625358 
O       0.90937895       3.43618003       3.83306002       3.74107743      -0.40162944       3.03020240 
O       1.29391002       0.90855398       3.61527004      -0.24529266       0.47533584       1.47995386 
O       8.95434998       6.77829998       9.39681003       2.22361961       0.38176299      -2.30273118 
O       4.03751995       6.98224005       9.15484995      -0.41182827       0.72585104       1.57177294 
O       3.95962002       1.51231997      10.06490004       0.29951303       1.43957203      -2.18967477 
O       6.54858998       8.83347005       1.06823005      -1.42187392       2.59696141       2.45214310 
O       6.01321001       5.32705004       3.32582997      -0.34377638       1.41876193       0.14268744 
O       4.03598998       5.47355000       1.41842995       0.09947216       2.23814507       0.05268947 
O       0.87233295       6.00335001       3.32622000      -1.42121051       0.74221691      -0.64583104 
O       3.76828003       4.27115000       9.25231000      -1.96510808      -0.33463746      -0.73108173 
O       4.31352998       0.81922395       4.03078996      -0.83137085       2.87022070       0.40491937 
O       3.85112000       8.55573004       1.50562002       0.78574977      -1.27649610      -1.83856752 
O       9.23247004       3.52664003       0.87065404      -2.38525392      -1.16887784       1.74707423 
O       3.06779998       1.19113997       6.88448997       1.36053449      -0.12523848       0.86106302 
O       4.23307999       6.54321002       6.61173999      -0.15090443       0.32331506      -0.96361358 
O       8.67133999       0.86899402       1.32335997       1.90881545       3.07929219      -2.59079064 
O       5.96740999       0.68226795       6.77010998      -0.72057835      -0.14291682      -1.41448933 
O       9.85425004       8.54835004       6.05709003      -5.68083001       1.90291122      -2.45874399 
O       8.52231004       9.42311001       9.04560002       2.35237433       0.94969350      -0.89687606 
O       8.88263003       1.70660004       9.39197998       4.75880131      -3.06157044      -3.02398934 
O       1.13211001       3.42482997       9.45935004       0.45288214       2.64208593      -1.60051462 
O       0.84378398       3.39292996       1.36567998       2.70581462       1.66963091      -0.56287234 
O       8.46029997       3.36741004       6.54782998       2.07807145      -0.41014108       0.77076528 
O       3.40130001       3.77401998       4.02490001       1.74685101      -1.26229144       0.06719805 
O       0.90387202       1.51234003       6.30501001      -4.46009746      -0.74575393       0.68737464 
O       6.83698003       0.15185497       3.99154997       0.09810205      -0.97509336       1.20087913 
O       6.79293005       2.85091003       3.75122995      -1.10300676      -0.10829468       1.17039970 
96
Lattice="10.6225928 0.0 0.0 0.0 10.6225928 0.0 0.0 0.0 10.6225928" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.04706003866936466 0.016497699546259664 0.0008665646982832319 0.016497699546259664 0.04249161555984178 0.00926690978837681 0.0008665646982832319 0.00926690978837681 0.03274050403619521" pbc="T T T" energy=-929.52384535 free_energy=-929.52384535 config_type=crystal 
Hf      10.50879997      10.13319996      10.25490004      -0.36906539       0.24796378       1.02978520 
Hf       5.64868004      10.06220004      10.36459998      -3.55071935       1.75952205       3.07439622 
Hf      10.08519997       7.83701000       7.48681998       1.34311680       1.67205879       1.30467820 
Hf       7.66237001       2.58341999       5.10207997      -0.60881509      -0.67846634       1.92314980 
Hf       0.12649097       5.05479000      10.34680002       0.27790815      -2.57175827       2.93066230 
Hf      10.20460004       7.47514001       2.23211002      -1.45288153      -0.24845839       0.67872238 
Hf       2.24765003       5.16794005       2.75005001      -0.34834372      -2.04366466      -1.02476930 
Hf       7.48185997       4.85941003       2.75264001      -0.78420488       2.72840249      -1.55940282 
Hf       7.76389002       7.56623002      10.57629997      -1.52489070      -1.62962753       1.35918578 
Hf       5.40695997       7.44355001       7.51451000      -1.54428608      -2.49185283       1.15324323 
Hf       4.88769003       7.71379005       2.05193003      -0.29375109      -1.23139730       0.45821838 
Hf       4.82752005       4.82918004      10.07610002       0.73960180      -1.81635587       3.29923989 
Hf       1.94497996       7.49922005       5.22921000       1.34982102       1.69427901      -2.46688863 
Hf      10.20139998       4.87793997       5.59105003       2.42721806      -3.54409079      -4.02225170 
Hf       4.92160998       4.75529003       5.39163996       0.65610161       1.45981936       1.01298227 
Hf       2.49644995       4.86970003       7.64469996       0.37315205      -0.12497429       1.70460301 
Hf       2.16242996       7.57702002      10.11560003      -0.09160562       1.57682530       2.51767030 
Hf       2.82369996       9.86723000       7.55092998      -1.83945494       0.88427691      -1.46935187 
Hf       4.69341003       2.21969997       2.34010004      -0.37929793       1.77816201      -1.90298862 
Hf       0.14684502       2.17369001       7.84774997      -2.79486027       1.24849225      -3.02983580 
Hf      10.08660003      10.38420004       5.07287995       1.15532206       0.74030067       1.56498369 
Hf       7.87497005       5.15399003       8.12341996      -3.07684122      -3.64803904       0.55840871 
Hf       7.60271002      10.17740004       7.59824003       1.83840378       0.25460622      -2.34256632 
Hf       7.98933001       2.18126997      10.37309996      -0.80376708       1.14935821       0.39468507 
Hf       7.15309996       7.90882000       4.84347996       3.68491290      -4.94579051      -3.21808705 
Hf       2.31070999       2.40306005       4.99007004       0.18294097      -0.19091601      -0.11605066 
Hf       5.08961001       1.96163002       8.02829995      -0.67930103       1.58404351      -2.98874732 
Hf       5.02061000      10.22280005       4.97954996      -2.95844794       1.52843888      -0.43296264 
Hf       2.48152000       2.07590002      10.54080000      -1.19236788      -1.47704176      -1.41484756 
Hf       2.24461005      10.33110004       2.55189999       0.11415103      -1.21636403      -0.75173989 
Hf       9.95744003       2.40021000       2.38392005       2.80156376       0.64490291       0.61417200 
Hf       7.81034995      10.29639996       2.59760996      -2.24018052       1.71053494      -1.59856053 
O       5.90013997       3.70027005       1.48652999       0.78851905       0.62355910       0.69773537 
O       3.66775004       0.67207902       1.05125002      -0.51903700       1.22705262       2.87312316 
O       6.55224001       6.01774004       5.76831996       0.87450425       2.68484990       2.02689337 
O       8.54420997       8.88362996       6.28944004       3.37153681      -0.71594028       0.77415081 
O       6.48144001       3.47260005       9.69422004       0.28365177      -0.44672983      -1.07334708 
O       8.79601003       9.18890001       3.86478002      -0.18668924       0.80052874      -0.31772991 
O       6.03612998       6.56930000       0.55326298      -0.06874296       0.91047398       1.30319066 
O       6.80360997       0.79544896       0.80906096      -2.54096356       0.09234868      -2.83922284 
O       6.13678998       8.73456003       9.01663002       2.43542411       0.53965864       0.32389465 
O       1.11518996       9.02081001       1.09601002      -0.71376115       1.46339595      -2.50040229 
O       0.81568203       1.25297997       1.02348002       0.85640906      -0.70277615      -0.99450627 
O       3.14914996       3.75680996       6.19775995       1.65210058      -0.73214845      -2.24624395 
O       3.78670003       8.25046001       8.29830002      -2.09867754       0.82244732       1.85694479 
O       8.70787002       5.88536001       1.11932002       0.02985387       5.66789645      -2.17757311 
O       8.68746997       3.94615003       6.64105997      -0.61765295       0.76538919      -0.10064076 
O       0.93271995       6.55158003       1.03656004      -0.76730043      -0.68142842       0.32806916 
O       0.40490201       6.69903001       9.21603001      -1.15588411      -0.75353728      -0.79994556 
O       5.97485004       5.99086998       9.04091996       2.62738545       0.66943505      -3.79156819 
O       6.31220999       8.84099002       6.39058996      -2.38794296       1.53577164       0.49527138 
O       0.70225398       8.18390001       3.57116996       1.27441920       2.10955021       1.44456713 
O       6.55462999       0.83829604       8.66881999       1.18892499      -0.75236422       3.01968890 
O       3.57937995       8.99695996       3.28176995      -0.17300833      -0.37893122      -0.28563055 
O       9.08176999       8.74444998       1.01607002       0.83783069       0.66793090      -0.11746743 
O       3.75191996       6.15318001       4.65725996      -2.21094928       0.37629098      -1.26334242 
O       8.81445000       1.27281001       4.01496000      -1.58385348      -0.34107773      -1.54171347 
O       9.19307001       4.12421995       9.41820004      -1.63684110       1.43069364      -1.67933927 
O       1.50207000       1.27879000       8.54829000       3.31999065      -5.02471116       2.00254489 
O       3.57244998       8.90936999       5.88436999       1.06779411      -0.32461930      -0.12271818 
O       0.90686997       8.95521996       8.60986003       1.44611919       1.58249869       2.51572747 
O       6.16110999       9.09320001       3.65322003      -0.17405157       0.80390864       0.70656566 
O       1.19287001       9.50696997       6.14983995      -1.66070345      -2.18079978      -0.02662254 
O       1.73101003       6.46355995       6.81900997       1.06805814       0.33241718       1.99188044 
O       3.54177002       3.26942002       0.91652899       0.84209539       1.83582476      -2.00075237 
O       0.66688096       3.89667000       6.96312998       0.50566149       2.23207947       0.64820142 
O       9.06572998       3.68946995       4.08111995      -2.29878007       1.43611275      -0.69735922 
O       8.43775002       6.76449004       3.61265001       1.84625278      -1.71051044      -0.42490417 
O       6.06159998       3.73975996       6.98820004       0.49228001      -1.73120274      -1.17627759 
O       0.82497403       3.45064995       4.42300003      -1.35096181       1.40647331      -1.54889707 
O       0.44508898       0.40875302       3.57950997       1.92145689       0.16523961      -2.74163186 
O       8.40112003       7.16796002       8.42719998      -0.65733641      -3.45640863      -0.09495306 
O       2.74845004       5.82540004       9.74977004       1.86396621      -2.71608016      -2.55002604 
O       3.80356998       1.00255999       9.21877000       1.45965275      -1.87746728       0.97371991 
O       6.62705005       8.98550997       1.29677001      -0.45465189      -0.53114060      -1.81426854 
O       6.06453001       6.44963002       3.31027005      -0.34853640       0.08755358      -1.01185570 
O       3.35053998       6.29757004       1.39714002       1.43207088       0.38568619       2.12055110 
O       1.07643003       5.97826000       4.20630997       0.83911306      -2.32295081      -2.29909878 
O       3.86277001       3.42854996       8.45051997      -0.43237310       2.38566028       3.63609756 
O       3.16841998       0.77893104       4.03209998       1.61775227      -0.25344308      -0.17923263 
O       3.86456002       8.92233996       0.71032301       1.33641476      -0.99373973      -2.79434091 
O       8.95728000       3.90432995       1.41852001      -0.59724931      -6.11805258       0.54868106 
O       4.04648000       0.60681105       6.74853002       0.08200622       0.69422529      -0.40261675 
O       4.34113001       5.80908002       7.14668997      -1.29994570       0.03404315       0.25655841 
O       8.90402002       0.96472104       1.23331999       2.68203028       0.57267231       1.21831852 
O       6.37511996       0.78617395       6.03106002       1.28703363       0.58877552      -0.60240187 
O       9.05934995       0.91527701       6.52570000      -0.60252237      -0.32892068       0.93848823 
O       8.99794998       9.36118997       9.07635003      -0.37771135       1.02232369      -0.15514495 
O       9.44716998       1.39372996       9.09764004      -1.75621810      -0.80218822       2.80666194 
O       1.11500003       3.34402004       9.60134002      -0.66786395       2.67070339      -0.63150087 
O       0.98150803       3.96341005       1.60151998      -0.59889367       0.79249870       0.46138286 
O      10.39919999       6.75503997       5.84466996      -3.57273039       2.43284707       2.11900046 
O       3.19285003       3.22546001       3.30074998       1.23806068       2.01474019       0.48976499 
O       1.01042995       1.38810997       5.86578002      -2.50830913      -1.44813693       3.10453854 
O       5.97420005       1.02990998       3.20474001       1.51180275      -1.74994577       1.97582354 
O       6.17248997       3.77787998       3.96761999       1.52883910      -1.59149493       2.10550407 
108
Lattice="10.956 0.0 0.0 0.0 10.956 0.0 0.0 0.0 10.629" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011144928891225524 0.00011656947029144916 -0.005082413289699652 0.00011656947029144916 -0.025303976305531675 0.004523605216746401 -0.005082413289699652 0.004523605216746401 -0.0012670909708982817" pbc="T T T" energy=-1060.9099049 free_energy=-1060.9099049 config_type=crystal 
Hf       1.44485997       1.70022998       2.55400000       0.68268830       2.76044846      -2.86304882 
Hf      10.85740005       7.34392995      10.49879996       1.99618199      -0.99470767      -2.52560458 
Hf       1.95919005       8.98702997       7.86497999      -3.62774859      -2.28184616      -1.77093169 
Hf       7.42291997       3.32225997      10.37550005      -3.61294832      -0.81921123      -1.62918353 
Hf       9.06365996       5.46513996       2.53732002       4.82646500      -0.13686855       1.16962460 
Hf       3.67843997       7.09390000       5.20647003      -3.35436254      -1.23381824       4.20373316 
Hf       3.33530999      10.68650004      10.27640004       0.80496286       1.58135344       1.69661534 
Hf       7.26202004      10.71569997       4.87960001      -0.03482958       0.53929458       3.52299236 
Hf       5.43579004       1.68121003       2.64416995      -0.38919966       3.97270336      -3.02675748 
Hf       5.41285004       1.27552995       8.05335000       0.16753162       0.91980039       0.77150452 
Hf       1.94220003       9.17174999       2.75337995       2.17671264      -3.18877943       0.34662810 
Hf       3.55209998       0.06629815       4.98276997       1.46764362      -1.07674270       3.39868945 
Hf       3.60952005       3.42630001       0.17245000       1.82224357       0.82986334      -0.51930408 
Hf       7.31231005      10.61020004       0.22225505      -0.94449955       2.23758275      -4.11516359 
Hf       8.97298997       1.72689995       2.87310001       1.14770007       1.11500470      -1.06278156 
Hf       5.54077996       5.23061001       7.93310997      -1.71706232      -1.32504298      -1.23039522 
Hf       3.63918002       3.45454995       5.35465998      -0.03186778       3.46121034       0.37352009 
Hf       0.33190501      10.50120001       5.36813999      -1.50034702       0.79000000       1.83878978 
Hf       9.15786995       1.59938997       7.23392999      -0.35434116      -1.79182238       3.58664634 
Hf       5.25066004       9.33721002       2.36501000       0.66520673      -4.76649899      -2.41363693 
Hf       3.43502997       7.04638000      10.29110005      -1.41495182      -3.69155520       1.51295256 
Hf       5.59001995       5.71280001       2.52328995      -3.29137070      -4.84669153       0.28902352 
Hf       8.84095001       5.54514998       7.97061004       2.78503830       1.61418485      -0.33845681 
Hf      10.75099998       7.40602998       5.26626996      -1.07538825      -3.20260561       2.59423119 
Hf       5.37489999       8.59817995       7.83825996       6.95418078      -0.33944574      -2.16985241 
Hf       7.23464998       3.51770997       4.95066997      -1.69291238       4.90995819       4.19882631 
Hf       7.02923999       7.42367998       4.86164997       3.29528462      -2.97661026       4.30436470 
Hf      10.75129996      10.92959998      10.25459996       0.04398298       0.34805952      -0.42871401 
Hf       0.02090076       3.69857995       5.05063996       0.53620168       2.39701701       0.71152651 
Hf      10.58300002       3.40857002       0.07013089       1.78777361       1.80840419      -1.90023873 
Hf       1.45265001       5.23896002       7.96423997       0.60253158       1.54210408      -0.13196500 
Hf       8.75104003       9.21978997       7.67772996       2.09475092      -1.72412349       1.59562263 
Hf       1.68438004       1.84175005       7.79553000       1.29196455      -0.25382790       1.79941365 
Hf       6.96814002       7.27112995       0.09436607       1.25032817       1.08208825      -1.39904226 
Hf       9.62217000       9.14775000       2.37017995      -2.05222449      -2.84303720       1.22574384 
Hf       1.94961001       5.48331004       2.56075005       1.09666248       0.88657431      -1.96411459 
O       7.33509996       5.53370995       9.63315996       0.46997714       0.18803310      -1.18269733 
O       8.97889996       7.74870002       3.64662995      -1.62435703      -0.94881747       0.73562463 
O       7.07839003       9.06112003       1.37354996      -0.26939412      -3.44937229       1.68778335 
O       5.53981003       6.80715004       6.49157002       1.75433417       1.14580408      -0.61106512 
O       8.93658000       7.00420005       6.34453003      -0.84914806      -0.68143846       0.07646544 
O       5.31286996       7.27268001       9.16503998       0.45431945      -2.71760545       1.12670638 
O       7.33672002       1.23689000       1.68949996      -0.43246746       0.83301431       0.48366442 
O       6.87674003       1.35384004       9.80550005      -0.40009785       0.72831853      -1.11588550 
O       9.27852005       7.44362998       0.99164701      -1.57599260      -0.17562117       0.65625651 
O       3.84386001       8.61789998       6.94205000      -4.96568322      -0.58641203      -1.86537602 
O       7.23208003       1.78942003       4.17730999       0.25285152      -2.65693008      -1.72150017 
O       6.70322000       9.07754001       4.04349003      -0.88690136       1.05733173      -3.17660751 
O       9.14180001      10.28839997       0.88299801       1.65644928       1.72339278      -2.07144394 
O       2.92296997       8.75477000       9.48827999       3.37351177       3.48063109       2.61419844 
O       7.22023002       9.23582999       9.17531004      -0.12709941      -2.38321886       1.26019379 
O       8.96506001      10.85810003       8.83472000       1.33684808       1.03950407      -0.61019710 
O       8.95609998      10.72520003       3.40136004      -0.54441836       0.76519978       1.57503046 
O       5.32299002      10.87890000       5.69485005       2.15745721       0.23797512       1.71687539 
O       1.84008003       2.96453003       6.05443996      -2.49315728       1.23267819       0.72683082 
O       7.19249995       1.49852005       6.62771997       0.08082121       0.06374749       1.47573294 
O       9.39392003       3.11767004       6.07996997      -2.20226333      -0.81137705       0.92091109 
O       3.46084997       9.42588000       1.55302998      -2.06752086      -0.05250515      -1.16433044 
O       7.10339995       5.42314999       4.24246002       1.61180595       0.77343344      -1.41854240 
O       9.43172996       3.68708995       3.74715000      -3.97388964      -0.77439060      -2.15947649 
O       8.78822995       3.81972997       1.18272996      -0.29956557       0.03010663      -0.28418597 
O       7.35285996       5.85187996       1.68520999      -2.21270840       2.32854315      -1.35792395 
O       9.10525003       3.16725996       9.10482999      -2.95508258       1.65404844      -0.41952908 
O       5.09669001       7.33866000       0.86706301       1.56939221      -0.46935922       2.93249903 
O       3.62416000       5.17011997       1.35763005      -0.01662310       0.42033449       1.94337578 
O       3.55428000       8.97298997       4.37712998       0.41269998       4.42237302      -0.78138929 
O       2.67280001       7.22596001       3.44322001      -3.30167714      -0.81716825      -2.11861924 
O       0.32300501       8.87647002       4.03831997      -0.27131727       2.13728191      -0.52021798 
O      10.82970000       5.21355996       6.60853005       1.32897041      -0.36981827       0.96551899 
O       7.28660005       4.84641005       6.88991996       2.19695466       0.17983073       1.29071870 
O       9.14501001      10.71109998       6.09258000      -0.68119094       1.54859837      -1.19965365 
O       5.83947996       3.43462997       8.90753003      -0.47768033      -0.45030143      -1.54121199 
O       5.36136001       3.89029001       6.17291005       0.41797525      -1.57431538      -0.49926050 
O       1.63989003       7.05039000       8.94579996      -0.68455634      -2.31723899      -1.05064651 
O       1.87240001       7.00272001       0.97810705      -0.80986770       0.61168620      -0.68166155 
O       1.26398999       3.98518003       3.63244002       0.45415702      -2.84968522      -1.75427327 
O       0.27011897       0.91098800       6.82494000      -2.25971477       1.18825036      -0.52806339 
O       2.15078003      10.27059998       6.39997004      -1.23667539       2.10201937      -3.76948714 
O       1.80380000       0.11330597       8.84017002       1.07483287      -1.80905343       0.80036738 
O      10.26709998       1.83932001       1.35060003       1.22968109      -0.78530945       0.97490226 
O      10.73990002       1.74475998       9.37464004       1.69139764      -1.03644005      -0.20338587 
O       1.43336997       0.51375204       0.81688499       0.98985122      -0.83804862       0.97679065 
O       2.03481000       0.14735097       3.65341997      -2.43182050      -2.43755921      -0.59961354 
O      10.82679995       1.64605004       4.02008996       1.05661098      -1.33740702       0.09169500 
O      10.44059996       5.84407995       4.13617002       0.95452747      -1.46744464      -0.97770336 
O       5.20373999       7.06137996       4.03812004       2.52159439      -0.02176737      -4.11985902 
O       0.38593200       9.05985001       1.52038003       0.84736310      -0.08273506      -1.18610955 
O       1.74358002       3.34314999       0.90735596      -0.83657041      -0.95309603       1.13933831 
O       3.41397002       5.55393998       6.81043003      -1.22087341      -1.45559244       0.78795554 
O       3.56309005       1.48321002       6.97067996       1.60922584       0.31675026      -0.42373629 
O       1.46801000       3.48236997       8.94744001       1.33239356       0.39540497      -0.96828876 
O       3.68188004       5.16995004       9.51213997      -0.08582492      -0.51254769      -0.89535619 
O       9.38863004       7.55026999       8.84690997      -0.96916454      -1.45015476       0.16592288 
O       5.63486998       3.88621996       0.82771903       0.37418645      -1.28289237      -0.11544220 
O       5.68813005       3.72030997       3.31760001       0.65792660      -1.80754134       1.07384012 
O       3.41361997       4.96908000       4.05407003       0.85189108       0.98349900       0.75434738 
O       0.24802204       9.16781000       9.45896999       0.11968438      -0.46999618       0.36696315 
O       5.06914005      10.22289997       8.69724005      -2.02490305       5.64387954       1.29327112 
O       3.92505997       1.56465002       9.55297999      -0.15424995       0.66806076       0.33489143 
O       3.72876000       1.54791002       1.65155995      -0.52143460       1.55287800      -0.51650991 
O       5.28025001      10.60639996       0.78049395       0.67474888       0.51662881      -0.83239909 
O       5.28145999      10.85450000       3.34854996      -0.38635059       3.80114554       2.98376937 
O       3.49880999       2.00322999       4.11249998       1.20213381      -1.80337942      -0.96623994 
O      10.62290002       8.88657999       6.64940004       1.12379745       2.64645645       0.55516108 
O       1.68376004       7.52842997       6.15135997      -0.33660578      -0.76637409      -0.50397791 
O      10.94260005       5.25004004       1.47927003      -1.22781510       0.27406426       0.20569298 
O      10.62619997       5.21504997       9.32126003      -0.28234855       1.26408249       0.68830805 
O       7.34573002       8.93427004       6.30552001      -2.14534249       1.14551160       0.87900693 
108
Lattice="10.95609004 0.0 0.0 0.0 10.95609004 0.0 0.0 0.0 10.62908735" Properties=species:S:1:pos:R:3:forces:R:3 stress="2.0589053398824878e-05 -0.0016502665471923982 -0.01055934726569192 -0.0016502665471923982 -0.010726966344957916 0.00025170299876092165 -0.01055934726569192 0.00025170299876092165 -0.0013788582989663857" pbc="T T T" energy=-1064.62758194 free_energy=-1064.62758194 config_type=crystal 
Hf       1.57447998       1.84393000       2.44924997       4.92560173      -0.64173696      -0.35111782 
Hf      10.94679599       7.16207001      10.54219998       1.08057917       0.62707598      -1.76165502 
Hf       1.85516997       9.18150003       8.21010998      -0.00851888      -0.08978051      -0.14931229 
Hf       7.20461996       3.42287996      10.34170000       0.37073851       0.53147132      -0.37613731 
Hf       8.98713001       5.48778005       2.24565001       0.44782299       0.66972901       0.26721290 
Hf       3.42129998       7.22022998       5.25141997      -0.16636213      -3.11643012       0.30576806 
Hf       4.01901999      10.90219999       0.17540301      -4.93521218      -1.15612710       0.54289967 
Hf       7.18368999      10.77569999       5.20574997      -0.03538431       0.94871803      -0.70341847 
Hf       5.54462003       1.75828997       2.36708999      -3.92753954      -1.30961970       2.26665166 
Hf       5.31788999       1.37169995       7.80091998      -2.79371910       1.73544731       2.16526029 
Hf       1.56906997       8.98862004       2.21808996       3.48803977       1.65106807       1.87826275 
Hf       3.55950996      10.66710005       5.36163000      -2.02090388       5.98456896       0.68322982 
Hf       3.66537000       3.31362999      10.44299999      -1.60103456       3.02847248       1.35652652 
Hf       7.22855003      10.69030001      10.34469995       2.05692619       0.77076566       4.33646669 
Hf       8.98025003       1.80370998       2.88919002      -0.25044892      -1.01452633      -2.15741399 
Hf       5.20949000       5.40072997       7.98171002       0.12204921      -4.07689658      -3.48394841 
Hf       3.55353999       3.27441004       5.09438998      -1.53547618       2.31057322       2.54889645 
Hf       0.11580697       0.24627099       5.06084001       0.39078737      -3.61648388       1.28362412 
Hf       8.85650997       1.65076997       7.49353996      -0.52320841      -0.28741346       3.72582525 
Hf       5.39336003       8.81017996       2.96722995      -3.20138234       1.31024812      -5.16047701 
Hf       3.57658996       7.05474996      10.55590003      -1.05416987       0.98468070      -0.89632340 
Hf       5.42742000       5.33437003       2.37062002      -0.83935102       0.61454132       1.12590129 
Hf       8.91197003       5.07735999       7.82096995      -2.64340244       1.83783632       0.18052893 
Hf      10.95339999       7.37148998       4.76133996       2.31035289       1.94905591       3.76789922 
Hf       5.59758999       8.82812998       7.74897999      -3.11567404       0.71567294       0.32510686 
Hf       7.17425001       3.69313000       4.80791003      -3.13080928       0.94894015       3.99693357 
Hf       7.30536000       7.13211004       5.11623998      -3.29865362      -2.90416345      -0.24650484 
Hf      10.93130002       0.31598405      10.52340000       0.16649870      -2.36214136       0.40870415 
Hf      10.74429995       3.84676999       5.27570999       1.43481517      -1.91682531      -0.05917858 
Hf       0.04577608       3.55196998       0.11780504      -0.92549200       3.06663064      -1.26689892 
Hf       1.57830004       5.34842998       7.94732004       2.33571453      -0.28885324      -1.60589530 
Hf       9.34256004       8.93067996       7.75230998       1.67825165      -0.33443389       1.24954378 
Hf       1.42587004       1.67764000       7.71561996       3.51479862       2.22137075       1.67752029 
Hf       7.34379999       7.15749004      10.40089998       0.81994848      -1.18158318       0.01111621 
Hf       8.83046998       9.12654001       2.53585003       0.67144819       1.47247480      -2.06308434 
Hf       1.79021996       5.20869995       2.73486003       2.31685153       1.05832119      -0.40283107 
O       7.39492998       5.29686997       9.37105004      -1.47874905       0.29881158       1.07641469 
O       9.41399002       7.49451997       3.55727004      -2.55299875      -0.54801835      -2.59502349 
O       7.18109997       8.84604001       1.46175004      -0.33018640      -0.84624328      -0.38900036 
O       5.36827004       6.84747005       6.21346005       0.66004074       2.46222079       1.37057154 
O       8.95981002       7.24900001       5.93411998       2.85024719       0.82000678       2.63034778 
O       5.36231003       7.05626004       9.03966996       0.80030917       2.42822980       0.42029157 
O       7.29629000       2.13961997       1.68069000       2.53104577       0.12293494      -0.72886505 
O       7.03574005       1.44011997       9.48924996       0.60493844       1.42721890      -0.90579948 
O       9.10935999       7.01092998       0.69684796       0.16676576       0.42073362       1.91631112 
O       3.51967997       8.83616999       6.90429003       0.40372499      -0.73649513       0.13825988 
O       7.65396997       1.82582999       4.47157999      -0.54289759      -1.47086813      -1.39013629 
O       7.06289998       8.80046004       3.98144003       2.92059569       0.46659298       2.87518689 
O       8.86252005      10.79399995       1.10309997       0.43265325       1.00167880      -0.31545970 
O       3.36976001       8.97122999       9.56393003      -0.09808503      -0.36519338       1.95435824 
O       7.49629003       9.02603005       9.46197997      -0.67082583      -2.00194659      -2.85292294 
O       9.47992004       0.10735796       9.16701004      -3.65016329      -0.45046470      -4.00132824 
O       8.91633001      10.72779996       3.77326000      -0.15314851       0.11690668       0.00465130 
O       5.22167996      10.62769998       6.35940996       3.04801942      -0.66027631       0.74722534 
O       1.51197001       3.18989005       6.18481997       1.24932960      -0.25145915      -0.63744206 
O       6.96513999       1.45887997       6.77722004       1.67989215      -0.72598721      -0.81338148 
O       8.88245005       3.72535996       5.95853000      -0.41968667      -1.63514729       0.99763633 
O       3.76624995       9.81138997       1.92500999      -2.10360989      -1.32027657      -0.13713109 
O       7.37371998       5.28076002       3.72773998       0.32486233       3.90613198       0.77939126 
O       9.17986999       3.75644995       3.16991995      -0.09360480      -2.46796925       2.08165477 
O       8.93579996       4.13739002       0.83255005       0.58019172      -1.77995555      -2.79817921 
O       7.05617995       5.76053005       1.33361001      -0.10879325       0.98663626      -0.54906984 
O       9.08840997       3.45855003       8.87342997      -2.03330522      -1.61992956      -0.61054514 
O       4.82373001       7.68022996       1.25937997       1.60513277      -1.21199433      -0.60859783 
O       3.56827998       5.42991996       1.71653001      -1.05114286      -0.41968496      -0.22690753 
O       3.93853995       9.14776996       4.44146002      -0.30169843      -5.16605427      -2.00572583 
O       1.93861998       7.18357999       3.48795000      -1.40919360       1.49341705      -0.01089164 
O       0.38422898       9.35090003       4.08799004      -0.21095849      -1.66321897       0.42113984 
O      10.70749997       4.72169003       7.14056997       1.88432941       1.26343021      -0.48975788 
O       7.16613001       5.22308004       6.72121995      -0.05621509       0.87824269      -0.31391014 
O       9.12004996      10.90790001       6.25706003      -0.33077373      -1.03671654       0.48481371 
O       5.76687998       3.41156999       8.74858996      -1.24422942       0.87125053      -0.39428215 
O       5.24003996       3.61591005       5.98043995       2.79228427      -0.55350268      -0.26646346 
O       1.65345005       7.27031005       8.81947003       0.13709910      -0.21097515      -0.11384932 
O       1.82881005       7.25781999       0.89433704      -0.87275583       1.75307475       0.77523304 
O       1.76768997       3.41335002       3.67911998      -1.13546101       1.61888701      -0.33191895 
O      10.63730003       1.70470001       6.85203999       1.09553551      -0.29949414      -1.37493652 
O       1.86659005      10.80279999       6.52271005      -2.64425889       0.16132847      -1.17796170 
O       1.61231004       0.10240504       9.08546996      -0.60361787       0.13775965       0.23487552 
O      10.86149998       1.96388002       1.53687005      -4.04963705       0.04615648      -0.96790429 
O      10.79022305       2.02743005       9.50046003       2.33433562      -0.22250783       0.32124431 
O       1.69736995       0.20510995       1.25930004      -1.05630529      -2.39211817      -2.74680424 
O       1.56635001       0.37016903       3.66829001       0.50263280      -0.98903367       2.83031139 
O      10.50660001       1.88310000       4.28666001      -0.10089854       1.72647794      -0.72682619 
O      10.58779998       5.49372001       4.23855999       1.45049568      -0.34711374      -1.07948639 
O       5.19873002       6.95669000       3.73259003       0.47251098      -0.33519776       0.10881424 
O      10.79020005       9.00575997       1.57348003      -2.02377179      -0.70969282      -0.42307923 
O       1.89521995       3.45011997       0.91477401      -0.34565345       0.04087302       0.54407104 
O       3.43768996       5.09030001       7.02305999       0.94423124       1.45087437       1.33658697 
O       3.57390999       1.48151997       6.74913002       0.31738117       1.46212045       0.98493666 
O       2.16161005       3.42453005       8.77385998      -1.40460778      -1.71161210      -0.24201825 
O       3.40439999       5.23074996       9.69862002       2.09055971       1.26315282      -0.69646740 
O       9.05805996       6.97285998       8.97306002       0.93413458       1.70207814      -2.74628897 
O       5.46557995       3.65674997       0.84578996       0.18372114       0.13007163      -0.79587066 
O       5.50607004       3.60745995       3.37866002       0.29750314      -0.58578381       0.57274634 
O       3.29011997       5.29901002       4.45228001      -0.04850835      -0.59946309      -0.96004273 
O      10.78780000       9.15748998       9.76982002       0.64322975      -1.42613855      -1.77015303 
O       5.06279003      10.50049999       9.04282000       3.46145972      -0.22978201      -1.96731745 
O       3.96006998       1.69483000       9.65569998       1.15988944      -3.50043560      -3.01069946 
O       3.71507997       1.68761004       1.44880997       0.07919779       1.04542250       0.14920812 
O       5.66795000       0.07759377       1.08021002       3.34309249       0.48424126      -1.58646980 
O       5.60493999      10.82929203       3.54319001       2.30502578       1.59852237       1.88837289 
O       3.80712000       1.71054005       4.04905995       0.53806992      -2.09736827      -0.23583187 
O       0.26210605       8.61204005       6.87464997      -3.42354786       1.30672223       0.79145131 
O       1.51032002       6.65220996       6.00993003       0.68929031       0.02272917       0.09408547 
O       0.12343997       5.31079001       1.47478002      -0.52178323       0.78144874       1.51383290 
O       0.50226497       5.40982002       9.59449004      -2.58044292      -1.82745128       2.21211745 
O       7.30597004       9.24734000       6.74053002       0.01327525      -1.42146224       0.31892368 
108
Lattice="10.9564041 0.0 0.0 0.0 10.9564041 0.0 0.0 0.0 10.62939204" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005482098312990188 -0.002881370543089628 0.013719116359983276 -0.002881370543089628 -0.012087801056746016 0.004779921988985248 0.013719116359983276 0.004779921988985248 0.0016300966111313763" pbc="T T T" energy=-1063.76313635 free_energy=-1063.76313635 config_type=crystal 
Hf       1.55944001       1.55131003       2.68048001       0.79833100       1.48954146      -1.06247961 
Hf       0.00189590       7.19434000      10.41750000       0.58175880      -1.28401225       0.80338410 
Hf       1.76399004       9.07214999       7.67741004       2.06989197       1.59127035      -0.00279214 
Hf       6.99361999       3.80653998      10.59610004       3.75962595      -0.91174162      -1.25369572 
Hf       9.23217003       5.56881995       2.30401001       2.40031100       1.09660254       0.13987947 
Hf       3.45195996       7.30139995       5.04561998       2.11739702      -2.92886173       2.34049843 
Hf       3.33120997       0.07424268       0.16990796       0.05194375      -0.46068311      -2.94635394 
Hf       7.34425001      10.78420000       5.04608002      -2.96185958       0.52582803      -2.52502529 
Hf       5.38428003       1.51679001       2.33666000       0.76496604      -0.70036061      -0.09066656 
Hf       5.47150002       1.64470000       7.72828996       2.76841119      -0.70976362       1.62022271 
Hf       1.54833996       9.10124001       2.56029996       0.37969153      -0.65153743      -1.45270625 
Hf       3.63842995      10.79479999       4.79003996       3.46024845      -0.95690040       2.05845788 
Hf       3.55329004       3.58834998      10.57799999      -2.12642847      -0.36596182      -0.39176413 
Hf       7.27353004       0.02679586      10.16850001      -1.34865723      -4.09129652       1.94215242 
Hf       8.99951999       2.06805995       2.53994000      -0.80659605      -3.01876780      -4.08345350 
Hf       5.75959001       5.20449004       7.66214995      -0.75635288       2.02843466      -0.85564880 
Hf       3.33371001       3.38436004       5.21015000       1.87023853      -0.93265041      -0.92863983 
Hf      10.55109998      10.65279995       5.31530997       3.00396743       1.27761885      -2.27784086 
Hf       9.19592000       1.97274000       7.96657999      -0.69840178      -0.95840999       4.21056283 
Hf       5.24593001       8.71353998       2.39481000       2.60019568       1.31061784       0.78508568 
Hf       3.47909995       7.52429003      10.51466008       0.05590194      -1.47327654       0.74431814 
Hf       5.44359997       5.25228001       2.77420000       0.94460200      -1.28163819      -3.01219538 
Hf       9.23450998       5.38071996       7.85749001      -0.31984170       0.62980111       1.25895750 
Hf      10.87710000       7.20394997       5.28418998      -0.11047833      -1.75647860      -1.45232799 
Hf       5.14201005       8.80377002       7.99661004       3.11155226       0.96727985      -3.44146245 
Hf       7.29573999       3.40331002       5.03337003       1.78895492       0.78771390      -0.15678863 
Hf       7.30661005       7.30944995       5.16786000      -1.13257488       0.10900883       2.31840172 
Hf      10.69860002      10.65060001      10.35476299      -0.41837652       3.32435018       2.06199372 
Hf      10.84818605       3.25901998       5.47174996       1.47194670       1.06848202      -2.06963626 
Hf      10.94929778       3.53970004      10.44450004       1.06281942      -0.59867983       0.70939014 
Hf       1.85273002       5.48776995       7.99919001      -1.32551223      -0.04939766       0.85952765 
Hf       8.90780995       8.95713996       7.96886000      -1.26706687      -0.39456091      -1.51648090 
Hf       2.05120999       1.70540002       7.81354002       0.05158719      -4.09353635       0.07471918 
Hf       7.11747995       7.10310000      10.52530000      -1.35210904       3.08416701       0.50154614 
Hf       8.90267995       9.01484997       2.25168003      -1.47653560       2.10907596       1.27836795 
Hf       1.89689002       5.10627004       2.75484005      -3.64434249       2.69450296      -0.81893083 
O       7.33632996       5.64516001       9.27886996       0.19720190      -1.13231988      -3.38993142 
O       9.43001003       7.30754003       3.76522998      -1.24071659       1.04825242      -2.78846331 
O       6.97883005       9.08965997       1.30181002       1.17084055      -1.99404391       0.46244726 
O       5.56592998       6.79407002       6.24471000      -1.85205399      -1.03371282       1.06590151 
O       9.10962002       7.49158001       6.12822005       0.68104570       0.91849122       1.49297518 
O       5.35409996       7.22680996       9.17732004      -0.85039369      -2.02781214       0.75869791 
O       7.07528004       2.35391998       1.26589001       1.22601640      -0.83202132       3.28257639 
O       7.25031999       1.74215996       9.54138001      -0.05815001       3.45713596      -2.93836894 
O       9.11723998       7.38686999       0.98430201      -0.22144543      -1.84269879      -0.59221495 
O       3.84549000       9.15523996       6.50175995      -0.84924647      -2.48832289       0.89027494 
O       7.32149006       1.55767997       3.81992001      -0.46927093      -1.20339413       0.50382130 
O       7.00568003       9.03377004       3.84940999       1.31290009      -0.47675965       1.34042566 
O       8.65050001       0.10725498       0.93807903       1.94575662      -0.91908090       0.06457095 
O       3.72622998       9.12783000       9.33739996      -2.58881004      -0.04264993       0.57602751 
O       7.43024004       8.88276997       9.38463996       0.00618477       0.43009713       0.30473130 
O       8.98615000      10.84970001       8.76614997       0.82963171       0.14308102      -0.09613007 
O       9.42443005      10.70226308       3.46396995      -1.32024256       0.20014957       2.19743592 
O       5.55558001       0.08601993       5.72820998       0.21251907       0.80844439      -0.04623520 
O       2.02979997       3.41324002       6.60915996      -2.69140652       0.76815783      -1.61853238 
O       7.58622001       1.61579000       6.84419995      -1.02796129       0.31198647      -1.54687897 
O       9.33180000       3.60436003       6.81471997       0.57616710      -0.28871009      -1.32129606 
O       3.73538000       9.30123996       1.14581998      -0.41451350      -1.50888023       0.93841040 
O       7.69218005       5.04750997       3.25707999      -1.94528676      -1.14439677       4.20100336 
O       9.29878003       2.91967001       4.22220998       0.29039596       0.60577263       1.85697660 
O       9.62124004       3.74199997       1.28597999      -2.72069428      -0.98880708       2.42455080 
O       7.32110001       5.51137004       1.12061003       0.58004821       0.07908392      -0.02077281 
O       9.05657995       3.76237000       9.38094996      -0.69296807      -0.48175202      -2.22475250 
O       5.26225998       7.05017005       1.14396004      -0.80562137       0.02522277      -0.73108302 
O       3.50286998       5.25930997       1.80853004       1.40594360      -0.28369841       0.26436428 
O       3.98672002       8.70880999       4.00986002      -0.91369838       3.79754400      -1.73823582 
O       1.83926996       7.27177000       3.65160997      -0.05546879      -1.76708909       0.28816157 
O       0.44249585       9.23986997       4.14139003      -1.23743482      -0.55797448       2.60176572 
O       0.01129594       5.68160002       6.80505998       0.51531841      -0.42731259       0.39736484 
O       7.72776995       5.45469005       6.11520000      -0.48514239      -1.60494698       1.23314368 
O       8.78973005      10.33509995       6.17059997       1.69299954      -0.36077041       1.24029926 
O       5.69870998       3.75930999       9.16319996      -2.88615039      -0.72175953      -3.11949198 
O       5.87923997       3.54987997       6.40204998      -1.93135299      -0.09525764       1.02236318 
O       1.43558005       7.38265002       8.90147998       1.94040336       0.26933281      -0.49840542 
O       1.75695001       7.74115002       1.07968996       0.61904093      -1.46058923      -2.82550563 
O       1.55924005       3.44969998       3.71776996       1.60338627      -0.80071081       1.82111002 
O       0.02382525       1.60452999       6.94881995      -0.96694877      -0.33927670      -0.00246593 
O       2.28509996      10.84069998       6.16086004      -3.95212104      -0.24495973       1.54386720 
O       1.67633005      10.73609996       9.05262005      -0.04436478       0.34147611      -1.62768386 
O      10.78370006       1.39149005       1.93924999      -1.83816913       1.12810675       0.33001258 
O      10.57849997       1.68823002       9.75193998      -0.37734347      -0.31442582      -0.80637062 
O       1.37400999      10.95640005       0.84996700       3.37578305      -0.07010410       1.12960195 
O       2.41571005      10.78420000       3.25717002      -1.45477043      -0.64168058      -1.46150075 
O       0.64135097       1.43279000       4.53620998      -1.38059405      -0.33587244       0.67501155 
O      10.56010001       5.15808003       4.32920002       1.11794857       0.46882911       0.09371045 
O       5.38453005       6.79027001       3.89382001       1.38696195       0.91936089      -1.17795959 
O      10.76860005       9.20931004       1.50609004      -1.11346367       0.11250962      -0.37512811 
O       1.65346995       3.30691995       1.01442995       1.44426120      -0.01904632       0.80015544 
O       3.66666001       5.15491998       7.51520998       2.83004828      -0.21288632      -0.81288399 
O       3.80837003       1.59056003       6.83797995      -0.91817881       2.36354456      -1.99132518 
O       1.76268996       3.10079997       8.99834999      -0.71932711       3.40861596       2.10327436 
O       2.70366002       5.44359000       9.88399997       1.74650617       0.32994590       1.00280255 
O       9.40380998       7.21195998       8.82446005      -0.18427892      -1.89006130       0.07788714 
O       5.28847997       4.04325999       0.86649900      -2.03558423      -0.39435930       1.66945057 
O       5.85264998       3.44584004       3.73148996      -2.82126433       1.20994289      -0.74992697 
O       3.43555000       5.25926001       4.57494996      -0.19808129      -1.37548554      -0.84784568 
O      10.71440003       8.94686997       9.51690998      -0.38313569       0.75769965      -0.93771754 
O       5.48329996      10.74019995       8.35428005       1.40281288       0.56598760       1.11727854 
O       3.79276000       1.65962000       9.42023003       0.30752570       0.47554204      -1.02304044 
O       3.55885995       1.72145005       1.17688002       0.46669587       1.26697291       2.94213911 
O       5.63420996       0.19340398       0.83866201      -0.80036321       0.93792781      -1.99459100 
O       5.01703002      10.62322511       3.07437998       0.95990867       2.11140493       0.53081248 
O       3.74313998       1.75817000       3.94093001      -0.17467506       1.84662895       0.84823554 
O       0.03169644       9.22808997       6.77451004      -0.18404517      -0.66942974       0.23135548 
O       2.03459997       7.20239997       6.38827004      -2.06068781       0.38171641       1.32226514 
O       0.32929593       5.41474004       1.46012004      -0.39027734       2.31251889       0.26559615 
O       0.03679884       5.24490000       9.42524997       0.20125761       1.62715151      -1.05857831 
O       6.95425999       8.53207005       6.91036005       1.84098429       1.08864480      -0.91811592 
108
Lattice="10.95695207 0.0 0.0 0.0 10.95695207 0.0 0.0 0.0 10.62992365" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017309237545953336 -0.0021480751156395853 0.00979614700167269 -0.0021480751156395853 -0.020925744886515323 0.01564273130354743 0.00979614700167269 0.01564273130354743 -0.030479483676160758" pbc="T T T" energy=-1061.78912669 free_energy=-1061.78912669 config_type=crystal 
Hf       1.99469001       2.04798999       2.65057997      -5.02365287      -5.24405588      -0.20784171 
Hf      10.82000003       6.55581999       0.09513877      -0.64072869       2.73170230      -3.83287374 
Hf       1.43301999       9.08202999       7.86881002       3.00970557      -0.85044104       2.04910352 
Hf       7.21967005       3.64427996      10.46480001       2.60405063      -2.15839140      -1.06421109 
Hf       9.18601004       5.40459999       2.76449002      -0.64411756       1.69224934      -1.76532160 
Hf       3.41403002       7.42857004       5.18588000       0.59668844      -1.22271737      -1.12574610 
Hf       3.71468002      10.86049999      10.40219996      -3.34946791      -2.65734030       0.31532566 
Hf       6.99441002      10.74479995       5.06233999       2.26184419       1.42883719       0.62513323 
Hf       5.40944998       1.45010998       2.21572999      -1.13147878       1.23913436       1.63134565 
Hf       5.49418995       1.50933998       7.62882004      -1.09214218       2.80649179       0.08258975 
Hf       1.86056004       9.30748999       2.34507001      -1.60065580      -0.37345146       1.23746118 
Hf       3.28694997      10.88850005       5.34927001       1.42275368       0.95397731       1.44553434 
Hf       3.45823003       3.55676996      10.53530000       2.28221378       2.29745405      -4.37961671 
Hf       7.00159000      10.78189997      10.19510003       2.73759165       0.51190243      -1.12278413 
Hf       8.89716999       1.71969001       2.54220003      -0.12422168       0.17852821      -0.26447117 
Hf       5.56670996       5.48200998       8.37374999      -1.59712433      -3.48445274      -2.71299451 
Hf       3.71355003       3.45274005       5.02340003      -0.36758094       1.80706383       1.81475181 
Hf       0.00145443      10.89470004       4.82184998      -2.91240653       1.38529053       0.34054934 
Hf       8.89604000       1.63823997       7.66303000       0.35271035       0.42891078      -0.86502820 
Hf       5.53399995       8.69256995       2.45193996       0.30563533       5.35250999      -1.01691004 
Hf       3.29895003       7.35980005      10.52570001       1.55547138      -2.48781108      -0.81333845 
Hf       5.47167001       5.11840999       2.38171996      -0.42997506       1.79054511       1.59776529 
Hf       9.09908996       5.32933997       7.92234997      -1.85832429      -0.41560618      -0.39201037 
Hf      10.77460001       7.17661000       5.06591005      -0.32876943       1.24643050       0.04567708 
Hf       5.47389000       8.70043003       7.80114003       1.14402488       4.65244384      -2.14618996 
Hf       7.22471003       3.65110997       4.99318000      -1.44170296      -0.34353382       2.87604099 
Hf       7.20158001       7.40814004       5.15349998       0.20918450      -5.17520186       3.25674942 
Hf       0.01491537      10.83639996      10.53890004      -3.15582749      -4.81482417      -0.44639204 
Hf      10.70080001       3.59908998       5.35513996       3.00556798       0.39865161       1.62425105 
Hf       0.14927499       3.32491001       0.44205600      -3.24273062       0.19429661      -4.07957502 
Hf       1.88754000       5.31118003       7.47319998       1.27209315      -0.14248320      -0.41503087 
Hf       9.24631995       8.86953995       7.89151001      -7.25934359      -0.55878870       2.79027347 
Hf       1.68048001       1.69187995       8.13579001       1.09195501       2.29502429      -2.93766690 
Hf       7.35554995       7.38791000       0.33779601       2.58780842      -1.43915864      -2.98700671 
Hf       9.30321995       9.19542995       2.24118004       0.80064330      -0.14359692       2.07802442 
Hf       1.97575004       5.59801003       2.55457996       0.51792347      -0.15536809       1.72868063 
O       7.13637004       5.48328000       9.65807002      -0.73864042       0.70457800       0.33930721 
O       9.19706002       7.36887996       3.74891002      -2.23069131      -2.49521367       0.02090641 
O       7.44507998       9.11654000       1.40993001      -1.75358750      -1.17254711      -0.15239435 
O       5.32937997       7.52545996       6.14025996       0.54258815      -0.48176378       0.13094507 
O       8.57887996       6.94960003       6.54532000       1.80712585      -0.08551516      -0.42243414 
O       5.04088999       7.34855997       8.98059001       0.13654636      -0.21980594       0.39347151 
O       7.09487004       1.82283996       1.31231999       1.49916377      -0.43907020      -0.24100049 
O       6.89691002       1.80379996       9.27780002      -0.35950966      -0.54179467       1.50797556 
O       9.40148003       7.21420998       1.25929995      -3.00415161      -0.32673314      -0.37068997 
O       3.19412005       8.97059001       6.61972000      -1.01581947       0.35770525       2.64370390 
O       7.56890997       1.90812000       4.20602002      -1.52575627      -4.38960266      -1.17318467 
O       7.18527004       8.91264000       4.21114003      -1.09127345       3.71050074      -5.02956182 
O       9.10448999      10.81919995       0.87943495      -0.12806113       0.91458687      -0.86121475 
O       3.19890002       9.03245997       9.58034997       0.00386614       2.16319830      -1.14807672 
O       7.11922997       8.80917997       9.35237999      -0.06578824      -0.28696065       0.43632337 
O       8.35664996      10.88880005       8.57574001       1.92717531      -1.63075184       0.95204500 
O       9.04135000      10.82770003       3.40500000      -0.29498907       1.39031666       0.57011767 
O       5.25495005      10.39150004       6.00890004      -0.72026125       0.65270697      -0.38033668 
O       1.83695000       3.74987002       5.92165005      -1.03458865       0.39051556       1.44156372 
O       7.07752003       1.06836999       6.61906998       1.34664037       0.83802494       1.33908804 
O       8.97002003       3.16540001       6.07836000      -1.74963093       1.15549166       0.04710693 
O       3.70957002       8.94726003       1.49025003      -1.55345705      -0.41464168       0.00179988 
O       6.89855005       5.44474002       4.01816004       0.66536668       0.23977777       1.00806165 
O       8.58555000       3.62267997       3.34775999       1.77475398       2.20511160       0.35370159 
O       9.17693998       3.51464004       0.94671503      -2.92672703      -0.11754584      -0.36500642 
O       7.28950999       5.64155000       1.48245000       0.99651168      -1.98377418       1.18744955 
O       8.49763996       3.54030999       8.58414999       0.36365325      -1.82294793       1.57777113 
O       5.61872995       7.28414996       1.05794995      -1.98904389      -0.21760167      -1.90538939 
O       3.65658998       5.45432998       1.48583000      -0.18148940       0.34667907       0.16488082 
O       3.21922001       9.23767996       4.22656001      -0.19981505      -0.19436001      -2.17829842 
O       1.57427000       7.37700005       3.38155995       0.37314720       0.16370774       0.92962556 
O      10.70719996       9.09418004       3.81670002       2.04366871       0.43465515       3.34618979 
O      10.71259999       5.57630003       6.70333998       0.70534759      -1.65598127       0.96560631 
O       7.10120995       4.92581000       7.10926998      -0.54395608       0.96121549      -1.42136376 
O       9.29288996       0.25878995       6.02337002       1.38619815      -0.50085478       0.02411602 
O       5.02353002       3.50252998       8.57390997       0.41509976      -0.21643481       1.52161196 
O       5.53014004       2.82528997       5.95838005      -0.26970265       1.71642378      -1.30641364 
O       1.88388005       7.02716002       8.88818005      -1.42628295       0.12227291      -1.27581884 
O       1.59012000       7.04594999       0.91219999       2.09348568       0.13798807      -0.03580730 
O       2.14526997       3.66807999       3.35925997       0.38326475       5.99680986       3.84740939 
O       0.10029402       2.16209996       7.16748996      -3.04704145       1.32834432      -0.18325732 
O       1.50730999       0.32241796       6.26366997      -0.80405816      -2.62079341      -1.38661645 
O       1.64131997      10.88930001       8.80276999      -1.40727518      -3.46943013      -0.01182607 
O      10.88799997       2.02769004       1.95599003       0.64419946      -0.42282710      -0.89452656 
O      10.66760000       1.52802005       9.78537005       0.48283774       4.98287128      -1.43325515 
O       1.64833998      10.71570004       0.70427804       5.24641082      -0.10289549       1.25699764 
O       1.26863996       0.13954095       3.15461002       0.79070579      -1.13417462       1.83485031 
O      10.80510000       2.02128001       4.35923995       0.21048516      -2.01502028      -0.92055285 
O      10.83060000       5.41271000       4.17518995      -0.87588611      -2.08037325      -0.85720623 
O       5.15491001       7.18697998       3.34961002      -0.64967839      -2.60369512       3.44093768 
O       0.07426195       9.07079999       1.40329002       0.61669779       0.31772786      -1.17570053 
O       1.98065996       3.51938999       1.14200002       0.00131085      -0.12492715      -0.64759740 
O       3.76163001       5.21226001       6.73130997      -0.46219347       0.80392675       1.19556254 
O       3.62653002       1.46929002       6.77224995      -1.24216096       0.18771791       1.35495429 
O       1.78222002       3.68227001       9.18276999       0.44093370      -0.07990755      -1.00981975 
O       3.88553999       5.53435003       9.65784998      -1.24884522      -2.34224506       1.04267168 
O       9.26301002       6.90788001       9.05788997       0.19829465       2.91573614       0.98646935 
O       5.34142001       3.65691004       0.89548103       0.36967995      -0.73844241      -1.04361807 
O       5.16354003       3.26789003       3.45641003       0.79587939       1.17485026      -1.24942853 
O       3.47919003       5.59639004       4.18984000      -0.07247993      -1.09092226      -0.40208933 
O      10.70830004       9.11113001       9.31128003       0.76783803       0.88340400      -0.02690012 
O       5.36120005      10.69709995       8.77297995      -0.80616978      -0.79777264       0.61834207 
O       3.18031998       1.52250005       9.53396003       2.29444866       3.17836066       1.79323058 
O       3.38681996       1.22610003       1.70990996       4.85932541      -0.45766482      -3.69196353 
O       5.35761998      10.62320002       0.78342303       1.41585397       1.67914793      -0.50835185 
O       5.67294999      10.77599998       3.14689004       0.59153044      -0.35701377       2.77176208 
O       3.27282000       1.66617001       4.15917001       0.91983952      -1.86028855       1.65065800 
O      10.71139998       8.73586996       6.83633000       4.02469181      -0.37983634      -4.39640473 
O       1.60421995       6.89972004       5.98197997       1.63084794       0.32274595       0.94691617 
O       0.01464791       5.31542004       1.61061999       0.36826116      -2.34540901       1.84371176 
O      10.44519995       4.88441004       9.81714002       0.66339856      -0.50445778      -1.11880853 
O       7.62748003       9.10441000       6.52577997      -1.93567746       0.62067704       0.77282468 
108
Lattice="10.95764814 0.0 0.0 0.0 10.95764814 0.0 0.0 0.0 10.63059895" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.004539655319878701 0.004150911393700946 0.004848328011503087 0.004150911393700946 -0.011703951116598395 -0.004148692349961421 0.004848328011503087 -0.004148692349961421 0.010924549467748668" pbc="T T T" energy=-1062.05778705 free_energy=-1062.05778705 config_type=crystal 
Hf       1.78577000       1.52268005       2.59524004      -0.75140587       2.30250534      -1.17609673 
Hf      10.32780000       6.64521005      10.58090005       3.56712257       4.38121909      -0.71469456 
Hf       1.83218999       9.13908004       7.96557998       1.17659295      -0.70320782      -1.94971779 
Hf       7.28510996       3.45470002      10.17170002      -1.54841740      -0.20987934       0.77588080 
Hf       8.67787997       4.88375003       2.10086000       0.66642154       0.60522326       1.26325062 
Hf       3.65105998       7.31984001       5.06378004      -2.98021057       0.90413770       0.63241024 
Hf       3.55738995      10.67960001      10.29920002      -3.04288775       3.04924913       1.66740057 
Hf       7.26901997      10.89272451       4.98477002      -2.13169168       2.16955044       2.22074504 
Hf       5.40350996       1.59291002       2.60189001      -1.94192168       1.68344617       1.94856316 
Hf       5.44846996       1.53156001       7.98184001      -3.38337780      -0.11945090      -1.55920879 
Hf       1.72035996       9.10044994       2.59208998      -1.87900878       0.68826543       0.38721258 
Hf       3.74077003       0.03345184       5.20792001      -2.19552113      -3.38381756       3.68953307 
Hf       3.76823997       3.54083996      10.54770005       1.08485814      -2.63772736       0.99757252 
Hf       6.92250999      10.86650001       0.33888904       0.50502104      -1.73557197      -0.96546720 
Hf       9.20462003       1.57989004       2.51642000       1.25853974       1.89633146      -0.51034463 
Hf       5.25453997       5.19650005       7.86657997       0.59732767      -0.99018158      -1.18661218 
Hf       3.74945999       3.64840998       5.01349996      -0.88035049      -1.07781504       0.30795634 
Hf      10.65990002       0.23319300       5.54273997       2.21027415      -2.76371901      -2.37787889 
Hf       9.09915004       1.60497998       8.04601002      -3.07172679      -0.82516456       0.10128546 
Hf       5.05265999       9.03945003       2.48922002       1.69229703       3.37403716      -2.05829565 
Hf       3.45212004       7.08798001      10.36310002      -0.29630827       1.43980920       0.33202076 
Hf       5.53730000       5.48531998       2.67650002      -2.31036977       0.09186845       0.95377794 
Hf       9.05544995       5.24151998       7.63802996       0.68385177       1.23575373      -1.49894000 
Hf      10.91560003       7.13468995       4.79090999      -0.36706020       0.43351592       1.79006363 
Hf       5.61135003       9.02048004       7.81122995      -1.90836901       1.33434901      -0.45857557 
Hf       7.18154003       3.78454002       5.40814000      -0.67463616      -2.20158492      -2.86596363 
Hf       7.36926996       7.46378001       5.42565997       2.17741896      -1.72059435      -1.59022018 
Hf      10.74549996      10.65239995       0.07850102       3.21389043      -1.73081206      -1.88937718 
Hf       0.09942060       3.91686995       4.97555999       0.66392602      -1.25600061      -2.06071844 
Hf       0.24397302       3.50457003      10.28459996      -1.73897001      -0.11906695       1.53947345 
Hf       1.84749005       5.63360994       7.75340002      -1.12287792      -0.24193624      -2.67231256 
Hf       9.33322995       8.60802003       7.99525997       1.35563381       1.55078953      -0.54151980 
Hf       1.57003999       1.98073998       7.78372997       3.60612455      -3.23629323      -1.73622833 
Hf       6.98939000       7.12184002      10.55640003       0.51926381       1.47162643      -1.25528753 
Hf       9.03845004       9.04450995       2.79001005       0.83278295      -1.51619142       0.07521227 
Hf       2.20890999       5.43559001       2.24863999      -2.02007983      -0.02780603       2.96861754 
O       6.83005001       5.13746002       9.07523995       1.40804506       1.41488924       1.74929946 
O       8.99446001       7.09070003       3.70028995      -1.13924349       1.86948533       0.30453733 
O       6.96877000       9.09195996       1.60788000       1.19072698       0.02003977       0.24797092 
O       5.41049996       7.64408997       5.83527003       3.22810755      -0.56410378       1.46744559 
O       9.40680004       6.89007996       6.30692004      -1.55535589       2.18682797       0.66303841 
O       5.16142001       7.40392999       8.68444000       0.93371012      -3.81275716       0.36599185 
O       7.25552004       1.02404997       2.08350002      -0.28737798      -0.13355025      -0.70972632 
O       7.72488005       1.55506998       9.65997998      -1.36155943      -2.13359030       1.68600309 
O       8.74705998       6.86417005       1.13523996      -1.97152085       0.91755163      -0.85152392 
O       3.79699996       9.14478996       6.70594000       0.72604975       0.98648752       3.01682025 
O       6.81952004       1.74361998       4.53859996       0.75137742       2.27503118      -1.44050590 
O       7.37598996       9.10741999       4.16643002       0.70273347      -1.93392029      -0.17747129 
O       9.10691003      10.71890005       1.11103005      -1.92420054       0.47532510       1.13824958 
O       3.53524005       9.05223005       9.33244995      -0.94119283      -2.21679937      -0.15070054 
O       6.69870003       9.17994001       9.80107003       2.22782068      -2.83414814      -0.55130739 
O       9.54794002      10.27539998       9.01628998      -1.08090479       2.16188903      -0.18215667 
O       9.16458999       0.12926201       4.05101000      -0.37814235      -1.64451633      -1.66709776 
O       5.40276002       0.47985185       6.04372002       3.24711495      -1.65805516       3.39842982 
O       1.83249999       3.30531999       6.18813001      -0.90905439       0.53467425      -1.87015543 
O       7.08267004       2.19247001       7.36495996       3.21753469       2.79900173      -0.91906023 
O       9.12988000       3.94798003       5.80663003       0.38275772       0.14000930       1.92174926 
O       3.37707999       8.88558997       1.44319002      -0.02114132      -0.96109309      -0.91198007 
O       6.87636996       5.51939005       4.17150996       0.78652647       0.21603877      -0.21485870 
O       8.78123996       3.41175996       3.34488001      -1.43964099       0.58127816       1.23165224 
O       8.83865003       3.19873002       0.97641297      -1.73270128      -0.80674716      -1.66335275 
O       6.68770995       5.00769999       1.07801003       3.76355272       1.27489849       0.78580352 
O       8.97069002       3.61031002       8.79369003       0.41327028       0.16369506      -0.01544302 
O       5.32836000       7.12892995       0.82445802      -0.95353424       0.65989780      -0.10745785 
O       3.96081001       5.24520997       1.38882004      -0.61867323      -0.67019930      -2.13601804 
O       3.36939999       9.18482000       4.41377004      -1.45193052      -0.71822619      -3.41511106 
O       2.04290995       7.21611995       3.39942997      -1.12171570       0.56278220       1.04105232 
O      10.78920005       8.91672996       3.96321996      -0.01864023       0.79003961       0.06767679 
O       0.23886205       5.46147998       6.27226004       1.75533651      -0.79936416       1.32061604 
O       7.26080996       5.63647997       6.65147997      -1.40919248      -0.67632848       0.63739730 
O       8.38397996       0.49555186       6.52027999       2.98695859      -1.02650406      -0.25875591 
O       5.19721996       3.31195003       8.92483005       0.63867178       0.85328007       0.54314644 
O       5.35638002       3.59031998       6.22868001      -0.21689530       2.08362363       0.64876109 
O       2.05099998       7.20470997       8.83080995       1.08303984      -0.81188967       0.57622269 
O       1.69046005       6.90139000       0.86928799       0.15847415      -0.77033326      -1.21267026 
O       1.65089001       3.63196003       3.24553004       0.71026351      -0.28203741       1.53214594 
O      10.67749998       1.80463995       6.65318002       0.66744753       0.96791888       1.61169927 
O       1.90075003       0.02630011       6.18285000      -2.93775155       0.57419944       1.41223369 
O       1.63734997      10.83620003       8.94842998      -0.23902291       1.15886987      -0.31049891 
O       0.15285185       1.60628000       1.01520997      -0.34757893       1.18400875       2.28324364 
O      10.65958718       1.84481003       9.31153999       1.82833541      -0.92202182      -0.90589567 
O       1.79914995      10.70119995       0.94809496      -0.19842820      -0.09247819       1.13904296 
O       1.41416996       0.01615190       3.72310003       0.00717836      -1.61407430      -0.79827114 
O      10.70340002       2.06044000       3.88135000       1.00302161      -0.83893964       0.69219041 
O      10.85049998       5.61000005       3.62646002       0.78038658      -2.97242470      -0.13836653 
O       4.92027001       7.46501000       3.35883001       1.18473817      -5.34202892       1.62356132 
O      10.78219998       8.94064996       1.55232003      -0.01932607       0.32793885      -0.23092533 
O       1.75613997       4.15486996       0.77256804       0.87982142      -2.03589634      -2.47047741 
O       3.53256003       5.38129004       6.52629000       0.18119935       0.57478794       0.20934223 
O       3.65900000       1.85759004       7.12424004      -1.79645220      -0.10183603       0.10185146 
O       1.62517000       3.70809005       8.74988005      -0.40905225       0.91900759       0.76956799 
O       3.82689999       5.21383998       9.27411996      -2.02249817       1.73200576       1.06860746 
O       8.77919000       6.87121998       9.03037000      -1.31234532       1.32350969       0.97299005 
O       5.59254002       3.00097000       0.84376403       0.26965350      -1.77470445      -0.72114379 
O       5.31186995       3.50691004       3.59719005       0.16690258       0.88357200      -0.93550061 
O       3.66144005       5.41536000       3.79851998       0.27462153      -0.87140621       2.45559399 
O       0.22915182       8.55612001       9.67644997      -1.51796111      -0.52309200      -1.29303941 
O       5.31607001      10.76829998       9.09938002       0.23846836       2.00632023      -1.08546789 
O       3.35458996       1.72711995       9.75916995      -0.53137534       0.08811893      -0.02260315 
O       3.55933000       1.89232995       1.76499005      -1.00858054       0.72607704      -0.66263533 
O       4.93182003      10.81361216       1.11692004       2.99289174       1.06834330       0.08326246 
O       5.26831998      10.52260003       3.77225996       1.29956911       1.94047737      -1.09402499 
O       3.67059002       1.57698001       4.17672002      -0.82214108       4.50816456      -1.58077193 
O      10.55390910       9.33801000       6.55852995       0.51167533       0.68940680       1.02807093 
O       1.90394002       7.57646999       6.38240995      -1.28294225      -1.39051846      -1.10157020 
O      10.32990004       4.92053003       0.95318202       1.11455964       0.83846417      -0.76046490 
O      10.73860004       5.67363999       8.90644996       1.88559576      -2.04691861      -0.05521216 
O       7.66163996       9.05382000       6.89205000      -2.18622051      -1.61229028       0.24343831 
108
Lattice="10.95865273 0.0 0.0 0.0 10.95865273 0.0 0.0 0.0 10.63157355" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0053283532222167355 -0.0010115266125845595 0.005549161262608283 -0.0010115266125845595 0.0018559058666798391 0.002654400341877714 0.005549161262608283 0.002654400341877714 0.003617547949929492" pbc="T T T" energy=-1063.35245825 free_energy=-1063.35245825 config_type=crystal 
Hf       1.83551000       1.82627000       2.43756997      -2.31800439      -0.72133445       3.54186205 
Hf      10.79129997       7.19765999      10.57699998       1.20508766      -2.07497971       3.09120977 
Hf       1.84376001       9.32622004       8.22433003       1.05093581      -4.75121211      -6.42189211 
Hf       7.40571001       3.29945001      10.60010005      -3.66948790      -1.35701059      -1.20171473 
Hf       8.81169003       5.53649996       2.74048998       4.34163889       0.88464699      -3.51602703 
Hf       3.71914997       7.07066005       4.92709995      -1.66390242       0.53870784       1.20957799 
Hf       3.53614004      10.71500002      10.29799996       4.31250930       2.19306652       0.98261548 
Hf       7.26416005      10.91739998       5.21852999      -3.06786224      -2.25093308       1.17465254 
Hf       5.26429996       1.70492999       2.43898004       1.18180023      -0.60182839      -1.17515159 
Hf       5.27434005       1.70912003       7.70511003      -0.33383019      -1.23015147       2.12109320 
Hf       1.92480998       9.00715996       2.42565995      -1.22910828      -0.08208115       2.13315017 
Hf       3.56368001      10.79879996       5.09238999      -1.93932720       2.83685157       0.95255627 
Hf       3.29215999       3.57172004      10.54249999       0.99066007       0.44794508      -0.31860398 
Hf       7.28214002      10.58589997       0.00443475       0.72046580       1.29294206      -1.00562577 
Hf       9.20342998       1.59127002       2.46812001       1.67906203       2.50313167       1.56273781 
Hf       5.54648000       5.24660995       7.84521004      -2.84689602      -2.43654854       1.01422250 
Hf       3.65880002       3.39139004       5.26568995      -1.68188801       3.02150302      -2.70245480 
Hf      10.65930004      10.86939998       5.18199002       4.06272661       1.14195003      -0.18752553 
Hf       8.89485996       1.72309001       7.88210999       1.30285968      -0.72292200      -0.67621228 
Hf       5.55154005       8.97132002       2.58017999       0.09036634      -0.45232538       1.01053848 
Hf       3.62310999       7.18723995      10.59898140      -1.43630299      -2.42920621       0.59034675 
Hf       5.22636998       5.23671001       2.26594002      -2.21509277      -0.59796831       0.64997793 
Hf       9.08317005       5.33230004       7.99994004       0.97899157      -0.50133889      -0.78696124 
Hf      10.74740004       7.45110996       5.48862001       1.87352762       2.48559455      -0.76544300 
Hf       5.28537005       8.66376006       7.74080001      -1.71487332       4.26605652      -1.58159175 
Hf       7.23902003       3.74626004       5.00267003       0.32386483      -4.13655550       1.73909224 
Hf       7.22974002       7.18980001       5.27154997      -0.68439849       2.68507512      -1.02657957 
Hf       0.03483745      10.77810005      10.23750003      -1.93120627       2.13650862       1.08760454 
Hf      10.80910000       4.15103004       5.46796000      -0.46649770      -6.13082649      -1.52222513 
Hf      10.65479997       3.30902996      10.39480001       2.03411389       2.62201647       2.10205886 
Hf       1.70155001       5.62803002       7.73008997       3.38434841      -0.59739406      -0.32521661 
Hf       8.90229004       8.92273001       7.84251004       0.12533643       3.57890692      -1.94669411 
Hf       1.80465000       1.98138995       7.73132005      -2.16368603      -0.53536156      -0.83460013 
Hf       7.17396004       6.89610998      10.17910005      -0.65622358       1.57857113       3.90530456 
Hf       9.08442000       8.99688995       2.43419998       0.76778423      -0.25315132       0.45007691 
Hf       1.49255995       5.38661003       2.70494001       1.73598300       0.67400548      -1.51428862 
O       7.47017001       5.02759996       9.45237002      -0.96077837       5.20892568       1.14289630 
O       8.99265005       7.51026005       3.80014997       0.64722929      -3.24089031      -0.37075526 
O       7.37018995       8.86056004       1.38845002      -3.53989153       1.55836901      -0.18715607 
O       5.38970004       7.17242002       6.16435996       0.43816751      -0.34066063       1.66936174 
O       8.84343002       7.53769000       6.35455998       2.23267170      -1.03263801      -0.56868265 
O       5.30565999       7.12296998       8.99617005       4.04674947      -0.22051309      -0.17640199 
O       7.35648999       1.17559999       1.61335000       0.66466479       1.28915073       0.69643096 
O       7.61103001       1.49448002       9.49199995       0.05825260       0.32076754       3.05215775 
O       9.06114996       7.36617996       1.02771998      -1.61779471      -2.54193593      -2.52902181 
O       3.44853996       8.80527999       6.77870001       0.21680109       0.66854041       1.36485595 
O       7.61530005       1.80319995       4.76636002       0.76018928       0.78396025      -1.86103550 
O       7.51896999       9.26534998       3.98616997      -2.18026368      -0.21566956       0.35101975 
O       9.20422996      10.25259999       0.45880704       2.15014684      -0.15800649       1.50221836 
O       3.53901997       8.74299002       9.40767999      -0.13987863       3.81990107       0.75691775 
O       7.30971002       9.19271001       9.12797998      -0.70502954      -2.25954205       1.84263404 
O       9.55976000      10.82630004       8.64522000       0.37324200      -0.71551562       0.05850223 
O       9.40798003      10.86380000       3.44807999      -0.01645538      -0.85731172       0.23493479 
O       5.25764005      10.86229998       6.00030999       2.17129279       0.94513391       0.76859810 
O       1.60393000       3.35660004       6.08168002       0.81206225       1.13199983       1.23810914 
O       7.05222004       1.12399997       7.19109003       1.91774707       0.08273723      -0.90423088 
O       9.17466001       3.61116999       6.43636005      -2.86225261       2.11740992       0.86071102 
O       3.70656999       8.87137995       1.54192996       1.59097368       0.23842747      -0.51510829 
O       7.64704004       5.41868995       4.21946997      -2.51635781       2.64249573       2.51834413 
O       9.44055002       3.81708997       3.76876004      -1.73652819      -0.47244864      -0.39246537 
O       9.05892995       3.25590997       1.08710997      -0.23669646       0.33071599      -0.80425271 
O       7.13401005       5.29069003       1.54705002       1.86665400      -0.12352459      -0.99696217 
O       9.06783999       3.63511004       8.98559004       0.71744643      -3.54836163       0.62676676 
O       5.40784000       7.12855999       1.10051001       0.96525564      -0.87625632      -1.37579629 
O       3.40064002       4.95323005       1.33007003       0.05798040       1.33511345       3.25897579 
O       3.83639002       9.17465004       4.29741003       1.02962301      -6.29350411      -2.59799131 
O       2.35146003       7.10345996       3.38163999      -0.96430333       1.05753447      -0.23892085 
O       0.30242002       9.03547997       4.26593005      -0.41085245       0.70636257       1.11502404 
O      10.90489999       5.71835003       6.83829998      -3.46453989      -1.36685258       1.59175482 
O       7.31145004       5.70951002       6.98317005       0.39166324       0.10242445      -0.39028684 
O       9.02688006      10.50770001       6.14171003      -0.25702860       0.32191614      -0.00414381 
O       5.91109005       3.43124995       8.89718999      -0.99789254      -0.61520489      -0.57353283 
O       5.88092997       3.56831004       6.54096995      -1.15827252      -0.42874409      -2.60788313 
O       2.21137996       7.01601002       8.85879002      -1.38179722       0.52601429       0.15536394 
O       1.85562001       6.81616003       0.93266202      -1.01427689       0.74608021      -1.10509832 
O       2.15479002       3.62084001       3.57884005      -0.63846956      -0.67663278      -0.51141998 
O      10.62970006       1.78672997       6.77382001       1.35177614      -1.51996840      -0.54918911 
O       1.80662004       0.12204301       6.20701000      -1.29855377      -0.19572822       0.69522733 
O       2.00525997       0.15701295       8.90043996      -1.49457114       0.33069033       0.38196252 
O      10.73289999       1.33240001       1.24951002       0.76072788      -1.22135724      -1.73406251 
O       0.04478275       1.85604005       9.20499999       0.73913654      -1.48485956       0.47539684 
O       1.87720998      10.28290001       0.66432302      -2.54024514       0.48973933       0.75457107 
O       2.25183996      10.84490005       3.44759997      -1.32707980       0.52278986      -2.20661253 
O       0.18994731       1.89640001       3.69031997      -1.11380806      -1.47399063       1.31818848 
O       0.05167114       5.71705998       4.45722002       1.01052263       1.70752212      -3.41490682 
O       5.58703995       7.10914005       3.72562997       0.47357756       1.04807712      -1.38652710 
O       0.02451703       8.28296003       1.86635998       1.02971936       1.74349255      -0.67735108 
O       1.49302000       3.05243004       0.95743603      -0.51841027       2.19874092      -2.23259377 
O       3.71909003       5.10616999       6.59338999       0.14530765       0.17778611       1.77166687 
O       3.48660999       1.90695001       6.56269004       1.94362834      -0.18483245       2.19127652 
O       1.85017005       3.97980000       9.02988000      -0.09740861      -1.64013377      -1.31734683 
O       4.09864001       5.39837995       9.75609005       0.34067165      -2.37115835      -1.53121012 
O       9.40738004       7.20510004       8.75924001      -1.69731634       0.12274943       2.10867677 
O       5.31489003       3.35616005       0.94515199       2.17833005       0.29835829      -0.18699786 
O       5.80520996       3.47150996       3.50272000       1.22580616       1.20095316       0.34760873 
O       3.85790000       5.24774998       3.93354996       1.45306850      -0.05065738       1.00323603 
O       0.48429300       8.80824003       9.62778003      -0.80940394       1.67827594       0.20226839 
O       4.79694005      10.68710006       8.66205998       0.99790003       0.55614725      -1.61408704 
O       3.59394002       1.96157999       9.38678001       0.11761380      -1.26010030      -1.62854906 
O       3.54710998       1.65010001       1.41258996       0.21390258      -0.67641978      -0.54726384 
O       5.47816004       0.05164780       0.49356198      -2.41215382      -0.78930551       1.26609574 
O       5.45377002      10.85910005       3.37023997       1.09649352      -0.68518441      -0.99481349 
O       4.14557997       1.78546995       4.11001005      -1.66338098       0.23519525       0.81663466 
O      10.94078256       8.99401002       7.00868997       0.60193247      -0.36850251       0.22949322 
O       1.77665996       6.97912002       6.09750001       0.68369236      -0.23021285      -0.80014902 
O      10.64970004       5.29606997       1.75717000       0.77942320       0.27428209       0.20545426 
O      10.74700005       5.34767996       9.65159997      -0.32362295      -0.45988705      -0.30864117 
O       7.04525998       9.11397998       6.74830998      -0.30020344      -0.94661902      -0.54175749 
108
Lattice="10.95978878 0.0 0.0 0.0 10.95978878 0.0 0.0 0.0 10.6326757" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0015063063014831382 -0.0030822145485647073 0.014895628222363835 -0.0030822145485647073 -0.0012425974416016144 0.0002528652988318527 0.014895628222363835 0.0002528652988318527 -0.005356353880457273" pbc="T T T" energy=-1064.97387393 free_energy=-1064.97387393 config_type=crystal 
Hf       1.51495999       1.87793000       2.23169996       0.75538278      -0.58101358       0.75844525 
Hf       0.27221397       7.30757003      10.38479996      -2.00602093       0.84119771       1.42183939 
Hf       1.94469002       9.03343000       7.85387003       0.32636965      -0.31877170       0.19756586 
Hf       7.24383995       3.39708002      10.40969998      -2.21291652       0.08752632       0.88767973 
Hf       9.29073997       5.47231000       2.61231998      -4.04173813      -0.67465416       1.46085908 
Hf       3.62408004       7.17726998       5.19077999      -0.87235787      -0.43814475      -0.01716175 
Hf       3.49918996      10.80849997      10.56279999       0.31394197       1.70376718      -0.57798651 
Hf       7.11968001      10.88099995       5.25735999       3.26327623       0.36753249      -0.85151320 
Hf       5.34936999       1.64551003       2.35100996      -1.88979437      -2.33225374      -2.54605212 
Hf       5.39577001       1.30718004       7.90017002      -1.74595786       2.98885015       0.80674073 
Hf       1.92857003       9.22858997       2.67938005      -0.94039399      -1.16085730       1.25351498 
Hf       3.34025001       0.31541505       4.73967001       0.74386076      -3.10220552       2.89386472 
Hf       3.60015000       3.55597000      10.60709997      -1.65905173      -2.56248409      -1.71417749 
Hf       7.15653000      10.42729999      10.46540000      -2.02798907       2.75721778       1.52647306 
Hf       8.89731994       1.86891995       2.61722005       1.78879925      -0.21916453       2.09166971 
Hf       5.17561997       5.30976997       8.06174001       2.38836251      -0.63607095      -3.89196308 
Hf       3.44768005       3.58514002       5.20165998       1.66094864       3.03667244       0.75433772 
Hf      10.83210001      10.79780003       5.10495005      -0.33692683       0.40222775      -0.50533134 
Hf       9.01730004       1.80506001       7.83969997       0.25842935      -5.66652575      -0.30392522 
Hf       5.34380998       8.89143004       2.74892998      -0.06814394      -0.57591818      -0.39747404 
Hf       3.75874998       7.34839995      10.43280000      -2.58941468      -0.22159694       1.71368444 
Hf       5.31150995       5.13010002       2.34789001       0.28174522       0.23300051       1.90970500 
Hf       9.03025999       5.26812004       7.96419999      -1.46287689       2.29266427       0.55726931 
Hf      10.91880005       7.18633000       5.19998001       3.74931499       3.18506058       2.77254464 
Hf       5.75034997       8.92755000       7.78754999      -2.90113326      -1.43575101       0.91459993 
Hf       7.37330005       3.59653996       5.49841998      -2.05869818       1.10588208       0.00192849 
Hf       7.29830002       7.30041000       5.03282999      -1.32036891       2.73937693       1.57906212 
Hf      10.60469995       0.14801502      10.25859999       1.97342200      -4.78676309       0.70860682 
Hf      10.75650004       3.61593999       5.16616002       2.04587705       0.08283660      -1.16242534 
Hf      10.60769998       3.50814005      10.46039998       3.72314776      -0.15937323       0.68383157 
Hf       1.58209001       5.16143000       8.15051998       1.67887192       0.15436901      -2.27191230 
Hf       9.25200994       9.02366000       7.76863000      -0.61446194      -1.62758402      -0.09037381 
Hf       1.80061000       1.68760998       7.67260003      -0.87916876      -1.74210079       0.64185597 
Hf       7.18579998       7.18248004       0.14746500      -0.43597104      -2.19804738      -1.13660045 
Hf       9.24060004       8.87155994       2.26709996       0.53996789      -0.05125552       0.41329431 
Hf       1.70813996       5.31058998       2.34675997       0.27004260       3.02538527       2.69626206 
O       7.27160998       5.47721001       9.56728000       0.14271739      -1.42227752       0.95435092 
O       8.44872998       7.16631994       3.28147998       1.96583052       2.20966426      -0.28206931 
O       6.79705003       8.69287999       1.33437996       0.38961686       2.04543532       1.63652789 
O       5.58148001       7.12657997       6.43021005      -0.08994985       0.66269188       0.78881544 
O       9.10474995       7.68989996       5.99084003      -0.79837453      -1.18434866      -0.67808994 
O       5.40382995       7.66009996       9.48319999       1.03355373      -0.62628906      -3.59425942 
O       7.22383001       1.87830997       1.63220004       0.38166753      -0.56871858      -0.91520933 
O       7.04715997       1.45417996       9.63112996       0.29429558       0.05744231      -0.35147493 
O       9.08367000       7.54768004       0.59867100       1.95593537      -1.15744130       1.73263722 
O       3.82018003       8.82003995       7.27420005      -1.23976200      -0.19173109      -1.12945411 
O       7.59459999       1.90213995       4.33909001      -0.09893504      -2.05315246      -0.27838040 
O       7.03115002       9.37798997       4.01107005       0.14902834      -1.38835636       0.31616508 
O       8.80379995      10.15300004       0.82206596       1.81423511       2.60688354      -0.39166529 
O       3.00501002       9.04979998       9.74959998       0.46439448      -0.68611103       0.04643338 
O       7.43278003       8.81668998       9.54530003       0.40300263      -0.32801978      -3.27281616 
O       9.14157999      10.81859996       8.83627004       0.07373545       0.85813223       0.09333124 
O       9.47096997      10.50659998       3.49823005      -0.21173913       0.87678688      -0.99260399 
O       5.59850002      10.69989997       6.36284003      -2.81779682       1.12911325       0.76236318 
O       1.67828002       3.53136998       6.18464999      -0.71484648      -0.03146688       1.70722879 
O       7.16583004       1.77377003       6.98420998       0.98520732      -0.10767536      -0.55448413 
O       9.35915996       3.18783003       6.61734003      -1.92988957       3.75040118      -2.63179115 
O       3.61106003       8.87554997       1.65086995       0.98149002      -0.81878616      -1.66443468 
O       7.30194996       5.50334001       4.72538001      -0.44262100      -4.12825345      -1.03700542 
O       9.14491998       3.94510004       3.99025999      -1.81849713      -1.69667845      -1.68636607 
O       9.13361003       3.47618997       1.04083996      -2.05525955      -0.43660585       0.97355587 
O       7.35099995       5.39742998       1.77433999      -0.48117849      -0.64160583      -0.65523165 
O       8.68404004       3.32287995       8.95609998       1.70707011       3.09876386       1.73105055 
O       5.29926995       6.78968001       0.99311700      -1.23350348      -2.06015002       2.29852134 
O       3.41092004       4.56818003       1.75440000       2.18535310      -0.15878206      -1.47118076 
O       3.46233000       9.10847003       4.22086997       0.12845034       0.94247257       0.86554106 
O       1.88952995       7.10497998       3.66459995       0.38548138      -1.02640683      -2.14639562 
O       0.53071604       8.90365996       4.27795000      -2.04502600       2.30766746       1.07972636 
O      10.56750002       5.36028002       6.57790004       1.19801629      -0.02581450       1.96648556 
O       7.23755002       5.30745998       7.12968997       1.95450973      -1.32538818       0.32174102 
O       8.93937002      10.60349997       6.04012003       2.41606553       1.47389500       0.30598416 
O       5.50827005       3.46051002       8.67784998       0.41985001      -0.02585931       0.89373221 
O       5.38196002       3.56541996       6.14023997      -0.13052354       0.02618603      -1.64431350 
O       1.81759000       7.00973996       8.93876000      -0.71590155      -0.07233907      -1.36197963 
O       2.03968004       6.56399998       0.69356699      -0.88367699       0.32806670       0.41999939 
O       1.42767995       3.76851000       3.62850000      -0.17121283      -2.22406791      -0.09824492 
O      10.92219999       1.46291995       6.63305002      -0.04667214      -0.41924263       0.98315537 
O       1.92182998       0.05613757       6.15679005      -1.76752687      -2.61039603      -0.17552981 
O       1.82348001      10.90290002       8.88017002      -0.64205635       1.69107288      -1.04708410 
O      10.61440002       1.30900999       1.23830002      -0.01419054       1.63286736       1.71371934 
O      10.91869998       1.82826999       9.34974003      -1.68560551       1.15791708      -1.43300789 
O       1.80992999      10.64140001       1.06715998      -0.36342851       2.12983868       0.10235257 
O       1.67919998       0.28457705       3.62033995      -0.35046267      -1.00725319      -0.74973795 
O      10.50180003       1.82821004       3.96202003       1.24715625       0.01521198       0.66671447 
O      10.72029997       5.64471000       4.14895002      -0.08674188      -1.72048948      -1.98396447 
O       5.31788000       7.23578999       3.89355995       1.65672690       0.45687373      -1.49200518 
O       0.28963105       8.68145002       1.72207996      -2.43556985      -1.70184618      -0.80721000 
O       1.44677004       3.47049000       0.94563201      -1.11042696      -0.67736404      -0.30784194 
O       3.46711000       5.31994000       6.69216005       0.30042270      -0.28765561       2.07129643 
O       3.44659996       1.61019003       6.60423005       3.59968232       1.51920296      -0.26898907 
O       1.87013002       3.22559001       9.18913995      -0.23491370       3.72783632      -2.65758877 
O       3.81483001       5.33992002       9.49711997      -1.33675929       0.43192425       0.76325869 
O       9.50662995       7.28651003       8.84206995       0.02846143      -1.78103297      -1.84659373 
O       5.42278994       3.48372997       0.74555695       1.15685958       0.84591644      -0.05699506 
O       5.60951998       3.23400001       3.23303995       0.40897638       4.42478104       2.29254033 
O       3.69486997       5.47259999       3.94380998       0.69817498      -2.58763806       1.36019884 
O       0.20776899       9.18835001       9.80650999      -0.34295966      -0.41438716      -1.11828961 
O       5.08370000      10.62210004       8.89296995       1.47507590      -1.52238384       0.62531603 
O       3.72928996       1.72115997       9.47590002       0.84364895      -0.87838312      -0.59450283 
O       3.47127998       1.78654004       1.28936004      -0.77918848      -0.22543070       1.38770367 
O       5.44610996      10.90150002       0.90858298      -0.51679058      -0.14726147      -1.42691226 
O       5.08748003      10.77060003       3.28155005      -0.64952902       3.83756395       2.66115011 
O       3.43871001       2.06268003       3.92536005       0.37440022       0.16996285      -1.01871357 
O       0.05384785       8.75264996       6.95300000       1.07350861       2.13162087       0.27585958 
O       1.87722002       7.28914005       6.19388001      -1.18914865      -0.19681157       0.81227795 
O      10.79780003       5.32909997       1.49611997       1.33202052       0.63597290      -2.04015273 
O      10.88690005       5.23457004       9.48018999      -0.16727935      -0.61529384      -1.14238696 
O       7.40362995       9.16167005       6.88781999       0.27494676      -0.51600098      -0.78351590 
108
Lattice="10.96116813 0.0 0.0 0.0 10.96116813 0.0 0.0 0.0 10.63401388" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0018993552711314163 0.0009312463186830195 0.006960840531071617 0.0009312463186830195 -0.02680794913768848 0.008497079038141462 0.006960840531071617 0.008497079038141462 -0.01444785657179401" pbc="T T T" energy=-1061.50151512 free_energy=-1061.50151512 config_type=crystal 
Hf       1.96445003       1.48465000       2.57668005      -0.71004758       0.34648994      -0.55513062 
Hf      10.92029602       7.36947997      10.56940002       0.56451835      -2.58105572      -1.66048738 
Hf       1.49914000       9.19033004       7.91942003       4.98769358      -0.46402931      -1.29143533 
Hf       7.00615002       3.54584998      10.45220000       0.69819202       1.04749728      -1.90318703 
Hf       9.17342002       5.46293001       2.14229005       0.49780695      -2.80940929      -0.22458396 
Hf       3.47203002       6.96570999       5.32235000       2.16162410       2.86990884      -2.67370662 
Hf       3.51742997      10.76057316      10.48819996       1.50973919       1.26683940       1.09166434 
Hf       7.26689001      10.72059998       5.31987004      -1.05719136      -1.93211537       0.44558073 
Hf       5.61701005       1.43254005       2.19710998      -1.07432594      -2.62463760       2.39448631 
Hf       5.34452999       1.60060995       8.02248000      -0.94648707       2.09112018      -1.55441291 
Hf       1.40172996       8.96145997       2.38159003       2.70479422      -0.44902638       3.78394000 
Hf       3.51533003      10.48919996       4.88606002       0.07080627      -0.86955637       2.17383953 
Hf       3.26784999       3.85142006      10.28660001       0.32515232      -1.00150236       1.08669272 
Hf       7.49960000      10.76670002      10.29349999       0.21891114      -1.18028042       1.95513460 
Hf       9.05328003       1.77281998       2.83478001       1.60809313      -2.35960785      -4.02210606 
Hf       5.22966002       5.68675005       8.04444998       2.57109645      -0.28835578      -0.90147151 
Hf       3.51564999       3.40429000       5.27130003       0.14887041       2.07862996      -0.83757006 
Hf       0.01803803       0.29109202       5.19394003       1.27922015      -0.46591126       1.55558862 
Hf       8.85763995       1.89429998       7.72719002       1.40409052      -1.43796685       0.21998518 
Hf       5.59375001       8.68953005       2.71787998       0.09553073      -1.80879016      -0.07155982 
Hf       3.88008000       7.55073001       0.16460805      -2.33225965      -2.42013133      -0.04712085 
Hf       5.45268000       4.81148005       2.34391999       0.82127902       4.12456263       1.02755261 
Hf       9.04252997       5.33578999       7.88652998      -3.09314318       3.02760699      -0.72221071 
Hf      10.86840004       7.10501997       4.94739999       0.75716255      -2.36434236       1.41491447 
Hf       5.47236001       9.03287001       7.73561003      -3.45454747      -0.79830750      -1.85852193 
Hf       7.15862995       3.20417996       5.13038000      -1.31325538       1.26148934      -0.63041558 
Hf       7.17652000       6.85989998       5.06900004      -1.64850337      -0.19586506       1.44437495 
Hf      10.91479998       0.16813182       0.00408612      -2.62768759      -0.92473390       0.23969992 
Hf      10.84170006       3.75032005       5.10691998      -0.84840765      -1.54595958       2.06587356 
Hf      10.81010000       3.60320999      10.39090001       1.48778557       0.38255480       1.86581689 
Hf       1.58882998       5.70545999       7.77303996       1.15866164      -1.39614337       0.95506642 
Hf       9.19677005       9.08644995       8.12897997      -2.40748476      -0.68080114      -0.45914328 
Hf       1.80875003       1.75733996       7.87175997       0.69322085       2.28018490      -0.87331866 
Hf       7.20070001       7.13905002      10.55819995      -1.71204415      -0.34715460      -1.67652998 
Hf       9.09819002       8.88587000       2.60618997      -2.88923827       2.75880183       2.35477464 
Hf       2.05591999       5.25920004       2.49481005      -0.95539311      -1.33963133       0.09990969 
O       6.88464996       5.52523997       9.23430000       1.45250203      -1.16151449       4.60062164 
O       8.77128995       6.95934002       3.25309000      -0.27157853       2.43927836       2.66252525 
O       7.40648005       8.64069004       1.59590995      -0.84733398       1.04567773       0.39615996 
O       5.43070998       7.26183998       6.32547003       0.37663238       1.90137576       0.74001884 
O       8.95764000       7.48983995       6.01621005       1.89500430      -0.23557610      -0.81908168 
O       5.36266996       7.44613997       9.08131004       0.76330194       0.79232270       0.27380127 
O       7.34558999       2.17930000       1.63498995       1.53986438       0.72994436      -1.91563198 
O       7.22719995       1.65423998       9.53223997      -1.16790609       0.65015027      -2.07078893 
O       8.93335005       6.79980997       0.74793103       2.86828228      -0.09804993      -0.38213073 
O       3.42394995       9.06694006       6.76337001       0.32809593      -0.06992053       1.26568625 
O       7.45935004       1.12601998       3.87417001      -3.00634271       1.24853134       0.68057894 
O       6.80283000       8.95007997       4.48985995       3.49197816      -1.50105300       0.18456875 
O       8.94933999      10.78110003       1.00871002      -0.28312562      -0.02688502       0.29360772 
O       3.42445000       8.81187006       9.47755998      -1.28085170       3.96863197      -0.52831856 
O       7.55543005       8.84862998       9.50099001      -1.34913998       1.96755856       1.96498914 
O       9.17870002       0.16145198       9.08500004      -1.40829167      -0.53732358      -2.18062044 
O       9.51044996      10.82060003       3.79994002       0.20275449      -0.97661563      -1.63926163 
O       5.20880004      10.59340000       5.93569004       2.19803056       0.96868071       2.02737449 
O       1.58989003       4.17478000       5.89563001       3.25206550      -0.33066850      -0.52443038 
O       7.06732002       1.33457999       6.64887996      -0.83895713       3.62181205       1.92649336 
O       8.78273001       3.62634003       6.47702005      -0.74722935      -0.66385298       0.15884566 
O       3.87529995       9.05970996       1.70282996      -0.26211035       0.52501401      -1.39039853 
O       7.10475000       5.03270997       3.87267997       1.16064645      -0.35828759       1.18888392 
O       8.95868997       3.04076999       4.23049997       1.43465984       1.48374333      -1.03149090 
O       9.54087006       3.58905003       1.18561003      -2.02065290       0.65410591       1.89404764 
O       7.14938004       5.12574003       1.20017001       0.54765275      -0.64778969       0.52120573 
O       8.75263996       3.77946996       8.99220997       0.86765548      -2.48879500       1.52968020 
O       5.50019995       7.19647996       1.15164999       2.10310825      -1.06395748      -0.31659392 
O       3.75104995       5.25438995       1.40519997      -1.49574058      -0.00952140      -0.50393251 
O       2.95541997       8.64644005       4.29364995       1.23093293       0.49924865      -0.90002999 
O       1.54599998       6.83022996       3.51586999      -1.35160783       1.36143434       1.06899893 
O      10.81467913       8.61915003       3.90563999      -0.19151477       2.45779718      -0.10917420 
O      10.75779999       5.21804995       6.85111997      -0.75440930       1.43098426      -0.88047108 
O       7.17600998       5.91506000       7.07613996       1.84730752      -0.83507987      -2.46069722 
O       9.22589004       0.31248800       6.15524000      -0.80685592       1.28310295       1.29591855 
O       5.45885004       3.56552002       8.54115998       0.16111717      -0.80821608       1.02848438 
O       5.52566998       3.98780998       5.90099997      -0.87345749      -1.42186360      -0.45292614 
O       1.22854000       7.42855003       8.90636998      -0.29806231       0.09436286      -0.31678110 
O       1.99621999       7.83875005       1.01616999      -1.00662313      -2.73023943      -3.22932804 
O       2.19551003       3.34382995       3.22843004       0.07980159       1.60091589       0.15731744 
O       0.12243186       2.09752004       6.84111996      -2.18605501      -0.27133705      -0.05557504 
O       2.01204002       0.18867503       6.35363996      -1.42348564       0.33621521      -1.68449177 
O       1.61269003       0.09803197       8.72457003      -0.47180393      -3.23615680       3.95994198 
O      10.86368553       1.36077005       1.69726997       0.92156378      -0.50819523       0.69503718 
O      10.68040000       1.81824997       9.69401001       0.89494667       1.15256936      -2.66458303 
O       1.70354003      10.63709999       0.87027302      -0.07521407      -0.59434636       0.29524200 
O       1.79946998      10.52460004       3.60635003      -1.51244385       3.87793937      -0.39045370 
O       0.41604396       1.97051002       4.16386000      -0.99582560      -0.69658903       0.61495019 
O      10.62390000       5.17791004       3.74606002      -0.36730854       0.33120282       0.89911265 
O       5.40820002       7.00932996       3.90004001       0.01232832      -0.00108356      -1.67146030 
O      10.53179999       8.69740006       1.47148997       2.72479446       0.14471734      -1.61452822 
O       1.58861996       3.24162002       0.71191703       1.04703286       0.78442702       0.22510309 
O       3.70672003       5.79867004       6.84049000      -3.93186708      -2.71621465       1.68752747 
O       3.50685004       2.37803003       7.05915000       2.34163313      -1.23066555      -0.56251419 
O       2.27231998       3.84952005       8.60925000      -2.09956116      -0.46589698      -1.46486367 
O       3.48657999       5.75871000       9.62277999       0.57051069       0.77244127      -1.02637641 
O       9.10027001       7.17114004       8.94767004       1.77189533      -1.16318602      -0.90744250 
O       5.19097005       3.32206995       0.45943704      -0.04513031       0.15287618       2.02961729 
O       5.46600999       3.19745002       3.24911001      -0.46169323      -2.23060294       1.64806284 
O       3.49578002       5.41912995       4.00207997       0.87309264      -2.06245456       0.92773607 
O      10.46321618       9.23927998       9.70723001       1.98355597      -0.19314004       0.47425861 
O       4.81081997      10.79110002       8.72442998       0.95939882       0.44881490       0.44807437 
O       3.27286998       1.84895998       9.86885000       0.70618459      -2.23015531      -1.70561341 
O       3.77193997       0.96068095       1.67728004      -3.36906414       1.55897879       0.83789997 
O       5.55435996       0.05733776       0.70573505       2.90185795      -1.05961753      -2.46149810 
O       5.31160001      10.40919998       3.50671995      -1.14207363       4.23992037      -0.60372091 
O       3.54379005       1.68359005       4.41895001      -0.30036788      -2.19549676      -0.70608398 
O      10.78485412       9.52125000       7.06958005       0.30000082      -0.17804603      -2.19870764 
O       1.72020999       7.34726004       6.34431000      -3.65076000      -1.15350741      -0.42068128 
O       0.48550499       5.75425002       1.19180998      -2.02882918       0.01062204       1.11615678 
O       0.31593189       5.21194995       9.48552996      -1.18863745       2.12401091      -2.48963209 
O       7.28078000       9.71922996       7.35640004       1.00748942       0.24212170      -1.65019724 
108
Lattice="10.962852 0.0 0.0 0.0 10.962852 0.0 0.0 0.0 10.63564749" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0003124915777075856 0.001643115013552943 0.0033681448661418392 0.001643115013552943 -0.007517691666219575 -0.008224119057124118 0.0033681448661418392 -0.008224119057124118 -0.008198045065369612" pbc="T T T" energy=-1053.81611101 free_energy=-1053.81611101 config_type=crystal 
Hf       2.17236005       1.71207002       2.41905005      -4.69596568      -0.74674475      -2.04892540 
Hf      10.55949995       6.81888002      10.42950003       0.01027332       0.81058865       0.35791121 
Hf       1.96141998       8.98206000       7.77932003      -0.34274928       1.66815904       1.75128904 
Hf       7.20966996       3.93987996       0.08535245      -0.42910717      -3.46238723      -4.85336105 
Hf       8.94930004       5.14632001       2.57208000       3.07589738       1.31598738      -0.40325236 
Hf       3.59487002       7.15908001       4.90804001       0.08541458      -0.73299521      -0.94845622 
Hf       3.78466999      10.64670001      10.36989999      -2.15031107       3.20902400       3.23627149 
Hf       7.25588002       0.21787495       5.59688995       0.06840768       0.23036023      -4.78479012 
Hf       5.58351997       1.77661995       2.82375005      -2.81453695       0.56694037      -0.41977906 
Hf       5.42113996       1.82564002       7.80517996      -4.04813828       2.39707203       3.51186175 
Hf       1.85986999       9.07858002       2.72714997       1.19182724      -0.27738144      -2.75510290 
Hf       3.78678998      10.77270002       5.31915001      -1.84425842      -0.04496084      -0.45495455 
Hf       3.61554004       3.61237002      10.28809995       1.58996789      -2.11007973       1.33099880 
Hf       7.25322997      10.93300004      10.34999995       1.14188092       0.05310242       1.72215900 
Hf       9.21045995       1.58741998       2.46790000       2.55374738      -1.18315622      -2.03053101 
Hf       5.19790001       5.60412005       7.43606003       0.72607071      -3.28908370       2.64964992 
Hf       3.33536999       3.46647003       4.81880002       0.39843068       0.87028231       3.59143473 
Hf       0.06046188      10.63409997       5.20052000       0.06701317       3.76845492      -0.72137660 
Hf       8.93375998       1.73564004       8.20574004       2.70483461       0.10582838       1.10378249 
Hf       5.50607005       9.24553998       2.43957004       0.62301523      -0.14442175      -0.05919336 
Hf       3.06006998       6.84081998      10.42310003       4.39773134       2.64602986       2.42214536 
Hf       5.45847001       5.63214998       2.62025002      -1.51234029      -1.17092618      -0.02177036 
Hf       8.91132998       5.20671995       8.05200994       1.18467309       3.44240662      -3.04632804 
Hf       0.19120398       7.08136995       5.41878997      -2.08456957      -1.10877695       0.29945932 
Hf       5.61454002       8.84786000       7.73260996      -8.36614846       2.08181888       5.13197964 
Hf       7.13826002       3.68850001       5.47653005      -2.67907701       0.09444545      -1.07891318 
Hf       7.25851001       7.34877002       5.24002005       0.00596727      -0.57164482      -3.49322725 
Hf       0.05954802      10.57879994      10.34850000       1.09802270       1.53526358       3.37597612 
Hf      10.62900005       3.39324004       4.88327001       2.54949194       2.83968431       3.01907851 
Hf       0.11071899       3.38768999      10.40549995      -0.08010131      -1.72241456       3.06134688 
Hf       1.79603999       5.29886996       7.70002000      -1.02099081      -1.50675158      -2.56474616 
Hf       9.00459995       9.08333998       7.72026995       2.60597739      -1.33945008       1.58696983 
Hf       1.42456002       1.84743998       7.92441004       6.27486823      -2.11295949       2.01099250 
Hf       6.91606998       7.25244996      10.05420005       2.14408030      -1.96035569       4.05383295 
Hf       9.07026996       8.98639000       2.87049000      -1.04370754       1.30244666      -2.07350508 
Hf       1.70219995       5.36982000       2.52863997       0.34509606       0.74972867      -1.46386725 
O       6.54270999       5.35356001       9.42730999       3.47398265      -0.81865648      -0.22178169 
O       8.49140002       6.97294997       3.46043001       0.29876422       0.83900258      -1.02693077 
O       7.06863001       8.58646001       1.39606997       3.68260113       0.04190971       0.54603309 
O       5.36222000       7.22228995       6.09843996      -0.45191034       1.27651939       0.85902411 
O       8.95423003       7.33032996       6.09964998       0.55687440       2.10226238       0.68318445 
O       5.49258004       7.18073000       8.67489004      -0.77229241       1.78256149      -0.72569868 
O       7.29534004       1.54578998       1.93176999      -1.06518809       0.77587664      -1.80008297 
O       6.96879001       1.85708005       9.57295997       3.96746831      -2.16710373      -0.81942243 
O       8.68773001       5.74793995       0.26104899       0.58614275       1.35310993       0.99039645 
O       3.77683999       9.41565998       7.03347004       2.06997159      -0.92246762      -1.11359445 
O       7.12662997       1.84931002       4.31339001       0.60267709      -0.92458499       2.93496338 
O       7.37851005       9.28908004       3.96413002      -0.23062195      -0.99176358       2.20917327 
O       8.80304003      10.84819997       0.99855797       1.21377188      -0.23368531       0.91795840 
O       3.52580997       8.92020003       9.53570000      -1.65099799      -2.56403015      -0.96870142 
O       7.36660998       9.01187995       9.29070999      -0.81933569       2.35888048      -2.30949513 
O       9.15896996      10.83889997       9.21904997      -1.42808799      -0.28259456      -3.46241678 
O       9.22537995       0.03789419       3.89561996       0.75938113      -1.09905181      -0.92280332 
O       5.33306002       0.62655703       6.20300997       2.00547421      -0.75050230       1.27223131 
O       1.43778999       4.32132001       5.67567999      -0.40819426      -0.48379065       2.15986806 
O       7.30637996       1.81548995       7.03477003       0.82405835      -0.80895691      -1.07558992 
O       8.95567001       3.72648004       6.36796003       0.52717306      -0.06760794      -0.51549786 
O       3.80442000       9.15043000       1.52085005      -4.08547150      -0.74701585      -0.15903567 
O       6.64951996       5.45555005       4.35910999       0.90469999       0.23848442      -0.15118384 
O       9.06845999       3.33830004       3.64164995      -0.93510557       1.80708494      -1.03789533 
O       9.33022999       3.12406004       0.74984197      -2.53177171       0.82841977       1.03332476 
O       7.17709000       4.62726997       1.80453000      -2.39339215       1.59442390       3.94541779 
O       9.34312997       3.61597998       8.96978996      -1.31966186      -2.89980897       0.34779295 
O       5.47974002       7.08171999       0.67558005      -2.85248850      -2.63673295       2.12554413 
O       3.23746997       5.26371001       0.94924505      -0.28691535       2.03110604       2.52499546 
O       3.52689003       9.11759999       4.12815999      -3.27394200      -0.47457710       0.95214064 
O       1.77928995       7.19353998       3.59053003       0.18834716      -0.90619090       0.31087192 
O       0.00408279       8.91533000       4.40039003      -1.14829228      -1.61741821      -1.51532501 
O      10.71360005       5.81649000       7.00597997       0.90418336      -0.14789060      -0.02571212 
O       7.16801002       5.52474001       6.93136995       1.41993560       0.18258860      -0.93872186 
O       9.19532003      10.77879997       6.38095998      -0.63809198      -0.53411693       1.40457636 
O       5.45630002       3.36530001       9.62836999       0.95669035      -0.77899105      -0.47233673 
O       5.40218004       3.66870998       6.56869001       3.31849170       0.05018995       0.57794523 
O       1.98755005       6.81990998       8.91582000      -1.73692674       2.54069006      -3.20669315 
O       1.37286995       7.18791999       0.90959195       1.31202456      -0.52646808      -0.70427896 
O       1.61275996       3.63829004       3.48850003       1.69350934      -0.67179247      -1.25548302 
O      10.79480003       1.89887998       7.02054996      -3.12895467       0.30854624      -2.87557967 
O       1.90659004      10.57799998       6.14561002      -2.79482765       0.43229681      -0.69407677 
O       1.71365996      10.91690000       8.66269000      -0.64920566      -1.87631091      -0.31308766 
O       0.16499202       1.66952001       1.52845996      -2.18605265       0.54664045       0.70073070 
O      10.83543198       1.47367995       9.47315995       0.72863822       3.33060564      -0.66968589 
O       1.82242998       0.38264804       0.60715104       0.11291671      -3.20985743      -0.93164133 
O       1.39646004      10.86689997       3.18657995      -0.08649177      -0.92957391       2.00689344 
O       0.22986700       1.78549000       4.11244997      -0.81395527      -2.09111246       1.69334469 
O      10.60259997       5.64500995       4.08499001      -0.22456851      -1.31326543       0.72590682 
O       5.03730004       7.54613995       3.53975003       2.67829077      -2.57174133      -1.71774524 
O      10.70040001       8.97463004       1.50044003      -0.62298171       0.26743077       1.36041139 
O       1.92355001       3.36092002       0.72407999      -2.57663719      -0.88471357       1.55125200 
O       3.54957996       5.29810004       6.43246002      -1.27937217       1.57905999      -0.63029638 
O       3.53078996       2.45529997       6.68090003      -2.56287993      -1.58812908       1.63150268 
O       1.82113001       3.66784994       8.78613998      -1.05307860      -1.38963506      -0.37187488 
O       3.97300005       5.14223996       9.12475996      -1.92007675       3.34861516      -1.99179415 
O       8.96540995       7.12481003       8.88535004       0.09161890       0.71072857      -0.50764909 
O       4.72981002       3.29475997       1.55137000       1.14661822       0.53902623       0.17329143 
O       5.26020003       3.40104000       4.01913004       0.26560306       0.55878941      -0.10855649 
O       3.66492001       5.38888999       3.78032997       0.02813818       0.40220527      -0.71842859 
O       0.00384796       8.83721003       9.46032995      -0.05092251      -1.59855616       0.81831074 
O       5.08838002      10.91383972       8.88917005       2.91850106      -0.12724169      -2.85898318 
O       3.38767003       1.77120003       9.62018001       0.23330302      -1.60571521      -1.31313414 
O       3.77817000       0.89489498       1.95532997       3.33975288      -0.44486966      -0.87736520 
O       5.64406002      10.51250001       0.66851904      -0.62841892       0.47604950       1.00496700 
O       5.24125995      10.62170000       3.97077996       3.16878390       1.69608393      -1.72380131 
O       3.44364000       1.52619004       4.35327996      -1.60357181       1.06426793      -1.61231453 
O       0.00860167       8.69676998       7.17252996      -1.27192819       0.85936407      -2.43259853 
O       2.02958995       7.54629003       6.07486998      -0.46936251      -0.03024299       2.27175801 
O      10.84900004       5.27189005       1.73134004      -1.16882879      -0.10361292      -2.14520989 
O       0.13174805       5.26805996       9.31176995      -0.91311639       0.66726383       2.12994162 
O       6.94084000       9.30601995       6.65331998       6.32484506       1.02715935      -3.93630786 
108
Lattice="10.96463568 0.0 0.0 0.0 10.96463568 0.0 0.0 0.0 10.63737794" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007482290893755626 0.00916223030558904 0.0019196792039471008 0.00916223030558904 -0.03394121054072492 0.003421063938171279 0.0019196792039471008 0.003421063938171279 -0.012742857494578664" pbc="T T T" energy=-1061.43966055 free_energy=-1061.43966055 config_type=crystal 
Hf       1.39223999       1.77586003       2.56487999       2.12693277       1.58900593      -0.19915081 
Hf      10.75680002       6.88763995      10.62220000       4.13682963       3.91802494      -0.75901242 
Hf       2.03599995       9.09571002       8.05235001      -0.71765853       2.41335393      -1.86848474 
Hf       6.85404003       3.31923995      10.46900005      -1.75433578      -1.49547017       0.34016012 
Hf       8.72529996       5.66492003       2.41236999       5.19900825      -1.70413600       2.04317243 
Hf       3.60538997       7.20190999       5.12342001       5.51357443      -0.20087932      -1.16865186 
Hf       3.10296997       0.08686283       0.21307796       0.39699178       1.49022729      -1.26120316 
Hf       7.19428003      10.65499996       5.44458000       1.59077022       0.24447393      -4.00470334 
Hf       5.27659003       1.84619005       2.60212996      -0.11476615      -3.83154902       1.93288130 
Hf       5.49123998       1.61048996       7.36793005       1.76620693      -1.32552846       2.36849234 
Hf       1.51388999       9.07921000       2.75461997      -1.70809338      -2.04575764       0.01029814 
Hf       3.55881000      10.70860003       4.93182998       0.85386837       0.68454299       0.84587890 
Hf       3.61837001       3.91534004      10.58880001      -3.43856219      -0.80033580      -0.37703830 
Hf       6.86763004      10.60840004      10.29789996       2.45066871       1.66296222       0.16001357 
Hf       8.82586003       1.53631004       2.37842995       0.23251075      -0.42812911       1.05490030 
Hf       5.74323001       4.85752998       7.66427995      -1.14170308       3.54216562       0.78772502 
Hf       3.75530000       3.82865999       5.04683003      -2.62663476      -3.71073596       0.45894134 
Hf      10.92859997       0.03985601       5.31611004      -0.16065484      -0.61954294      -1.06889492 
Hf       9.38450997       1.50835000       8.08455999      -1.76685352       0.00816428      -0.30677197 
Hf       4.99509998       9.01898005       2.19038004       2.25700842       0.16283801       3.01973455 
Hf       3.54032001       7.28193999      10.52899997      -1.17779884      -1.13644953       2.19644651 
Hf       5.56336996       5.29316998       2.64198003      -2.01675283       1.93961007      -1.40512244 
Hf       9.16670998       5.19785999       7.86615005      -0.41018331       0.08592987       0.71431091 
Hf      10.92610003       7.35379004       5.37412003       1.11590287      -1.59419816      -1.31328837 
Hf       5.58969002       8.81276003       7.87260002       0.33617701      -0.83821743      -1.92850124 
Hf       7.56046004       3.35366003       4.86919997      -2.28140455      -0.90525229       0.26205608 
Hf       7.30951999       7.22754004       5.02370001       0.21506638       0.78320233       2.18120127 
Hf      10.81139996      10.60329995      10.32330000      -1.04589408       1.09683902       1.57668614 
Hf      10.71710004       3.51808000       5.35102000       3.86846192       0.95799315       1.19200876 
Hf      10.62899996       3.77418999      10.54200002       0.59716899      -4.39712368       0.68562888 
Hf       1.90859999       5.48914004       7.79820996      -0.11833880      -0.82825353      -0.10868051 
Hf       9.51974000       9.00693002       7.75999997      -1.82451463      -2.39784615       0.95002851 
Hf       1.78332003       1.80406995       7.93574998       2.22597603      -0.58542697       0.34694307 
Hf       7.25105995       7.06621001      10.42730004      -0.75362831      -0.05674128      -3.50248709 
Hf       8.93463996       9.18060996       2.44540001      -0.41234641       1.27848662       2.66483121 
Hf       1.39338996       5.40660999       2.84035000       0.87497980      -2.51195938      -2.57560247 
O       6.92459999       5.02321001       9.42107004       0.58922746       0.82373398      -0.59477768 
O      10.64740004       5.16277996       4.13200000       1.74591166      -0.38706168      -0.92598334 
O       7.34637005       9.52671998       1.49588000      -1.42380046      -1.44953137      -0.45385108 
O       5.58935999       7.36858001       6.06042004      -1.36631728      -0.02300605      -0.04629763 
O       9.05706999       7.29281997       3.45189999       0.17918807      -0.43363248       0.06038179 
O       5.78657003       7.00465005       8.63005005      -1.34150243      -0.92921728       0.80574562 
O       7.16422004       1.50217000       1.33520996      -2.00143022       1.01869240       0.72593854 
O       7.25293995       1.77780998       9.48953997      -0.43563274      -2.60378438      -2.27640134 
O       9.09369000       7.20680000       0.79982104      -4.26180504      -0.05838922       0.43463224 
O       3.56405998       9.05808005       6.65733001       1.45928391       0.10893405       0.37751381 
O       6.98021997       1.46711003       4.06324999       0.67660768       2.17906519      -0.37763734 
O       7.42247997       8.94958004       4.26614000      -0.13234215       1.08561776      -1.84992837 
O       9.21569000      10.95083581       1.23527998       2.54345312       0.51875430      -1.38199730 
O       3.48766004       8.91703997       9.50479004       1.43276625       2.50018006      -0.45534564 
O       7.23912999       8.80033995       9.52450003      -2.01673822       3.57113296      -0.29643566 
O       9.08915997      10.71959998       9.32766004      -1.18691410       0.13323708      -2.45712132 
O       9.00411003      10.92674639       3.74451000       0.88455414       0.38875905       0.02178431 
O       5.36286998       0.28318595       5.91986996      -0.73419295      -1.13712035       0.68012209 
O       1.76962005       3.59707000       6.14411003      -0.16943819       0.93916789      -2.04487858 
O       7.74881001       1.06038005       6.68455000      -0.69411565       3.08808361       2.10454707 
O       9.07461998       3.25674997       6.43723000      -0.91038503       1.09446055      -2.16686710 
O       3.12906997       9.07047995       1.57469999      -0.41190053       0.92334957      -2.27296503 
O       7.33210001       5.43285001       4.07433999       0.15572912      -1.54592896      -0.22322919 
O       8.65846995       3.51476002       3.23980003       0.46559442      -0.09198694       0.37655015 
O       8.51436997       3.83884998       0.44298797       4.19395461       1.19021183       2.71041176 
O       7.17403997       5.87015005       1.43486995      -4.59325775      -1.15660349      -0.11930999 
O       9.15390998       3.27017003       8.85089999       1.11139558       3.05555424      -0.47648016 
O       5.54432000       7.85870000       0.71700501      -1.25730993      -2.42681701      -1.73486537 
O       4.06662998       5.51062995       1.24863000       0.62256238       0.57460425      -0.43691625 
O       3.42999999       8.74382997       3.98785002      -1.61762927       1.62256710      -0.64835400 
O       1.47707995       7.17960002       3.62667998      -0.54773655       0.63402156       0.76258914 
O      10.93980001       9.12198995       4.50180004       0.84833005       1.45562640      -3.41914612 
O      10.71589996       5.50006005       6.62122005       0.36452631      -0.25266669       1.41087594 
O       9.23496999       7.81558003       6.09474005      -2.78346247      -2.16859578      -0.11986411 
O       9.34291003      10.34720005       6.41704005       2.16161934       2.98162899      -1.15558701 
O       4.94615001       3.37982998       8.88070996       1.24839897       0.86819597       0.27629560 
O       7.53046003       5.48368995       6.78800999      -0.42235353      -0.59121639      -0.47719141 
O       1.59030001       7.47383997       8.84481998       0.44983005      -5.73251784       0.45884945 
O       1.70256999       7.04727003       0.89621803       0.23637724      -0.26410218       0.05608829 
O       3.86736998       1.71312005       4.43859997       0.54616895       0.49618519      -1.12394672 
O       0.11407497       1.72237004       6.79668998      -2.21177822      -1.08129985       0.14644990 
O       1.79484003      10.88760001       6.05436003       0.08862628       0.26566714       1.33310895 
O       1.62074004      10.95899997       9.16298002       2.28582283      -1.81172902      -1.24890959 
O      10.80490002       2.67774002       1.63416995      -1.85200644      -1.89680535       1.18677334 
O      10.91820001       1.58175999       9.52798005      -0.96506682       0.72098673       0.04583709 
O       1.18737005       0.39584901       1.01436004       1.07822873      -1.24414949       0.82609478 
O       1.81564005      10.86950003       3.52926000      -0.62993208       0.79144568       0.20223782 
O      10.93649999       1.90588997       4.18707003       0.31735579      -0.89419807      -0.52884471 
O       2.55171995       3.46618997       3.30140002      -3.19656366      -0.74277426      -0.70989537 
O       5.39991005       6.99223995       3.51729997       0.31107781       1.73342095      -0.19122229 
O      10.64780003       8.78450998       1.47201004       3.42433479       1.28719381      -0.22007682 
O       1.60997002       4.01422001       0.81583998       1.90505706       0.48740433      -0.85396305 
O       3.78759996       5.24269998       6.60325001       2.86039680      -2.12959241       1.52554680 
O       5.80322005       3.33683995       6.23502004       0.72109621       0.96330298      -0.35203175 
O       1.32494004       3.54476003       8.48195998       0.27015543       2.93892543       1.76202917 
O       3.24571999       5.66344003       9.47830999       0.04571477      -2.24940336      -1.91320611 
O       8.72933001       7.32566004       8.80088995       2.28510469      -3.48699734      -0.45824220 
O       5.09220005       3.21496002       1.16112001       1.51820910       0.80830418      -1.17120020 
O       5.64747003       3.56711001       3.59908002      -0.53079775       0.41961562       1.56051639 
O       3.41487997       5.41862000       3.86598003       0.88712135       1.99301775       1.26413076 
O       0.07611464       9.05838004       9.07422004      -1.13448305       0.47118248       2.08055010 
O       5.60650999      10.75740001       8.55009005      -0.14410898       0.50890261       1.28520494 
O       3.03643996       1.95774995       9.95707996       0.41938662      -0.79285296      -0.17620098 
O       3.43739004       1.23403005       1.77146999       0.20242286       0.39061225       0.99339421 
O       5.32847994      10.51850000       0.82881800      -3.74608421       1.45597398      -0.76336214 
O       5.11301005      10.37709995       3.59556001       0.84176394       2.20960807      -0.51052804 
O       3.69077005       1.89510000       6.98916004      -2.98226482      -0.05114431       0.98787536 
O       0.41019502       8.64895002       6.74446003       0.79123021       0.43725187       1.88236246 
O       2.29148002       6.77017998       6.28881997      -6.45098662       0.49322590       1.70512255 
O      10.67189997       5.58402997       1.48304004      -0.37505781      -1.95232205       0.56006810 
O      10.78780001       5.34467997       9.36850001      -0.49850408       1.54273961      -0.85059374 
O       7.24030003       9.25940995       6.76132995      -1.43066488      -2.02938610       2.92928050 
108
Lattice="10.96661436 0.0 0.0 0.0 10.96661436 0.0 0.0 0.0 10.63929755" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.020446409705843088 -0.009264026055122923 -0.008228353446711335 -0.009264026055122923 -0.01803740831992048 -0.0005543788733831961 -0.008228353446711335 -0.0005543788733831961 0.008277820352526269" pbc="T T T" energy=-1055.49564861 free_energy=-1055.49564861 config_type=crystal 
Hf       1.79772002       1.62071997       2.48797005       0.51673717       0.15231323      -3.19742159 
Hf      10.72360000       7.13696000      10.25790001       0.36382912      -1.46397788       2.06593865 
Hf       1.71924995       9.09357003       8.01030000       3.19574095      -4.43241493       2.78987876 
Hf       6.81394002       3.36064001      10.40040000      -0.31374244       4.30151718       0.42955317 
Hf       9.28773997       5.47827997       2.50120001      -1.50829818       0.19044943      -0.71044248 
Hf       3.78517005       7.02847002       5.28271999      -1.71411335      -1.08109628       0.22361014 
Hf       3.73742996      10.52400005      10.56020001      -1.27737554       1.92210884       2.62304297 
Hf       7.28464005       0.07535863       5.43120000      -0.30098296      -1.03748464       0.15496720 
Hf       5.57825997       1.51954999       2.56023003      -1.86898172       2.36733202      -1.87931075 
Hf       5.41859001       1.90545001       7.76326998      -3.23150230       0.38258549      -0.46401173 
Hf       1.48828000       8.79428005       2.42693995      -2.06515751      -0.76784978      -1.01908647 
Hf       3.36889996      10.60959996       5.02567998       4.95593413       1.71937274       3.92899921 
Hf       3.50660006       3.41085000      10.20759997      -0.25997520      -0.35887279      -0.73349783 
Hf       7.48865998      10.85080000      10.48810005      -1.48082154      -2.41612669       2.29542494 
Hf       8.98464995       1.72941995       2.31759000      -0.19781487      -2.91855683      -0.42834405 
Hf       5.47864001       5.82128003       8.02257998      -3.78374885      -1.80469674      -0.54556042 
Hf       3.41224999       3.17269001       5.23111003      -0.35559128       2.05143212       2.42946574 
Hf       0.15385601      10.64410005       5.28530002      -4.54521490       0.23950108      -0.87948955 
Hf       9.11236001       1.88927996       7.95855003       1.18133103      -2.12382972      -3.13266021 
Hf       5.61187001       9.33212998       2.81072995       1.25715380      -2.26276952      -4.14763020 
Hf       3.32127995       7.20011004       0.19285301       1.91760880       3.26175979      -3.99504253 
Hf       5.20523003       5.29164004       2.49728997       2.03201205      -2.26125272      -1.38410350 
Hf       8.85773003       5.46616998       7.35428995       0.33631784      -0.47388658      -0.49098076 
Hf       0.11409995       7.19982995       5.34504999      -1.69765475      -1.61165490      -1.01362048 
Hf       5.19452003       9.30618001       7.78651003      -0.54906900      -0.10549476       0.50110439 
Hf       6.97431995       3.71118005       4.75943997       0.52926803      -5.38352204       5.29479741 
Hf       6.94418995       7.05711998       4.99298000       3.31484670       2.08849296      -0.91092658 
Hf       0.14640397      10.92590004      10.38280005      -2.94981408       1.12676968       5.31702927 
Hf      10.77509999       3.15643003       4.97091005       0.13015605       1.28110264       2.15398514 
Hf      10.77139996       3.63329000      10.48399998       2.63153116       0.96114402       0.37932667 
Hf       1.74838002       5.44787997       7.84703997       0.94917755      -1.30466595       0.82804203 
Hf       9.16079999       9.15335004       7.89122998      -7.38633770       1.57203291       3.54773508 
Hf       1.64378001       1.55259996       8.15843998       1.79216916       4.19340928      -3.76367696 
Hf       7.17975995       6.95374000      10.45779996       0.08177120       1.30707910       0.40125048 
Hf       8.98308995       9.16040003       2.77236996      -0.87410522      -0.24589926      -1.77885273 
Hf       1.79287004       5.17967003       2.62694002       1.02259089       1.72103364      -2.75959184 
O       6.91347005       5.20481001       9.18780000       2.40847710       0.56496802       0.98408063 
O      10.41590005       5.54561005       4.15316002       1.04508257      -0.05105862       0.83220841 
O       7.36118998       9.26646003       1.57739002       0.48583168       1.08905568       0.68833592 
O       5.22906004       7.58817005       6.47901005       0.95187893      -1.83243348      -0.97148672 
O       8.45111999       7.20490004       3.38012005       0.16450893      -0.29339634       0.07444425 
O       5.75940003       7.53476001       8.87031995       0.56340788       0.07401970       1.13012183 
O       7.19317004       1.70307003       1.20344999       0.89754020       1.52679794       1.81410289 
O       6.58544995       1.64700003       9.57904995       0.65382577      -0.68749451      -1.45074557 
O       8.97287005       6.73187004       0.91785305       1.21992159       1.58377411      -2.20790119 
O       3.40972000       9.40563996       6.85507996      -0.90651182       0.45168311      -1.56563669 
O       7.29638003       1.81780001       3.98418000      -0.85453586      -0.57083350       0.12237796 
O       7.46527005       9.28022006       4.09663003      -4.64465796      -0.09102094       3.72580214 
O       9.25440004       0.12426205       1.07827004       0.08192658      -0.16617310      -0.93174793 
O       3.60437005       8.99404000       9.24226001      -2.51824270      -1.95703821       0.91922852 
O       7.63385006       8.98014004       9.77228002       1.23561645       0.16569884      -0.99501973 
O       9.10408000       0.09678059       9.35716995      -0.87698450      -0.93987367      -4.11079451 
O       8.94728998       0.03844610       3.55628000       0.85609432       1.85904174       0.72938272 
O       5.23141995       0.08603583       6.29143998       2.10451881       0.76422743       0.60867132 
O       1.69776997       3.33105998       6.75389003       2.37122538       2.13609618      -3.58467285 
O       7.24187003       1.81388997       7.21332000       2.34016037      -1.88269360      -2.04858778 
O       8.83235000       3.69176004       5.95459003       0.85464037       0.28075781      -0.73906952 
O       3.15003002       9.03725998       1.43927002       0.23686780       0.36208837       0.04289628 
O       7.32581003       4.95486003       3.52981996       0.87411740       4.42244366      -2.00344746 
O       9.40443001       3.24201996       3.48553995       1.29123722       0.97072472      -0.13432899 
O       9.11796000       4.02296002       0.60676499      -3.06630919      -1.30303500       0.85689782 
O       6.81231005       5.47364000       1.11125005      -1.17383622      -0.39344628       0.54831364 
O       8.89641005       3.68539996       8.40226002       0.50117687       1.08840464       2.54727680 
O       5.25479002       7.96947002       1.26192996       0.58856330      -0.92872250      -0.61575966 
O       3.76909003       5.88813997       1.41572004      -1.50297009      -1.95604801       3.57452126 
O       4.51786995       8.96133997       4.58148995      -2.06811951      -0.81442698      -1.21742948 
O       1.49012996       6.95583002       3.62689004       1.05526611       2.47003708       0.47048615 
O      10.76379999       9.00322005       4.23899000      -0.25464541      -1.84580673       0.63185440 
O       0.06568563       5.50001997       6.82171002      -1.98987819       1.23088781      -1.28449984 
O       8.72062005       7.10691005       5.95553001       2.81785707       0.63282858       1.19787479 
O       9.26270999       0.03287265       6.22775995      -1.02597799      -0.94400226       1.14634709 
O       5.06490003       3.78352001       8.80721998       1.42279625      -2.16981685      -1.51101996 
O       6.90556005       5.69986996       6.45182005      -0.05767144      -2.06753842       0.15263082 
O       1.83803999       7.24340996       9.07976995      -1.64419786      -0.82505387      -2.04378175 
O       1.48630996       7.14300995       0.79109497      -0.66035437       2.08300061       1.81118000 
O       3.34434000       1.92658005       3.74189000      -0.32571095      -2.07572797      -0.66643036 
O      10.96659999       1.92994998       6.80447999      -2.60139224      -1.10727202      -0.27664629 
O       1.21617001      10.43330001       6.80607004       1.17742304       4.42192854      -1.49510355 
O       1.79605003      10.80060000       9.25883997       1.33680120       1.25870831      -0.45370989 
O      10.90007662       2.06686004       1.32698000       1.00429397       0.61950011       0.93133018 
O      10.62194540       1.67779001       9.37808000       3.52771245       2.13202669       0.28904526 
O       1.73424000       0.03588561       1.15365999      -3.30725966      -1.22273540       0.47615421 
O       1.88502996      10.27049996       3.81232002       0.40861546      -0.40683395      -0.08289208 
O       0.48893904       1.16355998       4.15094003      -0.36280471       4.28813501      -0.95453219 
O       1.54347004       3.76103998       3.84667995      -2.51784901      -3.65445347       1.80271574 
O       5.33018001       6.75281003       3.80251995       0.24441872       1.17057126       1.35593802 
O      10.58090000       8.96518004       1.61434998       2.83708458      -0.61407120      -1.30906817 
O       2.22444996       3.97418995       1.02749995      -1.51490490      -1.25982168       0.90298150 
O       3.62456003       5.43155002       6.74608004      -0.07230016       0.97124484      -0.25962199 
O       5.47418000       3.39891997       6.16625002      -1.94651674      -0.98695356      -0.68248514 
O       1.84716004       3.46885001       8.98532001      -1.70479825       0.12257739       1.37400992 
O       3.86853002       5.63747003       9.64341004      -0.75626368      -0.22481228      -1.49993796 
O       8.96586995       6.87690001       8.84364000       0.64185202       1.93239491      -0.47230240 
O       5.08141004       3.63641998       0.63494498       2.92709719      -0.57205627       3.09576448 
O       5.36252001       3.36855999       3.44982000       0.22719979       0.49912040      -0.73613419 
O       3.54961002       4.96950002       3.93929003       0.24727198       1.71026111       0.78172294 
O       0.08308559       9.25496998       9.42933003      -2.50564316      -3.40207363      -0.31113801 
O       5.18899999      10.54580003       9.35010003       4.25299086       1.75352396      -1.66942148 
O       3.66482001       1.69711998       8.96355999      -1.18074844      -0.87409016       0.39438489 
O       3.42274998       1.50311005       1.06952996       0.88531390       1.57406915       0.37560443 
O       5.37381003      10.85510001       1.21947001       0.33775635      -0.47946788       1.23993149 
O       5.18149005       0.13474800       3.81339001       0.07029081      -0.57452257       0.51007323 
O       3.30903003       1.39207998       6.30254996      -1.36452382       0.12963623      -0.02877191 
O      10.66819995       8.73059001       7.05914999       3.51235173      -2.89908359      -3.18864143 
O       1.86678996       7.36806999       6.31503996       0.36203763      -0.04144843      -0.41909034 
O       0.16400999       5.45642000       1.36857998      -2.21042414      -2.00110388       1.18867062 
O       0.06502961       5.37553004       9.34096003       0.22636274      -0.38745048       0.64175211 
O       6.98124998       9.64247003       6.98366002       4.51874543      -0.62172681      -0.17715826 
108
Lattice="10.96883345 0.0 0.0 0.0 10.96883345 0.0 0.0 0.0 10.64145042" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.010229417504429985 0.0008908672124346106 0.005167586932997393 0.0008908672124346106 0.007050792929658009 -0.0161617038120745 0.005167586932997393 -0.0161617038120745 0.012527235087214176" pbc="T T T" energy=-1062.79873161 free_energy=-1062.79873161 config_type=crystal 
Hf       1.53501003       1.76486995       2.45328998       0.97765708      -1.67013291      -0.97703592 
Hf      10.62949997       7.43457001      10.49250002       1.59211533       0.55804028       1.38160037 
Hf       1.74177002       8.93145995       7.71055001      -3.80850216      -0.50115155       2.44634487 
Hf       7.21039996       3.42958994      10.34250005       1.48005701      -3.03325264       3.33212985 
Hf       9.10883004       5.49487002       2.57081001      -3.74964033      -1.91699592      -3.52102189 
Hf       3.65373005       6.97651997       5.09467005       2.02446987      -0.59204377      -0.57470396 
Hf       3.47216997      10.65080002      10.49620005       0.22707592       0.90732754       0.57793628 
Hf       7.33840998      10.66740003       5.11122996      -1.25660675       3.12344546      -0.03225144 
Hf       5.34606003       1.57171998       2.43991996       2.94293116       1.39407396      -0.72707363 
Hf       5.45050998       1.56609999       7.67206999      -0.25530105       0.82527835       0.59284527 
Hf       1.64359995       8.83697003       2.58157001      -2.17777793       1.32854669      -0.89721992 
Hf       3.50822003      10.80499999       5.24443005      -0.11542591       0.05438440      -1.44513687 
Hf       3.52044995       3.10578000      10.61979996       0.89237997       2.09551749      -1.10205602 
Hf       7.34059003      10.80519995       0.02829104       0.33060759       3.62493063       0.40950072 
Hf       9.10896002       1.69801995       2.50163005      -1.51007122      -2.35925606      -1.51346418 
Hf       5.31422003       5.34004998       8.15281997       1.73027000      -0.44100376      -1.47027468 
Hf       3.50023000       3.36805994       5.09603003       2.76022055       0.52404123       1.63676070 
Hf      10.77889998       0.03412240       5.27318996       1.20460338      -1.42029264      -1.30956981 
Hf       9.13079996       2.10288003       7.53092999      -1.09829962      -4.70475639       2.34887570 
Hf       5.29036994       9.02379998       2.55900002      -0.21848456      -0.99389085       0.21006027 
Hf       3.53160997       7.16026000      10.48199999      -1.45780367      -2.04039546       1.96785045 
Hf       5.39908995       5.47363996       2.35631998      -0.34908086      -1.74718608       0.55028865 
Hf       9.10563998       5.40837002       8.12789003      -1.38377774       1.79497213      -1.36842643 
Hf      10.77350003       7.15010999       5.43274999      -0.51915005      -0.31738560      -0.55419639 
Hf       5.48918005       9.06117002       7.82118002      -3.60416108      -0.34199863       2.17286021 
Hf       7.20803004       3.58303998       4.97288003      -2.71745156       0.68557900      -0.92250319 
Hf       7.15548998       7.15483997       5.44354000      -1.87714271      -3.43273414      -0.72672239 
Hf      10.76550002      10.94800002      10.22110004       0.71387242       3.54163694       1.08377958 
Hf      10.62089997       3.43637000       4.90261996       1.49540159       2.28269642       1.64551068 
Hf       0.02025253       3.68093001      10.57510002      -1.10408812       0.14550328       0.84415649 
Hf       2.03270999       5.37247002       7.74824000      -0.32347433      -0.18517933       0.95827014 
Hf       8.78816004       9.10843001       7.91476998       0.66796679       2.85325579       4.85596819 
Hf       1.88831002       1.89292000       7.82738004      -0.86051648       1.35996525       1.12936507 
Hf       7.10117002       7.19017003      10.48409997      -0.36096181      -0.72534948       3.40217856 
Hf       8.95783999       8.98830999       2.66303999       3.60087673      -1.82764194      -1.68175581 
Hf       1.57922003       5.34991996       2.51518002       2.26552438      -0.17241163      -0.85331900 
O       7.15602998       5.21466997       9.64857000      -1.16085259       1.99845062      -0.71379216 
O       0.67870304       5.08400999       4.47190002      -1.67842255       1.98722291      -1.39101863 
O       7.38635003       9.14101995       1.43427001      -1.14416379       0.24962939       0.48231118 
O       5.13041002       7.21517996       6.51501998       3.85787294       2.32194146      -0.58232867 
O       9.49428999       6.90404999       3.74988995       1.25184325       2.16713907       0.50393861 
O       5.50796001       7.05785003       9.20290999      -0.85884124       1.31557182      -0.91492706 
O       7.46709995       1.58488005       1.43323002      -2.87794689       0.88085773       0.47319543 
O       7.01669003       1.49818996       9.46995996      -2.14439685       2.31919591       0.06184841 
O       8.96620998       7.20872996       0.94290498      -0.08248909       0.54019811       0.86345790 
O       3.43429996       8.92609005       7.07440995       4.47905149       1.36187801      -2.00049326 
O       7.59424003       1.82277003       4.12064000       0.47637113      -4.28352882       1.36941267 
O       7.61632994       8.78780004       4.18050997      -0.96957142       0.99568602       1.26320932 
O       9.20164996       0.26795105       0.84309902       1.09718605      -1.81249453       0.41131215 
O       3.78231001       8.85334003       9.53765001      -0.25149346       1.59539008       0.40528525 
O       7.01324999       9.37702998       9.37655005      -0.31847774      -2.81510460      -1.44447277 
O       8.92921002       0.24628300       8.86138999       1.80090942      -0.91287328      -0.75806828 
O       9.46712995      10.72070001       3.54655003      -1.76229848       1.70323724       0.61130659 
O       5.41489999      10.82179997       5.92877003       1.02795269      -0.73034533       1.65996678 
O       2.13241998       3.75991000       6.58282996      -1.13801565      -1.97833171      -0.98169650 
O       7.21851997       1.40724002       6.88603000       1.75103447       0.91368016      -1.00886047 
O       9.06657996       3.50513000       6.15856002      -1.09427770       1.13146140      -0.88475350 
O       3.43219998       9.53216998       1.91808004      -0.38574659      -0.62844701      -1.75377034 
O       7.54953995       5.44018995       4.11207002      -0.00361690      -0.01951754       2.33273166 
O       9.16392002       3.43421002       3.39613005       1.41169166       4.56990927       1.27610284 
O       9.03298001       3.83165001       0.64989104      -0.24897898      -0.14013179      -0.67990335 
O       7.26347003       5.66686002       1.62617995      -0.57381509       1.13531623      -0.71930670 
O       8.53619003       3.53061005       8.74802002       2.52408962      -0.33723809      -1.81216360 
O       5.19097005       7.52687000       1.11442004       1.09695238      -0.28395728      -1.19098703 
O       3.40787001       5.88915999       1.45250999       0.71232822      -1.99953095       2.56093496 
O       4.25413997       8.88698001       4.42676995      -1.88051287       0.86911893       0.18248055 
O       2.24001996       7.09848002       3.20346999      -0.25716151       0.68459111       2.44402191 
O      10.85529999       8.87515002       4.16936997       1.77704372       0.29086447       2.35992886 
O      10.94269998       5.46268999       7.08590996       0.28386000      -0.08309538      -0.04291390 
O       8.94087998       6.78430005       6.26676005       0.49708198       0.61407117       0.71648105 
O       9.02254997      10.89070004       6.35225995       1.37558351      -0.07912737      -2.14560351 
O       4.80495003       3.39121998       8.39128998       1.51009241      -1.03278347       2.24464922 
O       7.08631997       5.37970001       7.00352002      -0.37108212       0.05949907      -0.12046569 
O       1.41007996       7.24813999       8.91146004       1.67551129      -0.27955925      -1.82331116 
O       1.42153997       7.39979003       0.77210001       2.95265947       1.07272804       0.57187159 
O       4.16810000       1.62666001       4.01807004      -2.07878508       0.10989328       2.76261817 
O       0.14887098       2.09264995       6.47470995      -0.91968592      -1.94415678       0.72991919 
O       1.58610999      10.62590000       6.46864997      -0.99502281       0.94538085      -2.15668109 
O       1.50828996      10.28539999       9.15621999       1.41931066       0.81168782      -0.05519578 
O      10.72260003       2.29370000       1.35889002       1.32090754      -0.10951813       1.68214334 
O       0.23320201       1.93612996       9.26697004      -1.34759985       0.58475328      -0.37545076 
O       1.45455002       0.55723396       0.87430604      -0.38344196      -2.26102702      -1.04535531 
O       1.88719997      10.92740000       3.60465001      -0.19468885      -0.32055912       1.47452427 
O      10.86559994       1.78753002       3.99524998       0.90363606      -3.23989608      -0.97112855 
O       2.14451005       3.31110998       3.68268004      -1.86168460      -0.20814855      -1.60149390 
O       5.58856997       6.96330999       3.64429995       0.05947882       2.17271795       1.07111586 
O      10.81060002       9.01020005       1.62796005      -0.50717513       0.48266912      -0.08560146 
O       1.90690998       3.65303002       1.15371998      -0.65645542      -0.25507143      -1.02898629 
O       3.93743004       5.39752996       6.73195999      -3.66608276       0.11333665       0.87974846 
O       5.39794996       3.26468001       5.93122001       1.32533377      -0.46058123      -0.70765582 
O       2.26023003       3.55604995       8.98053997      -2.55113265       1.23467803      -0.14570846 
O       3.56193002       5.27341004       9.84123995       0.82470557       0.69623066      -2.91247081 
O       8.40829003       7.20571002       9.04697997       2.96878415       0.91122432      -2.97528491 
O       5.62577000       3.75381001       0.89581698      -3.65479236      -1.24370036      -2.06173256 
O       6.19825996       3.50835001       3.12063002      -1.76741226       0.50718072       1.31579501 
O       3.94822996       5.11899004       4.18722005      -0.33499515       0.45461008      -0.60996581 
O      10.29350003       9.25294000       9.61203003      -1.83858186      -4.19896451      -0.81832649 
O       5.00573003      10.88619996       8.80912004      -0.37185044      -0.41679095      -1.98823955 
O       3.10021003       1.46334999       9.56231998       0.44819824      -0.31587565      -0.49567736 
O       3.57500004       1.43197002       1.52144999      -0.62837841       2.69272785      -0.98761182 
O       5.37929998      10.95200002       0.78966298       0.28694103      -0.80106761      -0.24284702 
O       5.59698997      10.81079998       3.36801001       2.60576010      -0.97880460       0.97460053 
O       3.45954002       1.48608004       6.66554000       0.50202951      -0.75201019      -0.69442462 
O      10.39029999       8.82086998       7.06409999       4.69164242      -1.59041248      -2.86085252 
O       1.83731997       7.19402997       5.91826000      -1.05334308       0.01746833       1.39810253 
O      10.84350005       5.60574003       1.40367999       1.49655378      -2.04506779       2.36951389 
O      10.62380002       5.61322999       9.64544003      -1.31913921      -2.79485741      -1.40303472 
O       7.22567999       8.92526003       6.77584001      -1.23829991       0.16424303      -2.12951649 
108
Lattice="10.97116097 0.0 0.0 0.0 10.97116097 0.0 0.0 0.0 10.64370846" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0015599611850234286 0.00195817246942067 -0.009072175527528457 0.00195817246942067 0.0037479016807782897 -0.0020633511044177637 -0.009072175527528457 -0.0020633511044177637 -0.0077104666424552045" pbc="T T T" energy=-1060.4397027 free_energy=-1060.4397027 config_type=crystal 
Hf       1.73591995       1.59275003       2.43987996       0.30652187       3.71760684      -0.16492179 
Hf      10.68340003       7.03083000      10.18470002       0.93229860      -0.16781974       4.55737257 
Hf       1.91914997       9.10158002       7.50102996      -0.48607923       1.44051817       2.70285990 
Hf       7.03909995       3.46765002      10.49559998      -1.87011325       2.29533367      -0.59851242 
Hf       8.91641996       5.17595995       2.58884004      -0.45912886      -2.79881299      -1.83814363 
Hf       4.10456004       7.07284000       5.47725003      -4.30381063      -0.13750004      -1.09135784 
Hf       3.63514004      10.73790004      10.33669995       0.33635087       1.59298409      -0.35428052 
Hf       7.21684998      10.96564752       5.29150998       0.58166485      -2.74466145       0.25036857 
Hf       5.28818001       1.99201998       2.62649003      -3.87419979      -2.76194306      -1.90217173 
Hf       5.13588998       1.79668998       7.95325996      -1.21567785       0.39446329      -1.14081442 
Hf       1.53663002       9.25489004       2.49899001       0.74053478      -1.72340838       0.28761472 
Hf       3.68784001      10.59330003       4.89018001       0.68518368       1.89198591       1.76728060 
Hf       3.30752999       3.91126003      10.51580004       0.45181546      -1.87327339      -0.93635458 
Hf       7.11101997      10.75009998      10.41499997      -1.58939821      -1.91608609       0.75987043 
Hf       8.69693003       1.41447997       2.50850995       1.57241842       0.76038685       0.62228669 
Hf       5.45725997       5.35901004       7.91786994      -1.62769462      -2.52816682       0.48519228 
Hf       3.27643004       3.38493997       5.00972003       1.04293220       0.81219322       2.57938787 
Hf      10.87740000      10.93210002       5.23942999       0.63286358      -0.78791389       0.45874464 
Hf       8.78597000       1.50956998       7.92412004       1.17423239       2.76667071       1.09659765 
Hf       5.14162998       8.76273001       2.48437002       4.11484355       2.52217754      -1.41072153 
Hf       3.61815998       7.31736995      10.61629995      -0.12177780      -0.17399480      -0.64948717 
Hf       5.27912002       5.34175997       2.67609004       0.68472358       1.18026100      -0.91262908 
Hf       9.21344999       5.12497005       7.61994999      -2.72040992       1.46797657       1.36749068 
Hf       0.38558398       7.03155004       4.95721004      -1.29323991      -0.17677227       0.46851642 
Hf       5.61874997       8.89952996       7.50972002       0.61750421       1.15446602       4.94655400 
Hf       7.06304001       3.61653998       5.14892004      -2.01638575       0.56545300       3.89715447 
Hf       7.81871997       7.20087005       5.11050999      -4.46891766       0.23782790       0.24134693 
Hf      10.71070001      10.88289995       0.24014601       2.12538118      -0.48660423      -0.89807560 
Hf      10.87490000       3.45793999       5.36545001       1.64538070       1.14934703       0.13783725 
Hf      10.44640003       3.73059002      10.52759997       5.54273375      -0.84275209      -2.14044773 
Hf       1.57601002       5.63537995       8.02947998       2.00530038      -1.91198107      -1.64278071 
Hf       9.39236998       9.00521000       8.15009001      -3.81923827      -0.42686348       0.18483445 
Hf       1.68550999       1.89604997       8.05535004       2.46805654      -0.18699450      -0.09102654 
Hf       7.42968996       7.13678004      10.34489997      -4.67977461      -1.82565867      -2.88420608 
Hf       8.92335998       8.85036995       2.59687998      -3.57855382      -0.21848084       1.52871744 
Hf       1.55042000       5.53946995       2.25339995      -1.65514792      -0.79379310       0.99191689 
O       7.64262999       4.98870999       9.07459997      -1.02616761       0.96199290       2.10371243 
O       0.42977801       5.09629001       4.05623002      -1.04279674       0.63208047      -0.83496177 
O       7.31646999       9.46481004       1.57691001       0.83602635      -0.25941848       0.09499786 
O       5.83390003       7.37891005       6.17440996       0.57160999      -0.09528409      -0.59652680 
O       9.22336002       6.87831002       3.44387001       0.05950692       2.44066671       1.48594284 
O       5.76497997       7.02495001       8.77383996      -0.32966360       1.75928129      -0.32229225 
O       6.89248004       1.59933997       1.50804000       0.79907061       1.38664086       1.21565101 
O       7.07340995       1.67610003       9.67678002       0.50273513       0.68318966      -1.78717518 
O       8.81928996       7.37935998       0.91182298       2.64969747      -0.03968941       1.92875590 
O       3.73362004       8.97157001       6.75442001       1.31634796      -0.00497241      -2.09582295 
O       7.33896998       1.74401996       4.35872996      -0.98709834       0.77280278      -1.79755459 
O       7.38803005       9.14963996       4.36479996       1.26550478      -1.22143572       0.27524000 
O       8.95854998       0.45326101       0.65078603      -2.79959073      -0.47725011       0.69883064 
O       3.57263997       8.80765999       9.33883004      -0.38510351      -0.14864423       0.69548928 
O       7.39083998       8.75936998       9.25391996      -0.45883372       1.43324378       2.79075415 
O       8.61016000      10.75029998       8.85395004       0.87955998       1.26418520      -0.94181445 
O       9.03875005      10.78279996       3.78947995       0.28544448       1.48306634      -1.43246423 
O       5.40185999      10.88119997       6.40654998       1.49532227      -0.29286492      -2.45176263 
O       1.95609996       3.51501998       6.50865997      -1.88698834      -0.27873222      -1.13808336 
O       6.98132999       2.42988999       6.95813995       1.55246578      -2.40285197       0.99912474 
O       8.98331003       3.85391004       6.06403002       0.90995887      -1.09016494      -0.82188644 
O       3.40113999       8.60128005       1.61793001      -0.41943515       0.19221266      -0.66826526 
O       7.25716999       5.29036996       3.94530001       1.96803609      -1.07439618      -0.03037846 
O       9.39407995       3.30425005       3.34646996      -1.18852827       1.17363074       1.15696491 
O       8.98270003       3.58585002       1.01136997      -3.82140715      -0.13038262       0.72893772 
O       6.72710997       5.31439998       1.09330002       1.75581719      -0.94267428       1.55154192 
O       9.33324003       3.34323003       8.91627002      -1.28265263      -2.73321890      -1.58856649 
O       5.52290997       7.44749001       0.65068396      -0.52877947       0.67816573       1.44890121 
O       3.42228997       5.42165998       1.82143995       2.67551466       1.66327121      -2.06209302 
O       3.89225995       8.69568996       4.05767000      -1.22129038       0.13112925       1.94405231 
O       1.53771002       7.41180005       3.29703004       0.02783223      -1.92476318       0.45308917 
O      10.84869999       8.97542999       4.33482004       0.16426835       1.12410484       1.22579985 
O       0.37734101       5.39262996       6.49547998      -1.76874884      -0.58615095       0.85677391 
O       9.34021001       6.66332002       6.14859002       0.52507386       1.35304502      -0.48968923 
O       9.12361000       0.51052696       6.19586001      -1.51288873      -0.88281485      -0.30412734 
O       5.26188005       3.79543002       9.31048999       2.33205521      -0.83732393      -1.90511369 
O       6.97508004       5.35851996       6.73190995       3.17109687      -0.68512748      -2.89926147 
O       0.96877096       7.38014002       8.77722998       3.17184062       0.39787913      -2.66821161 
O       1.56812000       7.24833996       0.62801903       0.85443493      -0.76175798       0.20181501 
O       3.89903004       1.64241001       4.36200002       0.58220656      -1.84891567      -1.75900859 
O      10.93810003       1.86488003       7.12172002      -1.80969191       0.43330381      -1.93012962 
O       1.74850004      10.67720001       6.17217999       0.50049907      -0.04663021      -2.04894247 
O       2.14758995      10.85183500       8.77179999      -0.50977069       0.14332927       0.02836021 
O      10.66800004       1.29365995       1.96855995       2.66435741      -0.03118706      -1.00487232 
O      10.88130003       1.34915000       9.56677995       0.90896514       0.90600645       0.89545826 
O       1.98847004      10.61379998       1.09189995      -3.05379326       0.19700765      -2.30271376 
O       2.00454005       0.00203899       3.50183000       0.14738689      -2.78407384       2.44742055 
O       0.48754501       1.93169999       4.33872000       0.03436012      -2.27141287       0.63307163 
O       2.32715000       3.61136005       3.22279997      -0.11615317      -1.70358653       0.88684016 
O       6.10764005       7.23001998       3.50077000      -2.54241781      -0.80737983      -1.36262921 
O      10.58380000       9.38282003       1.99363003       2.52469609       1.37241453      -3.29736139 
O       1.48877996       3.85897005       1.09410000      -0.40210365      -2.07913462      -3.04013689 
O       3.31047004       6.02155999       7.03655002       2.33093412      -0.07506200       0.23629657 
O       4.88862996       3.58787003       6.34262004       1.94047361       0.98323396       0.30871291 
O       1.53035002       3.81091998       9.04404998       1.06804868      -0.89426124       0.66463177 
O       3.77842000       5.52998999       9.35401999      -3.44933855       1.18998469       3.03742651 
O       9.33665996       7.08641999       8.78438000      -3.62954515       0.33414292      -1.92406837 
O       4.89794996       3.48220996       0.96153304       2.41075979      -0.75137173       3.09183142 
O       5.28952002       3.69217999       3.76678001       2.12723901      -1.76127689      -0.91761443 
O       3.82048003       5.34726004       4.53487003       0.59865596       2.29163263      -0.99244436 
O      10.43430004       8.98940999       9.86999004       0.07243230       3.48818940       1.08350321 
O       5.41516999      10.75880000       8.91322996      -0.15944279       0.48704079      -0.57994927 
O       3.65601004       2.00687998       9.43344994      -1.22109397      -0.66163769       0.93039078 
O       3.49543997       1.36386002       1.44815998       0.55591747       1.41573570       1.22960949 
O       5.33161999      10.64990003       0.76359604      -0.94990654      -1.13072263      -0.54526094 
O       5.23903996      10.70590002       3.32104002      -0.04911303       0.78363697       1.63384673 
O       3.48116002       1.64201998       6.84709999      -0.52493163      -1.01281406       1.34851174 
O      10.89469999       9.31585996       7.02384005      -0.29020385       0.91769636      -1.13728125 
O       1.77418001       7.56073005       6.19084001      -0.07216657       0.02868356      -1.45367811 
O      10.75670001       5.57282996       1.02786995      -1.98592197      -1.02734212       1.95452004 
O      10.52039996       5.22200997       9.16237002       2.22558560       0.78235594       0.72622580 
O       7.44996005       9.04830000       6.96031999       3.08263686       1.00557373      -2.53690354 
108
Lattice="10.97367048 0.0 0.0 0.0 10.97367048 0.0 0.0 0.0 10.64614308" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01958599776242597 -0.007074862192371844 0.0008811717332980821 -0.007074862192371844 -0.007992997796713325 -0.010659113794503324 0.0008811717332980821 -0.010659113794503324 -0.007234638378515528" pbc="T T T" energy=-1059.50454806 free_energy=-1059.50454806 config_type=crystal 
Hf       1.99970004       1.86972997       2.58141002      -0.39453902      -2.93143634      -1.42255667 
Hf       0.11490004       7.30576995      10.42969996      -0.46926385      -4.38573272       2.08890736 
Hf       1.98268997       8.98899998       7.92965000      -2.34251110       2.21991798       0.01493774 
Hf       6.98768001       3.26650001       0.16833596      -0.27369556       3.28821171      -0.08213308 
Hf       9.01399998       5.34786994       2.53555996       1.72530550       0.49538146      -0.49024793 
Hf       3.47626995       7.23465004       5.01834997      -1.90902228      -3.25289625       1.58842410 
Hf       3.57190000       0.03522954      10.62197846       0.76409557      -1.04747907       0.12789510 
Hf       7.24200997      10.80570002       5.02020996      -2.85101983      -0.23778417      -1.15283404 
Hf       5.43396004       1.60339998       2.60119002      -2.14131124       0.52311149      -0.60239517 
Hf       5.20618998       1.85592004       8.15247995      -1.06943231      -0.96751581      -0.89295319 
Hf       1.42258999       9.17598002       2.51866996       1.98223658       0.60292985       3.09770998 
Hf       3.58036004      10.49470005       5.07785999      -0.09823358       4.35775240       0.35994068 
Hf       3.45561004       3.68578004      10.46389995       1.74581570      -0.38381456      -1.73313427 
Hf       7.33117005      10.81399995      10.41130002      -0.20476657       0.11530994      -2.12213828 
Hf       9.09578005       1.83724999       2.26565000       1.46511370      -1.46845348       1.90574311 
Hf       5.45844998       5.07927005       7.96281998      -0.47368224       3.37849846       1.38188774 
Hf       3.34331998       3.37959005       5.17265996       0.82671679       2.17113270       1.29216911 
Hf      10.90197543      10.69840002       5.53481002      -0.55032605       0.72378933      -2.36811680 
Hf       8.65597004       1.99445001       7.89797996       2.42139536       0.04502876      -1.14889758 
Hf       5.53587998       8.95304003       2.26474997      -0.57187962       1.38748918      -0.51273021 
Hf       3.93457005       7.11434997      10.39869999      -1.17544602       0.88137935       1.77597567 
Hf       5.45953000       5.53006997       2.56388998      -1.91135222       1.16168448      -0.65074728 
Hf       9.18069003       5.64888003       7.61654002       1.84213072      -3.47970356       1.58153932 
Hf      10.76480005       6.83983998       5.01384005       2.15055747       0.41883070      -1.59047933 
Hf       5.13645999       8.80265005       7.88287000       3.44543630       3.24177193       1.84675929 
Hf       7.21093999       3.54637996       5.26127004      -1.05457269       3.00330558      -0.61470720 
Hf       6.81163995       7.12964002       5.50716997       0.80972951       0.19434094       1.04489253 
Hf       0.09458294       0.04782951      10.51649999       2.55912291       1.05079206       0.39304949 
Hf      10.81420000       3.12969005       5.28203002      -3.16877604       0.52125878      -2.21901542 
Hf      10.91560001       3.53107005       0.09431258       0.92731693       1.75395448      -3.70489273 
Hf       1.58013996       5.26579995       7.80065995       1.44201648       1.40379542       0.64273163 
Hf       9.05943997       9.06137002       7.86584000      -1.79897785      -1.53760834      -2.87909786 
Hf       1.60964004       1.70551996       7.89260004       1.09800098       0.54674876      -0.09702533 
Hf       7.39375004       7.16217004      10.23160005      -0.01011586      -1.22835338       1.88333601 
Hf       8.96124998       9.04856002       2.49151005       2.64745824      -5.32595158      -0.47890084 
Hf       1.85855998       5.46713004       2.19942002      -0.73338027       0.57191779       2.53027416 
O       6.98926998       5.15372004       9.72171005       0.04628362      -0.14568275       0.23329701 
O      10.94820004       4.82951995       4.17088004      -2.04606749       2.29799431      -0.37752059 
O       7.19081999       9.20099001       1.30125997       3.28410379      -0.74097585      -0.39730531 
O       4.87958996       6.61837002       6.41156004       2.48311694       1.95748003      -1.00840575 
O       9.00910001       7.22810995       3.44219998       1.03580948      -0.66757199       0.94533348 
O       5.56492004       7.14031005       9.00519002      -0.80093512       0.38997682       0.76900876 
O       7.19012996       1.71972000       1.77315005       0.81870653       1.55534370      -2.71396187 
O       7.15151000       1.81725004       9.43605998       0.57347144       1.09252306      -0.42762776 
O       9.27408003       7.21920997       0.87789799      -1.43932195       0.18542070      -1.54180373 
O       3.62538995       8.93162996       6.73590000      -2.17648885       0.30663675      -1.50256680 
O       6.75345996       2.16392003       4.12758004      -1.84704479      -5.15872520      -2.29273870 
O       6.88581999       8.74294999       4.39003004       1.54889221       3.12862246       0.07507458 
O       9.11925997       0.69439104       0.29031095       0.52930798      -1.88540614       0.43101553 
O       3.63408999       9.19216004       9.60200003       0.61485403      -2.84263003      -3.68570719 
O       7.38172005       9.03376005       9.57737997       1.13939702      -0.54364330      -1.34657608 
O       8.75357996      10.89124933       8.17958003      -0.08604458       2.48276469       3.13967834 
O       8.26280998      10.63216843       3.04162001      -1.08872787       5.01112152       2.65586864 
O       5.31711996      10.50100004       6.09142998       1.34615038       0.58069017      -1.57493865 
O       1.47274998       2.91268001       6.15778005       3.06856775       0.87018129       0.12807958 
O       7.27242997       1.93678996       6.45645003      -0.37765118      -3.13480282       2.86131385 
O       8.99650005       3.58456998       6.06553005       0.98684079      -0.05651055       0.88734093 
O       3.93744998       9.12026000       1.22384995      -2.05340670       0.20932461       0.28635196 
O       7.39095000       5.48486997       4.51314002      -0.23487334       0.64605797      -0.64072903 
O       8.67439999       3.48490996       3.18455001       0.76503729       0.53783230       1.51376040 
O       9.14012004       3.66755003       0.69417697      -4.13320292      -1.10554573       1.53010014 
O       7.21173997       5.18968997       1.71079995      -0.12715366      -0.24863176      -0.39648134 
O       9.23274002       3.71730004       8.70765002      -0.75199294      -0.27677882      -0.75255339 
O       5.55929998       7.13536005       1.08515998       0.54855830      -0.53539304      -2.79414433 
O       3.61283004       5.28258001       1.22172998       3.15474614       1.10885935       0.38042222 
O       3.06354998       8.92987000       4.15008003      -0.70214151       0.14768652      -1.68082236 
O       1.01682996       7.17697001       3.33403996       0.25255445       0.14178458      -0.71579169 
O      10.82309998       9.30852002       3.94364003      -0.83187228      -0.08660174       1.57110902 
O      10.90179996       5.08517004       6.57416997       0.14253154       1.93989725       0.47039187 
O       9.17742997       7.57384004       6.38086997       1.31279918      -2.22344662      -2.24888480 
O       8.80894005      10.38979999       5.88263995       1.55769007      -0.94002412       0.51841672 
O       5.06096004       3.56578997       9.24659004       3.79512110       0.25461111      -1.95809773 
O       7.32262003       5.77910995       7.24113998      -1.88182946      -0.57794763      -1.30403496 
O       1.92361003       7.27446997       8.57203998      -0.45938614      -3.25502188       1.15021641 
O       2.04898005       7.03766003       0.81741097      -2.10846730       1.33356565      -0.89697753 
O       3.77267998       1.67365001       4.13175003      -0.56648179      -0.06527364      -0.83484214 
O      10.68869995       1.45006005       6.89312001      -1.79430993       0.37171597       0.16943018 
O       1.72975005       0.20312955       6.14675000       3.09357436      -1.19483485       1.00453689 
O       2.11525004       0.20032951       9.23158004      -3.09274197      -2.33047472      -2.40293072 
O      10.91935740       1.88206997       1.33662997       2.26827230      -0.29418805       1.41064017 
O       0.23282946       1.93065996       9.42913999      -0.89502272      -2.03446282       0.77247813 
O       1.75088995      10.86230002       1.10876003      -0.79486317      -0.57871165      -0.93938984 
O       1.59928002       0.12996502       3.55054003       1.18487080      -0.19103191       0.04561392 
O      10.29150005       1.29253005       4.07127004      -0.14122454       1.91568444       0.67884536 
O       1.92043996       3.58770999       3.55759001       0.58596998      -1.61281607       0.16469762 
O       5.20296998       7.53393001       3.44793996      -1.51827575      -5.51544553       3.46861792 
O      10.80280001       9.21546998       1.51833004      -3.05812384       0.80778492      -2.60660754 
O       1.84621998       3.76452995       0.79148697      -3.40869351      -0.70655383       2.71656068 
O       3.04863995       5.14538005       6.51188003      -0.14680071      -1.64675858      -0.89547303 
O       5.59357997       3.77944997       6.55206996      -0.19408688      -0.81628758      -0.37964059 
O       1.93967999       3.61076995       8.81190003      -0.56742676      -0.21157980      -0.59752133 
O       3.56851002       5.51423002       9.17532997       0.58331648      -0.05715723       0.86546674 
O       9.00612000       7.21116002       8.76516996       0.32996441       1.22614234       3.17433385 
O       5.09453003       3.23318998       1.03561996       3.49817732       0.27642247       1.41762532 
O       5.07821998       4.19742995       3.83485997      -0.35830484      -2.53660870       1.50646460 
O       3.14552001       5.71571001       3.86065004       0.05280959       0.66047319      -0.46247907 
O       0.71555201       8.98248996       9.83677005      -1.48492057       3.53704224      -1.55134227 
O       5.70161005      10.96410001       8.69267004      -0.95996029      -1.45936741      -0.18615701 
O       3.56837998       1.86882003       9.48162004       1.61603101      -1.53431066      -1.13399303 
O       3.44188999       1.65780996       1.11908998      -0.71345700       0.92840724       4.47548460 
O       5.71669995       0.18892304       0.61643596      -3.88380528       0.83265580       1.66877581 
O       4.97011999      10.64569995       3.14564996       0.52880146       1.80794627       2.03649050 
O       3.70506999       2.00883002       6.84694002      -0.46141037      -0.08400114      -0.43446137 
O       0.07502951       9.42698002       7.17729005      -0.95613207      -0.11399723       0.96502473 
O       1.58387002       7.51005997       6.03281998      -1.02216887      -0.70195579      -0.84386637 
O      10.92690004       5.28119996       1.48736999      -0.78286406      -0.10134459      -0.16115158 
O      10.87819099       5.48139998       9.34566997       1.09422384       1.29184168       0.17791205 
O       6.89595000       8.43215995       7.18448003       1.45698685       0.56640607      -1.37142283 
108
Lattice="10.9763178 0.0 0.0 0.0 10.9763178 0.0 0.0 0.0 10.64871138" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013500032960910374 -0.003849108781103492 -0.009253770731342332 -0.003849108781103492 0.003927186515091109 -0.0066446945997029 -0.009253770731342332 -0.0066446945997029 0.008200813886198982" pbc="T T T" energy=-1057.26268451 free_energy=-1057.26268451 config_type=crystal 
Hf       1.67820995       1.69869000       2.48790998      -0.39301272      -0.18011992      -1.05312339 
Hf      10.72519995       7.14000999       0.06617642       2.41843605      -1.02001912      -3.83437921 
Hf       1.81388997       8.94067998       8.12504005      -0.67078786      -0.04404263      -3.79088138 
Hf       6.98832002       3.40095005      10.39879997       2.29358851       2.16570872      -0.11941112 
Hf       9.26418005       5.40622003       2.66683996      -1.82738154      -1.29567954       0.14980643 
Hf       3.87321996       7.09762999       5.29825005       0.12016265       2.51961785      -0.36430167 
Hf       3.65962004       0.01173654      10.35240002      -2.35879680      -0.06475968       0.79536498 
Hf       7.55821000       0.02318220       5.35973997      -6.98165606      -2.80192356      -1.68064518 
Hf       5.20682995       1.45283003       2.53601000      -0.74056538      -0.32109158       3.27088844 
Hf       5.39599998       1.76083001       7.61218000      -0.52536517       1.06006132      -2.09544475 
Hf       1.81231004       8.94988998       2.52049003      -0.73368166      -0.63284937       0.08566031 
Hf       3.04181997      10.92310000       5.28008996       3.91759805      -1.66298237      -0.16255102 
Hf       3.46989000       3.72816001       0.10233305      -1.70270389       2.24897345      -1.80326082 
Hf       7.02235001      10.84250002      10.25450002       1.60869861      -0.08392752       1.16061665 
Hf       8.79652997       1.53563999       2.22411999       0.13822335       1.23717123      -1.42941114 
Hf       5.58537000       5.54936998       7.97261003       2.47998761      -0.58200831      -2.76397551 
Hf       3.40305004       3.41514002       4.95236000       3.96840514      -0.21631694       2.73108996 
Hf      10.71470001      10.90190001       4.80777999       0.91071665      -0.80113201       2.24274519 
Hf       9.04710998       1.72007000       7.67849996       2.13264066       2.68183855       2.37241207 
Hf       5.28430003       8.93134001       2.27219999       0.14960903      -1.05138239       2.06080482 
Hf       3.43017000       7.24377999      10.51159996       1.76777389      -2.71591264      -0.60371704 
Hf       5.53446996       5.20618004       2.41814005      -1.37203691       1.83845212       0.59251702 
Hf       9.07540001       5.34215005       7.89432996       1.68217062       4.25079812      -1.25819558 
Hf       0.00928223       7.27960998       5.53042998       0.11323565      -1.24566949       0.35423328 
Hf       5.35660005       9.11985003       7.84427005      -1.79574560      -0.01101084      -4.81826115 
Hf       7.20073998       3.63375995       5.05712000      -1.21037859      -3.81620896       0.63309500 
Hf       7.36103001       7.25432999       5.06111997      -0.46276438       0.51233021       1.80645218 
Hf      10.93410003      10.65239997      10.45790000      -1.72042982       3.52643588       2.23884984 
Hf      10.64499995       3.44746001       5.39039005       5.71977768       2.88493638      -0.09664131 
Hf      10.92937505       3.28090997      10.45760002      -1.93417715       0.85401140      -1.97668447 
Hf       2.05960000       5.31483000       7.80634999      -5.22619144       1.20319030      -0.04003825 
Hf       8.97254006       8.99447996       8.03130998       1.73957122      -2.05392300      -2.13969009 
Hf       2.04381002       1.91832996       7.79759004      -3.11548664       0.69373013      -0.61618954 
Hf       7.46255996       7.02306995       0.06242424      -3.26819061       0.85050577      -0.71193849 
Hf       8.98738004       8.86160000       2.63473995      -0.41572951       2.14926702      -1.46092893 
Hf       1.65707000       5.38045005       2.80602000       0.58328748       1.10535429      -0.34679867 
O       6.97316996       5.52635001       9.60804998       0.45417000      -3.32378055      -1.96567427 
O       0.15740303       5.28683995       4.30503995      -1.78994154      -0.80036940      -1.17115195 
O       7.31492003       8.70479002       1.33981000      -1.33550926       1.00064996       1.21151726 
O       5.69287996       7.91714998       6.09153997      -2.82391159      -1.68034832      -0.31920881 
O       9.10050998       7.18066002       3.61169000      -0.31603478      -2.69619739       1.27150629 
O       5.15937000       7.18191000       8.68344995      -1.82087722       2.04496017       1.16003765 
O       6.78993998       1.52690997       1.27840996       0.50899358       0.54969703      -0.37782048 
O       6.64720998       1.72865996       9.20178002       1.20984487      -0.84870553       3.12780683 
O       9.10373998       7.21665005       1.09157001      -0.10262655      -1.86286254       2.45465901 
O       3.25058998       9.35512005       6.66663002       0.70430622       0.59200961      -0.20294899 
O       6.77231004       1.60840002       4.30644995       0.73199189       0.63717164      -1.86680986 
O       7.59233999       9.11085999       4.28697995       0.22663209       0.44170263      -0.82810316 
O       8.81601996      10.77600000       0.71434399      -0.36326179       0.83100150      -0.26209065 
O       3.61586998       8.90520002       9.09315997      -1.92297340      -0.12329643       3.22215418 
O       6.37619998       8.97109996       9.41260002       5.21335088       2.30185787       2.90403872 
O       8.87620004      10.96310001       8.71089999      -2.42239186      -1.32492168       0.11775087 
O       8.95341997      10.88830002       3.48097004       0.56341177       1.67449946       0.06532305 
O       5.52806001      10.89750005       6.39416996       1.00864699       0.42984454       0.19489212 
O       1.77756001       3.92105003       6.25907998       2.29809776      -1.39740058      -0.07126892 
O       7.21480998       1.98662999       6.83322996       0.34659673      -0.95188725      -0.55213154 
O       8.94278995       3.58041998       6.06789004      -2.53345114       0.79408851       1.20566954 
O       3.41563000       8.61233001       1.37171003       0.26080915       1.40519545      -1.54572990 
O       7.24329001       5.30903999       4.13944003      -0.49970027       2.31492084      -1.41644395 
O       8.70603001       3.46155996       3.34281004       1.43315932      -0.64380360       0.09702679 
O       8.80558005       2.97974999       0.77687205      -0.09832992       1.06568625      -2.24164848 
O       7.25406996       5.11060002       1.34848998       2.97764433       1.45036689       1.97510913 
O       8.70613000       3.64228998       8.55479999      -1.98387541      -4.58357032       1.74663421 
O       5.44308004       6.96610999       0.58647096      -1.18569056       0.67132261       1.78570911 
O       3.38489005       5.47143999       1.40729004       0.54260939      -1.09189222       2.45146113 
O       3.75531005       8.71114003       3.69438001      -2.86832240      -1.37546089       2.37446388 
O       1.18439002       7.28284997       3.48806996       1.48994866      -0.15163510       0.17416436 
O      10.52829996       9.10539005       3.98372999       2.10138534       0.18114128       2.02518476 
O      10.83460004       5.52891002       6.67581996       0.51724631      -0.85331734       1.68082364 
O       9.17805997       7.16305005       6.49486002      -0.05409571       2.05626154      -2.33514577 
O       9.19676998       0.63396402       6.00412001       3.17100853      -0.50700774      -0.03780582 
O       5.00693002       3.81995002       8.43087998       2.72788052      -1.95035040       1.64864634 
O       7.23246000       5.94576005       6.83154001      -0.37194102      -1.93682470      -0.03530248 
O       1.17626996       7.14108995       8.70783997       0.69116017       1.13692957       0.75795222 
O       1.58507996       6.89170000       0.77409104       0.33169665       2.16100887       0.42831168 
O       3.25642005       1.60490999       3.68539005       3.13045105      -1.05981971       1.91168623 
O       0.10350097       2.27959999       6.95503003      -1.54913509      -0.59294527       1.21596164 
O       1.35561004       0.12796905       6.17932997      -0.25711451       0.41125562      -0.13354195 
O       2.00766995      10.93508515       9.01082999      -1.36112074       0.38484358      -0.25068501 
O      10.76940005       1.51670002       1.49228997      -1.29351987      -0.00964626       1.34212893 
O      10.48500003       1.57264006       9.39895998       1.50060839       0.16231049       1.33595256 
O       1.64192005      10.95340002       0.96192802       1.77201044      -1.02444533      -0.28768333 
O       2.04597005      10.70440005       3.53957001      -3.47868405      -1.19770243      -0.34191926 
O       0.16441997       1.80934995       4.46932998       0.09546836      -1.28986194      -3.88725718 
O       1.99572003       3.37873004       3.78285004      -5.17541702       2.96900998      -5.41718365 
O       5.73955006       7.35570001       3.54997997       0.55577215      -2.51736931      -0.78423417 
O      10.82490004       8.96332006       1.44313999       1.01072278       0.69382981      -0.20352315 
O       1.60174003       3.14392004       0.95988996      -0.03189275       1.57845164       0.43180620 
O       3.73951996       5.76981001       7.12081002       2.69869675       0.29851751      -2.73971468 
O       5.41495004       3.59547005       5.84074003      -0.64100985       0.41586481       1.32419062 
O       1.31631000       3.66814996       8.83439000      -1.42266853      -1.65369796       0.79137459 
O       2.75064998       5.46088999       9.66526998       2.50316398      -0.49246276       0.71385855 
O       9.19808001       7.13941003       9.02338003      -2.94001824       1.26092510       0.95044968 
O       5.31835000       4.20020995       0.68080204       0.01856875      -2.99102638      -0.98351338 
O       4.94040003       3.41136998       3.46716995       2.04897673       0.61333065      -3.28890680 
O       3.56204003       5.39719003       4.22716997      -0.33604385       1.44930540      -0.02923604 
O      10.40929999       9.04430004       9.56380001       2.23308869      -0.08495574       0.94719124 
O       4.75957002       0.06031596       8.77068004       0.99328007       1.06527480       0.43471544 
O       3.40677003       2.64405995       9.00916997      -0.80194765      -4.28797042       0.71446431 
O       3.57677003       1.92203996       1.04900999       2.28737609      -3.18169565       0.65152460 
O       5.35969998      10.42970003       0.81023596      -1.25690715       1.49096554      -1.36367568 
O       5.14219996      10.63679998       3.45368996       0.68731936       1.15764069      -1.63938085 
O       3.69850003       1.61326999       6.32898004      -2.64416527       1.23475233       0.98307777 
O      10.74360000       9.20721000       7.03374999       0.73422503      -0.56258239      -1.19358068 
O       2.08957995       7.31063005       6.31558002      -2.73796418      -0.16405327      -1.18678292 
O      10.92322348       5.38060997       1.61798001      -0.64335884      -1.31634609       0.17738857 
O      10.22550001       5.18188001       9.65052002       1.41856772      -0.62952106       2.25738544 
O       7.50208996       9.29925005       6.72911006       0.57621338       1.05171693       1.36803710 
108
Lattice="10.97921138 0.0 0.0 0.0 10.97921138 0.0 0.0 0.0 10.65151859" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006143300352919493 0.005926817609695581 -0.0004856752869177806 0.005926817609695581 -0.012084270728112726 0.003916696485601346 -0.0004856752869177806 0.003916696485601346 0.0004513056991425549" pbc="T T T" energy=-1058.94750369 free_energy=-1058.94750369 config_type=crystal 
Hf       1.70023002       1.52249998       2.33758003      -1.45974673       0.14899532       0.99522728 
Hf      10.78479996       7.45442000      10.55019996      -2.66663807      -2.63445945      -1.32473567 
Hf       1.91432004       9.10319002       7.90130001      -0.98350377      -0.45682483      -0.78778369 
Hf       7.27602999       3.32883003      10.30110003      -2.53260659      -0.14269137       0.90767163 
Hf       9.03665995       5.02739999       2.52485003      -1.56749387       3.24484502       1.08273867 
Hf       3.69232998       7.26099001       4.94597003       0.53197266       1.09586148       0.31125703 
Hf       3.44227997       0.30744405      10.11940004      -0.64229762      -2.67524266       4.05958873 
Hf       7.17256004      10.66100002       4.90033999       1.25341759      -0.44000313       1.90483513 
Hf       5.50464995       1.51401996       2.82862005       0.95393540       2.96705375      -3.82311748 
Hf       5.03934999       1.79244003       7.72811995       6.24337842      -0.86713952       0.87345281 
Hf       1.36794002       8.94749997       2.09912001       1.66981833       0.06823202       2.36005515 
Hf       3.62344004      10.93840000       5.08564999      -0.12986271      -4.88056806       3.43872919 
Hf       3.54490003       3.65937006       0.09720001       1.02114830       2.34794270      -0.64826380 
Hf       7.04167005      10.65749996       0.20020200       2.24968928       2.86144587       2.10864904 
Hf       9.15748002       1.42604003       2.56256002      -1.98568376       0.86324920      -1.16807449 
Hf       5.40475000       5.32918997       7.87178997       4.72429612       0.53486147       0.37327786 
Hf       3.54940996       4.01807000       5.42498000      -0.91352717      -0.98965898      -0.70716687 
Hf       0.05104598      10.61539995       5.25032002      -0.61033490      -0.98624895      -0.20091803 
Hf       8.90910995       1.90480995       8.03964001      -1.22025486      -1.44586635      -0.58422313 
Hf       4.86709000       8.84830005       2.20437001       4.55942830       0.71991123       1.97326669 
Hf       3.41808004       7.08298998      10.41920002       2.33498274       1.66067331      -1.18976637 
Hf       5.53725997       4.97554002       2.68684003      -1.37213728       1.80162454       0.04342625 
Hf       9.01472996       5.58070998       8.05431003       0.49604319       0.05100528      -1.73350779 
Hf      10.83240000       6.91417000       5.17611994       1.34998132      -0.47501025      -0.71914781 
Hf       5.38188996       9.22418005       8.07294997       1.45344423      -1.12287041      -1.59326378 
Hf       7.54559005       3.40908005       5.30064003      -4.26519301       1.49313386      -0.94602257 
Hf       7.39055996       7.26408000       5.28650003      -0.82624704      -5.42497049       3.00844306 
Hf      10.86529998       0.07001245      10.22720001      -1.64088991       0.02852545       1.73446795 
Hf      10.78950005       3.21381005       5.22437005       3.30659804       2.64844371      -3.69004622 
Hf      10.82579996       3.73004005       0.12185604       1.59893028       0.37573177      -1.18209695 
Hf       1.54086996       5.34467000       7.89324000       2.42085880       1.65269255      -0.35867583 
Hf       9.08161005       9.16483006       7.79987997      -0.13099744       0.20008048      -1.29712761 
Hf       1.28886005       1.91892000       7.73924003       2.72954405       1.10424636       0.69838615 
Hf       7.29917000       7.19403998      10.47299999      -0.05873325       0.31377244       0.90376363 
Hf       9.16748000       8.84303003       2.63696003      -3.01940174      -3.74042268      -0.90811387 
Hf       2.00598997       5.30292001       2.50855001      -1.31009736       0.60253653       2.62450337 
O       7.50538001       5.46269004       9.34759995      -2.89921703      -0.72304202       2.34937190 
O       0.12496703       5.03446995       4.03147005      -1.35287524       1.55990029       1.52170530 
O       7.50503998       9.06742996       1.31650000      -0.82051002      -0.36677374       0.47518355 
O       5.40388001       6.72626003       5.95570001       1.48027208       1.04601009      -0.74959009 
O       8.92712003       6.79261004       3.57058001       1.88216534       1.92687237       1.53885630 
O       5.49688996       7.29954999       8.53018004       0.15473299       0.54020625       0.49984678 
O       7.21117996       1.52793996       1.57324996      -1.62346267       0.85955686       1.46923365 
O       7.61974002       1.37407004       9.72249996       0.34022191       2.52318921      -1.92579878 
O       8.83479002       6.98788004       1.09762003       2.87070048       0.01346481      -1.24449448 
O       3.70168997       8.89504997       6.92078000      -0.49396699      -0.36675537      -0.35665092 
O       7.32771002       1.63105001       4.33514996       0.49454092      -3.18578010      -0.81148423 
O       7.39423997       8.66268001       4.16099997      -0.11988519       4.97779304      -2.23366815 
O       9.01854996       0.28342999       0.98447502       2.24032686      -0.73956648      -3.09119594 
O       3.08663005       9.33924998       9.54755004       1.08324694      -0.65059072      -0.65465746 
O       7.22433997       9.59195003       9.28511995       0.19138049      -2.01191602      -1.65135922 
O       9.63835005      10.94850000       8.65555001      -0.69080412       0.69751082       0.16255605 
O       8.72704004      10.59350005       3.27651001      -0.51446132       1.68991964       2.64962250 
O       5.27084995      10.95849998       6.28157001       1.18304507       0.00020966       0.10190890 
O       1.70349996       3.44321002       6.16926999      -1.51211045      -0.43400557       2.38355634 
O       7.12505002       1.91968997       6.92484004       1.78865528      -0.24564129       0.83229185 
O       9.24918004       3.59292003       6.16820004      -0.43082660      -1.55137625       2.58819306 
O       3.28667996       8.66860000       1.31398997      -2.09472828       1.19067750       0.21952756 
O       7.47106997       5.01620998       4.10303004      -0.52393684       1.84751818       0.63960679 
O       9.24969003       3.36001999       3.52655004      -0.22643431      -1.43805695       0.35114870 
O       8.83726001       3.56353998       0.87895298       2.80924335       0.93854545       0.81778189 
O       7.01353000       5.42342004       1.74338997       4.09407524       1.96085176      -3.29440837 
O       8.94560002       3.69547003       9.00579996       0.74191149      -0.90747029      -0.79531332 
O       5.45172005       7.72885000       0.30830000      -1.78428048       0.53421009       1.60396942 
O       3.76179995       5.89057000       1.42241998      -1.42427578      -2.05280495       0.12404764 
O       3.60075995       9.25565997       4.00007001      -0.23369919      -0.97155126      -0.04526777 
O       1.83076000       7.33933997       3.33071005      -0.11413351      -0.74602352      -0.75543001 
O      10.64699999       8.77117998       4.09428003       0.24266458      -0.00310826      -1.15690786 
O      10.91070000       5.27916001       6.84530004      -2.31538081       0.78952633      -1.07331983 
O       9.23733995       7.61044996       6.45851996      -1.08163851      -3.82106326      -1.66711867 
O       9.14197002      10.57370003       6.03858001      -3.00536507       0.15172944      -0.67587283 
O       5.71860997       3.36112000       8.66879997       1.27808158       1.93569731       1.51016108 
O       7.58763999       5.11752000       6.67079003      -0.66963962       1.98354058       1.93007044 
O       1.92373998       7.20051003       8.72496000       1.48637973      -0.20164432      -0.87983961 
O       1.61119005       7.40642997       0.59886502      -1.93101975      -0.07811018       0.64289651 
O       3.87403999       1.48226995       4.17270003      -0.98929078       4.73005561      -2.18981350 
O      10.59300005       1.50971996       6.83579995       1.25404274       0.59816609      -1.76316855 
O       1.88950998      10.70570001       6.17882003      -0.43508019       1.09318498       0.43318999 
O       1.62858002       0.27088898       8.88727998       0.31476236      -0.54142811       0.37054929 
O       0.04917435       1.75718995       1.04783004       0.19235761       1.82268591       1.69555930 
O      10.94070004       2.19615002       9.25785994      -0.74968168      -0.41438301       0.63538783 
O       1.36726996      10.74960006       1.05665003       3.15541963       1.01956209      -1.22143219 
O       1.17972000      10.68020002       3.48918995       1.95225326       0.38421786      -1.18496083 
O      10.75989999       1.56982005       4.09135001       0.56675680      -0.79536300      -0.29203168 
O       2.12917003       3.70869998       3.78901997       0.41367245      -1.87144566      -1.77024390 
O       5.15904996       7.29555004       3.47193002       0.67316173       0.49351729      -1.78847429 
O      10.37090005       9.28135001       0.97254404       1.88970484      -2.28893898       1.89548856 
O       1.75940995       3.76289996       1.07674998      -0.28128889      -0.65785602       0.09303429 
O       3.81834003       5.37030997       7.01984999      -7.63523718      -1.06236206      -2.63353551 
O       5.34893004       3.72167005       6.05693002       1.28307491      -1.42829855       0.29012006 
O       1.90169998       3.85643998       9.20359003      -0.64167567      -0.98695221      -1.17316708 
O       4.04594995       5.38081005       9.49956996      -0.36816315      -0.62384886       1.19139959 
O       8.80448004       7.40593997       9.04709004       1.18196674       1.03293338      -0.34038063 
O       5.49725996       3.68402003       0.86634702      -0.94031857      -0.42808710      -0.61641688 
O       6.02403999       3.32735003       3.47024005      -1.95695288      -1.73729083       0.66440391 
O       3.86403002       5.38163997       3.95541001      -1.18802027      -0.07757570       1.74935275 
O       0.02898863       8.88721005       9.24113003       0.35570359       1.82349322      -0.72590654 
O       5.03587002       0.09833355       9.09947996       1.34110749      -0.32059002      -2.57368873 
O       3.77893004       2.12094001       9.66395005      -0.09046826      -0.45967166      -2.19348095 
O       3.42056002       2.03338003       1.52612998       0.58616745      -2.18039627       0.44222560 
O       5.23513996      10.79210004       0.95005996      -2.87596795      -0.13839883       0.83244269 
O       5.49699997      10.74830001       3.53307996       1.87930811      -3.33249019       1.60957113 
O       3.38069999       1.83323000       7.07579996      -4.63076346       0.09578453      -1.96068747 
O      10.95279452       9.06838998       6.54016002       2.55724423      -0.28924959       2.49533053 
O       1.80773001       6.76257004       5.82825001      -0.02312777       0.21053110       0.50558616 
O       0.21512304       5.48392000       1.52420004      -3.33242850      -0.72293631      -1.34716764 
O       0.08683250       5.70848999       9.27286996      -2.84008965      -0.67423446       2.32767040 
O       7.12721995       8.86249002       6.92106003      -0.67896156       0.55312900      -1.34560202 
108
Lattice="10.9822438 0.0 0.0 0.0 10.9822438 0.0 0.0 0.0 10.65446051" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.009540702261881365 -0.00337297824087685 0.0034858345999402565 -0.00337297824087685 0.0015975606226996072 -0.009486986192827113 0.0034858345999402565 -0.009486986192827113 0.005105677628672087" pbc="T T T" energy=-1063.61616829 free_energy=-1063.61616829 config_type=crystal 
Hf       1.87065995       1.88302002       2.55472004       0.26416795       2.76807872      -0.26662960 
Hf      10.54970000       7.13986002      10.65382252       3.00706794      -1.68140273      -3.06006806 
Hf       1.57165002       8.92412002       7.91829000       2.12291923      -1.64620055      -0.79054993 
Hf       6.93105001       3.36023000      10.41089997       1.58286574       0.39018683       1.80270816 
Hf       9.04250005       5.32483997       2.68432005       0.53733739      -0.48252801      -3.55777930 
Hf       3.24203997       7.34913997       5.20874999       0.38815467       1.63854020       1.45751830 
Hf       3.45637998      10.73210002       0.14785301       2.57512450      -0.75679270      -3.20686924 
Hf       7.17200000      10.94459996       5.03894996       0.71537638      -0.23368187       1.68237604 
Hf       5.54419996       1.75972995       2.54371004      -1.37376196       0.11164581      -0.37146092 
Hf       5.48175998       1.40605997       7.63613005      -1.81338415      -1.14003558       1.34938966 
Hf       1.82744998       9.13840996       2.64260997      -0.15801238       0.99733840      -0.20128449 
Hf       3.58591006       0.02545618       5.23240002      -1.05607330      -0.44462912      -0.03178246 
Hf       3.50925004       3.21566995      10.26430003      -0.72705858       1.16530806       2.78960595 
Hf       7.09803997      10.65150002      10.23760005       0.44329366       0.26737603       1.58915637 
Hf       9.07184998       1.53084000       2.45425999      -0.05316108       0.58533856      -2.24119976 
Hf       5.31341997       5.27380998       8.06360001      -0.52415690      -1.95287789      -2.82461572 
Hf       3.53635004       3.59554006       5.31461005       0.56732054       0.53521049      -4.35278741 
Hf       0.00051957       0.33303698       5.03019998      -1.82004160      -2.28936712      -3.42073120 
Hf       9.12966996       1.65454004       8.00806001      -0.86831306       0.31338538      -0.03204809 
Hf       5.68784002       9.11730999       2.49191999      -0.63369203       0.32803196      -3.33258165 
Hf       3.64913000       7.00668999      10.48319997      -2.20154413       2.73064512       0.19229575 
Hf       5.51377003       5.37723999       2.72878005      -0.40712903      -0.29983895      -0.15679249 
Hf       9.03489001       5.47508003       7.95178997       0.47195372       0.11386553       0.27433807 
Hf      10.72100005       7.26206000       5.12029996       0.96155711       1.91107642       1.51759479 
Hf       5.00739997       8.76510998       7.86293997      -0.53066953       2.73480085      -1.21265758 
Hf       7.44168997       3.53088001       5.51119997      -0.61915084       1.03503430      -0.87047980 
Hf       7.13880002       7.39350000       4.95335000      -0.37535367       1.60780466       1.75309022 
Hf      10.94130002      10.45750000      10.20890003      -0.56666216       0.19482221       1.52496598 
Hf      10.92439999       3.68191002       5.24656001      -0.71860188       3.62901717       0.49155737 
Hf      10.68779996       3.06843002      10.65320744      -0.16604764       2.23615761       2.22426559 
Hf       1.66423001       5.37882999       7.88956003      -1.83814791       3.84557537      -1.06627520 
Hf       9.14971003       9.12058995       7.54111997       2.90051403      -2.49151959       3.57543875 
Hf       1.60493995       1.79559005       7.83206995       1.94976328      -1.53843336      -0.59300443 
Hf       7.14381001       7.09381005      10.47700003       1.08317866       1.67687690       0.62140318 
Hf       9.17506001       9.02352998       2.40879996       0.77046960      -1.47028177       0.55797053 
Hf       1.95083999       5.74384002       2.43702000      -1.02778342      -2.40961256       0.56313932 
O       6.99132001       5.27558998       9.47376995      -1.21204489      -0.81216927      -0.20762512 
O       0.38820804       5.60037996       4.47910004       0.39634875      -3.93922118      -1.54941809 
O       7.55649000       8.87763998       1.31589001      -2.75849177       0.82568826       0.31646286 
O       5.28926002       7.80655998       5.91913998       1.90699245      -1.26388367       0.72342420 
O       9.32980005       7.15132000       3.42102996       0.01112478       1.71114200       0.40099372 
O       5.02047004       7.01607004       8.79820002       2.04824916       0.94111349       0.26896493 
O       7.31800004       1.64935005       1.38772004      -0.63489430      -0.87580094      -0.18546206 
O       7.31664999       1.42914003       9.08677001      -1.85709954      -0.12312497       0.78933361 
O       8.92155995       6.92059997       0.95761098      -1.92844460      -1.46028802       0.30364621 
O       3.28597004       8.97270997       6.64849001       0.23617153       1.41804186       2.32645040 
O       7.20564004       1.88877999       4.03787997       1.06912346      -0.35665875      -0.84320463 
O       7.45071002       9.23977003       3.98881000      -1.02852718      -2.31736526      -0.31384330 
O       9.21731002      10.74080005       0.66596696      -1.15816616       0.26508825       1.62420538 
O       3.52552001       8.93386995       9.28579000      -0.46320222      -0.07860065       1.75284142 
O       7.02912002       8.91200002       9.44484000      -0.75004214      -0.04474197      -1.30654457 
O       9.31697004      10.73059996       8.80531997      -2.09837906      -1.12460565      -2.84962597 
O       9.24095995      10.65220003       3.47731002       0.41627094       4.22857895      -0.54358164 
O       5.39597998      10.70686579       6.20220002       0.03052812       1.19004600      -0.63587655 
O       1.87188996       3.76234002       6.37118999      -1.90228614      -0.47362658      -0.42216732 
O       7.06304999       1.77134005       6.51879997       1.36245403      -0.36321637       0.50134421 
O       9.13041005       3.50714002       6.56977997      -1.08602124       0.64841073       0.89782903 
O       3.72682004       8.99942000       1.75716996      -1.41425808       1.94554761      -0.14997965 
O       7.35558995       5.72383005       3.89838996      -2.86176393      -0.91185056       0.48381547 
O       9.11553999       4.03033005       4.12725001       0.06041837      -2.02877675       1.71012469 
O       8.98777003       3.37833005       1.45155997       2.71907729      -1.39100931      -0.65878854 
O       7.15830997       4.84708996       1.40224996      -1.73183365       1.64709012       0.49572821 
O       8.86300999       3.37843998       9.44868999       0.24694486       0.19320570      -1.65954814 
O       5.37454000       7.77867002       0.56065604       1.84502199      -1.08963215       0.08936163 
O       3.96212000       5.98744003       1.61767995      -1.07444951      -1.59850146      -0.21921152 
O       3.15960000       9.34250002       4.28191005       0.39695981      -0.10791116      -0.66865174 
O       2.02727004       7.36230998       3.46238003      -0.65746807       0.66294895       0.55161613 
O       0.11510698       9.04835995       4.21011998       0.43569464       1.52974092      -1.34488526 
O      10.56919996       5.80933000       6.79115995       0.65259717      -2.00862739       0.61102426 
O       8.93240997       7.37049999       5.95362005      -2.39359105      -0.27275065       1.00078464 
O       9.20395001       0.38708895       5.86990998      -1.50730199      -0.12770551       1.84185827 
O       5.17859997       3.18153000       8.68068995       1.03131827       1.58396973       1.44250761 
O       7.14362001       5.27869005       6.78902000      -0.29463566       0.21032673       0.41406187 
O       1.77987995       7.20662998       8.94591005       0.40762386      -1.92315791      -0.32981380 
O       1.69703002       7.16929002       0.83483196       0.86068172      -1.43639098       0.06916259 
O       3.74578001       1.80244001       4.18370001      -1.06538569      -1.42609031       0.95316252 
O      10.82931682       2.12720000       6.88513005       2.39858228      -1.30494282       0.42318477 
O       1.45004001       0.10931495       6.10670004       4.11576350       0.52696906       3.35116195 
O       1.64409999      10.83009997       8.94849003      -1.12924685       1.12377641      -2.38617948 
O       0.25095998       1.58123005       1.32745000      -2.61002138      -0.64229753       1.44665334 
O      10.41509997       1.36874999       9.66581000       1.96678293       3.22873681      -1.71529141 
O       1.68361004      10.36499997       0.62206004      -2.07876853      -1.16406053       3.50260335 
O       1.57132000       0.18529395       3.58029998       0.29207899      -0.66900888      -1.47926532 
O       0.08482564       2.20617002       3.95911996      -1.01675640      -1.56141112       0.42510886 
O       2.13220999       3.84387000       3.37044003      -0.02475669      -2.07288806       0.08223276 
O       5.38594001       7.49266999       3.40531005       1.27188885      -2.04103071       0.67114003 
O      10.81229995       8.56000999       1.35154996       0.41224716       2.54632583       0.55676328 
O       1.59938996       3.35521001       0.64277700       3.19619415       0.55607181      -0.20148165 
O       3.38698000       5.90597001       7.06824997       3.25061395      -2.08615442      -0.17367047 
O       5.34790004       3.60996996       5.98005004       0.95406793       0.79656173       0.99627150 
O       1.53873997       3.58087997       8.80292005       0.56073276      -2.17274640       0.84302239 
O       3.75694005       5.21172000       9.56732997      -0.55518862      -2.23822583       0.35692578 
O       8.77211995       7.28509998       9.11745997       0.25390815      -0.71752303      -1.93632641 
O       5.19603000       3.13267999       0.93261103       0.05043179       0.41975954      -3.23743682 
O       4.99100996       3.52011005       3.28732000       1.51476188       2.25014182       0.74386034 
O       3.54659999       5.66498004       4.31100003       1.81065469      -3.00235662      -0.30376899 
O      10.83020002       8.77516005       9.08672004      -0.41224591      -0.01638127       3.65299708 
O       5.06606997      10.65420000       8.71439001       2.34908925       1.61220558      -0.28424464 
O       3.50520001       1.45403996       9.61376999      -1.11770989      -0.18425297      -1.22965335 
O       3.58647004       1.36778004       1.57986003      -1.05002377      -0.37477143       0.29363540 
O       5.38884997      10.82441182       0.68654797       2.77029063      -0.53450620       1.12474719 
O       5.56715999      10.84809998       3.61928998      -0.46117124       0.73005583      -0.54522811 
O       3.55286997       1.75216000       6.79180998      -0.83290035      -0.46320721       0.65103392 
O      10.91229998       8.78024000       6.77465001      -0.43202998       1.44139932      -1.55234041 
O       1.56550996       7.11197995       6.26639996       0.05787438       0.44553343      -0.44471314 
O      10.94610003       5.17769997       1.89061004       0.11785314       1.16315263      -1.03993709 
O      10.62240004       5.47803996       9.20100000       0.69834406      -0.82460306       2.22687661 
O       7.62170004       9.30353996       6.63582004      -5.43897434       1.80553161      -2.87637392 
108
Lattice="10.98549077 0.0 0.0 0.0 10.98549077 0.0 0.0 0.0 10.65761057" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0026792912930264623 0.005685933081117645 -0.005966450044207261 0.005685933081117645 0.00501996270921993 0.011561928378876518 -0.005966450044207261 0.011561928378876518 0.01699129794841655" pbc="T T T" energy=-1060.66289 free_energy=-1060.66289 config_type=crystal 
Hf       1.87079997       1.64162000       2.49605002       0.66797258       2.46705499      -1.52776273 
Hf      10.84149999       6.95335998      10.50690002       0.40321802       4.86305222       2.90922736 
Hf       1.80855002       8.69603002       7.72226003       0.70533118       3.05498943       1.60416297 
Hf       7.10576004       3.29142001      10.37349999       2.38939433       2.48993968       2.66889957 
Hf       9.24711002       5.25785999       2.29371997      -0.63641239       1.13316283       1.12467025 
Hf       3.67520000       7.28361997       5.11918000       1.39855219       1.53554372      -2.12359604 
Hf       3.39594004      10.86950003       0.08731855       1.05075978       4.30430770      -3.88703568 
Hf       7.01685996      10.97319998       5.23763998      -0.93094897      -0.92905411       1.48313369 
Hf       5.51229000       1.73352000       2.76032998      -2.57918751      -2.85720137      -1.82535070 
Hf       5.05542003       1.75113996       7.90031001       1.38168484      -1.66256741      -0.10926243 
Hf       1.72011001       8.88135997       2.34335001      -2.78730170       4.52272122      -1.73826715 
Hf       3.01129000      10.86929998       5.28734995       5.30763910       0.68151222      -1.85551723 
Hf       3.66825003       3.68432005       0.08314492      -4.19253830      -2.81973227       2.20299146 
Hf       7.26535000      10.67729997      10.40820000      -1.91479993      -0.99714452      -0.28974744 
Hf       8.91869998       1.74487999       2.65029996       1.89143741       0.71848010      -3.76528434 
Hf       5.48134003       5.35832000       7.70910001      -2.73031851       0.13373478       3.10405904 
Hf       3.61664997       3.69754998       5.15678005       2.85649959      -2.07072401      -1.65618215 
Hf      10.74670004       0.02861545       4.99029996       0.14650329       0.68169962      -0.04951167 
Hf       9.00840003       1.69031000       7.72513001      -1.48217357      -0.45628121       2.73318657 
Hf       5.14345995       9.07802003       2.39560001       1.98772425      -0.07625009      -0.24852554 
Hf       3.55443002       7.52004004      10.13230004       2.52283387      -0.61029631       0.03443304 
Hf       5.53847996       5.38333001       2.56450001      -2.19138744       0.25921899       0.49001095 
Hf       9.02706998       5.55106000       8.07244001      -2.69250727       0.82198506      -1.70480415 
Hf       0.09414983       7.15553003       5.20294999      -3.67100699       0.57698880      -2.27006808 
Hf       5.42334004       9.01123000       7.58295003       0.04445013       1.77702244       3.58238970 
Hf       7.22427998       3.64174995       5.27607995      -1.62813563       0.21454681      -0.73423823 
Hf       7.44507000       7.16581003       5.18788002       0.07674024      -2.23115230      -0.25023216 
Hf      10.66359996      10.56490005      10.47969999       0.59792202       0.77228806       1.61072953 
Hf      10.66259995       3.51346996       5.60742997       2.26726617       0.13372187      -3.67880363 
Hf      10.74260003       3.49382999      10.46059995       1.54744253      -2.96454626       1.79705604 
Hf       1.71352004       5.17179999       7.65235996       1.58260548       1.01983599      -0.51132733 
Hf       9.22684003       8.85027004       7.70078995      -0.55189960      -0.20828636      -0.38524605 
Hf       1.62005998       1.55405004       7.91078005       1.20464508      -1.34911636       2.36288470 
Hf       7.29061004       7.04761000      10.58210001      -0.74995682       2.47677337       1.07661724 
Hf       8.92602005       9.12019003       2.94431999      -0.54987489      -1.05136490      -3.31494311 
Hf       1.77599002       5.32245995       2.66947002       1.44486254      -3.23166365      -2.48325592 
O       7.32239996       5.42248999       9.53725004       0.47096614      -0.20501552      -1.06558161 
O       0.02788326       5.15531000       3.65988997      -0.61639344       0.86100751       2.27819351 
O       7.25364002       9.16456998       1.74479004      -0.67905882      -0.56153301      -0.15417338 
O       5.21755005       7.46119999       6.27496003       1.73238568      -0.93092970      -0.48491367 
O       9.19121002       7.21862003       3.52478003      -0.31096897      -0.71141621       0.87920628 
O       5.10058995       7.24261004       8.78669997       1.32918360      -1.03343184      -1.10170703 
O       7.32908002       1.99639005       1.49509000      -2.43619941      -0.19678663       0.66794563 
O       7.73509003       1.63557996       9.57483997       0.80430642      -1.49868214      -0.53141092 
O       9.12303000       7.03828002       0.90074298      -0.22960966      -0.97225971      -0.47300388 
O       3.49949004       9.14033995       6.51450997      -1.91988094      -0.24870273      -0.09707770 
O       7.50108996       1.82061001       4.39577997      -2.05377678      -0.75561588       0.51425457 
O       7.27528001       8.88150003       4.50554004       1.86987461       5.59041996      -1.49210172 
O       8.91857002      10.85517275       0.94349396       0.69538442      -1.04803441      -0.74461963 
O       3.75718999       9.35813005       9.11551997      -0.32059976      -3.08869103       1.77409241 
O       6.97598998       9.15863002       9.14511999      -0.58226785      -0.67871609       4.63794988 
O       9.37131000      10.16419999       8.98247004      -0.79156297       4.92501703       3.12500011 
O       8.91647004       0.11240925       3.65400004       1.11074986      -3.91654515       2.36563710 
O       5.09435997       0.02790919       6.38808001       2.19670708      -0.33937144      -0.80261694 
O       1.84322001       3.71604999       5.64205996      -5.49436258       0.54286104       3.24865547 
O       7.06284995       1.85334995       7.11084996       0.90714951      -0.74907582      -1.05052252 
O       8.85715003       3.84298997       6.45960004       0.96709150      -0.70487579      -0.00597471 
O       3.31470003       9.27123998       1.07952003       0.20855839      -4.09233178       2.89282418 
O       7.41194995       5.37794997       4.17083000      -0.67703721      -0.73584520      -0.02887099 
O       9.07015002       3.44584998       3.52244005       0.14893200       3.09006671       1.02910909 
O       8.95866003       4.05661998       0.71170404      -0.38210679      -0.60422211       0.25120943 
O       7.20188001       5.73912995       1.64096999       0.78079316       0.18096211      -0.71852798 
O       9.26827005       3.87552998       8.94730003       0.00292535      -2.93273597      -0.24365841 
O       5.28804999       7.54703996       0.86838403      -0.32505018      -0.38511412      -0.48231439 
O       3.58191001       5.28980997       1.70771999      -0.13005539       0.41703762      -0.82172189 
O       3.45999995       9.22630998       3.99076999       0.55679320      -1.69627382      -1.00292942 
O       1.90051001       7.30958001       3.30863996      -0.20172089      -3.52556593       1.44441147 
O      10.86969996       9.12183005       3.87515005       0.33463591       0.97784787       2.68290905 
O       0.09702825       5.49671005       6.49927001      -1.62295728      -1.82119060      -0.22734916 
O       9.31094000       7.26306997       6.19466996      -1.61213486      -1.58433959      -0.25882852 
O       9.01503999       0.03960918       6.46700996       1.10224310       0.23579874      -1.94528041 
O       5.87929998       3.69076996       8.96337000      -2.19600654      -2.30191731      -2.27062694 
O       7.03846996       5.80071999       6.65655002       1.92294764      -0.98256623       1.33328813 
O       2.33470999       6.91965001       8.34660001      -0.02575569       0.49203074       1.86616455 
O       1.73619002       7.32007005       0.31331702       1.02722473      -0.45447964       1.96145046 
O       3.63795996       1.51934995       3.98728996       0.81140319      -0.20899568       0.63195142 
O      10.82220002       1.82443999       6.82376004      -0.45549351       2.87431424      -1.49767037 
O       1.37716002       0.16463505       6.25389004      -1.17950630      -0.63457505      -0.46300553 
O       2.08664003      10.70280004       8.53219004      -1.46495353       2.55860905       0.18669573 
O      10.46369995       1.75191004       1.30467996       0.37652383       1.37107100       0.29639076 
O      10.77480004       1.56956001       9.21315999       0.26179348      -0.52998728       0.90556634 
O       1.51417996       0.03572009       0.99526299       0.52675548      -0.18464370      -0.98672188 
O       1.77731003      10.90080000       3.59188003      -2.06353472      -1.21652485       0.70009762 
O       0.00140922       1.91930003       4.27493002      -0.27163318      -1.17925310      -0.26694874 
O       2.40386003       3.41751005       3.30861001      -0.32463105       2.44910500       0.85145036 
O       5.55058004       7.41409003       3.64815999      -0.98666125      -0.87044818      -0.99548667 
O      10.78660000       8.87574001       1.35211997       0.50548882       0.64423318       0.37070098 
O       1.68244999       3.12841005       0.98995401      -0.86737682       1.37253859      -1.75382195 
O       3.60575995       5.17400005       6.83966003       0.13792747       0.06082067      -0.66389780 
O       5.47772998       3.59402997       6.41123005       0.33120256       0.71508623      -1.27571964 
O       1.22077002       3.85502996       8.95002998       0.16513103      -1.45706228      -0.50390468 
O       3.90184001       5.10291997       9.62192998      -0.59627345       3.51861760      -2.55605156 
O       8.72208002       7.50214995       8.98114999       0.49349285      -3.09161523       1.05960750 
O       5.38462003       3.84521003       0.91810604       3.40738908      -1.09473195       1.24331738 
O       5.61188995       3.42525998       3.66837002      -0.01023674       2.02198725       0.40603324 
O       3.98724001       5.45654995       4.10844003      -1.09927824       0.59803512       1.97743183 
O       0.48364502       8.95494002       9.41304998      -0.07513137      -1.51140942       0.36436114 
O       5.50404001       0.00159476       8.98441996      -0.42265721       3.42497047      -0.18978827 
O       3.21581995       1.95067997       9.46879003       1.12214489       0.09980879      -1.84199784 
O       3.62045996       1.74046997       1.31384998       1.70036565      -1.41205247       1.58548555 
O       5.24462995      10.79820002       1.11294997       1.20670091       0.10099197      -0.56352970 
O       5.60616003      10.79459996       3.74079999       1.76494407       1.14187904      -0.53640153 
O       3.51788997       1.93195004       6.59952999      -1.92835834      -0.35767127       1.22477971 
O       0.01481108       8.70868003       6.92257997       2.33941076       0.16984876      -3.48482268 
O       1.82942004       7.12362004       5.92292999       1.93425490       0.48786232       0.55252973 
O       0.22532395       5.17657999       1.10705003      -0.77263348       1.55519097       0.10170520 
O      10.66499995       5.90037004       8.99831002       2.25596149      -1.25552431      -1.55239584 
O       7.49571003       9.09577005       7.05689005      -4.57091268       0.15954183      -4.64991961 
108
Lattice="10.98906193 0.0 0.0 0.0 10.98906193 0.0 0.0 0.0 10.66107514" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.016820258709394846 -0.0013858600176622925 -0.003740897147161767 -0.0013858600176622925 -0.027168987210826237 0.000542510887199185 -0.003740897147161767 0.000542510887199185 -0.0006315731467200798" pbc="T T T" energy=-1052.77412482 free_energy=-1052.77412482 config_type=crystal 
Hf       1.80340001       1.74743997       2.96338997      -0.74965624       0.36683984      -2.01523643 
Hf      10.64119999       7.21115002       0.01722489       2.37518183      -0.64184389      -0.99221541 
Hf       1.53734998       9.08790004       8.18852000       2.07517286      -1.85265127      -2.66161231 
Hf       7.39166998       3.66022004      10.51910000       1.27122598      -1.80983044      -2.25548817 
Hf       9.00796000       5.62497003       2.75829999       0.43579403      -1.20178123       2.27570132 
Hf       3.41815002       7.21475004       5.06595005      -0.17146825      -4.04095640       0.40581690 
Hf       3.56062002      10.81180001      10.56840001      -2.01243630      -2.06143616      -1.76358189 
Hf       7.44698002      10.55360002       5.23866000      -1.94169536       1.81100067      -0.91960045 
Hf       5.44104995       1.60992999       2.13577998      -4.71646567       4.00842926       3.91538690 
Hf       5.60467005       1.61103000       7.76016003      -0.31973940      -1.39951167      -2.01120597 
Hf       1.66804004       9.17629001       2.52479995       0.93992010      -1.07012407       2.15368203 
Hf       3.29166998      10.60280003       5.42534001       1.78865364       1.19834946       0.05856236 
Hf       3.45667998       3.23513005      10.24760005       0.21502725       0.81047324       0.54001026 
Hf       7.11703002      10.90209999      10.53719995       0.81292259      -2.13807241       0.74187455 
Hf       8.88680999       1.57691995       2.57099002       2.42426922       0.45800298       0.70373899 
Hf       5.45682002       5.33916002       8.04458003      -4.80438663      -0.62667220      -4.14182562 
Hf       3.56930995       3.56495004       5.20348005       2.48720406       0.46856710      -1.23218424 
Hf      10.93772334      10.90514506       5.54660004       1.42517041       0.31549480      -4.20039269 
Hf       8.93464999       1.65302997       8.19764002       2.83664250       3.96137406      -3.98689090 
Hf       5.20476995       9.36412000       2.80529998       1.69797783      -4.22970592      -0.41035309 
Hf       3.47778997       7.13023998       0.09492483       0.32784232       1.61719477      -2.75875066 
Hf       5.25968999       5.27730996       1.99970000       1.39647307       1.98421395       2.83889074 
Hf       9.11907996       5.51941998       7.56254996       0.42517517      -1.60171361      -0.57860055 
Hf       0.16640198       7.26608006       5.00280002      -2.25432640      -0.34368935       1.53153725 
Hf       5.32554996       9.16486996       7.73253995      -0.70168485       1.33500786      -0.61541291 
Hf       7.00730996       3.43100997       4.86178001       0.91506487       0.73192180       0.39607391 
Hf       7.18729002       7.02549004       5.32394999       0.24774421       4.44645150      -0.16325804 
Hf       0.06757910       0.02455891      10.47200001       1.26145968       0.76683458      -0.02793998 
Hf      10.89959998       3.49510005       5.30320001      -1.40524065       0.19794173      -0.56384662 
Hf      10.96469995       3.51433003      10.38389998       0.31086740       1.64510715       1.39983270 
Hf       1.89572000       5.52234000       7.94032996      -1.39838449       0.29873155       1.94917353 
Hf       8.89886004       9.18274004       7.77466005       3.99323353      -6.21193672      -4.22328385 
Hf       1.71076002       1.77393998       7.69822995       1.74787328      -0.93695384       1.57993228 
Hf       7.27042997       7.34967000       9.93037998      -1.78591923      -7.84061257       5.09597510 
Hf       8.95470997       8.90531996       2.35450996      -2.40065160      -0.30241349       1.94298311 
Hf       1.52982995       5.19934004       2.41503000       1.96770536       2.69319940      -1.51438868 
O       6.91609997       5.21065998       9.07332005       4.07812879       0.46808991       3.26802106 
O      10.71990002       5.36822005       4.11544004      -1.34928205      -1.07209704       0.41758084 
O       6.97071001       9.57225998       1.60068005       0.74198463      -0.66626813      -1.23408655 
O       5.16575999       7.08956001       6.08731996      -0.05799801       0.81613769      -0.00471743 
O       9.24584000       7.42542003       4.04258001      -0.81937739       0.03354405      -4.12194300 
O       5.68933000       7.55457997       8.72811998      -0.18451742      -3.67602430      -0.51676007 
O       7.17641997       1.20878000       1.43467996       0.46941507       0.91525639      -1.12152534 
O       7.33038002       1.60944999       9.19616005      -2.26611992       0.18933057       4.13538486 
O       8.81395998       7.53897000       0.83157996      -1.11827131      -1.51961358       0.75350625 
O       3.52834998       9.20647004       6.94685997      -0.48596774       0.51339201      -1.98729179 
O       7.22178996       1.42991004       4.07560003       0.07821850       0.05100604      -1.27672832 
O       7.19760996       8.87388004       4.15856995      -0.96715220       1.00025897      -1.84024048 
O       9.17299999      10.82869998       0.66677296      -0.87349827      -0.49851764      -1.15260580 
O       3.65829004       9.02285996       9.49951998      -0.30281778       0.58184931       1.59521813 
O       7.61725004       8.86138998       9.11983005      -2.41134665       8.58029964       1.37869365 
O       9.28639997      10.83189999       8.58934999       1.40432672       1.26647119       2.40963005 
O       9.40968999      10.46678094       3.25859003      -0.19633001       4.05610523       1.56124424 
O       6.02932004      10.81210001       6.60864003      -4.72225737       2.20069905      -0.16942051 
O       1.95093003       2.42364003       5.79378996      -2.74986380       2.12839668       0.31371852 
O       7.62027005       1.37306999       6.74736002       0.90716194       1.80953902      -0.01907445 
O       8.81870000       3.96373002       6.17251005       1.79550045      -0.42823318      -0.05497957 
O       3.64861999       8.89799004       1.56685000      -1.71811761      -1.50188156       0.43235889 
O       7.43559996       5.61426998       4.08065999      -0.40453719      -3.01920746      -2.57811098 
O       8.64399996       3.42920996       3.57384004       0.77645204       0.52610058      -2.07453921 
O       9.13304003       2.93745999       0.83680698      -0.30660232      -0.70029621       0.56632676 
O       7.48108995       5.07309000       0.99362404       0.64491835       3.37571984       4.00529309 
O       9.09465996       4.05940003       9.30411004      -0.02008836      -1.04601345      -1.08016320 
O       5.39527996       6.74462006       0.45806695       2.33336440       0.43159739      -0.72040062 
O       3.59352995       5.37649998       1.14407004      -2.03233935      -1.29911399       1.97727466 
O       3.04340004       8.88739999       4.24889005       2.61455597       1.34008373      -1.10677400 
O       1.58027996       7.07462005       3.53996000       1.16675497      -1.21520963      -1.85157176 
O       0.63839900       9.09124006       4.51537002      -2.37683777       1.81619342      -0.38858414 
O       0.20367699       5.32466996       6.96975005      -2.82501775      -1.86179405      -2.69872457 
O       8.99194003       7.14052002       6.49417996      -0.10090094       0.92864743      -0.56829681 
O       9.24272999      10.19960003       6.05433001       0.17262031       0.82450933      -0.61796363 
O       5.11002995       3.17198998       8.81379003       1.38418798       1.10146448       1.00110451 
O       7.13744001       5.60643006       6.52719997      -1.20870291      -2.71503738       4.20043380 
O       2.30221001       7.29057995       8.54682999       0.62436671      -0.38239610       2.64603869 
O       1.63092998       6.71965005       0.72897799      -0.51467771       1.70209621      -0.07597934 
O       3.49304004       1.99358001       3.81245004       1.31373813      -0.57967979       1.27834128 
O      10.47239997       1.89244998       6.59750997       1.33359247      -1.21290873       1.39748080 
O       1.68069999      10.94389996       6.55263005      -2.78595099      -0.63754509      -0.07714111 
O       1.69503006      10.90228878       8.89461004      -1.83592651       2.10453043       1.87202828 
O       0.33479100       1.47772004       1.15098001      -0.95550198       0.32326916       0.77504849 
O      10.98330004       2.06980003       9.09104003      -0.75838477      -2.67279563       0.19411404 
O       1.85538003      10.53600005       0.88153605      -2.98949549      -2.22357549       0.70074478 
O       1.88730996      10.85456098       3.89213998      -0.74096133       2.85080642      -1.78548595 
O      10.53380004       1.72457997       4.18172005       1.02020357      -0.43578992      -1.06716828 
O       1.47956005       3.78536997       3.70147998       0.03280177      -3.24554455       1.61414783 
O       5.33457000       7.12133004       2.89595004      -0.18956063       1.60969091       1.42915939 
O      10.87539997       8.50933000       1.81100003       0.41273735       0.42695890      -1.04754524 
O       1.86863998       3.58213001       0.92795405      -2.30159653       1.51692879      -0.04204866 
O       3.19117996       4.91024001       6.70993997       2.33487968      -0.91529877      -2.12513960 
O       5.54390999       3.39292001       6.37863000      -0.20128712      -0.19958684      -1.43785448 
O       2.00738996       3.56258003       8.83785997      -0.19943376      -1.94535251      -0.84523275 
O       3.90352996       5.04747999       9.39324004      -0.37507790       3.41405810      -0.56600584 
O       9.22977004       7.29812999       9.09344997       0.10079531      -2.78236717      -0.84151194 
O       5.53919996       3.39415002       0.87108798      -0.87452880      -2.22474445       0.11164754 
O       5.29455004       3.50643999       3.51968999       3.29590228      -0.63856255      -0.11357549 
O       3.82239003       5.25432996       4.05959999      -1.73063653       1.16785525       0.41106521 
O       0.11052700       8.98551000       9.57378002      -0.68875787      -0.39391119       3.13270323 
O       5.44937999      10.73039996       9.02598999       1.73553457       1.15988544       2.58863163 
O       3.44419003       1.38019002       9.43545001       0.20968890       2.08277888       0.32266151 
O       3.08437001       1.55097005       1.42704003       3.28301766       0.30466426      -0.82089126 
O       4.97317998      10.82733997       1.26027000       2.71349618       1.64136194       0.29359513 
O       5.00353001      10.71149998       4.27437002       0.57319142      -0.02770536      -1.92055831 
O       3.73716996       1.31180004       6.98903998       0.25677707      -0.23043991      -0.96799252 
O       0.01043807       8.46363000       7.08925004      -1.88642729       2.65181203       0.08107368 
O       1.69278004       7.27035997       6.15121999       4.45985227      -1.78979581       0.16042658 
O      10.73649999       5.43248002       1.65411997      -2.56182474      -0.15823201      -2.18031987 
O       0.40824596       5.29460004       9.39413003      -1.83098669       0.92357366       2.94152050 
O       7.16722004       9.16063005       6.59526998       1.93424922      -5.72465332       2.63963150 
108
Lattice="10.99273866 0.0 0.0 0.0 10.99273866 0.0 0.0 0.0 10.66464214" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00038235167212346334 0.00643857221861666 -0.0037973377722626675 0.00643857221861666 -0.022559411353757285 0.0004839939866385049 -0.0037973377722626675 0.0004839939866385049 0.02916660436392257" pbc="T T T" energy=-1055.82719368 free_energy=-1055.82719368 config_type=crystal 
Hf       1.43604004       1.81166005       2.56838998       2.92876881      -0.21958043      -0.92366533 
Hf       0.04940280       7.46207997      10.44489996      -1.33382361      -0.08783598       0.43698691 
Hf       1.94718997       9.14251003       7.95335001      -0.57663732       1.59435807      -2.46974474 
Hf       7.03919998       3.52875002      10.60419996      -0.02122600      -1.46307210      -1.65925709 
Hf       9.08823998       5.41436999       2.77780004       0.46808587      -0.39114038       2.26004932 
Hf       3.50785997       7.13549000       5.36476003       0.87719244       0.33868306      -3.01049914 
Hf       3.55416996       0.09287644       0.02723718       0.91671425      -2.25764280      -1.37326054 
Hf       7.48827996      10.85569999       5.20086997      -4.41766282       0.50369404      -0.70025673 
Hf       5.38872997       1.81454004       2.63569005      -0.98139460      -0.55181435      -1.26307216 
Hf       5.12860000       1.44834004       7.38967995       1.67742199       0.92565667       1.46633379 
Hf       1.88512002       8.77507005       2.80854001      -2.26325425       1.11302247      -0.99690228 
Hf       3.49960002      10.73360002       5.08148005      -0.37534329       1.83958671       0.28151892 
Hf       3.39469005       3.78934003      10.59774593       3.83143596      -1.26383953       1.20807623 
Hf       7.16154004      10.82960004      10.19929997       1.12878257      -0.68541943       0.13492801 
Hf       9.12629003       1.41355000       2.30002001      -2.34730428       3.14423749      -1.78888745 
Hf       4.91525997       5.42597997       7.87309005      -1.15212587      -4.30627871      -4.07780179 
Hf       3.53254999       3.51212998       5.09910998       0.46101047       0.42483969       0.49034663 
Hf      10.83870005      10.66409996       5.03664003       2.91175784      -2.56619953       0.19273230 
Hf       8.82479999       1.89631997       7.67250999      -2.44004679      -3.87693392      -1.10388683 
Hf       5.41493996       9.19548998       2.45338002       0.80853181      -3.58903296       4.43361829 
Hf       3.55789001       7.35208004      10.56180001      -0.07236029       1.98947548       0.66827073 
Hf       5.30483999       5.61192005       2.23926003       1.00219762       0.21648367       1.00634653 
Hf       8.84205001       5.46789000       7.85271002       0.99259419       1.37314446      -3.76444466 
Hf       0.03408727       7.24748995       5.76731999      -2.93778484      -1.22792172      -1.79266642 
Hf       5.51149996       8.74476999       8.00357003       0.23756282       0.81077804       0.30469438 
Hf       7.38127004       3.45575999       4.89280003       0.40815467      -1.39965591       2.56575110 
Hf       6.95556997       7.23813997       5.19926995       2.29137128      -1.47526966       0.69056255 
Hf       0.05348506      10.89630002       0.01972682      -1.31418191      -3.82655981      -1.95372243 
Hf      10.91340000       3.38086998       5.06821003      -1.97013359       2.25512248       0.41745229 
Hf      10.78190002       3.43320003      10.24589998      -1.44909335       1.07797450       3.48164244 
Hf       1.57645997       4.90093005       8.03083002       0.17884446       3.78598459      -1.34304639 
Hf       9.21678995       9.24655004       7.79868999      -1.88735850      -3.12242489       4.28263838 
Hf       1.54490003       1.53474000       8.01826004       2.78712972      -1.53070253      -3.30522369 
Hf       7.48633996       6.97884996      10.65789995      -3.09860073       2.93986605      -0.37312499 
Hf       9.09250000       8.90630004       2.49753996      -0.20640865       0.67848413      -2.81974727 
Hf       1.80127005       5.29357001       2.38184000      -1.85780687       1.55441453       0.29163200 
O       8.17131004       5.43680001       9.66673995      -1.53898285      -3.72870812       0.05633538 
O      10.53460001       5.82941996       4.40299999      -0.56840821      -0.50912380      -0.36245786 
O       7.44445004       8.82641999       1.34940997      -1.63012527       0.96886253       0.54389069 
O       5.26189004       6.94725001       6.34334002      -1.60734471       1.82482895      -0.44841727 
O       8.52176998       7.34009004       3.42021003      -0.26621928      -1.26686566       1.36259940 
O       5.30404004       6.77235004       8.96027001       2.64547141       7.97089877       3.81669856 
O       6.84574999       1.49704996       1.11776999       0.13895541      -0.25191864      -0.19788326 
O       7.31282002       2.13735995       8.91063005      -1.37644425       2.48479513       3.88864157 
O       9.08286003       7.44293997       0.71383100       6.83998925      -0.13352311       1.87545166 
O       3.74032000       9.42817998       6.79722997       0.14951727      -1.46456257       0.76643503 
O       7.60566998       1.59241999       3.88518000      -1.66215890      -1.76016637      -0.49784474 
O       7.19820005       9.55342003       3.67642998      -0.35400655       0.31222175       1.21625309 
O       9.18382998      10.84150001       0.93020699      -0.73488381       0.27148370      -0.51979609 
O       4.23003002       9.27319995       9.62147004      -0.52218971      -2.11050495      -1.02493102 
O       7.59505001       8.69501004       9.43085001      -1.75690372       1.61469691      -2.01070720 
O       8.60397005       0.20183295       8.84810997       0.20975643      -2.95687744       0.26175062 
O       9.53604997      10.84529998       3.33512005       0.36924260      -2.81545008       3.14146255 
O       5.51066000       0.22931304       5.77850997      -1.95317551      -0.48399632      -0.44765530 
O       1.58575004       3.56385005       6.59055005       0.33046600      -3.16874352      -0.71316384 
O       7.02430999       1.71801995       6.65626003       1.33789081       0.24118632      -2.56781688 
O       8.66223003       3.69023005       6.63681999      -0.00038820      -0.15109294      -2.92295904 
O       3.17594005       8.85571003       1.35823005       2.93313151      -0.14495343      -0.44914174 
O       7.21453999       5.17591000       4.17391996      -0.23658054       2.85102281      -1.08710681 
O       9.07405000       3.38306996       3.70014004      -0.86655063       3.35016053       0.81008628 
O       8.75050996       3.19662003       0.79133500       2.26240657      -0.18787732      -0.74433468 
O       7.49293000       5.54895002       1.54354997      -2.65801902      -0.97333354      -0.49281751 
O       9.94373997       3.15782995       8.44939003       3.34394893       4.16725382       4.03935930 
O       5.57852004       7.19812003       0.75913098      -2.48296387      -1.11039800       1.99003600 
O       3.44692996       5.56125001       1.14040005       2.37403297      -1.23714140       0.01205181 
O       3.79965001       9.04217997       4.04259001      -1.77477321      -1.30091814       1.32114020 
O       2.08093005       7.03580004       3.63409999       0.88883819      -1.70786540       1.76977612 
O       0.09245113       8.67337996       4.10693001      -1.19146047       0.02360199       1.97104051 
O      10.97029995       5.23083995       6.76625003      -0.94962258       1.82616073       1.40087624 
O       8.73644003       7.48825995       6.39288998       2.68466578       0.84199409      -1.21996869 
O       9.04104002      10.65279998       6.37237003       0.60350411       0.54959344      -1.40045427 
O       5.22747001       4.01825997       9.23759998      -0.09555721       0.12617092       2.07665879 
O       7.17600000       5.76455005       6.73094004      -0.11004621      -0.78944385       1.65754223 
O       1.84414997       7.89681003       9.40343004       0.02329872      -0.16855203       0.05194790 
O       1.52953999       6.97439999       1.10297003       0.60119497      -1.65242978       0.15913306 
O       3.08489005       1.96078996       3.80028998       0.36347004       0.67455519       0.51632207 
O      10.65759996       1.44131996       5.68299999      -0.44848066       3.91792177       2.32146220 
O       1.55488001      10.85740002       6.36880004       0.29726807      -0.13972556       0.88684163 
O       2.03286001      10.79086570       9.11520998       0.99135242       1.25844732      -0.51627489 
O      10.95365079       1.70845000       0.77432298      -0.13851844       2.22740334       1.08881374 
O      10.93460004       0.94346697       8.77929999      -0.61076343       0.91629015       0.45734891 
O       1.75983995      10.86230003       0.88033102       0.51465335       1.29586016       1.98166898 
O       1.64052004      10.75419997       3.80406004      -0.27181430       0.28051303      -0.71825331 
O      10.66929997       2.01554996       3.39937996       2.73874355      -1.60184385      -0.82237818 
O       1.23976997       3.83865005       3.74050997       1.37764222      -0.90235680       1.32358407 
O       5.21135004       7.12963999       3.59063005       1.42413645      -0.35521000       0.11027681 
O       0.27155802       8.89116997       1.44639998      -2.41321637       1.39838233      -0.10437482 
O       1.79488997       3.41570003       1.32653004       0.96085455       1.52890738      -1.37424632 
O       3.20092995       5.60584997       6.63645003      -0.47155755      -2.31243978       0.55843444 
O       4.96653999       3.92756998       6.57267995       0.17022651      -4.26953862      -2.42279618 
O       1.98264001       3.37845004       9.33442000      -2.37528665      -2.94427002      -1.98198712 
O       3.08586005       5.85111996       9.36471003      -0.46428677      -4.27753203      -2.09577719 
O       9.67177995       7.16803004       8.60862999       1.10210694      -0.25953236       0.30831893 
O       5.49989998       3.64629999       1.21736997      -1.64202484       0.84518210       0.99461497 
O       5.48327005       3.30716004       4.00104995      -0.40746822      -1.79346892      -0.02807724 
O       3.65936002       4.94112995       3.58895997      -0.24326747       0.19776642       0.46055428 
O      10.63710004       9.21662000       9.49513999      -0.27116948       1.56392245      -0.30628619 
O       5.88229998      10.74470004       8.47894005       0.48804864       0.00091738       0.39051571 
O       4.21919997       1.63800996       9.41002996      -1.26325943      -0.64145934      -1.18731790 
O       3.50876005       1.66453005       1.13161995       1.68405024       2.08869701       2.14470149 
O       5.49293003      10.25700005       1.06457999      -0.99984119       5.16631001      -6.53059682 
O       4.69134997       0.07346128       3.38773001       1.53467736       0.85993174      -1.28438469 
O       3.24418000       1.65578994       6.43020001       2.18821693      -0.31899721       0.98105100 
O      10.96345851       9.06935995       6.98804004       1.72594703      -0.46175665      -1.53763032 
O       1.92278004       7.38479003       6.46562998      -2.12049899       2.69348701       0.85685119 
O      10.70139998       4.90898003       1.83017001       0.82079730       0.42057975      -1.20531293 
O       0.43560904       5.28916995       9.79592001      -0.96817551      -0.27875728      -0.70800418 
O       6.76418002       8.97217997       6.33110000       0.12292230       1.14684641       0.46625624 
108
Lattice="10.99663946 0.0 0.0 0.0 10.99663946 0.0 0.0 0.0 10.66842651" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006964613960243852 0.0005285539989824323 0.011012287559900961 0.0005285539989824323 -0.020652727889312116 -0.0038660064312430143 0.011012287559900961 -0.0038660064312430143 8.485121317780748e-05" pbc="T T T" energy=-1055.1557181 free_energy=-1055.1557181 config_type=crystal 
Hf       1.72960996       1.79185995       2.50272997      -1.89961691       0.84304612       0.19384167 
Hf      10.72440006       7.41176997      10.63220005       3.40191703      -2.98341926      -2.54866250 
Hf       1.82434996       9.13053998       7.55733006       0.06037125       0.22679956       1.46188328 
Hf       7.23264999       3.32050995      10.45040004       0.55667497       1.96266923       0.52411506 
Hf       8.90444996       5.41896996       2.84107004       0.13600639      -0.98962966      -2.95485781 
Hf       3.67529002       7.12786005       5.17234997      -1.95253597      -0.68108370       2.91015349 
Hf       3.93453998      10.77779996      10.65060000      -6.48342689      -0.83626355      -3.77098748 
Hf       6.90500996       0.01211907       5.11368002      -0.45954394      -0.76101250       0.21364489 
Hf       5.20477005       1.61930003       2.23250000       2.45925173      -0.01466021      -0.05230128 
Hf       5.38336999       1.56768004       7.97675999      -0.13130964       2.15649876      -1.00277828 
Hf       1.81058998       9.21417998       2.65193997      -1.68492195      -5.58248056      -2.22140903 
Hf       3.43377996      10.71489995       4.97362001       1.50516001       0.83878136       1.16499196 
Hf       3.50232003       3.40907997      10.47639995       1.92778125       3.92401932      -3.25666031 
Hf       7.33614003      10.68650003      10.61252929      -0.98901267       2.21339642      -0.46726054 
Hf       8.95656996       1.50287003       2.55037004       0.22302065       0.15024530      -0.89832325 
Hf       5.61987999       5.54076995       7.87059997      -1.44866133      -4.71862019       0.89171579 
Hf       2.98797004       3.51085001       5.10728003       2.95791757       0.52913554       2.92976627 
Hf      10.79420001      10.91970004       4.92646002      -3.03542995       0.42796335       2.31187727 
Hf       9.28708001       1.48522999       7.74914004       2.10333827       3.43053293      -1.72519030 
Hf       5.34795003       8.44292001       2.55260998       1.10645147       0.38361807      -2.02202353 
Hf       3.26409004       7.25475005      10.44840003      -1.56069803      -3.29017889      -1.07203891 
Hf       5.68033996       4.93026995       2.63350002      -1.82156628       5.05480321      -3.72710936 
Hf       9.06369999       5.72223000       7.73056002       0.27002206      -4.17279815      -0.62394030 
Hf       0.00284747       7.25004998       5.50672000       1.58576406       2.08798304      -1.19241807 
Hf       5.40248996       8.89933003       7.96133995      -1.21185291      -0.16037071       0.13887207 
Hf       7.43011995       3.29087005       5.13686998      -2.55476444       2.62989027       1.48735073 
Hf       7.16248000       7.37257002       5.14638995       2.23034949       0.92366474       0.40481365 
Hf      10.99518746       0.12305503      10.40040000       1.80195881      -0.76427314       0.20308567 
Hf      10.61110003       3.80539995       5.23954004       1.25616453      -3.39215769       1.88698200 
Hf      10.85600003       3.79287995       0.19224398      -1.54629695       0.24005519      -1.76683870 
Hf       1.95505998       5.33790999       7.72213996      -0.86356296       4.02443508       3.57252850 
Hf       8.86405996       9.18559004       7.94653004       1.62203320      -0.55557926      -2.00746440 
Hf       1.87837997       2.08294001       7.72349997      -4.68438749      -2.99763837       3.04512206 
Hf       7.03285997       7.15036995      10.62889999       0.62188816      -1.98400420      -1.34103277 
Hf       9.03512005       8.95945999       2.15781995      -0.04653753       3.22433189       3.75403964 
Hf       1.86103002       5.13508005       2.60415000      -1.06193262       4.96275121      -2.90491588 
O       6.93095004       5.22628002       9.86645006       1.43266459       1.75773024      -1.67766253 
O      10.12009997       5.49154998       4.45978005       1.00489681       1.92285906      -1.09108464 
O       7.02271997       9.03813995       1.40102002       0.51919417      -0.08855400      -1.01629642 
O       5.58852000       7.20629996       6.65301000      -0.74113614       1.02030704      -4.10400231 
O       8.61438005       7.51650999       3.38879997       0.08468647      -1.13518897       1.50956016 
O       5.59911999       7.11271998       8.94187002       0.20338149       2.26658684       1.26843355 
O       7.21016000       1.08624002       1.40630996       0.11130445       2.61861747       2.27887012 
O       6.67448004       1.59073999       9.71972004      -0.86701736      -2.34975348      -1.27044918 
O       8.99599995       7.55692000       0.81706395      -0.36008359      -1.62303103      -1.30290870 
O       3.49943000       8.99626002       6.35799003       1.36777618      -0.95852756      -0.42511444 
O       7.45488999       1.61886005       4.12335997      -0.41278953      -2.14577431      -0.76393047 
O       6.74927995       9.28766998       3.93205001      -2.21632242      -2.55178741       1.22231963 
O       9.34301001      10.98249998       1.01073996      -1.53728801      -1.99859275      -1.71076934 
O       3.45673995       8.68307001       9.00618004       1.46687965       1.70050013      -0.22523471 
O       7.08054998       8.91599005       9.29235002       1.91020622       1.34910090       0.59898568 
O       8.68086002       0.09546051       8.80962997      -1.19607020      -4.14559809       4.28532753 
O       8.90725003      10.48960003       3.59784000      -0.03685944       2.10212960       0.58938273 
O       4.71308995       0.10367302       6.46393999       1.93882100       0.03161777      -0.06529037 
O       1.48533995       3.98104004       6.35077999       0.78131634      -0.90329097      -1.68138847 
O       7.15706998       1.06708002       6.85471997      -0.33520478       0.76666300       0.71616891 
O       9.00385001       2.99671005       6.31977999       0.75405275       0.91788101       1.36995613 
O       3.62194005       8.73777004       1.05485998       0.14870918       3.03038907       3.69234953 
O       7.45643996       5.44129996       4.21118000       0.02138725      -3.38314748       0.89045057 
O       9.15599995       3.10501002       3.83830004       2.18172578       2.58483540      -0.27458947 
O       8.54281997       3.72969996       1.48838003      -0.83780492      -0.65991481      -0.05876152 
O       7.17721000       5.91588005       1.68280997       0.42679733      -0.11069967       0.98020708 
O       8.95389998       3.03737002       9.62457997       1.38665152      -0.71339630      -2.03265672 
O       5.29182000       7.11191998       0.67242804      -1.63337676       0.94563829       2.84053387 
O       3.48940998       5.35682003       1.54357004       1.59608627       0.55020308       0.63485706 
O       3.73381997       8.80770999       3.90950005       0.25542812       0.12446697      -1.37579819 
O       1.36284003       7.21065001       3.82011005       2.04058228      -1.64560138      -0.36479196 
O       0.08796168       9.12044001       4.39117001      -0.28329208      -1.85049243      -0.67855960 
O      10.76119998       5.31047997       6.73835005      -0.50041189       1.54327529       1.12251009 
O       9.07987000       7.31009999       6.30401003      -1.99522314      -0.26248265      -0.57185741 
O       9.35646000      10.84600947       6.48675004       0.39799252       0.13185676      -0.70388419 
O       5.50435996       3.61946998       8.65227004      -0.82078919      -2.11820095       0.17279911 
O       7.29593005       5.09888000       6.80792003       1.52988693       1.87880023       1.06572798 
O       1.69889997       7.06449004       9.03040004      -2.25295891       0.47555539      -0.23756656 
O       1.41709998       7.00671997       0.97925700       1.23438646       0.84636699       0.08726657 
O       3.40557995       1.86973002       4.21506000      -2.32671114      -0.66309333      -3.14556064 
O       0.39973499       1.88345998       6.22987001      -1.62513356      -1.10452279      -0.10298614 
O       1.55357003      10.47040001       5.57194996       3.55204297       0.74255980       0.93934186 
O       1.63291002      10.98350002       8.32375995       0.90781783      -1.59372306      -0.77596990 
O      10.58038345       2.06813996       1.06656997       1.72922812      -2.39824801       1.41367855 
O       0.11216055       1.57263997       9.10875003      -1.99465489       0.81536876      -0.42157939 
O       1.87629996      10.59700003       0.54956201      -1.82162619       1.12706919      -0.00867246 
O       2.31653997      10.98469997       2.97608997       1.20420928       1.22077431       1.46512357 
O      10.93511392       1.23096998       3.41957998       1.65398697       0.30501651      -0.76472187 
O       1.40431001       3.55434997       3.84803999      -1.87462194      -1.27885758      -1.66551525 
O       5.65506000       6.67239002       4.00682000      -4.21474253       2.57450222      -1.84977993 
O       0.01756053       9.15798001       1.98045000      -0.72560986      -0.62408530      -2.21379216 
O       1.97225004       3.62770998       1.12818002      -2.48206626      -2.10097708       0.35532563 
O       3.58809998       5.55202996       6.73650996       3.65834413      -1.02208789      -1.51885510 
O       5.75408001       3.27878001       6.04642002      -1.24218832      -0.69469371      -0.16308992 
O       1.74221002       3.75064999       8.85113996       0.47656928      -1.49563062       2.70305624 
O       3.60638002       5.45639999       9.51484006       0.20924750      -1.51422276      -0.42238053 
O       9.10006005       7.17820002       8.80852002      -0.55973307       4.25074265       2.54777123 
O       5.46310002       3.68619000       0.83801397      -1.61263586      -1.07454211       1.27699253 
O       5.63792999       3.27804005       3.35103001       0.56979168      -3.14529099       1.72521178 
O       3.29487997       5.12538003       3.97059002       2.15256260       1.97892049       1.78098790 
O      10.60000002       9.14973000       9.71238006      -0.50909591       1.67403204      -0.31487572 
O       5.20331002      10.68289995       9.15979002       1.20828288      -0.43028709      -1.96633330 
O       3.45166005       1.71210001       9.23890003       1.01773268       0.24500215      -0.40781528 
O       3.60815004       1.71452004       0.85273704       0.25668590      -1.72862260       4.61823020 
O       5.40962996      10.78550002       1.02551999       1.38165811      -0.17863670       2.79661773 
O       5.11232999       0.44201300       3.76751001       1.33127936      -2.17455008       0.41382354 
O       3.32272995       2.23522004       6.64439002       3.70329078       0.03998493      -1.21910231 
O      10.92780006       8.91999997       6.89362996      -0.86821794      -1.47310466       1.32164012 
O       1.91757002       7.14522000       6.50325997      -1.87162311       0.16000591      -2.38831806 
O      10.73120005       5.22075003       1.53517004       0.19713033       0.30828298       2.28524209 
O      10.48569996       5.13347004       9.55311997      -0.83841689       2.64041030      -1.53221873 
O       7.15688997       9.16627005       6.64401001       0.19901928       0.34070727       0.00684338 
108
Lattice="11.00073695 0.0 0.0 0.0 11.00073695 0.0 0.0 0.0 10.67240171" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00896156745367483 -0.010260755678603895 -0.004058612094060585 -0.010260755678603895 -0.013260645782854755 0.008032077308414562 -0.004058612094060585 0.008032077308414562 0.0042013949414883385" pbc="T T T" energy=-1050.39219418 free_energy=-1050.39219418 config_type=crystal 
Hf       1.69288999       1.66971001       2.72487995      -0.35596212      -2.94408483      -2.14141984 
Hf      10.90284007       7.40815005      10.49890005       0.76510048      -2.13134986       1.57434440 
Hf       1.74700998       9.04317000       7.91293005      -3.16310297      -4.26260244      -0.01369409 
Hf       6.73054998       3.59768002      10.61379998       5.48511099       0.10271832       3.60418162 
Hf       9.02030002       5.50504005       2.36712995       0.85414211       0.26336436       0.19712357 
Hf       3.53750005       7.27784005       5.12011001       0.56782724      -0.56797703      -1.55374965 
Hf       3.55124998      10.63749999      10.44730005      -1.96306899       1.31454836       2.38766729 
Hf       7.19258005      10.91020000       5.19974000       2.20036631      -2.19566099      -1.39765190 
Hf       4.94913002       1.77099005       2.58645004       1.06300162      -1.73144484      -3.49227598 
Hf       5.44987003       1.38583005       7.96509002      -2.38831011       0.96931664       0.41008386 
Hf       1.59047005       8.85579005       2.57559002      -1.54845789       1.84086621      -1.39456780 
Hf       3.56366002      10.88610003       5.08800999      -2.22537543      -0.25724062      -0.35014348 
Hf       3.53343000       3.47907998      10.48359999      -4.52718179       0.00038082      -2.12584026 
Hf       7.15681995      10.75620003      10.49950005      -1.95913554       2.01397558       3.05326289 
Hf       9.37382003       2.05922003       2.56814997      -3.60447398      -2.12638824      -0.33964414 
Hf       5.57815997       5.19918997       7.94419997       3.18244571       1.18062392       1.21657856 
Hf       3.59129002       3.60068003       5.37510005      -0.49337172      -8.15426451      -2.26885479 
Hf      10.61620003      10.90119997       5.00304999      -0.28895042      -2.29139328       0.89915007 
Hf       9.07187994       1.47144999       8.01463003      -0.12762291       0.17983214      -1.34731700 
Hf       5.19298995       9.16228004       2.64678999       4.41503400      -0.77348862       0.73668141 
Hf       3.62094999       7.07646001       0.19809301      -0.81219928       0.17795036       1.34328888 
Hf       5.65582000       5.44927005       2.62387005      -1.20047200      -0.14777018      -1.47688626 
Hf       9.25059000       5.33861001       7.79368997      -1.94931413       1.12916609      -0.92177705 
Hf      10.98300002       7.17673998       5.07550002      -1.44701523       0.16478284       0.37132373 
Hf       5.00341997       8.76294999       7.71568005       2.63985780       1.11810531       0.03961979 
Hf       7.27446997       3.32566997       4.92084005       0.69357500       2.63351047       2.12479204 
Hf       7.19712005       7.37275001       5.17261001       5.47929542      -0.78623653      -2.78072769 
Hf      10.57890005      10.84189995      10.58159996       4.50768458      -0.10807401       2.88213446 
Hf      10.93969221       3.51607997       5.39797997      -4.25997927       1.11699270      -1.97765594 
Hf      10.83799997       3.74481004      10.41860004       0.82241784      -0.97859008      -0.20655896 
Hf       1.89167000       5.44250999       7.68921004      -1.98574149       1.21240255       4.55106711 
Hf       9.11049000       8.89879996       7.71957004       1.49031060      -0.22336359      -0.88950341 
Hf       1.59759995       1.42709997       7.65192995      -1.12951566       1.04774721       1.41176703 
Hf       7.27422004       7.51664999      10.23250004       1.19163502      -4.90297881       3.62192633 
Hf       8.89778998       9.08344997       2.30191997       1.74389282       1.53211044       1.58682124 
Hf       1.65814999       5.26939997       2.52160997      -2.88793411       0.62040362       0.21715414 
O       6.79887995       5.51598996       9.81057998      -0.08502061      -2.68522261      -2.16752761 
O      10.99630563       5.04440003       4.06328002      -0.19292026       2.84930247       1.89368820 
O       7.32750002       8.81174002       1.33137998      -4.20192330       1.20839492      -2.35010264 
O       5.56115998       7.46123004       5.93179003      -5.37954889       1.14921693       3.01494464 
O       9.11972996       7.50855004       3.37785004       0.41761642      -4.23775165       2.14563807 
O       6.24298994       7.40168998       8.37201995      -2.75799065      -0.21229599      -0.10265318 
O       7.22375999       1.74119004       1.51627998      -0.10886402       1.25341795       1.97263968 
O       7.59460000       1.69747004       9.89552002       0.48794244      -1.70207984      -3.69471119 
O       8.94081001       6.95569997       0.88207005      -0.32669053       0.42216660      -2.25483118 
O       3.65547998       9.13879996       6.18747996      -2.68205146      -1.88396213       2.45398610 
O       7.78607003       1.60253995       4.30258003      -0.34943838       0.16998452      -2.14739880 
O       7.25052995       9.23906001       3.82381001      -1.51844302       0.68918515       0.70208363 
O       8.83472001      10.53320002       0.75702803       1.34525777       1.51824214      -0.27793540 
O       3.31769004       8.62355998       9.50921996       1.89470805       1.73084942      -3.75076147 
O       7.43402994       9.17087998       9.34958996       0.98707224       2.55559891      -1.74428290 
O       9.49050001      10.44390000       8.92865998      -1.37207831       4.63815667      -2.51610771 
O       9.45694996      10.88459997       3.29949999      -0.37200995      -0.02348833       1.00753481 
O       5.65339995      10.32640003       6.14266004      -3.63892559       0.26417644       2.24358379 
O       1.71935996       3.36121995       5.97604005       1.65435731      -0.05429409       3.18407573 
O       6.90692996       1.46791997       6.66627005       0.27124407       1.75618437       1.69947137 
O       8.94093003       3.77855997       6.42789000       0.12643893      -1.77373814      -1.17946269 
O       4.47556996       8.79926001       0.95417600      -2.12116403       0.29350631      -1.61921359 
O       6.86594001       5.21865005       4.35861003       0.76657257       2.02516171      -1.20407103 
O       9.04464003       3.72119003       3.70627004      -0.82808661      -0.92034860       1.07565161 
O       9.27064005       3.59673000       1.26068001       3.05420311      -0.16897769      -1.84445430 
O       7.20158998       4.59980998       1.65725995       0.31350839       1.40511806       1.78541398 
O       8.88902998       3.89900000       9.12219000       1.73400023      -1.57398938       0.74813211 
O       6.12657002       6.76692996       1.01317005      -3.26757200      -0.59209703       1.03689315 
O       3.37474998       5.96442994       1.89998996       3.26210895       0.19032939       0.49950384 
O       3.45419004       8.95600005       3.69408995       0.60803203      -1.54761000       1.22769267 
O       1.68523997       7.08404997       3.62929001       0.54145752      -0.23304708       0.97765885 
O       0.25450304       9.08310004       4.15970998      -0.35686274      -0.96910858       0.54412081 
O       0.00206308       5.33314000       6.83578002       0.93733881      -0.90061528      -0.64837429 
O       9.07857994       7.06576003       5.99374001       2.15482468       0.40677699      -0.51869058 
O       8.93356999       0.26214701       6.18015005       1.72448538       0.78669891       1.25239235 
O       5.67397000       3.15898999       9.12362000      -3.17226859       0.47014090      -4.02406274 
O       7.50968003       5.78046000       6.90866004      -3.67775824      -1.36185738       1.50656324 
O       1.54049997       7.00739001       9.01194996       1.29926868       1.75598787      -3.38501987 
O       1.71985004       7.59625000       0.82318401       1.20187487      -0.32981583       0.80255824 
O       3.50477000       1.95968998       3.96368997      -2.11398187      -2.14365763       2.48869274 
O      10.56169996       1.71377995       6.66433002       2.89743595       0.95628347       2.92077068 
O       1.45352000      10.79079999       6.19643005       0.30052359       0.64497555      -0.04130708 
O       2.28952002      10.69059999       8.56520003       0.41769161       2.71984342       1.62303177 
O      10.99199994       1.17616997       1.60138000      -0.70939151       2.30720637       0.28208860 
O       0.19616305       1.66110996       9.61555005      -2.45276832      -1.04153450      -1.30768884 
O       1.71929000      10.59769998       0.72114005       1.92915247      -1.46893207      -1.85899448 
O       2.04768004      10.74710000       3.27065003       0.25534813       1.09857621       2.34395926 
O       0.16806310       1.56900002       4.32133005      -0.05152511       3.31993831      -1.57187420 
O       1.55164999       3.47481004       3.32458995       0.77012965       0.82177165       1.10769938 
O       5.46678003       7.26206004       3.47776997      -0.50685648       0.61644325       0.82624710 
O      10.82419998       9.04380001       1.42058002      -1.23197259      -0.50564918       0.54422493 
O       1.89079996       4.13886997       0.85880496      -0.58613795      -1.86937066      -1.73171193 
O       3.87461004       5.95947004       7.40943997      -0.99051800       0.46294408      -1.98608234 
O       5.15659996       3.62798001       6.36214001       3.85158290      -0.02068609       3.92816441 
O       1.53400997       3.44209000       8.88154997       2.05180511       0.44628879      -2.09997721 
O       3.97453997       5.57792004       9.70816003       0.35440261      -3.34634762      -0.41868825 
O       9.30806005       7.35248005       8.85719000      -0.39282867      -2.77018193       1.23436941 
O       4.85339995       3.84010997       1.06077995       2.83829032      -0.99560308       1.82039537 
O       5.19847998       3.38175998       3.73043001       2.84845137       0.87836147      -0.21558553 
O       3.82842004       5.21315001       4.83284002      -0.47533711       8.87708269      -3.25869432 
O       0.23436102       9.15666999       9.69581004       1.62969628      -0.08792542      -3.05307933 
O       5.55919998      10.60270004       8.90427002      -1.79380434       0.22443098      -0.77876994 
O       3.68736001       1.65169003       9.67244004       0.74303230      -1.03239367      -1.36162984 
O       3.13719995       1.38555998       1.36682004       2.59082914       2.37862552       0.95599542 
O       5.41153994       0.09776300       1.05231001      -0.56015828      -0.67157633      -0.81919412 
O       4.96335001      10.91828170       3.69078001       1.64666222       1.94416932      -0.40444935 
O       3.42759004       1.33655005       6.92770003       3.14230691       0.19398304      -1.51509548 
O      10.95700000       8.60905001       6.72928002       0.14046820       1.12763058       1.30964057 
O       1.81126001       6.89101003       6.23468005       0.93498239       1.04995511      -1.20838656 
O      10.85930004       5.85071004       1.69460002       1.37873395      -0.81180636      -0.93959458 
O       0.32736301       5.41876996       9.69155004      -3.11346150      -0.61002361      -0.03960949 
O       7.98125005       9.34027999       6.26759000      -2.89999115      -3.09700808      -0.67013267 
108
Lattice="11.00500946 0.0 0.0 0.0 11.00500946 0.0 0.0 0.0 10.67654669" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.008374577181946606 0.0034433972374689143 0.010737182135019707 0.0034433972374689143 -0.005282286303600019 -0.006445195065225608 0.010737182135019707 -0.006445195065225608 0.00032696624279689407" pbc="T T T" energy=-1056.10942537 free_energy=-1056.10942537 config_type=crystal 
Hf       1.73850999       1.85875996       2.56239000      -1.91519614       0.91286397      -0.50980377 
Hf       0.00208765       6.98590000      10.53010002      -1.00587489       0.23218416      -0.69948664 
Hf       1.72663998       9.25813996       7.72536000      -2.56958169      -1.70930660       0.23159811 
Hf       7.20992997       3.33054000       0.03848970       1.10313080       2.14222427      -0.50298304 
Hf       9.19695001       5.33222004       2.58969003      -3.23355396      -0.70165034      -4.19603048 
Hf       3.21296005       7.31504002       4.85281995       1.38751383      -0.94794895       2.23905147 
Hf       3.77825999      10.78800003      10.53370005      -1.52446731       2.19697430      -1.04933132 
Hf       7.11588996      10.65200001       4.84679005      -2.19533958      -0.40416721       3.57692161 
Hf       5.25445996       1.39821000       2.78324995       4.94359842       1.22981123      -2.72609857 
Hf       5.14599998       1.97115005       7.70182996       3.48073345      -4.13427881       0.23303769 
Hf       1.79878002       9.34739003       2.44756000      -3.59403155       0.44413040      -1.92976499 
Hf       3.24750005      10.95060003       5.33636000       1.00473749      -0.07974299       1.09337026 
Hf       3.69856996       3.38187000       0.15568498      -0.03963078       0.06135307      -1.17575532 
Hf       7.27432006       0.00329050      10.29329998       2.19326262      -4.13140873       1.37072620 
Hf       9.20489002       1.51235000       2.60314996      -2.82928839      -0.82367027       0.39973202 
Hf       5.24558002       5.34002996       8.16765997       3.17079999      -0.48859903      -1.82565759 
Hf       3.51181000       3.60321001       5.10894005       1.17016465       0.75943842      -0.31094857 
Hf      10.57229997      10.74359999       5.14050996      -0.32221744       3.30656584       1.56019816 
Hf       9.17324005       1.70068005       7.98348996      -2.13157603       2.76044298      -3.14920067 
Hf       5.22398995       8.81638996       2.41496002       9.31671905      -6.41954095       2.10551406 
Hf       3.65446001       7.13456997      10.19520003       0.61851316      -2.16075742       3.08456473 
Hf       5.46680998       5.51113002       2.57657998      -0.25773565      -1.42095223      -1.29353567 
Hf       9.12490000       5.32073004       8.01858003      -1.05897180       0.22447761      -0.98598754 
Hf      10.83589999       7.34099996       5.13732002      -1.25958026      -2.10274750      -2.86995821 
Hf       5.55113003       8.92878996       7.53170997      -0.84963778       1.39710900      -0.46187001 
Hf       7.22953000       3.58865996       5.05678000       0.81395784      -4.33620129       2.88956634 
Hf       7.33305005       6.98954002       5.47941996       0.72053644       0.16732079      -0.76219457 
Hf      10.69160000      10.70040004      10.66599495       2.56878153       0.18735439      -0.00808533 
Hf       0.00499055       3.66491004       5.02902002      -3.88284837       1.79597068       0.88659958 
Hf      10.69390004       3.39420001      10.52630003       0.24765192       1.13205938      -1.52368691 
Hf       1.89751003       5.30434006       7.52623002      -6.34942661       0.06288548       2.95188013 
Hf       9.20898003       9.06469995       8.06586005      -3.18226103      -1.20435655       4.38129986 
Hf       1.42975003       1.85436005       8.14317000       0.31160696      -1.36967629      -1.58453400 
Hf       7.41690998       7.06546005      10.67499998      -1.34910913       0.94577398      -0.74824852 
Hf       8.79149003       8.79171002       2.68943001       1.08034342       0.93143613      -1.75432425 
Hf       1.91680005       5.45796999       2.20276995       0.37382316       1.35003932       0.66097772 
O       7.47335996       5.22174999       9.62984998      -1.53766648      -0.01668183      -0.54283052 
O      10.53440004       5.57110005       3.77458002       3.15193339      -2.18746736       4.30323432 
O       7.35714002       8.89907995       1.43221998      -1.76173377      -0.70931903       1.11104607 
O       4.95216996       7.24341997       6.16296996       1.38124708       1.96575667       0.76661439 
O       8.81529001       7.06145005       3.54784999       0.58354196      -0.94098996       0.46273620 
O       5.65326995       7.24181005       9.04556005      -1.79169752      -0.54880009      -1.63923405 
O       7.43709999       1.87627003       1.80624995      -1.06308821       0.66624084      -1.28043758 
O       7.73722003       1.74137998       9.67740000      -0.36778445       0.84938612      -0.24192545 
O       9.18390996       6.99707999       0.85899897       0.88705861       0.61598731       1.22311545 
O       3.30095006       9.36667004       6.67336003       3.12846537      -0.04987096       0.60893230 
O       6.58785002       1.54130000       4.27188000      -0.10310480       1.40569138       0.66194323 
O       7.30898000       8.55228999       4.12743999      -1.92050912       1.53837962       1.83261797 
O       9.03055999      10.98407749       0.90013100      -1.79867137      -0.02307857       0.76831746 
O       3.50682000       8.99139999       9.85178997      -0.53653473       0.95612973      -2.10704644 
O       7.68351998       9.00475996       9.86915996      -0.48439233       2.30895860      -2.72872276 
O       9.32746998       0.04059055       9.01110000      -2.01511674      -4.82244785      -1.50180327 
O       8.51583996      10.63620001       3.57767001       5.08287506       1.50357464      -4.01583926 
O       5.37350995      10.70179999       5.96003005      -2.09025665      -0.62377498      -0.28357141 
O       1.53151005       3.56602002       6.19628003       3.40772148      -0.92419418       1.86406369 
O       7.41914004       1.91133001       7.11155999      -2.87736635       0.82014162       0.76946351 
O       9.20930996       3.85547003       6.36085996      -0.69246387       0.93544115      -1.09131125 
O       3.87171002       9.53357003       1.65166999      -9.12798398       4.37643140      -3.98536376 
O       7.12193996       5.30230996       4.28887002      -0.67697167       2.82216050      -0.93680290 
O       8.73135998       3.29535995       3.71620002      -0.20916409       1.28526396      -1.08734608 
O       8.98328996       4.01673997       0.69746997       1.72022153      -1.14653825       2.11991477 
O       7.10126001       5.44803995       1.48705996       0.12007258       0.88051360       1.12334616 
O       9.18479003       3.63106997       8.96725996       1.36161157      -3.63637480       0.39705994 
O       5.31945004       7.39646003       0.95211596       0.50667804       0.32396429      -1.64719980 
O       3.87462997       5.63760003       1.23322997      -1.48618414      -2.36607134       1.05498504 
O       2.93142000       9.07802999       4.07436998       1.56961953       3.05003537      -0.36315663 
O       1.36551995       7.03719006       3.25578003       0.89914877       3.41004987       0.64054671 
O      10.72409999       9.17307002       4.05690998      -0.20042620      -1.25965986      -1.08072226 
O       0.20451401       5.66430995       6.25382000       2.17726622      -1.46458106       1.60347055 
O       9.25815999       6.96198996       6.26212005      -3.62421617       0.23365597       1.00951859 
O       8.67171998       0.49960003       5.77090997       3.27151806      -1.70738379       0.66581832 
O       5.65244996       3.39480001       8.93402996      -0.55508625       2.72010993       0.96372186 
O       6.90861996       5.55050000       6.94876005       0.60855318       0.13470895       0.15634755 
O       1.83492003       7.05723997       8.44042000       0.79235697       2.17493253       0.51609049 
O       1.89924002       7.02502006       0.59127698      -0.19058903       0.65391210      -0.25071949 
O       3.70716003       1.76892002       3.88404003      -3.38612579      -1.16724760       3.15826437 
O      10.79980004       1.74582997       6.73085996       1.31627579       0.20325972       0.99272874 
O       1.45139996      10.92769927       6.15272004      -0.34515312      -0.94672360       0.00398320 
O       1.70778004      10.86799995       8.78162001       1.62549456       1.78103379       0.13731166 
O      10.78930005       1.59888998       1.42896001       2.25372610       2.10403285      -1.75645807 
O      10.94310001       1.46591997       9.33935000      -0.07618541       2.59535994       2.38947275 
O       1.68055001      10.78781448       0.89818702       1.92960455       0.80991650      -0.05283568 
O       1.22015995       0.20311297       3.53084001       1.99521407      -1.69532687      -0.10704734 
O      10.74969995       2.05150005       3.88327004       0.95428686      -1.29237596       0.80287339 
O       1.58319002       3.90511000       3.61794995       0.48349107      -3.28499615      -0.33533793 
O       4.93803997       7.18049003       3.51258002      -0.36529489       0.39810297       1.12575643 
O      10.99409997       9.15134999       1.34841005      -0.70388883      -1.56087972       1.18664616 
O       1.92668002       3.77656004       1.09116005      -0.06594512      -2.54281990       0.02556897 
O       3.48902006       5.30048005       6.63092001       3.63369400      -1.03235845      -0.90884326 
O       5.36668002       3.30157998       6.30956001      -1.00361694       2.71184828      -2.30472155 
O       1.46611003       3.44109005       9.44677998       1.92599682      -0.89591548      -2.91566754 
O       3.54246996       5.24166003       9.37494999       0.70408405      -0.93237315      -0.84123341 
O       8.80128999       7.17669000       9.04048004       2.59151076       0.09164033      -2.38647293 
O       5.52096002       3.48093996       0.99451200      -2.74836236      -0.39446963       0.01209719 
O       5.19699004       3.68253005       3.51832005      -0.55859118       0.38064098       1.22566114 
O       3.13961001       5.53238003       4.14530997       1.17366622      -2.47356111      -0.56463372 
O       0.03759014       9.11541005       9.43044006      -1.19839985      -2.62873234      -1.41942104 
O       5.37029000      10.65559997       8.60432005       0.33010773      -0.09744209       0.47710600 
O       3.84467005       1.71031999       9.42004996      -1.70940532       0.55371473       0.69453641 
O       3.50201004       1.65516003       1.56408996      -0.05854850       0.33014002      -2.15197888 
O       5.58765995       0.34319199       0.41774701      -1.70369201       0.10768232       2.18542331 
O       5.97795999      10.41570001       3.02929001      -0.94390492       4.93585971       1.54530548 
O       3.50979003       1.74558004       6.52741003      -2.04026234      -0.52568485       0.03798461 
O      10.38489996       9.22683005       6.61148004       2.53895483       0.93947738      -1.43789737 
O       1.50422995       7.78319995       5.86419000       2.33303462       0.76871768       1.71296251 
O      10.96030370       5.54017004       1.30406000       1.11674919      -1.64977780      -0.10460351 
O      10.91587351       5.22370998       9.15157004      -0.22342478       2.56009211       1.16248134 
O       7.40292999       9.11139003       6.74232999      -0.26951769      -1.16043703       0.97456497 
108
Lattice="11.00963151 0.0 0.0 0.0 11.00963151 0.0 0.0 0.0 10.68103079" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007309471289221798 0.000495366752763941 0.006661337321643685 0.000495366752763941 -0.010120717291395393 -0.012009027394490864 0.006661337321643685 -0.012009027394490864 0.0014412030109683149" pbc="T T T" energy=-1053.06606134 free_energy=-1053.06606134 config_type=crystal 
Hf       1.75392997       1.79846999       2.80613996      -0.45455986      -2.60504915      -2.35584619 
Hf      10.83859997       7.03182005      10.56499998      -1.98620761      -0.25544715       0.98430322 
Hf       1.63038000       9.03980002       7.55845002      -0.61060328      -1.80953769      -1.61116179 
Hf       7.17852999       3.43203001       0.22628405       1.73617435       4.51470595      -1.53785850 
Hf       9.30736005       5.44386996       3.16385996      -0.95154573      -6.88478737      -4.41056139 
Hf       3.50977001       7.33161000       5.56787000       0.19732022      -2.07529822      -0.26457315 
Hf       3.33070000       0.10145001      10.31900003      -1.58924170      -1.77802959       3.47196128 
Hf       7.20531004       0.06888859       5.43237995      -0.30739886      -3.75090236      -2.33540230 
Hf       5.52829005       1.51504002       2.45910002      -3.01637136      -0.16864849       2.31887980 
Hf       5.20137005       2.10927001       7.81582003       0.13611369      -3.03854026       1.28222333 
Hf       1.36173002       9.09560003       2.12683996       2.26473666       0.67772153       2.82997196 
Hf       3.97027999      10.76460005       5.34200999      -4.06488622      -1.32496464       1.16393139 
Hf       3.52774995       3.53620997       0.22020398      -0.12392237       0.62528543      -3.21525865 
Hf       7.07205001       0.13836498      10.65189999       0.68680752      -7.21411512      -4.09236146 
Hf       9.16362997       1.85195004       2.28300005       0.42573139      -3.39597944       4.46940925 
Hf       5.57587005       5.35008001       7.76096002      -0.62950557       0.59046028       0.39608103 
Hf       3.62240999       3.50854001       4.99523997       0.46850813       2.90124127       2.05139329 
Hf      10.89870000      10.90100003       4.97008005       3.39992752      -2.24678038       0.63408495 
Hf       9.01818999       1.77526003       7.82161001       2.93955220      -1.13983363       0.76234403 
Hf       5.45043996       9.21455998       2.46424005       0.31423338      -0.92532034       2.15737686 
Hf       3.48457997       7.36647002      10.45219996       2.40258656      -1.88074326      -0.91999975 
Hf       5.29507996       5.52543999       2.73772998       2.76625019      -0.90883778      -0.61056720 
Hf       9.10100003       5.00698004       7.72068003       0.48085244       1.57099458       0.24968781 
Hf      10.72340003       7.41354995       4.93772005       2.90102517       2.52224784       2.17303837 
Hf       5.38765005       9.23908998       8.17085995       0.47497545      -0.68897494      -0.72103636 
Hf       7.27484996       3.48948003       4.93181996      -0.46772457       1.16033192       0.63099507 
Hf       7.08200999       7.47817000       5.01002999      -0.24268116      -4.21307023       1.90671864 
Hf      10.69779999      10.22399995      10.12609997      -1.78206570       5.70251912       3.44588458 
Hf       0.15415003       3.36469995       5.44394996      -2.08909190       1.05196706       0.22286993 
Hf       0.11642696       2.95659999      10.65460005      -0.83213548      -0.45048426      -2.95433252 
Hf       1.66930995       5.29688004       8.26020998       2.30607128      -0.00426383      -0.50867559 
Hf       8.90966001       8.82190004       7.62894002       2.84336048      -4.15787462       1.10843787 
Hf       1.63180002       1.48114995       7.73801001      -0.77149941       1.37659256       1.33105155 
Hf       6.98510002       7.24206999       0.03543955       4.00478499      -1.97906410      -1.13106639 
Hf       8.82860997       8.84484003       2.54613002      -0.33459526       2.89948639      -2.76156374 
Hf       1.60817996       5.51357997       2.40906003       0.12373730       1.95637353       0.24754039 
O       7.20115005       5.07399005       9.23008998       0.55716233      -0.67143818       0.27913243 
O      10.62689995       5.48710005       4.68077002       1.10468286      -3.58246477      -2.36562777 
O       7.05165005       9.23079004       1.20909002      -0.94785379      -0.64879788       0.30147056 
O       5.49943997       7.06383000       6.30310004      -0.32136224      -0.55488930       0.63745931 
O       8.72406999       7.05213997       3.57053999      -0.91599646       6.99340947       0.08806308 
O       5.19567004       6.93401004       9.09385002       1.21493130       0.95324695      -1.65630617 
O       7.14488995       1.40444001       1.25990000       2.20281354       5.25532340       3.89670315 
O       7.55116000       1.98412001       9.28974001       0.01154586       0.78037016       1.65962528 
O       8.87688004       7.23933002       0.91098298      -0.14043981       0.14380389      -1.07800371 
O       3.63411003       9.27333005       6.76816995      -0.73998654      -1.85971482       2.89707854 
O       7.16817004       1.50298997       4.08829004      -0.83645786       1.93550768      -1.65885838 
O       7.08454000       9.01053994       3.95792998       1.43622105       3.95220417       0.00377832 
O       8.82547002      10.26189995       0.29964799       1.46600870       2.52052689      -1.39411717 
O       3.95916005       9.26801999       9.84147998       1.48317872       0.15930065      -1.35220783 
O       7.66103998       8.40123996       9.28411004      -1.26567588       1.13465381      -1.46692624 
O       9.26839003      10.50630000       8.34297996       0.66555227       3.83974195       0.74211719 
O       8.93486998      10.83950000       3.01444003      -0.25807777       1.15496020      -1.51247511 
O       5.48222003      10.70000005       6.66951002       0.43190150       1.00426179      -2.13025369 
O       1.85361998       3.24758004       6.27103996       2.03955112      -1.21389948      -0.47271205 
O       7.31421005       1.39478005       6.74631998      -0.18220216       3.32270509       2.30339662 
O       9.31452996       3.27816997       6.39242005      -2.78964844      -0.25323983      -0.14668786 
O       3.74884999       8.92517005       2.01805003      -6.17906212      -0.51603116      -2.22392486 
O       7.24361002       5.19027003       3.93813002      -0.55781376       0.70657150       0.94525363 
O       8.93695002       3.44966997       3.61264996       0.26326783      -0.79732491      -0.11337680 
O       9.25901004       3.27745005       0.90427198      -2.51767057       0.23889296      -1.01195765 
O       7.24308001       5.30965000       1.50879002      -0.92886606      -1.74585308      -2.17036754 
O      10.06319999       3.58927001       9.04503995      -3.63716838       0.00738804      -1.46823846 
O       5.33432996       7.27379997       0.85609402      -3.25091642      -0.43521010       1.80598772 
O       3.53441000       5.36072996       1.82011996      -1.16085073      -1.92231088      -2.07446187 
O       4.09844003       8.84111999       4.51209999       0.07885914       1.53638927      -0.47301167 
O       1.59868999       7.34466005       3.57044995      -1.12342716      -1.51531897      -0.94710004 
O      10.49940005       9.14460004       3.86360996       0.29658781      -1.15407665      -1.04184579 
O       0.01776844       4.85304997       7.11303000       0.88384211       0.47528283      -0.33158137 
O       8.99340995       6.85244001       5.77204004      -1.77617829       2.02910874       2.53203541 
O       9.12992002      10.91720004       5.54475999      -2.54028614      -0.36472762       2.33440394 
O       4.88094001       3.61964998       9.03562003       2.03599756       2.07391827      -0.95893172 
O       7.29744998       4.90847995       6.44240001       0.48745842       0.57665294       2.74189611 
O       2.50305998       7.41553004       8.67703999      -1.77285902       0.84627640      -0.23788091 
O       1.86608003       7.26167000       0.90111499      -2.79432129       1.44620986       0.96213179 
O       3.48507001       1.73902998       3.94784004      -0.83328375       1.16228516       1.01202067 
O      10.74859997       1.65798995       4.20281002       1.36437955       2.38963050      -1.78726512 
O       1.61417999      11.00463259       6.46859001      -0.74687876      -3.40495198      -4.56306466 
O       1.96115997      10.61629998       8.65028998       1.09603557       2.00792503       4.40085986 
O      11.00696421       1.18121004       9.42506002      -0.13751329       0.50158576       0.44305818 
O      10.99529994       1.58524998       6.69347996      -2.29526201       0.76994419       0.55621772 
O       1.37047001      10.64960005       0.84175495       1.01120032      -1.71314357      -2.47337623 
O       1.73906003      10.74680001       3.48953004      -1.00710341       0.30410402       0.16939071 
O      10.92419996       1.49354999       1.57755001       0.84736410       1.03739280      -0.24115518 
O       1.48441001       3.71213001       3.53930001       0.71364158       0.68114488       1.51403579 
O       5.68735005       7.27286998       3.31972995       1.53662821       0.68591322       0.88665684 
O      10.51109998       8.88393997       1.39424002       3.12971917      -0.58147846      -2.04508801 
O       1.71876004       3.30049001       1.08050002       0.26655772       2.12549176       1.74321977 
O       3.27686004       5.21498005       6.80714995       1.62605521       0.24610900       0.67345450 
O       5.42080995       3.50768005       6.36269997      -1.71696285      -1.30170043      -0.18967143 
O       1.59838997       3.34387005       9.19453999       1.63048224      -1.37432882      -1.10455206 
O       3.20892995       5.33550997       9.72035004       1.55050629      -1.02813004       2.19739032 
O       9.67413998       6.91829005       8.24716000      -0.32796794      -1.68691195       1.59947076 
O       5.49864001       3.24105000       1.32282003      -1.65575458       0.46246031      -1.62507946 
O       5.32522995       3.49358001       3.84376995       0.42018364      -0.47905133      -0.70271668 
O       3.96592998       5.77817004       4.23560004      -1.60207339      -2.19141268       1.58418528 
O       0.01376854       8.71612996       9.13470998       1.57405104      -2.87204618      -0.88921309 
O       5.98162000       0.04019903       8.97837995      -1.12762923      -1.45380474      -0.12657638 
O       4.05397004       1.69862001       9.62912005      -0.64347421       0.26033028      -1.11140220 
O       3.15205001       1.48902998       1.22212995       0.27869650       1.09678698       1.58281456 
O       4.98329997      10.96809999       1.08798005       3.10285915       0.90989657       0.19802490 
O       5.15366003       0.00606851       3.85055005       2.65515186      -0.27890870      -1.84974381 
O       3.47571997       1.28318004       6.91319998       3.36093892       2.10237526       0.09337058 
O      10.94130387       8.93334999       6.21069000      -1.01766689       1.78787251       2.85323633 
O       1.64389003       7.31644996       6.34054997      -0.13459659      -0.52811709      -1.14842326 
O      10.66229999       5.67667996       1.60260995       1.63718634      -0.44684490       1.97472089 
O       0.91911905       5.48317996      10.20330001      -2.84759230       0.18078523      -1.19184194 
O       7.22947002       9.01634004       6.83769001      -2.34903232       0.12400752      -2.68455619 
108
Lattice="11.01466882 0.0 0.0 0.0 11.01466882 0.0 0.0 0.0 10.68591775" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0064459497448185465 -0.0002068156691954146 0.00641923333949575 -0.0002068156691954146 -0.0030057038889978543 -0.005452360786314627 0.00641923333949575 -0.005452360786314627 0.0023850343716112724" pbc="T T T" energy=-1061.58767547 free_energy=-1061.58767547 config_type=crystal 
Hf       1.39823995       1.78416002       2.81609004       1.04849484      -2.03806708       0.97261090 
Hf       0.06952646       7.34939998      10.44260004      -0.66624690      -1.51815635      -0.39819233 
Hf       1.99466003       9.20499001       8.13619996      -0.79416358      -0.71989828      -2.28284514 
Hf       7.15856004       3.90770005      10.59669995      -0.43272806      -3.69898836      -0.43852861 
Hf       9.10918002       5.11593003       2.41031999       0.01422308       4.39852185       0.24935017 
Hf       3.58482002       7.08879996       4.95248999       0.50374739       3.41725626       4.18219291 
Hf       3.48690996      10.86300002       0.00008228       0.15641681      -0.06586775      -0.51083359 
Hf       7.21312000      10.80040003       5.42541997      -1.70851046      -1.04193370      -0.71699695 
Hf       5.21148999       2.01811004       2.78386003      -1.97222544      -3.27402133      -4.12465929 
Hf       5.08425999       1.39721999       7.79386996      -2.07059515       2.19154205       0.38272346 
Hf       2.00823000       9.03645996       2.55118998       1.15441115       0.52369713      -1.52621138 
Hf       3.33895003      10.82755383       5.13995005      -1.52951461       0.75477676      -0.10456383 
Hf       3.63029000       3.26882998       0.01678223       1.17876530       0.32368303      -1.61923210 
Hf       7.19266003      10.99400001      10.35150003      -2.19057222      -4.31794282       3.92441489 
Hf       8.71075004       1.51677001       2.42489002       0.34840824      -1.16698436      -1.29454235 
Hf       5.41122999       5.03563001       8.12456001      -4.21788645       0.70963281       1.25387562 
Hf       3.49039005       3.47341997       5.41116004      -1.00637212       0.37277708       1.30519417 
Hf      10.65869995      10.58709997       5.30698003       2.66096619       2.42451783       0.32690326 
Hf       8.94656000       1.79772998       7.80603000      -0.22235269      -1.62476460      -2.77697991 
Hf       5.65553997       9.32157995       2.73886003      -3.83990626      -0.35633295      -2.23184754 
Hf       3.55445995       7.14189000      10.30039997       0.55313980       6.38705470      -0.51390921 
Hf       5.51560004       5.54919004       2.19658005      -1.12640560      -1.40054918       0.77858394 
Hf       8.76164001       5.27812003       7.77935998       1.58324276       2.69413666      -1.94737713 
Hf      10.94279998       7.09143996       5.38122996      -4.18713771       0.80955861      -1.25337467 
Hf       5.41885005       8.84618002       7.52073000      -3.86911834      -1.44041909       2.91006354 
Hf       7.33290000       3.20145997       4.94381997      -0.45593075       5.65819683       0.47991817 
Hf       7.05963995       7.02910002       4.97057997       3.38205456      -0.92419441      -1.65284193 
Hf      10.69636285       0.11701698      10.63803629       2.52367191      -1.59537140      -0.61664940 
Hf      10.64860005       3.76779999       4.98422001       2.95165202      -3.24717431       3.24797048 
Hf       0.02678635       3.62531996      10.59376977       2.24474561       2.94869456       0.73158227 
Hf       1.68957001       5.38711998       7.69489005      -0.85892646      -0.24243764       0.38251792 
Hf       9.21794998       8.99285003       8.08167005       0.01923950      -0.95962343      -0.43787552 
Hf       1.34734998       1.97258003       7.88916997       4.54621726      -0.50715432      -0.19108865 
Hf       7.42890000       7.47152005       0.12099601      -0.42709387      -2.82632810       0.85635765 
Hf       9.36007997       9.03169997       2.48565998      -1.24785810      -1.89760246       1.40079544 
Hf       1.87969002       5.35247004       2.41720001      -0.80016522      -0.00367565       1.17586447 
O       6.93196000       5.57701001       9.57830998       1.41891610      -0.27026807      -0.83038417 
O      10.56260005       5.45247001       4.14248001      -0.22996129       1.75093000      -1.21491414 
O       7.28928004       8.81483998       1.76797002       2.13954170      -0.62579372      -1.33467419 
O       5.55815995       7.18489997       6.25402996      -0.20641557       1.30501508      -0.32129159 
O       8.71551003       7.02700998       3.08033002       0.91528409       1.74007384       0.38623128 
O       5.17127995       7.24248004       8.98645001       1.79342192       0.52622256      -3.09435511 
O       7.13085000       1.53575005       1.18527003       0.57912230       0.40510050      -0.09318499 
O       7.68532997       1.30196998       9.22993998       0.40306012       4.37651883      -1.73760332 
O       9.33816000       6.78432004       0.76793001      -0.97090900       1.29914837      -0.84836637 
O       3.33056996       8.66576999       6.62514996       2.22177961       0.80433840      -0.04484535 
O       7.01745002       1.84572001       3.70498999       1.74458345      -4.98328894      -1.00216901 
O       7.33032004       8.97676002       4.28044995      -1.82696424       1.95965091       0.50603754 
O       9.03036995      10.64819999       1.03901999      -0.36818692       0.17825140      -1.25665873 
O       3.77626003       9.12779999       9.24287005      -1.36437998       1.08572416       0.53473982 
O       7.73149003       8.97473002       9.70341996       0.07282604       2.04833997      -0.46890137 
O       9.63122003      10.85540001       8.65420004       0.33933187       1.10125388       1.18058115 
O       9.20335995       0.00233114       3.63472997      -0.98373041      -1.58344944       0.65471198 
O       5.20406996      10.87259997       6.10219002       0.67041328      -0.25115932       1.16519905 
O       1.61924003       3.79578000       6.34347996       0.26654905      -1.21651347      -1.12456005 
O       7.23782997       1.86105001       6.32681998      -1.74312385      -2.67881546       2.59163547 
O       9.01026003       3.43490002       6.04110995      -1.99857050       0.48911421      -0.75821742 
O       3.77109998       9.18199998       1.46231997      -2.85530561      -0.23993563       0.33365891 
O       7.28890995       5.27350995       3.85595005      -0.60957854      -1.35156022       1.29046280 
O       9.03035002       3.27461996       3.36520003       0.67771612       0.34485507       0.98839363 
O       9.20883997       3.54927997       0.43989799      -3.31622476       0.17612957       2.28457994 
O       7.28598005       5.28614995       1.33526003       0.58959838       0.12995693       0.15633332 
O       8.88804006       3.57526005       8.57029998      -0.52826590       0.66716081       2.26213092 
O       5.37780003       7.12512997       0.91051296       0.74224052      -0.51539722       0.94192817 
O       3.47534005       4.36973005       1.84818002      -0.18326691       3.01980739       1.46170930 
O       3.70154995       9.03225996       4.01543000       0.44633581       0.20383920       0.63169580 
O       2.21143004       7.26153002       3.52641997      -2.48648475      -1.93167746      -2.32648476 
O      10.64789995       8.92012997       4.28543002       0.06680381      -1.27397267      -1.76938632 
O      10.59879998       5.05207997       6.64323000       0.09650118       2.68675643       2.06303736 
O       8.95735999       7.13460997       5.86879002      -3.01052576      -1.20633834       1.33474295 
O       8.86651001       0.03423117       6.24555005       3.59867618      -0.00455488       0.79743341 
O       5.52377997       3.19424999       9.32239005       1.82506371       1.92201759      -0.71401483 
O       6.88505998       5.03834997       6.94739995       3.02907920       0.14341275      -1.68194238 
O       1.84395998       7.19515000       8.82285000       0.47424193      -0.21832524       0.78707016 
O       1.84527998       7.12951998       0.79441602       0.48924715      -1.26511518       1.47700256 
O       3.22333004       1.93214000       4.21955999       0.34489377      -1.86443995      -3.50372878 
O       0.31120504       1.45376005       4.76935997      -0.57022444       0.91547309      -2.49021499 
O       1.66189004      10.60000002       6.37226996      -1.92979107      -0.66672106      -0.26844411 
O       1.92342002      10.92547941       8.99109999      -0.51034843       2.42374019       0.35436368 
O       0.00235494       1.90112005       9.69842995      -0.13844538      -1.51965576      -1.67816761 
O      10.72770002       2.15685996       6.96298996       0.52307550      -1.06450502       1.36912608 
O       1.49017003      10.93910004       0.82513601       1.58978897      -0.64575674       0.44493058 
O       1.68340003      10.70100002       3.64783999       0.68312297       0.12356551      -0.64443245 
O      10.68819998       1.30408998       1.89063004      -0.04581400       1.53738227      -1.08172245 
O       1.31804005       3.62285003       3.53014999      -0.04547483       0.74745256      -0.28245987 
O       5.33809997       6.98873004       3.55733005       0.27128559       1.85819160       0.69116265 
O       0.07632207       8.79505995       1.45224005      -0.75771488       0.22909317       0.87294951 
O       1.80916001       3.08924000       0.73400896      -2.96602549      -0.17866701       1.53384439 
O       3.52251995       5.48541004       7.14534995       2.03607015       0.27393815       0.79651365 
O       4.80771999       3.31677001       6.83283997       2.37303156       0.21599520       0.76292715 
O       2.25082004       3.70768997       8.87626997      -1.49856801      -1.05278746      -0.06119695 
O       4.07139004       5.46535002      10.20249997       0.43865701      -7.26434141      -0.85627462 
O       9.27355005       7.09458002       8.96769997      -0.56150402      -0.53820340      -1.64881782 
O       5.43995999       3.50723004       1.23000000       2.35052594       0.67408854      -0.72648221 
O       5.41347005       3.41189996       3.93783998      -1.04118352       3.57153902       3.18999756 
O       3.67098997       5.28058996       4.57949002      -0.71923623      -2.25459985      -2.22629164 
O       0.13693117       9.03451995       9.33817999      -0.94687840       0.35911127       1.65754848 
O       5.78960997      10.80259999       8.75680003      -0.54987413      -0.41389888      -0.26685399 
O       3.78830996       1.61080004       9.39816998      -0.03287850      -1.71666758      -1.00179086 
O       3.73031002       1.52373999       1.13659995       0.36562133      -0.03224158       2.42815070 
O       5.55590998      10.48070004       0.82863703       0.28211334       0.59016120      -0.61110446 
O       4.90941997       0.04653114       3.49907000       1.94632161       0.51113714       0.00637847 
O       3.16408004       1.60443995       6.48198004       0.29421227      -1.56516237       3.03608490 
O      10.75284783       8.55714002       6.87396002       0.58773864       1.59986691      -0.39090426 
O       1.63780999       6.79951995       5.99832995       2.50050488      -1.07175935       1.11762266 
O       0.00916564       5.11614999       1.76200002       1.11992957      -0.95449771      -1.63628396 
O       0.14137999       5.34399998       9.66340002       0.36860989       0.08819790      -0.89853382 
O       7.25216997       9.41155999       7.08287003       1.07433239      -0.40903979      -1.11762676 
108
Lattice="11.01993691 0.0 0.0 0.0 11.01993691 0.0 0.0 0.0 10.69102861" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.007883895930083467 -0.004510880327532989 -0.006573709585614246 -0.004510880327532989 0.003960189068813056 0.004574561777302899 -0.006573709585614246 0.004574561777302899 0.03796046661798849" pbc="T T T" energy=-1057.69582139 free_energy=-1057.69582139 config_type=crystal 
Hf       1.92156998       2.00328998       2.83133002      -1.03877083      -2.11036680      -0.64226734 
Hf      10.79030005       7.48040998      10.31030002      -0.71544053      -0.41254124       1.66973865 
Hf       1.79424001       8.82686995       7.66981000      -0.62603158      -0.09446313       1.30497189 
Hf       7.06767996       3.77060002      10.50990003       1.05286380      -0.08297047      -1.00965165 
Hf       8.89236001       4.87086997       2.72513999       0.99429008       2.06243304      -2.73995703 
Hf       3.61393001       6.98133996       5.11015003      -2.38316682      -1.15762677       0.80525802 
Hf       3.47098005      10.88580003      10.61632708       0.28683641       0.94612840      -1.81875711 
Hf       7.06481995      10.88020003       5.43521000      -1.20439310      -0.87140242      -0.56119357 
Hf       5.31353995       1.48772002       2.46315002      -1.43227574       2.79081864       0.97211081 
Hf       5.38571999       1.90827002       7.94773002       0.47374127      -0.36700668      -0.17364179 
Hf       1.63895995       9.45773005       2.42905002      -1.55152903      -1.29935917      -0.59309318 
Hf       3.64101999      10.52059999       4.97062997      -0.99752732       0.79002101       1.05190161 
Hf       3.39120001       3.51975000      10.42910001       3.32706431      -0.46895205       2.19119284 
Hf       7.08845000      10.73570001      10.61080003       0.98108575       1.57500169      -1.96662271 
Hf       8.56779003       1.45597996       2.35969005       3.81125236       1.86065778       0.02990323 
Hf       5.45024998       5.35730001       7.59064998       1.56576238       0.86543421       0.25901896 
Hf       3.38389004       3.63415997       5.53805000       3.04529351      -0.35648215      -0.57410664 
Hf      10.80999995      10.78720003       4.94575002       1.28552223       1.55969161       2.49172562 
Hf       9.03358998       1.30729996       7.87172001       0.52753792       3.04992330       1.14416337 
Hf       4.99937995       8.80226001       2.30555998       0.90295834       1.48426967      -0.47873300 
Hf       3.64507004       7.10514003      10.64999997      -1.22108344      -2.03558379      -4.24216603 
Hf       5.48567996       5.44882004       2.88912999       3.07781442      -3.12859569      -1.65646279 
Hf       8.78607999       5.46218998       8.09392000       3.58454159      -0.56740753       0.35725082 
Hf       0.06403355       7.35795997       5.12672005      -1.07471670      -5.38797874       2.31398832 
Hf       5.20710004       9.23785002       7.89437003      -0.80839751      -0.91715652      -0.03249718 
Hf       7.52461999       3.36032997       5.23236003      -1.36496630      -0.03805752      -0.15991063 
Hf       7.32346999       7.36245004       5.25949001       1.46362187      -1.80826377      -0.14425692 
Hf       0.24530699       0.15808805      10.54989998      -3.15869404      -1.40325465       0.31860763 
Hf      11.00129999       3.70701002       5.49641005      -1.29890766       1.91957825      -2.32651512 
Hf       0.19974198       3.42515001      10.59279997      -9.11137527       2.10837130      -1.17636422 
Hf       1.61475003       5.33831002       8.09257004      -1.68398687       5.02499603      -1.20741690 
Hf       8.83246004       9.05387999       7.70001996       1.04982628      -2.81641460      -2.73827539 
Hf       1.78672001       1.62939002       7.70433004       0.31650678      -1.69396072       1.27505980 
Hf       7.17708997       7.46207005      10.50500001       1.90548089      -2.03598980      -1.78245811 
Hf       9.09133996       8.90032004       2.66221003       0.25522041      -0.67987990      -3.61465987 
Hf       1.74198997       5.35007997       2.14831003      -2.61205910       1.40090924       2.94467047 
O       7.18897001       5.56809994       9.35506003      -1.48183603       1.15768845       0.37579967 
O      10.91850004       5.46292996       4.32083000      -2.10218126      -2.73440019      -0.61953211 
O       7.28814999       8.84977004       1.34927003      -0.98932563       2.20935630       1.24965730 
O       5.56437994       6.92929996       6.28753002       1.70711320      -1.91167947      -2.55564439 
O       9.31883002       7.19390000       3.52037002       0.37130046      -0.68812827      -0.33543761 
O       5.27426005       7.12562995       8.55720995      -1.82377362       0.41111233       2.61925037 
O       6.90939002       1.11102001       1.49460997      -0.98866999      -0.22455425      -0.90695555 
O       7.31347998       1.61231000       9.53486004       0.40312066       1.15095458       0.41293432 
O       8.93990002       7.40752996       0.56233399       3.88817313       0.87306224       1.19555737 
O       3.80589004       8.41362001       6.35508000       1.06431172       5.40100143       1.48969516 
O       7.49937001       1.29009002       4.11015002      -0.87220075      -1.28694567       0.77267707 
O       7.70167004       8.94390003       4.10336004      -1.48418825       2.90054643       0.47823498 
O       8.86046996       0.08627872       0.93549505       1.43117586      -1.06239529      -1.47941568 
O       3.50536005       9.30270995       9.26708997       1.27830003      -0.21866505      -1.23549815 
O       6.76577005       9.02833005       9.07665004       2.00308502      -0.30454059       3.49072572 
O       8.82389997      10.54430001       8.81907996       0.11406584       2.84676917       2.28024381 
O       9.77924001      10.83920003       3.29832997      -1.49323216       0.26448242       0.57774926 
O       5.09304005      10.87480004       6.52296999       1.71378389      -0.36642860      -2.66211786 
O       1.59780005       3.65596005       6.72868003       1.30992339      -1.46791174      -1.79180000 
O       7.23739999       1.95464004       6.79211001       0.30675524      -2.57232516      -0.00712732 
O       9.68468003       2.89124002       6.53464000      -3.05565648       0.17326276       0.50935492 
O       3.21799999       8.69149003       0.99214702       0.22687732       1.77173931       2.86521701 
O       7.22019004       5.55763001       4.24502002      -0.06790163      -0.30128327      -1.59935983 
O       9.16662001       3.11738003       3.83873003      -0.04636477       2.04168381      -0.46091863 
O       8.59203995       3.38932001       1.01734000       0.37048442      -1.78662978       3.19280076 
O       7.30054004       5.69501997       1.41645000      -1.02856820      -1.63617274       1.08103173 
O       8.84448003       3.85696998       9.21622003       0.07353970      -0.47353585      -1.04832243 
O       5.47647997       7.32266995       0.81515095      -3.62135853      -0.06849783       1.42119771 
O       3.58615999       5.14887003       1.34785999       0.52652207       2.40456621       0.89911426 
O       3.09717002       8.96093002       3.62034001       4.13970933      -0.86979504       1.91453929 
O       1.88063995       6.50136000       4.05974000       1.20723229       1.34868949      -0.96267972 
O       0.27973801       8.91500003       4.02573002       0.22633595       2.05973160      -0.41846425 
O      10.68440000       5.48805002       6.77833996       1.39501759      -1.16836692       1.31335082 
O       9.08793997       7.35383995       6.20945996      -1.22254713      -0.00726067      -0.63143218 
O       8.90373997      10.84019998       6.26040004       0.39370012       0.19008168      -0.96532381 
O       5.48691001       3.69121999       8.89351999      -0.31798579      -0.19487331       0.15540900 
O       7.61043995       4.86783001       6.55425996      -0.21933550       1.08915145       2.06195769 
O       1.95718003       7.24592005       9.00073005      -0.38543426      -0.57260880       1.86232921 
O       1.25149004       6.99053996       1.24554001       1.01878170       0.82312983      -1.51402788 
O       3.92226002       1.60398995       4.00737000      -1.59690996       0.99813146       0.52251209 
O       0.20550805       1.64792004       4.61803995       1.70643015       2.08138630      -1.19174284 
O       2.20544003      10.43600004       6.57556996       0.50304325       2.11111869      -1.09956171 
O       1.89390002       0.27525499       9.34102004      -1.68386945       1.23694559      -0.96757009 
O      10.45550004       1.87549001       9.52750996       0.95765512      -1.86788534      -0.04521293 
O       0.05458527       1.05053995       7.07203000       0.45219840      -1.18297525       0.44971142 
O       1.78391995      10.90949995       1.08958003       2.36860798       0.96650238       0.51603299 
O       1.87354003       0.02956307       3.88721000      -0.48411899       0.28335102      -1.30768517 
O       0.21563295       1.90216002       1.36447000      -0.90869646      -2.02479755       0.82235898 
O       2.05202995       3.79673005       3.61681999      -0.24361442      -1.99811987       1.54944756 
O       5.02490004       7.26870002       3.68419998       2.36240677       1.57212391      -2.10330605 
O       0.00530676       9.35540001       1.42379003      -2.98067022      -0.89908919      -0.50369950 
O       1.66112005       3.47552997       1.02390996       5.84004674       1.72206397       1.83586445 
O       3.58003996       5.26760996       6.81036997      -1.21294177      -0.74164470      -0.38580413 
O       5.50244999       3.51887997       6.17844999      -2.20794250       0.38748775      -0.63637729 
O       1.51971002       3.71148996       9.08957004       0.85232771      -4.15880792       1.64659174 
O       3.36118005       5.27425002       9.60116003      -0.00659204       0.75063236      -1.15682730 
O       8.99253002       7.55409005       8.91540998       0.19553483      -1.52205132      -0.22860267 
O       5.28997999       3.28306005       0.93331001       0.99285567       0.90227535      -0.71411348 
O       6.45336002       3.44133995       3.36548000      -1.56279194      -0.21990119      -0.37393357 
O       4.03671000       5.19050004       4.17378003       0.63505914      -2.96783532       1.11401406 
O       0.19913202       9.35580004       9.57946996       0.17788211      -0.80785669      -0.61991599 
O       5.65709001       0.13391405       8.82619997      -1.29133039      -1.75389813       1.32408775 
O       3.69225995       1.82632004       9.41245995       0.14697068       0.00583843      -0.71901120 
O       3.71952999       1.59569998       1.25368005      -2.18605015      -0.77930985       1.48771392 
O       5.19352997      10.37400000       0.96762597       0.00458752       0.61589880      -0.54292823 
O       5.39072998      10.57810003       3.66018002      -0.26661802      -1.33758347       0.17821435 
O       3.60555001       1.80595002       6.72436000      -1.66329284       1.65759016      -0.12361952 
O      10.85719999       8.89257997       6.92012000       0.64415423       0.66173585      -1.07716104 
O       1.93889002       7.20099001       6.57481004      -2.81045816      -1.23729188      -1.90831403 
O      10.46419995       5.17065005       1.35895995       1.32635122      -2.02682126       1.22911597 
O      10.79939998       5.63453000       9.40958000       1.49099641       0.09699159      -0.23731917 
O       7.08286995       8.91662999       6.57556996      -1.14385836       2.57126427       0.75171572 
108
Lattice="11.0255331 0.0 0.0 0.0 11.0255331 0.0 0.0 0.0 10.69645777" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.004214690086183038 -0.002659828713436186 0.017293619592429896 -0.002659828713436186 -0.018317163569236378 0.012613705410274328 0.017293619592429896 0.012613705410274328 -0.0022818482010894163" pbc="T T T" energy=-1054.68316592 free_energy=-1054.68316592 config_type=crystal 
Hf       1.84294002       1.73825997       2.41228997      -1.35011129       0.03678131       2.13824389 
Hf      10.86640004       6.83974999       0.00544225      -0.81802413       4.13068691       0.23931519 
Hf       1.75635000       8.91917997       7.52910003       0.61367016       1.60264983       4.08358359 
Hf       7.25040005       3.77054996       0.03594224      -0.20058114       0.62497736      -0.08292748 
Hf       9.21764998       5.19143996       2.61108000      -2.98066421       0.64639261       3.02960871 
Hf       3.24153000       7.22087996       5.04731999       4.77123038      -2.56928279       0.73097370 
Hf       3.64454002       0.02217102      10.33949997       4.52180052       2.19572997      -1.03968674 
Hf       7.28214995      10.78750000       5.61991003      -0.55426956       5.62526499      -6.17618532 
Hf       5.57516004       1.63763996       2.72466997      -3.02904793      -1.23484126       1.00149909 
Hf       5.19657995       1.83783002       7.84140002      -0.08716877       4.39966485      -2.85242619 
Hf       1.87841004       8.90981004       2.59164005       1.12600323       1.18905698      -1.76491938 
Hf       3.47629998      10.89890000       5.20794998       1.02903183       1.09033374      -3.59230579 
Hf       3.35477997       3.35135004       0.00968404       1.91984395       2.64615680      -1.86652897 
Hf       7.33615003       0.16351902       0.19053996      -3.08229664      -3.55658648       0.22107226 
Hf       9.38971996       1.81180998       2.26967004      -0.89066710      -2.22556594       2.13862044 
Hf       5.26926004       5.41390997       7.57531996      -0.52648534       0.85499889       0.30145415 
Hf       3.13674002       3.46332998       5.09601005       3.39927035       1.03150275      -1.72353941 
Hf      10.69359994      10.71870001       5.03721996       0.49798322       5.52825719       0.60623321 
Hf       8.98389996       1.47544004       7.94435995       0.77326274      -2.06725274      -1.44685544 
Hf       5.71322000       8.96660994       2.95471997      -4.13130538       4.17162128      -1.50306912 
Hf       3.73345995       7.37620998      10.57405981      -0.75820407       1.29575298       0.12257646 
Hf       5.42498997       5.24848000       2.42108000       1.65199509       1.55914927       0.75338133 
Hf       8.91276003       5.07960996       8.09309997      -1.48451937      -0.47955381      -3.19733008 
Hf      10.65349997       7.49953002       5.40862002      -2.15827096      -2.57882761      -3.43622943 
Hf       5.45217000       9.35670003       7.66803001      -1.35517934      -0.93969610       8.72829814 
Hf       6.86392005       3.63691002       5.04428005       0.78333702      -2.62419356       1.99784303 
Hf       7.21135996       7.07307000       5.13001997       0.10783730      -1.33565802      -1.00664208 
Hf       0.14316500      10.74850004      10.57145073      -3.46358416      -0.63152288       1.33065950 
Hf      10.69840002       3.45345000       5.34963996      -1.58199022       0.84380661      -2.17840109 
Hf      10.85740000       3.26167001      10.18790003       0.11411705       2.22771627       3.00568867 
Hf       1.56531004       5.43247002       8.07844999       1.35031871      -1.18522584      -0.52890724 
Hf       9.16153001       9.05946996       7.96844997       0.20511698       1.35403862       1.95954865 
Hf       1.79756003       1.43019004       7.78936998      -1.43638889       4.00433502      -2.17065980 
Hf       7.26098004       7.33791996      10.25749996      -1.55243432       1.28694613       0.79315138 
Hf       8.94245995       9.03219004       2.45352995       0.83004030      -0.73194182      -0.39597430 
Hf       1.97603000       5.59334004       2.50021004       0.62804627      -3.35003757      -0.17618215 
O       7.36850997       5.47601999       9.41217997       0.09542075      -1.49363174       1.47290759 
O      10.32759999       5.34273001       4.34178003       0.97328322      -0.14468858       2.66059442 
O       7.09367000       9.65374002       1.88736002       2.24215180      -0.64743095      -2.38579875 
O       4.98151998       6.24333998       5.69392995       1.58146754       1.69686802       1.31174044 
O       8.80508996       7.38724003       3.83097004       1.12761521      -0.94764598       0.68707356 
O       5.72235995       7.36601004       8.46974995      -0.45035673      -2.31210778      -0.90810104 
O       7.26107001       1.59908003       1.91123002       2.85920452       0.24086030      -2.35023468 
O       7.42851996       1.83999003      10.07569997      -0.27950172       1.54292813      -0.88489094 
O       8.54483997       7.23086997       1.33470004       0.21190288       2.92673314      -2.10297078 
O       3.70637000       8.80331000       7.05235003      -2.08246717      -2.28240862      -1.82542321 
O       6.61989005       1.75341997       4.37708005       1.67922930       1.02788216       1.89753705 
O       7.30281003       9.11008995       4.34203000      -0.76771626      -0.72620934       1.58006319 
O       9.04520998      10.89160000       1.08428998       2.19816072       0.32396577      -0.00938489 
O       3.77804997       9.31467004       9.61301998       0.64709009      -5.04490340       0.04982294 
O       6.85538000       9.19704998       9.47186000       1.80572369       0.47963030       1.83975148 
O       9.26242996      10.81590001       9.08819004      -2.75500444       0.22028735       0.17702905 
O       9.08583995       0.22048696       3.76538995       0.42490616      -0.57519926       0.94015638 
O       5.06733997      10.69920003       6.36954004       2.09836949       1.53673419      -2.48711290 
O       1.50821002       3.37181001       5.95788002      -0.98931098      -2.27241705       3.45561593 
O       7.13445003       1.43271003       7.11995999       0.19551844      -0.87972819      -0.16526552 
O       8.86853000       3.18322003       6.19044005       0.18152675      -0.24098830      -0.50805639 
O       3.78428998       8.59300998       1.64704998      -2.32569606       1.23289773       1.86720087 
O       7.21254994       5.31404995       4.14971999       0.42054990       1.49291670      -0.83337083 
O       8.73842000       3.33344005       3.29233002       0.61574974      -0.54689409       3.37169426 
O       9.25462002       3.66472998       1.13114003       2.18735824      -1.73732122      -4.14779436 
O       7.55444004       5.20679003       1.62628997      -5.72852414      -1.65800915      -2.08083382 
O       8.85434003       3.17500005       8.82703998       1.13616801       4.17294733       1.91711501 
O       5.39565003       7.10443996       0.73963599       3.62880659      -0.65185542      -0.78212326 
O       3.86130002       5.19114999       1.33274997      -5.21289695       0.66487919      -1.05617808 
O       3.55860999       9.03491996       4.28662995      -0.19035557      -0.58723699      -1.06622294 
O       1.68401997       7.19672004       3.74684005      -1.35557956       0.83365617      -0.39195885 
O      10.62390005       9.16048997       3.94650002       0.90689609      -3.29350765       0.53084062 
O      10.70899997       4.77957003       7.15634003       1.48127662       1.36431888      -1.85421246 
O       8.82120995       7.47098998       6.58163005       0.57090322      -1.09493767      -1.51833098 
O       9.22609994      10.61979999       6.56642001      -1.24585744       0.37176205      -3.10456750 
O       5.23622005       3.83284003       8.76168003       0.76825659      -1.72900173      -0.45016302 
O       7.23995997       5.11871003       6.75625999      -0.83236901       1.05081612       0.25027431 
O       1.27062995       7.27321000       8.98349001       0.03130108      -1.75893903      -0.27941441 
O       1.72228000       7.14693005       1.22235001       0.63408728       0.53497923      -3.14616208 
O       3.36287999       1.69127003       3.90111003       0.15493687       0.13602504       0.21722122 
O       0.31966692       1.69028005       3.99645997      -2.52545560       0.63434593       1.20194842 
O       1.80927995      10.27759996       5.98300996      -2.42800757       0.88583505      -0.24378069 
O       2.39665001      10.85340005       8.39892004      -1.01705011      -2.02178526       1.24256877 
O      10.82469309       1.56056002       9.54013004       0.55574854      -3.15442663      -1.63124026 
O      10.77809996       1.20932005       6.93922996       2.92219197       1.56603822      -0.39830527 
O       2.00630997      10.81850005       0.51591604      -2.87933708      -1.19113818       1.85148328 
O       1.66049997      10.92102913       3.35265002       0.94490870      -3.12160719      -1.25526292 
O       0.15049004       1.41307995       1.29279004      -0.67012552       1.22331982       0.33105555 
O       1.48864003       3.90005995       3.63115005       1.07598711      -0.34393490      -1.41425804 
O       5.58696001       7.19535000       3.52487005       0.88761111      -2.64602982       0.55935761 
O      10.80796306       8.92178002       1.22122004       0.49155583       0.34316904       0.62918124 
O       1.55426003       3.64442999       0.92999304      -0.59541534       0.73401509      -0.48345929 
O       2.96680998       5.18094001       6.63543002       0.25056391       0.22572313       1.00421740 
O       5.15740998       3.25696001       6.15236002      -0.14349870       1.86394564      -0.19228675 
O       1.41327996       3.30589000       8.92664005       1.26160701       1.95304332      -0.57699470 
O       3.42898004       5.75711000       9.37120997      -1.26255608      -0.87204278      -0.80628137 
O       9.07226002       7.41739002       9.24794998       1.06958941      -0.32218432       0.29219050 
O       5.34652003       3.71284000       0.59342204       2.19878802      -1.14858313       1.11696280 
O       5.14120002       3.63300004       3.54557005       1.56259844      -0.86438997      -0.89223978 
O       3.58620999       5.41865999       3.71138001      -1.23835540       1.55403578       1.67389212 
O       0.06926692       9.35948001       9.28987999       0.90802121      -1.30243252      -2.21208637 
O       5.36911995       0.31894100       8.83131001       0.60298697      -4.67549178       2.12231278 
O       3.57371001       1.93481998       9.16173996      -1.92620343       0.15318111       0.84603049 
O       3.45894998       1.74359997       1.08150997      -0.86999065       1.56971990       1.48387795 
O       5.14741004       0.13684605       1.00856997       2.00689691      -0.08483900      -0.41496801 
O       5.61980000      10.90279995       3.75513997      -2.27661158      -1.88708471       0.33672980 
O       3.53119004       1.45362999       6.42356004      -2.59275635       2.14113910       2.50790293 
O      10.87100000       8.88383002       6.74969001      -0.34735125       0.45404362      -0.09797095 
O       1.71804002       7.40941999       6.20793999      -3.28816926      -1.34555362       0.70780420 
O      10.65899995       6.10416997       1.83383003       4.06438573      -0.53895521      -2.39557228 
O      10.45500002       5.20673998       9.36155000       2.26697641       0.78672851       4.53301678 
O       7.21032995       9.59410005       6.96675997       1.46652956      -4.62946381       2.64312600 
108
Lattice="11.03067458 0.0 0.0 0.0 11.03067458 0.0 0.0 0.0 10.70144579" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.017091576343391368 0.0026685152526225156 0.0019790829418149503 0.0026685152526225156 0.03877525072047288 0.004446270315967402 0.0019790829418149503 0.004446270315967402 0.023640721939312426" pbc="T T T" energy=-1062.44833618 free_energy=-1062.44833618 config_type=crystal 
Hf       1.74009995       1.93607996       2.38295001      -0.59205387       1.24906257       1.66724211 
Hf      10.67370000       7.37192998      10.17229996       4.24548298      -1.50394415       1.80041062 
Hf       1.70966995       9.33576996       7.96795997      -0.31645667      -1.36670352      -1.68561382 
Hf       7.09130995       3.36090998       0.01427605       0.28885461       3.86982869       0.97514665 
Hf       9.31842003       5.30935003       2.15792996      -3.06792460      -0.62533190       1.35151359 
Hf       3.29200996       7.35891996       5.36298996      -0.39532862      -1.64116125      -1.61782618 
Hf       3.60679001      10.90739995      10.64954057       0.17075731       0.47944062      -1.22280413 
Hf       7.06722999      10.55730002       5.50420999       1.66413239       1.68183293      -0.49118800 
Hf       5.14800005       1.49489004       2.50951001       0.14540350       2.79048527      -0.69529118 
Hf       5.77590995       1.42779000       8.08214997       0.47769313       3.04941562      -0.27770933 
Hf       1.47729997       9.36907995       2.22937003      -0.18729918      -2.79232657       1.63547846 
Hf       3.34746999      10.89329999       4.99324998      -2.12553549       2.46216508       0.88906300 
Hf       3.54843995       3.37061996      10.28149998       0.50251581       1.91756308       1.53153121 
Hf       7.16412002      10.81290005       0.14861697      -1.47343031       0.47309609      -2.09058375 
Hf       8.94709994       1.31450001       2.61269004       1.53090068       2.87064579       0.99205516 
Hf       5.39369995       5.26723999       8.24238999       3.48277425      -0.04770075       1.32747653 
Hf       3.87039997       3.56217998       5.36812002      -0.44838312      -0.10515623       0.39374587 
Hf      10.73390002      10.74990001       5.08646000       1.06793598       1.92274559       0.72799467 
Hf       9.34252999       1.55145997       7.70187998      -0.10719337       2.15826319      -0.94008751 
Hf       5.21468004       8.98820002       2.77123998       0.28580564      -2.23657242      -1.29570959 
Hf       3.60471999       7.41604000      10.55390003      -1.22757823      -2.01359842      -1.68233655 
Hf       5.20461995       5.09825998       2.74179003       3.63855147      -0.15765369      -0.71870905 
Hf       9.05087995       5.35544005       7.83708996      -2.09264594      -2.29715922       0.55169925 
Hf      10.70000000       7.40825002       5.17401003      -0.02816924      -2.28493394      -1.55712267 
Hf       5.45471998       9.02062998       7.99959998      -0.25365079      -1.76747142      -1.13441592 
Hf       7.17117005       3.09416996       5.30823997       1.08716077       2.80974884      -0.04793894 
Hf       6.86245997       6.96521997       5.12216998       1.78146203      -1.31448132      -0.43529416 
Hf      10.75259999       0.16319696      10.47600004       0.04214183      -0.77318014      -0.08775447 
Hf      10.97800002       3.67490001       5.09847002      -2.16307191       0.41645739      -0.67441216 
Hf       0.05838966       3.48708998      10.37219997      -1.15208195       0.93233017       0.07808554 
Hf       1.70716996       5.51699002       7.90739996      -1.65898998      -1.77086159      -0.24990725 
Hf       9.16053004       9.08081003       7.98297004      -0.91939474       1.04249886      -0.17715083 
Hf       1.94434998       1.65500998       7.54145995      -2.50530431       0.54923686       0.94814249 
Hf       7.16837003       7.18117002       0.11953804      -4.62323103      -3.50950725      -0.07004530 
Hf       9.17260995       8.94281001       2.07869998      -0.51178438      -2.67631966       2.52309139 
Hf       1.74614001       5.57536997       2.66447005       0.40587763       0.85973931      -1.28732575 
O       7.51608998       5.08539005       9.75133997      -0.22792143       2.32530258      -0.62268737 
O       0.30560098       5.57420999       4.19653997      -1.28197800       0.73345878       1.32139344 
O       7.15165999       8.64973998       1.60640997       0.66373816       2.38719100       1.09640116 
O       5.37382002       7.55945995       6.28380999      -0.79931877      -0.17974235       0.47029552 
O       9.30282001       7.16650000       3.19731997       0.29192279       1.29116643       0.70147081 
O       5.46454997       7.35428995       9.21023998       1.06176988      -0.71949862      -1.73504284 
O       7.01111000       1.67923004       1.43904000       0.06694446      -1.29379877       2.71599864 
O       7.39420003       1.69480005       9.81901998       0.40960885      -3.55733049      -2.16362546 
O       9.03584999       7.21632996       0.57482302       2.85292245       0.17915658       2.03257931 
O       3.20972996       8.95966995       6.59336001      -0.98977667       0.53569347       3.69936272 
O       7.52573002       1.37101004       4.48540998       0.28406089      -1.42248341      -3.56085956 
O       7.18367001       8.99402995       4.31948995      -1.75675769      -0.98510815      -0.34987300 
O       8.96522003      10.77650004       1.06213005      -0.67544267       0.57906307      -1.26041672 
O       3.84988004       9.31368996       9.17855996      -2.75143434      -0.17721790       2.51948313 
O       7.64103995       8.79773998       9.77933003      -0.39402785       4.25928281      -0.74177984 
O       9.21328005      11.02249997       8.93562002      -0.84378727      -1.94544252       0.32499496 
O       9.32674002      10.51770001       3.41156998       0.01816508       0.73561490       0.69265842 
O       5.54708997      10.77390000       6.71911003      -2.41429475       0.60892148       0.49456790 
O       1.57062996       3.60567999       6.47517003       2.29591796      -1.13418116      -1.32878232 
O       7.48713005       1.62493000       6.81504003      -1.80144468      -0.57872261       2.64520470 
O       9.00702000       3.47125004       5.92467001       1.04404016       0.30948494       0.39572011 
O       3.30840000       9.39947001       1.70098004       2.70175590       0.95520004      -0.69333424 
O       6.87484995       5.07761001       4.34072001      -0.73649049       1.35897606       1.66423879 
O       9.11476995       3.89949999       3.45881001       0.32476458      -0.60575476       0.20183734 
O       8.98390997       3.76219004       0.86069802       0.14232537      -0.11833575      -2.04254588 
O       7.01743002       5.64649995       1.66393998       0.68709489       0.21566869      -0.04316034 
O       9.45464996       3.35510995       8.48044001      -0.10858899       1.84389809       1.46839868 
O       5.08280005       7.50008999       0.96486397       1.57870786       1.73137929       1.35051533 
O       3.61395995       5.44883997       1.81955003      -3.42863625       1.07112382      -0.75965931 
O       3.82515004       9.07101998       4.56503997       2.29385160       0.27242586      -4.63905200 
O       2.06426003       7.61349999       3.41502002       0.71552811      -1.49681113       0.69429784 
O       0.15562539       8.95466004       3.91430004      -0.78959977       1.27280378       1.27748220 
O      10.73510004       5.09196996       6.91416003       1.56433099       1.24804336      -0.59137206 
O       8.86403003       7.19086003       6.07645995       0.47974095       0.30197385      -0.27487003 
O       8.94901002      10.81999995       6.16840004       1.75306518      -1.16667551      -0.21938415 
O       5.84540000       3.34347997       8.90836001      -1.58081586       0.98926888       1.36258132 
O       7.11938004       5.43018004       7.19300001       0.08701287       0.86090004      -1.41516332 
O       1.71225996       7.29851003       8.88959995       0.28786533       1.46620581      -1.35130548 
O       1.82697997       7.52718000       0.72704595      -0.97073870       0.36741252       0.63808580 
O       3.38140001       1.84440005       3.69228998      -0.44680374       0.08927898      -0.49515092 
O      10.62640003       1.91373004       3.72210004      -0.06243527      -1.61045475       0.71681238 
O       1.57083005       0.00442540       6.31152995       0.87290061      -2.96616748      -0.43251378 
O       1.77049001      11.00068229       8.91359002       0.98046629       0.37925970       0.37903435 
O      11.01603379       1.62122005       9.22808004       1.10775490       1.87080004       0.49926210 
O      10.93540000       1.45523002       6.49880996      -0.29811014       1.24103769      -0.12797030 
O       1.68307003       0.13497795       0.69787103      -0.90166101       0.26417981       1.67613394 
O       1.58983999       0.32232547       3.81968995      -0.22407608      -2.71539357      -1.74792915 
O      10.37090004       1.78642999       1.11132995       2.14731825      -0.91401279      -0.45386509 
O       1.49358996       3.65996999       3.39903002       0.29159441      -1.38200097       0.39357803 
O       5.33077999       7.02159995       3.35291996       0.72411715       2.87905923       2.44302551 
O      10.96590003       9.17499004       1.01507997      -1.74184586      -0.26230278       1.43148844 
O       1.82173003       3.72695001       0.81341903       0.05853975      -2.97157901      -0.07000792 
O       3.84482005       5.23889998       7.13281005      -3.13877507      -0.05267430      -2.43333043 
O       5.51746003       3.17981002       6.59093003      -1.84212707       0.21796533      -2.03911070 
O       1.94588005       3.53996000       9.03094004      -0.74320145      -0.04863457      -1.33508240 
O       3.91219001       5.49470000       9.67467000      -1.41971326      -0.92206409       0.84312929 
O       9.20286003       7.17414999       8.84279996       1.10418476      -0.10149099      -2.00178907 
O       5.19751995       3.90382004       0.91099899       1.23579037      -2.16721765      -0.22639356 
O       5.31200997       3.17438999       3.91307997       0.57042979       0.03961160      -0.87165073 
O       3.59704000       5.36626004       4.33935001      -0.07034711      -1.22830685       1.79558663 
O      10.80379997       9.25096999       9.43706002       0.33104621      -0.79249148      -1.96404186 
O       5.46806004       0.11268805       9.51218995       1.63377462      -2.60948237      -0.10627541 
O       3.83769997       1.73779001       9.12421994      -1.49629137      -0.52186976      -0.67693177 
O       3.71826005       1.77315998       1.01653997      -0.60045048      -1.37359597       0.99423831 
O       5.29654000      10.59749999       1.16847995       1.35965225       0.61069091       1.03215365 
O       5.16525997       0.13617004       3.84602000       0.74802258      -2.95179139       0.91913957 
O       3.45484004       1.33717996       6.38173004       2.32779577       2.48516416      -0.12118927 
O      10.90940003       9.19699999       6.74296002      -0.28620761      -1.12748252      -0.44586873 
O       1.39477001       6.84653995       6.18291002       1.92476080       0.61096164       0.42427815 
O       0.08729235       5.34778002       1.42433996       0.82735165       0.75105129      -0.06711685 
O       0.26284399       5.37656997       9.58190997      -1.09721930       0.58422136      -0.92885896 
O       7.28010999       9.25639002       7.22307995       1.10174226      -0.47327396       0.06911236 
108
Lattice="11.03655244 0.0 0.0 0.0 11.03655244 0.0 0.0 0.0 10.70714821" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.02106640817361751 0.0022429164758412633 0.007908705785304143 0.0022429164758412633 0.0006737483096345529 -0.011596183753276248 0.007908705785304143 -0.011596183753276248 0.036154224002517665" pbc="T T T" energy=-1054.85807268 free_energy=-1054.85807268 config_type=crystal 
Hf       1.98185006       1.80072997       2.40927998      -0.74174544      -1.10680880      -0.33559657 
Hf      10.72069999       7.24416004      10.62505404       0.60653799       1.36517215      -0.56875080 
Hf       1.67559996       9.09426997       7.85750003      -0.21216220      -5.63522911      -4.75545163 
Hf       7.15643004       3.22530001       0.03584625      -2.18525500       1.70514285      -3.98387545 
Hf       9.21587998       5.20127001       2.70236001       0.24832738       0.57954849       0.16073114 
Hf       3.43855004       6.91543997       5.41688997       0.71972318       3.30129170       0.44340395 
Hf       3.42929005      10.60530004      10.34379996       3.22465238       1.89755964       2.55672008 
Hf       6.93893006      10.76870006       4.86833000       1.44192048       0.93050007       0.62538421 
Hf       5.46847002       1.83014999       2.44353001      -2.38180729       0.57504700      -1.13106480 
Hf       5.07092005       1.58500995       7.51406001       2.47827458       1.61717816       1.42868004 
Hf       1.73661996       9.18454996       2.61810995       0.01865866      -1.35625615       0.29637331 
Hf       3.56776004      10.75420001       4.95459996      -0.77227695      -0.11334594       1.55306399 
Hf       3.60418000       3.64210998      10.30089995      -0.87046290      -0.72683984      -2.28113889 
Hf       7.23538002      11.01199997      10.64860002       1.32511885      -2.45452903      -1.12320184 
Hf       9.26459002       1.81112000       2.61949996       1.83276553      -2.43226394      -2.02176427 
Hf       5.55151997       5.25344995       7.70220002       0.80561833      -0.52651968       0.42977627 
Hf       3.35000996       3.49592003       5.11459002       1.13111029      -2.11532824       0.31729018 
Hf      10.86469996      10.91979995       5.22347005      -0.63737140       0.22905468       1.70040979 
Hf       9.07513998       1.63549997       7.70683001      -0.95649771       2.26771243       0.63785830 
Hf       5.17587005       8.96617996       2.55497001       0.48786319       1.25068814      -0.87872190 
Hf       3.73521004       7.02112003       0.06692846       0.06125196       1.91120857       0.05598137 
Hf       5.78866999       5.83873002       2.63304996      -2.38890460      -3.92378688       2.03278963 
Hf       8.85086995       5.50998004       8.44797002      -2.49447985      -3.48994096      -6.43807700 
Hf      10.81880005       7.08474995       5.16042004       0.47362610       3.34848238       3.42756577 
Hf       5.38743999       8.76403005       7.85626999       0.31518160      -1.17013648      -0.33019585 
Hf       7.17512000       3.40401005       4.92827997      -0.02598647       4.53702995       4.41209118 
Hf       7.43143996       7.15974995       5.28570995       0.27504413      -0.69408206       2.15148060 
Hf      10.99589996      10.80109995      10.57220003      -4.10266004       1.14107397      -0.45587286 
Hf      10.85810000       3.61483005       5.54789000       0.71645165      -0.78924898      -0.56943718 
Hf      10.76349997       3.49860004      10.55420002       0.36449667      -2.41231543       0.42896350 
Hf       1.54442999       5.58048000       7.99063004       0.62357371       0.65118404      -1.95304850 
Hf       8.70453001       9.28789999       7.89553000       2.86608022      -0.79152462      -1.15003417 
Hf       1.82103998       1.63534999       7.80093995      -3.13742035       2.28202418       0.04768000 
Hf       7.47179997       7.32035000      10.63136762      -3.70750667       1.25723570      -0.32342767 
Hf       9.02214996       9.23620997       2.58215000      -0.26121373       0.06690291      -1.38706367 
Hf       2.12990000       5.12714996       2.59734997      -2.36078289       1.15132874      -0.43041908 
O       6.95785002       5.19872002       9.49065000       0.93421352       0.46114742      -0.19238129 
O      10.62300002       5.37102003       4.35110001      -1.10044013      -1.71767184      -1.28220446 
O       7.48327997       9.32717003       0.98503697       1.25742279      -0.89799097       2.47644445 
O       5.52839001       6.93877003       6.46143995       0.17405433       0.23289644      -1.08061231 
O       9.29590006       7.50727002       3.78786996      -1.37058984      -1.84582194      -0.15638394 
O       5.51082004       7.15943000       9.05998997      -1.67021839      -0.28340442       0.93163257 
O       7.33745996       1.93825998       1.59792002      -0.98557505      -2.16957525      -0.08029701 
O       6.64644000       1.53174005       9.64911997      -0.76950618       2.11918453       0.50825240 
O       8.90056998       7.62557998       1.17504003       3.61035723      -2.83179726       1.26288709 
O       3.67082003       8.79219004       6.67982005      -0.75154518       0.96786984      -0.00171755 
O       7.25885002       1.70187005       4.35944002      -2.68837173      -2.67624493      -1.44077287 
O       7.25415000       8.93515003       3.67242999      -2.11331678       0.01426637       0.83822125 
O       9.29919999       0.13014203       1.05311998      -0.05332665      -0.24341893      -0.26786375 
O       3.15612003       8.81387995       9.29581995       0.53260349       0.30096850       1.61750885 
O       7.10201995       9.16857996       9.16631003      -0.64679822      -1.10103331       0.56418306 
O       8.39259996       0.05903165       8.74409002       1.15247250      -0.07868963       1.17987333 
O       8.49183998       0.16314762       3.66173997       2.84583220      -3.73337358      -1.57397954 
O       5.20147000       0.83205099       5.59077995       1.91177425      -2.36303930       0.73760567 
O       1.91116005       3.43265995       6.40689998      -2.60410564       0.38835592       2.27380427 
O       7.26510995       2.06552004       7.05960003      -3.63227819      -1.62861454      -0.44065331 
O       9.04020002       3.17796998       6.12809998       1.13351489       0.51605756      -1.65853128 
O       3.29638998       9.09429006       1.13371001      -0.70680461      -2.12330935       2.51594272 
O       7.42452998       5.42235997       4.02082999       0.91017462       2.46542643       0.99511111 
O       8.89826003       3.41436002       3.55960995      -0.23166529       3.19285930       0.27421315 
O       8.94500005       3.36388997       0.66402200       2.15693600       0.80219582       2.17110162 
O       7.09066003       5.43286004       1.41144005       6.18790122      -1.45830211      -3.30857746 
O       8.85214997       3.53648996       8.82322998       0.63146328      -2.35309792       0.35271501 
O       5.77830004       7.32066001       1.13580004      -3.62279318       1.98041271       0.79171408 
O       4.02223004       5.40354000       1.65822000      -2.32501839       1.15412946      -1.21362525 
O       3.71200999       8.90816997       4.13380004      -0.68280473       0.84288954      -1.38340720 
O       1.85378996       7.12857003       3.53302999      -0.51841927       0.23647805      -0.50360760 
O      10.85750005       9.17475006       4.18437001       1.39107641       1.37338494      -2.03010578 
O      10.73680001       5.40467997       6.76467998       0.94677561      -0.84880258       1.88149231 
O       8.97678995       7.35232002       6.71270995      -0.97276416      -1.26688207      -2.11886401 
O       9.11321995      10.62225947       6.32180995      -1.50307017       1.80111771      -0.79495747 
O       4.85433996       3.52273996       8.63086000       0.03614709       0.10329406      -0.39158251 
O       7.38671996       5.10860006       6.73095996      -1.02567244       1.03074697       0.25737389 
O       1.25148004       7.21283996       9.08033998      -1.94481176       0.83985573      -0.89615919 
O       1.35224001       6.63757997       0.79409897       2.36798880      -0.25203251       1.41970378 
O       3.81605002       2.31223003       3.38520999      -2.49224381       1.52925262       3.72762920 
O      10.99420000       1.75309003       3.92321003      -1.52052088      -3.67974490       2.60777837 
O       1.71207996      10.72719997       5.78278995      -0.25205174      -1.02331122      -0.27925462 
O       1.14911999      10.80969997       8.18694003       0.22331185       2.78373495       3.87548613 
O      10.67793942       1.62021004       9.53213003       0.59396696       0.01955293       0.66446061 
O      10.85469996       1.57798000       6.76184002       2.22228212       0.63149329      -0.55780689 
O       1.62983999       0.16564762       0.73244796       1.14437952      -0.65934803      -0.72183292 
O       2.47971997      10.97557725       3.31508995      -2.41984420      -0.65621476      -0.74087706 
O      11.02014318       2.15259998       1.69723000       0.76221412       0.10754712      -2.81382672 
O       1.43972003       3.45428000       4.03688996       2.72643093       1.62699192      -2.71025455 
O       5.04964997       7.09245998       3.94243000       2.03161570       1.69724038      -0.72226745 
O       0.10104758       9.20628998       1.38736995       0.17794978      -0.73872788       0.90936898 
O       2.37280999       3.24841000       1.09606999      -1.54310335       2.15845137       0.68444809 
O       3.34758005       5.67845997       7.00785998       1.49218971      -1.16252184       0.79385854 
O       5.17301997       3.49482995       6.18457997      -0.22983819       0.47577660      -1.27508953 
O       1.36602996       3.92616998       9.03166004      -0.45852436      -1.89707006       1.19841250 
O       3.27878999       5.60255001       9.65705996       0.28321310      -1.25885049      -0.38774080 
O       8.95301998       7.20494000       9.31787003      -0.80556334       1.65468140       0.02744126 
O       5.09277000       3.01862004       0.54362504       2.75798143       0.18636473       2.17092892 
O       5.85764999       3.83332995       3.19850002      -0.21609413      -1.97107081       0.54501193 
O       3.39947999       5.25247995       4.32782995      -0.41440985      -0.69900888      -1.54731207 
O      10.10960002       9.10423002       9.73125000       2.21335546       1.32558976      -0.30948433 
O       4.83920002      10.60249995       8.38704999      -0.29013847       2.28924533       0.21943886 
O       3.25862003       1.70148995       9.23985004      -0.45214083      -1.06777059       0.24680126 
O       3.73480003       1.04313995       1.44904998       1.15162918      -0.50498085      -1.64573505 
O       5.40868005      10.11389997       0.61038400      -1.57216453       1.89706729      -1.02085883 
O       5.17142000      10.92140003       3.37767997       2.27738880      -1.42284867       0.01197570 
O       3.16809006       1.37194997       6.48532995       2.15336758       0.41365310      -0.04498184 
O      10.83650003       9.04263998       6.77503005       1.32449621      -0.38240579       1.33222093 
O       1.59720005       7.13594002       6.30865997      -0.73934718       0.53565703      -0.81341773 
O      11.01780001       4.72076997       1.95391000      -0.35395507       0.94193454      -1.04775154 
O      10.09550005       5.28000997       9.88142996       3.49160922       1.56481233       2.95203910 
O       7.12941002       8.94622996       6.44011002      -2.30799739       2.00718358      -0.15140646 
108
Lattice="11.04223851 0.0 0.0 0.0 11.04223851 0.0 0.0 0.0 10.71266457" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0080730540578863 -0.0020197780431873845 -0.00545477570109354 -0.0020197780431873845 -0.0026767628139890034 -0.007140743842765229 -0.00545477570109354 -0.007140743842765229 0.005714358829820219" pbc="T T T" energy=-1054.11156283 free_energy=-1054.11156283 config_type=crystal 
Hf       1.62615005       1.65649004       2.28563001       5.29320622      -0.37237551       2.67964586 
Hf      10.78739999       7.23516000       0.03132779      -0.23223691      -1.49363227       0.24964877 
Hf       1.63098004       9.25727998       7.78832000       0.64639181      -4.28603140       4.62964954 
Hf       7.23013998       3.68942003       0.02381875      -3.86415877       4.06352198       1.03661931 
Hf       9.10861004       5.08959995       2.64000999      -0.57307554       4.07898179       0.50289178 
Hf       3.46678995       7.08760997       5.08103994       3.98518515       5.36092745       2.81454067 
Hf       3.61469003      10.75910006      10.59680003       3.31840283      -1.70585189      -0.58052722 
Hf       7.38408005      10.73869996       5.16921996      -1.82441822       2.01831201       0.23033607 
Hf       5.20757003       1.49303995       2.48499998       1.28010736       2.41013911      -0.60191339 
Hf       5.34447005       1.49066996       7.85837997      -0.09375117       2.38211001      -4.03492984 
Hf       1.56913997       9.00174005       2.41220003       2.27183948       0.39421044       1.01821940 
Hf       3.49175005      10.95700005       5.25540999       0.32144331       0.03280996       0.95284181 
Hf       3.61873005       3.21102996      10.15830003       3.07001166      -1.72046118       1.51696483 
Hf       7.36235003       0.26499197      10.33649996      -1.01670284      -1.37470736       0.94690173 
Hf       9.09871995       1.84274003       2.58592999      -0.61808586      -1.28611943       2.70268662 
Hf       5.22957004       5.55281998       8.23243001       2.02544828      -2.46211381      -2.59796944 
Hf       3.63295996       3.21264996       5.07078996      -0.44063831       3.38799865       4.03729304 
Hf      10.77980006      10.74450001       5.09331002       1.14254370      -1.04644132      -1.19269835 
Hf       9.33651003       2.26063001       7.99073998      -0.17265257      -1.11122323      -0.74429152 
Hf       5.37818002       9.02914998       2.50054995      -2.99472667      -1.58519180       2.08962769 
Hf       3.32927003       7.01923002      10.56710003      -1.34608200       0.86955217      -1.90036389 
Hf       5.15507004       5.24669997       2.43031997       1.23761346      -1.70655474       0.27088177 
Hf       8.87895997       5.58014002       7.68568004       0.92968149       0.44214173      -2.55411413 
Hf       0.26802196       7.27298000       5.21252001      -5.24656489      -2.11323078       1.92317091 
Hf       5.42321998       8.98790998       8.00322002      -1.15160396      -1.85616631      -1.88788270 
Hf       7.29426005       3.61966003       5.52873998      -1.62665812      -0.90451353      -1.25243135 
Hf       7.04942006       7.13477004       4.84646998       0.74048397       0.24534816       1.61089603 
Hf      10.87720000      10.81739998      10.59269997       0.27427475      -1.79564149      -1.94119263 
Hf      10.98910006       3.61777004       5.11305999       1.19670669       3.47055029       4.01815297 
Hf      10.99299995       3.55353005      10.50689999      -1.65934676       5.19181975      -1.65337335 
Hf       1.94008995       5.53489003       7.77174001      -2.06285797      -2.61083995       1.67985224 
Hf       8.95892002       8.83814995       8.16952996       3.37467018       1.32479887      -3.22185312 
Hf       1.55992997       1.45026000       8.08741995       1.65749434       4.35482790      -4.98003145 
Hf       6.95763001       7.34398999       0.01759534       1.48005644       0.45573577       0.38574667 
Hf       8.56202001       9.06233003       2.30925004       0.67712380      -1.88975992       0.27784205 
Hf       1.91437003       5.38596005       2.77650005      -4.77606739      -1.63834895       1.05467679 
O       7.01816003       5.73252998       9.81751003       1.40778786      -7.16745540      -1.63853201 
O      10.79189749       5.24174996       3.74307003       1.80312154       0.33242035       2.10865014 
O       6.64119998       9.08843996       1.13426999       4.20348665       1.35854159      -0.48565942 
O       5.18890998       7.06460004       6.30451001      -2.09721304      -0.90557800      -1.47815700 
O       8.68365004       7.06378004       3.27260997      -0.41822959       1.83335074       1.00556739 
O       5.60134995       7.23799002       9.04867002      -0.52474855       2.92316132      -2.13398443 
O       7.49703000       1.66818995       1.56715002      -1.11404489      -0.00814082      -0.66797497 
O       7.75341002       2.19256002       9.77265000       1.84148151      -4.60461331      -1.48123748 
O       8.81623000       7.58761997       1.03923998       0.13010832       0.02245877      -3.12408145 
O       3.57949996       9.20538996       7.16277999      -0.36400954       0.87685265      -1.12098483 
O       7.30102000       1.67495001       4.35302001       1.28035574      -0.90706041       0.28171249 
O       6.93194996       9.11755006       3.92874996       3.37472399      -2.72636518       1.40882601 
O       9.08668998      10.54630000       0.72544001      -2.22320570       0.73493307      -0.47083521 
O       3.90850003       8.89831006       9.70107997      -0.28093098       2.88098377       1.11132900 
O       7.53894998       9.43844999       9.23669004      -1.07668299      -0.45341267       2.79438548 
O       9.80570998      10.87199999       8.60108997      -1.18835093      -0.24286842       0.98287449 
O       9.13995995      10.64720000       3.60412998       0.38144936       1.90607344      -0.23726647 
O       5.44730001       0.14899701       6.23325001       0.52541877      -1.65098569      -2.44190712 
O       1.83745996       3.71441005       6.05228997       0.88371118       1.47681400      -1.94697665 
O       7.72188001       1.37271997       7.24753998      -0.47252051       0.66098272      -0.60826614 
O       9.12370003       3.84209002       6.39252998      -1.69586592      -1.91366802      -0.08951858 
O       3.71833005       9.32261006       1.60629003      -2.77153798       0.14751107      -0.29894737 
O       7.26617997       5.19827004       4.19640000      -0.74304271      -0.99214044       1.06030949 
O       9.12655997       3.44656996       3.93156000      -0.29441293      -1.30638889      -2.72239845 
O       9.16523000       3.72236996       1.01822998       0.13017440      -1.79918126       0.46962702 
O       6.91687002       5.58067005       1.65496002       2.41893209      -1.06148767      -1.36958053 
O       9.35261005       4.06459996       8.90281999       0.22481511      -0.56178077       1.92006598 
O       5.11652004       7.20808996       0.50605395      -0.65677979      -0.87363400       3.87380918 
O       3.32608997       5.44655996       1.63921005       2.36225155      -0.20063249      -4.00481653 
O       3.47508996       9.16528002       4.47773996       0.95042538      -2.99199360      -0.40749731 
O       1.62316003       7.09731996       3.76549003       1.86401589       0.85952009      -1.68798839 
O       0.26748696       8.91752002       4.02510995      -1.79641324       2.03020863       1.92239389 
O      10.87009995       5.34221997       6.69786995       0.65780277       1.86092339       0.54467362 
O       8.70569002       6.95460996       5.89542999       2.34866764      -0.72886671       1.63683318 
O       9.14668003      10.04680003       6.03328002       0.16446758       1.15525903       0.16144829 
O       5.65111003       3.15645005       9.11699004      -1.59402377       1.23474037      -0.37900371 
O       6.88165996       5.15823000       7.06446997       1.51917355      -0.88865188       0.04042914 
O       2.18413004       7.47549996       8.81275005       1.15027682      -1.74171781      -1.47408267 
O       1.71654005       7.25172005       1.00481001       0.42218365       1.21834666       0.82463368 
O       3.82440002       1.65100999       4.03068000      -0.43107557      -4.93538122      -1.41364516 
O       0.12811304       1.82624999       4.58764000      -0.93727582      -5.37093104      -1.86410801 
O       1.48280004      10.72289156       6.62510000      -1.15878717       3.81851836      -5.08882710 
O       1.34941996      10.88870005       9.01066995       0.69484696      -2.22109770       3.09247460 
O      10.64969996       1.76291999       9.69336996       1.21731006       0.58730099       0.81070490 
O       0.17729098       2.61575006       7.00581995      -2.23569796      -3.91085824       2.91292047 
O       1.99416003      10.92610055       0.81992099      -4.78772619       0.09805113       1.30922703 
O       1.90219000      10.75709997       3.57954999      -0.96607598       2.19973023      -0.36847139 
O      10.95820001       1.06012005       1.85947004      -4.19124484      -0.11321957      -1.39217556 
O       2.09663996       3.39899999       3.54392995      -1.17550342       0.65199306      -1.57591101 
O       5.34912999       7.10002001       3.24247000       0.33659879       1.29584687       1.55603525 
O      10.96970006       8.86931005       1.40066000      -0.97599668       2.23125451      -0.05053552 
O       1.30876995       3.15980998       1.00427995       1.01296152       0.63523964       0.12420818 
O       3.77965003       4.77684996       7.07333995      -0.48384637       1.79548859       0.28402961 
O       5.43536998       2.96278001       6.26166996       1.15962250       0.13430742      -0.95709778 
O       2.10016000       3.25848000       8.87102994      -2.16954578      -0.11472472       0.67754968 
O       3.61996005       5.13596995       9.59941004       0.25590547       1.97274903       0.46224346 
O       9.28326005       7.01326004       9.07227999      -1.54067652       0.04505752      -0.77035156 
O       5.20558000       3.48272004       0.81687399       2.79534470       1.56357264       0.36035295 
O       5.25072995       3.45328000       3.40061999      -0.16232802       0.49639728       0.40193316 
O       3.60103000       5.59168004       4.06202997       0.05328051      -5.09595566      -1.47603688 
O      10.91920004       8.69005001       9.41116003       0.27413609       3.41838219       0.50886599 
O       5.75085005      10.80020004       8.62718002       1.24173298       1.25689943       3.16306895 
O       3.79280995       1.22542004       9.17036000      -1.92898741       0.99022769       0.78499826 
O       3.53584005       1.88432002       1.13671998      -1.70912277      -1.19040034       1.31548610 
O       5.43207001       0.32497297       0.74581603       1.31711572      -0.25157837      -1.77921465 
O       5.74929000      10.76210001       3.31868000      -1.77033039       3.84678619       0.42870832 
O       3.30515996       1.54415999       6.59896002      -0.74078344      -0.06823009       0.91888243 
O       0.06537116       8.45324004       6.92122997      -0.45703121      -0.52676798      -2.47368757 
O       1.88827998       6.62028002       6.13091996       0.78328254       1.46748558       0.22806023 
O      10.77610002       5.64525003       1.37902995      -0.42207564      -1.34439107      -0.10043948 
O       0.67504903       5.81010005       9.55575004      -0.31410155      -3.24292262       0.17920605 
O       6.97988001       8.41045004       6.81001001       1.46019966       2.57013092       0.42816014 
108
Lattice="11.04808267 0.0 0.0 0.0 11.04808267 0.0 0.0 0.0 10.71833431" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.027499577748176317 -0.0013394273840598538 -0.0027387341963640765 -0.0013394273840598538 0.009300295321098722 -0.009566706186454423 -0.0027387341963640765 -0.009566706186454423 0.003909887654503466" pbc="T T T" energy=-1059.28648751 free_energy=-1059.28648751 config_type=crystal 
Hf       1.36500000       1.83465002       2.25842003       0.78268038       0.47223665       1.02769751 
Hf       0.18617997       7.20547003       0.14178995      -3.04749961      -0.18207722      -0.20810583 
Hf       1.46318995       9.08985995       7.67025000       0.58021562      -0.61308971      -0.18497940 
Hf       7.08968999       2.93853997      10.61819934       0.45544376       2.85692802      -1.34789868 
Hf       9.07138005       5.30960004       2.65866996      -0.40877338      -0.12172834      -2.66632149 
Hf       3.40240996       7.23517004       5.35644995      -0.83854795       0.32917917      -0.70268783 
Hf       3.69828999      10.81629997      10.47269999      -2.05811359      -0.34806944      -2.24741945 
Hf       7.55092004      10.70600000       5.06872002       0.82609822       0.82632670       0.07473562 
Hf       5.10676995       1.72545000       2.68800004       1.99726133       0.19475250       0.23716483 
Hf       5.64121995       1.61749996       7.66599997       0.62133278       0.02907489       4.11761863 
Hf       1.58718004       9.01932999       2.33891997      -2.21828463      -2.42222468       1.60312009 
Hf       3.59319002      10.94110000       5.43387995       0.40624761      -4.43957177      -0.64857171 
Hf       3.58279996       3.68995001       0.22390097       0.62007333      -1.09282654       0.43018462 
Hf       7.06785997      10.54909999      10.71229999       1.58027418      -0.50396963      -3.40216605 
Hf       8.90673997       2.18937998       2.76638997       0.86219944      -4.76047509      -3.30666328 
Hf       4.96064005       5.11198994       8.05736998       5.53830182      -1.02639445       1.45423137 
Hf       3.71071003       3.20150997       5.18709995       1.60210345       1.19823092      -3.58693954 
Hf      10.96819995      10.92719996       4.75095999      -1.29629358       0.21347161       0.04582020 
Hf       9.30979005       1.66287996       7.65610995       0.47763328       0.29622021       0.71338621 
Hf       4.87261003       9.28299005       2.46734995       4.02346218      -2.70243543       2.20579324 
Hf       3.66007998       7.25724996      10.52750005      -2.39431905      -9.07139620       4.54538945 
Hf       5.52667995       5.54492000       2.62347996      -1.66519889       1.42344190      -1.86661731 
Hf       8.89002003       5.18303000       7.85647002      -1.56107926       0.03338464      -0.85955664 
Hf      10.76359995       7.30414996       5.10374003       0.67140109      -1.94979757      -0.48683000 
Hf       5.65073003       8.96107997       7.53605003       0.96918734      -0.05108500       2.02958258 
Hf       7.00740000       3.53704002       5.30112995       1.50656565       0.66796651       1.81728332 
Hf       7.21636996       7.22312000       5.03853001      -0.50580774       1.74700046       0.14533048 
Hf      10.99109997      11.01370004      10.32230000      -2.53159658      -1.00972936       0.17633983 
Hf       0.07896518       3.59350998       5.54352004      -0.68528411       1.12429204      -0.01823792 
Hf      10.83349996       3.75397995      10.27120002      -0.92262807      -3.27415544       2.10522639 
Hf       1.56706005       5.57117003       8.08773995       0.20052427       0.32884513      -0.75660554 
Hf       9.22357998       8.97030998       8.31139000      -2.22748806       0.29089558      -0.41066915 
Hf       2.04819996       1.85054004       8.11305998      -3.21078602       0.26508953       0.36722300 
Hf       7.34640003       6.78986999      10.30630000      -0.74744263       2.53633514       1.74178760 
Hf       8.78524001       8.98025005       2.31150998       2.14137380       0.11665239      -3.15286615 
Hf       1.90921000       5.26118005       2.56660998      -1.36400691       1.23610242       1.05875193 
O       7.79693002       5.13013001       9.64230004       0.06819372      -2.10438992       0.84530471 
O      10.85370005       5.29145003       4.25488997      -0.87821381      -1.53771029       0.13143776 
O       6.90505995       9.18267998       1.64033999       0.86429493       0.42787496       0.00296879 
O       5.28459005       7.15131001       6.07559005       2.72839076       1.80186208       0.56105355 
O       9.08114998       7.13559996       3.11219999       0.11877423       1.73467940       1.90742766 
O       5.72396004       6.76234999       8.83252999      -1.44352057       1.44434263       0.43697914 
O       7.05675002       1.65288995       1.42257999       0.31779186      -0.76703745       1.49560756 
O       6.91747999       1.30865003       9.30994004       0.72339534       0.23217726       1.82109736 
O       9.05664003       7.46862000       0.56448504      -0.56806873      -0.02153529      -0.49715531 
O       3.55704003       8.90585999       6.81545995      -0.21270615       0.94961274       1.57967000 
O       6.81534002       1.71105004       4.44118995       0.81856080      -0.66216957      -0.37585491 
O       8.20663004       9.04439002       4.19079004      -3.04251791      -1.23280787       2.20334284 
O       8.88951005      10.69869998       0.46500700       2.37679690      -0.21566446       1.99530883 
O       4.15078996       8.78310000      10.03029999       2.30929680      10.27413686      -5.55000413 
O       7.28067002       8.92843995       9.36009005      -1.20043411       1.29955711       0.92591497 
O       9.25783997       0.04279375       8.79226003       0.93024679      -0.92898189      -1.08158452 
O       9.14222997       0.08111060       3.56224002      -0.34563845       0.75199643      -2.53262934 
O       5.78597005      10.54440003       6.14974003      -3.13922250       1.01880195       0.81843975 
O       2.11776001       3.35367996       5.97657001      -5.99829744       0.73828544       3.93942104 
O       7.32400999       2.09520005       6.90693997       0.52724857      -0.97213791      -1.03214792 
O       9.08874001       3.67713004       6.33808002       1.09111645      -1.21918508      -2.09262269 
O       3.34925001       8.86986998       1.41499998      -0.78391921       2.47799589      -0.37073314 
O       7.03873999       5.68791003       3.94925999       0.54749994      -2.80432198       2.09493412 
O       8.25889996       3.67550001       3.65751004       0.63592631       1.47427641       1.29235751 
O       8.79190001       3.76287996       1.11839002      -0.07527682      -1.07348918       0.03540889 
O       6.99986002       5.76533997       1.43085004       3.52286044      -0.60265054      -0.09641414 
O       8.96952998       3.29945001       8.86265001       1.89662683      -1.17858879       1.10353451 
O       5.15993001       7.02637994       1.02686005      -0.56397822       0.54703993      -1.70754031 
O       3.69809002       5.14698000       1.67788996      -2.38717287      -0.01360953       0.42329606 
O       3.38643002       9.15663998       4.15916002       0.39796430      -0.52218162       0.28626883 
O       1.33089004       7.13051000       3.49008001       1.00603182       0.22642588       1.12234423 
O      10.93340004       8.98610995       3.96380005      -0.33067147       2.20937985       1.12323551 
O       0.01381728       5.18447995       6.85627001      -0.08415035      -0.55053750       0.65665075 
O       8.69302001       6.62373003       6.13355995       1.67951296       0.15723811      -2.70537974 
O       9.30711000       0.02929863       5.91753996       1.03290320       1.23773035       1.55319282 
O       5.43756004       3.32872003       9.13983000      -0.90350453      -0.33030523      -0.53257161 
O       6.96556997       4.98688002       7.32681003       0.14918087      -0.41275189      -2.05020283 
O       1.69927996       7.46493999       9.06545998       0.56229028      -0.52018017      -0.10376114 
O       1.87982000       7.21048995       1.18334001       0.06072294      -2.01904855      -2.14239498 
O       3.43808002       1.36821997       4.26953003       1.05648081       1.41411143      -0.44820507 
O      10.65300003       2.11123004       4.07308001       1.11573982      -0.59114564      -0.07213334 
O       1.48335999      10.52220001       6.13675005       0.94837794       0.16134969      -1.21853035 
O       1.91760996      11.00210000       8.85893000      -0.27805639      -2.48571118      -1.95547948 
O       0.03752901       1.75635999       9.48806000      -0.19417645      -0.02254609       0.51773363 
O       0.20662400       1.65434995       6.93776997      -0.49776151       1.58117329      -1.07353294 
O       1.70462005      10.96620003       0.47780705       0.42107978       0.17755216       1.94037632 
O       1.74338999      10.82288065       3.06795996      -2.62753938       3.73964297       1.31017849 
O      10.54890002       2.07170000       1.41941004       1.41372492      -1.21888980       0.23283059 
O       2.16181004       3.40594005       3.49135999      -1.82743489       0.26974694      -1.10216364 
O       5.57242995       7.52958001       3.31432998      -0.45745410       1.46361273       1.71465212 
O      10.90099999       8.94185001       1.14462003       1.41533882       1.28162058       3.66777899 
O       1.45730000       3.86942004       0.90603302       1.05260688      -0.93656304       0.34652963 
O       3.45004002       5.53259995       7.08898005      -3.84347841       1.34442429      -1.60813883 
O       5.23707998       3.67721003       6.36750003      -0.43306902      -1.49757356       0.45770981 
O       1.26391999       3.64858997       8.88016002       1.43831855       0.43937647      -2.03514193 
O       3.33937005       5.16820999       9.67733002       0.38250975       1.34175890      -1.24747739 
O       8.63622005       7.11713994       8.36762996       0.73160639      -0.06882656       2.25203618 
O       5.47798000       3.66447004       1.07641005       0.07608904      -1.79019620      -0.86260170 
O       5.15414998       3.52775996       3.67976001       0.95733460      -0.37332954      -0.16766058 
O       3.63662998       5.58208001       4.34409995      -0.66296368      -0.76748153      -0.62675805 
O      10.75219999       8.94907004       9.64626004       1.18189921       1.47116900      -2.68958083 
O       5.13642996      10.80519996       8.88794003      -1.11285099       0.04539184      -1.66430731 
O       2.95612996       2.07027999       9.85866002       1.75522371      -1.33567410      -0.25031723 
O       3.34307005       1.83009998       1.75695997       0.99991856      -0.01310181      -1.43166991 
O       5.33140001      10.81075472       0.79379502      -3.37874436       1.28838895       2.84628299 
O       5.36994003      10.89509998       3.61344997      -0.29273639       0.01666924      -0.73524642 
O       3.71305995       1.51504004       6.80627005       0.11226801      -0.55038393       0.64127243 
O      10.69119999       8.55723995       6.92260996      -0.10707365       0.98201905      -0.44510571 
O       1.44000002       7.10684998       6.31665000       1.88521663       1.11614707      -0.40272582 
O      10.74999999       5.64374002       1.56127995       1.16065000      -0.41501762      -0.69834656 
O      10.99970002       5.48592998       9.46766000      -0.99738738       2.88115409       0.32137374 
O       7.70590995       9.34325005       6.85950995      -1.98122011      -0.88039722      -1.04136327 
108
Lattice="11.05503374 0.0 0.0 0.0 11.05503374 0.0 0.0 0.0 10.72507792" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.017863800693651965 0.0007148671720275798 0.001191487283747038 0.0007148671720275798 0.0017488200636712225 0.0036914201675511057 0.001191487283747038 0.0036914201675511057 0.019571838586898448" pbc="T T T" energy=-1058.66351526 free_energy=-1058.66351526 config_type=crystal 
Hf       1.47978005       1.33208005       2.79426000       2.18883320      -2.51906404      -1.41175695 
Hf      10.69689995       7.10162997      10.66469123       0.18169582       4.08528427       0.02884469 
Hf       1.63126994       8.92553996       7.90571995       0.29382905       5.83681302      -0.71452144 
Hf       7.49182999       3.39950004      10.58469995      -0.43306237       1.89708646       0.80406196 
Hf       8.96872003       5.36973003       3.17694000       1.22410078       0.19056876      -3.71787307 
Hf       3.52484002       7.25521998       5.19305999      -0.50563266      -2.40241368       0.94132393 
Hf       3.34251001      11.05320004      10.67990003       1.84196442      -2.32874786      -2.00097062 
Hf       7.57754000      10.68929995       4.90810003      -3.69585719       1.46355697       2.19741689 
Hf       5.26223000       1.43302997       2.48228003       0.42218711      -1.40248542      -1.07608096 
Hf       5.31918001       1.84430000       7.86933995       0.73125547      -1.20824473      -1.76985273 
Hf       1.56738998       8.87482996       2.24094004      -1.18068750       0.48064559       1.05565877 
Hf       3.59688004      10.94539998       4.97018998      -2.17306137      -1.63316226       2.48549768 
Hf       3.55430003       3.64612999      10.40349997      -0.45999389       0.81927726       1.34083383 
Hf       6.99966000      11.01357913      10.49190003       2.19993617      -1.30860351       0.63037679 
Hf       9.24130997       1.67070999       2.46989997      -0.14377074      -0.75902548      -1.38392990 
Hf       5.42112002       5.52757004       8.39343997       1.09067441      -3.02788255      -1.65119960 
Hf       3.48044002       3.65710996       5.77187003       0.50439667       1.59692428      -3.99094225 
Hf      10.85409999      10.66120004       5.17602996       5.06713858      -0.20253955      -1.16823422 
Hf       9.11357005       1.77035001       8.04742000       0.98495707      -1.37886406       0.17100160 
Hf       5.29679002       8.79817005       2.75811005      -0.11354258      -3.54409435      -2.47088343 
Hf       3.76060000       7.19390003      10.52599999       0.62715448       1.24835011       1.57886820 
Hf       5.43312004       4.74916997       2.30598002       0.08788773       6.10667842      -0.86342831 
Hf       9.21116997       5.47490994       7.62058003      -0.96208954       1.07806059       0.14981344 
Hf       0.11824995       7.07685995       4.89463995      -1.55270901       0.97767242      -0.17562939 
Hf       5.22124998       9.57574995       7.82951001       0.11779962      -0.28769969       0.38675004 
Hf       7.38594996       3.23148995       5.13374999      -1.82249438       0.67293317       2.86340490 
Hf       6.95797998       7.06480001       5.38181997       0.66226072       2.79716624       1.61327407 
Hf      10.93440000      11.00250044      10.71913044      -0.31698664      -0.43523396      -4.38629988 
Hf      10.85129997       3.20318995       5.16416996       2.30189064      -0.36959445      -3.29428455 
Hf      10.98749998       3.94372995       0.14046302      -0.31403740      -3.40857650      -3.24451438 
Hf       1.55413997       5.47139997       7.67288999       1.52015109      -1.44984460       2.35323201 
Hf       9.04659003       9.18306000       7.39274001      -0.67706340      -0.21091287       3.58807278 
Hf       1.65489997       1.57146995       7.88953999      -3.75730271       0.49797813      -0.12998960 
Hf       7.28036997       7.54420000      10.20229998      -1.23903295      -0.85671933       3.40241390 
Hf       8.96338996       9.00068003       2.47952004       1.47507988      -3.13790748      -2.49211249 
Hf       1.70131994       5.30864003       2.32610005       1.62914973      -0.17948669       0.75982164 
O       6.82416001       5.46732995       9.97858000       1.10686433      -2.23865609      -0.36915291 
O      10.94289999       5.15831998       4.04291004       1.21380523       2.56573953       0.32616862 
O       7.33078998       9.15524001       1.24714005      -0.28713114       0.17052378       0.80499828 
O       5.24008997       7.27239000       6.19769005      -0.02726271       0.09334541       0.86837228 
O       9.52196997       7.28183995       3.62464004      -1.84330201      -1.76869619      -0.81294812 
O       5.38910000       7.20168996       9.15617995      -1.13445625       2.11601834      -0.80423804 
O       7.16091999       1.66234996       1.33630996       0.10097589       1.08134426       1.16811958 
O       7.49180998       1.77311996       9.36859999      -1.14734116       0.03778817       1.01633496 
O       8.96270996       7.13987994       0.81223900      -0.30252464      -0.21347962      -0.28378811 
O       3.53709994       9.31943998       6.67659996       0.50257895      -0.08218285       1.08542148 
O       7.61906005       1.61172000       4.23379004      -0.33300908      -0.81988369      -2.57397774 
O       7.04565999       8.87350004       4.24720003       0.22943724      -1.92338137      -1.94707119 
O       9.18665996       0.11813597       0.64476305      -2.43325850       0.62040179       1.85327082 
O       4.01423000       9.19631001       9.38517002      -2.33711613      -0.19623539       2.11111942 
O       6.59760998       9.26605003       9.52093996       1.46635665       0.46303892      -0.80450748 
O       9.04300002      10.89154074       8.67315998      -0.34610091       0.80150474      -0.32408453 
O       8.77837004      10.71189997       3.33182997      -0.78045476       1.89692239      -0.13088319 
O       5.11534000       0.33960102       6.26274001      -0.01021862      -0.43891162       1.24070308 
O       1.31728996       3.76940998       6.23376997       3.42894742       2.28738482       0.54813656 
O       7.62393001       1.42089995       6.68301002      -1.11247218       2.53521510       0.37256284 
O       9.30706995       3.82451004       6.20489001      -3.30056936       1.47696998       1.78563237 
O       3.43356999       8.62846997       1.56368000       1.38732763       1.16034341      -0.19623673 
O       7.67264999       5.42918002       4.61882999      -0.32565111      -2.77058470       0.19599599 
O       9.47274998       3.40012996       3.63141003      -3.18977870      -0.48830866       0.01952101 
O       9.38458995       3.30808995       1.19951996      -2.10747015       0.51431995      -2.51320298 
O       7.35582997       5.21090999       1.88103002      -0.05694838      -1.79377646       1.18549021 
O       8.84008001       3.78951997       9.02537004       0.80555168       0.30019064      -0.48319121 
O       5.57920004       7.12734995       0.87575903      -1.15627496       1.29717114       0.26006220 
O       3.45814998       5.53625002       1.31684995       1.93601795      -1.90839819       1.73527023 
O       3.51765005       8.88393003       4.27859995       3.71366716       3.10501562      -2.61167602 
O       1.80031003       7.47290001       3.90033997      -2.10704580      -1.87500365      -2.91393831 
O      10.63360005       9.22400000       3.74582001       1.72203169      -0.02898612       2.37788191 
O      11.02929994       5.94755995       6.55091996      -1.55434557      -1.20625807       1.90803494 
O       8.95015001       7.44964995       6.29849999       0.34773616      -1.25188162      -1.11932608 
O       9.13903996      10.75169998       6.02316000      -1.50987149      -0.00781573      -0.64042824 
O       5.22851005       3.37806002       8.99664002       0.35523373       1.90775909      -0.13467191 
O       7.18665003       5.81807997       7.35687996       0.80213308      -0.66487089      -1.34182958 
O       2.09918000       7.44116996       8.89499996      -0.05678574      -4.06085805       1.49299530 
O       1.65975998       6.96456004       0.94335597      -1.73491032       1.25672065      -0.04870431 
O       3.36945997       1.91259004       4.31167995       0.90025309      -2.29761292      -0.12675232 
O      10.74709998       1.18397996       3.91199995      -0.78006945       1.01945296       0.20063376 
O       1.64063997      11.00537530       6.20162004       1.54524378       2.03146244      -0.86555091 
O       2.09858004      10.98269999       8.81959001       0.26717266      -1.14906647       1.40886057 
O       0.05275407       1.78478998       9.31136003      -1.43696885      -1.16941248       0.76799212 
O      10.87199997       1.88692003       6.58031997      -0.74410548      -2.88947054       2.27573040 
O       1.52305001      10.66020000       1.02169001       2.48334009      -0.55131482       0.09937870 
O       1.69232004      10.43909999       3.63723000       1.19438668       1.57239200      -0.14216173 
O       0.12806626       1.68759998       1.37765996      -0.96229881      -0.27832387      -0.26463577 
O       1.22589004       3.02481001       3.39961000      -0.01305134       4.82540268       1.25341588 
O       5.32110004       6.71829004       3.49212999       0.53215096       2.01226869       1.06972742 
O      10.69849995       8.95311994       1.24858998       0.45655413      -0.49922504       1.00460880 
O       1.76520997       3.81242003       0.77970105      -0.16549733       0.16271284       1.07084639 
O       3.86168005       5.23883998       7.02915000      -2.99758945       0.15684429      -0.81661781 
O       5.46681998       3.28299999       6.21423005       2.30380848      -0.48719275       0.19288349 
O       1.57825995       3.65478995       8.78919996       0.51650275       1.47647385       0.07251621 
O       3.48254004       5.33114995       9.52774996       0.97420948       2.50868065      -1.04265054 
O       8.79189002       7.71538002       8.88190003       1.16497505      -1.32812249      -0.13747407 
O       5.44129999       3.57472995       0.65678801      -0.90026574      -0.78442663       1.69811153 
O       5.52549004       3.43668000       3.69357001       1.39868765      -1.95075652      -0.63784723 
O       3.27504004       5.21842001       4.28722999      -1.15238858       0.09765882      -0.00935212 
O       0.00516624       9.28774996       9.56568005       1.27356251      -1.54724151      -0.80863611 
O       5.38001000       0.15984705       9.28124005      -1.00321926       2.66860176      -3.71052563 
O       3.43770004       1.79245002       9.96071996      -0.77344858      -0.95464484      -1.60992233 
O       3.44077003       1.13436000       1.62153000       0.19265127       1.67488786       2.67536631 
O       5.45308001      10.95039995       0.98042002      -2.20545230       0.19789363       1.27149131 
O       5.42270995      10.64850002       3.60282995      -0.78806184       2.83655388       0.09776283 
O       3.29294002       2.33909004       7.15289005       2.17603992      -2.13482576       1.91006359 
O      10.93008477       9.61508995       6.88058998       0.51946478      -3.07035574       0.89733241 
O       1.65301000       7.63157004       6.36517995       0.77045369      -1.96871395      -1.20276456 
O      10.86599996       5.49603998       1.36562996      -0.40713692      -0.58930393       0.27522237 
O      10.77600005       5.59887004       9.19717999       0.29872448      -0.04685205       0.47077310 
O       7.06841003       9.25481005       6.72360004      -0.36801094       0.80813456      -0.04822480 
108
Lattice="11.06166906 0.0 0.0 0.0 11.06166906 0.0 0.0 0.0 10.73151519" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.006052682110139552 0.000953284975059349 0.0025727685240730736 0.000953284975059349 -0.011896978574361183 -0.005581856440730309 0.0025727685240730736 -0.005581856440730309 0.03636508018130232" pbc="T T T" energy=-1053.74572054 free_energy=-1053.74572054 config_type=crystal 
Hf       1.63962994       1.94307000       2.76289995       0.65394948      -2.99108508      -0.38677993 
Hf      10.68929998       7.43546003       0.13656400       3.21412172      -1.83949379       0.77332256 
Hf       1.67200999       8.90382005       8.11127002       1.58717882      -2.04708118      -2.55084015 
Hf       7.12358999       3.68249998      10.53285714      -0.71533513      -1.65374533       2.07642665 
Hf       8.86244996       5.36926005       2.57839999       0.88031431      -2.95798387      -0.88183885 
Hf       3.21315005       7.27162001       5.05033003      -0.34463006       0.30919030       2.44536078 
Hf       3.44561998      10.76300001       0.01651956      -0.79654635      -0.30956319       0.07699739 
Hf       7.22125999      10.61099996       5.36220997       0.53192586       3.74122011      -0.39673820 
Hf       5.41001998       1.75031002       2.59583000      -2.31284007       0.19961347       0.75066582 
Hf       5.27426996       1.89129995       7.63110995      -2.50151250       1.64239220       2.83226724 
Hf       1.26186001       8.69158003       2.61114001       3.42204632       1.36276441      -0.07372758 
Hf       3.42816002      10.63560001       4.80124996       0.33355974       0.29298767       0.17009616 
Hf       3.60844996       3.00203002       0.00118476       2.05035955       0.45954331      -3.06255141 
Hf       7.36807998      10.78269996      10.46579998       0.18656080       3.88033589       1.52129825 
Hf       8.97895998       1.41143999       2.92538003      -2.31891898       2.24081916      -4.11779364 
Hf       5.88088005       5.70190999       7.69146002      -6.41464294      -1.14915467       1.03605716 
Hf       3.70772003       3.52576000       5.15706998      -0.33973657       1.37553437      -0.25690645 
Hf       0.08343098      10.79529998       4.73333996       0.59982552       0.26887765       2.98331750 
Hf       9.06735997       1.67287999       7.95457005      -1.09094002       1.16975335       0.64848841 
Hf       5.50977997       9.14995004       2.20868995      -2.10186418       0.47804834      -2.01153158 
Hf       3.54848996       7.18272999      10.42869995       0.34316029       1.29685770      -3.70942518 
Hf       5.30232998       5.54077997       2.39326997      -2.32485527      -3.03794721       0.43196135 
Hf       9.11414995       5.60403999       8.11066004       0.74647490      -1.47017591       0.23771984 
Hf      10.78619998       7.11464995       5.55456004       1.09677885      -0.32101943      -2.56563594 
Hf       5.45113001       9.14508999       7.80885002      -1.50710801       0.59253682       1.96724568 
Hf       7.48031997       3.76115995       5.29585004      -1.43931638      -3.70005199       0.59633012 
Hf       6.81884001       7.41510003       4.90576998      -0.87153009      -3.15736849       2.47745455 
Hf      11.01460431       0.00972055      10.56689997       0.09601931      -0.81065013       1.04492804 
Hf       0.04178081       3.20391997       5.50361002      -0.97969927       2.16397912       0.53169755 
Hf      11.03750097       3.56329003      10.34450005      -1.90651552       2.20137164       0.60776159 
Hf       1.91746998       5.07616000       8.03714004       3.10059786       1.11182391      -0.25464370 
Hf       9.22620996       9.31698003       7.81900998      -0.44369640       0.34850328       1.42651773 
Hf       1.69652000       1.14447004       7.59392997       2.85822514       1.66705297       1.13419275 
Hf       7.20564003       7.32521999      10.58000004      -1.90051902      -0.89866008       0.63648018 
Hf       8.89523000       9.12654001       2.68062003       0.60991438      -2.88392235      -2.34257173 
Hf       1.65023997       5.36681000       2.49190000      -0.28199579       0.43136948      -0.41035630 
O       7.09124998       5.33143003       9.16132002       2.64411532      -0.43233877       1.47302572 
O      10.72439999       5.39992996       3.14857000      -0.02800316      -0.28838864       0.05549243 
O       7.46229995       8.91263001       1.11348002      -0.04265597       1.39735023       1.29615495 
O       5.11966997       7.35054004       6.85482004       1.18942715       0.22956825      -2.85517036 
O       8.66213995       7.55573002       4.15278999      -0.00071835      -0.24734831      -0.42279773 
O       5.61592996       7.52488998       9.31446003       0.64143134       0.01649034       1.11798877 
O       7.05890998       2.03524003       1.66749996       2.00535789       0.57014635      -2.03940552 
O       7.38035998       1.44884005       9.37768003       0.84941047       1.60361791      -0.74012574 
O       9.37137003       6.99944996       1.58306998      -1.74957044       0.59635314       0.09257016 
O       3.12014995       9.04682000       6.30215999       1.31865434       0.31555072       0.40444060 
O       6.73802998       1.05849001       3.87683005       3.81152869      -2.18391539       1.68071108 
O       6.62459998       9.11739002       3.98006003       1.94586446       0.03503909      -1.63738173 
O       8.76984997       0.02326922       1.25168004       0.67745591      -0.24324760       1.77473153 
O       3.70730002       9.51968003       9.11761003      -0.39318608      -1.89123687      -1.71763516 
O       7.33754003       9.28983005       9.34552004       0.16287916      -3.38426537      -1.88333001 
O       9.28001005      10.83825011       9.35757003       2.25812288       0.43413087      -0.26345299 
O       9.07864000      10.57539997       3.95949995      -0.42023524       2.23067024       1.12484428 
O       5.40114000      10.43210003       5.41908003      -3.09831891      -0.17902564       2.09463385 
O       2.15690998       3.10612995       6.77470005      -4.28915099       3.18426175       0.41547296 
O       6.77054001       2.11088005       6.43708003       2.37991597      -0.57306775      -0.71412248 
O       9.13817003       3.24261004       6.39344001      -0.84167453      -0.42222105       1.25682691 
O       3.97951000       8.92128997       0.86163400       0.18959927      -0.82834665       0.45919591 
O       7.00118001       5.38341002       4.40332999      -0.06371180       3.40187927      -2.95693081 
O       8.80412001       3.45486997       3.83816000      -0.54796536      -0.55109769      -0.74532561 
O       9.13425995       3.62984002       1.00966999      -0.05813112       2.07024487       0.00107797 
O       6.96285000       5.36916005       1.12124996       3.92611534      -0.33854274      -0.83981193 
O       9.13096003       3.51343996       9.13675998      -0.60849023      -0.07334648      -0.02326285 
O       5.88034002       7.21708996       1.63692995       0.91400408       2.80316902      -0.44674913 
O       3.88479003       6.01063996       1.03539000      -1.08394609      -2.30804913       2.34651718 
O       2.99559998       8.94278002       3.67863999       0.34152726       0.07443637       0.64228846 
O       1.65088995       6.94666999       3.88470000      -1.78015777      -1.31531349      -1.97735679 
O      10.90539998       8.87755003       4.05210005      -0.37724604       0.02035780       0.71537718 
O      10.58310000       5.19045005       5.96514996       0.62183629      -0.38447336       0.05346346 
O       9.44629005       7.29566996       6.94307001       1.32600719       2.13098834       2.59207417 
O       8.85373005       0.05433094       6.78348004      -0.86069874       0.06844183      -0.76031108 
O       5.17770999       3.32868000       9.39421000       2.77831850      -1.17305369      -0.63831600 
O       7.63050004       6.10613999       6.76188995      -1.91499901      -1.94159899      -1.01549105 
O       1.98652001       7.05236003       9.01697996      -1.23695331       1.15396688      -0.03778640 
O       1.54997003       7.18526997       1.36517998      -0.20255099       1.12656409      -0.91893644 
O       3.47357005       1.91326002       3.91283997      -1.09268993      -1.35291465       0.26510791 
O      10.73110004       1.66191003       3.97199004      -0.55700364      -1.34992967       1.94148677 
O       1.60228000      10.95220002       6.03103996       0.81138122       0.53419238       0.14507126 
O       1.45959995      10.52719996       9.12558998       0.39763368       3.81016475       0.52683736 
O       0.28648395       1.64446998       9.40065996      -0.78224720       0.70010969       0.27019915 
O      10.98429999       1.65843003       6.71824004      -0.50809404      -0.73100450       1.18081269 
O       1.71126000      10.22030004       1.18653996      -0.62052563       0.91830862      -2.40737728 
O       1.68675996      11.03180001       3.57732998      -1.82464701      -0.14566105      -0.11244591 
O      10.80969995       1.65692995       1.59361005       1.23993053      -1.06598985      -1.88907399 
O       1.36239996       3.36516005       4.02674996       0.48955900       2.50102173       0.57087785 
O       4.76271997       6.92531997       3.87480995       3.87358543       1.36471060       0.85726205 
O      10.54429998       9.09857003       1.53530004      -0.14259299       0.47030950      -1.53408239 
O       2.36842005       3.13025003       1.46026002      -4.00175673       4.59657869       0.93231053 
O       3.08861003       5.47417998       6.01461999       0.03557846      -1.61470760       0.54890762 
O       5.14914998       3.99532996       6.63384998       1.28279422       0.99209933       0.11872027 
O       2.04372997       4.04921997       9.74018997      -0.41869273      -1.43647708      -0.22954472 
O       3.98691999       5.67978997       9.06105000      -0.04991547      -0.34629673      -1.66343860 
O       9.09372004       6.93346003       9.78751005      -0.94224021      -0.50338024      -1.98075407 
O       5.25616001       3.87900002       1.14368000      -1.30844458      -3.06017690      -0.27048644 
O       5.48491002       3.24150995       3.94760997       0.97489818       1.98687677       1.17912842 
O       3.39624003       4.94602997       3.38695999       0.02391815      -0.91582537       0.24944803 
O       0.02553089       8.83122000       9.31952005      -2.94407244      -1.67822191       1.93641865 
O       5.58151003       0.04918958       7.95553996       0.48910294      -1.64543461       0.23686072 
O       3.27008999       1.59445995       9.17096004      -0.45333978      -1.18010029       1.56691366 
O       3.56839002       1.30680003       1.41088003       1.02623788      -0.69197205      -2.16894497 
O       5.43221997      10.89060002       0.18272701       1.25777588      -0.26994148       1.25679478 
O       4.58603005      10.66295009       3.01611005       0.83710620       1.05569874      -0.05350762 
O       3.52971997       1.54728005       6.58676997       2.90836824      -2.09719511      -0.85268278 
O      10.88560003       9.57765003       6.90692004       1.04979616      -0.70766047      -1.59689267 
O       1.50453998       7.20085995       6.21996002      -2.54063635       1.12709479       3.50477695 
O       0.37417500       5.42719996       0.41241996      -1.07667362      -0.80834335       0.40436479 
O      11.00449030       4.90886995       8.65332004       0.41964444       0.66013523      -0.98972867 
O       7.33970005       9.16736000       6.88096995       0.04424401      -1.82709009      -2.29177372 
108
Lattice="11.07327601 0.0 0.0 0.0 11.07327601 0.0 0.0 0.0 10.74277572" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.006995240433856667 -0.0010514108046083405 0.010259597916110098 -0.0010514108046083405 0.014447338233185635 0.022805549959751353 0.010259597916110098 0.022805549959751353 0.03144427722634261" pbc="T T T" energy=-1052.126753 free_energy=-1052.126753 config_type=crystal 
Hf       1.57838000       1.69782001       2.60372999      -0.61022585       1.00451693       1.04779584 
Hf      10.86909997       7.44060997      10.52689996      -0.75203352      -7.06400110      -0.14960567 
Hf       1.58830000       9.08073998       8.27818004       3.81182166       0.68142488      -2.62775810 
Hf       7.27433000       3.82339004      10.64800961      -1.80712693       0.94030399      -1.36971861 
Hf       9.03734005       5.36604001       2.76613003      -2.35287785      -1.22069510       2.12942473 
Hf       3.43061995       7.57824005       5.13541001       0.87835460      -4.07447930       4.30513404 
Hf       4.03779004      10.70959995      10.55999996      -3.85837738       2.24802631      -2.52560864 
Hf       7.08175001      10.86929995       5.22748000      -4.24750030      -1.05673825       0.47400049 
Hf       5.57568005       1.65434002       2.55687000       0.12560014      -0.68393078      -1.04805445 
Hf       5.57695004       1.88770997       8.16236003      -0.54671733       0.69160667      -0.90192855 
Hf       1.69449005       9.30468005       2.23235997       1.38972583      -3.09538166       4.01082916 
Hf       3.24088999      10.98420003       5.25921996       1.16476040      -0.64407592       1.20701831 
Hf       3.35141003       3.26511001       0.22417498       1.32626184       1.62808657      -1.80911143 
Hf       7.19775996      10.78740001      10.67470004       0.44445207      -0.91757523      -0.93427968 
Hf       9.05741003       1.57317999       2.16878003       0.90709970       0.70810508       3.41556330 
Hf       5.70259995       5.60593003       7.78028998      -0.94754721       0.79121259      -4.72925008 
Hf       3.90571996       3.53073997       5.49835995       0.46233042       3.97439248       0.30927331 
Hf      10.57960002      10.96310001       4.99319005       1.94540379       0.57894531      -1.21682323 
Hf       8.97198004       1.48938995       8.17121003       0.88195279      -0.22553293      -0.89496584 
Hf       5.47537001       9.11048003       2.35935000      -1.25669582      -1.41018144       3.91307799 
Hf       3.33915003       7.22854001      10.68189996      -0.00297771      -2.91205756      -0.86233737 
Hf       4.96719999       5.41782995       2.67166999       4.27368674       1.46685997       2.29118816 
Hf       9.25265005       4.97032000       7.90914002      -2.62062312       5.51618903      -1.52569323 
Hf       0.27165603       7.01827998       5.77239999      -2.96702718       2.18631332      -4.29578454 
Hf       5.22914000       9.04864000       8.03339999       1.99579677      -1.85272603      -3.08114160 
Hf       7.36714000       3.08138000       5.07152003      -0.06292850       3.02470099      -1.07530972 
Hf       7.46671001       7.24216003       5.10260995      -1.54011010      -0.99213961       2.12299075 
Hf      10.67199998      10.67430001      10.54609999       4.30231008       2.54197310      -3.31516525 
Hf      10.78769999       3.57125996       5.13979005      -0.49819523       0.57897322       0.72775226 
Hf      10.90180002       3.53092998      10.70244186       0.38960902       1.64684843      -1.37195855 
Hf       1.80969000       5.11691002       8.26495998       0.92184519       1.00819006      -0.04438953 
Hf       9.31100998       8.78755994       7.40279003      -2.23950409      -1.51771679       0.58168082 
Hf       1.33480004       1.79856002       7.80339995      -1.20989792      -0.05232300       1.24885164 
Hf       6.96936999       7.00549002       0.00514074       0.38709769       1.55032952      -1.30535198 
Hf       9.14268001       8.97069000       2.37983002      -1.58099102       0.65412112       2.09783470 
Hf       1.38325005       5.60548001       2.47091995       0.29072140      -2.33569121       1.87450460 
O       7.54440001       5.99164999       7.04633001       0.86566532      -1.06870145      -0.28986312 
O      10.53190000       5.45310996       4.23438999      -0.04360638       1.36350448      -2.02371364 
O       7.28388004       9.17740005       1.49146005      -0.90527616      -0.02911174       0.07116739 
O       4.97890001       7.33007996       6.67566998      -0.44550358       1.38405214       0.17186013 
O       8.27953000       7.26301998       3.25551997       3.23009051      -0.06300514      -2.05318724 
O       5.36772005       6.60698994       9.32913999      -1.80104233       1.54246076       0.85772991 
O       7.23137001       1.43197003       1.34391995       0.19237575       0.20828407      -0.30718834 
O       7.37363005       1.88071000       9.46053004      -0.17461076      -0.74584847       0.69643903 
O       8.98841001       7.57448997       0.64441400       1.90639166      -0.11175966       0.02053928 
O       3.27211995       9.38795994       6.64770997      -1.00168704      -1.49149183      -0.36323955 
O       7.24466005       1.25371000       3.95054995      -1.11418158       3.14304581      -0.36522038 
O       6.83486999       9.10142996       4.45816996       0.21582539       1.18885296      -1.33764214 
O       9.06844998      10.59680003       0.67481605      -1.65956300       1.96856918       1.04781337 
O       3.49020004       9.01975004       9.39711995       3.11303715      -1.03401972      -1.35581762 
O       6.81557005       8.63828000       9.56847001      -0.60076917       3.11570224       0.04029071 
O       9.02287005      10.58189994       8.73614006      -0.19462054       0.51533176       0.47627900 
O       8.87654999      10.88870000       3.23254999       1.56839991      -1.53357593      -1.29949866 
O       5.17860001      10.90759998       6.46833000       0.84522430      -0.20345323       0.16455136 
O       1.22890996       3.58136001       6.65482996       0.47409545      -1.64245953       1.00313939 
O       7.22184998       1.57250995       6.62635999       0.48754566      -0.12028302       1.74999744 
O       8.98308000       3.60860005       6.09025004      -0.06860510       0.05664910       2.92093210 
O       3.52576995       9.07061004       0.97863400      -0.38248653       1.00044476       2.95522564 
O       7.11252995       5.48996005       1.35302005       0.79290459      -1.46681376       1.38245161 
O       9.12057000       3.28774003       3.64295002      -1.40485179       0.85080869      -1.81000506 
O       8.88308998       3.21731997       0.96865997       1.21255661       1.25840074      -1.07352217 
O       7.70547996       5.61052001       9.54215999       1.83549570      -1.38471288       1.42543387 
O       9.33048997       3.44725998       9.08313998       0.67867912      -1.65639137       1.04989201 
O       5.11327001       7.34279994       0.71483203       2.85855016       1.17775595       3.67628653 
O       3.46348997       5.84495998       1.62319001      -2.50956126      -0.24764024       1.09995783 
O       3.76217996       8.66559002       3.74190000      -1.21107967       5.08150981      -3.48276650 
O       1.59149995       7.29152005       4.06124996      -0.43145082      -1.22096310      -0.13954130 
O      10.89250002       9.38079996       1.43686000       0.37202904      -2.20955178      -0.51600556 
O      10.72090001       5.42071996       6.66791004       0.61239115      -2.13557573       0.39233028 
O       9.41370996       7.79095004       5.63116998      -1.26882202      -0.95466003       0.97675258 
O       8.87498999      10.62389999       5.69156995       0.94168663      -0.91150504       3.46546110 
O       6.26725995       4.03204002       8.61618998      -0.48088971      -6.39991205       2.70055437 
O       7.46313002       5.22299001       4.51288001       1.28901751       0.10564990      -1.73857275 
O       1.69161001       7.22633001       9.40381001       0.64460663       2.26875607      -1.26255779 
O       1.34730996       7.14948003       1.29249998      -0.17195111       2.96225699      -1.38759741 
O       3.28387999       1.81316999       4.57812003      -0.37825247       0.09736562      -1.21053070 
O      10.70180004       1.64374998       3.62245001       2.19423466      -2.53722305       0.95564063 
O       1.63711997       0.31275095       6.66646997       1.58373931      -1.17659999      -3.75724841 
O       2.35881995      11.02732812       9.04441002      -1.86821959      -0.47511724       0.43500831 
O      10.81670001       1.36535996       9.28533997      -0.49283388      -1.02571631       0.52024269 
O      10.50780001       1.39927995       6.79812000       0.07025547       0.89710250      -0.94824444 
O       1.70072996      10.71739997       1.11406000       0.15967112       4.38377681      -3.02211404 
O       1.78496005      10.81530002       3.66532002       0.40354764       1.09638544       0.31687212 
O       0.21234801       1.81299005       0.95702297      -0.74755044      -1.57769163       2.33347004 
O       1.08815002       3.63983001       3.78679997       3.05147004      -0.52560525      -2.21750121 
O       5.59612996       7.33146999       3.67702997       0.13238874      -2.84165591      -2.26984639 
O      10.99529999       8.88695001       9.37691999      -0.42180283       6.37897915       0.32634420 
O       1.76786003       3.92775002       1.34002000       0.57802917      -2.44501282      -0.09754111 
O       3.57613996       4.86899996       6.98442004      -0.68298084       1.01835183       2.41234664 
O       5.84781998       3.87383003       6.11067002      -0.75099629      -0.93545660      -1.47932706 
O       1.48869001       3.24449999       9.44223005       0.86733945      -0.45461013      -0.75664597 
O       2.95527001       5.18371000      10.01650005       1.13868445      -0.24665834      -1.14411448 
O       9.99094002       7.06252005       8.35378995      -2.04722945       1.24149813      -0.04949587 
O       5.27372001       3.71413003       0.90157897      -0.39195876       0.01532679      -1.91075532 
O       6.02774998       3.52498995       3.12672000      -1.52977032      -0.36702744       2.51736283 
O       3.79296998       5.59326995       4.51487000       0.41278045      -1.93237550      -2.29131283 
O       0.18161701       9.05804996       6.72319999       0.78363001       0.54114386       1.12337405 
O       5.85448997      11.02719014       9.20910000      -2.70205034      -1.23734665      -1.21993969 
O       4.07730004       1.74285004       9.73544004       0.72207787       0.41915480       0.21883898 
O       3.64932999       1.76831005       1.66437996      -2.06214868      -0.24096515       0.82233040 
O       5.60557003      10.96270005       1.10136000      -2.53484541      -1.47887056      -0.96856401 
O       5.07418002      10.98089997       3.47274996      -0.57893356      -0.59585650       0.84479464 
O       3.95016001       2.45921005       7.01133005      -0.06033474      -3.69496725       3.62567682 
O      10.73079996       9.21416000       4.28718998       0.37143063      -0.40557113      -3.21176903 
O       1.84787995       6.90066994       6.75714996       2.58973388       0.34356693       2.17241546 
O      10.78009995       5.09050003       1.28516997      -1.91326693       1.53008077       2.64580099 
O       0.14941703       5.48879005       9.59276996      -1.13044055      -2.42528423       0.33739630 
O       7.30086002       8.40762997       6.94982003       0.17111944       2.73040571       0.73520576 
108
Lattice="11.0868042 0.0 0.0 0.0 11.0868042 0.0 0.0 0.0 10.75590013" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.02115719370756655 -0.005212974269858976 0.006989740983992269 -0.005212974269858976 0.02223536703600862 -0.00712330200168653 0.006989740983992269 -0.00712330200168653 0.026768011842905056" pbc="T T T" energy=-1054.59645829 free_energy=-1054.59645829 config_type=crystal 
Hf       1.89999996       1.54228999       2.67529998      -1.17345736       1.27726649      -0.93072307 
Hf       0.07266291       7.30015002       0.28045397       2.73346576       0.18091946      -4.79334700 
Hf       1.67829004       9.33332002       8.21022004       0.63754787      -3.29208640      -2.36709436 
Hf       7.24735998       3.59344999      10.66529996       4.15567823       0.65718877      -1.09826628 
Hf       9.61129003       5.52662000       2.21062003      -2.69365695      -3.34072534       1.01512313 
Hf       3.23253005       7.25699995       4.78888996       3.72451242      -0.82832331       4.07992709 
Hf       3.50653998      10.97109998      10.75263077       0.53048470       0.85181397      -1.50178669 
Hf       7.21735000      10.99070001       5.41945999       1.17719671      -2.03206185      -1.97789708 
Hf       5.49459998       1.59270002       2.61749003      -1.76539197      -0.95687961      -0.08458514 
Hf       5.15983005       2.14579995       8.22730998       0.03050111      -2.45473546       1.65010035 
Hf       1.64263998       9.21532005       2.44292005       3.15733951      -0.38511519       0.74732790 
Hf       3.39491005      10.86279998       5.36060005       1.19807884      -0.34898043      -1.02203873 
Hf       3.85870000       3.86162005       0.16972197      -2.59999983       0.94649136      -1.35931301 
Hf       7.20646996      11.08460003      10.59750003      -0.87972913       0.19836857      -0.37084437 
Hf       9.25401998       1.58612001       2.47214996       1.23746916       1.42043052       1.62303972 
Hf       5.42264995       5.56172005       7.94578000      -0.49050274      -0.11602072      -0.95794634 
Hf       3.68252004       3.30730002       5.52279999      -4.96606486       2.36192665       0.46028039 
Hf      10.86370000      10.55890003       5.40028996       1.15287003       4.53274174       2.29189585 
Hf       8.90259002       1.49004997       7.75908005       0.77987693       1.44725043       1.67192682 
Hf       5.72483998       9.18757000       2.58282000      -3.78647580      -0.18715195      -0.18009291 
Hf       3.59735997       7.43476001      10.59350002      -0.43287147      -0.31960802       0.55644004 
Hf       5.76123995       5.13294998       2.56405999      -0.03126175       1.80367727       2.20013975 
Hf       9.06425004       5.16719003       7.93113003      -1.41182110       0.70271704       1.47401704 
Hf      10.54189997       6.70379004       5.19913000       2.50595320       1.44686227       0.17139865 
Hf       5.16907001       9.44262005       7.96665999      -0.31174547      -1.32297138       0.05459041 
Hf       7.11217004       3.23580997       5.19782004       0.27203773       4.48284510       1.56398013 
Hf       7.19789997       7.14503000       5.23902998      -1.37327667      -1.23819662      -0.34503391 
Hf      10.75409996      10.85370004      10.34809996       0.90000380      -0.50640660       0.27323778 
Hf      10.65459999       3.15739001       5.10570995       1.65116240       1.64589502      -0.76390297 
Hf       0.06807586       3.33492002      10.51799995       1.74718604       2.47033322       0.45257860 
Hf       1.42593997       5.52599005       7.88325003       2.99483337       1.39669190       0.48760690 
Hf       8.95509003       9.08224004       7.96069004       0.54385117      -2.14926130       0.65882087 
Hf       1.37012999       1.86348003       7.73350005       1.35209354       0.74181669       0.89624069 
Hf       7.29137005       7.33686996      10.53810004       1.63180604       0.00752122      -2.77798676 
Hf       9.21128002       9.27412003       2.59530997      -0.62200103      -1.45523572       1.19960193 
Hf       1.82067000       5.01780997       2.88714002       0.91432747       0.82103567      -1.09960604 
O       7.40399002       5.27364995       6.70931001      -1.53895359       1.74019448       1.45806386 
O       0.17756703       4.99906995       3.99271995      -1.88698484       1.35056695       1.27490976 
O       7.43229996       9.68692000       1.83259005       0.01091517      -1.53392959      -0.91684055 
O       5.38946005       7.19241001       6.04718002      -0.13849599      -1.22233172       1.50724235 
O       9.20390996       7.03516997       3.52883003       0.92666455      -0.15566226       1.37787968 
O       5.40237995       7.28942997       9.17479002      -0.13203082      -0.24382463      -1.87805880 
O       7.74487998       1.69421003       0.88702403       0.24973260       1.08835026       2.02236344 
O       7.41723997       1.62305004       9.06723005      -3.28653331      -0.73804494       2.62752106 
O       9.27981000       7.19384996       0.83165502      -3.07601488      -0.62969753       0.89410918 
O       3.27927002       8.87341000       7.05677000       2.29524628       2.06773389      -0.78130716 
O       7.22657000       1.86937998       3.83771001       1.54543569      -0.09633248      -1.08727049 
O       7.62746995       9.01121997       4.58269000      -1.34582311       0.78058207      -0.11035581 
O       9.34904997      10.67178720       1.03192999       1.35038662       2.27047549      -0.68843138 
O       3.45559999       9.31833997       9.48504998       1.61732724      -1.03908287       2.20526034 
O       7.40141001       9.33766006       9.83202004       0.25296692      -1.74413594       0.73077224 
O       9.26570004      10.84431218       8.76256003       0.64265189       3.38354268       3.98753506 
O       8.81678004      10.86679999       3.63103001       0.69639497       1.61750696       0.21081249 
O       5.47584000      10.80120003       6.23235005      -3.13032899      -0.04796948       1.31643448 
O       1.53219002       3.76460996       5.89410001       0.70900253      -2.62131021       0.66964705 
O       7.29753996       1.83288998       6.66078003      -1.69242403      -1.87982923      -2.18664192 
O       8.94462996       3.64322996       6.00550005       0.13113249      -0.46127007       0.11608251 
O       3.62515004       8.91552001       1.78121998       0.90226830       2.54974409      -1.17706677 
O       7.62329998       5.05975002       1.70292004      -2.58691808      -0.06852344      -1.98920106 
O       9.50194000       3.50276004       3.42124005      -1.91056848      -0.29562576      -1.33086600 
O       9.53976995       3.92840995       0.51756499      -2.34417425       0.41568244       1.98000781 
O       5.49713997       3.81273999       9.40884002      -0.58285522      -0.16143269       1.50692065 
O       8.81126003       3.50497995       9.01929003       1.28459545      -0.53857274      -2.22301100 
O       5.65107005       7.78982999       0.73575197      -0.01689157       0.35556410       1.13812204 
O       4.12482000       5.60792996       1.32021995       0.22013705      -1.28524882      -0.21276842 
O       3.80433996       9.15660001       4.27782004      -1.35924710       1.17260250       0.58733366 
O       1.77757005       7.08017995       3.70965004      -3.09352666       1.10581330      -2.69411981 
O      11.03809998       8.80133003       1.69878999      -2.24873671       0.20767358       0.77735880 
O      10.84220003       5.18164999       6.69620996      -2.20112100       2.23524160       0.21467203 
O       9.06330999       7.49814005       6.34878998       0.89532561      -1.34773869      -2.16226729 
O       9.07800001      10.87980004       6.54698002      -1.08327158       0.38404384      -3.45044618 
O       3.84127000       1.86347005       9.84728998      -0.34482559       1.44389769      -0.24897898 
O       7.03510999       5.28533001       4.09011000      -0.34758211      -0.23706743       1.66483194 
O       1.73720000       7.52632005       9.13598004      -1.13835100      -0.65273878       0.52877621 
O       1.93186998       7.54918004       1.14427999      -0.14625414      -0.18052890      -1.80301621 
O       3.29545000       1.45329000       4.22036998       2.54888127      -1.63352561       1.35660882 
O      10.54899996       1.30883005       4.17545000      -0.15224534       1.28282355       1.65164532 
O       1.34733996       0.00539584       3.84987998       1.27065259      -2.90031465      -1.35033389 
O       1.72050006      10.88137315       6.33857005      -2.36123021       0.52065623       0.83669929 
O       0.04949582       1.66908001       9.45224997      -1.10640856      -0.95954818       0.50213084 
O      10.68490001       2.09970002       6.93722000       0.57880719      -1.39941846      -0.65653472 
O      10.53200001       8.99462003       9.87034999       1.01736378      -0.14686268      -0.20359693 
O       1.46920001      10.71980005       0.88818599       0.41168884      -0.05895291       0.09147889 
O       0.04576489       2.33120003       1.78785002      -1.49194713      -2.80488771      -0.86679766 
O       2.29376001       3.28388003       3.55548003      -1.32661973      -0.86724076       0.14970538 
O       5.60136003       7.44537995       3.37426000       0.96923234      -2.60822898       0.56429697 
O       8.51072005       7.34443005       8.72979003       0.29060476      -2.41929069       1.09234629 
O       2.00475995       3.31043004       1.13696996       1.84868885       2.64418739      -2.75485269 
O       3.51803999       4.60181002       7.39469995      -0.53256779       2.40049231      -0.71382043 
O       5.42451996       3.65273002       7.01010004       2.12330668      -1.64137950      -3.66905758 
O       1.25040004       3.71110005       8.57049999       0.39706539      -3.20573782       1.38160282 
O       3.15178996       5.62798000       9.62803999       1.31295986      -1.62654436       1.83780372 
O       7.39724005       5.31736999       9.61529995      -0.98034256       1.79001106       0.72804089 
O       5.60604997       3.30798995       1.40447005      -0.67672407       1.16604652      -0.94946131 
O       5.14106996       3.30477001       4.23684995       2.79892540      -0.52410780      -2.21391412 
O       3.46531004       5.15772001       4.03629996       1.83202401       3.05297797       1.44061197 
O      10.93600005       9.29460999       7.36470002       0.31164629       0.23618501      -2.21891189 
O       5.30927995       0.02430083       9.15228996       0.24383919      -0.44409998      -0.64183574 
O       1.77636003      11.07528157       8.97994000      -0.29739319       2.69655078       1.22830348 
O       3.46929995       1.13497998       1.50107998       0.76803569       1.46536753       2.78952150 
O       5.52333997       0.00112442       1.05399001      -0.00011862       0.22434164      -0.42033795 
O       5.70092996       0.11719584       3.76562999       0.11202858      -3.35283192       0.48152535 
O       3.39782998       1.73753005       6.86923002       1.21464873      -0.27834273       1.19085979 
O      10.93840001       9.10491999       4.38516005      -0.54619595      -5.37219880      -2.60531934 
O       1.87293995       6.93066996       6.30759004      -1.31721505      -0.87586034      -0.43384468 
O       0.30691101       5.81084996       1.60434996       0.78741176      -1.30292916      -0.42630263 
O      10.92340001       5.43310004       9.65812005       0.33467211       0.89826004      -1.01405345 
O       7.06906000       9.23962998       7.39654996      -0.97176529       0.59605184      -1.93802451 
108
Lattice="11.09957922 0.0 0.0 0.0 11.09957922 0.0 0.0 0.0 10.76829386" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.010389119503996198 -0.0025328873529397093 0.00504731157914547 -0.0025328873529397093 0.02423249382494048 -0.002448213810560679 0.00504731157914547 -0.002448213810560679 0.024772323465924843" pbc="T T T" energy=-1052.34721615 free_energy=-1052.34721615 config_type=crystal 
Hf       1.91124998       1.78405002       2.18787998      -0.75445075       1.76807954       1.01136155 
Hf      10.71109994       7.48434005      10.33100002       2.43113136       0.08308596       3.11668248 
Hf       1.86264004       8.96871996       8.04152000       0.14670377       1.99648550      -0.23475550 
Hf       6.96797996       3.68340003      10.61480001       1.94872296      -3.40577201       2.33783111 
Hf       9.08730998       5.84382002       2.78740000      -0.95601667      -3.24691424      -3.27903904 
Hf       3.29650998       7.23669001       5.28872003       3.55920018       1.02391708       1.10441116 
Hf       3.53323004      10.95779997      10.66039997       2.11128677       0.35932303      -1.68602680 
Hf       6.98603998      10.79040000       4.97871001       6.13817730       2.40336891       3.09934292 
Hf       5.30591998       1.90947005       2.79092005       1.49699171      -0.27258638      -2.33723155 
Hf       5.10110999       1.42926995       7.92996995       3.95128067      -1.74949877      -2.15373793 
Hf       1.66270997       8.91027002       2.72238998      -1.84684108       6.95753886       2.70332396 
Hf       3.55683996      10.57830002       5.38995998       0.55440930      -0.00106431       2.29383370 
Hf       3.43196004       3.38643001      10.36589995      -1.21864099       0.64340097       2.74850257 
Hf       7.18344000       0.12729597       0.01682191       0.34398414       1.95820681      -0.68323916 
Hf       9.26451997       1.92968005       2.58576004      -2.13050311      -4.43157051       1.29839331 
Hf       5.19196004       5.26694003       8.00282004       1.25416777       0.46127641      -2.01186983 
Hf       3.62320002       3.48733994       5.44409004       0.23239213      -1.43108067      -1.92770965 
Hf       0.04994411      10.85090003       5.40002995      -4.17235965       1.85701619       0.94704780 
Hf       8.91359002       1.52144996       8.15314004      -0.42187315       0.37284309      -0.99256504 
Hf       5.49126996       9.33036001       2.36608997      -2.03811428      -1.84086086       0.40967509 
Hf       3.76588999       7.42188005      10.42199996      -2.56110251       0.36648822       3.61571807 
Hf       5.52003996       5.64374999       2.43589995       0.85601179       0.13153142      -2.65847433 
Hf       9.13191996       4.85452995       7.89738003       1.17356582       1.60410415       0.41736307 
Hf      11.06140089       7.27647001       4.92212004      -2.08259480      -0.57355179       2.25472533 
Hf       5.74359004       8.92004997       7.71439000      -0.71157229       0.19083310       1.80916117 
Hf       7.24233004       3.41358002       5.40403995       0.73481328      -4.10002814      -0.40052825 
Hf       7.04039994       6.83302994       5.26372995       0.51589427       1.88127874       0.55056934 
Hf      10.70310003      11.02470002      10.74368594       1.27907148      -1.52493045       1.04614042 
Hf       0.01868570       3.51548004       4.77571001       0.11656833      -0.82265345       3.46457168 
Hf      10.83680001       3.72117001       0.46597100       0.36953478       1.79424343      -2.88724561 
Hf       1.63498001       5.12447005       8.10401002      -3.03670347       1.70653688       0.23254727 
Hf       9.23374994       8.82371994       7.55290996      -1.11949241       0.27885858       0.79050716 
Hf       1.59761005       1.72664000       8.26340995       1.83015492      -0.58969789      -1.82759068 
Hf       7.20998997       7.37829999      10.43360000       1.03423378      -0.40776468       0.21633718 
Hf       8.80637996       8.95875998       2.35712999       4.99726296       3.65284932      -0.56068469 
Hf       2.07279003       5.39498000       2.56045002       1.14252555      -0.39861563      -1.32638607 
O       7.23289995       5.13107996       6.27719998      -0.07054188       0.24400860       1.89933807 
O      11.02000001       5.51748995       3.76530000      -1.85278487       0.61354149      -0.28803412 
O       7.02998998       9.19416995       0.51323002       0.62887193      -0.01245827       2.00877192 
O       5.93566004       7.14771001       6.95689997      -1.87855719      -3.45703701       0.39380441 
O       8.75183996       7.34577001       4.17840998       1.34320638      -0.94141426      -1.32752167 
O       5.41342995       7.50663999       9.46800999       1.54947635      -1.06934934      -3.42006733 
O       7.96867995       2.21614998       0.98842503      -0.37802677      -1.54887819      -0.76255908 
O       6.89184995       1.90929001       9.18681000       0.70798132       0.87085096      -0.02913527 
O       8.89543000       7.09057004       1.19281005       0.16459744       3.23413375       1.63983441 
O       3.76191001       8.81928999       6.48158005      -1.13527030      -0.33347565       0.52571189 
O       7.20550996       1.34627995       3.50857999       0.75151410      -0.40177343       0.43836624 
O       7.27073996       9.37548003       3.36125003      -1.44721245       0.00574510       0.41478239 
O       9.04601998      10.84089997       1.31280998      -0.43403870      -1.37690793       0.52096173 
O       3.67315001       9.40459999       9.18667001      -0.65542653      -0.04635258      -0.96437677 
O       7.35357002       9.24801002       8.70249004       2.44783181      -0.35188500       1.44521328 
O       8.97213996       0.47315297       9.93306999      -0.26193857      -0.52615547      -2.16407566 
O       9.52644995      10.87520001       3.67523000       0.94578737       0.26064017       2.53617064 
O       5.33786002      10.55279996       6.84387003      -0.25597584       3.68816748      -0.78116423 
O       2.32017002       3.55223996       7.23261998       0.50340992      -1.23106982       0.13332585 
O       7.00363003       1.37707995       6.33872000       0.89606346      -0.67774874      -0.55121687 
O       8.86343002       3.21613005       6.86075999      -0.48448427      -0.01704015       0.72112535 
O       4.00717997       9.30012998       0.96683697      -0.76687623      -0.64686199       0.41190201 
O       7.39910005       5.25056005       1.46140996       0.40465962       0.40731470      -2.19474849 
O       9.21701999       3.06944001       4.43832999      -2.35234366       0.68111912      -0.89029711 
O       9.63346000       3.71847003       2.02378001       0.01575363       3.67278013      -0.33760024 
O       5.15145002       3.97582998       9.53851001      -0.16892634      -0.27101283       0.65824928 
O       9.29574997       3.09514997       9.39821002       0.52052614       3.40488416       1.65169116 
O       5.51498000       7.13391001       0.95854797       0.90892699       0.66528115       2.56105652 
O       3.69421002       5.54741996       1.08007000      -1.43677289       0.07367140      -0.41833493 
O       3.57839001       9.13096995       4.04542004      -0.04391383      -2.55466233      -3.94079121 
O       1.80121996       7.19604002       4.00215002      -0.10926885      -0.72677133       0.32920160 
O       0.13119103       9.12065000       0.98459303      -2.59880383       1.52645408      -0.91611990 
O      11.04117545       4.95383000       6.46513998       0.55862903      -0.18795327       1.51150018 
O       9.07873999       6.80595996       6.81441003       0.82050021       1.05845387      -0.04604933 
O       9.62655994      10.87210000       7.02821999      -1.58446410      -0.47715393       0.01525823 
O       3.63744999       1.63264998       9.22097004      -1.13258537       2.77183537      -1.57505356 
O       6.96805999       5.39265997       3.75517005       2.82850510      -0.71674546       2.22522606 
O       1.90366996       7.86251003       9.69088999      -2.44893438      -0.80646343      -0.93180774 
O       1.86760998       7.79931003       1.43388997       3.31961600      -7.11500088      -3.47867476 
O       3.39828003       2.21700997       3.49703003      -0.61046812      -0.85916624       0.55122319 
O       0.34152995       1.62941002       5.86058998       0.23360724       1.67590468      -0.52848012 
O       1.71929996      10.39439998       4.63813999       0.02907632       0.06911888      -0.21068281 
O       1.67012005      11.03534573       7.51415002       0.43624738      -3.95813460      -0.49638119 
O       0.06946994       1.80924995       0.98973596      -1.89350235      -0.93175191      -1.55872211 
O      10.91789998       1.61948999       8.50698004      -2.71611550      -0.76641782       0.92858625 
O      10.62410000       9.34835998       9.26227000       0.36451273      -0.49306639      -1.13732136 
O       1.57845995      11.08572384       2.04698999       1.33828497      -3.99925678      -0.51720272 
O       0.23444598       2.27260000       3.25903997       1.39592848      -0.42024790       0.39610857 
O       1.91424997       4.31406002       4.53905995       1.08321488      -0.27532220      -0.53131852 
O       5.38312998       7.41329996       4.03932002       0.14666145      -0.97877551       0.02052173 
O       9.02740000       7.21519001       9.47583994      -2.70839556       1.93260428      -1.03939532 
O       1.87253997       3.69082997       1.33909000      -0.11899807       0.83797491       0.69132195 
O       3.85043005       5.39759995       6.47001996       0.22647386       0.49388782      -0.79082020 
O       5.59172005       3.28035000       6.92131000      -2.42098828       1.84062344       1.23515124 
O       1.37258995       3.63135998       9.75398002       1.92641913       0.00784611      -2.23888611 
O       3.27256997       5.67985004       9.24672995       0.91814592      -0.76494224      -1.84852007 
O       7.52609000       5.02251997       9.35900998      -0.53879043       3.14296263      -2.56288730 
O       5.91992994       3.41667003       1.60421002      -2.74908085       0.51109589       0.38978078 
O       5.54193000       3.04491005       4.32475001      -0.60927053       1.71319520       2.90686229 
O       4.01646998       4.97609998       3.42127002      -3.05657276       0.17188200       2.35395678 
O       0.05231265       8.96284995       6.47376000      -0.82278841      -1.42870660      -0.99808640 
O       5.48330002       0.13199298       9.45371002      -0.47220247      -1.89887560       2.28036586 
O       1.78941001       0.62750394      10.12639995      -1.98607107      -1.43368389       0.67300892 
O       4.02942996       1.76367996       0.75802705      -1.82750967       0.49192782       1.72615650 
O       5.66345996       0.00976008       1.65794995       0.59194250       1.44802643      -0.31788568 
O       5.30945997      10.83560004       4.39179998      -4.33339753       0.52767480      -3.64583088 
O       3.35371999       1.28131001       6.22385999       1.88716668       3.51642885       0.50673022 
O      10.75370002       8.59778002       3.48690999       0.82781250      -0.85372383       0.40900504 
O       1.91387003       7.35120004       6.81504999      -0.70451275      -2.66777927      -0.45612102 
O      11.03044982       5.73918994       1.05874996       0.61236529      -0.60853820       0.85305717 
O      10.81439995       5.77071996       9.28063996       2.19016642      -2.52279001      -2.85045194 
O       7.42640002       8.81169999       6.24170004       0.37410885       2.10063859      -1.71766789 
108
Lattice="11.11056791 0.0 0.0 0.0 11.11056791 0.0 0.0 0.0 10.77895457" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0022837423243468667 -0.002511671720681246 -0.0004558206133574359 -0.002511671720681246 0.012208270889780794 -0.0006503774780334131 -0.0004558206133574359 -0.0006503774780334131 0.03323731239656347" pbc="T T T" energy=-1047.66431835 free_energy=-1047.66431835 config_type=crystal 
Hf       1.56456995       1.52023001       2.10018002       0.62030606       4.05829453       1.55238133 
Hf      10.63350001       7.14755000      10.31859997      -0.61982661      -4.68049369       3.41807542 
Hf       1.73015997       9.30629001       8.32304997       2.20288251       2.97519801      -1.66076519 
Hf       7.37343995       3.91355000      10.44169994      -0.76575333      -3.48459161      -1.36746263 
Hf       9.18117002       5.44393995       2.52074002       0.17127628       0.38866618       1.27538476 
Hf       4.01396998       7.08008996       5.18445004       0.33740722      -0.34570603      -1.21734775 
Hf       3.90764995      10.95076595      10.68230001      -3.23173784      -0.00091798       0.76032479 
Hf       7.01037004      10.69420004       5.51261003       1.30544592       2.01761644      -3.03816353 
Hf       5.25876001       1.42097997       2.58328005       0.37882213       4.57907455       0.03699864 
Hf       5.37814995       1.74605997       8.10523004      -2.98463952       1.13767060      -1.75467991 
Hf       1.96344001       8.64358997       2.87653002       0.74674375       3.44538421      -0.06726881 
Hf       3.69730001      10.90949996       5.65391005      -3.29041851      -1.62729267       1.40047099 
Hf       3.53521005       3.73338003      10.55540002       2.43310110      -1.24899759       0.19718646 
Hf       7.40631001      10.52289997      10.61755654      -4.51985507      -5.12642507      -0.49404785 
Hf       8.92484999       1.78570003       2.33355000       5.77226819       0.35807695      -1.31608556 
Hf       5.32968998       5.34531000       7.99987999      -2.52703052       0.72068224      -0.63494928 
Hf       3.36205996       3.38035995       5.16076997       0.26705606       1.53504430       1.34926589 
Hf       0.00003211      10.93730005       4.94732996       0.83880458       2.62879911      -0.53089980 
Hf       8.87154004       1.41087002       8.15616998       3.58326297       0.34528268      -3.49226021 
Hf       5.33489995       8.99954001       2.36075004      -2.82009833      -1.92706750      -1.83902175 
Hf       3.43655998       7.25007998      10.59834661       3.70978258       2.97197731       3.62620781 
Hf       5.23251996       5.03338003       2.47096000       2.37063784       0.89457417       0.06340567 
Hf       9.02267999       5.49007003       7.30086004      -0.00670235      -0.42557113       3.64059435 
Hf       0.09825586       7.75564005       5.55880000      -0.57880173      -4.47169676      -1.13922484 
Hf       5.56765002       8.98497005       7.95842003      -4.42980095      -2.95810696       2.19896281 
Hf       7.25494997       3.31938005       5.27137002      -0.05109596       1.18055929      -0.87043144 
Hf       7.31866996       7.53149000       5.08112998      -1.41722123      -2.30112432      -1.83149073 
Hf       0.05932277      10.77140005       0.06377735       0.39683941       1.18877661       2.70590709 
Hf      10.89589996       3.74333999       5.42492000       4.25636358      -1.92972665      -0.57810274 
Hf      10.89730000       3.62367995      10.43260003       1.07752595       0.21275447       2.61234563 
Hf       1.57795996       5.77859004       8.08727995       1.08672554      -3.99985836      -1.06014281 
Hf       9.16311001       9.14239002       8.11777998       0.62419440      -1.87831574      -1.04397418 
Hf       1.48026996       2.02972999       7.96042998       0.96180340      -1.05974946      -2.03692504 
Hf       7.12329996       6.87432002      10.52899999      -2.83759226       3.92174318       0.65316172 
Hf       9.24155995       9.15689998       2.48995996      -1.02996028      -1.83864306      -0.23009548 
Hf       1.54697003       5.52515998       2.56166997       0.31821459      -2.24222009       2.73599253 
O       7.56803999       5.33299005       6.07098995       2.00681404       1.58145384      -1.85688415 
O      11.00560004       6.23864999       3.70042998      -0.85635244      -1.26223620      -1.24488523 
O       7.64327998       9.01326000       1.04202999       0.62651416       0.28774269       0.28233372 
O       5.72653003       7.02085997       6.90059995       0.21897494       1.23708873      -1.10867765 
O       8.64146996       7.47007001       3.52853001      -0.22615300      -1.01867692      -0.03816547 
O       5.03583002       7.16243005       9.51292001       1.83963731      -1.11823759      -2.75027354 
O       6.98162000       0.60446400       1.05338002      -1.11918077       5.94802153       4.57718152 
O       7.16239005       1.58430999       8.85872003      -0.86766968       0.85197369       3.06145200 
O       8.83361001       6.90739996       0.81721797       0.72943658      -1.81073406      -0.68864765 
O       3.68178000       8.88839000       6.62838995       0.34832816      -0.05536648      -1.53136150 
O       7.33642999       1.85208001       3.19730999      -3.24545379       0.42423672       2.94939740 
O       6.68904997       9.39607995       3.49056999       4.79280351       0.59665515       4.08285498 
O       9.65160002      10.87888390       1.60320996      -1.55673711       1.97725956       0.49457595 
O       3.43342003       9.20647000       9.19209003      -0.59290785       0.33027204      -0.39426595 
O       7.11017005       8.37037999       9.02388002       3.96431000       1.50762506       0.05858108 
O       8.96252004      10.73360001       9.70169001       6.80344494       0.75438398      -3.22687598 
O       8.79409005      10.67032488       4.65882995       1.65497755       0.27913807      -1.18340833 
O       5.11596999      10.89430004       7.49872995       0.88716600       1.36235582      -1.34000443 
O       1.66705005       3.78884998       6.98104997       0.09890463       0.66111556       1.36238478 
O       6.90692998       1.47145995       6.14766000      -0.03724535       1.32117364       0.21320913 
O       9.16141998       2.95097995       6.42509003      -2.03749310       1.15862688       1.73066223 
O       3.16418997       8.93858999       0.87432800       1.43646303       3.55409131       0.72849746 
O       6.43439997       5.19546999       0.55197399       1.02550033       2.91753718       2.25428890 
O       9.62462000       3.64519001       4.00827002      -2.24935745       0.98776311      -2.46580352 
O       9.10278996       3.68235997       1.22487998      -1.76210320      -1.53040295      -0.45892216 
O       5.46241005       3.94067001       9.51294997      -0.54079041      -3.51521403      -0.00496214 
O       9.24540999       3.80033998       9.26474999      -1.92863252      -1.74814627      -0.11600699 
O       5.59417005       7.46076002       1.16247004       0.50490625      -0.35937313      -0.36640237 
O       3.77107996       5.55158002       0.69269496       0.03889080      -3.96570978       1.11968627 
O       3.87183004       8.72737998       3.68801995      -0.24796277      -0.00789779      -0.44120852 
O       2.02102997       7.32006001       4.47169996      -1.70690531       0.75637629       1.72260344 
O      10.81310001       8.60310995       1.31860999      -0.33144900      -0.28470720      -0.91830227 
O      10.88110002       5.54131997       6.49768004      -0.88481509       1.02494033      -0.40456344 
O       9.02192003       7.92141005       6.18883000       2.45147060      -0.96879413       1.78267246 
O       8.26583999      10.64410005       7.39419005      -0.88777753       2.25845237      -0.85917116 
O       4.06227995       1.64444005       9.65034995       2.48032703      -0.03823786      -4.25315580 
O       7.38769003       4.80672000       3.18527000       0.21858641       0.34634751       0.07709686 
O       1.86213996       7.07933000       9.65384999      -4.88238263      -0.60070050      -2.28683234 
O       2.24167996       7.19213004       1.68037003      -2.63131747      -3.15098961       0.39574755 
O       2.94862995       2.28525005       3.65996999      -0.15645228      -3.57481536      -1.54984963 
O       0.32718700       1.99780999       6.22890001       0.15610535      -2.17975372       0.06961857 
O       2.05005999      10.36970002       4.36503003      -1.10626491       1.15719905       1.16712822 
O       1.95088995      11.06371365       7.06791002       0.55350682      -0.69610035       1.98418151 
O      10.88552591       1.77987998       0.89975997       0.45669514      -0.81538137      -1.76762037 
O      10.82450001       1.53422999       8.82773000      -0.65402983       0.02839948       1.03176456 
O      11.04405083       8.82658002       9.48969998       0.02844010       4.91380866      -1.62459179 
O       1.11736004      10.72360005       1.79966999       0.42414811      -0.97429427      -0.15761014 
O       0.04943214       1.67625005       3.68241005      -0.59471696      -2.21969958      -0.53073526 
O       1.85231999       4.41360999       4.59647995      -3.00109400       0.62558543      -1.41413284 
O       5.78067005       6.94742000       3.78103004       0.32307333       0.09429038       2.67125374 
O       9.31978002       6.95013998       8.71537998       0.16628283       1.78468675       0.55194074 
O       1.32969999       3.66335001       1.76050003       0.71914136       0.41792593      -0.38755940 
O       3.89784999       5.49026002       6.42536004      -1.55006170       0.16527624      -1.70943316 
O       5.96428996       3.90616003       6.68822005      -0.93237248      -3.00932258       0.95494219 
O       1.81426997       3.42158005       9.60124998      -3.30113704      -1.79439461       0.54711505 
O       3.39763000       4.86100001       8.73725997      -0.21130371       2.17579487       0.12703614 
O       7.19534999       5.31889996       8.99135000       2.67593233       1.88474941      -0.78340210 
O       5.47349995       3.29481003       1.34809000      -0.21555992      -2.13687373       0.88100679 
O       5.03135001       3.56622998       3.99209997       2.14945672      -0.54042191       0.54654634 
O       3.68823001       5.81437995       3.36654000      -1.57560549      -0.72642431       0.44915772 
O      10.75899999      10.23889997       6.71240005      -0.93090330      -2.83826679       1.55945033 
O       5.49104998      10.15679998       9.99699003       2.96100679      -0.10101019      -1.17133327 
O       2.03503995       0.33158701      10.23939999      -4.86267494      -1.87295128      -1.70473399 
O       3.34736001       1.99839996       0.90479903      -1.25409772      -1.43075293       3.28620791 
O       4.50200001      10.97390004       1.83433996       0.26878909      -1.84049654      -0.19622086 
O       5.20498997      11.05381702       4.33724005      -0.02749221       2.27895529       1.05096248 
O       3.67143995       1.70554995       6.51435001       0.72632159       1.27387600       0.08126399 
O      10.86389997       8.92189003       4.15139999       0.15709405       3.43117311      -2.46154982 
O       1.00494998       7.74798997       7.34295002       0.60470568      -1.18540887      -0.84239273 
O      10.89030001       5.38161000       0.83572296       0.53185068       1.41722697       0.58086763 
O      11.08540003       5.22134995       9.14228005       1.59472806       2.08062845      -0.86409236 
O       6.78126002       8.99313999       6.38921002      -0.00721095       0.50391565      -1.35295771 
108
Lattice="11.12044033 0.0 0.0 0.0 11.12044033 0.0 0.0 0.0 10.78853234" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.04026867854168604 -0.0022145348982987732 -0.0022883626950999385 -0.0022145348982987732 0.016052616001323194 -0.002067650006243307 -0.0022883626950999385 -0.002067650006243307 0.02960423010436678" pbc="T T T" energy=-1054.5591028 free_energy=-1054.5591028 config_type=crystal 
Hf       1.76078005       1.41825003       2.52264001       1.15273360       0.82033185       1.50037236 
Hf      11.10906568       7.23466001      10.62574536      -2.30496029       1.05184244       2.62677565 
Hf       1.61040001       8.49800997       7.82075004       3.02880155       6.40766380       3.30541302 
Hf       7.05661998       3.57717999       0.29681097       0.72710179       0.88065847       0.51823222 
Hf       9.06517000       5.71147995       2.41391005      -0.68120906      -0.71020898      -1.91280920 
Hf       3.85620996       6.67831005       5.21348996      -2.30763278       4.33633553       0.31395690 
Hf       3.65765995       0.34748396      10.65690005       2.33474009      -1.19119371      -1.80518760 
Hf       7.31734004      10.84800000       5.06084000      -0.33773531       0.77614134       1.95406519 
Hf       5.49633001       1.58340002       2.91217000      -5.26122556       2.84150336      -1.49316639 
Hf       5.62795999       1.77869997       7.60022996      -1.23158058      -1.65737698       1.35002339 
Hf       1.69225000       9.20828996       2.36323998      -0.18994961      -2.81480016       1.48803063 
Hf       3.48590997      10.69629995       5.32562003       0.38034183       1.02344361      -1.41880809 
Hf       3.31649996       3.85088005      10.44950001       3.48144429      -1.51161599      -0.52856076 
Hf       7.23326995      11.03339998      10.62520000       0.51155295      -0.45942773      -2.41423393 
Hf       9.38844999       1.72537001       2.87904996       0.18521224       1.39933416      -1.25148738 
Hf       5.20985001       5.55541002       8.24084999       1.69676102       0.15648591       0.09595836 
Hf       3.43453999       3.54828997       5.47952999       2.36422037      -7.40029493      -1.51930908 
Hf      11.09658699      10.75980000       5.21274005       2.04218890       1.83653260      -0.85138003 
Hf       9.25856002       1.56137999       7.87372001      -3.55482164      -2.59627251       0.04771506 
Hf       5.31695998       9.35983998       2.34553999      -0.51264016      -1.21005390      -0.84562011 
Hf       3.48960997       7.48471000      10.64090001       1.02769922      -3.97211812      -1.89758169 
Hf       5.01398002       5.83180000       2.56471000       4.29109679      -4.87806484      -4.69977940 
Hf       8.94224999       5.58689999       7.89901998      -2.27514026      -2.50496392       1.11837747 
Hf      10.74300002       7.21885997       5.05131005       1.85575901      -0.98596640      -1.11535801 
Hf       5.43368001       9.10770001       7.63793998       0.38050985      -1.56899246       1.29447920 
Hf       7.34367001       3.71014998       4.95036996       0.23322642      -1.06968151       0.97805881 
Hf       7.21123002       6.89527996       5.04195996      -1.09874243      -0.59568052      -0.92294672 
Hf      11.00210005      10.79570001      10.64680005      -1.04575311       1.50754658      -0.08996598 
Hf      11.05839995       3.40479003       5.59722997      -0.61888192      -1.22391883      -0.59819646 
Hf      10.78960000       3.54640995       0.01822507      -2.35786374      -1.60997462       1.20647087 
Hf       1.38468998       5.39967003       8.03998996       5.42954792      -2.22611212      -2.25278720 
Hf       9.23219001       8.86806998       7.87359001      -2.27769027       1.32075257       0.94273405 
Hf       1.62921001       1.39309003       8.16766005       0.26358574       1.31476351      -2.43526396 
Hf       7.47598001       7.31160000      10.61619999      -0.84907055      -1.88037322      -4.19792357 
Hf       9.16817997       9.28399002       2.52408999       1.04751622      -1.42623368      -1.04617988 
Hf       1.71060996       5.19002004       2.66226002      -1.31399274       1.76618940       0.13490181 
O       8.10088003       5.45610004       6.02427999      -2.52087210      -4.40138873      -0.86973970 
O      10.88969998       6.15880000       3.25122995       0.25214381      -1.13567883       0.58788080 
O       6.58870999       8.82179005       0.43823396      -0.57161052       4.70561875       3.36297041 
O       5.50105998       6.92995004       6.70148998      -1.20324181      -0.91533018      -0.75263454 
O       8.69644000       7.32764001       3.72542004       1.72025181       0.81472938       0.62896426 
O       5.28057000       6.71288995      10.07279996      -0.25064214      -0.00785794      -1.60399093 
O       7.23591995       1.60806004       0.74290697      -0.97369586       1.34950268       2.31522721 
O       7.57174001       1.28591000       9.20883002       0.85729505       1.27545238      -3.37798336 
O       9.26218995       7.24115001       0.94549705      -0.67543590       0.74565812       3.01677261 
O       3.91891001       8.76535003       5.90202995      -0.39601273       0.44356908       0.15618304 
O       7.14202996       1.42314002       3.70723003       6.31503010       0.28608016      -0.48442878 
O       7.27209997       9.50545003       3.16568002      -1.57909256       0.56184126       1.26127823 
O       8.85786998      10.92010004       1.53824998       0.47202670       0.63265988      -0.36681716 
O       3.72439004       8.58093999       8.72862996      -1.51236945      -0.42595393      -1.19962108 
O       6.96078002       8.59852997       8.81643006       1.43173016       0.70111696      -1.79742588 
O       9.26616996      10.38670000       9.72039999      -0.55709481      -0.47357570      -0.43556904 
O       9.49994997      11.00830003       4.16165995      -3.79115770       0.37466564      -0.93092575 
O       5.63858001      10.85709996       6.79699999       0.88678478       0.28021325      -1.99857285 
O       1.58087001       3.46320003       7.24286004      -0.81500856      -0.99588160      -2.32783181 
O       7.54156003       1.93184000       6.01562004      -0.92893390      -0.84863730       2.17776365 
O       9.50798004       3.30977999       7.22128999       1.04251586       3.07154829      -0.93358392 
O       3.20602995       9.17711002       0.45035898       0.27168787       5.00345393       1.27819045 
O       7.17509003       5.85827999       1.10170000       0.45597386      -1.64392460       0.41014915 
O       9.26323005       3.41728996       4.31885005      -0.67184933      -0.45023188       0.39810651 
O       9.22360002       3.61486004       1.82864005      -0.12727018      -0.41446763      -0.59787690 
O       5.48868004       3.81872996      10.04140004      -1.21670318       1.01167842      -0.56398273 
O       8.85552001       3.89345999       9.83780005       1.89078019       0.27558827       1.00878276 
O       4.74478997       7.34888005       1.44619996      -0.33704093       2.47853386       2.09691856 
O       3.18509995       5.31454995       1.09867004      -0.29788659      -0.29262510       0.95870904 
O       3.47779005       9.43245001       3.17789997       2.76042177       0.03216195       0.36753109 
O       1.93152996       7.19137002       4.18877002       1.05535826      -1.42250153       0.89699862 
O      10.92359997       9.11640999       0.87855399      -0.02545256      -0.07548883       0.18496733 
O      10.91730002       5.35440995       5.71360996       0.09650181      -0.21571603       0.78221605 
O       9.21527003       7.13683005       6.70513995       2.95311185       3.36444095       0.23481507 
O       8.44104997      10.73940000       6.91585002       1.58388093      -0.34636404      -0.00391641 
O       4.02802999       2.13439004       9.18540002      -2.76979063      -1.57931109       0.14615497 
O       7.19816995       5.27394000       3.48745997      -0.38429480      -0.48105794       1.62858755 
O       1.61691002       6.89378003       9.55264997       2.44361654      -0.36100078      -0.86889211 
O       1.57773004       7.40070998       1.61882996       0.03944231      -2.64748342      -2.08184170 
O       3.41485003       1.42566002       3.77675004      -1.25437816       0.24198030      -0.89878704 
O      11.01888435       1.25071003       6.50228998       0.55922809       0.36667938       1.36321207 
O       1.59810002      10.56469999       4.04469004       0.55620230       2.15057525       1.85296872 
O       2.02084000      10.62060000       6.90633001      -0.67578347      -0.14140109       0.14927070 
O      10.80149999       1.58362999       1.07440005      -0.41431073      -0.65496396       0.38101412 
O      10.62670001       1.48665997       9.28538005       3.02015679       0.22829992      -0.30590689 
O       0.14818398       8.67942005       9.19230997       0.34153144       3.13508522      -2.90370404 
O       1.62954996      10.86280631       1.37994995      -0.17310441       3.50262326      -1.32297274 
O      11.11449590       1.93918005       3.98206002       1.17817002      -1.50819534      -1.55622060 
O       1.79228003       3.80305003       4.50229998      -2.91612397       0.49993704      -1.46175638 
O       5.35979002       7.23352995       3.86338001       0.64256387       0.73510131       2.31463649 
O       9.30906005       7.44740003       9.40906000      -1.74790289      -0.96326022      -1.18956243 
O       1.45006005       3.20036998       1.71520003       0.18850895       2.91136439       0.02780358 
O       3.48728001       5.11280004       6.33230996      -0.46806623       5.39696962       3.29244432 
O       5.33021999       3.73449997       7.37910000       1.01704953      -1.23113971      -0.85718198 
O       1.59514999       3.46232997       9.54365999      -2.32750500       0.18641812       2.08860105 
O       3.41230000       5.31106003       8.86711998      -3.35728919      -1.29830520       2.34800593 
O       7.06883000       5.79547997       8.64654002       4.23328851      -0.02765050       0.64996127 
O       5.79528003       3.81966997       1.85814000      -0.86350739      -1.23498532       1.45982061 
O       5.37016005       3.05319996       4.80488002       0.49532032       0.66520125      -1.25446890 
O       3.79809999       4.98729997       3.89073002      -0.69831408       1.37832567      -0.99773010 
O      10.82670001       9.24973995       6.32732997      -0.39198732      -2.98070210       1.80650219 
O       5.45615998      11.10301338       9.22370999      -1.18455088      -0.69049456       2.42651567 
O       1.94252997       0.04215970       9.51804996      -1.31359595       0.24987055       1.14014266 
O       3.69566005       1.77340998       1.15132002      -2.99107357       2.76858899      -0.56635279 
O       5.05422000       0.11782696       1.48276003       2.57193116      -3.75392616       0.16735596 
O       5.38248995       0.05204021       4.27626998      -0.12608817      -2.55543491       0.21732230 
O       3.80860002       1.39997003       6.40894997      -0.70768033       1.37143232       0.87723756 
O      10.94932633       9.18042002       3.41431998      -0.68493929      -1.62650528       1.60745952 
O       1.33711997       7.12925002       6.68986005      -0.26354880      -3.42021709      -1.07070142 
O      10.91330000       5.37145002       0.90705503       1.25805336      -1.15398043      -1.47242511 
O      10.81280002       5.72572001       8.52383999      -2.27279298      -0.71349876       2.42588523 
O       7.33751996       8.46566995       5.94438002      -0.36770874       5.94597188       0.97905823 
108
Lattice="11.13374518 0.0 0.0 0.0 11.13374518 0.0 0.0 0.0 10.80144008" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.007182160780909581 -0.00582450096253458 -0.002622702369668731 -0.00582450096253458 0.056209165918943864 0.006377724070706899 -0.002622702369668731 0.006377724070706899 0.038714251009997015" pbc="T T T" energy=-1055.26598485 free_energy=-1055.26598485 config_type=crystal 
Hf       1.72030002       2.01427999       2.48743998      -4.05815014      -2.41335586       1.27458411 
Hf      11.13220327       7.23452001      10.42969999      -6.45703950       0.02852669      -1.99464201 
Hf       1.62937005       8.78080004       7.62243995       1.32774462       1.18904609       0.50470250 
Hf       7.07318002       3.33757003       0.43738595       3.16479032       1.26172257      -1.73907158 
Hf       8.90543998       5.23176000       2.99711004       1.21599123       1.34466854      -1.80885667 
Hf       3.74956002       7.05839998       5.07648004      -0.32649154       3.36038301      -1.17950706 
Hf       3.24885000      10.61079996      10.16610002       1.10746428      -0.75315783      -1.89670330 
Hf       7.34049000      10.93460000       5.12610995      -0.23335454       0.47816188       1.54195814 
Hf       4.95609003       1.79793997       2.33614000       4.17318020      -2.23687279       3.51880857 
Hf       5.40657995       1.55235003       8.18810996      -0.00890940      -1.56757293      -1.93091050 
Hf       1.93638998       9.33850003       2.22761998       1.20576236      -2.28205131      -0.53724999 
Hf       3.75057998      11.06240003       4.99665999      -0.88793710      -1.54490245       2.69903179 
Hf       3.64337003       3.43223002      10.42740004      -3.98259148       0.47749287      -1.41150764 
Hf       7.12225000      11.12367827       0.04340969       0.32522338       0.69792992       1.16268659 
Hf       9.32419005       1.48681002       2.90157000      -1.82722239      -1.08017661      -1.86301830 
Hf       5.61044005       5.29442996       8.22272998      -0.68260538       0.04619755      -0.12763772 
Hf       3.76639001       3.64359003       5.23833000      -0.61935406      -1.59153375       2.33058394 
Hf      10.96179996      10.65570002       5.19972004      -6.17946740      -0.24761833      -0.39071060 
Hf       9.12738006       1.89306000       7.56118995      -0.66612564      -1.71407012       2.05054846 
Hf       5.56405998       9.31174998       2.63487996      -1.12074094      -0.22416751       3.00523473 
Hf       3.86971005       7.16666997       0.03225990      -5.39040232       1.16784012      -3.58022566 
Hf       5.16142000       5.23588995       2.37798002       2.62259005       2.35253114       3.72945064 
Hf       8.98631996       5.33938000       8.17026998       0.97442324      -0.61336458       0.68194097 
Hf      10.88259995       7.21382995       5.49244997      -3.13755806      -0.08795863      -1.31231430 
Hf       5.72811004       8.87688003       7.64899000      -0.31720651       3.42436365      -0.39539787 
Hf       7.22790000       3.78462998       5.34600005      -2.10420586      -3.61192470       0.61853896 
Hf       7.70410999       7.16399999       5.51831003      -2.19033264       1.84572525      -2.62865425 
Hf      10.63829998       0.25364798      10.58818304       4.06962109      -0.60444637       2.15179947 
Hf      11.03380000       3.34939997       5.30402998      -0.12618921       1.75837317       1.38806353 
Hf      10.74310003       3.83618000      10.78834960      -0.58716051      -2.44290353       1.22259572 
Hf       1.70392996       4.90441998       7.93614002       1.50453288       2.19041315      -3.11434587 
Hf       9.13646998       9.72302997       8.39841000      -0.44048599      -1.63590005      -1.98840921 
Hf       1.49683005       1.56176005       7.83858001       0.86702888      -0.49620543      -3.43982448 
Hf       7.12113997       7.51332002      10.67860005       3.16338542      -0.40215260      -1.76098656 
Hf       9.12142996       8.95658006       2.18606004       1.83581133       0.85778234       3.14335397 
Hf       1.60684003       5.49859000       2.50422996      -0.97521885       0.71309192      -0.88081785 
O       7.25643000       5.19176001       7.04050999      -0.13653082      -0.75357221      -0.63794476 
O      10.71847519       5.37613005       4.66004002      -0.75110328       0.25769985      -1.82022693 
O       7.19516000       9.35749998       1.33698000       0.10265449      -2.42515872       0.68275359 
O       5.82711999       7.16855001       6.43938997      -1.92709792       0.33521344      -0.15652565 
O       8.76424995       7.38232004       3.69974998       0.11849564      -2.20966141      -0.49217916 
O       5.63711995       7.34915005       9.18424998      -1.88124232      -0.29326530      -0.19526604 
O       6.95235996       1.84274995       1.79966001       1.35071730       0.69806068      -0.67819178 
O       6.90379000       1.58853003       9.65128006      -1.14872711       1.47674023       2.64987765 
O       9.07611996       7.37103999       1.00955001      -1.05542006      -0.19741032      -1.58610290 
O       3.31322999       9.04113996       6.56000004       1.65190468      -1.71848045       0.41278848 
O       7.53154006       1.92004998       4.72808002       0.11530033      -2.36675957      -1.83367554 
O       6.80804001       8.88645004       4.19848001       0.87455711       1.41781713       0.91721217 
O       9.19865996      11.03343615       1.25954999      -1.20324252       0.81411420      -1.50276807 
O       2.76949996       8.36284003       9.34688003       1.57817828       2.08491181      -0.40012707 
O       7.15909000       9.52192002       9.72241996       1.31469212      -2.08379071      -1.44652675 
O       9.06725004       0.36317998       9.46581998      -1.65943844      -1.39826748      -2.46964270 
O       8.87033005      10.62019996       3.62558005      -0.94386556       1.99833970       1.04556959 
O       5.56862003      10.56149996       6.29308004      -0.71559389      -0.51819780      -1.24087172 
O       1.84614997       3.40982002       6.04626001      -0.94120962      -0.33457635       0.83631907 
O       7.11515001       1.44760999       7.18239004       0.50923261       0.41234500       0.46023078 
O       9.05468004       3.23980996       6.21093001      -0.50980231       2.29748611      -0.50725923 
O       3.87220000       9.12391000       1.19971001      -0.67825836      -1.32647485      -1.80471899 
O       7.08877005       5.09476995       1.78990005       1.65423346      -1.63941943      -0.32982934 
O       9.31516002       3.35912997       3.71885999       0.04237072       1.28273386      -0.17238423 
O       9.12692001       3.35883003       1.11330000      -0.91968757       0.18103249      -0.14021137 
O       5.05556002       3.46799005       8.84771999      -0.68714381       0.42040898       1.75510611 
O       9.13517000       3.32768004       9.04003996      -0.42241957       0.66617018      -0.21118181 
O       5.49430996       6.74072004       0.84159604       4.15988866       1.67281085       0.65730083 
O       3.68601005       5.50840996       1.16912001      -4.63145450      -0.94177816       1.41275289 
O       3.83163999       8.82556003       3.95737999       0.74673483       2.88598907       0.72145797 
O       2.02509999       7.52316002       3.18305996      -1.08001462      -3.31441399      -1.14284342 
O       0.04015485       9.29227004       1.95704002      -1.83925463       0.08695027      -0.53955362 
O      11.00819116       4.50449998       7.10580999      -0.22781510       0.96549019       1.23772707 
O       9.28367000       6.81541000       6.62566005      -0.53445704      -0.74110744       0.30654712 
O       9.07511002       0.05275480       6.37422996      -0.05569187      -1.07345450       0.35395147 
O       3.80585001       1.41905004       9.94762999      -0.31616855       1.05861705      -0.71373114 
O       7.30877998       5.48748999       4.23829995       1.30230752      -0.91292127       2.24066136 
O       0.56898504       7.06599998       8.46970005       1.27158022      -0.57140940      -0.29266000 
O       1.55524002       7.42882001       0.41156403       5.58268364      -0.38887474       3.66207155 
O       3.25656001       2.14657004       3.96606002       1.02089603      -2.16004739       0.09814518 
O      10.90999999       1.46146004       6.54844995       2.39871901       1.24734374      -0.77523809 
O       2.54432999      10.98229518       3.01478000       0.32766857       2.23033939       1.36398863 
O       1.52492005      10.57599999       5.70735002       4.91689508       0.18466116       0.21016661 
O       0.06165478       1.62082001       1.14489000      -0.59298716       1.79590050       0.39780768 
O       0.01536858       1.70151995       9.07284998      -1.59422464      -0.62232830       2.54984762 
O      10.39670004       9.14594001       9.95298005      -0.07113402       1.20429546      -0.66334992 
O       1.68517996      11.02970000       0.33416404      -0.72771377      -1.29393869       1.03533072 
O      11.07629995       1.06721000       3.60290005       0.56223337      -0.19195526       2.05498012 
O       0.93486896       3.50882997       3.56178999       1.78259399       1.41407398      -2.35503598 
O       5.35081002       7.04290002       3.46810003      -1.65159406      -2.19732658      -0.50094226 
O       8.27942000       7.07636004       8.94038998       0.32648159       1.02498601       1.35593710 
O       1.55644001       4.00982000       0.63728399       0.77346765      -0.48906742       0.91539270 
O       3.52040004       5.12342999       6.81624001       0.43435136       1.91929749       0.67050822 
O       5.31136995       3.34598002       6.41360996       2.52727288       0.40608644      -0.25629877 
O       1.93241000       3.25093001       8.82996005       1.03985513      -0.57806707       1.33031438 
O       3.19782995       5.36243999       9.47572004       1.32585435       0.80966271       0.54434030 
O       6.98915999       5.03968998       9.82997001      -0.93288766      -0.11214577      -0.63742526 
O       5.08824001       3.46088995       0.96046405       2.88291857       0.54167285       0.57962840 
O       5.46086998       3.64345999       3.81814996      -0.43443389      -0.16820539      -1.46834915 
O       3.32944997       5.26964001       4.22121002      -0.66721392       0.95604036      -2.78604893 
O      10.78217213       9.27091997       6.97781001      -0.02663989      -0.18338992       1.49044599 
O       5.15006002      10.70720005       8.81283998      -1.00430394      -0.96352111       0.58775592 
O       1.79868003      10.86820001       8.50810997       0.79993663      -2.05571755       0.67266953 
O       3.32904002       2.21449000       1.57112001      -1.40283874       0.77558226      -4.08420557 
O       5.45330995       0.00393834       1.19762998      -1.49944867       0.36389356      -0.08627693 
O       5.69260998       0.08744065       3.81440003      -2.85032318       0.46112316      -1.27887477 
O       3.37093998       1.26372005       6.66320003       1.24236629      -0.44986041      -0.31509576 
O      10.42749999       8.76825999       4.46643998       1.61416913       2.22616753      -0.22082798 
O       1.53623995       7.09631004       5.71552996       5.55876674       0.33103332       2.34859812 
O      10.89980003       5.49026997       1.57169000       0.08448504      -0.04485968       1.18487985 
O      10.20590005       5.38553005       9.80541002       1.51090884       1.62125710       0.39545362 
O       7.67281003       9.18609999       7.05419001      -1.02278870      -1.45083791      -0.43921750 
108
Lattice="11.1458265 0.0 0.0 0.0 11.1458265 0.0 0.0 0.0 10.81316081" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.05853085738648172 -0.0026321476017383666 0.0023182846708531876 -0.0026321476017383666 0.0598865196910006 -0.006851625705609598 0.0023182846708531876 -0.006851625705609598 0.05692426634865049" pbc="T T T" energy=-1059.54554186 free_energy=-1059.54554186 config_type=crystal 
Hf       1.46773995       1.81608002       2.60755004      -0.37384772      -2.90233781      -1.80086078 
Hf      10.86750005       7.45331003      10.80038052       0.97402584       0.94242181      -1.33536935 
Hf       1.78309004       9.17749004       7.67205005       0.76868296       0.04978751      -1.32350166 
Hf       7.33523995       3.56655001      10.65290577      -3.25610059      -1.95867686       3.50318358 
Hf       9.18060006       5.41056002       2.70987001      -3.25349756      -1.72089793       0.92840176 
Hf       3.78306995       7.25318003       5.22611005      -3.23897364       0.83021008      -1.46117170 
Hf       3.45968004       0.10168404      10.71519995       0.77981085      -1.30823856      -0.98489329 
Hf       6.96526004      10.57679996       5.00315003       4.67376131       3.14639195      -3.28368309 
Hf       5.22489998       1.40702997       2.49688999       3.83196586       1.66198166       0.36458996 
Hf       5.41167003       1.53248003       7.67441997       0.05409284       1.00291288       1.97048202 
Hf       1.72704002       9.11752003       2.18142003      -0.55033039      -1.65962965       1.64125164 
Hf       3.47345996      10.92410001       4.79542002      -2.61565073      -3.28034196       2.58029144 
Hf       3.41818000       3.70594005       0.20596000       1.39021096      -1.41603472      -2.20910432 
Hf       7.28101005      10.95809255      10.79348313      -0.52229448       3.47660388       1.03369565 
Hf       9.17429999       1.56965003       2.41587001      -1.57598305      -1.04228990       1.66382788 
Hf       5.16266001       5.04071999       7.81755000       1.34983076      -0.52702770      -0.13268446 
Hf       3.40905001       3.66699999       5.05193003       4.01502730       1.28563358      -2.76149363 
Hf      10.82080004      10.81549998       5.42180999      -1.63343255       0.26050335      -0.42797232 
Hf       9.20214995       1.84517999       7.97704996      -1.98842659      -2.26651674      -1.19482006 
Hf       5.39987998       8.77145003       2.47442998      -0.37672788       2.26841830       0.94280278 
Hf       4.01265001       7.29919000      10.33869997      -0.87942490       0.41501982       1.59047832 
Hf       5.51210998       5.45145005       2.56609995      -1.64254093      -5.28709133      -1.34388290 
Hf       9.25555997       5.27782003       8.22799996      -0.66692669       2.16213510      -1.74620771 
Hf      10.88409998       7.06041998       5.11345000       1.71064634       1.73808342      -0.86565566 
Hf       5.53353003       9.17902002       7.87722999      -1.56845308       2.53259332       0.46189123 
Hf       7.21331999       3.69995998       5.29159001      -0.81305034      -6.37669859       0.26497265 
Hf       7.36502004       6.86149005       5.70436999       0.13607032       1.28272330      -2.12563372 
Hf      10.99367449      11.13904348      10.46270000      -0.63888037      -0.87457316      -0.43891012 
Hf      11.04890005       3.37548001       5.22232004      -2.31235907      -1.07324429       0.49682143 
Hf      10.58100004       3.51583996      10.73159995       3.17824870      -0.63942398       2.15481884 
Hf       1.70449001       5.56496003       8.25812996      -0.68447961       0.56134787      -1.22308520 
Hf       9.05035996       9.18530003       7.79114004       1.21049460       2.89886726       2.90201717 
Hf       2.00463998       1.74349995       7.98648001      -0.50669318      -0.92562086       1.47512976 
Hf       7.43825002       7.43940996      10.35009996       1.11815731       0.22837448       0.14439433 
Hf       9.01589004       9.09227997       2.37926995       0.73727394       1.20327343       2.01388829 
Hf       1.49181995       5.42755005       2.52181001       1.43942723       2.27151391      -0.17769762 
O       7.17633000       5.11225000       7.06324996       0.59863685       0.99847440      -0.45941594 
O      11.02660004       5.12161004       3.91954004      -0.21402024      -0.66063052       3.09861307 
O       7.27808003       9.21285998       1.35454995      -0.77341856      -0.71173615       0.33192634 
O       5.39996000       6.84839995       6.26265002       1.41048061       1.24151673       0.76191874 
O       9.13097003       7.09485000       3.83161001       1.27198714      -0.37766931      -1.87005662 
O       5.76943000       7.31133004       9.17786001      -0.36433266       0.38057860      -1.17498687 
O       7.29425998       1.90578999       1.73943003      -3.38622814      -3.38531268       1.75662030 
O       7.67733000       1.72320998      10.17359998      -1.33354338      -1.54066895      -1.61304618 
O       9.04283998       7.27644003       0.89334204      -0.98737922      -0.86916590       0.85469888 
O       3.77379005       9.40441996       6.47230996       1.77370847      -1.17019595       2.12522536 
O       6.70189999       1.62613005       4.53165999       0.10120630      -1.00954850       0.08202495 
O       7.18875002       8.76557005       4.08020004      -0.63078262      -0.15272167      -0.07225521 
O       9.24830003      10.77151253       0.94146104      -0.66236108       1.10447670       0.50826196 
O       3.81481995       8.91232001       9.27465002      -0.10110761       0.65723401      -0.95101337 
O       7.42852004       9.46723995       9.61460001      -0.27628919      -3.39053574      -2.93979853 
O       9.27424997       0.18528699       9.08238001       0.95749739      -0.70726854      -0.80381719 
O       8.85985003      10.94600000       3.67551998       0.06443974      -0.32592621      -1.44977511 
O       5.42298996       0.15347346       9.20374996       1.24199880      -2.68101043      -1.05990876 
O       1.99567996       2.73125001       5.95794996      -2.98099450       1.30527791       1.00905721 
O       7.24762997       2.14906002       7.25943995       2.47443905       0.30763226       0.08187045 
O       9.32668996       3.67094004       6.30387001       0.74966108       0.07919548       0.55111288 
O       3.57494995       8.94287997       1.53805004       0.17691367       0.03255904      -1.95742381 
O       7.21576004       4.99418995       1.73735995       2.09639214       1.33416305      -0.39483746 
O       8.82961999       3.19879001       3.63119002       0.78213109       1.99671118       1.21523422 
O       8.98122998       3.01558996       1.09369996       2.97114342       4.21410534      -3.46474384 
O       5.31582005       3.38513998       8.90680002       0.92011609       0.54823452       0.34707701 
O       9.13128000       3.41602005       9.34202001       0.87189727       1.36527520      -2.22259822 
O       5.40927000       7.34865006       0.99167995       1.46479441      -1.67909943      -1.28661986 
O       3.58185000       5.05976999       1.56785998       1.69375625       2.89189461       0.72441150 
O       3.74835003       8.89335996       3.96614001      -0.73676702       0.97056429       0.56804441 
O       1.29968997       7.33663998       3.51298996      -1.13942574       0.23132682      -0.18404351 
O      10.91850001       8.92731995       1.53772003      -0.64621804      -0.19549588       1.21369812 
O       0.07417470       5.52251004       6.93325998       1.66178293      -1.02293623       0.26483043 
O       9.19269005       6.75079996       6.34929999       0.77884742       0.36193527       1.34891508 
O       8.80867999      10.98939995       6.35750999       1.01789562      -1.32502344       0.26549401 
O       3.68549002       1.61611999       9.55392996      -2.95010117       1.93149206      -0.58965524 
O       7.52292999       5.34379006       4.37608996      -0.80600386       1.45249185      -0.74460393 
O       1.34969004       7.40771001       9.02953004       1.00513653       0.01778340      -0.62165171 
O       1.54587999       7.28631000       0.94722499       0.57573400      -0.76090658      -0.54986072 
O       3.88139999       1.49742998       4.12348999      -0.94564629       2.98270106      -0.72195898 
O      10.89760003       1.51471002       6.83884995       0.67534745       0.99901930      -0.43331900 
O       1.59347000      11.04890005       3.56138004       1.56129977      -0.37264002      -1.14250189 
O       1.57233996      10.78490001       5.97513002       0.72885569      -0.56594920       1.62144932 
O      11.04729996       1.60301996       1.08066999       0.50588054       0.80015716       2.59372159 
O       0.32446303       1.83935997       9.55571002      -0.96525557       0.62523341      -0.73455135 
O      10.25109996       9.12876996       9.90581000       1.95765728       1.07043317      -0.18367276 
O       1.60054002      10.68513750       0.81045895       0.25750692       0.10898354      -0.02968239 
O      10.92040004       1.71922000       3.88479995       1.20802198       1.06092874       0.98555443 
O       2.09526001       3.53795004       3.21835998      -0.66595808      -2.07103446       2.82738403 
O       5.33512997       7.06749001       3.55357997      -0.34923451       0.07543305       1.58894696 
O       9.07407003       7.43590003       8.84639997      -1.89050316      -3.01013398       0.57653052 
O       1.56955997       4.10021999       1.03195000      -0.81265381      -3.16614001      -3.77253714 
O       3.44541004       5.75885005       6.70527000      -2.60962180      -2.52496088       1.72881279 
O       5.20249999       3.54432000       6.45252999      -1.88727324       0.18415466      -1.64771948 
O       2.00901996       3.73022001       9.04570999       0.04359042      -0.14126952      -1.33407908 
O       3.85037001       5.49343002       9.40626997      -1.41581033       1.01212065       1.12873947 
O       7.53721002       5.33691999       9.68590999       1.03645888       1.84375588      -0.01809324 
O       5.39302006       3.45846002       0.86153405      -0.89903844      -0.31318894      -0.49577316 
O       5.36266997       3.67532002       3.88720999      -0.61947903       2.27512884      -0.99493969 
O       3.02856003       5.44528005       3.97403999       1.65147259       1.19890633       3.36595777 
O      10.96050005       9.30894001       7.29841999      -0.30233696       0.62395906      -0.85427052 
O       5.27872005      10.89836352       0.96738505       0.45817427       1.24331837       0.01065553 
O       1.84284003      10.90730002       9.16221001      -0.53321013      -0.20636852      -1.99378428 
O       3.33878995       1.58013000       1.40034996      -0.64881691       0.89449157       0.43205193 
O       5.33201995      10.72940003       3.49351005       0.31785751      -0.29026687       0.71933003 
O       6.07318999      10.97059995       6.57688004      -2.92892938      -0.95902508       3.18538455 
O       3.58317000       1.05010995       6.87574997       0.24421862       0.17083546       0.00336272 
O      10.38490003       9.03719005       4.61380995       1.01954218      -0.15649064       0.43718257 
O       1.70731001       7.91429997       6.03829997       0.09080155      -1.28793377       0.85864520 
O      10.69180003       5.06663002       1.57767995      -0.27855041       0.65515895      -1.82327005 
O      10.78130002       5.42341004       9.65963996      -0.06465342      -0.44611096      -0.09030463 
O       7.30062001       8.73328995       6.84461996      -0.88099120      -0.73042980       0.21151421 
108
Lattice="11.15864734 0.0 0.0 0.0 11.15864734 0.0 0.0 0.0 10.82559899" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.01792476640038611 -0.004454902497850754 0.011315186693304669 -0.004454902497850754 0.035902649085765515 -0.005560490668969822 0.011315186693304669 -0.005560490668969822 0.034189867408406016" pbc="T T T" energy=-1051.64983874 free_energy=-1051.64983874 config_type=crystal 
Hf       1.52431999       1.74858001       2.22494996       2.26923791      -1.60568899       0.60647698 
Hf      10.90020001       7.08115999      10.64250000      -4.78347393       3.37311184      -1.63055270 
Hf       1.82936003       9.32306001       8.06787995      -1.57367807      -3.26945215      -0.32145607 
Hf       7.23112998       3.51907003      10.63240005       1.12493682      -2.77843985       1.07318556 
Hf       9.23554006       5.63363995       2.47004997      -1.65458262      -2.84712728       1.03056608 
Hf       3.79270997       7.26589006       5.15868003       0.21313959       1.79916686      -2.36629348 
Hf       3.74408995      10.84360001      10.54379999      -1.16874403       3.55170947       0.57938828 
Hf       6.96292999      10.99290003       5.32622999      -0.98544286      -1.62199793      -0.13942505 
Hf       5.30630002       1.63207001       2.70143004       0.20299353       0.35322460       0.11146833 
Hf       5.21157996       1.80623005       7.95928003       9.15517666      -0.32833799      -4.25027516 
Hf       1.48192003       9.14315003       2.70828005      -0.84520283       3.18366529       2.23468449 
Hf       3.19943995      11.11188837       5.33509995       2.61716655      -0.57176757      -2.97910663 
Hf       3.72063995       3.46328003      10.54139995       0.30029750       0.38840932       1.33615769 
Hf       7.39989001      10.83719996      10.31210002      -0.32962522       1.72034741       1.23374208 
Hf       9.27541002       1.83487006       2.18182002      -2.38792027      -1.15940627      -0.55636567 
Hf       5.90303000       5.32227999       7.89085001      -2.34066813      -1.04714404       1.00333053 
Hf       3.70199998       3.88096003       5.39255996      -1.43422845      -1.77364709      -3.25098595 
Hf      10.55529995      10.92139999       5.17440995      -0.67322234      -0.82035817      -2.10455038 
Hf       9.13704000       1.60879999       7.89923996       0.89317459      -2.63435554       2.79605258 
Hf       5.54863996       9.25121997       2.18353999      -3.20423110      -0.25275925       2.64435340 
Hf       3.03433002       7.45042998       0.13290599       4.93174617      -1.01661052       0.95104358 
Hf       5.50594005       5.34300003       2.46511999      -0.25619914       0.02463162       2.10532044 
Hf       9.12594998       5.09676997       8.06120997       3.03817968       0.97156346      -2.68923412 
Hf      11.07714603       7.57561996       5.39645003      -0.14382650      -1.59521296       0.15138917 
Hf       5.43624995       8.54263001       7.62230003      -0.84412087       5.24871513       2.28044296 
Hf       7.39765003       3.34062005       5.08402995      -0.76689274       2.08056228      -2.57146620 
Hf       7.48545006       7.25130001       5.21283996       0.46304754      -2.33422437      -1.58805015 
Hf      10.84919997      10.70469995       0.00135905       2.81497740      -1.17251165       2.03880441 
Hf      10.71489996       3.51703000       5.26247999       3.08529388       1.38274043       1.26154936 
Hf       0.01393470       3.61860996      10.42140003      -3.77088846      -0.63543455       2.71676904 
Hf       1.84499006       5.21426997       7.78701996      -1.77037742       2.01735013      -2.33476215 
Hf       9.15921000       8.99201999       7.75842003      -1.20522828      -1.25895479       4.21560350 
Hf       1.75096004       1.74220999       8.17313000      -2.28260597      -0.92758087      -1.56399770 
Hf       7.05534000       7.13668999       0.04175704       0.85449014       0.21852348      -1.30999201 
Hf       8.94840998       9.23105997       2.80734001       4.36488668      -0.66530706      -1.55179676 
Hf       1.77034004       5.38507003       2.73382002       1.12918710      -3.10725111       0.04904870 
O       7.50994998       5.39735001       6.18579002       0.31408838      -0.76844634       1.70896980 
O      10.97230005       5.02915995       3.28263999       1.09135133      -0.10947978       1.59720665 
O       6.84855999       9.08293998       0.71308405       1.34751799       2.28881889      -0.31882306 
O       5.24811995       6.87103005       6.83021996       0.44773153      -1.33399894      -1.65831490 
O       9.23000001       7.23206998       4.14645005      -0.48727702      -0.89020205       1.80185614 
O       5.49469002       6.86025995       9.51687999       0.52832797       0.92121058      -1.02337402 
O       7.62334996       1.48932000       0.70739097      -0.32807276       0.60500617      -1.21889864 
O       7.21802995       2.04581000       8.57956996       2.61789382      -1.24983382      -0.26715935 
O       8.58325999       7.36690003       1.95476001      -0.47183517       0.09993799      -3.61036984 
O       3.42492999       8.58189004       6.71054004       0.86395497      -0.07232178      -0.21005111 
O       7.23190004       1.89201003       3.26690001      -0.67835972       0.03193173       0.61454966 
O       7.28936997       9.13404000       3.68966000      -5.55146538      -0.91446909       0.36816610 
O       9.33726999      10.80219997       1.57613999      -0.78797927      -0.20512040      -0.88551245 
O       3.43548997       9.00719006       9.14944996       0.31974350      -0.11118361       2.21169582 
O       7.34364998       9.36944996       9.08576999      -0.75334334      -0.54358044      -2.58785254 
O       9.39393996       0.06905574       9.79310002      -3.00472054       0.81889360      -2.22819962 
O       8.87305999      10.60600004       4.31427000      -2.74879079       2.20765026       0.26437579 
O       5.59140000       0.29921299       9.37366002      -1.19876148      -1.55161438       1.58763437 
O       1.46828997       3.38065002       6.55505001       1.06526728       0.01615668       1.55180297 
O       6.74787005       1.76749001       5.94519000       0.98026818      -1.60235569       1.01832141 
O       9.24591001       3.24020996       6.89072997      -0.56186700       3.61175285      -2.21321968 
O       3.78821002       9.40300000       0.91087196      -0.17205334      -6.02485222      -0.44810907 
O       6.91927000       5.25067997       1.01931004       1.02438738       0.45558375      -2.40963453 
O       9.25040996       2.84857001       4.13503001      -0.09382329       0.82900590       1.05702188 
O       8.89798004       3.66286995       1.51190998       0.22119590       1.55072079       0.62788520 
O       5.56786999       3.44440997       9.25708997      -1.56547573       2.08399300       0.83933460 
O       9.12028998       3.49876999       9.83804000       0.46329599       0.34349086      -1.62736681 
O       5.49629999       7.23266998       1.41887997      -1.72810759       0.26385504       1.75069180 
O       3.54286997       5.21094001       0.72460302       0.05367040       2.63135561       0.44585411 
O       3.87337003       9.00849997       3.75849002       0.17989489       0.12315247      -0.14343278 
O       1.88888003       7.48195997       4.56860002      -3.23100681       0.32082568      -2.36089855 
O      11.11653472       8.92375997       1.26284001      -0.33910432      -1.65929193      -1.97995527 
O      10.66260005       5.40875995       5.87739004       0.42449491      -1.70245465       0.40742689 
O       9.30747997       7.14836004       6.98707997      -0.73258586      -0.37440559       0.31818779 
O       9.09811998      10.89180001       7.08347998      -3.63254481       1.44481919       0.54249066 
O       3.67898003       1.78424997       8.77921999      -8.38690000       1.03234575       4.75460235 
O       7.29259995       5.20756006       3.57243998       2.11894446      -2.15084411      -0.70357366 
O       1.51004998       6.76793999      10.04559997       2.13558356       0.67462848      -1.51895011 
O       2.18898995       7.50761995       1.93781004       0.12304792      -2.97415401      -1.69628642 
O       2.94550998       0.98393895       3.58065997       0.44917306       0.44113148      -0.20754305 
O      10.64300000       1.18017001       6.32365998       1.94130312       5.93527855       1.43557990 
O       1.13067996      10.53219999       4.63182996       7.07559792      -0.53447551       0.34839731 
O       2.46175996      10.88320004       7.22066002      -1.07851085       3.55656787      -0.92567293 
O      10.75699997       1.86193000       0.69501699       1.58727301      -0.57687940      -0.51087708 
O      11.01859996       2.11139997       8.68629002       0.47496347      -0.09717355       1.07676836 
O      10.80750000       8.94665997       9.23478999       1.82626392       1.01583351      -0.41999717 
O       1.83578004      10.65620001       1.35394998      -1.43927886       1.36343684       0.55552296 
O      11.01729997       0.92035698       2.99597997      -0.15103653       1.90016318       1.41128072 
O       2.10735998       3.46717004       3.84218998      -2.04944960       0.32965803      -0.34595521 
O       5.74192000       6.68247000       4.23079001      -1.62317566       1.83739813       0.60944461 
O       8.81759995       7.57478998       9.79216003       0.67944501      -2.09596387       1.56474438 
O       1.82667001       3.47087996       1.19165000      -1.95787416       1.87315407      -0.29879303 
O       2.88345004       5.66337004       5.86038995      -0.44141566      -2.57177039       4.36556904 
O       5.46551997       4.01622995       6.45940000      -0.69255026      -0.84603045      -0.03333980 
O       1.43899997       3.89320999       9.23931000       3.47278976      -2.34978271      -0.60584838 
O       3.49573997       4.94337997       8.64628997       1.98465876       0.20692467      -0.54221056 
O       7.51880002       5.25119003       9.00299995      -1.52029754       0.11850347       1.69473091 
O       5.37549000       3.16852001       1.05766005      -0.32819973       0.21387732       0.20984092 
O       4.97188005       3.39735005       3.77179003       0.85941220       0.10058538       0.53491453 
O       3.52134003       5.43880003       3.73294995       1.08209896       1.15931333      -2.25352002 
O      10.38699998       9.29377001       6.25738003       2.43732759      -2.29999480       0.15231045 
O       4.93356003      11.11062900       1.48059000       2.69652292       1.49534445       0.27469420 
O       1.44744997      11.12414257       9.53301002       0.58557623       0.05831759      -0.59010747 
O       3.18856998       1.65030000       0.50038203       0.08045470      -0.88256507      -0.52750071 
O       5.38019002       0.17065098       4.22436004       0.07825815       0.00738716      -1.13018210 
O       5.26687005      10.31599997       6.50235002       0.42748572       0.84818316       0.44373318 
O       4.05324999       1.77057995       6.22532998      -2.08426352       0.07434811      -0.77906781 
O      10.76659998       9.06817006       3.78411995       0.89643346      -1.44443664      -1.25369035 
O       1.15900005       7.47678001       6.96068001      -0.05200062       0.04798642       2.97066669 
O      10.92029997       5.50614995       0.90874202      -0.36576281      -0.41595962       1.02532826 
O      10.72379999       5.38288004       9.24011998      -0.31803985       1.00412879      -1.61864054 
O       7.19737998       8.82845999       6.47133999       0.56345901      -0.47916726      -0.19973879 
108
Lattice="11.1721961 0.0 0.0 0.0 11.1721961 0.0 0.0 0.0 10.83874337" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.043309944408845544 -0.001765641030629624 0.006189394440825434 -0.001765641030629624 0.03354576918190417 0.005273184235943633 0.006189394440825434 0.005273184235943633 0.04896248343758132" pbc="T T T" energy=-1050.19229036 free_energy=-1050.19229036 config_type=crystal 
Hf       1.56364001       1.57539003       2.60597999       0.98267380       0.64272436      -0.71427806 
Hf      11.16389069       7.01461996      10.08970004       1.52316093      -1.45065056       1.38850045 
Hf       1.92167002       9.04581000       7.82400001      -0.00594980       1.74390527      -0.40128100 
Hf       7.26321003       3.60852002      10.71069998      -2.70371757       0.47393732       0.12301559 
Hf       9.10928003       5.44486004       2.44872998      -2.06649063      -0.97904761      -2.31724068 
Hf       3.47649002       6.94495997       5.45915995      -2.81472255       6.24799933      -3.42797787 
Hf       3.53827998      10.79560003      10.45849998      -1.25392824       2.38870620       0.55799891 
Hf       7.24092005      10.76660002       5.59506999       2.09727965       1.79696454      -1.08307729 
Hf       5.16620000       1.67820999       2.51125999       0.04235319      -2.68833600      -1.45505510 
Hf       5.51708002       1.58667998       7.81288000      -3.95132503       1.75750939       1.29117566 
Hf       1.31604001       9.01777997       2.81793996       2.44493022       0.83200308      -1.80260023 
Hf       3.41843002      10.93029996       5.36844000       1.33434917       0.11270800      -2.37328160 
Hf       3.54680995       3.65802000      10.49120004       0.32141823      -1.56466910       0.72432884 
Hf       7.04138005       0.00504402      10.33850003      -0.04813931      -1.19586453       1.39893138 
Hf       8.98893995       1.55836997       2.87961002      -6.32701831       0.31296435      -1.89352084 
Hf       5.65175995       5.35638005       7.70130002       0.78683515      -2.29637624       2.17915517 
Hf       3.47966002       3.74982998       4.66394997      -4.63118477      -1.85367495       3.61220229 
Hf      11.13663645      10.88010004       5.25282995      -1.62622144      -0.95000614       0.29694397 
Hf       9.33125001       1.31558005       8.01606005      -0.80223569       1.54969028      -0.54731092 
Hf       4.99321999       9.61222996       2.50882995      -2.62278190      -3.19520570       0.43991406 
Hf       3.98203000       7.37937004      10.76459997      -1.19124448      -0.95168560       1.33733815 
Hf       5.39661001       5.22739995       2.66293997      -1.34896261       1.72939253      -2.86867252 
Hf       9.42412000       5.62204995       7.54283000      -0.74632012       1.54303391       3.13645234 
Hf      10.81830003       7.23094998       5.03565004      -1.26852523       1.39455107       0.18197158 
Hf       5.58792001       9.00186004       8.06314995       0.41740736       0.19418997       0.37762861 
Hf       7.29633001       3.57454995       5.15540005      -0.70639865      -2.25237444       2.16168058 
Hf       6.92837004       7.23533004       5.13530004       3.68300076       2.39009095       0.09936982 
Hf      11.01260005      10.95569994       0.09608524       0.87235725      -2.83928884      -1.60482528 
Hf      10.85049998       3.50506001       5.61498998       3.43750068       0.39117552      -2.46725354 
Hf      10.64609996       3.31280998      10.68680001       2.14432794       0.95851782      -0.81309583 
Hf       2.27194998       5.38052998       7.85106999      -0.81316853      -3.38557123       3.31899349 
Hf       9.51220998       9.23027000       7.90460005      -0.30687982      -2.83861496       0.93956879 
Hf       1.72230005       1.47632997       7.99880000       2.41441090       1.00783522       1.86419365 
Hf       7.57480001       7.73364004      10.78819017      -1.27919362      -3.46134423      -1.85518391 
Hf       8.37396999       9.32420001       2.62528997       1.86354770       0.72773605       1.27416591 
Hf       1.38124005       5.31413998       2.27304002       0.03861607      -0.76815699       0.54852397 
O       7.43930999       5.65106996       6.14763000      -0.24391274      -1.31798924       1.92789830 
O      10.62140002       5.55848005       3.64029005       0.98696530       1.31044780      -0.03304550 
O       6.93729004       9.39137005       0.82654100       0.68253040      -0.07940066       1.83267954 
O       5.09187004       7.19922999       7.09500001       0.39251677       1.92373606      -0.92867867 
O       8.76757003       8.27251997       4.44479003      -0.41984582      -2.70043958      -0.86005489 
O       5.64606995       7.57663002       9.62234003       1.30377060       1.18592740       0.31219602 
O       6.84789001       1.56267998       0.65512400       1.22153873       0.16399506       0.64914160 
O       7.28420002       1.01784002       8.53955000       2.40129544      -1.84481138       2.18160717 
O       8.88139002       7.47140000       1.89608002      -1.03774335      -0.02295668      -1.40623185 
O       3.20497996       9.01771997       5.85822005       0.80380385      -1.68375049       4.41781899 
O       6.79640998       1.78295000       4.16573997       0.59365855       0.04225080      -2.34357551 
O       6.66187004       9.51295002       3.80432999       0.88186197      -0.78888499      -0.25336815 
O       8.99407000      10.82470002       1.23539997       0.26306220       1.56814357       1.08799136 
O       3.33765001       9.10623002       9.26657996       0.69889134      -2.71353557      -2.38248880 
O       7.94389005       9.28057002       9.21714998      -1.96004669      -0.12091259       0.45020414 
O       9.75435001      11.03570002       9.35088999      -0.39333564      -0.12503077      -0.63314214 
O       8.88318997      10.98849995       4.08901999      -1.64508761       0.30250690       0.28325590 
O       5.26420004      10.36909999       9.52231003       3.58033763       0.91739100       0.86166015 
O       1.66609005       3.47411995       6.21494000      -0.34475111       0.04497885       1.28801024 
O       8.00306995       1.58905005       6.31634999      -0.64382700       0.06141989      -0.61863131 
O       9.44339997       3.79316000       6.87563002      -1.25295902      -1.87917059       0.85225988 
O       3.62301997       9.19010998       0.83904100       0.21168169      -2.84185661       0.37381544 
O       7.48311002       5.60538997       0.32317198       0.00784452      -0.18768763       3.29678806 
O       8.98840000       3.49571000       4.24297003       2.41099330      -0.78372948      -0.39685846 
O       8.59723996       3.42760999       1.69052000       1.09262208       0.29997149      -0.53524272 
O       5.56185003       2.60007001       9.50198001      -0.45707741       2.66258331       3.33425347 
O       8.89206003       3.02124001       9.85517001       0.72429620      -0.68317686      -1.29039956 
O       5.27923000       7.30399994       1.50806005       0.93388617      -0.52532483       1.46109701 
O       3.95686004       5.22134004       0.97409499      -0.15779156       0.55605020      -0.10188656 
O       3.14104003       9.12730995       3.69041003       0.97454331      -0.04813208      -3.52461960 
O       1.50560000       7.20834003       4.35199001      -1.06068664       1.00343399      -0.52976319 
O      11.06157806       9.19335003       0.96566798       1.20255606      -1.08524772       0.57347621 
O      11.16560004       5.54134000       6.12315004      -1.54433183      -0.66012280       0.71188465 
O       9.44048001       7.46470003       6.70458999       1.49712789      -0.86462409       0.77741300 
O       9.23418999      10.73850005       6.76246996      -1.17151177       0.38807191      -0.92484254 
O       3.58153995       0.96389395       8.79859998       0.16477977       1.41266254       0.41453897 
O       7.44210996       5.50369003       3.74162005      -1.36872529       0.60713421      -1.91465947 
O       2.06014000       6.64053003       9.60121001      -1.96872910      -0.00173700      -0.44345368 
O       1.77625997       6.93223998       1.31306997      -0.81300752       1.50979383       0.62514763 
O       3.59915001       2.00855998       3.75657004      -1.61371720       0.16178576      -2.34648147 
O      11.02401815       1.19291001       6.76073002       0.65688799       1.83799831      -1.27675848 
O       1.63790003      11.05854314       4.14436998      -0.66365935       1.95925393       1.19388311 
O       2.24056996      10.96059996       6.96741000      -2.96235111      -1.32209188       0.61449536 
O      11.06389998       1.56608002       0.81269797       0.24994871       1.92220777       3.17507789 
O       0.13403798       2.03958003       9.23421005      -1.33380139       0.03722479      -0.88021608 
O       0.03130148       8.76604995       9.07463004       0.24105684      -1.62545526      -0.50186877 
O       2.04403997      10.86910001       1.76264999      -2.22186756       1.50472064      -0.50738182 
O      10.61111109       1.51327999       3.53775001       6.94609274      -0.29151706       2.13492217 
O       1.34927003       3.37547002       3.77801005       0.00951620      -0.00940943      -0.74687238 
O       5.14159000       7.13644002       4.48272000       0.95919415      -0.67164689      -2.12204930 
O       8.93776995       6.89992999       9.37211995       3.54033520       0.58872428       0.24762434 
O       1.64501002       3.72082997       1.13162995      -0.36017617      -0.41467947      -0.87599692 
O       3.72417001       5.29909997       6.27524005      -0.08058213      -4.57349721       2.46113857 
O       5.87560004       3.33865998       7.16341004       1.01776932       3.65983394      -3.46493235 
O       2.20461002       3.38456005       8.91995998       1.48439801       1.27369706       0.33920667 
O       4.16700000       5.28745005       9.17207999      -0.65739071      -0.11963448      -1.99722977 
O       7.07883997       5.27411001       8.93960997       0.56783363      -1.67812086      -1.45865531 
O       5.44553004       3.41233000       1.65929000       2.10135662       3.53575024       1.01334219 
O       5.41915002       3.91085998       4.41161004      -0.05442710       1.70192664      -1.41497989 
O       3.17865000       5.49349998       3.72600002       1.26473275      -0.96955299      -1.24828826 
O       0.20840201       9.26070999       6.51866999      -0.39212839       0.19616172      -0.83912728 
O       5.02865004      11.02507414       1.26038999       0.77674689       3.20243810      -0.39161469 
O       1.68889999      10.82310005       9.52522001      -3.19222305       0.93273649       0.79261807 
O       3.60072004       1.98656997       0.80515399      -0.75572420      -1.05668538       0.72918424 
O       4.90731999      11.15962582       3.79269005      -0.20199243      -0.38322020       0.99424506 
O       5.27054004      10.99579997       7.09538998       2.85406667      -6.89145639      -3.36517702 
O       3.86829995       1.38550996       6.27245005      -0.02160870       3.94633498      -0.26457221 
O      10.77310001       9.45489996       3.85182005       1.85722057      -1.62288968      -0.78889425 
O       1.98402003       7.12114003       7.04648005       0.04249050       0.52031241      -0.18986136 
O      10.73280000       5.28584003       0.90944698      -0.71533049       0.27461465      -0.02681018 
O      11.07698363       4.95400000       8.89368004      -0.81315252       2.59603753       0.21077240 
O       7.39672001       8.86922998       6.52385004      -2.96646870       1.25135275       0.58166410 
108
Lattice="11.20700028 0.0 0.0 0.0 11.20700028 0.0 0.0 0.0 10.87250876" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.05083108334793647 -0.014465771207188996 0.011600291608748958 -0.014465771207188996 0.06406748067435039 0.003959556061199018 0.011600291608748958 0.003959556061199018 0.09313447004706163" pbc="T T T" energy=-1047.1984939 free_energy=-1047.1984939 config_type=crystal 
Hf       1.70433998       1.82365004       2.49937003       0.32757362      -0.67620615       2.35062055 
Hf      10.90410005       7.22015005      10.82987483      -0.86843835      -1.11082304       1.41047910 
Hf       1.39116002       9.16655003       7.72399005       0.71099301      -1.98336863      -0.04370801 
Hf       7.22037004       3.24171000      10.65699998       1.20088385       3.46903551       1.27265434 
Hf       9.09554001       4.85218004       2.49402000      -0.99011144       4.01774866      -0.10371208 
Hf       3.25937997       7.07265001       4.99931000       0.67015295       0.64210550       0.88511849 
Hf       3.62422005      10.96290005      10.84923126       0.29613787       0.10229000      -0.86339362 
Hf       7.00291995      10.99610000       5.40828996       0.39451706      -0.11648049      -1.51349590 
Hf       5.60490998       1.77210995       2.60564000      -0.43848411      -0.97778169       2.65583159 
Hf       5.49187001       1.51736004       7.99264996      -3.01590479      -0.12557379       2.28156278 
Hf       1.84763000       9.38122001       2.65712002      -0.21079165      -2.84876651      -0.42077365 
Hf       3.23740002      10.82400004       5.27588999       0.84967829       3.45442549       1.05895581 
Hf       3.51647001       3.26798997      10.64920004       0.66803795      -1.18105797      -1.88005401 
Hf       7.35227005      10.93209996      10.65150001      -1.51916508       0.96934628      -0.02000625 
Hf       9.30858005       1.41083996       2.70060005      -1.76829686       2.48197770       0.15569438 
Hf       4.95101995       5.30868005       7.86973005       0.73032706      -1.92802016       1.84901026 
Hf       3.65210004       3.56140000       5.26041003       0.36638318      -2.58250961       0.93898024 
Hf      10.96100001      11.19285974       5.35889996       0.89019179       0.97813286       0.04434168 
Hf       8.94623004       1.81099006       7.95389001       3.02264513       0.35393984       2.21258802 
Hf       5.67475996       9.10871003       2.42336000       0.08813499       0.55611327      -0.44289912 
Hf       3.68111004       7.22839000      10.61100003      -4.30537468       0.51012695       4.03636407 
Hf       5.68057001       5.57463998       2.16360000       2.52792444       0.12165579       2.26436786 
Hf       9.48974995       5.65591001       7.94345001      -2.74912210      -1.64525181       2.14198923 
Hf      10.77220005       6.96206998       4.86458004       1.24138025      -0.29857729       0.81879385 
Hf       5.11772005       8.76232003       7.85825999       2.49671953       0.44397872      -0.05733005 
Hf       7.30465005       3.84764998       5.64617002      -1.84055973      -0.82390353      -3.81435593 
Hf       7.34515002       7.25083997       5.47459998       0.56340829      -0.68936780      -0.96976844 
Hf      11.00449998      10.76850006      10.58490003       0.54261973       0.33107917      -0.40586965 
Hf      10.89890001       3.62271002       5.46745000       2.26379494      -0.92025418      -0.22047929 
Hf      10.83059995       3.59458998      10.77929852      -1.00824776      -1.15872862      -0.87466185 
Hf       1.64302996       5.27012001       8.14683996      -0.60322735      -0.97547422      -2.05631860 
Hf       9.15973001       9.39757002       7.67542005      -0.91282592      -0.34053819      -0.24163102 
Hf       1.58331996       1.63222002       8.29953000       0.69447044       2.96580213      -5.98530565 
Hf       7.08113999       7.08330003      10.30060001       0.03675682      -1.15332823       1.19602828 
Hf       9.21493995       9.05287003       2.36599001       0.14018405       0.78098739       1.11645732 
Hf       2.13657997       5.29134999       2.41644997      -0.13775686       0.76694605       1.99697927 
O       5.29556001       3.51264999       6.81004000       0.70853141       1.38861788       1.21781005 
O       0.18995798       5.09054005       3.99348997       0.56015944       2.21207248       0.02594250 
O       7.51670005       8.86953001       0.94740802       0.03710740       2.08305626       0.92909250 
O       5.47164003       6.74722002       6.71971001       0.04953627       5.77819521      -2.11123416 
O       8.90362002       6.19277004       4.25594005       2.29505191       3.20498951       2.57274564 
O       4.69501004       7.10858997       9.09734001       3.17694848       0.75688557      -3.89710258 
O       9.31450003       0.03664555       0.56230495      -1.51607911      -1.58278874       2.18108283 
O       8.94205006       3.93996003       9.12527997      -0.52149634      -1.04412247       1.47749960 
O       9.49533002       7.26949997       1.92207004       0.38009350      -0.45268122      -0.30579836 
O       3.40911995       9.00578998       4.33255003       1.29067475       2.03798423       0.23684381 
O       7.53155000       1.90197005       4.22819003       2.40027972      -3.17895406      -0.72024421 
O       7.83923001       9.33398004       4.05916003       0.28524284      -1.17566064      -1.64468984 
O       0.01698690       9.08315000       1.23718005      -0.12585368       1.19905799      -1.36274521 
O       3.42770004       9.05140998       7.07910002      -1.69218234       0.32318784      -0.23049006 
O       7.02630996       8.78146999       9.00879995      -0.03661970      -0.41226625       0.71289221 
O      10.98540000       1.73055999       6.88782998      -1.13621939      -0.74444273       0.26640730 
O       9.83412997      10.89320001       3.49577001       0.48171105       0.69805690       0.44063812 
O       7.37960998       1.74895001       9.46404005       1.08563150      -1.93851399      -2.08392941 
O       3.58201001       5.01953003       9.58897996      -1.91999029       1.05545308      -2.16141250 
O       7.10834005       1.85919002       6.95856000       1.17073961      -0.58342671      -1.24013388 
O       9.30529998       3.81755997       6.74409998      -1.52640024      -1.69091894      -1.78719155 
O       5.57454999       0.04555365       9.50363001      -0.44927312      -0.07936881      -2.04464145 
O       5.97804997       3.58869005       2.15595999      -0.98452007       0.58603810      -3.11846608 
O       9.43611997       3.41420995       3.81230005       1.08069854      -1.03649933       1.03371785 
O       8.78229001       3.33787996       1.23803996       1.59667518      -1.47295855      -1.02897427 
O       5.39325995       3.24109003       9.86874005      -2.95970702      -3.27413343      -0.15404755 
O       6.41752004       5.07812998       9.90990000       1.24410885       4.46290032      -1.50471088 
O       5.38702998       7.42864004       0.78775001       0.71719611      -0.78220396       0.37839821 
O       3.87918996       5.29678998       4.06138999      -0.39554157       1.05829458      -1.52975248 
O       3.81272998       9.26902998       1.57214998      -4.61032267      -0.94818671       1.94600759 
O       2.36404005       7.37103001       3.17788003      -1.60672114      -3.28559850      -1.58074275 
O       8.94806004       6.68364999       9.96293001      -0.06812912       1.43398377      -0.59172242 
O       8.95639995       7.35224999       7.01510998       0.45466522       2.19509691      -0.82826980 
O       7.43292997       5.66978999       6.74930998       0.21970159      -3.50988669      -0.24239888 
O       8.93389002      11.14559690       6.40422003       1.75487933      -0.06750718      -0.14649282 
O       3.47250002       1.69485001       9.30828995      -0.61443658       0.05670402       0.62508824 
O       7.03806006       5.06159001       3.88535004      -1.22141317      -1.53649961       1.97395777 
O       3.26629996       9.19886004       9.90457997       0.48813143      -0.87512388      -0.61719822 
O       1.62901000       6.77511996       0.41280295       0.36252085       0.07632504       0.24000843 
O       3.35803004       1.43162996       4.03791004       0.23552254      -2.27677095      -1.31472936 
O       0.20219401       1.77188995       4.48810997      -0.21403987      -0.12730614      -1.74919156 
O       1.67106998      10.84129995       3.93427003      -1.50329264       0.17739286      -1.17884017 
O       1.55555999      10.93509996       6.48592997      -1.12790867      -1.57321115      -0.73794200 
O      10.49100005       1.95832994       9.49792999       0.78527988      -0.45803293       1.06516011 
O      10.99406324       5.76937002       9.32214000       2.15020968      -2.17961766       0.02999029 
O      10.77979996       9.01784995       9.27401002       0.50185670       0.43890253       0.70094278 
O       1.54380004       0.06298984       0.83026598       1.56399322      -0.37367907       1.34435151 
O      10.82349998       1.71211002       1.52890001       1.97193317       1.07913280       0.80595717 
O       1.41764003       3.26845999       1.07007003       2.13780750       1.84420267       0.31096148 
O       5.92023003       7.30671998       3.43175996      -0.52328421       1.08039680       0.29503649 
O       7.54519004       5.47239998       1.24154004      -1.77772505       1.61772372       0.34951771 
O       1.41038003       3.36822998       9.24199004      -0.00823574       2.31955164       1.88366037 
O       3.42144003       5.39620000       6.53709002       0.42488018       0.63393223       1.88176170 
O       7.07274001       1.37567004       1.05527004       0.17059967      -0.72255258       0.98428748 
O      10.99310000       5.61299998       6.73426003       1.88117101      -0.44136206      -1.89230208 
O       3.71881005       5.45678000       1.23368998       0.37244183      -1.31032756       0.52489917 
O       7.33080999       9.20248999       6.43173998      -0.43486173      -1.58764049       0.65440825 
O       5.52202995       2.74346000       4.37101001      -2.50583368       1.45593055       1.92406276 
O       3.16059004       1.55151998       6.60199999       1.77447865      -0.15270501       1.37037710 
O       2.38171999       3.46636004       3.78738004      -3.21638481       0.97864773      -5.18911680 
O      10.93369998       8.97411004       6.56133996      -1.61054662       2.11973823       0.59842158 
O       5.26642999      10.66729995       0.92265805       4.87684807       0.23232015       0.93760006 
O       1.55322995      11.18800004       9.05524003      -1.93010623      -4.94015139       2.22199894 
O       3.93478004       1.62875997       1.08381995      -1.14836695       1.53638874       1.38924028 
O       5.78787995      10.86164132       3.84063000      -0.95560862      -0.51670256      -1.67262619 
O       5.30182002      10.60709998       6.60103005       0.39536642       2.17105158       0.15896875 
O       1.80879998       3.76687004       6.43573997      -2.87009601      -0.06148184       0.60463048 
O      11.15630003       8.64168004       3.85588000      -0.27287301      -0.74464426      -0.31003766 
O       1.70202999       7.49270004       5.99435004      -1.33939218      -0.37708255      -2.05755789 
O      10.60739999       5.38889001       1.06060997       0.85666499      -2.39993350      -0.28273611 
O       1.51570005       7.17099996       8.27619998       1.37436455       1.66299081       1.70306101 
O       9.12846999      11.07339995       9.04458997      -0.84485001      -1.44993802      -1.45301294 
108
Lattice="11.25510623 0.0 0.0 0.0 11.25510623 0.0 0.0 0.0 10.91917891" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.039447198854045344 0.00037371393529698924 -0.0001830290781883815 0.00037371393529698924 0.06293488245362867 -0.00355689551702139 -0.0001830290781883815 -0.00355689551702139 0.05187906747665357" pbc="T T T" energy=-1047.35367436 free_energy=-1047.35367436 config_type=crystal 
Hf       1.66011005       1.23862005       2.48669002      -0.87552977       1.07466681      -1.10177793 
Hf      11.06169995       6.87218002      10.04909997      -3.60855365      -0.15351049       3.61970379 
Hf       1.73983998       9.35175004       8.01563995      -1.12784602      -1.64995014      -2.19209376 
Hf       7.52687998       3.24729005      10.40450003      -0.07660673       1.01076805       2.69496697 
Hf       9.03939000       5.47176995       2.66020997      -1.84482459      -1.08357037      -0.52852276 
Hf       3.77567001       7.14755003       5.22776000      -1.39096017      -0.09525157       2.77246288 
Hf       3.71666996      10.78859997       0.13442405       0.80666894       4.87575112      -0.49321133 
Hf       6.99872995      11.23611436       5.02795005       2.59426013       0.70952437       2.36618896 
Hf       5.36182996       1.72160997       2.64061004      -0.47473684       0.91251873      -2.79718617 
Hf       5.20247004       1.44481000       7.95305002       3.82492550       0.18417205      -2.75520015 
Hf       1.23622001       8.84844003       2.68628005      -0.69966790       4.83241726      -5.20869932 
Hf       3.36569005      10.95260004       5.05514001      -1.36332132       0.74024330       1.08431548 
Hf       3.76356999       3.86934998       0.09944828       0.48060246      -5.19620366       2.92365357 
Hf       7.19424995      10.93189998      10.50770003       0.52929343      -0.52148374       2.09785501 
Hf       9.11542004       1.71584995       2.60906999       0.80884309       0.03607297      -0.99436207 
Hf       5.41650997       5.50266995       7.96932003       5.17464377      -1.62207917       1.73135181 
Hf       3.37865998       3.48509997       5.46637005      -2.84838482      -1.71248638      -0.09917705 
Hf      10.91669996       0.07246161       5.44587005       0.33186540      -1.42948551      -1.20203901 
Hf       8.98379000       1.37986004       8.24222001       2.91364650       1.84740645      -0.63002518 
Hf       5.39716998       9.16046005       2.27721998       1.35027649      -1.14956178      -0.49846766 
Hf       3.59681006       7.36549999      10.71690003       0.14877254      -1.52815208      -0.90641529 
Hf       5.06557002       5.49947001       2.84169000       1.95459261      -0.73198777       0.71137015 
Hf       9.27614004       5.35933999       7.34368002      -1.57782221       1.54867300       3.66183533 
Hf       0.20978899       7.30274005       5.09820995      -4.84655489      -0.46541541       5.48747212 
Hf       5.15847000       9.05030003       7.78622003       2.24455722       3.18597241       1.16279077 
Hf       7.08752002       3.47741004       5.35482004       3.12720647       2.31772539      -0.16738763 
Hf       7.47218995       7.52804995       4.94194001      -1.19236228      -0.68014956       1.49350671 
Hf      11.22845605      10.88430000      10.40020005      -0.86334718       0.15210778       3.78371721 
Hf      10.85870004       3.52871002       5.14397998       0.65771459      -1.29417470      -2.36982086 
Hf      10.88040000       3.17319003      10.48830003       1.69149773      -0.34233654       2.84175272 
Hf       1.95158995       5.32054004       8.18921996      -2.21181974      -0.52485341      -2.39614322 
Hf       9.05209004       9.10962997       7.67508005      -1.46534688      -0.19694828      -0.17236551 
Hf       1.85601001       1.35279995       8.59362998       3.52866753       3.98232815      -2.46635327 
Hf       7.43407004       6.76595005      10.75290002       0.49637050      -0.22315479      -0.15525292 
Hf       9.00290995       9.32647006       2.32531995       1.01066302       0.30592688      -2.10437906 
Hf       1.43547996       5.58271998       2.21312004      -1.27600849      -3.09186564      -2.10374303 
O       5.57462001       3.52418997       7.66259997      -1.05903503      -1.00937493      -0.07831589 
O      10.97207227       5.50530004       3.24964002       1.46084534       1.02184412       0.79405034 
O       7.00857997       9.36359998       3.35488005       1.31952166      -0.10907690       2.68513564 
O       5.35823002       7.23375998       4.16820000       0.37669885       1.10375457       0.14227942 
O       7.93634997       9.61279005       5.81420999      -0.47011174      -2.83975181       0.37917499 
O       5.67987000       7.48043995       6.73195999      -0.18141868       0.35090637      -0.34819635 
O       8.21518004      10.98560001       1.49217000       2.35713283       0.71640539       0.82279253 
O       9.41792995       3.50291996       9.22787999      -3.03547689      -1.62739965      -1.95178981 
O       1.46023996       7.47312998       1.19779003       0.64639444      -1.06107655       2.82266197 
O       3.40828995       9.10681000       6.38003005       0.10663082       0.31386722      -1.11486542 
O       7.12430002       2.03702003       3.70282001       0.48532753      -2.27133036      -0.66943390 
O       5.22451001       0.14745495       4.42283001      -1.67069528      -0.32055601      -2.50766719 
O      10.89890001       9.84003999       1.21064999      -1.32341862      -0.13870373       0.76437443 
O       3.51250998       8.57110003       8.87314000      -0.72945956       0.58754955       1.08830956 
O       7.10015996       9.09844003       0.75631802      -0.84918161      -2.04962947      -0.76275151 
O      10.65420005       1.79806996       6.30527997      -0.19914462       0.93612425       0.39779082 
O       9.28276997       0.00298801       3.91351998      -0.36683952      -0.30007456       0.97349378 
O       7.36092997       1.46637005       9.36583999      -1.51701655       1.02038702      -1.75951312 
O       3.92112999       5.67530999       6.71773001      -3.53372685       0.07642541      -0.48456177 
O       7.09235004       1.72251005       6.33481995       1.36978244      -2.66176713       0.76421625 
O       9.11333999       3.90822995       6.25688006      -0.30972710      -2.43734625      -0.87543313 
O       5.41198001      10.68479998       9.50215000      -1.05918598      -0.78819167       1.90666289 
O       8.24188998       5.07603997       0.89592496      -1.68380908       0.54568414      -1.90394321 
O       9.15718999       3.59701996       3.56623997       1.81218890      -1.32302608       0.25853056 
O       9.20911003       2.67915997       0.77473496      -0.76887354       0.04698138       0.14466248 
O       5.71016998       4.01693999      10.35970006      -0.98317508      -0.58490499       0.57576023 
O       7.35572999       5.34350001       8.81200996       1.52568572      -0.08640209       1.05563003 
O       5.42804004       6.87878001       9.70751006      -0.63460134       0.91325710       0.39536690 
O       3.90439005       5.61603002       0.92898103      -1.41663686       3.18681445       1.59217554 
O       3.01456000       9.41066005       3.28746002       5.37557856       1.59933333       1.93734966 
O       1.72458999       7.86919998       4.26854999       5.25437793      -4.05582755       1.31524721 
O       8.84428003       7.30836997       9.51751001       2.20975176       0.74255619      -2.85787103 
O      11.01129722       9.18808999       6.06622005      -0.09950123       0.76395485       1.59915672 
O       7.04910004       5.32115997       6.27015996       0.21782190       1.83568838       0.88936179 
O       7.25499004       9.51652997       8.65584998       2.28045208      -0.93618427      -1.16585087 
O       4.01290998       1.31139996       9.29527000      -4.80115378       0.90480669       3.13594325 
O       7.26584998       5.04063996       3.81043999      -0.65717705       2.03013404      -1.56769331 
O       3.79524005       8.92668002       1.02933997       1.36668444      -1.43393683      -2.71501497 
O       3.36397004       4.92835001       9.48015998      -0.45792856       1.97600027      -2.90444529 
O       3.27785002       1.77269004       3.81298001       0.47567918      -1.06484127       0.27173699 
O      11.23856336       1.81652001       3.62802997      -1.31150186      -0.23070455       0.01847544 
O      10.82979996       8.62331000       3.71046999      -2.00362384       0.29432634      -1.68561540 
O       1.48650003      11.18214478       7.07781996      -0.72162273      -1.27751251      -0.79323702 
O       0.00889378       1.42264003       9.19523001      -3.43964300      -1.54561372      -1.18538605 
O      11.16845508       5.09422000       8.77631997       0.79081291       2.39363726      -0.14163824 
O      11.24910006       9.12636001       9.25616001      -0.49089422      -0.75839431      -1.10818254 
O       2.06768997      10.61749996       1.11102995      -1.79230200       1.37513374       2.06224039 
O       0.05359378       1.43874000       1.06523000       1.01315499      -0.61142825      -0.53432241 
O       1.46716005       3.60744996       4.69413001       1.82211184       0.11852460       0.38288248 
O       5.97116003       6.88416997       1.80931002       0.44017339       1.60082177      -1.54710882 
O       9.64258997       7.36481996       0.80975899      -0.07607803      -0.24342814       1.43268156 
O       2.19313004       3.84344005       1.92751996       0.55055823      -0.13531810      -0.45390410 
O       3.42071998       5.20753000       4.34037001       0.32283767       3.86991476      -2.08260368 
O       6.73117998       1.57593997       0.90657695      -0.26268460       2.11138561      -0.55561398 
O       0.04899382       5.34354998       6.01751997      -1.71325750       0.52594629       0.27623752 
O       5.15493004       3.77494001       2.13451997       0.02313002      -3.39211979      -0.63140598 
O       9.11673003       7.23665997       6.59317996      -0.81346213       0.80235128      -1.07241177 
O       5.31956996       3.59481002       4.95474002      -3.95883018      -0.52026162      -1.28255208 
O       3.77426999       1.11496999       6.70518998      -2.26910679       1.03861629      -2.77814328 
O       2.22174998       3.16561005       7.17477004       0.08981363       2.07929763       1.73184505 
O       9.40552997      11.07689997       7.26216005       0.76841142      -1.78251793      -1.75536561 
O       5.34812000      11.08019997       1.66109003      -1.73286658      -2.15250447      -0.14045378 
O       1.93923995      10.83079998       9.53533000       0.63695940      -1.02314218       0.56934545 
O       3.59653003       1.63969002       0.95242702      -0.07142600      -0.62559167       1.01505608 
O       1.35550996      10.98170000       4.18177997       0.54420984       0.67225609       0.16145243 
O       5.49330997      10.86269999       6.85268003       1.67433179      -2.30088538      -0.43245099 
O       1.50355996       2.78653999      10.02670004       3.86869649       1.58376150      -0.10782869 
O       8.72786003       7.29079006       3.47841003      -0.67308701       0.92148919       0.71559995 
O       1.27183004       7.26294999       7.08930006       1.49104458       0.06689900       0.92145741 
O       0.34357304       4.88248996       0.46591601      -0.71543410       2.28660285       0.51208734 
O       1.70526002       7.04772996       9.94778997       1.95441059      -1.05866543      -2.87598648 
O       9.30755000       0.10329374       9.75527000      -0.70947051      -1.67960252       1.23001234 
108
Lattice="11.27775677 0.0 0.0 0.0 11.27775677 0.0 0.0 0.0 10.94115341" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.061863932161554606 0.002948224764159535 -0.009902596551482522 0.002948224764159535 0.05733733178813341 5.21999627970105e-05 -0.009902596551482522 5.21999627970105e-05 0.08416962735523148" pbc="T T T" energy=-1045.95651221 free_energy=-1045.95651221 config_type=crystal 
Hf       1.57763998       1.74472998       2.38627004       2.01997475      -0.05574744      -1.37871526 
Hf      10.96959996       7.05521002      10.36089995       0.06647482      -1.43350424      -0.04218872 
Hf       1.62970002       9.16999004       7.63944001       2.19203700       0.79678523       0.06664673 
Hf       7.05907006       3.36628995      10.42640004      -2.74224615       3.17099486       1.08756952 
Hf       9.49140995       5.42744999       2.61201000      -2.06645075      -0.22447079      -2.63029253 
Hf       3.60682995       7.07880004       5.26320005       1.03119033      -0.15966087       1.19890990 
Hf       3.45844997      11.17384780      10.61550004      -1.63012716      -2.76090758       0.85078973 
Hf       7.09905997      10.97599997       5.26793998       0.70855344       0.59982433      -0.13359637 
Hf       5.58604999       1.58762001       1.99945005      -0.19534148       1.26819756       1.95516128 
Hf       5.03987003       1.50381996       7.80361005       2.26302045       0.77979797       0.06412771 
Hf       1.65092995       9.11858005       2.43346996      -1.33630541      -2.23966614       0.76462329 
Hf       3.45594000      10.88850003       4.72397997       0.28021873       1.53525698       1.88436168 
Hf       3.33391997       3.34564996      10.74260003       2.17763081       1.59731757       1.83762297 
Hf       6.91059997      11.09679997      10.49760004       1.16684884       0.37780358       0.59790800 
Hf       9.38236001       1.65453004       2.67077997      -1.96844407      -2.11534201       2.25908349 
Hf       5.10829997       5.35080997       8.06118001       1.53396859       0.25691621      -1.00989526 
Hf       3.96983997       3.40172996       5.03883004       1.29897951      -1.07061474       0.11865008 
Hf      11.11789581      10.86680005       5.32845998      -0.57065077      -0.81504750      -0.36851143 
Hf       9.09017003       1.46306000       8.58142004       0.33612191      -2.33335599      -0.15113949 
Hf       5.58090000       9.21349997       2.68579003      -1.96336290      -0.80734781      -1.44683260 
Hf       3.10677005       7.35075999      10.17070004       2.80588793      -0.81522988      -0.05876805 
Hf       5.91063996       5.64766004       2.50254004       0.39718765      -2.43763947      -1.86043263 
Hf       9.04034997       5.18884999       7.62849000      -0.91920151       1.64742763       0.04680766 
Hf       0.00399357       7.31680999       5.01207006      -3.14644704       0.28859942      -1.81889360 
Hf       5.39393994       9.11160002       7.84311998      -1.42917284      -0.87771860      -0.64782214 
Hf       7.41583005       3.30177002       5.42598002      -0.57244249       0.04151619      -2.39157501 
Hf       7.28403999       7.42592003       5.03810004       4.09676536      -3.16151944       4.98511004 
Hf      11.06629996      10.80399997      10.83719998      -1.34004633       2.02867455      -0.98536998 
Hf       0.14541494       3.72423997       4.70645005      -0.01818614       0.90839710       1.64532564 
Hf      10.86380005       3.68458997      10.91643844      -0.95189721      -0.43608601       0.97070173 
Hf       1.50575003       5.10275999       7.82937997       0.34919070       1.23104056      -0.91314746 
Hf       9.07790998       9.02639003       7.87418005      -1.20332100       0.36286410      -0.34884462 
Hf       1.20116004       1.57429996       8.03527005      -1.82175178      -3.42461681      -1.19853402 
Hf       7.17762995       7.43483995      10.73039999      -2.96641874      -4.64517805       1.12847225 
Hf       9.07748999       9.08581005       2.07296005       0.39529528      -0.65242867       3.00413366 
Hf       2.29275002       5.44262004       2.34797995      -1.48690662       0.68658122      -0.35003163 
O       5.06340998       3.83329002       6.65054006       2.31429217      -1.41619030      -0.18132256 
O       0.12862304       5.34786997       3.40237999       0.05853512      -2.67786264       1.76732587 
O       7.21452998       8.95718001       3.84110001       0.99585202       2.85877080      -1.89391405 
O       5.80111004       6.81253998       4.20691003      -2.93216472       0.14445554      -3.52406376 
O       7.01493997       8.82210000       6.49076005      -0.01569890       2.20106751       0.46985570 
O       5.46011996       6.81710996       6.38457998       0.13375336      -0.16258873       2.83732452 
O       9.61538001      11.04629998       1.89012003       0.62281277      -2.00406297      -0.50035067 
O       9.00035003       3.04511004      10.28810003       3.15325084       0.82141029      -0.37117583 
O       1.47898995       7.16316003       0.98802795       2.15000036      -0.45025388      -1.77731342 
O       3.53973001       9.02597004       8.99892001      -0.80658449       0.63871900       2.68500480 
O       7.47442003       1.17802000       3.38743996      -0.61371827      -0.68323343      -0.21897939 
O       5.23234999      11.08320080       3.65303996       1.78054511      -0.36375583      -0.45823809 
O      11.21917728       9.03930001       1.19826002      -2.00280811       0.49018051      -1.88635081 
O       3.41327004       9.23871004       1.56938001       0.17906670      -0.13510387      -0.54993702 
O       7.18686001       9.64995998       1.25283997       1.43087832       0.39134168      -1.28715574 
O      11.17139997       0.94681696       9.45688004       0.59763951       5.27428003      -2.89547972 
O       9.11452998      10.82030005       5.14558998      -0.47765795      -0.19107793      -0.91955924 
O       7.13288997       2.01881004       8.91358000      -1.32112474      -3.24659659      -0.34486775 
O       3.34549997       5.41534998       6.48463005      -1.58767394      -0.94865918      -1.00485387 
O       6.58132003       1.47292003       6.03056004       0.04070803       0.78400696       1.17251611 
O       8.84949999       3.22993003       7.73643006       0.99552123       2.24939452      -2.76320357 
O       5.30651004      11.02700002       9.11732999       0.82738953      -0.03619852       0.12445209 
O       6.91201002       5.28907000       0.67686198       0.73285293       0.67324682      -1.52783186 
O       9.16226997       2.63411001       4.70316005       0.39046368       2.43393499       0.23665818 
O       9.30410005       3.33188005       1.93210003       0.52116035       4.38772764      -0.86175309 
O       5.03310000       3.37640001       9.26585997      -1.30117638       0.40454255       0.27009189 
O       7.02487996       4.96366995       8.96380996       1.23014378       1.15418753      -1.79044311 
O       5.06255005       7.10515999       9.52369000       1.08331175      -0.05207506       0.37339130 
O       3.63216994       5.11432003       0.93929496      -0.23959882       0.38609329      -1.93070006 
O       3.63364000       8.48815999       6.73876000      -1.51740549       0.46685756      -0.31269683 
O       1.69600996       7.36460997       3.64494996       1.57927165       0.27661232      -0.66471775 
O       9.22976001       6.94715005       9.29085001      -0.89571821       2.46247406       1.25307059 
O      11.24156363       9.14294000       6.39268005      -0.77157204      -0.24223230       1.55697678 
O       7.74627001       5.25146004       5.76323002       1.31885231      -0.54393788       2.88540235 
O       6.98322996       8.86719998       9.38006997       1.27480513       2.32498719      -1.05834163 
O       3.60549004       1.47823005       9.62043004      -2.17039392       2.01412008      -2.39279914 
O       7.69080995       5.26759005       3.29676001      -0.47922930       0.02664602      -0.27179919 
O       4.11306996       8.97889996       4.11928999      -1.35274659      -0.12536164       0.38718745 
O       3.35185995       5.51700001       8.93900002      -3.33431420       0.08437829       1.31077883 
O       3.45899999       1.51735000       3.73754998      -0.80765624      -0.07255973       0.95405466 
O      10.73450001       0.99637199       6.77423001       2.76638099       1.11243137       1.93865797 
O      11.08909997       8.95298999       3.92970004      -0.62825496       2.44216128      -1.52784541 
O       1.97989997      10.75049999       6.36691002       0.02103611       0.75325737       1.21923610 
O      11.04940001       1.93705002       0.87124295       1.44153461      -1.58497778       1.45625284 
O      10.78770001       5.28154999       8.89583006       1.01197699       0.22188875      -0.04899358 
O      10.56620001       9.80157995       8.99643998      -0.38638556      -2.79427342       1.83597290 
O       1.86111001       0.11670595       1.04222998      -2.57805568      -1.32187945      -0.08139306 
O      11.12455374       1.74551999       3.80643001       2.97188935       0.77130135      -0.75155193 
O       1.31707000       3.31624998       6.89133001      -0.48942746      -0.47838955       0.28364013 
O       5.81244002       7.42477004       1.44059005      -0.80050099       1.71112527       0.53939549 
O       8.35395998       7.15764002       1.29933002       3.75409022       2.63135351       0.09830443 
O       2.24162998       3.76091997       3.96932004      -2.61129878       0.31005691       0.53053481 
O       3.94582004       5.76646996       3.33432996      -0.98244476      -0.61804372       1.42134885 
O       7.08989002       1.50056001       0.74997602       0.64221660      -1.27210892      -1.41692534 
O      10.93970003       5.32364005       6.09525004      -0.78326869      -2.24279573      -0.11611735 
O       5.59671999       3.38293005       1.00052001      -1.63358295      -1.73947324       0.82389324 
O       9.12716005       7.50209000       6.61244001       0.78903331      -1.14504039      -0.31179365 
O       5.98575004       3.57505002       3.87812005      -2.63255140      -0.92131781       1.51917034 
O       3.65339998       1.75754997       6.43919997      -0.82030154      -0.05174988      -0.09078437 
O       1.32718999       4.01845996       9.67651002       1.53914435      -2.52237951       0.08115553 
O       8.43343997      10.97220005       7.63306996      -0.58493329      -0.08444531       0.61346675 
O       5.09710995      11.18406207       0.74267105       1.77061886      -0.23902707       0.80069755 
O       1.50611002      10.67889999       9.16599996       2.32868308      -0.08352691       0.25389924 
O       3.45582000       1.82501002       1.30096003       0.70270656       0.92727940      -1.70188058 
O       1.45204998      10.90520002       4.03311003       2.22040406      -0.45793351      -3.11193492 
O       5.16288002      10.71440000       6.62357000      -0.08146308       0.75482567      -0.98254295 
O       1.69931998       3.60261004       1.34807997      -1.38232005      -0.30963768       0.41243936 
O       9.43250994       7.04351995       3.59607999       0.03138808       3.02138294       2.03358203 
O       1.46076002       7.01187997       6.11576000       3.27246970       0.27305537       3.06211641 
O      10.71210002       5.66240999       0.93935098      -0.32828828      -0.85551207      -3.22248625 
O       1.49339999       7.46333004       9.00073996      -2.53527561      -0.92171067       0.74424327 
O       9.04813997       0.34704195      10.35390002      -1.57970978      -1.99549434       0.06858459 
108
Lattice="11.29364169 0.0 0.0 0.0 11.29364169 0.0 0.0 0.0 10.95656422" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.07998969979103068 -0.006763027290080902 -0.005975258155508345 -0.006763027290080902 0.07643913553603641 0.0024074987862911152 -0.005975258155508345 0.0024074987862911152 0.07524597404860597" pbc="T T T" energy=-1046.0092134 free_energy=-1046.0092134 config_type=crystal 
Hf       1.72787997       1.46381001       2.40972998      -2.15873587       2.66816549      -2.94406378 
Hf      10.91930005       7.04138999      10.59860001       2.33183618       0.90587625      -0.40949437 
Hf       1.97318001       9.28382996       8.07300995       0.44329407      -2.01762362       2.37675240 
Hf       7.28093005       3.83956995      10.61979998      -0.08571680      -3.76109411      -1.94351162 
Hf       8.97747999       5.37821005       2.42552003      -0.40284562      -1.36960021       1.87198286 
Hf       3.20560002       7.37815995       5.20072002      -1.12147936       0.82502224       0.52826564 
Hf       3.82265004      10.65799996      10.65080004      -0.18466296      -1.38248902      -0.25856053 
Hf       7.44652996      10.81670002       5.40261005      -0.20824497       4.29201900      -3.04422727 
Hf       5.40161996       1.86837999       2.77957998       1.63707056      -2.18071894      -1.92524698 
Hf       5.49112998       1.37237002       7.78062998       1.93573208       1.22941253      -0.73674595 
Hf       1.48805000       9.17421997       2.27339997       0.26884221      -1.23885629      -1.71728524 
Hf       3.48347002      10.98940002       5.04263005       0.25165167      -1.17974544       0.36090164 
Hf       3.43158997       3.03992998      10.49259996      -0.18554637       0.28551721      -0.18082515 
Hf       7.50394999       0.05335116      10.38279996      -3.24724826       2.49630934       1.90417927 
Hf       9.47194002       1.67211999       2.43483004      -2.30743147      -0.05192099       1.34603455 
Hf       5.26215997       5.16261002       8.26701005      -0.24002136       1.46708848      -0.29449703 
Hf       3.44326003       3.71792998       5.27086997       1.00536339      -0.90805099      -0.52524428 
Hf      10.86499999      10.50850004       5.38638995       1.59616261       5.12736072      -0.51122237 
Hf       9.35826003       1.52835995       7.74763001      -1.22709803       0.87042572      -1.72757435 
Hf       5.39488997       9.42925999       2.41062995      -0.06332445       2.89548987       0.52065897 
Hf       3.21893996       7.01837005      10.84586720       0.88541795       1.81034600      -2.24699259 
Hf       5.58239005       5.56573001       2.32277003      -2.14438843      -2.31518146       0.65951328 
Hf       9.16532002       5.40234998       7.58265002       0.63399961      -0.85298989      -0.40950305 
Hf      10.67799998       7.30101997       4.77262996       0.18287911       0.08838670       1.22065603 
Hf       5.58313001       9.24253001       7.65954998      -3.45483985      -0.23889543      -0.09691462 
Hf       7.24006999       3.42879005       5.27097997       0.87723491       0.24387790       0.81278689 
Hf       7.07294002       7.26733996       5.05104995      -2.04328470      -0.07101306       2.17077232 
Hf      11.07689999      10.55900001      10.32070002       2.18649122      -0.69620443       0.60418460 
Hf      11.26267362       3.60157000       5.07144001      -1.54991945      -5.55724487      -0.82345672 
Hf      10.87059994       3.14689002      10.61370002       3.45346974       0.83383347      -0.56872201 
Hf       1.59949995       5.40753004       7.85035000       0.73057459       1.08062240       0.13050701 
Hf       9.00857997       8.87186004       7.85739003       4.10328054       1.38794220      -1.10878474 
Hf       1.66889001       1.73702997       7.52889996      -1.22476502      -2.25642524       0.55481282 
Hf       7.49580999       7.56907004      10.54090000      -1.91091701      -1.39566650       0.31627360 
Hf       9.01319997       9.43523997       2.54123001       0.12708576       1.04224634      -0.16433325 
Hf       1.62563005       5.32412005       2.37365001       2.28419986      -0.94400176      -1.82363739 
O       5.38877999       3.62329999       6.74688998      -0.19482616      -0.61078330       1.57225270 
O      10.68859997       5.53643001       3.52366995       0.70061407      -0.20983112      -1.00639181 
O       7.20460005       9.79990003       3.69141002       2.15750180      -2.83089064      -3.50828276 
O       5.18412001       8.14194001       4.45596005       1.73419251      -2.50146270      -1.77910921 
O       7.54976999       9.10252003       6.18385997      -0.32577272      -3.26352899       0.68990332 
O       5.66243001       7.48390999       6.91918995      -0.01507559      -1.86012723      -0.44643138 
O       9.31941995      11.07359999       1.31249998      -0.92033261      -0.51688804       0.55921892 
O       9.33871999       3.18824000       9.45228997      -1.26404614       0.22747987      -1.18687370 
O       1.58179005       7.14171999       1.24629001       0.47198064      -0.25813374       1.53571108 
O       3.87128001       8.86592998       9.46422999       0.69339286       0.31848696      -2.97127812 
O       7.39885001       1.68132001       3.05929000      -1.00619521       0.22069559       0.79506828 
O       5.36785999      11.05130002       4.07149005      -0.98969248       0.75355165      -1.05455964 
O      11.14698370       8.83919002       0.72285505      -0.10840651       1.84724733      -1.56051805 
O       3.56810005       9.08838999       1.06744995       0.79244890      -1.58935255       0.99976877 
O       6.72215002       9.70003002       0.70644705       2.05947298      -1.97524114      -1.20052563 
O      11.05469997       0.94747103       8.28803000       1.66557869      -0.66762966       1.41674825 
O       9.33783999      11.08529998       4.17407998      -0.63152301      -0.63393812      -1.06138472 
O       7.36139996       1.57182003       8.76368996      -0.35001149      -0.43260146      -0.03859742 
O       3.30903001       5.35605000       6.19424997       0.34105681       3.83731246       1.16377723 
O       6.97774004       1.45601999       6.07814995       1.48276349       2.98635772      -0.77078448 
O       9.08560001       3.13756994       6.29288995      -0.23483574       0.73886713       3.34475107 
O       5.50938005      11.15794768       9.25568998      -0.03320559      -0.40622589       0.74309180 
O       7.20840002       5.39836999       0.83357201       2.09735628      -2.75739068      -0.25522008 
O       8.88527994       3.55947996       3.98597001       1.50729262       0.93815958      -2.42995899 
O       9.57432004       3.29025998       1.21586998      -1.24027764       1.14995843       1.50586446 
O       5.36468004       3.93661000       9.80716004       2.33025914      -0.73660984       0.36745830 
O       7.74639004       5.46193004       8.95125998      -1.63292800      -1.37543947       1.85857525 
O       5.45493001       6.77756001       9.78805004       1.11051211       0.00501733       0.91487399 
O       3.47032998       5.39781999       1.06758001       0.31080961       0.47267476      -0.27525090 
O       3.60604003       9.13947000       6.09419003       0.66890843       1.30004329       2.40903227 
O       1.24199001       7.35246996       4.32740000       1.53279679      -1.39154737      -1.29885492 
O       9.16006994       7.63273997       0.89670001      -2.07105167      -1.28430987       0.80715314 
O      10.82000002       8.81101995       6.15108999      -0.62246557      -1.46461299      -0.58371509 
O       7.29041998       5.36400999       6.37146002       0.98175838       0.37055403      -1.69659350 
O       7.24133002       9.00256994       8.63320999       0.12141520      -1.07067296       3.78983218 
O       3.87269996       2.23126999       8.58125998      -1.10907348      -0.45030098       1.82354307 
O       7.22100000       5.33142004       3.61438997      -0.72497864       1.12931953      -0.57869346 
O       2.81546998       9.34979996       3.70503001       0.93134832       0.06438763      -0.29533679 
O       3.32892997       5.04455996       9.08310996       0.13922217      -0.48416430      -0.84033506 
O       3.26655000       1.03135998       3.34163003       1.94184660       0.99681851       1.02972308 
O      11.10799997       1.60961002       5.85752002       0.39716272       1.11825832       1.98311240 
O      10.97629996       9.20366001       3.30791997      -1.64440380      -0.62667016       1.82960133 
O       2.41429001      11.15362764       8.09109004       0.53095838       1.05936315      -0.51076236 
O      11.04459995       1.24857996       0.01123870      -0.11456553      -0.32293735       0.65919521 
O      11.17234967       5.61362996       8.73376999      -2.07670589      -0.29251164       0.50148695 
O       0.01054996       8.96737997       8.69825001      -1.87139842       1.82255850       0.71113430 
O       1.24325004      11.04420004       1.73636003      -0.93744324      -1.20548391       1.06205114 
O      11.14250001       1.95807996       3.54172001       0.31475732      -0.63884271      -3.74709058 
O       1.83390005       3.53492001       6.60134999      -1.01772076       0.94895953       0.01818587 
O       6.50416997       7.10636999       1.78220000      -2.32997278       4.85416346       0.54170959 
O       8.69106002       7.39131004       3.69835998       1.64368256       0.48919487       0.55523647 
O       1.75147002       3.65820005       4.03442005       0.10336969       1.09655585      -1.37562521 
O       3.58277004       5.52222995       3.56915996      -0.49021109       1.19896075      -0.11652980 
O       7.15275004       1.94487002       0.59914898       1.27324670      -0.21459672      -2.67963449 
O      10.99879994       5.00251000       6.27156004      -0.59417777       3.88137977       1.31045880 
O       4.96954996       3.18312996       1.18651001      -0.56415593      -0.45422768       1.80485441 
O       9.35399995       7.33018004       9.36731995      -2.45544420       1.25484173      -0.02433536 
O       5.41015005       3.71955999       4.24566995      -1.17747426      -2.67716116      -2.05915451 
O       3.04348002       1.41274005       6.01424995       2.94048338       2.10749565      -0.62701634 
O       1.26555002       2.97415998       9.09689003       0.41096579       1.20915548       1.84429846 
O       9.22551004      10.80749999       6.91216997      -0.32358945       0.76150340      -1.61220118 
O       5.03459998      11.24515651       1.39098995       0.44124943      -0.22007448       1.29678475 
O       1.80391995       9.94981996      10.19650002      -1.43634308       1.21826195       0.13588379 
O       2.97071000       0.92558000       0.43141099      -0.61257686       4.64391473      -0.80082410 
O       1.54274997      10.92920005       5.52722004      -2.66307594      -1.64073409      -0.72164221 
O       5.73505999      11.06439996       6.50879003      -2.90848840      -3.47914761       2.79948900 
O       1.65233003       3.41106005       1.06315005       0.51026907      -0.36401056       1.13534646 
O       9.18576998       7.22730004       6.73911005      -0.51111717      -2.11873749      -1.37352445 
O       1.73011001       7.60530998       6.83067998       1.49557045      -2.50220095      -0.02919919 
O      11.13210004       5.29695998       0.59895800      -0.91645755       0.11804262       0.57613105 
O       1.85675996       6.96293995       9.43409002      -0.81660975       0.31458002       1.10338978 
O       8.99216997      10.82579999       9.31194997       1.92827013      -1.05732168       1.40409999 
108
Lattice="11.30956817 0.0 0.0 0.0 11.30956817 0.0 0.0 0.0 10.97201534" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.06540491191768613 0.0014492268891307494 0.004934979450675055 0.0014492268891307494 0.07031825670614604 0.010697891185955322 0.004934979450675055 0.010697891185955322 0.09014453338351947" pbc="T T T" energy=-1046.23150041 free_energy=-1046.23150041 config_type=crystal 
Hf       1.46915000       1.64499999       2.50617003       2.16391964      -0.15493359      -0.48266960 
Hf       0.04890280       7.49198996      10.75942739      -3.47113381      -0.69476954       1.52169772 
Hf       1.90890005       8.84031995       8.29598995      -2.48429171       2.20397314      -2.98727607 
Hf       7.41009002       3.57941002      10.35559995       2.87980605      -5.61884239       3.12703005 
Hf       9.05392999       5.20646998       1.93529004      -0.60820603       2.10632374       1.98578095 
Hf       3.62889006       7.11651003       5.14366005       0.94747787       1.13976500      -2.12972265 
Hf       3.42036005      11.04180001      10.57679995      -0.41601893      -0.15034825       2.25019278 
Hf       6.93781003      11.05019996       4.84297998       0.39090915       0.72971882      -0.65423891 
Hf       5.23615997       1.48552004       2.42920003       0.96509703      -0.94113375       0.21311042 
Hf       5.19061000       1.65714997       7.45910003       2.46965953      -0.27244914       1.86451029 
Hf       1.74899000       9.34427001       2.29203996      -0.95130554       1.80308367       1.99419786 
Hf       3.29215999      10.85609995       5.52867005      -1.20016026      -0.38876875      -2.17106476 
Hf       3.77791997       3.48692998      10.77839998      -0.86745114      -1.23415539      -0.11490453 
Hf       7.41118004      11.30800428      10.36690003      -0.49001508       0.04545471       1.08943767 
Hf       9.31843998       1.57425004       2.27026995       1.17693610      -0.70760395       0.22580286 
Hf       5.41256005       5.31266003       7.85087998      -1.52534579      -0.25661069      -1.67085662 
Hf       3.34043997       3.61349004       5.12416004       1.40616281      -1.21466813      -2.16771793 
Hf      11.11000417      10.65359998       5.29376995      -0.58732198      -0.06750504      -0.28841659 
Hf       9.06186003       1.44714000       7.36498998       3.26161660       1.55792124       2.89664848 
Hf       5.22664002       9.21686999       2.32933000       0.46947549       0.71791454      -0.78695171 
Hf       3.64917003       7.15022001      10.29909999      -0.91821118      -2.06153634       2.70972168 
Hf       5.40016997       5.29679000       2.07225996      -0.50972233       0.39457258       3.39317293 
Hf       8.85592999       5.41040999       8.14407999       5.10264440      -0.79831686      -0.90193602 
Hf      11.03350003       6.99783998       5.48768002       1.96663097       1.66312725      -0.34761851 
Hf       5.54078997       9.29390003       7.79887998       1.74666682       0.75648677      -1.19807055 
Hf       7.25794998       3.48713005       5.32850999       0.96143038       0.72755814      -2.29221751 
Hf       7.40325000       7.27553003       4.76016003      -1.93134894      -3.56546683       0.38984014 
Hf      11.01990005      10.99649998      10.55129999      -2.03533958       0.74073704      -0.03969119 
Hf      11.14829995       3.15617996       4.94656996      -4.56943141       0.66414228       2.69324599 
Hf       0.17204997       3.50370003      10.76240003      -0.67973079      -0.10141818      -1.68628142 
Hf       1.55407004       5.25751006       7.59854996      -1.41104789      -2.62103778       1.30538831 
Hf       9.26951004       8.91109003       8.07722004       0.80261670       0.92487785       1.49550473 
Hf       1.82410001       1.51447999       7.88697999      -4.35792019       2.91467564       1.33222190 
Hf       6.86960995       7.55266998      10.61649999       5.78101716       0.65056231       1.87219140 
Hf       8.91737996       9.33122002       2.56037003       1.41483690      -0.01979023      -1.91025751 
Hf       1.52249995       5.45982998       2.57388997      -3.51299477       1.87488370      -2.84266783 
O       5.85176001       3.52084002       6.79058995      -1.66182592       1.21543527       2.48455161 
O      10.76579995       5.41544003       2.78607997       2.02030016      -0.99883862       1.45133496 
O       6.92464004       9.41762003       3.39312998       2.37788957      -2.35158912       1.29402427 
O       5.20706995       6.80232005       3.83373001       2.19937405       0.51602956       0.90497931 
O       6.67930000       9.57630006       6.26585002       1.42060180      -0.81616730      -1.64129041 
O       5.36153004       7.42418005       6.79700002      -0.89496765      -2.44323619       0.04526934 
O       9.17087002      11.07479997       1.07897998       0.40192558       1.05890242      -1.49349772 
O       9.70514997       4.23307003      10.21569995      -2.10948687       1.00610887      -0.57980818 
O       1.22263003       7.66369001       1.66343005       0.17750368      -2.54670369      -2.08590182 
O       3.90092996       9.28584004       9.27392996      -1.09794374      -1.39589102      -0.11943615 
O       6.72550999       1.94237999       3.99442001      -0.11645752      -2.51416640      -0.91846569 
O       5.26263001      11.05530001       3.55735998      -0.66415612      -0.29540187       0.73982260 
O      10.92849996       9.34008005       0.67298699       1.01625752      -0.54087561       0.37253217 
O       3.61041995       8.98271002       1.12297995      -2.98834489       0.95998583      -1.21798171 
O       7.30693002       9.11009002       0.72055902       0.34761584       0.28227062      -0.62619271 
O      11.14683513       1.67304998       8.71431000       0.36728762      -2.60599202      -0.23656718 
O       8.61818997      11.29100001       3.28221003      -1.29884132      -0.53887720       3.22187743 
O       8.42940003       2.07392000       9.48765999      -1.77667239      -0.82258821      -1.20140435 
O       3.38666998       5.15811004       6.45771996       1.62932548       2.19913493      -1.40216884 
O       7.19433004       1.52322003       6.72139998       0.12820106      -0.13169484      -2.04177701 
O       9.22670004       3.55227995       7.06876005      -2.21938565      -1.11166762      -0.28629148 
O       6.34122002       0.00558828       8.52217004      -1.64294169      -0.53807448       2.00835274 
O       8.03941004       5.57273995       3.72159997      -0.80690503       1.66311170      -1.49998531 
O       9.26162003       3.20078004       4.16291001      -0.21066998      -0.64217349       0.04826334 
O       8.87513997       3.25165997       1.38621001      -0.48536359      -0.63960044      -0.21637886 
O       5.15072998       3.20366997       9.31951002      -0.08021744       0.45491740       0.84470863 
O       7.13201002       5.00266997       0.90852500      -1.76289179       1.28793052      -0.31800034 
O       5.31884004       6.98323005       9.40778997       0.76149711      -0.27721157      -0.97678643 
O       3.91936998       5.41262994       0.68733005      -0.61403016       0.17194683      -1.68149350 
O       3.42422001       9.15045003       6.47704003      -0.27868479      -1.53531719       1.50923689 
O       1.39235996       6.98245003       4.00284004      -0.10926867       0.58202922       2.84801815 
O       9.05991999       7.22250998       1.55988001      -0.23914904       0.63418980       0.20662652 
O       0.01683067       9.14235996       6.57297001      -0.38486316      -0.82139861      -0.65979082 
O       7.06232996       4.94357997       9.04822002      -0.83861439       2.23326885      -1.83001091 
O       7.38318999       8.83001004       8.93545996      -2.64331086      -0.79634356      -0.35788984 
O       3.38464003       0.87251803       8.99132003       1.62519827       0.62014921      -1.22436317 
O       7.40674002       5.49074004       5.98323000      -0.42134427       1.40834910       2.79380722 
O       3.78749001       8.83139003       3.92349997      -1.31299239       0.94067390      -0.45876971 
O       3.27473998       5.34439005       9.03497000       1.74424834       0.71448725       0.18455523 
O       3.62103997       1.89861999       3.71229998       0.06812475      -0.73308574      -2.00853868 
O      10.82229995       1.58006000       6.09218003      -0.00883975      -1.92942403       0.12372528 
O      11.00129999       9.47246996       3.49797998      -0.60123120       0.79888058       0.11079983 
O       1.74371996      11.05599996       6.96796004       0.70119009      -0.24785215      -2.03898452 
O      11.08103414       1.62125996       0.59291004      -0.24068842      -0.34224912       1.47723774 
O      10.86959996       5.18414002       7.90639004       1.75604139       1.23877154       1.45264836 
O      10.94589815       8.83249000       9.20986996       1.23172559       0.17913553      -1.43472187 
O       1.60081000      11.20419998       1.18510998       1.07306608      -1.18078168       0.48561613 
O      11.13749999       1.56104002       3.55678000      -1.29168843      -1.00403230      -2.39682571 
O       1.86821004       3.22151002       6.81645999      -2.53914059       2.54290506      -0.50885249 
O       5.49025995       7.38157001       1.16936996       0.08290654      -1.38476111      -0.51459910 
O       9.00805996       8.30770003       4.54444999       0.71223800      -1.14399718      -0.36824417 
O       1.59291004       3.04193998       4.19086001       1.71161286       1.66764205      -1.54075746 
O       3.32144001       5.47123002       3.25724003       0.92659191      -1.38818980       1.75165248 
O       6.69655998       1.48638997       0.47610603       1.06238357       3.00837626       0.12415245 
O       0.23542302       5.15711004       5.58855004       0.11428592      -0.24213682      -0.47229388 
O       5.00064002       3.26116996       1.60311995      -0.22748498       3.68231425      -1.33728567 
O       9.22621000       7.11547000       9.74988995      -1.06417269      -0.56916969      -0.30061299 
O       5.57291005       4.04201999       4.37656005      -1.93320199       1.03214195      -0.78809636 
O       3.62388003       2.11071002       6.32683995       1.72257990      -3.40390553       1.02434145 
O       1.57174995       3.12375000       9.36314001       2.26146061       1.55269393       2.26309532 
O       9.17684000      10.68530002       6.14587005       0.16868066       1.12240646       0.67954289 
O       5.62150003      10.86000006       0.90732104      -3.11595195      -1.08942911       0.41419124 
O       1.50542001      10.40320004       9.58981000       1.17077207       0.20447179       0.90746758 
O       3.61601004       1.52641001       0.56798195      -0.24574684       0.17367234      -0.06677051 
O       1.69215003      10.84910001       4.08920999       1.12939723       0.41485323       0.34209512 
O       5.07147004      11.27348624       6.29736999      -0.43635826       0.51114154       0.06701010 
O       1.54720004       3.41626000       1.49733996       0.47269743       0.01888066       0.32984575 
O       9.25168005       7.14585995       7.16685996       0.27412149       0.24032715      -2.40345536 
O       1.53294004       7.17018004       6.92164003       0.00876288       0.03707241      -0.91118953 
O       0.58233498       5.51711000       0.38875200       0.26669223       0.03633221      -0.22587100 
O       1.66519006       7.16329998       9.47928999       1.68971257       2.02395343       0.79493708 
O       9.06367997      10.78979998       9.28478995       2.16165827      -0.15849390      -0.60210402 
108
Lattice="11.31417442 0.0 0.0 0.0 11.31417442 0.0 0.0 0.0 10.97648411" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.039032812992099306 -0.006090301976275099 -0.0002267811646250181 -0.006090301976275099 0.053828149612455016 -0.0023631971786665083 -0.0002267811646250181 -0.0023631971786665083 0.054701207895693195" pbc="T T T" energy=-1035.71010599 free_energy=-1035.71010599 config_type=crystal 
Hf       1.85013996       1.55588997       2.62481005      -0.33940789      -0.74774374       1.69532599 
Hf      10.88559994       7.12390000      10.52250002       0.97895119       4.86353611      -2.80241484 
Hf       1.60735000       8.60973995       7.74151996      -1.78904526      -2.81082825       1.89938228 
Hf       7.20131996       3.60767001      10.66000002       1.29525686       0.92551545       0.19767286 
Hf       9.15282994       5.73837005       2.32253996      -0.58301347      -1.80965525      -0.70419863 
Hf       3.09837003       6.78346000       4.52619998      -0.80111993       0.82106243       2.91971318 
Hf       3.40611999      11.12150003      10.67490005       1.49780519       2.05121681      -0.23563468 
Hf       7.21849996      10.84210000       5.47799002       0.84374402       5.36298990      -3.08926732 
Hf       5.48761004       1.29310005       2.46193000      -0.63792483       0.07303660       1.67556074 
Hf       5.21008002       1.62294003       8.05027002      -1.14700076      -0.39229496      -2.28712348 
Hf       2.23505994       9.32331996       2.69158000      -3.84673188       2.58234196      -4.81102353 
Hf       3.60216001      10.64620004       5.59003994       0.51468827       0.14501054      -0.52487360 
Hf       3.41074002       3.31865995      10.89391362      -0.17012692      -0.62860515       0.95119800 
Hf       7.65871005       0.07668578      10.57410003      -2.25980085      -4.30801977       1.24689462 
Hf       8.93745999       1.53168001       2.35883996      -1.65494123      -0.27242554       3.25256543 
Hf       5.18666002       5.60937998       7.50256003      -0.66178665      -4.40022267       2.51097223 
Hf       3.64747000       3.08678002       5.42945003      -2.07613405      -0.72873156       1.95891547 
Hf       0.08499276      10.89250000       5.16173995      -4.40962751       0.81438755      -0.46844183 
Hf       9.15286004       1.71543001       7.63980999       1.47740554      -1.17023538       1.37293347 
Hf       5.67693997       9.29191995       2.75125003       0.44459967      -2.18755883      -5.86828590 
Hf       3.49886001       7.56390994      10.66050000       0.96020040      -0.16692480      -1.74770079 
Hf       5.03145998       5.67705005       2.31673000       1.21283685      -0.37602872      -1.81686125 
Hf       8.98770998       5.14835995       7.55277997      -0.45108426       2.16618380       0.57899566 
Hf      11.03140005       7.08379001       5.19212999       0.73397709       0.80556145       1.72848684 
Hf       5.65112000       8.78766994       7.78699004      -1.39122298       2.35150965       2.00004091 
Hf       7.05252001       3.62355002       4.83212996      -0.30328772      -2.28886070      -2.00681028 
Hf       7.18181998       7.27963995       4.86253998       1.62705626      -2.07237499       0.65741228 
Hf      10.91210000       0.06485364      10.75489996       2.18703676      -4.93064011      -0.86855482 
Hf      11.22958524       3.55841998       5.11459002       0.32213513      -1.63690814      -0.94268851 
Hf      10.95049997       3.78580004      10.33919998       1.59061604      -0.86627188       1.17261510 
Hf       1.72616003       5.22118002       8.25780998      -1.39979339      -1.06990959      -1.28735323 
Hf       8.96459003       9.13535000       7.60264998       5.39463927      -1.56393952       4.09783331 
Hf       1.59539997       1.36711002       7.88544000       0.46415657      -0.50227750       1.45570509 
Hf       7.54876004       7.38895004      10.68080002      -0.84821530      -0.02070159       0.86824210 
Hf       9.44293997       9.10429994       2.49745001      -0.40289878       7.26137127      -5.18482514 
Hf       1.40699996       5.14718995       2.21153005       1.72458956       0.62716587      -0.31413721 
O       5.42549002       2.47896005       5.71909003       1.90897226       0.35199498       0.82664617 
O      11.03660005       4.70689999       3.17179997      -3.51385702      -0.70735564       0.60762886 
O       7.55687999       8.45857003       3.22814995      -1.24894613       0.06316523       0.93957186 
O       5.15248001       7.68445998       1.20831003      -0.85276866      -2.01262028       1.72321381 
O       5.49861998      10.83089998       6.67026999       0.61647934       1.26277562       1.07447194 
O       5.31744995       7.28085000       3.89591995      -0.34807325      -1.21481491       0.03024608 
O       9.43009997      11.12990001       1.11462003      -0.51669017       3.57607952      -1.83798466 
O       9.32949998       4.01457004       9.32194005      -1.77471327      -1.02378881      -1.31485709 
O       2.09374002       7.36657004       2.17450001       0.01303659      -0.70480784      -0.62660562 
O       3.60587004       8.60520003       8.67759002       0.91637633      -0.54955108       1.53389578 
O       6.74977001       1.51270003       3.93891999       0.55361065       0.21007984      -1.00857256 
O       5.86635995      10.48109999       4.11882995      -0.94280731       1.10422197       4.02590501 
O      10.99939994       9.36425000       0.13315496      -0.13594779       0.60534615      -0.56168431 
O       4.13836996      10.39199996       2.41184002      -3.41057520       0.21880059      -0.39333746 
O       7.83462001       9.10891002       0.40853497       0.31598570       3.11031525       1.25230489 
O      11.12115042       1.68930999       9.04631998      -1.99275887       2.13079216       1.05661667 
O       8.60517005      11.00659995       3.32855997       0.88534125      -0.74118061       1.37838904 
O       7.39832994       1.87955998       9.60969000      -0.03043183      -0.29938287      -3.45390551 
O       4.15712004       4.98879004       5.67396000       0.30630186       3.53659704      -0.15275452 
O       7.61019996       1.20010998       6.56442002       0.66820600      -0.30734050       1.63705329 
O       9.41938001       3.04459998       6.27099994       0.22156586       1.02394485       2.24226916 
O       5.28261994      10.93710003       9.64902994      -0.34479832       1.32785814       0.47767757 
O       7.52080000       5.41990998       3.84083995       0.65934025       2.50579445      -2.35970961 
O       8.68760999       2.99876004       4.04325005       1.37713927      -0.02373583      -1.91079001 
O       9.39035995       3.29000997       1.21723995       0.89705975      -0.42602643      -1.57928602 
O       4.36494004       3.71411999       7.67562999       1.37039301      -2.63260538       0.63196361 
O       7.68858999       5.42936999       0.88413296      -1.24585037      -1.01213373       0.19092695 
O       6.26200000       7.09354996       6.70166998      -1.88001285       2.49024140       0.50433834 
O       3.27045003       5.33173998       0.69834005       0.89948807       0.44591330       1.00943951 
O       4.14761998       8.92882999       6.32615996      -0.20662192      -1.53902232      -0.03064956 
O       1.18534996       6.10465004       4.14537998       1.53171665       0.71070692       0.94545557 
O       9.28083998       7.15324999       0.79109102       2.99684056      -0.41623832       4.35028882 
O       0.67369403       8.73567995       5.58725005      -0.21972759       0.58291606       1.15273688 
O       6.76932995       4.68856005       8.47994998       1.05240687      -0.44443679       1.03001636 
O       7.34555995       9.41951997       8.83665004      -0.21661462      -0.07554077      -0.84880717 
O       3.76044995       1.66458999       9.29729005      -0.38900789       1.22794364       1.29094650 
O       7.58770999       5.39396997       6.18823001       0.51278279      -2.45212923      -0.70128415 
O       2.99853998       8.72672999       4.25403005       1.65899198      -0.46410276       2.02041055 
O       3.41419005       5.91272996       8.63029005       2.55369453       1.10043712       0.33500999 
O       3.54679998       1.17879996       3.88232996       1.29909946       1.55448486      -0.16258298 
O       0.08728218       1.29391003       6.55932002      -0.59230840      -0.99048545      -0.79899856 
O       0.05871977       9.42294997       3.00133002      -0.63735597      -0.32248433       1.21606769 
O       1.96003001      10.44650000       7.53253001      -0.87551650       3.04529278      -1.39977022 
O       1.64595996       0.62501400       9.98303996       0.56297400      -1.93343811       0.35700520 
O      11.20324641       5.75572000       9.18627004       0.23859827      -3.69308917      -1.95293047 
O      10.96679996       8.62428003       8.52650004       0.01422732       0.09716417      -1.30874023 
O       1.11884004      11.18489040       1.80957999       1.73260845       2.16149626      -1.60955892 
O      11.21462111       1.31663002       3.76548002      -0.80592402       1.09114571      -0.27877304 
O      10.81439996       5.05719000       6.41303005      -1.09465780       0.02408064      -1.36835664 
O       5.88064998       7.32402998       9.87204005      -5.18424439      -0.27984063      -3.89507513 
O       9.63213005       7.65822999       3.55714997       2.11805602      -8.31850109       3.27624842 
O       1.86871003       3.18584003       4.26238996      -1.35389896       0.60440402      -0.57936710 
O       3.45961001       5.35320998       3.36131995      -0.20340879      -1.70037571      -2.64681438 
O       7.22683998       1.67046001       0.94770602       0.97372747       2.54680753       0.85160710 
O       9.34226995       7.44819999       6.20946994      -1.26158066      -0.78582957       1.03682375 
O       5.31766005       3.82919997      10.90310390       1.29783534      -0.03680936       0.08617537 
O       8.69888999       6.95021000       9.22821997       2.56039881      -0.95978440      -2.72648938 
O       5.61815004       3.62513005       2.91545000      -0.18328264       1.65306377       0.09913787 
O       1.86643000       3.37141003       6.97105002      -0.90421110       0.06091855       0.32750506 
O       1.83815995       3.77016996       9.96964997      -3.77933242       1.59875286      -4.53972808 
O       9.65026995      10.17720002       5.99604000      -0.36951043       1.55811702       0.99669111 
O       6.30103005      11.06999994       1.59877002       0.41000598      -2.21933163      -1.01086018 
O       3.07721999       9.36524995       0.42970005      -0.73075816      -0.81195985      -0.34607633 
O       3.53125001       1.72793998       1.18394004       1.23550008      -1.62306011      -0.41845579 
O       1.74670001      10.94880002       4.48674995       5.42489814      -0.61174510      -0.83219675 
O       3.41586002       0.91448195       6.85262002       0.46601754       2.61845780      -0.31435020 
O       1.53511997       3.20667995       1.19485001      -0.44929048       0.07767121       2.96668301 
O       7.51287000       9.27885005       6.42166997      -4.07370130      -4.03409714      -2.09942980 
O       1.20302994       6.62772005       6.86724004       2.09822873       0.85458553      -0.05721873 
O      11.25191795       5.31699999       0.57937802       0.50606125       1.66078521       2.58956164 
O       1.56243997       7.50905996       9.84713001       0.83107723      -0.70295730       0.90226839 
O       9.28624997      11.09319999       9.16433003      -0.01238964       1.37772013       0.87253281 
108
Lattice="11.32434536 0.0 0.0 0.0 11.32434536 0.0 0.0 0.0 10.98635148" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.06157887109271193 -0.004105733496919593 0.010840551718528735 -0.004105733496919593 0.0714327385596563 0.007594881027488776 0.010840551718528735 0.007594881027488776 0.08837347434847802" pbc="T T T" energy=-1038.82415687 free_energy=-1038.82415687 config_type=crystal 
Hf       1.43778996       1.66586998       2.50460996       0.81201923      -2.26970752      -1.95147388 
Hf      11.08620004       7.13066000      10.22769996      -0.93612850       3.56191936       1.23793494 
Hf       0.94240500       9.18889997       7.73423005       0.16194911       1.44859594      -0.17102168 
Hf       7.18755000       3.43755996      10.29910004       1.07002644       0.54976082      -1.10891524 
Hf       9.10580996       5.04429998       2.19472003       0.41267290       1.31809273       0.68118277 
Hf       3.59541997       7.21581001       4.87061996      -0.88465155      -0.83134680       1.61265248 
Hf       3.64702003      10.96080001      10.53030001      -2.17701633      -0.81001573       0.64429411 
Hf       7.15834995      10.97079998       4.72581996       1.55222720      -2.96972638       3.00896680 
Hf       5.02463004       1.43706996       2.46754004      -1.39077609       2.62734137       0.00899627 
Hf       5.59384996       1.31709996       8.14054005      -2.68818923       1.09864204      -3.25020488 
Hf       1.66102995       8.98549004       2.08910000       0.26193453       2.97712613       1.03574647 
Hf       3.30325005      10.83179998       5.44533996      -0.10169988       0.11905003       0.99877210 
Hf       3.31810997       3.36084001      10.66899995       0.05280277      -3.39550678       0.23843552 
Hf       7.30349000       0.03478216       0.04530914      -0.93300105      -2.13519126      -2.69193754 
Hf       9.31370999       1.63140999       2.33077995      -1.89766120      -0.83336172       0.51555699 
Hf       5.42080003       5.24896997       8.07053996      -1.03138674       2.44239550      -3.70549975 
Hf       3.33886002       3.24270002       5.23008998       0.41484310       0.57840959       3.48326012 
Hf      11.07639995      11.18349995       4.99753001       2.05192403      -5.98693875      -3.15155395 
Hf       9.60408999       1.48877998       7.86344998      -3.59421667      -0.51433294      -1.18914023 
Hf       5.16705996       9.15547005       2.40985004       1.98011829      -1.94922939      -1.33459608 
Hf       3.52522998       7.14651000      10.57819995       1.98799096       1.38574790      -1.65089125 
Hf       5.38236000       5.00479998       2.74073994       0.56663925       0.54096558       0.78699179 
Hf       9.31633996       5.26559999       7.59844995      -2.14719431       0.95842434       0.41115235 
Hf      11.08632132       7.06306996       4.75598002       0.63324964       3.25456381       0.15985563 
Hf       5.25512996       9.07091003       8.08550996       4.19101376      -2.10882936      -2.52735383 
Hf       7.36839005       3.12742996       5.63044998      -1.05022698       5.90897849      -4.58100247 
Hf       7.39489004       7.03005995       5.03244002       0.21502680       1.28325735       1.68218163 
Hf      10.70540001       0.05330279      10.44469996       5.90844336      -5.09539039       1.85275018 
Hf      11.00800000       3.88830004       4.98376005       0.53277011      -2.14935426       2.92240330 
Hf      11.10120004       3.79253006      10.35870001       1.03256619      -0.86501466       0.18633857 
Hf       2.08493995       5.72484002       7.41835004      -2.57567891      -1.80156706      -1.27813967 
Hf       8.97098004       9.28253996       7.67598997      -2.99552793      -0.84895124      -0.83595408 
Hf       1.59689996       1.48913998       8.18012003       6.11307448      -1.11656679      -2.18057279 
Hf       7.63120002       7.25580001      10.64159999       0.42073143       1.81301369      -2.51692375 
Hf       8.94186005       8.99942997       2.38639001       0.92076412      -0.92485839       1.11337866 
Hf       1.90704003       5.62010002       1.89767996      -1.68299298      -0.43670816       0.71236244 
O       4.86562004       3.40449004       6.94689999      -0.98782365      -0.74890910      -0.10781524 
O      11.00190003       5.20123004       3.56880004      -0.01253593       1.41770994      -1.07922133 
O       7.27679003       8.93218000       3.59254001      -0.48892387       1.80300014      -0.92973693 
O       5.13193003       6.99405000       1.61681004      -0.22980997      -1.22071861       0.32640148 
O       5.05605000      10.81112240       6.99754003      -0.05761870       1.71088031       0.51642537 
O       7.20522005       4.79341998       0.73682603       0.50760098       2.05063118       3.12828267 
O       2.04670001      10.75469999       3.96201002      -1.89979758       0.27900348      -0.01820064 
O       9.65456996       3.28201996       9.01458000      -0.21144970       0.15240557       0.59765303 
O       1.39709004       7.31953003       3.51714002       2.91224394      -2.70405825      -0.90304458 
O       3.39376996       9.13085998       0.73281096       1.75857123      -0.35681214      -0.54693349 
O       7.60084002       1.21414999       3.58819996      -0.44452119       0.33156540      -0.70647814 
O       4.98288001      10.57350004       3.97255000       1.67613439       1.95270680       0.96859000 
O      10.98539740       8.58963996       3.28993997      -2.18988326       2.19825915      -1.49422410 
O       5.17631999      10.95209997       1.44410998       1.73715371       0.71218937      -1.10593380 
O       7.25296995       8.86798002       0.80660903       0.08029138       0.03682114       0.38330644 
O      11.24244917       1.37025994       9.02976995      -4.41936684       1.19009327      -0.54903652 
O       9.31766004      10.80270004       4.07624995      -1.32901319      -1.82467568       0.59826590 
O       7.34976003       1.68671006       8.99846995       0.33648916       1.87262083       0.37037903 
O       6.07293001       7.04246996       7.43492998       0.07959350       2.48357924      -1.20234818 
O       6.42917003       1.73399996       6.22051000      -0.55355012      -5.48311578       1.64973153 
O       9.14958003       3.52041000       6.47236002       1.68677929      -1.69600962       1.23677796 
O       5.50714001       0.03825466       9.63262995       0.09338979      -1.34964188       2.61898899 
O       6.95828002       5.23252996       4.03765995       2.23982137      -0.27483085      -2.51846863 
O       9.37486995       3.35062001       4.01780003      -2.02198437      -0.37964128      -3.54211812 
O      11.28190001       1.57904996       0.78116101      -1.38219814      -0.44000508       0.42044786 
O       5.27106003       3.69907997       9.49499997       1.33526849      -1.22925282       2.47353670 
O       9.34056002       3.24922998       0.82562805       0.87003066       2.22814991       1.90685139 
O       5.56783001       7.06767002       4.28118001      -2.55718341       0.36276717       0.27887900 
O       1.76254999       7.37406004       0.92837900       0.55523151      -2.59338216      -1.13592981 
O       3.71044995       8.80215002       6.16740000      -0.53916234       0.35138727      -0.49126488 
O       3.98303001       5.75504001       6.54052001      -0.94490142       0.56784264      -2.12727829 
O       9.38255997       7.24146996       0.88922397      -2.06279384      -1.64073003      -0.30336062 
O      10.78060001      10.01109998       8.62455002      -2.94468337      -0.52842817      -1.75912058 
O       7.89345001       5.27955997       9.15280995      -1.33697146      -0.72779624       1.89426069 
O       7.28999002       9.34917999       9.05579003      -1.39821197      -0.70825593      -0.34755688 
O       3.47908996       1.49453999       9.06541001       0.31830867      -0.08231235      -0.40104839 
O       7.00820000       4.90441000       6.60686999       1.34180851      -0.59131595      -0.01917433 
O       3.61755001       8.51885997       3.22678998      -3.01784531      -0.40925380       0.95602976 
O       3.33096004       5.90423000       8.73815000       1.72782801      -0.56447756       5.07059463 
O       3.42575002       1.93197001       3.66630995       0.46149755      -1.43087370      -2.08244818 
O      10.58590337       1.19799004       6.04696003      -0.71633002       4.71523124       4.47757077 
O      10.95239995       8.89750995       6.11294999       0.29453158       0.27955569       0.42148353 
O       3.73546000       9.28324003       9.17288003      -1.28040719      -0.11824918       0.99776331 
O       1.36438000      10.99830240       9.24699001       3.48012163       0.42538881       0.89295515 
O      11.05319999       5.51470003       8.86150003      -0.43177667      -0.65182311       3.29690044 
O      11.13923637       9.21133995      10.94427463      -0.19747460      -0.33392991       1.11292235 
O       3.41648003       1.24853999       0.68532904       0.42676591       2.85016739       0.72618215 
O      10.88030000       1.11599997       3.33260997       1.79883458      -0.20357765      -1.27880815 
O      10.93928432       5.29874001       6.50650000       0.80890222       0.38332212      -3.47898625 
O       5.18257001       6.94790998       9.59900996       2.76007761       0.77221672       2.47427305 
O       8.97298003       7.08569997       3.48984004      -0.37251925      -1.96704182       0.61870664 
O       1.09348003       2.65596995       4.25802001       0.77760438       1.54034079      -0.61536668 
O       3.16237995       5.03777002       4.06749998       1.03127844       0.47848522      -2.98636357 
O       7.19763002       1.83154005       0.84671404      -0.98699533       0.34470026      -0.44728158 
O       9.10802002       7.24391002       6.45737003      -0.95600100      -2.10012810      -0.15292955 
O       3.59131999       5.19854005       0.27296096      -2.32027980       2.41821517       1.77857926 
O       9.20510001       7.78887998       9.21907995       1.08194340      -2.01052036       1.65305604 
O       5.87883006       3.13210998       3.98931001      -2.09063609      -0.19503182      -1.86261576 
O       1.75645002       3.88818001       6.75845000       0.45024750      -1.54614434      -1.59274347 
O       1.55574004       3.16207997       9.41076003      -0.58317195       1.06362948       0.95791450 
O       8.46372003      11.22940092       6.98135000       2.16082365       2.28521486       1.30368555 
O       8.62464000      10.98840005       1.50427003       1.64558757       0.63056425       0.24965141 
O       1.82553996      10.91595731       1.36710005      -1.57452569       0.06574908       1.36744693 
O       4.34415002       3.27834997       1.56883001       2.47156310       0.73870904       1.12791866 
O       1.37775994      10.72679997       6.58003000       1.39242435       1.21471182      -0.80672037 
O       2.70571995       1.52077001       6.08674996       0.76010025      -1.57102367       1.26710068 
O       1.46988995       3.59626998       0.91391701       1.30915844       0.48231293       2.00036118 
O       7.47078999       9.36922001       6.20965999      -0.72790699      -1.26043921      -1.88368451 
O       1.62449003       6.81606006       5.92309002      -0.78486212       2.46326948      -1.92287386 
O       0.05047204       5.68268005       0.91229399      -1.27770483      -1.49702149      -1.80029152 
O       1.37298005       7.56449000       8.89241002      -0.79165828      -0.44400463       0.89847001 
O       8.95091002       0.02403694       9.78942002      -1.45196666       1.20634802       0.01303085 
108
Lattice="11.33326032 0.0 0.0 0.0 11.33326032 0.0 0.0 0.0 10.99500036" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.08146284905519949 -0.008644553365835759 -0.0013884452445007242 -0.008644553365835759 0.07794446321257917 0.002462520073492262 -0.0013884452445007242 0.002462520073492262 0.08034601469576008" pbc="T T T" energy=-1038.73871589 free_energy=-1038.73871589 config_type=crystal 
Hf       1.33433002       1.41001999       2.38556005       1.62733887      -0.07819869      -1.57957195 
Hf      11.01429999       7.44387997      10.39340001       0.23235227      -3.07569201       2.21821185 
Hf       1.64532998       9.59546000       7.84869997       1.35421931      -3.67460256      -1.41682188 
Hf       7.23179999       3.45484003      10.32600000       1.71482937       7.17146464       4.93800731 
Hf       9.44202001       5.08104003       2.07016000      -3.63221038       1.92342078      -3.83747632 
Hf       3.68104001       7.16501003       4.88541005      -3.53369573      -1.15510261      -0.39969648 
Hf       3.40548005      11.15848728      10.60449995       2.59959165       4.65443319       2.29224462 
Hf       7.19748004      10.81809995       5.14248998      -1.76495835       0.94465797      -1.90448228 
Hf       5.29817997       1.51075998       2.23157001      -0.34248631      -3.91056742      -0.43256241 
Hf       5.41192001       1.81560995       8.04264002      -1.86410998       2.51807176      -3.31215547 
Hf       1.93094004       9.00760005       2.23720000      -2.08872824      -3.08727907      -1.00000815 
Hf       3.24608001      10.69050001       4.73667001       0.44433140       2.79079952       1.59541322 
Hf       3.34063001       3.42588004      10.82897234      -3.09121378      -2.72138371       0.41469697 
Hf       7.16484003      11.18375535      10.17330000       0.57618783      -1.40342424       2.69845276 
Hf       9.04498995       1.19158001       2.30245005      -0.86751524       1.33854927      -1.18522463 
Hf       5.40574995       5.75059001       7.64268995       1.06167247      -2.03655717      -0.85540571 
Hf       3.51463998       3.18745000       4.84226996       1.04034337      -0.01592226       2.96963991 
Hf      10.52340004      10.78099995       5.47059003       3.54132345       2.20824745      -3.00294165 
Hf       9.24742997       1.68424998       7.66893996       0.50533539       2.56875008       1.36910513 
Hf       5.44393998       8.68654000       2.16624003       3.78084294       2.33188787      -1.38845845 
Hf       3.32268005       7.41182996      10.23610004       0.12693975      -0.72093563       0.57119655 
Hf       5.38758002       4.92692005       1.95620001       2.69581694       4.32267913       0.11642595 
Hf       9.34116997       5.36312001       7.77153002      -0.71140835      -2.49454571       1.12645707 
Hf      11.06199998       7.10936995       5.32019997       2.03651502      -0.43730304      -0.77352912 
Hf       5.41824000       9.38529999       7.85141002       1.15459019       1.06382833      -2.48351895 
Hf       7.12593000       3.48593997       5.14705005      -0.18285450       0.09158314       0.70353973 
Hf       7.35178998       7.33384002       5.00367997      -0.53831768      -3.08375842      -0.68306673 
Hf      11.32173303      11.13572329      10.73520005      -3.95335197       0.44119935       0.36464446 
Hf      10.97300000       3.04100002       4.75224003      -4.61900756      -1.20213327       1.79488404 
Hf      11.14410005       3.46707995      10.48990005      -1.18399340       1.37241576       1.07630347 
Hf       1.86344005       5.29739005       7.85752005      -1.63555489       1.54528399       0.28059763 
Hf       9.43499996       9.24835998       8.13700999      -1.81501277      -0.90676684       1.34265394 
Hf       1.66718005       1.70068004       8.05751999       2.05015615       4.99344131      -1.63061066 
Hf       7.14682003       7.30757995      10.16499999       1.11195294       1.54174693       4.16597596 
Hf       9.08543994       9.07854003       2.58922000       1.18835027      -1.55396799      -2.88599644 
Hf       1.43282002       5.12114005       2.62672999      -1.22515098       1.15085862      -0.28983563 
O       5.21286002       3.95396996       5.91982001      -0.95970766       0.27120361      -0.05511078 
O      10.76549027       5.64575996       3.42908003       2.14988125       0.62834157       4.01209375 
O       6.86662999       8.98107002       3.88368998       0.73378001       2.52773079      -0.02310622 
O       5.27633001       7.06165999       0.13312296      -0.50244682      -2.04680271      -1.01258739 
O       5.40196000      10.57170002       5.65235003      -2.52919634      -0.23889112       1.36125184 
O       7.42371005       4.78875004       1.26032995      -2.44806603       0.15550567       0.56271815 
O       1.55712004      10.79620001       2.96457997       2.65068378      -0.66078915       1.84136248 
O       9.31216000       3.45925003       8.83236999       1.44366962      -1.41491400      -1.25173224 
O       1.73652997       7.25739004       3.35305004      -1.45647427      -0.31993598      -0.09633123 
O       3.78634005       8.57750996       1.23086995      -2.73010027       2.16609767      -1.20699179 
O       7.16374002       1.46872004       4.00814998       0.06766237       1.03703533      -0.69775484 
O       5.30983000      10.86750004       2.87747999      -0.20491884      -0.02077821       0.09116366 
O      10.48169999       8.86068994       4.24462000      -0.11560891       0.23995864       1.89826305 
O       5.29135996       0.13429800       0.45070101      -0.75568977      -0.59044450      -2.44506679 
O       6.97440000       8.82132998       0.52357796      -1.17653637       0.09677508       1.47402945 
O      11.22280002       1.53313002       9.66195002      -0.55376385       0.53568535      -1.69383913 
O       8.99066997      11.06220001       3.65281004       0.04397142      -2.11319816       0.76251307 
O       6.96524001       1.88271996       9.52526996       0.30089507      -6.70860890      -2.62610109 
O       5.36821998       7.01502997       5.85130995      -0.02084876      -0.32213413       0.63872335 
O       6.51146998       1.71680001       6.44701994       1.11486411       0.00848659       1.41913579 
O       9.09516003       3.36888994       6.09599005      -0.33198362      -0.92465440      -0.02350787 
O       5.77538005      11.28964109       8.59568996      -1.41924952      -1.86398567       0.09395990 
O       7.28906004       5.14824003       4.19248995      -0.36097655      -0.88031050      -0.90603356 
O       9.65121001       3.27516003       3.21239001       0.39451995      -1.62439814       0.48235266 
O      10.88639995       1.39249004       1.08074004      -1.21984404      -1.41986854       1.53689910 
O       5.73676003       3.76451003       8.55684001      -0.81319667       0.77670055       0.29382988 
O       9.41302998       3.60048002       0.45982004      -0.30178807      -0.80642235      -0.03571076 
O       5.39452005       6.92479001       2.89303000      -1.19034579      -1.88114325       1.77429150 
O       1.67727005       7.96477996       0.35756401      -1.06571718      -0.35066958      -0.36153974 
O       3.20049005       9.32492001       6.57901998       0.80559572       0.50016778       0.05858504 
O       3.57340996       6.67790004       8.00402997       1.07454205      -1.56484169      -0.81944638 
O       8.17488999       7.17358001       3.19358999       3.26493256       1.11661802       0.03899653 
O      11.18559995       9.43599004       9.51215997      -1.60492634      -0.85102463      -0.15235044 
O       7.75919995       5.04901995       9.28841996      -0.66217562       4.28610485      -0.22696671 
O       7.17058996       9.48832001       9.05600995       0.84100577      -1.43784963      -0.25538293 
O       3.45837997       1.71596997       9.52836000       1.08988234      -2.13821267      -1.10795422 
O       7.48275997       5.49040000       6.51606998       0.71967869       1.40604133       2.70973367 
O       3.38734004       8.92272005       3.84058001       1.04553610       0.78140590       0.22909203 
O       3.48445996       5.01139001       9.76451996      -0.94935402       2.97418821      -0.00888242 
O       3.61977999       1.35454005       3.46191000      -1.50855723       0.85919555       3.85326763 
O      10.89540003       1.44045002       6.57248005       1.06532803       0.89541774       0.31644000 
O      11.20520003       9.55149999       6.94185005      -2.21379998      -0.02507909      -0.01189889 
O       3.50099995       9.62828996       9.37585000       0.41674814      -2.55675466      -1.16536275 
O       1.39979002      11.26828357       8.69231996       1.01991871      -1.41810917       2.02744644 
O      11.13861135       5.55170999       9.19164999      -0.90627035      -1.09693236       0.29415902 
O      10.97779998       9.34942002       1.76995998       0.80319490      -0.55413921      -0.90785154 
O       3.18180003       1.56226002       1.12716005       2.38350688       1.06548923      -0.29995803 
O      11.22920002       1.05442999       3.69964005      -3.33385456       1.02151346       2.72009582 
O      11.21830003       5.01779999       6.69961996      -1.39093559       1.02602811      -1.25564890 
O       5.76815997       7.61837002       8.70108001      -0.20347530      -1.89322093      -1.55174217 
O       9.48915005       7.80561996       6.51962004       1.28464078      -2.52657629      -0.30853148 
O       2.25169001       3.42975998       6.96058003      -1.28853327       2.73760685      -0.19199986 
O       3.00633997       5.31488996       4.66116999       0.18752723      -1.85015959      -0.56057198 
O       7.11833003       1.75699999       1.24435004       2.55891216      -0.35234282       0.36913515 
O       9.15702002       7.51730000       9.31747996       0.62010652       1.49439079      -2.68030683 
O       3.11859002       5.53224999       2.00675997       2.44985734      -1.49075108      -2.58425027 
O       9.15211997       7.03074002       0.74875205       0.60294160       0.56214389      -0.36853509 
O       4.90879000       3.69398996       3.32564995       0.06269401      -2.35387087      -0.13190857 
O       1.73584000       3.27617005       9.50115001      -2.32260015       0.70677572      -1.12840248 
O       1.27812997       3.20450996       1.26111005       0.28708553       2.52761040      -0.36935128 
O       8.75341995       0.26595501       6.44760004      -0.05565969      -4.19008467      -3.10859753 
O       8.86260005      10.44499995       0.78647897      -0.09142375       2.83177969       0.61450772 
O       1.65299002      11.30989998       0.60730302       0.91471998      -2.07278384      -1.00334471 
O       5.22876999       3.60642001       0.38776299       0.69663351      -0.31322537       0.37371310 
O       1.36498003      11.21309727       5.78507002       0.49293078      -1.65653911      -0.46674416 
O       3.47520998       1.57986998       6.53248001       1.08218549      -1.36905044       0.33623429 
O       1.37817001       2.96061003       4.03866000       3.22629118       2.30444500      -1.34734399 
O       7.25049998       8.83502997       6.37154004      -0.05278991       2.55914502       1.82386084 
O       1.72326994       6.86101005       6.28079005      -1.97172437       0.81606153      -1.46091971 
O      11.05256833       5.49672997       0.84134798       2.93095110      -0.68208547       0.78321061 
O       1.34975005       7.29594998       8.96617002       1.18204817       1.53168013       0.08868293 
O       8.92527003      11.20582132       8.91611000       0.91009718       0.71907440       0.05283065 
108
Lattice="11.34188961 0.0 0.0 0.0 11.34188961 0.0 0.0 0.0 11.00337209" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0650709055709122 -0.0062024489753433314 0.008118128857419913 -0.0062024489753433314 0.07064944589160242 -0.002982703054057697 0.008118128857419913 -0.002982703054057697 0.057963220255722765" pbc="T T T" energy=-1042.95524397 free_energy=-1042.95524397 config_type=crystal 
Hf       1.80020003       1.10739998       2.20845996      -1.51183611       2.08573460      -3.24220383 
Hf      11.09150004       7.07950995      10.28109996       0.92039564       0.84504246      -1.63186711 
Hf       1.79484995       9.30642000       7.89915995      -1.24861575      -2.36421230       2.22844056 
Hf       7.26267002       3.65768001      10.54869999       0.71018166      -0.25792267      -1.44994210 
Hf       9.01655000       5.21621998       2.04742000      -1.65624281       1.60517329       4.46687114 
Hf       3.02663995       7.06887001       5.32050001      -1.49987304       1.02245131      -3.60999703 
Hf       3.88305004      10.92350001      10.51110004       0.33116898       0.38537196      -2.67500320 
Hf       7.48991997      10.88399995       4.72039997       1.33164439       3.74647369       1.90801719 
Hf       5.36816002       1.99255995       2.35809999       1.29503138      -4.80243621       3.99155767 
Hf       5.40019995       1.60417997       7.79223997       1.60318142      -4.30681111       0.60346215 
Hf       1.36498995       8.80715002       2.20004998      -0.40347247       1.58517137      -0.50644745 
Hf       3.66881003      11.07619995       4.79706003       0.07487722       1.18511211       2.63697855 
Hf       3.58103004       3.16143003      10.49390001      -2.42859960      -1.40760082       0.63758048 
Hf       7.60407995      11.07030001       0.23563501      -0.84193651      -1.23933369      -2.09340786 
Hf       9.30667996       1.65430998       2.25885002       0.86982114       1.15703684       0.11372135 
Hf       5.18018997       5.54960995       8.34101004       2.78222253      -5.76064447      -1.14511075 
Hf       3.54159996       3.80023996       5.25040996      -0.71987301      -1.97465491      -0.44676588 
Hf      11.03149997      11.05090005       4.87627000       0.33145509      -0.97305925       0.54419821 
Hf       8.93618999       1.62358004       8.00507995       2.99604831      -1.21802206      -3.84845847 
Hf       5.07096996       9.26402005       2.09413999       5.55172698      -2.12689244       0.30144742 
Hf       3.51010002       6.89645004      10.62400003      -2.09721621       0.84337291       1.82680040 
Hf       5.23588001       5.54832004       2.28733004       2.83874079       2.19269815       1.15154013 
Hf       9.14480998       5.26042001       7.84232996       1.16065042      -0.08623437      -2.32036863 
Hf      10.84729997       7.35168003       5.11646998       0.88895411      -1.59356691      -0.06305961 
Hf       5.12151997       8.94668997       8.03058995       5.48021285       1.21960530      -7.32312831 
Hf       7.29350998       3.31705006       5.21439999       1.28266405      -0.00730152      -0.03427369 
Hf       6.99770000       7.27448997       5.28645998       1.80737947      -1.77685603      -3.14312655 
Hf      11.21406958      10.92160001      10.40490000      -0.63935842      -0.22194117      -0.60035711 
Hf      10.90020002       3.62275005       4.75408999      -0.64329022       1.58059289      -0.06815578 
Hf      11.17346062       3.26943998      10.52430001       0.77053360      -2.01688425      -0.74157510 
Hf       1.84632999       5.55366003       7.60776997      -4.87097743       3.92816996       4.84173942 
Hf       8.86760002       9.04349005       7.62137003      -0.01835016       3.51485743      -1.07165961 
Hf       1.59874006       1.33408001       7.33969999      -0.70111022       3.79824325       1.30360198 
Hf       7.12533005       7.29925997      10.29640004       4.26694930      -0.13708019       4.05394573 
Hf       9.25243000       8.88285997       2.31736001      -0.73118992      -2.02226366       0.28436904 
Hf       1.40777995       4.96825996       1.99357005       0.33600679      -0.07198508       2.25443984 
O       5.35508997       3.26269995       7.05178004      -1.01352498       4.93254731      -2.08894496 
O      10.95889997       5.51830996       3.26570005       0.48708588      -1.76396786      -1.47960807 
O       5.53890003      11.07990001       4.68737995      -0.76342291       0.03437471      -0.70086246 
O       5.16251001       7.35406001       0.92429800       0.20684851      -0.86903611       2.25949434 
O       7.21053997       1.49663005       6.22413995       0.00065935       0.28823776       0.30464133 
O       7.19328000       5.35217000       0.49586399      -0.85210478       0.76566658       0.34221851 
O       1.26223005      11.03840004       3.37261002      -0.36579232      -0.34582092       5.14787219 
O       9.37766000       3.55859000       8.93487997       0.58023301      -0.81266677       2.84117987 
O       1.27985001       7.53689003       4.05069998       3.97424474      -1.40078898       1.28969949 
O       3.65520997       9.38212995       0.78390796      -0.66890978       0.56445564      -2.60930432 
O       7.69876998       9.55272002       3.40448998       0.71314708      -0.11239358      -2.19247432 
O       7.66125997       1.47708003       3.70488996      -3.58816910       2.10380136      -2.48193961 
O      11.14699999       8.99243997       3.38753994      -3.43929999       1.70162226      -1.13041623 
O       5.83928998      11.22850758       1.88655004       0.37817787      -0.61956405      -1.81167711 
O       7.45883004       8.97268002       0.70321099      -0.40935242       1.89550347      -1.32563821 
O      10.92740003       1.05974998       8.73471004       0.65302617       0.30904393      -0.56081865 
O      11.26084353       2.33266001       2.69938003      -0.41014330      -0.08137966       2.20231784 
O       7.31055003       1.98974002       8.69869996      -3.11516806       1.00644316       2.97229755 
O       5.75637997       7.51190997       3.57881002       1.23564226       1.98999519       1.06092421 
O       9.56970994       0.67722003       4.02073999       3.07479760      -3.00008462       1.60442136 
O       9.04725000       3.53399001       6.47108005      -0.00139758      -1.63788474       0.53211374 
O       6.06947000      11.12779999       9.64514995      -2.21494423      -0.44977278       2.46255032 
O       7.19163996       5.41931001       3.24456004      -1.56042284      -0.53897625      -1.82023975 
O       8.94442000       3.82564001       3.89760005       1.88351320      -1.28437086      -0.34597914 
O      10.77670000       1.50524001       0.47772900       0.02695019       0.01046656      -2.03372876 
O       5.33277003       3.73028999       9.86739001       1.86337039       1.17477143      -1.59190606 
O       9.23976995       3.71366006       0.87334303       1.15861399      -0.96698243      -1.23272842 
O       4.10378000       6.04138997       3.88781002      -2.23740824      -2.31622987       0.03851379 
O       2.23731997       7.11058004       1.51048999      -1.08842783      -1.03718341      -0.82222690 
O       3.39560999       8.78523998       6.03816998       1.24419579       1.77873975       1.26341120 
O       5.45108001       7.00225002       7.25740995       0.55255224       4.80638651      -3.70454070 
O       9.15648997       7.59635998       4.26590998      -2.76602568      -0.74484712      -1.70758331 
O       0.12896205       8.94212996       9.21057001      -2.00862276       0.93792852      -2.08128611 
O       7.33486999       5.60512997       8.90304997      -1.04183015      -0.75480632      -0.21881834 
O       6.96122006       9.00883003       8.60541997       2.67221060      -2.20845222       1.06319577 
O       3.94893996       1.63818998       9.16717997      -0.44863639      -0.38933334       0.01308491 
O       7.25856006       5.29031995       6.12200995      -0.33073548       0.80368233      -0.61145021 
O       3.67433999       9.81654995       3.14622004      -3.32173648       0.49968344       3.36843350 
O       3.38133997       5.28221005       9.07562003      -0.93913543       0.09943438       1.06733988 
O       3.50440004       1.63284001       3.03399995       0.03489961      -1.51606317       1.58510453 
O       9.00852005      10.85770763       6.75380003       0.23466987       1.62513753       0.15454645 
O       9.09882996       7.30619996       6.80970002      -0.20143329      -2.28459797       1.13591145 
O       3.73892003       9.07878000       9.07224002      -5.61270699       1.14761439       3.71197751 
O       1.70082001      10.78510003       9.44727004       1.92953215       0.88136348      -0.90880212 
O      11.21933959       5.56007001       8.61944003      -0.32396293       0.36522220       1.40292136 
O      11.08199996       8.63364996       0.61195705       0.02961566      -0.42827908       1.91887118 
O       3.64168998       1.06136995       0.62987098      -0.85030379       1.75815107       0.74687957 
O       0.21058203       1.58959997       5.79159002       0.26282729       0.26104206       0.36228711 
O      11.02650001       5.11801997       6.14768005      -0.03661957       0.74305365      -1.79988739 
O       5.32652995       7.08457002       9.69091000      -2.37591792      -0.40584802      -2.34535454 
O       7.41558999       9.19048003       5.79919995      -1.19223974      -2.38826878       2.87352167 
O       3.60716005       5.49777003       6.49923999       0.49452100       1.56634451      -1.01764311 
O       1.77174005       4.00200004       4.07874999       0.69582103       0.53850238      -0.04368511 
O       7.56139996       2.05269998       0.62757898      -0.48299855      -3.43864040       1.19056869 
O       9.17862004       6.89943999       9.92371000      -0.03793226       0.92843241      -1.55552166 
O       3.62313998       5.17294001       0.65163697      -0.98872572      -0.46464236       0.63760090 
O       8.85277005       7.05232004       1.43954003       1.34733171       1.22982517       0.69745999 
O       5.25206999       3.30269996       4.02249998       0.29157201       0.64136575       0.60429586 
O       1.62697002       2.71562005       9.38109004      -0.97170496       1.13407410       1.39177511 
O       1.75813999       2.98139999       1.10527002       0.32909566       2.68110693      -0.60516648 
O      10.54660005       9.11600998       5.84475996       1.03597910       3.39519087       1.13126018 
O       9.25295002      11.00920000       1.61477995      -0.95953447      -0.11472093      -1.14282630 
O       1.13282998      10.64579996       1.12757000       0.52982067       1.21743461      -1.53126161 
O       5.16154005       3.36115004       1.21985000      -0.34416930       3.16715934      -1.54891255 
O       1.75286000      10.93399999       6.56874003      -0.73043755      -1.81700957      -0.65426552 
O       3.34236005       1.85738005       5.73312998      -1.43392842      -0.88589402       0.45887318 
O       1.99821003       3.90614996       7.01566004       0.04952607      -6.95464674      -2.61689062 
O       4.38375001      11.24680000       7.04741005       0.74166683      -1.53956235       0.19618619 
O       1.14285995       7.48198995       6.80956996       2.07379441      -0.69545688      -0.97323470 
O       0.12049204       5.18587997       0.52407004       0.01836521       0.21510770      -1.20724528 
O       1.89761994       7.40794000       9.29518000       1.15821307      -1.33584888       1.52404935 
O       9.07972999      10.79809999       9.61912995      -0.45259825       0.07570420       1.81126535 
108
Lattice="11.35031217 0.0 0.0 0.0 11.35031217 0.0 0.0 0.0 11.01154327" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.06477324638414797 0.009536953892368269 6.9649811731917645e-06 0.009536953892368269 0.06088937139857185 0.0070393409275742195 6.9649811731917645e-06 0.0070393409275742195 0.10277587415910446" pbc="T T T" energy=-1039.18289809 free_energy=-1039.18289809 config_type=crystal 
Hf       1.49116996       1.39125997       2.71487001       1.17393840       0.16093781      -3.25819104 
Hf      10.60340000       7.07699001      10.45129995       0.91289739       2.09613404      -2.88901305 
Hf       2.16876998       9.21105005       7.83954006      -2.87362193      -1.92982057      -1.10692312 
Hf       7.35998995       3.68629003       0.44444196       0.27211984      -4.13423050      -4.57381909 
Hf       9.16561997       5.46294997       2.58591999       0.22752715       0.09717487       0.96129816 
Hf       3.70798002       7.21337003       4.65670005      -2.35747933       0.57239964       3.13267681 
Hf       3.51120000      10.84989995      10.67570001       0.24685109      -0.85215756      -1.93824580 
Hf       7.56021003      10.73059999       4.97114998      -4.71749249      -0.99694321       0.16347714 
Hf       5.03689001       1.29231000       2.27356997       1.47737923      -1.24021815       0.83167009 
Hf       5.21743999       1.40463995       7.87901005      -1.32616269       0.42925706      -1.34446629 
Hf       1.60735005       9.01681999       2.21184003       0.20505988      -2.11905991       1.42853346 
Hf       3.61935996      10.87409995       4.93041002       0.92396700      -1.30731129       0.70800360 
Hf       3.50294004       3.44583003      10.57229997       0.22152179       0.37748031      -0.92378479 
Hf       7.47865996      11.09240005      10.26520003      -2.54392840       2.10796454      -1.94914292 
Hf       8.93025003       1.36575003       2.18430996      -0.21592206       1.54442392      -2.48083479 
Hf       5.22623001       5.70251999       7.77155005       0.49615217      -1.32449897      -3.47822981 
Hf       3.69076001       3.61315997       5.13362001      -1.02748558       0.91050230       1.46396297 
Hf       0.04562689      11.07240000       5.17389000       1.59714566      -0.43208231       1.93235869 
Hf       9.30115995       1.50643999       7.27784002      -2.95311699       0.15165561       1.85489463 
Hf       5.47341995       8.91460998       1.94958999      -0.48262077       1.50408531       1.46446676 
Hf       2.95039004       6.98332996      10.29389996      -0.56357145       3.51270775       2.34221295 
Hf       4.87657003       5.23221004       2.02972000       0.42959971       1.26869581      -0.13100196 
Hf       9.27285999       4.88429006       8.23753996      -1.39777872       1.77067517      -0.83504820 
Hf      10.77750005       7.24572001       4.95013004       1.73473374       0.27882694       2.38468267 
Hf       5.62521006       9.07098005       8.13011002       1.61986413       0.15524609       0.59959016 
Hf       7.33191995       3.61206001       4.94493997      -1.60738479      -3.69510523       1.59043439 
Hf       7.17738999       7.07502005       4.85965997      -2.13305966       3.50174509       5.68066624 
Hf      10.77260001      11.19136614      10.36619999       2.29267980      -1.65184445      -1.05562021 
Hf      11.16804818       3.15388003       4.86313995       1.15063019       5.54483225       5.16466832 
Hf      10.85910006       3.33276004      10.79470000       1.12683904       0.96313985      -2.10776058 
Hf       1.18583998       5.69468997       7.50476998      -1.09479172      -1.77668776      -0.80612326 
Hf       9.35553998       9.33356998       7.64626996       0.33004946      -2.07273195       0.94378892 
Hf       1.78379996       1.94924995       7.90311003       0.06895566       1.85643662      -0.63418784 
Hf       7.34514000       7.33856999      10.82353031      -0.53683405      -0.33551715      -2.17492123 
Hf       9.47930004       9.21284000       2.15621995      -3.75535999      -0.39979792      -0.19107721 
Hf       1.29057998       5.09680002       2.43068002       0.82915569       1.14266815      -1.19964339 
O       5.53378000       4.07880006       5.87470998       0.09949779      -2.24553165      -0.43828905 
O      10.91909996       5.45623002       4.10765999       0.46938340      -0.72856143      -2.47590573 
O       5.54104999      10.74319998       3.44194999      -0.99755123       0.52530545      -0.80725412 
O       5.74858001       6.83458003       0.93532996       1.24750880       1.44302296       0.24548145 
O       7.67900001       1.71045005       5.99065999       1.34803891       2.00097373      -0.53747437 
O       7.36876999       4.88507005       1.81709998       0.68198939       3.32513145       3.61833597 
O       1.71066003      11.11859997       3.79965997      -2.58873997      -0.48685204       1.51601649 
O       9.41406003       3.13145000       9.45762005      -0.53798056       0.38465271       0.96010083 
O       1.28853000       7.75225005       4.04097001      -1.24581625       0.46716200      -2.12250410 
O       3.92032995       8.60818004       0.46958495      -0.87518904       0.83045603       1.02700573 
O       7.23349004       8.78895998       4.10011995      -0.22771280       4.07775610      -1.50804812 
O       6.87669003       2.31057000       3.03491005       0.38366475      -0.47795643      -0.24430585 
O      10.59849995       9.70495003       3.64788005       1.37911981       0.40106345       1.80751507 
O       5.23775001      11.12370001       0.72919805       0.73863779      -0.49597917       4.39136017 
O       7.32986997       9.07696995       1.47607998      -0.49511721      -0.21356782      -2.11487182 
O       0.03617821       1.70689002       9.20574003       0.71619207      -2.86996597       1.69166843 
O      11.07599998       1.67482006       3.75967001      -1.04283377      -4.50331839      -1.64110392 
O       7.06350005       1.18047004       8.30931000       1.44298755      -0.10572236       1.73368940 
O       5.33226996       7.01293997       3.60729998       1.56537091       0.38942386      -2.41890405 
O       8.32203004      11.19824012       3.07395996       0.25962395      -1.95544496       1.65271973 
O      10.12110004       3.27356998       7.13773003      -0.87878360      -1.32898210      -2.55021098 
O       5.46283998      10.86429998       9.64355998       0.92869636      -0.59840850      -4.33290933 
O       7.49289995       5.36280003       4.28619003       1.95036605      -0.85392892      -4.25494789 
O       9.27528998       3.60283005       4.07129999      -0.12425988      -0.43212514      -0.54920133 
O      11.21383216       0.80633605       1.37413004      -1.15443968       0.55068758      -1.60257279 
O       4.49260996       3.46598002       8.39330000       0.78777386       0.22429487       1.67442863 
O       9.38145002       3.16777996       1.21238996       0.63801755       0.56745555       0.12483983 
O       3.13706000       5.92118999       3.00177004      -0.83522861      -0.54195446      -0.72955138 
O       1.48676003       7.07262003       1.17038996       0.88181755       0.79510577      -0.32191362 
O       3.66311996       8.91315997       5.99761003       1.20705239       0.38013595       1.13005317 
O       5.25725995       6.77592003       6.04253999       2.37932798       1.82029618       2.05704892 
O       8.96738995       7.47512003       3.38924995       2.78779509      -2.87931707       1.10716535 
O      10.11399996       9.06431004       9.50192004       1.06634743       0.24066956       1.22851635 
O       7.63217997       4.94115001      10.03390003       0.59831080       2.31267325      -0.79409091 
O       7.29110003       9.11475003       9.50029000       0.49306248       0.11727407       0.28052639 
O       3.53898999       0.95632895       9.05109997      -1.67401693       1.38883291      -0.38850257 
O       7.38528004       5.43297005       6.78453004       1.04718988      -0.57617792       2.04704929 
O       3.17998995       9.33135996       3.68556001       1.10077448      -1.63768724      -3.27878002 
O       3.22554999       6.33903006       8.51256999       0.78267511      -1.68214668      -0.89395284 
O       3.41035997       1.40876000       3.50641002       1.56662230      -0.28596935       0.32670230 
O       9.40709003       0.06692507       5.77486997      -0.06672084      -0.98784370      -0.37140755 
O       9.39107996       7.82303002       6.29030996       0.16309365       1.55640571      -1.12654095 
O       3.77579995       9.06773999       8.94312001      -0.01226093      -0.03475712      -0.32336835 
O       1.65766996      10.28019997       9.84422003      -1.47951364       0.94407862      -0.77636939 
O      11.02090001       5.24023006       9.20259998      -0.21875794       1.09857728       3.61919421 
O      11.02769998       8.86709995       1.04992004       1.57447798       1.01862068      -0.05881502 
O       3.91448000       2.02177004       0.77968796       0.05223298       0.04121193      -0.36285156 
O       0.76991301       1.47436004       6.17221005      -2.80717368      -0.12448475      -0.63260225 
O      10.59539996       5.77059995       6.85929996       0.84719761       0.10010034      -1.03309024 
O       5.67405000       7.29732999       9.17376999       0.22678632      -1.57448733      -1.45665757 
O       7.09375998       9.08864999       6.42714996       0.48921595       1.72451928       2.92773928 
O       3.50429004       5.48841995       5.79680001      -2.13513479      -0.41127949      -0.29817150 
O       1.53198001       3.44197002       3.61963005      -0.44347585      -0.33375905      -0.86089857 
O       7.45346000       1.56454996       0.34679204      -0.08634242      -0.24488182       0.99412094 
O       9.04738003       6.92159005       8.95892003       0.29549976      -0.17661823       2.65721048 
O       3.59716000       5.36337005       0.35831595      -2.27318529       0.31666705      -0.69375511 
O       9.00284004       7.32617998       1.06582005       0.67979953      -2.05653330      -2.75390314 
O       4.54365005       3.75504001       3.34656998       1.08743603      -0.10028460      -1.60997816 
O       1.44195001       3.80377995       8.83830002       3.09682717      -2.15039482       0.14183406 
O       1.58955004       3.41973998       0.86951605      -0.47638357       0.67542194       0.04312018 
O      11.08020005      10.12730003       6.98189004      -0.25457428      -1.00374064      -0.18490222 
O       9.03876003      11.03989997       0.50408202       1.91958302      -0.84846413       1.54176051 
O       2.43995005      11.30195496       1.22929004      -1.24631745      -0.85787387       1.83465048 
O       5.43036004       4.04754005       0.22462700      -0.69971037      -1.09191246       1.19698749 
O       2.09454995      10.68229999       6.59021000       0.53235973       1.94761666      -1.39300127 
O       3.37383001       1.97515000       6.33471995       0.66174413      -0.70424348       1.10715734 
O       1.35630998       4.07333999       6.05669005      -0.13380792       0.07021515       0.82046023 
O       5.64192998       0.07445669       5.91002003      -1.51745157       0.05610955       1.28283014 
O       1.32041995       7.43262003       6.57658002      -0.11858356       0.80637819       0.11786277 
O      10.96340000       5.22734995       1.18964001      -1.57743106       0.26073022       0.18702720 
O       1.06666000       7.74688997       9.22998998       0.82531288      -2.20647077       1.83313019 
O       9.25115002      11.24110219       8.90801003      -0.52537296       1.26961890      -0.55305276 
108
Lattice="11.35896929 0.0 0.0 0.0 11.35896929 0.0 0.0 0.0 11.019942" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.08195989027379023 0.0036646311422696303 0.006764896846758432 0.0036646311422696303 0.06777600144095175 0.007523440414441479 0.006764896846758432 0.007523440414441479 0.11962136753955561" pbc="T T T" energy=-1039.38766666 free_energy=-1039.38766666 config_type=crystal 
Hf       1.77314999       1.45335002       2.46328995      -2.37210871       1.14952871      -0.47132449 
Hf      10.76739996       7.53642998      10.22830000      -0.93924348      -1.91822602       1.13480246 
Hf       1.84399997       9.17393001       7.50853005      -3.69679909      -1.26399551       3.64635440 
Hf       6.93183997       3.36924999      10.04059997      -0.59707654      -2.43180931       2.15506717 
Hf       9.08932001       5.35150997       2.24314005      -0.65696766      -1.13518717      -2.71737141 
Hf       3.52345004       6.88446001       5.03551004       2.04330572      -0.94990314      -1.33074129 
Hf       3.55014998      10.79380002      10.25979996       1.37373870       1.77848570       2.11069454 
Hf       7.34508995      10.62909997       5.20911997       1.13866055      -0.13545361       1.30727787 
Hf       5.25124003       1.55265002       2.13618005       3.87256917       1.22109682      -1.51385423 
Hf       4.89317999       1.47225998       7.68400995       1.99707548       1.88121637       0.52529764 
Hf       1.45956996       9.30812999       2.18690000      -1.43684220      -1.02298622       1.99491544 
Hf       3.46442997      10.53589997       5.06996003       0.43568506       5.97494334      -3.32002999 
Hf       3.26967999       3.06785996      10.63129994       2.95963191      -0.19321369      -0.46956551 
Hf       6.94009999      11.11270002      10.62229996       1.92720330      -1.47651681       1.54152417 
Hf       9.33767001       1.94508003       2.42981996      -0.18369204       0.13793410      -0.51749954 
Hf       5.40089002       5.58805005       7.94451003       0.30095975      -2.43878008      -0.47885211 
Hf       3.42382995       3.49162005       4.77860004       1.47956417      -2.02935145       2.41487616 
Hf      11.08459998      10.62739998       5.29802005      -1.46820916       3.05073849      -3.51025239 
Hf       8.94283996       1.34734005       8.04418001      -0.52818597       1.44399157      -1.04278792 
Hf       5.38959000       9.17574995       2.59843995       1.45890360       0.88564816      -0.84327563 
Hf       3.45268003       7.39930995      10.73219996      -1.82443686      -1.34306660       0.81437371 
Hf       5.06791001       5.35319996       2.20986996       0.46129151      -1.28295024      -1.90341095 
Hf       9.19344995       5.18929003       7.50102999       1.26496569      -2.18467925       2.91990922 
Hf      10.84990004       7.32231000       5.15425003       1.11179061      -1.10972685      -1.87599077 
Hf       5.20011002       9.21248997       7.74700997       5.58991239       0.57727514       1.31597789 
Hf       7.16707003       3.01022001       5.19443998       1.65196495       0.30559000       0.74062030 
Hf       7.09025000       7.02878003       5.15852003       1.76137470      -0.28195849      -2.60418685 
Hf       0.11497606      11.30294345      10.36550004      -0.32983255      -3.03470669       2.54125191 
Hf      11.27164824       3.18059001       5.03195005      -2.98551619      -1.96509871       1.28095053 
Hf      10.96280002       3.45410001      10.70369997      -1.29696929       1.00233845      -0.06405116 
Hf       1.90162004       5.35626994       7.99697002      -1.53646437      -1.26142365       0.38549636 
Hf       8.80751000       9.31511996       8.23905005      -1.49835433      -2.00860266       2.35414028 
Hf       1.69632996       1.58345997       7.61842003      -2.56618874       1.92232515      -0.93247383 
Hf       6.97738001       7.33637001      10.86015504       2.03130710       5.41602493      -1.04935918 
Hf       9.22285003       9.57859000       2.12384995      -0.74947094      -1.12799607      -0.83558500 
Hf       1.47135001       5.47987995       2.09761995      -1.60409958      -0.34357489      -3.37012421 
O       5.09337001       2.95951005       6.03068001       1.21520401       0.29850281      -0.80212777 
O      10.55719996       5.87475998       3.29646005       4.20005045       1.93649529       3.53144961 
O       6.36607005      10.89849996       2.71744001      -0.62926732       2.41622135       0.84262951 
O       5.08762998       7.82598998       1.15622003      -1.02754476      -3.07737189      -2.36322806 
O       7.65690002       1.19398999       6.35448999      -0.98632761       1.03326085      -3.63967222 
O       7.48721997       5.93090998       0.85977400      -0.28898200      -2.43751037       1.86573252 
O       1.43163996      10.82269997       3.96031998       1.86573458       1.06399370      -0.40328893 
O       8.87824003       3.57616997       0.78401697       0.06663105      -0.49469592       2.09317712 
O       1.93137997       7.67468999       5.54674003      -2.41020302       1.56058381       1.59859849 
O       2.55035997       9.45298002       0.47785003       0.35475818      -1.54401559       1.28500498 
O       7.56165995       9.03679000       0.98630002      -0.26830425      -0.93785697      -0.07876345 
O       7.49108997       2.47054004       3.10175001      -1.76444350      -1.76152936       1.21708463 
O      11.19733025       9.15898002       3.86239997      -0.74696353      -1.75032900      -0.48851049 
O       6.62449001       1.59432005       0.36063003       1.24630323      -1.53440367      -0.77221131 
O       6.92349999       9.26755995       9.00364999      -1.12713918       0.64878628       0.21733354 
O       0.13880695       1.32881005       9.12879003       1.13522124       1.41188090      -2.04096575 
O       1.48366995       3.39032997       3.76921997       1.12124131      -0.18997531      -0.50378136 
O       9.55195004       2.71879997       9.55616002      -2.21718528      -0.97478202      -1.35058220 
O       5.59051995       6.82413002       3.52075995      -0.66956191       1.69420045       1.86935587 
O       9.15156000      10.93999996       4.18944000      -0.64438084      -0.22639698       0.21097954 
O       9.00706005       3.27815003       6.89663995       0.07744116       1.56045781      -0.58410484 
O       5.27673001      11.03580003       8.97175001      -2.13403706       0.82776478      -0.25882693 
O       7.93621004       5.83180002       3.66933995      -1.63846622       0.05500248       1.43206184 
O      10.98353729       1.32578005       3.79704995       1.11630951       1.98349478      -0.68817236 
O       1.85035997       0.78855896       0.59650098      -1.19666678      -2.13901070       0.22802494 
O       4.97083002       3.12592996       8.83696995      -1.15505749       2.83090028       1.30422485 
O      10.99791025       2.03612001       1.17168002       0.21830408      -0.81216085       0.03270271 
O       3.50427996       5.67850005       0.79721401       1.06886252      -0.82012308       2.43521946 
O       1.74923004       7.14299004       3.03916005       0.37431107       1.96198307      -0.66218324 
O       3.52652003       9.35428000       6.55834999       0.27804769      -1.05414137       0.84993310 
O       5.26923003       7.30367004       6.46703004      -1.17746076      -1.53895349       0.29217017 
O       8.49956005       8.36324004       3.71056004      -1.35909094       0.19570685       1.47836416 
O      10.83899998       9.54930999       9.40650998      -0.54302953      -2.81469189      -0.25919920 
O       7.42267001       4.65384003       8.65299004      -0.74443244       2.27809991      -0.33781144 
O       7.27657004       8.68467001       6.59808999       0.91621712       1.37913810      -0.93387778 
O       3.17403997       1.39101995       9.18064998      -0.53047444      -0.39531018      -2.26302687 
O       6.87426000       4.86699995       6.04991003       0.00566031       2.62628474       0.00294437 
O       3.40934999       9.58513004       3.28702995       0.95101179      -1.13192821      -0.81459648 
O       3.77394996       5.48853003       9.17776001      -1.54565188       0.95043728      -1.36327652 
O       3.69120998       1.11527995       3.34872003      -1.44365409       0.45058829      -1.41090698 
O       9.01940998      10.76599997       7.07962002       1.48910522       1.81548200      -4.52778596 
O       9.35227003       6.69528001       6.21736003      -3.00622678       1.22647094      -0.85432154 
O       3.75211995       8.76181002       9.18154998       0.53043926       0.73509370      -1.63205472 
O       1.77800004      10.52000002       9.23579003       0.27586828      -0.59321416      -0.91480676 
O      10.40759995       5.37291004       9.37682997       0.32136717       0.84242589      -0.92631042 
O      11.01304029      10.04560005       1.10815005       3.50947763      -0.35774293       1.63503174 
O       4.20711006       1.21582000       0.48504297      -1.16363615       0.56186665       0.30179593 
O      11.03999228       1.71366999       6.49221998       1.58014357      -0.02719705      -0.35692478 
O       0.02099444       5.54194002       6.66302996       0.77220942      -0.31550799      -0.69375375 
O       5.85527003       6.80817999       9.31464995      -0.77732448       0.73105562      -0.04926057 
O       5.67588999       9.46585996       4.68106000      -1.15208458      -0.30349235      -0.17913834 
O       3.24520005       5.51925003       6.42001996       1.36569955      -0.03901081      -0.42984462 
O       3.57454996       5.24723997       3.56649998      -2.47843342       0.96384017       1.56447206 
O       9.31772003       3.53236002       4.14775002       2.50305442      -0.83675955      -0.26031948 
O       8.60413004       7.47029999       9.36905000       2.36797616      -0.03085894       0.66247477 
O       5.32895003       3.65715999       0.54230303      -0.89119490       1.44560491      -0.01473174 
O       9.91733003       7.66866996       1.01211004       0.60735993      -0.01644724      -0.99540123 
O       5.16859001       3.54324998       3.24627997      -0.80052677      -1.20368712       0.20712313 
O       1.71906005       3.67611005       9.45762995      -0.94954648       0.80143617      -1.32443427 
O       1.98730995       3.37967003       1.09840005       0.68310370      -0.17280356       1.63272725 
O      11.02466131       9.01736003       6.37663996       1.15066773      -1.29716772       1.97724701 
O       8.85751002      11.17584623       0.81986605      -0.70548018       1.51789950       2.12601494 
O       5.36608000      10.10799998       0.41311404      -1.70490692       1.36215348      -0.29524921 
O       6.83913000       2.02533001       8.52133005       2.85676301      -2.41996436       0.63100562 
O       1.54194998      11.13100000       6.74129998      -0.10198495      -2.41377134      -1.12422268 
O       3.26116997       1.51073996       5.67131000      -1.53478741      -2.13375614       2.15292504 
O       1.91408004       3.54603997       6.48770004      -0.77264213      -1.58827856       0.71894476 
O       5.47659005      11.34950647       6.44929003      -0.56195541      -2.77660098      -1.32128974 
O       1.47357001       7.24051997       8.67397002       0.12338228       1.13996711      -1.72941325 
O      10.98680004       4.91755997       1.03459998       2.00769870       0.78861948       1.05127034 
O       1.50056005       6.80249005       0.17073196      -0.80283374       1.09461757       0.85075814 
O       8.82328999      10.99683728       9.35919002      -1.29318282       2.16320084       1.01680156 
108
Lattice="11.36767498 0.0 0.0 0.0 11.36767498 0.0 0.0 0.0 11.02838785" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.08693003970464629 -0.00590772758578503 -0.001051583519648872 -0.00590772758578503 0.07905706371295966 0.0009657964109021656 -0.001051583519648872 0.0009657964109021656 0.08908443216374762" pbc="T T T" energy=-1038.10287325 free_energy=-1038.10287325 config_type=crystal 
Hf       1.74661996       1.65086003       2.40322996      -3.15819324      -1.36936891      -0.42243710 
Hf       0.26567802       6.85406006      10.48720004      -0.11215528       1.70489305       0.23184734 
Hf       1.51023996       9.29203995       7.72444000      -1.66150354       0.80430679       2.41322713 
Hf       7.33991005       3.51494001      10.48150002       2.58031964       0.14590509       0.94591949 
Hf       9.14173996       5.64362002       2.01281996      -0.31703708      -0.22342044       1.20270744 
Hf       3.29296001       7.26397000       4.96111994      -2.42382455      -0.50160292       2.56199033 
Hf       3.35623999      10.89800005      10.94898423      -1.86261402      -1.32691868      -1.38434645 
Hf       7.12490003      11.19678995       5.14255005       1.80876140      -0.85790276      -2.07845745 
Hf       5.23957000       1.23899995       2.32742998       1.30121437       0.66631672      -1.41523663 
Hf       5.08108005       1.67515002       8.37708996      -1.32356695      -1.70945001      -1.53178578 
Hf       1.76026003       9.15246002       2.57198999      -4.55900858       0.77446885      -5.44737545 
Hf       3.28874999      11.10659995       4.87294004      -0.72948042       0.82622485       1.53286932 
Hf       3.53253001       3.49769002      10.92385682      -1.43974281       1.48178553      -2.76224123 
Hf       6.99320006      10.70790001      10.54229997       0.18735115       0.40085319       1.41237503 
Hf       9.16582000       1.47425001       2.03096000       0.34071459      -0.00531541      -0.13042330 
Hf       5.41892997       5.36799005       7.62482995       0.02125240      -4.34289099      -5.54052224 
Hf       3.29430003       3.61114999       5.09570995       0.51171098      -3.46859006       3.70569928 
Hf      10.84369996      11.09910002       5.07354002      -0.56277793       4.06973961       1.75556365 
Hf       8.79776003       1.30684997       7.84377003       1.95588057       1.47062907       2.09093203 
Hf       5.26768999       8.75042003       2.57356000       2.74202057       3.64662757      -4.28522509 
Hf       3.73582996       7.76790006      10.83513388      -2.49832057       0.67355954      -0.65898843 
Hf       5.28104996       5.20524996       2.38505000       2.80590955       3.78374735      -2.79263354 
Hf       9.50577998       5.56465003       7.59116999      -1.94893982      -1.26390163       0.40003221 
Hf      11.11909996       7.65645001       5.18615001      -0.56944238      -1.28850576      -0.20592639 
Hf       5.39462997       9.38463001       7.61518000      -1.51562673       1.64419182       1.79295174 
Hf       7.19863998       3.41994001       4.82413998       1.92828042      -0.21597213      -1.00550437 
Hf       7.16036001       7.31021996       5.32161997       2.31715472      -0.44673735      -0.65182830 
Hf      10.68200002      10.85190004      10.09510005       2.68657422       1.43347015       2.95504831 
Hf      10.82389997       3.40177003       4.73423005      -0.23034203       0.34332590       0.18964994 
Hf      11.35704143       3.27507002       0.04654355      -2.97319928       1.06254308      -0.89382734 
Hf       1.72722000       5.08334995       7.78178001      -2.02392388      -2.05875891       1.53154202 
Hf       8.98230002       8.87389003       7.91422003       2.74783188       0.88790556      -2.22101156 
Hf       1.62110002       1.29143995       8.00405000       0.60236804       0.89957562       1.37428924 
Hf       7.35320000       7.23646000      10.40960001      -0.35138122      -0.44382967       2.49965640 
Hf       9.17274996       9.19960995       2.07454000      -0.58609347      -0.18142579      -0.27129483 
Hf       1.65602004       5.32577005       2.57268997      -2.52074664      -0.53405870       0.06253383 
O       5.27423004       3.55461001       5.78216996       2.38980027      -0.08348136      -1.01597364 
O      11.23173293       5.42618004       3.73738996      -0.34339028      -1.21968366       1.00239412 
O       3.10533005       9.16742000       3.94691003       2.41538190       1.36638293       3.19147618 
O       4.64426998       7.37452996       3.65121005       2.63555145      -2.04207342      -1.25951227 
O       7.28817997       1.53280002       3.80590999      -2.46848010      -0.93920835       1.28723705 
O       7.23785004       5.38946995       1.28354002      -0.10978290      -0.16645963      -0.26926494 
O       1.45845997      11.22767695       3.89336996      -0.02144577      -0.08551659       1.02680925 
O       9.42506005       3.55448997       0.71917297      -1.56623664      -2.62170079      -1.44542194 
O       1.56374999       7.83011000       6.11325000       0.89334274      -0.43518101      -0.15477899 
O       2.34216995       9.30208000      10.20300003       2.47415212      -1.08515320      -0.96308962 
O       4.86896003       9.24479999      10.19140004       0.66127749       0.14658214      -2.78480802 
O       5.21510005      11.09549999       3.51458002      -1.00793611      -0.84458925       0.25393443 
O      10.85660000       9.40863001       4.34916000       0.80226846      -4.89547971      -1.54193256 
O       7.50753006       1.39772998       0.88998505      -1.89760632       1.63186054       2.71753504 
O       7.13557996       8.91944997       6.88826003       0.29489867      -2.06144428      -4.15921553 
O      10.86790004       1.20299000       8.77334997      -2.26746672       0.65371528      -1.16674537 
O       1.82374997       3.46868005       3.74000004      -1.12076354       0.26775078      -0.83424713 
O       8.57405999       3.20764004       8.82729996       1.38109028       0.05338397      -1.61989265 
O       4.85961001       7.14127005       6.45698003       1.23248084       0.76840083      -1.29607550 
O       8.90204003      10.92079997       0.63672596       1.11288728      -1.12557076       2.76860874 
O       7.59319003       2.02120001       6.51414998      -2.05793378      -0.72865708      -1.64039964 
O       7.39305996       9.10201005       9.03446999      -1.32160101      -3.19118336       3.82918223 
O       6.72188003       5.65284000       3.76363002      -0.20884063       0.90252289       3.06495147 
O      11.14510000       2.07503004       3.21758994      -0.26893199       0.21986438       0.32349737 
O       2.09621996      11.00679995       1.55257997       0.44029688       1.57780498      -0.17627167 
O       3.44233001       0.82866997       9.23642999       2.18927375       0.41072350      -0.13582445 
O      11.23272999       1.14338996       0.80921700      -0.76738409       1.81595391      -0.94448710 
O       3.09677997       5.33256997       0.92154003       1.15116272       0.00610262       1.24024985 
O       1.53746997       7.18601003       3.43721003       1.11053205       1.17279557       2.00153105 
O       1.33952999      11.20224098       6.56279003      -0.10483184      -0.32689925      -0.34577036 
O       5.52613999       6.43789004       8.95562000      -0.30452919       5.29841353       6.70406660 
O       9.01656004       7.47222001       3.21253001      -0.05749484      -1.32326062       1.11770270 
O       0.07526072       9.04304001       9.54923003      -1.97862447      -0.63483291      -0.00340193 
O       7.91609998       5.45961999       9.72025000      -0.34380362       0.15306358       0.43389051 
O       7.10469001       9.28975005       3.81373000      -1.27258309      -0.56022533       1.45646032 
O       6.08601003      11.22504794       8.56014003      -1.05908536      -1.99734932      -1.19313291 
O       7.46180995       5.91824997       7.13636997      -1.53005521       0.33756246      -2.11360258 
O       3.49430995       9.12968000       1.33767000       2.03058149      -1.37991359       2.31045734 
O       4.69561004       3.47151003       8.96049995       0.59097099       0.95140411      -1.43925635 
O       3.34110996       1.55510999       3.61260000       2.64099679      -0.82906566       0.96066173 
O       9.34582997      11.34152978       3.51114997      -0.09865315      -0.42305061      -0.37216932 
O       9.19990995       7.40706004       5.96193996      -0.79820477       0.00854850       1.32401519 
O       3.28334000       9.60406001       6.93283997       2.24660774      -0.33972872       0.14469997 
O       1.25920998      11.27190016       9.47912004       0.88005344       0.38618143      -1.00764698 
O       0.27244998       4.98108998       9.60872995      -0.82235931      -0.98281337      -0.00096751 
O      11.00600001       9.38124005       1.70984004       1.34745203       0.29673332       0.29943362 
O       3.55729995       1.74603998       0.78359199       0.67956818      -0.15272384       2.12622333 
O       9.20637997       4.38969999       5.53822004      -0.43397719      -0.56691802       1.52621354 
O      11.33925579       5.88640002       6.90621998       0.73137853      -0.42102790      -0.21836384 
O       5.50750996       7.40900005       0.91192195      -2.84602294      -2.31608028       1.21601704 
O       7.04811002       8.89831996       0.82564004       2.55242977       2.15939272       0.04880873 
O       3.55167999       4.90623998       6.69088001      -2.58243887       1.93238785       1.85861493 
O       3.31935996       5.29881002       4.14625001       0.31230149       2.91764894      -1.82749151 
O       8.59200000       3.57817998       3.18934999       0.64285214      -0.30496296       0.46718391 
O       9.84524001       7.10891003       8.89025000      -1.60026065       0.98254496      -1.04270169 
O       5.32297997       4.23396000      10.96076167       1.41309100      -0.56726446       3.08046491 
O       9.33727000       7.33968997       0.80530402      -0.65952767      -0.21483365      -2.42417104 
O       5.30617002       3.50455996       3.02763004      -0.25166941      -4.05293090       0.19750875 
O       2.12542999       3.13444006       9.14968003      -0.52050669       1.18562193       1.02809924 
O       1.50925995       3.47394999       1.25211000       1.13519401      -1.14961942      -0.18994118 
O      10.99580002       9.30855002       6.96905003      -0.67801660      -1.05385628      -0.38018199 
O       8.78408006      10.84510001       9.55342997       1.50619250       0.82295943      -6.02715071 
O       5.28157003      11.09709999       0.71884499       0.12877234       1.95537846       1.63223256 
O       7.07669995       1.63161001       9.72922005      -2.21413695       0.34208265      -2.07186616 
O      10.14969999       1.56778995       5.85245002       0.87223714       1.36330944       0.25997360 
O       3.39864995       1.66140002       6.72932001       1.05075334      -0.67159197      -0.64972196 
O       1.29381000       3.38179998       6.54658999      -0.37799826       0.87264914      -0.96497321 
O       5.31469998      10.56349996       5.94107999       1.09551712       1.03617751      -0.22355938 
O       1.95132996       6.74038001       9.19612002       0.82874575       0.13430166      -0.47105584 
O      10.91659995       5.07103000       1.17592005       3.33302762       2.25013657      -0.64962486 
O       1.46779999       7.60925006       1.00427003      -0.04823291      -1.79656125      -1.33181353 
O       9.00879000      10.64020005       6.27250003      -2.36173149       0.72913099       0.49660126 
108
Lattice="11.37626631 0.0 0.0 0.0 11.37626631 0.0 0.0 0.0 11.03672276" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0756781731900803 0.0013113081371459244 0.0017229018537429906 0.0013113081371459244 0.09144336053714561 0.007327208366165169 0.0017229018537429906 0.007327208366165169 0.08679963408813211" pbc="T T T" energy=-1037.82742531 free_energy=-1037.82742531 config_type=crystal 
Hf       1.21144006       1.49858999       1.63329999      -0.72141769      -2.28740636       0.28033527 
Hf      11.27519728       7.39995999       0.19935301      -4.27508505      -3.15557722      -0.83277909 
Hf       1.32038999       9.07924001       7.31531996       0.24959974      -2.89692541       0.34385175 
Hf       6.78651997       3.51414004       0.03040396       3.57949329       0.76179739      -1.50303254 
Hf       8.83986005       5.07856004       2.53142004      -1.22812328       2.55776507      -2.48817260 
Hf       3.58088004       7.29275995       5.13571997      -0.38107960      -0.91005442       0.10157752 
Hf       3.61345996      11.14540000      10.48990005       4.78865202      -0.65562089       1.60078985 
Hf       7.41138995      11.05099997       5.07988000      -3.92924278       0.24306094      -3.76968268 
Hf       5.25124005       1.42968997       2.48083995       1.16749354       0.21934300      -0.50400290 
Hf       5.17675997       1.96171005       7.91489997       1.75772403      -2.12628280       1.10221187 
Hf       1.80422999       9.45321998       2.74497003      -0.03404340      -2.62739490       0.92548194 
Hf       3.62005001      10.78229996       5.40735005      -1.41430496       1.89416249      -2.50782842 
Hf       3.40262999       4.02239999      10.53189997       1.33347353       0.42270178       1.72806118 
Hf       7.42594998      11.14639998      10.16950002      -1.51869919       0.99295105       3.23858312 
Hf       8.71226999       1.69395995       2.24132000       0.10089945      -1.13361237      -0.40144034 
Hf       5.34953998       5.39386999       7.70667995       1.10200684       2.09636224       1.92164489 
Hf       3.62022998       3.21733996       5.07930995       1.49889658      -0.43211612      -1.58879906 
Hf      10.64729997      11.19744926       5.13009003       4.37997006      -1.18326106      -1.36747650 
Hf       8.93312996       1.41253001       7.65345005       1.11499507       3.63470792       0.93895149 
Hf       5.65504005       8.98360998       2.17310996       0.21146652       4.19061303      -0.93863129 
Hf       3.34287001       7.45641005      10.64890005       0.44866636       0.64745124      -1.16014554 
Hf       5.08767004       5.43592998       2.48177001       0.26531033      -2.26421956       0.09987948 
Hf       9.26470000       5.74458003       8.10086003       0.36416463      -2.86204041       2.14447557 
Hf      10.83769998       7.07741997       4.81364997       2.19064111       1.49141271      -0.17428668 
Hf       5.51091004       9.37143998       7.90704999       0.90268110      -1.41660271       2.53607910 
Hf       7.21206002       3.53202000       5.41967001       1.80990479      -0.14641991      -0.20348789 
Hf       7.39159002       7.28961999       5.27216002      -0.29769090       0.46057228      -0.07198599 
Hf      11.28910432      10.68750005       9.71912999      -1.71676105      -0.50715937       1.49400840 
Hf      11.15079997       3.56055998       5.07793003      -2.83347398      -1.77715783      -0.12017115 
Hf      10.94510001       3.14606003      10.29569998      -3.53093318       3.04443648      -0.94549936 
Hf       1.30406004       5.41725003       7.58971000       0.27405846       2.96409697       2.38502829 
Hf       9.48687996       9.00838999       7.42297999      -3.20525631      -1.00139355       3.09143191 
Hf       1.68399002       1.87740998       7.95159994      -2.79847452      -0.70719276      -1.33234032 
Hf       7.12342002       7.13379995      10.51030000       1.30867120       0.45950720      -1.77455370 
Hf       9.32082003       9.20046005       2.25782001      -0.40011500       0.81867158      -1.65725578 
Hf       1.74206996       5.12156995       2.48802000      -2.62118793       0.46886666      -0.97291090 
O       5.26755998       3.72385002       6.41097002       0.79148174      -1.72754832      -0.08379475 
O       0.03098895       5.43927005       3.69559000       0.94930086      -1.78327706       1.46704993 
O       3.59783000       9.54499004       3.70351999       0.19043832       0.22720090       1.93705567 
O       5.45870003       7.29505000       3.16880005      -0.51043374      -0.43570919       0.07286229 
O       6.88209005       1.47972996       3.89451997       2.88743467       2.31801595       2.27422602 
O       6.78591999       4.87447995       1.70861999       2.98716431       1.54150608       0.18312735 
O       0.72586301      11.15720003       2.80226000       3.02097360       2.10283600      -2.83445351 
O       9.23880000       3.75618000       3.74163995       1.41363009      -3.52899588       0.26504399 
O      10.97860005       5.01920995       6.51697995       1.78121067      -0.20218997      -0.03145142 
O       3.77191998       9.21599001       9.57292995       0.25908202       0.82188969      -0.18208273 
O       5.55963004       7.32296997       8.57712000       0.54940703      -0.36066318      -0.50540038 
O       6.36356996      10.86240002       3.05634997      -2.24562508      -1.89134837      -1.07028758 
O      11.18240006       9.22030003       3.79092002      -1.86159938      -1.84028277      -1.38618301 
O       6.97795000       1.98502002       1.35156998       0.98291165      -1.65586365       0.49134949 
O       7.61420000       8.98132995       6.57247998      -0.74042660       0.14879022       0.72804802 
O       0.67302299      10.87339996       7.98566998       3.22635481      -1.11554322       1.49455200 
O       1.97821997       3.40942003       3.92450002      -2.31583109       0.36702789      -1.53759052 
O       8.82031005       3.53439002       0.74994200       1.42009356      -0.38256232       1.80227222 
O       5.44384001       7.57235002       5.83023003       0.83432421      -0.49533494      -0.14863096 
O       8.71977002      10.93849996       0.71597395      -1.44521109       1.54471547      -0.12285497 
O       7.18178004       1.62299003       6.65312995      -1.44099819       0.47384309       1.31962427 
O       6.94924995       9.41988001       9.48050004      -1.55287957      -2.11126165      -1.59934575 
O       7.10590000       5.05177997       4.23190001      -1.66707462       0.69725190      -0.61472034 
O      10.71320006       1.44867002       4.30995999       1.97881364       6.14477504      -0.59634160 
O       1.57476001      11.21404030      10.76120003      -0.64185725       0.19380374       1.33620285 
O       3.31201996       1.33488005       9.18599999      -1.34197685       2.43170724      -1.30553099 
O      10.60620002       1.70000997       1.08383995       3.26508922       0.88600980       0.28018053 
O       3.45799999       5.65471003       1.02702996      -1.47860687      -1.49208813       1.83207959 
O       1.80900996       7.39550004       3.85973995       0.67364030       0.79263502      -0.72301157 
O       1.54408004      11.01000002       5.33170998       1.72407784      -1.30636028       0.87258340 
O       3.42378996       5.65210998       9.44760001      -0.52735881      -0.60187273       1.02857180 
O       9.02260998       6.32496005       4.17654996       0.24540416       2.98127476       0.55884185 
O      11.12252836       8.74683996       8.67527995      -1.68460314       1.19022628       2.30828938 
O       7.95172006       5.21683003      10.15110004      -2.73560372       1.42060760       0.28545874 
O       7.28766999       9.07244997       4.19698997       1.75607655      -1.61639886      -0.69263025 
O       5.31900994       0.08517240       9.04160997       0.45774075       0.02506184      -2.14437893 
O       7.34578997       5.17252004       6.81772005      -0.07371128       0.74899396       1.03523450 
O       3.57823006       9.08173005       1.27682002       0.18754607      -0.08487552      -0.22183758 
O       5.23247000       3.90193000       9.22475004      -0.42757111      -2.05008827      -0.61380049 
O       4.22405000       1.01827003       4.10402997      -2.31492247      -0.48424171       1.10283162 
O       9.16413995       0.03174399       3.40678004      -1.15456563      -3.03275756       1.17024142 
O       9.58862997       7.06647999       6.56728997      -1.24407880       0.53945670      -1.05720692 
O       3.31343005       8.96646003       6.57284000       0.27779710       1.01482103      -0.10429745 
O       1.82395996       7.45761002       8.71343997       1.15514166       0.05570230       0.48368126 
O      11.05959997       5.94357004       9.50439995      -0.56034029       0.18982695      -1.36871311 
O      10.42240005       9.33424005       0.70963799       3.64778685      -0.55371756      -2.73431017 
O       3.83833997       1.30254996       0.98632896      -2.71882154      -2.26010054      -0.14540644 
O      11.08939999       1.28576996       9.43217001      -0.16637011       2.43415573       0.70088237 
O       9.63097004       3.77973001       8.71981004       1.74601862      -2.70349967       1.89479451 
O       5.34875001       6.86650002       0.25349200      -0.89339665       1.38814185       0.33716118 
O       7.84751004       8.20045996       1.11757998      -2.36814543       0.31369486       0.59584148 
O       3.75062998       5.68011004       6.76716998      -3.60662665       1.44731108      -1.06747816 
O       3.66848002       5.47350999       4.26035003      -0.12461648      -0.51605419      -1.53976947 
O       9.35112004       3.09553997       6.15955999      -1.09291483      -1.00129676      -0.24335503 
O       8.37776999       7.26210001       8.84657000       0.80532368       2.26453345      -0.13897825 
O       5.13869999       3.39359997       1.03919000      -3.93802739       1.47589710      -2.25363533 
O      10.01920003       7.21321005       1.84510000       0.00316740      -0.48750575       0.42763869 
O       4.91953998       3.39686996       3.49427995      -0.37414368       0.29900156       0.58862016 
O       1.27112996       3.71571997       9.12846997       0.67801098      -1.57477667       0.32728165 
O       2.02816997       3.35793002       0.89893003      -1.36740150      -1.02835908       0.84169336 
O      10.80749998       9.11674995       6.09872998       0.94367588       2.18162733      -0.60764054 
O       8.88216997      10.77540002       8.54515004       1.44037489       1.51685059       1.80228138 
O       5.69314997      10.77550002       0.40364805      -0.39287170      -0.57282512       0.42542373 
O       7.35375005       1.94192001       9.55567999       0.25347044      -1.28389340      -0.93551835 
O       0.02242922       1.12371004       6.92727001      -0.99950156       3.58269895      -1.43723503 
O       3.85569002       1.58990000       6.48060997      -1.75818458       0.12122039       1.38808714 
O       1.92165001       3.43705002       6.67351003      -0.21383380       0.89018763      -0.61974819 
O       5.44563996      10.95660006       6.31875003       1.23043180      -2.17691098       0.11129626 
O       0.88516100       7.31539998       6.41560997       1.24208102      -2.90670747      -0.77979975 
O       0.08232549       5.18244003       1.09042004       1.67587209      -0.29200398       0.50720337 
O       1.54538000       7.56243002       1.00849003       2.51042983       1.00954644       0.10295175 
O       8.99407000      11.35945549       6.31540999       0.84547335      -1.50397400      -2.55105460 
108
Lattice="11.3849943 0.0 0.0 0.0 11.3849943 0.0 0.0 0.0 11.04519025" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.09534467168402712 -0.0014032354740499283 -0.0005421906790564997 -0.0014032354740499283 0.08153540573121812 0.0026048337341960047 -0.0005421906790564997 0.0026048337341960047 0.0898720545916482" pbc="T T T" energy=-1040.12498006 free_energy=-1040.12498006 config_type=crystal 
Hf       1.12352998       1.37491999       2.03313003       1.92939195       2.05035875      -0.06002847 
Hf       0.02670419       7.35559002      10.44560000      -1.05180744       0.73722566       1.31046704 
Hf       1.62764000       9.43553000       7.76448002       3.34080660       0.78428374       2.29884727 
Hf       7.16709004       3.37902999      10.44580003       2.02561321      -0.66866835      -0.33809864 
Hf       8.97772002       5.41765997       2.18253004       0.46059900       0.04824191       0.41301764 
Hf       3.26399999       6.60948000       4.86929001       1.72232693      -0.03577453      -2.12257232 
Hf       3.37810997      11.34761509      10.17880000      -1.40506906      -3.32734962       3.30012545 
Hf       7.13328002      10.76190005       5.09954998      -0.96895160      -1.41269134       0.77623373 
Hf       4.98302996       2.00842001       1.92152004       1.46343485       1.39387701       3.33933847 
Hf       5.65510997       1.52658998       7.41752000      -1.42212381      -0.85654090      -0.06530617 
Hf       1.47030997       9.50249995       2.30066000      -0.42281050      -1.46758318       0.18121879 
Hf       3.22811005      11.08220002       5.31567000       0.73200667       0.41023002      -0.91219254 
Hf       3.29496000       3.95874001      10.43249996       1.17560607       1.12640798       0.06081305 
Hf       6.96883004      10.92470001       0.14644696      -2.15886856       1.63982163      -2.14818470 
Hf       9.05431997       1.67188004       2.22738996      -1.01525527       1.42775390       1.63163651 
Hf       5.75727003       5.10744005       7.66011999       0.82157803       3.29504617      -2.87327810 
Hf       3.55599003       3.36410996       4.88152002      -2.03124862      -0.48921605      -1.17798609 
Hf      10.73760003      11.05760000       4.70512005       0.47838141       1.78085634       1.75317293 
Hf       9.08262000       1.37747000       7.67860997       1.51637373      -2.51164874       0.30633397 
Hf       4.86566000       9.32974997       2.67044005       1.06989001      -4.34263038       1.33838074 
Hf       3.64462005       7.68839003      10.75920001       2.21579574       1.27534711      -0.02196287 
Hf       5.61734002       5.45543003       2.14243003      -2.16321907       0.14984146       0.84318891 
Hf       9.52460005       5.00798997       7.81584999      -2.66680459      -0.31498631       1.92597091 
Hf      10.93589999       7.54017994       5.04008002       0.08155482      -0.14864529      -0.22397586 
Hf       5.70979005       9.26156000       7.88251003      -1.16725873      -4.00027850       1.41690679 
Hf       6.93892997       3.22326995       4.73281995       1.64018511       0.79819691      -0.13306273 
Hf       7.18460995       7.18794996       4.85384994      -1.82841762      -1.14365584       2.44091552 
Hf      10.71560001       0.04773535      10.70119995       0.51185275      -1.49884931      -2.66248193 
Hf      10.87209997       3.38215995       5.02742997       0.82943027      -0.08059154       0.16362588 
Hf       0.04024664       3.66407996      10.42439997      -0.96744246      -0.64203821      -1.54106186 
Hf       1.76049002       5.69229996       7.62385995       0.44098180      -2.23839304       1.62745515 
Hf       9.37146003       8.75022996       7.89854997      -1.28840846       3.05357656      -1.34123005 
Hf       1.89553005       1.49852995       8.08048999      -5.30295056       2.95623517      -3.76156295 
Hf       7.81901997       7.46328000      10.79040002      -1.22301199      -1.17843376      -4.58825793 
Hf       8.70419998       9.38375002       2.50779001       3.64764870      -3.49366977       1.33997943 
Hf       1.18000001       5.51863998       2.21809997       1.55526760       0.05834760       0.41921439 
O       5.21086999       3.29444996       6.27382998       0.59133010       0.19972805       0.52565644 
O      11.19514736       5.57477005       0.60815801       1.30711428      -1.51277663      -0.28766738 
O       3.14307997       9.16667996       3.54940999      -1.87765016       0.14593538      -0.19152906 
O       7.44580995       8.91315003       1.03348995       0.32837862       3.05499205      -1.28046080 
O       6.67735005       1.76275996       3.37172999       0.39910826      -1.38451293      -2.09658075 
O       7.37128002       5.68281000       0.70880796      -1.48120576      -1.29564299       0.18479316 
O       1.78395005      11.27321130       3.87909998      -2.98590246      -1.39750337      -2.59756634 
O       9.00978005       3.07689000       4.01686995      -1.45663002      -0.47146790      -0.48603072 
O      10.60470003       5.23422995       6.16681998       0.91939294      -0.59220984      -1.53043326 
O       3.50142995       9.34651995       9.25964998      -0.98117087      -2.94568921       0.89707752 
O       5.00452995       7.28909995       1.73950999      -0.73735254       1.48141634      -2.35879068 
O       5.85535004      10.92460004       7.00839003       1.59278576       2.13310916      -1.16606745 
O      10.43720001      10.43419995       1.90419997       0.21583636       1.22351604      -2.62591802 
O       6.50912002       1.72500003       0.63273101       1.36358214      -1.22326291      -1.84919053 
O       6.96127997       8.97749005       3.58558995       0.99370802       0.92070346       0.14054283 
O       1.50785995      10.99280003       9.17050999       0.51472278       0.92848523      -1.83782750 
O       1.31662006       3.47440004       4.28941002       1.21230454       0.63645391      -1.52233028 
O       8.56667004       3.29661003       1.28899005      -0.41334839       1.62516660       0.18999162 
O       5.96477999       7.59880003       9.85423002      -3.98515788      -0.37977985       1.75143981 
O       9.27759998      10.02289996       5.61555001      -0.65249595       0.27623234       0.08647599 
O       7.00220003       1.44280997       5.88197999       0.96913492      -1.12049350       0.83507087 
O       6.79337999       8.77427997       6.21242999       0.75835017       1.95443300      -1.00729605 
O       7.20678997       5.40832997       3.41365997       1.92544613       1.01558342      -2.52223371 
O      10.88170002       1.43172998       3.16014999       0.35150344      -0.39390970       0.46672488 
O       1.45618995      11.07339998       0.70090403      -1.10840085       1.65708687       2.66069460 
O       3.54970995       1.54997999       9.06158000       0.64055983       1.93126110      -0.23276770 
O      11.01860002       2.08901997       0.56285605       0.03134813      -3.27207048       3.44385815 
O       2.97397000       5.64090001       0.48482995      -0.19108232       1.37600509      -1.49438134 
O      11.11691833       8.99415996       3.54032002       0.34499194       0.56094258       2.56535868 
O       0.87723704       0.17717897       6.28293001       1.99560402      -2.10454628       0.71873214 
O       5.54519001       3.99815998       9.37477002       0.07061078      -0.81102450       0.84318592 
O       9.15855005       7.21981998       3.69143998      -0.17486541       0.25042899       0.21392410 
O      10.96216233       9.43228994      10.31569995       0.93962477      -1.14124699       0.77431544 
O       7.61207003       5.67446002       8.46727996       0.02582945      -1.40525375      -0.32704936 
O       9.39528996       7.09664003       0.88497599       0.58101454       0.47669315       1.67612732 
O       5.61710003      10.66699998       1.53144998       2.06014528       2.99344891      -1.02118044 
O       7.08637999       4.99622995       5.72585998      -0.00059202       1.12733587       1.73349467 
O       3.60918995       9.51024994       0.75064902      -0.76402350      -1.81304531       1.22862852 
O       7.09584001       1.90454002       8.66982997       2.02238390       0.16285427       1.78389971 
O       3.31247001       1.61204005       3.64428994       1.97050887       2.12069761      -0.21602271 
O       7.54415000       8.92168001       8.91007998       0.86860819       1.68802075      -0.15715920 
O       8.99695998       7.39274996       6.46260996       1.36062015      -0.50748562      -0.69279921 
O       3.52028999       9.39296003       6.82626998      -2.53384222       1.72724440      -2.01400488 
O       1.55369002       7.35517003       9.03214998      -0.39702830       0.80680634      -0.26768690 
O       1.56898997       6.83274998       5.97292001      -1.34581763       1.29402463       3.03860131 
O       1.32298996       7.10492000       3.75561000      -0.57364815      -2.13398153      -1.00895052 
O       3.84907997       1.36368004       0.59894002      -2.50048432      -1.31442486      -0.86452526 
O      11.20420002       1.91448003       9.20238994      -0.88371339      -2.68987585      -1.18073076 
O       9.30592004       3.63851997       9.78538005      -1.24688103       1.01059051       0.18752160 
O       5.32209000       6.90782002       6.63754004      -0.26675291      -1.31842298       2.02830667 
O       5.15577004       7.19787005       4.09743997       0.26000801      -0.29951717       0.77674983 
O       3.30467004       5.10517000       6.30772999      -0.23433451      -0.64006639      -2.50717405 
O       3.36251002       5.24057003       3.16571996      -1.38928447       0.65314916       2.11713804 
O       8.91975002       3.13235997       7.20880998       1.15257089       4.50732638      -0.87158714 
O       9.69118995       7.48879001       9.30713999       0.27938427      -2.23383408       1.06850152 
O       4.88978002       3.78048003       0.88736804       1.09757548       0.80604585       0.63764127 
O      11.34999740       5.13802003       8.89067998      -0.09757276       1.33173115      -1.01471984 
O       5.35683997       3.87863997       3.55089005      -1.83257235      -1.49081654       0.94029035 
O       1.71973003       3.33213998       9.19128997       1.17893715       0.89989363       1.88037568 
O       1.78774000       3.45249998       0.99763295      -0.91181762      -0.48786789       0.02946986 
O      11.37345982       9.02058999       6.86372996      -1.48329890      -2.34271465      -1.11459417 
O       8.70683002      11.07249829       3.46747997      -1.77408653       2.00004301       0.35631006 
O       5.16395995      10.64460000       4.53379998      -0.85491384       0.15677907      -0.99287705 
O       8.75165001       0.60300395      11.02712109      -0.48589705      -1.57388954       1.82518387 
O       9.86002999       1.33150002       5.64520999       1.13146050      -0.94875015       1.20369630 
O       3.82955994       1.28858997       6.55047997      -2.96500538      -1.63480418      -1.67807718 
O       1.26141001       2.81307999       6.58011996      -0.01086326       0.21680969       1.29173900 
O       5.03274003      11.10330005       9.36734997       6.38604150      -0.80282397       0.42752626 
O       3.46033001       5.34986996       8.77782001      -0.45977638       0.23802890       0.48705070 
O       1.27512995       7.61696000       1.28510998      -0.02782624       1.27602631      -1.34287027 
O      10.67800004       4.62201999       3.16551000       0.81935214       2.12333181      -1.19244125 
O       9.57156998      10.80930000       8.56676001      -0.14965978       1.56134725      -0.38017229 
108
Lattice="11.39366671 0.0 0.0 0.0 11.39366671 0.0 0.0 0.0 11.05360382" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.07411829319460758 0.0006347430032353147 -0.00850646813407802 0.0006347430032353147 0.07171280805023217 0.014071731597695276 -0.00850646813407802 0.014071731597695276 0.054849498500433996" pbc="T T T" energy=-1041.36760711 free_energy=-1041.36760711 config_type=crystal 
Hf       1.43616998       1.67299999       2.12868003      -0.71287167       0.37967499      -0.63087838 
Hf      10.98917673       7.01262002      10.60789996      -0.22015031       1.83636473      -0.83790965 
Hf       1.71963996       9.18648001       7.84964999      -0.95806935      -0.05391812      -1.77048493 
Hf       7.24299005       3.36262003      10.58910000      -1.03150722       2.02701940       2.91448532 
Hf       9.13216002       5.49333005       2.38723996      -2.92072815      -2.02423552      -1.34251089 
Hf       3.38168996       7.29951995       4.82140004       0.10171131       0.08315080       1.97641486 
Hf       3.68348004       0.05246521      10.48160005      -5.90807530      -0.29409297      -8.13395295 
Hf       6.73459997      10.93670001       4.88362001      -0.10985274      -1.04720681      -1.15822285 
Hf       5.28970004       1.44937000       2.45572997       0.29736096       2.63789618      -1.89055952 
Hf       5.78603995       1.43012997       7.62503999      -2.47653675      -2.27921898       0.87367716 
Hf       1.52101998       9.52225000       2.12917999      -0.79392783      -0.30441717      -1.93572062 
Hf       2.86754004      11.17329998       5.19807005       2.73591401      -3.03765745      -2.37635552 
Hf       3.63950004       3.58225996      10.28719999       0.11230590      -1.14188657      -0.36616043 
Hf       7.34216998      11.18949995      10.38520002      -1.70353326      -2.52901560       3.04370504 
Hf       9.12707002       1.31228995       2.33044997      -2.55217352       1.37658520      -1.19281742 
Hf       5.59912002       5.35099000       7.84603999      -0.71237124      -1.36403574       1.57025865 
Hf       3.18089002       3.65817004       4.81822998       3.82560532      -0.53346029       2.26206534 
Hf      11.08969998      10.91119996       5.03412002       0.78702486      -0.02634915       0.14340808 
Hf       9.39064005       1.34169996       8.01851998      -1.02108537       4.36540439      -0.22868718 
Hf       4.80392001       9.29924006       2.17998998       2.91014977       1.20998096      -2.27668734 
Hf       3.43976006       6.80714002      10.72170002      -3.62455573       0.59504639       2.62499330 
Hf       5.50699003       5.49876004       2.11542002       1.63676834      -1.27464714       0.46801569 
Hf       9.01723006       5.36400999       7.63594005       0.73475793      -0.60521401       2.39304146 
Hf      10.74450002       7.23946997       5.33751005       0.88726879       0.02634149      -3.37054249 
Hf       5.32933998       8.79045006       8.22089003      -1.64481791       5.26582983       3.69018852 
Hf       7.06584997       3.24246003       5.36705998       0.89243013      -0.05766278      -1.63759938 
Hf       7.17712998       7.24166998       5.45639996      -1.22349166       2.78491181      -3.70541359 
Hf      11.24114573      11.17120001      10.47249995       2.76588766      -7.19704468      -1.85586084 
Hf      10.66639996       3.69314005       4.59848997       1.75781000      -1.29095408       1.84180514 
Hf      11.24164375       3.43504000      10.51849996      -2.13810447       0.40844561       2.94478108 
Hf       1.42239002       5.24775996       8.15908999       1.63288072       2.72139477      -2.00962896 
Hf       9.00850000       9.51873996       7.78188001       1.14814263      -1.75051573       0.47537442 
Hf       1.69588998       1.79414999       7.32509006      -0.70232347      -2.40105206       0.36738307 
Hf       7.43966000       7.53244000      11.00349264       0.85004855       0.71904509      -0.27334225 
Hf       9.07458999       9.34499998       2.52827997      -1.67129860       0.65546318       0.62611073 
Hf       1.54394005       5.69954003       2.62689005      -2.22570645      -4.74804391       2.68517817 
O       5.75870005       3.39306995       7.04701996       0.70386776      -0.48548604      -1.29706955 
O      11.11420000       5.35838004       0.68342796      -1.32346589       1.82972708      -1.36397891 
O       3.32615005       9.42793004       3.36401996      -3.22333888      -1.81413430       0.09753526 
O       7.41711000       9.45144999       0.63926495      -3.34563575       2.23759982      -1.80542785 
O       7.34905996       1.28021005       3.45986996      -1.31877040       0.37206307       0.65910939 
O       7.30168999       5.38179995       0.70901805      -0.16340666       0.81458162      -0.01289953 
O       1.16432005      11.27939997       3.65562995       2.78662706      -0.03723556      -0.20564582 
O       9.12086001       3.62046999       1.56670995       0.30459134      -1.43445086      -0.92581920 
O      10.55459995       5.06037003       6.09885000      -0.42751436       0.65411410      -0.31885829 
O       3.42698001       9.04123002       8.75193002       1.05435679       0.73190301      -1.13728500 
O       5.79806996       7.55722999       1.24867002      -3.00915874      -0.78996768       1.15603292 
O       4.91916000      11.30232676       6.24166002       1.09821180       0.14097064       0.69092561 
O       0.38210199       9.21404004       0.02269603      -1.71506124      -1.57178493       1.11214106 
O       6.71690002       1.56705997       0.80469495       1.68080372      -1.18745550      -1.26302299 
O       7.16263997       9.71441000       3.26839004      -0.18326528      -0.12691631       0.56561434 
O       1.70368997      10.87030000       9.08428006      -2.09262588       1.17068951       1.22801981 
O       1.57225001       4.10031005       4.08583002      -4.59366194      -0.10693008      -1.35215923 
O       9.12968999       6.98942001      10.00859998       0.18138699      -0.39776919      -1.37204919 
O       4.83337002       7.37044006       9.65020003       4.94438523       0.85358552      -2.03175964 
O       9.88971000      11.24040002       6.98309001      -0.43134436      -0.60033067      -0.02449743 
O       7.30779996       1.03207000       6.25977998      -1.61552392       0.92485836       0.56909519 
O       7.20723000       9.35063005       6.15920003       0.94258562      -0.68035460       0.70003837 
O       7.21450998       6.04761006       3.31064001       0.91647991      -0.73763612       0.74823717 
O      10.84820004       1.62598995       3.05767000       1.49152869       1.39997586       0.77007067 
O       1.57834004      11.03799768       0.78575504      -0.04289097       4.58620784       1.81821116 
O       3.37263997       1.53014004       8.59039995       0.76516012       0.68061996      -0.26758271 
O      11.01459999       1.40756003       0.28328397       0.29971660       4.30339964       1.14528379 
O       3.70926004       4.94964000       0.64308297       0.05704697       2.79955757      -1.76282230 
O      11.08040001       9.33423001       2.96105000       1.56054215       0.73431639      -0.78586549 
O       1.32319004      11.02739473       6.41130996       0.83031851       1.24699468       1.60122925 
O       5.48634003       3.28859003       9.64740005       0.46896482       0.27601769      -0.47656270 
O       9.03168999       8.10468998       1.02053005       2.63277291      -4.12333801       1.22183843 
O      10.69049996       9.26956001       8.66178004       0.35828764      -0.53372572      -0.57634206 
O       7.22587995       5.27647997       9.09007999      -1.23844116       0.59660612      -2.90410898 
O       9.18187002       7.26968005       6.75461997      -1.35744097       0.37864670       0.49602761 
O       4.62156005      11.13650003       0.82269099       6.91452750      -1.73112398       9.25801481 
O       8.76902996       2.88051002       6.41809002       0.84831739       1.32075054       1.87245144 
O       3.18344995       9.31152004       0.63093595       1.57723830      -2.77312944       1.22532155 
O       7.31163005       1.42137997       9.00418995       1.41923678       0.96933164      -0.84924949 
O       3.15473005       2.01307998       3.02159999       0.13826579      -0.70132131      -0.72941178 
O       7.55776003       9.27039004       9.19671002      -0.89714062      -0.61130555      -1.57743088 
O       9.39009999       7.81353998       3.83021996      -0.51418166      -2.67157797       3.59752538 
O       2.91484005       9.18728999       5.89435999       0.72759930      -1.82339196       0.84676622 
O       1.81163004       6.81107995       9.66212997      -1.65278201      -1.08871295       2.03380544 
O       1.74950003       7.11019002       7.43135996      -1.53942472      -0.09733128      -1.74170845 
O       1.21313998       7.08445002       4.19889004       2.90155607      -0.05313944       0.23534329 
O       3.80851004       1.85677003       0.23428003      -1.66891265       0.43010413       0.40757069 
O      11.18840001       2.40402004       8.64226004      -0.94150144      -2.19298224      -0.31255237 
O       8.92230999       3.70906999       9.75180001       3.23015393      -1.42025763      -1.15759361 
O       5.97242997       7.34802006       7.31564000       1.19747281      -3.84125076      -3.19947927 
O       5.46395000       7.75687005       4.36054999      -1.54834135      -0.76081723       1.22154020 
O       3.62966001       5.68660002       5.98824997       0.69852624       0.31166204      -1.29623285 
O       3.75397004       5.33575997       3.27516999      -1.88701198       2.34702177       0.42696533 
O       8.82453000       3.73967999       3.89204001      -0.24179994       0.84211487       1.74527954 
O       7.25885003       5.40464995       6.24175995       0.08007676      -1.51879704       0.00382081 
O       5.42407000       3.62886997       1.62124998       1.46422290      -1.32771937       0.46087793 
O      10.75819999       5.70762999       8.65089998       2.02673576      -1.05029953       0.60714713 
O       5.11957004       3.40891000       4.17647001       2.95570776      -1.66774765       1.56329753 
O       1.57203000       3.90875995       9.70161996       0.50979389      -0.06872033       0.12724529 
O       1.15837005       3.62002006       1.30633004       0.28106895      -3.15266330       0.48673133 
O      11.37970001       8.99718005       5.84278001      -1.01489312       0.30179737       0.32696673 
O       9.31515997      10.79349996       4.43785005      -2.34018511       0.76053655      -1.39692840 
O       5.01132998      10.98577766       3.63862000       0.60098413       2.59177055      -0.94137179 
O       9.09794006      10.95900003       1.28248001       1.49528143       3.49732009       0.53686430 
O       0.25220702       1.97693004       5.79154998      -1.95606870      -0.15356812      -1.10393103 
O       3.16036000       1.61296004       5.55901996      -0.98564023       2.58172047       1.62741985 
O       1.91666005       3.55508003       6.79999004       0.89643620       4.03642382       0.39673595 
O       5.59927998      10.99009996       9.18721995      -1.06736301       0.11673865       0.34138782 
O       3.73816999       5.06566000       8.65283004      -0.29386627      -0.04361237       0.91908722 
O       1.99776996       6.91382998       1.41564996       1.57867216       4.61348510      -3.23408094 
O      10.88610005       5.68586000       3.35651003      -0.95841678      -2.12455702       0.61789870 
O       9.18215999      11.30647098       9.69266997       2.24468142       0.91640315      -1.94929761 
108
Lattice="11.40237947 0.0 0.0 0.0 11.40237947 0.0 0.0 0.0 11.06205654" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.07447000185936055 0.0026857728193857818 -0.011622338528883369 0.0026857728193857818 0.0656791566197344 -0.006337008540875096 -0.011622338528883369 -0.006337008540875096 0.08707462491890582" pbc="T T T" energy=-1033.94157526 free_energy=-1033.94157526 config_type=crystal 
Hf       1.38928997       1.97886996       2.24214003       1.85409783       3.45125141       0.33108165 
Hf      11.07510005       7.55151999      10.80999995      -2.07253476      -2.64145492      -0.65668631 
Hf       1.35637997       9.23267005       8.08318996       0.89482237      -1.96120072      -2.71837585 
Hf       7.41829994       3.60209001      11.04731856       1.76573694      -2.94301536      -2.46944405 
Hf       9.16829005       5.56987001       2.44978999       2.86375437       1.81964120       1.14778823 
Hf       3.29609005       7.15328002       5.74258003      -2.92673251       2.17042421      -0.03105653 
Hf       3.45244997      11.25231845      10.71930005       0.08060790       1.51422281      -0.20771465 
Hf       6.83533995      11.00810001       5.37826005       2.42118903      -1.06126344      -0.78655302 
Hf       5.45336004       1.51442995       2.35121998       0.99795810       3.08537457      -0.65436964 
Hf       5.17112002       1.58017994       7.73668000       3.20010241       0.62106853       2.08877831 
Hf       1.63322005       8.80472005       2.38285005      -1.98949541       0.33941073       0.28057384 
Hf       3.29538003      11.37069442       4.95091998      -0.56879969      -1.66519095       1.17865391 
Hf       3.60714001       4.21037001      10.32570002       1.26830878      -4.12532955      -0.04986750 
Hf       7.67866005      11.09881848      10.49590004      -0.77900363       2.50001763      -2.49088028 
Hf       9.28852005       1.53055998       2.10092005      -1.71596925       0.49062215      -0.98385747 
Hf       5.46962998       5.06434997       7.66135005       3.94165944       1.52810138      -0.16255584 
Hf       2.56216997       3.22213000       5.14327000       1.91259978       0.52399169      -0.46384437 
Hf      11.37124516      11.04540004       4.70816005      -2.77518800      -0.73183329       1.86242853 
Hf       9.07859004       1.66723004       7.94163004      -0.27017100       0.38613804       1.21207030 
Hf       5.51677996       9.17310003       1.95262997      -2.13407788       0.94175816       0.63202169 
Hf       3.46926996       7.67567001      10.51920005      -1.69470095      -4.23024745      -2.83440917 
Hf       5.30189004       5.63563996       2.25998003      -2.55907836      -5.82415350       2.33758250 
Hf       9.40854001       5.51031003       7.77909004      -0.85522714       0.74705133       0.16751369 
Hf      10.81859999       7.34963002       5.31317998       0.14422014       0.55220751      -2.98789155 
Hf       5.58778999       9.19227005       8.02524005      -2.89966601      -1.29338903      -2.06238618 
Hf       7.29498002       3.49036003       4.75382997      -2.48007488       0.12212070      -0.84546972 
Hf       6.79492000       6.96442002       4.71784997       1.90457814       3.11487610       1.98102272 
Hf      11.22476746      11.05099998      10.82990004       0.58499343       1.84252955      -2.86772926 
Hf      10.70009996       2.87680996       5.34209000      -0.76543921       4.53067629       0.31871404 
Hf      10.94309995       3.79243996      10.53259997      -2.05198340       1.09902886       0.16075669 
Hf       1.44473997       4.97451005       7.94615995      -1.12757055       1.71291854      -3.26152091 
Hf       9.14063005       9.08675996       7.65379002       0.71450690      -0.76766586      -2.61421592 
Hf       1.68752001       1.66472004       8.37288995      -1.41875497      -3.13070455      -0.71618223 
Hf       7.26773996       7.26090001      10.40959996       1.94729630      -0.03090065      -2.71227131 
Hf       8.94907999       9.19796999       2.44222996       2.67446740      -2.76837048       1.14767961 
Hf       1.46440999       5.55165996       3.23619004      -2.50367780      -4.46509287      -4.32689971 
O       5.94291003       3.00821999       6.33549000      -0.45094676       1.31941010       1.60487841 
O      10.54939996       5.53008996       0.11135995       1.48815294       1.21886815       1.77718544 
O       3.44762004       8.76679996       2.87779003       3.14721778       1.88931400      -0.92115418 
O       7.55461995       9.23514004       0.54749901      -2.10203847       0.59878275       0.97486561 
O       7.56986995       1.63411001       3.86713999      -0.23460341       0.61393438      -0.67408380 
O       7.18827997       5.54221001       0.10213099       1.04672735      -0.18619586       1.71679791 
O       1.35045005      10.19250001       0.68540104       1.94283123      -1.04952771       1.77031680 
O       9.17842996       3.59842996       1.07791002       0.40231064      -0.26901750       2.47180413 
O      10.96720446       5.68710004       6.28896996       2.05550992      -1.27577135       1.21994792 
O       3.44472999       8.78144996       8.64032004       0.99885596      -0.26233494       2.01651859 
O       5.34122004       7.28619004       1.35035995       1.24671246       3.79201279      -2.79239842 
O       5.01232000      10.71829999       6.44481000       2.18229341       3.68469272      -0.92263062 
O      10.05729994       9.88931005       0.72755998      -0.55148108      -2.07117847       0.88164683 
O       7.31468002       1.60609995       1.22221001      -1.09467226       0.23898498       0.70703836 
O       7.21686995       9.19383001       3.69695998      -0.85331974       0.55404553      -2.72728637 
O       1.30400998       0.06745705       6.57943999       1.80046131       0.30360369      -2.01866534 
O       0.83184896       3.43587000       4.23852995       3.16455309       1.34218617      -0.59827850 
O       9.18180997       6.77474999       9.52257004       0.26560532       2.14279789      -0.16956678 
O       5.50067000       6.73707995       9.46683000      -1.58581243       2.10628746       0.83825607 
O       9.29819998      10.07479997       5.83288004      -1.13251601       0.33386708       0.24894064 
O       7.79411006       1.39727996       6.45665005      -1.39540189      -2.08915257       0.04612063 
O       6.71487997       8.71882000       6.36387004      -0.32564144       2.08779560      -2.41557489 
O       7.14971005       5.44920000       3.19468996       1.23584599       1.12111392      -2.39276581 
O      11.21446552       1.47719000       3.65733005       0.53881089      -0.13622793       0.00872119 
O       1.73575002      10.88480004       9.42794001       0.87814386       0.88853410      -0.02857438 
O       3.61319000       1.38128003       9.27386006       0.39375701      -0.85445271      -1.16645030 
O       0.11705706       1.20868005       0.99444902      -1.10605935       0.59940249       0.01733166 
O       3.23137995       5.39594997       8.68395996       0.52117657      -0.33520464       0.38366988 
O      11.14670004       8.82375005       3.48718998       0.26794970       2.72817136      -0.86634544 
O       1.83050003      11.14710003       3.47595005      -0.73049973      -1.65460810       2.47933970 
O       5.16725006       3.71136996       9.06084998      -0.22127946      -1.74986785      -0.71275116 
O       9.28006997       7.32613998       1.18031004      -0.53585993       1.15821739       1.40066782 
O      10.88580003       9.20366001       8.97059997       0.27375522      -0.53283717       1.13443260 
O       7.32823004       5.64898998       8.08215997      -0.32818656      -1.60094019       0.18195442 
O       9.23334998       7.28309999       6.49502001      -1.10031076       0.63607307       2.33783410 
O       5.34462000      11.29459996       0.91447499      -0.76864077      -0.33529648       0.60349403 
O      10.13559997       3.64023998       7.23327003      -2.70889098      -2.98478109      -0.78125736 
O       4.21874004       9.30354998       0.03959364       0.38624803       1.53786957       1.77918766 
O       7.29602003       1.71374001       9.22466997      -0.12482176      -0.99066777      -0.03629417 
O       3.20576998       1.73135999       3.32520995       0.75740464       0.10418896       3.34794178 
O       7.34709003       8.58174002       8.53944006       1.14003846      -0.28874548       3.73000241 
O       9.20474996       7.21158997       3.81634999      -4.65443823       2.13162672      -0.14933031 
O       3.33100003       9.15802996       6.08515002      -0.52537199       0.13996466      -2.32131518 
O       1.38633995       7.38683998       9.86787004       0.64504971       1.44125886      -1.14019671 
O       1.79031998       7.38478995       7.21401995       0.97075302      -2.74979408      -0.46291545 
O       1.67215006       7.07602001       4.20517995       1.52405541       5.38734749       2.88644817 
O       3.08710998       1.95749996       0.83224398      -0.36611967      -2.25691913      -0.58833059 
O      11.29279998       1.27637996       9.22654001      -0.45264778       0.64679978      -0.56204321 
O       9.03622997       3.55940999       9.61253001       1.36032734      -0.16672312      -0.39317487 
O       5.06816999       6.58168000       6.40319997      -1.02192690       0.46133775       0.21208564 
O       5.07082002       6.97593996       3.79767005      -0.09250910      -0.20216663      -0.01941312 
O       3.24263000       4.95508997       3.34389000       3.09624444      -1.18157852       0.14764309 
O       3.40889995       5.53530005       0.50256405       1.12747771       2.73436777       0.76955783 
O       9.36832998       4.15311000       4.34533997      -1.66369091      -2.45195069      -0.52389113 
O       7.15563997       5.38487997       5.59575004       0.40543237      -2.60127450       1.47458139 
O       5.59108004       3.76100999       0.52067496      -3.03663639      -0.30193656       1.46996639 
O      11.13209998       5.14681004       8.94072998       1.79403283      -0.57244535      -0.09352997 
O       5.55269005       3.62431005       3.41587998       1.28977954      -2.13310047      -0.05945429 
O       1.73275005       3.30047005       9.50075003      -0.44864576       2.31849632       0.79318882 
O       0.97823602       4.14176999       1.76455997      -0.38674485      -3.71931838      -1.66662473 
O       0.24623005       8.98706998       6.23972998      -0.38056603       1.34151587       0.46430629 
O       9.51119997       0.04682056       3.26659001      -0.54403447      -4.37811557      -0.86909881 
O       5.58218002       0.00294010       3.56754996      -1.29882966      -1.56562323       2.67814007 
O       9.17692998       0.82430104       0.03619051       1.00605801      -1.39356534       0.42700078 
O      10.33330001       1.23894002       6.11632998      -0.13271543      -3.01004443       0.99917111 
O       3.75444997       1.87775001       6.46710005      -2.82746337      -1.15675125      -1.93983636 
O       1.26586001       3.07174995       6.89023997       0.58412706      -0.62505698      -0.01994936 
O       5.70589994      10.84650002       9.08069996       0.29383225       0.99872532       0.64607696 
O       2.49644004       4.96678003       5.84867002       0.86200984       2.01754740       1.73412833 
O       1.63481000       7.23903994       1.08775005      -1.05055258       1.81539174       2.46160085 
O      10.90840000       6.01086000       3.45311995       0.56942543      -1.79976225      -1.26919028 
O       8.81197003      10.81560002       8.52429997      -1.01184468       3.04478171       2.51709738 
108
Lattice="11.41111026 0.0 0.0 0.0 11.41111026 0.0 0.0 0.0 11.07052674" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.08937884803143423 -0.0028588492932276844 0.012812332437949403 -0.0028588492932276844 0.08690167637103496 0.0003543626106068818 0.012812332437949403 0.0003543626106068818 0.10423719246796291" pbc="T T T" energy=-1039.10070558 free_energy=-1039.10070558 config_type=crystal 
Hf       1.54406004       1.81785000       2.37335997      -0.56379763      -1.00105862       0.36752096 
Hf      11.11654124       7.57747999      10.32129995      -1.43506972       2.96519299       0.74169098 
Hf       1.32658002       8.94974005       7.77475997       2.21137295       1.85241235      -2.76770052 
Hf       7.45690004       3.34287996      10.66270005       0.87380020      -1.66256466       2.11395005 
Hf       8.87924997       5.53880001       2.25781998      -0.08326174       1.26498365      -0.67445264 
Hf       3.20215004       7.34728001       5.16927995      -2.24351401      -1.57978817       1.47313210 
Hf       3.90445002      11.19245524      10.57890004      -6.94137542      -0.38971904       0.40168142 
Hf       7.18619005      11.19000003       5.29043004       0.39982290       2.17557872       2.45725183 
Hf       5.39945004       1.60306004       2.60460002      -0.68825868       1.74306014       0.75262616 
Hf       5.67535004       1.99466002       8.15005005       1.17815620      -0.86542451      -3.84200919 
Hf       1.46249000       9.17868994       2.36635996      -3.05093772       2.16861016      -0.32272344 
Hf       3.43028005      11.17210022       5.10246002      -3.36077590       2.47660257       1.02567434 
Hf       3.56062003       3.38977996      10.96891669       0.90190955       0.77182913       0.51392403 
Hf       6.94659005      11.18349729      10.91630002       2.24699473       0.52645094       0.31754695 
Hf       8.95211995       1.06398002       2.73436996      -0.17711172       2.19008986      -0.45141037 
Hf       5.51362003       5.60597996       7.95005999      -2.36180470      -1.22320742       0.55899086 
Hf       3.82664998       3.46442996       5.07972005      -2.80504486       0.12075678      -0.51375506 
Hf      10.96140000      11.25230001       5.11574000       1.68905473      -1.24176332       2.15705071 
Hf       9.47001000       1.50721002       8.12591995      -1.89733578      -0.83819376      -0.22769268 
Hf       5.19912001       9.20222000       2.27993004       1.19189590       0.32283690      -3.91026786 
Hf       3.28873002       7.43620998      10.43249996       0.97037449       0.03236019      -0.19019645 
Hf       5.22854995       5.67185002       2.28423005      -1.46876104      -2.83814354      -1.45354948 
Hf       9.13381998       5.50027998       7.92050002       1.24386477       1.61841154      -2.45168675 
Hf      11.02560005       7.20722004       4.52253003      -0.91139689       0.13567792      -0.41123186 
Hf       5.20532994       9.07144000       8.10848996       0.20951039      -0.35701777      -0.19837941 
Hf       7.81684001       3.58774002       5.13822004      -1.53668795      -2.33904237       1.11853448 
Hf       6.80810003       6.68625995       5.10655999       2.82044194       2.90374863       0.36052624 
Hf      11.34460003      11.39632409      10.54480005       0.84922469      -0.37585034       2.17359983 
Hf      10.87630005       3.29635994       5.12582005       4.86801461      -0.05947260       1.36569004 
Hf      10.85370000       3.87302998      11.02941468      -0.47851294      -5.26414343      -0.10721649 
Hf       1.69713997       4.90956001       8.30866003      -1.27412800       2.55847606      -1.07454215 
Hf       8.88751002       9.14183000       7.46927996      -1.16182275      -1.70149685       0.13365380 
Hf       1.66334003       1.55969999       7.86791004       0.49120299      -3.04690782       0.14531881 
Hf       6.95672997       7.17152004      10.46249998       1.58492893       4.12331783       2.92354983 
Hf       8.72701994       9.05971999       1.69532995       2.47003536      -3.56294067       0.27465549 
Hf       1.62873995       5.49062002       1.91868004       2.69164926       1.01502718       2.46678932 
O       4.94272001       3.67971996       6.99597996       0.82990487       0.10902584       1.38515859 
O      11.30690001       5.37560995       2.54699000      -5.08146337       0.68627306       0.53474844 
O       3.35300002       9.25637005       3.01398998       1.49184417      -0.21177497       2.43120761 
O       6.71261996       9.26480001       0.59621495       1.20948602      -1.66701059      -0.65098467 
O       7.35625998       1.62819005       3.99920000       3.62976367       0.84642476      -0.41607701 
O       7.28790994       5.66421998       0.83212500      -2.20420946      -2.22153614       2.06319406 
O       1.33065995      11.29450001       1.23822004      -0.04721985      -2.03150026       0.82880962 
O       8.99486997       3.52276002       1.03255002       1.16592421       2.02063088      -0.23198832 
O      10.69100005       5.21775995       5.24900003       1.24077028       3.20451858      -1.42592521 
O       3.11747002       8.96019001       8.92777005       0.80498314      -1.06292388      -1.15622619 
O       4.74961002       7.35431998       1.05656000       2.82609389      -2.31677649       2.57945597 
O       5.37754003       0.54363899       6.57419002       0.54354336      -1.68250339      -0.54705787 
O      10.40319998       9.69339001       0.51341095      -0.59051616      -1.00971381      -0.17986973 
O       6.98445999       1.70309999       1.21820995       0.41217567      -0.31973005      -1.49308646 
O       6.86417000       8.32536004       3.10454999      -1.92751095       0.32319722       0.20116329 
O       1.42475003      11.08779996       6.80014998      -0.40630122       0.59950132       1.25115965 
O       1.11009004       3.66474995       1.17876998       1.34447143      -0.38064502       0.35407758 
O       9.14175994       7.74201998       8.99573002       2.99103747      -1.35295770      -0.23172538 
O       5.23818002       7.53991005       9.37717997      -2.23932985      -1.89645953       1.27688003 
O       8.87284001      11.30840000       6.66629004       1.15122478      -2.09368632       0.46960914 
O       7.56168005       1.87271005       7.02885998      -0.61965892       1.91381295      -0.80723188 
O       7.30424997       9.33184998       6.05103002      -0.61216595      -0.25557717       0.22331049 
O       7.29927997       5.15269996       3.64192000      -0.15287411       0.19905533       0.81213476 
O      11.07470000       1.34310000       3.86601005      -1.11650052       1.21631688      -2.58505705 
O       2.16565003      11.23473021       9.56418995      -1.83624585       1.08394601       0.51128359 
O       3.91262003       1.68025004       8.96446995      -0.77452229       0.66775313       1.59929389 
O      11.08359998       1.65597998       0.73892799      -1.08241739      -0.05470645       0.23279646 
O       3.44341001       5.69111003       8.76642000       3.64150027      -0.32030330       0.45177396 
O      10.88649998       8.93392996       3.08324000       0.85715462      -1.07112547       0.43147125 
O       1.31798004      10.74253422       4.14306005       1.74240703      -0.24859746      -0.29334552 
O       5.68702999       3.99699002      10.15080000      -1.94719124      -1.23326606      -2.21798321 
O       8.72199997       7.24213005       0.48321698       2.33039607       3.23009139       2.14852195 
O      11.30524928       9.35090003       9.08172997       0.84495448      -0.66038784      -0.60305906 
O       7.29897997       5.81061996       9.24487998       0.56549235      -3.52041342      -3.66119505 
O       8.82955995       7.06589002       6.38146997       0.28754122       1.07623061       0.87744820 
O       5.14944003      11.07160725       1.04019998       1.58380149       1.24527254       1.90629395 
O       9.28904999       3.81838001       6.75787994      -1.36228450      -0.20971027      -1.94973151 
O       3.61077996       9.08980995       0.44404104      -1.19783198       3.05436524      -1.00000364 
O       7.23281003       1.50251994       9.55092004      -2.58435366       1.60768684       1.03823188 
O       3.43803995       1.41809005       3.52595004       1.51638717      -1.16403942      -0.96424507 
O       7.11552002       8.78145003       8.91651996      -0.32010736       1.96259633      -2.20687147 
O       8.99833997       7.22238997       3.50301002       1.60903226      -1.92228546      -0.64116437 
O       3.34257003       9.40570999       6.24207997       1.78768607      -0.94254262      -1.22868683 
O       1.50246004       6.91286999       9.48237997      -2.10344444       1.22894552       0.34913700 
O       1.70317005       7.20023005       6.41035995      -2.58095250       3.33468728       1.48203278 
O       1.56470000       7.18190004       3.57882996       0.97356871       0.46657451       1.48289501 
O       3.39485003       1.55359995       1.00822996       0.57356095       2.83536107      -2.09360766 
O       0.02138978       1.50533997       9.19380998      -0.21709440      -0.80507413      -1.76402946 
O       9.37461004       3.12761005       9.37798003      -1.06270635       2.70870854       2.10788916 
O       5.45654998       7.27501995       6.86809999       0.15242673       0.24539641      -1.16203209 
O       4.97091002       6.45913002       4.37363001       0.49619762       0.38723821      -1.52994378 
O       3.36380999       4.54688001       3.21951000       0.64900524       2.00983603      -0.49682751 
O       3.38556002       5.42832997       0.67955698      -0.86218030      -0.92148117      -1.26775025 
O       9.44011004       3.36418998       3.86821995      -3.33129320      -0.13548926      -0.96758663 
O       7.17002005       5.26172000       6.55045005      -1.41726004      -0.86060065      -1.25718754 
O       5.29672997       3.76080000       1.54086001      -0.65060353      -0.35690811       0.44797601 
O      11.09030002       5.40027997       7.94841004      -0.50718399       0.85667360       1.91959231 
O       5.60714001       2.99308002       4.34790997      -0.92232170       1.14301131       0.16903577 
O       1.73654995       3.55638001       9.86332001       1.12090420       0.79344209      -0.03012392 
O      10.71200003       5.76729004      10.88079994      -0.17626702      -1.48586659       0.15977135 
O      11.08770000       9.38333999       5.92909005      -1.33539675      -2.89783516       1.33056860 
O       9.13758998      11.08959995       4.00677999      -0.78807521      -1.38097536       0.88489642 
O       5.96308004      11.34700002       3.64101997      -2.37795351      -3.26782576       0.19025021 
O       8.13940996      10.88462126       1.54304998       0.96153598       2.90226040       0.45743037 
O      10.76980004       1.80152995       6.56640002       0.65505840      -2.15375773      -1.02499933 
O       2.94430003       1.56110002       5.88294002       0.29925906       0.48740761       1.57146066 
O       1.17704005       3.37136004       7.30705999       1.07065705      -1.08056963      -1.72485756 
O       5.36085002      10.65860003       9.47079002       1.72827116       0.34638132      -0.94836532 
O       3.06085003       5.50209001       6.07061998       2.10425981      -2.05137989      -1.41134439 
O       1.05707002       7.58554000       1.08266995       0.84609465      -0.53789044      -1.63485051 
O       1.51921999       3.02531001       3.97607998      -1.43320755       0.34658523       0.62057323 
O       9.08615999      11.37974009       9.61173000       1.37761241       0.02793034      -0.22305569 
108
Lattice="11.41985229 0.0 0.0 0.0 11.41985229 0.0 0.0 0.0 11.07900785" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.08022505094714213 -0.007047370011155265 -0.009570154314412526 -0.007047370011155265 0.10112216480171973 0.005256015517062774 -0.009570154314412526 0.005256015517062774 0.08161583909813099" pbc="T T T" energy=-1037.44120751 free_energy=-1037.44120751 config_type=crystal 
Hf       1.51829003       1.49045003       2.16135002      -0.85909702       1.95577713       4.22357977 
Hf      11.17776124       7.44511001      10.57139995      -1.02828659       0.57609988      -0.31914119 
Hf       1.76751997       9.33049998       7.99379997      -2.26468617       1.37151388       0.37362168 
Hf       6.67945996       3.54526003      10.11899997       2.67454395       0.65657325       1.15194614 
Hf       9.00490994       5.16408005       2.33182005       0.35071705      -1.50953618       0.25849620 
Hf       3.62525004       7.41026998       5.15146998      -3.93171294      -1.73741464      -4.32055665 
Hf       3.66130000      11.36735283      10.46800001       1.06612966       0.79851342      -0.42506989 
Hf       7.51079003      11.09940004       5.18849005      -3.60737111       3.05956229      -3.62218249 
Hf       5.16105995       1.54790000       2.13442005       0.25935543       1.55454297      -0.52632376 
Hf       5.21018005       1.49239004       7.65501001       2.06715602      -1.67576376       0.13590678 
Hf       2.03238997       8.93764005       2.50944004      -5.84069932      -0.41579608      -0.82714210 
Hf       3.25156004       0.00317415       5.64497996      -0.21083323      -1.44694684      -2.41282868 
Hf       3.32755002       3.89861995      10.70160001      -1.84603938      -0.93349471       1.71174259 
Hf       7.47870002      11.10060004      10.89083190      -0.73601530       0.80464902      -1.38837044 
Hf       9.27792995       1.39904999       2.18441995      -1.94465508       1.31381790       3.14181476 
Hf       4.81627999       5.23760003       7.38287999       1.98747186      -1.15113781       1.39006609 
Hf       3.33251000       3.42356003       4.46792002      -0.04163387       1.91028418      -0.59592294 
Hf      10.90650001      10.64480005       5.15828003       1.64413331       1.00496715      -1.83429709 
Hf       8.98145003       1.46201003       7.73645002       1.42910107       1.00416655       2.37542889 
Hf       5.17209004       9.24120005       2.81203001       1.72454582      -0.54899843      -2.68434031 
Hf       3.87872999       7.47152995      10.89370690       1.26844837       0.35398895       1.13469135 
Hf       5.26660999       5.40376002       2.42125003       0.14787942       1.39829723       0.41900553 
Hf       8.73518000       5.63731998       8.04953004       1.64535985       0.96310191      -2.13922247 
Hf      11.25265732       7.23200997       5.27313001      -1.64375038      -1.42644548      -0.20684455 
Hf       5.66974996       9.22956002       8.10054001      -0.64526691      -1.81420841       2.77941366 
Hf       7.20864004       3.59828000       5.40500001       2.27093801      -0.30104688      -2.10097683 
Hf       7.04924996       7.43898999       4.91748001       2.30763408      -0.90748807      -0.16398216 
Hf       0.07775252      11.19250005      10.73170001      -1.63770766      -2.90115768      -1.07407492 
Hf      10.91230004       3.10347002       5.14921995      -0.96251020       0.92107991      -0.56339662 
Hf      10.57000002       3.16818004      10.58480001       1.72393157       3.57041213      -0.43863616 
Hf       0.87582604       5.25755999       8.05787996       3.25549012       1.40029655       1.15281788 
Hf       9.43065997       9.40336001       7.95222001      -1.23017677      -1.50046839       2.31534215 
Hf       1.58565003       1.76608004       8.00268999      -2.62859914       1.69753745       0.59565242 
Hf       7.34740004       7.29851999      10.98392714       1.12619852       2.95515438      -1.83273174 
Hf       9.02349998       8.98561999       2.17627998      -1.00979559       0.85969598       3.00653129 
Hf       1.47141999       5.41355003       2.15827005       0.14298425      -0.79678107      -0.02297624 
O       5.23871997       3.80224005       5.87075994      -0.56674764      -0.66408360       1.17735619 
O      11.28798132       5.02234004       4.90683995      -0.37804081       1.75502044      -0.10730164 
O       3.57919001       9.11970995       4.08854997       0.96051675       0.10313355      -0.30321698 
O       7.14894995       9.60030005       1.07327002       0.88742798      -0.40045781       0.85164286 
O       7.56952998       1.53385997       4.28356001      -1.51359300       1.51606039       0.70424553 
O       7.49272005       5.79322997       9.44700995      -1.41017066      -2.01015191       1.12283118 
O       2.11599996      11.23214030       1.51218996      -0.01727021      -2.34964269      -3.04491173 
O       9.33108000       3.69993005       1.01614001      -1.11068829      -2.38954388      -1.55953933 
O      10.70500003       5.76861996       7.42943997      -1.25906526       0.09995089      -1.52288545 
O       3.63845995       9.35602998       9.48104998      -1.69362154      -1.26935822       1.09748479 
O       5.67378996       7.32796996       1.14631004      -3.68766171       0.40044058      -0.87589306 
O       5.36290995       0.32527005       5.75286002      -1.26501006       0.02725209       1.43359258 
O      11.41797555       9.51525995       1.12983999      -0.11563402       0.32161130      -0.06313215 
O       7.26739997       1.43574997       1.54047998       1.21201305       0.16074963       0.24491568 
O       6.88163999       9.36673003       4.01534000       0.12592404       1.55537394       1.57127617 
O       1.36693999      11.00879996       6.57544999       0.75821838       0.35150742      -0.20219564 
O       1.36856994       4.12937999       0.35938396       1.03612743       0.20559194       0.88259649 
O       9.27781004       7.54488000       9.27869998       0.98668410       0.82178306      -1.09541469 
O       5.91628002       7.70477004       9.67503000      -3.12309708       1.84844331      -1.95523093 
O       8.94934996      10.72000000       6.27133998       2.98110437      -1.68888060       3.84185246 
O       7.25502999       1.52572002       6.80167003      -1.30619513       0.58445691       0.54467987 
O       7.09767996       8.95052998       6.95049003       1.51428901       0.45931393      -2.25928638 
O       7.18311998       5.60997001       0.56460098       0.53001598      -6.23041136       4.52829862 
O       0.16085696       0.96536796       3.83827995       0.48542884       0.95410363       0.27679634 
O       1.69523996      11.38965112       9.03390997       2.06736203      -1.72098689       1.95613373 
O       3.66768998       2.07181004       9.62076003      -1.13040662      -2.91403712      -0.19013941 
O      11.24343933       1.71970996       1.13229000      -1.77007766      -0.49676314      -1.03010935 
O       3.97835004       5.56750003       9.64335002      -0.41622367       0.26352102      -0.43076154 
O      10.03100000       8.69731999       4.32364995       0.86718061       0.93113622      -1.67850057 
O       1.39398996       9.86164999       4.03919997      -2.58747088       2.00181222       1.93319743 
O       5.41122004       3.35301001       8.61667996       1.10204733       1.39341539      -0.74454755 
O       9.41347001       7.69544995       0.94388704       0.53661230      -1.93488001      -2.58208021 
O       0.10865304       9.39983002       9.58457998       0.01367365       2.13983887       0.12559969 
O       6.93019994       5.53112004       7.03099996      -0.41425364      -1.60826945      -1.33824296 
O       9.05841995       7.11042999       6.13716998      -1.04299130      -0.09000338      -0.47408478 
O       5.43534002       0.41610596       0.27149995      -1.88242268      -0.86390480      -1.02516778 
O       9.22220004       3.62296995       6.34200998      -1.98108957      -0.88565220       0.13564373 
O       3.47712999       9.00382997       1.24790997       4.81787504       1.14410973      -0.79806107 
O       7.70581004       1.65961002       9.51010999      -3.10510098      -1.09848301       1.65092722 
O       3.35168005       1.53223995       3.80228004      -0.59537120       0.35863121       1.94568232 
O       7.76656000       9.61075001       9.40804995      -1.24886383       1.72160172       0.31314952 
O       7.66061998       7.45920005       2.70892998       3.11333354      -0.17959037       1.19547438 
O       3.72513001       9.97927001       6.87193000      -0.33637892      -2.51485706       0.92597664 
O       0.82871596       7.44867997       8.94363999       3.79432769      -2.20237717      -2.63771381 
O       1.79408997       7.20090000       5.99075003       0.29800998       0.84171780       0.84716908 
O       1.04700004       7.14993001       3.16401995       0.55908223       1.01207997       1.03081583 
O       3.16755995       2.08335997       1.31546001       2.56152404       0.59791579      -1.73902633 
O      11.37172995       1.49260998       9.59922997      -0.59043460       1.64020362       0.58870122 
O       9.05197001       3.39971001       9.19303998       1.40564792       1.25939833      -0.67846596 
O       5.21489005       7.38417002       6.07385998       1.64656449      -1.17336550       3.78847185 
O       5.25055002       7.35243002       3.56138995      -0.35497458      -1.53089776       1.36741221 
O       3.44207001       5.58888999       3.80735002       0.40448080      -0.79660058       1.82683383 
O       3.58361999       5.32084002       1.46956004      -0.71763596      -0.11380955      -2.27041257 
O       9.37015005       3.40909999       3.55132002      -0.38764447       0.26487769      -0.59345931 
O       7.09569005       5.45270996       4.17792998       0.41746461      -1.72638271       0.11965311 
O       5.16736006       3.59268005       0.61682797       2.39573855      -0.40886486      -2.24708000 
O      10.83150002       5.53375003      10.01879998       0.95022217      -1.62578682       0.12393623 
O       5.24480995       3.48258000       3.32827001      -1.15903803      -0.35866855      -0.41795667 
O       1.42358999       3.57991996       9.03171001       0.15782866      -0.81459245      -0.78503042 
O      10.85350002       5.30413003       1.95762003       0.64785458       1.79512022       0.50796135 
O      11.28848128       8.87215005       6.66594997      -0.53518330       1.43877236       0.90344683 
O       9.31158003       0.02174134       4.01824004      -0.08082374      -1.48935813      -2.45613300 
O       4.91121003      11.21249826       2.84693996       0.64337218      -0.91189930       0.31945383 
O       9.24457005      11.34392455       0.73320497       1.53227758      -0.18624602       0.18927194 
O      10.58369996       1.15699000       6.64426004       0.99390242       0.87662165      -1.00996965 
O       3.32451999       1.60066006       6.93858995       0.34695494      -0.25695205      -0.62476646 
O       1.09284001       3.17958996       6.36021002       0.62035494      -1.39832669       1.11654300 
O       5.27319000      11.01969998       8.75191000      -0.18616753       4.30129085       0.16585972 
O       3.03172000       4.92538001       6.77840999       0.29341649       0.82788949       0.09411643 
O       2.03358997       7.25264004       0.72330998      -1.66653200      -1.21110708      -1.13510365 
O       1.54992999       3.51989002       3.22627001       1.57835583       0.33870992       0.66100996 
O       9.76953004      11.13220003       8.91246997      -0.63051565       0.13838801      -0.90122874 
108
Lattice="11.42871434 0.0 0.0 0.0 11.42871434 0.0 0.0 0.0 11.0876054" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.08771096308335297 0.00674306913466603 0.0017471817923558606 0.00674306913466603 0.0729922187739865 -0.006194562429106194 0.0017471817923558606 -0.006194562429106194 0.09539685011985914" pbc="T T T" energy=-1027.43191782 free_energy=-1027.43191782 config_type=crystal 
Hf       1.23205998       1.56494997       2.23999998      -0.68884888      -1.14028311      -2.78016375 
Hf      10.82009999       7.19789001      10.39219999       1.55407288      -1.38568514       0.92381197 
Hf       1.08517997       8.81190002       8.03107003       1.02273909       2.05699845       0.15198720 
Hf       6.90555001       3.68662004      10.91620643       0.40127934       0.48443077       1.29814457 
Hf       9.18193002       5.18610005       2.53662004       1.64885747      -2.02383197       0.67612174 
Hf       3.73174998       7.62384996       5.13596997      -1.28093633      -2.27705552      -0.91680907 
Hf       3.51717998      10.78119996      10.13889999       1.69296615      -0.36945499       4.69617797 
Hf       7.06664002      11.12179999       5.27348998       1.94180775       2.11649885       0.90556060 
Hf       5.09154995       1.70972995       2.33181001      -2.53832398       2.00133349      -1.32049835 
Hf       5.53158003       1.59009005       7.80919995       0.37487278       1.14398266      -1.87370146 
Hf       1.73605005       9.30546996       2.54117006      -1.84014127      -2.26068233      -1.92945248 
Hf       2.94989003      11.31785833       5.03769997       1.49728540       4.60332224      -2.70421351 
Hf       3.19224003       2.57529003      10.65519999      -0.48187000      -0.38941500       1.79699899 
Hf       7.31669995      11.33799995      10.76640002      -1.74401579      -2.66805379       2.17637391 
Hf       8.92136002       1.34283999       2.43601997       2.89899970       3.18790409      -1.95980012 
Hf       4.87504005       5.23792001       8.68161998      -1.32105683       3.04573335      -2.87900037 
Hf       3.23395998       3.35606997       5.39157997       1.97772194       2.29285909      -0.12120720 
Hf      11.05160002      10.83370004       5.23905998      -2.39978652      -0.74445811       2.63980433 
Hf       8.99811995       1.45107997       8.23119998       2.69130855       3.27835459      -1.11063603 
Hf       5.44748000       9.24068995       2.50899005       1.38597154      -1.48518874      -2.69685810 
Hf       3.14518996       7.67425996      11.00920295       0.80498828      -4.56148329       0.28129263 
Hf       5.07979003       5.57021000       2.38276997      -1.39294157       0.39108507      -0.99617588 
Hf       8.79254995       5.10968995       7.72783999       1.87356850      -1.84841034       1.80819271 
Hf      11.23578038       7.13080002       5.10187004      -1.42770565      -0.36759299      -3.22571926 
Hf       5.77146006       9.14384005       8.05042999       1.33592648      -0.19464701       2.00046928 
Hf       6.65161003       3.21437002       4.81728004      -0.21041698      -1.17204391       0.99027027 
Hf       7.25509004       7.53827998       5.41351003       5.09419067      -0.18409479      -4.71331550 
Hf      11.05439995       0.08413637      10.75159995       1.88998663      -1.38002673       3.22462613 
Hf      11.21400000       3.07230002       5.11909996      -1.36180889       3.26714228      -0.43708128 
Hf      11.02230000       3.60980000      10.70010002      -0.74037751       1.40007143      -0.41933162 
Hf       1.63660995       5.60610999       7.72485997       1.05933411      -1.01798900      -1.16870557 
Hf       9.42340001       9.50620001       8.16698001      -0.01029008      -1.22020860      -2.68179946 
Hf       1.44901995       1.54826999       7.76179999      -1.11574329      -0.03083986      -0.04479144 
Hf       7.50213004       7.38271003      10.74370003      -1.74875684       1.77788049       0.08663442 
Hf       9.26723005       8.93565997       2.29734995       0.92947858       2.12095917       5.74732627 
Hf       1.39415995       5.56610000       2.12829003       0.80685409       2.41711414       1.13141273 
O       5.44425002       3.35963995       6.54668005      -0.87839679      -1.41236634      -0.04964982 
O      11.09500000       5.76818996       3.30943001       0.60136012       1.79595491      -0.94522415 
O       3.61326004       8.63325001       3.22427997       1.64692426       0.37125906       0.11878456 
O       6.78170000       9.47814995       0.67425203      -0.72803285       0.44301445       1.37640667 
O      10.85449996       0.84799895       3.59469004      -1.53776734      -0.29817770       0.26060256 
O       6.67536999       4.60964004       8.55502003       4.72868160      -1.22261157      -0.79082875 
O      11.08509999       9.29979995       9.35566001      -1.95309547      -1.24532213       1.26632261 
O       9.02763003       3.49721996       1.33534995      -1.54128777       0.38882835      -0.93996408 
O       0.69333496       5.01339995       5.39420995       0.29629268      -1.40429747       0.64484849 
O       3.86331002       8.36474997       9.25093004       2.49333993       3.59684287      -0.66103482 
O       5.34718001       7.49848999       1.29718996      -0.31387100       0.70221974       0.57092306 
O       5.62956000      11.05639997       6.74222006       0.98579333      -1.31224614       1.14102247 
O      10.99419999      10.54309995       7.39503997       1.43648139       0.98705189       2.63196990 
O       7.34727999       1.88033003       0.71335203      -0.19427816      -4.04035402       1.11882045 
O       7.83981998       9.40227003       3.77640004      -3.47173684       1.76604972       1.31429273 
O       3.40615996       1.49695003       6.12704002      -1.29976774       2.05519396       3.11483232 
O       1.41944998       4.01749001       1.03455996      -1.81737959      -2.13834682      -1.43502575 
O      11.40109354       6.71639004       6.97532997       1.41673206       0.48903866       3.59404822 
O       6.43395005       6.75386000       9.25456999      -1.87662890       2.22564711      -0.24953374 
O       9.25168997      11.26257832       6.07641002      -3.87417175       0.27142680      -0.96851077 
O       7.35631999       1.66710999       6.47419006       0.14621818      -1.34209276       1.77969781 
O       7.71857995       9.08299998       6.80564005      -1.57152798       0.40553653       0.44399011 
O       7.05327003       5.69123002       0.77048202       1.84359780      -0.30320270      -0.99085092 
O      10.74960002       1.84976004       1.04815003       0.97833875      -2.34557192      -1.12867676 
O       1.80986995       0.70207004       0.40226298      -1.82970917       0.30562310      -2.20989313 
O       3.81925999       1.49388999       8.87507995      -1.45309905       0.99347045       0.57210951 
O       9.08061995       3.33169000       9.45573995       0.50844000      -1.33573739      -1.15824143 
O       3.05328995       6.09461004       9.38386001      -0.12186289      -2.63682140      -0.79380298 
O      10.77179995       9.19061995       3.96172005      -0.94408763       1.50530829      -2.89901205 
O       1.92324999      11.19552434       3.17624004       0.35614247       0.48830917       0.88937217 
O       4.87645995       4.02755996      10.13329997      -1.50748727      -3.09962410       1.91272409 
O       9.48493998       8.11173001       0.66834001      -0.24815145      -2.97398612      -3.16977595 
O       2.19101003      10.78650002       8.89088999      -3.73783189      -0.33802412      -3.24500171 
O       8.15903003       5.99582995       6.18858000      -1.56928344       1.73622294      -0.19236640 
O      10.30940000       8.90150000       6.26175996       0.49632718      -3.22855970      -0.22519541 
O       4.32847001       0.78547302       0.23309295       1.29918530       1.75919601       0.00908768 
O       9.63919002       4.04393000       6.22040996      -0.48063508      -0.67113913       2.06429814 
O       3.02079000       9.41354000       0.80712900       1.79062904       2.95983021      -0.67979619 
O       6.80926995       2.15202005       9.38714005      -0.29258089      -3.46828816      -2.28394072 
O       4.92102005       3.19767004       3.73994998       0.09397521       0.59684219       2.37840864 
O       7.71125997       9.16782995       9.60997996      -0.82625696       1.96319534      -2.56070977 
O       8.80987999       7.11116001       3.53853997      -0.07410996      -0.01022167      -0.97314943 
O       3.04554997       9.56767004       5.39731004       1.89932385      -5.29529289       2.17230895 
O       1.37839004       7.87046996      10.08879998      -2.38838234      -0.33186659      -3.20434633 
O       2.49040006       7.32893999       7.19770000      -1.21903501       2.36893762      -1.49185288 
O       1.29742000       7.97805999       4.20734000       2.49476506      -0.70172123       0.48335820 
O       3.13506995       2.33627001       1.65476002       1.17777565      -0.05399845       0.96544064 
O      11.12330001       1.42666001       9.29831004      -0.90875930      -0.73508840      -1.07111896 
O       9.29790998       7.22789004       9.16383002      -1.29501244      -0.19966805      -0.46945071 
O       5.64260004       7.88220999       6.19574004      -6.20210714       1.89415527       3.81093899 
O       5.69885995       6.96993996       4.01686004      -0.22367078       0.87860681      -0.35381423 
O       3.33533005       5.54214005       3.92493004       0.12064418       0.59410888      -0.89591669 
O       3.49611995       5.61803997       1.09601002      -0.12869789       1.28127505       1.13778570 
O      10.23110005       3.55057000       3.40697998      -0.42300440      -1.59134348       1.81200595 
O       7.38341004       4.40604001       3.50582000       0.68776999       1.19552573       0.67492975 
O       5.66108999       3.72990996       1.58883999       0.57086765      -1.23840522      -2.07415696 
O      10.90600003       5.20468005       9.17060000       1.16194635       0.44275213       0.65826290 
O       7.66916001       1.54456000       3.99744997      -0.54032204      -1.06567304      -1.01048340 
O       1.25312996       3.07304997       9.46085001       2.84982802      -0.00950413       1.11930982 
O      10.62210003       5.44866002       0.74676497       0.35963532       1.16097832      -1.08263175 
O       1.47735996      11.33149998       6.37520003      -0.85750093       0.71998591      -1.25694644 
O       0.25343197       9.97701996       0.94285803      -0.57350718       1.13392174       0.84895641 
O       5.54936002      11.30040005       2.55696003       1.37461437      -4.11678378      -1.27418527 
O       8.86044005      10.79047139       1.29781996       0.06091457       3.04395257       0.44446003 
O      10.87057833       1.61186998       6.67372005       1.58821548       1.66257303       0.11199519 
O       4.77879004       0.80766004       4.53175003       1.67257933      -1.08385089      -1.28825907 
O       1.99681000       3.45293003       6.91813002      -1.96553475      -1.48258112       1.47233916 
O       5.38586998      10.70470003       9.41525001       2.35307751      -0.25378394      -1.35146651 
O       3.74076998       5.24986005       6.69673005      -0.55264934      -0.46306505       0.96103523 
O       1.55414001       7.59832004       1.33846002      -0.92414132      -3.08805880       1.72221345 
O       1.63096005       2.31494998       3.92426002       1.05358203       2.71230119       4.33732018 
O       9.05812001      11.37708455       9.66854004      -0.77782546       0.77831550      -1.11635407 
108
Lattice="11.43753217 0.0 0.0 0.0 11.43753217 0.0 0.0 0.0 11.09616005" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.08509752063534792 -0.0077194505521023275 0.00039906456110984096 -0.0077194505521023275 0.0912644278737437 0.002142989671317017 0.00039906456110984096 0.002142989671317017 0.12413320321744144" pbc="T T T" energy=-1032.75581523 free_energy=-1032.75581523 config_type=crystal 
Hf       1.41678998       0.92708495       2.57355004       0.99711104       4.16530630      -1.51041475 
Hf      10.86160004       7.41676999      10.74820001       1.85613478      -1.50140553      -0.81574940 
Hf       1.30031004       9.51604003       7.98761997      -0.69145307      -0.67651064       1.24522829 
Hf       7.10776996       3.83888998      10.23429999       0.58390259      -2.13097849       3.92943258 
Hf       9.39288995       5.40871003       2.62967997      -0.18742767      -3.53658630      -2.10333032 
Hf       3.64115998       7.85165996       5.31117002      -0.43387991      -0.41746458      -1.07156781 
Hf       3.48340004      10.48849996      10.81737502      -0.78531084       2.52146683       2.26380881 
Hf       7.68398997      11.06860004       5.05879995      -1.99203610       1.34879175       0.09791213 
Hf       5.59351996       1.31601000       2.17874001      -4.34336656       2.47118503      -0.03104140 
Hf       4.94859996       1.68326996       7.82283001       2.61975399       0.99549453      -1.28034094 
Hf       1.04964006       8.72668001       2.12417997       0.34264730       2.46105162       0.30379672 
Hf       3.24472997      11.21360004       5.11885004       0.86893153       1.39955436      -0.20920371 
Hf       3.36100003       3.26746001      10.79729996       0.56541961       0.19146271       2.20038235 
Hf       7.33006995      11.20136520      10.84120003       1.40251783       0.16132205      -0.10178975 
Hf       8.76182995       1.70676997       2.23790995       2.93429431       1.89269833       1.23092586 
Hf       5.06051998       5.43210996       7.61627998       0.02895373      -0.11710755       3.04171845 
Hf       3.23839003       3.69390005       4.99370999      -2.07131555      -1.68704014       0.73912552 
Hf      11.32674320      11.15789995       5.31429004      -4.37959046       0.03797837      -3.08520482 
Hf       9.11755996       1.43488004       8.01574995       1.04356373       2.73478452       1.61311286 
Hf       5.50349000       9.17800000       2.32267996      -1.73429511      -1.33923330      -1.08564133 
Hf       3.46836003       7.17641002      10.44330005       1.28033783      -1.99640653       1.33049463 
Hf       5.55969003       4.86345999       2.59227004       0.24200826      -0.58374067      -0.82446390 
Hf       9.00685997       5.14187995       7.64290000       0.90701850       2.56027445       0.36071075 
Hf      11.25299994       7.16077000       5.38423002      -1.37732701       1.58332713      -0.11032665 
Hf       5.48270995       9.40319997       7.91651999      -0.12136588       0.74220476       0.75977961 
Hf       6.89693003       3.53352000       5.16711001       0.44380565      -3.39852262       1.72920667 
Hf       7.25997995       7.16032004       5.01949003      -3.20665173      -2.37131665       2.18285796 
Hf      11.14707318      11.17100004      10.82980006      -1.40508461       3.23338922       0.43903943 
Hf      10.98160000       3.59019994       5.26409001       2.58155124      -3.02927192       0.73810802 
Hf      11.07799998       3.35461995       0.10954595      -1.86403881      -4.31153018      -3.51118260 
Hf       1.53819001       5.49197000       7.90306002      -0.04224282      -2.30968620       0.42492575 
Hf       8.85831994       9.56282995       7.84581004       2.79752573      -1.73365107       2.47424110 
Hf       1.39629004       1.72030000       8.43768000      -5.81896745       1.56300810      -0.28810386 
Hf       7.66910997       7.40019003      10.58070003      -2.22979636      -0.62306049       0.55752159 
Hf       9.08454003       8.81072002       2.72100003       1.50913119       2.41882733      -0.40684147 
Hf       1.58988994       5.30228997       2.36620997       0.86024108      -1.96751442      -3.32504255 
O       5.32625995       3.56425001       6.76691997       0.58036687       0.37727544      -3.14182585 
O       9.08894005       7.27976997       4.20880003      -0.43797880      -0.90301417      -2.32410890 
O       3.02967005       9.42894997       6.66007005      -0.63563383      -3.55383443      -1.91781461 
O       7.13525000       8.74165997       9.16329996      -1.17096958       1.22075777      -1.41411686 
O      10.85620004       1.45957002       4.02897000       0.52426053      -1.90806612       1.00331527 
O       7.78116004       5.33753998       9.29695997       0.31985134       2.59437304      -1.72863722 
O      10.90729996      10.19409995       8.47510002       1.80166503       0.19385985       2.25316846 
O      10.21240000       3.04347001       1.79299999      -3.20266271      -1.02944044       3.66173341 
O       0.03466785       4.84151000       1.09699002       0.09929182       5.15137454       2.76989611 
O       3.12192999       8.89720000       0.99275901      -0.01432880       1.15305998      -1.12631199 
O       5.36266996       7.49622000       0.73792305       0.82827776       1.79368784       1.53602169 
O       4.48468999      11.13385117       6.82468003       2.72763706       0.63314533       1.13473609 
O      10.68978921       9.34161995       6.42170001       0.98952992      -0.44619608      -2.36097289 
O       7.08824998       1.56204996       0.91430395      -0.61919619      -1.98728850      -2.30462542 
O       6.92143998       9.31590998       3.78571998       1.65754611      -2.35004363      -0.28637393 
O       3.51812004       1.82735004       5.68954996       0.70838182      -1.56064406       0.62473215 
O       2.11754997       3.21573994       1.56232003       1.03244438       1.73631689      -0.45779082 
O       9.27963002       8.36116004       9.89844997       0.90772766      -1.38028072      -0.74747397 
O       3.76441003       9.41272995       9.21982002       0.87429222      -1.48355279       0.49412116 
O       9.11078997      10.82860002       3.67508005      -0.36408308      -0.69264026      -0.08358423 
O       6.87918996       1.33031000       5.93021003       0.30255104       1.17155339      -0.01600246 
O       9.22658000       0.25734299       6.40465997       0.09694745      -2.42453330       0.03042752 
O       7.75783994       5.27053000       0.85972105      -0.44073932       1.20232322       2.00970752 
O       0.44229600       1.47735000       0.76808297      -0.92850245       0.01830640      -0.75018127 
O       1.43451999      10.91510001       3.90685997      -1.18594456      -1.24621962       1.43571540 
O       3.21980999       1.63892996       8.77765003       2.77108449       1.23191150       0.30490005 
O       9.11002994       3.34487003      10.77429995      -2.09696345       0.52875175      -2.10571744 
O       3.30779000       5.36474999       9.16765997      -2.02246752       1.95553552      -1.70821869 
O      10.98120003       8.89159996       3.60141997      -1.12245366      -0.34899854      -1.88515463 
O       1.05651996       7.10240999       6.91261000       0.69120870       1.42069713      -0.03523340 
O       4.88272000       3.56856997       9.00997999       0.01581261      -0.05074498       1.42000980 
O       9.57858995       7.02299005       1.33177001       0.16710986       0.46142177       1.21422204 
O       1.19245995      10.92089999       1.17023999       1.71939013      -3.77536544       0.51581999 
O       7.18811999       5.53051997       6.45389996      -0.43228324      -0.93273164      -0.68502450 
O       9.31159998       7.07675000       6.77546002      -0.96896261       0.41313208      -0.23987254 
O       5.26927004      10.79800004       1.07805997       1.90408970      -1.46767064      -0.40440241 
O       8.74001995       3.26641999       6.99326999      -1.10313455       1.08977762      -1.05301814 
O       4.29618002       9.34228997       4.00506998      -0.74478031      -1.61321355       1.03624329 
O       7.04958003       2.32006005       8.96798002       1.03908577      -1.91518348      -1.04180313 
O       5.09811000       3.05417005       3.74984998      -0.96065177       2.72687270       0.52993196 
O       7.18063001       9.50881998       6.65572003       1.75152914       2.32969781      -0.97864924 
O       8.05677997       9.17858994       0.97054705      -2.65662387       0.37019856      -0.01843416 
O       1.92896004      11.24260002       9.40321003      -2.24626592      -1.59946966       0.36622525 
O       1.34454001       7.85853003       9.53258005       0.58522512       1.24788327      -0.47499869 
O       0.03477067       5.58572997       3.84192003      -1.01661303       0.15635419       0.54053732 
O       1.51965000       7.87844003       4.33201001       2.67733771      -0.63525975       0.09365966 
O       3.77305006       1.33863996       0.65256096       0.03984140       0.84254842      -2.22481902 
O      10.54949998       1.50076000       9.63317995       1.53162747      -1.83581885      -0.70356957 
O       5.44552001       6.84678995       9.35399002      -1.46595268      -0.42227624      -1.34744942 
O       5.71989005       7.64263002       6.34457005      -2.88797919       0.73070198       0.72105742 
O       5.25168003       6.50704995       3.92849005       1.67887997       1.85329613      -0.05473907 
O       3.22043002       5.31753002       3.62776004      -0.50979785      -1.66460807      -0.49890600 
O       2.67355997       5.75520995       0.54014898       3.49230995      -1.77804459      -0.51022913 
O       9.52719003       3.73016000       4.04257001      -1.22497354       2.00913087       1.03731922 
O       7.18003995       4.98952001       3.86592003       1.25791435       3.31044594      -0.28928665 
O       5.30042005       3.93876000       0.60150797      -0.98959670      -0.02954758       1.00091784 
O      10.90439997       5.11169996       6.73805997       0.10567323      -0.37002494      -1.46539280 
O       7.29643994       2.92002998       2.85659001      -0.80682622      -0.31628344       0.39012586 
O       1.13436998       3.39818002       9.72929000       2.96333559      -1.07795933      -1.74145063 
O      10.61569996       5.93241999       9.45963001       0.12953332      -0.35717752      -0.50086931 
O       1.40907994      11.42649998       6.32553004       2.04391651       0.50516645       3.34050904 
O      10.78890000       9.31987995       0.72126205       1.25559153      -0.57697834       0.77996643 
O       6.47178003       0.58802995       3.61657000       1.72931830      -2.90052505       0.89372947 
O       9.20986004       0.46786598       0.83683400       0.75536943      -2.86487973      -2.06321498 
O      10.87293521       2.22787000       7.27885996       1.98425328      -0.72063633      -1.42617015 
O       3.61390000       0.13676498       3.06083003      -0.40771450       2.22879590       1.09358809 
O       1.69800001       3.81183999       6.72863001       1.00127050       0.78428095       0.50948948 
O       5.99893004      11.20030002       9.26453000      -1.15815870      -0.37707962      -0.23048187 
O       3.46683003       5.81979003       6.43694003       0.23914166       0.66070187      -0.08896996 
O       1.21664003       7.08015998       1.06675997      -3.64329557       3.22558022       2.65270600 
O       1.52090001       2.73989000       4.26662001       0.72348101       2.27681085       0.12123234 
O       8.75934995      11.04550000       9.35038998      -1.41926753       0.23940412      -0.98195316 
108
Lattice="11.44637877 0.0 0.0 0.0 11.44637877 0.0 0.0 0.0 11.1047426" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.09305565838649892 -0.0027831482010850224 -0.005530888270966836 -0.0027831482010850224 0.0827870297868723 -0.0010852931427321449 -0.005530888270966836 -0.0010852931427321449 0.11621864682872797" pbc="T T T" energy=-1033.80270607 free_energy=-1033.80270607 config_type=crystal 
Hf       1.52316997       1.66170995       2.05152002       2.09427144      -1.13470976       3.31967828 
Hf      11.03300001       7.19755005      10.68269997       0.29196753       2.41527115      -1.50461795 
Hf       1.22137005       9.27734001       7.43532999      -1.35255353       1.13143625       2.03827872 
Hf       7.02563002       3.91527999      10.58380002       0.89377734      -2.88405371      -1.28309356 
Hf       8.81556997       5.12505005       2.72408997       0.09076945      -0.37590005      -0.98316512 
Hf       3.13608996       7.38251002       5.31808999      -0.05895145      -1.62214337       1.45426362 
Hf       3.35442002      10.92409997      10.98992856      -0.59552983      -0.78677536      -1.11827041 
Hf       6.72182000      11.24606474       4.77734000       0.39619465      -4.00500145       0.88110671 
Hf       5.58128004       1.63999995       2.48002005      -1.89728098      -0.16566789      -4.11326904 
Hf       5.62613005       1.74023005       7.97026998       5.30276600      -0.48961907       1.38606441 
Hf       1.12726994       8.98941002       2.75024997       2.54731022       1.53630628      -1.34456746 
Hf       2.95208003      11.06859997       5.40973999      -1.16678786       2.56574454      -0.66157744 
Hf       3.51595006       3.70363003      10.63980002       0.06218438      -0.42154944       0.15864721 
Hf       7.04904004      10.75419999      10.80510000      -0.48925346       3.77921447      -0.70044142 
Hf       9.23433002       1.61332004       2.07129002      -1.43839706       0.13186303      -3.70701751 
Hf       5.57584004       5.43107002       7.85780004      -0.93398647       0.49689597       0.76195321 
Hf       3.55413998       3.57556005       5.44383999       0.42608411      -2.20390944       0.59009625 
Hf      10.43329996      11.22270005       4.55670997       5.05205767      -0.90073124       7.65696025 
Hf       9.62389996       1.47584995       7.58419995       2.25828211      -0.36644024       1.78734800 
Hf       5.12689005       8.84807002       2.53269995       0.00074393       0.66701792      -0.20931498 
Hf       3.39745005       7.28352998      10.53469996      -1.42914096       2.46532467       0.72947700 
Hf       5.14451004       5.19368998       2.72999003      -0.09049575       0.78725730      -1.49528571 
Hf       9.01859004       5.41994001       7.58915000       2.71530183      -1.00411556       2.18924201 
Hf      10.93429995       7.02771005       4.94164999      -1.49002436       3.53290896       2.88200613 
Hf       5.56439995       9.39799996       8.07527998      -0.80657505       1.26521409      -0.04844816 
Hf       7.65966005       3.04374000       5.26120995      -0.68162014       2.12023201       0.97838065 
Hf       7.17342005       7.59159003       5.23612000       1.75494954       1.21043604       0.21237963 
Hf      11.34102973      11.07180003      10.76449995      -3.76210754       0.48152405      -1.38298202 
Hf      11.07670000       3.85800002       5.06970000       4.52407858      -4.41879737       3.00911263 
Hf      10.95449995       3.56141999      10.52080004      -0.58956585      -1.54616614      -2.64380236 
Hf       1.38407002       5.20354004       7.75960002       0.51974873      -0.75327509       1.16208254 
Hf       8.99752001       9.31274000       7.80315005       4.63156462       2.74926901      -1.82015235 
Hf       2.13661002       1.72004997       8.42308996      -2.62150903       0.12690443      -0.78557065 
Hf       7.24612997       7.15260000       0.01324340      -0.00944587       0.22091273      -1.63777016 
Hf       9.24612997       9.15532997       2.13389000      -1.23522585       1.37453146      -0.71284611 
Hf       1.26772995       5.35849002       2.15077998       0.65177933       0.36149739      -0.25917723 
O       5.77218996       3.30830004       6.39743999      -0.63820679       1.37302721      -1.87409452 
O       8.92372005       7.21924002       4.00116002      -0.99040394      -0.83592019       0.64326321 
O       3.30551994       9.35432000       6.60644002      -0.41535482      -2.05919324      -1.37182634 
O       7.44572001       9.56681000       8.98015004      -1.03499840      -0.33440251       1.26558834 
O      10.77319995       1.08124005       3.20031997       2.41458250       1.89607983      -2.53490848 
O       6.80539001       5.97610994       9.53659004      -1.09298976      -0.65978506       0.15695393 
O      10.75340000       9.04613003       9.09852005      -0.49466190      -0.46330200      -0.92944997 
O       9.51898005       3.56010000       4.16549000      -4.65696433      -1.72141962      -3.38531399 
O      11.08286982       4.94379000       0.84854803       1.40005157       1.53166167      -0.34782318 
O       5.15734005       7.15996002       1.18489003      -0.95548729       1.71539046      -0.33567198 
O       7.20964006       5.55328003       1.09755001       1.37781269      -1.43097498       1.23162747 
O       5.32582995      11.44440003       6.86811995       0.57094138      -1.47378151      -1.66497683 
O      11.12690004       9.69738995       6.21643002       2.13386657      -3.02340839       1.49831171 
O       7.37377998       2.10512000       0.96591205      -2.86560781      -2.51042177       1.83778949 
O       7.16450000       9.62578003       3.58117000      -2.81596969      -2.24161686       0.38092094 
O       3.90441005       2.16302002       7.47988999      -5.38159700       1.33706199      -2.80327368 
O       1.57292005       2.86621995       0.61935702       0.41537527       2.53989843      -1.46313599 
O       8.98136001       6.80108995      10.05680003       1.59813864       1.04259751       0.35246728 
O       2.89498996       9.81994999       9.44579999       0.55326192       0.56900646       2.06348026 
O       8.78627995      11.11079578       3.80882999      -3.13672846       1.01433980      -1.06388056 
O       7.64244000       1.85272002       6.76783002      -0.34899596      -3.00534729      -0.56689229 
O       9.59833001      11.15760003       6.69560000      -2.47883822       0.19114166      -0.70393109 
O       9.03874998       3.46624004       1.34086002       0.95273204       3.27464152       2.82117392 
O       1.37388996      11.18140472       1.37338004      -1.65835670       1.33484951      -1.19110118 
O       1.22129004      10.34809999       4.51144005       2.67944447      -0.37818772      -2.38309044 
O       3.89777000       1.89188003       9.88813998      -1.90266488      -0.35664008       0.52888609 
O       8.88176999       3.66714001       9.42371999       1.44304731       2.23859339       0.44951141 
O       3.67367005       5.63998005       9.62636000       0.15636616      -0.94133962       1.00128764 
O      10.59549996       9.17323005       3.69010996       1.90536763      -0.73442454      -1.96851489 
O       1.36783002       7.29592995       6.36180998       0.65579335       0.18099827       0.84226952 
O       5.54555006       3.88655999       9.01698003       0.37061550      -1.77191177       1.34292329 
O       9.59882003       7.37492004       1.46477996      -0.12257125      -1.10552052      -0.71067424 
O       2.99672000       9.46298002       1.49245997       1.72865240      -0.61329264      -0.69517895 
O       7.21591004       5.74280997       6.80741998       2.47543766      -0.92436798      -1.88232095 
O       9.18800996       7.56975000       6.49172003      -0.51196547      -0.70925094       1.43877177 
O       5.69685001      11.15020006       1.50578000       0.67803977      -0.62091913      -2.53581626 
O       9.19986005       3.60434998       6.61001997       0.41034359       2.13280144       0.25772954 
O       3.48416999       8.48418998       3.83025004       1.48786294       0.74445850      -0.95727313 
O       7.16556005       1.76506995       9.32281997      -1.45232307      -0.16490412       1.24183372 
O       4.85049000       3.34326999       3.49009001       0.54158856      -1.84328226      -0.33256028 
O       7.27443995       9.60325001       6.34817002      -0.52545184      -0.87427735      -0.94788305 
O       7.42651002       9.20567000       0.80179195      -0.36439516      -2.47172549      -0.00704253 
O       1.26167000       0.25595499       9.55065997       1.31950466      -0.10802939       2.91833835 
O       1.56458995       7.71911002       9.47915997       0.24244791      -1.86573778      -0.08204690 
O      11.01179994       5.42763999       6.41628996       0.17823008       0.13578012      -2.54110832 
O       1.43417998       7.07938004       3.92365003      -1.43440191       0.79691424      -1.63382615 
O       3.46212998       1.39507995       1.70599995       1.05253182       0.13414647       0.06242642 
O       0.10528104       2.17170004       8.52561005      -2.18209493       1.04373845       0.19444545 
O       5.02678003       8.26611002       9.81672005       0.58232190      -0.51153316      -1.13401637 
O       5.73345003       7.50646995       6.85324004      -1.47793205       1.51745586      -0.46957971 
O       6.18443003       7.04791005       3.35126995      -0.99714248       1.01011588       2.71869221 
O       3.88383003       5.34043999       4.32265998      -0.72154178       2.13484700       1.73492857 
O       3.18996005       5.36525002       1.63080996       0.29268900      -1.26656067      -0.29089238 
O      10.73540000       5.50530997       3.88671999       0.22659610      -0.23197383      -3.36441892 
O       7.22803999       4.56424994       3.77067998      -0.45736671       0.68474358      -0.48784882 
O       5.28648005       3.73906001       0.58270005      -0.75910573       0.44523471       1.15198351 
O      11.06770005       5.76750999       8.57521005       0.04201243      -0.37453160       3.27485756 
O       7.25106999       1.59178002       3.81860005      -1.42813120      -0.29294951       0.14928623 
O       1.73900002       3.74870004       9.31727004       0.69001730       1.80718091       0.24259075 
O      10.56800003       1.94319999       0.33865700       0.50639778      -3.09915620       1.43187353 
O       1.82633006      11.36761177       7.24763996       1.40379265      -0.39311434      -2.49346076 
O      11.15125873       9.28473002       0.61206299       0.54701966      -2.17863216       1.82397404 
O       4.71299003      10.93730004       3.69436997       1.84596904       0.95616615       3.10911906 
O       9.32790004      10.90790002       0.92375301      -0.83350519       1.56102270       0.99449713 
O      11.17099996       1.70283004       5.80804001      -2.60366982       0.64230995      -0.80431587 
O       2.65591998       1.64076995       4.44813002       1.34494294      -0.59557211       1.78389477 
O       1.76580996       3.44780003       6.68913004      -0.01786626       2.44674014      -1.44728769 
O       5.27239001      10.94640003       9.50990001       1.17308095      -0.40907776       1.94339041 
O       3.75060002       5.33644005       7.12922998      -2.49708846       0.27803260      -2.39345540 
O       1.36681003       7.07697996       0.90639596      -1.19197046       0.27333164       0.93682699 
O       1.29330001       3.87463996       3.52744003      -0.92033779      -0.41364219       0.42405032 
O       9.67764002       0.15335000       9.17821001       0.40443097      -0.31508631       0.76321962 
108
Lattice="11.45535556 0.0 0.0 0.0 11.45535556 0.0 0.0 0.0 11.11345147" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0728504888816313 0.002232846992994894 4.889497136769105e-05 0.002232846992994894 0.08685712504063023 -0.0004025646621144355 4.889497136769105e-05 -0.0004025646621144355 0.11506087405516585" pbc="T T T" energy=-1034.0153368 free_energy=-1034.0153368 config_type=crystal 
Hf       1.77530003       1.87807003       2.24708999      -1.46827389      -1.65383042      -1.77397636 
Hf      10.84510002       7.04798002      10.80399997      -0.14475079       3.69246199       0.11747326 
Hf       1.28670998       9.18217004       7.88596002      -1.67138512      -2.91393114       3.10659570 
Hf       7.62412003       3.36107005      10.44800000       0.31686151       2.00566472       2.09165661 
Hf       8.87572003       5.07587996       2.25103004       0.47271951       2.18009839       3.40607447 
Hf       3.33584994       7.26087001       5.09622998      -0.31669206       0.99583114      -3.22596959 
Hf       3.33174996      11.24729996      10.46880005      -1.52321772      -1.68775554      -1.48858275 
Hf       7.09449999      11.17565759       5.17507003      -0.13707476      -1.56402948       0.25890234 
Hf       5.51551005       1.82009001       2.67622002       1.28462587      -3.64278706      -1.21531037 
Hf       5.52487995       1.40921997       8.03226005      -0.58486390      -2.92101355       1.01944525 
Hf       1.46383006       9.09975998       1.88501996      -4.39495549      -0.04540183       2.69726173 
Hf       3.27341001      11.29109997       5.06176006       1.22483457      -2.54272797       1.22178454 
Hf       3.58798999       3.78057995      10.55909995      -0.25098316       0.15177539      -0.17038503 
Hf       6.88728005      11.05599999      10.89165143       0.81535973       1.11214804       3.30022680 
Hf       9.17422002       1.60693998       2.42460004      -1.67193105      -0.76176478       0.73096841 
Hf       5.09492999       5.26955005       7.54478995       1.89136346      -0.30563991      -1.71526692 
Hf       2.94266995       3.43674997       4.91853001       1.12805969       1.65809098       3.15453913 
Hf      11.14000005      10.93670002       5.35586999      -0.96080400      -0.46712436      -0.27543668 
Hf       9.26627996       1.65744997       7.85413999       1.00348221      -1.01926271      -0.47126007 
Hf       5.45490996       8.67456995       2.44162996      -1.06533306       1.94259520       1.62885571 
Hf       3.72163997       7.27546998      10.38249998      -3.77981730       0.87028638       1.83769196 
Hf       5.20429003       5.15034997       2.34977006      -1.25950884       5.22865334      -1.61210921 
Hf       9.28505998       5.77749002       7.88785998      -0.31121043       1.53436901      -0.36814467 
Hf      10.91829997       7.34096002       4.54885004      -0.29098758      -0.95472957       0.84132526 
Hf       4.84921994       8.71943003       7.75912998       1.24605035       3.72864719      -0.55926085 
Hf       7.03322999       3.65714002       4.91410996       1.72743720       3.03337232       0.93636644 
Hf       7.01835006       7.56393004       5.40460003       6.27802191       0.71026992      -2.57119150 
Hf      11.22370158       0.18869605      11.08069791      -0.18264951      -2.94177674      -2.26855811 
Hf      10.96219998       3.17761001       5.33905001      -1.31177243      -0.46828324      -0.19447770 
Hf      11.41371179       3.51990005      10.66810002       1.18111290       0.31411924      -3.47994536 
Hf       1.46388000       5.79300996       7.53115997      -1.72206248      -1.68888336       1.98622637 
Hf       8.94854001       9.50443004       8.35628996       1.19159023      -3.44508340       1.25144884 
Hf       1.59881000       1.42400001       7.80468002      -2.02301895       1.84371319       0.89663277 
Hf       7.39164997       6.93655996      11.09549702       0.84335882       1.63525798      -1.15955869 
Hf       9.22059004       9.41944997       2.18534999       0.96487010      -1.08588436       0.31608699 
Hf       1.51174999       5.43090995       2.15366998      -1.61907198       1.71967590      -0.45676274 
O       5.07398994       3.85463000       5.44824000       0.35444549      -0.75746605       0.06819541 
O       8.82756997       7.40202004       6.99600005      -1.44109429       0.92811067      -0.26031430 
O       3.42353004       8.75360995       6.45099995       1.02354996       0.76360112       1.06994002 
O       7.03729000       9.85350004       9.48843004       1.98283617      -0.81684122      -2.08829501 
O      10.66470005       1.12594999       4.16688005      -0.90649280       2.04612045      -1.55118081 
O       7.64938000       5.55025998       9.54029996       0.71609935      -2.72943577      -0.06519497 
O      10.80570001       8.56213998       9.04355002       1.26283269       1.45298564      -1.00639718 
O       9.21910004       3.73548995       3.76121996      -1.40929532      -3.54589879       1.34014996 
O       0.04431000       5.33928005       0.33293700      -0.44213812      -3.51242089       1.41392995 
O       5.44405005       6.97487996       0.93781905       0.36009742       1.27457379      -0.16317345 
O       7.26604005       5.21102005       0.96777802      -0.19593147      -1.10437165      -0.03609655 
O       5.09546999      10.90010004       6.91586995      -0.97124696       0.98516199       1.79572923 
O      10.92219994       9.22666000       6.41441002       0.90554805       1.52939504      -0.21046775 
O       6.81874003       1.66888997       1.19481995       0.32933705      -0.12263837      -0.79069234 
O       6.55751004       9.11634997       4.06535000       0.15098241      -0.39155475      -0.68753972 
O       2.94353998       1.57423998       6.19788998      -0.75409865       1.61688891      -1.37212919 
O       1.90647004       3.57846005       1.00993001      -0.04292395      -1.56204658       0.07205067 
O       9.12111001       7.05871002       1.12142005       1.26130967      -1.26971051      -0.71726027 
O       3.37509003       9.22995995       9.19780006       3.42474436       0.41237801      -0.42877626 
O       8.41174995      10.86359996       3.13368003       0.32068741       1.34973777       1.48582446 
O       6.82843000       1.39549004       6.54851004       0.97112908       1.37203724       1.53291306 
O       8.97067004      11.24408157       6.08341998       0.53237718       0.90772352       0.82777744 
O       9.03564997       3.38342999       1.25291996      -0.56357204      -1.80466307      -1.77360405 
O       1.46103999      11.06540002       1.51924004       0.30765841       4.12606791      -2.62141470 
O       1.55219002      11.22710004       3.79444995       1.61139856       1.28064612       3.60740659 
O       3.19192004       1.15566003       8.85739004       1.64756282       0.12733671      -0.14683011 
O       9.56520998       3.22304001       9.69123997      -1.85653751      -0.60802729      -1.20424113 
O       3.59993003       5.02208997       8.62111995      -4.04297751       0.17635197       3.47901774 
O      10.85640004       9.19853000       3.57392996       3.43059848       1.57119699      -0.08271583 
O       2.07478999       7.32021998       9.23737006      -1.60939495      -1.82575451      -1.69111902 
O       5.37808003       3.72602004       8.85716999       2.10081583      -3.93179117       0.34179099 
O       9.16786001       7.93318999       4.16842004      -2.47620994      -1.32320183      -0.10235260 
O       2.88291000       8.54148002       0.94509703       4.41568258      -0.09576547      -2.86185491 
O       7.23053005       5.29453005       6.35359999       0.25064124      -2.14390547       0.40739224 
O       8.53377996       7.89564002       9.56545004       0.16290152      -0.32726949       0.89810000 
O       5.35019002      10.66569998       1.82210005      -0.03579055      -0.20795256      -1.26143342 
O       9.28634000       3.26856004       6.51535005      -0.82189312      -0.89648597       1.72161051 
O       3.87521998       9.11326000       3.96007005      -1.50050184       1.38045876      -0.09704711 
O       7.32364994       1.55297999       9.56092997      -0.29021199       0.41216455      -1.78486918 
O       6.10528994       3.62745999       3.01462996       0.70534070      -0.59819978       1.75700107 
O       7.02720001       9.45938999       6.42746999       0.63295307      -1.35458425       0.95622359 
O       7.51659994       8.99512000       1.11331001      -1.38498365       0.18813381      -0.28107252 
O       1.42279995      10.54230003       9.84468995      -0.12611693       1.38709900       0.14407775 
O       0.73416297       7.09672004       1.42898004      -0.05927077       3.44253953       0.38582130 
O      10.87600004       5.84252998       6.59148998       1.07053635      -0.57144906      -1.15921037 
O      10.64880001       5.42002004       3.26137003       2.45750261       3.14414120       0.23983927 
O       3.66225002       1.48333005       0.18932898      -1.37073908       2.73483156       2.19647329 
O       0.36635796       1.58625000       9.71261003       0.52668734      -0.45509147      -0.76081289 
O       5.08751001       6.93828995       8.98825004       1.26227074       1.20437119      -0.71979184 
O       5.60990997       7.10265998       6.50133999      -5.15615234      -0.00140801       2.05588376 
O       4.80479000       6.95265004       3.63807002       1.88079607      -0.84758376      -0.10850861 
O       1.47014998       7.60672999       6.46754999      -0.42172906      -2.22283128       0.84305047 
O       2.94237005       5.96746999       0.61874897       1.11486041      -2.32589311      -1.81018511 
O       1.16189999       3.56101000       4.08426999      -0.28776549      -1.37068422      -2.65713311 
O       7.44018001       5.76730002       3.78716998      -1.07491295      -1.21779898      -0.83232052 
O       5.20074002       3.82713005       0.62364100      -2.38221829       0.60898005      -0.54468482 
O      10.98409999       5.86188999       9.21588998      -1.88796037      -0.17271384      -1.84511890 
O       7.22681003       1.54224998       3.79878998       0.52503163       0.69178650       0.72735875 
O       1.25204997       3.86319002       9.00792996       0.62632395      -0.26632721       2.42196908 
O      11.17737761       1.99695005       0.93791896       1.05882151      -0.91134382       3.12678975 
O       1.60218005      10.91589996       7.03111000      -0.27712406       1.58328336      -2.04569768 
O      11.09899995       9.38714003       0.80476303      -1.21252124       0.43100739       0.13718589 
O       4.98901996       0.75483404       4.86085997      -0.09939461      -0.38786393      -3.65906899 
O       9.17633995       0.20851897       0.84423101       1.10475082      -0.08145463       0.37635118 
O      11.05529995       1.37418995       6.77380004      -0.09465635      -0.62642589       0.34960690 
O       3.38558005       2.49684996       3.14489005       1.22078125      -1.48338583      -0.05963294 
O       0.93533597       3.61764000       6.64414996       0.97476086      -0.54724097      -1.09925110 
O       5.29116997      11.41307900       9.83904999      -1.48964366       1.30157754      -0.58628430 
O       3.12647995       5.10109996       6.28790004      -0.40112883       2.22365265      -1.14390857 
O       1.76897003       6.85317001       3.90553001      -2.01037738       1.42052072       0.24351932 
O       3.22108996       5.25145001       3.09937002       2.72501474      -3.70411083       0.67823094 
O       9.78205001      11.35903011       9.33302998      -1.19204525      -0.19839025      -2.17689441 
108
Lattice="11.46471382 0.0 0.0 0.0 11.46471382 0.0 0.0 0.0 11.12253041" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.09882134035318961 0.009526169656862841 -0.006944975026813224 0.009526169656862841 0.07425961519185839 -0.0019921665742483915 -0.006944975026813224 -0.0019921665742483915 0.10252008596779046" pbc="T T T" energy=-1034.38460187 free_energy=-1034.38460187 config_type=crystal 
Hf       1.29513994       1.46905002       2.19961998       1.09167255       0.11016204       0.91487281 
Hf      10.93439995       7.20008001      10.37820000       0.21014258       1.35185059      -0.05573487 
Hf       1.26090000       9.20483999       8.13413995      -0.70764419      -0.80355700      -1.01010363 
Hf       6.90823998       3.60433004      10.55940003      -0.67197836      -4.28324905      -1.13494272 
Hf       9.26140001       5.61320999       2.26669996       0.84724258       3.40140332       0.15121005 
Hf       3.33890999       6.80491001       4.86695003       1.53998478       0.74731094       0.02194897 
Hf       3.42465000      11.07219997      10.45550003       1.29215512       0.54805495       1.80281323 
Hf       7.15653003      11.03710006       4.68789998      -2.11720210       2.04753925       1.17272267 
Hf       5.07448996       1.48387000       2.48371999      -0.75749951      -0.79929601       0.88115186 
Hf       5.98659003       1.42456005       7.91493000      -3.93224203       0.34512598      -1.11948218 
Hf       1.39023997       9.28213005       2.24633004       1.81036616       0.63937495       0.65068941 
Hf       3.22580004      10.93380001       5.17239996      -0.46176480       0.93484984      -2.32760936 
Hf       3.24349996       3.27626003      10.38040003      -0.41348752       1.81679332       1.20372962 
Hf       7.32688994      10.47079995      10.78190002      -2.39394452       2.98899081      -0.69639455 
Hf       8.65231003       1.72200002       1.91883003      -1.72291408      -1.56446856       0.79528803 
Hf       5.50226996       5.59302005       8.13312001      -2.04024675      -0.85041743      -0.24596842 
Hf       3.72124994       3.29429002       5.70841005       1.35542126      -2.29112117       0.10900258 
Hf      10.78310001      11.07830000       5.33378999       3.13792183       0.56225124       1.32969684 
Hf       9.31633995       1.70825004       8.02539998      -3.52289647       1.14430643       0.57313054 
Hf       5.44564998       9.01254005       2.22689998      -0.49018154       1.01649734       1.25937464 
Hf       3.27346001       7.47358004      10.86620002      -0.32301199      -1.57378607      -0.58285335 
Hf       5.23031996       5.52457995       1.95835995      -1.43475252      -0.56028297       1.98061709 
Hf       9.35094997       5.52103999       8.09838001       0.79822909      -0.15103489       0.66041047 
Hf      11.21959996       7.42709005       5.02111998       0.61937228       0.33640385      -0.76844084 
Hf       4.99132997       9.28946999       7.39505003      -0.20884231       3.31874522       1.73907549 
Hf       7.49010001       3.84994996       4.54814005      -2.86890769      -1.69081117       0.55087780 
Hf       7.44592004       7.26466005       5.03992996      -0.14628307       2.88331914      -1.82747973 
Hf      11.14450001      10.90180004      10.64959997       1.31092088      -0.02852309       2.57805042 
Hf      11.12703478       3.62090997       5.08662001       0.99918197      -2.63686636      -2.73131599 
Hf      11.04409995       3.19520003      10.83939995       0.39252557       0.84865221      -0.78827194 
Hf       1.49198002       5.23709996       7.69543999       1.74291050      -0.14676190       1.78102791 
Hf       8.74265003       9.20888004       7.65165003       2.05640564      -3.38720111      -0.82251487 
Hf       1.34102001       1.36520001       7.85768000       1.96074377       2.88513066      -3.69572047 
Hf       7.14705995       7.16760001      10.70420003       1.58160307      -0.14518831       0.96726194 
Hf       9.33969002      10.07079998       2.46105995       0.77364155      -5.16810849      -2.68156861 
Hf       1.25144001       5.59188000       2.48475995       0.86777842      -1.04177751      -1.97990379 
O       5.65202997       3.81487000       6.15277005      -0.04059644       0.77259797       1.13896837 
O       9.27835002       6.94150004       0.52675503      -0.65909660      -1.32733693       0.03862084 
O       1.31184999       0.05611014       5.99378004       1.63588051      -0.91324261       1.47581599 
O       7.49831000       9.28656999       1.17601995      -0.80222639      -0.97082671       1.40584663 
O       0.48497803       1.34625996       4.06122002      -2.53020585       0.29222194       0.43363843 
O       9.49343000       7.34597995       8.75966995      -2.25315367      -0.29242848       0.02439477 
O      10.95820001       9.21746000       9.54463997       0.96266566       0.91487760       1.42309226 
O       9.47632006       3.84826006       3.11537005      -1.99987647      -2.79897088       1.71925291 
O      11.45339998       4.63082996       1.11505002      -2.32297156       1.01686695      -1.22525166 
O       3.39486995       6.25498002       1.25074000      -0.43544606      -1.37146350       0.13905375 
O       7.12736999       9.20980994       3.68463995      -0.60781755       1.11765370       0.64862301 
O       5.52741002       0.14948623       6.37520998       0.99962914      -4.80932049      -3.48318790 
O      10.86569995       9.74529004       7.12709003       1.82910970       0.82749973      -1.66136712 
O       6.83007001       1.42417002       0.86755504      -0.13090755       1.10761437       2.53760122 
O       5.15745001      10.97850001       3.31968003       1.20093721       0.14658212      -0.22268380 
O       3.25512999       1.66371995       9.41367996      -0.65749061      -2.19939529       1.58205114 
O       0.96297302       3.62803999       9.10921004       1.49154840      -1.43831016       0.41670596 
O       0.18176295       4.97272997       6.34255000      -3.62835326       2.22229204      -0.39375443 
O       3.17668005       9.38844005       9.41418003      -0.88279974      -2.19964198      -0.03962193 
O       7.21886998       1.54628000       3.78722005      -0.61375742       0.59325719      -0.47779414 
O       7.45218998       1.77746997       6.76505000       2.46654190      -0.58976700      -0.52423071 
O       6.87111999       8.92351999       6.72717000       0.34032148      -1.35563292      -0.97859400 
O       8.74336004       2.83002001       0.45131502       1.88316114       3.72658109      -2.00261673 
O       1.42970003      11.19000002       8.84114004      -0.72297781      -1.52042309       2.03130412 
O       1.39385996       2.68932997       0.44603204       1.33583836       0.13958244      -0.97539272 
O       3.31173002       1.23913000       1.36346996       1.28721931       0.41786991       1.11711047 
O       9.69409000       3.46774001       9.20784998      -1.29486532       0.05104451      -2.47146030 
O       5.60793003       7.24220996       9.54081004      -2.53867737      -0.90615374      -3.59047586 
O      11.20518984       9.33157999       3.75482001      -2.53628603       1.46426061       2.08655537 
O       0.98944401       7.29095999       8.90356001       2.48419103       1.47650950      -1.11437865 
O       7.37683001       5.39591995       9.02698996       0.99280399      -0.20931319      -0.84175142 
O       9.73169002       7.63001996       6.39736005      -0.54716725      -1.47864001      -2.66707934 
O       3.45713997       9.02695005       0.92400399      -0.65286034       0.46882410       1.78932241 
O       7.95211995       5.66213003       5.82351000       0.53959138      -2.41128639       0.18132173 
O       8.96318996       7.54436995       3.39033001       0.48359625      -1.38553030       1.24001099 
O       5.23521998      10.95120000       0.58625100       0.41723010      -1.82186871      -1.78010751 
O       9.46282001       3.02463995       6.08548997       0.47252489       1.99132950      -1.19683231 
O       4.94881996       7.09840003       3.41222004       2.47400563       1.27858046      -1.41214684 
O       7.33204001       1.84259998       9.24768999       1.81136850       0.30191159       2.22030280 
O       3.88700999       1.56488999       4.40338999      -0.35164589       0.43244750      -1.26473127 
O       7.56916996       8.83804998       9.70996004       0.48954064       0.84942602      -0.61663106 
O       8.91146003       0.19782604       3.40859999       2.33700768      -2.11846777       0.73397401 
O      10.30780003       0.99430402       9.81364004       1.01494286       1.31365093      -1.43836033 
O       0.94820200       7.10104999       0.62597101       1.77360491       0.48242163       0.51096500 
O       1.76777999       3.27530995       6.63812001      -0.65874268      -1.96428225      -0.28454100 
O      11.06950003       5.69398004       3.64541001      -1.41581267       2.39089519       1.92066571 
O       3.66440996       8.85276001       4.59336003       0.82233285       0.59127619      -0.38038453 
O      11.07560006       0.97020496       1.35187005      -2.20623052       0.85467892      -0.26157701 
O       5.53809995       7.47127002       0.79724596       0.59857000       0.08107503       1.23944008 
O       5.32903997       6.65077003       6.31013005       0.05703935       1.03095214       1.27771239 
O       3.12480004       9.60879001       6.71138001       0.01765442      -0.06464252       2.79165835 
O       1.52237997       7.24330003       6.17063005      -1.63513172       0.77698061      -0.68178761 
O       5.39279995       3.47942004       9.14080003      -0.40278467       1.38024610       0.11281409 
O       4.69889998       3.69656000       0.71794899       0.47649228       0.01940459      -0.21111197 
O       7.36764001       5.51234997       2.86047001      -0.42988067      -0.34824557       1.76712961 
O       6.84355997       5.27637004       0.39347297      -0.02653987       0.45952948       1.19818310 
O      10.94370002       5.56111994       9.32868003      -0.87518209      -1.72652476      -0.45487622 
O       5.76198999       3.54299004       3.65309001       0.60716572       0.33110998      -2.10398077 
O      10.94810006       1.27887002       6.90522002      -0.14422308      -0.82092693       0.91173307 
O       3.40777005       5.58309000       9.46463005       0.33229325      -0.84184997      -0.86570416 
O       1.97021004      10.68960000       3.56403001       0.63846656       0.06370805      -1.37933550 
O      11.24569995       9.51233004       1.22644995      -4.96400745       0.41559519       0.03126774 
O       3.86836997       1.72718998       7.10304001      -0.94020154       1.54624889      -0.85695221 
O       8.95411002      11.17350000       0.61276500       1.43013290      -0.19546480       1.08950492 
O       8.84674997      10.26650001       5.66698997       0.21789845       1.38490460      -0.81813513 
O       1.51444994      10.89039999       0.63208795       1.66863869       0.82599530      -2.02690098 
O       0.86318897       3.75910001       3.20432004       1.76323211      -1.02627283       1.01730857 
O       5.11512997      10.93389998       8.72775997       0.54019201      -1.03684516       0.84147987 
O       3.04871000       5.24733004       6.37902000       1.04539880       0.79169676       0.38373142 
O       1.43269003       7.59225003       3.45574996       0.92507932      -2.43428618       0.01997168 
O       3.67024997       5.12463995       3.65868998      -2.17718001       0.24760728       0.27818997 
O       8.37220999      10.82606884       8.31155999       0.04682860       5.17524245       2.27376729 
108
Lattice="11.47374408 0.0 0.0 0.0 11.47374408 0.0 0.0 0.0 11.13129115" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.07191725630253312 0.004680608175555273 4.585674827992098e-05 0.004680608175555273 0.07856814766598298 0.012517682301459283 4.585674827992098e-05 0.012517682301459283 0.08845646576045707" pbc="T T T" energy=-1027.71033016 free_energy=-1027.71033016 config_type=crystal 
Hf       1.24585000       1.29595997       2.55577996       1.82389411       2.47120261      -1.54836067 
Hf      10.88500000       7.18975003      10.31950000      -0.28847898       2.07050890      -0.93027603 
Hf       2.05821001       8.70636995       8.03229996      -2.25386469       1.14248861       4.13069458 
Hf       6.81087002       3.94613004      10.40099997      -1.97164033       1.29275789       1.35986416 
Hf       9.55634996       5.66290001       2.12237000      -0.97991673      -0.06757729      -0.30358412 
Hf       3.40057003       7.11262995       5.38361001       1.09330972      -1.44435233       0.42141570 
Hf       3.20509001       0.01628514      10.72060005      -0.07301249      -3.63370981       0.97346606 
Hf       7.48229000      11.07050003       5.47123998      -1.82895725      -2.46554506      -2.67284806 
Hf       5.27111995       1.44135996       1.97883000      -0.68514446       2.62111672       1.64591618 
Hf       5.40534004       1.30655999       7.78672998      -0.94816541       1.82169136       0.99520187 
Hf       1.71694001       9.01840002       2.36501000       0.02100481       1.59986403      -0.95376867 
Hf       3.25898999      10.90129994       5.23716997       1.63213158       0.78783771      -1.63281417 
Hf       3.09920996       3.54094004      10.41489995       0.74611931      -0.68144792       0.38382011 
Hf       7.07774999      11.37936691      10.46129996      -0.75408144      -2.46946458       3.08894692 
Hf       9.05165001       1.75066995       2.09733996       3.92736192      -3.63619702      -3.32512492 
Hf       5.06976997       5.03882001       7.66831998      -1.27492457       1.48047114      -0.57921892 
Hf       3.18611003       3.43742002       5.00162005       4.41016899      -0.78427140      -1.42530719 
Hf      11.33041005      11.22306710       4.98024997       0.13999383      -1.62782115       0.48534749 
Hf       9.04027001       1.41097002       8.14157005       0.36094347      -1.90249082       0.75673714 
Hf       5.79599005       9.31113000       2.79306001       1.05957392       0.45527010       1.37542267 
Hf       3.51947003       7.56252004      11.08081753      -3.06656179       1.47795155      -0.67990582 
Hf       5.27675999       5.98560996       2.59287999       3.47549493      -3.90785316      -1.14080053 
Hf       8.92266000       4.72805996       7.73276003      -1.83876190      -0.18976801      -1.27498631 
Hf      11.19030003       7.63310996       4.84858995      -2.67143749      -1.55543948       1.32441283 
Hf       5.35263000       8.94836004       8.15867996       0.55498186      -2.42228997       0.25282664 
Hf       7.26790998       3.17288000       4.91747005      -2.14364967       3.13780675      -0.17660512 
Hf       7.54010000       6.75936002       4.88895001       2.84499659       0.31557941       0.57076708 
Hf      10.52289999      10.97940000      10.82520001       0.45813210      -2.62090689       5.93150385 
Hf      11.13419997       3.42628005       5.53249002      -4.47828582      -0.26354314      -7.39318981 
Hf      10.68109998       3.26607996      10.61610004       3.13806084       0.81509925       5.79270899 
Hf       0.96479203       5.44435995       7.78903995       2.48412853       1.27188253      -0.13703142 
Hf       9.16889998       9.36838995       7.56102001       2.68996315      -4.90578360       2.05751327 
Hf       1.20825995       1.94311000       7.84940995       3.02020658      -2.22008030       0.12553397 
Hf       7.40377001       7.32617996      10.79979996       2.08004914       3.86211394      -0.77489498 
Hf       9.09344003       9.42146003       2.77126995       0.60303457       0.05539952      -2.35164372 
Hf       1.46815998       4.97023995       2.28254995       2.98223949      -0.46754742      -2.62151134 
O       5.25589005       4.05509997       6.03961005       0.57149724      -1.18556784      -0.24095273 
O       9.24478996       7.17040002       0.86120896       1.03496363       0.86041128      -0.53827076 
O       1.84080998      11.42237613       6.49056003       0.85303139      -1.30272554      -0.33467718 
O       6.25238002       8.86093998      10.16280003      -0.62727004       0.98329119      -1.31758613 
O      11.26350000       1.47497000       3.87450001      -1.07511490       0.75125598      -1.47602755 
O       9.08561998       7.76392005       9.09271005      -2.05988553      -1.41375612       2.31952919 
O      10.72509995       9.38410003       1.16578001       0.45678449       0.38485414      -2.09651648 
O       9.28773997       3.89050005       4.60246998       0.85593103      -0.89956007       1.99752367 
O      11.11869997       5.48621995       0.11664001      -0.80730041      -2.65860020       0.75511846 
O       3.70115998       7.62569998       8.83337000       0.16328545       1.79033518       1.52026950 
O       7.38950998       8.74851002       1.73113996       0.09954656      -0.17757796      -1.29557359 
O       5.35313003      10.67850003       5.30322004       0.75205695       1.78351563       0.97619026 
O      10.81000003       9.64790997       6.32894003       1.71901619      -0.92234077      -2.86664747 
O       7.34017999       2.30966996       0.03760295       0.38966180      -4.65177292       1.86040106 
O       6.34492999      11.34486812       2.65015004      -1.39749730       0.40217768       1.00054759 
O       4.95297999       2.73652996       9.30431000       1.17123698       0.16877246       0.32504282 
O       0.81516305       3.24057004       9.30544004       0.02693038       1.14927783      -0.13131060 
O      11.28596008       5.68681003       5.78140005      -0.58464047      -0.71221889       1.24149904 
O       2.29415000       9.88523003       9.64988995       0.60419583       0.86240364      -0.04480667 
O       7.94167003       2.65540003       3.11521995      -5.63928548       1.49084129       2.99248681 
O       6.96555995       1.48566995       6.10283000       0.36434229      -0.00116693       0.06029178 
O       7.58467997       9.28018003       4.14547003      -1.28212017       1.29293177       1.52724432 
O       9.62692002       3.74242002       1.47854002      -0.21324837      -0.40200349      -0.34034955 
O       2.61978002       1.31214999       9.43986998      -1.34624304       1.26576541      -1.58718690 
O       1.11852999       3.31684004       1.32756999       0.11872601      -1.34276937      -1.05144393 
O       3.57348004       1.61337995       0.78102604      -0.79318635       1.71790496       1.25286198 
O       9.02929996       3.42054995       9.72155999      -1.12968295       0.30232081      -2.81154133 
O       5.36329003       7.17485000       6.65563997      -1.59678547      -0.60363647      -0.20783342 
O      11.07430002       9.18967996       3.50268995       1.07958223       0.29238663       1.72338674 
O       1.36486003       6.80723996       9.83968002       0.30867221      -0.26512130      -2.84815766 
O       5.87588001       6.28858003       9.16706997       1.67285483      -1.86772380       0.99753138 
O       9.01422002       7.60869004       6.18012001      -0.49588605       0.39083415       1.00858025 
O       3.34129001       9.51024994       0.95102601       0.18700678      -0.76680110       0.00829597 
O       7.47329000       4.97027999       6.11963001       2.04473195       2.06123381      -0.43103907 
O       9.31501994       7.42996996       3.80546998       0.41784171      -1.10411378      -1.44112121 
O       5.34367004       0.14417104       0.49076404       1.18904849      -1.34927080      -3.32903527 
O       9.97645995       2.93628004       7.15513996      -0.96139569       0.49988885       1.06922138 
O       5.85446002       7.33491997       4.04935000      -2.01972167       0.27097330      -1.13551451 
O       7.24423001       0.54828904       8.68744000       1.32671649       2.81298605      -1.43428343 
O       3.20337997       1.59702000       3.88095995      -1.85672505      -2.22802767      -0.20297589 
O       7.10254005       9.54524004       7.31386004       1.06758376       0.87621912      -1.28051710 
O       9.01605995       0.04457664       3.81433004       0.36672853      -1.12751243       0.65708970 
O      11.22984406       8.75510995       8.69545998       1.28439661       0.13456839       0.39954737 
O       1.63705005       7.64930997       0.93391299       1.28224697      -0.56675339       1.85197148 
O       1.17878000       3.85894002       6.46912005       4.08032271      -2.23407724       4.43495253 
O      11.42462418       5.71871002       3.11595005      -3.06236085       1.96864048      -0.26897377 
O       3.91847005       9.26933000       3.63759998      -2.42288913      -0.16988303       0.41058836 
O      10.73159994       1.62711001       0.89422905      -0.81092847      -0.56490909      -1.32771682 
O       5.18814998       7.47016994       1.35353005      -1.57528412       0.31272295      -1.55245991 
O       3.66385998       5.50413999       3.43231003      -2.32136284       0.80623313       0.92094537 
O       3.41186994       9.55285000       6.76402001       0.78687443      -2.48369186       0.18793042 
O       1.75291995       7.06515997       6.89900005       0.32400236       1.04788943      -0.50211810 
O       7.16533998       3.49749001       7.95873002       1.06425958       0.04359517       2.09687112 
O       5.43773994       4.22868005       0.86085899       1.12051327      -0.47610114      -1.15151140 
O       7.49090001       5.54760001       3.03289003      -0.33598239       0.69555436       1.29047983 
O       7.72626999       5.58388997       0.14056105      -1.04275983      -5.20370141      -0.69904759 
O      10.64480003       5.46656004       8.50824001      -1.23568352       0.00621799       0.50694790 
O       5.01289003       3.09938998       3.80661995       2.08751512      -0.39071281      -0.82562713 
O       0.31749101       1.33652998       6.10027002      -2.57142068       3.73722869       2.48848866 
O       3.12713005       4.31648001       8.49319997      -0.14285942       1.28591753       1.18712891 
O       1.50365998      10.91099996       3.50354996       0.31818628      -0.40749027       3.09176789 
O       8.82828995      11.07979996       1.05622006      -1.03001860       1.92657286      -1.56457052 
O       3.85756994       1.94737995       6.86617999      -1.42469305      -0.58823754      -1.22847598 
O      10.85700005       0.94584004       9.59885999      -0.29370364       4.10613540      -4.95078783 
O       9.21971994      11.23779904       6.59605005      -1.49802660       3.28150360       1.63276758 
O       1.08398002      11.41279716       1.16118000       1.53720040      -0.67502779      -2.02582582 
O       1.52712000       3.70770001       3.76023998       0.46920062      -1.01687432       2.83890504 
O       5.21345005      10.75560003       8.93249003      -1.39916631       3.44948013      -0.27511899 
O       3.15595003       5.26303005       5.97029005       0.44433611       1.42471266       0.11413360 
O       1.72370998       7.54336004       4.32299999      -0.31835621       1.60722845      -1.34575717 
O       3.04851999       4.98048003       0.68205595      -0.55663008       1.38776343      -1.52600504 
O       9.14108005      10.54340002       9.49296000      -2.00181944       0.71422887      -0.80940117 
108
Lattice="11.48272425 0.0 0.0 0.0 11.48272425 0.0 0.0 0.0 11.14000329" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.1144001471875678 0.0030730239326183535 -0.015773576840349312 0.0030730239326183535 0.10226884511533126 0.015741775589888825 -0.015773576840349312 0.015741775589888825 0.09784424525663382" pbc="T T T" energy=-1033.67696563 free_energy=-1033.67696563 config_type=crystal 
Hf       1.57876998       1.49105000       2.32297999      -0.22339345       0.46464275      -0.83487969 
Hf      10.96350003       7.19954995      10.63240002       2.12932864       1.10977169      -0.67810474 
Hf       1.74617994       9.13097999       7.77721004      -1.61548340       4.34147167       4.51690225 
Hf       7.04244997       3.94813000      10.75960003      -1.63099192      -3.47046248       1.07467341 
Hf       9.49939998       5.51004000       2.79267005      -2.02363379       0.86414132      -2.00902680 
Hf       3.57161997       7.47628004       5.13562997       1.15247211      -0.48471338      -0.71777931 
Hf       3.35514994      10.67270004      10.74659998      -0.96808365      -0.59507837       1.36063675 
Hf       7.64865996      10.76660002       5.43288001      -1.00362111       1.56508038      -1.74799117 
Hf       5.32850996       1.87867003       2.00525005      -2.74053917       1.07756715      -2.04804371 
Hf       5.06229999       1.15765002       7.89362999      -0.24691741       3.61852796      -0.62300851 
Hf       1.70871997       9.17379999       2.87595995       1.31761314       0.12414193      -3.03078083 
Hf       3.84082003      11.19840006       5.21855003      -2.12163002       0.50272605      -1.76113984 
Hf       3.19961001       3.23857997      10.36320005       0.66207996       0.87309195      -1.62402372 
Hf       7.06917004      11.24387027      10.21179995      -2.58282519       1.40855572       1.37826061 
Hf       9.06820003       1.37949005       2.10921001       1.35037329       0.59893152       0.78147766 
Hf       5.20243998       5.40472999       8.06056995       0.89407442      -3.50239237       1.03155282 
Hf       3.32984994       3.65868003       4.65555999      -0.35529038      -3.38029175       2.96335865 
Hf      10.89380001      11.12060001       4.78281002       1.36533363       1.13387511       0.66645379 
Hf       9.37148003       1.55608000       7.84455003       0.48231482       1.07868802      -0.66673791 
Hf       5.52126999       9.29369996       2.13664004      -0.14943998       2.33878355      -0.11802233 
Hf       3.25664000       6.89447004      10.70670005      -2.57769808       1.25192418       0.11973296 
Hf       5.32377001       5.79882994       2.52809998       2.71967161      -6.96897648       2.10567734 
Hf       8.99699004       5.59274995       7.98975006      -0.17810496      -0.14361013      -2.92555330 
Hf      11.36398622       7.51735995       5.22125003      -2.16704134       0.24344062      -0.02752579 
Hf       5.19259998       9.05342005       7.69234995       0.32568225       0.54029508       0.07357447 
Hf       6.98831995       3.10793998       4.90333996      -1.65573452      -0.64095526       1.71857959 
Hf       7.42431004       6.77374998       4.99150996      -0.56890033       0.57650049       1.39045748 
Hf      10.92429996      10.88229995      10.98217028       2.38357954       0.33602845      -2.09771516 
Hf      10.76149997       3.71938001       5.13386996       0.63080272      -1.15152110       0.93622331 
Hf      10.53980002       3.68165995      10.64339999       2.18584611       0.04268001       0.56350771 
Hf       1.68556999       5.33570997       7.66403998      -1.73243812      -1.62848039       3.57085429 
Hf       8.53770001       9.13582995       8.22828003       5.03144527      -1.49001485       2.94851941 
Hf       1.39488000       1.40469004       7.36516004       1.76704621       1.63523636      -0.36577549 
Hf       6.98823004       7.32116004      10.87367333       3.60787622       4.75017391       1.17508933 
Hf       9.22851999       9.21217996       2.38654998      -2.82558712      -2.61174412      -1.27306553 
Hf       1.56445998       5.30239997       1.86503005      -3.14209818      -0.36535527       1.51567602 
O       5.44651998       3.19650003       6.19469003       0.07430390       0.40272179       1.05637017 
O       8.92778997       7.20337002       1.76041005       1.21769145       1.06691342       0.14779763 
O       2.85695002      11.24980626       7.33800004      -2.03281605      -1.23208979      -0.56905105 
O       6.90733999       9.01693002       9.43705004      -1.38508042       1.33929476      -2.48467244 
O      11.19379996       0.90888403       3.14397005      -1.39096241       0.15685186      -1.07204012 
O       8.76016000       7.35700003       9.88927000       0.60360540       0.37505902      -1.13668582 
O      10.84080000       8.92229997       0.72369204      -1.83068572       3.04490609      -0.65812275 
O       8.88606003       3.68046000       4.16473000       1.39042824       0.36175648      -0.82836304 
O      10.89679999       5.57361996       0.84054399       0.68709538      -0.58188722       0.02649008 
O       3.39725996       8.90599002       9.32935004       0.57771950       0.02901911      -1.67646494 
O       7.20705999       9.27577003       0.92113100       0.21858846      -2.33223944      -0.65488693 
O       5.47407003      10.75650004       3.45790002      -1.70506715       0.90765045       0.68384551 
O       0.30441196       9.47668004       5.85428005      -1.15825061       0.04050852       0.46021703 
O       6.62788998       1.71047005      10.80009996       1.45559236       0.01608756       1.85620421 
O       7.31294001       8.89449995       3.47590995       1.50750452       0.08394630       1.08465698 
O       3.26117005       5.11026999       9.27370005       2.73828372       2.13951182      -2.04587327 
O       1.06606002       4.42387006       9.71171996      -0.46787288      -3.11620773       0.14849306 
O      10.70250001       5.26305005       6.37960996       1.89751814       1.79081566       1.15972050 
O       1.50795005      11.27056829       9.95807000      -0.54617124      -1.44076593      -1.07938391 
O       7.10650004       1.63942000       2.81356000       1.47018930       0.93504620      -0.45113192 
O       7.23963005       1.17917002       5.51605005      -0.08881021       0.77243836      -0.12454161 
O       7.31982999       9.11564998       6.77665004      -2.01897802      -0.05799401      -1.25624585 
O       8.99756004       3.73809995       1.31246996       0.25914451      -1.05388138      -1.14962546 
O       3.47962003       2.08816004       8.57410004      -3.60392775      -0.60593511       1.13120357 
O       1.21297999       3.40489001       1.32659002      -0.04514431      -0.62845435       0.42804529 
O       3.56126002       1.93525999       0.58286001       0.17804327      -1.27343317      -0.26465800 
O       8.96499997       3.20018002       9.51134996       0.88086506      -0.85294899       0.51702209 
O       4.99635999       7.00596006       6.84891000       0.93647251       3.26004137       2.66228900 
O      11.08840004       8.85584003       3.37488995      -1.33574162       1.30641606       0.66111026 
O       1.44374003       6.95988999       9.49310999       0.65611967       0.11023854      -0.08584013 
O       6.76358995       5.73534001       0.64510500       1.26313255      -2.90042492       1.68644994 
O       9.42062999       7.47543997       6.98439996      -1.42231387      -0.12400714       1.84114571 
O       3.34316003       9.08820994       0.99871700       0.73803153       2.20296119      -1.78305854 
O       7.22902001       4.93821997       9.12897001      -0.29067188       3.20218709      -2.09287822 
O       9.22989000       6.94725004       4.39973995       3.48549794       0.52027400      -0.26073791 
O       5.43959005      10.91030000       0.51250799      -1.52149207       0.02891324       1.07764340 
O       9.32826996       3.27692997       6.69829003      -0.57995885      -2.30356373       1.69427943 
O       5.52334997       7.01022003       4.49808000      -3.80875734      -0.29672429      -1.50455762 
O       7.30092001       0.65910596       8.33556004      -1.45847818       1.11657558      -0.98563683 
O       3.52598004       1.50504997       3.05798003      -0.44028397       0.54114873       0.94348252 
O       5.47802996      10.59450005       6.09827998       1.59212997       0.77997456       2.61950947 
O       8.93828001      11.18439997       3.81916999       1.11752030      -1.08037553       0.43155884 
O      11.19229997       9.01018001       8.99065997       0.22549886       0.44327263       0.34931135 
O       1.41416995       7.62481000       0.88430304       0.62973782      -3.29905704       0.58017964 
O       1.63438001       3.38517003       6.76397004      -0.34095873       0.89423468       0.74694784 
O      11.19459996       5.34737998       3.90033996      -0.08268929       0.91710992      -1.65370792 
O       3.69452002       8.53100995       3.27454002      -1.29487952       0.47962319       3.64655813 
O      10.82379995       1.51177999       0.33719999      -1.64205885      -0.39555922       0.15326284 
O       4.81535000       7.16340004       1.58301998      -0.51758960       4.66862840      -3.51974651 
O       3.31057998       5.10629996       3.40419997      -0.81083916       2.26372914      -0.44580944 
O       3.64498998       9.19603996       6.34863997      -1.38316910      -2.11879991      -0.90731482 
O       1.45110999       7.63899002       6.81272003      -0.14194368      -6.29191816      -2.65421169 
O       5.31395997       3.23274996       9.06055001       0.79774036       2.06339326       1.16182496 
O       5.23010003       3.96381999       0.93401497       1.49863345      -2.32713520       0.99380998 
O       7.15449002       5.22165001       6.39476995       0.70195673       1.39479054      -0.46452069 
O       7.34127995       5.82918005       3.27822001      -0.84652185      -1.87565000      -0.14929064 
O      10.38730003       5.55059997       9.22409996       1.02010378      -0.39192591       2.12434647 
O       5.16409997       3.49720996       3.82643996       1.75106508      -0.66647257      -2.02953122 
O      11.21005720       1.34002003       5.87179002       1.56701186      -0.10018707       0.67060304 
O       5.35815996       6.80691002      10.01919998      -3.77131842      -0.59711611      -3.23933914 
O       1.59178002      10.87229999       4.14777001       1.45722536      -0.71959702      -0.80766631 
O       8.97702996      11.12380001       1.26756004       1.24015887      -0.52423957      -1.14844633 
O       3.48484996       1.51475000       5.88495995       0.59461183      -0.02861974      -1.05779571 
O      11.37188921       1.70357996       8.57878998      -2.09837991      -0.42419946      -0.31673292 
O       9.46052005      11.24936819       6.46377001      -1.94304662      -1.52530573       0.36312855 
O       1.73169001      11.29669998       1.09734001      -0.71315359       0.03164466       2.78515409 
O       0.99361299       3.17893996       4.08698002       2.77395064      -0.46839575      -0.24222122 
O       4.94021004      11.19010000       9.21968997       0.69001598      -1.17421513      -0.61727737 
O       3.25423999       5.52481000       6.48667999      -0.02050286      -0.64114193      -1.63672807 
O       1.50472994       7.49317997       3.98790005       1.43418643      -0.99113120       1.85903649 
O       3.09493006       5.09521006       0.87586104       1.36099966       1.93762032      -3.43507317 
O       8.93984006      10.94460004       9.39725995       2.55405355      -1.22638500       1.39613745 
108
Lattice="11.49171474 0.0 0.0 0.0 11.49171474 0.0 0.0 0.0 11.14872545" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.08758909428470422 -0.00046342890063472337 -0.00422044013263884 -0.00046342890063472337 0.07966936271124997 0.0026287189784962818 -0.00422044013263884 0.0026287189784962818 0.08767745461786731" pbc="T T T" energy=-1027.01603717 free_energy=-1027.01603717 config_type=crystal 
Hf       1.32453998       2.12332000       2.10039000       3.56780774      -1.69644329      -1.07918246 
Hf      11.28901870       7.29264999      10.85470000      -0.41760075      -3.44803744      -0.48627906 
Hf       1.28158005       9.54814999       7.56973998       3.82351505       1.21182257      -1.22206420 
Hf       7.22988994       3.63870001      10.16190003       0.40938606       1.98290108      -2.00555401 
Hf       9.28685000       5.50808000       2.07448002      -1.48409517       1.51196091       2.59705132 
Hf       3.18483003       6.97760003       5.43541003       1.09000078       3.10252356      -1.88074370 
Hf       3.23218003      10.93359996       0.14320504      -0.06339421       1.36467953      -1.75756828 
Hf       7.11239003      11.19340005       5.46623001      -0.23128187      -0.36437537      -0.93630929 
Hf       5.54445002       1.37422004       2.32376998      -0.14617690       0.33378625      -1.60318806 
Hf       4.65566999       0.93855098       8.25420003       0.18767216      -0.17256183       0.61234261 
Hf       1.80817994       8.64738997       2.24772999      -1.40398515       0.97155903      -1.30928196 
Hf       3.40255998      10.92569998       5.08702005      -0.41108008       1.12997241      -0.98459573 
Hf       3.47964997       3.74490000       0.12940504       0.38065267      -0.28129684      -0.91352557 
Hf       7.11014995      10.89850001      10.43790000      -0.50600010       1.07173668       0.67339304 
Hf       9.57409000       1.71082995       2.15830004       0.23416843      -1.20538285      -0.40698803 
Hf       4.87833001       4.64563003       7.32242000       0.78293850      -1.21988255       1.10436912 
Hf       3.51236998       3.50010005       4.42402999       1.86938482      -3.13037209      -3.78592385 
Hf      10.65600001      10.97419996       5.35519004      -0.02794888       0.92253048      -3.54410579 
Hf       8.66945004       1.53037004       7.83163000       1.67806012      -0.69376178       0.91617494 
Hf       5.59407997       8.90333999       2.82644996       0.08224889      -0.05371879       0.96843972 
Hf       3.31704002       7.28504994      10.40290002       1.01496080      -0.93083316       2.01654932 
Hf       5.18957001       5.71043002       2.54861001       0.88124182      -3.06065686      -1.28641407 
Hf       9.52169996       5.53580997       7.83184005      -2.18334823      -2.44957488       1.59000590 
Hf      11.18930004       7.38664003       5.09752003      -0.91163837       0.22167303      -1.35217058 
Hf       4.78442995       8.73566001       7.77365005       1.91692800       1.18855206       0.22252406 
Hf       7.52975003       3.66864995       5.38242995      -1.08093660       1.09878567      -3.38780685 
Hf       7.05204003       7.33634999       5.58463003       1.22260136      -1.03309079      -1.87048989 
Hf      11.20149999       0.03526451       9.95716004       1.22367122       0.56113655      -0.52793643 
Hf      11.07039998       3.30257000       4.94112995      -1.34748276       0.68892539      -0.86982793 
Hf      11.02249998       3.50157995      11.13867588       3.98752792       1.22524764      -2.85118136 
Hf       1.23505998       5.31422994       8.08018002       2.21987541      -1.33944825       1.77486574 
Hf       9.12102995       8.98249998       7.90600995      -1.07671798       1.14403802       0.00680876 
Hf       1.50259997       1.62219999       6.87755999      -0.42109676      -0.03535220       1.66754284 
Hf       7.25930000       7.33277998       0.03371040      -0.58989006      -1.21323419      -0.30702560 
Hf       9.79973005       9.60846000       2.28544000       0.42291762      -0.26774274       1.09654071 
Hf       1.14185999       5.48224996       2.56416003      -1.30978923       0.91239214       2.36715091 
O       5.14639000       3.27257996       5.76978996       0.25480274       3.25901911       2.24395618 
O       9.41335999       6.70438003       0.39693097      -1.35577312       0.23024246       0.19628696 
O       1.29156003       0.12260396       5.61563999       0.14713666      -3.85626779      -1.50185229 
O       7.73704000       8.95964997       9.63942003      -0.30822701       1.78753190       1.93588950 
O      10.87140002       1.29814995       6.19839000      -1.75582092       1.24563057      -1.03186599 
O       9.68514996       7.45935995       8.97092996       1.31223963      -1.86433078      -1.41344746 
O      11.47989459       8.66111004       0.94876601      -1.10018991       1.90212930       0.63974305 
O       9.06563001       2.90895004       3.55992004      -0.07569883       0.03145515       1.56720056 
O      11.36139778       5.43689998       1.02728002      -2.02560973       0.57269743      -1.94474874 
O       2.82869995       8.46866002       8.24385000       2.56830453      -1.54721077       0.78998454 
O       8.13640995       8.59935000       1.79593001      -1.49699471      -0.28915154      -1.47645360 
O       4.55660004      10.57220001       3.41333002       0.10444209       2.06525864       0.35552237 
O      10.72880002       9.22471004       6.18898995       0.48606063      -0.01898469       2.16742576 
O       7.19975005       1.60675995       0.97866099      -0.34445684       1.20614303       0.89045057 
O       6.78468000       9.23572002       4.50309998       0.37465617       0.52599371      -0.34797377 
O       2.98825999       4.69626000       9.24183998       0.10604786       1.03530620      -1.29660438 
O       0.60570300       3.33544998       6.66859998       0.92170932       2.31831771      -0.33012971 
O      11.08850000       5.87152996       6.68242998       1.18456706       0.99360113       1.15099299 
O       3.14666995      10.90000003       6.99343003       0.94015465      -0.36405065       1.92436773 
O       6.68844999       1.27156996       4.25198999      -1.66846323      -1.34633575      -3.15743151 
O       7.47174997       1.58146002       6.30519000       0.19148069       2.98682172       1.90470137 
O       7.07831997       8.64383995       7.06359999       0.32525238      -0.01140230       1.53253878 
O       9.14600995       3.55672996      10.80860002      -0.37681358      -0.84208655       2.83895292 
O       2.93331994       2.28799995       8.03020999       2.17229940      -2.20405265       0.15735963 
O       1.69532004       3.16389005      10.84490005       0.18265002       1.48355710       1.79164617 
O       2.03069999      10.72739999       9.36225000      -1.57238005       1.50036298       1.38372749 
O       8.54816004       3.54248000       8.57388996      -0.57260267      -1.05594995      -0.86951157 
O       5.08338001       6.71947003       7.07289000      -1.18087616       1.43479597      -0.12980370 
O       0.02785948       9.65609005       3.57382997       1.32956559      -0.00088466      -0.12079421 
O       1.39171997       6.75110994       9.59502001      -0.56759807       1.17862509      -0.71672685 
O       7.26019003       5.29783000       1.43439000       1.20093446       0.92384240      -1.54439109 
O       9.10260000       7.55876995       5.67473002      -1.43043618      -1.26091630       2.00722525 
O       2.63162003       9.04030997       0.33290596       1.92560334      -2.01461659      -0.55637619 
O       7.48306000       5.70664005       9.43141001      -0.30224094      -0.71533209       2.25228514 
O      10.38199995       7.44159996       3.27456005      -1.32967931       0.59402681      -2.35690897 
O       5.72302000      10.76289996       1.01241999       0.69497776      -1.04487389      -0.16762738 
O       9.27362004       3.92932996       6.17245004       2.20512520       0.09364360       0.24655023 
O       6.07166001       6.83102999       3.75966004      -1.18733823       3.79483313       1.68446619 
O       7.18235998       1.04467995       9.12370998      -0.98536106      -0.60866853       0.51793017 
O       3.50606000       1.90670002       2.42748000      -3.23420855      -0.66552089       1.31494480 
O       5.75006000      10.85480001       7.05346001      -0.90642574       1.25137968      -0.74965302 
O       9.19812005      10.73190003       3.85736001      -0.08602563       1.02185290       0.85780349 
O      11.25078876       9.62289003       8.65024000      -2.66508568       0.22596092       2.05907074 
O       1.88938006       6.70676996       0.99579301      -0.15364034       2.74652776       0.77382380 
O       0.07428624       1.37981996       3.27173006      -2.99197581      -1.48580695       1.57731320 
O      10.96780000       5.35294001       3.98104999       0.03467553      -2.79376221       0.57227343 
O       3.55856001       8.28265995       2.92366997       0.18866802      -0.06096600      -0.60626830 
O      11.16800003       3.41044996       2.07149997      -1.18710313      -0.29085784      -1.45407067 
O       5.45520996       7.28286996       1.34218001       1.62965664       2.76661639      -0.56398597 
O       3.81686997       5.39829000       4.26300995       0.76224605       2.94986543      -0.02565268 
O       4.29609999       8.75040997       5.20120998      -0.76669747       0.40195642       3.43528214 
O       1.56845002       8.29300996       5.90071000      -0.52702564       1.04437248       2.83473852 
O       5.53284005       3.07636996       8.83326996       0.13726486       1.20331622      -0.61336890 
O       4.41981002       1.51796002       0.29236496      -0.91002141       1.08691408      -1.04794416 
O       7.02252000       5.26147998       6.54051997      -0.77789575      -0.30019635       0.73453101 
O       7.62808004       5.30336005       3.92729997       2.32959200      -2.52965691       1.09098789 
O      11.19870003       4.76527004       9.26994001      -1.77429725       0.20711597      -0.71995521 
O       4.98348001       3.58241003       2.82378999       1.89707452       0.54222482       0.35695847 
O      11.23244878       1.50279004       8.71121004       0.28352945      -1.01634270       0.15827701 
O       5.24312002       8.24779995      10.07150003      -1.94079985      -1.25709669      -2.42083739 
O       1.60094997      11.05279996       1.28768002       1.41306352       0.74361959       0.59655428 
O       9.26234001      11.47913442       1.15358003       1.18404269      -1.88728197       0.39895246 
O       3.39886000       1.68838996       5.22310998      -1.40036700      -3.47625693       1.23266980 
O       2.69268999       4.64489996       1.98158004       2.32579572      -2.93173767      -1.73065083 
O       8.78083004      11.21824778       6.61688004       1.55359225      -2.54895297       0.46772134 
O       0.25545002       1.55490002       0.25377699      -3.18105253      -0.80632925       1.22749449 
O       1.48975004       3.49747006       4.00289000      -0.70019249       0.10629696      -0.07351012 
O       4.74203000      10.94189997       9.62204998       0.98740780       0.94485924      -1.28653647 
O       2.70158998       5.56159002       6.62785005       0.10130554      -2.24132554       1.83949150 
O       1.62134994       6.96072997       4.23221996      -1.62653071      -1.98802343      -4.95390657 
O       4.62472005       5.50806001      11.11588643      -1.78017835      -0.90605133       0.27254473 
O       9.29120995      11.21089998       9.42965999      -0.59293719      -0.22388997      -0.01724522 
108
Lattice="11.50072744 0.0 0.0 0.0 11.50072744 0.0 0.0 0.0 11.15746914" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.08715834168162642 -0.007546050100246227 -0.007647715595726161 -0.007546050100246227 0.10656671607450285 -0.007163302054844215 -0.007647715595726161 -0.007163302054844215 0.12538494058769378" pbc="T T T" energy=-1035.64532093 free_energy=-1035.64532093 config_type=crystal 
Hf       1.37696001       1.51640001       2.16945997      -0.21885467      -2.62154072       0.06713255 
Hf      10.92599998       7.51379004      10.72630001       2.48764026      -0.11617342       1.95646055 
Hf       1.76149995       8.57188997       7.70512002       0.94787637       3.86218825       3.41081090 
Hf       7.35752000       3.14785997      11.07695216       0.25051707       2.71958437      -1.46903032 
Hf       9.31846004       5.37680997       2.78299001      -2.01853526      -1.07656888      -2.46474819 
Hf       3.57010998       7.06032004       4.83400999       0.63369894      -0.93139991      -2.96303634 
Hf       3.61346002      11.28545142      11.03463009      -3.85931682      -1.45588039      -1.08290428 
Hf       7.05066000      11.23607650       4.73938004       0.71764496       1.72012096       0.90495043 
Hf       4.88303003       1.61556998       2.24774000       2.47149189       0.72635832       1.01351301 
Hf       5.16265999       1.74719994       8.05892002       2.50129527      -1.33699311       0.23261398 
Hf       1.04251001       9.49178003       2.82637996       0.15783668      -1.41576761      -2.18109851 
Hf       3.84041997      10.79269999       5.11679995      -0.81207786       0.58522781      -0.15058842 
Hf       3.59311995       3.65733000      10.35929995      -0.97515615      -0.50628940       2.49289197 
Hf       7.50072004      11.44090020      11.12424119      -3.39056728      -3.49377840      -2.15997014 
Hf       9.15404000       1.54127999       2.57609996      -0.56872402      -1.06897361       0.29369493 
Hf       5.28291999       5.61689996       7.84372000      -1.61430578      -2.32472444       0.59639308 
Hf       3.18211005       2.77601005       4.70787000      -0.87280627       0.86086960       0.32490949 
Hf      10.74910004      11.13560005       5.13680005       0.82046479       0.58348221      -0.86058148 
Hf       9.01102995       1.91045001       8.26944004       0.47140217       0.94591483      -1.08942480 
Hf       5.22361005       9.12585000       1.89769995      -2.47064423      -0.39217277       0.04604518 
Hf       3.35460003       7.19391996      10.49279996      -3.72339986       1.99021200       2.93210185 
Hf       5.56462996       5.33019005       2.06502997       0.61668281       0.65304597       1.06912757 
Hf       8.88320995       5.69499002       7.68427999       0.80209054      -1.12139075       3.86039726 
Hf      11.28331941       6.83095999       5.06839003       0.04872223       5.21358980      -2.22106594 
Hf       5.31181005       9.12099002       7.89919002      -0.23821961       4.68968124       1.57174117 
Hf       7.33170006       3.57885996       5.36450001      -0.94656507      -3.21126738      -0.58417149 
Hf       7.29882005       7.50474000       5.51798003       0.17190671       0.71709085      -1.10580028 
Hf      10.94830000      11.28256244      10.28620000       1.14301442       1.75070594      -1.07310353 
Hf      10.85919996       3.24959000       5.48210999       0.74717426      -2.48648756      -0.04039714 
Hf      11.25409998       3.44916005      10.83819995      -1.67944700      -0.75566152      -0.54817072 
Hf       1.13500001       5.14812997       8.16768994       4.61595483       1.01601315       2.54274868 
Hf       9.23765995       9.44983998       7.51464997       0.14289474       2.47963721       0.62675534 
Hf       1.53077994       1.40826005       7.88608000      -1.41548007      -2.19699393      -1.79566058 
Hf       7.29690001       7.45692998      10.51790002       1.85786788       0.44581321       1.45350879 
Hf       8.45972004       8.92056995       2.76689001       5.39437650       0.65173998      -2.18819873 
Hf       1.58671005       5.11644006       1.88636999       0.20154174       0.05996834      -3.14681450 
O       4.95153998       3.05124006       3.86312005       0.61270160      -0.91454229      -0.99085465 
O       8.73602996       7.35768998       1.25657002       0.83402007       0.54080893      -0.85839711 
O       1.72280000       0.11226999       6.19972003       0.15062692      -1.00654295       1.75933091 
O       7.27290006       9.48617998       9.73959001      -0.08940433      -2.99068708       0.16322058 
O      10.72030004       1.31061002       6.67734004       0.10871282       1.45742695      -2.84872603 
O       9.30711998       7.06465995       9.33752001      -0.02271292       0.52531545      -0.40388014 
O       0.03587261       8.81743004       1.18015999      -1.03643968       0.91089071       0.01673428 
O       9.31030004       3.32677000       3.99570995      -1.59186298       1.57084464      -0.17902194 
O      10.84799997       4.87258001       1.28361003      -0.33496354      -0.00912969       3.08265615 
O       3.22457005       9.27013996       9.53269996      -0.13320748      -1.34879600      -1.50476413 
O       7.55614998       9.73459005       1.21798994      -1.12211653      -1.04608789       0.95588972 
O       5.50593002      11.44808367       3.45513001      -1.85078189      -1.49480450       0.40969890 
O      10.93378839       9.85772995       6.61013994       1.26776402      -1.93764002       1.09791446 
O       6.84782995       0.91616704       1.43273005       0.68491597       3.39314426       0.03558613 
O       6.90873999       9.22334005       3.85563004      -0.76286164      -1.03345164       1.81565873 
O       3.30470999       5.46848998       9.43727995       0.69185655      -1.56603888      -1.02102763 
O       1.47430999       2.74090995       5.98022003      -1.67510509       0.98934166       0.32260197 
O      11.20830005       4.76108000       6.96219001      -1.91988432       0.99273283      -1.51939084 
O       3.76425997       1.38643995       6.53684999       1.36719073       1.20776496       0.75007356 
O       7.48441005       1.51423005       3.79757996       1.34134407       0.28153703       1.14364857 
O       7.14231999       1.63578998       6.63303005      -0.11639880       0.34244630      -0.16057570 
O       7.27711001       9.09054000       6.93604002      -0.98362433      -3.52706872       0.50949030 
O       9.02474998       2.53818996       0.74810005       0.35220477       0.53548605       1.60760502 
O       4.04986996       1.40334004       9.85728000      -0.60460431       1.57971041      -1.73580239 
O       1.76827997       3.43099005       9.18518999      -0.13075446      -0.78013987      -2.01629575 
O       1.63569004      11.48420584       9.54769995      -1.67929322       1.32170920      -1.17994612 
O       9.00176002       3.67738003       9.49300001      -0.32077759       0.00444686      -1.18444041 
O       5.41438998       7.17329996       6.41903994      -0.22029755      -0.28870346      -0.09778612 
O      10.88289997       8.76270004       3.97805002      -0.94540947      -0.54842142       0.79440357 
O       1.41086002       7.16230998       9.28939997       0.17296513       0.94983580      -2.51298730 
O       7.58295001       5.22815996       0.71439601      -1.90493950      -1.40339331       0.36732833 
O       9.24050006       7.39731999       6.39294999       0.62910213      -0.64469402       1.31127746 
O       3.41795996       9.04751003       0.98648496       2.30461760      -0.69301526       0.39632516 
O       7.14645002       6.10760001       8.90938003      -1.33115082      -0.38782432      -1.77283738 
O       8.73695002       7.03687005       3.88590996      -0.48550005      -0.36879694       0.33120395 
O       5.39744998      10.84130000       0.64313103      -2.05637685      -0.64420417      -0.20793557 
O       9.12198000       3.40973004       6.62645997      -0.82024537       1.10910250       0.18231413 
O       5.15053995       6.99539003       3.42746004       1.23585324       1.32989526      -0.32575118 
O       7.22086996       1.85638003       9.43722996       0.79009798      -2.51250733       0.97381853 
O       3.24507999       1.67423001       1.02467999       1.63649168       0.02094115      -0.26509852 
O       5.65835997      10.64510000       6.09580003      -2.71613965      -0.24654156      -1.23332075 
O       9.49363003      10.77150001       3.34699003      -1.86641663       1.19676286      -0.59834163 
O      10.81670005       9.36579002       9.70494998       0.07032020      -0.96917775      -0.41108413 
O       1.25471004       6.85166004       0.59835699       0.90553690      -2.38651605       1.01674016 
O       0.86401596      11.24870004       3.75141995      -0.64264080      -1.34723130       0.49445058 
O      10.86908449       5.15890005       4.05893999       1.39911424       0.94266680       0.93873089 
O       3.60656004       9.05785999       3.77388005       0.57753059       1.73242787       1.19068063 
O      10.91659997       1.65489004       3.39207000       0.55644914       0.40370688       0.83083639 
O       5.63895997       7.31323000       0.83738903       0.86238283       0.22267095      -0.95685360 
O       3.69480995       5.31383003       3.89989998      -2.38262847      -0.21665363       0.06648259 
O       3.39122997       9.15862005       6.52400004       0.04867407      -1.07628905       1.00329030 
O       0.93233396       7.30311994       6.61295999      -0.45638749      -1.58980051       0.02239647 
O       5.65425996       3.74865003       6.97297002       0.13799509       1.31944347      -0.21035965 
O       5.38331996       3.51267995       9.59468004      -0.50957755       1.47029063      -2.04406792 
O       7.54693997       5.45263001       6.20483004      -0.35188834       1.56986354       0.12612501 
O       6.92614001       4.76067000       3.56397001       0.98776883       0.10821561      -0.45024815 
O      11.22093050       5.29945999      10.11439997       1.16985324       0.73031415      -3.06160192 
O       5.55540005       3.27605996       0.87405002      -0.86204532       0.72226608       2.37506156 
O      11.01379998       1.91257994       9.18461002       0.14513772       0.05109389       0.73103022 
O       4.72144999       7.32291005       9.14838005       4.07835473       0.84009423      -2.82900356 
O       1.95777999      11.17371645       1.49503994       0.44578377      -1.40394250      -0.74952852 
O       9.29211003      11.47262277       0.42257196       3.63818302       0.08093908      -0.47757890 
O       3.33900999       1.12867001       3.45847000      -1.62758053      -0.46473575       2.84784965 
O       1.57483003       3.57057001       0.52646697       0.68417892       2.09578384       1.22730868 
O       8.67939003      10.53120002       5.76580996       1.74324507       0.33060853       0.78606218 
O       0.15547902       1.58116003       0.65669505      -1.50804822      -0.98848203      -1.03088541 
O       1.79543997       3.24773999       3.14768003       0.64645009       1.84715398       0.98901692 
O       5.33720998      11.10660004       8.70350999      -0.20073681      -1.34290577      -1.63081832 
O       2.92468996       5.13424997       6.70678996      -0.04515033       1.94044859       1.04632025 
O       1.40430000       7.64819996       4.02993002       1.63915569      -2.65647116       0.67978234 
O       3.51294998       5.35731003       0.78228497       0.94706065      -0.35319033       1.38479448 
O       9.77271002      11.44656649       8.39930004      -1.95368231      -1.63888505       2.41444033 
108
Lattice="11.50984175 0.0 0.0 0.0 11.50984175 0.0 0.0 0.0 11.16631142" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.10585267701966458 0.0021503051881257363 -0.009026137400993338 0.0021503051881257363 0.09848906350986994 0.0002432334206733171 -0.009026137400993338 0.0002432334206733171 0.1268807327300129" pbc="T T T" energy=-1032.33594555 free_energy=-1032.33594555 config_type=crystal 
Hf       1.13944003       1.06538997       2.27666004       0.29461688       1.73544485       0.02335270 
Hf      10.96220003       7.66980001      10.32180005       1.08201925      -0.70045042      -1.49220859 
Hf       1.19021996       9.34195005       7.64934005       0.35317724      -2.44375021       0.18017730 
Hf       7.47252996       3.80970997       0.00578683      -0.69233713       0.66361447      -5.38108284 
Hf       9.37447997       5.27880004       2.67678002      -1.09051534      -4.04705325      -1.50652766 
Hf       3.45528994       7.25707999       4.76281002      -1.11846299      -2.69600744       3.09293117 
Hf       3.26655996      10.88219995      10.81209994       0.04737123       1.25825158      -0.30654413 
Hf       7.05400000      10.82600004       5.29734001      -0.56493600       0.68864649      -1.93951560 
Hf       5.16100003       1.44407999       1.98069997       0.42781511       0.14862029       3.85228944 
Hf       5.49151999       2.11098002       7.79280002      -0.31770826       0.72030332      -0.38388161 
Hf       1.89280004       9.21372995       2.46148003      -0.93437086      -1.84774363      -1.88550928 
Hf       3.36813995      11.26539999       5.29806995      -0.05183337       0.24578883       0.65065032 
Hf       3.36710004       3.48083995      10.81230004      -0.37265082       0.25427895       0.95293479 
Hf       7.24816999      11.33748670      10.74150005       1.49446351      -2.49041620      -1.91083923 
Hf       8.92960997       1.60256004       2.26416003      -0.39079893      -1.95927589      -0.14711087 
Hf       4.70833004       5.74244996       7.86915994       0.71009570       0.36359388      -1.81683878 
Hf       3.41689000       3.23349000       4.81493995       2.50689545       5.00610618      -0.74601085 
Hf      10.77140000      11.16580003       5.07544999      -2.31762054      -0.93104496       1.96743174 
Hf       9.23679004       1.72696002       8.06158999       0.55981554      -0.45043035       1.00898224 
Hf       5.53322003       9.20914996       2.56961001       1.51727481       1.01393826       0.81450598 
Hf       3.24834000       7.12415996       0.03203570      -0.10346684      -1.51380773       0.75996338 
Hf       5.45101996       5.45765999       2.20867998      -1.03419970      -1.67549705      -1.14151363 
Hf       9.05400005       5.24420998       7.98752999      -0.93508037       0.26429607       0.84062048 
Hf      11.42632806       7.50363001       4.75555002       1.85178761      -3.82203861       3.62192553 
Hf       5.23125001       9.54491000       7.74823002       0.07402841      -3.88773472       2.84663754 
Hf       7.55535006       3.20638996       5.12974998      -0.86246624      -0.71926647       0.68072721 
Hf       7.34331000       6.76113000       4.97537003      -0.42493540       1.67238965       1.14855482 
Hf      10.82779995      11.19950005      10.72439996      -1.24543628       1.15728024      -0.89981152 
Hf       0.01725613       2.99547004       5.49895000      -1.20153904       2.90260784       0.13409726 
Hf      11.11609996       3.57299994      10.74500001      -0.03711573      -0.65021469       0.01912268 
Hf       1.27127998       5.35256006       8.24278997       0.51756232       2.75321109      -3.17664495 
Hf       8.77752997       8.99450004       7.72874001      -3.03469910      -0.75839129       0.46804225 
Hf       1.64220995       1.40394000       8.02528005      -0.52907032       0.75848860       1.79592065 
Hf       7.43836000       7.66059996      10.93650002      -2.71490816      -1.53777067      -4.55703719 
Hf       9.34187996       9.04566002       2.42210002      -1.43815060      -0.22332865      -2.13638870 
Hf       1.10049004       5.09117005       2.35661999       2.08997652      -0.81658000       0.04988324 
O       4.96752006       3.20218001       3.11257000       0.00275902      -1.43307179      -0.54312368 
O       8.85021002       7.56559002       1.00659005       4.04299178      -3.63614080       0.05564270 
O       1.77640998      11.12339996       6.89121997      -0.26684700       0.99947089      -1.24023562 
O       7.41260995       9.74630000       9.35107999      -0.08886264       0.10719079       2.13915063 
O      10.96010006       1.06825995       6.85147996       0.87766060       0.03917007      -2.73214947 
O       8.70938998       7.55730006       9.22888001       1.92837886      -0.08420462       1.40680235 
O      11.24389995       8.44239998       3.17131999       0.55957713       1.93428922      -4.40421267 
O       9.17950003       3.04583998       3.76828004      -1.25740227       0.52932929      -1.41382144 
O      10.89830003       4.94947999       1.34130995      -0.26460431      -0.16689990      -1.08598009 
O       3.10878006       8.78958998       7.34856004       2.43491007       2.20415291       1.76057755 
O       7.39248004       8.99365004       1.61624999      -2.02134318       2.48581732      -0.46002725 
O       5.86406997      11.13200000       3.36746998      -1.83833275       0.07103339      -0.34264701 
O      10.54749997       9.11915002       8.37011004       2.92825554       0.94696076       0.61784537 
O       7.03131997       1.52172999       1.27567001       0.87052468       0.57911936      -0.42538006 
O       7.09751997       9.00173996       4.43830998       0.34313224      -1.88963111      -2.16020538 
O       3.19823996       5.89439000       9.10317995      -0.62460893       0.60123797       2.90663117 
O       1.54111003       3.20224999       6.78645005      -0.48181374      -2.50303148      -1.21294387 
O      11.45269688       5.35425995       6.60726000       0.22278633      -0.03006417       0.99139675 
O       3.58524998       1.19640005       7.25883002      -0.95862832       2.32763808       0.31024830 
O       7.44492003       1.15543998       4.23464003       1.56268406       2.99453442       0.11432892 
O       7.14298005       1.99555001       6.72210005       1.54005216       0.08665458       0.95890481 
O       6.95398005       9.24678000       6.71448998      -2.29684315       0.74317228       1.35063282 
O       9.33488001       3.05308002       0.47892701      -0.73689445      -0.29088788       1.11544762 
O       2.52031005       1.37064997      10.05010002       1.09597202      -0.28208822      -1.83951311 
O       1.63042997       3.70922997       9.23095002       0.40686762      -0.77086691       2.80493111 
O       0.98233702      10.63099996       9.72114998       1.07687962       0.00846848      -1.68091425 
O       8.75196005       3.34897998       9.13860999       0.87179691      -0.49807413       0.02748910 
O       6.05660004       7.20117001       2.81760005      -0.19954019      -1.10935439       1.79824704 
O      11.01820001       9.24051002       5.44022000      -1.17298695       1.57280144       1.82377964 
O       0.84832299       7.55803001       8.74631000       0.54322124      -0.83042355       0.99371885 
O       7.56789003       4.79561999       1.59873005      -0.01367740       1.12809272      -0.06361697 
O       8.82669000       7.06505002       6.54139004      -0.22618291       1.07492090      -0.46996216 
O       2.08186001       8.88475002       0.29911500       3.12199162       1.19818890      -0.14068710 
O       7.74080998       5.47309998       9.82576000      -0.05021365      -0.95710653       2.20757705 
O       9.16882995       6.72289005       3.80442997      -0.57310971       4.68150078       1.85550775 
O       5.03667003      10.52399998       1.01807996      -1.18954181       0.68376040      -1.42594039 
O       9.64787002       3.34692996       6.75359005       0.50907942      -0.25107763      -1.62673940 
O       5.39182001       6.50156995       0.09987205       0.97686607       1.17162049       1.76943728 
O       6.74240004       1.03261006       9.38826995      -1.36417133       2.63156792      -1.25545406 
O       3.42351000       1.18713003       1.05242999       0.07278763      -0.37963876       0.42033433 
O       5.31069002       0.10778104       6.34297999       0.57796558      -3.19026266      -1.12970015 
O       9.23059003      10.74400001       3.40007997       1.78828220       0.82810797       0.76180929 
O      10.58399998       9.32079001       0.38150697      -0.22495302      -0.03131157      -0.08358002 
O       1.08669998       6.78807995       0.55897595      -0.03911567      -0.90833072      -0.18791932 
O       1.53663006      10.76959997       4.13343004       0.72615262      -0.39044389      -1.99015769 
O      10.87899998       4.79605000       3.85261997       2.41743674       0.87421730       0.26240464 
O       3.84758000       7.95831998       1.85023000      -1.29920548       1.87635724       1.38571465 
O      11.18582071       1.15371005       3.88979999       0.96051199       1.37772375      -1.05001245 
O       5.79622003       7.73484995       8.80788003      -2.25709810       0.02677451      -1.62942916 
O       3.47529002       5.18339001       3.90713000       2.02760281      -0.17736843      -0.03027244 
O       4.11952003       9.24792005       4.41191003      -1.48116931       0.59688021      -0.78527228 
O       1.62318004       8.19082994       5.70927998      -0.52933678      -1.63770573      -1.73703614 
O       5.21431995       3.80147997       6.02881001      -0.80618690      -2.59978563       0.36109841 
O       5.24506999       3.84930003       8.98839998      -1.62605968      -1.32660921      -1.63796786 
O       7.53480004       4.92547000       6.91703001      -1.19309162      -0.22342880      -2.38814879 
O       7.10902003       5.06849003       3.77444999       0.30685331      -0.28355893       3.55947856 
O      10.96900004       5.55698003       9.67086004      -0.08817879      -1.98011157       0.12256125 
O       5.41996998       3.63755001       0.37424496      -1.77756113      -1.36892245       0.51864774 
O      11.20299996       1.79832000       9.24801996      -0.19907578       1.29094722       1.30920619 
O       4.99206997       6.85559001       6.01081997       2.30333003       0.48761310      -1.08627890 
O       1.20335004      10.77990002       1.20514002       0.49291702       2.35192682       3.01797630 
O       8.95435003      11.44742388       0.72698404       0.29454301       0.49600846       0.83497847 
O       3.22482999       1.43385994       4.01995999       0.54314441      -3.29788704       1.11704675 
O       1.61199005       3.26365004       1.13074000      -0.38386475       0.51952179      -1.19644200 
O       8.77127000      10.76849998       6.31029005       2.74628242       1.20091559      -0.36907965 
O      11.07880002       1.53716998       1.10409997       0.87623089      -1.53984358       0.65233102 
O       1.51025997       3.26136994       3.92157998      -1.11087621       0.31407607       0.56929175 
O       4.83926002      10.54730004       9.45237999      -2.78547973       0.55869680       0.94426348 
O       3.03335998       5.58987999       6.63154997      -0.91221313      -0.15895186       1.22811349 
O       1.84028995       6.72356004       3.41457004      -2.39625682       2.36217084       0.30188684 
O       3.33361998       5.30831001       1.05255996      -0.60287239      -0.92793577      -0.66603992 
O       9.20583006       0.02493112       9.34972998       1.17317478       0.75633032       0.63416546 
108
Lattice="11.51886517 0.0 0.0 0.0 11.51886517 0.0 0.0 0.0 11.17506553" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.1019890327874144 -0.008308961419841984 -0.014038616952710936 -0.008308961419841984 0.0945656260321334 -0.004369143557034733 -0.014038616952710936 -0.004369143557034733 0.12872580577103876" pbc="T T T" energy=-1027.97361318 free_energy=-1027.97361318 config_type=crystal 
Hf       1.89337994       1.63262002       2.47761998      -3.55689508       1.10681503      -0.45001948 
Hf      10.88750004       6.58458995      10.91180848       3.03272651       3.93616639      -1.48946880 
Hf       1.27404005       9.04514003       8.08075995      -2.84023840      -0.73717484       0.09934907 
Hf       6.86053001       3.40533996      10.57670000       0.26504552      -1.99728762       3.06688248 
Hf       8.98981999       5.20842997       2.19743997       0.46661905      -0.62263965      -0.14945063 
Hf       3.16259002       7.69112001       5.26533003       0.44507628      -1.05737026      -0.39083575 
Hf       3.85478996      10.98610003      10.95990350      -3.07956419      -0.10286082       0.19318967 
Hf       7.19481001      11.07330003       5.38774003       0.16265824      -1.30276226      -0.98648821 
Hf       5.30913999       1.55205005       2.84587996       0.58553126       0.39221144      -0.85011872 
Hf       5.30920000       1.48334002       7.77415001       1.75609101       0.43136473       2.14670670 
Hf       1.59418998       9.27190998       2.48875001      -0.26688300      -1.49387752      -1.76035055 
Hf       3.55347994      11.51022752       5.63775999      -3.45903450      -0.97666643      -0.91028394 
Hf       3.02675000       3.09634998      10.52960000       1.36427645       2.23287485       1.39239270 
Hf       7.17160998      10.89260002      10.44569996       4.93771287       1.60445249       2.57058424 
Hf       9.48066003       1.65957002       2.27179997      -1.14965303      -0.84347216      -2.68862691 
Hf       4.92027001       5.35861996       8.10830995       0.13487348       1.31848252       1.97350762 
Hf       3.62215000       3.67512999       5.29317997      -2.31908015       1.53606805       0.11767755 
Hf      10.68340004      11.11870002       4.93438997       1.80983386      -0.01474341      -0.45273112 
Hf       9.44501997       1.29948004       8.04862996       0.17116682       1.70792020       1.90581349 
Hf       5.60681004       9.43887005       2.53296997      -0.20276315      -0.95251833       0.28103337 
Hf       3.04340996       7.30819999      10.26010000       2.40914892      -1.60723984       3.12321226 
Hf       5.43952997       5.71598999       2.13600996      -2.50489137       0.28141342       0.13431725 
Hf       8.71361005       5.01447002       7.69480001       4.04567815       0.23379088      -0.26121449 
Hf      10.81999995       7.21123003       5.27944001      -1.39362138       0.77424143       1.37473912 
Hf       5.31040994       8.82885998       7.86909996       1.47048022       1.73109872       2.23754215 
Hf       7.28730004       3.71731000       4.81841000       2.12858438      -0.18531158      -2.22818735 
Hf       7.07297002       7.35108000       4.84742002       1.50034046      -1.77559242      -0.99857297 
Hf      11.43785138      11.10619998      10.80499999      -5.12411194       0.25827834       1.62749645 
Hf      11.32976918       3.34706994       5.01526001      -2.59494989      -0.18406459       0.29313154 
Hf      10.82230004       3.26530996      10.51320004      -1.21739160       0.64173675       0.49453661 
Hf       1.17193003       5.56130004       7.39904005      -2.33099591       0.06232435       3.42972032 
Hf       9.21852004       9.43126000       7.94151998       1.69883133      -2.34159280       0.00053884 
Hf       1.21910002       1.50208997       7.86247997      -0.43701322      -3.99325878       0.15548673 
Hf       7.37197004       7.03560005      10.81660005       1.83055288       1.65936626      -1.83891857 
Hf       9.48647994       9.12654996       1.95465999      -0.60231111       2.94528311       0.10704084 
Hf       1.83716995       5.47005001       2.62305999      -0.89128515       0.19905911      -2.08702379 
O       5.18817002       3.17880006       4.27982000       1.27786875      -0.59174056      -1.33823492 
O       9.38850001       7.10909998       1.42631999      -0.95244688       1.14805388      -2.59703529 
O       1.48544002       0.01403482       6.18717996       3.00435902      -0.41098816       0.18870296 
O       7.15804997       8.84625001       9.41581005       0.41652967      -0.93835023       2.11806425 
O      11.25250005       1.51394000       6.54771999      -2.81964953       0.14789876      -0.08735838 
O       9.29106999       6.86862005       9.91879003      -6.22401433       0.38644538       0.44866594 
O      10.07209997       9.58237000       3.97775005       0.40293977      -2.49354810      -1.79324435 
O       8.67977995       3.45808001       1.02117000       1.05933907      -2.91315431      -0.15408848 
O      11.49310714       5.32078003       3.64581998      -1.05756529       0.58946833       0.79570562 
O       3.04193002       9.27754005       6.45830002       1.09320940      -0.35517376       0.00223591 
O       7.55584004       9.77949994       1.01733997      -0.13476141      -3.11189687       1.01280777 
O       5.27696999      11.04640002       4.26099996       1.99194403       1.51802837      -0.36707198 
O      11.11600000       8.35264003       9.10480999       0.26208508       1.43463532      -1.26485839 
O       7.60915994       1.13756004       0.53273202      -1.64593195       0.12530365      -2.24011873 
O       7.22141997       9.29626005       4.05442999      -1.71935313      -0.44228117      -0.02020426 
O       3.61675998       5.22616004       9.55938998      -0.77776717      -0.35490382       0.11181097 
O       1.34382997       3.07436000       7.00305999       0.51906971       6.74416773      -0.70820164 
O      11.18880004       5.38486996       9.10035002       0.37816793      -0.33890074      -0.04536335 
O       3.45144998       1.99951995       6.49422003       2.80571125      -2.83141080       0.77216352 
O       7.13485996       2.27987001       3.11968996      -1.45773497      -1.27200649       0.66592707 
O       6.85083999       1.32224005       6.03748996      -1.01787255       1.14819445       0.39758247 
O       7.19585005       9.62790004       7.22698997      -0.03990717       1.71252854      -3.39763594 
O       9.29102000       3.36831994       8.99986998       0.40556906       0.11583110       0.67202477 
O       3.18939004       1.39476997       9.53389999      -0.87251148      -1.41217524      -0.25212211 
O       1.14790997       3.57962996       9.98204995       2.35130545      -1.52986452      -0.37165503 
O       0.73301704      10.63899999       9.02405997       0.19420039       0.31041433      -3.30383104 
O       9.51526996       3.40974006       6.29496001      -3.07036185       0.09980290       0.86886626 
O       5.06718000       7.29139005       3.73052005       2.44376596       1.76052695       0.49218265 
O      10.85319997       9.17850995       6.28751004       0.44479046       0.25726162       0.23461466 
O       0.79579002       7.09865997       1.50775996       0.68066582      -0.87814221      -0.60768373 
O       7.25334001       5.10207998       1.01795996      -2.68682843       3.34660341      -3.34143473 
O       8.98249999       7.53422005       6.95812997       0.27054916      -0.92826973      -1.05717268 
O       3.50483002       9.13816005       9.40509004      -0.32441025       0.08152147      -0.49173606 
O       7.09707002       5.01734997       8.97400004      -1.17173949      -0.06745850       1.00008750 
O       8.83384995       7.06917997       3.67097997      -0.18605282       0.42485705       3.38249864 
O       5.50762006      10.98910001       1.25903004      -2.39749190      -0.32911793      -0.30069767 
O       9.05083001       3.77748996       3.62129999       0.72128413      -0.97774803       1.63952136 
O       5.66829003       7.43546997       1.17444999       1.62070249       0.49918068      -0.51488130 
O       7.51437005       1.51671006       8.64618005      -2.21138295       0.08873094      -0.41275894 
O       3.49937998       1.12111997       1.24996002      -0.31160784       0.23156582      -0.23601185 
O       4.90759995      11.08278420       7.15377005      -1.15546848       1.21399503      -2.56658416 
O       8.92900995       0.20427003       3.76797004      -0.17012396       0.89774508       2.65624326 
O      11.10709995       9.34710996       0.95122895       2.20391570      -1.32162705      -0.39260558 
O       1.75920002       7.58189997       3.92074000      -0.72127026       0.54433592      -0.71658225 
O       0.50035796      11.10750000       2.98071003       2.68511926      -1.01659793       0.55885954 
O      10.93920005       5.41902996       6.45564002       0.24776499       1.21979183      -1.74474887 
O       2.99029003       8.97299001       0.95635596       0.84996217       0.69889791      -0.95655874 
O      11.39662121       1.91100000       3.53574000      -1.54711834       0.60292400       1.35344792 
O       5.29602000       7.19382998       9.07696005      -0.97589936      -0.31639939       1.10426307 
O       3.58468006       5.42972004       3.67386996       0.01549045      -1.68524429       0.65319562 
O       3.25824002       9.73303998       3.46684997       1.00652712      -0.05466728       0.99293529 
O       1.67012003       6.96432005       8.98538005       0.88245174       1.16106029      -0.48936259 
O       5.08099999       4.13544999       6.69179005       1.09964114      -2.56485378      -2.37197512 
O       4.92631995       3.02028999       9.25814999       2.12144040       0.15321853      -0.92871872 
O       7.61061005       5.47556997       6.06909003      -1.06668176      -1.03066301      -0.89039617 
O       7.12907000       5.37082996       3.35998997      -2.65318776      -0.29119109       2.05523031 
O      10.31089998       4.99973002       0.44606000       0.72526836      -3.13501362       1.60728212 
O       5.17861005       3.38618997       0.64192895       0.79858135       0.24890624       0.14120853 
O      11.07970003       1.39734006       9.48251000       0.04562892       0.38221940      -1.51148193 
O       5.31706001       7.37943000       6.50536995       0.09005517       0.47009079      -0.94594142 
O       1.75053000      10.97859998      10.98024257       4.42498330       1.03571144       2.82253132 
O       9.69026997      11.12049996       0.92609802      -0.40009531       0.88409294       1.78321787 
O       3.29123005       1.40038000       3.90428003       0.89955686       0.06234879       0.00271168 
O       1.67111998       3.52016001       1.39181999       1.75279603      -1.62476092       1.79155309 
O       9.73368999      11.19460002       6.91993996      -2.70601810      -0.74542820      -1.67666418 
O      11.10720005       1.72412001       1.05950997       0.32728639       0.87800350      -2.01006946 
O       1.58450998       3.58901000       4.40618005       4.37062037       0.28665237      -0.06963884 
O       5.60600003      11.01489996       9.27839999      -2.12825178       1.14827327       2.72344298 
O       3.06282996       5.64484003       6.67915004       0.59535601       0.23308399      -0.92287550 
O       1.06623005       7.48951994       6.40074999       1.00111926      -1.88580078       0.18658318 
O       3.17022000       5.71994004       0.95962400       1.08995202       1.30710176       0.20271982 
O       9.22827997      10.98859997       9.49139004      -1.21861169      -0.61461000      -1.52389127 
108
Lattice="11.52809106 0.0 0.0 0.0 11.52809106 0.0 0.0 0.0 11.18401605" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0829940024112977 0.0005169366156313345 -0.004378828912443459 0.0005169366156313345 0.09874836924720654 -0.011352585747330361 -0.004378828912443459 -0.011352585747330361 0.11024682913660451" pbc="T T T" energy=-1031.855441 free_energy=-1031.855441 config_type=crystal 
Hf       1.58325996       1.17785999       2.43378997       0.49113302       0.89488823      -1.22180447 
Hf      11.23150002       7.12744000      10.67789996      -0.07172201       0.62289498      -1.08635166 
Hf       1.54594998       9.02881003       8.73043999      -2.36574537       0.35236185      -4.89589834 
Hf       7.36950997       3.71412003      10.44439996      -1.33424958      -1.88967060       2.53347473 
Hf       9.31672998       5.83925998       2.26602995      -1.14683768       1.48217297       4.40269755 
Hf       3.32798996       7.17456004       5.28015001      -1.67747682       2.55658153       2.10028860 
Hf       3.09479997      11.10589997      10.57349996       2.45385593       3.36288284      -1.50466136 
Hf       7.25046998      11.12159996       4.91612998       1.06798827       1.74463540       0.10689684 
Hf       5.16082998       1.49788995       2.09346998      -0.65271605      -1.18261632       0.05706925 
Hf       5.05431999       1.50583995       7.95723998      -4.30000524      -0.58120413      -0.99645040 
Hf       1.86715004       8.89086996       2.06286000      -3.45930534       6.16288133       5.98158421 
Hf       3.13528997      10.85629997       5.49635002       1.27102632       0.86634262       3.65895962 
Hf       3.66099997       3.32300003      10.81100004      -3.82503650      -0.53779734      -2.34142542 
Hf       6.84061995      11.15850000      10.48569996       0.91409445      -2.03386897      -0.95653099 
Hf       8.87182002       1.59052000       2.27132995      -0.18036708      -2.97727365      -0.85553383 
Hf       4.96807004       5.40408999       8.27318004      -0.24501018       1.30696554      -0.59838055 
Hf       3.17228995       3.19328998       4.92744003       1.64727709      -1.58087087      -0.57411859 
Hf      11.20820002      11.14590003       5.11451999      -0.86173951      -2.28788600      -0.55209483 
Hf       9.02333003       1.43127003       7.97097999      -3.56433270      -2.15124419      -3.03805966 
Hf       5.86336003       9.05207002       2.49371001      -1.24561730       1.81537172      -2.46870772 
Hf       3.74404004       7.37009998      11.01961403      -0.01093538      -0.50467989      -0.68729419 
Hf       5.21799997       5.76480004       2.53390000       1.20908113      -4.37403826      -0.83263295 
Hf       9.26711999       5.17104998       7.85805006      -0.62908517       1.36511029      -3.62374188 
Hf      11.09599999       7.13361998       5.20534997      -0.72791812       1.00930797      -0.96173266 
Hf       5.46355004       9.15726996       7.31356999      -5.32602472       1.69519608       4.19213293 
Hf       6.79507004       3.45880002       5.29754004       2.80978331      -0.32381595      -0.44708709 
Hf       7.30585001       7.14800001       5.40518004       0.55287699      -1.62107754      -0.15498988 
Hf      11.31746108      11.40884011      11.00574205      -1.20742933      -3.43604581       2.25814980 
Hf      10.56920001       3.28581998       4.91365003      -1.09338383       1.25825257      -2.92532565 
Hf      11.09320005       3.17721003      10.72760005       1.49551193       1.60410108       3.38922581 
Hf       1.34387995       5.27849997       7.79053003       3.44272736       2.67965681      -1.14873954 
Hf       9.24592998       9.53397997       7.88953004       1.13432152      -3.96303948      -1.18617604 
Hf       0.98659202       2.01790000       8.21166001       3.16002014      -2.26405699      -2.35620836 
Hf       7.62747995       7.04561004      10.88059996      -0.55821150       3.12496756      -0.49443472 
Hf       9.40498005       9.31922005       2.25900997       2.67890954       2.81281594       0.76345070 
Hf       1.52763000       5.47112999       2.27618001       0.04373065      -0.76623237      -0.29217379 
O       5.46499002       3.67020999       3.47520002      -0.04278235       0.67742853       0.53272224 
O       8.94215002       7.78598002       1.16544996       0.12460238      -5.42926968      -2.47225623 
O       1.21966996      11.46358828       6.28627003       0.74674775       0.30622818       0.11644946 
O       6.31399000       9.43371001       9.33754003      -0.26005807       1.49103720       1.34238747 
O      10.94800005       2.38653999       6.51000000       0.29908873      -2.76806276       6.66838853 
O       9.05012996       7.75449000       9.36224004      -0.29796488      -0.51886770       1.84362311 
O      11.36016608       9.20507996       1.52448003      -2.22599568      -1.19835564       1.45537151 
O       9.36762005       2.90080998       0.38087703       0.24824884       2.31898074      -0.18176868 
O      10.62529997       5.29985000       4.06479004       0.38190806      -0.31307040      -1.70110317 
O       3.46245005       9.34961997       6.90436004      -1.77975500       0.91932862      -0.79823965 
O       7.28703006       9.43375002       0.73304504      -1.72468678       0.18614102       1.76982852 
O       5.20341002      10.79930001       2.86700999       0.49804759       0.96102120      -1.33013505 
O      11.37923401       8.79958004       7.76022000      -2.67186372       1.07237491       0.04509575 
O       7.57313998       1.47886998       0.46639304      -0.89265152      -0.27201501       1.37923315 
O       6.97237000       9.05556004       4.08543003       1.45855717      -0.59241586       0.60451218 
O       3.30533000       5.43818006       9.71856995       2.24689439      -0.43302358       1.30262372 
O       1.85364995       3.38550995       6.25755998      -1.11468033      -0.07926678       2.49842362 
O      10.49439999       5.49189001       9.48522004      -0.04705201       0.04468733       0.85008751 
O       3.91744997       1.23810003       6.13690995      -1.64670587       1.17218517      -0.90997972 
O       7.00241002       1.17925005       3.73512002      -1.12336987       0.97646605      -2.92502653 
O       7.55108997       1.66431005       6.20878996       1.53148815      -0.91872208       1.04368166 
O       7.28851003       9.14822998       7.10421997       6.61813933      -0.88539698      -2.98435528 
O       8.56964996       3.48507000       8.84136004       0.72826789      -2.10224534      -0.22404897 
O       3.04901996       2.03201004       9.22127995      -1.10818264       1.63984583      -0.63022541 
O       0.84154096       3.85737997       9.13842003      -0.54051146      -2.63301072      -1.10239171 
O       1.63541004      11.46615512       9.20803998      -2.50968136       0.67734143       0.99805446 
O       8.82588000       3.98392002       6.02388999       0.83466111      -0.00725155       1.11375175 
O       4.92036000       7.38003005       3.39870001      -0.15029007       0.49278754       1.19765310 
O      11.09170001       9.02618001       4.89740995      -0.39891749       2.09689769       0.84878063 
O       1.44878005       7.29455997       1.16924000      -0.03378528      -4.55232948      -3.01500514 
O       7.56666996       5.20211000       1.13456005       1.31656231       0.47507088      -3.01547949 
O       9.08999998       6.73178001       6.34760004       0.07863373       0.91749667       0.47911372 
O       2.96841001       9.19315000      10.04760001       2.15194529      -2.99245809       2.47496697 
O       7.22042997       5.49962006       9.52665000      -0.14043681       0.36195929       0.51995633 
O       9.53322995       7.64001997       3.59070004       0.16381110      -1.40735567      -0.66621027 
O       5.22459001       0.36847699       0.02856219      -0.20914575      -1.29274059       0.33891332 
O       8.90790998       3.00025003       3.56409998       0.91905614       0.70454663      -0.62435966 
O       5.62873998       7.06978998       0.64339005      -0.14584634      -0.27093890      -0.23127315 
O       6.74887997       0.90243395       8.66608000       2.56099501       0.08221050       1.43858624 
O       3.19171997       1.19902995       0.66149999      -1.02383173       2.22045577       2.13083942 
O       5.46939997      10.80989998       5.56264998      -1.07263945      -1.29585140       1.62104130 
O       9.07262000      11.10890004       3.85994997       0.17338489      -1.25128686      -2.04009279 
O       0.05762697       9.60139002      10.29279995       0.05141877      -2.22558110      -1.46512565 
O       1.12244999       7.32962001       3.93472999       2.21449798      -2.59272568      -2.41332134 
O       1.32061004      11.00219995       3.21574002      -0.87540976      -0.10814441       2.52127271 
O      11.30400307       5.07192004       6.68166000      -1.14629254       1.16844150       0.81011256 
O       3.68581004       8.75118005       1.52523998       2.53161368      -1.24248733      -2.20732822 
O      11.00880001       1.30984995       4.22914005      -0.74612200       1.52064418      -0.96494576 
O       4.78966003       7.41613995       8.35106005       0.32749331      -1.94004703       3.27767694 
O       3.23363000       5.30405003       4.21615004      -0.30695131      -0.01743876      -0.72799475 
O       2.77180003       9.36422998       4.43073003       0.69499465      -3.91375201      -2.57682267 
O       1.28537005       7.04072997       9.35409003      -1.44049590      -0.18878660       1.70207920 
O       5.38835000       3.05820001       6.46224000      -1.10717070       1.29060019       0.58101557 
O       5.26490005       3.27880998       9.30912995       1.55087645       1.63464029      -0.17211945 
O       6.76105998       5.49357000       6.53322999      -0.60060521      -0.12628223      -0.29482879 
O       7.62086006       5.76918003       3.52499003      -1.67168367       1.44537667       1.57510011 
O      11.11140002       5.42216996       1.01369002      -0.10085626       1.02292378       0.23623963 
O       5.25366996       3.17180001       0.62035198       1.84110458      -0.30427272       2.52647530 
O      10.61240003       1.39478005       9.43713996       2.30188546       1.55930519       0.08202942 
O       5.20141001       7.55557002       6.13835996       0.90927601      -0.86515894      -3.79294864 
O       1.74415994      10.62349997       0.92252799       0.17746045       1.43748809      -2.34051296 
O       9.50698003      10.97380004       1.00043999       0.91398052       1.18091348      -0.92585492 
O       3.47321002       1.60513001       3.33461996       0.86756251       0.73918063      -0.07504310 
O       1.65170004       3.56305005       0.50567298      -1.03638940       0.60136305      -0.04395359 
O       9.50615000      11.03759995       6.54028006       0.75378814       1.17236662      -0.07824842 
O      11.31359997       1.35879995       1.31210999       0.48903615       0.70978916      -2.02632912 
O       1.12847999       2.95448005       3.34675003       1.31310767       2.57134176       1.15165961 
O       4.01804997      11.25506909       8.40015005       2.44513363       1.20459657       1.26474557 
O       3.54590005       5.23554999       7.03460999      -1.70031044       0.15578422      -0.91374278 
O       1.81382996       7.41598997       6.76246004       0.06611796      -2.85204646      -1.15787185 
O       3.50581999       5.55435001       1.36703000      -0.65827272       0.70312442       0.71778757 
O       8.77795000      10.98520005       8.90081002       0.13181834       3.43631843       2.72528761 
108
Lattice="11.53724712 0.0 0.0 0.0 11.53724712 0.0 0.0 0.0 11.19289883" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.10166051514262615 -0.012036550733321 -0.0013848410538484371 -0.012036550733321 0.10760790042855183 -0.014186264794358932 -0.0013848410538484371 -0.014186264794358932 0.12279454886925285" pbc="T T T" energy=-1028.47546489 free_energy=-1028.47546489 config_type=crystal 
Hf       1.25946001       1.73968996       2.23556003      -0.28084386      -1.28250003      -1.98771431 
Hf       0.09012159       8.06119005       9.92174996       1.21310564      -1.03996378       0.79038986 
Hf       1.40798995       9.15982002       7.36615999       3.84696026      -2.49538350       2.04453051 
Hf       6.95589005       3.79319996      10.98664180       3.93345251      -1.11016586      -0.40918108 
Hf       9.14360996       5.27186004       2.64542004       0.05671429       0.79913486      -3.50627470 
Hf       3.39958000       6.90296997       4.77026003      -2.78524422       2.11119720      -0.89159746 
Hf       2.88705003      11.23720001      10.93030480       3.03508313       0.29542463      -1.70105770 
Hf       7.61420998      10.96050002       5.46821002       1.05354110      -1.14480927       0.19229404 
Hf       5.20873999       1.42433004       2.63690996       2.15896552      -2.37451089      -2.91184537 
Hf       4.88411001       1.10149006       8.09453005       0.35091346       1.14298377       2.56317625 
Hf       1.86019996       9.40362998       2.42393999      -0.81010757      -2.20717612      -0.93220637 
Hf       3.92527998      10.91659999       5.05835002      -1.96159872      -1.87739911      -0.08427817 
Hf       3.59258003       3.50652002      10.72820000      -0.92753377      -0.86502566      -0.37191435 
Hf       7.14119001      11.47111135      11.08158086      -2.50521509      -0.50226459      -0.31379622 
Hf       8.89552996       1.64174000       2.52975005      -0.06058137      -0.45575920      -0.26939013 
Hf       4.88681999       5.45735002       7.93716002      -0.44194606       0.29212232       1.98664910 
Hf       3.48429997       3.21939001       5.12101996      -0.78382147       1.48377633       2.08420991 
Hf      11.26254515      10.95140002       4.87355000       0.47758418       0.66891139      -1.50772469 
Hf       8.59330000       1.51792999       7.84325999       3.19841286       0.39748750       0.59904202 
Hf       5.74050002       8.92516995       2.26647001      -1.02546193       2.04958424      -2.64550950 
Hf       3.26356001       6.95944998      11.00383085       3.06923750       0.82121110      -1.25404431 
Hf       5.29277003       5.17904000       2.29687999      -0.64433359       0.89571274       0.95124482 
Hf       8.90129004       5.13824995       7.80166002       2.23611184      -0.18100818       2.55088377 
Hf      11.10199997       7.58483004       5.52654999      -1.91067859      -1.87439646      -1.82755219 
Hf       5.24016999       8.88624997       8.02596000      -0.52560040       0.62637994       1.10380932 
Hf       7.23765997       3.57870996       5.24859001       1.04008872       0.98328348       1.75546481 
Hf       7.17091999       7.50556996       5.26168996       0.08769232       1.04409070      -1.47151303 
Hf      10.64170004       0.00653308      10.72320002       2.72845092      -2.61398347      -0.54487811 
Hf      11.04419998       3.38050997       5.03464995       0.30919252      -2.73936057       0.60519182 
Hf      10.82910001       3.70492998      10.32140003       0.50866402       0.19674130      -0.92998859 
Hf       1.07440002       5.18371005       7.36635005       0.80562367       0.48499690       3.06823803 
Hf       9.03903001       8.90505996       8.26179997      -2.50021492       3.91372858       2.26141821 
Hf       1.33479996       1.20626003       7.61338997      -1.92454298       0.43661278       2.44670344 
Hf       7.68224005       7.28290005      10.86019999       0.85680915      -0.23044636       2.87386330 
Hf       9.57289997       9.67422999       2.12875001      -0.64032813      -3.84971989       0.61633475 
Hf       1.17742003       5.20678997       2.19111997       0.33403392       0.68711758      -0.43339334 
O       5.82128002       3.15509997       3.88432003      -2.06793975      -1.31740025      -0.99410846 
O       8.96064999       7.46217999       1.57196004       0.13429807      -2.65054605       0.09376383 
O       1.47985004      11.02059996       6.32150996      -0.43970139       0.24082343      -0.80870938 
O       6.94530001       8.61733001       9.59200996       1.41944797      -0.65778379      -1.55685890 
O       3.37726005       1.51183002       3.75040002       1.16360166       0.65220548       1.71509348 
O       9.67267004       7.45377003       9.82199001      -0.25614181       2.58042183       0.76001957 
O      11.01199998       9.31362999       0.90737596       0.09613998       0.05975137      -1.45594144 
O       8.48456999       3.39974995       1.28577004       2.39176569      -0.90775665       1.92689590 
O      10.91830000       5.77770003       3.41418000       0.73572916      -0.89947540       0.62943971 
O       3.39395006       8.51551000       6.66493003       2.28697433       1.84362138       0.32504094 
O       5.63425997       7.45586000       0.45514502       0.34452254      -0.33901049       1.90633388 
O       5.00148996      11.15529998       6.76874999       0.90280405      -1.92133654      -3.67149360 
O      11.26149999       9.31092000       6.35783002      -2.63294025       1.99180608      -0.34779914 
O       6.77943997       1.67907003       0.87384405       2.12277878      -2.06569227      -0.75306897 
O       6.35485001       9.29415996       4.51869000       1.99015721      -0.93571379      -0.17607489 
O       3.27941000       5.34567004       9.80084998      -0.57826833      -1.47201985      -0.76653455 
O       1.54992001       3.54376998       8.96981004      -2.27155269       0.08038219       0.06556194 
O      10.85470000       5.20487005       8.78285001      -0.27343380      -2.64988884       1.43650465 
O       3.12812000       1.22374000       7.01068998       0.25106400       0.13155894      -1.95286471 
O       7.04358005       0.65872605       3.20848004       1.07249399       1.79095842       1.06662854 
O      10.84210006       1.38131999       5.63654999       2.02531349       1.28118639       0.42939967 
O       9.30711006       7.29029000       7.41835998      -1.61359138      -3.53070071      -2.75952840 
O       9.10914001       3.04315002       9.44005002       0.76274916      -0.10236037       0.70466826 
O       2.02554002       3.28361002       1.15320996      -0.48721715       2.43374936       0.50828779 
O       0.24658604       7.24675005       7.86589998       1.44457783       1.82329325       2.06693117 
O       1.64715996       0.11833201       9.31957995      -0.07349771       1.24003030      -0.85998616 
O       9.06520006       3.41828996       6.69105996       0.78291341       1.28224998      -0.03296895 
O       5.25117999       7.05304002       3.49374002      -0.22516625       1.08012841      -0.39757058 
O      11.32170215       8.93466003       3.83344003       0.22872053       1.39926377      -0.53103587 
O       1.42226994       7.09971003       0.44942097      -1.46253769      -0.26116090      -0.55001331 
O       7.09144001       5.35203999       1.52705995       0.04362591       0.24988756      -0.86236181 
O      11.03490004       5.40050000       6.26898996      -1.53874930      -1.98954829      -2.40041258 
O       5.63727996      10.89580006       0.94625102       0.92195494       0.11042348       0.02505742 
O       8.24320997       5.22532998      10.06200001      -1.78303746       2.34363692      -0.80675362 
O       9.12536000       7.92338998       4.82851000      -2.66387078      -0.99367607       0.27723495 
O       4.94296001      10.97620002       9.35005005      -0.33087339      -1.33601256      -0.26369716 
O       9.23139999       3.52894000       3.96196002      -1.14263002      -0.02158806      -0.10486970 
O       3.78723001       9.37130999       1.13970998      -2.60564614      -1.00190138       1.14389931 
O       6.99866001       1.36427001       9.13552001       0.05931994      -0.88463386      -0.45470658 
O       4.95514000      10.80180000       3.39314004      -1.57205255       2.01315956       0.97804126 
O       7.88146997       1.52701996       5.91809997      -2.28358583      -2.04362649      -0.70534147 
O       8.98024000      10.80129997       7.29345003      -0.94312749       1.46379142      -1.88213231 
O       0.03095017       9.80354996       9.04117999      -2.53615013      -0.55275027       0.42727031 
O       2.12283997       7.06539998       3.14259998      -0.98049147      -2.42819934      -1.11366738 
O       1.11860002      11.13190002       3.06455000       0.24151671       1.14829306       2.91033111 
O       1.57343996       3.50172998       6.28194004      -0.86002132      -1.30827708      -1.72147552 
O       1.37026996      10.80360004       0.76106395      -0.24728363       0.03271372      -0.44293484 
O      10.76680003       1.26104995       3.36887003      -0.07493951       2.07917022      -2.89274564 
O       4.44952995       7.23468001       9.25282998       2.74556223       0.09274076      -3.42461663 
O       3.58759998       5.01533997       3.87614004       0.70793872      -2.60017045       0.57097794 
O       2.88974998       8.97303995       4.05023002       2.17471236       3.17836812       1.53391971 
O       2.33618998       8.56058002       9.17252004      -1.81687830      -0.08324768       1.25187093 
O       4.89303996       2.85846996       6.90619005       0.29202418       2.24886812      -3.17749220 
O       5.51408997       4.09729998       9.55812995      -0.30949789       1.26893896      -0.95060157 
O       7.01914001       4.76339995       6.96932002      -0.99428115       0.91621919       0.36406181 
O       6.96067005       5.40381996       4.26813002       2.23700216       0.29125001       0.71505123 
O      10.95970003       4.68183000       1.16709005       0.30816634       0.00392857      -1.19761153 
O       5.46362005       3.38367995       0.86699702      -5.36334807       1.78622726       2.69226876 
O      10.59639996       1.35509998       8.05551004       0.85965365      -0.69889257       2.37136544 
O       6.00216005       7.32784005       6.87343997      -1.93526194      -3.09618793       0.83909522 
O       0.09542619       1.83888005       0.41129997      -2.24292492      -0.75395404      -1.14962328 
O       7.62678997       9.31796995       1.49086995      -1.19459512       1.50642470       0.59504508 
O       3.32559002       1.32152001       0.80542298       0.36970381      -0.77637878       1.54767737 
O       3.74317999       1.91679997       9.46441002       0.21592915       1.02769436       1.36751501 
O       8.90734006      10.38899995      10.30309997       0.85047146       2.02775698      -1.07758553 
O       9.23752996      10.95980006       3.90658999      -0.52754663      -1.14394323       2.04013680 
O       1.20368999       3.19781997       3.62977001      -1.33661090       1.74838210       0.64728699 
O       6.99814002       9.42099999       7.00171999       1.33676965       0.30996674      -0.70120126 
O       3.22708005       5.35495995       6.34849995       2.20775315       0.35707379       2.10586262 
O       1.46834002       7.31183997       5.84862005       1.27566934      -0.83771129      -1.05556418 
O       3.54237997       5.29344000       1.13061005       0.79696855       1.28422561       0.39232826 
O       9.58778001      11.52823203       1.19502003      -1.70798683       2.37434913       1.06950090 
108
Lattice="11.54631414 0.0 0.0 0.0 11.54631414 0.0 0.0 0.0 11.20169524" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.1235402142063263 0.018411144088016394 -0.008823945042301794 0.018411144088016394 0.13008719109627892 0.005910088811102442 -0.008823945042301794 0.005910088811102442 0.13952616602180792" pbc="T T T" energy=-1031.56296089 free_energy=-1031.56296089 config_type=crystal 
Hf       1.40940996       1.43775004       2.55159002      -0.92882794      -1.55914094      -0.31737250 
Hf      10.93469999       7.17296003      10.88220004       0.24168418       1.60338172      -0.94279556 
Hf       1.19486004       9.31375994       8.01137996      -0.19459165      -0.80381205      -1.71696109 
Hf       7.05419003       3.56898002      10.98182624       1.99120526      -0.72125700      -2.01638331 
Hf       9.22647004       5.29714999       2.40572995      -0.53177195       0.30752390       0.65807294 
Hf       3.46457005       7.16111005       4.87072000       0.13129113       1.06803357       1.29908557 
Hf       3.24546996      11.03770004      10.66439999      -0.66946571      -1.74037515       0.06630132 
Hf       7.33058004      11.34113013       5.27625005      -0.31591029      -1.83444219      -0.70250783 
Hf       5.30694000       1.45547005       2.10414996       2.94853385       0.64905152       2.30975845 
Hf       5.29876001       1.64373005       7.80090000       0.01939277      -0.53528455       1.51458401 
Hf       1.65596002       9.25013998       2.21008999       1.33433437       0.78149517      -0.09978211 
Hf       3.68903998      11.05539996       4.77436000      -2.14031162      -2.30582881       0.00709451 
Hf       3.28933995       3.35668995      10.68570001       1.82429951       2.09868389       1.06090507 
Hf       6.88301003      11.26504119      10.42780002       1.24098949      -1.00229022       0.00364887 
Hf       8.64878000       0.95961197       1.91295998       3.24719266      -3.32415485       3.11285693 
Hf       5.09404998       5.69668999       7.97819998       1.95916428      -0.00387699      -0.60522979 
Hf       3.64638004       3.54250998       5.11947000      -0.90615554      -0.18577206       0.02874845 
Hf      10.91149998      10.97519996       5.13758001      -0.46481627      -0.05362645      -0.49172244 
Hf       9.44094005       1.44068996       8.05005997      -0.58833883      -1.46678675      -0.47531919 
Hf       5.68604994       9.48787998       2.10438004      -0.45840048       0.83468041       0.10921830 
Hf       3.44670998       7.16404004      10.62979997       0.28604712       1.83962862       2.57791230 
Hf       4.98998998       5.26560997       2.21555003       1.56620365       1.02397801       0.10129055 
Hf       9.15853003       5.04168999       8.14729999       0.10679821       4.67678763      -1.17960364 
Hf      11.11379995       7.32821997       4.91490005      -1.26142173       2.15982198       0.38057924 
Hf       4.96955000       9.43869002       7.30990998       2.34332873       0.60252625      -0.75579307 
Hf       7.22641000       3.23141002       5.10976004       1.25205533       1.39643709      -2.32628433 
Hf       7.25525004       7.41004004       5.35036002      -1.09779798      -2.17593179       0.47962020 
Hf      11.14829999      10.96609996      10.73870005      -1.08774302      -1.55747612       0.75664486 
Hf      10.89170002       3.56643994       4.99905995      -0.38514723       0.76034383      -0.09315257 
Hf      10.84780001       3.55162995      10.75800001      -1.69536182       0.08214624       0.69250381 
Hf       1.46479001       5.78412999       7.71581998      -1.54572015      -1.64356006      -0.93629546 
Hf       8.96086994       9.35000001       8.20012001       1.34039353       0.31509103      -0.18085122 
Hf       1.59878002       1.40900999       7.40142996      -0.65010795       0.97967599       0.00920926 
Hf       7.04201998       7.34552997      10.84290001       0.77055680      -1.99784035       1.48868902 
Hf       9.51023999       8.99584003       2.37169998      -1.43304930       1.83428942      -1.86436176 
Hf       1.52794996       5.11501001       2.25680005      -0.45454758       0.91486440       0.24157539 
O       5.39788997       3.65117996       3.64861998       0.59711940      -0.39120939      -0.84330606 
O       9.33252998       7.58708002       0.79815697       0.62203926      -1.15582584      -1.67763731 
O       0.96000005      11.06380002       6.58724000       0.55750803       0.92281975       0.23949579 
O       5.02322997      10.48390002       0.21083002       1.41154090       0.04359850       1.58378199 
O       2.96955000       2.00184002       3.68120997       0.89006451      -1.15551100       0.53654063 
O       9.11288999       6.80539005       9.13348995       0.97254951       0.67266741       0.97220882 
O      11.54359348       9.08611997       0.63957602       0.69184876      -0.87767800       1.16196467 
O       9.08172002       4.00926003       0.73983400       0.50104316       0.30976585       0.25870720 
O      11.14059998       5.45964000       3.78987000      -0.16977474      -1.41080391       1.73892307 
O       3.45375000       9.35286003       5.97754002       0.80509626       1.41023158      -2.91464461 
O       5.16307004       7.12983998       0.79800003      -2.05182881       0.90237566      -0.15935464 
O       3.56618004       9.50714004       8.55892006      -3.21432130      -0.47705083       2.12912909 
O      10.97749998       8.54271002       6.68230005       1.52307643       1.94795622       0.90112111 
O       6.99836002      11.17209995       1.56045003      -1.70115684      -1.32941914       1.20466984 
O       6.24366995       9.57281997       4.84383997       2.21076476      -0.36971733      -0.01142019 
O       3.27171000       5.00910998       9.15257003      -1.80812478       2.06216308       0.78167506 
O      11.50001423       5.28658004       9.17741001      -0.01365422      -1.87146293       2.39963516 
O      10.82850000       5.45931001       6.91089002       0.79443877       0.00438541      -2.37636571 
O       3.48578005       1.66917997       6.55565996      -1.09640028       0.81890921      -1.43803155 
O       9.21309005       3.35571001       3.45729996       0.88962437       1.58339662      -0.24406585 
O      10.81780003       1.60255000       6.23796006       0.80997211       0.15132277      -1.33159629 
O       9.14385004       8.14932998       5.34212005      -1.78086610      -1.10441327      -0.96199109 
O       9.13404999       3.56633995       9.46638003       1.92348616      -1.58952141      -1.07903322 
O       1.53431995       3.09541995       0.64200903       0.03585353       0.11714863      -0.70907970 
O       1.15534001       7.47647995       8.60780000       0.64610840       0.05055038       2.91690644 
O       1.34531002      10.69559996       9.59973005      -0.09310010       0.05082855      -0.57217465 
O      11.32655418       1.55476997       8.78012004       0.83337932       0.38280168      -0.15814403 
O       5.29183003       6.90868996       4.05258997      -0.28974238      -0.65355052      -1.28751749 
O      11.44666841       9.33506001       3.73379006      -1.85817443      -0.24958115       0.87664154 
O       1.82587004       6.69335997       0.32832404      -0.93420653       0.83846829       0.12843333 
O       7.13279999       6.00732002       1.36967003       1.12865944      -2.61133992       1.67260579 
O       1.57322999       3.66096996       6.52743998      -0.99530401      -1.96037012       0.02892726 
O       5.17199996       0.08318854       3.72795005       0.71496255       0.91716972      -3.11728006 
O       7.19142005       5.20141003      10.03850000      -0.68111783       1.24477822      -0.57688997 
O      10.16989997       7.32729003       3.04998996      -0.96598697      -1.16691408       0.16370557 
O       5.57515995      11.03370005       9.08711001      -1.17268101       2.14421118      -1.41238242 
O       9.08409994       3.55606004       6.00634003      -1.74796691      -0.18765449       1.76438639 
O       2.95097995       9.12402006       0.28573699      -0.34223823      -1.14164802      -1.22272734 
O       7.66277996       9.26779002      10.43369996      -1.06243227      -0.13311036      -0.97346816 
O       5.05004998      11.33089998       6.28268999       1.36631065       0.87559573       1.43548424 
O       7.34022998       1.16937998       6.97588002      -0.78373477       1.37191189      -2.08774557 
O       9.31622000      10.97919995       6.57134995       0.41165057      -0.05244594      -1.20225630 
O       8.99599002      11.30751119       9.13489005       0.58348324       0.74034312       0.22436226 
O       1.95986998       7.26738002       3.44471003      -1.26768844      -0.31114112      -0.80419232 
O       1.79253998      10.73530000       3.57947001       0.90891758       3.36458255       1.32384428 
O       3.32716995       1.15552002       8.91319002      -1.26963146       0.70310204       1.56336236 
O       1.67868998      11.23091618       1.04466002      -0.65307661       1.47201157      -0.65287141 
O      11.06581509       0.83552605       3.06503003       1.39001821       0.65529542       1.24084342 
O       5.38891005       7.12746005       9.50754996      -1.15014809      -0.73579209      -1.66421332 
O       3.25650997       5.01261995       3.47216998       0.15270255       0.38395439       0.50773839 
O       3.62917003       9.30950998       2.87177995       2.06255599       0.03158941       0.44515108 
O      10.59290000       9.23916995       9.48104002       1.30830282       0.80750028       0.18580491 
O       5.41106997       3.49939997       6.10200004       2.12302748      -1.61371634       1.27640991 
O       5.04795998       3.51830001       8.95129998       0.44404693      -1.58868384      -0.14127266 
O       7.30297003       6.15742995       7.31692000      -0.52163737      -1.36317033      -0.67941785 
O       7.86459995       5.62573997       4.59001000      -0.31487330      -0.28517739      -1.24186328 
O      11.38007112       5.54904000       0.89101600      -1.78949246      -2.00164883       0.88837842 
O       5.36849998       3.55641001       0.93680998      -0.20853468      -0.38422303      -0.34810080 
O       7.15817994       1.82181001       9.49176005      -0.90854320      -0.20610254       1.03599971 
O       5.15019001       7.41238001       6.51035997      -0.16344042      -0.19885420       1.72180891 
O      10.50659996       1.66981998       0.13150096       0.05887508      -0.43518363       0.44335826 
O       8.81569005      10.89950001       3.70031995       0.50599950      -0.20499550       0.71053904 
O       7.19567002       1.64482995       0.94584505      -1.48104858       3.69755651      -1.51376719 
O       3.85478004       1.36239995       0.93958296      -1.58454638       0.09779281      -2.49648910 
O       7.35967005       8.54751998       1.97250002       0.31501431       0.45293394       0.98507169 
O       7.31612001       1.50760004       3.79200997       0.03574546       0.56180883       1.79044604 
O       1.03130004       3.54551006       3.59563003      -0.82046476      -1.27960995      -1.78256108 
O       7.14247996       9.71569995       7.77856998      -0.97900353      -1.57748719      -2.06636376 
O       3.52279996       5.17969996       6.45071004       0.29605146       2.13913693      -0.30301457 
O       1.96044995       7.71949996       6.35439003      -0.97029253      -3.45648361      -0.66542804 
O       3.35997995       5.00464999       0.84243805       0.58866113      -1.14257012       0.15716897 
O       9.56909998      10.66280000       0.87176196      -0.05924808       1.72641889       1.12755375 
108
Lattice="11.55536666 0.0 0.0 0.0 11.55536666 0.0 0.0 0.0 11.21047757" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.10043209465237006 0.00444459676764246 -0.003762841556750296 0.00444459676764246 0.10148527822657391 -0.003950275411483523 -0.003762841556750296 -0.003950275411483523 0.11904366972647813" pbc="T T T" energy=-1021.10172858 free_energy=-1021.10175249 config_type=crystal 
Hf       1.86859003       1.09845997       2.49117999      -5.04188357       4.07218979      -1.65403941 
Hf      11.20249997       7.09394995      11.04954960       1.80702210      -3.49113011      -0.51342340 
Hf       1.06465995       9.45579005       8.14794000       3.57005448      -1.01173296      -1.83803277 
Hf       7.25405995       3.29127996      10.32939995      -1.80370665      -1.23509055      -0.77804740 
Hf       9.26895999       5.47455001       2.40585996      -2.20092617      -2.11911874       4.38883253 
Hf       3.09932001       7.32273003       5.24818003       1.97860600       0.81771492       0.33927755 
Hf       3.46736006      11.30437971      10.43879997       4.73221976      -1.53179638       1.90636656 
Hf       7.44448997      10.86680004       5.23487005      -2.38958762       1.53382369      -0.44275223 
Hf       4.96613005       1.44983002       2.08191001       4.68819911      -0.68589855      -1.68304812 
Hf       5.02856000       1.40637999       7.38341996       1.41663501       3.02131287       0.47893977 
Hf       1.83556006       9.11338997       2.57970005      -0.14031412       0.35743124       1.53930390 
Hf       3.27208996      11.37300171       5.16568997       0.22547369      -2.84659887      -0.20129502 
Hf       3.16039001       3.75947002      10.46680005       3.83004430       3.19911326       0.31376986 
Hf       7.55493004      11.13979997      10.47039996      -3.34370534       2.15041982      -0.44288418 
Hf       9.25156004       1.24267002       2.70673001       0.58060285       4.11144192      -3.71580055 
Hf       5.43796999       5.32370001       7.58035005       0.28496071       0.98920346       4.67146382 
Hf       3.26758002       3.84525995       4.97701001      -4.55239798      -0.24573605       1.18867268 
Hf      10.66579998      10.83179999       4.99817001       1.80893329       0.04274492       0.08072634 
Hf       9.32061005       1.50693005       7.08784003      -0.86941510       1.07224702      -0.77745179 
Hf       5.51513003       9.39191002       2.29880002       0.54907315       0.55699616       1.69576771 
Hf       3.17452996       7.66570995      10.89150002       1.51645057      -4.03823721      -1.67615985 
Hf       5.41059995       5.17707997       2.01014995      -0.36063491       0.00198798      -1.34687868 
Hf       8.99621001       5.70499002       8.25926005      -2.16150026      -5.37631133      -3.28132382 
Hf      10.74300000       7.55339005       5.80073998       2.10598994      -0.48006322      -0.42975768 
Hf       5.24442997       9.07196999       7.78427996      -1.44193274      -3.51426566       0.45023576 
Hf       7.11135002       3.63626000       4.76002999       0.71102293      -3.36255891      -0.36087519 
Hf       7.25603996       7.14099000       4.96904004      -2.89313731       0.00094822      -1.55978681 
Hf      11.01159999      10.82870003      10.88689958       1.24686567       2.51245090       2.76674898 
Hf      10.83880000       3.83797995       5.16153997       4.34260872      -0.10094242       1.81831441 
Hf      10.83339995       3.19182003      10.28369999       3.64009688      -1.19558351       1.28230368 
Hf       1.34388001       5.89018996       8.03735997       1.44094029      -2.57915433       1.46585324 
Hf       9.28761994       9.12057995       8.34535999      -2.17307916      -0.82612770      -0.70142969 
Hf       1.35883000       1.18486003       8.49536997      -2.09385670       2.03072290      -2.84710440 
Hf       7.05656995       7.52231998      10.96902160      -1.35238967      -2.44415906      -1.01196935 
Hf       9.18090001       9.01093004       2.19711997      -1.64682543       0.06598955       1.34625954 
Hf       1.62281998       5.27509999       2.45129995      -2.50917641      -1.20420887      -0.33701391 
O       5.01485996       3.67178998       3.51311995      -0.86657874      -0.01088123       0.71330474 
O       8.78847005       7.12261003       1.49368000      -0.27518173       4.56586136      -1.97098279 
O       1.24345995      11.22228264       7.12508998       1.38026929       1.91010109       1.09512567 
O       5.14164001      10.80060004       0.86007199      -1.43048341       0.77444978      -0.45102823 
O       3.56767000       0.63374704       3.29121999      -0.61762928       0.30370109       2.73821965 
O      11.21499998       5.45230004       9.73380006       0.49949690       1.14561730       0.36743028 
O      11.06140004       8.91202003       1.27772999      -0.49372515       0.20517059      -0.47417212 
O       9.31317995       3.92001000       9.65422002      -5.49429683       1.48767939      -2.36483033 
O      11.39747864       5.19463997       3.70918997       0.93996840       0.60650299      -0.02022822 
O       3.25378002       9.34253001       6.73214996       1.08503908       0.49472962      -1.38176291 
O       5.43987998       7.48718000       0.92377205      -0.03330990       0.11209619      -1.15604006 
O       9.50582005       7.03400995       9.37734005      -0.65065260       5.61506032       4.08008876 
O      11.10734765       9.58264995       6.70401996      -0.12297240      -1.74426811       1.71782847 
O       7.32592000       8.87420995       3.30387998       2.56346737       1.84464111       0.74943579 
O       5.21804005      11.26190668       5.95150006      -1.32935582       1.61189395       1.69555759 
O       1.45416998       3.90528003       9.48341998      -0.78683138      -3.28819709      -0.04345016 
O       3.32994005       5.38793006       8.75961000      -1.29024940       0.59619117      -1.00760684 
O      11.19090000       5.90980000       6.76189999      -1.32575528      -3.48611151       0.18779307 
O       3.36247003       2.11578001       6.01519003       1.23043197      -4.43924914       0.45418990 
O       9.32926999       3.74878003       3.91973003      -3.49509955      -1.40070327      -2.88674831 
O      10.50900001       1.31189996       5.22056997      -1.23142942      -0.49413229       0.76798572 
O       9.12314998       7.46726999       6.98663004      -0.04640721       1.72297683      -0.18770636 
O       7.02903005       5.20788000       9.09363997       2.66883934      -0.14041258       1.21779044 
O       1.57810002       3.71451999       1.29600004       0.85302920       0.72281860      -3.15262777 
O       1.58017004       7.19915994       9.81751004      -1.71554932       0.82537410      -0.06741671 
O       1.48563998      11.21590003       9.79814999       1.44260228      -2.21156290       0.25543349 
O      11.05420001       2.21984001       7.58124005       1.32728832      -0.75482711       1.72084505 
O       5.66707004       7.27724995       3.60229998      -0.40043257       0.20394684      -0.13964975 
O      10.24440003       8.76706004       4.37495995      -0.86312200       3.71932873      -3.40538143 
O       1.51382005       6.98484995       1.23046998      -0.41462331       1.45725127       0.29077386 
O       9.73045996       2.11163001       0.24295403       0.38651761       0.99699728       0.95287810 
O       1.29170002       3.63972002       5.96367004       0.03245557      -0.17581020      -1.19859138 
O       5.73053998      11.24330000       3.19150996       1.71670626      -1.22299433       0.34185607 
O       7.40173996       5.16148000       1.02107003      -1.54382024      -0.99176071       0.22572747 
O       9.10792001       6.59979001       4.15771995      -0.10541186       0.64699429       1.03948181 
O       3.38635000       9.25669004       9.20002998       0.00677720       0.44387359       1.47797283 
O       9.28679998       3.71261000       6.45447999      -1.49117111      -1.11204883       0.89940014 
O       2.90086006       9.21455005       0.67796596      -0.90328128       1.97876143       2.71494050 
O       7.30817004       9.16312000       9.54366004       1.81669410      -0.46431421      -3.05225499 
O       5.38888996      11.16780001       9.66297002       0.15145378      -0.37634070      -2.00003213 
O       7.46934001       1.39217001       5.94485000       0.55283300      -1.60943868       1.28812410 
O       9.25936002      11.18180003       1.06315999       0.41694447      -2.15572771      -2.07516130 
O       9.00506003      11.20990002       3.63500004      -0.31942154      -4.24813759       3.09971785 
O       1.44383001       7.93974004       4.41627997      -0.87458629       1.36453968      -2.51549907 
O       1.17717998      10.64170000       4.27778002       1.28067295       1.10087372      -0.92861598 
O       3.70677004       1.61822996       9.08334001      -2.29282110      -1.82565555      -1.09505499 
O       1.07643995      11.25342065       1.42571995      -0.46034575      -3.04026538      -1.81969480 
O      11.13360005       1.23202996       2.52361998      -0.19489124       0.27675073       1.31818425 
O       5.48683995       7.22802005       8.83049004      -0.04963080       2.64157654      -0.04575312 
O       3.20530006       6.10834003       3.61392995      -0.15926881      -2.64931273      -0.79383802 
O       3.82365997       9.50742000       3.63304998      -2.83836236      -0.44603997      -1.02033297 
O      11.10239998       9.00004997       9.79414000      -0.62045630       2.33767859      -1.29653313 
O       5.38805000       3.40811997       6.56192995       0.64518792       0.46123191      -0.82396694 
O       5.09385996       3.90761005       9.35417999       0.67156122      -1.75174451       0.51066368 
O       7.29411004       5.65094996       6.83625000       0.43028166       0.61977969      -2.82549451 
O       6.95294998       5.37921997       3.89180002       0.31057224      -2.23697994      -0.10091358 
O      10.70680004       5.47718001       1.29095006       3.14218310       1.06591632      -3.85488700 
O       4.85622003       3.36912996       0.81583096       0.97684965      -0.14388107       1.95103778 
O       7.33358999       1.47039002       8.89916005       0.13404598       1.49550346       0.08807619 
O       5.13343998       7.14504004       6.17895000      -0.74099009      -0.37437753       0.99690268 
O      11.29006861       0.97246996       9.63128002      -1.32352688       0.47929527       1.96789391 
O       8.97407004      11.02250006       8.86813001       1.08953200      -0.18795675       2.45945485 
O       6.99908998       1.63567001       0.37536995      -0.23625172      -0.64117626      -0.43033319 
O       3.29390996       1.28140003       0.78879196      -0.77198974      -0.63800160      -0.04805361 
O       7.27748996       9.21650995       0.49533002       2.10091256       2.94641568       3.87738592 
O       6.97887005       1.74686996       3.60342002       1.13826646       3.23396820      -1.03644281 
O       1.52723999       3.05612998       3.39655005       3.24387556      -0.98759766       2.28057373 
O       7.00427995       9.19025997       6.46476000      -0.77969026       0.88965997      -0.53475938 
O       2.38569003       5.72481002       6.08876002       2.05281482      -0.24398540       0.61826481 
O       1.05931004       7.68570998       7.14307001       0.42888258       1.89353106       1.16895299 
O       3.71964006       5.54601995       0.52317303      -0.26595573       0.72374435       0.02857577 
O       9.14437003      10.68669994       6.44245003      -1.36222475       1.72338428      -1.28578512 
108
Lattice="11.56445308 0.0 0.0 0.0 11.56445308 0.0 0.0 0.0 11.21929278" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.094772672999174 0.0006063582612476978 -0.012076449517993117 0.0006063582612476978 0.10487431059011494 0.005875474131746862 -0.012076449517993117 0.005875474131746862 0.11864959955231423" pbc="T T T" energy=-1025.91093457 free_energy=-1025.91093457 config_type=crystal 
Hf       2.12128995       1.47742006       2.03100995      -0.98631259      -0.22739806      -0.43771206 
Hf      10.58940003       7.00686997      10.86969995       1.20123261       1.38965286       1.21941164 
Hf       1.48393998       9.55134003       8.21526005      -2.47817342      -2.19787999       0.02173199 
Hf       7.28710003       3.08249005      10.82940003      -0.10999131      -0.56320291      -0.34897556 
Hf       9.57620002       5.24023000       2.25902996      -3.97677526       0.92169826      -1.11785875 
Hf       3.28634996       7.55810004       5.24520001      -1.73965396      -1.44464242      -2.12852576 
Hf       3.86074004      11.33328313      10.74869999      -0.29549126      -0.47771098       2.10704193 
Hf       7.00442999      11.09650003       4.91247999       2.74789209      -0.82406527      -0.26948209 
Hf       5.35581994       0.98234998       2.42667996       1.29142480       0.47759026      -0.17803350 
Hf       5.55321001       1.82703001       8.06225997       1.79782563       0.54260510       0.14225077 
Hf       0.98204399       8.86674002       2.33778995       1.55912860       1.03121017       0.55779310 
Hf       3.28386002      10.95170001       5.27993998       0.45027069       0.21889933      -0.98764465 
Hf       3.46054000       4.00502001      10.98499580       0.56313742       0.11220038      -1.90713529 
Hf       7.59942006      10.89100005      10.78190001       1.90482509      -0.73899362       1.37429253 
Hf       9.55552000       1.55018996       2.29248005       0.56577227      -3.19350173       0.23159961 
Hf       5.40972996       5.96606006       7.71784002      -4.69946454      -1.40209401       0.67294007 
Hf       3.48361999       3.48743001       5.41885996      -4.47130103       0.39177525       0.60719028 
Hf      10.79089999      10.86850001       4.79029998      -1.04026164      -0.74304294      -0.62831940 
Hf       8.93633999       1.28846996       7.26885997       1.67253760       1.37467127       0.81050372 
Hf       5.18536002       9.13778004       2.56941999      -0.70510445      -0.97072466      -0.84248141 
Hf       2.94496997       7.43688005      10.65410004       0.14602906       0.30082522       0.71639745 
Hf       5.55747995       5.78151995       2.17777995       0.07169964       0.78972009       1.89276636 
Hf       8.52466998       5.33440003       7.65626002       6.78230940      -2.92200252       0.11774764 
Hf      10.84379996       7.36189001       5.08913998       1.37560868      -0.07968508      -0.00057657 
Hf       5.67551000       9.44212002       7.83376999       2.50060777       1.55811064       0.16924214 
Hf       7.19771005       3.25533005       4.70597005      -0.29588930      -0.55809735      -0.86813859 
Hf       7.13172004       6.88952998       5.19459000       3.70794854      -0.04684172      -3.88539138 
Hf      11.17570000      11.09489997      10.72470002      -1.86107986       1.78528989      -0.57383419 
Hf      11.15849995       3.39136005       4.93731995       1.64972082      -1.00304739       1.25383765 
Hf      10.48020003       3.43066000      10.53050001       2.75659125      -1.93058328      -2.78539966 
Hf       0.78578897       5.42320000       7.72448005      -1.44305719       1.54324426      -1.73702183 
Hf       9.01165997       9.10585001       8.28424995       1.58770080      -1.94159236      -0.30501405 
Hf       1.62403998       1.38141000       8.00466001      -1.54938839       2.72179738      -1.43064709 
Hf       6.89601995       7.19303997      10.63050003       0.12003746       1.83984102       0.14952077 
Hf       9.03095005       9.34010003       2.16668003       0.43501159       1.16427892       1.48227737 
Hf       1.86168000       5.19738994       2.45820999      -1.39792091      -0.29372870       1.07234040 
O       5.62475003       3.14937006       3.16651996       1.31511637      -0.52615833       1.79503702 
O       7.11886997       8.97448996       9.19692999       0.21344086      -0.83352633       1.75467005 
O       0.90054802      10.30579998       3.67785998       2.29155471       2.13461006       2.31189281 
O       4.93180002      10.55320006       1.26062004      -0.47925336       3.23062399      -1.73768088 
O       3.55624996       1.21352999       3.66925994      -2.07028577       0.68124756      -1.16086697 
O      11.20750005       8.94157001       9.07972002       0.04623488       0.60031099      -0.74894053 
O      10.64749996       8.96215000       3.38138994       0.39034186      -2.33545724      -0.66247652 
O       6.94731998       5.79956998       8.77337005      -0.59555876       0.66529918       1.05754974 
O       7.10551002       4.98126003       6.13068000      -1.44779072       1.73690092      -0.59224634 
O       1.23342999      10.82739995       6.76105997       2.32363828       0.96537454      -2.86258887 
O       5.51137005       7.60195996       1.13371997       2.05271478      -2.85937974      -1.06296565 
O       9.22882004       6.71727999       6.46469999      -2.30145164       0.08830270       2.33632604 
O       3.68985998       9.22168998       3.85955003      -2.31517341       0.31881090       3.66313220 
O       6.96838000       9.51898003       3.17194998       1.94035154      -0.42750288       2.60443529 
O       4.93663998      10.72200002       6.38086001       0.60548533      -0.01902622       0.63066128 
O      10.47550000       5.18362003       8.39659994       1.59858072       1.75178672       0.37430097 
O       3.17040996       5.36704001       9.53734005       0.20217813      -1.30413514       1.22056029 
O      11.37623906       5.33057000       5.45101995       0.08555058      -2.93451080       1.70234224 
O       3.21036006       1.44237005       6.52487994       0.85323638      -0.75182291      -0.25161821 
O       9.39715997       3.10426002       3.69779004      -1.88943693       0.76192443       0.69992023 
O       8.85051001       4.19428998       9.88995995      -2.32171002      -0.95538987      -0.25809489 
O      10.41169995       9.09815005       5.87904999      -0.60647525       2.58458901       1.70407063 
O       9.08351003       7.08790001       1.29689000       1.44366017      -0.52875874      -1.06194970 
O       1.99264003       3.42568994       1.15279995       2.36583735       2.17690248      -2.87579263 
O       1.19744002       7.07311000       9.31578000       1.94705152      -0.44543592       2.54062685 
O       0.78729305      11.40173810       8.88422003       0.48628299      -0.60959768       3.35283026 
O       0.00970350       1.28918002       0.42282396      -1.29905155       0.96892872       0.69678083 
O       5.38261004       7.34084999       3.74553004       0.96894866      -2.17196221       0.27743818 
O       9.12130000       6.88541997       4.20411000      -2.56288059      -0.34010801      -1.71604291 
O       3.07217005       9.71357000       9.71264004      -0.68777671      -1.29460287      -0.67814061 
O      10.87280003       5.11852003       0.45430394      -0.42202639       0.92547595      -1.28974942 
O      11.01550006       1.59667004       6.12381996      -0.74878985      -0.11971579      -0.04479132 
O       5.21871005      11.17379996       3.89810996      -0.68322037      -0.39610660       0.55037999 
O       9.23028005       3.23448998       0.99153305      -0.43636810      -1.29563741       1.23547307 
O      11.21077209       9.33938003       0.82911998      -1.38028105       1.40323744      -1.50111837 
O       3.09337995       8.44049001       1.30733998      -1.63741069      -0.96990842      -2.26148376 
O       9.20717000       3.48200999       6.87610002      -1.50831758      -0.68583510      -0.82677818 
O       3.15219005       8.90944003       6.68892003      -0.39628420       0.02490072       0.17922487 
O       7.31622996      11.31510000       7.39146003      -1.45343753      -1.13633489       1.51852267 
O       5.88533995      10.82749998       9.84504004      -4.91797348       1.74416020      -1.46600846 
O       7.09527004       1.71897003       6.15754998      -2.01187746       2.71695248      -0.57727000 
O       9.20159003      11.35103607       0.80836699       0.59395188       0.64239438       1.99678678 
O       9.00938003      10.65950005       3.72619000       0.40082485      -0.78896464      -2.11988756 
O      11.13498109       5.15516998       3.11206005       3.85176442      -0.44106869       0.35064132 
O       1.98904996      11.33638807       1.01497004       0.88110784      -0.56690396      -1.10172945 
O       3.23853003       1.41875000       9.36607003       0.95829462      -0.87864184      -0.97178848 
O       1.20910994       2.97582000       3.16823999      -0.60828814       1.95516933       3.30582647 
O       0.38111997       3.15190001       8.97250004       1.77123436      -0.53668097       0.75269580 
O       5.02322997       7.33078996       9.49758998      -0.23475737      -0.06365940      -1.09941817 
O       3.57802004       5.32474001       3.51792997      -0.81786524      -1.31606257      -0.47863548 
O       1.41828997       7.33440998       4.03712002       1.11572439       0.14030086      -0.08490044 
O       9.36566996      10.20710003       9.82822995      -2.10196630       0.98246004       0.46515102 
O       5.12128994       3.44079000       6.41379997       0.44042002      -0.26455993       1.94103369 
O       5.39973006       3.41947995       9.72182000      -0.10180059      -1.38749406      -0.54381572 
O       8.75949001       7.31743995       9.78484000       1.85447637      -0.11425050       0.22865764 
O       7.28466005       5.42616998       3.36702005      -1.10663151      -0.71480039       0.56424987 
O       0.59781804       7.22798000       1.37102002       0.26171146      -4.39684267      -2.17093663 
O       6.85279006       4.89531001       0.55416698      -1.84943298       1.88933894       0.35112163 
O       7.63178006       1.75434997       9.24068994      -3.22086430       0.81590120      -1.30215951 
O       5.24949995       7.23171995       6.17827998       1.06972992      -0.14155829       2.49828907 
O      11.07319997       0.88799295       3.39055005      -1.52964838       1.33177939      -1.42710952 
O      10.03150006       1.06116000       9.29996001      -0.24585108       0.19123485      -0.52383198 
O       6.77972006       1.33150996       0.78674404       0.57032935       0.71281077      -0.97231161 
O       3.99054999       1.45250999       0.68323698      -0.43732769       1.82039393       2.00914035 
O       7.46746005       9.26052006       0.88923598      -0.05769387       0.44137837      -4.05566822 
O       7.33033998       0.80968102       3.42750999      -0.48897599       3.28736681      -0.77337795 
O       1.50580003       3.29573001       6.39227004       1.17694026       0.72879851      -0.51414001 
O       7.43623996       8.79199006       6.90243001      -2.11415976      -0.98709757      -2.24539408 
O       2.94693997       5.55829004       6.19476000       1.71385926      -0.01859086       0.16744685 
O       0.44729003       7.25211999       6.82855995       1.57767704      -0.68930849       1.12527122 
O       3.65537999       5.72348004       0.93176799      -0.84922923      -1.85985089      -0.79592816 
O       8.81510000       0.10735802       5.59246000       2.73162600       1.08300710       2.68845636 
108
Lattice="11.57356336 0.0 0.0 0.0 11.57356336 0.0 0.0 0.0 11.22813116" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.10694865894026159 0.009553579206740102 -0.0026230141580156057 0.009553579206740102 0.10397576702674603 -0.0008186320864831334 -0.0026230141580156057 -0.0008186320864831334 0.12360976105812368" pbc="T T T" energy=-1024.80363735 free_energy=-1024.80363735 config_type=crystal 
Hf       1.08465005       1.89028997       2.00965998       2.37794382      -5.25177300       2.32446484 
Hf      11.42961636       7.46360005      10.32840001       3.42590917      -1.45314830       1.96478967 
Hf       1.38658997       9.26503004       7.45349003       0.38868827      -1.81446044      -1.80839843 
Hf       6.86410995       3.39067005       0.25106898       2.85620947      -0.28564171      -4.16496741 
Hf       8.75027996       4.92790002       2.67073001      -0.48005792       1.17097981       2.55869633 
Hf       3.49379004       7.01203004       4.70700999      -0.44593358       0.53303782      -0.52152808 
Hf       3.51992997      11.04430003      10.78790005      -3.04855284      -0.23763581       0.89274491 
Hf       7.18518004      11.28481140       4.97466000      -0.71544101      -3.64007322       1.11338972 
Hf       5.30563000       1.29626004       2.28811999      -4.22439953      -0.15073215      -0.57185302 
Hf       4.97653005       1.61783000       8.10525003       0.14860680       1.29756416      -1.98296971 
Hf       1.45542999       9.12713995       2.01355996      -0.07484200       0.57609735       1.36240000 
Hf       3.20896002      11.08390001       4.66349997      -1.58627286      -0.98741478      -1.41221354 
Hf       3.59505004       3.20329001      10.59060001      -1.89617179       2.81658283      -0.13624852 
Hf       7.15492003      11.34970437      10.84109995       0.81994348      -3.90106497      -0.78810955 
Hf       8.85450001       1.38319000       2.06077998       3.82081813      -2.98881455       0.12674720 
Hf       5.42318002       5.53742995       7.66664004       0.73360073       1.07765089      -2.59470346 
Hf       3.25561999       3.12011000       5.20100004      -0.15692894       0.54223471      -1.64634339 
Hf      10.74030001      11.28631435       5.33861999       3.12758083      -0.46001446      -2.31656634 
Hf       8.90709005       1.37016002       8.21509001      -0.68154733       3.18465649      -0.48381909 
Hf       5.57493003       9.58427996       2.44545003       1.93324545      -6.76045282      -4.13698983 
Hf       3.77930001       7.10985999      10.63510001      -2.07972688      -0.13600761      -1.25223593 
Hf       4.63596996       5.35379002       1.97756998      -2.46700249      -0.00470380       1.94501464 
Hf       9.15934999       4.89633000       8.03534997      -1.38665398       2.47599879      -2.12315696 
Hf      10.76950000       7.26383004       5.07544000       0.90729569       0.32075223      -1.32066772 
Hf       5.21546997       9.78956998       7.86046004       0.58736854      -2.85280875      -0.57372497 
Hf       7.30163995       3.33592004       5.09123001       0.94968371       0.67207235       4.54482861 
Hf       7.39986004       7.33877002       4.95141002      -0.53652952       1.62413049       2.51199908 
Hf      11.24435231      11.31165432      10.29470001      -4.12240857      -2.23053454       4.41232795 
Hf      11.31763333       3.42255001       5.49072995       0.68094646      -0.82790184      -0.82674868 
Hf      10.88009998       3.52227003      10.36569998       3.58127423       2.85482311       2.61760517 
Hf       1.34634001       5.54688000       7.51540003       0.10527633       1.15907751       0.28667654 
Hf       9.16774996       9.02247003       8.16328004      -1.82002648      -0.48847782       0.27056956 
Hf       1.34443998       1.72495999       8.44098002       0.73227857       0.33887493      -3.38661602 
Hf       7.40880003       7.19590005      10.56820000      -1.01877930       1.56409003       1.52424465 
Hf       9.29737005       9.31288997       1.92361005       0.82891428      -0.57021759      -1.50837839 
Hf       0.68126195       5.75001999       2.03241997       2.74237751       1.62722647       1.29187072 
O       4.97032998       6.68260997       3.40524000       0.22533907      -0.11872867      -0.78609742 
O       6.62176000       4.62563998       1.74294999       2.50397728       0.70430272       1.52584915 
O       1.63969998      11.11580000       3.44038001       2.18801760       0.29132735       0.72567386 
O       5.08200005      11.49088703       0.63800902       1.70588287      -0.51479796       1.34266647 
O       4.08088994       1.47870998       3.87903996      -2.25788242       0.15922685       1.80488683 
O      11.25145338       9.76195002       8.46976996      -1.69946057      -1.00133307       0.59683207 
O       0.19444397       7.65283001       3.03920999      -0.67631309      -0.26114469      -1.07474066 
O       9.29020000       3.53498996       9.37668004      -0.34978806      -2.23401504      -0.35444669 
O       7.46707999       4.94439003       6.94178996      -3.73083482       1.11802509       1.79045232 
O       1.05417003      11.37059998       6.34550995       0.18295323      -2.58723780      -0.02050891 
O       7.31421000       5.28505000       4.50332001       1.40348290      -1.32573107      -3.09110301 
O       9.04392996       7.32552998       6.43889005       0.92792647       0.80170445       0.37263357 
O       3.36039998       9.00172997       3.80291997      -0.29366288       1.15271811       1.58675729 
O       9.11447998       7.22798996       3.71719004       0.44196599      -0.75456190       0.93808501 
O       4.82765005      11.23999995       6.39586003       1.29301245      -0.00256717       1.23531483 
O      11.02860002       5.50847996       8.79104003       1.84252231      -1.85567259      -0.67744846 
O       3.35831998       5.16172003       9.93656002       0.18997199       1.13280591      -0.39332375 
O      11.49313531       5.46402000       6.07745998      -1.18526443      -2.32175636      -0.24549112 
O       2.86977996       1.48051002       7.02482996       2.36246617       0.98506840       1.12303189 
O       9.02564998       3.10488000       3.93607999      -2.27431271       2.40819912      -2.57997332 
O       8.92688004       3.60962995       0.97225095      -0.25585879      -1.17003401       1.14731127 
O      11.26602739       9.13696000       5.33821005      -0.76560235       1.49029719       1.71124652 
O       7.96589999       7.39763999       1.56118002       0.76509328      -1.40775635      -2.97054950 
O       0.80083098       3.44873994       1.21465002      -0.60710779       3.65024336      -1.11658857 
O       1.30001995       7.73413996       0.60782399      -0.27043068       0.50029869       1.36264109 
O       1.30233998      11.54041448       9.50269998       3.44842514       1.21652762      -2.66212312 
O      11.13169999       1.10653994       0.91573202       0.00098566       0.89451210       0.63149283 
O       6.68050000       9.24762005       4.36241999      -0.89103654      -0.62174195      -3.14098074 
O      11.07350001       4.96064001       3.61223003      -1.63910455      -0.14833502      -1.72869562 
O       3.86270003       9.29894001       9.72501001       0.15803224       2.34937823      -0.06389969 
O      11.38824237       5.47452000       0.14936199      -1.32085774       1.01969899       0.15730791 
O      11.04519999       1.73434002       6.91512000      -0.03511385       0.32413880       0.35186504 
O       5.20488004      11.01330000       3.45554000      -1.38553986       4.62901763       1.91320886 
O       5.07311005       3.10582001       0.89265203      -1.47151351      -0.62236348      -0.24355328 
O      10.46740002       9.03550001       0.12951200       0.45504848       0.87171686       0.27321492 
O       4.00690999       8.70227004       1.37829004      -0.07171937       0.88038600      -1.08116919 
O       9.05350998       3.44020004       6.58821004       2.97031421      -0.84314748      -0.75652886 
O       3.36752999       8.88650994       6.81372998      -0.09179112       1.79552301       0.90223053 
O       7.22032004       9.23539003       9.37715005       2.38345668      -1.62507504      -1.77235897 
O       5.75301002      11.46105733       9.27030001      -2.15580846       0.32268644      -2.94123442 
O       7.16364002       1.78751996       6.58010996       0.56190871      -2.80961744       0.68758808 
O       9.01886001      11.38873135       0.56838001       0.48972137       0.92926529       0.47587686 
O      10.72200001      10.09839998       2.97837003      -0.69639563      -0.06806641      -0.46448280 
O       1.39658999       2.61869000       4.28600997      -1.26417919       0.17093338      -0.22904268 
O       1.58383995      10.76170000       0.60310997       0.84187246      -1.69217457      -0.13525453 
O       3.42238000       1.42548999       9.64572998       1.31200016      -0.57685822      -1.70417072 
O       3.49652001       4.12684000       3.31057001       2.31671166      -0.17860051       1.00492278 
O       1.54700002       3.52643004       9.55125996      -1.80270712      -2.85946813      -0.42200829 
O       5.12775000       7.26025995       8.83205998       0.63881714      -1.52288691      -0.63746552 
O       5.52466998       6.36213002      11.22718665       1.08940941       0.21894977       1.30516223 
O       0.93607096       7.40165000       6.74012003       0.43186653       1.15094445       0.11602235 
O       9.30050996      11.27651235       9.17665998      -1.14945107      -1.05222442      -1.22355891 
O       5.23203996       3.36146000       6.32118005      -2.06322198      -0.32030400      -0.42572347 
O       5.08632995       3.69901004       9.19616998       0.53469217      -3.17315660      -0.32153496 
O       9.72086005       7.40073997       9.50553003      -5.12964579       2.73613487      -2.93712334 
O       6.60024000       1.68627999       3.71706002       2.93482612       0.13227400       0.58567976 
O       2.05090001       6.29734005       3.55515003       1.78478734       0.19890073       1.45287562 
O       7.91431997       5.50527998       9.56727004      -1.90297841       1.56728384       1.75776321 
O       7.37017003       1.96076996       9.69246999       0.62154176      -1.09913171      -0.83244128 
O       5.77864003       6.78420005       6.00129003      -1.06610285      -0.54873890       1.19973837 
O      10.32370000       1.19701003       3.91954005      -0.07297984      -1.65636199      -0.02487743 
O      10.81850004       1.61433004       9.61080005       1.06339274       0.39224571      -1.06237044 
O       7.15510000       1.27080006       0.89586395      -1.08793563       4.39241470       3.33793803 
O       3.14561003       1.45852001       0.95343395      -1.83085106       1.24732739       0.75860598 
O       7.00171001       9.55529004       0.54478398      -1.22783998       0.53835740       0.83833506 
O       7.92298996      10.53429996       2.63024003      -1.31041718       3.36071166       3.10800116 
O       1.60708996       3.59634003       6.66186995      -1.36740804       0.87270340       0.10893878 
O       7.17830002       9.26613995       6.42157997      -0.53821108       1.25049948       3.97314178 
O       3.34477000       5.69311996       6.37393003      -0.52988496      -0.46777796       0.93677403 
O       1.61928005       7.59720005       9.33215006      -0.30026039       0.10730170      -1.64724401 
O       2.82891000       5.81876001       1.01116002       2.25486504      -0.56504784       0.91735481 
O       8.89908994      11.03769997       6.14466001       0.43750070       1.24839275      -0.48143799 
108
Lattice="11.58267887 0.0 0.0 0.0 11.58267887 0.0 0.0 0.0 11.2369746" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.08601067373033534 -0.0046751998080335495 -0.0009228977759403841 -0.0046751998080335495 0.10894313202051688 0.011866852314014244 -0.0009228977759403841 0.011866852314014244 0.11494815324295612" pbc="T T T" energy=-1016.14673955 free_energy=-1016.14673955 config_type=crystal 
Hf       1.26204000       1.75735994       2.03081999      -0.97720170      -1.30146276       1.21997713 
Hf      10.92539995       7.09688004      11.13787684       2.37296967       1.69701999      -0.77266271 
Hf       0.78861503       9.46871998       7.83225996      -1.29288494      -0.28486659       3.97307960 
Hf       7.42270995       3.88894999      11.03369559       0.99329409      -0.38554457      -2.39580642 
Hf       9.11733000       5.32706003       2.63249997       2.60488264      -1.97017299      -3.12460372 
Hf       2.89014999       7.27144005       4.59049998       0.42734135       4.18651272       2.90302296 
Hf       3.31390994      11.06889996      10.57059998      -0.88344308       4.91805305      -1.11288122 
Hf       7.55472006      11.36111682       5.15023998      -0.60346161      -2.38912427       1.20731343 
Hf       5.47330004       0.94730005       2.17035995      -1.43679093       2.49143768      -1.36297920 
Hf       5.52682997       1.42523995       8.18019995      -1.21576161       0.61321169       0.91197453 
Hf       1.60056997       9.45651994       1.97593995      -2.99164615      -0.73309226       0.41855397 
Hf       3.79720000      10.71459994       5.34545006      -1.56799740       1.36841367      -1.60022827 
Hf       2.86804005       3.29228995      10.50839996       1.34926710       0.75688909      -2.05096716 
Hf       7.07270004      10.99039998      10.85870005       1.48489358      -2.21124236       0.93146332 
Hf       9.16786997       1.46168994       2.65466996      -1.08205008      -2.78296378      -3.32477484 
Hf       4.90239999       4.89417999       7.31534002       1.14749779       2.62824691       1.28516217 
Hf       3.29841996       3.04481003       5.08736001      -3.12717372      -1.36476295      -0.89383027 
Hf      11.01299998      11.18710004       5.01318002      -0.89980213      -1.03463563      -1.02923121 
Hf       9.10053998       1.61706000       7.67086003      -1.71641424      -0.62149412       0.17637197 
Hf       5.33427002       9.10073005       2.48387997      -1.61364970       0.35246307      -1.04075906 
Hf       3.22425005       6.96529004      10.40610000      -4.50705063      -2.29322804       2.35320772 
Hf       5.30360997       5.36687004       1.99664003      -1.85105514      -1.95508654      -1.29357010 
Hf       9.07128004       5.28555003       8.04971002      -0.52969098       1.58123374       3.75876435 
Hf      10.97630003       7.50733995       5.10546997      -1.04324074       2.06914674      -0.80358663 
Hf       4.63983004       9.07632002       7.85508000       0.99125058       0.75532241       0.54713533 
Hf       6.96821999       3.16086001       4.70185998       1.01549288      -1.33471110       0.88198347 
Hf       7.12768001       6.76882997       4.76533000      -0.82544021       2.84608672       2.51110924 
Hf      10.43839996      11.17949995      10.45460002       1.14322537      -0.75737674       2.27480374 
Hf      10.91589995       3.58821998       5.00767997       0.78048836      -2.02643684       0.79088830 
Hf      11.08710006       3.59890998      10.61619996       1.28733529      -2.30452830       0.67401211 
Hf       1.41058994       5.81648995       7.49140004      -2.57354406      -0.84219360       2.85352068 
Hf       8.61571996       9.20574000       7.93978005      -0.36023488       0.67581242       0.69269750 
Hf       1.52877995       1.35834002       7.74918995      -2.53057049       0.57423949       4.52662811 
Hf       6.51984998       7.09278000       9.91559999       1.51953796       0.94797672      -0.11249755 
Hf       8.80390004       9.08270995       2.34055000       3.74317028       2.54464704      -2.64034083 
Hf       1.60389003       5.14768997       2.38151001       1.34410507       0.31310641      -0.78744842 
O       3.76792999       8.86490995       6.09324004       0.93449356      -0.67750666       1.65889528 
O       9.15564005       6.37544999       4.50808003       0.85276974       1.02320967      -0.80535516 
O       0.88493601      10.60470001       3.65798998      -0.49902722       0.31108585      -0.16363920 
O       5.17701002      10.84040000       1.10412995      -0.53077743      -0.97911835       0.28371868 
O       3.57529000       1.20176004       3.65477003       1.17738565       1.73464221       0.42476966 
O      10.42219997       9.47037005       9.20142002       0.69278250       0.12326626      -0.97123952 
O       0.81229894       7.46969995       3.33975999       0.94226825      -0.69780233       1.67941064 
O       9.50939001       4.27805005      10.01780005      -2.34569797      -0.38648666      -2.09404934 
O       7.31501999       5.97051004       6.48898999       0.90309438      -1.31460439       1.48468922 
O       0.97753096      11.22019998       6.53100998      -2.01789970      -2.25155269       0.33007812 
O       9.14501005      11.45441391       4.05424998      -1.85547763       2.19977992      -1.88589858 
O      11.10489997       5.21381004       6.25947995      -0.51989065       2.17378657      -0.84473418 
O       3.15178001       9.11122002       3.91202000       0.01369663       2.56129436      -1.85033943 
O      10.86649994       4.31579001       3.05857998       0.96317013       1.80174035       2.83922701 
O       4.92082004      11.15340000       7.12292998      -0.45594963      -0.19214655      -2.23920979 
O      11.11740000       6.06179997       9.19323996      -1.10734934      -1.95235160      -1.12483594 
O       7.10499996       8.91936001       6.25639001       0.62817757       0.46668309       0.54737403 
O       2.33877996       5.56428001       4.56893005      -3.54513103      -4.67579403      -1.29825126 
O       2.51636003       1.32751005       6.20191001       4.46705291       0.99901350      -3.86546394 
O       8.81222996       2.88266005       4.24556004      -0.34462738       1.91748861       1.35594444 
O       9.07680000       3.11797005       1.81861995      -1.84111421       3.30625683      -1.54141023 
O      10.34399997       8.79702005       6.82036006       2.07309220      -1.87159168      -1.85417839 
O      10.01949999       7.59065995       1.87219998      -2.27369616      -1.79682805       0.08354356 
O       1.33092995       3.59340995       0.90794204      -0.11809696      -2.79727168       0.84200730 
O       1.23961999       7.42114003       0.56266498       0.28768896      -0.22241417       0.07146569 
O       3.18522001       1.29935001       9.06790004       0.63907337      -0.68668158      -2.38109385 
O       1.24566997       3.49626996       6.66756001       0.99013406      -0.04911719      -0.78861912 
O       5.23091997      10.68239998       3.99756001       2.02996029      -0.36621268      -0.62783010 
O       1.53871001       2.92397999       3.75139003       0.20178027       1.14939873      -0.54753902 
O       1.06330000      11.13820005       9.24757005      -1.37959049       0.55433342       0.33768429 
O      10.94780004       5.37881005       0.75413797       1.51186698      -1.60796022       0.00228760 
O      10.50020004       1.36567000       0.18865903       2.14879579       2.35049697      -0.16493621 
O       6.91286996       1.30442994       3.63070998      -0.63563070       1.20103519       0.98221649 
O       5.55216001       3.25769005       1.44616998       1.15086197       1.96764306       0.96689603 
O      11.17659999       9.66226006       0.91713703       1.51600182       0.03411520      -0.79030190 
O       3.42841005       8.41270004       1.59289003       0.24839353       1.64143968      -0.74261295 
O       8.99684998       3.54843996       7.13026997       0.02895168       0.45550114      -1.36942109 
O       2.76299998       9.78421999       8.50339995       3.67950783      -1.29870910       0.13242771 
O       7.26812995       9.30654997       9.45300004      -1.70390222      -0.95494860      -2.53660101 
O       5.43861999      11.34022190       9.52924999      -0.41514032       1.02433078       0.98252853 
O      10.16880002       1.41423003       5.57496998       3.27255718       2.19806223       1.26761051 
O       9.00759002      11.07139997       1.15831004      -1.66266714      -0.98785422       0.62607828 
O       9.74759996       9.47404002       4.31205000       2.73469872      -3.92000013      -0.35131619 
O       4.93890998       5.21277003       5.30974996       0.85923182      -1.40237169       0.50082937 
O       1.82158995      11.45055490       0.95217605       1.31673994      -1.22939094       0.48360537 
O       4.97008998       3.62049002       9.05180004      -0.32307590      -2.12241996      -0.77847585 
O       5.36327003       7.25646005       3.11963001      -1.04921309      -3.24589479       0.65459845 
O       3.03690995       5.28662003       0.60333103       0.02486653       0.81340982       0.77314783 
O       5.31437005       7.13301997       7.99407003      -0.22712107      -0.02973703       1.80162443 
O       4.83282006       8.09078995      10.56580000      -1.74298880       1.20231822      -1.95011843 
O       1.18741002       7.84605999       6.11118998       0.13558465      -1.20513215       0.34415753 
O       8.61835004      11.26870001       9.59004000       0.32538388       0.86863602      -0.40730097 
O       4.88625999       2.92996001       6.55507003      -0.06078508      -1.05333013      -1.25689475 
O       8.52503002       5.29487999       0.68406398      -3.22060494       0.99317620       2.08476157 
O       8.40689006       7.00040003       9.18742999       2.23732331       2.34887355      -2.40957137 
O       7.21061998       1.30507000       6.45418998      -2.34019207       1.82891199      -0.20981069 
O       7.16130001       5.01525003       3.88769004      -0.09136876      -1.55990676      -3.57932371 
O       7.22011998       5.17758996       9.41672001      -0.90600981      -2.39476331      -0.15205284 
O       7.97564005       2.27697004       9.34590999      -2.77800589      -0.15980522      -0.44281540 
O       3.21574998       5.93085998       6.99962003       0.31145670       0.28899371      -0.80270072 
O      11.04970005       1.61994003       2.94589998       2.84342787      -0.70484893       0.04571190 
O      10.62189994       1.78468001       8.69338000       2.60746119      -0.71552381       0.49566142 
O       6.91733995       1.23000996       0.91671801       0.25896355      -1.21487672      -0.80590206 
O       3.68699000       1.44398999       0.01580222      -0.34014532       0.14468281       1.98665614 
O       7.23331994       8.87153999       0.44366003      -0.19018158       0.95035138       3.23949160 
O       3.77829996       4.75609998       2.98777996      -1.52944516      -0.74753586      -0.79988064 
O       1.23214001       2.91281000       9.39998995      -0.14795179       0.75341362       1.93669481 
O       7.26790003       8.48456999       3.32594997      -0.29977089       0.77981954       0.72684358 
O       2.69805995       5.12389000       9.33311995      -0.06360564       1.20140274      -0.31436465 
O       1.22636998       7.64897005       9.22745003       2.76337683       0.64709412      -2.06465778 
O       5.51825994       5.77466003       0.00337795       1.07647098      -0.03999339       1.07850211 
O       8.89294999      11.12350001       6.48931002       1.13794110      -1.23010021       3.21610507 
108
Lattice="11.59180283 0.0 0.0 0.0 11.59180283 0.0 0.0 0.0 11.24582624" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.1365974910560872 0.0010748430276932425 0.007358813495925904 0.0010748430276932425 0.11488966097139046 0.0033529728122718592 0.007358813495925904 0.0033529728122718592 0.13160804015771593" pbc="T T T" energy=-1023.84367004 free_energy=-1023.84367004 config_type=crystal 
Hf       1.37277003       1.44689996       2.19324999       0.45413853      -0.62802553       0.66561106 
Hf      10.67659997       6.87273005      10.77090004      -0.48052884       1.83012716      -0.58685446 
Hf       1.38475004       9.36437996       7.65116997      -0.53071266      -0.99630810       1.27913323 
Hf       7.27676002       3.55390996      10.88070001      -4.82074150      -2.41154924       1.44671478 
Hf       8.69714999       5.51512001       2.20049995       3.44229004       0.23011044      -1.08263803 
Hf       2.93628005       6.83490994       5.22122998      -1.90202257       2.85006020       1.44628481 
Hf       3.40306004      11.29750005      10.69759997      -0.77145974       0.33463739       1.64211800 
Hf       6.66665006      11.05570003       5.26597003      -0.76012582       1.75993627      -2.01631215 
Hf       5.37990998       1.27888002       2.74325996       0.53683951      -2.37722037      -0.16985856 
Hf       5.35186002       1.77833997       7.83226005      -0.05926173      -0.16058273       0.37333815 
Hf       1.31602004       8.92390003       2.23794000       1.28891836       2.18861858       0.99843819 
Hf       3.03258996      10.85630004       5.00618998       1.09847252       2.61540839      -4.55133316 
Hf       2.96926997       3.52706996      10.35659998      -0.84881411      -1.23113799      -0.60549248 
Hf       7.35394995      11.01120003      10.75140000      -0.01525746       0.89222941      -1.84265275 
Hf       9.37260005       1.60363006       2.38370998      -0.89595978      -0.75863838       0.15607665 
Hf       5.42668998       5.35180994       7.58921997      -1.17988968      -0.97467456      -0.21724540 
Hf       3.23955998       3.64615997       4.99136000      -2.82735322      -4.96935236       2.27896627 
Hf      11.15650003      10.85850005       5.08913999      -1.39190354       4.84696925      -0.49809669 
Hf       8.88680000       1.23991000       7.63696998       0.65279100      -1.43871542      -1.76175061 
Hf       4.89168005       8.85906000       1.78367002      -0.19860755       5.11246324       2.90504688 
Hf       3.42667996       7.36396005      10.53479999      -1.70321768      -2.33946829       0.66064971 
Hf       5.15194002       5.11994004       2.55643001      -1.18152962       2.10466984      -1.82577289 
Hf       9.27211999       4.95064999       8.21321005       0.31734957       1.23645842      -1.21561984 
Hf      10.69600002       6.93265005       4.76883996       1.71112797       1.64876919       2.85897779 
Hf       4.87183002       9.27529997       7.73063005       2.46813369       1.22831449      -0.94606618 
Hf       7.28991000       3.58140004       5.33516999       2.10625864      -0.94296251      -2.34218545 
Hf       6.91186004       7.48991995       5.30813997       1.79844817       1.86890367      -1.33629764 
Hf      11.11869997      10.74339994      10.37029998       1.64617669       0.83351132      -0.98705328 
Hf      10.85910004       2.92792004       5.27763004       0.90258688       0.29084558      -1.06103481 
Hf      10.76209995       2.92400004      10.49900003       5.91120624      -1.27392337       0.32487954 
Hf       1.40498006       5.61298995       8.03396001       0.29041325      -0.60259629      -0.60920915 
Hf       8.93967995       9.28500996       7.61005995       1.51302468       2.94462327       0.79014657 
Hf       1.68840995       1.79718001       7.56474995      -0.48883009       1.87108929       0.76901326 
Hf       6.90396996       7.09167997      10.44050003       0.91958497       0.64764068       1.00115441 
Hf       8.94914999       9.71657996       2.30519004       0.11319425       0.54735731       0.54537561 
Hf       1.04234998       5.40633002       2.26977997      -0.95235844      -0.32084379       0.47722172 
O       2.74560996       9.24647996       5.90546001       0.46719612      -2.38732730       3.11351020 
O       8.82661003       7.08363004       3.93490999      -0.66301657      -1.90191106      -2.05290494 
O       1.28773998      10.97606585       3.70499998      -0.45859335       0.65775715       1.01585033 
O       4.48106003      11.06540979       1.52236999      -0.22210982       1.35323431      -3.06741441 
O       6.01557002       3.32310998       3.49607997      -1.94329196       1.21077329      -0.57082026 
O      10.58259996       8.80388001      10.12650003       1.05351946       0.53571391       2.48456433 
O       1.33966999       7.14684002       4.03815005      -0.47884080      -0.36562377      -1.88698177 
O       9.44385996       3.09242001       9.06498996      -2.70247440      -0.53506214       0.34939212 
O       7.53518002       5.53136001       6.93496997      -1.06794637      -0.39098380       0.64716623 
O       1.53709995       0.06509980       6.61643003       0.47023285      -3.25616075      -1.53216649 
O       9.24172999      11.10020004       3.64173996       0.53721051      -0.42144062      -1.92717642 
O      11.47970001       5.14324003       6.10493004      -2.15206582       0.19891780      -0.22096538 
O       3.05313006       9.17090999       3.43022003      -0.58440029      -0.59500994      -1.27140106 
O      11.05070002       5.59389002       3.48890997      -0.11915246      -0.66499415      -2.06404639 
O       5.00873002      11.41999087       6.50700004      -1.13992301      -0.41243345       1.03771786 
O      11.34370000       4.72042995       8.82406995      -4.50664636       2.33749933       1.76976646 
O       6.60043003       9.50705001       6.45332000       0.83724976      -3.69436854       3.02086148 
O       1.30814005       2.85784006       5.64769004       0.81685008       0.58552409       1.18964112 
O       3.31180995       1.51714002       3.52777003      -0.56444416       2.32663551      -0.30063807 
O       8.95602995       3.77319998       3.87594003      -0.03404501      -0.38498270      -0.92308179 
O       8.82471001       3.59989001       1.00152000      -1.06899763      -0.74710213      -0.68379769 
O      11.04429996      10.06110005       7.88244005       0.14189944      -1.46687278      -0.29115105 
O       8.91729003       6.99945002       0.71925100      -1.88986222       1.63200293      -1.08667537 
O       1.02188002       3.71483004      11.11333028       0.60518584       0.40671265       1.26895461 
O       0.95809797       7.32563999       1.01669005      -0.82037469      -0.89634848       0.34825860 
O       3.02477998       1.69697004       8.99237003       3.21624962      -1.50389697       1.87849476 
O       3.58885995       2.25559003       6.47570999       0.49414108       0.42101485       0.11871409 
O       4.80391005      11.12380002       3.85949998       2.04064739       0.72498501       2.24301115 
O       0.83687902       3.27120004       3.25744005       1.68072233       1.68961195      -2.95857634 
O       1.41351997      10.78989999       9.66801005       0.91985857      -1.18418417      -0.53015228 
O      10.52629996       5.46292004       1.04984995       1.60793629      -0.95811484       0.13685760 
O      10.96860004       1.72215995       1.14134003      -0.93420307       1.09160549      -0.13511408 
O       7.22225003       1.09596995       4.19509995      -1.39303768       0.52675924      -2.21006039 
O       5.03931998       3.35357000       0.56507398       1.76545601       1.27467985       0.46038828 
O      10.81589994       9.01339999       2.73561999      -0.54312868       0.00581811      -1.36234039 
O       3.21171994       9.01347997       0.64258201      -2.22746668       0.09809967      -1.31620587 
O       8.99372998       3.12127003       6.47613002       0.39937584       2.00551393       0.34896992 
O       3.34151997       9.42289005       8.73732999      -3.61176922      -0.43083753       0.54606326 
O       7.88863994       9.28585998       9.40562997      -2.55121200      -2.11445160       1.93418783 
O       5.22475996      10.88150004       9.53291001      -0.33586193      -0.31666902       1.18029197 
O      10.57239998       1.18371004       6.39374996       1.34125308       1.61263902       0.14431793 
O       9.35798001      11.28789996       0.51922902      -1.05096037      -1.98320495       0.95040930 
O      11.37099997       9.07335001       5.29155001      -0.21770697      -2.73540490       0.62459648 
O       6.20682004       5.69249998       4.68547004       0.45662004      -0.98002132      -2.37998927 
O       0.96950095      11.09189996       0.86358195      -0.48499170      -0.76761262       0.98877821 
O       5.39991998       3.45578999       8.98920996      -0.63126477       1.73653682      -1.89023867 
O       4.92635995       7.28767000       2.84571000       0.49044769      -4.19067660       1.10126281 
O       3.41408999       5.97573004       0.84047099      -0.63937782      -0.31491379      -0.71085074 
O       4.69603001       7.10726004       6.38472001       1.56821221       1.14655009      -0.42268353 
O       5.30422003       7.62384004       8.80258997       2.10101508      -2.26107911       2.11633705 
O       1.25402001       7.25787999       6.74152005       1.83808498       0.44909479      -2.24867113 
O       8.79958003      11.31418877       8.98372998       0.63605593       1.48704162       0.86874133 
O       5.65997002       3.79418995       6.29609997      -2.73356588      -0.25627293       1.79112617 
O       9.37873003       6.89197001       8.99032003       0.06052327      -2.02612770       0.77455275 
O       8.87051004       7.92499995       6.21008998      -0.40339956      -0.56479827       0.40235428 
O       7.18698000       1.38909998       6.43180999      -1.51682652       0.96999608       3.61691104 
O       6.71177996       5.60064005       0.79403597       0.81567157      -0.69183012       1.43040317 
O       7.59280995       4.96770999       9.59891997      -0.19035817       2.14851252      -0.17632820 
O       6.71106996       1.41391003       9.52166002       1.24335196       0.27053229       0.49186333 
O       3.19562994       5.17652994       6.80732005      -0.08260533      -0.55320238      -3.67752714 
O      11.14210000       1.39058999       3.81989004      -2.47283470      -0.17037751      -0.58722864 
O       0.02606058       1.39808004       9.31151995      -1.98381845       0.93639443       1.60454897 
O       7.19777000       1.16860998       1.51400995       0.81092233       0.21012893      -0.54803908 
O       3.00102003       1.68705000       0.54168300      -1.67146581      -0.89628932      -0.48317176 
O       6.80378004       9.76949005       1.32292998       2.61713327      -0.13941196      -1.90687146 
O       3.04135000       5.15736997       3.37545004       1.61935385      -0.88048452       2.25079310 
O       1.53730999       3.55703998       8.71053996       3.14910197      -0.07707687      -1.26116204 
O       6.71960002       8.99149994       3.99625001       1.15490896       0.18650400       0.43773249 
O       3.36249000       5.51000003       9.36997002       0.17352215      -0.25681767       0.35171593 
O       1.46155999       7.34191001       8.99388001       0.10927622       1.18605425       3.12121553 
O       5.16605003       7.72544996       0.23256796       3.93226707      -1.49851275      -3.60455685 
O       8.98494003      11.04130000       6.24937998      -1.24179351      -2.00669741       1.16499376 
108
Lattice="11.60102407 0.0 0.0 0.0 11.60102407 0.0 0.0 0.0 11.25477225" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0971335067555119 0.008276701112626796 0.0029165819169591515 0.008276701112626796 0.11580855953780748 0.00463276470498851 0.0029165819169591515 0.00463276470498851 0.12849912013271092" pbc="T T T" energy=-1019.09941408 free_energy=-1019.10595897 config_type=crystal 
Hf       1.16930005       1.49446005       2.35567999       2.36652149      -3.30446920       1.53193784 
Hf      10.94170005       7.40961004      10.71469996       1.64606517      -2.54169961       3.13993983 
Hf       1.88895995       8.88980999       8.38993998       1.20933132      -1.75379169      -2.51433987 
Hf       7.29051996       3.41211002      10.62249997      -1.81627394      -2.46737314       1.49401729 
Hf       8.74361005       5.41559006       2.51373999       3.00104358       0.59381396       2.61843322 
Hf       3.52003006       7.19569005       4.52977999      -1.38165650      -0.88703573       0.45789865 
Hf       3.39186995      11.00049996      10.88809999       1.81641231       3.86381746       0.74768749 
Hf       6.74877997      10.89660003       5.24828004       1.51119998       1.84390546      -2.47322682 
Hf       5.03451997       1.66030005       2.18194998       1.65235485      -0.25467029       0.47363020 
Hf       4.94988005       1.46517001       7.68534003      -0.86559716      -1.81218723       0.84492437 
Hf       0.68823597       9.24586003       2.11666003       1.18609844      -1.96639036       0.81655945 
Hf       2.87672995      11.05619996       5.11139995      -1.33268885      -0.76302288      -0.07217458 
Hf       3.33688005       3.45289006       9.98526005       2.46757476      -0.47272689       2.44165828 
Hf       7.25863999      11.11030006      10.41690004      -3.15949744       4.44833020       0.62286581 
Hf       9.26880999       1.55061005       2.46829997      -6.34087897       1.07880247      -3.80255602 
Hf       4.66830000       5.28486995       6.95337004       0.88381150      -0.35202585      -0.78499710 
Hf       3.11461000       3.32912001       4.72448001      -0.36007968       1.02578980       2.20357315 
Hf      10.66150005      11.33853211       5.38901005       0.94105678       1.18539066      -2.12515304 
Hf       8.99849001       1.43667999       7.81847003      -0.61770841       3.01726759      -0.65384175 
Hf       5.55992002       9.45872003       2.44683003      -1.99030235      -0.23601850       0.66276325 
Hf       3.59998002       7.34464999      10.90350000      -2.08634000      -1.82331757      -0.71190420 
Hf       5.14608005       5.26061000       2.65515001       0.61902201       1.35782887       0.10313503 
Hf       9.17602001       5.30662999       8.34782001      -0.22637421      -1.67698627      -1.32013902 
Hf      10.77579996       7.74863001       5.66169000       8.96804211      -1.06618418      -6.81074575 
Hf       5.04212003       8.88554000       7.82574005       1.00832074       0.34036270      -0.30175531 
Hf       7.08320003       3.27638001       5.74973000      -0.80811987       0.99976379      -2.53406610 
Hf       7.18557999       7.42636006       5.04132999      -0.80830596      -2.65877142      -1.06145559 
Hf      11.16080001      10.77699997      10.53069997       0.85107756       1.99519484       1.64569665 
Hf      10.87260006       3.23819002       4.69141000      -0.76531339       3.62851192       4.06183665 
Hf      11.14520000       2.99207998      10.62790001       0.46149917       2.93369512      -0.42398757 
Hf       1.15080999       5.27494005       7.83287996       1.45276343      -1.46914649      -1.35842900 
Hf       9.00886005       9.09970998       8.00026003      -1.96000181       1.04423444      -2.57404218 
Hf       1.22361999       1.05936004       7.99193004       2.38158798       0.92603228      -1.11290136 
Hf       6.93639997       7.30053002      10.77719996      -1.46820456      -1.07865551       1.64098136 
Hf       8.98811997       9.64804004       2.38165004      -0.27201194      -2.15058150       2.70408554 
Hf       0.98557997       5.30627999       2.13289999       0.16189114       3.86395767       3.38760963 
O       3.34529996       9.66717002       7.08572999      -0.90429301      -1.60915377       0.45237372 
O       8.76747000       7.20448003       3.85158002       0.42890224       1.00067304       0.81677882 
O      10.79900003       2.03649005       6.38253002      -0.15367805      -3.42814562       0.28608552 
O       5.03816002      11.00880003       1.17878005       0.58833493      -0.73854585      -1.04687998 
O       3.67486997       5.21499002      11.15846224      -3.68141986       3.49971646      -2.28394797 
O      10.58079997       9.26291006       0.69714997       1.10540599       1.12072736      -0.00896304 
O       0.90622896       7.44009996       3.74368997      -0.81864905       1.57774609      -1.34264829 
O       7.74667002       1.31873005       9.39104004       0.90247238      -0.48039180       0.19452551 
O       7.31936996       5.16866005       4.21910000      -0.10802673       0.33734478      -1.47171059 
O       3.04705004       1.22142994       3.41054005      -0.34578344       0.65501075      -0.93492355 
O       8.67548002      11.13230001       4.23857998       2.44161428       0.86065086       0.29497589 
O      10.85600004       4.99877999       6.42091003       0.38180626       1.06968113       2.56770034 
O       3.65824002       9.26600997       4.32639996       0.07251209       0.18136883      -1.10219651 
O       4.75856003       3.74083003       0.56194605       4.33593331      -2.22324336       1.56753947 
O       5.27551001      11.07900003       6.37273995      -1.13223492      -0.35009527       2.10175673 
O      11.53578757       6.00752001       9.35286003      -1.56935498       0.33074451      -1.03300760 
O       6.96799003       9.28236996       3.83142002       1.03606991      -0.58335004       1.82888633 
O       1.54942999       3.36916999       6.07677005      -0.78720564      -1.15766243      -1.03982017 
O       1.78523995       3.59401999       2.89951003      -0.69790438      -2.08961207       0.61898683 
O       7.29275002       5.52932998       1.39652996      -3.71263431       0.50663517      -1.22052163 
O       9.62713999       4.05209003       9.94072998      -1.28229730      -0.54100946      -2.08451456 
O      11.56519628       8.82602002       9.39471000       0.15408146       2.90128727      -0.04911928 
O      10.07859999       6.77059002       1.58745996      -0.41036676       0.08473259      -2.86379554 
O       0.05102652       4.43974996       0.79655898       0.03000938      -2.46786073      -3.29564546 
O       1.21212001       7.40907001       0.65305996      -1.68316522       0.20187127      -0.46217233 
O       3.08921002       1.69776997       8.62915003      -1.61349908      -0.16678114       0.18645030 
O       3.15183002       0.91379202       6.26529998       0.26502268       1.20360306       1.01153011 
O       7.37770003       8.41536998       1.51345005      -0.09529370       1.75236150      -2.75584196 
O      10.90439998       4.85018004       3.25375004      -0.27506751      -1.71046402       1.80854829 
O       1.10955002      10.93279998       6.51668004      -1.54940173       1.62627821       2.42901349 
O       8.82997005       2.94880004       4.91756002       3.65162251      -0.02027174      -2.26450114 
O       0.98539795      11.26040002       1.31352005      -1.15972671      -0.22620984       0.66787031 
O       5.58374006      11.33628209       3.52382001       0.06727200      -1.03353432       0.54939403 
O       7.06550000       1.42593001       0.52130203      -1.01603067       0.98021739      -0.46395306 
O      10.79319998       9.62139006       3.44354996      -0.87025769       0.12008607      -1.23662138 
O       2.88482004       9.53566000       0.77236404      -0.78067223      -2.37013743       0.85714882 
O       8.33368996       3.48122997       7.32932997       2.25850698      -0.01824292       2.98596203 
O       6.64721997       9.18380998       9.46104000       1.72394087       0.15900896       1.05902362 
O       7.29341000       9.02237002       6.62772998       0.26355883       0.54215253       0.61721437 
O       5.16954997       7.42046999       6.23712996      -1.26587791       0.56489202       1.34472736 
O       1.41901998       0.03398520      10.07040004      -0.80797235      -1.83675082      -2.32000702 
O      10.76239996       1.48059995       0.48842403       0.54444911      -2.29924676       2.11681435 
O      10.39849997       9.61669002       6.09129005       0.06600997      -2.64204363       2.05574289 
O       4.62929005       3.43872996       3.30838003      -0.72817048      -0.60781300      -1.37421568 
O      10.87990001       1.60892004       3.46206001       3.00287956       0.20378109       0.34405004 
O       5.40889998       3.44457003       8.79708001       1.15808658      -1.64387715       1.71670864 
O       4.90695998       7.17368999       1.05558002       2.58206868       0.92713094      -1.64442789 
O       2.92011001       6.17380004       2.94214997       1.61133648      -1.53957568      -1.36415421 
O       5.35419999       7.28065004       3.40288005       0.64954216       0.57641575       1.30771083 
O       6.91676002       5.36063995       6.75444003      -1.34925194       0.17012579       0.47540857 
O       1.39868002       7.62547006       6.37836002      -2.53473168       0.72119635       3.16697367 
O       9.13261002      10.38080005       9.95795001       0.49312990       0.17017032      -1.34123547 
O       4.71622000       2.81248998       6.30472004       0.65610881       3.50726466      -2.20855666 
O       9.19810001       7.44614004       9.08816995      -0.68490378      -0.62428722       1.38913112 
O       9.27788002       7.44084997       6.51304002      -5.31913252      -1.60168947       4.46883410 
O       7.03066003       1.30499003       6.69567999       0.48728061       0.65299204      -0.03782337 
O       7.71173005       5.44590005      10.33989995      -1.08831752       1.23036844      -2.34859877 
O      11.05380005       1.39899000       9.12102995      -0.91934685      -1.12353206      -1.11150479 
O       5.04238001       0.14472498       9.61032003       2.68814589      -0.30128425      -0.59888034 
O       2.75081998       5.41059001       5.71864004      -0.33479113       0.66051505       2.69529541 
O       6.64173999       2.11318002       3.75799997       0.13827684      -0.38071755      -0.95419243 
O       3.73572998       9.62769997       9.49670997      -1.38379418      -3.10942926      -0.96815008 
O       9.06061001       3.23652005       1.34607999      -0.76230323       0.09990739       1.48276295 
O       3.54352004       1.57791004       0.18720198      -1.36600958      -0.59790651       1.12410892 
O       1.00392002      11.40687304       4.07873003      -0.04090265       0.69314873      -0.20236549 
O       4.72253003       5.34572997       4.84249001       1.34427813      -1.07190835      -0.81758526 
O       1.10445995       3.64277005       9.33602998      -0.03306384      -0.81498641       0.38445407 
O       8.69887001      11.36603512       1.64030000       0.52499609       0.01699611      -1.13685122 
O       3.26420996       4.31424997       8.28146997      -1.22116474       3.92347674      -2.84149787 
O       2.37883001       7.06464999       9.16168995      -0.99547947       1.65919443      -1.66577709 
O       5.03577995       7.14453998       9.07747004       0.76169662       0.49381058       1.46969895 
O       9.08505000      11.29609997       7.03796001       0.74050602      -0.98516926       0.48890287 
108
Lattice="11.61016041 0.0 0.0 0.0 11.61016041 0.0 0.0 0.0 11.26363591" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.1005731277800955 -0.0050666764167028346 -0.0021835296025310724 -0.0050666764167028346 0.12459133815741671 -0.007302974652168886 -0.0021835296025310724 -0.007302974652168886 0.14483583857573165" pbc="T T T" energy=-1018.59652938 free_energy=-1018.61607412 config_type=crystal 
Hf       0.98241195       1.33400000       2.01080005       0.36492388      -1.48003857       2.14708685 
Hf      11.13979996       6.80434001      10.65559995      -1.55565655       1.42339798      -1.90617838 
Hf       1.35641005       9.19559999       8.23864997      -2.80413909      -4.35568489      -0.59765502 
Hf       7.12119998       3.34771998      10.63630005      -0.94911528      -0.82161757      -1.24106852 
Hf       9.01262003       5.23673000       2.13191004      -1.06409541       5.06964165      -0.73222090 
Hf       3.87670002       7.48305002       5.24433998      -1.12739524      -0.88331164      -0.26710686 
Hf       3.27505001      11.51885648      10.77940004       0.02301077       0.76989956      -0.21569196 
Hf       7.36703003      10.72060002       5.01527998      -0.75551795       0.49327294       0.29155560 
Hf       5.32228004       2.12781000       2.02593996       0.15488478      -1.61373130       0.19628662 
Hf       5.02866002       1.32617998       7.99961005       1.91851277       1.31338528       0.83139012 
Hf       1.42443003       9.27918003       1.96983004      -2.86412117       0.92945058       0.94870181 
Hf       2.96044996      11.14060001       4.72859003      -0.61667174       0.29539311      -0.04968213 
Hf       3.09027001       3.60435003      10.55560004       3.90934611       1.23153295       0.71683227 
Hf       7.60733005      11.24304946       0.09341451       0.79410171      -1.66341371      -3.60748642 
Hf       8.75559001       1.53641003       2.58935998       2.44810775      -0.50746982      -1.98499381 
Hf       5.27857998       5.11310002       8.00255999       2.53869949      -1.27188193       0.53996584 
Hf       2.76257997       3.25176003       4.79583000       1.99059336       2.35170544      -1.61230101 
Hf      11.08419994      10.81980002       5.98100002       1.16242676      -0.51056276      -1.04151240 
Hf       8.83265001       1.47207999       8.03541996      -0.54942481       1.12482011       0.70050287 
Hf       4.87818003       9.69161995       2.38999002       1.96950380      -0.38846816       0.47091183 
Hf       3.28121001       7.17689995      10.64669999      -2.32011459      -1.46631146      -0.18226307 
Hf       5.19610001       5.49121995       2.27411998      -0.09727712       0.40432394       0.52150184 
Hf       8.91631004       5.36102001       7.71739999      -0.51512969       2.48399261       1.52547631 
Hf      11.08930005       7.40412995       4.99166002       1.93529422       0.59126238       2.41834667 
Hf       4.90330001       9.50630995       7.84565000       1.87488193      -0.46812733       1.36660689 
Hf       6.99505001       3.43062999       5.50830002      -1.51530203       2.15365641       0.93477509 
Hf       7.12098995       7.24329997       5.14264005       0.50385686      -1.60959475      -0.01466811 
Hf      10.94049994      10.71029995      10.74840003      -1.35242180      -0.95512384       0.70280002 
Hf      10.86580005       3.55233001       4.79105005      -2.68630312       1.35591022      -1.48799335 
Hf      10.99020002       3.11699997      10.69409996      -1.44966829       2.05342515      -3.48823264 
Hf       1.67186995       5.11001996       7.45724999       0.70538926       1.72808291       1.78579950 
Hf       8.92934999       9.19141999       8.22350995       0.31583741      -1.79343924       0.36530110 
Hf       0.92291000       1.25022004       7.89441997      -1.06585638       0.69523273       1.04628125 
Hf       6.74582004       7.41107004      10.66739996       2.49246509      -1.80976025       1.67386665 
Hf       8.86027000       8.94521005       2.25143997       2.16276278      -0.34684954      -0.76364402 
Hf       1.34312001       5.56784004       2.29743999       2.04989212       0.46434992       0.04517249 
O       2.96101003       8.88827998       6.43987998       1.08221924       0.26311434       1.03510096 
O      11.13110000       4.99663002       3.46071001      -0.25882275       0.05906338      -0.27885139 
O      10.52069999       1.28536005       6.52037995       0.03612515      -0.56983527       0.57469469 
O       5.88471000      11.59252237       0.79931097      -3.03205025       0.13569540       2.73077897 
O       2.88747000       5.51188000       0.68755103      -1.05226429      -1.36805556      -0.66366900 
O      10.93420004       9.18510998       0.80651598       2.12257152       1.47265538       1.09827458 
O       1.56919004       7.58596004       0.73008095       0.87620890       0.53424991       0.32449095 
O       6.70388995       1.40746004       9.56997997       0.58297819       0.78177710      -1.00864624 
O       5.26322996       3.41327001       3.63879001      -0.48664232      -1.73852556      -0.72578783 
O       2.76555995       1.52826004       3.88527001       0.07831525      -1.32600836       1.87532544 
O       9.09072994      11.00061840       2.76730999      -3.32308658       1.07548628      -0.16199566 
O      10.23469995       5.49027999       5.85070002       0.64990040      -1.70761918       0.46265785 
O       3.47565001       9.07898998       3.75036004      -1.56709076       1.94385565       0.61405001 
O       5.07851997       3.75249998       0.87852102       0.76334886      -0.02718189       1.02484272 
O       3.91740001       0.01153957       6.82432995       2.48416248       0.22862307       1.45178304 
O      10.45499995       5.47062004       9.28124004       0.02584941      -0.30976239      -0.29513013 
O       8.53903997       7.09633995       3.35959995       0.66675452      -1.63594035       1.76089063 
O       2.52727998       3.15759002       6.87708004      -2.32093564      -0.50169742      -1.01125656 
O      10.96579999       1.25625999       3.32616002       0.34825783       2.75469042       0.03260020 
O       7.18243998       5.80914005       1.12894004       1.46901128      -2.24189345       1.68613061 
O       9.01781001       2.66544995       9.86760995      -0.38426267       0.51264521       0.15895558 
O       9.00071997       7.55581995       9.40272005      -1.26179594       1.19795329      -0.37724986 
O       9.69554999       6.93306000       1.10005005       1.28971913      -2.08387586      -0.39481974 
O       0.00189211       4.75876999       0.33888699       0.99583511       1.79203174       1.63473465 
O       2.87492998       9.41270999       9.45663997       0.39676781       0.05048692       0.50528317 
O       3.82977001       1.88568998       9.85928995      -0.56057620      -2.29957324      -1.42050928 
O       1.51689997       0.17382500       6.25696000      -0.42898360      -0.58588933      -1.65081809 
O       8.61374995       9.40294004       0.05455272      -0.75310080       1.35595720       0.53535826 
O       3.29223003       5.41686001       3.51499003       0.47279001       1.27821743      -1.24573087 
O       1.18541003       0.41122294       9.71513006       2.10661548       0.55025895       0.47177316 
O       8.84771001       3.30401005       4.28754998       0.41113942      -0.67814095       0.38988467 
O       1.23170996      10.80309996       3.53034000       2.51787252       0.10343439       0.47678939 
O       5.14488004      11.31469994       3.76215002      -1.70886580      -2.41266413      -0.00778057 
O       7.32645995       2.18828002       1.06576996      -1.08677220       0.47970876      -0.81607148 
O      10.52399995       9.60396997       3.58601998       0.47149895      -3.26926632       2.18989124 
O       3.21201996      10.11820000       1.22814000       1.55874471      -1.06712322      -0.28241656 
O       8.11177004       3.36277000       7.37274005       2.61559395      -2.32427189       0.30714530 
O       6.95093999       9.60019005       7.98298999       0.08900376       0.77902777       0.73095672 
O       7.64279003       9.06271997       4.08223000      -1.00294364       1.54533307       0.60360867 
O       5.10086999       6.57763003       6.71167005      -0.99348883       3.03416360      -2.73884934 
O      11.18869998       8.73971996       9.53257997       1.40980031       1.68119161       0.22631974 
O      11.26722936       1.62808002       0.56198098       1.85033089       1.27365924       0.44166531 
O       0.89104800       7.15656000       6.64109999      -1.28795948      -1.53570931      -1.11686571 
O       1.72199995       3.71244005       3.00028997      -1.50984952      -1.42542360       0.41360975 
O       9.21469000      10.59370004       6.23742998      -4.50691596       0.34331145      -0.70705133 
O       5.41156996       3.89139000       9.58712998      -0.11928549      -1.07578406       0.90973340 
O       5.09738996       6.38817996       0.25209200      -1.54754092       2.27740104      -0.71064611 
O       6.68729995       8.72874000       1.08118999      -1.72040827       0.76943689       1.19865551 
O       6.35882994       5.34079999       4.43054995       1.00101200       1.30740728      -1.47525287 
O       7.23666999       5.16299004       6.60000000      -1.23572607       0.98031808      -1.12107081 
O       0.92605298       7.62180002       3.40575000      -0.68818482      -1.56653347       0.21757108 
O       9.12394998      11.05329996       9.25102005       0.32439002       0.78889659      -1.15169693 
O       5.16258995       3.27848998       6.85661998       0.81198407      -0.53789520       0.05975734 
O      11.00819995       8.87241005       6.79213003      -0.62933154       1.22280412      -2.46589665 
O       8.37008996       7.35973003       6.78711005       0.31973886       0.37768887      -1.21772434 
O       6.94500000       1.12425003       6.63888995       0.42311604      -0.40333488       0.15462218 
O       7.21402994       5.66344995       9.38649996       0.16690702      -1.28840487      -0.84759529 
O      11.22649999       2.72915002       8.49714996      -0.60336114      -1.75637924       0.41605433 
O       4.88241994      10.90919999       9.76190996      -0.96101086       0.45542291      -2.46122005 
O       2.62874001       5.66942999       5.92759000       1.43497143      -0.45297008      -0.52040206 
O       6.99900002       1.07209998       3.13818999       0.32977653       0.49259733       2.53232938 
O       1.13695004      11.32880001       0.82705804      -0.25870631      -1.79768664       0.30031374 
O       9.36333001       3.48164004       1.49766000       0.47858943      -0.93636197      -0.41776742 
O       3.28502000       1.71497000       1.32028004      -0.81132184      -0.64289442      -1.47074222 
O       0.13628703      10.79129998       8.10696005      -0.49984495       1.33207008      -1.84284511 
O       5.19450001       7.66015001       3.14328002       0.56650342      -1.67138824       0.66524273 
O       1.57636001       3.67791004       9.50439002      -1.24703251      -0.22672500       0.36413366 
O       9.38586997       0.26805202       0.38323598       0.86811806       0.84343412       0.95356754 
O       3.38978997       5.29566004       8.73570003      -0.18137360       0.37465348       0.52892012 
O       1.50050003       7.06231998       9.38890002       0.93069274      -0.61093669       0.41696173 
O       5.49735000       7.85322001       9.27795996      -3.00686561       1.10739250      -0.56871030 
O       5.75298994       9.18677999       5.94278002      -0.01709407      -0.46771195      -1.33685219 
108
Lattice="11.61929242 0.0 0.0 0.0 11.61929242 0.0 0.0 0.0 11.27249536" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.10490646993467852 0.004848607999360966 0.0032129357981953645 0.004848607999360966 0.10314736455053383 0.0012354812411453208 0.0032129357981953645 0.0012354812411453208 0.12920109470617486" pbc="T T T" energy=-1017.60289846 free_energy=-1017.60471482 config_type=crystal 
Hf       1.16753997       1.03197001       2.55972003       0.61422510       0.60500880      -1.26626045 
Hf      10.82009994       7.03718994      10.55600000      -0.48744176       0.51737973      -1.02247373 
Hf       1.21812002       9.57096001       8.22070002      -1.38867721      -0.76421454       1.79309044 
Hf       6.61706003       3.28965000       0.04975499      -0.29745397       2.58828427      -2.23004193 
Hf       9.00670997       5.02031003       2.39407996      -0.20542655       0.38684850      -1.97991609 
Hf       3.13909999       7.45578994       5.03721003      -0.71297518      -2.09717363       3.10757196 
Hf       2.81516005       0.16079404      10.59400003      -2.61397818      -1.84583593      -2.30996214 
Hf       6.67762002      10.95610004       5.17707002       4.13859961      -2.09174490       2.46151000 
Hf       5.19913001       1.38876002       2.56038996      -1.44603592       2.82119761       0.37215970 
Hf       5.15692003       1.51196995       8.15707997      -1.10947455       0.12925057       2.13869140 
Hf       1.51874005       9.10552996       2.51348003      -2.12114195       1.12335347       0.18314382 
Hf       3.28799995      11.43939998       5.57701004      -2.46329034       1.47280815      -2.51914250 
Hf       2.72664997       3.56975001      10.88080004       1.85853179      -1.11479257      -1.84852791 
Hf       6.82100999      11.01049994      11.06217641       2.38976108      -1.94094118      -2.56277489 
Hf       8.74871997       1.37931005       2.41754997      -1.20789423      -0.74054157      -3.44792033 
Hf       4.89835998       5.82866002       7.80216004       0.63493590       1.73604626       1.11179624 
Hf       3.16758004       3.59519998       5.26782003      -2.61542200      -2.64977677      -0.21796677 
Hf      11.02030000      10.69310003       4.96130003      -2.57421925      -0.93124422       1.58800512 
Hf       8.55571004       1.70951001       8.15591000       0.24765952      -1.34934249       1.87815733 
Hf       5.16381003       8.93718001       1.82163998       3.56441744       0.35391945       2.20056331 
Hf       3.44303001       8.02784001      11.26431570      -3.69053582      -0.74424370      -4.60043853 
Hf       4.94486004       5.40482995       2.61515997       0.97368930      -0.66485101      -2.93532534 
Hf       8.84208005       5.28146002       7.73142998       2.79851710       0.65403276       0.88262960 
Hf      10.79520003       6.76441997       4.74822000       1.75428633       0.98015371      -0.89797885 
Hf       5.39121004       9.25250995       8.27616002      -1.31235504       2.06259670      -0.79674309 
Hf       6.98224998       3.36117999       5.44980004       0.83813748       0.04069372       2.32767231 
Hf       7.37999997       7.10905004       5.29242000      -1.95726256       1.62396606       1.46824931 
Hf      10.53649997      11.44251337      10.72550000       1.89456111      -1.61912434      -0.18821867 
Hf      10.55109996       3.12958995       4.60674995       2.72885374      -0.18131162       2.14331566 
Hf      11.04440004       3.16445004      10.95339999      -4.80080513      -1.78402215      -3.92437687 
Hf       1.43938005       5.64273995       7.93977005      -0.59648303       2.33405181       1.28558012 
Hf       9.32506999       9.40787999       7.62895004      -2.90071806       0.39367637       0.57302895 
Hf       0.80419598       1.66536994       7.67821997       0.65397907      -1.25916266       2.34141234 
Hf       7.41433998       7.31557994      10.47889996       0.83323840       0.29387308       0.22388977 
Hf       9.14140000       9.67662005       2.25163000       1.04266409      -1.37657972      -1.93097282 
Hf       1.30205001       5.77894002       2.04023001       0.87267836      -0.40854252      -0.52607960 
O       5.34379996       7.02677000       6.15996996       2.19516985      -1.64742841      -2.84642912 
O      11.03589995       5.19303999       3.30909997       0.21970441      -1.48015969       0.09453048 
O      11.02549998       1.36931002       5.70918005       0.54611098      -0.37453416      -0.10917069 
O       4.93703003      11.25297343       9.12616005       1.03101637       2.33281572       2.22138439 
O       3.22750003       1.66166002       0.67996504      -0.22866937       0.21874754      -0.22805189 
O      10.69239997       8.81818997       3.97616995      -0.88614313       1.90190864      -0.34858540 
O       1.26400995       7.24297005       0.24951398      -0.37708829      -0.19925006       1.62392450 
O       6.93441998       1.55175999       9.54727004       0.44752909      -0.04062073      -1.54677910 
O       5.33476004       3.56015004       1.75719998      -0.99471852      -4.28899168       0.34306269 
O       3.01664996       1.37729004       3.96486003       0.94901731      -1.01468272      -2.10002185 
O       7.70966997       9.45151996       3.73135998      -1.74480245       0.41964716       1.85255156 
O       1.35980997       6.85352995       5.65084004      -1.03756566      -0.32407922      -0.63153987 
O       6.05269996       6.76959996       3.67103995      -0.76266740      -1.13963250      -0.83293724 
O       4.64372005       3.01239998       9.84803003      -1.03108004      -1.44734961       0.29627052 
O       4.99578995      10.90979995       4.17440997      -1.12433818       0.29179767      -0.93005928 
O      11.27688744       5.20859997       9.43383999       0.66947944       1.21372219       0.37809108 
O       9.04694003       6.50660995       3.58926003      -2.27372199       1.86130350       2.92654517 
O       1.07854002       2.98589997       3.99080999      -0.11168668       0.15878959       0.14919826 
O      10.32860004       2.31152995       2.83338004       2.17153379       1.42369204       1.55724814 
O       6.65946999       5.13974996       1.05194002       2.46916216       1.06697634       1.83479504 
O       8.97262001       3.52551002       8.69959000      -0.60394736       1.58827994      -1.04155861 
O       9.13058000       6.74747997       9.33124000      -2.25147148      -0.87897689      -0.06025624 
O       8.95238002       7.79155996       0.71831305      -0.48818399       0.56893715      -1.53435548 
O       9.77018997       5.56236001       0.72935705       2.50076497      -1.48077867      -1.17002196 
O       2.51107003       9.41822000       9.65785999       1.14227409       0.26302088       1.68901731 
O       2.54896996       1.01792996       8.64127998       2.41125402      -0.00843698       1.03276848 
O       4.53115002      11.03589995       6.88209999       1.85368458      -0.53338045      -0.31922458 
O      10.93359998       9.87775000       1.35555995      -0.03802152      -0.56864081       0.04169521 
O       2.54001997       9.13884003       4.37612000       0.35448731       1.02439816       0.82841737 
O       3.77224000       7.96335003       7.35002003      -1.23124315       1.93858532      -0.50403181 
O       8.26321004       3.38371003       3.47234002      -0.73098532       0.70051155       0.95393449 
O       6.93328001       9.42809000       6.88260003      -0.84513926       0.32502022      -1.23160904 
O       7.05826002       9.36686005       1.08772005      -1.72493678       2.07045799       0.62410882 
O      10.36949995       1.43371995       9.27506002       0.73459899       2.14724671      -0.65770412 
O       9.68295000      11.49729996       3.31956005       0.02223975      -0.91184650       0.61838524 
O       3.11729999       7.92349005       2.40083996       1.45013693      -1.04491234      -1.52784073 
O       8.85376999       2.89107005       5.98845003      -2.37056550      -0.22499524       0.38699606 
O       9.15016001      10.98370004       9.41791004      -1.21146862      -0.00474867      -1.94054541 
O       6.85014002       1.07316006       3.53965000       0.61725991       0.00451299       1.56266950 
O       5.86702994       7.47341002       8.56453998       1.42642085      -4.10688608       2.25891358 
O      11.00699998       8.81414995       9.44596999      -1.06881458       1.00889070       0.33971637 
O       0.85563400       3.65806000       0.64074904       2.92894683       1.80673049       3.64862522 
O       3.16936999       5.34173998       6.59012004       1.12975597      -2.35762567      -0.62554392 
O       1.26244995      10.95490000       3.53089003      -2.05733678       0.96673873       0.33499987 
O       8.97521995      10.65179995       5.98630995       0.44168199       1.21292745      -0.13429215 
O       6.06285000       3.69104996       7.50211000      -1.54125322      -3.18263942      -2.59598568 
O       2.98302001       5.15870998       0.71617195       0.26417648       0.93419821       1.91634124 
O       5.14061002       7.24675004       0.83662296      -0.52620691      -0.14320524       0.78369872 
O       4.91664003       3.41324999       4.13775001       0.65631258       1.34453808       1.81483620 
O       7.22000998       5.32925005       6.58742997       1.21780119       1.04210949      -3.26973863 
O       0.58606200       7.33005003       3.03189003       1.19139634      -0.07289928      -0.76004550 
O       7.18485000       0.65736402       6.79671005      -1.96536783       2.28704657      -0.36234090 
O       3.57577996       1.89177000       6.35716006       0.91332832       0.77942598      -0.05933815 
O      10.69440000       9.22521995       6.33067003       4.54897509       0.47396335       1.27110395 
O      10.15360002       5.11737005       5.94634997       0.21403263       0.70068665       0.40259443 
O       6.56094001       1.14475999       1.00245005      -2.42770006      -0.41777820       0.25304499 
O       6.17119002       5.12677005       9.96422003       1.38892165       0.70391079      -0.99598409 
O       1.07529998       3.38647996       6.92894002       0.76539557       1.55258406      -0.88790839 
O       7.51444994       9.15082998       9.68929999      -0.84687008      -0.04078599      -0.01667311 
O       2.78246998       6.08467997       9.30234002       1.27202050      -1.65211645      -0.90983967 
O       8.71620001       2.62759004       0.24321998      -1.02807516       1.59849627       1.84971829 
O       1.34090004      11.36750003       0.84660002       2.25989942       0.92060650       0.19183088 
O       0.67849104      11.46058846       9.30931995      -0.80373102      -1.50819763       0.90415192 
O       3.57452996       9.81349996       1.09868999      -0.68564277       1.05157149      -0.05773583 
O       1.41361996      11.04279995       6.50249003       0.23451390       0.00661514      -0.28336149 
O       8.73185003      11.39810002       0.74472597      -1.08585928      -0.62548791       1.10199012 
O       2.89543995       5.66884002       3.44062000       1.42949920      -1.07194718       0.81163695 
O      10.98629998       1.28429004       0.83906504       0.73537754       1.66560389      -1.47941234 
O       1.36347005       3.07574998       9.44289000      -1.09051961      -0.08576467       1.70129969 
O       0.89460895       7.63527002       8.17950998       0.93745432      -2.72402431      -1.27988624 
O       5.09876001       9.31064998      10.52960004      -0.45428587      -1.05661032       1.33555350 
O       8.96682001       7.51468000       6.74132997      -1.42837115      -1.47129695      -1.53218857 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.017625522812771778 0.010717280608817133 -0.006609901513050465 0.010717280608817133 -0.008397134251829422 -0.018226740336167564 -0.006609901513050465 -0.018226740336167564 -0.019286183082968127" pbc="T T T" energy=-923.79668521 free_energy=-923.79683727 config_type=amorph 
Hf       8.77409610       2.77634821       0.21318259       1.14600952      -2.41776306       1.88495882 
Hf       3.27326542       6.73456098       2.27642335      -3.18144373       0.79593967      -0.16222911 
Hf       7.41606849       7.63039143       1.91075087       1.04438797       0.25146246      -1.24374822 
Hf       6.52233733      10.44844392      10.83080882       2.53510701       0.11643915       0.45544735 
Hf       3.19588203       4.31893431       9.17189766       1.02095226      -0.08812781       2.70862756 
Hf       0.26269271       4.07872817       7.77882538      -2.31661012      -1.10228279       2.18456410 
Hf       1.10446152       1.28264277      10.43524628      -3.73103122       1.52689649      -5.49745860 
Hf       4.18370952       7.16964209       5.55445351      -0.19929936      -3.50537487       1.45665688 
Hf       5.19240337       9.69022177       3.30184653      -2.52846925       0.10410083      -2.15695355 
Hf       0.97873105       3.74946804       1.55603681      -1.06985095       2.05619063       0.73529638 
Hf       0.36932564       8.06517834       1.76734668      -0.77207137      -0.74828286      -4.20237914 
Hf       2.44099592       1.47898302       3.94001023      -0.35928773       0.16958825       0.15524291 
Hf       8.61514788       5.82119261      10.42218141       2.69417262      -0.37435794       1.44200548 
Hf       8.43484845       7.08889691       7.51170675       2.69946012      -0.76305640      -4.98321647 
Hf       4.66574222       1.75870437       1.31099416      -2.01686682      -0.24330973      -1.05249747 
Hf      10.35066674       2.70784336       4.82428876      -1.47248072       0.27876062      -1.62382505 
Hf      10.38373566       0.18288563       2.31193299      -1.33223328       3.73904325       1.25985505 
Hf       4.77616403       7.31640317       9.22915042      -1.06893913      -3.49172016       0.74831617 
Hf       7.42022300       1.86841822       3.50945330       0.28692823      -2.00012833      -0.92408503 
Hf       4.40471857       3.77337299       3.90068946      -4.15557134       6.39080469       3.66871947 
Hf       5.89499286      10.53549556       6.49758428      -3.09562827      -2.64876585      -0.21539048 
Hf       1.62837417       7.49270974       8.13081916      -3.55835891      -5.65879686      -2.57254888 
Hf      10.78423057       6.00636199       4.46229779      -0.93808913       0.30681339       0.57726358 
Hf       3.57613981      10.42587865       9.66137587      -1.91385857       0.51366467      -1.35389667 
Hf       1.26631078       9.46910578       5.25454617       3.55723833       0.84444308      -1.32995134 
Hf       5.45600118       4.91194358       0.59025012       2.44567074       2.50250882       0.93871858 
Hf       8.76720774       1.60861287       8.24202305       0.91808565      -4.50665645      -1.91118441 
Hf       9.81824043       9.09328120       9.97809874      -1.77870302      -1.25748285       2.79977551 
Hf       7.35803287       5.24821507       4.57350635      -0.46117211       0.72852723       2.03407623 
Hf       8.51071814       9.46145845       4.73986730       1.55167215       1.39903546       2.71542395 
Hf       6.05369345       4.01058875       7.63513056      -1.43820625       1.77531295      -2.60457117 
Hf       2.97009444       1.60791025       7.00171836      -1.08024987       1.03074564      -0.78449245 
O       9.82662068       9.11122383       2.93087224       0.72214696       0.05822070      -0.63109548 
O       4.38230290       0.49399099       7.73728818       1.02402711      -0.89949213       1.26838022 
O       1.68717603       5.29328265       8.63215198      -3.01522626       2.21291653      -0.97753835 
O       6.40891645      10.74772279       4.53487496      -1.47721475       4.42668673       2.42974698 
O       2.80173559       8.52291852       9.01556104       3.11307318       3.23791197       2.38838409 
O       2.80485050       8.19690401       1.02962015      -2.45140594       0.96524842       1.85610496 
O       5.24523315       9.15877047       9.57867644       1.44668143       2.45376118       0.05943534 
O       7.53011621       0.17193373       7.09138823       2.31222431       2.79709055       1.71577311 
O       4.94195371       8.68666059       6.39958704       1.72553266       2.65989702       1.29605033 
O       4.25250683       3.59756440       0.03736413      -0.87562412      -3.10164399      -0.15432254 
O       4.16057428       7.91070576       3.76877543       0.00227103       4.43135725      -2.77077280 
O       7.19902049       5.45289593       6.85866809       0.95507316       1.27789266       0.16134906 
O       5.56767678       9.24653732       1.29317300       0.72863949      -0.53986018       2.66296904 
O       3.95051745       3.28510037       7.71124018       2.23937023      -0.02203160      -0.18558017 
O      10.71570021       4.43670446       3.37853935      -0.10607247       0.61135113       0.60407195 
O       7.12588801       9.20074518       3.46773208      -0.13926429      -5.68721038      -5.59422586 
O       8.00707921       7.41950800       9.24508441      -0.89038699       2.28281243       1.71935449 
O       7.19118426       1.36336156      10.15065129       4.79448891       1.29340164      -0.87582229 
O       1.35437097       2.63420444       5.24136774       1.97909953      -1.31180741       3.07647807 
O       6.34925976       6.68208338       0.11277166       2.25376460       1.66242832       1.70438543 
O       0.27611172       4.99676151       6.08524345      -0.02775333       0.66002986      -0.71572827 
O       7.45183087       4.16891859       0.61652187      -0.91462247       1.05427395      -1.54982456 
O       9.72490003       2.83876827       6.70458395       0.27212657      -1.50951959       2.17034063 
O       3.76863256       6.30434732      10.57424127       0.43027349      -1.38983188       0.06665352 
O      10.46366129       1.58221964       0.81224048       1.78721644       1.29916730      -0.64145138 
O       7.62762002       8.74136623       6.33726120       0.53666201      -1.69277358       0.74506400 
O       0.38869980       2.01322506       3.19738954       0.40192119      -1.28235976      -3.15623901 
O       8.99416988       0.85742716       4.39518527       0.20308432      -1.91214643       0.04594723 
O       1.28081597      10.80353807       3.70841709      -2.09705359      -4.10451597      -1.30156124 
O      10.04507360       2.53491909       9.42287602      -0.56899276       0.24156430      -0.19022907 
O      10.07995477       4.57053355       0.42265361      -0.72490506      -2.22185894       0.39943373 
O       1.84073472       0.36839644       8.78330827       1.84526775      -2.33356566      -0.43303904 
O       3.83718181       0.38621293       2.59265616       1.69172585       0.23071048       1.21361066 
O       3.37865996       5.65392190       4.47160766      -1.07943221      -1.72610846      -0.61718802 
O       0.98146436       7.37254316       3.42265418       1.12425673       0.60323133       1.69233131 
O       5.94427228       6.49225652       4.73865779      -0.36812316      -0.10209083       1.08216895 
O       3.76901677       6.35867158       7.72791229       0.15749232       0.59204953      -0.59623612 
O       5.60674492       3.10159636       2.68179982       2.71311203      -1.82663221      -3.23336453 
O       2.70590453       3.05301067       2.72688673       1.55091876       0.23678412      -1.22777590 
O       8.84956693       6.80904453       4.71561961       2.07450561      -1.09454182       0.70557613 
O       3.77140397       2.51132930       5.23860577      -0.61378705      -2.43201549       0.14076538 
O       9.35422353       5.28764158       8.66763948       0.22266552      -0.24398821      -1.13708350 
O      10.64357076       7.81449038       7.40853255      -1.49181540      -0.49004834       0.22904239 
O       2.18201490       7.97278103       6.08491819       0.09033666      -0.99595400       0.94710569 
O       5.52828034       5.18542805       9.19559883       0.47085239      -1.41324502      -0.77703107 
O       7.50974913       2.94590277       8.02538173      -1.85503918       1.16196071       0.61460835 
O       4.98052648       0.80753023      10.27784889      -0.90257481       0.01046947       2.12263055 
O       5.82610772       3.70921569       5.27305790       2.60553781       0.92018616       1.11116789 
O       9.57484154      10.47254798       8.84261701      -0.34293263       3.77169720      -2.72694484 
O       8.49734299       3.28005629       4.24805105      -2.26779387       2.97680605      -0.10364728 
O       4.72304384       5.54506092       2.36229316       2.05566687      -1.96609484      -1.47707648 
O       2.64688011       0.94959703       0.39699199       4.96883980      -2.51976616       2.10431891 
O       8.46870065       9.58936877       0.59756025      -3.04687502      -0.56602913      -0.76339216 
O      10.34384689       9.57101239       5.49547187      -1.41036810       0.36492665       0.93675331 
O       1.74848896       3.17577539      10.65296846      -0.17283776       1.43811437       0.40765562 
O       7.45533335       5.86940246       2.74759220      -0.09613010       1.19878958      -2.29940605 
O       3.23522581      10.79745253       5.48429471      -2.57334847       0.82935728      -0.02256934 
O       6.48156387       1.08426565       1.72397106      -1.50242054      -2.18903936      -0.34813755 
O       9.40791031       7.02542269       1.07913189      -1.63279821       1.46355567       2.11818699 
O      10.62855684       7.33415984       9.95092288       2.96659469      -0.05798470      -0.10360710 
O       1.71537141       5.59895809       1.58258963      -0.45205160      -0.53813953       0.49500142 
O       8.78447598       1.63443364       2.04929000      -1.89047631       0.62325377       0.83809613 
O       0.07652552      10.11297580       0.52670164       2.18289557      -1.74638507       1.31389592 
O       1.56409039       2.57130300       8.19467998       0.03556846       2.08383884      -0.98538580 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0021767165396900045 0.008325335688233754 0.0019911150547229357 0.008325335688233754 -0.002474946075558164 -0.011168101954368502 0.0019911150547229357 -0.011168101954368502 -0.036316324539142845" pbc="T T T" energy=-919.05673041 free_energy=-919.05699708 config_type=amorph 
Hf       9.29935081       3.15997765      10.25162621      -1.12101621       1.46224327       0.68986644 
Hf       3.97942133       6.50786536       2.76669158      -3.77577196      -0.24696382      -1.96653862 
Hf       7.72969448       8.28595126       3.42348209       0.12344570      -3.67720567      -1.94999949 
Hf       7.57471349      10.36388252       9.85674100       2.30266996      -1.21153236      -4.92979771 
Hf       3.60752772       4.05333133       8.81844358       2.67493318      -3.36893485       0.00615703 
Hf       0.20718814       3.86861043       6.60908227      -0.94336798       1.28917172       5.23004040 
Hf       2.39593941       1.08964921      10.63709798      -1.11428028       1.27930867       1.62600932 
Hf       3.39492128       7.22789787       6.03438085       2.79882115      -0.10267451       1.93683107 
Hf       5.08595478      10.36065026       1.75529699      -0.57044144       2.31447656       1.36124253 
Hf       1.30614636       4.99713942       1.15304233      -4.03698273      -0.48304214       1.18714567 
Hf       1.58498498       9.28387159       1.80184364       2.97606589      -0.78572193       0.90605581 
Hf       0.74495676       1.80595364       4.46718608       0.98779412      -1.00207938       0.69447095 
Hf       9.21785492       6.89657037      10.67817335       0.99402188       1.43981668      -0.67778569 
Hf       9.14402731       6.34056317       7.40940529       4.94563869       1.91357185      -1.11470648 
Hf       3.79918844       2.89839685       2.61272643       2.33081920       1.57196639      -1.15941745 
Hf       8.78878606       2.85852023       3.65202817      -1.44072487      -1.67279463       0.69370704 
Hf       9.67736838       0.02254150       1.58106626       4.27785412       1.48113714      -0.23749845 
Hf       5.97096807       6.68026494       8.39722518       0.77754568       2.19654302       3.08825898 
Hf       5.93382096       1.73513726       5.03800744      -0.44137844      -2.29031611       1.19534140 
Hf       3.37618298       3.69106059       5.54727149      -1.60235252      -0.81256563      -0.51279720 
Hf       4.24729263       9.65123744       4.70140016       1.54914231       1.11917279      -1.99365376 
Hf       1.60101722       6.12933168       8.93242280      -4.25300274       5.58062120       0.89504059 
Hf       0.35989385       6.22786674       4.10655552      -0.99752410      -0.65699066      -2.79034735 
Hf       3.77356005       9.05785938      10.04550568       1.19645882      -5.98498018      -0.08526172 
Hf      10.65377975       9.11366119       5.50482463       0.21211555       1.63030839      -0.25634269 
Hf       6.85535972       5.06485783       1.36607283       1.92311682      -0.66721341      -0.51740158 
Hf       9.60875823       1.22510915       7.25212211      -1.61074756      -1.44586120       0.19597295 
Hf      10.72095426       9.54529356       9.18674069       2.89553303      -3.10307398       0.83530786 
Hf       6.27191404       5.17011960       5.39728845       1.73760129       2.84043209      -1.62977206 
Hf       7.36819084       9.74727576       6.48546749       1.75601338       3.66765164       2.60001151 
Hf       6.63421051       3.36630510       8.05917216      -1.40595684      -3.43185123       2.67279430 
Hf       2.50719574       0.27443473       7.28950794       0.16556432      -0.26939681       1.90497476 
O       0.01443386       9.06320050       0.66601548      -0.44366084       0.56805705       0.52575194 
O       3.38356378       9.42238358       6.32699510      -2.46542251      -1.54661182       1.72186594 
O      10.76051734       4.99745730       8.50159510      -0.65426148      -0.41530327      -0.99452563 
O       3.19106625      10.07554241       3.19818184      -1.00450555       0.78295684      -2.47177782 
O       3.90967191       6.75121985       7.92653075      -3.89992248      -0.47939081       0.05367885 
O       3.69431207       7.71774292       1.22646109      -0.41269953       1.17698130      -0.19788451 
O       6.58385501       9.51740346       8.26274568       1.21608786      -0.12374835       1.24718018 
O       7.46113347       1.02623459       6.78055331       1.15290478       0.51646211       1.59859721 
O       4.41104924       7.84830458       4.06216820      -0.05780035       0.86925663       2.45420703 
O       4.99607257       4.89783226       2.29206443       1.65743628       0.00784584      -1.63503586 
O       6.16057933       8.93906483       2.36045214      -0.48503357       0.43849054       1.08706649 
O       9.95307005       5.19190344       5.76296983       0.88629254       2.84550700      -0.63332420 
O       7.33037868       6.51345541       4.40972325      -0.96488556      -2.07513486      -0.54349173 
O       3.83608868       2.51472680       0.80758603      -2.14292646      -1.09154184      -3.30522406 
O      10.44478218       5.24446463       2.48196491       2.61224810       0.31589743       1.41000751 
O       5.62857685      10.48603082       5.66235349       1.36542056       4.24759607       0.41631748 
O       9.46561242       0.25505385       9.14784528       0.33175338       0.45803294      -5.00498055 
O       7.21507683       3.63699612      10.23227844       2.17378042      -1.55013360      -0.63455711 
O       1.01311880       1.77675654       7.01165357      -2.13091450       0.27381654      -1.58154769 
O       8.93805236       8.89194279      10.22456445      -2.57530367       2.24172688       0.15011388 
O       1.27876042       3.97568153       5.06415239       3.00465592       0.83747657      -0.86936213 
O       8.67234213       5.17983279       0.33354622       1.45848040      -4.52989527      -0.58168152 
O       9.98268751       2.81052208       5.21247559      -1.29836791      -1.71989754       1.78574492 
O       5.43248087       7.73734539       9.98488310      -1.15482254       1.20347824      -0.63268256 
O       0.16705782       3.30881784       0.57157566       0.10515808       1.02110414      -1.68949264 
O       6.94163936       8.81393776       4.99990823      -0.73781210      -1.43673264      -2.40770809 
O      10.56353982       1.80875068       2.89582052      -5.18550102       0.93277505      -2.19792514 
O       7.42888692       1.36017620       3.98480630       3.62559235       0.70652382      -2.47465427 
O       0.92650978       0.41310544       1.19123534       0.13506844      -0.48622134       0.43639445 
O       5.50011329       4.90842101       9.02870169      -0.59195689      -1.69616357       0.29549143 
O      10.43840114       7.38750931       8.81952314       1.24416240       1.56177066      -0.68418540 
O       3.64439712      10.39300775       8.77442016       0.59733638       2.39468029      -1.65417458 
O       3.20762894      10.35193509       0.68219439       1.33575678      -1.16574715       0.03614611 
O       2.07207686       4.75204184       7.48422908       2.25597894      -1.18309896      -0.80365323 
O       4.10759730       5.73062840       4.87793200      -1.12752616      -2.22564035       1.37882283 
O       5.43277345       1.91766724       8.81864258       2.20050783       3.20879451      -1.80946361 
O       5.77774154       6.94100285       6.53727720      -0.61235819       0.17656203      -2.85809533 
O       5.28499979       1.38194798       2.67548402      -0.99647977      -2.02201440       0.92150816 
O       2.28918685       2.29825213       3.53568075       1.21940937      -0.63583769      -0.16185544 
O      10.08425410       7.88173968       3.93192170       0.29335400      -0.63700860       0.98986804 
O       3.62909714       1.45823249       5.76374725      -1.01636673       0.66829859       1.07592949 
O       8.08731902       6.66769490       8.93343331      -2.63059183       0.15672982       2.72371784 
O       1.53911239       7.40749283       5.50709003      -1.81992177      -0.29542078       0.35312901 
O       0.80305231       9.74224763       7.28800271      -0.64801837       0.09231773      -1.39256089 
O       7.66298050       5.33328129       6.88911357      -3.85872211      -2.55108471       0.45745721 
O       7.14281818       3.15595135       5.66294918      -0.65063989       2.90681576       0.73744558 
O       6.33917203      10.57266905       0.26446338      -3.56252429       0.61417731       2.86130099 
O       4.76425590       3.84061394       6.93710043      -0.00869159       0.36212010       0.08622704 
O       9.25933491       3.03941318       8.02480939      -0.72447131      -0.31865768       1.66495956 
O       7.73814865       4.34453003       3.01967230      -0.68822955      -0.65986872      -1.40555720 
O       4.84810599       3.42675723       4.29655240       1.34057678      -0.17175583       1.33984761 
O       2.49317844       4.71835617       2.83603757       0.59663304       1.24570702      -1.68060230 
O       1.33421603       0.09865980       9.31914978      -1.00080663       0.46683992       0.10979627 
O       9.32703182      10.65976476       5.93430689       0.70464926      -1.35521221      -0.46031666 
O       2.74709259       5.22115482      10.19601775      -0.46930137      -1.07466892       1.28445105 
O       7.55244525       6.83674312       1.40115104      -0.15500920       1.83239930       0.97772946 
O       0.53450476      10.80674634       4.23154732       0.40182499      -4.77481741       1.37429792 
O       8.81180199       9.82320787       2.86922775       0.25479260       0.99973932      -0.46564752 
O       0.31005099       6.36999303       0.02807564       2.14094722      -1.47812822       0.45188170 
O       9.12325171       8.22113726       6.48609390       0.05875030      -0.48902391       0.76955461 
O       1.66268711       7.26363463       2.73173214      -0.17889752       0.11797000       0.34266747 
O       8.84998229       1.07139945       0.14004089      -1.19599751       2.15195906       2.11539581 
O       2.03569154       8.32679181       9.50871935      -0.24981501      -1.42340569       0.14184581 
O       2.80893694       2.19743462       9.12273093       0.15395852       2.68022473      -2.08110400 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0061518869343371715 0.0075469546072657314 0.008070140739879158 0.0075469546072657314 -0.005498586832206509 0.006866985541523139 0.008070140739879158 0.006866985541523139 -0.021888362203468747" pbc="T T T" energy=-912.63887536 free_energy=-912.64014499 config_type=amorph 
Hf       9.45049331       2.49514887      10.21944643      -1.14207370      -0.11694546       0.87562661 
Hf       3.75564140       6.99844582       2.63526359       2.58826070      -0.16376356      -5.20458563 
Hf       7.61840786       7.97169648       3.46588009       2.14025106       3.38400306      -1.50272763 
Hf       7.51409699      10.50670774       9.93839399      -2.53440905       3.36108733       1.07659048 
Hf       3.64787691       3.29044192       9.08714127      -1.32661875       2.06851368       0.26403039 
Hf       0.06966267       4.16504917       6.62615162       1.87100882      -3.28158957      -0.60142979 
Hf       2.30550276       1.30340947       0.35307291      -1.21891546      -0.72374283       1.32104517 
Hf       2.84904567       6.95253807       6.12664972      -0.84416364       3.26353276       3.32151169 
Hf       5.29094343      10.08556881       1.64879086      -2.53409346      -2.24320653       4.17580351 
Hf       0.70454982       4.49368809       1.05358871      -3.29563327      -0.09836802      -7.16679353 
Hf       1.98855994       8.87445395       1.31959891      -1.04589608       2.98585923      -0.27029050 
Hf       1.86795509       1.12385902       3.68118717      -2.01638949       2.88617875       7.37229940 
Hf       9.62383479       7.63450458       0.12205320       0.24131899      -1.99272012       0.26539446 
Hf       9.05420600       6.25978130       7.28399802      -1.47143439       4.51459378       1.32847675 
Hf       3.80261004       3.70055806       1.88694775       2.75960331       3.33162920      -1.86824759 
Hf       9.08904038       3.02824166       3.84866393      -0.41157239       1.09689910      -1.99137018 
Hf      10.06487278      10.72177685       2.33017450      -2.27242111       1.41277704      -1.99062918 
Hf       6.20231130       6.72637050       8.90984439       1.11734638      -3.85353085      -2.40711602 
Hf       6.17320007       2.03600181       5.17649055       1.66220552      -1.71330175       0.20740185 
Hf       3.00397845       4.05586781       5.34593395      -0.37208160      -3.35396262      -1.10400491 
Hf       4.33178965       9.68638394       4.78520933       0.01727758       2.93295110      -0.78936206 
Hf       1.46930793       6.37468710       9.29356068      -2.82123558       0.66217402       2.42580293 
Hf       0.26874893       6.14789400       3.92300146      -2.32262919       4.20125392      -0.30819365 
Hf       4.04342621       8.84802131       9.49736913      -0.57439599       3.76626679       4.16962823 
Hf      10.85369566       9.41477501       5.48901603      -1.32743561      -2.79735441       1.65798453 
Hf       7.20402256       5.23575544       1.83869155      -0.64570361      -0.57263935      -4.21241165 
Hf       9.47625926       1.28674126       7.07114589      -1.12348839       0.37770387      -2.68418991 
Hf      10.55361059       9.84938375       9.32750168       5.54175455      -2.42818316       1.68170049 
Hf       5.97318939       5.46799485       5.30728996       1.26674005      -2.52827942       1.02284096 
Hf       7.24324801       9.91712246       6.34328898       0.55754901      -0.21040199       1.59591978 
Hf       6.79780971       3.44836281       8.23409900       3.76305937      -2.22895797       1.06798408 
Hf       2.15416724       0.19590122       7.28853652       1.55305679       0.05170259      -2.15717803 
O      10.68866472       9.09059175       1.14320864       0.92980865       0.38463438      -0.48985064 
O       2.79075330       9.29450724       6.07519882       0.58142192      -0.71449694       0.18692650 
O      10.67739897       5.18856956       8.32291208       0.80481322       1.18060365      -1.47483713 
O       3.67088393       9.22288500       2.79663647      -2.34766071       0.14885513      -0.07482630 
O       2.54716800       5.96470352       7.86177103      -1.47570758       1.04103269      -0.88091078 
O       3.48909946       7.62915120       0.75112459       0.36097701      -0.73507284       1.33993515 
O       6.97910912       9.76161538       8.33821933      -2.12016474      -2.23208256      -2.86717432 
O       7.28859026       1.48203333       6.91252998       2.59383918       0.84768783      -1.78159105 
O       4.02355678       7.51940087       4.40663201      -0.85916406      -1.99298579       4.21798502 
O       5.12018131       5.24230389       1.43981445       0.37136046       1.01000633       1.76292898 
O       5.72599392       8.22863347       2.34127133       1.73953783      -1.37288124       0.34943831 
O       9.52954825       5.12149135       5.62457975       1.18927515       0.97252650      -0.22597493 
O       6.95199384       6.04362688       3.59436449      -0.51666100       1.34087660       1.58013296 
O       4.30410593       2.93882409       0.03830744      -1.25474230      -1.85390219       1.32632969 
O      10.50257733       4.69351638       2.53786681      -3.74214459       0.87814390       4.90225369 
O       5.63232685       0.15570130       5.98743413      -2.01367028       0.13476234      -1.65886603 
O       9.10383141      10.69944748       8.56402451       0.12228023       2.84166150      -1.33014172 
O       7.18903958       1.71269293       9.45755874       1.23656349       0.86996485       0.50778170 
O       0.48277593       0.89239138       6.25368002       0.29676108      -0.86838982       1.36906973 
O       8.35982425       8.98004217      10.77274389      -0.93951709       3.21870661      -1.29169599 
O       1.50532099       3.06834821       4.54492274       0.31520435       0.75098014      -0.26123148 
O       8.59887419       4.01595331      10.81489588       0.35165243       1.01045767       0.57164236 
O       9.94632771       2.67512402       5.54705273      -0.56777496       0.64212757       2.98565668 
O       5.95239251       7.72362631      10.32858284      -1.69110796       1.60031111       1.71204364 
O       0.47781110       2.74457055       0.08666026       0.74760747       1.45021927       0.80567756 
O       5.94308133       8.75127527       5.15850948       3.46751095      -2.07590299       0.10366038 
O      10.50165085       1.75267691       3.22569837      -0.15396373      -1.82117947      -0.36626581 
O       7.80517822       1.72758916       3.93693473      -2.35853714      -2.27969873       2.00899138 
O       1.33756011       0.54318301       2.03447476      -2.11406703      -3.61422122      -4.05661360 
O       5.84909161       4.49159694       9.52800730      -1.24067615       1.92105740      -1.09748887 
O      10.42393449       7.73317535       9.13368304       1.39163060       1.13907041      -1.77580411 
O       3.50853289      10.49275113       8.54291051       0.83159205      -1.51988381       0.05459857 
O       3.26141168      10.47741966       0.56525248       1.15511957      -0.85104450       0.77698485 
O       2.60778722       3.39057081       7.01645642      -1.19294682      -0.90110725       4.01966770 
O       1.47155726       5.45877259       5.49930373       2.09427286      -1.40026970      -1.40179380 
O       5.47922978       3.31840726       6.89845937      -2.19207091      -1.41949385      -1.58502669 
O       4.30977262       7.70381084       8.06553996       1.60653571      -1.19485798      -1.33365283 
O       5.54688511       0.19952779       3.27606918      -1.02771149       1.38499150       1.41597253 
O       3.04711664       2.11206942       2.51392582       0.75452064      -1.73266706      -1.20370044 
O       9.63980146       7.84659785       3.96614877       0.87514747      -1.51352225       0.48575445 
O       3.12131184       1.26199158       5.47078201       0.41459871      -2.42647361      -0.41344021 
O       8.28780781       6.41240091       9.14897358      -2.01401052       0.42911638      -0.67200948 
O       0.49763373       7.34692605       5.91840634       0.24062405       1.99901562      -0.72809600 
O       0.67297941       9.50751939       7.47949787       0.05696922       1.77278158       1.73224565 
O       7.08050266       5.28911055       7.06889015       1.33736244       1.86826365      -0.08575931 
O       7.09784939       3.95316532       4.80578529      -1.02774598      -0.87163303       1.33098456 
O       5.60521309      10.32371876      10.70408521       1.93181973       0.49312100      -3.72099204 
O       4.33387994       5.55653566       6.64352082       0.64819766       0.48585062      -4.79514078 
O       9.39664792       3.05911726       8.18112407       0.54848761      -0.92049443      -1.03092712 
O       7.50151555       3.47312389       2.20949268       0.88329175       0.58132454       1.05660501 
O       4.43413443       4.08959365       3.82504331       0.67506812       0.69766832       1.68851252 
O       2.05206076       4.68367086       2.21340151       6.39646465       1.51034278       3.30013263 
O       0.73076120       0.32313377      10.41668874      -0.27756627      -1.95024255      -2.62097586 
O       9.13444527      10.53780981       5.76648164      -0.42909315       0.15735714      -0.08003992 
O       2.58435756       4.69989200      10.21304270      -1.53818776       0.54624117      -0.95055920 
O       8.64413947       7.08309625       1.60343211      -4.09230724      -3.10471231       4.07098793 
O       1.14503544       9.76371153       4.02401112      -0.60256629       2.57402346      -1.18767836 
O       8.21695723       9.88820806       2.91169871       0.83826829      -0.72852385      -0.28129625 
O       0.16343809       6.26706396       0.19916898       3.29343611      -3.21103019       0.37229722 
O       8.33973010       8.13411624       6.33904566      -0.03303345      -2.70378844       0.95797370 
O       1.20991382       7.50547737       2.69295517       2.35875752      -2.69405197       1.15138535 
O       9.46589566       0.91730348       0.62804047      -1.81527150      -1.71170538       1.15677837 
O       1.99603813       8.60987332      10.18841602      -0.80319888      -1.58463988      -3.10804179 
O       2.46786531       1.69770355       9.36244821       1.20132772       2.18860446      -4.07449461 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.019135818686888184 0.0012728036993710202 -0.00247123925577132 0.0012728036993710202 0.00746949711700599 -0.001635081286289108 -0.00247123925577132 -0.001635081286289108 -0.0030772936366642058" pbc="T T T" energy=-919.2907174 free_energy=-919.29073439 config_type=amorph 
Hf       9.31180762       3.50138930      10.31250337       2.30248429      -0.66000672       0.61729333 
Hf       3.97816579       6.27070660       2.63118485      -0.69779666       0.13303149      -0.39668037 
Hf       7.83695382       8.05566208       3.38727785      -0.84601890       1.22059297      -1.05678534 
Hf       7.37483353      10.32401774       9.68765435       1.92841069      -1.80052907       0.91021445 
Hf       3.81010376       3.86067367       8.92703359      -1.09887360      -0.71767708       1.47786348 
Hf       0.19731754       3.87059226       6.90163703       2.71369026      -4.75826958      -2.26941973 
Hf       2.28776770       1.25171038      10.42059616      -0.44553463      -0.94905200       1.18514838 
Hf       3.67840153       7.01805035       6.03736374      -4.46563767       2.17534005      -0.44173614 
Hf       4.82310846      10.76886621       1.68308513       2.21553929      -1.73234169       0.42681742 
Hf       1.14326379       5.23425932       1.13758624      -0.13170000      -3.07669545      -1.36272920 
Hf       1.75765206       9.25509333       2.02529842       0.45390283       0.01852569       0.59908562 
Hf       0.70826497       1.62030669       4.29776896       3.71446129       0.02600328       1.75490773 
Hf       9.37082183       7.04607269      10.65837981      -2.98052915       3.37673579       0.22448009 
Hf       9.22256332       6.16984209       7.19162991      -3.51507472       5.22470021       4.88154485 
Hf       3.94320016       2.84158854       2.62646559      -3.09686493       2.72198600       0.21393177 
Hf       8.56657608       2.87568696       3.77406943       3.35363719      -2.20417664       1.12005013 
Hf       9.91008678       0.28522520       1.50080148       0.13639303      -0.01380940       0.41243940 
Hf       5.96981502       6.79658707       8.52328916       1.69966909      -0.11735737       3.02501329 
Hf       6.01795148       1.77571216       4.80288588      -0.33395371      -0.80325624       0.61969295 
Hf       3.37886254       3.69742622       5.57723299      -0.82809699      -2.00043498       0.46855079 
Hf       4.27117967       9.69251843       4.63604812       4.63127552      -0.05819751      -1.08201751 
Hf       1.67599777       6.39621028       9.01754189      -4.23129566      -2.45860553      -0.09757875 
Hf       0.39026626       6.14155019       4.22465527       0.32876295      -1.89544215       0.08589832 
Hf       3.50616262       8.58914559      10.04381003       8.75694554       2.50065269       0.69115664 
Hf      10.69015639       9.17221075       5.60702458      -1.05451140       0.64024459      -1.75871575 
Hf       6.99127107       4.91926598       1.14234838       1.27314619       3.71247030      -3.80254325 
Hf       9.45148873       1.26221109       7.43087049       2.17477679      -3.12128369      -0.73141195 
Hf      10.85397184       9.45380146       9.20994193      -1.01138724       0.59580386       1.53320045 
Hf       6.23566020       5.35616194       5.30171490      -1.67573015      -4.32500454       5.12282861 
Hf       7.47610667       9.78096576       6.52564743      -2.71755593      -3.81064489       0.47330103 
Hf       6.56815682       3.02045233       8.03208532      -1.79255995       4.77682748       1.66500696 
Hf       2.45955216       0.40920410       7.37743753      -1.53127296       2.42579170      -3.58828865 
O       0.18088111       9.51131890       0.83169628      -0.18822039       0.38469132      -0.80739444 
O       3.20653537       9.25376158       6.11830465      -0.75472810      -0.67445385       2.20946276 
O       0.03289250       5.22019469       8.19697241      -0.22189652       1.40895454       1.90936868 
O       3.36386003      10.32196296       3.06307886      -2.76772090      -0.26952376      -1.87816350 
O       3.13799872       7.28789784       8.27984945       4.01060292       1.14455497      -2.88067086 
O       3.05379395       7.72512481       1.38881669       0.34930058      -0.06767013       0.36044740 
O       6.79091169       8.93781884       8.49059099      -1.71074539       0.77738917      -1.60454207 
O       7.09958576       1.21649864       7.93960322       4.10306446      -3.54436399      -0.85070029 
O       4.09443624       7.73586784       4.14766292      -0.46914393       1.19260295      -0.13770094 
O       5.10873371       4.97692868       1.60874489      -0.67557148       0.15993317       0.57389237 
O       5.74470704       9.49458762       2.91634838       0.12297766       0.56858984      -2.44470347 
O      10.31071153       5.40115614       5.92035473      -0.72561553      -1.76536869      -3.33316991 
O       6.68258158       6.19403289       3.81116518       1.67636821       2.20128476      -4.14293168 
O       3.57129874       2.54888515       0.81444052      -1.08614333      -2.45493786      -4.61575299 
O       0.35169035       4.49129589       2.77447917      -3.13908401       2.67756799       1.46631567 
O       5.75375668      10.85575609       5.64027892       1.16749741       1.23046261       0.46384472 
O       9.09804323      10.05757546       8.47158095       0.07015646       3.17613946      -0.74202991 
O       7.37036635       3.44108948      10.29509074      -2.25450897       1.30219849      -0.60490405 
O       0.88435355       1.58582656       6.26737456       0.40998183      -0.71751527       3.65677316 
O       8.65555754       9.03931259      10.84213472      -0.32906043       1.70552641      -1.51645061 
O       1.27935611       3.94016081       5.20750696       1.38820310       0.07221146       0.43747282 
O       9.03424028       5.34821823       0.48334752       0.43371285      -5.47732858      -0.42858596 
O       9.71809830       2.37607672       5.74019709      -0.88966115       1.56780213      -1.02373293 
O       5.18696466       7.32060024      10.24738496      -1.94872844       1.78440650      -0.39841483 
O       0.42895063       3.95965515      10.59673836      -0.55603535      -0.88793661       1.48086606 
O       6.47500402       8.62462396       5.16835447       2.99953042       0.67227910      -0.39605487 
O      10.39709061       1.97504877       2.82915410      -3.74301775      -0.66281975      -0.49025064 
O       7.67018022       1.24421407       3.40022830      -0.93199830       1.33971526       1.81469451 
O       1.22578051       0.77379419       1.41331624      -0.90835210       0.06867826      -1.04299153 
O       5.38408364       4.93472489       9.01436782       0.89318321      -0.19429951       0.64259205 
O      10.46945674       7.49610583       8.91733614      -0.43915881      -0.36524516      -1.08902435 
O       3.38937606      10.60143276       8.82762177       0.36789579      -1.88367528       3.05675365 
O       3.10703703      10.27515206       0.47616343       0.86449110      -0.46888450       0.08764276 
O       2.81066441       4.67986212       7.51510414      -2.06374798       0.86544032      -2.73222320 
O       4.03971007       5.53498328       4.57458439      -0.50737005       0.03477435       3.23452366 
O       4.88302364       2.21880928       8.50552456       1.02862373       0.93581908       0.94339885 
O       5.54873764       6.87774923       6.53480532       0.68479472      -1.02970675      -0.05747465 
O       5.04068473       1.33079345       3.21776400       0.28056581      -1.83757080      -2.92966721 
O       2.63705337       2.12417339       3.90551371      -0.81153903       1.24709474      -0.90834652 
O       9.48950890       7.47931353       4.69855156       0.83067433      -0.08611193      -1.82944429 
O       3.63272100       1.56723667       6.04629918       0.35905841       0.86768206       0.69945909 
O       7.68311612       6.45276215       9.30694071       3.01408276       0.53443378       0.65187721 
O       1.69624098       6.75012346       5.64668407      -0.73541904       0.22910436       0.12621583 
O       0.63742134       9.62889472       7.28966471       1.01058770      -0.74504668      -0.66456104 
O       7.55396937       5.11328948       7.25187654       0.07367338      -0.14063396      -2.15556966 
O       7.35765322       3.21524109       5.39847820      -1.05596557       0.52880314      -0.59653708 
O       5.85952273       0.08379798      10.65601747      -1.39529115      -0.17876075       2.69392446 
O       5.12295533       4.10071697       6.74518230      -0.23668637      -1.67231092      -1.60305734 
O       9.54676113       2.93603184       8.33528507      -0.15654820       1.64757695       0.38472350 
O       7.75259033       3.77942227       2.34673816       0.01594431      -0.34838601       0.64514953 
O       4.95773702       3.64568230       4.07341137       2.57449025      -1.18225139       2.44929418 
O       2.57977433       4.71642624       2.55017543       3.50327870       1.97375979      -0.36323163 
O       0.55756444       0.56073732       8.94328839       0.52202131      -0.07478649       1.25640853 
O       9.09443501      10.70902138       5.91022911       1.35423180      -0.91281660      -1.03376347 
O       2.56343029       5.15547828      10.19003611       1.08114401      -0.07280309       0.73070858 
O       7.84494736       6.95918618       1.45429250      -1.08602996       0.73736812       2.56882375 
O       1.05852717      10.44689331       4.49310380      -2.21171743      -0.84476110      -0.38122147 
O       8.85328751       9.65007407       2.74965415       0.73498557       0.33974432      -0.00869520 
O       0.46545765       6.84778415       0.34299321      -0.78574799      -0.52074869       0.43690698 
O       8.73909041       8.11188284       6.86858125       0.47728893       0.04918118      -0.54685324 
O       0.95572306       7.69454461       3.26646445       0.76981412       1.69007187      -1.51992535 
O       9.06611945       1.64326106       0.16981414       1.17505376      -2.18198240       0.88451809 
O       1.83983299       8.17062608       9.93304397      -7.15270185       0.97114287      -0.18801834 
O       2.32113126       2.23881701       8.63421328       0.30872964       0.01994166       1.12336752 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.011668306288644605 -0.007971630489541593 -0.0029058609703562594 -0.007971630489541593 -0.002914691625988305 0.024605469770439932 -0.0029058609703562594 0.024605469770439932 -0.03691990090984107" pbc="T T T" energy=-918.29959058 free_energy=-918.29967546 config_type=amorph 
Hf       9.31898617       2.92181988      10.32202495       2.18451737      -0.10844093       0.56543920 
Hf       4.31282467       6.77037449       2.54874120      -0.81680498      -1.82148163      -0.44017059 
Hf       7.46545777       8.02238201       3.46598029       0.99532109       1.18242989       3.01087254 
Hf       7.48660423       0.41208896       9.67254392      -3.65398502       1.93091733      -0.24651728 
Hf       3.39826514       3.68127195       9.06674445      -0.94101444       2.84869444      -4.72206929 
Hf       0.76287411       3.37000451       7.14526814      -0.66896278       2.00886108       0.96430277 
Hf       2.17197005       1.38356764      10.46445065      -1.28892636      -2.01162410      -1.11958984 
Hf       3.30855587       7.09091750       6.40453732       0.22336794      -0.78780024      -2.69536308 
Hf       4.77421086      10.15073890       1.46997723      -1.28397311       0.09215174      -2.91650132 
Hf       1.25712120       5.05410015       1.68690027       0.72826736      -1.34928077      -1.08729548 
Hf       1.18900621       8.50186032       1.52472858       0.82570951       0.38568103      -2.41451292 
Hf       1.70854091       0.88651733       3.64138123      -3.82152432       1.21107706      -0.04417239 
Hf       8.66883976       7.83552957       0.03563905       0.47279556      -0.69611504      -1.03531380 
Hf       9.20824932       6.61633117       7.71010265       3.85572705       1.04610787      -0.02426495 
Hf       4.10133980       2.97461698       1.76083503       0.59295668       3.37971902       2.25419066 
Hf       9.41949937       3.25346135       3.70680970       1.06976655      -0.79858566      -0.38087313 
Hf       9.58627970       0.01208074       1.69203740       2.06885356      -0.31955557       3.33767147 
Hf       6.07192779       6.32897031       9.04102171       1.73590145      -0.71684504      -3.11359897 
Hf       6.46488057       1.27862363       4.19418537      -0.96688642       2.61365500       0.72928541 
Hf       3.37896687       3.72133182       5.15463029       1.61351890       1.20854374      -0.11178186 
Hf       4.34411477       9.60048427       4.53793841       4.56677039      -3.77011816       3.24589836 
Hf       1.14731310       6.49663000       9.65932510      -2.14147225      -1.65123603       0.07585897 
Hf       0.57858029       6.29332974       4.63453376       2.40345159      -0.29740317      -2.83432894 
Hf       3.53028286       8.69551113       9.41898695       1.48379171       3.87416349       3.23060309 
Hf      10.50900821       9.08310737       5.50278483      -2.71053930       2.16541464       1.76719376 
Hf       7.58499013       5.17616204       1.91252165      -5.65960527      -2.02996426       3.20508985 
Hf       9.52749347       1.32810759       6.89888266      -0.95659866      -1.38549093      -2.62481522 
Hf      10.51046480       9.85457776       9.34054094       2.27286854       4.17853535      -0.49362324 
Hf       6.59758006       5.61499663       5.44966019       0.89063045      -1.19172909      -3.06039927 
Hf       7.12820530       9.74510622       6.86082438       3.96813769      -0.84361402      -4.49983388 
Hf       6.15335800       2.93908345       7.79407075      -0.41815798      -4.22313756      -1.64997932 
Hf       2.78749324       0.44748733       7.18562113      -0.46940939       1.07037683       0.91285671 
O      10.11251593       8.89442021       0.72992852       1.78233770       2.55351054       1.02277624 
O       3.66079696       9.54708942       6.31977508      -0.88901017      -0.94998906       1.95998136 
O       0.08221219       5.30163423       7.98263524       0.53197638       1.48425715       3.25282933 
O       3.10317998      10.29619581       3.51811125      -2.92264767       2.23864689      -3.99367481 
O       2.77033780       7.11652407       8.78862191      -0.33061787      -1.22023636      -4.03614690 
O       3.21673319       8.26135911       1.09436738       4.30393594      -0.39561479       0.98556630 
O       6.41926745      10.53044290       8.34926427      -3.70985055      -1.77995658      -0.95671289 
O       7.51358327       1.21974524       6.73227419      -1.74035099       1.32453131      -0.34116560 
O       3.61775963       7.60396542       4.38854335       2.25838852       1.22647605      -0.30177205 
O       5.14414478       4.94174994       1.30551452       0.79638471      -0.89719822       1.77267595 
O       5.63773897       8.66809675       2.85064155      -2.69062458       1.88958350      -1.15258881 
O      10.17598440       6.13080586       5.89985998      -2.25398270      -0.54676250       1.76545451 
O       6.22149590       6.34684661       3.38554160      -1.21677837      -0.38251012      -0.43980222 
O       3.89555462       2.87441590      10.59965612       1.40872110      -2.86484625       3.65219772 
O      10.63193892       4.87353485       2.96317285      -0.94365706       0.57628705       2.86556923 
O       6.39126813      10.31217877       5.04935158      -2.14012797      -0.03025352      -1.44438564 
O       9.14955418       0.22730379       8.51338348       0.87856454      -0.60514672      -2.46511760 
O       7.24877433       2.58893048       9.32012033       2.79761582      -1.45293038       2.08599031 
O       0.79088602       1.55124014       6.61047123      -0.39806078       0.15455687      -1.87429121 
O       8.33972902       9.41396436       9.91056696      -1.04052805      -1.59635886      -0.04712634 
O       1.79703026       3.04016303       4.45732937      -1.51825580      -1.83391592      -0.48024726 
O       7.98713140       4.04270382       0.53057454       1.46312846      -1.83300478      -1.40714662 
O       9.65311038       3.10352065       5.55891342       0.94198073      -0.49892512       1.75643895 
O       5.53744919       6.98757817      10.59637131      -1.14529058       2.34912585       2.53291209 
O      10.82519412       3.95160635       0.61441769      -1.45529191      -2.22957039      -2.58068350 
O       6.87647893       7.56538994       5.63109292      -0.76581092       3.05227192      -1.81711403 
O      10.62170539       1.85873076       2.86042096      -0.42124402      -1.80390127      -0.45604987 
O       7.90523198       1.82447992       3.09983687       0.67445831      -0.03521435       0.10481560 
O       0.74300468      10.25738638       2.28361992      -1.03496817       1.09881051      -0.19970515 
O       5.29482132       4.50441602       8.54960259      -1.48351869       2.12763614       1.48612824 
O      10.40415659       7.94997822       9.28540212      -0.54686058      -4.32634982      -1.29817268 
O       3.39640762      10.75849133       9.03533514      -0.45303771      -2.41288039       0.36974693 
O       2.96302499       0.06055223       0.73367234       3.65715673      -2.90926867       1.10836836 
O       2.57169090       4.30595987       7.16079784       1.04922995      -1.36888896       0.74970378 
O       2.30641340       5.65036492       5.31691934      -0.86912177      -0.36404078      -0.13129883 
O       4.42531125       1.87419153       8.12670058       0.28483250       2.82273669      -0.57818753 
O       5.08051488       7.75246722       7.94436178      -0.56108975      -0.29794561       0.33743056 
O       5.28953894       0.83533967       2.48970278       0.21904514       1.52481068       1.94009504 
O       2.25562733       2.12669923       1.41610557       0.59543013       2.69259792       3.74091922 
O       9.24827683       8.01637497       4.48459860       1.68676238      -0.82964457      -2.03617764 
O       3.69820821       1.35715910       5.65843782      -0.49612231       0.39993267      -1.74667600 
O       8.26821664       6.30883371       9.67738705      -1.28045305       0.16866916      -1.56821626 
O       1.36948303       7.88464256       5.65903590      -0.56479156       0.77862720       0.65862478 
O       1.04127738      10.45556483       7.72199579      -2.14774261      -3.59997915       1.50267687 
O       7.70590688       5.81807835       7.06088836      -2.00862908      -1.39955702       2.21440252 
O       6.54624901       3.72052976       6.10773381      -0.19036654      -1.12287290      -0.77870810 
O       6.14579492      10.73921064       0.12223939      -2.49387981      -1.57246924       2.39416558 
O       4.72950685       5.60034271       5.73980419      -2.91031911       0.74540213       1.33375868 
O       9.98642329       2.71641055       8.44519272      -0.49081712       1.43612961      -0.33217768 
O       7.74085286       4.51040125       3.86728552       1.47964164       0.04746603      -1.78673839 
O       4.81507052       3.13747295       3.87241222       0.92671875      -1.74323924      -1.44640467 
O       3.04378992       4.81170331       2.88495982       0.60206710      -0.40581426      -1.51920197 
O       0.25123892       0.93526348      10.12652248       1.52846759      -1.24787961       1.68912237 
O       8.98073795      10.66622158       5.43647514       1.40822237      -0.55359177       1.94962110 
O       2.57823804       5.21425104      10.50440619      -1.64971378      -0.54327858      -0.77864412 
O       7.86461898       7.01038695       1.69069186       1.50459280       2.53713211      -0.49196763 
O       0.57593981      10.59805437       4.74627776       2.07400646       0.91107241      -0.67291003 
O       8.43250402       9.58259722       2.64392284      -0.47472309       1.61381745      -1.57262406 
O       0.32215822       6.48036033       0.66622360      -0.25769405       2.08975148      -1.26989986 
O       8.84451991       8.54536698       6.96077870       1.15194935      -0.56444026       1.96298787 
O       1.76465647       6.98925233       2.59420091      -0.66670588      -1.26495378       2.30190383 
O       8.94289875       0.70772053      10.81581596       2.10129251       3.36745528       5.11723442 
O       1.67530372       8.82352186      10.38275511      -1.06444266      -0.45324542      -2.02489260 
O       1.74114094       2.33119478       8.61986421       2.76152634       1.63512639       1.67111784 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.020686529268821047 -0.0039097302311602924 0.015515970104211872 -0.0039097302311602924 -0.01871713763057302 -0.0058065156108412 0.015515970104211872 -0.0058065156108412 0.011561494506611142" pbc="T T T" energy=-910.86385036 free_energy=-910.864652 config_type=amorph 
Hf       9.45474781       3.51854083      10.41826128       2.83666166      -0.56661324      -2.28587089 
Hf       4.14534672       6.24261956       2.46897234       0.64017773       1.63700622      -0.32663086 
Hf       7.98532208       7.97417249       3.16513811       1.01276569       1.05211321       0.25042654 
Hf       7.18093770      10.24465219       9.53264492       1.94759047       2.17499734      -1.59988842 
Hf       3.83067201       3.68413130       9.12052491      -1.07688858       1.27417541      -0.62789938 
Hf       0.40803378       3.64956747       7.10974742      -1.66942294      -1.66245670      -1.77259943 
Hf       2.01162830       1.15079800      10.32322924      -3.74550084       5.24833101       1.92784584 
Hf       3.46851938       7.05010181       6.20224540       0.81562415       1.78129144      -0.00648782 
Hf       4.66313659       0.13333481       1.50464322       4.14336941      -2.16705721       2.24016843 
Hf       0.88522010       5.11876554       1.12602019       1.53377974      -0.34195749      -1.15970119 
Hf       1.94756697       9.15276429       2.23522258      -0.68312876      -1.81723097       3.95809195 
Hf       0.75843776       1.44878366       4.32030710       1.06637560       4.51691399       1.75091936 
Hf       9.17493885       7.43929340      10.77522663       3.38714792      -2.13213963      -1.94245531 
Hf       9.12094755       6.37284434       7.34287554       2.52036912      -1.10776769      -0.67687554 
Hf       4.01496560       3.06790201       2.39939304      -5.44819789       0.61102789      -3.69979822 
Hf       8.57029438       2.89642153       3.94987411       3.48591954      -1.15852763      -1.37505454 
Hf      10.19112262       0.46801899       1.45614492      -3.03172281       2.38355163       1.34865524 
Hf       6.15543797       7.00117403       8.86401588      -0.76918295      -4.56199719      -4.19217678 
Hf       5.98584216       1.75184901       4.63633038       0.36251798       1.31657379       3.41251244 
Hf       3.32290451       3.46829563       5.68887472      -0.98369924       2.45137737      -0.73380425 
Hf       4.62632711       9.82729583       4.42365641      -0.77711378      -0.39087976      -1.48305116 
Hf       1.39487302       6.59422327       8.98973136       0.91301429      -4.36031412      -2.14176154 
Hf       0.39154633       6.12123815       4.34855481      -1.04112409      -0.53547483       0.73508149 
Hf       3.48192655       8.37300963      10.07455427       2.18071649      -1.51963965       1.33128257 
Hf      10.59871845       9.17245437       5.51455975       2.82158975      -1.97262014      -1.37599932 
Hf       7.26632114       4.98581982       0.72204745      -1.72457109      -1.78630397       0.55546325 
Hf       9.54889929       1.06614464       7.48671095       0.67997952       0.30217473       0.33765117 
Hf       0.11472678       9.46270910       9.30776406      -2.75606484       3.06820311      -2.66039297 
Hf       6.17134374       5.24780166       5.34531350      -2.38242913       2.20838523      -0.03526573 
Hf       7.48391641       9.60499292       6.60313092       0.28867536       0.40067937      -2.69488181 
Hf       6.53912257       2.97962459       8.17701765       0.47284617       0.17600461       2.79340299 
Hf       2.33767147       0.60258208       7.42496615      -0.55811794       0.06054824      -4.25117368 
O       0.25102700       9.94972282       0.50203859       2.69241942      -2.31896362       0.12011212 
O       3.71452184       9.31624917       5.94090680      -1.53773317      -2.08090485       3.37219049 
O       0.28074814       5.32484025       7.95752556      -2.31642526       2.24144966       1.75874383 
O       2.90307616      10.63102786       3.48825679       0.81252792      -1.94508201      -2.17386760 
O       3.55684034       7.49091497       8.26354894      -1.29324921       0.51134980       0.43828951 
O       2.63458365       7.32656364       1.30824793       1.21397165       1.55140858       0.32417275 
O       6.11879417       9.03291711       8.25024262       2.32882044       0.52883251      -0.02262283 
O       7.61034353       1.40914360       8.20899594       1.36304113      -4.47156400      -0.62861833 
O       3.76126891       8.03008395       3.73094568       0.18762885      -1.31007567      -0.28494453 
O       5.28530420       5.16373715       1.04457500      -0.66684171      -0.31145942       1.06199369 
O       5.66403970       9.68814462       2.66817584      -0.56394224       1.40933756      -1.83834977 
O       9.69668901       4.93049135       5.78792046       2.24291246       1.50807471       0.37826833 
O       6.02357193       6.27499682       3.29533966       1.97057435       0.10521810       2.39916243 
O       3.60381094       2.24745998      10.61725472      -0.01725247      -0.42050645       3.77465015 
O      10.67245378       5.14368718       2.72326960       1.74056534      -0.90349511       3.04006968 
O       5.96930303       0.19173444       5.90756529       0.38103988      -0.42014384      -1.36628910 
O       9.03715684      10.01409182       8.25061554      -2.58010047       1.90367823      -2.11518592 
O       7.61730148       3.66136149       9.77880372      -1.54755979       1.59610537       1.84657630 
O       0.63248268       1.21877055       6.64823737       2.35996468      -1.21394095       0.41517273 
O       8.68618964       9.24287047      10.30901218      -1.20343028       0.72392207       2.23897446 
O       1.27564519       3.43559887       5.32575750       1.42940946       1.77020848       1.38045086 
O       9.41595390       5.04153674       0.88339667      -0.92999729      -1.92801901      -2.77674450 
O      10.03899154       2.32131169       5.56621128      -3.49084485       0.97836789      -1.00628601 
O       5.32232961       7.55930625      10.41034124      -1.04800079       0.99923421       1.79428534 
O       0.75289309       3.65881122      10.61217796      -1.21384157       0.43731497       0.13957643 
O       7.13310228       8.72885243       4.83197213      -1.13715224       0.01396143       0.04737157 
O       9.92655469       1.37334355       3.38480163      -0.97169026       2.40819915      -3.45962950 
O       7.54073449       1.20298171       3.70872889      -0.33633212       1.65919894       0.54412582 
O       0.97861804       1.55415421       1.25770386       0.97492955      -1.76990909      -0.10797384 
O       5.27842713       5.01456345       9.05356743       1.11010322      -0.60562100       0.22526371 
O      10.08636111       7.79888338       8.80168505       0.94984559      -3.11576687       0.05201795 
O       2.40199021      10.61491626       9.09210849       2.01955151      -3.57589810       2.83491236 
O       3.46988522       9.66719477       0.87649636      -1.69697893       0.82278312      -1.72313117 
O       2.86351210       4.63896153       7.50488211       0.26903751      -1.34500254      -1.37684295 
O       4.08223521       5.32082405       4.97517451      -0.91534425       1.90444026       0.80388858 
O       5.15039859       1.74528720       8.87471982       0.56320531       2.77915329      -0.07135464 
O       5.31884113       6.49569136       6.91580013      -0.44263940       0.65332581      -1.63776673 
O       4.64483830       1.37267089       3.33796619       0.58151597      -3.02024910      -2.90582935 
O       2.42203713       2.64920500       3.53502741       1.27268352      -0.73648795      -0.41792892 
O       9.63568038       7.09390017       4.18941161      -3.31473262       1.96746960       0.04846607 
O       3.57941995       1.76072267       6.49417733      -0.70271190      -2.32800205      -1.65162236 
O       8.17544185       6.17685258       9.31120096      -1.32457735       2.09814718       0.99717439 
O       1.54590153       6.58377381       6.12609724      -0.43999153       0.41883253      -1.31594519 
O       1.00077772       9.29127465       7.16925126      -1.42036738       1.27938683      -0.64611126 
O       7.43576595       5.68599941       6.88230131      -0.58090263      -0.54451254      -0.32187631 
O       7.17513768       3.55299296       5.16924806       0.64213373      -1.68856188      -0.67392202 
O       5.98895902      10.45640283       0.08351518      -1.52490262       1.12983433       1.50083924 
O       5.28240772       3.20982550       6.79721142      -0.94902313       2.94820143      -4.07771645 
O       9.48753381       3.12006217       8.09548919       1.93852466      -0.76395850       0.49840562 
O       7.49942190       3.36063884       1.77563302       0.61010637       0.70214151       1.76922838 
O       4.96988344       3.61381518       3.75915322       3.61143263       1.81419329       4.61844941 
O       2.81673561       4.80838473       2.11348324      -0.31474402      -0.57440504       0.46164256 
O      10.72614773       0.56141823       9.16286961       1.81742776       1.95033175      -0.72765066 
O       9.29554337      10.44259766       5.70865121      -2.78009624       3.42294336       1.31209976 
O       2.64353212       5.67138577      10.12156938      -0.58607482      -0.46773361      -0.11368942 
O       7.99895789       6.86819737       1.21795556      -3.59618513       0.91764850       3.70664800 
O       0.48469469      10.53041315       3.95837746       0.41773674      -4.44667552       0.70756331 
O       9.03133457       9.50506564       2.55958214      -0.67137264      -1.03229237      -0.62392964 
O       0.17216747       6.80417914       0.48783413      -0.18002743       1.80338055      -2.03614785 
O       8.88553352       8.22860318       6.53890490       1.25477646      -3.04554806       0.24845282 
O       0.85319731       8.10475434       3.59411914       1.39044996      -1.06599607      -0.00479426 
O       9.32655425       1.73214004       0.04045168      -0.19502782      -3.35006652       2.82335354 
O       1.59719784       8.31620263       9.67598506       1.12056984       1.55836325       2.15685586 
O       2.16061592       2.45910607       8.51600692      -1.28815953      -2.39263258       0.81728456 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.018230402766341504 0.019948402676130225 -0.016551639747906625 0.019948402676130225 -0.013229798428475483 -0.0020279292231699503 -0.016551639747906625 -0.0020279292231699503 0.0053579133090293565" pbc="T T T" energy=-920.96496901 free_energy=-920.96520849 config_type=amorph 
Hf       9.01456681       3.34108957       0.65951415       2.63435565      -9.21036130      -0.01720793 
Hf       3.37993711       7.28880337       2.61260288      -1.45683640       0.26650289       0.74854927 
Hf       8.09766763       7.86854214       2.65504724      -4.09040659       0.15286255       0.19559440 
Hf       6.12156667      10.03943057       0.25657450       0.34743515      -1.76245193       0.23828071 
Hf       4.04337442       4.31977611       9.61286606      -5.83944502       0.90164457      -2.78678240 
Hf      10.07197002       4.06572713       8.44871365      -2.81262708      -2.63238860      -2.66754791 
Hf       0.70510816       1.34567155       9.67862783      -0.14702489      -0.68527874      -1.94540013 
Hf       4.09905377       6.31563598       6.51784963      -0.12900575       1.41167729       1.10548538 
Hf       4.65337867      10.15121039       3.43256788      -0.06943506      -3.97203588      -3.09781896 
Hf       1.19372872       3.97033629       1.46387226       2.35649750       3.03874506      -2.13100166 
Hf       0.85746082       8.89183259       1.04995107       4.32787386       2.58657275       1.66521028 
Hf       1.64894469       1.36506384       3.64566146       0.06998068      -0.18081280      -1.13779113 
Hf       8.92288320       6.27157185      10.77587529      -0.39009108       0.85102068      -1.41968744 
Hf       8.95319482       6.58543157       7.42052329      -2.61994087       5.99808251       1.85764001 
Hf       3.81975604       1.46516819       1.00898643       2.98183620       4.26034153      -4.58122283 
Hf      10.04795965       2.88300784       5.04782604       1.45622788      -0.87309437       1.85428338 
Hf       9.33621294       0.28156758       2.20238274       1.11039814       0.69343722       0.78594808 
Hf       6.00353825       7.01022574       9.01081724       1.72203868       0.27970389      -1.09859685 
Hf       6.59307239       1.85180517       3.63339626       3.86325877      -2.75714229      -1.51588480 
Hf       4.22696615       4.27371745       3.93586213      -1.59806213       0.14582632       0.49600745 
Hf       6.53716940       9.54887052       6.06420002      -0.16843251      -1.73878444       1.22628922 
Hf       1.28405225       7.13001810       8.29367752       1.76421679       0.07336107      -0.45719667 
Hf       0.51681736       6.34363671       4.09540061      -0.41644222      -2.42731215      -2.06838058 
Hf       3.49847143       9.98219355       9.03196457      -0.34097969       0.29068168      -2.38046993 
Hf       2.26004641       8.86109487       5.49893636      -3.04396861       1.09111118      -3.08157163 
Hf       5.87782721       4.94299245       1.27435708       1.01077693      -0.14886171      -1.49453112 
Hf       8.18867630       1.38208184       8.23782143       0.98145382      -1.07279993       0.46803401 
Hf       9.48773649       9.54220330       9.31213743       0.20205888       0.51231844      -0.25947821 
Hf       7.83593180       5.34215539       4.65536745      -2.25570929       3.90770990       0.91053001 
Hf       9.60142660       9.85965778       4.92571976      -1.47617563      -3.52871363       5.22503902 
Hf       6.13475823       3.79338127       6.96267096      -2.69336032      -4.20108433       2.20654203 
Hf       2.43502547       1.61390177       6.34784008       8.14576227      -0.94531203       7.68090178 
O       9.66327291       8.98551823       3.20792759      -0.11319826       1.41390075      -1.52529835 
O       4.43142653      10.27964073       7.39802402       0.91906430       0.55643273      -0.74590798 
O      10.62493440       5.82152915       9.04811341      -0.78831406       0.46651561       0.57023805 
O       5.50065068       0.41832301       4.57668737       1.28102075       1.93192381       2.94538952 
O       1.95486277       8.42000009       9.51358821       0.53467778       1.31567135       0.34669180 
O       2.71298277       8.28007689       1.10037519       0.27712130       0.44499472       0.68619563 
O       5.25744113       8.66100602       9.55531073      -1.15679272       1.92814870       1.45616453 
O       8.24711480      10.70521318       6.94466644      -2.78209274      -1.84761206      -2.10476976 
O       5.50058587       7.93813262       6.82470277       0.52433308      -2.40222405       1.05753676 
O       4.71344812       3.46483983       0.30090276       1.32944770      -2.03914638       1.51515593 
O       4.01512551       8.26102668       4.50937185      -0.31568806       2.07506242      -1.98587832 
O       7.25961604       5.18843223       6.70209122       3.94636927       4.80262726      -1.18095896 
O       5.31817325       8.74859483       1.65108948      -1.42093373       1.02409294       1.15641838 
O       4.23439082       3.32336189       7.46613782      -1.77498626      -2.17165113       0.13531753 
O       0.18010445       4.17386909       3.95880802       1.71803020       1.50347486       0.13472961 
O       6.44007964       9.04606492       4.13236392       1.71459257      -0.30081070      -0.47391562 
O       7.83635867       8.04832861       9.13191139       1.09842575      -0.05654498       0.22897363 
O       7.84113297      10.73059753       9.79623871      -0.51083693       0.07671195       0.65077126 
O       0.82890826       1.53235257       5.75548415      -7.31162204       0.61884895      -3.66216041 
O       7.35995912       7.07574334       0.87118652       2.34394721      -0.15564519      -1.11557937 
O       9.63788943       5.23471203       6.44391487       2.55917164      -3.94779767      -1.42730364 
O       7.68025786       4.48432057       0.57186129      -3.34552778       3.96761109      -2.06130725 
O       9.29077526       2.44102393       6.95284780       0.32312634       1.74733070      -0.88056138 
O       5.05752132       5.91647858      10.37689094       0.70917950      -0.65677141       2.68064921 
O       0.04944954       2.09007041       0.65648577       0.42200589       1.36088689       1.43101516 
O       8.21194192       8.17720992       5.96801264       0.26635640       0.57238808       0.26952253 
O      10.54889361       1.73415574       3.47664700       0.36668221      -0.79019496      -1.27059268 
O       8.62416235       0.50920206       4.30519884      -1.81272873       2.28221129      -2.81920117 
O       0.54544559      10.54180918       2.29182017      -0.76876792       1.16448444       1.17108944 
O       9.27655017       2.47679207       9.62533296       1.58422759       1.97573008       1.15507658 
O      10.10119155       4.81367265       1.05285852       1.31621441       2.38753634      -0.20729780 
O       1.97533342       0.51248817       8.11199336       0.78392452      -0.26601350       0.00855984 
O       3.26237290       0.63475839       2.54827644      -2.21521248      -2.91696930       2.81568893 
O       3.19867765       5.89304186       4.69396996      -0.37977880      -1.32975482      -0.12601687 
O       1.62494106       7.99274230       3.64679801       0.07957964       0.43875629      -1.05291148 
O       5.58053430       5.18661596       5.17899522      -1.94689501      -0.14964405      -0.77844369 
O       2.85365191       5.88963079       8.28031171      -0.64559324      -0.22040767      -1.42281883 
O       5.77434263       3.19884082       2.65722145      -2.54564693       3.52576026      -0.56977963 
O       2.95995481       3.09943801       2.25842903      -1.98118367      -0.76201424       0.34373165 
O       9.35603155       6.78793607       4.02991514      -1.00722687      -1.70511860      -1.13665391 
O       2.78924676       2.98507437       4.96606396       1.40830379      -0.09372239      -2.26400957 
O       7.92238503       5.61573649       8.92315657       1.68127402       0.25777719       2.46803208 
O       0.76274307       6.87986514       5.82175573       1.42445826       0.95679895       3.74453901 
O       2.87315417       8.16097944       7.08300581       0.36050195      -2.24422340       1.99888655 
O       4.98857158       5.23802442       8.18538248       4.77662089       3.72230045      -3.56664207 
O       7.08495833       2.95971999       8.58789407      -1.96462274      -0.24003513      -1.62499290 
O       4.69169393       0.31819369      10.16333804       0.91488709      -0.57659533       2.07879375 
O       6.48393349       2.82911219       5.18902433      -1.17013730       0.30643029       2.58789361 
O      10.16518839       0.29708469       8.42272059      -0.05816476       0.09670705       1.37473325 
O       8.54929774       3.74114154       4.31248769      -0.77024171      -2.57801710      -2.24282457 
O       4.42770486       5.64351510       2.25831797      -1.81416742      -0.21625691       2.34196380 
O       2.62646266       1.46553676      10.27857843      -1.07530628       0.48179131       2.00505656 
O       7.81107377       9.58951457       1.47619445       2.51517161       1.80781225       0.77213477 
O       0.32311293       9.54616164       5.83503110       2.08017651       0.34172472      -0.02607109 
O       2.00880369       4.69747961      10.60875657       0.73057969      -2.35599298       1.27289118 
O       7.08054348       5.77592320       2.79210817       0.67093121       0.47017263       2.59665009 
O       2.60698851       0.00109888       4.94367814       0.85250020       0.36333733      -0.50312810 
O       5.65446092       0.59508446       1.88498536      -0.19206754      -0.54762697      -0.39336229 
O      10.55425622       7.64034574       0.48844046      -5.82400434      -3.67037848      -1.56714023 
O      10.32142209       8.05954497       8.23103511      -1.25771229       0.83637124      -0.84477904 
O       1.57312321       5.80537120       2.18533825       0.58771062       0.42737211       1.63913312 
O       8.14004197       2.10860591       1.96316876       0.91509130      -2.30404212       0.59986892 
O       0.39044289      10.31673138      10.65614959      -1.97138268       0.51768319      -1.76929670 
O       0.76678196       3.19649639       8.21052940       2.54980745      -2.02218338       0.46527041 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00241339254973605 0.017442772723799817 -0.002784597860236109 0.017442772723799817 -0.01953068546486183 0.010879174863565705 -0.002784597860236109 0.010879174863565705 -0.00816468910491794" pbc="T T T" energy=-923.62249332 free_energy=-923.62311939 config_type=amorph 
Hf       8.94876727       3.11170494       0.44813947      -0.32988428      -0.31797227       2.17511098 
Hf       2.80846643       7.04521536       2.77556166      -2.69911081       4.81085669      -0.87705295 
Hf       7.95253793       8.14560466       2.59442336       1.10476918      -0.75188007      -3.66674282 
Hf       6.11398111      10.15038422       0.73810651       1.17172959       1.72054525      -1.79431216 
Hf       3.62117797       4.38189079       9.36231554       0.14301709       1.36141042       2.36497862 
Hf      10.48902946       4.30321799       7.95905348      -1.08108669      -4.50458588       6.95485154 
Hf       0.37097179       1.26275771       9.78166231       1.32050566       2.58786621       0.04233416 
Hf       4.17850954       6.18078422       6.68029784      -1.67016825       2.28921158       0.01057903 
Hf       4.47332058      10.30663605       3.50147061       0.97310416      -2.88924143      -0.66046902 
Hf       1.02342692       4.36881289       1.39604735       2.90932805      -5.04571260      -1.60649499 
Hf       0.48349148       9.02451244       0.97078094      -0.69421846      -1.21397585       0.86002328 
Hf       1.76251940       1.05573795       3.73476603      -2.07339657       1.54991776      -2.92496461 
Hf       9.15529513       6.07452073      10.41316889      -5.59109150       6.69952301      -0.63535658 
Hf       9.52570488       7.00546772       7.26302428      -5.23311109       1.89498147      -2.47408037 
Hf       3.65715617       1.53915897       0.68945665      -0.03171883       1.92179273       2.44915154 
Hf      10.34243013       3.00423933       5.18719493      -2.74666808      -3.08277034      -3.16952064 
Hf       9.86812260       0.41353003       2.17173349      -2.28680263       3.34720185      -0.12746940 
Hf       6.02187833       7.04521720       9.36604915       2.46100318      -3.10331324      -0.63044706 
Hf       7.13375497       1.62858749       3.52988475       0.23905612       0.49691560      -1.54473283 
Hf       4.21525387       3.92258436       4.05185096       0.77098725       0.75465636      -3.23599327 
Hf       6.48626945       9.34605879       6.21579284       0.92288574       1.01038257      -0.50869492 
Hf       1.58535594       7.57560448       8.38073491       2.76521219       2.04967691       0.59385536 
Hf       0.61881723       5.77530439       4.78584747       1.31864378       2.88731959      -4.56911243 
Hf       4.10427286      10.06211505       8.80710715      -3.63337852      -1.45537726       0.48103319 
Hf       1.97233652       9.07637339       5.46436807      -1.54097482      -2.59603542      -0.05443644 
Hf       5.71040972       5.24824156       1.27678044       1.17621462      -1.24590558      -1.13302990 
Hf       7.86704842       1.30302657       7.90868148       8.59663903      -4.20687957       0.56165247 
Hf       9.22152231       9.62552013       9.44872361      -0.79780925      -0.48735178      -0.33610014 
Hf       7.60211550       5.10365076       4.06601689       3.92943476      -1.18051204       5.14714417 
Hf       9.25141758       9.73123092       4.99323037       5.16917813       4.49650635       2.47234015 
Hf       5.98638953       3.15793198       6.99721612      -0.51874907       2.83773264      -0.91356579 
Hf       2.77190101       1.93704259       6.62620720      -3.77090668      -3.37385627       2.05187027 
O       9.83459641       9.26179605       2.58541747       0.84269325      -2.23473097       2.12536825 
O       5.30642135      10.33192465       7.31713315       1.15601619       1.25157798      -0.19340762 
O       0.03022010       6.25755260       8.47437842      -0.25344973      -3.06031771       1.35933115 
O       6.08435203      10.75124221       4.65305190      -1.64225008      -1.61729351      -0.81764113 
O       2.74357372       8.72729649       9.53940062      -0.36808487       0.45554411      -1.62694581 
O       2.27959644       8.45877717       1.24926130      -0.00291679      -2.12670079       1.79038968 
O       5.33532511       8.63301767       9.81694690      -0.72725429       4.39441507       1.22758512 
O       7.98324189       0.26098935       6.20502778      -0.55779012      -0.53464648       0.82799914 
O       5.28960506       7.87358015       6.88106325       1.97772585      -1.79209683       0.28002023 
O       4.67515784       3.42331414      10.79264523      -1.74885585      -1.56768825       0.03062122 
O       3.53325783       8.22797036       4.12295286       2.00173790       3.41308328       0.86351313 
O       8.12881844       5.86728264       5.88590478       0.03748441       1.12890401       1.34680362 
O       5.48670959       8.97830884       2.15138845      -0.45622241      -0.17504947       1.18292729 
O       3.88492852       3.23070479       7.45324317       1.96216729       0.68830284       1.03875124 
O       0.73196789       3.88985308       4.04736066       0.32614255       1.52107764       0.50381956 
O       7.83488134       8.59137396       4.53482176      -2.56035501      -1.87083650      -0.57440211 
O       7.91579392       7.60822752       8.99391215       2.72314765       0.80688095      -0.66704864 
O       7.47890077      10.79049078      10.02815645       2.18789269      -1.15314273      -1.68785385 
O       0.84756122       2.19201296       6.34783975      -0.40568547       0.60398481      -0.16042383 
O       7.02595628       6.70274445       0.59310404       0.55320967       1.04906348      -2.78803533 
O      10.48558039       4.85274568       6.21029843      -0.29543034       1.07691725      -0.87173168 
O       7.36569551       4.20183617       0.59408350       0.33705538       0.53268502      -0.57915266 
O       8.43517707       2.90699726       6.95539655      -0.45816602       0.70855298       0.08211618 
O       4.85144118       5.90488713      10.40107403      -1.71350128      -0.88064608       1.04570820 
O      10.79334763       2.20281764       1.27505992       0.38327140       1.84045173      -3.31936307 
O       8.84435957       9.09170322       7.01991439      -0.38603495      -2.45240503       0.53460118 
O      10.71416957       1.71142187       3.69610348       0.02855599      -0.98979024       1.03723787 
O       8.65428192       0.33096316       3.76629367      -0.59543749      -0.24984123       1.77233660 
O       0.85025317      10.75596353       2.38831412       1.15914734      -2.06804159      -0.76270089 
O       9.50156077       2.56919632       9.55170989      -0.11333723      -0.78244426      -1.85489026 
O      10.08086789       4.88234739       0.55285039       2.21184691      -2.74312550       2.10675728 
O       2.62074841       0.16402075       7.42774787       1.39050872      -0.24561189       1.51390198 
O       3.10726121       0.22242451       2.31821828       2.22802128       1.80578191      -0.57707271 
O       2.64021995       5.84461521       5.40665847      -0.44058516      -2.21188228      -0.88345039 
O       1.17720523       7.60862920       4.16963196       0.17106671       1.19650085      -0.77814022 
O       5.17507271       5.19406266       5.21894707       1.32136675      -1.51866660       0.25843693 
O       2.79999043       5.97546489       8.29644980       0.62894375      -1.35124411      -0.15439490 
O       5.84516856       3.55346705       2.89120592      -0.71192272       1.69740812       0.30247441 
O       2.63717789       2.99407104       2.09604086       0.02842519      -0.55592058       0.03968368 
O       9.50707146       6.14648299       3.73106368      -0.39641192      -0.33051843       0.02097450 
O       3.09981494       2.43810270       4.81413177       1.14769299       0.50167490      -2.05542698 
O       8.64533410       5.18487601       8.71070851       1.99489232      -0.55857400      -0.70172854 
O       0.46010654       7.91108356       6.50993589      -2.80827268      -2.00763686       1.60945050 
O       2.87296462       7.96619675       6.87431938       0.32487167       1.27364060      -0.10429778 
O       5.30123342       5.04584009       8.16324451       1.14606399       0.21135438      -1.80215873 
O       6.25720052       1.83664545       8.46920894      -4.50533146       3.19567310      -0.92851188 
O       4.65383616       0.31046418      10.31435123       1.28924213       0.21524535       1.05615847 
O       6.07076573       2.35275584       5.02583409      -2.03824527       2.57894386       4.69411396 
O      10.16933173       0.31289970       8.43159718      -1.64595781      -1.31726654       0.23284675 
O       8.54637564       3.31008727       4.02129312      -0.58032669      -0.33867687       0.76610070 
O       4.07588651       5.72731373       2.46607857       2.51392346      -3.27499327       0.51555669 
O       2.18001505       0.73231681      10.60552843      -1.05835872       1.27541806      -1.08958387 
O       7.84925169      10.00113084       1.67564342      -0.90623929      -0.71146173      -0.44177199 
O       0.40598975      10.38902814       5.53574670      -0.84107412      -0.93375123      -1.89209418 
O       2.14591912       4.95991936      10.71380838      -0.76722946      -0.96271225       0.72177909 
O       6.89254298       6.21380471       2.81264776      -1.77211029       2.83063374      -1.59340622 
O       2.88884260      10.72426914       4.80589569       2.14715277       0.23844660       0.51891253 
O       5.75787917       1.04982449       2.01649228      -1.31511395      -2.24689785      -0.19368014 
O       9.37412140       7.90183340       0.65241127       0.78160466      -0.86225003      -0.23164030 
O       0.00157700       8.39519656       9.57726262      -0.16156236       0.57642343       0.00034479 
O       1.39144654       5.66783194       2.61317610      -0.30822217       2.33097707       1.68590609 
O       8.41091603       1.96057571       1.87703926      -1.41116760      -1.44262071       0.07842758 
O      10.46414201      10.60368318       0.05755891      -1.56403133      -0.00338735       0.45181315 
O       1.08417608       3.04089757       8.70762444       0.22483524       0.50543563       0.39298346 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006145307166624211 0.007090219250813825 -0.014389138888126261 0.007090219250813825 0.0023929188144598346 0.022662854643247583 -0.014389138888126261 0.022662854643247583 0.007195213442974739" pbc="T T T" energy=-929.38575624 free_energy=-929.38643362 config_type=amorph 
Hf       8.76229795       2.86658553       0.37627903      -0.81505675       0.30652678      -0.58717386 
Hf       3.00655162       7.08474262       2.57893187       3.78649630      -1.21471184       5.55992762 
Hf       8.23364791       7.77376903       2.33958849      -1.45107837       2.68537611       1.30999148 
Hf       6.68201868      10.32739863       0.47234720      -3.24772257       0.50075925      -1.23882162 
Hf       3.36586162       4.76167306       9.58226632       0.80526728      -1.59201830      -1.62221762 
Hf      10.75647704       4.02619955       7.91911759       4.27269041      -4.54143346       0.08924036 
Hf       0.74805170       0.87577800       9.83624213       0.51896360       1.96067745      -4.38938484 
Hf       4.10724175       6.87184913       6.16217272      -1.97388019       1.16820737       3.73099914 
Hf       5.12064640       9.88680021       3.08301982       1.69922910      -5.54850572       2.15955157 
Hf       0.64184900       3.86832089       1.71733435       3.67957349       0.74065977      -0.63127908 
Hf       0.63411298       8.81002740       1.37010076      -4.02880826       1.03966519      -1.13723250 
Hf       2.01375116       1.07840994       3.38267660       1.57250119      -0.60374510       3.10937958 
Hf       8.90623399       5.90794450      10.58322501      -2.05615462       3.24175072      -0.20110061 
Hf       9.16412656       6.40977921       7.12623759       0.25914011       5.62774755      -1.08536850 
Hf       3.64185988       1.90680502       0.68892762       3.07970686       1.07772238       0.05460522 
Hf       9.63446523       2.76921894       4.95204546       5.80753167      -0.78821169       1.56706013 
Hf       9.78139437       0.59431594       2.12840868       0.24020674      -0.98593837       4.34945642 
Hf       6.09257138       7.28859558       9.34427585      -4.31719114       0.50397939      -4.35082353 
Hf       6.63772103       1.74115126       3.74392174      -0.43018246      -0.30440973       0.27571506 
Hf       4.14342221       4.04757529       4.11907312      -1.49516347      -1.63433183       0.13815319 
Hf       6.56524330       9.46161066       6.30898374      -2.00222521       1.19553093      -0.47961712 
Hf       1.53247166       7.49591020       8.41468156       3.45032673       0.24913732       2.55575149 
Hf       0.79322535       5.78295856       4.67199907       0.36133837      -1.27473140       1.01860615 
Hf       4.18165365      10.31228972       8.97325966      -1.82812900       0.82653726      -0.01187564 
Hf       1.62051763       9.07530675       5.43987850       2.54019857       2.28931757       2.52067630 
Hf       5.74190240       5.19444307       1.11501173      -1.90489189      -0.08075645      -0.48547779 
Hf       8.32929974       1.41655719       8.13015280      -1.73135925      -0.87169962       1.11803432 
Hf       9.30325910       9.36845785       9.68526356      -0.22142374      -0.03969207       0.52550280 
Hf       7.45559108       5.52555616       4.27000653       1.88287087      -0.78345416       1.92419500 
Hf       9.19682864       9.86846479       5.01892206      -3.22152413      -0.95181662       0.17498422 
Hf       5.74751427       4.03827812       7.09081490      -1.24876652      -2.42870493       2.25076997 
Hf       2.40207641       1.82303852       6.64088370       1.04531759       1.01624442       2.72034918 
O       9.59071311       9.49061680       3.02390085      -0.03798260      -0.37458005      -1.23609727 
O       5.04679208      10.57636010       7.22969481       0.95893075      -0.20015324      -0.43419057 
O       1.29619531       5.42415871       8.72507843      -0.31764135       0.27117001       0.47554123 
O       6.11081908      10.65325322       4.61339512      -0.10154912       1.95446803       1.73387468 
O       2.99404857       8.85579913       9.38398343      -0.93150619      -1.07094379       0.34440175 
O       2.42203692       8.28346375       1.40209706      -0.73945026       2.92270271      -3.99014201 
O       5.83217675       9.29329394       9.51987089       0.98586943      -2.20143128       0.77943295 
O       8.03733155      10.64396159       6.89447487       0.52374335       0.71504949      -0.72710785 
O       5.48038457       8.00833453       7.12262242       0.70840717      -1.85779131      -0.81568132 
O       4.75191938       3.33150047      10.42957589      -1.68708966       0.63782296       1.21743579 
O       3.66509087       8.55296546       4.14221303       0.66762965      -1.11637681       0.39793084 
O       8.08462718       5.26651575       6.13450886      -3.89118694      -1.31302219      -0.61302643 
O       5.81321329       8.59495776       1.67865530      -0.12048178       1.54654237       0.35453623 
O       3.94659266       3.11401973       7.62651756       0.50262812       1.74009312      -0.28660142 
O       0.22705485       4.15917077       3.58127020      -1.60218519       0.04111202       1.28050132 
O       7.45702987       8.62811754       4.13697765      -0.73543899       0.20686282      -0.95580925 
O       8.56860600       7.59260565       9.00278343      -0.34937123      -0.55821576      -0.33965910 
O       7.67588046       0.09053902       9.68608712       2.29188865       1.06412340       0.08267558 
O       0.83087380       2.84355267       6.28476385      -1.41319163       0.81411518      -0.62695155 
O       6.97393672       6.82905193      10.84674726       3.65471119      -3.55945778       4.49352337 
O      10.33546686       4.94429847       6.05108759       0.90474354       0.28439109       0.16908306 
O       7.29931623       4.19626251       0.45713277       1.50160627       0.49004923      -1.18440531 
O       9.33528016       2.48932769       6.91857393       0.51185976       0.96661860      -1.54249230 
O       4.52137225       6.14141807      10.54866378       0.41655906      -0.04732574       1.15512471 
O      10.59438449       1.95019573       0.99747446       0.89813326       3.55286625      -0.39669381 
O       8.32951046       8.14130630       6.27954541       1.14277296       0.00509957       1.02317735 
O       0.00267577       1.66497639       3.68747788      -0.73177497      -0.29870099      -0.79871064 
O       8.58343036       1.00090832       4.35458150      -0.29791840      -0.89306875      -0.00456432 
O       0.94484552      10.48977290       2.73774548      -0.71713717      -3.58291930      -2.51894689 
O       9.65738855       2.33851566       9.52819208      -1.28899207       0.18657167      -0.07202075 
O       9.69057949       4.70293916       1.03568440       1.56956971      -3.21426669      -0.24199501 
O       2.25331395       0.63813244       8.31750148       0.92435684      -1.85611294       0.38008789 
O       3.97994992       0.28544222       2.49527958      -5.48648551       4.67361013      -1.28196893 
O       2.48914302       5.38810603       5.71140775       0.45268084       0.96808727      -2.77764226 
O       1.35321119       7.65416155       4.09826039      -1.02177462      -0.65075972      -1.57012500 
O       5.25909510       5.29938436       5.42467514       0.89985058       1.52513415      -1.07627144 
O       3.61727033       6.30526663       8.06231182      -0.36148762      -0.32735717      -0.80226521 
O       5.38177221       3.38896732       2.63811881       0.62242467      -0.83272576      -0.23595055 
O       2.18579964       2.55309286       2.15982438       0.83882314       0.98030955      -1.38332729 
O       9.07246608       6.65810428       3.85847439       0.11902136      -2.00472525       0.43681278 
O       2.85066316       2.31637411       4.66457745       1.50998051       3.26434539      -0.49849940 
O       9.30412869       5.23384938       8.73261025       0.17380184      -1.27011631       1.61403565 
O       0.39629035       7.14769693       6.88446487      -1.62825095       1.04275679      -1.62611781 
O       2.81418665       8.42814171       7.07493574      -2.12276261      -0.06323778      -4.24441007 
O       6.10099060       5.44443796       8.44892264       0.24042986       0.52608283      -0.83574961 
O       6.93827422       2.88922637       8.10372211       1.07494780      -1.90409438      -0.41454023 
O       4.98447016       0.39940884      10.72821174      -1.41183082       1.67646918       0.01514569 
O       5.19295965       2.83222145       5.18999348       3.37050466      -0.95466344      -0.16405161 
O      10.34463354      10.60197949       8.60617596      -0.09022207       1.26525122       0.38500756 
O       8.04004054       3.36864584       4.18697218      -3.53478177       3.08979928      -1.94784590 
O       4.46173771       5.68263665       2.72795141       0.10366182       0.18351473      -0.18133697 
O       2.39080978       0.68577341       0.06173590      -1.40432860      -0.52565846      -0.05663231 
O       8.03572644       8.96343791       0.48328216       3.09522957      -0.32434277       1.01325694 
O      10.81050090      10.02163417       5.94362828       0.47044806      -1.21113575      -0.41588235 
O       2.25383093       4.12368100       0.18995823      -1.56510231      -0.12967746       1.09460022 
O       6.95951729       6.16971822       2.51787623      -0.22083840      -0.29517723      -1.55497332 
O       2.20779311       0.19747626       5.47188121      -0.06699688      -2.34402036      -1.84912587 
O       6.37235917       0.40163494       2.27849876      -0.49943131      -0.76682399       0.05191451 
O       9.91719781       7.13661518       1.20694287      -0.09514346       1.11116210      -0.23278530 
O       0.26845158       8.39871739      10.04992759       0.63404933      -0.74812507       0.10877111 
O       1.87527423       5.60522015       2.54979948      -2.67006470      -1.87937905       0.16625280 
O       7.92103613       1.66153873       1.67685532       3.69730947       0.65479958      -0.58127996 
O      10.45830085      10.51507040       0.46150419      -0.07300581      -1.73938292      -0.33759858 
O       1.16294681       2.64857392       8.73343034      -1.22229258       0.93337258       1.19592988 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011646588327248672 -0.014953417799866078 0.009511562359704608 -0.014953417799866078 0.001156294865340729 -0.01500081271189649 0.009511562359704608 -0.01500081271189649 0.013120800295727297" pbc="T T T" energy=-921.42446993 free_energy=-921.42978671 config_type=amorph 
Hf       9.12607707       3.17671827       0.41070325       3.07979659      -4.85910130      -1.54770615 
Hf       3.25188175       7.24109497       3.02406228      -0.86204165      -0.67346667      -1.22678902 
Hf       6.93424955       7.68395347       3.35249971       1.96310737      -0.78685613      -2.50487711 
Hf       6.87025357       9.61534392      10.80421594      -2.59042638       0.52011524      -3.41602994 
Hf       4.09333931       4.78188185       9.13387976      -1.50454479       0.85771914       2.58904856 
Hf      10.41016385       3.79746489       7.95657704      -1.25686215       0.08875183       1.55625017 
Hf       0.99492245       0.63727815       9.94445868       0.67724955       0.95513860       1.73430805 
Hf       3.84115100       7.08471689       6.54537040       1.09750664      -0.54513191      -3.20126960 
Hf       4.56524455       9.86297027       2.64176405      -0.80477618       2.37304509      -0.00962059 
Hf       1.48928983       4.08816213       0.81204366       1.11041875       0.61045811       1.77758554 
Hf       1.05911623       8.42391935       0.98274606       1.98394144      -1.13306091       1.02003261 
Hf       2.24957013       1.18935925       3.77737226       0.98323285       3.64542483      -1.34007821 
Hf       8.94159642       6.05121744       1.01802338       1.55395782       4.56210976       1.09700072 
Hf       9.29662597       7.05237426       7.56208722      -0.46823274      -2.97494208      -1.81240497 
Hf       4.17330044       1.82166562       0.69068906       3.95727881      -2.76772892       1.08430094 
Hf      10.50199825       3.15865447       4.90783781      -0.23416020      -2.06612204      -1.85710876 
Hf      10.10375691      10.82697283       2.87950580      -0.94192938       0.28486980       0.78220444 
Hf       6.50119543       6.90598794       8.75709471       1.46558083       2.20383362       5.21621952 
Hf       7.63161039       2.28035845       2.91864559       0.08400820      -0.90976164       3.26689082 
Hf       3.04162060       4.30589430       4.30675325       1.31737723       0.99920892      -1.43293761 
Hf       4.64847420      10.11147578       5.73311135      -0.38562368      -3.43281343       2.98480690 
Hf       1.46493857       7.70353683       8.40328542       1.50799492      -1.10499498       0.39086982 
Hf       0.28725197       6.31218941       4.20452019      -1.59774314       3.68115932       0.00882046 
Hf       4.21243393       9.67182403       9.01914863      -2.12193268      -1.93853346      -1.15053621 
Hf       1.24577185       9.33626809       5.17199960      -3.46465199      -1.71350952      -2.01689419 
Hf       5.72457055       4.76595123       1.55810766      -2.88637554       2.21588703      -3.01032866 
Hf       8.20835487       1.28153878       7.92591530      -1.52610180      -0.44089708       0.72100706 
Hf       9.78982097       9.44888472       9.73139637      -2.06090290       0.43049023       0.30980782 
Hf       7.67336645       4.82508605       5.23063134       4.72711782      -0.23860356       0.24691051 
Hf       8.12575478       9.68434978       5.08769984       2.98908780       1.32580217       2.21743730 
Hf       5.50411343       3.47956074       6.51637099      -2.02592902      -0.80100271       1.63691726 
Hf       2.75720182       1.75374149       6.98368084      -1.01809501      -0.10769751       1.80094701 
O       8.78218485       9.26275521       3.18316249      -1.26158380      -0.86387227      -1.21694224 
O       4.64440632       0.15446845       7.44596930      -1.71439279       1.94202155      -0.54024493 
O       0.07947769       5.84502862       7.84700236       0.16057774      -1.17564302       1.35702560 
O       5.03499610       0.24937087       4.30275920       0.31230443       2.63283645      -3.57694387 
O       2.90198889       8.06589866       9.93257606      -0.92530075      -0.08751515      -2.54184969 
O       2.79326177       9.00403788       1.78148568       2.09374805       0.32227758       0.80064705 
O       5.45473902       8.21742167       9.96685416       2.28409885       2.71244311       0.51540181 
O       7.50573868      10.60502014       6.69156815       0.58462204       1.58026795       0.60968448 
O       5.15401810       8.56271024       7.42964589      -0.84748246      -2.19141765      -0.88591493 
O       4.52250457       3.50926418       0.01139940       0.82430956       4.92844936      -1.65130915 
O       3.57633012       8.72877209       4.38067803       0.19788851       1.87424694       1.56345957 
O       8.32159227       5.14707697       7.11933283      -0.94427763      -0.22298827      -1.46719163 
O       5.14643699       7.98372033       2.44307003       1.03524136      -1.70419328      -0.11014626 
O       3.93954004       3.03429636       7.96186962       0.37644641       1.19308491      -0.01440104 
O       1.19360008       4.78340088       3.29565417      -0.27233305      -1.88381885       2.53577642 
O       6.17230811       8.93698855       4.71717283       1.29155500      -0.38526828      -0.37837362 
O       7.97248291       8.62411621       9.09264393       0.21782472      -1.01749935       0.06787263 
O       8.04139346       0.26035827       9.68226981      -1.41693441      -1.96472058       2.17684048 
O       1.59646102       2.71099507       5.44283968      -0.54067646       1.17972061      -0.77726281 
O       7.39160281       7.24056062       1.23563537      -0.87557508       0.27240697       1.31097784 
O       9.85447430       4.98842307       5.40237107       2.36884109      -0.63858518      -0.79736849 
O       7.63567533       4.31818435       0.94902284       0.76758206       1.20966700      -0.26495324 
O       9.63394608       2.29643911       6.78560759       0.44553706       1.82128081      -2.56241760 
O       5.27637593       5.95724270      10.40137128       0.50368333      -2.57189443      -0.89176360 
O       0.51293708       2.59806328       0.04198307      -1.78747786       0.54607986      -0.41839575 
O       8.65213692       7.82017032       5.83628219      -2.43019457       0.51243097      -0.49507264 
O       0.22732615       2.01711022       3.32750989       0.23755304      -0.83484118       0.77344890 
O       8.35230427       0.72823710       3.86541095      -0.47843312       0.05734717       1.57179190 
O       1.26208386      10.56065626       3.32756612      -0.53646733      -0.77765520      -0.84074440 
O       9.17082733       2.69567924       9.33725406       0.57083977       2.43257249      -0.58132303 
O      10.30105154       4.42834104       1.35414831       0.28282760       1.65587979      -1.56816031 
O       2.34491017      10.80629287       8.80778155       2.21339070       0.72329293      -2.30332068 
O       3.61352489       0.74212553       2.14724056      -0.97286610      -1.91516353       4.43300522 
O       2.56203981       6.42388184       4.85422464      -0.46265208      -1.31104490      -0.81303443 
O       0.88749549       8.19756734       3.46166956       0.14245093      -1.07418389      -0.02484607 
O       4.55205809       5.27857803       5.80347850      -0.42673318      -1.83923925      -1.80771811 
O       2.73959888       6.09863748       7.63331646       0.00523999      -0.62926740       2.75050340 
O       5.99660939       2.98578427       2.05454405      -1.32229922      -2.39103275       0.95953847 
O       3.01669179       3.19705788       2.37543359      -1.23478409      -0.03624978       0.15593546 
O       9.49366092       6.59794440       2.99710984      -0.34717669      -1.23947311      -0.73246199 
O       3.98396830       2.67023258       5.21970951       0.16198162      -0.18544048       1.11078386 
O       8.37646184       6.02589540       9.29352919      -0.71125392       1.10438959       1.65601748 
O       0.25187044       7.77585139       6.04453589      -0.64571207      -2.50050420      -2.38350953 
O       2.21751043       8.53828299       6.67780598       4.57479949      -0.22317753       3.92659439 
O       5.74085791       5.58192109       7.69461366      -2.44026378      -2.40632108       0.12459873 
O       6.63980339       2.58738648       7.89250811       0.85951406      -0.76677289      -0.20327296 
O       5.26351906      10.80720556      10.04200852       1.01694914       1.81567275       2.03579256 
O       6.91115904       2.96054409       5.24679907      -0.41035894       0.90663650      -0.90684041 
O      10.27710631       0.34967139       8.88228247      -0.71398433      -0.47951196      -1.37392706 
O       8.59015165       3.87312874       3.58336244       0.75220784      -1.22741046       0.35865696 
O       4.40655514       5.38235531       2.98842074      -1.03403122       0.00664632      -0.42475968 
O       2.51746717       1.44858292       0.19877479      -2.42433483      -0.22566972      -2.30087386 
O      10.76908149      10.20584276       0.76346827      -2.01392442       2.43538072       3.47382413 
O      10.30948140      10.26302604       5.12383708      -0.68159192       0.43442124      -0.64218762 
O       2.24116362       5.01690669      10.00795580       0.18471503      -1.44562475       1.17658732 
O       6.61850820       5.90394480       4.07534011      -0.26112940       1.62807602      -1.38766797 
O       2.41066650       0.19932043       5.62861572       1.31784909       0.42187014      -0.23358172 
O       6.04686284      10.55085731       1.46871355       0.76027969      -0.49453626       1.49819982 
O      10.09522087       7.68369107       0.40511017      -0.53451942      -1.18153048      -0.65381820 
O      10.49705828       8.38175324       8.18178251      -0.10855718       2.69946580       2.09431601 
O       1.91254250       6.51033051       1.82059768      -0.92355644      -0.04453195      -2.17791096 
O       9.03742434       1.54964914       1.73023692      -0.33127745       1.59674111      -2.58847028 
O       0.90413916       9.29951235      10.03870515       1.65222200      -1.11940099      -2.78371623 
O       1.07652908       2.53913343       7.96482635       1.12540216       0.18688867       0.32927729 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013364791753925463 0.014073379786768639 0.019627927640273306 0.014073379786768639 -0.0030261233980427836 -0.018238053701850648 0.019627927640273306 -0.018238053701850648 0.011892570296329718" pbc="T T T" energy=-926.02374961 free_energy=-926.02461415 config_type=amorph 
Hf       9.22130963       3.02322200       0.69978691       2.48557131       0.59968209      -1.68392747 
Hf       3.42591467       7.20014184       2.57154694      -2.91415695       1.89495575       0.23204985 
Hf       7.51765940       8.24088444       2.68254272       1.97209262      -3.57214304       0.27795094 
Hf       6.38431051       9.77031480       0.11710237      -1.80529379       2.81028264      -1.82939591 
Hf       3.77687753       4.57388513       9.34821117      -0.30082827       2.82484963       5.61575092 
Hf      10.32798976       3.50343898       7.76117977       0.36458583       3.89985452       1.24974382 
Hf       1.00566634       1.32304298       9.69435870      -0.41028757      -1.05675943       1.36807113 
Hf       4.04200424       6.67962974       6.34814080       1.28654689      -0.97373528      -1.13105286 
Hf       5.19716172      10.15750774       3.09315619      -2.41892350      -0.61106007       1.69697468 
Hf       1.35817602       4.47131248       1.33276214       2.80900610      -4.27460995      -2.57913117 
Hf       0.95432845       8.89880781       1.38183355      -2.37657937      -1.54474637      -0.42619054 
Hf       1.86680062       1.04939468       3.50175016      -1.24787934       3.52385834      -1.56645592 
Hf       9.10780668       6.12982011       0.06859734       0.26925722       0.60560147      -1.10620254 
Hf       9.16798654       7.08532614       7.57804053      -3.50510705      -2.17695563      -1.88202062 
Hf       4.19831350       1.74390703       1.15417823       1.35206986       2.77307301      -4.58091079 
Hf      10.09268809       2.96287637       4.63969141       3.26196051      -0.31850652      -0.35979408 
Hf       9.43119536       0.10675941       2.77490127       1.59225261       1.46378243      -1.54868709 
Hf       6.27542836       6.89058287       9.04894066       1.60156899      -1.21936719       0.72053639 
Hf       7.04991084       2.02752951       3.99640882      -1.34828576      -1.22912778      -5.65156889 
Hf       3.14464977       4.18907234       4.25172691       1.51879387       1.32712301      -1.11848353 
Hf       5.57089005       9.84878264       6.21955478       0.14197660       1.49581090      -2.09394062 
Hf       1.33383247       7.10690317       7.74986766       0.27917860       0.54588159       1.12391743 
Hf       0.51260075       6.33686885       4.12398226      -0.06355412      -3.03903974      -0.71091754 
Hf       3.65505481       9.44112134       8.97674922      -2.08810059       4.95577913      -0.36791658 
Hf       1.67281979       9.17017410       5.12587558       1.49072208      -0.87049235      -1.57911458 
Hf       5.97856970       4.69677818       1.25817578      -6.27768849      -0.88841971       1.99175137 
Hf       7.98907371       1.20530486       8.34788855      -1.82418160       1.10108907      -0.51194421 
Hf       9.66331243       9.36920553       9.81544090      -0.21897728       1.76065223       1.07348963 
Hf       8.01178360       5.51329835       4.41342765       1.01533356       0.32321006       3.07274293 
Hf       8.94694481       9.80176927       5.66736761      -3.63303806      -1.48543404       1.41099909 
Hf       5.59381597       3.69122974       6.89789560       1.55952656      -0.00351975       0.57311610 
Hf       2.70281524       1.64155650       6.79516814      -1.28609132      -0.99746876       1.23057775 
O       8.81921102       9.32453562       3.86114082       2.23695231      -0.24743148      -3.23994570 
O       4.14222236      10.74660209       7.27070939       1.37928653      -0.87435707       0.22554132 
O      10.69656772       5.71201777       7.88736045       0.14676987      -0.15436120       0.82839796 
O       5.16715397       0.54909962       4.60085309       2.54784291      -1.28848968       0.80663312 
O       2.69353783       7.86505356       9.32772261      -1.96514435      -0.17915513      -1.39510492 
O       2.80411466       8.86139309       1.40247443       2.50381636      -1.46133337      -0.96332285 
O       5.25873694       8.56842231       9.55371191       2.21552654      -0.66351880       0.89466174 
O       7.19038469      10.50689567       7.05677044       2.20563163       1.12502404      -0.54399036 
O       5.68913559       7.92752639       6.62932743      -1.74520372      -0.88256010       1.61683866 
O       4.72245228       3.34836442       0.05737653       1.57493634       2.24726817       0.02829920 
O       3.87448644       8.63213483       3.93558627       0.23169686      -0.19777775       0.63708690 
O       7.54329692       4.67392347       6.36848671      -0.24668661       1.58935729      -0.74508061 
O       5.76578293       8.54367719       1.89176016      -0.93157600      -0.51343372      -1.39807396 
O       3.86291312       3.16920230       8.25921921      -0.17786243      -4.14167102      -5.39077618 
O       1.25703771       4.36059940       3.62786864      -0.00511429       0.08690131      -0.14743706 
O       6.71558243       9.07156326       4.36551093      -3.27164480       1.15806370      -0.28827298 
O       7.79930059       8.42030830       8.59091344       1.38411128      -2.24977581       1.34341531 
O       7.75682420      10.84606635       9.86190223      -4.67966175      -2.57868180       2.93031909 
O       1.10891002       2.05341064       5.26500975       0.06909305       1.43507457      -0.24659957 
O       7.69017786       7.19457600       0.69228908      -1.34784212       2.94010898       0.30342274 
O      10.36366995       4.73892290       5.38159916      -0.63707520       0.41521354       0.56609978 
O       7.70167768       4.53922782       0.80072362       5.34025439      -1.54959353      -1.52515645 
O       9.68297569       2.31652219       6.51335564      -2.33204117      -2.04090726      -0.37583515 
O       5.32293148       5.80255560      10.58309072       0.51307451       1.39358267      -0.74096466 
O       0.36500850       2.74918863       0.47566697      -3.78601883      -0.71735723      -0.49578793 
O       8.25885498       7.60951715       5.79581857       2.21016397      -0.08047249       1.41405465 
O       0.09272094       2.18402940       2.90648516      -1.49965933      -1.95896283       1.26757236 
O       8.57772849       0.77246418       4.63482949       0.31182448       0.81175491      -0.84697116 
O       0.58974519      10.43267647       2.77003697       1.06674529       0.43919123       0.49638222 
O       9.19033903       2.92413913       9.29207889      -0.13541644      -0.25027516       0.60739203 
O      10.37586556       4.94485844       0.91115856      -2.13331389      -1.07327205       0.48486654 
O       1.99781857       0.28114255       8.30719022       0.79799767      -1.61666083       0.50510464 
O       3.65579164       0.46637881       2.42379977      -1.99654910      -2.92960182       2.89610769 
O       2.57303633       6.13051285       4.96918375       0.55903710      -0.08402313      -1.67116031 
O       1.44083235       7.98946194       3.28073395      -0.36811443       2.51127713       3.61463889 
O       4.78033656       5.04229516       5.47674725      -0.24692307       0.26041992      -0.61192074 
O       2.72437326       5.78884021       7.51580253       0.16129850      -0.77793291       1.01948147 
O       5.74397651       2.71262451       2.50196309       0.04772955       0.79146723      -0.32878177 
O       2.78264880       2.75627903       2.01937909      -1.70863169       1.11072679       3.55172834 
O       9.53899014       6.29197704       3.31091083      -0.37802400       1.22765201       0.47202678 
O       3.78378348       2.67783822       5.42082787      -0.35804660       0.80124561       0.69710787 
O       8.23565004       5.64008047       9.14187590      -0.35307902       2.78293540      -0.59011887 
O       0.39625224       7.37832797       5.86907383       0.93484566       0.76777686       0.46027395 
O       2.76787829       8.41954315       6.58324250      -0.12642834      -0.73444940       1.46873457 
O       5.25410573       5.47040084       8.06085197      -0.06477881       1.27186832      -0.68096503 
O       6.40166658       2.39919871       8.29261229       1.20089617      -0.00256074      -0.53539143 
O       4.65585067       0.11544906      10.51077421       0.67058247      -2.16882900       0.06370681 
O       6.48627727       2.69195030       5.48965829      -0.84254923       0.62693231       2.78942446 
O       9.62091432       0.40901856       9.16290783       5.57159719      -0.25451809      -1.63547311 
O       8.41839053       3.73726299       3.64082082      -0.68624596      -2.10545674       0.07377519 
O       4.00344809       5.29274211       2.54834548       0.77574839      -0.31703995       0.41672599 
O       2.36910140       2.25610718      10.50074999       3.40704866      -1.71757612       0.08381256 
O       9.28837394       9.59461652       1.38146943      -1.78215539      -0.58984053      -0.76927630 
O      10.77352728       9.87833974       5.36548832       0.89611978       1.33462890       0.93792542 
O       2.18039676       5.10359637      10.36660486      -0.46254777      -0.43593511       1.11295845 
O       6.91153923       6.15497061       2.91180977      -1.11178345       0.57453212       0.68446800 
O       2.46963881       0.31124996       5.23893559       0.32009505      -4.42255775      -0.85373340 
O       6.39754181       0.08454078       1.72030954       0.39593339       0.07886312       0.19874770 
O      10.48579752       7.66827797       0.06826676      -0.43023337       0.09699797      -0.86293052 
O      10.38614740       8.50472749       8.04541031       1.04468017       0.89243108       1.11316380 
O       1.41581896       6.20532155       2.07124982       1.40166012       2.88420621       0.10716556 
O       8.41141749       1.59003785       1.66013120       0.89872532      -1.06336524       1.48313690 
O       0.59409186      10.11879633      10.73667633      -0.06199568       1.23539376      -1.43996663 
O       1.12070351       2.49547825       8.04085335      -0.50519805       1.78192356      -0.84980284 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0016078685686436401 -0.007889583592655555 0.0022344273805546223 -0.007889583592655555 0.004363055095954125 -0.01393244376444218 0.0022344273805546223 -0.01393244376444218 0.0013846768459848445" pbc="T T T" energy=-916.75460381 free_energy=-916.75678855 config_type=amorph 
Hf       9.40540672       2.64337481       9.48817802       0.89068438      -0.95835781      -2.29941704 
Hf       5.39125318       6.60167172       1.12500111       1.07897587       1.08987053       1.40656407 
Hf       8.19076952       9.11306757       4.36362246       1.69603903       0.69808992      -5.79035246 
Hf       7.69058779      10.10002503      10.15755160       3.23368530      -1.39845591      -1.50057870 
Hf       3.98406633       4.14187235      10.03049220       3.11507094      -1.02137626       1.16548231 
Hf       0.92496372       4.44735249       6.97244885      -1.09675621      -0.57183794       1.31189869 
Hf       1.90692639       1.35894063      10.64167632       5.61888848      -0.57540593      -2.67838864 
Hf       2.24988095       7.26506028       6.65775775       1.37326009       0.37006298       0.39772078 
Hf       5.76518735      10.37163820       1.46579243      -0.85805880      -1.11383811       1.59178865 
Hf       1.19531104       4.20075933       1.24716635       0.55302544       2.07406912       3.26598304 
Hf       2.44158901       9.26405808       1.54536229       3.14382129       0.35161410      -2.00306243 
Hf       1.21495964       2.29215715       4.34286597      -0.48992652       2.88271656      -0.57521708 
Hf       9.06463875       6.74460952       1.16013870      -1.85169199       0.51470784       1.66745300 
Hf       8.72084999       6.51239116       8.55084749      -1.79585294      -1.89183192      -0.07841003 
Hf       4.12553277       3.05388449       2.63005166       0.27040786       1.16485693      -1.96056376 
Hf       9.17044410       3.32996744       3.48053716       1.95580381       2.11079027       1.40579499 
Hf       9.86161931       0.24811164       1.26134779       0.03992830       0.25156431      -0.34661214 
Hf       4.99821692       6.51150941       8.04691837       2.94988863      -4.80872806       1.18525894 
Hf       5.85499465       1.12068028       4.35334257       0.73167887      -1.73636320       1.68292013 
Hf       4.11672945       3.77986597       5.97955176       0.24511756      -5.95517873       3.69725324 
Hf       4.38072297       8.48206516       4.67405201      -1.30472624       0.14605998      -4.31556463 
Hf       1.05106754       6.83945266       9.93424088       2.06398696       1.54056269       0.54182069 
Hf       9.90451334       6.39025469       4.91870666       1.15725776      -0.36515109      -0.85586059 
Hf       3.95711226       9.06540694       9.43019267      -0.33002576      -3.75525149       8.92072233 
Hf       0.58843787       9.56337809       4.19182954      -0.59034216       0.95691575      -1.77579077 
Hf       7.65642760       3.95199729       0.80257181      -3.24673012      -2.40429712      -2.75013500 
Hf       8.88354952       1.46936374       6.32390332      -1.89879916      -1.35882529       2.93519738 
Hf      10.76999288       9.94263144       8.30685248      -3.12426398      -1.87274901       3.97674415 
Hf       6.52176031       5.76502580       4.37520392       0.53431828       2.14309543      -3.33664248 
Hf       6.47047887       9.48708392       7.02225611       2.39796870      -2.91649740       1.52072956 
Hf       5.72284482       1.81954255       8.42453794      -1.77209884       3.93821691       2.03433530 
Hf       2.19752516       0.63910321       7.16647615       1.17313618       2.65890799       3.73166016 
O       1.23048446       0.42188183       1.21035459      -2.96872218      -2.78428947       2.48001551 
O       2.36433795       9.13236964       5.07409030       2.57382550      -1.98832086       1.88776728 
O       8.33958408       4.21247030       9.21646889       1.61362549      -0.73681970       0.19176735 
O       4.35122157       9.59303290       2.76167225      -2.21589200      -0.49309918       0.59775157 
O       3.08708499       7.02526288       8.52869421       0.55053239       2.33198786       2.15816797 
O       3.81766956       7.57167957       1.03900232      -4.01238086       3.97900421      -0.46293550 
O       5.72823609      10.13148265      10.28062757      -0.21218023       1.46301353      -0.69201513 
O       6.64268781       0.22587412       7.84061252      -0.02993319      -3.01517165       0.97115403 
O       4.99242711       6.91850435       3.53646349       0.17022302       1.63246259       1.43085716 
O       7.53482971       2.67700369       2.84555828      -1.42149939       1.65335913      -2.39014672 
O       6.86877699      10.17613660       3.23814443      -0.34259359       0.21548544       2.17822483 
O       9.94047786       5.57637370       7.15456900       0.61794350      -0.07433654      -2.52433640 
O       6.94717090       5.93542716       2.25756660       1.60635116      -1.39394718       1.11948722 
O       3.27336172       2.80157524       0.77005657      -1.63342559       0.31319524      -0.49412227 
O       9.00588835       4.73620056       1.74869512       3.01018825       1.20248733       1.28126925 
O       5.19322737      10.05944319       5.58266594       0.93546664       0.24962343       0.17414173 
O       8.19490297       8.83384996       8.72427680      -0.46924727       0.23501769      -1.98627111 
O       5.79617575       3.17720083      10.08555220      -0.69239928      -0.36701469       1.29602977 
O      10.10810542       2.36495698       5.17101634       1.25293161       1.38641784      -0.99731193 
O       9.78510519       9.47938415       0.15297114      -0.56643373      -1.76761594       1.46613302 
O       3.23878322       5.18669152       6.78793270      -5.00187574       2.28239158      -0.12907200 
O       8.91265336       2.32282018       0.59199713      -0.17515611       1.23631539      -0.25175191 
O      10.59552853       4.96607546       3.71477849       0.72962077       0.95554967       0.66048650 
O       5.31853629       5.88944395      10.16376252      -1.92703847      -1.26132516      -2.90911028 
O       0.82562616       3.00258992      10.73048050      -2.19918288       0.36526686      -1.38455451 
O       7.42645803       7.52049280       5.05245292      -2.08551210      -0.64062987       1.66560009 
O       0.08220905       2.55941778       2.73107196      -1.75796595      -0.02178314      -1.35151491 
O       7.34908614       2.04817603       5.20725890       2.38423927       0.08062133       0.44123076 
O       1.61858151       0.58598477       3.95591958       0.43755848      -3.53500337       0.74627699 
O       4.81309715       4.11301853       7.89418498       1.59169774       0.60300681       1.94533256 
O      10.23604201       7.66885889       9.05040790       2.70455215      -0.68336113       1.40465851 
O       3.67482045      10.31704958       8.32445770      -1.98303193       5.91614974      -8.08854480 
O       3.57722088       0.27516146       0.29994849       0.48934979      -2.46826639       0.77986664 
O       1.28790083       5.49667650       8.50609203      -0.57084434      -0.56084764       0.37756161 
O       4.99801977       4.53195807       4.53085930       1.80645509       0.27786119      -2.26191863 
O       3.39287377       2.01064157       8.77604015      -0.26292674       0.04099738       0.23581472 
O       4.34225475       7.10408084       6.27407305       0.54113705       3.65718811      -2.48315648 
O       5.49115647       1.30021618       2.44453238      -2.15136891       2.26523877      -0.57911877 
O       2.22597242       3.59228951       3.14417089       1.37124553       0.46129291      -0.49314943 
O      10.15480982       8.77056713       5.35974671      -0.44085995      -2.94910456      -0.02983613 
O       2.17403981       2.68828660       6.43841536      -1.04878022      -0.63369817      -1.62734002 
O       8.01960680       5.91469813      10.34036123       0.83410323       3.67806056       4.85782727 
O       1.20330762       8.65252145       7.54548176       0.41148247       1.03054852       0.21192081 
O      10.67690761       0.07666818       6.69275714       1.20611512       1.21721669      -1.23842938 
O       7.08055162       6.60398217       7.53960467      -1.90011532      -0.28959274      -1.06491426 
O       8.42712067       5.13827789       4.66956258      -1.82343544      -1.67148993       0.18611375 
O       7.89224169       0.08826049       1.06122095      -2.30446480       0.16749604       0.11028940 
O       5.42103761       1.99042485       6.58852488      -1.84249109       0.66805557      -1.91478069 
O       7.78960748       2.04652011       8.25626715       2.14040793       0.28994900      -0.99391488 
O       9.08811693       7.79173305       3.12304202       1.58535170      -2.59590818      -1.73521256 
O       4.02456979       2.11773763       4.57606237       0.06432925      -0.16193157      -1.90744669 
O       4.61412261       4.71513748       1.55178817       0.64520516      -1.57205121       0.63388294 
O       1.21263388       0.51713523       8.89597712       1.36025581      -1.47167747      -1.80909914 
O       8.22713703      10.36508758       5.74982700      -1.56912069       2.38745609       4.18684097 
O       2.33538023       5.50362185       0.26421705       0.38111833      -1.52521585      -1.64999437 
O       6.50728748       8.38449805       1.00765642       1.07174049       0.34080078      -0.26911697 
O       1.26880416       8.27790192       2.76492232      -0.30240263       1.59182630       0.05237856 
O       9.85824233      10.58183041       3.19339538       0.51154137      -0.85367719       0.37748719 
O       0.06707680       6.05577450       0.72694356      -0.94534935       0.59552086      -0.68432452 
O       5.60422093       8.19084909       8.79360531       0.10305343       1.73157476      -2.20418675 
O       1.29573109       6.10055255       5.51483734      -3.15849772      -1.06218383      -0.16443980 
O       9.72003703       0.52716597       9.64536578      -1.50555747      -0.25823604      -0.61187198 
O       1.96502856       9.07261350      10.37180332      -0.36042219      -2.72073047       0.36025320 
O      10.82630245       2.50376416       7.99920520      -0.79506927       2.79085858      -1.33084160 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004307668936370988 0.01290588525107506 0.015289619728546724 0.01290588525107506 0.008192690630728246 -0.0036762433763756993 0.015289619728546724 -0.0036762433763756993 -0.004808151698127688" pbc="T T T" energy=-913.63846997 free_energy=-913.6404004 config_type=amorph 
Hf       9.71330316       2.79363382       9.20408992       0.81697761      -3.89678786      -1.72781912 
Hf       5.16539340       7.15608922       1.58803485       7.42044712      -4.69520596       1.61039328 
Hf       8.14553388       9.34942470       4.05046938       0.02361762       1.29658469      -1.07422298 
Hf       7.77287620       9.46125989      10.09400192       1.97030066      -2.04940984       0.07699764 
Hf       3.86873441       4.61120616      10.47163735      -2.03349636      -0.95594018       1.03952815 
Hf       0.65086923       4.64018515       6.97068372      -0.01567772       1.17065647      -0.92274772 
Hf       1.72344996       1.27499945      10.53695357       0.10414481      -0.98795215       2.39619282 
Hf       2.49027708       7.45211954       5.91300693       0.24540107      -1.72739951       0.91431799 
Hf       5.58390639      10.25275766       1.92056665       2.37228111       1.35452258      -1.86120311 
Hf       0.37635568       4.51412954       1.01225029      -2.04400507      -3.74909686       0.09275943 
Hf       2.39667927       9.72026198       2.22477138      -0.11374545      -1.63164280      -1.35878854 
Hf       1.27685567       2.85748888       3.99929173      -1.78065137      -1.41673867       2.10607771 
Hf       9.27009226       6.71718819       1.36865035      -3.21574800       1.84002091      -0.23444846 
Hf       8.59927219       6.15118065       8.49182818      -1.85375404      -0.31614465       2.47014657 
Hf       4.39812995       2.85844445       2.17738455       2.67547337       0.81911800      -0.61621295 
Hf       8.78112495       3.14324322       3.23740566      -0.34441346       2.90610470       1.39164955 
Hf       9.67829758       0.24713978       1.20396334      -1.54952596      -2.91932260      -3.61228442 
Hf       5.32240995       5.73394045       8.40519006       4.74255428       2.54050675      -4.43685806 
Hf       6.00330364       1.65357406       4.55393971       2.53333450      -0.41600605       0.03678080 
Hf       4.04512316       3.60861835       6.09886265      -4.28832403      -3.01714205       1.11528942 
Hf       4.87108120       8.75654864       4.74876919      -1.56360965      -0.51693842       0.21391905 
Hf       1.87107108       6.74097568       9.25339767      -3.99248339       1.32859024       1.92464055 
Hf       9.61106358       6.57850977       4.92837881       3.19411411      -1.99414462      -2.87836952 
Hf       4.11520576       8.85975639       9.94653930      -1.37424721       0.89369738       0.77226370 
Hf       0.32088238      10.13365088       4.48883758      -0.03549807       0.60524227      -0.95585296 
Hf       7.02709327       4.41562672       0.27694386       3.19197214       1.41985663       1.34456407 
Hf       9.27497111       1.49583839       6.26174185       0.31335131      -0.73525889      -0.68032643 
Hf      10.72874435       9.02055714       8.03838125      -0.89347859       2.03669670       0.92562884 
Hf       6.34819497       5.99050963       4.52409112       0.21408029      -1.29089317      -3.26543872 
Hf       6.80451807       9.38613603       7.03326370       2.72031893      -1.42709906      -0.41113497 
Hf       6.07652003       1.77865521       8.69783602       1.38281369       2.50963235      -3.21475672 
Hf       2.45120210       0.23293238       7.36439340      -1.94610945      -1.19608569      -0.79662486 
O       0.64936769      10.69293529       0.69189683       1.70078561       0.63316245       0.35884244 
O       3.09188849       9.39745780       5.55466782      -1.12617289      -1.60219902      -0.17550493 
O      10.39774330       4.45319321       8.67215876       0.22036809       3.83240404      -1.31472120 
O       4.28637705      10.03528311       3.44838083      -2.95143469      -0.22370459      -1.85277476 
O       3.78619674       6.67364517       9.16081537       2.65390159       0.77422235       3.16000877 
O       3.51673433       7.69529327       1.51094827      -5.63650216       3.16891543      -0.34566249 
O       6.04991315       8.39437864       0.31542912      -1.73836362       1.25664411      -0.71753882 
O       6.06146497       9.69392184       8.76194642      -0.55402930       2.23687153       1.72474043 
O       4.37978096       6.63425231       4.11657920       0.58116809       3.15169003      -0.13671473 
O       6.74193256       3.28333860       2.77849744      -0.67087211      -1.10003192      -0.85297132 
O       7.28842448       0.30513892       3.42454264      -0.33048558      -2.48910566       1.58394753 
O       9.46413715       6.53128395       6.79047689      -0.19136481      -0.34830408       1.12150893 
O       6.45644778       5.66682990       2.33436983       0.09358932       1.35244779       0.66714433 
O       3.02401321       2.15073533       1.05041290       0.05892062      -0.85743118      -2.59342750 
O       8.91327890       4.50420737       1.79733478       0.47541201       3.12734363      -2.14066867 
O       5.52194815      10.73437316       6.04613199       1.34135083      -1.82433910      -0.88864944 
O       8.70565672       8.98584902       8.18665626      -1.52928335      -1.12262417       0.17291199 
O       5.61087978       2.83267438      10.28336739       0.97108729       0.65568814       2.18418962 
O      10.46471240       1.67027973       4.65566426       0.69762673      -0.04255177      -1.93595641 
O       9.02058178       8.52343897       0.67511116      -0.35879091       1.44950168      -1.65774274 
O       1.84537396       3.92831956       5.62280441       2.51715122      -0.94070803      -0.95240531 
O       8.83692556       3.90028561      10.31942485      -2.82393549      -0.14848570       2.88945089 
O      10.66639279       4.36128487       3.70857560      -0.66693214      -0.95134965       0.82713874 
O       5.78959516       5.92573428      10.50186287      -4.17846863      -2.48896103      -0.26537628 
O       0.51592041       2.83302852      10.44208817      -0.73260080      -1.53836246      -0.17730475 
O       6.65952386       7.92106902       5.37662304       1.65077011       1.32516228       0.53840638 
O       9.32681372       1.90877762       1.92773717       0.78800838       0.15189802      -1.18231906 
O       7.89814462       2.50492047       4.88226423      -0.85714128      -2.28697480       3.40717919 
O       1.51171365       0.22021925       3.20520167       0.18052932       2.37644301       0.85319049 
O       4.49345316       3.88299045       8.45932216      -1.13710895       0.84423714      -0.15622262 
O      10.80531406       7.06154919       9.09905287      -1.97085199       0.95152212      -0.89917176 
O       3.30432352       9.64467043       8.37825477       3.16520965       1.80605472      -0.67237148 
O       3.80433697      10.39918492       0.62110282       1.11252256      -0.90382438      -0.09522443 
O       2.36703218       5.48495445       7.66450354      -1.78257404      -0.44447789      -0.20602685 
O       5.48198273       4.60032200       5.55250284       1.70671695       2.00103360       0.11120834 
O       2.48113885       1.53367683       8.84949680       2.55423303       1.23160573      -2.43396904 
O       4.30657304       7.07461428       6.70975419      -0.72453256       0.28801718      -0.57836481 
O       5.34425501       1.19188282       2.74877011      -2.02555313       0.49748000      -2.22868812 
O       1.22888130       3.21584981       2.06792256       1.61399951      -0.49394170       1.53068876 
O      10.03389567       8.57502928       5.01903693      -1.14100715       0.18776532       0.71079737 
O       2.81078795       1.63758840       5.41336010      -0.14486885      -0.57868944       2.43840911 
O       7.97353164       6.24444962      10.47831662       2.91525610       0.38633469       1.56660600 
O       1.57142907       8.39152982       7.37238498       0.55895887      -2.86834809      -1.25289416 
O       0.00144824      10.73984270       6.54883282       1.39368847      -0.67375453      -1.50368281 
O       7.18015398       4.61576159       8.58317622      -0.36709523       1.07920404      -0.23165786 
O       8.18369399       5.14025169       4.72898423      -0.28262508       1.65614739       0.01600656 
O       7.10978770      10.69204116       0.49485613      -0.96489017       2.50268356       2.23240637 
O       5.59414622       2.46796096       6.77386068      -0.43983629      -2.39577369       0.59283938 
O       8.05057859       1.93554116       8.07218416      -1.41883240      -0.19789192       0.44702120 
O       8.70704427       7.65319978       3.13308101       0.28297301      -2.31171325       0.79673317 
O       4.25782004       3.00351879       4.03404848      -0.54992037       0.86190216       2.49422590 
O       4.04312863       4.81140986       1.54085332       0.96475760      -0.67300021      -1.19371458 
O       1.02866099      10.41308030       8.72735468      -0.74798100       1.39465925       1.11109251 
O       8.43506080      10.44822897       6.14386129      -2.47963656      -0.38898124      -1.58354166 
O       1.87451298       5.02076005      10.72470285       3.32359085       1.17728582      -3.07500828 
O       6.21035347       8.59959951       2.95712423       0.04365310      -0.06830236       0.27481320 
O       1.16413678       8.55844108       3.16483500       0.58113515       0.65800637       1.50432315 
O       9.59700589      10.13090758       2.84038316       0.76435207      -0.58289057       3.38550738 
O       0.30081114       6.39226399       1.15527777      -0.96537728       1.76384654       0.87923269 
O       6.71472510       7.23477277       8.01201234       0.92595007      -0.82476161      -0.04568158 
O       0.80363139       6.06318006       5.48637728      -0.76651729       2.58746856       0.05464430 
O       9.13602422       0.12166280       9.72144706       0.33813152       0.54917948       2.23533909 
O       2.19261635       8.53124220      10.22840760       0.38642698      -2.10881269      -0.08852156 
O      10.70262188       2.68543931       7.02193313      -1.17152483      -0.18479128       1.15107820 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.004830337984919372 -0.0054788398395283835 -0.0009537934957738713 -0.0054788398395283835 -0.002122799924706029 0.0038321571543930497 -0.0009537934957738713 0.0038321571543930497 -0.009374009690954543" pbc="T T T" energy=-914.48253024 free_energy=-914.48858198 config_type=amorph 
Hf      10.34278166       2.51463333       9.29261856      -1.96629386      -0.10679533      -0.30342714 
Hf       4.90599722       6.75892255       1.50432198       1.01796713      -0.59717941       3.22542567 
Hf       8.11849458       9.09719513       3.66530984      -4.14999043       2.59849909      -3.13125232 
Hf       7.17663977       9.83139454      10.25311245       1.38279979       0.28423572       2.60928583 
Hf       3.72316231       4.41138916      10.40357013       1.48935332      -1.35319881       2.02280335 
Hf       0.42925613       4.34279410       6.30950181      -5.92902856       1.28974582       2.81256632 
Hf       2.68972931       1.09551273      10.37946976      -4.10136532       0.07697912       0.32175506 
Hf       2.32469985       6.79005013       6.08427104      -1.81130803       3.84497546      -0.48980953 
Hf       5.58442250      10.33059702       1.92533629      -2.12834162       3.59520301      -2.10366865 
Hf       0.09066485       4.25413138       1.06578388       0.19786205      -0.54452651      -2.93144245 
Hf       2.36668510       9.82608068       2.09116820      -3.79839371       1.37017344       4.36414599 
Hf       0.99433577       2.50510557       3.89351971       1.64971209      -3.07597880      -0.57114299 
Hf       9.62985931       7.42729657       1.04028804      -2.57959193       0.15591161      -0.52326424 
Hf       8.73662699       5.98859631       8.55298815      -1.12013258      -1.03461678      -3.14867572 
Hf       5.28545597       3.47526292       2.31586028      -1.22434411      -0.44194062       1.29314632 
Hf       8.70087786       3.27490386       3.62533379      -1.00660029       0.31766282       0.02151541 
Hf       9.74603031       0.70677895       1.22870608       0.11657709      -1.59971756      -2.27960090 
Hf       5.31744946       6.43321679       7.88487597       2.86628466      -2.17203666       0.85126680 
Hf       5.61427717       1.42650933       5.04032636      -1.82232280       2.37584865      -2.04305863 
Hf       3.66480253       3.32868552       7.20292932       0.41555122       0.01269990      -3.94102135 
Hf       4.82475949       9.12171054       4.99925370      -3.04162990      -2.05156798      -2.22870675 
Hf       0.73465049       6.38692689       9.06381605       1.30011725      -0.08356242       1.22975392 
Hf       9.55356340       6.35449666       4.24418782       0.17308535      -2.31695329       2.50543994 
Hf       3.40794544       8.68162247      10.14316018      -2.36975560       4.82917246       3.60646570 
Hf      10.84986303       9.85258899       4.38504793       6.79229654       4.41887079      -1.72562017 
Hf       7.38937269       4.45194353       0.62091251       0.51688293       1.20198148      -5.09485084 
Hf       9.55002726       0.89028459       6.59913382       1.80763495       2.11287476      -2.69718029 
Hf       0.28941662       9.40020099       8.42592560      -0.42160886       0.43701660       0.55045500 
Hf       5.76408781       5.57897380       4.52151371       5.20453262       2.55116297      -5.77251590 
Hf       7.46920680       9.50609211       6.95880512      -1.73376252       0.79266023      -0.61651504 
Hf       6.74053708       2.12078121       8.49361622       0.10277587       1.65078399       5.34068816 
Hf       2.77251613       0.14174469       6.93019013      -0.56360796      -0.82183020      -2.18361434 
O       0.91791197       0.19627565       0.85474901      -0.59274579      -0.83355107      -0.61746574 
O       2.57599990       9.30149483       5.90604518       1.12078744      -0.17931951       0.14247366 
O      10.32413347       4.73221964       8.62137867       2.06705083       1.12647434      -1.03786676 
O       3.73714118      10.18561432       3.63453216       2.81338283      -1.96889928      -0.58563545 
O       4.27888139       7.46379002       9.28071782       2.72208905      -5.08132939      -2.58783935 
O       3.32281082       8.16863318       1.42258823       2.28917804      -2.05691714      -2.84097325 
O       5.27317558       9.63727681      10.71197236       0.18805932      -0.33249685      -1.09846739 
O       6.64322672       0.16466605       8.75193197       0.89867447      -1.98905036      -1.56532131 
O       4.62857199       7.01695440       3.67754648       0.23555709       1.03570614      -0.25979126 
O       7.39526911       3.09544580       1.93364900      -0.10153693      -1.59249086       2.53136050 
O       6.31938794      10.04157514       3.69213016      -0.63751374       1.32904416       4.38336691 
O       9.28772397       5.87883251       6.36051271       0.81006763       0.79631901       2.47489316 
O       6.39757720       5.30737084       2.24771228      -1.36346639       0.77712217       1.23297455 
O       3.89754177       2.41621519       0.19819093      -0.23111121       3.82466250      -0.08807755 
O       9.82300301       5.17157533       2.29571109      -1.87032914       1.52557378       3.83242230 
O       4.93907916      10.61830963       6.27128025       1.72865681       0.24478095       0.15318256 
O       9.19098195      10.13870647       7.67946784      -0.15771969      -1.67525115       2.75232091 
O       6.21014384       3.13249987      10.12878332       0.12908659       0.39874712       0.38277033 
O      10.27882867       1.36542503       4.50785760      -0.23244885      -1.55250298       2.06759783 
O       8.93950994       9.70378256       0.57081474       1.93833503      -3.73912926      -2.27741078 
O       1.89013507       3.53143493       5.52509726       2.59538587      -0.74702135      -1.13203680 
O       9.14250644       3.99194164      10.51357396       1.07810748       0.20252155       1.86352816 
O      10.32439750       3.65946760       4.76853298      -0.66023907       1.71498005      -1.88377814 
O       5.60309577       5.58288883      10.79721901      -2.62908820       0.26569329      -0.35151719 
O       0.98351426       2.60663471      10.67658984      -0.89385462       1.29647549      -0.15151191 
O       6.80007934       8.24601244       5.47165736       0.34169660       1.06052355      -0.00358683 
O      10.04193948       2.48736041       2.22687827      -0.70779894      -0.51370664      -0.14883771 
O       7.42599880       2.33124450       4.76669435      -0.76411685      -1.64242124       0.55498805 
O       1.45609661       0.27125599       3.33245268      -1.75451037       1.82949889       1.91368108 
O       4.20602770       4.74436455       8.48447028       0.16358906       0.06694580       0.23562522 
O       9.65098210       7.80009462       9.27723434       1.63434784      -1.37136502      -0.34521822 
O       3.15820469       9.94576622       8.67799200      -0.59064675       2.35172375      -0.53404405 
O       3.53083490       0.04304960       1.01276065       2.06464411       0.48819246      -2.67118514 
O       1.91980584       5.24779286       7.24500804       1.98032621       1.20681916       2.05897479 
O       5.24881629       5.26676316       6.14945308      -2.29979313      -1.71567160       8.00399312 
O       3.18688927       2.03997209       8.46125091      -0.24395035      -0.24045914      -0.10175718 
O       4.30127274       7.29232083       6.48483391      -1.46289957       2.80619340      -0.84255736 
O       4.94632394       1.66675814       2.69260548       1.08263734      -2.21132399       2.26771284 
O       1.30601956       3.70529969       2.35984722       2.35805063      -0.49506843       2.22356461 
O       9.59330778       8.46716295       4.65658521       1.53040033      -3.51480986       3.31702816 
O       3.13375519       1.54127856       5.29457195       1.73951308      -0.68201142       2.88647506 
O       8.11492762       6.33329049       0.64751613       1.36471846       1.85636392      -2.29003805 
O       0.99666859       7.74058959       7.38145884       0.06998362      -0.20557250       0.42027226 
O       0.37466491      10.50361390       6.66933671       1.55609961      -0.17738742      -1.48194368 
O       7.02343022       5.22283582       8.17850953      -1.01951069       2.37496534       0.43575747 
O       7.87242481       5.28352843       4.49248705       0.07576444      -1.63400257      -0.96930882 
O       7.38275563       0.17707629       1.32017191      -2.43576044       1.56131987      -0.56084209 
O       5.46634903       2.16970411       7.06450440      -2.18176279       1.52730895      -3.38332533 
O       8.30150116       3.05868301       8.37319788       3.14837270      -0.65637934      -3.02296737 
O       8.36937166       7.29364986       2.97785424       1.12171073       0.67646272      -1.88535977 
O       5.32159952       3.73968016       4.48605802      -1.41560757      -3.77205472      -3.30941704 
O       3.84884642       4.90248160       2.02888568       0.35882429       0.69057360      -2.69640822 
O       1.02119963       0.81243014       9.00195378      -0.97719870      -2.54818066      -1.04114355 
O       8.51548017      10.70882564       5.30477726      -2.25002160      -2.30542805      -0.03975210 
O       1.91516681       5.16304288      10.03267628       2.18600561      -0.81460748       0.39249190 
O       6.56395715       8.70844855       1.66298175       0.01153395      -3.77088209       0.13392390 
O       1.50025215       8.43797465       3.17618793      -3.70877750      -0.09899122       1.82730696 
O       9.69479870      10.29107042       2.81546813      -1.06939179      -1.40560216       1.32048501 
O       0.21378708       6.25890682       0.43606339      -0.45302008       0.76587527      -1.12223610 
O       7.18428927       8.22859981       8.30214071      -0.97250661      -1.49957343       1.67190159 
O       0.65049805       6.26119784       5.16636927       1.00695427      -0.90121302      -0.97338567 
O       8.80019447       1.39562710      10.08243566       3.02283867      -1.35006014       1.23358233 
O       1.41536006       8.18665539       9.77935479       0.04268076       1.05452391       0.54232294 
O      10.71211186       2.33162860       7.10456546       0.91201279       2.68370416       1.66042787 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02422087235964241 -0.003121729680153875 0.001110792378877284 -0.003121729680153875 -0.021140818971061598 0.009738671191075715 0.001110792378877284 0.009738671191075715 -0.044430425394957805" pbc="T T T" energy=-912.90151944 free_energy=-912.90232137 config_type=amorph 
Hf      10.15205969       2.52822886       9.58720498      -0.60883788       0.85969789       2.45649212 
Hf       4.60330392       6.99500555       2.33967490      -2.56173728      -3.14230835      -4.15818309 
Hf       7.50910828       9.03209941       3.38701622       4.88025601       0.53743968      -7.69323068 
Hf       7.15402423      10.07277372       9.88198889       1.26973040       1.22998444      -2.86975330 
Hf       4.26184754       4.93299927      10.51136968      -5.43051974      -4.45031743      -4.50380229 
Hf       0.32770028       4.08154767       6.85326390      -1.33055020       4.63334845      -0.91700576 
Hf       2.42075901       1.50100265      10.07438404       2.86128011      -0.43329185      -0.67651685 
Hf       2.32880312       6.98093505       6.13689683       1.08734700      -1.69071501      -1.53732061 
Hf       5.27002539      10.40739786       1.61407482      -3.49416284       3.04116181       2.47271091 
Hf       0.76448052       4.43210831       1.40101077       3.40519162      -6.97680122      -2.00596951 
Hf       2.04033079      10.04477755       2.03181158      -1.08887593      -1.36369267       1.60454148 
Hf       1.08719904       2.23725869       4.00571565       3.80373716      -0.31959191      -1.36762673 
Hf       9.71315649       7.49450213       0.20796611       2.64652184      -0.29467971      -0.71253499 
Hf       8.69923866       6.23775352       8.24377799       0.92091997      -1.50162737      -1.56994207 
Hf       5.10252637       3.18855279       2.00501200      -1.42972603       1.02704669       0.13557580 
Hf       8.87823153       2.98696088       3.51782985      -5.56413634       1.28860279       2.74997264 
Hf       9.93863435       0.18268772       1.58612815       0.04179328      -0.13815472      -1.60485707 
Hf       4.93026119       6.88337641       8.23736589       4.24491615      -4.41787238       1.31426447 
Hf       5.35848238       1.22123354       4.80526592       0.60122476       0.79538160      -1.34662649 
Hf       3.49445990       3.26805361       6.77719467       3.04116180       5.18142536      -4.81850539 
Hf       4.84143226       8.49317762       4.58927750       0.23920658       2.65404956       5.80648556 
Hf       1.27942896       6.56964870       9.35387961      -1.98215120      -1.87451252      -2.78941842 
Hf       9.87648449       5.95230153       4.28135729      -0.20631928       0.80693585       2.22423781 
Hf       3.64035443       9.01773264      10.08768330      -1.82810947      -2.59137532       3.30449152 
Hf      10.36663244       9.33554592       4.94390590       1.08196744       1.54093114      -3.34433557 
Hf       7.90982509       4.48599267       0.54984535       0.26819798       0.56529558      -0.87099174 
Hf      10.08093857       1.16176813       6.67718456       0.15739175      -0.23354710      -1.57809054 
Hf      10.76030282       9.69224757       9.00151301      -1.59988562      -1.73561827       1.33672393 
Hf       5.89903132       5.00140261       4.77650763      -1.19181786       0.45697923      -0.39909896 
Hf       7.11321125       9.40626112       6.86118297      -0.47339888       1.26935006       0.65755299 
Hf       6.95121229       2.98887073       7.93859456      -2.86741263      -0.29864849       1.80473043 
Hf       2.53934187      10.77521002       6.83279206       0.73260498      -4.18655616       0.70498043 
O       0.80178591       0.13901692       0.80380878      -0.19981532       0.17047993      -0.34438388 
O       3.35958425       9.16591167       5.79799213      -3.35645628       0.15476074       1.35497404 
O      10.10761320       4.60499523       9.03506406       0.83116881       0.04583912      -1.83986831 
O       3.62837096       8.79384632       3.17115807       0.05977834       1.36513377       2.88069848 
O       3.07399178       7.02404361       8.71887869       1.54060309       2.67394163       0.46180414 
O       2.96017628       8.50650468       1.30797338       1.88289369      -2.72476210      -6.62784511 
O       5.59211152       8.69541157       9.56552559      -0.51991351       1.24427212       0.83321059 
O       6.72459820       0.33835635       8.31595673      -0.94261525      -1.63083480       1.14278818 
O       4.24411649       6.54494277       4.55247074       0.39377426       0.63496301      -1.53390533 
O       7.02660994       3.78803668       2.40013952       1.75833281      -0.70972903      -3.33149088 
O       5.94934947      10.25819214       3.64369819      -0.56293342       1.77045206      -1.81851490 
O       9.70030755       5.44870310       6.45734647       1.47154299       1.86878811      -2.36343731 
O       6.16644448       6.15922261       3.05383325       1.45164787      -0.33209689       2.02874081 
O       3.91666504       3.07831565       0.10217107       0.67960480      -4.15746517       1.49236895 
O      10.46895680       4.37678233       3.08268469      -2.01992232       1.32607354       1.49484748 
O       5.63760337      10.48004625       5.88855178       1.17142783      -1.20843397       1.71400761 
O       8.50720393       9.46000695       8.43714316       2.14555450       1.47587909       1.07006406 
O       7.12269733       3.26585476      10.21413811      -0.15553030       0.62601601      -0.99515507 
O       0.57971923       0.42168881       5.04900787      -0.04455552       0.87719503      -0.19432799 
O       9.55054261       9.68576892      10.84060419      -0.39770476      -1.16412118      -0.35337042 
O       1.89504997       3.19290206       5.70822347      -2.02090865       0.03170414      -1.91880867 
O       9.70924157       3.77634362       0.38840277      -0.85728940      -0.09399631       2.08371777 
O      10.30336145       2.86995328       5.41784801      -2.06061608      -1.61398119      -2.36589655 
O       5.06969923       6.41608024       0.09321468       3.73958379       8.50504172       1.60505610 
O       1.16952468       2.67845508      10.67832013      -2.62790983       2.82452242       1.18416676 
O       7.01107861       8.38359621       4.91168791      -2.58270093      -2.41954676       7.06465171 
O      10.33530456       1.95317797       2.83816086       0.48844568      -2.73556238      -2.01460546 
O       7.06507935       1.99347712       4.32060250       2.80787618       0.24837660      -0.10625510 
O       2.34689037       0.85987049       2.79518628      -0.98400647       2.73561881       3.26460511 
O       5.24795918       4.85256492       8.75461479       0.68436051       0.15013182       0.20798605 
O      10.13345460       7.61432054       9.06649247      -0.56374235      -1.22964497      -2.04322134 
O       3.31283610      10.21787117       8.75294617      -1.72276428       2.58706604      -3.64295176 
O       3.43997941      10.84517482       0.36736368       1.46506218      -0.76783672       0.12984062 
O       1.70770866       5.19947087       7.53298533       1.62146220       0.93968326       0.10570757 
O       4.19843563       5.25431949       6.62433937      -0.05577435       1.00716819      -1.10529044 
O       3.08664943       2.53032338       8.28150124      -2.47958344      -4.51196375       7.90607094 
O       5.20657104       7.80513794       6.70168856       0.16979577       2.18351824      -2.96569484 
O       4.74375507       1.39824729       2.56028694       0.99828104      -2.52351758       0.80357708 
O       2.01631217       3.76856015       2.73702223      -0.47586849      -1.38375265       1.18979180 
O       9.06378142       7.77286111       4.03443334       2.88647296      -1.44747181       1.89310566 
O       3.57569404       1.13985685       5.97096004       0.15754588       2.62300455      -1.82536052 
O       8.37708511       6.29743540      10.17374180      -1.90947538      -2.07617221       2.50944007 
O       1.00185044       7.49103493       7.29888035      -0.89241099       2.37798277       0.50681940 
O       0.58521581      10.38061598       7.12864325      -2.05184047      -2.04386998       0.02311257 
O       7.59087916       4.62664314       7.39640935      -0.02779801       0.92220067      -0.13860163 
O       8.14557611       4.62523420       4.41664971       0.52042797       2.00223224       0.67595542 
O       6.47969853       0.47443184       0.48551108       0.93740908      -1.41173688      -0.29793265 
O       5.36973902       2.79198278       6.41778827       3.82664528      -0.68344686       0.73793938 
O       8.61295924       1.95978287       8.02689641       1.74183982       0.21119627      -0.22945052 
O       8.67757544       7.82880775       1.58074036      -4.28754940       1.78162685       4.71063092 
O       4.83532621       3.56879005       4.03841773       0.12557610       0.50111651      -0.17703830 
O       4.29186364       5.00855750       1.64352791      -0.08777263      -0.62180392       3.20059550 
O       0.76982087       0.68634239       9.08179777      -0.03105530      -0.11049473       1.72862696 
O       8.86389005      10.63142325       6.16216317      -1.07206018      -2.55660463       0.48559497 
O       2.26299424       5.40382365      10.54198538      -0.56966724      -0.70511620       1.15673737 
O       5.78169466       8.55363497       2.03048906       2.68908857      -0.12878116      -1.03448780 
O       0.44936862       9.36538398       3.08963667      -0.75124199       0.62939914       0.47540870 
O       8.98923023      10.36145504       3.90415992      -0.55033514      -0.19110094      -3.16582957 
O      10.84655282       5.96122145       1.01316624      -2.33619630       7.76629500      -1.49673832 
O       7.30415188       7.57563498       7.92628127      -0.42729646      -1.14582903      -1.04659786 
O       1.02208333       6.97109506       4.51567190      -1.11677648      -1.00981896       1.80930978 
O       9.23005454       1.24812876       0.02987964       0.31295648      -0.04330528       0.99143389 
O       1.14966036       8.40595608      10.10992191       1.48451444       2.01344628       0.27620625 
O       0.16385150       2.53649500       7.77982829       1.22812329      -3.09319302       1.91696031 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0073240673766296425 -0.016264299080202882 0.01418544967199162 -0.016264299080202882 -0.02907202309364768 -0.0017126845844435382 0.01418544967199162 -0.0017126845844435382 0.0057793384448317124" pbc="T T T" energy=-915.7080376 free_energy=-915.70813997 config_type=amorph 
Hf       9.50107527       2.49596451       9.84670929       0.20923866      -0.02487850       3.25745032 
Hf       4.59975584       6.89164353       1.68722824       1.94159419       5.36105452       2.30856214 
Hf       7.35633277       7.77257385       3.53467480       0.23535465       0.17924991      -3.58166302 
Hf       7.41817940      10.84337592       9.91347082      -3.60989739       2.99895973       0.02960423 
Hf       3.54800956       4.08020365       9.75853174       0.64886013       1.92254913      -0.54185106 
Hf       0.24429161       3.73653312       6.93001404       0.60227738      -1.51360600      -0.68813005 
Hf       2.57093779       1.13201953      10.55619984      -3.23928209      -1.49115314      -0.61293059 
Hf       2.96745645       7.17279390       5.69455368      -0.72964255      -3.62956900       0.31068768 
Hf       5.27675503      10.63829750       1.99377339       1.23690584      -0.89907338       0.56465576 
Hf       0.72752818       4.29275647       1.19026088      -1.24340525       2.85232335      -0.38517454 
Hf       2.31341944       9.74909680       2.44154450      -2.05851684      -0.60432205      -2.12160071 
Hf       1.30042766       2.47035196       3.86461942      -0.42511774      -1.37154016       3.15909436 
Hf       9.26229566       7.61934172       0.51149058      -2.86226789      -4.05325880       2.45523623 
Hf       9.19971969       5.79769792       8.19674659      -5.27640445       1.20161872       2.99992912 
Hf       4.54883364       3.52373756       2.18428746       0.35452513      -2.70621139       0.95270526 
Hf       9.10369647       3.08739885       3.64607975      -3.91778291       0.09701236       2.35118546 
Hf      10.16660873      10.77713572       1.58760755      -0.43668862       2.54764484      -1.35363998 
Hf       5.88922541       6.80717560       8.29926084       0.36733619      -2.90528992      -2.23216421 
Hf       5.58069627       1.77135887       4.92207973       1.67422123      -1.40992515      -2.14130739 
Hf       3.36978326       3.52488985       6.52234330       1.68438828      -1.94687882       1.05558220 
Hf       4.91970620       9.28157319       4.92295171      -0.79554100       2.10321360       0.53178517 
Hf       1.38737258       6.50820147       8.53523962       1.46140975      -0.10686602       1.87083502 
Hf      10.79971261       5.98083336       4.63971301       2.18670440       1.25178012      -1.26029399 
Hf       3.52422381       8.39767550       9.74366156      -3.24312311       2.67965194       0.69564499 
Hf      10.13094938       9.52574570       4.80490820       3.03434603       4.38633809       1.45677946 
Hf       7.63673502       4.60636215       0.83306429       4.60837364       4.63278739      -2.45534061 
Hf       9.70869843       1.10080684       7.03482083       2.58839637      -3.31474552      -2.13228562 
Hf      10.33772824       9.48032529       9.20338165       3.07653842       1.27444604      -2.55915713 
Hf       6.03888776       5.27577036       5.14215915      -1.33713147      -1.76648973       1.11042102 
Hf       7.35224904       9.49078051       6.98067157      -4.36136916      -1.08596538      -1.84318023 
Hf       6.43778906       3.15852344       8.15641890       1.21899507      -0.19031879      -1.36984071 
Hf       2.02037028       0.35277783       6.52125549       0.28337661      -0.37522457       0.72394582 
O       0.41157784      10.26605736      10.69991376      -1.46012463       0.24726936       2.22198358 
O       3.19313710       9.72536718       5.99920721       0.78393258      -2.54829897      -0.07592146 
O      10.80899230       4.78894044       8.55597647       1.66533052       0.43174958       2.85780149 
O       3.81533283      10.12867063       3.44629141      -0.58711733       1.47254038      -0.38862006 
O       3.27612043       7.29134582       8.07019354      -1.08980046       0.52947073       0.75633795 
O       3.01911678       7.79333773       0.81479292       1.14772587       1.14661428       2.00472702 
O       6.13959072       9.68962662       8.53284579      -0.03566365       0.40653465       0.79692042 
O       7.55387850       1.83932176       9.18719362      -0.47155440       0.47884951      -0.23205630 
O       3.78736749       7.73232888       4.03146097      -0.66578114       1.69705755      -1.04704549 
O       6.43390389       3.27205092       1.30693800      -1.69338576       0.48752838       0.87575235 
O       6.38183233       9.78308872       3.41974467      -0.39769829       0.34159617       1.36387130 
O      10.10350678       5.63997777       6.51209902      -4.73015090      -2.44136929      -1.64726474 
O       5.52367366       6.38155473       3.64832072       2.06205249       0.24742924      -2.31822775 
O       3.75156582       2.56434700       0.30480193       0.60768257       0.92933204       0.76027685 
O       0.00458410       4.21419940       3.50978778      -0.18297389      -0.27740010      -1.40751883 
O       5.75543736       0.07695858       6.07776331       0.68965903      -1.59754552      -0.68955248 
O       8.73672438      10.20757543       7.93173182       0.58381978      -0.78001618      -0.32251448 
O       8.36272475       4.40513057       9.68950720       0.31624311      -2.47000745      -0.87288784 
O       0.79290313       0.70607481       4.87293634       0.05663954      -0.07983167       0.42957040 
O       8.44698326       9.42440569      10.21482716       5.40656010      -6.03618783       2.39749117 
O       1.69895236       3.75210625       5.58049749      -3.15840392      -0.44386227      -2.03613701 
O       9.51151996       3.81885909       0.99033119      -0.39338891      -1.38548876       0.84791167 
O       9.99966740       2.86881521       5.40635297       0.75044072      -0.42552111       0.26729322 
O       5.03958813       7.20399585       9.98200975       0.27274341      -0.43704336       2.27015128 
O       0.98446734       2.81271832      10.69379414      -0.24863999      -0.14778700      -0.61728490 
O       6.51268016       8.29646489       5.36505298       3.81728604      -0.93369265       0.95243337 
O       9.82716599       1.52735853       2.83323435       1.18270744       0.04401632       1.61666686 
O       7.45643082       2.29276955       4.77766991       0.21559368      -0.62591921      -0.90400498 
O       1.15046080       0.80553342       1.70179358       3.78173079      -0.98290639       1.94754110 
O       5.67444498       4.38171969       9.23927691      -4.04054523       3.57432474       4.22049917 
O      10.29347879       7.34625567       9.27938324      -1.08977463      -0.82758760      -0.83070127 
O       2.50070722       0.54334141       8.68232314       0.78058311      -0.97842175       1.30634813 
O       3.51635621      10.42730083       0.76866011      -0.20984252       0.28945048      -0.65300357 
O       2.61764903       4.76717170       7.91109279      -1.80084766      -0.04589125       1.93626956 
O       3.74042968       5.14306859       5.74374451       1.58750521       2.18683728      -1.55400545 
O       3.88749822       2.67201834       8.48752363       0.12325244      -0.23744588      -0.04380483 
O       4.92750107       6.92640365       6.46159598       1.95837123       0.95029204       0.93438648 
O       5.19616174       1.50128915       2.85091437      -1.21003824       1.31795001       0.18743049 
O       2.34558348       3.55436140       2.62298862       0.81094953      -0.13562094      -1.94736466 
O       9.45202069       7.89814223       4.46083055      -1.69246585      -4.85180899       0.50971211 
O       3.20545614       1.78087067       5.14512847      -0.28300877       0.04393072       0.58851674 
O       7.79697874       6.50860924      10.47467648       1.02342561       0.93820608       1.67727915 
O       0.98064829       6.60180948       6.35852502       4.06651365       3.04245731       1.45000803 
O       0.54686658       9.93192707       7.17990374      -2.23020852      -0.32726020      -0.80665887 
O       6.89199289       4.98091785       7.31275913       0.97642975       1.32382632      -1.11253020 
O       7.77008644       4.78647008       4.39563885       0.78273611       0.72025236      -0.31475673 
O       6.36464996       0.42486940       0.64758203       1.02712752      -0.18500291      -2.78329025 
O       5.38088438       2.79385843       6.54098595      -0.04192043       1.46351119       0.87556296 
O       9.43201762       2.77013511       7.83974879      -1.55471934       3.76576096       0.08107392 
O       8.41906319       6.44723105       2.37890339      -0.89701196      -0.20195930      -1.34759782 
O       5.07006661       3.71084479       4.12891127       0.16956623       0.53296639      -1.10127924 
O       4.15442437       5.21080165       1.14306143       0.48744073      -3.49378292      -1.04645645 
O       9.86868637       0.66881914       8.97234186       1.98218643       2.59330265       2.94081025 
O       8.88087559      10.77510590       5.58629414      -1.60836089      -0.59509178      -0.37806483 
O       2.12138526       5.59728132      10.35425846      -0.68174717      -1.28733728      -0.84294139 
O       6.41824728       8.14886645       1.78108639      -2.75143268      -1.74124087      -1.26454902 
O       0.78262270       9.33821377       3.64844622       1.96176733      -0.37414654      -2.60451385 
O       9.02406722       9.29981058       2.14962070       0.37124448      -1.91480304       0.25101087 
O      10.52274910       6.06848654       1.13167962       1.55320668       0.93157547      -1.00938403 
O       7.65547691       7.52668006       8.00249370       1.22318315       0.77370047      -1.72052875 
O       1.85631327       6.02977113       4.15372240      -2.00724306       1.75755592       0.18721327 
O       8.99042519       1.11879898       0.65519375      -0.71889143       0.48109906      -3.68572105 
O       1.54025980       8.59317623       9.64333119       0.80586628      -2.18913737      -2.02721371 
O       0.84744387       1.81319701       7.36903797      -0.96483990       1.67550242      -0.45937719 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.023537735534531652 -0.006728043338079397 0.010830517319205162 -0.006728043338079397 -0.046575655044035956 0.003423580589548945 0.010830517319205162 0.003423580589548945 -0.0034913615498938636" pbc="T T T" energy=-911.03581446 free_energy=-911.03815565 config_type=amorph 
Hf       9.76506890       2.19463336       9.94988143       0.55149841       2.30076918       0.08246242 
Hf       4.89111695       6.98894455       1.64553558      -3.13680082      -3.51370669      -4.26441784 
Hf       7.99790265       7.72059066       3.22325830      -3.49733305      -2.31164220       1.63535504 
Hf       7.51522323      10.72439410       9.53636192      -0.85685375      -1.75089680      -0.84407151 
Hf       3.04311194       3.15510998       9.74054003      -1.39502128       4.89733171      -2.56369178 
Hf      10.84391603       4.07021852       7.12158564      -1.12408838      -0.91925800      -0.51293424 
Hf       1.88584160       0.94029530       0.19836040       1.01629103      -1.14755563      -0.97281136 
Hf       3.34241556       7.17456056       5.72104961      -5.92127691       3.57058186       0.79883933 
Hf       5.42977427      10.84296718       1.63721038      -0.07354500      -0.84220004       0.02296112 
Hf       0.65228935       4.80705038       1.30219497      -1.24371091       1.02183158      -0.44515758 
Hf       2.62228589       9.06795558       2.59194637      -2.37951199      -0.73739778      -0.28202177 
Hf       1.35907851       2.01001353       3.70389444      -2.59487876      -0.08477063       1.95887445 
Hf       9.08615769       7.91778780       0.15663430       1.52957103      -4.19759123       1.53971131 
Hf       8.44328102       6.02445476       8.19459714      -0.36366938      -1.02626564       2.47142750 
Hf       4.22042313       3.77481135       2.04818016       0.93582299       0.27888180       1.34981752 
Hf       8.70640874       3.55177053       3.97634452       2.75307109       3.45118219       1.97930959 
Hf      10.13827688      10.65112092       1.70535978       0.72145825       3.47400262       3.48719578 
Hf       5.01352341       7.06042892       8.76595144       3.73271924      -3.64264069       0.97469508 
Hf       5.99171805       2.08915988       4.16771169      -0.84240780       1.61205672       1.69388536 
Hf       3.11935422       3.39802652       5.94512363       4.05122649       6.35536436       3.08015154 
Hf       5.07578943       9.84481876       4.85123697       0.02962845      -1.44282008      -1.25760088 
Hf       1.37175700       6.10733897       8.80076888      -0.06065373      -0.01979681      -1.83028738 
Hf       0.11285656       6.03009269       4.95855917       2.40218418      -0.53562752      -2.59785810 
Hf       3.08408060       8.85215628      10.12004004      -0.35450792       0.71432030      -2.08199176 
Hf      10.80288386       9.02173994       4.84780212      -0.76946761       0.32890159       1.42669883 
Hf       7.60453473       4.87325215       0.57535747       3.62305492       1.34170903       1.22435833 
Hf      10.01799045       0.74489944       6.79804030       0.95202585      -0.52003320      -0.23105450 
Hf       0.20754076       9.29559147       8.92102687      -0.69466067       1.80875534      -0.35626997 
Hf       5.89292407       5.49077063       5.41567609      -1.62611042      -1.62451063       1.38592275 
Hf       7.30275434       9.18714379       6.83193984      -0.93183921       3.66119155      -0.41854909 
Hf       6.07496823       3.26490320       8.49512818       1.57066387       2.21385366       1.30893428 
Hf       2.65325996       0.45941043       6.79348975       0.91291011      -5.66309818      -1.90152090 
O       0.61566606      10.23502705       0.34928251       1.31380233      -1.17173042      -0.24700976 
O       3.37020677       9.42535627       6.04785023      -0.14186372       1.42714487      -1.26166750 
O      10.17583740       5.17777345       8.61634935       2.64912437       0.66340820       1.23966070 
O       3.79152852      10.48909199       3.29364683       0.92517659      -0.91237295       0.86882588 
O       3.21157707       7.21623868       8.26419848      -0.37930012       0.49442849      -1.26992502 
O       3.11846454       8.05467361       0.95247234      -3.45308103      -0.54391948       3.89290187 
O       5.67520319       9.88492933       8.09674028       2.70323454      -0.10731823       0.04909324 
O       7.47074298       1.75819227       9.16515455       0.09367535       0.65756005      -0.65847913 
O       3.88729858       7.66287628       3.06737396      -0.31375417       1.88792914       6.06461770 
O       6.37493072       4.31033998       1.79335277      -4.68142366      -1.75677647       0.26356661 
O       6.46425883      10.10165294       3.10415390      -1.21225909      -0.75726376       1.34665918 
O       9.61789625       5.39602238       6.18070258      -2.66711850      -0.68780671       1.76714804 
O       6.27536137       6.33140995       3.83524405      -0.76950480       1.00344803      -0.78402135 
O       3.36729563       2.47144140       0.89653232      -2.86727928      -1.63086799      -3.04654541 
O      10.80892662       4.82505815       3.41690009      -0.62254521      -2.02461355      -1.47401171 
O       5.55591706       0.73767388       5.50898924       0.95787170      -2.45908531       0.93133771 
O       8.69118530      10.18903103       7.79409952       0.25106162       2.42758826       0.32324086 
O       7.97971412       4.24778985       9.57614963      -1.61536123      -1.32747658      -2.34453038 
O       1.08968959       0.65240388       5.70371656      -2.48378439       0.87259327      -0.03746865 
O       9.04973231       9.54710658      10.18537439       0.45890805       3.51018339      -0.23732985 
O       1.24950003       3.84067679       5.69504298       0.78192997      -0.41848904      -2.95477988 
O       9.86493137       3.70410386       0.54054123       0.54520003       0.80053715       0.87201732 
O       9.81579558       2.60873867       5.74502545      -0.94935815      -0.20155026      -2.46430208 
O       4.77907722       7.95970942      10.49867023       3.61145461       1.46034524      -1.87910064 
O       1.01944437       2.64576071      10.07015679       0.62117635      -1.94732421       1.70694223 
O       7.00500100       8.23116832       5.24104596       1.14516457       1.23370193      -4.49606900 
O      10.31409720       1.05545677       3.46441611       0.65597223       2.10785321      -0.69915229 
O       7.69419797       2.17524140       3.32752921       0.66005821      -1.25066884      -1.16322100 
O       1.36178619       1.28470276       1.98640344       0.15170814      -1.13095851      -1.62149725 
O       4.71264627       5.63373037      10.15464166       1.75541311      -0.25245800      -1.93532712 
O       9.89781442       7.75331890       9.03026294      -1.59038642      -3.72668306      -0.30218224 
O       2.08363421      10.19565461       9.01969286       2.05019350       0.28870809      -0.15933804 
O       3.61182858      10.42940034       0.69946806      -1.36350574       0.98914076      -0.67149387 
O       2.61134984       4.38885243       7.95966296      -1.14320815      -1.39942498      -0.12591410 
O       3.73224638       5.40303244       5.60892803       0.92856751      -2.35844636      -0.72885892 
O       4.92789624       2.90158351      10.11951807       2.16990491      -0.20951216      -3.20089948 
O       5.07053104       7.66312250       6.14185373       0.95298066      -1.04177874       1.07507754 
O       5.16074959       1.72244661       2.47851258       0.27519004       0.20875471      -1.15182300 
O       2.26078193       3.67463991       2.80202850      -1.69770792      -1.85182996       1.51373736 
O       9.59842145       7.27255313       4.26795717       1.03735831       1.92128425       1.52186358 
O       3.37580040       1.70476778       5.24927106      -1.85644917      -2.93047446      -1.17211452 
O       7.91351582       6.54798603      10.32050647      -0.85676679       0.68469432      -1.27836603 
O       1.18009563       6.50540802       6.70852970       0.39098579      -0.45520647      -0.65423750 
O       0.32056581       9.34679290       6.96285801       0.20010280       0.28466840      -1.78613744 
O       6.23511119       5.29348860       7.63458286       2.23363686       1.91496945       1.24824485 
O       7.25527751       4.08589054       5.28709528       1.74677202      -1.89814448      -1.58003001 
O       6.78791750      10.09930526       0.33785304      -1.78668453       1.22029324       0.60393180 
O       5.09682331       3.47413603       6.81535023      -1.20407776      -2.60725448       0.47997409 
O       9.96001465       2.65116219       7.93690227      -1.20635792      -3.40728901       2.71029047 
O       8.22455777       5.57214993       2.66421001       2.05656845      -0.17780194      -0.66944098 
O       4.79661785       3.64891956       4.15995949      -0.76537088       1.28212258      -0.10650802 
O       3.44798750       5.45377519       1.57784703       1.37433624       0.63018840       0.61789775 
O      10.84216251       0.44393534       8.91496490      -2.65497914       2.78039250      -1.14381657 
O       9.16355063       9.96068601       5.30359598       0.22127676       0.82011749       0.44963987 
O       2.00792444       5.11240284      10.26968838      -0.68464711      -2.51384466       3.04215548 
O       6.68896892       7.39937357       1.66031836       4.20888699       1.86397835      -1.04808199 
O       0.68477528       9.79657602       3.23475454       2.27601720      -0.52255068      -0.82102354 
O       9.29868499       9.02895269       2.18949428      -2.37235350      -2.98364545      -0.86691621 
O      10.56726790       6.45595371       0.83471120       0.27201584       0.01738763       0.15646150 
O       7.44523128       7.67973664       7.78545123       0.20272785      -3.36433861       2.54513631 
O       1.35703925       7.28002632       4.01975054       1.77584375       2.41117279       1.12378650 
O       9.14932098       1.06243480       0.58108811      -0.62321918       0.13867629      -1.12446292 
O       1.40480323       7.78093770       9.68710252       0.07977703       2.29867876       1.91000336 
O       2.72079153       1.54810352       8.22666326       1.27134807       4.53418918       2.97300348 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.028501786430511374 -0.0076000586089690625 -0.014751255400418337 -0.0076000586089690625 -0.010887531376715495 0.0020900602321409184 -0.014751255400418337 0.0020900602321409184 0.0072618658448470605" pbc="T T T" energy=-920.69844248 free_energy=-920.70008177 config_type=amorph 
Hf       8.78561166       2.97996765       0.37578474      -4.08130558      -0.30002948       2.93016278 
Hf       3.42044513       7.00513443       3.46327185      -1.03581507       0.24947727      -2.17907970 
Hf       7.87466643       7.82088608       3.68140223      -0.06060087      -1.33388012      -0.90257219 
Hf       6.59723233      10.74951561      10.10263110       0.92136710       1.26144231       1.98051017 
Hf       3.37248302       4.34102842       9.97727247       0.85484342      -1.82916700      -1.96891699 
Hf      10.41255366       4.29253196       7.58876239       0.09067834       0.98433100      -0.80786740 
Hf       0.89081721       1.73448784       9.27051729       0.12785788       1.01740829       4.60675588 
Hf       3.71863706       5.85666892       6.46530494      -1.06656314       2.26676072       1.50561660 
Hf       4.74090419       9.43686629       1.98134730       3.73498676       3.85640652      -0.78291158 
Hf       1.24558001       4.04222745       1.35376421      -3.20796560       1.19837052      -0.46558181 
Hf       1.46754584       8.52134847       0.74768996      -4.43966290       1.21479956       2.47233235 
Hf       1.69784034       0.45231428       3.56308926       3.49314517      -2.09945923      -4.12065909 
Hf       9.14937190       6.88450439       0.25428695       1.84100246       1.00839840       0.80222360 
Hf       8.99279221       7.12312876       7.62776159       0.79688574       1.73220120       1.64829429 
Hf       4.31727285       2.09813115       1.16176010       1.33894180      -3.70550087      -2.78529827 
Hf      10.63051620       2.61906133       4.58327024       0.14106427       1.00274325       2.43794663 
Hf       9.86184284      10.84391505       2.64458909      -6.51976166      -2.05638449       0.14104695 
Hf       5.62276924       7.12677433       8.98914176       2.05851014      -0.22893234       2.32035851 
Hf       7.10272803       2.39141264       3.47326926       2.52069596      -2.91004155      -1.55473767 
Hf       3.54594240       3.64043531       3.81023165       1.10578316       0.21658192       2.22769877 
Hf       4.66363446       9.18060316       5.76862838       1.51686474       4.44437937       0.54579401 
Hf       1.72081978       7.06217148       8.50694327      -4.33505949       4.22006623       3.73596128 
Hf       0.67227352       5.92884625       4.08259379      -2.80740727       1.74378212      -0.73977664 
Hf       3.48096826      10.27027364       9.11950246       3.00755267      -3.64214399       0.78080775 
Hf       0.88516354       8.92546235       5.96463577       0.26224814      -0.89633505      -1.62018081 
Hf       6.12995473       5.79796737       1.68843146       3.00234461       1.15770913      -0.03993952 
Hf       8.54044177       1.66654818       7.96181903      -5.17327694       1.62488779       2.45507406 
Hf      10.17976187       9.97082118       9.29979451      -2.70642990      -4.21731839       2.05847117 
Hf       8.43788975       4.75329032       4.66575645       0.10484943       3.04457630       1.98881210 
Hf       8.34874805      10.03676913       5.75554527       1.85057987       0.71118164      -1.91351477 
Hf       5.40639900       3.28016399       6.87850071       5.02541258      -0.94629893       3.32275627 
Hf       2.97037594       1.64207153       6.65178002      -2.14968989      -2.08521875      -0.01270356 
O       8.38833979       9.54081672       3.20562051      -0.16439128       1.18731796       0.33470874 
O       4.00089532      10.68389183       7.04439288       1.10553577       0.93705954       0.59643557 
O      10.58785808       6.14357382       8.70732296      -0.52606629      -1.21792265      -1.44656977 
O       5.10601365      10.15871040       3.65948866      -1.07432790      -0.61946676       3.51898594 
O       2.68142517       8.39630424      10.02983615       1.16921203       0.33653074      -0.99221726 
O       3.08053849       8.47902494       2.12243029      -0.83952721      -2.17137488      -0.29613695 
O       5.33311844       9.27098987       9.67734319      -0.63409645      -1.39312390      -0.97610481 
O       8.15817785      10.61429364       7.59394728       0.20584459      -0.90978258      -1.64262457 
O       4.73113574       7.97828075       7.48578729      -1.01534982      -0.63399140      -0.47426584 
O       5.00810088       3.48050405      10.70044702      -0.48004609       1.30693564       1.75016968 
O       4.21202910       7.43044264       5.25986839      -0.65451171      -2.97130771      -1.85964878 
O       8.72806393       5.47651504       6.74085408       0.58219728      -2.77063216      -1.28647525 
O       5.81160709       7.85069374       2.72187478      -1.29237896      -1.52344282       0.39329437 
O       3.73476060       2.85671699       7.99189040       0.59683675       0.61686570      -0.58477064 
O       0.02329678       4.15985472       3.11136166       3.31707566       1.04131943      -1.22213085 
O       6.61260603       9.15773531       5.75318162      -0.13498142      -0.39072621      -0.77160264 
O       8.18254354       9.42781665       9.72770477       1.59542018       0.74966353       1.37159580 
O       7.85508384       1.47649821      10.14148809      -0.26657757      -1.57692848      -0.57870922 
O       1.74997129       2.69422623       4.61200833       1.99377747      -2.60668498       0.69918838 
O       7.72368852       7.49116531       1.27487884      -1.26158431      -0.80075564       1.48809429 
O       0.27115242       4.66279733       5.59349115      -3.03842953      -1.82992728       1.52546206 
O       7.04105325       3.59255962       1.90131952       0.67574105       0.89547869      -0.40295114 
O       9.55263018       2.73748482       6.75718846       1.24271044       1.04464386      -3.56997237 
O       5.23440262       6.79778344       0.12244805      -0.26899815      -2.06762079      -0.32519722 
O      10.68274942       2.92928960       0.41095089       3.63853610      -0.31929496      -0.14920305 
O       8.98977457       7.88428246       5.78724758      -1.61642474       2.48777021      -0.25987561 
O       0.14744102       1.52878430       2.92578995       0.87578823       1.34489944       1.33772262 
O       8.57379893       1.02312370       4.61963514      -0.18698260      -1.95572816       1.02510924 
O       0.64621706      10.02778799       2.13515189       2.65724583       0.46324604       0.55339214 
O       8.99233863       3.17958521       9.30204742       2.93478559       3.19399271      -3.37703584 
O       8.81700305       5.01903964       1.02497058       0.83778481       1.21243993      -2.24291751 
O       2.20665233       0.63875820       8.52722133      -0.76834872       2.40846783      -2.95742534 
O       3.13292696       0.11443431       2.05720842       0.02972086       2.07498227       0.76411742 
O       2.51126764       5.21566215       4.70679187       2.30453995       1.07587347      -0.76696836 
O       1.77528225       7.88409453       4.29561712      -1.37100144      -0.00404377       1.92144336 
O       4.70773192       4.48774000       5.61563921      -0.81209631       2.60791001      -3.17001500 
O       2.82439402       5.50356909       8.38527189       3.10742955      -1.32044798      -0.32923291 
O       5.22719324       2.71621644       3.00832827      -3.59680320      -0.80902658      -0.61475933 
O       2.64165212       2.88659033       2.12676318       1.13922902       0.98340011       2.35912603 
O       9.51059880       6.64445621       3.81838152       1.94011705      -1.76213634       0.51861626 
O       4.16650001       2.31244117       5.20684939       0.31345389      -2.11412654       2.60814977 
O       7.62935389       6.84944149       9.07223516       0.12080303       0.57174550       0.11561415 
O       1.68373640       6.61166836       6.66733979      -0.50503152       0.60402186      -2.40692252 
O       2.00650030       8.95515352       7.53970357       1.59276693       0.32474738       0.83015863 
O       5.67356974       5.28506514       7.99952166      -2.44443465      -0.57000964      -0.74049627 
O       6.56230763       1.90798663       7.83713078      -1.02399913       0.68624456      -1.15302703 
O       4.55694942       0.81146610      10.20957214      -1.49251173      -0.66860435      -0.92799221 
O       7.10093531       3.43733166       5.50455137      -0.47752109       0.06858469      -2.09905660 
O      10.26814949       0.82885245       8.37080383       2.52411814       0.37637010      -0.30427302 
O       9.05226890       3.12765500       3.74396842      -3.90464992       2.38906279      -1.13471475 
O       4.59501954       5.41977903       2.84262521      -2.00783449      -1.11665654       0.02511905 
O       2.61028733       2.58051973      10.76530891      -1.63729809       1.81364943      -2.14454355 
O       0.83048905      10.73520584      10.43739160      -0.36201165       0.78689942      -0.22402191 
O      10.46542219       9.84577206       4.59277031       0.65904914       1.80132463       1.52611014 
O       1.73383602       5.34942144      10.63872100       0.83718272      -1.39944389       1.35459116 
O       7.23046887       5.88404400       3.64427271      -1.88250249      -1.77416497      -0.32671383 
O       2.14201593      10.61564396       5.34381348      -0.40009675       0.11565730       0.66634070 
O       6.05881135       0.18587092       1.17713575      -1.17377953      -1.01568816       0.04556020 
O      10.44379762       8.03381582       1.44414647      -0.83849958      -2.24086611      -0.86892508 
O      10.42643297       8.70380137       7.79426671      -0.38757204       0.06224895      -3.26368808 
O       1.50391509       6.31076158       2.30671759       1.89164871      -1.85332728      -0.62183421 
O       8.35929989       1.20629453       1.78770204       1.83953328       1.30384880       0.93957659 
O       0.11938025       8.26210754      10.03953664       0.76601706      -1.44548936      -0.26080004 
O       1.15063863       2.98336276       7.71117298      -0.13612789       0.20319692       0.42550206 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03603066691934093 0.021752902593596503 0.008508819435395922 0.021752902593596503 -0.015294213385640736 -0.016713285191135404 0.008508819435395922 -0.016713285191135404 -0.04217957000037633" pbc="T T T" energy=-917.9571246 free_energy=-917.95759031 config_type=amorph 
Hf       8.65607984       2.64161228       0.23348215       3.97748068       1.35881226       2.11335408 
Hf       3.31404539       7.27770751       3.02198123      -0.79769504       0.00308645       0.50046966 
Hf       6.73319427       7.77435581       2.63291915       4.03237391       2.91659107       2.52673529 
Hf       7.22363447       9.76233049      10.72981913      -1.88515581      -1.00805331       0.03978521 
Hf       3.47316710       4.16509683       9.55763660       0.66168197       3.03649981       6.04797055 
Hf       0.46601566       3.50586342       7.44383711      -5.47014773       0.89720921       0.93056618 
Hf       1.39569778       1.48587996      10.36348909      -1.05689674      -2.68217212      -0.41067769 
Hf       3.47624683       6.32810896       6.28750541       3.50479834       1.02582420      -0.91903599 
Hf       4.47191631      10.46212196       2.05691442      -0.83070874      -0.60616283      -1.22838323 
Hf       0.80836628       4.19623342       1.05323534      -0.50525327       1.57007948      -1.00616240 
Hf       1.35782384       8.66470631       0.67456834      -1.32921953       2.64721317       0.64758393 
Hf       1.83542661       0.09756190       3.50970484       1.50023575       1.58420309      -2.59864030 
Hf       8.92277138       6.72508435       0.61476021       4.76268097       0.49607503      -2.37314705 
Hf       9.14611597       5.93003980       7.82954652       0.85266552       3.49742157       2.50347132 
Hf       4.21923479       2.85955159       1.68445282      -2.47810141      -4.07042016      -2.98505092 
Hf      10.30711829       2.86702163       4.64922666       0.26775574      -2.58015660      -1.28845099 
Hf       9.66725133      10.72122740       2.82195166      -3.08688960       1.61494629      -0.05721743 
Hf       5.18849389       7.21690298       8.95537782       0.49494015       3.36670265      -0.21890862 
Hf       6.98049016       2.21063737       4.21610328       2.64871014      -2.29972425       4.25999287 
Hf       4.07221989       3.93130397       4.41579011      -2.00488776      -0.98223459      -2.88646433 
Hf       4.51322260       9.65469747       6.06539899      -0.92918017       1.65385364      -2.39131611 
Hf       1.72580861       7.43474415       8.76158186      -0.09329352       0.36724395      -0.43056333 
Hf       0.62290085       6.38280365       3.49846611      -1.48431315      -1.07415711      -0.98200207 
Hf       4.28511294      10.53493939       9.25861839       0.12668364      -3.46236269      -0.24300376 
Hf       0.94982935       8.82588497       5.54380690      -2.35903507      -1.45410938       5.43926809 
Hf       6.12634032       5.25498944       0.99754274      -4.68931589       0.35321502      -2.49637147 
Hf       8.46330515       1.53736886       8.05246836       1.20950601       1.39844048      -3.91124145 
Hf       9.80932117       9.80487343       8.58140359       3.32338717      -3.27743726       0.08575163 
Hf       8.60576983       5.49741896       4.85293165      -2.65571155      -0.84076426       0.84599286 
Hf       8.39611631       9.05212494       5.72383199      -2.04515389       0.70007610      -0.18359607 
Hf       5.79124055       3.99143476       6.83669644       1.93393548      -0.19522348      -0.44773815 
Hf       3.00846495       2.05582054       6.92793429       4.67069923      -0.84170804       3.61551781 
O       8.73288557       8.32525748       1.73145924      -3.16975791       2.82587488       1.95672191 
O       4.42438053       0.53244162       7.24351746      -1.30351982      -1.57643916      -0.08923099 
O       0.12987716       5.54504420       8.00224900       2.05515532      -1.12584549       0.34650765 
O       3.93004919      10.59857841       4.00283731       1.33788351      -0.21155055      -1.19970650 
O       3.40122546       8.86229927      10.24191889      -1.82872077      -1.14517652      -1.67233937 
O       2.98542069       8.84422060       1.89714296       1.49626237       2.71700931       0.22624492 
O       5.88746321       9.33418497       8.95442419       2.16061191       0.07825850       0.20978483 
O       8.43955066      10.46596468       7.35863475      -1.51407079       1.72968780      -1.03375087 
O       3.94186504       8.63991363       7.60045219      -0.85224650      -2.32423103       0.66524452 
O       4.96154347       3.22487459      10.75676864      -1.41861546       1.31601437       0.38405335 
O       3.89897503       7.78852543       4.77792471       1.87636972       0.66504714       4.03495072 
O       8.06322169       4.83442556       6.72866380      -2.40184325      -0.20426944      -2.12930449 
O       5.05808053       7.01557868       2.30157841       1.79047849      -1.07840396      -1.46932883 
O       4.43587177       3.38919986       8.13466318       1.35682043      -2.34200504      -1.98476799 
O      10.83770239       4.05829389       2.96856391       0.58892261       2.41478684       0.98825989 
O       6.31814912       9.42356790       5.83837443       1.96222602      -0.29714991      -0.53284963 
O       9.20682431       9.54419566      10.41204471      -2.19901089       0.41994560      -0.15067141 
O       8.09980807       1.24219587      10.00830755      -2.06863058      -2.62087721      -2.45681254 
O       1.51964335       2.47628909       5.85630089      -2.07260111       1.01658342       0.14488044 
O       6.72206422       7.83634369      10.56399905       0.20513780      -1.12165944       1.80608731 
O      10.30543328       4.39947299       5.77478785       1.08616161       2.40741974      -0.21791038 
O       7.29778864       3.99529148       0.37804189       0.94740845      -0.56367810      -0.54900732 
O       9.85649055       2.06828636       6.47489318      -0.06373032       0.35704096      -2.13856963 
O       4.84344557       5.96697467      10.32168558       1.17276627      -2.14485355       1.78005706 
O      10.76549954       2.33334380       0.47798871      -1.99500054       1.38859197      -0.21925379 
O       7.43042201       7.17287207       4.86860400      -0.11126873       0.76731689      -2.51654772 
O       0.23650391       1.23938407       3.55677955      -1.13623522       0.28751786       0.73605901 
O       8.09911619       0.13998932       4.13083567      -0.43745348       1.01964622       0.65853500 
O       0.51895975      10.16920199       2.08588191       1.86953279      -1.22584334       0.73651409 
O       9.35051761       3.23655278       8.53618163       1.02773765       1.49770094       1.27370209 
O       9.84582308       4.89557772       0.27901037       1.01365838      -0.54379619       1.80959610 
O       3.09747062       1.14833339       9.47794981      -0.35468201       1.26895426      -1.42907145 
O       3.09683281       0.98730997       1.64843390       0.78486011      -3.38397912       0.48270730 
O       2.24395511       5.83148498       4.41819707       2.73796007      -1.15896184       3.06055301 
O       1.48434519       8.21809639       3.86762674       0.59717646      -1.42334453      -2.33792214 
O       3.50608142       4.36244466       6.26267886      -0.93457801       1.92626347       0.00968472 
O       3.08901861       5.99525115       8.59857390       2.62378907       0.46399645      -1.55342048 
O       5.89122863       2.17515867       2.77778146      -3.04188266      -1.45436120      -2.30205831 
O       2.85130368       2.66477118       3.23981588       1.66957342       2.52970565       2.44259120 
O       9.91754402       6.97117725       5.12705914       1.72614650      -0.51502364      -1.19398831 
O       4.39042194       2.44993516       5.67428713       1.96596021      -0.98247658      -2.70362666 
O       8.65416130       6.50866982       9.57351142      -1.13062684      -0.45177191      -1.29863605 
O       1.92505272       6.92354202       6.84909821      -5.25332053       2.76192266      -1.72188795 
O       0.58626866       8.90160278       7.58563847       0.65018222      -0.30485947       1.25264875 
O       5.69107280       6.01344066       7.33223316      -1.42326604       0.89642075       0.98546481 
O       6.80097434       2.28676186       6.46106119       1.66893964      -0.35596415       0.63365252 
O       5.30737529       0.08706683       0.01226791       0.95271593       0.31480265       1.69954433 
O       6.13309960       4.42420444       4.85587437      -1.94771964      -0.87419730      -0.42194045 
O      10.47222066       0.71727043       8.34622383       0.81902189       1.86693360       1.81259494 
O       8.35461504       3.52703680       3.89684805       1.98952442       0.50306907       0.72731708 
O       5.02953774       4.41609875       2.37040970      -0.40882873       2.34723835       2.40490911 
O       2.21880592       2.88319240       0.60343811       2.53172198       0.47981304       0.28228564 
O       1.00542240      10.36921842      10.58015592       0.56852383       0.06237408      -0.43800736 
O      10.22943971       9.75659822       4.89992678      -1.22936946      -0.19491474      -0.86806851 
O       2.06841946       5.15938255      10.62864358      -1.53000550       0.70870519       0.50197995 
O       7.63876223       6.11820803       1.94713304      -0.81565969      -1.27042438       2.03571038 
O       2.04042415      10.33857970       5.37922835       0.66533218       1.63775058       1.30333437 
O       6.31334409       9.63771280       1.97790279       0.70233587      -0.59667599      -0.00544286 
O      10.84184463       7.49304499       1.94772135       1.30836007      -2.22029398      -0.42164988 
O       8.85732630       8.23380631       7.40181832       0.56597485      -3.34255128       0.17601179 
O       2.42912351       5.86486623       2.18448787      -3.13189085      -1.08047317      -1.93606053 
O       8.57849799       1.34525934       1.74318357       0.82411813      -0.99244530       0.94072691 
O       0.38970054       7.65271201      10.14103776      -0.10152863      -0.30679992      -0.12434926 
O       1.90964504       3.24028336       8.89143905      -3.61557646      -2.21072971      -3.93866715 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013768568304900834 0.010404480575728547 0.012043332401371166 0.010404480575728547 -0.0028960263367737694 -0.0059864374972659696 0.012043332401371166 -0.0059864374972659696 -0.03353521248685543" pbc="T T T" energy=-919.59279431 free_energy=-919.59284461 config_type=amorph 
Hf       8.58603958       2.52274803       0.43171835       1.84824272       3.42475867      -3.42672524 
Hf       3.35734513       7.37326044       3.06058244       1.00835395       1.41144436       3.10046519 
Hf       6.94313917       8.06884138       2.59337257       1.12882880      -2.26804822      -2.95095518 
Hf       7.20047025       9.92307935       0.06466929       3.12840306       0.86842131      -0.18196985 
Hf       3.43160558       4.21098580       9.57918886       1.96331236       0.64241151      -0.70589232 
Hf      10.84159581       3.37806721       7.18035580       0.53477656       2.00299603       4.93588031 
Hf       1.39127446       1.36336558      10.13815008      -1.56157412      -1.59791019       1.42088108 
Hf       3.52594943       6.48744085       6.18490605       4.11651599      -6.90971305       3.05722223 
Hf       4.59427294      10.40420881       2.25297979      -4.06878818       0.62749652      -0.51654141 
Hf       1.02181106       4.23256011       1.00347759      -1.84358287       0.14872164      -1.73890673 
Hf       1.50390988       8.82919247       0.52025915      -2.24467554      -2.44498709       0.92237461 
Hf       1.81094399       0.19311168       3.33125859      -2.47624148      -1.18202611       0.90542457 
Hf       9.14658594       6.61876756       0.64381238      -0.38135896      -1.24769003      -0.37062865 
Hf       9.16635657       6.18749399       7.80065676       0.17520136      -0.12802732       0.80504872 
Hf       4.18217921       2.57764865       1.46592640      -1.37895095      -0.17125326       1.00949567 
Hf      10.67985696       2.88955716       4.56077075      -0.47153835      -0.19683890      -4.51743573 
Hf       9.30229744      10.56733553       2.97122751       4.90372890       5.31246190       4.67882587 
Hf       5.30111410       7.29572137       9.05616253      -2.66888174      -2.59031349      -2.66374319 
Hf       7.28181665       2.20797648       4.17676872      -1.38947069      -2.90263701       1.45679465 
Hf       3.88579638       3.83551025       4.27139375      -0.46237138      -1.30721912       0.28230218 
Hf       4.47545375       9.61912291       6.03213195      -6.12400423       0.37233318      -2.15407113 
Hf       1.74614073       7.28414740       8.56184205      -2.05033766       0.11614142       0.95623082 
Hf       0.71348851       6.31287445       3.54635331      -3.02699630      -0.18347898      -1.81133765 
Hf       4.40684631      10.44806363       9.34394734      -2.06751963      -3.24331970      -3.16693820 
Hf       0.95070763       8.90500798       5.72438772      -2.62257644       1.56653147       2.15899648 
Hf       5.99222678       5.45158448       0.98626830       0.17425636      -3.33460320       0.00476300 
Hf       8.31146404       1.53779313       8.12172403       2.17538928       1.39034975      -0.23663457 
Hf       9.76971325       9.45936610       8.54642070       4.25597246       0.18353531       2.87387366 
Hf       8.37911405       5.47160655       4.86661544       0.26194405       1.28239501      -2.13867913 
Hf       8.23211163       9.29035436       5.83094390      -2.37206603       0.66896676      -2.90729673 
Hf       5.74841959       4.08505601       6.93043950       1.50539054      -1.18851467       0.49511626 
Hf       3.11036581       1.91877590       7.18713918       2.42828075       2.09880200      -1.85185351 
O       8.73459751       9.29357490       1.92974473      -4.41955674      -5.96735339      -3.73793132 
O       4.04435215       0.22260559       7.31899057       1.41828533      -0.57485472       1.42530969 
O       0.04451717       5.31381779       8.07595067      -0.10979440      -0.32089185      -0.70378925 
O       4.22588877      10.41825553       4.12882333      -1.19039710      -0.35090569      -1.50721535 
O       2.81725476       8.57893746       9.59470749       3.04073162       2.02785117       2.89256450 
O       3.00254237       8.90993558       1.84229716       1.87483072       3.16772565      -0.12498688 
O       6.30084668       9.05854811       9.43648198      -1.26514750       0.85628816      -0.24709332 
O       8.34411390      10.28087966       7.56604708      -2.35579398       1.31173735      -1.52651226 
O       4.02448717       8.38666422       7.49149144       1.43974373      -0.86914014       1.22438229 
O       4.94803002       3.72741975       0.14932037      -0.83975055      -1.32151878      -2.64222509 
O       4.33896973       7.56380328       5.01492247       1.87299924       4.80507941      -3.62531599 
O       7.73901825       5.21784157       6.85786385       2.20629968       0.02474470      -2.20555072 
O       5.04874840       7.48843765       2.25908042       2.94660856      -0.62516027      -1.03629249 
O       4.81247422       2.70965106       8.14752461      -1.31396326       0.80330797       0.56314027 
O       0.37541291       4.41015707       2.90268055      -0.10558745       0.07036097       2.19582644 
O       6.17448731       9.41224471       5.84765771       7.10801531      -0.31566551       0.43457100 
O       9.12227963       9.20570296      10.38275544      -2.85427576       0.50529044      -0.17497324 
O       7.60735640       1.04583228       9.93943555      -0.66274813      -1.35489911       2.40732531 
O       1.40366885       2.79264773       5.78304205       0.00571262      -0.03389496       0.92591702 
O       6.95300630       7.15495875       0.60523559      -0.64188947       3.12469957      -1.96427990 
O      10.38568123       4.72324990       5.52379515      -0.17335253      -0.58361159       0.43223811 
O       7.38548774       4.07011907       0.33756720      -0.59845260      -0.50059770       1.07033481 
O       9.53934124       2.24707773       6.21600888       1.84874196      -0.07831811       0.17532939 
O       4.58672180       5.82678103      10.14546966       1.92275445       1.67487988       2.43626019 
O       0.13429787       2.35020199       0.41720600      -1.81625631       0.85409937       1.03178177 
O       7.32959365       7.61461475       4.27363353       0.47921776      -0.61017892       4.78910542 
O       0.04383463       0.95952159       3.83786869       0.61488688       2.40984980       0.79213121 
O       7.81878276       0.31009409       4.57467341       0.81012720       0.29643850      -0.78043423 
O       0.33199712      10.05668122       2.17279209       1.75282901       0.25473909       0.61351837 
O       9.17786323       3.08290561       9.19521984      -0.48672045      -1.52437969      -1.94916250 
O       9.90006831       4.83122858       0.65791012       1.25305494      -1.93378184      -0.80650875 
O       3.55439538       1.18686978       9.56167169      -3.75328407       1.39862821      -0.09714358 
O       2.76148802       0.77440454       1.77244429       3.11778904      -1.46013318      -1.71952272 
O       2.92046197       5.68253330       4.13472344      -1.52464488      -1.25406649       2.76828528 
O       1.58891194       8.40687421       4.00679586       1.18304254      -2.08332606      -2.02323583 
O       3.72661323       4.15638384       6.61444835      -2.43847003       1.31316624      -0.79834043 
O       3.32121873       6.21729514       8.21492699       0.78362411      -1.67512152       0.96274566 
O       5.78550470       1.88596384       2.94356572      -1.47118843       0.09118223      -2.10061328 
O       2.46242193       2.73893186       2.82227561       1.79859875       2.12809249       1.27180306 
O       9.59364693       6.94880467       4.52794980       2.71748146      -2.36498828      -0.85942606 
O       4.39764934       2.13366663       5.25018332      -1.33593294       0.40805601       0.92623889 
O       8.46712897       6.53240248       9.52008552       0.34704533       0.36715839      -0.83060522 
O       1.83702195       7.02037274       6.31431530      -6.58594571       2.72622000       0.24385348 
O       0.89318661       9.07560617       7.85576746      -1.23475671      -0.88451763      -1.39780105 
O       5.78750206       5.95076731       7.73401324      -0.72627735       1.44961000       0.74155034 
O       7.24128746       2.60956136       6.69947495      -1.46855713      -0.68032000      -0.47703306 
O       5.08114878       0.13165815       0.15991770       2.11962194      -0.51949387       2.89113781 
O       5.55483153       4.68591953       5.06072633       1.76050002       0.25277371      -1.75200067 
O      10.17653449       0.51031994       8.79329775      -0.15528534       0.96844831      -0.69043186 
O       8.61998591       3.60801604       3.97583612       0.16394725       0.42030931       0.24190006 
O       4.64541998       4.39106322       2.26971433       0.02191399       0.24953171       2.84239769 
O       2.37953252       2.94680993       0.00739785       3.16396347       0.71443029       2.26207305 
O       0.95496832      10.34926497      10.54856412       0.28590487       2.08343728      -1.31902139 
O       9.92796200       9.49684227       4.79655781       0.61453545       0.98987417      -0.00336691 
O       1.85228067       5.11445393      10.07451193      -1.18084362       1.26128132       1.20876791 
O       7.91624011       5.90369315       2.19728426      -0.86827645       0.77750721       1.99693702 
O       2.05880148      10.49930957       5.76854153      -0.34523600       0.01035332      -1.60970265 
O       6.38426100       9.95925829       2.10167032       2.71265608      -0.40150781      -1.10795779 
O      10.73225508       6.95974202       1.68943654       1.55741926       1.14058509       3.04226956 
O       9.32998008       8.01181769       6.77814200       0.58414452      -1.46138658       3.38500357 
O       2.25820822       6.35757020       1.98667930      -2.49364832      -1.90560958      -2.11460523 
O       8.70737442       1.58203628       2.15114146      -1.03082504      -1.00415203       0.74983750 
O       0.53098882       7.67454024      10.09801346      -1.29860950      -1.03751786      -0.40710582 
O       1.37701420       2.41617969       8.54046132       0.85315367       1.62232502      -4.47143694 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.008983747573855498 -0.0011144731029144725 0.028199323185380487 -0.0011144731029144725 0.01374041260757361 0.004617044890036134 0.028199323185380487 0.004617044890036134 -0.0009616355587754686" pbc="T T T" energy=-924.31290864 free_energy=-924.31332738 config_type=amorph 
Hf       9.17421581       2.79008172       0.37828550      -0.81418446      -0.01564970      -0.47719718 
Hf       3.75699074       6.64659567       3.06722121      -0.15780605       2.02899445      -2.05637105 
Hf       7.21374302       7.66354221       3.24017859       0.15540733       1.54248125      -0.47546440 
Hf       7.22434838      10.47067656      10.83360259      -0.48127533      -3.16223084       1.04407202 
Hf       3.68820776       4.44225651       9.80642372       2.35496744      -0.95752943      -1.96777505 
Hf      10.47465737       3.90050957       7.41919121      -1.35201174      -1.41051082       1.30649774 
Hf       1.11176666       1.65390149       9.88005873      -0.14314306      -0.03925288       1.01502047 
Hf       3.17446286       6.61828988       6.08933412       3.95062368      -0.21984737      -0.28509102 
Hf       4.60617597       9.93273087       2.07306815       3.33951517      -0.23598136       0.85142017 
Hf       1.19598012       4.35906854       1.04551733      -0.98593131      -0.31988444       0.59448731 
Hf       1.27388429       8.42031558       1.32829149       1.15672445      -0.90713061      -3.83350591 
Hf       1.79253800      10.65122590       3.73530516       4.63647913      -1.21878004      -0.97911087 
Hf       9.41549739       6.90820861       0.06742572      -2.03966633      -0.49432507       0.27019941 
Hf       8.14272968       6.77899401       7.41001053       2.77972607      -1.92772637       0.59881492 
Hf       3.88894549       2.01543270       1.23730225       1.29775099      -0.28531715      -1.45279332 
Hf       0.11825250       2.93433998       4.37018926      -1.83077087       3.60126561       3.66420106 
Hf       9.65553993      10.68678114       3.24338491      -2.64017422       2.65110565      -5.56059565 
Hf       5.30005507       7.36421155       8.79829776       0.72308433      -1.40949272       0.93885488 
Hf       7.15552632       2.45110711       3.07149970       2.29509554      -1.95952366       2.72989603 
Hf       4.06627581       3.64166317       4.42386735       0.56888228       0.34186917      -0.84777259 
Hf       4.39702011       9.84086607       5.71926667       0.40795743      -2.49418642      -5.29689723 
Hf       1.59055364       6.80187140       8.79009881      -1.84582687       2.25045003      -0.18689339 
Hf       0.52853800       6.40520651       3.59675322      -0.66811406      -1.10220426      -0.26073826 
Hf       3.58971884       9.97785469       8.97097711       0.48320126       0.62058992       1.78907912 
Hf       0.45090187       8.97808477       6.06644131      -0.68871128       1.89109156       3.35843928 
Hf       6.29446379       5.29959573       1.25497706       3.22026600      -2.44593475      -4.29311790 
Hf       8.15503460       1.54633643       8.00396419       1.05622746       0.11177724       1.89412461 
Hf      10.43782532       9.50814428       9.20835202      -0.88630370       4.39510695      -0.21828219 
Hf       8.55403611       5.08614227       4.75336501      -1.68436709      -0.92730467      -0.25971140 
Hf       8.16820250       9.46535827       5.68288352      -1.65141733       2.57674889      -0.13019377 
Hf       6.06103213       3.97903582       6.86044246       0.84518222      -0.43563376      -1.81389069 
Hf       3.21224658       2.14216021       7.07179011      -0.16459979      -1.40878537       0.41233709 
O       8.83754144       8.99556709       3.56848477      -2.55897455      -3.04394782       0.95964044 
O       3.96785235       0.09429847       7.12384930      -0.51992977       3.09429733       5.68318749 
O      10.29665710       6.33244630       7.88835088       0.32992120      -1.25041177       2.25699735 
O       4.01037130      10.73467811       3.87274378      -0.12623822      -1.70975112       1.94754707 
O       2.94255934       8.24841561       9.91700163       0.47316500      -0.09966088      -1.71748166 
O       3.29725505       8.45979941       2.03724726      -5.26386735      -0.55421975      -1.02403176 
O       5.89426060       9.22612454       9.42313343      -1.71778281      -1.37348532      -0.83605983 
O       7.45636785       0.11547739       7.16755462      -1.14564534      -4.05110910      -4.07570228 
O       4.13002567       8.24797962       7.06102754       1.00157411      -0.20476557       4.10427381 
O       5.10193209       3.48000769      10.85007897      -1.80485436      -0.68495774       1.24696736 
O       3.66166743       8.11319657       4.83522828      -0.71269511      -2.72893639      -1.96352974 
O       8.47719944       4.85564205       6.72395431       0.01554464       1.31113714      -0.33967466 
O       5.24901540       7.84194514       2.64586938       3.94037943      -0.90885512       0.95109072 
O       4.46591176       3.58363960       7.98939213      -1.95087616      -0.72096932       1.50520028 
O       0.04856225       4.63388325       2.81127258       1.07429750      -0.50997594       1.11761286 
O       6.14810027       9.20677839       5.21079449       2.10657139       1.29856983      -0.56881231 
O       9.00535682       9.22405868      10.52024552      -1.60815422      -0.88980584       0.82065803 
O       6.92463482       1.10301100       9.77052856       1.40363920       2.11714610      -1.13940113 
O       2.42939851       2.91399201       5.39982982      -1.78209192       1.03816009      -1.29616071 
O       7.79622824       6.55298940       1.54850130       1.13374565       2.09852608      -2.06254049 
O       0.00306660       4.61773170       5.77479110       2.24489967       0.47946397      -3.54517302 
O       7.36989204       3.43137455       1.24276594       0.49084627       1.52672881       0.89750797 
O      10.02050815       2.20309144       6.17096290       0.93112049       1.71013547       1.89027619 
O       5.07729651       5.87126791      10.33585346       0.10264238       2.24171479      -0.41134959 
O       0.05281631       2.36368516       1.09928336       2.58686866       1.53578629      -1.69907274 
O       7.66468212       7.41263831       5.49631693       0.37111254      -0.09907917       0.74887870 
O       0.56260461       1.26827676       3.72124508      -0.38149144      -1.68313450      -1.79747240 
O       8.15222313       0.83263872       3.95115527      -2.70396673       1.13113822       0.63366088 
O       0.43885185       9.84549131       2.21525903       0.34051295       0.61154824       0.62460865 
O      10.05319362       2.97593472       9.37485583       0.51259812      -0.57787116      -0.19266528 
O       9.94314364       4.99203889       0.19006364      -0.06789492      -0.20637706       0.49856407 
O       3.07935656       0.85636758       9.73381191      -0.73969773       0.83141234      -2.17449712 
O       3.04329563       0.29597452       1.91736565      -3.03323326       1.91396428      -0.79474425 
O       2.53484788       5.62043751       4.28053883      -1.40510511       0.23195208       0.81035970 
O       1.17187899       8.66273208       4.39968339       0.74715920      -1.80892224      -4.34159625 
O       4.78861747       5.23372725       5.43954521      -2.74463170      -0.50042946      -0.66511304 
O       3.28526778       5.97707315       8.15200655       0.99172145       0.21445868      -0.22203831 
O       5.35025272       1.67891086       2.74894914      -0.71803623       1.90412040      -1.03613574 
O       2.67748420       3.40472099       2.12295889       0.79795275      -0.07656795       3.19278305 
O       9.77917077       6.59901972       4.63886578       1.38000877       0.97326549      -1.07758914 
O       4.64763555       2.38213544       5.78489479       2.36965180       0.02049894       0.18594671 
O       7.63098940       7.03085293       9.32669896      -0.21002281      -0.12758277      -0.13857149 
O       1.45633838       7.18554101       6.60002372      -1.76849616       0.38595465       0.57142010 
O       1.14161178       9.45750695       7.88721074       1.25595760      -0.09632497       0.23123076 
O       6.13246515       5.85959167       7.35866905       0.46080877       3.64068166       2.34432223 
O       7.48467278       3.33359607       8.05234373      -1.83278276       0.45568033       0.23863574 
O       4.85613319       0.03047099       0.31522209       1.51984192      -0.51618714       0.63307383 
O       6.54208744       3.60840188       4.79443756       0.21035649      -1.74365621      -0.25234929 
O       9.45981045       0.56777354       8.97214015       3.94497202      -2.77373855       1.58714855 
O       9.01241519       3.31324810       4.10011021       0.47453814      -0.27675041      -1.89431021 
O       4.87614385       5.08474853       2.30271952      -5.30495407      -0.29393944       4.05788172 
O       2.49596386       3.04604316      10.79561292      -1.65572642      -0.70308544      -1.84936125 
O       1.04814935      10.56213078      10.46128060      -1.92001817      -0.06967331      -1.16605172 
O       9.96422518      10.45417999       5.03373253       2.19011601      -2.15494687       6.68785589 
O       1.76047938       5.34673688      10.07748798      -0.05700849      -0.56117567       0.78294094 
O       7.04453249       5.49671004       3.49320838       0.73112468       2.47213845      -0.47309935 
O       2.09525258      10.80995353       5.62109323      -1.28493277      -1.09382544       0.87525858 
O       7.01273714       9.49086790       1.85617192      -1.75488624       0.57217659      -0.62770977 
O      10.41129063       7.17778001       1.76686672       1.87606821       1.33654633       1.28392738 
O       9.44463065       8.69738320       7.29128101      -0.79185619       0.46534509      -1.24368231 
O       1.91547534       6.22403412       1.71597991       0.88603029       1.52332160       1.54447985 
O       8.83509789       1.15900432       1.64697687      -1.42596035       0.48115218      -1.97647766 
O       0.36947209       7.93357067      10.19970566       0.12067088      -1.86008334       1.15900668 
O       1.64770055       2.94749344       8.10362973      -1.35190874      -0.45036207       0.42706752 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0018188355217322618 0.01389436499134815 0.011971882463509232 0.01389436499134815 0.0005650149104959402 -0.002546030129913627 0.011971882463509232 -0.002546030129913627 0.019616803517146918" pbc="T T T" energy=-925.62685053 free_energy=-925.62695131 config_type=amorph 
Hf       8.85734682       3.18500710       0.46956776      -1.79669836       1.06862657       0.44325829 
Hf       3.28301498       6.78903343       2.97276988      -0.62758733       2.93475699      -0.45989720 
Hf       7.42142491       7.43206708       3.61965678      -0.84620690      -0.39270752      -0.12244722 
Hf       6.45533555      10.77935215      10.24149798      -1.04802697      -1.52027751       1.22774371 
Hf       3.76985249       4.67894421       9.18556397       1.17486176      -0.61627362       1.28010053 
Hf      10.48498666       3.87693444       7.90230022       0.69591266      -3.81917964      -5.58532478 
Hf       0.68723207       1.57893396      10.21144084       1.13316403      -2.74391943      -2.82700920 
Hf       3.81446085       6.70646688       6.43605747      -0.98631695       2.07782836       0.20515582 
Hf       4.94244062       9.56734012       2.56757134      -3.10912560      -0.64468032       0.44280024 
Hf       1.47104213       4.08597110       1.35528019       0.83148955      -0.03347397       0.27755801 
Hf       1.31302983       8.95593724       1.16844795       0.94587807      -3.36384590      -2.37336942 
Hf       2.48056205       0.70223752       3.40802295      -2.24700716       1.58528092      -1.92358990 
Hf       9.20738124       6.79541436       0.97107395       0.33654275       4.12383889       1.79167170 
Hf       9.38021247       6.99300385       7.26610022       0.06817331      -1.86535514      -2.63281377 
Hf       4.20447828       1.84176325       0.49948029       1.05528574      -1.55249112       2.04120396 
Hf      10.84232633       3.01843413       4.46652124      -2.19226835      -2.30415811       0.34476598 
Hf       9.64603084      10.76894318       2.43334165       4.53351718      -1.84877354       2.85745722 
Hf       6.50182314       7.18227737       9.11136974      -5.01183813       0.01271976      -0.82969711 
Hf       7.22399837       1.99259764       3.21890598       0.38022471       2.33517072      -0.20441528 
Hf       3.50423595       3.88196886       4.45325780      -1.48991242      -0.36918455      -1.11509895 
Hf       4.86627618       9.40563818       5.79288345       2.76801409       1.67099879      -2.06385793 
Hf       1.14231538       7.56168000       8.50075873       1.67829145      -0.53044586       1.31197095 
Hf       0.25149535       6.17877861       4.14686422       0.21031741       1.97742466      -0.68679147 
Hf       3.66859020       9.60161398       8.68851116      -1.36742885       2.21308959      -0.78495743 
Hf       1.22272151       9.23046686       5.06884201       1.43033355      -2.41740248       0.35820325 
Hf       5.73124743       4.99223257       1.32842123       0.00328454       0.75631432       1.21162170 
Hf       8.42843201       1.64212711       8.13857408       1.77969291      -1.16888673      -2.79161788 
Hf       9.65106146       9.66252860       9.51638687      -1.28450657      -2.15835775       2.66680622 
Hf       7.98819457       4.63110402       5.23556545       1.66251000      -0.49230257      -5.69653661 
Hf       8.45150406       9.86246545       5.41301932      -0.22079296       1.97353649       0.45014336 
Hf       5.59532881       3.54300586       6.75463526      -0.57811703      -1.96220806       0.87307404 
Hf       2.60862218       1.70638310       7.00919710      -0.27178499      -2.93883978       0.03365433 
O       8.47903243       9.32936279       2.71782329      -1.84727674      -1.61137890       1.28834754 
O       4.45657801      10.83234553       6.95526573      -0.83626200      -0.17851243       1.41714331 
O      10.78703086       5.64269533       8.11126479       1.61237438       7.25338975       1.04953250 
O       3.86494391      10.37637244       4.21440740       3.42304409       0.80159636      -1.34063769 
O       2.59657509       8.42678977       9.85010907      -1.75979634      -0.75582735      -0.26940259 
O       3.38368809       8.46658116       1.54431900       0.56244484      -1.19590289       1.67082488 
O       5.58261155       9.09657176       9.25164622       1.72238165       0.42102706       1.65449313 
O       8.13587888      10.50398464       7.52712441      -0.37602086      -0.15721435      -0.96103515 
O       5.47349610       7.85795936       7.05661107      -1.21815048       0.34637571      -0.34132725 
O       4.90588149       3.66725845       0.16750846      -1.48684719       0.65542530      -3.72166202 
O       3.51440912       8.35593789       4.93075136      -0.40292265      -3.73750562       2.24387436 
O       8.31212965       4.83518898       7.04409477      -0.79625153       0.68163977       2.43951597 
O       5.33586424       7.52461507       3.25248678      -0.55723251       0.83081517      -1.83158647 
O       3.76605743       2.91410209       8.05804071       1.99002613       3.01787765       0.71828976 
O       0.68109812       4.44456913       3.21293943      -1.46878821      -2.16690762       2.11046418 
O       6.60011708       9.51339442       4.48454931      -0.90167632      -0.28192849       1.06554620 
O       8.20013063       8.75290861       0.08006057       0.02914961       1.21367299      -2.71556028 
O       7.96821875       1.25679659      10.10611078      -1.43784935       0.24072887       1.53259924 
O       1.58001016       3.04029635       5.82164325       1.08691012       0.57513469      -1.26173091 
O       7.35830993       6.43462790       1.79439303      -0.35432053       1.21120711      -1.58746724 
O      10.20188985       4.88310365       5.58920386       0.89738224       0.44280040      -1.35443092 
O       7.30256326       3.99743442       1.91599862       2.24189911      -2.24053824      -2.09736755 
O       9.65562982       2.26998704       6.49995574      -0.06910336       1.26464660       1.78277115 
O       5.55531497       6.01127677      10.39673377       0.05763724       0.77901627       1.91311628 
O      10.71171104       2.78689571       0.57700742       0.87124520       0.62211674       1.66727251 
O       8.41534868       7.78847039       5.68076718       0.13765774       0.13462544       0.10406088 
O       0.45919450       1.51998424       3.17371084      -1.49762720       1.47694988       1.97549861 
O       8.49092775       0.74361416       4.36920274      -1.59875639      -0.70948114      -1.01264292 
O       1.06169440      10.30926514       2.35084773       0.47106118       1.57589557       5.25134909 
O       9.29895282       3.56980002       9.27340888      -2.96746703      -2.45208272       2.74489442 
O       9.93413851       5.11641350       0.48643550      -0.72190882      -1.55506352       0.41486566 
O       2.24468683       0.08009618       8.39151875      -0.54123159       1.79381593       0.33621633 
O       3.49161749       0.02808400       1.88592574       1.59187225       1.20445387      -1.68908960 
O       2.54130535       5.93654754       4.73048621       0.39950838      -2.39274546      -0.09991029 
O       1.66121749       7.89534086       3.56663582      -2.48344412       1.17867165       0.18245561 
O       4.42457866       5.03203992       5.88682464       1.54248392      -3.97194615      -1.42644437 
O       2.81718984       5.84366777       7.92124544      -1.86045010       1.13826352       0.92073758 
O       5.49549185       2.27576350       1.90035645       1.79628573      -1.57959969       3.22254028 
O       2.68959621       2.68125819       2.81620007       1.02239225       1.12019321       1.23536080 
O       9.16709556       6.26793790       3.35239918       1.44603624       0.47967921       0.82792697 
O       4.34159165       2.31815846       5.55827083      -1.81607854       1.48577925       0.40832765 
O       8.31331690       6.81088262       8.89767875       1.50341954       0.35481456      -0.01127227 
O       0.49608312       7.35771543       5.87865772      -1.06740967       0.57466886       0.62307657 
O       2.46206519       8.40653733       7.27730181       0.69824407       0.71902839      -0.11265487 
O       5.48651027       5.55923628       8.11766538      -0.41774423      -1.87895735      -1.01529358 
O       6.63133510       2.24773866       7.98200611      -1.88948116       1.82922009      -1.64849890 
O       4.62480484       0.78747267       9.70391989       2.22861761      -1.69284484       1.30995877 
O       6.40969724       3.28585185       4.65116962      -0.00886869       0.13191211       2.51550824 
O       9.99389573       0.56910584       8.98295124       2.41029748       2.55348564      -0.12001513 
O       8.77712459       3.19837747       3.87777071       1.52121956       0.66653522       0.41101726 
O       3.90808797       4.94259065       2.43603164       2.07842745      -0.63270963       1.18021366 
O       2.31756907       1.78443698       0.35404509      -1.58239901       1.40217979      -0.20446426 
O       0.27909570      10.75587288       0.34640536      -2.05923502      -2.23163314      -1.58565826 
O      10.29449636       9.85562247       4.61517524       0.17926398      -0.33340838       0.44916267 
O       2.20993518       4.52296716      10.42503750       0.69040169       0.40351911      -0.15064088 
O       6.60820095       5.92062614       4.66278723       1.51512833       0.28638451       0.36543963 
O       2.03711003       0.26380234       5.45051665      -1.53158982      -0.09522904       0.47646709 
O       6.06231720      10.57957825       1.37173551       1.35739957       0.43427842      -2.84273434 
O      10.56288974       8.10263995       1.91271718      -0.71102011      -1.43807086      -1.05244320 
O      10.25680111       8.79311026       7.82424970       0.85894221      -1.82899285      -0.62007748 
O       1.67887210       5.96222544       1.91351903       0.55382191       1.51825527      -0.78327828 
O       8.72699935       1.42518963       1.83286385      -2.21544205       3.12342710      -2.06002577 
O      10.72781928       8.06282522      10.19785693       1.87013208      -0.30249966      -0.68520269 
O       1.09311434       2.69979413       8.53968139       0.47798424      -0.45973192      -0.61159161 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.03999651744262926 0.020809520272086098 0.004063619488311535 0.020809520272086098 -0.020027772046740878 0.0024787435220575155 0.004063619488311535 0.0024787435220575155 0.0038983584012612254" pbc="T T T" energy=-926.23216119 free_energy=-926.23218622 config_type=amorph 
Hf       8.85288800       3.23630928       0.46219368       4.90607342      -2.09410195      -2.89117986 
Hf       3.11740051       6.77512404       2.86291521       0.56920101       0.00046672       0.65902791 
Hf       7.20360535       7.54193965       3.58979765       1.59729763      -1.30146434      -1.94218798 
Hf       6.42348776      10.67269371      10.31589436       5.67785787      -0.82640134       0.90560475 
Hf       3.76814511       4.74978382       9.26515120       1.04491603      -0.75740773       0.24099853 
Hf      10.53518116       3.87513152       8.02659884      -1.02174012      -0.43692856      -1.91337338 
Hf       0.89251134       1.41062322      10.11131988      -1.00616874       0.24168385      -2.27751863 
Hf       3.74753800       6.74883427       6.38838219       0.27294279      -2.66535226       2.38573714 
Hf       4.93149502       9.55983295       2.54512451      -1.09215022       2.13423898      -1.77717934 
Hf       1.48945050       4.10858675       1.46517676      -1.35541176      -1.98123945       0.58512411 
Hf       1.37559809       8.83410139       1.07096259       0.42319180      -1.52294338       1.08136905 
Hf       2.34590374       0.77618998       3.62146089       1.69985167       5.23332177      -1.65797065 
Hf       9.24836868       6.72025794       1.02828970      -0.55276122       2.20458894       1.10083967 
Hf       9.48980409       6.82554479       7.22756968      -2.31181647      -1.35890712      -0.90514735 
Hf       4.24483182       1.78802371       0.46146392       1.02768254      -2.00708480       3.57297130 
Hf       0.08486972       3.10673305       4.53504465      -1.51363109       0.55283543       2.23919474 
Hf       9.78623816      10.78672286       2.49849578      -0.90274196      -0.60179434      -0.05614816 
Hf       6.49592228       7.19067205       9.10607987      -3.28600686      -0.22849609       0.06203953 
Hf       7.20356800       2.02922690       3.27045872       2.12727023       1.68258584      -0.08494020 
Hf       3.42266200       4.04610686       4.44999199      -1.82406309      -2.82455636      -0.99741726 
Hf       4.90084392       9.68594067       5.62596579      -4.24601301      -1.16221970       2.86544257 
Hf       1.28802285       7.48016652       8.57925121      -0.09452327       5.37935212       1.12260143 
Hf       0.09579340       6.26241950       4.18652761       1.78626610       0.77916504      -1.72325469 
Hf       3.82796508       9.73328701       8.67898210      -2.53483049       0.02340203       2.54985648 
Hf       1.14489355       9.18388254       4.94832108       2.75023481      -0.44773124       2.60650857 
Hf       5.72180369       4.80883050       1.15146827      -2.29294255       1.49895497       1.71719523 
Hf       8.33264665       1.60554790       8.03286416       5.17641038      -1.67590348       0.44712374 
Hf       9.60570412       9.58772870       9.55998559       1.70765562       3.00113683       1.28336721 
Hf       7.98967570       4.50550817       5.13646314       2.78655734      -2.33491058       2.38119774 
Hf       8.48154774       9.83696777       5.42527876      -2.10514617       0.70082503      -0.52676598 
Hf       5.46037749       3.47224561       6.78806982       0.55138653      -0.23605784       0.26450400 
Hf       2.65132720       1.55601325       7.14365022      -0.91087594       1.76363455      -0.47745366 
O       8.36985184       9.01185413       2.90856882       0.62310730       1.71730616       0.87457372 
O       4.25155245       0.13380369       7.25413835       0.95694499      -0.06038731      -3.21942734 
O       0.10055065       5.86498413       8.34291308      -0.98802741       0.07105699      -0.68487701 
O       3.66123610      10.20166784       4.06962196       0.78918408      -0.21210145       1.64558138 
O       2.55245559       8.76880764       9.92206906       1.28488290      -0.75702538       0.32336272 
O       3.47879243       8.33058275       1.78528042      -1.14127495       1.88566662      -1.38942504 
O       5.74542909       9.10142814       9.39398160      -2.02454367      -1.79643831      -1.64019870 
O       7.98104761      10.43319215       7.23711384       0.24087226       1.49814126       0.43698627 
O       5.19794207       8.03055913       6.86412189       1.10103059       0.36777136       1.33290612 
O       4.60200550       3.57361700      10.61692436       3.22486922       1.16589679       1.55782545 
O       3.45679114       7.96576109       5.09880427      -0.59578245       2.85866268      -3.32636050 
O       8.49541425       4.70672488       7.10362639      -0.48883228       3.19819707      -1.32117692 
O       5.26632804       7.68065162       3.19510460       0.32476181      -0.18659556       0.37250584 
O       4.00655127       3.19330603       8.04404968      -3.13282822      -1.15923642       1.00113417 
O       0.89529068       4.52447305       3.35093021      -2.21755063      -0.01034200       0.22714439 
O       6.21723576       9.91465926       4.36763769       1.51321899      -0.80175309      -0.52815566 
O       8.10204231       8.76772135      10.33790346      -1.75378112      -0.08325385       0.50127629 
O       7.79456493       1.27615316      10.04743138       0.53723514       0.00633174      -0.56946684 
O       1.74326054       3.13194315       5.72499232      -1.04091069       0.41484036      -0.69159943 
O       7.24664160       6.47000358       1.71454220       0.31675540       0.25834844      -0.08892625 
O      10.22588317       4.98310269       5.42156490      -0.74449663       0.31109238       0.71776440 
O       7.33993401       3.91722674       1.26630264       0.85317696      -0.69225484       0.86614725 
O       9.66542464       2.64074149       6.65539996       0.41993699      -1.25408672      -0.32773845 
O       5.66882160       6.10383052      10.56933647      -1.09465429       0.92190980      -1.77457279 
O       0.34922139       3.09634699       0.24828718      -3.12495296      -2.79433602      -0.88370023 
O       8.21529958       7.89040241       5.72738365       0.73588164      -0.14384989       0.16729373 
O       0.37064154       1.88423909       3.12714616       0.26890590      -2.47269110      -0.42925464 
O       8.06141530       0.51391513       4.03986456       2.01981767      -0.78496342       0.39145378 
O       1.14624028      10.37396482       2.93340590      -2.06916173      -1.49792468      -1.62797450 
O       9.07016333       3.66667916       9.21068809      -0.59594734      -2.34789673       2.52708588 
O      10.16293798       5.06457513       0.55970108      -2.16853581       0.78015262       1.14391906 
O       2.38446760       0.55867765       9.04131342       0.99117311      -1.66471000      -1.56557389 
O       3.72062898       0.19656780       1.71146225      -1.29353754      -0.34783303       1.06291895 
O       2.27747500       5.73222884       4.58622013       1.51240316       1.58817580       1.13667452 
O       1.28511596       8.08875249       3.37191165       1.30129257      -2.50337704       1.22192041 
O       4.64625332       5.06321016       5.59682253       0.01042566       0.74699115       0.99678325 
O       2.60131085       6.11575319       8.28003498       2.54464305      -0.84069605      -1.34013675 
O       5.69573941       2.06830394       2.10920138      -1.09041769       0.74283911      -0.77518477 
O       2.94277038       2.80926600       2.79272991      -0.62024798      -0.35584308       0.87008895 
O       9.41303668       6.54502756       2.96288321       0.06634286      -1.52234247       2.64185107 
O       3.94874374       2.38134564       5.65639921       1.65643665      -0.02799339      -0.47077575 
O       8.22627384       6.74613299       8.96898757       3.04780045      -1.08636713      -1.50698447 
O       0.26943636       7.46337053       5.95826895       0.51034626       0.33665940      -0.97894685 
O       2.54729535       8.77065301       7.29913504      -0.82554596      -1.28347410       0.52581263 
O       5.54416461       5.10699615       8.02742425      -0.58244865       2.46262310       1.20549496 
O       6.71202469       2.28502788       7.80137263      -4.15480273       1.62218456      -1.07843780 
O       4.88555274       0.69455208       9.78916948      -2.33124617       0.55774172      -0.66049009 
O       6.61578054       2.90386997       5.11840521       0.61729709       0.90921936      -1.20016887 
O      10.32154271       0.73175749       8.75041012      -1.38570680      -1.46878770       1.32773221 
O       8.90724418       3.39156395       3.72705378      -0.59149835      -0.31623909      -0.27356968 
O       4.54106113       4.95677731       2.84077757      -1.15055692       1.26657608      -0.95724293 
O       2.40838233       1.98152556       0.32321183      -0.64195625       0.09108397       0.75424803 
O      10.12592929      10.46847641       0.55454333       2.41324823       0.95087922       0.14119403 
O      10.32797977      10.04000096       5.00488783      -0.98964476       0.54469256      -0.80542825 
O       2.50496422       4.59173820       0.07703697       3.23210278       1.60975623      -5.35974269 
O       6.94065295       5.94063366       4.66936467      -0.81186030       0.40939791      -0.42514092 
O       1.68462011       0.41775718       5.64587798       1.17000240      -0.73325608      -1.01178582 
O       6.20193751      10.47122622       1.29669991       0.05304186      -0.97593041       1.16423541 
O      10.53702261       8.20525777       1.75604249      -0.48857775      -0.03609448      -2.08994562 
O      10.15757049       8.52302969       8.06678779       0.81809558      -1.67933783      -2.06855087 
O       1.84027310       6.31953428       1.39785385       0.29683223       1.08893743       2.26747335 
O       8.87347459       1.51207147       1.65014997      -0.95663165       1.31690483       0.86648890 
O       0.35140363       8.43770932      10.23453591      -1.57243517      -1.26252336      -0.98136113 
O       1.20694298       2.60736143       8.32500681       0.16035011       0.71768878       0.90756125 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.02564556121751643 -0.011907878259060914 -0.012734730182126997 -0.011907878259060914 -0.0034866994858598305 -0.0037132562120581907 -0.012734730182126997 -0.0037132562120581907 0.004768282910148429" pbc="T T T" energy=-920.48033349 free_energy=-920.48050418 config_type=amorph 
Hf       9.23691663       2.24699750      10.50603910       0.10209199       2.17645258      -1.18460183 
Hf       3.48894595       7.12873075       2.76294440       3.04468546       0.43269933       0.58557343 
Hf       7.15290906       7.95889900       2.17388544      -1.04916380       2.68822660       0.21951683 
Hf       7.20927758      10.14269597       9.57275180      -0.45633975      -2.68096942       2.04348763 
Hf       4.12937212       4.50438747      10.37623207      -0.29156975      -1.79122180      -0.75138202 
Hf      10.73209745       2.64898418       7.05416686       2.52422245      -0.77745972       1.68876555 
Hf       2.08332839       2.08057782      10.53621208      -4.07437430      -2.06944789      -5.61452279 
Hf       3.66738287       6.56088675       6.29243040       2.81200685       1.42175744       1.57168539 
Hf       4.00703188      10.33639844       1.59927054       5.21552145       1.22677796       0.98375131 
Hf       0.75602048       5.16052931       1.21464492       1.26200176      -4.90797794      -2.31734487 
Hf       0.79751068       8.61374567       1.78064160      -0.13645099       0.61014623       0.72242804 
Hf       1.87393304       0.71787470       3.96104791      -2.99566235       2.71777208       2.84329312 
Hf       9.16018462       7.50690140      10.44629035      -1.33670717       1.17293104       3.53127158 
Hf       9.21157006       5.99804123       7.72780905      -4.39102136      -2.27804645      -2.39190850 
Hf       4.29538642       2.54995483       2.18319976      -0.44988015      -1.43339065      -0.86424705 
Hf       9.48317910       3.29259952       3.86322546       3.72875946       0.02001733       1.44917772 
Hf       9.71962113       0.43690509       2.20483302       0.92530835      -3.13507584       0.42930711 
Hf       5.70657960       6.53140793       9.16172774       3.83304753       3.66669766      -1.90420780 
Hf       6.54815864       1.77867584       4.17158861      -1.57482118      -3.63573276      -0.82832739 
Hf       3.33192799       3.42456783       5.01187846       1.73082106       0.42616935       0.85284324 
Hf       4.29456080      10.15259241       5.39120096       3.19616666       0.18942845       0.29285965 
Hf       1.29206696       6.98871494       9.33110534       2.74257906       3.35071124      -1.31958932 
Hf       0.65999205       5.70782374       4.73904406      -0.71056843       1.09738152       1.02283569 
Hf       4.15354251       9.55247483       9.25820150      -1.12496625       0.76226964      -3.34077097 
Hf       0.71654479       8.76460373       5.83634820      -0.45609828      -1.48729822       1.92933646 
Hf       6.96498434       4.69455089       1.63545946      -2.90270421      -0.80034070      -7.07175414 
Hf       7.79729281       1.40554298       7.06363698       2.07830670      -3.12105886      -3.07091910 
Hf       0.03318334      10.29765925       9.20925201       1.43809637       0.58318155      -0.77686510 
Hf       6.99940411       5.88782538       4.85447086      -0.96084719      -3.28374515       0.40931885 
Hf       8.43856588       9.11307517       5.38261010       1.29692238       0.63028658      -0.83150757 
Hf       6.05906279       4.01706012       7.71324546      -1.51532900      -2.50125195      -2.16072982 
Hf       3.48261810       1.56132104       7.78506757      -3.99980213       2.40123554      -2.65996872 
O       9.16025790       8.95193179       1.35927468       2.08386850      -1.46559775       0.43872965 
O       4.60826690      10.76395696       7.49423050      -0.84502329      -0.51085916       0.71133378 
O       9.75972290       4.15612209       8.01231480       1.09935108      -2.07943874      -1.02341232 
O       3.53632138      10.69848137       3.49141740      -0.57550276      -0.84547975      -1.03289089 
O       3.40463370       7.67277022       8.40153983       0.16382158       0.14157447       1.66986506 
O       3.02089375       8.79277176       1.18565213      -2.29418751      -2.87758659      -0.16565556 
O       5.84296949       8.82133963       8.55429265       0.03817938      -1.30648201       2.57260081 
O       7.53308618      10.18615388       7.65194001       1.15630250       2.90662347      -1.24702265 
O       4.72310963       8.24802348       5.78350616      -0.84024925      -1.90418905      -0.13749581 
O       5.34943121       3.38097150       0.79950326       0.34061024       2.31218093       0.57412834 
O       5.29881863       8.95231925       2.72032406       0.13323943      -0.24942066      -2.06263113 
O       8.91367104       5.47076898       5.29808757       0.18525181      -1.49314669       0.33414434 
O       5.63715501       6.46004656       2.95556276       0.90853934      -1.66150165      -1.17728104 
O       3.81140989       2.76841622       9.29935721       1.13834817       0.10205886       1.36725937 
O       0.29336161       4.54083586       2.99561579      -1.65300480       1.50077127       1.59816473 
O       6.38120548      10.83427840       5.15338941       1.86122541       0.55359338       0.31161437 
O       9.34229445       9.19685100       9.32182706      -2.68571458       0.44571215       0.94393130 
O       8.00629625       2.42017158       8.58453087      -1.77068933       0.00689342       2.19787415 
O       1.62424289       1.74197710       6.03633097       1.67377535      -0.73171169      -2.25154712 
O       7.03245685       8.63057151       0.11030227       0.57301760      -0.25739214      -0.36050241 
O       0.26827918       3.92693038       5.59612241       0.52396743       2.23855292      -2.28716402 
O       8.25160304       3.37156045       0.85488569      -1.46026484       0.17701703       0.44744306 
O       9.30171207       1.90327865       5.63632666      -1.37296256       1.31324411       0.58951074 
O       5.01658002       6.27556254       0.01214197      -0.31754036       0.04770076       1.36588655 
O      10.49277914       3.80460696      10.83736856       2.64064307      -0.50382184       1.02977246 
O       7.41173213       7.61308552       4.24007163       1.42994123       2.24845323       0.79913939 
O       0.19801376       2.05284980       3.02851491      -1.27507331      -1.92505562       0.23397959 
O       8.64949752       1.71166570       3.11018483      -4.46381137       1.60920568       1.82945658 
O       0.79628130      10.25057445       2.86443586      -1.21602390       0.68114051      -0.80924758 
O       6.37680757       4.25090204       9.57855333      -0.78225674       2.00464531       0.48036850 
O      10.37310098       6.22109031       9.29158265       1.60495404       1.53416963       1.48181277 
O       2.76265171       0.42277075       9.29201158      -0.71981029      -2.37560860       0.59030064 
O       2.88100463       1.14400170       1.10591953       1.99932494      -2.78599194       2.73947340 
O       2.85751841       5.54218637       4.63772890      -0.56859502      -0.99063556      -1.11562518 
O       1.99321439       7.98651520       3.68229766      -0.62120448      -0.75674017      -1.25505250 
O       3.73664092       3.50023711       6.85739594       0.93335005      -1.64273954       1.11753439 
O       4.53339057       5.20175363       8.27995714      -1.54580186       2.05855176       0.79631606 
O       5.63592151       1.05281813       2.41299509      -0.99445960       0.86584735       0.29461011 
O       2.62879363       2.55434319       3.41632156      -0.13851931      -0.46955760      -0.90246822 
O      10.37155819       7.47614098       4.79140104       1.70438836      -0.59407872      -1.58652725 
O       4.32747892       1.34286952       5.17249802      -1.04720692       2.26176669       1.04137725 
O       7.91938911       6.59024366       9.20722980      -1.44345473       0.40858457       0.20169422 
O       1.73790108       6.61094489       6.48006753      -3.59982253       0.09288663       0.33346424 
O       0.85311838       8.83729685       7.98868907       0.13851570       0.52765580       0.55325888 
O       6.87410540       5.54516774       7.05248890       3.94170643       2.30898398       0.87085974 
O       6.64257990       2.77329149       5.91293506       0.96245544      -0.19420167       2.52305014 
O       5.11546194      10.78101806      10.57103560       0.71549879      -1.98869389      -0.37279945 
O       5.15387621       5.42687073       5.69977103      -0.58800074      -0.68449971      -1.44681485 
O       9.99983959       0.97940686       8.08447552      -0.53820201      -1.21845262       1.16748177 
O       7.83375477       4.51190909       3.15236343       2.72321823      -1.44053877       7.11320880 
O       5.29822349       3.37140129       3.72718927      -1.17039545       0.51450160      -0.34226720 
O       2.77802247       3.48633641       0.62475077       0.34996105       3.05148375       3.05325811 
O       0.04856203       0.72042345       0.16105989       0.77820673       1.18510161      -1.03778374 
O      10.40249220      10.20525510       5.45094526      -1.76158925      -0.76543303       0.46551308 
O       2.25774269       5.59731965      10.26109535      -0.56181030       0.51626849      -0.63649859 
O       8.10604776       6.18628090       1.11917526      -0.28315478       2.80171261       0.06248362 
O       2.41216067       9.71489231       5.61135898      -0.61548892       1.69898826      -0.28610193 
O       8.38815143       9.86848965       3.63663710       0.93749164       0.38381745      -0.79000458 
O       0.16164798       6.91287380       0.95366002      -1.92926942      -0.37136144      -0.11113949 
O       9.42200361       7.69789489       7.00891559      -0.17803406       3.22034949      -1.82161661 
O       2.52995459       5.69913854       1.97789368       0.49038104       0.60198259      -0.19647552 
O       8.50079553       0.66441830       0.69167189      -1.28221198       0.19340834      -2.08459209 
O       0.72678680       8.83111242      10.66720745       0.96989120      -0.05569576      -2.21053024 
O       1.47634047       2.42857809       8.38706124      -0.49511425      -0.09178240       1.37467234 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0032058268815802213 0.0066443040622353846 -0.011694625353254938 0.0066443040622353846 0.016420530563517756 -0.006589280010045695 -0.011694625353254938 -0.006589280010045695 -0.0025229454715059094" pbc="T T T" energy=-922.4591195 free_energy=-922.46014324 config_type=amorph 
Hf       8.62194754       2.51833741      10.08595681       2.12000456       6.47220274       1.71140197 
Hf       3.92548670       7.26216196       3.20000636      -0.68344826      -0.63615213      -2.87825186 
Hf       7.25124936       7.90948637       3.03684196      -0.57902677       0.09241294      -0.72610488 
Hf       7.74276098      10.09964506      10.13961048      -1.87427178      -4.35422599      -2.87796708 
Hf       4.29258244       4.71178656      10.36347486      -1.64191214       2.28586877      -3.04609288 
Hf       0.04561203       2.86752439       7.05803205       1.29704071       3.44394481      -0.44982727 
Hf       1.48760937       1.86598238      10.36026279      -1.64788053       1.19865801      -0.39822287 
Hf       3.54333742       6.47513082       6.38198670      -0.88351915      -1.78236333       1.91965512 
Hf       4.33340171      10.20616878       1.61367769       0.22824413      -0.74906896       0.31805819 
Hf       1.18266055       4.90862793       0.64266204      -2.92665516       1.95845957       0.00267639 
Hf       1.23402200       8.74263339       1.70181333       1.74719180      -1.17859880       1.23843467 
Hf       1.31628794       0.72108579       4.16248457       1.31788017       0.16590055       0.12075189 
Hf       9.51389099       7.09152534       0.40335046      -0.24039311       1.33242718      -0.33541907 
Hf       8.97691890       5.98787414       7.85917658       2.71693704      -2.92621083       0.49511234 
Hf       3.75187891       2.52480216       1.85406503       0.68461559      -1.35321576      -2.03665936 
Hf       9.34800762       3.26326345       4.15849692      -3.35855392      -1.17556494      -1.09238096 
Hf       9.33969056       0.26333074       2.51726198      -0.94099875      -1.17739219       1.13975190 
Hf       6.37329532       7.27339363       9.73789434      -2.28704106       1.29453662      -3.71271493 
Hf       6.01172535       1.60823605       4.12029555       4.68277443       0.13622918       2.31770236 
Hf       3.71243026       3.63322918       4.45589590      -0.10366737       1.13797443       2.60498850 
Hf       4.26935547      10.11067393       5.25093079      -3.39769172      -0.44203921       1.13273839 
Hf       1.51092059       7.51913554       8.94347501      -0.25773505      -2.40877974      -0.28289702 
Hf       1.07642421       5.41302040       3.62588811      -4.63467416       1.51258166      -1.68602894 
Hf       4.02353952      10.05430281       8.80581709       2.62805346      -3.75112241      -0.43932664 
Hf       0.66203695       8.27163172       5.45230708       1.26876672       0.42027833       2.82802489 
Hf       6.63379287       4.98923567       1.73874711       1.90570915      -2.72804329      -0.13423920 
Hf       7.95036503       1.44663268       7.07672324       1.76036062      -1.42698166       0.60844930 
Hf       0.17806465      10.38939367       8.99875767      -1.01469391      -3.11599368      -2.03161579 
Hf       7.05849345       5.34938714       5.50700828       2.40861717       1.68351019      -3.92520551 
Hf       8.43114371       8.87470386       5.65613204       1.81824410       4.07227214       0.93177346 
Hf       5.84573982       3.90927772       7.67667363      -0.49542096      -0.71975568       3.73743992 
Hf       3.07989221       2.03591019       7.29991312      -0.28420542      -0.78715333       0.03574009 
O      10.43416118       8.89977131       0.93313477      -3.82844953      -1.11450680      -0.04355760 
O       4.41568990       0.13903852       7.05884758      -0.28672873       0.24876834       1.21453440 
O       9.61251529       3.77286589       8.30259472      -0.08742485       0.66804354       1.22905513 
O       2.96158109      10.79516184       3.16605526       2.40063454      -1.01920840       0.24366138 
O       3.32644944       8.11423368       8.55193171       2.45790709       0.74240982      -1.06022395 
O       3.50327472       8.15826785       1.44225996      -1.44062968       2.91682920       0.08590450 
O       6.35322820       9.17933861       8.74185944      -0.86982602      -1.14138232       0.84619418 
O       7.57004819      10.51679993       6.44250409       1.21462032      -0.17040756       1.22868070 
O       4.39664307       7.99224475       5.61575418       0.30114474       0.73728189      -1.54501784 
O       5.24322070       3.51812862       0.71623919      -0.76132127      -0.16882964       1.47587710 
O       5.54519771       8.86081238       2.71326894      -1.77359489       0.62008801       0.30853712 
O       8.51838534       4.39039110       6.23356003       0.57229416       1.36379843      -0.22084124 
O       5.65645968       6.06190509       3.00950216      -1.32165155       3.54210414       2.24227106 
O       4.16169955       3.00975761       8.68750402       1.94940487      -0.16267016       0.01850640 
O      10.44982822       4.39245001       2.19277768       2.65928682       0.36884665      -0.17555429 
O       6.02182318      10.60462182       4.64108775      -0.80307066      -0.84187435      -0.30729800 
O       9.27602483       8.97877425       9.50239139       0.94668185       2.45331334      -0.10164858 
O       7.63519852       1.09918044       9.31692661      -0.35565150      -2.15126070      -3.38941124 
O       1.18370407       1.35720796       5.96264776       2.00444488       2.75234617       2.27619948 
O       7.11517050       8.23147925       0.36097123       1.84764888       2.17891708       1.92375800 
O       0.09047356       3.95064947       4.56795821       4.73797272       1.38330770       3.73631469 
O       7.88404763       4.01308224       0.54220062       0.83678376      -1.21898857       0.13342082 
O       9.41528026       2.22099163       6.01206451      -2.48468164      -0.53008109      -3.52368262 
O       5.38795317       6.29609768       0.27321100      -0.23415889      -2.87548976       1.50629063 
O      10.65379007       2.95566003      10.67152557       2.14061914       0.68595677       0.50565652 
O       7.40175622       7.25439955       5.01702665      -0.79882672       1.35626628      -2.20281047 
O      10.43726882       1.62324736       3.55014805       0.37184032       0.19224249      -1.22751467 
O       8.04844608       1.12674410       3.89498586      -0.53743624       1.84688756      -1.63994822 
O       0.40793966      10.33583945       2.96063952      -0.73733369      -2.90299534      -1.84511853 
O       7.10216697       3.52567824       9.09651216      -0.09607390      -0.66497480      -1.61248796 
O      10.62834862       6.09668497       9.80297769       0.62266110       1.20731410       1.23343580 
O       2.41403773       0.19270315       8.93831563      -3.04805405       3.17786255       0.36778207 
O       2.67755563       1.02366152       0.98824047       1.34358257      -0.08897149      -0.71868088 
O       2.96823811       5.78041643       4.38138738       2.00089211      -1.86004451       3.87763685 
O       2.13023927       8.04138249       3.78297219      -1.53779403       0.22680129      -0.65686791 
O       3.17465349       3.82286205       6.45103122      -0.64206639       0.08565045      -2.02418700 
O       5.19829946       5.55288097       8.64248235      -2.42064500       0.19076042       1.51016833 
O       5.36868215       1.14792204       2.44599962      -2.97930204      -1.56961328      -4.55772007 
O       2.16365885       2.85212811       3.22325808       3.18878201       0.62979340       1.14108002 
O      10.62869873       6.53275965       4.66072767       1.99970448       1.61370460      -0.94702386 
O       4.13053614       1.65340188       5.10821586      -0.93957975       1.55347056      -0.79186662 
O       8.13564579       6.68151657       9.50062593       2.75362371      -0.90102834       2.64294205 
O       1.57486717       6.60983983       6.87645678       2.08360315       0.06742494      -0.69301712 
O       0.66107986       8.78018044       7.68386054      -0.17938811       0.59179647       0.90554585 
O       7.14246231       6.03554964       7.54030479      -1.95592109      -0.21227631      -2.38518738 
O       6.47468224       2.44285670       6.26951891      -0.82173451       0.59045478      -0.37807903 
O       4.94962471      10.37235939      10.52112695      -0.83923608       0.49569505       2.09517245 
O       5.23466937       5.04156160       6.06196502      -2.40309693       0.25653247      -1.50379453 
O      10.30306963       1.33155893       7.79150702      -1.14168737      -6.51341578       5.44478788 
O       7.75612831       4.48689700       3.72643920      -0.43718626      -0.36377979      -0.43002734 
O       5.49290423       3.59420838       3.25511195      -3.72312198      -1.35268179       1.58292999 
O       2.61455225       3.51117414       0.45292115       0.19684343      -1.10231259      -0.46420822 
O      10.68325391       0.55204311      10.59613551       1.55177550       0.01556402      -0.09319034 
O      10.29318817       9.80048290       5.76574905      -1.53712074      -1.21525727      -2.28407901 
O       2.49736715       5.75251927      10.08848917      -0.26797341       0.06194678      -0.00006587 
O       8.22251005       6.53057806       2.14014223       0.61482097      -0.61818050      -2.69580373 
O       2.21632535       9.85093795       5.71300027       0.28636672      -0.12075257      -1.73429518 
O       8.58977547       9.37842410       3.32214847      -0.65190363      -1.03672711       1.00626069 
O       0.40488218       6.66563502       1.72231568       0.33265794       1.33706367      -1.05599364 
O       9.34288569       7.50293459       6.64751531       0.50303923      -0.42839881       1.28425039 
O       2.67324359       5.75081472       2.09224939      -0.24302990      -1.89222589      -0.61220963 
O       8.21303374       0.25723446       0.75555659       1.40297342       2.51402180       4.16993138 
O       1.44282579       8.97373636      10.20915460      -0.20235600       0.97409930       1.64859090 
O       1.65012391       2.94107321       8.50813997      -0.18732629      -1.95610664      -0.09802380 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006883096149844905 0.01611115313685646 0.004750404044842246 0.01611115313685646 -0.016932388600486563 -0.006324466977267729 0.004750404044842246 -0.006324466977267729 -0.009702449822440949" pbc="T T T" energy=-923.23934406 free_energy=-923.24066905 config_type=amorph 
Hf       9.19950387       2.81012083      10.42103671      -4.21932358      -1.97659283       0.23289704 
Hf       3.58124729       7.14728514       2.92776266       0.71640873      -0.16142009       0.08316633 
Hf       6.78173361       8.32228176       2.67971149      -0.07696632       2.18626095      -0.34313216 
Hf       7.31011419      10.29987384      10.07436287       2.27673714      -2.06857150       2.11405952 
Hf       3.61962757       4.50301458      10.07224403       5.30258077       0.58683056      -3.47775757 
Hf       0.14932156       3.22786921       6.73186241       2.33527719       0.00624299      -0.72148485 
Hf       1.69398785       1.56333250      10.26680569       2.20299445       3.30849542      -1.23454633 
Hf       4.10547966       6.59646001       6.75287001       0.03828916      -4.86921313       1.20146486 
Hf       4.20271184      10.45971022       1.47373418       0.39679960      -0.45618054       3.91569828 
Hf       0.75326232       5.01435555       0.51490393       0.04297296      -2.04666705       4.06861069 
Hf       0.85862451       8.78892253       1.36744876       0.42704331       0.54445397       1.63934956 
Hf       1.72494325       1.01592767       4.00854428      -0.65977539      -0.90306963       0.34553984 
Hf       9.02933179       7.18860826       0.49402530      -3.25929977       3.91035511       0.37064691 
Hf       9.07813896       5.58448243       8.26159100      -2.08400652      -1.44680023      -0.53312744 
Hf       4.02271096       2.69432828       1.76964736       1.44987023      -1.95585015       3.96166613 
Hf       9.66881129       3.10559096       3.63558903      -5.55248925       2.09602473       1.93281864 
Hf       9.28136866       0.13583362       2.14497244      -1.11458816       0.69633417       1.47887578 
Hf       6.20560631       6.88301913       9.66719694      -2.08119365       3.72795808      -0.92769564 
Hf       6.21115131       1.53727148       4.05975494      -0.52088982      -2.64165376       2.50716374 
Hf       3.76715295       3.95070310       4.65602437       2.18965928      -3.10973818       5.10007379 
Hf       3.98024033      10.03832366       5.43355239       3.06517703       2.16919030      -2.49174183 
Hf       1.63548725       7.06972979       8.83749303       2.20898325      -0.14942162      -3.27797329 
Hf       0.79179882       5.74698774       3.87439297      -1.31161623      -0.32767664       0.12298427 
Hf       4.28761544       9.86866085       9.13804784       2.46120854       2.31668484      -1.24422603 
Hf       0.79392254       8.34765850       5.49822809       1.50528807      -0.47906917       0.20958388 
Hf       6.72878159       4.48328118       2.22978604       0.97614784       1.94463117      -0.87345026 
Hf       8.25700093       1.45267783       7.40853124      -0.59861030       2.43073771      -0.70549996 
Hf      10.85287567       9.96897636       9.06683141      -2.93671888      -2.27835095      -1.04864190 
Hf       7.38658641       5.93635918       4.80689904      -0.14737358       0.40136213       4.34425840 
Hf       8.51302153       8.76694480       6.35969979      -4.37536406       1.38410721      -2.27438745 
Hf       5.99101608       3.97470619       7.61529816       0.23310748      -1.49271937      -1.58545179 
Hf       3.24737462       1.56608047       7.31777498       0.36259635       6.85013688      -1.76704561 
O       9.73967847       9.13622202       1.25733593       0.25930212      -0.94779767      -0.26821195 
O       4.47112814       0.09352127       7.33001846       1.96922438      -4.24253308      -0.24572268 
O       9.91929374       3.51824304       8.35860465       2.99686111       1.05170536      -0.36524670 
O       3.24460951      10.79220370       3.43428352      -0.18765787      -0.20073907      -0.14735750 
O       3.82096294       8.11587722       8.85319784      -2.18842918      -1.88757681      -1.00285153 
O       3.11768213       8.82130858       1.16862176      -2.52003494      -1.04906784      -0.44631147 
O       6.26872130       9.03919154       8.97270066      -2.11176855      -0.57614386      -0.88748188 
O       7.86239114      10.53714051       6.99367619       0.51447988      -1.63220205      -1.04796980 
O       4.13077368       8.04764607       5.57581829       0.06207840       2.58051688      -1.29968516 
O       5.27849672       3.93964340       1.12603550      -0.58644899      -1.38572727      -2.77718540 
O       4.83874705       8.84363132       2.81065095       0.03479276      -1.48887509      -0.11400590 
O       8.24760323       5.01252419       6.54686663      -0.05379541       1.22292076      -0.47931041 
O       5.61283284       6.15690250       2.82887107      -2.06263717       2.17865589       0.90225664 
O       4.73616148       2.95118743       8.85275620       0.43130191       0.39174367       1.80378725 
O      10.58732720       4.23698614       2.44978339       1.55117868       3.66890424      -3.32889009 
O       5.80563121      10.46958962       4.67804379       0.10688359       0.56329230       0.19372796 
O       8.89639737       9.03633480       9.53314073       3.55896635       2.36644215       0.40998774 
O       7.43319929       1.06063699       9.12872928      -0.00982042       2.05406103      -0.71185357 
O       1.83172925       2.19818306       5.88254723      -1.23675097      -1.08051397      -0.10929155 
O       7.23727245       8.42609583       0.45058942      -1.23062285      -1.16800352       0.78489035 
O       0.29401114       4.08850497       4.64854683       1.03088534      -1.49690947       4.77347629 
O       8.21317835       3.38862947       1.45522170       1.36166244       1.34043348      -2.33332901 
O       9.45884424       2.60823189       5.90581025      -0.26041000      -1.98959437      -0.41542145 
O       5.07385960       5.80421108      10.74990720      -0.25263983       0.90611352      -0.50914266 
O       0.25490153       2.78297482       0.10995009      -0.57101466       1.63101480      -0.31535480 
O       7.38133041       8.01176590       4.64714658       0.64926732      -0.33006895       0.65198843 
O      10.61788547       1.60469166       3.36334392       3.39577158      -3.45954744      -0.86872210 
O       8.13041226       1.59348268       3.37621272       0.05304018      -0.01912564       0.70197865 
O       0.51904758      10.31815465       2.81165397       0.78547572      -1.03946333      -1.13723450 
O       7.85177568       3.65657188       8.93522124      -2.18543880       1.28344202       0.95161778 
O      10.67339145       5.66219738       9.77422364      -2.38950985       0.71567189      -2.32512546 
O       2.66043330       0.27271845       8.77430704      -2.00381835      -0.54238130       2.49455376 
O       2.92171751       1.13045589       0.98490757       0.21825364      -1.60187053      -0.97825323 
O       3.08260250       5.70647625       4.51688325      -1.06194330       1.96356111      -0.68325286 
O       1.79407244       7.78065272       3.79356745       0.21810360       0.18125998      -1.34176003 
O       4.05078943       3.86704245       6.85685182      -0.17509405       0.31875963      -3.81011317 
O       3.64976397       5.69684654       8.57922602      -0.63762161       1.27636206      -2.22452410 
O       5.46637411       1.03565227       2.27009441      -1.77009068       1.91889747      -0.32215754 
O       2.72406158       2.86399206       3.37072016      -1.08183972      -0.94631893      -0.99526503 
O      10.16669222       6.58825922       5.01697867       1.50434427       1.26864339      -1.01033288 
O       4.38782651       1.58730368       5.21015472      -1.87522650       0.91792535       0.63193706 
O       8.01368628       6.31630712       9.88049483       1.52427080      -2.00116705       0.09295698 
O       1.95059372       6.65903587       6.77862902       0.96264032      -0.77308307      -0.21305523 
O       0.72922665       8.47515161       7.40183449      -0.77809211       2.21866523       5.87805790 
O       6.17148303       6.20412854       7.77243369      -0.83681011      -0.13486307       1.60960437 
O       6.65499426       2.41382885       6.35461228       0.94567728       0.28637577       1.35836729 
O       5.43460633      10.71008595      10.79443468      -2.09174178      -0.81106504      -1.16067570 
O       5.59913494       5.45293610       5.53835179      -0.62523956       0.31171641       0.11901208 
O      10.18314037       0.90519027       8.59916417      -0.05685591      -0.12202031      -1.08400432 
O       7.63117157       4.25364382       4.03782031       1.56146494      -1.63607124      -1.72796557 
O       5.27020115       3.69280423       3.47917306       0.22151135      -2.73753193      -0.26708124 
O       2.75317497       3.48241542       0.59005058      -4.19219872       0.43754087      -0.67836989 
O       0.60754637       0.11004758      10.64388114      -0.77206464      -3.00997748       1.80588534 
O      10.05472252       9.30656942       5.53628257      -0.13478101       2.43008777      -1.65046895 
O       2.08275713       5.85335404      10.25380204       1.54206330      -1.35210180       2.73170134 
O       7.78596821       6.69460218       2.12978439       2.98551375      -2.44498927      -0.69070172 
O       1.88680152      10.16729496       5.59515532       0.63001087       1.04727707      -0.55860226 
O       7.47656492      10.19784119       2.41136587       1.07074367      -1.77295268       0.33278736 
O      10.81753127       6.81586742       1.08697811       0.95842286       0.47330245       2.30132277 
O       8.88842804       7.55706832       7.66960657       1.11383097      -3.48896455       1.18650577 
O       1.83143592       5.75867548       2.23978301       3.21534103       0.61560873      -2.54909456 
O       8.53708119       1.05626796       0.54450760       1.89388261      -0.44370116      -0.91390873 
O       0.99788656       8.24667685      10.26032759      -0.55301466       2.77648539      -1.22182902 
O       2.14732534       2.87236850       8.42106130      -2.05875234      -0.72483885       2.40271887 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01354036838907792 0.0077621783881668795 0.012513286050815904 0.0077621783881668795 -0.03065485749971568 -0.026107024641961372 0.012513286050815904 -0.026107024641961372 -0.02052995772312296" pbc="T T T" energy=-920.50117537 free_energy=-920.50120345 config_type=amorph 
Hf       8.82512090       2.66040660      10.51585108       2.55262076      -1.60804150      -1.06502120 
Hf       3.74156320       7.15630450       2.85607744      -3.49339404      -1.91344616       0.81568649 
Hf       6.98773200       7.81026573       2.71760085      -0.67425468      -1.37632892       2.78896032 
Hf       6.92921838       9.28106262      10.69486012      -2.33877946       7.63236296      -1.30649444 
Hf       3.13304388       4.60891307      10.10039871       2.86486223       0.79224718       0.86047337 
Hf       0.74880686       3.63192056       7.70468489      -5.08614372       0.16857433      -3.09431531 
Hf       1.25807330       1.53630809      10.58187101       0.08803633       3.81862029      -3.08803624 
Hf       3.76288162       6.28017291       6.48071729      -1.49875989       2.48426095       0.20112354 
Hf       4.57847791      10.39449822       1.72129649      -3.33350668      -1.39277336      -0.20005106 
Hf       0.82384887       4.80088711       0.98215417      -3.07412095       1.78836054       1.83236187 
Hf       0.98053245       8.85376139       1.29332619       1.71301066      -2.26790474      -1.40513161 
Hf       2.03116824       0.56221737       3.61954181      -3.33408140      -1.90881009       2.07538862 
Hf       8.95376565       7.20807991       0.41439702       0.70638817      -1.44729985       0.69257267 
Hf       9.15407107       6.06473339       8.16745396       0.83020423      -3.28065724       3.89910149 
Hf       3.73455824       2.32210095       1.68492670       2.09637903       3.21877809      -0.72514780 
Hf      10.14852920       2.91866242       4.30653048      -1.28674808       3.09101855       1.74385214 
Hf       9.48972722       0.04563038       2.69157977      -2.48608650       1.23409604      -0.28071000 
Hf       5.02255569       7.07167937       8.95765016      -0.48789068       0.81664119       1.71020015 
Hf       6.54562270       1.41804365       4.38669886      -2.43742894       0.73014550       2.23213690 
Hf       4.03544765       3.98303009       4.38485523       0.54454513      -0.09046093       1.93493012 
Hf       4.73137056       9.66800032       5.16786799      -1.86746062       0.64264959       3.45268526 
Hf       1.33514663       7.30396677       8.74198949       4.74120326      -0.00335878       1.45487547 
Hf       0.34381612       6.32218432       3.64436890      -1.42569707      -3.36979178      -0.29207517 
Hf       3.90959233      10.01341178       8.62760914      -0.33734762       2.78489583      -1.40018250 
Hf       0.45601945       8.58046397       5.80461668       3.06068746       2.84009878      -0.78590335 
Hf       6.18115322       4.92237828       0.90721216      -2.48114282       0.45839575       0.34464004 
Hf       8.82733494       1.61136301       7.57178803       2.96218452      -0.30139497      -4.29099651 
Hf      10.52124365       9.91440457       9.31399876      -1.70693758       2.97055714      -6.29578258 
Hf       8.36861704       5.36622362       4.95508774      -0.81978852       5.65531716      -7.59952823 
Hf       8.35772865       8.72104681       5.84905101      -1.67389739       0.07479970      -1.40526626 
Hf       6.13952396       4.15868452       7.03796407       0.84359769      -0.87393500      -3.35381706 
Hf       3.78524551       2.19415806       7.29327217      -3.30291468      -0.53199989      -1.76539661 
O       8.48534237       8.87077603       1.77321064       0.36871035       1.25458111       0.04084552 
O       3.91139503       0.16283903       6.72998567       2.18139227      -0.27806022       0.29234596 
O       0.41583907       5.68454422       8.31485242      -1.63972730      -1.18050681      -2.11992863 
O       3.86817878       0.06659749       3.78958881       2.66266947      -1.39345885      -0.75539483 
O       3.23388776       8.50508966       9.37246103      -0.95201743      -5.18766839       2.10078181 
O       3.02296622       8.67999217       1.81819474      -1.09913597       1.42464237      -0.62622198 
O       5.60003363       8.91328108       8.80389019       4.29999493       1.00662031       1.23903462 
O       9.13946753      10.46510117       7.64596977       0.00966442       0.25055661      -0.78493018 
O       4.41571813       8.23982084       6.81323096      -0.31838424      -0.16104354      -0.66575740 
O       4.50327274       3.40674744       0.13164425       2.48154756      -0.75261610       0.55882048 
O       4.94036000       8.13446755       4.08623784      -1.54403163      -0.05067802      -1.39063383 
O       8.37880530       5.12163900       6.67229919      -2.68114534      -0.89683539       7.18529620 
O       5.33446974       6.48845234       2.15443051       2.46615897      -1.14619441      -0.72760400 
O       5.18313714       3.03268593       8.29415976       0.75787777      -0.17195010       1.24466809 
O      10.64161629       4.02444364       2.73309895       2.05968603       2.55277924      -0.96695436 
O       6.68385927      10.17999202       4.84415341      -1.05596795       1.54178881       1.29505406 
O       8.76188997       9.39968010      10.08788925      -0.59713358      -1.60188944       0.04450058 
O       7.80664502       1.74698264       9.04650384      -2.27009926       0.24661019       4.14227061 
O       2.08513152       3.35572666       6.29536672      -0.40467491      -1.77965599       0.25643378 
O       6.52256683       7.67737386       0.35664356      -0.34265958      -4.76841942       1.18858671 
O      10.45639567       4.88740841       5.28344863       0.81534689       0.46825903      -1.70443063 
O       7.77262162       3.78549401       0.64362348      -3.33467239       2.47220010       1.32957750 
O      10.39207139       2.50040704       6.39127595      -1.06441096      -0.67312371      -1.20211150 
O       4.66296680       5.81634253      10.51294201       3.96161496       0.90467200      -0.22394597 
O      10.69117721       3.25037358       0.22904352       0.66668169      -2.54958237      -1.15061641 
O       7.00843704       7.50224412       4.80749397       2.79494005       0.00098351       0.44456024 
O       0.16762734       1.42995340       3.36607462      -0.32451179      -1.15961207      -0.18234882 
O       8.28423400       1.24318239       3.92910860       4.12447891      -0.46624345      -1.27380272 
O       0.37999061      10.06468312       2.56552513       1.55003228       0.13174761       0.89114569 
O       9.38854147       4.03128510       8.61616262      -0.33081123      -0.44012741       0.50137346 
O      10.30835353       6.02250952      10.61851058      -0.52837572      -1.60788768       0.41124569 
O       2.78063462       1.00138079       8.77944503      -0.11351150       0.02985380       2.24234856 
O       2.49671523       0.61157408       1.16473637       1.13972940       0.95662953       1.68404616 
O       3.31618453       6.05085896       4.59615142       0.29402898      -1.26929461      -0.15058590 
O       1.11363461       7.95300985       4.04015258       1.81814842       0.92867271       0.70364528 
O       4.00749208       4.30994307       6.60682252       3.14080420       1.36127451      -0.44370533 
O       3.06279681       5.85777052       8.43009597       1.46079255       2.27192447      -1.08653884 
O       5.52673407       1.13902080       2.17874398      -0.10832427       2.92782736       0.79099731 
O       2.81793285       2.47464533       3.56967267      -0.52561053      -0.53463599      -0.90389408 
O       9.51941189       7.19527732       4.49429301      -0.05965100      -0.50377508       1.51240407 
O       4.80834163       2.34563841       5.33752135       0.26669230      -0.69130474      -0.00425103 
O       7.69014062       6.25469075       9.68226753       1.62722902       0.55163071      -0.88591113 
O       1.77360179       7.51090891       6.67280727       1.05849300      -3.69706588      -0.61775952 
O       1.45637779       9.16488607       8.14219706      -4.03816965       3.99955716      -0.15303910 
O       5.97987409       6.15040138       7.48617323      -1.44162663      -0.83829534      -0.02214228 
O       7.19077041       2.29947390       6.36293292       0.54436631      -0.43027130      -0.66279017 
O       4.84399078      10.29530418      10.70023923       0.85892123       0.66278412      -1.72708477 
O       6.09656924       4.64626341       4.81496401      -0.90778080       0.10307262       2.03016269 
O      10.65602073       1.71532006       8.81410505       1.07073659      -1.21330800       2.07549943 
O       8.36604364       3.82900392       4.01266970       0.35738256      -4.23739535      -1.69987939 
O       4.62730093       3.94380236       2.51556481       1.72485447       0.64680893      -0.34477943 
O       2.22202059       3.35079461       0.76423430      -0.75345339      -1.03387931       0.02157300 
O       0.33803380      10.72402042       0.08145149       0.54721170      -0.60612959       0.99013417 
O       9.50297199       9.62668263       4.68472034       0.58907960       1.40813469       0.07299069 
O       2.19249509       6.10517529       0.07433460      -1.83060990      -0.29070916      -1.48714852 
O       8.06809902       6.24650701       2.07611520      -0.62137897      -0.39311762      -1.59163643 
O       1.98463515      10.00786819       5.22613377      -1.89645521       1.31924195      -1.19140658 
O       6.09584175       9.48693888       2.15305913       2.09949573      -0.96376212      -0.66570937 
O      10.68962432       7.33958617       1.87691333       0.08459580       0.06520309      -0.53672864 
O       9.69423450       7.99744603       7.30874184      -0.30670071      -1.28501128      -0.74178096 
O       2.06932607       5.83383908       2.40322414      -0.72696657      -0.04543115       1.79282486 
O       8.85282796       1.14209955       1.11815932       0.68379799      -0.77719086       0.32666661 
O       0.14061400       8.30220031      10.12965519       1.01220690      -2.31613166       2.83927769 
O       2.06954895       3.49354178       9.00785736       0.42898603      -2.99394801       0.69599298 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.020315042147942445 0.0004037075011599121 -0.012484523310552605 0.0004037075011599121 -0.015334115958908894 0.009615347534098784 -0.012484523310552605 0.009615347534098784 -0.007378161362819957" pbc="T T T" energy=-915.51127734 free_energy=-915.51173314 config_type=amorph 
Hf       9.69049600       3.19031999      10.51585075       0.54461750      -2.51382190      -1.09529177 
Hf       4.30795473       6.99080913       2.27742387      -1.68815371      -1.68398705      -1.56667557 
Hf       7.24167307       8.81389889       3.07660382       3.37925885      -0.42716042       0.01815456 
Hf       6.94107917       0.39951892       9.87935339       3.39618975      -1.55008070      -0.20491174 
Hf       3.56205150       3.86553928       9.08209708       2.41166133      -1.04285618       4.48356114 
Hf       0.39861654       3.48323366       7.41435384       0.47050260       2.81269927       2.25834538 
Hf       1.78207920       1.05839787       0.04885363       0.52108484       1.56946417      -3.76087785 
Hf       3.26653827       6.88373652       6.21697368       2.67444882       3.21943692       0.46183411 
Hf       4.38053136      10.26237531       1.52548950       0.27435539      -0.48582514       0.76226149 
Hf       1.66434792       4.54885948       1.42854989      -0.26555041       0.76594195       0.24127870 
Hf       1.27394682       8.61268012       1.40401039       0.49673989       0.76632440       0.85966988 
Hf       1.92493080       1.11548301       3.96056882      -1.86150857       1.77651959      -2.53153220 
Hf       8.52147527       7.46519831       0.18832326       2.23255382       2.43116502      -1.34144995 
Hf       9.34572051       6.33407519       7.73222129       1.71669953      -0.71917852      -2.66994226 
Hf       4.48469273       2.71077903       1.62860497       0.28487046       0.64376413       2.24955195 
Hf       9.87074148       3.21144820       3.83590466       2.20221235       0.31950118      -0.71992144 
Hf       9.92876407       0.16979373       1.88478072       1.21640488       0.25254860      -2.00840300 
Hf       6.04270518       6.29362047       9.52253418      -1.42966726       5.06111400       0.18597068 
Hf       6.54470838       1.87600063       3.89968308      -1.39879469      -3.00129161       2.18445015 
Hf       3.37597432       3.94278317       5.94066427       1.11378055      -4.02285412      -3.03553184 
Hf       3.81250225       9.96662791       5.16219837       2.75862988      -3.02847661      -0.98695578 
Hf       1.08113456       6.46057005       9.77326752       0.67423536       0.09443273       1.31458111 
Hf       0.40855185       6.13316245       4.67831389      -0.35197251      -0.02767294      -1.54570176 
Hf       3.33525308       9.02185219       9.29648278       4.71189715      -1.49890138      -0.34377161 
Hf       0.23822638       8.93515784       5.16596878      -0.02347060       4.81401489      -2.17725528 
Hf       7.49612005       4.97532747       1.82014573       0.51634529       0.88825846       1.32399744 
Hf       9.61584201       1.42463683       6.84813840      -6.34397754      -4.36052956      -0.55138318 
Hf      10.53440482       9.75683153       8.85540537       0.19703744      -1.55125252       0.62433690 
Hf       6.54520245       5.13298932       5.12635098       2.44786667       0.16259987       0.73613854 
Hf       7.23608140      10.25125992       6.08948514       0.25371819      -1.93944840      -0.35599180 
Hf       5.98573772       1.99005660       7.43585019       1.26295281       1.21521549      -1.66131222 
Hf       2.38846676       0.77056899       7.22184404      -2.66559213      -2.37951902       2.57797487 
O      10.36726601       9.24013543       0.97967892      -2.59384926      -2.29587392      -1.53198603 
O       3.75627411      10.03725235       7.08169013      -0.56317036       0.94079902       1.36916675 
O      10.61425239       4.53348980       9.18163473       0.69497834       2.78340883      -2.39108808 
O       3.03216623      10.25195939       3.38459318       2.15892517       0.09527790      -1.41135370 
O       2.86685890       7.78517950       7.93636412      -2.60282923      -3.80071353      -1.44797597 
O       3.79516888       7.94821916       0.27687818       1.83174380       0.04449407       3.04841563 
O       6.21516925       0.08825528       7.62253610      -1.48179460      -1.03507189       3.39328891 
O       7.46418747       1.48035472       6.13456358       0.46885482      -0.94885778      -1.16984588 
O       4.54215339       7.92868911       5.09699180      -0.87106214       1.47595898       0.60332311 
O       6.44658738       3.31565854       1.71739102      -0.97684948       0.52665469      -0.37518880 
O       5.38132829       8.65055992       2.37025652      -0.45565859       1.27208327      -0.05716042 
O      10.61396101       5.13227530       6.33165357       0.62198155       1.35865747       0.15110258 
O       5.51839530       6.09442978       3.52842674       2.13206829      -1.21518268      -0.13148523 
O       3.72613500       2.65487930      10.59307553      -0.43992840      -1.87935805       1.31593688 
O       0.45526461       4.60268945       3.35208793      -0.39983306       3.26010794      -3.18654323 
O       5.78879592      10.52246857       4.66368646       0.75769822       0.85721617       0.42035910 
O       8.70993945      10.68563547       8.27558105       1.20990648      -0.84924614       0.99526691 
O       6.60865757       2.16671340       9.24854271       0.39829834       0.80528228       0.30473153 
O       0.57271091       1.72136608       6.53006412       0.72867655      -0.55286485       0.14112567 
O       7.54731735       9.13180218       0.30955518       0.23813394       0.17368431      -1.12487552 
O       1.31938189       3.01481494       4.51697108       2.73003192      -1.29796814       2.43258965 
O       8.94665201       4.88370292       0.22695009      -3.08230177       0.44894904       2.60953541 
O       9.41534442       2.94399563       5.59470978       0.31024833       0.02257369       3.38280293 
O       6.24271140       6.23003649       0.74512113       0.12520868      -0.51896442      -1.43032445 
O       0.75433156       2.86601166       0.42024274      -1.26392514       1.86944240       1.18405944 
O       7.51221938       8.44876370       4.90202672      -0.73927837       0.33962560       0.47181525 
O      10.81763744       1.55484001       3.06435839      -0.69436872       0.69078348      -0.25864303 
O       8.20874385       2.46600225       3.24900036       0.88715394       0.18456660      -1.60329627 
O       0.66209720      10.07045849       2.86309923       0.20540983      -0.20970418       0.13789856 
O       5.36323497       4.71240873       8.85038083      -1.48686333      -1.55033373      -0.33950422 
O      10.34198654       7.43894339       9.47366361      -3.92337898       2.33923061      -2.44730949 
O       2.37992888      10.64455315       9.30513975       1.66157761       6.13830300       0.86681245 
O       2.53052357      10.34330635       0.79697188       0.27805230      -2.71584908       1.64141942 
O       2.49090241       4.46939329       7.72504491      -4.17112222       3.02534028      -5.38820102 
O       2.33073132       5.39974644       5.18263265      -1.37174908       0.75451891      -0.12436145 
O       4.17511334       2.75750286       7.56954434      -1.00879718      -1.48033538      -0.92883252 
O       5.11133761       7.87802735       8.70258296       2.13111403      -1.76228331       1.43463629 
O       5.32917498       0.83706117       2.50583175       0.95149541      -1.39456028      -3.69293288 
O       2.54156601       1.67696681       1.96403672       1.32280670       1.55305958      -0.47945513 
O      10.04437825       7.79746119       3.91438715       3.06248213      -1.62314029       0.96309546 
O       3.38675382       1.30486911       5.60196921       0.01050841       0.46625426      -1.14072767 
O       7.90549970       6.70104141       8.98188743      -0.74748002       0.73332243       2.37447247 
O       2.08207350       7.98529613       5.14823513      -3.73634327       0.73616193      -0.44559724 
O       1.24637427       9.85565135       7.72875866      -4.18537357       0.24595768      -1.79270453 
O       7.94581371       5.46057670       6.74927830      -1.59511359       0.35720184      -1.42197566 
O       6.05382144       3.19204061       5.64389778       0.35911231       2.62019638      -0.34262994 
O       5.18577470       0.06832115      10.48895618      -1.23277998      -1.03652575       1.71730976 
O       4.71813329       5.41431459       5.89353333      -0.71477083      -0.61479295       1.58910730 
O       9.57337550       2.43846433       8.64632279       0.43674914      -0.06999366      -2.47022159 
O       8.38260372       5.08765163       3.86149441      -1.72342439      -1.11287216      -1.33737760 
O       4.76750401       2.46902119       3.81390283      -3.52869639       4.06374189      -1.07831975 
O       3.91892881       4.71134535       1.81971636      -3.17363817      -0.13511188      -0.33994946 
O       0.05350135       0.11894937      10.27691958       0.66499638       1.96235155       0.86527687 
O       9.07859297      10.50850838       5.76422591       3.81982974       0.22003695      -0.46309098 
O       2.19147166       4.89811702      10.29770268       0.86881968       0.17132063       1.74162295 
O       8.19372136       7.12739238       1.98152676      -0.77353326      -0.05960539       2.71562115 
O       1.24635060      10.79587434       5.34616606       1.03685779      -1.97683565       0.90939551 
O       8.54018296      10.45562085       2.89099042      -4.23490531      -2.03254025       1.83769629 
O       0.15990358       6.34401158       0.75445033       3.18474431      -0.87871975      -0.59036877 
O      10.41278772       7.84184222       6.50428374      -2.01250844      -3.06441268       3.81859130 
O       2.02230673       7.18840438       2.57081359       2.35088034      -1.70063539       0.08759732 
O       8.72137337       1.51061466       0.37841318      -0.13161844      -0.11436953      -0.22455781 
O       1.77457105       8.32283098      10.19603849      -4.07701339      -1.36482556       0.81608704 
O       1.54366837       2.25518580       8.49737632       2.58098298       0.26448254       2.11863475 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.033672686044477325 0.0006734392987592395 -0.01655544338598303 0.0006734392987592395 -0.005008018052337817 -0.003530083860027825 -0.01655544338598303 -0.003530083860027825 -0.028527096717450743" pbc="T T T" energy=-922.23581306 free_energy=-922.23596257 config_type=amorph 
Hf       9.00097964       2.71308796      10.57320959      -0.01977852       2.68080188      -3.90786553 
Hf       4.50048700       6.75418309       1.83751960      -0.04610133       2.91627410       0.76290923 
Hf       7.35724492       8.42557028       2.80856750       1.48834810       0.20087235      -0.95676746 
Hf       7.08348328      10.45759649       9.60918782       0.74005016       0.91059603       0.92451501 
Hf       3.40255102       3.75400991       8.66907046       1.50210486      -0.22404812       3.21216475 
Hf       0.12500320       3.79330560       7.06186175       0.06848592       0.53614661       1.47971992 
Hf       1.81974198       1.56275223       0.11763260       4.23176498       0.72132157      -5.68254691 
Hf       3.22265794       6.78827533       6.26020926       1.57741305       2.02709425       1.57743665 
Hf       4.51828188      10.26942739       1.58112044       0.47331571      -1.33600014       0.04316140 
Hf       1.13409114       4.56641725       1.28089815      -0.20691477       1.89127927       1.98768982 
Hf       1.05779219       8.60409154       1.92122086       3.89233544      -2.92087934       0.50479372 
Hf       2.39123155       0.94783699       3.56938954      -0.57416033       5.90240787       2.35810270 
Hf       9.04463058       7.06929043      10.43883539       2.56550466       2.39056494       4.17108703 
Hf       9.13816748       6.67963701       7.31808091       1.46422319       0.98085744      -1.99043563 
Hf       4.33807994       3.49016697       1.83118676       3.22596808      -2.57233820      -3.77010963 
Hf       9.45102907       3.26814447       4.09418860       4.98686563      -6.35771138       3.23119530 
Hf       9.53474889       0.32863838       1.91219835      -0.24368073      -1.33592936      -0.45048846 
Hf       6.08863367       6.42917812       9.31671795      -2.22159707      -0.73073297       1.53990373 
Hf       6.10242570       1.70079870       3.91095090      -3.71602405       0.26238998      -1.08916079 
Hf       3.13176467       3.58231306       5.38638834       1.31445635      -1.63052555      -1.19360451 
Hf       4.07859941      10.17188199       5.60003678      -1.21164223      -1.93330789      -1.45869932 
Hf       1.28330501       6.87711153       9.32304536       2.95218979       1.27710629       1.10510192 
Hf       0.83878320       6.33748278       4.48328031      -1.08444693       1.14671982      -3.46974063 
Hf       3.61228769       9.20624849       9.30125708       0.48275916      -2.69383903       3.00158440 
Hf       0.46190523       9.67166325       4.89240473      -4.21914868      -1.53470523       0.05773554 
Hf       7.48512179       5.25933361       2.26438245      -0.77307734      -0.93698431      -3.56968336 
Hf       9.83446385       1.07847454       7.44480778      -0.53303084      -0.18911329       0.24207466 
Hf       0.02597461      10.13075744      10.01319791       0.04106107      -5.16320350      -4.81437653 
Hf       6.34072949       4.80934910       5.32947961       3.27936735       0.54169290      -2.95933709 
Hf       7.45707102       9.60278267       6.29883815       0.90148027       0.93428237      -2.05145997 
Hf       6.12809709       1.44026749       7.28344119       1.22555170       1.10003030       1.48747293 
Hf       2.27782230       0.68842041       7.73148751      -0.34628411       1.59355205      -1.78286481 
O      10.45932374       9.17707842       0.91927521      -4.19486855       2.26936183      -1.65632198 
O       3.49977713       9.86814539       7.47947714       1.05488789       2.94302727      -0.70913589 
O       0.15327512       5.69388786       8.36104255      -4.30958284      -1.69617197      -2.77796099 
O       3.62780437      10.43713268       3.41773679       1.38608400      -0.93372535       2.34029206 
O       2.73986258       7.83828698       8.06685174      -0.86508819      -3.49933856       0.59129137 
O       4.89093445       8.12752241      10.71149370      -1.57612432      -2.62241220       0.77725354 
O       6.19381608      10.07233979       7.76499937      -0.16613146       2.58600936       1.25714080 
O       8.06936227       0.72249082       6.47564129      -3.48121644      -1.49816025       1.54281119 
O       4.47097886       8.15341136       5.68035410      -1.27232541       0.26835471      -0.80295200 
O       6.40586690       3.71253024       2.98447467      -3.92096231      -1.56331617      -0.80390612 
O       5.44454250       8.69665636       2.55627323      -0.61582062       0.14323597      -1.48522063 
O      10.64518955       5.54944623       5.81652383      -2.40931887      -1.58995177       1.63467770 
O       6.23095147       6.28486297       3.42173171      -1.27395110       0.56606743      -0.42067254 
O       3.69503359       3.00211430      10.64583366      -0.14871352       0.09148917       1.97540882 
O       0.26750197       4.87596070       3.13539406      -0.29253757      -0.96854059      -0.94313167 
O       5.85237545       0.00415603       5.17082820       1.12412788       0.55096521       0.69669147 
O       9.08170679       0.16647016       9.28353070       1.85718793      -0.67967309      -0.82234793 
O       7.12688083       1.79287987       8.99430124      -1.43729705      -1.32340757      -1.08490961 
O       0.78744086       1.95004374       6.88153843       0.80971602      -1.03365391       1.10015467 
O       8.04834359       8.76744777      10.19236643      -0.96705821      -0.98505506       1.05093261 
O       1.52955662       2.82908918       4.86444384      -1.61473155       0.13370384      -2.41098605 
O       8.45597048       4.55620153       0.24551317      -1.81492923       0.12674813       1.06149562 
O       9.44171203       2.70795486       6.23677623       0.28193528       3.29882234      -4.34596445 
O       5.84756119       5.64913750       0.81863966      -0.44543976      -0.32896153       0.06072348 
O      10.60713257       3.60136934       0.44461006       1.59848293      -1.17707340      -0.72738985 
O       7.40315962       8.42395583       4.60882308       0.50194299       0.23398888       3.92283603 
O       9.99752544       1.92792119       2.70973508       0.36756327       2.18413068       0.69531225 
O       7.83259618       1.90677538       4.17597371       4.31653727       1.18441121      -0.25407612 
O       0.90356985      10.72538713       2.98969907      -2.55046345      -2.43285765       0.75684556 
O       5.35305919       4.61758709       8.82673415      -1.04070377       1.55515713      -0.42010656 
O      10.43162926       7.96944736       9.20245614      -2.32255220      -0.24649561       0.91790405 
O       2.60763914       0.08601290       9.75752134       0.47707194      -1.01694415       0.20324818 
O       2.57920643       9.79317135       1.25956996       1.31238024       3.40387179      -0.34831837 
O       2.25762621       4.42397244       6.95261525       0.34338693      -0.27863456       1.83911020 
O       2.63605132       5.56875308       4.72067542      -0.43973184       0.27825764      -0.43281238 
O       4.18802167       1.95434166       7.78299976       0.26393721       0.13067849      -0.12654962 
O       5.56289738       7.78730355       8.17774970      -0.47780087      -1.25633988       0.06479308 
O       5.44732716       1.25274717       1.94340985      -0.83906485      -0.50334345       1.03747686 
O       1.86366922       2.56076733       1.66234763       1.89677426       0.91602528       4.77708182 
O      10.58248570       8.13532466       3.51993544       2.20358338      -0.42192318       0.58756548 
O       3.52512576       1.35934026       5.35463977       0.11765531      -0.75069726       1.18712193 
O       8.17843397       6.33003955       8.95248384      -2.60759780      -1.87639457      -1.05907762 
O       1.27321000       7.76852095       5.88561144       0.64250710       0.24343221      -1.20763305 
O       0.65843307      10.48974142       8.05397739      -1.87086522      -0.06752009       1.73577570 
O       7.73333429       5.98878912       6.01343946       0.82240062       0.12744178       2.65072175 
O       5.92128664       2.92830504       5.92617581       0.72469747      -0.40707263      -1.21581619 
O       5.37304076      10.51667291      10.71331909       1.13395973       0.41647799      -2.71580169 
O       4.67201655       5.18634965       5.97982632      -2.51935293       1.49680388       1.16041055 
O       9.69136484       3.00181662       8.47220443       0.55891855      -0.26420469       2.98372456 
O       8.24806733       4.53964340       3.93656345      -1.55929330       4.49533537       0.26133754 
O       4.05894375       2.72648276       3.55372478      -1.20197114       0.24599971       0.77724316 
O       3.32359291       5.04094778       2.06417386      -1.03572375       1.90685924      -0.49307549 
O       0.06548547       0.83815972       0.21740539      -1.38992829       1.38305069       1.43691581 
O      10.09474461       0.02202333       5.80026664       1.29131031      -3.22704331      -2.67368644 
O       2.24503369       5.19535674       9.51605901       1.62829509      -1.31852661       1.55985477 
O       8.39664686       6.92572318       1.65251622       0.04138985       1.75935876      -0.22034081 
O       1.82519101      10.51984915       5.70931334       4.36041990       1.47713474      -0.32183151 
O       8.23864651      10.23342465       2.97441668      -0.49365693      -0.74916331      -1.03282541 
O       0.69683442       6.47110170       0.92844916      -0.39853952       0.96773551      -1.51518228 
O       8.61069590       8.64313602       7.50400948       0.70912208      -1.89608231      -1.52129080 
O       2.76466242       7.71176856       2.64833323       0.23727872      -1.61998203      -0.19731690 
O       8.30468902       1.12499275       0.55629229      -0.87590921      -1.13913209       1.72831754 
O       1.69063866       8.60023439      10.30637952       0.67413195       0.70336055      -0.34460656 
O       1.98523464       2.18610970       8.96704613      -1.52885954       2.90342787       2.31973493 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011739610674513722 -0.0006468825075493201 -0.00523174039065344 -0.0006468825075493201 0.0011060757453289635 -0.006934361309337114 -0.00523174039065344 -0.006934361309337114 -0.002101496243478327" pbc="T T T" energy=-923.81879357 free_energy=-923.81881602 config_type=amorph 
Hf       8.98833990       2.82426255      10.23645998      -1.11830518       0.73097057       2.91883578 
Hf       4.12055241       7.17523474       1.67796125       0.11244242      -0.17894008      -0.11498209 
Hf       7.10418669       8.07091755       3.00118836       1.53178841      -0.84476711       0.89617873 
Hf       7.22095197       9.94572529       9.82632299       1.66687335      -1.51840244      -1.68253086 
Hf       3.57540776       3.85634589       8.96414911       0.36655243      -1.14343950      -0.30160499 
Hf       0.19754802       3.78652938       7.04950449       2.99920092      -2.77326660       1.60822577 
Hf       1.83307555       1.57012707      10.62679735       1.10540348       2.39942385       1.54526997 
Hf       3.23403389       6.80688726       6.47688879       1.55256012      -1.56133427      -2.43354667 
Hf       4.53766743      10.58456881       1.80457760       1.62291919       0.43996218      -3.93886197 
Hf       1.26924895       4.89182120       1.42261255      -3.54474829      -1.77930347       1.75861582 
Hf       0.69265515       8.72174607       1.93103034       2.07759607      -2.70682628       1.77340657 
Hf       2.00977208       1.25220413       3.75639190      -0.17621164      -1.49544907      -0.25809831 
Hf       8.99476090       7.17248710       0.44201246       0.15110168      -0.86697359      -3.16411667 
Hf       9.04940532       6.55056843       7.85105102      -1.82590280      -3.80857082      -1.39249019 
Hf       4.23587727       3.57120331       1.74971019       2.73736304       0.97509850      -1.23399182 
Hf       9.80648049       2.95031436       4.26923453       3.54062450       1.47613931      -3.20099807 
Hf       9.61315234       0.21099992       2.21695187      -0.98075487       0.50026026      -0.08733207 
Hf       5.95018107       6.56560188       9.58470205      -4.05527925      -2.24911164      -0.56185482 
Hf       6.92512173       2.16073360       3.71479271      -4.46505145      -2.22532889      -0.47644372 
Hf       3.24381308       4.13658596       4.55861359      -2.38140664       0.23641531       1.74449634 
Hf       4.28413109      10.01364508       5.13782507      -1.65540542      -2.40181309       1.40407918 
Hf       0.84950364       6.57951301       9.48788751       3.93154337      -0.85801567      -0.97524819 
Hf       0.57298872       5.77075959       4.77900068       0.20661047       1.91504865      -3.58063416 
Hf       3.58162922       8.77864405       8.88941293      -2.40851387       1.52840808      -0.07773513 
Hf       0.26374513       9.05971007       5.48624418       1.21260883      -0.68053725      -1.44551711 
Hf       7.31971610       4.80072025       1.79596883       0.68282963       5.87723042      -0.75363282 
Hf       9.71793644       0.91512808       7.19064448      -0.07178132       0.06672681       0.89047397 
Hf       0.32773394       9.91817054       9.70966226      -3.45263643       0.86525653      -2.10432165 
Hf       6.48759360       4.83941645       5.25403516      -0.53041289       0.73239509      -2.26602851 
Hf       7.69711453       9.66782965       6.31955741      -2.53116715      -2.20179502      -0.53883061 
Hf       6.27824623       2.75090925       7.60860413      -0.56297852      -0.68037602       2.61038286 
Hf       2.48100086       1.01518173       7.19628501       0.41866829      -0.15423672      -0.51358473 
O       9.90780673       8.93328273       0.76017673       1.32640661       1.88442826      -0.15483257 
O       3.85951584      10.47727039       7.21538352       0.76149601      -3.09104294      -0.53098447 
O      10.60079441       5.16538026       8.59154170      -0.63307369      -0.03702200      -0.65930289 
O       3.59983740      10.50827008       3.39323268      -2.83935133       0.70201799       3.03274035 
O       2.26029307       7.87638695       7.75321446      -1.24724990       0.93068718       3.38430753 
O       4.16270799       7.62166791      10.46874999       1.81973570       0.20282105       1.04900201 
O       6.94320290       8.58130968       7.98832538       0.78240186       2.39674113       0.90477885 
O       7.65027454       0.85264287       7.03038850       0.12183997      -0.34543148       0.60864203 
O       3.76449281       8.00956977       4.96931153       1.72794019       2.66963938       1.10865707 
O       6.46488991       3.25300419       2.05695503      -3.12646254      -5.43091505      -0.65225386 
O       5.30982818       8.79133557       2.34543236      -0.42658006      -0.81803655      -0.27139037 
O      10.10141704       5.16870328       6.20541915      -2.16652379       1.82589391      -1.04334780 
O       5.92510352       6.17548696       2.63398188      -0.10244598       0.59933559       1.13563985 
O       3.57873068       2.89381969      10.83081848      -0.34264392      -0.16168824      -1.21014318 
O      10.76190153       4.62576779       2.98994247      -0.65999215       0.89033070      -1.21081609 
O       6.13843170      10.46694783       5.39155694       0.57771517      -1.12523128      -0.52880976 
O       8.83484722       0.03450467       9.09404972       1.87139433      -0.75107044       0.15130807 
O       6.97679541       3.00010121       9.78182190       2.22013233      -0.98063844      -2.73518493 
O       0.89308000       1.52638602       6.22379658      -3.56310380       0.79063594      -0.04788062 
O       7.42482425       8.42862319       0.22126049      -1.00798911       0.07196469      -0.06020536 
O       0.92165623       3.79702358       4.93747514      -0.46349429      -2.51020277       0.82642243 
O       8.59533502       4.94938153       0.34361853       1.42031716      -1.70468356      -1.10091800 
O       9.26277486       2.65679360       6.10806765       1.24146525      -0.11202427       1.25132452 
O       5.52256013       5.13020749       0.50079891       0.86109181       1.47238557      -2.17913609 
O       0.29223048       3.33621191       0.10971777       1.95806914       0.30801924       1.25708501 
O       7.67444004       7.75980948       4.83405211      -1.48622921       1.21705370       0.53997273 
O       0.15519420       1.79024416       3.05263102       0.05265086      -0.34434196       0.60986056 
O       8.68864307       1.30586431       3.65226462      -0.70135614       0.50812352       0.89180769 
O       0.31573136      10.08517505       3.21930821      -2.03446757       0.91454483      -2.85515209 
O       5.26785683       4.56792542       8.18304565      -0.20963659       0.82030854       1.28813195 
O       9.97769206       7.45480898       9.29783656      -0.04573761       2.55405053       0.75674280 
O       2.18872033       0.00910045       9.48510339       1.49574665       0.66090265      -1.92230282 
O       2.81188445       0.71783735       1.28898332       0.05828191       0.66380924       0.20565118 
O       2.15276427       4.85404866       6.60237944       1.41187028       1.52324017      -0.06930448 
O       2.25737977       5.76768181       3.47585275       0.35429762      -1.79196600       1.92759012 
O       4.41933960       2.18198341       7.75325615       1.87827509      -0.38808717       0.60655261 
O       4.58850680       7.39513623       8.04848103       1.86826137      -1.16523469      -0.51437555 
O       5.60797712       0.86651068       2.89484964       1.56489975       1.19938257      -0.39006707 
O       2.57081479       3.03862490       2.73166070      -0.23202559       1.18162719      -0.66061631 
O       0.45131463       7.70043593       3.66054933      -1.85221176      -0.12629539      -0.47576408 
O       3.35436299       2.03904073       5.09531340      -2.18151804      -1.40831388       1.06628104 
O       7.77781324       6.63104849       9.53003625       1.01930020      -1.30968817      -0.40519383 
O       1.48759656       7.25309353       5.67907902      -1.51213496       1.29518243       0.98469777 
O       0.57968547      10.09018580       7.71819878      -1.44227868       1.07744195      -1.60054065 
O       7.15956087       5.40325142       6.85522749       2.23407148       0.23258782       1.44209645 
O       6.21690019       2.72515807       5.59704129       1.54634887       1.84387160       0.59836328 
O       5.84274444      10.74349717      10.74919741      -2.46544650       0.37058105       0.72418420 
O       4.68468582       5.54610443       5.30765691      -1.35231817      -0.76630212       0.83103587 
O      10.10950481       2.42189090       8.66767737       0.38736233      -0.56156020      -2.25917278 
O       8.01105655       3.92148450       3.80013013       0.05016361       1.47845851       0.60720501 
O       4.81832015       3.38076262       3.79487749       1.53611588       1.64202130      -2.00466789 
O       3.18138151       5.35831313       1.47653806       1.49416539      -0.81745072      -1.13438569 
O       0.43251727       0.41110809       0.27033939      -2.76584686      -0.86621932       2.22018029 
O       9.44787562      10.29163343       5.62508479       1.11752427       0.37314394       0.90581031 
O       2.38521724       5.14449609       9.77523165      -1.19850023       1.62615756      -0.15533189 
O       8.40568587       6.64434080       2.14618901      -0.42968867       0.66346342       2.26958253 
O       1.60950016      10.40517654       4.81397565       1.96017248      -0.39619749       4.03205923 
O       8.21129846       9.63087449       2.73994943       0.89454063       1.39902863      -0.50673907 
O       0.48950883       6.71501442       0.55568010      -0.64105967      -2.49970587       2.50955866 
O       9.63621810       7.74399317       6.61477665       1.28584656       3.20195895      -1.68486928 
O       2.66567714       8.53240351       1.62739243       0.60268178      -0.48552488       0.48530705 
O       8.77266686       1.50938431       0.92501540       0.35030595       0.37032788      -1.20699408 
O       1.40002219       8.47583469      10.03399468       3.21754555      -1.19892733       0.61602928 
O       2.18617147       2.71468233       8.00850117      -2.09634164       2.06699249       3.23650386 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.030135276456531853 -0.01010755649518463 0.01532213736694166 -0.01010755649518463 -0.03701250122498355 0.0033237471080691484 0.01532213736694166 0.0033237471080691484 -0.012798117787888771" pbc="T T T" energy=-919.45449368 free_energy=-919.45656813 config_type=amorph 
Hf       9.35629786       3.24621071      10.57999308      -0.72846013      -3.31298405       0.18052703 
Hf       4.38180861       7.27720562       1.55305630       1.71246321      -3.10069992       1.36950585 
Hf       7.28385558       8.46033919       2.97699344       1.66398815      -0.98874098      -1.30648365 
Hf       6.78499388       9.83646978       9.39925052       2.15815272       0.37260132       1.09929085 
Hf       3.85662447       3.80769245       8.86003235       1.00191541       0.33926420       3.10731842 
Hf       0.55191218       3.45526952       7.05427858      -1.71468770      -0.38664441       2.43553410 
Hf       1.51082744       1.77926338      10.44925869      -0.08818133      -1.62132420       0.31676377 
Hf       3.48827373       6.93749560       6.69514956      -1.75566679      -1.76056068       0.59716796 
Hf       4.48803692      10.42159256       1.14719303       0.92120127       3.82424282       1.96149154 
Hf       1.43813541       4.39013565       1.75891943      -0.65028430      -1.66445615       3.38841162 
Hf       0.71095833       8.13867276       2.61465788      -0.79870096      -4.80359023      -2.74545565 
Hf       2.05148527       0.63803505       2.97973239       0.89488728       2.99951869       1.41214491 
Hf       9.17238717       6.96684556      10.75406964      -2.56493934       0.27870656       1.91338574 
Hf       8.91425945       5.90667202       6.94672220      -0.50030864      -0.93491077       2.40402815 
Hf       4.90982474       3.40223401       1.45301753      -7.38571946      -3.75457708      -0.57055021 
Hf       9.49128294       3.33417482       4.39000169       1.33509805      -2.92966436      -3.29065667 
Hf       9.63151414       0.54255345       2.06086907       1.03649100      -0.36559811       0.98428269 
Hf       6.33401645       6.53246099       9.10768118       1.98570857      -2.06787225       4.24693120 
Hf       6.34016452       1.91451162       4.24263710       0.82513060      -3.55001958       0.64042173 
Hf       3.06471350       3.69963441       4.79584162      -2.18028846       1.69164375      -2.32839628 
Hf       3.92643522       9.90539629       5.22644762       2.45889038       1.00062663      -0.77525935 
Hf       1.35500911       6.64561013       9.66945214      -1.09540557       0.85072845      -0.20610305 
Hf       0.52477855       5.92939515       5.16579703       1.78585531      -2.58262096      -3.42886595 
Hf       3.12009604       9.29458291       9.44208961      -0.46701386       3.68795813       0.61203417 
Hf       0.08606392       9.31786188       5.93012231       3.21038018      -1.21964003       0.60321737 
Hf       7.49080966       5.26957387       1.83633061      -1.17039275       0.97276378      -2.14696722 
Hf       9.51097551       1.04776514       7.55765087       0.12583876       1.46740335       1.13818373 
Hf      10.47233368       9.52910814      10.07126316       3.44480862       1.00468849       0.63798773 
Hf       6.02210816       5.75014140       4.65269635       2.51031468       0.35060049      -0.32925901 
Hf       7.47894735       9.28613612       6.44500724       0.72244310       0.53437761      -1.90634694 
Hf       6.72811469       3.33620258       7.55242451       4.77506131      -0.42227675       3.29573132 
Hf       2.64157656       1.20224847       7.15495929      -1.35307190      -4.98936444       1.54973878 
O      10.24778697       8.18619084       0.99231236       1.67516997       0.83490265       0.95108995 
O       4.06911117      10.41862942       7.27286156      -1.29408450      -0.18525749      -0.00189375 
O      10.61428290       5.09450384       8.09381644      -0.78659686       0.95940931      -1.83419361 
O       3.78414761      10.10903668       2.96472173      -1.86632253       0.20881730       5.22012505 
O       2.31949466       7.97839670       8.31410865       1.11237140      -1.02374020      -1.80994831 
O       3.85619477       8.66913071       0.38306209      -1.04106282       1.00318884      -3.15979321 
O       6.73520704       8.24411312       7.83013125       1.16025696       3.05650725       0.67171512 
O       7.69200509      10.76457523       7.86508710      -0.29178112      -1.02503045       0.28942241 
O       4.41858606       8.03494586       5.39098177      -0.46833611       0.10699130      -0.07293433 
O       6.61892769       3.60881290       1.09154972       3.43710700       0.97726828      -0.90060101 
O       5.79150632       9.20180476       1.89615330       1.73475216      -2.85934903       1.04946134 
O       9.36127919       5.11705794       4.95430467       1.17277869       6.03124695       5.09436339 
O       6.07345539       6.43658661       2.68546037      -3.68233588       1.24544333       1.08955988 
O       4.04720085       2.56037194      10.48597545      -1.22675090       1.85231404       0.54766412 
O      10.42356885       4.12930611       2.77389467      -0.00890784       0.71755691       0.48234881 
O       5.94014946      10.60944508       5.18546790       0.28107773      -0.67459582      -1.07621499 
O       8.87808507      10.23055977      10.59652004      -4.62444968       1.48235434      -0.71081038 
O       8.08665906       2.60779894       9.08301271      -0.15378016       0.65059655       0.10989924 
O       0.56563137       1.49101208       6.64095785       1.12667063      -1.94632249       0.78969916 
O       7.40068600       8.22844978      10.25277503       0.50855697      -1.71340221       0.46331764 
O       0.43726660       3.37190079       5.09847608       2.36681016       1.44507378      -0.26667734 
O       8.92950102       5.08091765       0.56265813       2.00203073      -1.55791958      -2.37709277 
O       9.38286902       2.94219152       6.68459120      -1.12511885       0.51326490      -0.81676582 
O       5.51341527       6.65741707       0.05453781       0.49153917      -0.90166617      -1.02654256 
O       0.46994545       2.85865290       0.78192333      -0.65372485       2.87477386      -1.19686457 
O       7.18888868       7.51358175       4.81324827      -1.08844420       0.98448129       0.65254067 
O       0.14753873       1.04203038       3.43491090      -0.91058219       0.55311244      -0.00910817 
O       8.31345325       1.78629006       3.62172274      -2.69882805       0.48792594       1.71223986 
O       1.15239703       9.79474021       2.87067892      -0.36376598       1.82933363       0.34221671 
O       5.73531541       4.36448424       9.32392278       0.73956899       2.38346060      -0.97578477 
O      10.39373415       7.49028606       9.33370154       0.94731822       0.76803186      -0.80646154 
O       2.33067444       0.50372111       9.35034781       1.64462490      -5.22821512      -2.44814299 
O       2.89644455       0.73921234       1.25215550      -2.44692849       0.87430247      -2.72576726 
O       1.91707166       4.90826381       6.36609017       1.00193349       0.10090168      -0.98888663 
O       2.04239860       4.98896144       3.55257097      -1.40059392       3.37858508       3.51972634 
O       4.95033167       2.97520659       7.49608998      -5.90330993      -1.53021682      -1.57258141 
O       5.04752749       7.04020395       7.91968321      -6.10473121      -0.87353665      -2.56845286 
O       5.24923915       1.34766749       2.27627733       1.38107999       2.19886304       1.23451011 
O       2.23754715       2.82888681       2.78997848       2.53725034      -2.41518425       1.41962059 
O      10.54500096       7.94881886       4.45714004       0.37168122      -0.22244874      -1.40493509 
O       3.16091694       1.83809879       5.48216317       1.35019111       1.30576638      -2.31504335 
O       8.38164022       6.09835218       9.11217615      -1.95429687      -1.33672521      -3.25799478 
O       1.47346006       7.44130269       5.89047802       1.53754912       0.83748028       1.46465067 
O      10.64145290      10.16957589       8.23318695       0.51267364      -0.37019829      -1.49138202 
O       6.95456527       5.09317123       6.58918038       0.87926326       1.41084756      -0.74761502 
O       6.84702953       1.83915273       6.38338424       0.41144046       0.59289934      -3.74008582 
O       5.00776064      10.56388202      10.07730929       1.48511262      -0.80874020      -2.13496352 
O       4.21022564       5.40673424       5.30622702      -0.87247649       1.69891698       1.92521936 
O      10.60613237       2.05494595       8.93017629       0.56759251       1.29583388       3.30155894 
O       7.61640225       4.82581582       3.55283619      -1.03125827      -3.67205464       5.88021340 
O       5.02764038       3.52362856       4.29250037       2.43433251      -0.81852666      -1.90252048 
O       3.57483607       5.02430465       1.44036238       1.25208654      -0.17390860      -0.29297109 
O       0.14753265       0.45252620       0.60798410       1.92656446      -1.35881933      -2.01664410 
O       9.49679765      10.42449555       6.11224290      -3.32686340       0.51528010      -2.26379739 
O       2.66944289       5.44131469       8.83712717       0.90237630      -0.29273441       0.12715259 
O       8.43109150       6.96084839       2.20226017      -0.00657746       2.18689052      -1.06393084 
O       2.04149915      10.55133738       5.59421668      -1.66083593      -2.34586437      -0.40868672 
O       8.56578313       9.79733629       2.39363200      -1.02823693      -0.85034224       1.97604679 
O       0.86659189       5.70965857       0.50656798      -0.83328239       2.55632007      -2.63119874 
O       9.00871198       7.81120003       6.64456944       1.33729141       0.49050195       0.02705625 
O       2.69699384       7.63179212       2.32862193      -3.40087622      -0.49037153       1.57065034 
O       8.90425434       2.04801861       1.26624966      -1.30701267       3.50955395      -3.85958514 
O       1.49343848       8.67394279      10.55287041       1.57576362      -0.30993630      -0.89246107 
O       2.07733470       2.71351408       8.29382267       1.53254685       2.11184873       0.95955491 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009641472687503592 -0.003885706175697056 0.008739079286407722 -0.003885706175697056 -0.0021982028974068027 -0.012700794934730334 0.008739079286407722 -0.012700794934730334 -0.026292462668045944" pbc="T T T" energy=-920.76422561 free_energy=-920.76620462 config_type=amorph 
Hf       9.28558071       3.19877644      10.42417257      -0.95897516      -2.12363838      -1.01331305 
Hf       4.22313017       6.73166406       1.64843629       3.31994945      -0.84725403      -2.15634377 
Hf       7.13267888       8.24293510       2.73880473      -4.74073385       7.45861523       5.96871855 
Hf       7.13635116       9.98320612       9.11979135       2.37389250      -2.09082646       0.85580908 
Hf       4.06834927       3.79891182       9.08997489      -0.67261671      -0.46437925       3.11785259 
Hf       0.46686713       3.42981297       7.47805474      -0.26872299       3.06136334       0.49146141 
Hf       1.68286551       2.19580747      10.73744670      -1.57021324       0.93499714      -0.58150035 
Hf       3.18423565       6.55559579       7.11919398      -1.39766452      -1.58152839      -2.91589206 
Hf       4.51167187      10.13072943       1.51188952       1.57304826       3.47854040       3.30320061 
Hf       1.06495923       4.87400873       1.78931909       1.64563310       0.57192177      -4.47322714 
Hf       0.96784125       8.49969687       1.75102870      -3.23708605      -2.72438493      -3.04868777 
Hf       1.60246122       0.62565196       3.64709732      -0.96958927      -0.70848468      -2.62290347 
Hf       8.97454711       7.11686323      10.81861365       2.02160891       1.67999665      -1.76678373 
Hf       9.28171552       6.39525785       7.46839312       0.15215488       0.02281164       0.59094507 
Hf       3.87931014       2.55693482       1.63253150       3.09253356       0.17220215      -2.56133900 
Hf       9.74313601       3.53062396       4.52950497      -3.47192529      -4.21838391      -0.79815339 
Hf       9.22681120       0.70399180       2.26546472       0.15205640      -0.32488933       0.77138399 
Hf       6.11698495       6.39927112       8.94106652       0.85662945       1.57218883       1.33633439 
Hf       6.33529968       1.32692837       3.87626677       0.03701589      -1.10486641      -1.16643153 
Hf       3.16715207       3.59763497       4.78997278       3.05561293       2.14442665      -1.82041663 
Hf       3.52521283       9.33379555       5.33255641       3.75739537      -0.62880378       1.36756637 
Hf       1.35034706       7.27974525       9.46577353       5.07130169      -0.46596007       5.37373782 
Hf       0.55796037       5.80685537       4.53772942       2.11796993       5.11223389       1.26886510 
Hf       3.70720531       9.76784118       9.34767802       1.66090204       1.60077967      -5.69489538 
Hf       0.26778358       9.29403032       6.40424702      -2.10671639      -2.70824869      -2.06783963 
Hf       7.29006108       4.65350102       1.92141377      -1.93349612      -0.27694580      -2.44768363 
Hf       9.76556417       1.02343104       7.39012385      -3.63454437      -2.98517631       1.83364854 
Hf      10.77550032      10.47959061      10.03402388       1.52920765      -1.45275160       4.50533731 
Hf       6.59705288       5.83279252       4.99111241      -3.90879453      -3.13721001       1.18003774 
Hf       7.60840448       9.41344727       5.99748789       0.16456577       0.67773529       0.51327663 
Hf       7.06924136       3.04942014       7.15333713      -1.57673793       2.56260357       0.94098243 
Hf       3.06285055       1.36830609       7.29525693       0.27136152      -0.81220758       0.34133841 
O       9.89548931       8.99752569       0.52752770      -0.52940585      -0.70158902      -0.30130152 
O       4.13863401      10.42418136       7.25178208      -2.00638255       1.64244013      -1.04114761 
O       9.92581114       4.44352345       8.45501990       1.59413468       0.19911582       0.00216336 
O       3.57955587       9.93374041       3.58481990       0.23104294       1.19026334      -2.91667622 
O       2.99274656       8.05308652       8.43322347      -0.32522997       1.89170934      -0.06664254 
O       3.55863468       9.33066425       0.16780180      -2.79649872      -4.06716116       4.56477914 
O       6.79865748       8.48124127       7.57817852      -0.74924732      -0.31838137       0.93688703 
O       7.51492208       0.03595834       7.40792839       0.75660799       1.36866131      -1.65883267 
O       4.03473265       7.48280374       5.32372085      -0.88164971       0.31147889       0.62538038 
O       5.57950739       4.17469179       1.04634209       1.90267785       0.15828728       2.08400029 
O       5.23853955       8.41444272       2.22521182      -1.94150914       0.14836989      -0.79432712 
O       9.86980446       5.46824390       5.93874020       2.02810897      -2.78683269      -5.30732006 
O       6.13791222       6.31120507       2.70044985      -0.98889884      -2.08665018       0.43943675 
O       4.27152805       2.10391813      10.32059310      -2.56550181       2.11619914      -0.04690024 
O      10.29293793       4.81780295       2.95598855      -0.26121897      -1.34089933       2.68840053 
O       6.29799667      10.30948780       4.69489460      -0.16903081       0.53318970      -0.15027127 
O       9.12741838      10.82526056       9.33567707      -5.02929573      -0.59798263      -2.36964952 
O       7.78535830       2.63504950       8.84243886       1.53867867      -1.14363783       2.26396278 
O       0.80276863       1.49407445       6.94968469       1.22905056      -0.87842350      -0.21074541 
O       7.43733795       8.36825009      10.31229851       0.56082598       0.26497761      -1.79833488 
O       0.69846559       3.59102301       5.27719645      -1.29679645       0.20448623      -1.01058059 
O       8.65509126       4.92044346       0.15337120      -1.83060428       1.75475730       2.46636457 
O       9.23406857       2.81541146       6.79459547       0.59643164      -0.54890529      -3.11606690 
O       5.08444977       7.06744148      10.61293128      -1.27004272      -1.57526794       0.67338041 
O       0.22743092       3.78634265       0.12889966       2.34775796      -0.66272329       1.06388927 
O       6.95065905       7.75986083       4.66583971       1.79615745       0.71682312       1.51813081 
O      10.50764269       1.29637845       3.84622222       2.37549926       1.60736533       0.00339224 
O       8.21310322       1.82465362       3.68146248      -0.38893960       0.17535154       0.57781881 
O       0.55398813      10.07202756       2.56996669      -0.02590950       4.57303740       3.03773260 
O       5.84180178       4.48138317       9.19181322       1.31288794       0.89763357      -0.16840064 
O      10.57629388       7.03996609       8.90128990      -4.93938910       0.16220055      -2.74593534 
O       2.43003067       0.38067575       9.49361413      -1.36369311       2.00114889      -1.17158946 
O       2.86514457       0.69722003       1.64461908      -0.80590466      -0.05559836       0.15136720 
O       2.56784395       4.65838910       6.22387811      -1.01075141       2.23771449       2.88421780 
O       2.24238637       5.05043222       3.52018535      -0.78591655      -0.54556791       0.66651393 
O       4.63830298       2.63078099       7.54166412      -1.42337902      -1.15251560      -0.73337521 
O       4.95174984       6.09255727       7.38140966       1.92541943       0.59949649       1.05140456 
O       5.43955325       0.93541221       1.87079902       0.58679168       1.52528989       1.09765414 
O       1.78172734       2.77980422       2.02865108      -1.00896529      -0.80875240       0.97721147 
O       0.31798004       7.33197565       3.19190827      -1.58557068      -2.61566147       3.72234460 
O       2.77317478       1.62082943       5.09959418       0.65615407      -0.08644825       1.82821065 
O       8.19729278       6.36992898       8.98373735      -3.23403939      -0.05268450       1.76618540 
O       1.24282456       7.42985868       6.12673299      -0.22672550      -0.55119522       0.14913938 
O       0.39490660       9.79865653       8.23256477       0.55825136      -0.07751970      -2.19701827 
O       7.40162779       5.02709419       6.68111912       1.05807310       1.00891719       0.39381973 
O       6.72713718       2.05270661       5.57056522      -0.93496049       0.05628561       1.08172519 
O       5.60251441      10.38444719      10.17348157      -2.36615562       0.27420567      -0.31082539 
O       5.10030082       4.55547317       5.38272638      -1.14543396       0.16684303      -1.54637010 
O      10.67273377       1.78082876       9.33230964       1.49586305       1.58349394      -1.92269281 
O       7.46327912       4.44352963       3.91245092       2.71131102      -0.61053737      -0.47327146 
O       4.56367885       2.96488979       3.34559713       0.49337430      -0.49568972       2.43649550 
O       3.00872897       4.18910947       0.67116737      -1.00563422       1.18911744      -1.21383055 
O      10.34665412       0.94692940       0.65796462       2.72325631       0.59631065      -0.16076947 
O       9.53878496      10.49846375       5.71806335       1.18740612       0.79746961       1.80660678 
O       2.58253032       5.58273988       8.85650784      -0.37826863       1.73716204       0.37186898 
O       7.98061845       7.39642781       1.56474524       5.64721514      -7.18629973      -4.55869063 
O       1.72834932       9.98269696       5.17542967      -2.72843373       1.27074290       0.77902957 
O       7.77675094      10.16445668       2.16115613       0.16413443      -0.27155448       1.18931160 
O       0.29326347       6.56961603       0.59217724       0.34753233      -0.81589418      -0.80699997 
O       9.30499482       8.19300180       6.36592124       0.60666155      -1.30379569       0.80773080 
O       2.27527442       7.11397391       1.98762575       5.90958560      -1.95030912      -1.10237639 
O       8.69577244       2.49058258       1.51129796      -1.25411602       2.64937866      -2.29672164 
O       1.20276176       8.98109231      10.68734361       2.30703098      -1.05156830      -3.05633061 
O       2.07902362       3.33752651       8.63890084       0.12659481      -3.62010814       0.53039634 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.028209258294776888 0.0018726612104112911 0.005778764469410987 0.0018726612104112911 -0.009259230379103034 -0.005684795553596434 0.005778764469410987 -0.005684795553596434 0.005068798417458471" pbc="T T T" energy=-913.79604206 free_energy=-913.80006593 config_type=amorph 
Hf       9.13817519       2.90355210      10.13270529      -1.02613247      -2.24080231       1.78054588 
Hf       4.48678149       6.62462782       1.66437604      -2.54953724       2.97683992       2.89089256 
Hf       7.51835356       8.14827380       2.30939824      -2.51907695       4.41465700       0.75735660 
Hf       6.78864401       9.80682866       9.59428333       3.17884998       1.54585552       1.15387244 
Hf       3.98912811       4.83220414      10.24056010      -3.45612926      -3.31348679       1.18808060 
Hf       0.37771533       3.64303194       7.17189456       1.56343654      -3.16432304      -5.17441820 
Hf       1.82738313       1.61272852      10.69310139      -2.32990695      -0.52978066       0.87971197 
Hf       3.16334334       6.64829057       6.28109049       1.01636693       4.08939939       1.41571677 
Hf       4.35603701      10.23111724       1.80747115       0.32761682      -3.06512057      -2.48405696 
Hf       0.95147974       4.63922111       1.36214836       4.15922385       1.63724072      -5.69256624 
Hf       1.20926070       8.24579662       2.51435595      -0.67376107       2.51384559       0.52310839 
Hf       1.67670322       1.02046921       4.12015094       1.57080421      -0.64092925      -1.97616634 
Hf       9.28866663       7.64237382       0.22117049       2.73356578       4.23909730      -5.03032164 
Hf       9.05070775       6.31193266       7.68809995       2.12983599       2.92093071       0.03209394 
Hf       4.19233077       2.31269717       1.68583429      -0.81985577       2.69654414       0.09951094 
Hf       9.73175051       3.17346896       3.98028321       0.98264173       3.72436228       3.93523262 
Hf       9.59958591       0.41052771       2.56571208      -1.58392295      -6.25795193      -5.12391930 
Hf       6.18962097       6.49588558       8.80513444      -1.31779293       3.12947388       0.94509591 
Hf       6.44417173       1.66709859       4.21097375       3.22735187      -5.85367693       0.60316682 
Hf       4.09935015       3.63447343       4.98588680      -4.02947048      -1.61358740       1.42433187 
Hf       4.38352771      10.20071932       5.35753951      -2.95537607      -2.72008519       1.57317529 
Hf       1.07729402       7.08725282       9.72502021      -1.10903727       0.58625293       1.08498896 
Hf       0.49654017       6.07020825       4.54534104      -0.97945966       2.29105394       0.99931378 
Hf       3.67276632       9.34640815       8.85975096       1.67908554       2.45724575       2.87509990 
Hf       0.33219167       9.50392963       5.88294935      -0.06262826      -6.61966787      -1.15953946 
Hf       7.28823710       4.72473190       1.45839946       0.24962448      -1.51746840      -0.84387385 
Hf       8.44983425       1.27243735       7.01704082      -0.70174435      -2.04522701       2.36454659 
Hf      10.57015906      10.36502971       9.52516022       0.01456379      -3.22132800       1.67039822 
Hf       6.91272127       5.31484773       4.66069847       7.59577040       1.21437290      -1.52413244 
Hf       7.98662593       8.90585391       5.40816804      -2.95857488       4.01811369      -3.65418981 
Hf       5.96860073       3.36909790       7.57260399      -0.10628006      -1.25362891       2.87578081 
Hf       2.78692230       1.40594065       7.46504599      -0.51468363       0.26387972       0.75110271 
O       9.41432099       8.94567809       1.75014510      -0.23287009      -0.48427632       0.24307070 
O       3.85017155      10.52745436       7.42658939       1.32664679       0.34590833      -2.60171821 
O       9.93906491       4.64105529       8.01569883      -0.38628613      -0.59733498       0.53305765 
O       3.52734936      10.56978093       3.55027398      -0.50927113       1.24441692       4.12366271 
O       2.52157456       8.00292969       8.39745208       1.99808712      -3.99943808      -0.58569294 
O       3.11860492       8.53445742       2.02412875      -0.30599528      -0.36748044      -2.10761866 
O       5.69186955       8.56395264       8.74831550      -3.18551649      -4.55350187      -2.08129291 
O       6.84698936      10.80221989       7.94764659       2.21013543       2.58134845      -3.67572433 
O       4.29926833       8.16552066       5.53398634      -0.20748070       1.38730329       0.33440861 
O       5.25298036       4.21238465       1.08490400       0.38137358      -0.75989381      -1.07446887 
O       5.38372321       8.56551509       2.12128701       1.86958119      -0.57869225       0.70847121 
O       9.12252987       5.35025402       5.06928050      -0.42732879       0.68104254       0.72603294 
O       6.17995772       6.12578013       2.59166910       1.17866536      -1.62338463       0.38579639 
O       3.66183049       1.66604705      10.19251408       1.44811577       1.11916495       0.45538756 
O      10.51089808       4.36731895       2.62319478      -0.88702007       0.92924979       1.81079936 
O       6.17824665      10.55775566       5.25137850       3.81732075       0.24140599      -0.60033945 
O       8.75110439       9.47596103       9.68603610       4.47272955       0.73035294      -0.03748946 
O       7.80768333       2.60560585       8.42692417      -2.31572726       0.89919206      -0.94278223 
O       1.91198014       2.24604431       5.82996227       0.24852474      -1.19215541      -0.32187886 
O       7.21113337       8.89066651       0.45254118       0.38910034      -2.64933804       2.48372077 
O       0.62225001       4.18717335       5.06456145      -2.41716084      -1.89379899       0.69757285 
O       7.86054187       4.33303596      10.38012527      -0.29496433       1.33173870       2.24276930 
O       9.66775789       2.54995961       6.18901399       2.00241678       1.54691552      -0.73087315 
O       4.56767138       6.64388234      10.55594406       1.53840104       0.89639804      -0.54121154 
O       0.11609903       3.04041848       0.19777264       0.67457139       1.04731044      -0.32502300 
O       7.15141295       7.54282184       4.31403505       0.57880615      -1.22417142       1.95213211 
O      10.85056327       1.68957843       3.11462910       3.86825772       3.08996476       1.70154567 
O       8.59216474       1.59166348       3.73444642      -4.00201857      -0.09534489       1.98548547 
O       0.40644137      10.16512630       3.52814100       1.04454514       2.08033083       1.17856332 
O       5.56968564       4.63710075       9.03945937       2.48458806      -3.29419364       1.76135053 
O      10.26452086       5.73936060      10.11428443       1.29282918       3.71180819       0.20509953 
O       2.02254600      10.69638457       9.15382778      -0.18805731       1.24658555       0.85903177 
O       2.50743328       0.66968092       1.71194004       1.36632100       2.11599742      -1.33644621 
O       2.60021252       4.93809927       5.83362249       1.33234425      -2.44238182      -0.49637750 
O       2.08119131       7.01446612       3.84524939       1.17367646      -1.37777067      -0.48477265 
O       3.89623358       3.02743839       7.70642810       1.85468283       0.82358499      -0.10545845 
O       4.46853140       5.94079238       7.79728163      -1.74620411       2.39771626      -2.11498282 
O       5.77882913       0.68990089       2.29219210      -0.99883002       2.07347491       1.33303804 
O       3.07394977       2.95724875       3.48900425      -0.61671967      -1.71556126      -1.31581409 
O      10.66976184       7.93690325       3.94757571      -2.02231657      -0.82931816       1.72492504 
O       4.68365392       1.62148526       5.84108526       0.63463961       1.55245931      -2.33165658 
O       8.16439843       7.17565792       9.25408846      -1.01728162      -1.28323385      -0.45282725 
O       1.12715979       7.31328642       6.08323155       0.05808994      -0.96934864       1.64859479 
O       0.55146088       8.71631203       8.50780386      -4.18833750       0.34235503      -1.77728854 
O       7.26260534       5.93523783       7.28689634      -2.17797419      -1.72028885      -2.89565022 
O       7.03895569       3.36567575       5.90191976      -1.42002860      -0.31024495      -1.86457299 
O       5.34331637      10.64524676      10.40223642      -4.43235805      -0.04644008       2.70473265 
O       5.11039919       5.33967851       4.86780541      -3.82136753      -0.01001223       1.38500484 
O       9.61374358       0.91013306       8.47833773       0.78377746       1.13679534       1.10962555 
O       8.06891325       4.00793687       3.22936728      -3.20586188       1.51973474      -1.15883632 
O       5.54038247       2.98644249       3.43375286      -2.52418109       3.67160950      -1.40585509 
O       2.65324498       3.33266329       0.77679511      -0.09347865      -1.51351404       0.62976832 
O      10.78955453       0.41177586       0.51222414       0.41762208      -0.03229593      -0.99134070 
O       9.81095038      10.69768332       6.12506296      -2.87286747       0.60796383      -0.32469527 
O       2.04213837       5.24669355      10.28490455       0.10180171       1.60341516      -2.66476300 
O       8.18592714       6.59584934       1.27899405      -1.08577890      -4.76318983       1.93650792 
O       1.88162227      10.55810904       5.79753681       1.89256174       1.60747130      -0.41819503 
O       8.00978233       9.99665726       3.50059440       1.00385323      -1.34271959       1.43119143 
O       0.78076561       6.83009675       1.38115916      -1.28568419      -4.49953809      -1.20953670 
O       9.20021159       8.06394017       6.48784492       1.62909360      -1.74648998       1.81202767 
O       2.98091128       5.39750699       1.72204395       0.90640249       1.27783980       0.69906515 
O       8.35521366       1.88599869       0.83706008       1.20390703       1.04504003      -0.72397074 
O       0.35810939       8.60594385       0.00559374       0.52017639      -0.18375956      -0.64166468 
O       1.17616628       2.28530700       8.42203675       0.29461940       0.53908338       0.45105128 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00313538208883094 -0.003436837667279485 -0.00881559727350629 -0.003436837667279485 0.0023684745244286617 0.005290864920852053 -0.00881559727350629 0.005290864920852053 0.013655760642091628" pbc="T T T" energy=-938.04910914 free_energy=-938.04911544 config_type=amorph 
Hf       9.01657025       2.51419831      10.64686056      -2.16884517       0.48715729       1.09425332 
Hf       3.52572796       7.18968923       1.94306646       2.36107046       1.69855089      -0.59416694 
Hf       8.04002360       7.54172220       2.23943246      -0.16998695       4.78935715       1.33486514 
Hf       6.16892918       0.12493491      10.58974621      -2.03106293       0.05942166       1.22994938 
Hf       3.74956195       5.07371044       9.41812767      -0.75957615      -0.10528016       1.93463527 
Hf       0.67408860       3.89208135       8.59835949      -0.05352224      -0.17429994       1.09786880 
Hf       0.64584686       0.39592514       9.46315335      -2.57749458       0.22183926      -1.80501219 
Hf       4.40119004       7.47672787       5.70950289      -2.02229113      -0.07341253      -2.38661986 
Hf       4.78861627       9.92932751       3.15726073       1.14649582       0.91093358       0.24049648 
Hf       0.91254025       4.44179739       1.67844480       2.88037614       0.87237675       0.43613165 
Hf       0.31596944       7.74346881       2.31276241       0.69617841       2.58479918       1.78244928 
Hf       2.06971332       2.05512779       3.44334793      -0.97142350      -0.45938185       0.45014624 
Hf       9.47568398       5.66084087      10.47874837      -0.96895003       0.38100828       0.63762292 
Hf       9.09154657       6.27261493       7.03106963      -2.35427220       1.85939602      -1.14242247 
Hf       3.29443305       2.37093916       0.72828150      -0.56224085       2.27546597      -0.07565626 
Hf      10.07080926       3.16957728       5.03509294       1.97787656      -2.92781670      -0.64427983 
Hf      10.12027769       0.31449895       2.29504451       0.05348141       0.28934793       2.59506534 
Hf       5.89558279       7.54394689       9.13730027      -1.28807643       0.13245907      -1.10052396 
Hf       7.16163400       1.88550093       3.10339200      -0.75803238      -0.96288781      -1.02319704 
Hf       4.13582927       4.35418155       4.07420237       2.87150153       1.45603980       1.03401630 
Hf       5.69899621       0.08815627       6.21761193      -0.58732017       1.28871878      -0.66683762 
Hf       1.53094059       7.60979279       8.42082366       1.83360650      -1.60608490      -0.93788264 
Hf       1.18086708       5.57716861       5.64856862      -1.49030751       1.13405657      -1.33536185 
Hf       3.13530407       9.66967306      10.69837639       0.95333502       1.06815658       0.03623290 
Hf       1.31102553       9.37800592       5.28908764       1.22708179      -0.91672436      -1.23462130 
Hf       6.14367196       5.09500161       1.14561419      -2.38994687      -0.48438207      -1.46798890 
Hf       8.37922696       1.01392662       7.81314994       2.20493928       0.83347566      -0.33404224 
Hf       9.00124323       8.60881113       9.95377235      -4.10539450       3.17167873      -0.48216809 
Hf       7.26691759       5.05655532       4.62324760      -0.84501474      -0.98827408       3.78976637 
Hf       8.56144265       9.40670645       5.12432660       3.46612176      -0.80219082      -0.24784826 
Hf       5.85979740       3.90269691       7.44019458      -0.12648028      -1.17778965      -1.97239833 
Hf       2.59821527       1.91551975       6.86430634      -0.73306735       0.92708231      -2.99114093 
O       9.47665920       8.18468192       3.57274600      -1.24247576      -0.54085709      -2.04134727 
O       4.12422349       0.87617425       7.07275773       0.88828874      -0.79095694       0.23185102 
O       1.70038702       5.45515786       8.06581050       1.17302215      -0.59369615       0.97092717 
O       5.91318497       0.72260547       4.32976907       0.36915176       0.23069166       0.09916945 
O       3.69719411       7.15623013       8.91127406      -1.91323519      -0.61350826       0.04625193 
O       1.92603576       8.17704023       0.82256532       0.11710946       1.72360627      -0.03836043 
O       4.49421506       9.84037091       9.36544228       1.26120544      -0.85024078      -0.49272597 
O       7.57334537      10.41226542       6.72066755      -0.83634394      -0.52120248      -0.78943705 
O       5.03537749       9.43787604       5.21279238       0.02197390      -0.60529359       0.82297769 
O       4.65708091       3.88684890       0.14589746       0.70513825      -0.18077254       0.05037877 
O       3.31225605       8.42851485       3.87185931       1.02209889       0.07855920      -2.02678494 
O       7.23293663       5.16965202       6.73591162       2.62920339      -0.01339142      -0.18728340 
O       4.54403599       9.37012072       1.26644833      -1.46267282      -1.40691805       0.25538714 
O       3.80762416       3.69427256       7.80571453       0.22189690      -0.21878215      -0.21628590 
O       0.70797934       4.09634956       3.64812390       0.17186006       0.17800179       0.72868685 
O       6.49405400       8.58030308       2.89861017      -0.13931397       0.65402185       0.16321424 
O       7.84596677       7.36156466       8.28159287       1.28090594      -0.09150709       2.29896347 
O       7.50214153       1.27344363       9.66669820       0.45660925       0.82993567       2.48889813 
O       1.52802132       0.34845526       5.71494280       2.81834698       3.27412658       1.32982047 
O       8.01624241       6.95642258       0.26907896      -0.86356770      -0.68361189      -0.67431748 
O       0.84089639       3.55863794       6.33413881       0.59669610       1.24711543       1.88688353 
O       7.77510089       4.53432172      10.76560224       1.73571872      -2.31199217       0.27315840 
O       9.56049518       1.72733360       6.28490553      -1.35036109       0.29415157       1.69972151 
O       4.77309233       6.49240199       0.15469351       1.27545063       0.88051196       0.58572074 
O      10.53249063       0.52539671       0.29215264      -1.45235006      -0.02488272       1.45033350 
O       8.11417049       7.59372331       5.53627616       0.21592842      -2.01402960       1.47904342 
O       0.11284787       1.63384697       3.84615546      -0.51464452      -0.92445070      -1.83855452 
O       8.76155516       0.19296370       3.84638442      -0.94165457       0.12190770      -1.95470986 
O       0.61749221       9.58060041       3.43752414      -0.10823327       1.74368783      -3.33608265 
O       9.90663315       1.93559240       9.08694010       1.59440124       0.40698366      -2.39166692 
O      10.63192112       3.94969975       0.00714338      -1.88875475      -0.08444913      -1.15467921 
O       1.42130761       9.47470690       8.71901092      -0.23998448       2.85528706       2.25630362 
O       3.15994529       3.65294010       2.47939564      -0.15737879      -1.29297055       0.25933017 
O       3.09130811       5.73168277       5.19741988      -0.24058887      -0.49065274       0.27929174 
O       0.86559321       6.81502660       3.88109503       0.93233715      -0.46077743       1.64121821 
O       5.52546735       6.04233107       4.82152755       0.18948290       0.15530872       0.74640508 
O       5.61921639       7.60463341       7.06810980       0.60580653       0.64594902       3.67012252 
O       6.07916866       3.55607964       2.30303468       0.95433293      -2.00185018       2.39843965 
O       1.25551131       2.46638342       1.55137769       0.54776000      -1.76369152       0.43198124 
O       9.77497490       5.16195475       5.30840784      -0.80649888       1.07890904       1.75525604 
O       3.05797528       2.88673418       4.98862022      -0.18627764      -0.70285456       1.19001399 
O       9.76317935       4.92568632       8.57142594      -0.29757259       0.12271601      -0.53106039 
O       0.23476255       6.97089704       7.04224994      -2.41766462      -1.12482577      -1.77547400 
O       2.36469491       8.15795464       6.64195457       1.41676886      -0.65434196      -1.00831142 
O       5.67762839       5.15643179       8.97910906       1.04112697       1.53731054      -0.47010425 
O       6.60898706       2.11774632       7.68251555       0.49276722      -0.64330243      -1.46248451 
O       4.35923400       0.90482007       0.22861947       1.89978833      -0.74936776      -1.32863457 
O       5.82959880       3.55037169       5.28354384      -0.89562876       0.66371527      -1.04394801 
O       9.25450079      10.28890620       8.89395360       1.26290459      -0.53017456      -0.03052134 
O       8.35638289       3.22825049       4.14772806      -2.17766885       0.32329204      -1.08568188 
O       4.72422990       5.84697690       2.68541890       0.40368686      -0.80710614      -1.16873190 
O       2.09483320       0.51488352      10.66663933       0.70255670       0.09126398       0.45846285 
O       6.81312294       9.17898328      10.16062069       1.11690030      -1.83316852      -0.76953186 
O      10.45664808       9.48124526       5.95642749      -4.24769034      -0.40566126       0.52935985 
O       2.28458190       3.94672316      10.51669961      -0.99348328       0.13367165      -2.08533151 
O       7.60324119       5.81887271       2.92338895      -0.14745707      -1.20265797      -2.63044474 
O       3.53924468       0.86864851       2.76247464      -0.64783293      -0.68851970       0.21238290 
O       6.59528394       0.61844909       1.60731347      -0.57795937      -0.65649002       0.67792204 
O      10.48239362       6.13081032       1.42760213      -1.72522097      -1.50756481      -1.06300274 
O      10.45420431       7.45081862       9.70707844       2.24665106      -2.45190736      -0.61078837 
O       2.32763715       5.88316735       1.51502473      -2.80507011      -2.06599515       0.21048377 
O       8.65413319       1.84021394       1.54045348       1.41627726      -0.26389525       2.46480074 
O       9.21332108       8.84788104       1.07486501       2.22696497       1.81790219       0.65136318 
O       1.49308554       2.10999563       8.50976082       0.55837213      -2.14302626       0.13361246 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.005300650171614338 0.007016856471408575 0.003971592231087935 0.007016856471408575 0.015546723012075051 0.005167367313015782 0.003971592231087935 0.005167367313015782 -0.003029774880609717" pbc="T T T" energy=-935.60635767 free_energy=-935.60637939 config_type=amorph 
Hf       8.80964059       2.44465778       0.22256401      -0.91474659       0.44078289      -1.84376491 
Hf       3.76447371       7.33978202       1.47444408      -1.30654210      -1.84648102       2.72569376 
Hf       8.04760460       7.62328453       2.16796676       0.26901284       0.71675841       1.51438110 
Hf       6.01294311      10.76467055      10.64639602      -2.19850262      -3.42076839      -1.77467438 
Hf       3.78264899       5.07268625       9.53407460       0.25169435      -0.17469926      -0.58730111 
Hf       0.46273824       3.89585263       8.79951910      -0.27955837       0.03552048       0.34723199 
Hf       0.49027041       0.50947661       9.53024654      -0.18540898       3.21711996       0.50489660 
Hf       4.26689195       7.69021227       5.57874441       0.56162800       0.43531140      -0.94404625 
Hf       5.04740330      10.01224016       2.96277356      -0.95359410      -0.59116317       2.05903630 
Hf       1.01092668       4.19833282       1.80952115       2.86417096       1.10442117      -0.27463440 
Hf       0.46823210       7.67324475       2.22472003      -0.82485388      -0.49467923       1.56477408 
Hf       2.19730467       1.46639832       3.64657524       1.94951086       2.78499476      -0.20068793 
Hf       9.31084531       5.75527451      10.77091893      -0.22287047      -1.55856686      -1.28028755 
Hf       9.02890210       6.54814388       7.38001505      -2.36311433      -1.81817858      -2.11746311 
Hf       3.25377206       1.99712084       0.64973572       0.57783086       3.58867736       1.48660605 
Hf       9.81994010       3.20578346       4.94675646       1.04336453      -0.72565681       0.54854996 
Hf      10.32181227       0.49445890       2.48403684       0.33262970       1.89923197       0.26117077 
Hf       5.61550655       7.86705873       9.03874741       0.94128886       0.59663559      -0.01593397 
Hf       7.06016175       1.68693805       2.98461688      -1.40727068      -0.40853903       2.10920495 
Hf       4.15700254       4.54187666       4.25223249      -0.51759880      -1.48251898      -3.85446958 
Hf       5.91975112      10.79271275       6.49681174      -6.56365993      -1.09162383      -1.82668161 
Hf       1.64744369       7.60153392       8.34165841      -2.64312113      -2.07022872       0.61249509 
Hf       0.88596430       5.74284159       5.29986877      -1.70677989      -0.27941520       0.51299325 
Hf       2.97551849       9.67257345      10.33406639       3.93017073       1.89997571       1.84587966 
Hf       1.19556964       9.43504525       5.01277204       2.60970970      -1.78412277       5.65816089 
Hf       6.05098229       4.70278088       1.26050198      -1.18986486       0.05760315       0.11052017 
Hf       8.65818348       1.10169402       7.74101506      -4.62483307      -3.49190254       5.12172844 
Hf       9.17389186       8.87365676      10.00205798      -1.84184624      -1.61036548      -0.54518720 
Hf       7.43956329       5.30736835       4.76824833      -0.12673878       1.04705603       0.94286509 
Hf       8.68792535       9.17479196       4.74844002      -0.79669104      -1.61303188       2.17984454 
Hf       5.96408101       3.69490092       7.11367482       0.63471317       4.50459260      -0.89318595 
Hf       2.81155745       1.95680280       6.88809133       0.92657858       0.69080781      -0.93917481 
O       9.40287252       7.60621041       3.59197110       0.72648377       2.65720853       0.35311543 
O       4.23154396       0.73955040       7.22093644       0.10448689       0.67988844      -0.08998173 
O       1.85897981       5.32503512       8.71569310       1.71947346       2.76881184       0.76333073 
O       5.76972997       0.65021850       4.22479358       2.38929368       1.23328857       0.10029766 
O       3.20158021       7.86344931       9.68634605      -0.04721517      -2.72669866      -2.17092273 
O       1.92094065       8.20045459       1.19870376       2.68251830       4.24261123      -3.65382084 
O       4.89610783       9.87598770       9.06102890      -0.89069460      -2.12193964       0.38243694 
O       7.78746259      10.60063395       6.35753231       2.53379748      -0.67922784       0.58661286 
O       4.66300110       9.85013708       5.15301649      -0.37797525      -3.08852100       0.55803106 
O       4.69337254       3.83920706      10.80891142       0.49329559      -0.20748025      -0.13098567 
O       3.85411046       8.20685224       3.43558367       0.97662241       0.14534028      -0.30086726 
O       7.29674632       5.30677277       7.09701714      -0.47396063      -2.19666369      -0.25956092 
O       4.62823045       9.15941577       0.77378377      -1.01661843      -0.20884505       1.33865430 
O       4.13554928       3.44082979       7.63335403      -2.36033542       0.02798057       1.09278858 
O       0.21153177       4.36469290       3.80218947       1.06624338       0.69705040       0.06870996 
O       6.87390630       8.65483972       3.35722017      -0.50860935       1.84779080       0.08293736 
O       8.04624115       7.83717399       8.43716151       0.30358652       0.40847077       1.60081892 
O       7.16902273       1.28748416      10.50339069       5.33433080       4.11606572      -1.31452271 
O       2.05788802       0.54255052       5.50787212      -0.05015721      -1.08571753       0.15766530 
O       7.70818281       6.80466029       0.51958682      -0.23422431      -1.09079021      -4.31976371 
O       0.59232553       4.06551500       6.89166481       0.71679493      -0.04803275      -2.74307163 
O       7.80937551       4.15885659       0.34638191      -0.39992678       0.26556731      -0.91153889 
O       9.60665058       2.01672243       6.69857973       3.93389448       4.00566719      -5.48633603 
O       4.90406685       6.47583442       0.03672935       0.61053751      -1.04863541      -2.06554018 
O      10.21848108       0.42377019       0.37510600       0.40571486       0.71664464       1.09751190 
O       7.90129850       7.31742899       5.69972543       1.00721842       1.05795849      -0.96040511 
O       0.19126837       1.65569659       4.21913079      -0.41204497      -0.08094842      -1.01641494 
O       8.95444819       0.28727271       3.99553173      -0.67736962      -2.11573880      -1.83770700 
O       1.14870055       9.88379050       3.27546948      -2.43466804       3.11170548      -5.53202409 
O       9.74845443       2.25651071       9.37376173       1.23786770      -0.87538252      -2.46907453 
O      10.32413618       4.07116041       0.47163730      -0.09532851      -1.70784081      -1.05117003 
O       1.41111208       9.56463949       9.11046204      -0.82012694      -0.50176814      -1.38549229 
O       3.00418797       3.42922727       2.46395355      -0.40514978      -0.65234725       0.62586074 
O       2.79826101       5.80595809       4.95018718       0.31545510      -0.23690865       0.94362769 
O       0.91889393       7.48721903       4.16662204       0.57647646      -0.24199758       0.99790030 
O       5.27596729       5.92662895       5.05629314       1.77380522       3.13737762       0.67641501 
O       5.48235978       8.30756509       7.12967949      -0.44048648       0.69551464      -1.34692786 
O       5.79026880       2.99982459       2.44435054       0.23571441       1.71277233      -1.43982049 
O       1.11211341       2.10955345       1.99317086      -1.57202356      -2.43376127      -0.13893913 
O       9.35494679       5.06890574       5.68277691      -0.23096347      -0.51505698      -1.45165519 
O       3.31596024       2.83288434       4.88501567      -1.77940400      -1.88565820       1.92314289 
O       9.74853976       5.25521319       8.78373177      -0.74958164      -2.05934363       0.87086426 
O       0.07550025       6.76041432       6.88012689       1.98017009       1.20791876       0.32696662 
O       2.31192387       7.96894168       6.49816021       1.55871422       1.02779582      -0.04637218 
O       4.90064037       5.94106976       8.08175513      -0.71351315       0.15415016       2.32264355 
O       6.82368422       2.09270622       7.55097801       1.89387628      -3.53653214       0.26289046 
O       4.52036304       1.09379569      10.32732361      -1.39604893       0.75270259       0.69168640 
O       5.91832785       3.64794422       5.12188164       0.34479729       0.23011719       0.78341376 
O       9.76623759      10.39720927       8.89062374      -1.94585021      -0.41614597      -2.02896792 
O       8.13818249       3.29385082       3.93195905       0.30102610       0.47364730       1.99678404 
O       4.63479627       5.64673802       2.37216941       0.98208887      -0.28883139       1.23887387 
O       2.13212991       0.66272481      10.59172511      -1.34465280      -1.44691682       0.42952052 
O       7.04530655       9.02070772      10.22575615       1.09647056       0.59437385       0.20203107 
O      10.40728213       9.43107497       5.92134451      -1.96351803       0.02753384      -0.94868314 
O       2.00441729       3.58147821      10.79641097       0.18569681       0.12582440      -0.95798238 
O       7.71362988       5.71719115       2.67612824      -2.00086808      -1.05369084       2.48537301 
O       3.48839423       0.52664356       2.20143639      -0.18253056      -0.01419104       1.45716455 
O       6.24898334       0.13133420       1.65990224       1.34806420       0.82564966       4.17600682 
O      10.30929695       6.22547877       1.48229399      -0.01569944      -0.02384861       0.87703431 
O      10.64709202       7.23818558       9.75427941      -0.85453974       2.85104155      -0.05519982 
O       2.10511689       6.03846946       1.90181728      -1.34549881      -1.24179552       0.12724564 
O       8.81480203       2.01726286       2.07041637       1.99120026      -2.21083018       0.70420209 
O       9.52879906       8.88882419       1.14159234       0.35429735      -0.33982720       1.07888969 
O       1.38955568       2.08260199       8.40594045       0.34339182      -1.97814003      -0.25242969 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0006698898773495322 -0.018807525798843566 -0.001508970321132775 -0.018807525798843566 0.024864043141578716 0.0038002064572380512 -0.001508970321132775 0.0038002064572380512 0.0246457470090179" pbc="T T T" energy=-953.27074895 free_energy=-953.2707492 config_type=amorph 
Hf       9.24839625       2.36351895       0.36031638      -0.49642176       0.27970312       0.13678232 
Hf       3.97309304       7.10108068       1.06249701       0.23542379      -0.19725253      -0.09282305 
Hf       7.27524192       8.00367400       1.87338208       1.56400182      -0.40970460      -0.11710284 
Hf       6.72439910       0.33502865       0.83393226       2.35347159       0.49935735      -1.52285433 
Hf       3.26914293       4.28395131       9.23102347       1.08577533       0.89498615       0.64135523 
Hf       0.29377361       3.91940692       8.87528218      -1.74682825       0.96240170       0.14304943 
Hf       0.46861326      10.73464934      10.05223250       1.25464625       0.28117774      -0.03626750 
Hf       4.17945697       7.52814263       5.48831883      -0.45805456      -0.18523013       2.46434572 
Hf       4.89680644      10.00341589       3.61612574      -0.29382748       0.55369697       0.14413011 
Hf       0.70538912       4.09679608       1.60344383       1.26236415      -0.79546796       0.37307793 
Hf       0.14512449       7.98776357       1.87707172      -0.51821300      -0.03093143      -0.32138493 
Hf       2.06488354       1.86277367       3.85188610      -0.82949566      -0.89586799      -2.30269023 
Hf       8.26739188       5.56058139      10.44789264       1.33109228       1.83332155      -0.87748387 
Hf       9.45480567       6.20483041       6.95982952       0.29161899       0.32972806      -0.60190609 
Hf       3.70185203       1.55550105       1.00479056       0.29414009       0.09614958      -0.00026336 
Hf       9.97515689       3.34983328       5.29198662       0.22151330       0.60779743       0.62366722 
Hf       9.88627899       0.86166060       2.94037254       1.48089278      -3.44280779      -0.14630331 
Hf       5.56510817       7.16842433       9.07642289       0.65699103      -0.23640696      -0.15936782 
Hf       6.85796634       1.98601586       3.78579354      -0.35761460       0.81934904      -0.17242915 
Hf       4.53824510       4.63750776       4.16260345      -0.84623393      -0.84760484      -0.37368875 
Hf       5.95911531      10.66731634       6.80142184      -2.02491641       0.76161331       0.65867059 
Hf       1.41576088       7.57911705       7.83303869      -0.52761286      -0.27855423       0.27148989 
Hf       0.91275965       6.00728749       4.33786031      -0.22435961      -0.91630080       1.11505538 
Hf       3.80075372      10.14965175       9.37661457       0.55044429      -0.52681688       0.21740135 
Hf       1.65410581       9.58676172       4.78142665      -1.81704269       1.06745313       0.03282934 
Hf       5.63344278       4.33013818       0.87866221       1.46418807       0.59470131       0.38647586 
Hf       8.52113580       1.22821472       8.14005000       0.36557734      -2.69393738       2.37247501 
Hf       9.05433291       8.66036875       9.75324252      -0.49667493      -1.55924305       0.96287085 
Hf       7.48372675       5.26974312       4.45076138       1.54577000       1.05788598      -0.59543567 
Hf       8.93978319       9.57631225       5.22514551      -1.32139793      -1.67166803      -0.71374610 
Hf       6.34226816       3.76583129       7.38130468       0.43786759      -0.06642381       0.53875518 
Hf       3.02784312       1.95455868       6.77460543       2.24166889       1.48937367       0.16448529 
O       9.39421371       9.40120944       2.88890241       0.38388511      -0.03873676       0.47905567 
O       3.99453631       0.58608530       7.77698468       1.02826702      -0.51069483       0.36671515 
O       1.92770406       5.74358134       8.58865184      -0.32524110      -0.00180920      -0.20021090 
O       5.55215761       0.88471854       4.97348884       0.54362449      -1.44755192      -0.78677067 
O       4.35183832       8.29979562      10.32172053       0.20939538       0.90458389      -1.28915823 
O       2.24415455       7.70737835       1.25982660      -3.08281197       0.79817073       0.66732541 
O       5.62304727       9.40693443       8.30019677      -0.88133710      -0.49248070       0.77736015 
O       7.87538339      10.50038369       6.92019577       1.38354308      -0.34098995      -0.57346851 
O       5.49071386       9.13718226       5.53980046      -0.13098574       0.27496550      -1.67911477 
O       4.42893825       3.10400919      10.61149205      -0.85833423       0.08654451       0.33690063 
O       3.27019155       8.76516001       3.95042626       2.65397486      -0.04101572       0.20971067 
O       7.77971256       4.89416878       6.49021845       0.71901922       0.95854839      -0.16400560 
O       5.24432729       8.13736837       2.17293116      -0.09090075       0.82434979       1.47352965 
O       4.40539460       3.53568390       7.52672598      -2.51622917       0.07721307       0.80964475 
O       1.27592854       3.96503914       3.79038459      -0.90952272       1.20984121      -0.20982872 
O       6.61760603      10.13065821       2.52204920      -0.66302352       0.16989186       0.99131261 
O       7.70182825       7.18984317       9.12227300      -0.69560924       1.04960508      -0.01624883 
O       7.76544393       1.45720461      10.14279552       0.16669146      -0.58239544       0.38326242 
O       2.54043174       0.51036933       5.52329803      -1.18078817       0.00441087      -0.89181837 
O       6.68155652       6.35587422       0.76487862      -1.95065211       0.04783461      -0.49836054 
O       0.00896964       4.41869451       6.84090231      -0.20081487      -0.68575361       0.37128386 
O       7.69822525       4.04224417       0.55765976      -1.62400216      -3.08700270       0.92553309 
O       9.28599824       2.24743458       6.82779227       0.82773791       1.56149396      -1.97551878 
O       4.35398885       5.75201152      10.28869667      -0.45543577      -0.44661459      -0.00047206 
O      10.47755504       0.60447217       0.76778303      -1.00792556       1.25829012       1.07659658 
O       8.53730027       7.67678675       5.93204443       0.27920110       1.28844345       0.18622014 
O       0.08498285       1.84519939       4.37261924       0.09633940      -0.14545650       1.97228980 
O       8.37858079       0.66043629       4.41126941       0.01935892      -0.05357744      -0.43772970 
O       1.10815116      10.73532048       3.15934190      -0.35243951       0.56135900       0.72354555 
O      10.35705191       2.08004597       9.35711393      -0.52034453      -0.35036476       0.12022627 
O      10.09197982       4.18627444       0.13552291       0.94431975       0.93752575      -0.57443909 
O       1.88448336       9.59701707       8.93635410      -0.26148521      -1.40602569      -0.56560331 
O       2.15709303       2.47954698       1.86494723      -0.00746370       0.77198861       0.29303363 
O       2.97681583       5.98849469       4.93571977       0.37727924      -0.61250180      -1.16974648 
O       0.79562352       7.98696573       3.83695882      -0.35553793      -0.52079882      -0.80267962 
O       5.67043345       6.14633915       4.88201812      -1.51779654       0.02925789       0.17702244 
O       4.42599715       6.89353211       7.52782975       0.63902956       0.08615600      -0.78095954 
O       6.26514847       4.28806696       2.93533215      -0.86504573       0.23132323       0.68388625 
O      10.24979941       2.73778630       2.26822668       0.27120606       1.21304605      -1.86455440 
O       9.74737053       5.44035662       4.85748871       0.01993014      -0.65640188      -0.65455823 
O       3.32333855       2.95878308       4.91884963       0.95000556       0.68165809       0.73186563 
O       9.33619861       5.14491070       8.75887505       1.13962204      -1.05911888       0.06146679 
O       0.51389483       6.87458623       6.15859142       0.11005579       0.32625238       1.88886890 
O       2.56886010       8.48344848       6.44789481       0.10625016       0.24007614      -0.40081076 
O       6.41506951       4.92827046       9.10487959       0.11678844      -0.07656515      -0.35834312 
O       6.63918729       1.82306414       7.74947954      -0.06511945      -0.11146954      -0.47781326 
O       5.01931952       0.28466566      10.76763184      -0.76802185      -0.41940125      -0.09021747 
O       5.99653719       3.43720236       5.31434758      -0.65399849       0.98103593      -1.05557682 
O       9.65215708      10.35601144       8.91641314       0.01369368       0.85802490      -0.14165708 
O       8.27085473       3.39152356       4.14384192       1.25862695      -0.62157086       0.43086066 
O       4.10709096       5.30130203       2.06490286       0.17150447      -1.19814302       1.12971839 
O       2.52337400       0.51410761      10.61365225      -0.67242572      -0.21474837      -0.50422864 
O       7.51328277       9.34757217       0.09528749      -0.05961484       0.74218751       0.83766868 
O      10.68334369       9.90433975       5.71274178       0.99937498       0.04136546       0.50096358 
O       1.72444787       4.00430205      10.56288551       0.14032419       0.01179499      -0.87627512 
O       7.89516487       6.91574292       3.36338908      -0.78718215      -0.13572598      -0.23063111 
O       3.70908823       0.65115204       2.90683159       0.45623440      -0.79374027      -0.32527761 
O       5.70908427       2.08279187       1.88555304      -0.30704011      -0.52237397      -0.36794263 
O       9.15779513       7.05997773       0.85682062       0.29667707       0.97767780      -0.98230850 
O      10.26046894       7.62536081       8.48121912       1.57952070      -0.33331776      -1.16650044 
O       0.43663433       5.98355592       2.30447836      -0.24395083      -0.13596018      -0.32737658 
O       8.20704309       1.46767839       1.91929689      -1.47868951      -0.59770863       0.19196942 
O      10.75877826       8.95602442       0.06134453       0.32934679       0.72418535      -0.29738198 
O       1.81033744       2.79425664       8.03486249       0.51482009       0.41025172       0.69427614 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0026148736884627 -0.015527537755218255 -0.001249080615719343 -0.015527537755218255 -3.3254280026503305e-05 0.007977011469321274 -0.001249080615719343 0.007977011469321274 0.012580110730823118" pbc="T T T" energy=-953.15041139 free_energy=-953.15041146 config_type=amorph 
Hf       9.31366525       2.47712319       0.35398506       0.26516617      -0.01911445       0.10297713 
Hf       3.80925577       7.13024163       0.99698874      -0.38565938      -0.24816580       1.65821801 
Hf       7.19175628       7.91898254       1.71392285       0.54949875       1.01281699      -0.09403633 
Hf       6.88447139       0.37248897       0.77130255      -0.87171334      -0.93367145       0.97701993 
Hf       3.34304111       4.14351981       9.45500901       1.17786908      -0.51761220      -1.46389404 
Hf       0.37142472       4.01661805       8.68132447      -0.96323113      -0.03057754       0.37261914 
Hf       0.55257322      10.60893777      10.11675751       0.37908879       0.18532882      -0.27653250 
Hf       4.05050814       7.53783096       5.55323782       0.30394887      -1.13929471       1.33730878 
Hf       4.96831719       9.73335964       3.52579288       0.40993253       1.79995985      -0.21627467 
Hf       0.93036075       4.18481025       1.58195486       0.62228631       0.26178654      -0.65185742 
Hf       0.10968563       8.05316827       1.84789557      -0.00947030      -1.33783257       0.88235294 
Hf       1.83135797       2.12984573       3.97357214      -0.18357749      -1.16647610       1.07497497 
Hf       8.27301070       5.48145761      10.24617697       0.75116557       0.74016462      -1.05041943 
Hf       9.41519721       6.39792102       6.90675516      -0.17663491       0.06273264       0.14884776 
Hf       3.74293533       1.50235318       1.12102149       0.59183382      -2.74161865      -0.69052399 
Hf       9.70825213       3.48626150       5.45944178      -0.69462944      -1.43588798       0.33823184 
Hf       9.94154504       0.79756833       2.99174799       0.20800255       0.52751139      -0.03413816 
Hf       5.53011811       7.27599416       9.00013936       1.57844957      -0.77580835      -0.22810773 
Hf       6.88792653       1.98206154       3.77166453       0.29457141       0.09328737       0.01887089 
Hf       4.36319147       4.70111171       4.06358799      -1.18434968      -1.88803705      -0.37692016 
Hf       5.92065990      10.64751064       6.85532064      -0.01406778       0.03547691      -1.23392360 
Hf       1.47027339       7.50775101       7.95849395      -1.48131783       0.79727969      -1.39138679 
Hf       0.87768644       5.99941239       4.38358210      -0.64626656       0.61572657       0.37560322 
Hf       3.83119430       9.99886132       9.47442073      -0.03627739       1.48952839      -1.47203006 
Hf       1.59678617       9.62901783       4.79069375      -2.22942630       1.53854707       1.01328460 
Hf       5.77069000       4.42294738       0.86356871      -0.05344584      -0.00939428       1.20210414 
Hf       8.60886205       1.16526736       8.23475776      -1.40970508      -1.78737465      -0.72553968 
Hf       9.06160950       8.65460435       9.85148316      -1.06516843      -2.82420269      -1.57342681 
Hf       7.45496434       5.25605390       4.37483741      -0.56592863       2.88945166       0.59756376 
Hf       8.83519690       9.51404016       5.07523087      -0.26782225       1.36568066       0.15497597 
Hf       6.45829217       3.58850401       7.28898934       0.54094779       1.90230461       0.36652614 
Hf       3.19076759       1.99019654       6.87194151       0.58916668       0.36320273       1.16766009 
O       9.66292735       9.68787777       3.01707155      -0.58535324      -1.89802017      -0.63113899 
O       4.11600175       0.49353372       7.83949518      -0.48043257      -0.57846010      -0.11444542 
O       1.75887286       5.68232507       8.58690201       0.41216693      -1.65517624       0.96519211 
O       5.88561426       0.62122539       4.85400936      -1.39321912      -0.52596805      -0.07889139 
O       4.54520479       8.31028678      10.39887421      -0.63388559       0.03987660      -0.04546990 
O       2.07649887       8.05304429       1.22155695       0.73767098      -0.73294407       0.06652782 
O       5.66594792       9.26432286       8.23079247      -0.92177512      -0.62528677       1.78459871 
O       7.90171929      10.48192234       6.81692625       0.52589036       0.58979111       0.31978532 
O       5.42735667       8.98452107       5.50071137       0.62319960       0.96409774      -0.77952142 
O       4.57372478       3.02234448      10.80143747      -0.74624453       1.07888101      -0.63706415 
O       3.26150950       8.79407572       4.14530894       0.72030505      -0.19130290      -1.59180735 
O       7.67907929       5.24495599       6.50229572       0.42224845      -0.64393602      -1.22250349 
O       5.18147069       7.96481810       2.31372907      -1.05779507       0.23574492      -0.21414613 
O       4.43333768       3.72435934       7.77436168      -0.16439754      -0.88874377      -0.75984266 
O       1.43276151       4.19258177       3.65700972      -0.50289872      -0.86163579      -0.35414855 
O       6.74590664       9.99963038       2.50540738      -0.38209057      -0.56477852      -0.23785594 
O       7.53865832       7.34562437       9.12592704       1.34152467      -0.12006028       0.37985267 
O       7.90087250       1.20083942      10.12349377      -0.40294568       0.88786757       0.18092005 
O       2.30983489       0.75216810       5.57272032      -0.42316516      -0.87778920      -0.10100126 
O       6.43574611       6.38000086       0.59544598       0.06992644      -0.69194647      -0.54059187 
O       0.23359125       4.17641719       6.64426123       0.32093867      -0.43779732       1.63144485 
O       7.71742537       3.86648769       0.48612186      -1.66275555      -0.37055645       0.58533261 
O       8.59326058       2.69051596       6.98724260       0.08765578       0.72673486      -1.00410030 
O       4.21640964       5.74404719      10.15575541       0.61181302       1.22419336       1.13596125 
O      10.43176508       0.69582488       0.65641802      -0.01686546      -0.06227145       0.60376786 
O       8.50555398       7.86453766       6.02765403      -0.31495224      -0.53926495      -0.19483512 
O      10.79536898       2.06779999       4.66977927      -0.24357765       0.17411937      -0.37983584 
O       8.44763941       0.76770823       4.38640780       0.12779210      -0.02124015       0.18960571 
O       0.95442170       0.20048944       3.36519688       1.92394151      -0.16585854       0.08698542 
O      10.09451239       2.19960459       9.15740821       1.05731298       0.69678777       0.60495208 
O      10.03186445       4.36726130       0.06138578       1.62540085       0.33243255      -0.30212270 
O       1.90209781       9.26982324       9.02028605       0.23454632      -0.58512648       0.02277489 
O       2.37626161       2.46911911       2.09514489      -0.11630874       1.17455574      -0.81000723 
O       2.86680299       5.88275904       4.91399966       0.58550276       0.87294743      -0.44609550 
O       0.68499230       8.00611581       3.83154203       0.44949418      -0.01195501       0.35388874 
O       5.45237613       6.01999682       4.84691136       0.25057302       1.84838117       0.84914038 
O       4.36121116       7.11497824       7.49318655      -0.67952600      -0.85088793      -0.04346890 
O       6.17656587       4.55562722       2.88946304      -0.70259417      -0.97990928      -1.13216087 
O      10.55989502       2.79996351       2.01289296      -0.93399091      -0.99968108       0.49316844 
O       9.65634199       5.43394528       4.66944294       0.96126778       0.54430225       1.17625670 
O       3.34410210       2.98000380       5.10183764       0.60957640       1.14859443      -0.97883618 
O       9.39123515       5.10593049       8.61271453       1.12654086      -0.04659403      -0.34071375 
O       0.52010478       6.59730377       6.33236509       0.24561614       1.16581058      -0.14769353 
O       2.45774349       8.53890940       6.38795293      -1.23583263      -0.27363781       0.94061795 
O       6.74871485       4.79077767       9.03641025      -0.73445150      -0.16839012       0.43016930 
O       6.36389501       1.68106574       7.70853597       1.30601990      -1.14257935       0.55117003 
O       5.02242411       0.01576116      10.78586423       1.20253608       1.42427879       1.13175110 
O       6.10833797       3.50679566       5.25468492      -0.61824968      -0.47854082      -0.78982962 
O       9.63892774      10.30311978       8.98816219       1.38682854       1.79495997      -0.69063103 
O       8.30941284       3.57511866       3.95037415       0.21414286      -2.44785598      -0.30547466 
O       3.91107249       5.24978207       2.02688670      -0.14395621       0.45033710      -0.34577417 
O       2.48400047       0.39829856      10.49008187       0.26891682       0.66724101       0.76160518 
O       7.75405800       9.45249913       0.21596877      -1.49345030       0.85814462       0.79288215 
O      10.52656240       9.78604621       5.77112610       1.96658782       0.22540559      -0.14823165 
O       1.77001778       3.85666691      10.55012353      -1.42193734       0.12168638       1.14464893 
O       7.83484779       6.94292085       3.19834273       0.05157756      -0.10898131       0.68090046 
O       3.69906369       0.10255246       2.55559341       0.83068350      -0.14019361       0.50432335 
O       5.63035794       1.89533082       2.05430173       0.54865855       0.03193338      -0.29702894 
O       9.17557123       7.31205780       0.66057134      -1.44165963      -1.61032039       0.41024502 
O      10.28978035       7.56678346       8.43875175       0.85021390       0.45874739       0.00121600 
O       0.55335619       6.07042484       2.22827082      -0.66143103       0.06881623      -0.36076620 
O       8.24795150       1.50670333       2.00950545      -1.20987804       0.18259306      -1.67458266 
O      10.72838164       8.87545013       0.05520482       2.12657687       2.64640019      -0.57266400 
O       2.04414647       2.60673057       8.36636597      -0.50550623       0.98354788      -0.80158198 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.01610766664234176 0.003384354701975689 0.0030507874703348064 0.003384354701975689 0.01679582927415539 0.00927119093310889 0.0030507874703348064 0.00927119093310889 0.01906797049924847" pbc="T T T" energy=-933.20211507 free_energy=-933.20212342 config_type=amorph 
Hf       8.86636541       2.54968407      10.75601184       0.22305871      -2.09108767       1.20304751 
Hf       3.67597959       7.27566663       1.68366812       0.37479950       0.46351970      -0.48445656 
Hf       7.77148420       7.96240853       2.30387768       2.69116472      -1.69965820      -2.69928998 
Hf       5.86888906      10.60052289      10.82423876       5.54157489      -0.17119547       0.98170584 
Hf       3.73870787       4.92662768       9.27082539      -2.74755339       1.12560502       1.80881268 
Hf       0.52151089       3.57460287       8.60404323      -0.16935796      -0.64463050      -0.79745380 
Hf       0.57425870       0.25796520       9.48849687      -2.46290050       3.24338999       0.40105953 
Hf       4.26066593       7.37952999       5.67418117       0.07354112       0.27848669      -1.40464966 
Hf       4.91059283      10.10126613       3.39582322       1.61345785      -2.83351375      -0.67898580 
Hf       0.54909061       4.91188430       2.16085433       2.66050020      -3.14039783      -2.47313911 
Hf       0.40151237       7.88201804       1.92547514       1.22725941       3.12502951       2.00769421 
Hf       2.33827422       1.71161348       3.29268930       2.22678894       0.48301483       0.66350872 
Hf       9.20710364       5.72505886      10.63804552       0.41389620      -0.27592393      -2.76159915 
Hf       8.85324322       6.30419196       6.94763359       0.18981574       0.22556984       3.87574976 
Hf       3.03741659       2.44341168       0.43206141       4.44567198       2.75832355       0.71809015 
Hf      10.44777289       2.74765983       5.19610387      -2.68555519       1.12814937       0.41077393 
Hf       9.93318727       0.16802360       2.56680695       0.83828856       1.21881092      -0.35744664 
Hf       5.95632110       7.70347451       9.18738610       2.00236379      -2.69410961       3.85269710 
Hf       7.04571573       1.82192487       3.24563674       1.49494262       1.20372634      -0.50318488 
Hf       4.38547220       4.20566043       3.99799765       1.54516918       0.90659277       0.37465025 
Hf       5.81527220       0.51257990       6.31576050      -1.90782430      -1.60352065       2.03130288 
Hf       1.29949814       7.37940047       8.46822840       3.18666558      -0.67499310      -1.48504204 
Hf       0.93629288       6.14868152       5.40636046       2.46903685       2.83969060       3.03927835 
Hf       3.09594530      10.07001598      10.75275515      -0.84455554      -2.47125211       0.31835470 
Hf       1.52795162       9.46212742       4.94467779      -2.95636622      -0.21804843       0.66237444 
Hf       6.19482247       5.09628125       1.09317394      -2.35630871       1.73311090      -0.61843605 
Hf       8.65021111       0.68638365       7.79760667      -1.79496663      -0.77180203       1.36390399 
Hf       9.34376973       8.94832303       9.86513851      -4.24995133      -0.66656505       0.30241923 
Hf       7.58252660       5.17833212       4.60758111      -1.69470412      -1.22544800      -1.00361593 
Hf       8.58981792       9.15859937       5.06996814       1.20594628       0.00410037       0.98101764 
Hf       6.03296832       3.66730416       7.56668358      -1.28385470      -0.70268741      -2.10248625 
Hf       2.79657242       2.05687252       6.61043801      -0.88073940      -2.83751573       0.48872724 
O       9.43566145       8.17072411       3.45372683      -1.21444960       0.11828516      -1.24171574 
O       4.06364531       0.39278342       7.11278145      -0.29690183       2.36334848      -0.35727865 
O       1.75439580       5.59324883       7.52359273      -1.00208222      -0.71275812       0.51385712 
O       5.88541396       0.82478642       4.43523136      -0.50966908      -0.69352262      -1.45566711 
O       2.49660710       6.46045584       9.87053390      -0.89592290       0.04903198      -2.15713302 
O       1.82785614       8.58266434       0.52068548       0.90480834      -0.11299891       3.80127271 
O       4.87564848       9.26479142       9.65062460      -2.91433359       1.87806370      -0.41933616 
O       7.47388177      10.14335050       6.64764993       0.68927677       1.22642506       0.59234680 
O       4.89603238       9.42344490       5.47302352       0.01583318      -0.16197552      -0.88548955 
O       4.47500722       4.03610055       0.18769435      -0.07423280      -0.74267001      -0.49222735 
O       3.81640121       8.14618211       3.52603422       0.68801766       1.17441675       0.33126135 
O       7.38020232       4.81062234       6.76013097       0.06704496       0.11715828      -1.15720120 
O       4.71404794       9.31370835       1.29854517      -0.95814159      -0.73241195      -0.27977771 
O       3.94562037       3.31486320       7.56160161       1.01432834       2.57722513       2.62394764 
O       0.68095894       4.92568230       4.02253672      -0.66673847      -3.77854806      -2.49325584 
O       7.00018881       9.10280624       3.55549860      -1.85748416       0.26311636       0.30002048 
O       8.13703617       7.49073529       8.58944587      -0.00278621       0.30240842       0.04881825 
O       7.51619021       0.81506118       9.87462773       1.26853228       0.78570992       1.00530333 
O       1.78487830       0.49906482       5.58155979       1.48244657       0.87649614      -1.69149074 
O       7.50621896       6.55323725       0.16776131      -1.23727584      -0.03979881       1.53109771 
O       0.92624315       3.09358078       6.61153027       0.51774057       2.32121958       1.08298718 
O       7.73900522       4.19760175      10.82221003       0.52445048      -2.16428511       0.52282071 
O       9.81237561       1.59868256       6.69933143      -0.51745386       0.62702271      -2.47146043 
O       4.71454950       6.67137684       0.06305788       2.57057886       0.44103108      -0.88892137 
O      10.23915008      10.82434602       0.40846934      -0.65270643       0.21320496      -0.64343612 
O       7.86216946       7.27979910       5.52653442       0.30529716      -1.15790825      -0.05210988 
O       0.36326345       1.75104477       3.71477121      -1.43495456      -0.92768083      -1.85126706 
O       8.68538605       0.08196977       4.14936856       0.18908414       1.91916407      -2.48967225 
O       0.63887414       9.89793666       2.99607523       0.22309044       0.38251438      -0.75752843 
O       9.97196446       1.94763547       9.10491976      -0.69600274       1.02317834       1.47932151 
O      10.45484473       4.03690088       0.09370778      -0.40085312      -0.49510601       0.95798848 
O       1.51346706       9.54467236       9.33069888       3.04320918      -2.32162499      -1.78655917 
O       4.28721397       2.42467469       2.53397405      -1.83560111       1.42993829       0.34023771 
O       3.11259451       5.85574732       4.78533928       0.34123255      -0.75877905       1.14608577 
O       1.08837597       7.66552360       4.02811472      -1.12501674      -1.42165464      -2.03468074 
O       5.71314933       5.96104622       4.69326126      -0.54380001      -0.81637460       1.95093249 
O       4.84758163       7.30571986       7.75927774      -1.99211080      -0.47735082      -4.29962815 
O       6.37678727       3.74232781       3.19638370       0.71518887       0.44240728      -1.19605595 
O       1.85199385       3.18920070       1.85170844      -1.28965270       0.02847079       0.86605431 
O       9.77448061       5.16583026       5.56008145      -0.78243414      -1.34228183      -0.72256415 
O       2.82984456       3.09101108       4.69929859      -0.76405809      -1.75110431       0.41179693 
O       9.48009177       4.77716064       8.67223954       1.58791360       0.62707816       0.31582915 
O      10.57870692       7.17207391       6.73136530       1.21396155       0.44126508       1.74702609 
O       2.18757086       7.97738543       6.18865823       1.44919519       0.07034231       1.51620495 
O       5.61744300       5.13886620       9.04063707       2.30421635      -0.85930793      -1.87440902 
O       6.65183940       1.76671853       7.73119428       1.34603368       0.43901842      -0.66738399 
O       4.31560130       0.88701520      10.59366894      -0.30498825       0.77994729      -0.04963052 
O       5.37447977       3.01499418       5.53073280       0.51665922       1.18830429       1.00394669 
O       9.96744876       9.99688850       8.22291770      -0.76231650       1.31013304       2.20184738 
O       8.56109199       2.99875057       4.43843062      -0.79121544       0.53014501      -0.02414671 
O       4.73322277       5.74749462       2.37093015      -0.50857968      -1.32936716       0.51949098 
O       1.92296569       0.92495081       0.10374622      -1.91704545      -2.80430093      -0.25278675 
O       7.09805642       8.88232633      10.48554055       2.20102207       2.21615874       0.70226772 
O      10.49063446       9.48345811       5.64102801       0.50779190       0.28792765      -0.81509244 
O       2.25260601       3.42245225       9.77414178      -1.19598691       1.41242876      -1.02699433 
O       7.39351070       6.02975332       2.69923242       0.76100262       0.26785340       0.15407678 
O       3.38951904       0.10802135       2.59172165      -2.49203941       0.62057118       0.98207670 
O       6.30420847       0.30965191       1.93486253       0.81558788       1.06780595       0.13273572 
O      10.02549274       6.24501458       1.72157311      -0.05325076      -1.42030943      -0.94158842 
O      10.63519236       7.49858119       9.59456375      -1.90423022      -1.70791604       1.76015111 
O       1.92920777       6.25216979       1.71678198      -2.16859599      -0.50410099       0.73788602 
O       8.95399515       2.01181503       1.93377602      -0.97401135      -0.55039459      -1.47401682 
O       9.52197171       8.47646979       0.96469779      -0.60527398       0.45032141       0.28455062 
O       1.39848548       1.47340719       8.27828059       1.73418060       1.53021461      -0.78503468 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0013118890656078162 -0.020524479900087683 -0.007426695406439425 -0.020524479900087683 0.020466107758848155 0.0060266759947967905 -0.007426695406439425 0.0060266759947967905 0.017103487346056274" pbc="T T T" energy=-952.01344217 free_energy=-952.01344238 config_type=amorph 
Hf       9.37715955       2.31324270       0.37930068      -2.49589544      -1.00848083      -1.63606984 
Hf       3.88058956       7.16041559       1.18701157      -2.04569583      -0.76274477      -3.01519931 
Hf       7.11909790       7.98323158       1.93983290       0.25515296       1.50844418      -2.73980097 
Hf       6.83190271       0.35646791       0.81702130       1.36588892      -1.38165323      -0.45466447 
Hf       3.33599066       4.28306880       9.36950430      -0.36184311       1.46249911      -0.69743227 
Hf       0.25413887       3.94429546       8.88708608       1.76147897      -1.06660212      -1.56138596 
Hf       0.54959847      10.73065941      10.07075660       0.97402306       0.94582464      -0.02570994 
Hf       4.06185651       7.57108627       5.56957751       0.36344728       0.64230615      -0.07378158 
Hf       4.83975278      10.11648957       3.62986121       0.41389842      -1.08458028      -0.86294474 
Hf       0.86292971       4.18062001       1.49536483      -1.04504768      -1.04905322       2.47257008 
Hf       0.11744305       7.90253558       1.86084917      -0.17647485       0.47075502      -0.48374488 
Hf       1.93161213       1.81259828       3.88354640       0.89791532      -0.53985759      -0.87369465 
Hf       8.27158048       5.50748770      10.23773202       0.41321617       0.21638003       0.58333783 
Hf       9.28743584       6.36533977       6.97025684       0.54319273       1.66912540      -1.69118827 
Hf       3.75278184       1.59587662       0.99094989      -0.69584146      -0.14032212       1.75056215 
Hf      10.06835887       3.28537526       5.44040406       0.02547765      -0.85580196      -1.88048503 
Hf       9.91158702       0.66019571       2.95145808       1.63371061      -0.41201024      -1.96534735 
Hf       5.64038521       7.15828101       8.99475721      -0.08183311       0.12053125       0.57742488 
Hf       6.83840849       2.04479590       3.66244637       0.18923302      -0.21955200       0.81107628 
Hf       4.23312008       4.60209354       3.98936000       0.34613339       1.09342412       0.93847720 
Hf       5.91227119      10.73452471       6.78823657      -1.13843726      -0.88102267      -1.92404646 
Hf       1.46211690       7.61919201       7.96573937      -0.84494233      -0.74160041       0.06710425 
Hf       0.84399903       5.92956864       4.53053589      -0.87083487       0.00301527      -0.91901682 
Hf       3.91816235      10.29424189       9.36113643      -0.52943340      -2.30691846      -0.87582382 
Hf       1.48879283       9.58100665       4.74871643       2.13364846       1.06864260       0.92239465 
Hf       5.79778423       4.34379929       0.85548203      -0.21916096       0.17631375      -0.03858155 
Hf       8.57792195       0.90890716       8.16477102       0.99892773      -0.24669138      -0.38273159 
Hf       9.17079215       8.64067282       9.86892846      -0.52223711      -2.79123450       1.99237993 
Hf       7.30929269       5.26573582       4.40889024       1.19984324       0.51843106       0.94108556 
Hf       8.97045969       9.56536307       5.09938888      -1.98156118      -1.98651673       0.48006447 
Hf       6.33733752       3.77623983       7.34283809       0.21926985       1.75661286      -1.31769463 
Hf       3.26108979       2.23238777       6.80404007      -1.69305126      -1.12215260      -0.50199257 
O       9.60790481       9.26898003       2.88836817      -0.33039912       1.61233430       1.01156341 
O       4.18382894       0.71252512       7.73311325      -0.18194277       0.06831546       0.61451460 
O       1.79267718       5.66882931       8.48525867       0.63655444      -0.48858779       1.68481058 
O       5.52247176       0.84789973       4.83113989       1.22522219       0.37163417       0.00582788 
O       4.60780193       8.21589081      10.33845638      -0.98584768       1.01600012       0.01705616 
O       1.99794082       7.61160895       1.09807874       0.59787275       0.47640234       0.36478941 
O       5.39671643       9.36431561       8.14367353      -0.04930332      -0.04598285       0.84764721 
O       7.82186065      10.22320349       6.91688990       0.96648992       1.57151579       0.23854622 
O       5.49109307       9.20403542       5.32003685      -0.25128787      -0.57987921       1.28330283 
O       4.38375732       3.16473404      10.71154852       0.10281028      -0.20394588      -0.07683770 
O       3.32508783       8.83624921       3.97832646       0.06692669       0.03702584       0.85976431 
O       7.48921280       5.25862317       6.44320367       0.18604129      -0.35834883       0.56469031 
O       5.03687795       8.22504153       2.22422585       2.40811451       0.62833508       1.36931769 
O       4.36912946       3.82694545       7.53638901      -0.26225921      -0.34561873       0.52997062 
O       1.01988861       3.87738183       4.06020319      -0.84917061       2.04466964      -0.46133741 
O       6.71779115      10.02542489       2.53077338      -0.85668208       0.38376550       0.14181763 
O       7.73846359       7.33034589       9.17821443      -0.13471122      -1.00115165      -0.97273512 
O       7.87443389       1.08202392      10.12281460       0.30193916       0.41834706      -0.87810249 
O       2.41342424       0.61949239       5.56893883       0.03244500       1.08346843       0.25470585 
O       6.82666060       6.17173967       0.73758193      -0.70617853       0.25520541       0.46963633 
O       0.46268276       3.75714903       6.79688855       0.16808815       1.21905102       1.97364275 
O       7.49103971       3.58965283       0.06077077       0.19092201       1.33627641       0.26351318 
O       9.43043466       2.03915993       6.85182424      -1.50895249      -0.33699324       0.42229615 
O       4.53040854       5.69598346      10.45137959      -1.02224968       0.25915099      -0.29586505 
O      10.27483570       0.51218343       0.74639480       0.55243510       0.44642809       0.72675813 
O       8.41106118       7.83350877       5.97569233       0.83011003       0.19383381       0.03222486 
O       0.03851078       1.72329124       4.40934816      -1.92109296      -0.86239326       0.43472360 
O       8.42088304       0.57247196       4.26890124      -0.68905013      -0.60921409       0.79235264 
O       1.32273065      10.77154817       3.16818842      -2.36371885       0.55932937      -0.62397764 
O      10.42373007       1.87626520       9.32825902      -0.06406851       1.08642745       0.65416221 
O      10.00069203       4.17789507       0.08797605       1.11497534       2.34779951      -1.56661076 
O       1.98354474       9.49120901       9.04110704       0.28162617      -0.44026926      -0.16698160 
O       2.29660902       2.72940605       2.02482595       0.84925200       0.11914899      -0.60881102 
O       2.81317755       6.03003309       4.73052485       1.07433038      -0.36751859       0.15753587 
O       0.78525710       7.99215214       3.87197840      -0.74539255      -2.36552339      -0.68936501 
O       5.32185377       6.15116372       4.73728185       0.79892045      -0.06422860      -0.36233309 
O       4.50041752       6.87093567       7.46325100      -0.66542712       0.19634899      -0.77207079 
O       6.20538202       4.34825941       2.88713348      -0.28880766      -0.62929742      -0.21612611 
O      10.40156637       2.70998619       1.98240525       1.25732243       0.10821295       1.35097549 
O       9.54997005       5.38303502       5.06860577       0.99272275      -0.20765238       0.09222645 
O       3.22069935       3.01028230       4.86292742       1.69141570       0.97978193       0.98656983 
O       9.35868398       4.98093934       8.49606541       0.17477486      -0.67248738       0.78935698 
O       0.61058518       6.62934263       6.40063674      -1.66635002       0.08601770      -0.14345990 
O       2.36900022       8.57564614       6.41002923       0.94081626      -0.94135143       0.32918029 
O       6.39759794       5.13395293       8.91180700       1.04356663      -0.74249319       0.25007297 
O       6.57266243       1.80603952       7.42164106       1.69580240      -0.69048971       1.08744773 
O       5.05821396       0.21990833      10.78589995       0.01605851       0.37108418       0.59221147 
O       5.90001881       3.65904681       5.24803083      -0.33481407      -0.26695217      -0.44254644 
O       9.81032528      10.14312251       8.87643426       0.60034017       3.15439010      -1.20619901 
O       8.27612973       3.25392600       4.24305007      -0.09203431       1.25601871       0.16036259 
O       3.94250839       5.37487136       2.12024914       0.18702706      -1.23852073       0.41811396 
O       2.61746208       0.68091074      10.50810778      -1.49759898      -0.44832857      -0.29927300 
O       7.62711336       9.31692487       0.07844504      -1.11988057       0.87653906       1.91778386 
O      10.67779392       9.76088008       5.81332022      -0.39159349       0.56065706       0.38796118 
O       1.73989116       4.02055055      10.62789623      -0.12231370       0.43132371      -1.72666143 
O       7.92211666       7.06164853       3.32932029      -0.61184873      -1.89495089       1.38816641 
O       3.66604352       0.66749369       2.86404037       0.19684785       0.40628506      -1.06190322 
O       5.73327930       1.99986815       1.82988584       0.09138395       0.03365384      -0.06199206 
O       9.29940911       7.11462888       0.53557802       0.11768001      -0.56588752       0.09329693 
O      10.34109067       7.56839118       8.51500988       0.63050933      -0.33038934      -0.76597590 
O       0.47158888       5.99432108       2.29385704      -0.40465960      -1.89462837       0.96688963 
O       8.23215126       1.47691792       1.96442842      -1.15339227      -0.04108668       0.02507655 
O       0.03315696       9.11005395       0.20179915      -0.12972163      -0.41898087      -0.79378645 
O       2.16393135       2.83202300       8.36639376       0.36048775      -0.07550086       0.11140462 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02508974543638529 -0.008371260993249917 0.008562423113595343 -0.008371260993249917 0.0034650920803150445 0.014751023397282619 0.008562423113595343 0.014751023397282619 -0.01033885020849257" pbc="T T T" energy=-939.8964952 free_energy=-939.89650304 config_type=amorph 
Hf       9.46759783       2.37890600       0.23838510      -3.68885494      -0.32566003       4.64278614 
Hf       3.69015691       6.98240696       1.16818674      -0.38673660       0.46374362       0.28012493 
Hf       7.16848827       8.08167469       1.66425835      -0.56194889      -2.29493896       0.70759517 
Hf       6.87549469       0.42204153       0.60336255       0.03949155      -0.36497226       0.83965569 
Hf       3.47985364       4.44538520       9.27256784       1.05275395       1.72052091      -1.09386721 
Hf       0.28807565       3.93281985       8.82714952       2.83636041      -1.23229304      -1.44463430 
Hf       0.74635376      10.75129171      10.28260093      -0.87834905      -0.37104793       0.85200303 
Hf       3.95769861       7.59820406       5.62261736       0.40104782       0.28794542      -2.24331521 
Hf       4.92538484      10.13161813       3.51226868      -2.72316861      -1.54644549       1.16631492 
Hf       1.11340771       4.41650033       1.59229424       0.91035837       2.19632693       2.06593920 
Hf       0.31043812       8.17823172       2.00866343       1.09693989      -2.89264699       3.32270700 
Hf       1.84361513       1.76867474       3.68319852      -0.04566116       2.88942543       0.90987828 
Hf       8.55711574       5.59123563      10.59420253      -0.53601612      -1.30877458       0.86422456 
Hf       9.29087601       6.06906052       7.10118610       2.17333075       0.38784667      -1.21013825 
Hf       3.68662197       1.88588828       1.08357247       2.38736636      -1.46415274       1.41436279 
Hf      10.02142073       3.38881446       5.15978413      -1.11075180      -0.22340509       0.79676614 
Hf       9.66932186       0.20956634       3.02832894       1.02583206       0.59328047      -2.09162369 
Hf       5.55051580       7.38468394       8.89394340       2.07524186      -2.78180754       1.75880945 
Hf       6.77977143       1.96641655       3.67657821      -0.53887365      -0.03745287      -1.35041782 
Hf       4.35468268       4.37330916       4.13949036      -2.03328577      -0.43542005       0.88687975 
Hf       6.00339310      10.71411649       6.72364881      -1.58537513      -0.57104756      -0.36150721 
Hf       1.46401546       7.72047905       8.04202725       0.47564564      -2.61815986       2.68337180 
Hf       1.08158836       5.97704470       4.61534536      -4.64063006       1.82421770      -1.07482421 
Hf       3.96519699      10.13352798       9.38111898      -0.09037912       1.05055929       1.17502517 
Hf       1.24161929       9.80920707       5.02512800       0.85705922      -3.28287426      -1.03635201 
Hf       6.00898825       4.31802085       0.96652155      -3.99349771      -0.99567989      -1.92028280 
Hf       8.82277668       0.89999138       8.20360228      -2.90993711       2.28633317      -1.69598528 
Hf       9.10156775       8.48773793       9.79929684       2.65234915      -0.03930366       1.05798546 
Hf       7.32281983       5.64469421       4.40181949       0.11237129      -1.14737069       1.78662169 
Hf       8.37227161       8.99449210       4.81825480      -1.11717856      -0.18398111       1.71229739 
Hf       6.15350337       3.61820159       7.08924779      -0.57496472       3.14178831       0.19967895 
Hf       2.93670602       2.00505966       6.96958614      -0.29200631       0.24431526      -4.68682016 
O       9.32955180       8.95143327       2.58427027      -2.21659593       1.95885615       2.09079678 
O       3.82979590       0.47262816       7.70095855       2.65153957      -1.25460247       0.13572869 
O       2.36858518       5.97939033       8.31563278       0.59662150      -1.62910065       1.71019432 
O       5.54150882       0.73432024       4.69089946       0.44033304       0.67123332       1.82789474 
O       4.33015154       8.28819223      10.18825187      -0.61146569       1.36106628       0.05528158 
O       2.05345407       7.86857949       1.04014713      -0.69006484       0.76375841      -0.64021023 
O       5.82264432       9.34677042       8.34876509      -0.52458873       2.51236484       0.00799574 
O       7.86027741      10.38310566       6.72548386       1.42947610       0.93658230       1.17025797 
O       5.81384936       9.18619310       5.32891692       0.50860181      -0.15231124      -0.13809669 
O       4.54381637       3.09328017      10.65000749      -0.55734968       2.14509043      -1.21162066 
O       3.45272044       9.20097197       4.51299700      -0.85094398       0.27722014      -0.23787994 
O       7.76875958       4.68446174       6.32652480       0.15096403       0.84768068       0.69413923 
O       4.83063170       7.99601690       2.35217394       1.31350456      -0.30005677       0.34957126 
O       4.12976208       3.50117879       6.98235821       1.67355589       1.22561540       2.65242685 
O       0.80150701       3.92947630       3.90151791      -0.98016001      -0.47722223      -0.31600311 
O       6.28938844       9.81915866       2.05816616       1.02689526       2.06408688       0.28011827 
O       7.99913420       7.18367697       8.84891283      -1.59496074      -1.64224696       0.73094178 
O       7.93087590       1.46506397      10.13435991       0.01797115      -1.34407380      -2.60240892 
O       2.08769048       0.79489592       5.32403536      -0.54190137      -2.45810466       3.91228222 
O       6.79439332       6.16051376       0.60206608      -0.40358620       1.22583883       0.56412878 
O       0.11213081       4.47412558       6.89172409      -0.33759859      -1.46506651       0.04839397 
O       7.65117366       3.78920613       0.21776843       1.54589816       0.08054814      -0.79369154 
O       9.53674146       2.13179456       6.91949673       0.39766607       0.15209830      -0.82938472 
O       4.53195015       5.88750121      10.56594353      -0.93278824      -2.35778079      -0.69852010 
O      10.61688636       0.91000605       0.87381451       0.20678455      -0.25954693       1.26403229 
O       8.27962374       7.45290901       6.17898390      -0.39415709       1.07948576      -1.53724613 
O      10.64279301       1.45652261       4.24300382      -0.11892046       1.59740869      -0.38031476 
O       7.97608722       0.16883815       4.04577900      -0.28954062      -0.71825976       0.33400533 
O       0.76490500      10.19038970       3.11221595       0.25998800       0.98951755      -0.42441079 
O      10.32617609       2.12246102       9.45806149       2.43574861      -0.66157626      -3.69464853 
O      10.10134245       4.17000423       0.78614656      -0.30300044       1.22018972      -0.44211916 
O       1.93981097       9.96198540       8.80489137      -0.26379226      -1.92433862       0.63730034 
O       4.16136202       3.29760614       2.57552840       0.71879877       0.07188370      -0.40191516 
O       2.94024118       5.91077453       4.90334338       2.68482895       0.04223361       0.71157944 
O       1.09416991       7.86360499       3.83429401       1.08051064       1.27851110       3.13873805 
O       5.45238644       6.22671683       4.99268484       1.25374146      -1.37606107      -0.62302157 
O       4.40766412       7.52766234       7.47029613      -0.94359224      -0.27186407      -0.61563425 
O       6.33590655       4.44315683       2.82194819       1.41590129       2.15800607       3.26025105 
O       1.96752607       2.54294596       1.83491657      -2.12855252       1.15788930      -1.28445566 
O       9.66920537       5.49596996       5.01848824      -0.69939772      -0.81694257      -1.18227572 
O       2.94693684       3.05833940       5.02918795      -0.02622612      -0.49764921      -1.25243453 
O       9.49827455       4.87386260       8.98158931      -1.74296524       1.10594250      -0.35628729 
O       0.49219513       6.89769053       6.38923300      -2.08351122      -0.93304910       0.27998607 
O       2.17040988       8.37060723       6.53361296       2.88256272       4.04810740      -5.40930465 
O       5.69760356       5.20231740       8.46026699      -0.33256860      -0.72606320      -0.34249959 
O       6.42586378       1.90330569       7.80063407       1.61606822      -3.35391431      -0.34069912 
O       5.02034360       0.36760805      10.82713307      -1.13597692      -0.86272330      -1.33703071 
O       5.84621804       3.32503963       5.10300253      -0.12154668       0.20557817      -0.84385961 
O       9.62355480      10.29513536       9.16045907       1.96039167      -0.16474756      -0.24198121 
O       8.22808815       3.05924623       4.14817078       3.32964620       1.83839369       1.08098183 
O       2.84309041       5.42341581       2.13987701       0.11493111      -0.12890414      -0.25732158 
O       2.48226367       0.74373977      10.77007735      -0.21862586      -1.21531459      -0.71416862 
O       7.66239154       9.13758091       0.12180806      -0.93692272       3.07172828      -1.61841825 
O      10.10977177       9.74258874       5.35757783       0.41574808      -0.29448985      -0.43833214 
O       1.56694203       4.31534617      10.44630500       0.88271164       0.70512300      -0.47275465 
O       7.48194229       7.43870661       3.51873234       0.77659107      -0.60987629       1.14484700 
O       3.43938557       0.75302597       3.13388134       1.59961247      -1.41418149      -2.62338977 
O       6.01532587       1.88651231       1.72869206      -1.24078623      -0.11681890       0.29535664 
O       9.00429669       7.15495104       0.77298648       1.67033946       0.56219106      -0.87977451 
O      10.54126984       7.49991066       8.66549198      -2.92398223      -0.14100612       1.34979070 
O       0.27174583       6.20984659       2.52268625      -0.14799509      -2.65332602      -1.35386453 
O       8.31439103       1.45115631       1.79390406       1.29580361      -1.25216250       1.18634491 
O      10.84592749       9.12631374       0.39991257      -0.73101369       2.73796835      -5.12567210 
O       2.16780251       2.96298352       8.39888067      -1.76568963       0.47127880       1.76217505 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.011087658045546735 -0.007054964304969093 0.002772745097092856 -0.007054964304969093 0.026313762086322915 0.00981611944390195 0.002772745097092856 0.00981611944390195 0.02908770425493404" pbc="T T T" energy=-954.19116818 free_energy=-954.1911683 config_type=amorph 
Hf       9.22025689       2.51150691       0.38878296       0.66825383      -1.00314062      -0.12670327 
Hf       3.78963951       7.16657907       1.14023714       0.81136910       0.23775103       0.04164856 
Hf       7.11817696       8.05668475       1.74710260       0.75573286       0.29325885      -0.65790013 
Hf       6.80210970       0.41938227       0.60560438       1.65250795      -1.27960697       1.44750465 
Hf       3.33607078       4.37579407       9.16712520       0.73678414       1.44593834       0.93465141 
Hf       0.27794112       3.88619600       8.77491956       0.83685241      -0.60790354       0.23124228 
Hf       0.52138137      10.69316566      10.14126097      -0.07282078       1.52629192      -1.00554502 
Hf       4.14657262       7.55193239       5.70759825       0.68933011      -0.47098136      -0.86284221 
Hf       4.86577885      10.07348123       3.52412426      -0.21215382      -1.73233971       0.47410397 
Hf       0.85209028       4.08475410       1.57884570       0.14986218       1.41844263      -0.08449220 
Hf       0.11632538       7.99162702       2.08733395      -0.78205520      -0.39702178      -1.05584801 
Hf       1.89378813       1.71640059       3.69848092      -0.27899956       0.67341844      -0.75938426 
Hf       8.34956130       5.52419010      10.30936176      -1.05927648       0.77964554       0.84967015 
Hf       9.47829699       6.21381318       6.99008338      -0.21817816       0.36606003      -1.11527704 
Hf       3.89582918       1.69167555       0.89812332      -1.49873875      -0.20715295       0.14399786 
Hf      10.06951181       3.35005410       5.27980252      -0.23560163      -0.95480902      -0.90010880 
Hf       9.84880967       0.45176528       2.86123910       0.13994883       0.12235769      -0.36974131 
Hf       5.64077517       7.35862878       9.14516234      -0.29893935      -0.50218457      -1.02145368 
Hf       6.89051425       2.03983509       3.68029781       0.87651835       1.53008733       0.99744783 
Hf       4.42472880       4.62337939       4.11550844       0.51532645       0.50765032       1.88201488 
Hf       5.86880720      10.63034185       6.73680021       0.81580100       0.07151298       0.38639611 
Hf       1.40079376       7.57318242       7.98816091      -0.38558248       0.16480292       0.66567759 
Hf       0.87108772       5.97594430       4.54710237       0.25550923       0.05711910      -0.40040999 
Hf       3.71762025      10.16960216       9.39673271       0.23583191      -1.00272384      -0.91582286 
Hf       1.50267670       9.63939391       5.09302944      -0.36057875      -0.95525398      -1.78739323 
Hf       5.75998997       4.47211151       0.98913536      -1.04664277      -0.02582086      -0.53718289 
Hf       8.65391573       1.06046861       8.13232418       0.58199897      -1.76802678       0.20381405 
Hf       9.12967574       8.62398409       9.83211465       0.77624365      -1.39957249      -0.47177495 
Hf       7.50859727       5.38913684       4.50972153      -0.24989297       0.76660638       0.32482483 
Hf       8.59154224       9.37799723       5.11092464       0.41536735      -0.58780354       0.69885193 
Hf       6.48207162       3.63151106       7.42202266      -0.22206705       0.42720089      -1.07278223 
Hf       3.29054202       2.07124754       6.67974818      -0.13209084       0.76677792      -0.44548482 
O       9.33301324       9.27262928       2.93205005       0.35460058       0.05979718       0.16181444 
O       4.14890065       0.58203587       7.75140069      -0.53824357       0.12876394      -0.42135091 
O       1.85568404       5.79078318       8.60322282       1.07805459      -1.34076388       0.10361360 
O       5.63607436       0.85991555       4.83257825      -0.59735434      -1.08396874      -0.43093251 
O       4.46863421       8.58795204      10.42878316      -0.71810916      -1.98512451       0.53067846 
O       1.92050032       7.61424553       1.34924959       2.16009733       0.14460067      -0.72459306 
O       5.37430173       9.31924987       8.23308979       0.17911451      -0.62770295       0.25393601 
O       7.85067474      10.22698791       6.91279151      -0.08678529       0.38544573      -0.52231602 
O       5.58124582       9.16438939       5.35059035       0.21690298       0.00255884      -0.00188732 
O       4.37550942       3.30723302      10.65912988       0.46057405       0.11265194       0.17128582 
O       3.29971358       8.85487797       4.27058333       0.80047948       1.47098740      -0.87976078 
O       7.80068434       4.93266870       6.53375572       0.53279805      -0.00574988       0.46300583 
O       5.10029322       8.19737540       2.33774877      -1.61089402      -0.85590306      -0.59069357 
O       4.44065628       3.59428274       7.60105613      -0.39398908      -0.35267974      -0.00183077 
O       0.97476653       3.99861266       3.93623732       0.25658471      -0.90549160      -0.81706676 
O       6.56771822      10.00193964       2.31335126      -0.14259074       2.19460976       0.13837071 
O       7.68386673       7.21144060       8.96598839       0.11531287       0.18854665       0.81612658 
O       7.95185463       1.31499125      10.12926143      -0.96267124       0.30070712      -0.92028285 
O       2.24709532       0.68873318       5.42108288       0.57311088      -0.40752194       0.87627215 
O       6.48238613       6.43630141       0.64219424      -0.14033934      -0.29760482      -0.47802282 
O       0.10924855       4.42140871       6.73417666      -0.21057130       0.48086184       1.26604544 
O       7.62111543       3.92872884       0.56389847       1.09699311       0.02856318      -0.22935596 
O       9.38890234       2.24669417       6.86071180       0.21813764       0.74962474      -0.91342012 
O       4.40638329       5.82350121      10.32142665      -1.23408800       0.94618712      -0.15360970 
O      10.07731385       0.47078649       0.58779203      -0.32472619       1.04608926       2.06579212 
O       8.22226241       7.44822210       5.92333133       1.46698647       0.83815573      -0.34356235 
O      10.78898880       1.68167283       4.25787997      -0.34274530       0.68163602       0.67886658 
O       8.27187100       0.50048917       4.31302790      -0.03820913      -0.11289863      -0.49618938 
O       0.98745045      10.63988394       3.12670322       0.48187376       0.17404260      -0.02649541 
O      10.35055210       2.05487745       9.35464976      -0.07247683       0.62151082       0.27046949 
O      10.15435418       4.34194611       0.08597696       0.12971088       0.14322011       0.34935241 
O       1.70718387       9.25983984       9.12317463       1.96004966       1.09216586      -0.08278182 
O       2.41771402       2.72329750       1.93126549       0.11081955       0.29799927      -0.08540743 
O       2.95448733       5.99545547       5.10450939       0.11404069      -0.67652982      -1.08064935 
O       0.92953794       7.89633096       3.90343808      -0.41233454       1.19174749       0.36376714 
O       5.55611443       6.16323784       4.86140819      -0.55052295      -0.28591373      -0.05287699 
O       4.77166841       6.76252252       7.43671208      -0.08466489       0.40260855       1.88873645 
O       6.24613268       4.31104629       3.00699000      -0.05281862       0.21181306       0.11991902 
O      10.63485256       2.52752982       1.82490364      -0.00404784      -0.12245691       0.71040995 
O       9.74271152       5.39276319       4.83016498      -0.53710074       1.38834877       0.56808910 
O       3.33515168       2.94107158       4.79058399      -0.15256261      -0.01603727      -0.19394476 
O       9.47411426       5.05924455       8.78279227      -0.07016631      -0.10517467      -1.75029417 
O       0.61893176       6.97013601       6.29076123      -2.22158377      -0.68595488      -0.07466025 
O       2.43021632       8.61589100       6.57621572       1.41374121       0.22603368       0.51184445 
O       6.56758458       4.65568207       9.13302905       0.78282646       0.45365370       0.32932187 
O       6.76535570       1.60136886       7.58502161      -0.44228915       0.67053686       0.27612480 
O       5.01297386       0.27600391      10.67026948       0.66488133       0.83036327       0.11075047 
O       5.99151819       3.44515171       5.36183461      -0.27861286       0.47292821      -0.77729748 
O       9.73469019      10.27117494       8.77843658       1.00359423       0.27798252       0.88012944 
O       8.36930196       3.49131579       4.17882893      -0.39670928      -1.26430364      -0.32761225 
O       4.06307383       5.33432611       2.26243547      -0.53515420       0.63099266      -1.39470884 
O       2.54764916       0.50603428      10.54334091      -1.08770298       0.74122125       0.24608945 
O       7.65858378       9.37217855       0.01493097      -2.02498256       1.70380901       0.76760370 
O      10.41821829       9.82800714       5.56729116      -0.39835262      -0.50017813       0.14763659 
O       1.78537476       4.03002913      10.36554224      -1.02992078      -0.79520643       0.61159137 
O       7.61526787       7.06070185       3.23961482       0.76338075      -1.23411279       1.28973118 
O       3.76112832       0.58993616       2.57519186      -0.45737337      -0.60929674       1.22460456 
O       5.80200985       2.21097338       1.79666266      -1.12304196      -1.20067767      -0.82132546 
O       9.05722092       7.19876743       0.56277766       0.02427307      -0.51811912      -0.10378278 
O      10.35056285       7.48506284       8.52494833      -0.90065870       0.14001911      -0.23036536 
O       0.22235405       6.02911638       2.42993850       0.14317908      -1.71292557      -0.38678292 
O       8.18118693       1.56855409       1.97925941      -0.37398582      -0.65252142      -0.19568371 
O      10.80989099       9.09207050       0.16960884      -0.46352350      -1.85024766       0.77800884 
O       1.91866570       2.78381228       7.82385659       0.14064347       0.53107552       0.85705371 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0009361346499058839 -0.009611594907876464 0.009710197513824563 -0.009611594907876464 0.016436583974649893 0.0043648797387319865 0.009710197513824563 0.0043648797387319865 0.006087186658066607" pbc="T T T" energy=-942.31707067 free_energy=-942.3170792 config_type=amorph 
Hf       9.41068672       2.49238430       0.59600356       0.71788779       0.37601876       0.13497151 
Hf       4.09388452       7.21681048       1.09941353       2.16732051       0.04697591      -0.50284765 
Hf       7.74583984       8.24173297       1.90801387      -2.47160659       0.30250496      -0.61811560 
Hf       6.75034830       0.37209597       0.62761903       1.54494580      -0.92284398      -0.28245072 
Hf       3.70589212       4.36416126       8.95988310       2.41478802       1.12837593       0.89278444 
Hf       0.52339262       3.93045587       8.78742533      -0.30381576      -0.21892632       0.99282244 
Hf       0.71292561       0.04565926      10.12103513      -3.37354598      -1.12363564       0.49649946 
Hf       4.13027982       7.53471996       6.00387002       1.43172723       2.43022050       2.17627350 
Hf       4.94319774       9.75526039       3.50036695      -0.00656813      -0.14507085      -0.34326448 
Hf       1.37527338       4.29912036       1.47970355      -3.35273204       0.53406565       0.44415557 
Hf       0.35518121       8.00377203       1.83219629       1.70937858      -0.01745341      -0.17755625 
Hf       1.55171337       2.18470358       3.63882434      -1.52796227      -1.35286378       3.85904951 
Hf       8.45928883       5.57760601      10.63346348      -0.15963354      -2.27506931      -2.10760588 
Hf       9.28879799       6.22392403       7.07697000       0.31009875      -0.80081113      -0.08148199 
Hf       3.73346674       1.42822312       1.00838510       1.48495178       0.26757888      -0.32080509 
Hf       9.74197177       3.49889494       5.50961131      -1.87811248      -0.52243565      -3.41399502 
Hf       9.86520473       0.41573778       2.92749548      -1.10308888       0.33468271       1.62847493 
Hf       5.73513357       7.06670119       9.03909828      -2.90701575      -0.47463079      -0.34801391 
Hf       6.79344784       1.90698187       3.62835153       0.47351312      -0.10586180       1.26645699 
Hf       4.03709022       4.77663791       4.19930968      -1.52035097      -0.99298501      -1.64645273 
Hf       5.81119292      10.71714172       6.68434824      -1.41919718      -0.90654312       1.79887037 
Hf       1.31114224       7.47021416       8.21882062       4.08188403       0.35649353       0.99692548 
Hf       0.84884380       6.16680035       4.77681085      -1.04938736      -1.94411851       0.13466391 
Hf       3.66812197      10.08672154       9.28147472       3.25673674      -3.61451597      -0.56319337 
Hf       1.37180564       9.65106493       4.85604590       0.46712645      -0.65591517       1.01577979 
Hf       5.72957392       4.25755493       0.82752537       1.03908048       2.08258878      -1.82297583 
Hf       8.57134712       1.08772199       8.20491525      -1.51207173      -2.47423858       1.29394748 
Hf       9.16850385       8.59718158       9.79532428      -0.94248095      -0.06918838       1.39018239 
Hf       7.09238267       5.36117335       4.17041883       1.93077763       0.98944387       0.40361014 
Hf       8.29235543       9.29300407       5.32673349      -1.42744485      -0.05639141      -1.75046384 
Hf       6.38683081       3.63937378       6.89600497       0.22768692      -0.21969629       2.41003678 
Hf       3.09666019       2.00958058       6.51837204       2.71918176      -2.16682358      -1.50495949 
O       9.34781242       9.32717426       2.61419073       0.84641099      -0.82788118      -0.68114523 
O       4.02411523       0.38179037       7.70300259      -1.29640396       2.01292790      -1.64608542 
O       2.13056822       5.65884048       8.93910326      -2.36801979       0.48171889      -1.20336003 
O       5.41506379       0.77773017       5.01966269      -0.41129714       0.79704924      -2.04934793 
O       4.53112203       8.37902655      10.25526298      -0.02791425      -0.37624123      -0.63525887 
O       2.51172448       8.10218757       1.45182995      -3.68080883       1.02828452       0.45878305 
O       5.03763919       8.93435642       7.70909930       0.34989312      -0.41900370       0.78628011 
O       7.69420394      10.08040237       7.06954327       0.81958218       2.59799844       0.85754913 
O       5.75113378       9.22453809       5.28764418       1.14735771      -1.80250337      -0.58067411 
O       4.70350152       2.98593343      10.48967378      -1.19026012       0.30947426       0.80135189 
O       3.29286419       8.88338417       4.70567768       0.86452691       1.17208928      -2.72653368 
O       7.72939180       4.98378154       6.11508661      -0.32575420      -0.27014553       2.34697632 
O       5.58068509       8.14306004       2.07011913      -1.94738702       0.86525082       0.94793871 
O       4.44134392       3.41324758       7.27525419      -0.00204749       0.12096441      -0.61707017 
O       1.24792955       4.39925174       3.90900457       0.27543976      -1.62784005      -0.67043097 
O       6.78884170      10.17122974       2.75317943      -0.58041319      -0.31562412      -1.89825566 
O       7.70344336       6.95578433       8.94785067       2.39208636       0.92748439       1.15571125 
O       8.13575360       1.29267502      10.17875005      -1.02544896       0.44827729       0.07750746 
O       2.14129757       0.68514722       5.08872804       0.34816132       0.83658754       2.09285187 
O       6.81032699       6.19066416       0.78724794      -0.42270715       0.28581218      -0.03780072 
O       0.13707070       4.35072293       6.69018983       0.60128913      -0.32182071       1.15190644 
O       7.69764877       3.87590699       0.54754532      -0.46067253      -1.77562253      -0.30690153 
O       8.90647305       2.53239173       7.04316633       0.74980060       1.25728939      -1.11331020 
O       4.61695091       5.74455830      10.48897659      -1.41725220      -0.51792772       0.36545196 
O      10.65982903       0.69478094       0.86956837      -0.91858901      -0.69379314       0.39531100 
O       8.40539090       7.70832904       6.38569459      -0.85460737       0.37900420      -0.16038632 
O      10.60893559       1.77244570       4.62039791      -0.62508287       1.70327057       0.16327936 
O       8.14988174       0.56081364       4.27592683       0.96229624      -0.04810141       1.49279518 
O       0.88291681      10.55214151       3.20239552      -0.16619655       0.46571462      -1.45248378 
O      10.59431142       2.00976730       9.51318164       0.40821422       0.64949833      -1.19628616 
O      10.10661919       4.40738251       0.42950441       1.49007905      -0.54934876      -0.32306852 
O       1.80940738       9.22559887       9.38661610       0.48239618       0.64965272      -1.81588466 
O       2.57749026       2.72691061       2.13326592       2.57959558       0.41752719      -2.94024346 
O       2.90561502       6.21707139       5.30266754      -1.90602843      -2.76910742      -1.72479549 
O       0.84867509       7.82950885       3.86625363      -0.19057946       2.29264668      -0.70323623 
O       5.31482439       5.96629397       4.98519938       1.51656753       1.18842895       0.52564318 
O       4.41918598       6.34304504       7.68356709      -0.99566591       0.45757755      -0.12862855 
O       5.73857352       4.20168842       2.75300855       0.16349752       0.19225277       1.49150437 
O       0.02708814       2.68321549       2.19528007       0.47952623       0.65375355      -0.36205775 
O       9.45437793       5.70085232       4.83362806       3.14436156      -0.67125912       0.49346110 
O       3.15637627       2.98348576       4.73234395       0.17756762       0.10148131       0.98275574 
O       9.54236962       4.86660143       8.81039554       0.29694383       0.52599042      -0.23249279 
O       0.42405278       6.84630215       6.63195065      -1.63321080      -1.41169319      -2.09907090 
O       2.34036689       8.30049141       6.73251032      -0.58751460       1.02125290       1.35798863 
O       6.03916883       4.99461695       8.69894315       0.77849343      -2.17588262      -0.54742346 
O       6.54813226       1.71784514       7.59255017       1.39457894      -0.98025248       0.28355329 
O       5.13052688       0.19071253      10.36050196       0.42427917       0.54446698       1.45590847 
O       5.95920271       3.31897147       4.99327901      -1.55176856       0.68607170       1.14395216 
O       9.68090636      10.22290418       8.97722635       1.00498218       3.23568717      -1.41889269 
O       7.98023739       3.65851745       3.98058936       3.11307854      -2.50154253      -1.01144521 
O       3.76228354       5.63425581       2.39133089      -1.31164694      -0.78740312      -0.28775105 
O       2.64453611       0.51975574      10.43307099      -1.43275003       1.29488897       0.62071795 
O       7.60986596       9.44934481       0.10742241       0.21172292      -0.56325234       0.00089139 
O      10.12314822       9.60817362       5.29684441       2.79030639       0.79660153       0.29677572 
O       1.94052564       3.77644241      10.51355235      -0.11125622       0.12337844      -0.76623536 
O       7.55538830       7.34202202       3.55201903       0.51134012      -1.56442577       1.97674534 
O       3.69218727       0.14052313       2.44460339      -0.17328218      -0.50502767       0.10199359 
O       5.71844712       1.50613315       1.90514497      -1.39293597       2.00712777      -0.68453635 
O       9.21916550       7.04355412       0.71124472       1.40441610       3.56091039       1.26414559 
O      10.29025348       7.61309692       8.57346911      -1.31435896      -1.14997268       0.11885812 
O       0.63578171       6.09638609       2.04574985       0.17927394      -0.00079799      -0.98846892 
O       8.22698287       1.55684908       2.06780053       1.30387899       0.04348675      -2.04412267 
O       0.01507591       9.00439299       0.00767382      -0.71452846      -0.04221726       1.61258720 
O       2.24856255       3.00684637       7.84061285      -3.26648352       0.84729394       2.35025326 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.008631414589669189 -0.007549731454675837 0.006548132848650291 -0.007549731454675837 0.026760224748874333 0.00023051012304473145 0.006548132848650291 0.00023051012304473145 0.029563980453259156" pbc="T T T" energy=-951.8582118 free_energy=-951.85821204 config_type=amorph 
Hf       9.29956273       2.49072653       0.46914305      -0.74529672      -0.10202030      -0.13909488 
Hf       3.77494412       7.06870722       1.15650367       2.16610500       0.57998392      -0.18870388 
Hf       7.26094116       8.10883492       1.79386042      -0.12419331       0.32772660      -0.04593491 
Hf       6.84322133       0.36838146       0.63300519      -1.24748542      -0.21172489       0.40380406 
Hf       3.36059443       4.36599252       9.32030641      -0.07128860      -0.22236453      -2.07717762 
Hf       0.29801182       3.86598384       8.79838830      -0.17628312       0.65294282      -0.26829894 
Hf       0.50957703      10.83276611      10.20551403       1.36742066      -0.36096892       0.14245283 
Hf       4.29612813       7.58468137       5.86079977      -0.62575200      -1.21203288       0.66163696 
Hf       4.84907253       9.98914954       3.48979905      -0.53055046       0.68213132       0.57296264 
Hf       0.85384478       4.20434866       1.41173393      -0.95453545      -0.24539502       1.77994308 
Hf       0.04764597       7.94010783       1.88091498       0.17227362       0.99124767       0.29895028 
Hf       1.84552281       1.81046468       3.68317171      -0.10388278       0.56605245       1.79962297 
Hf       8.23997782       5.60188279      10.32721526       0.55634691      -0.53402586      -1.28706922 
Hf       9.50516128       6.15101455       6.81713849       1.31607416      -0.00921841       1.95046622 
Hf       3.69507984       1.65144329       0.90053409       0.18564499       0.29414572       0.96157958 
Hf      10.01524368       3.36632008       5.29871767      -0.02812331       0.32614655      -0.50729302 
Hf       9.89839046       0.49406014       2.99330512      -1.46874118      -0.01255290      -0.78981685 
Hf       5.59198863       7.29059141       9.18476505      -0.41604153      -0.80951126      -0.34556840 
Hf       6.93608427       2.01191100       3.56285629      -0.68574826      -0.60903585       1.43559659 
Hf       4.38685236       4.58599366       4.28511207       0.99582559       1.11707885      -1.96740047 
Hf       5.99770100      10.59932185       6.78227632      -1.04491156       0.50971162       0.13040525 
Hf       1.44801307       7.52637630       8.02494900      -1.12107408       0.71716330       0.55313357 
Hf       0.96369217       5.98178470       4.49421180      -1.18767484      -0.15090048       1.12716976 
Hf       3.72109537      10.13602093       9.31743045      -0.38320932      -0.23362374       0.08093067 
Hf       1.51262341       9.59675457       4.96027100      -0.70289675      -0.46387353       1.15896043 
Hf       5.75735785       4.43312870       0.86778261      -1.00694860       0.94436236       2.32862878 
Hf       8.66213096       1.07095292       8.19875296       0.12986857       1.29497746       0.32924330 
Hf       9.10859735       8.61663032       9.75378469       0.72983109      -0.08898286       0.37036075 
Hf       7.35803613       5.43842701       4.53790041       2.59480092      -0.88069664      -2.28708258 
Hf       8.60701125       9.33193705       5.16061540       0.16484358       0.06369063      -0.17240922 
Hf       6.41784223       3.69363996       7.31155819       0.71013484       0.14633082      -0.38637355 
Hf       3.25250675       2.10738696       6.64767534      -0.28489668      -1.06522767       2.37154932 
O       9.34930908       9.27507251       2.78018180       0.71285549      -0.22281674       0.60874991 
O       4.15377907       0.43216998       7.62111391      -0.42139892       0.91175814      -0.32488182 
O       1.96104731       5.69984930       8.60363959      -0.76105385      -0.23568748       0.77612865 
O       5.54843963       0.67216409       4.77509402       0.14473776      -0.67925836       0.50321990 
O       4.11278946       8.28526243      10.19931309      -0.04005691       0.96286178       1.02241786 
O       2.12284783       7.94967836       1.37238993      -1.40298085      -0.51002666       0.74036795 
O       5.47838059       9.21863126       8.28568691      -0.06628922       0.59001224       0.28372835 
O       8.04491678      10.46809763       7.06693785      -1.13900594      -2.23432778      -1.88123338 
O       5.83766366       8.89334152       5.62477875       0.05105119       1.15197129      -0.98312768 
O       4.58240683       3.19205766      10.66643969      -0.91328321       0.04460767      -0.22303957 
O       3.35245043       8.94085873       4.36583119       0.74785028      -0.25180794      -0.04036947 
O       7.82960938       4.94526208       6.44841223       0.11263548      -0.66027954       0.87237148 
O       5.25541197       8.08544662       2.22314770      -2.27621336      -0.28564754       0.02122258 
O       4.45539444       3.76297965       7.55879861      -0.60510769      -0.87083087       0.19745912 
O       1.08115606       4.05021165       3.88777094       0.39054784      -1.28439492       0.17207561 
O       6.53292727      10.11978937       2.50213266       1.19831287       0.00182787      -2.06313179 
O       7.64659988       7.23452970       8.99337628       1.00961486       0.91702101       0.76617651 
O       7.86334129       1.42103610      10.10955279      -0.07923077       0.03388102      -0.71243137 
O       2.17386991       0.67541492       5.60903898       0.50785958       0.54378442      -0.10285282 
O       6.38446793       6.49750513       0.41653410       0.76612329      -0.41989176       0.22330255 
O       0.10041821       4.55724916       6.76731365       0.05696733      -1.72885865      -0.03309429 
O       7.68792625       3.99119603       0.78820634       0.87888620       0.32174839      -1.69717076 
O       9.28874599       2.41032388       6.91303415       0.24290314      -0.35870645       1.09794855 
O       4.22228369       5.79790039      10.35963692       0.32765293       0.11013357       0.69787962 
O      10.39743661       0.43358152       0.97931144      -0.31284668       1.21818733       0.56052087 
O       8.50887440       7.47287538       5.80999373      -0.95475341       1.65906090      -0.56496101 
O      10.79396156       1.66171330       4.53282007      -0.28831014       1.55100221      -0.23333561 
O       8.14633128       0.40847596       4.09042427       0.97455357      -0.23202962       1.32936740 
O       0.95174485      10.81604232       3.39570022       1.41229370      -1.68610118      -1.11714558 
O      10.46255687       2.00856160       9.66775887       0.12611845       0.46193373      -1.38036529 
O      10.14856025       4.34800743       0.02521727       0.22852032       0.42393073       0.28301534 
O       1.70777554       9.46701126       8.96923824       1.70975051       0.83933994       0.53578127 
O       2.28963890       2.80356782       1.97377477       0.66954460      -0.82616547      -0.47738651 
O       3.05087609       6.02266944       4.92929009       0.26491187      -0.03651399      -0.10311776 
O       0.79023388       7.88303419       4.00961700      -0.11800737       1.76498259      -2.11907731 
O       5.70836319       6.14346536       5.18963706      -3.19898900       0.80110124      -0.03007857 
O       4.44176591       6.63178792       7.72559946       0.66917368       0.92338960      -0.89859121 
O       6.26679277       4.50319360       3.00006538      -0.95581863      -0.17283607      -0.57848980 
O      10.41356493       2.79930887       2.09656685       0.90012919      -0.02462481      -0.21750944 
O       9.71872917       5.41178788       4.74529776       0.50855257       0.28607548       0.43609786 
O       3.47875237       2.79379438       4.81996044      -1.20706487       0.68680442      -1.14377498 
O       9.49607885       5.12920816       8.72343717      -0.33255482       0.41763769       0.07155418 
O       0.58210416       6.94785865       6.34337062      -0.57324070      -0.78910847      -0.75198935 
O       2.55027477       8.43371114       6.68084076       1.13229706       1.00638727      -1.02197378 
O       6.75274245       4.87546913       8.95035946      -0.50425437      -0.82860479       1.29629142 
O       6.62819229       1.64783930       7.52075205       0.57940005       0.92689811       0.42170575 
O       4.88250014       0.48474582      10.70366507       1.94123405      -2.36580778      -0.97463949 
O       5.86113284       3.59973785       5.20080576       0.82724259      -0.78951778       1.37034018 
O       9.80020986      10.45288667       9.09110949      -1.42746336      -0.29983545      -1.13447465 
O       8.28531953       3.26747550       4.27096200       0.36643762       0.35133504      -0.13069834 
O       4.01386770       5.15145111       2.09494111      -0.38188345       0.72970230       0.39066146 
O       2.44470685       0.78480635      10.44637220      -0.31309400      -0.82779429      -0.40177516 
O       7.53976762       9.39183877       0.01125447      -1.04111531       1.44487970       0.40195069 
O      10.34469119       9.76722693       5.67358700       1.20515401       0.00781271      -0.60463856 
O       1.71866382       3.79136546      10.36839399       0.15457650       0.73832820       1.63870374 
O       7.74988177       6.98482782       3.23861734      -0.08112426      -0.18327531       0.47131167 
O       3.55921615       0.35343866       2.55149806      -0.09008589       0.85421901       0.09604465 
O       5.79140709       2.02956432       1.92464474      -1.68757257       0.08681479      -1.26242141 
O       8.95894381       7.36860773       0.67466084       0.84041052      -1.49119168      -0.87880705 
O      10.27883551       7.78456470       8.40911637       0.33542186      -1.19167213      -0.50038054 
O       0.24357389       6.01477577       2.31847123       0.86700300      -1.03827845      -0.89241113 
O       8.15279027       1.40150452       1.78601376       0.55260878       0.02566801       1.56745389 
O       0.02112485       8.96910851       0.06928368      -0.71122927      -0.67417140       0.47078090 
O       2.08036721       3.03951458       8.06883020       0.20792464      -1.59779586      -1.78296099 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.006283638638399985 -0.008933861269834852 -0.006385675391325746 -0.008933861269834852 0.014101130272840393 0.005607763690568515 -0.006385675391325746 0.005607763690568515 0.017639564872622065" pbc="T T T" energy=-947.84076752 free_energy=-947.84076875 config_type=amorph 
Hf       9.00706029       2.49397400       0.30434933       1.64227653      -1.01499479      -0.01619331 
Hf       3.94911959       7.27603227       1.12341195      -3.24820923       0.98119866      -0.82172085 
Hf       7.11489899       8.05666369       1.77292425       1.72475118       0.15149563       0.91411955 
Hf       6.76656564       0.31467514       0.88254813       1.90840630       1.67622851       1.13843015 
Hf       3.49274405       4.14519505       9.27420074      -0.01481290       1.15510018       1.63942302 
Hf       0.45245107       3.79309401       8.73255510      -1.37268596      -0.20280696       1.90827530 
Hf       0.61687340      10.73969267      10.13199897       0.79849507      -0.04421272       2.78549521 
Hf       4.21246629       7.49863753       5.77046701      -0.49858316       1.09194138      -1.73368263 
Hf       4.85858803       9.85205464       3.63666804       1.04549050       0.73444581       1.12121635 
Hf       0.69777186       4.05756000       1.46267111       1.01986927       1.44339460      -0.83764323 
Hf       0.13351372       7.95439675       1.90305686       0.10125556      -1.85729394      -0.11356823 
Hf       1.95262441       2.16997020       3.95349688      -0.87233503      -2.74439031      -1.52270983 
Hf       8.38426714       5.49932349      10.00222202       1.02092797      -0.37017332       1.34621483 
Hf       9.20151913       6.71096337       6.96340224      -0.69213282      -1.19039884       0.59500143 
Hf       3.93082304       1.59487165       1.11341726      -1.77519828      -2.12613872      -0.25290107 
Hf       9.90951118       3.08488766       5.51077674      -1.80056692       0.97753889      -1.99540477 
Hf      10.03795356       0.59512637       2.82475749      -1.19135195       0.83947406      -1.73908517 
Hf       5.60120622       6.96454726       9.04221775       0.83005066       0.77711909       0.07721923 
Hf       6.82675234       1.91654828       3.84698260      -0.40134251       0.75784379      -1.12043886 
Hf       4.46553114       4.72147488       4.18519337       0.13154171       0.09577628      -1.98656699 
Hf       5.87038876      10.66913499       6.89086904      -0.10755029       0.56711502      -1.66405106 
Hf       1.47978280       7.38423557       7.99777248      -1.00533153       1.92404303      -0.44095939 
Hf       0.86467910       5.98207587       4.41548472      -0.82920338       0.84640904       0.25813454 
Hf       3.89392769      10.09219651       9.40750602      -1.86556547       0.71866920       1.40613415 
Hf       1.47472070       9.66195365       4.93449474       1.82636785       0.33598744      -1.43043342 
Hf       5.65485782       4.78598914       0.88735348       0.47795082      -2.71099443       0.46321377 
Hf       8.54708945       0.96046848       8.15171201      -1.95385695       1.77524694       0.48244931 
Hf       9.04063804       8.71374992       9.94352970       2.05874203      -1.77115393      -0.63483774 
Hf       7.73757413       5.37014971       4.40254350      -1.49027183       0.54472768      -1.99114853 
Hf       8.66478556       9.63451278       4.91855684      -0.61510274      -2.40214648       0.73277063 
Hf       6.48858424       3.70360360       7.07832097       0.25879536      -1.61257899       1.39911602 
Hf       3.10552213       2.05063087       6.76791769       0.88589308      -0.10030071       0.88218127 
O       9.30791995       9.55590240       2.86091504       0.74183605      -0.71790854       0.46644857 
O       4.09774645       0.67107520       7.65091061       0.54133893      -1.82241233       1.17118288 
O       2.00581765       5.55382363       8.55402449      -0.27307427      -0.34054238      -0.72683918 
O       5.44899741       0.78197848       4.81707221       0.65813086      -0.95514888       1.09314801 
O       4.61735813       8.32533315      10.34524269      -0.44291072       0.44049606      -0.06710734 
O       2.07132473       7.77939175       1.28689651      -0.58517477       0.35009382       0.19058396 
O       5.30204482       9.39534212       8.29212517       1.85241054      -1.88082385      -0.94157901 
O       7.95116894      10.17496531       6.95634441      -0.35226503       0.70721554       0.36589003 
O       5.42886950       9.13214600       5.59002938       0.41244000      -0.51360434      -0.39709415 
O       4.64214831       3.19173718      10.79784998      -0.58354375       1.35981625       0.01539649 
O       3.30287691       8.79035839       4.18486225      -0.97019776      -0.48815559       0.25050996 
O       7.55138936       5.26137157       6.41276992       0.77123818      -0.09409906       0.51309705 
O       5.15750310       8.10249231       2.42819345       0.75960555      -0.44472493      -0.44015451 
O       4.45165410       3.49703611       7.63843839      -0.02639891       0.10262972      -0.47179984 
O       1.18914690       4.03378771       3.89067708      -0.62815628      -0.17692978      -0.56975141 
O       6.80749445       9.90946938       2.68645459      -1.21923209      -0.08105306      -0.41523909 
O       7.81229533       7.22657242       8.76718006       0.09216141       0.97223492       0.63875346 
O       7.76925050       1.10593603      10.10215386      -0.27513904       0.30383003       0.80482821 
O       2.29447389       0.64832233       5.62744909      -1.02633919       0.25443421      -1.44449448 
O       6.50414478       6.62925958       0.35802992      -0.20443917      -0.95565660       0.13674948 
O       0.44895467       3.57684167       6.74221102       0.55880974       0.40434065       0.00262939 
O       7.56815972       3.80075382       0.17726801      -1.97966105       2.76171211       0.43828724 
O       8.57902225       2.56046813       6.89058710       0.83963833       0.86888325      -0.72546489 
O       4.25682582       5.89573304      10.28550848       0.26099220      -1.73111870      -0.39987803 
O      10.35391573       0.85935721       0.75157806       0.99879945      -1.79685569      -0.85962352 
O       8.13924967       7.66202460       5.65907585       0.79012091       1.26776214      -0.65276388 
O      10.76480322       1.63751587       4.43815042      -0.03199214       2.58974058       1.56804859 
O       8.21533616       0.61979202       4.57633020       0.41182854       0.99043592      -0.31720029 
O       0.99402995       0.03562570       3.22737807       2.02382567      -1.56768665       0.03970016 
O       9.89724718       2.22151121       9.31390007       1.59738873       1.47490651      -1.25857110 
O      10.15582587       4.43153943      10.77256780       0.40843605      -1.39810501       0.86496142 
O       1.97187469       9.20172160       9.26350733       0.02045823       0.01168855      -0.73723341 
O       2.29293088       2.43018950       1.94905548      -0.58017617       1.60815485       0.93642213 
O       2.95718850       6.05079892       4.90415707      -0.75962723      -0.48299390      -0.30065079 
O       0.54549032       8.00676036       3.84474847       1.08661265      -0.51493285       0.76599022 
O       5.59599245       6.18648120       4.76203284       0.08652088       0.62254490       0.45871500 
O       4.54348623       6.53866942       7.45939384      -0.03301984       0.43285612       0.99334690 
O       6.12039320       4.30822027       2.84459510      -0.64591446       0.95328078      -1.22272393 
O      10.25739224       2.78697029       1.90381409      -0.05919073       0.68294246       1.82799075 
O       9.64550202       5.46463839       4.96759611       1.61828308      -1.21474996       0.44271954 
O       3.42363418       3.11341786       4.98024866      -1.25435917      -0.42902702      -0.34658292 
O       9.65949360       5.16683338       8.56883561       0.14150027       0.18690166      -2.52585994 
O       0.26207097       6.73527598       6.36006803       2.03203310       0.57030662       0.76936771 
O       2.51895025       8.53654608       6.50875178      -1.20801772      -1.14893933       1.41560948 
O       6.53234244       4.96814208       8.80784777      -0.42028944       0.30939268       0.68638507 
O       6.59401776       1.53157515       7.68868348      -0.35483206       0.83445368       0.05266575 
O       5.11631688       0.27203439      10.74261726      -1.41644457      -0.18482704      -0.36109576 
O       5.83361989       3.46963824       5.14848483       1.17464145       0.38567124       1.32764106 
O       9.79599043      10.63487796       9.09030351       0.97641321      -3.40944063       0.00971510 
O       8.30317152       3.37795984       4.09132774       0.46523280       0.92130497       1.12911120 
O       3.83417970       5.50493743       1.98376002       1.69187004      -1.74536439       0.93226094 
O       2.60447353       0.45682043      10.67766712      -0.73988814       0.31306990      -0.33921057 
O       7.61378815       9.53756904       0.19433074      -0.02251865      -3.02376779       0.11316308 
O      10.47136930       9.86864370       5.46513029      -0.40825811       0.02138733       1.23876719 
O       1.84001993       3.92929587      10.39256058      -0.74944444      -0.84671155       0.89844267 
O       8.13408986       6.77118937       2.82941389      -1.32087950       0.03452900       0.89595245 
O       3.75438934       0.27274635       2.82700280      -1.39020726       1.61075184      -1.84288617 
O       5.65945430       1.71552340       2.05337460       0.21499044       0.47579348       0.43898429 
O       9.33974690       6.89624685       0.35839817      -1.18555214       2.34226738      -0.95341662 
O      10.48674387       7.87473939       8.67753158      -0.23017355      -0.44714021      -1.31099083 
O       0.25553088       5.92227967       2.36762255       0.64927599      -0.59058883      -0.02134543 
O       8.02185700       1.44831401       2.16823036       1.24520352      -0.12084694      -1.93485912 
O      10.53132563       9.21395748       0.43427644       0.77181114       0.90881505      -2.22344161 
O       1.98862226       2.25960499       8.32510658      -0.60713699       1.81758211       1.10955001 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0014044838320486869 0.010523611155667165 0.00019328445190104724 0.010523611155667165 0.016248245581689618 -0.0010787091932080702 0.00019328445190104724 -0.0010787091932080702 -0.013013036465099317" pbc="T T T" energy=-932.45894638 free_energy=-932.45908218 config_type=amorph 
Hf       8.90104834       2.44487740       0.20033984       1.27269561      -0.70741475      -2.35971059 
Hf       3.99559731       7.73711480       1.61356033       1.30923929      -2.01686871      -0.51948874 
Hf       7.82044487       8.10035480       2.63216257      -2.98639891      -5.30536463      -2.42243763 
Hf       6.45705194      10.73703937       0.44807183       1.87891540      -0.60993112       0.12307471 
Hf       2.76804233       3.96768082       9.55806260       1.00790926      -0.28848172      -4.17636821 
Hf      10.13966042       3.82773080       7.46961913      -0.90014924      -1.27701158       0.62381598 
Hf       0.75575385       0.70136738       9.28673463      -2.28554721      -0.80827590       1.34078217 
Hf       4.30371434       7.16593388       5.92085391      -1.67513541       0.95689263      -3.32570218 
Hf       4.94881189      10.13895150       3.51089708      -0.16107967      -1.14362882      -1.86586902 
Hf       0.94753866       3.75257730       2.00718458       0.21321550       3.19559349      -1.30510343 
Hf       0.57005295       7.92852821       2.12508587      -4.14118744      -3.78908367       3.48781136 
Hf       2.22811894       1.29614417       3.50848643       0.95442736       0.99401613       2.87854882 
Hf       8.90178571       5.42557633      10.76553667      -0.86215467       1.65410036       0.73523383 
Hf       9.16873878       6.78711305       7.50308571      -1.10575960       2.37718539      -0.98611260 
Hf       3.50910426       1.88882666       0.69651459      -0.84068975       0.00027931       1.07662881 
Hf      10.16217499       2.34857962       4.38034028      -1.89583007      -1.31406406       3.26440585 
Hf       9.99720355      10.83677645       1.97849360       0.58467685       2.43956845       2.93975744 
Hf       5.77684502       7.55752635       9.15337616       0.61947708       0.65666262       0.95065434 
Hf       6.91891689       1.97890799       3.30945348       1.72621154       1.69932176       2.79067923 
Hf       4.70124763       4.40638535       4.09756374      -1.53913002       0.96860053      -0.52078202 
Hf       5.28681117      10.76134090       6.36888025       2.30263290      -0.37511103      -1.00734701 
Hf       1.81997985       7.49912726       8.55102445      -2.22779893       1.04213508      -0.31471658 
Hf       0.56018505       5.84986155       4.95990644       2.76989372       0.17430959       0.40905642 
Hf       3.85242783      10.45387721       9.08667445      -1.89850643      -2.15981418       1.84591486 
Hf       1.30802364       9.65096104       5.17209481       2.31107196      -1.43435897      -0.28820985 
Hf       5.87737711       4.90894168       0.83949994      -0.31574344       3.09365070      -1.42867501 
Hf       8.13574534       1.11138408       7.98377288       3.94683175      -0.46620029       1.82153859 
Hf       9.59943066       8.84764742      10.23475640      -0.87836828       0.17086369      -1.41233260 
Hf       7.65251366       4.81715559       4.77948184      -0.21302053       5.33624344      -0.02974890 
Hf       8.56769407       9.66988748       4.97903340      -1.61998853       1.74942902       2.10188240 
Hf       5.95657069       4.44707022       7.84377281       1.06092406      -1.52817417      -2.97100227 
Hf       2.46428271       2.34227782       6.60870479       1.07060431       2.46705630       0.56419501 
O       9.44809894       8.79870400       3.17400135       2.08131867       2.73806168      -0.47826574 
O       3.83198226       0.77781821       7.45224167      -0.37764859       0.01516059       0.38655079 
O       1.88569699       5.57184237       9.60332202      -0.60955816       4.60997207      -0.99693886 
O       5.83542334       1.01669836       4.72448807      -0.83798061      -1.52271357      -0.82443758 
O       3.84887074       8.11917408       9.50745892      -2.15974107       1.77019326      -1.52671208 
O       2.01340353       8.01190888       1.11081912       5.87942709       0.15750124      -1.77163236 
O       5.81433204       9.77655754       8.63872844      -1.12922868       0.20759296       0.51233767 
O       7.33539149       0.18638279       6.48572935       0.06476886      -2.17051611      -0.51515852 
O       5.41619828       8.87841988       5.87245331      -1.86340659       0.74565553       1.46635822 
O       4.36887043       3.47492854      10.70101655       2.67885253       1.39420086       0.80019713 
O       4.18556769       8.12393275       3.52826824      -0.60699702       1.24987069      -0.52101038 
O       7.55623531       5.45575094       6.91738690      -1.29820131       0.22425671       0.31904173 
O       5.34998250       9.35886550       1.45120061      -1.07529257      -1.42562082       0.11971471 
O       3.95425997       4.05097626       7.83086872       0.11392479      -1.24102283      -0.19065082 
O       0.79055978       3.77921067       4.11881507      -1.68466845       0.39821143       0.42013161 
O       6.66344713       9.18794260       4.01873026       3.20494545      -0.22016468      -2.39841563 
O       7.84918666       7.69059594       9.14239614       1.29503906       0.28342556      -0.56076871 
O       7.79281934       0.98738553      10.09349710      -1.74281387      -0.81953567       0.36193943 
O       1.54754800       1.05136794       5.48909734      -1.00581938       0.30765346       0.43529978 
O       7.47834493       6.48883611       1.15646404       0.53279678      -2.17900051      -0.27990814 
O       1.10318188       3.91841573       6.96013643       0.41893345       0.06847783      -1.50783498 
O       7.47891988       3.78964179       0.30763469       2.02331086      -1.10093071       1.25143064 
O       9.99212723       1.85328869       6.46121307      -1.24687860       2.35819492      -0.36920538 
O       5.43337945       7.01941684       0.20158148      -1.29193821      -0.95054493      -0.97535867 
O       0.00794783       0.96006419       0.34442733      -1.71169939       0.98312595      -0.59742376 
O       8.84651868       8.05701142       5.82100295       0.22144116      -3.37596738       3.23589051 
O       0.36331816       1.78847555       2.75790976      -0.97954309       0.75622793      -0.94547419 
O       8.96716272       0.47604835       3.97837282       0.03282793       3.55707155      -1.94587150 
O       0.94177448      10.48156039       3.37110643       0.43120195      -1.32867379      -2.16676321 
O       9.58523358       2.56135673       9.06196396       0.89509942       0.09341880      -0.96382511 
O      10.20751822       3.98870156       0.69385956      -1.08553970       0.22163568      -0.09109530 
O       1.64758884       9.64087461       8.90809184       1.41415133       0.84421709      -0.43901909 
O       3.37174652       0.51683017       2.24799173       1.88580338      -1.13381659      -1.35128037 
O       2.72409121       5.91148378       5.15654416       0.75815134      -0.67482503       0.16017952 
O       0.88842240       7.68586354       4.26295315      -0.49026834       1.12697445      -1.10150355 
O       5.69789755       6.12287388       4.80252078      -0.74636550      -2.16439470      -0.01303446 
O       5.13008221       6.50073208       7.58018401      -0.33611673      -0.19055033       0.50488215 
O       6.17281966       3.88547981       2.57234380      -0.89837220      -1.93719652       1.91023901 
O       2.79087836       3.11661809       2.35483690       1.24695113      -1.36056189       1.16281529 
O       9.34404928       4.90459154       5.71633350       5.23809502      -1.08761811       1.14745007 
O       3.48417860       2.90291863       4.89381671      -0.12509833      -0.08950019       0.42898649 
O       9.61875053       5.41107712       8.86183722      -0.26764624      -2.43183390      -0.01623474 
O       0.28761023       6.54283772       6.97315050       0.60202856      -0.52590562      -1.53429447 
O       2.42429319       8.36357046       6.34725123       1.31822067      -0.87891130       2.57710478 
O       6.57533592       4.91884019       9.48830634      -0.65493747       2.80773381       2.05940057 
O       7.12215245       2.62288744       7.73911617      -2.06471737       2.37653965       0.09673070 
O       4.79421979       0.62893189      10.63403127       1.37539801      -0.51285171      -1.35704133 
O       6.26552301       3.44937961       5.21232849      -1.65426249       1.03653487      -1.23895112 
O       9.78069392      10.55465617       8.84985289       0.20763293      -0.48894204       0.51264544 
O       8.43893609       3.27636469       3.82976105       2.39964513      -1.00813938      -0.06456802 
O       4.51110420       5.72699238       2.16741222      -0.83444998      -0.06968831       0.60308172 
O       2.55779758       0.80368046      10.16023746       0.72427280      -1.70426583       0.72318888 
O       8.11422706       9.38265374       0.82986199      -0.06570767       1.03255738       0.51737954 
O      10.41816151      10.11646450       5.35316124      -0.64586905      -0.21455094       2.94177390 
O       1.99810171       3.06440594       0.13438255      -3.65279519      -0.57570321       2.87853821 
O       8.63401385       6.44249855       3.48159696      -1.68420279      -0.90507742       1.10344205 
O       3.46265488      10.64554629       4.72089114       0.01433762      -0.11813857       0.65482086 
O       6.07762608       0.64926813       2.25613899      -0.46535905      -0.21218486      -2.09465425 
O       9.89739222       7.02849754       0.24595339       0.98872316       1.04218527       2.65867569 
O      10.68291997       7.77349480       9.02687869       1.57815161       0.37123339      -1.88710505 
O       0.85823031       5.77542544       2.29422496      -0.30309788      -0.27057919       0.67106535 
O       8.53637259       1.58874573       1.89087852      -0.63942591      -1.22361439      -0.08307291 
O       0.01382297       9.50305830       0.94810363      -0.54214133      -2.29428002      -1.92963527 
O       1.76555299       2.31425614       8.60304977      -0.40554360      -0.19377920      -1.80023863 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0022250120765212457 -0.015942352221595967 -0.006203664952392745 -0.015942352221595967 0.007357207811529689 -0.0023432849295512577 -0.006203664952392745 -0.0023432849295512577 0.020866620343833693" pbc="T T T" energy=-952.96377055 free_energy=-952.96377074 config_type=amorph 
Hf       9.30897791       2.38497926       0.33169369      -1.64353134       1.74950954      -0.96042869 
Hf       3.89366800       7.13192849       1.16792565       0.55959145       2.05649230      -0.87704088 
Hf       7.35323175       8.02647225       1.71849479      -0.96608617       0.15706247       0.98097707 
Hf       6.84271651       0.25658177       0.70419796      -0.42231264       1.42728342       0.36574060 
Hf       3.23383848       4.31345033       9.41762013       1.29111349       0.34903286      -0.61701447 
Hf       0.30412938       4.03163348       8.90430004      -1.56117154       1.02124758      -1.13836907 
Hf       0.70315564      10.61311529      10.11036963      -2.15246668      -0.62852633       0.90564529 
Hf       3.99463467       7.48055821       5.51708125       1.96268256       0.79125564       0.42687147 
Hf       4.94370962      10.06253704       3.55815559      -0.24244544      -1.88390538      -0.68479390 
Hf       0.79530825       4.25448877       1.61384282       1.12143688      -0.26934857      -1.06775960 
Hf       0.16303803       7.96829257       1.97292852       0.42913627       1.20595289      -0.65240598 
Hf       1.96924007       1.69448019       3.76731503       0.25874398       0.27024373      -0.13050470 
Hf       8.37663435       5.56115200      10.40250566      -1.06295256      -0.50614079       0.19310055 
Hf       9.31493284       6.28270776       6.93042257       0.17030561       1.71733346       1.62778116 
Hf       3.75092605       1.50795007       1.07643626       1.97733873      -0.22797829       0.07716639 
Hf       9.93149748       3.30935175       5.30663359       0.91517119       0.11390667       1.94562103 
Hf       9.97840728       0.58693133       2.88652237      -0.87094678      -0.73698440      -0.59697798 
Hf       5.61215421       7.28865854       9.03903879      -0.77186614      -0.28018251      -0.51138514 
Hf       6.94148748       2.07632050       3.58408167      -1.24427850      -1.65787005      -0.16297092 
Hf       4.31001244       4.55128305       3.96095813       0.11399614       0.07740520       1.87833382 
Hf       5.89724751      10.63025782       6.69837509      -2.01777259       0.26033577       1.03389340 
Hf       1.44032058       7.57996113       8.00580478      -0.57481065      -0.44333408       0.33040401 
Hf       0.77781528       5.96678924       4.48345054       0.62970704       0.92479831       0.90980000 
Hf       3.77610141      10.16101141       9.35069370       3.08985789      -1.13113455      -0.10014702 
Hf       1.55322556       9.60170919       4.97760134       1.59122262       0.12914771      -0.65460610 
Hf       5.68988338       4.36900190       0.81345010       2.05057734       2.47430997      -1.40545753 
Hf       8.60639841       1.08899403       8.13802583      -1.77744095      -0.20970164       1.43258947 
Hf       9.12799181       8.62073945       9.74683086       0.37834359       0.00448436       0.21645383 
Hf       7.41633317       5.34990032       4.48217014      -1.25122434       1.19409458       1.09480336 
Hf       8.87017263       9.63800940       5.15486522      -2.15783995      -2.23142656       0.03120757 
Hf       6.37397047       3.76236768       7.46951317      -0.49370610      -1.18906258       0.40166293 
Hf       3.24200496       2.15600783       6.83848991      -0.48211000      -0.65419951      -1.06617032 
O       9.52588879       9.31084270       3.07094777       0.24921451       0.62272731      -0.81224715 
O       4.00203361       0.50495820       7.66518847       0.30120317      -0.25404081       0.35482376 
O       1.79135118       5.72487355       8.66608843       0.75929220      -0.29022548       0.50263829 
O       5.57897239       0.72428744       4.68279790       1.35736242       1.29890702       1.21900570 
O       4.13524096       8.17750749      10.18029904       0.70567728       1.36888242      -0.24140546 
O       2.17022771       7.85825389       1.41212574      -1.64562384       0.13386059       0.18791240 
O       5.56165867       9.35021048       8.35523071      -0.18992383      -0.07094128       0.02894425 
O       7.79026592      10.36594621       6.86106485       2.01570957       0.73733601       0.10025365 
O       5.36783905       9.13753803       5.43024880       0.74585107       0.26444493      -0.07201970 
O       4.48441915       3.15364328      10.84841816      -2.09662028      -1.00008501      -1.25123675 
O       3.37399249       8.72915988       4.04141246      -0.83107106       1.29774554      -0.07213140 
O       7.53796916       5.17975213       6.63386083       0.49805501       0.50317602      -1.22433220 
O       5.19573519       8.38459977       2.11999022      -0.18897486      -1.51554797      -0.72826815 
O       4.40091461       3.50765885       7.87010676      -0.07470701       0.82004403      -0.29833335 
O       1.05438329       4.13459566       3.66640080      -0.41297010      -0.50757983       1.51640133 
O       6.78443782      10.05219288       2.50231407       0.30182600      -0.31880397      -0.35399416 
O       7.78782063       7.20913688       9.18247154      -1.43279647       0.59035371      -0.96746747 
O       7.77637651       1.32078323      10.13191321       1.18407451      -0.14171193      -0.35812287 
O       2.25796807       0.71002772       5.63937817      -0.60901444      -1.01986730      -0.95204072 
O       6.64637442       6.37553813       0.66088911      -1.38366769       0.10061301       0.20852206 
O       0.10362290       4.17492705       6.90467041      -0.77041522      -0.35622171      -1.95307054 
O       7.64565852       3.80926727       0.43065128       0.13007658       0.00819482       0.27624622 
O       8.98533182       2.33971909       6.75381061       0.06017568       0.60032057      -1.31545569 
O       4.18722318       5.79924267      10.31295880       0.67181128      -0.39575939       0.58928842 
O      10.30437402       0.53315206       0.66449092       0.70933956       0.43760198       0.77134510 
O       8.38743741       7.88319432       5.99615244       0.90207916      -0.77596878       0.04385529 
O      10.77311333       1.74534083       4.39912114       0.29537751       0.30452328      -0.32480820 
O       8.25556430       0.54665271       4.22470857       1.23700086       0.57942194       0.35799749 
O       1.10529898      10.67153990       3.23445001      -0.77672635       0.47704408      -0.35444116 
O      10.06470483       2.38106631       9.21702625      -0.00231449      -0.97540590       0.63993130 
O      10.11692426       4.65459708       0.19628684       0.63607977      -1.02417857      -0.33310418 
O       1.93620698       9.39301408       9.03828970      -0.88390601       0.05772250      -0.26181159 
O       2.49049453       2.73378312       1.93728762      -1.40932630       0.61566686       0.83165348 
O       2.85181806       5.99602998       4.85426101      -1.00790373      -1.63209931      -0.81393284 
O       0.78475956       7.91437477       3.89365747       0.17969665       0.31463371       1.35335732 
O       5.43310717       6.07016754       4.76476723      -0.11842924      -0.15022897      -0.94029330 
O       4.55810313       6.99969126       7.38735938       0.68071720      -0.76136798       1.51191142 
O       5.98680197       3.96248355       2.71901706       0.45302421       0.30925637       2.69457744 
O      10.42768211       2.84335889       1.91998475       0.63020959      -1.43244683       1.00697874 
O       9.52438063       5.51248987       5.03936036       1.37239217      -0.56750931      -1.09679858 
O       3.20121272       2.83486986       4.80867123       1.24755359       2.13282223       0.68139112 
O       9.33904938       5.12930087       8.70991785       0.67786899      -0.19634105      -0.87345195 
O       0.56347508       6.69269559       6.55216985      -0.71959281      -0.51402545      -3.30885851 
O       2.53163884       8.61066952       6.54425013      -0.80231930      -0.57968432      -0.04440906 
O       6.42437841       4.86814445       9.25082743       0.07939676       0.08502978      -0.90920055 
O       6.49806369       1.66480150       7.81120643       1.27239236       0.64910343      -0.95115653 
O       5.05113311       0.25557300      10.67745238      -0.26025247      -0.52835786       0.03301911 
O       5.75884039       3.60361292       5.37908711       0.60918765      -0.11235946      -0.55220539 
O       9.84772935      10.46460416       8.87408483       0.70834065      -0.36914421       0.46844774 
O       8.28205274       3.52269296       4.18800386      -0.58265820      -0.40127529      -0.75632000 
O       3.96109774       5.36656125       2.10823647       0.16125325      -0.70954204       0.23454153 
O       2.57564511       0.41440571      10.72320446      -1.59553686      -0.11745967      -0.90985435 
O       7.64514263       9.43512493      10.84643829      -0.59552505      -0.51915543       0.74660170 
O      10.62548427       9.83015453       5.72592205       0.68685146       0.49110822       1.02495314 
O       1.63946893       3.95131225      10.50178102       0.23751329      -0.60458343       1.37416208 
O       7.75160598       6.93394969       3.30316493      -0.10606991      -0.53018430      -0.31968871 
O       3.56318187       0.58016174       2.86842905      -0.36898694      -0.56785094       0.10145312 
O       5.71632014       1.62453677       1.91561094       0.37841768       0.00331052       0.20813459 
O       9.07331765       7.26725305       0.60422248       0.40399440       0.19525654       0.77607582 
O      10.23433431       7.65495341       8.38739355       1.24522434       0.28175155       0.08185616 
O       0.36156008       6.09222832       2.36061813      -0.70793196      -1.12635079      -0.06504409 
O       8.36777838       1.59118048       1.98719584      -1.91244007      -0.88394037       0.03530775 
O      10.80436315       8.87879975       0.09496364       1.16463830       1.58017730      -0.65281579 
O       1.97789346       2.80361971       8.14588247      -0.32664421       0.23688261       0.70551215 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.025626952470133062 0.010010160491539235 -0.00900325303885498 0.010010160491539235 0.023110212150962376 0.0049282979526048525 -0.00900325303885498 0.0049282979526048525 0.02287611484537773" pbc="T T T" energy=-930.75078396 free_energy=-930.75092801 config_type=amorph 
Hf       8.92456268       2.47367130       0.19538728      -1.51302708       2.80337390       2.94445251 
Hf       3.24090944       7.01936983       1.21713298      -3.07517180       1.27311723       1.82307512 
Hf       7.49023362       7.95136555       2.37563552      -0.79170584       0.76912432       2.02882878 
Hf       6.65015167      10.73106859       0.65265564      -1.48262862       2.53106196       3.66907365 
Hf       3.04885887       3.93491393       9.46930489      -1.29455147       1.62843152       1.86139548 
Hf       0.02491416       4.07614522       7.74710070      -1.49228060       4.49308261       3.09459479 
Hf       0.69578808       1.27114403       9.79819948       2.43200347       0.19464689      -1.01925620 
Hf       4.46529664       7.16816714       5.07862240       0.33851985      -1.39308210      -0.10773170 
Hf       4.52946762       9.83508451       3.39517271       3.26995884       0.16396373       0.76343254 
Hf       0.63513337       3.72447463       1.71662955       0.42746451       2.14918972       1.41462381 
Hf       0.33058438       8.08753180       2.15377989       1.85664818      -0.59764845      -1.47788186 
Hf       2.20327328       1.28512562       3.76107642       1.24346032       0.54541998      -2.03154513 
Hf       8.79473416       5.89236811      10.60166878       1.05036082      -0.95159534       0.56316309 
Hf       8.57846792       6.72421226       7.44402786       0.82023937      -1.75609145      -1.00295592 
Hf       4.09047942       1.59328477       0.98011296       0.23114430      -0.36348566       2.32117315 
Hf      10.59546263       2.90038117       5.17071692      -1.02235650       0.07775078      -4.17223817 
Hf       9.88739926       0.08711721       2.85667411       0.16303098       1.05935948      -3.63076944 
Hf       5.14020794       7.36237075       8.92012428       0.73000618       2.23951482       0.22092490 
Hf       7.19171209       2.06553937       3.86201324      -2.81637613       0.31802623      -2.54024569 
Hf       4.24112220       4.18471124       3.46982225       1.25124721      -0.42908996       2.27825450 
Hf       5.82621411      10.50185571       6.64347653      -4.72532344       0.28017351      -1.14379223 
Hf       1.53639114       7.28025572       8.21120662       0.14993454      -0.46777080      -1.37067727 
Hf       1.06117221       5.89262541       5.07058185       0.64840945       1.13866886       0.95553522 
Hf       3.47088922      10.40899386       9.20269477       3.44146903       2.05219365       0.18118777 
Hf       1.47326139       9.39547218       5.25013643       1.50075714      -2.45588312      -0.78263017 
Hf       5.90819637       5.04195927       0.53694126      -1.30042439      -1.56267630       0.00260356 
Hf       8.55433097       1.33510647       8.11218639      -0.52828551       1.00287180       0.09544415 
Hf       9.56722396       9.14315826      10.06389755       1.81993816      -1.53930481       0.65552611 
Hf       7.97585251       5.01866900       4.47417628      -1.46624504       4.84586860      -0.82611455 
Hf       8.61716184       9.84994459       5.34716321       1.64997057      -6.84193183      -0.47055535 
Hf       6.19074417       4.07847901       7.36455060      -1.17355565      -0.96935207      -2.06274762 
Hf       2.74441074       1.79379658       6.90361810       2.89929749       1.66458431      -1.42636746 
O       9.05225381       9.06953931       3.38599235       1.93150494       2.39035603      -0.76865328 
O       4.35783537       0.77411554       7.65475518      -0.46720921      -1.28326168      -0.81535491 
O       1.45077384       5.30410406       8.82086868       1.98029174       0.07123487      -0.56158422 
O       5.97657723       0.57908902       4.44521139       0.53241406      -0.97294457       4.47320460 
O       3.13155428       8.57221064       9.37667189      -0.09220593      -3.61575502      -0.14353458 
O       1.96032971       8.60459245       1.12411089       0.80103981      -0.49757998       0.39200393 
O       5.29567984       9.23041367       8.04155033       1.01699201       0.61155577       2.02841567 
O       7.81163168      10.48604743       7.06244050       0.52533426       0.76754495       0.96161102 
O       4.66157946       9.07268635       5.66624637       1.12898631       1.03489491      -0.61180444 
O       4.58974877       3.18803266      10.69782478      -0.57561101       2.03345883      -0.93591261 
O       3.63297927       7.96847040       3.42603420       0.20130147       0.78316488      -1.17777678 
O       7.23361179       5.41137273       6.28615466      -0.47844760       1.64735701       5.27662109 
O       5.68472194       8.86075582       1.59891857      -1.87785741       1.40692497      -0.33741348 
O       4.23538559       3.31148188       7.46210305      -0.60283398       1.97531213       1.96925508 
O       0.45382831       4.81575436       3.56039092      -0.07570272      -2.55692044       0.17582761 
O       6.59139117       8.89560746       3.94073044       0.32020507       0.54342441       0.52753662 
O       8.34991554       7.94564642       8.92919346      -1.17334578       0.79263669       1.34966279 
O       7.49588534       1.47616590      10.37276324       0.28163903      -2.80428413      -3.32553298 
O       1.33965311       1.42145450       5.61492747      -3.28377320      -0.03140072       0.06604265 
O       7.04869634       6.62551326       0.85679228       0.16172879      -1.34825806      -1.48525154 
O       1.21562438       3.93092498       6.17057717      -0.01361233      -0.15160580      -0.84472920 
O       7.51508514       3.94481005       0.14261580       1.04172173       1.34152669      -0.17514520 
O       9.86311141       2.33917909       6.99577983      -0.06626392      -1.47799905      -0.20151325 
O       4.25681909       6.17589972      10.24480255      -2.24253829      -1.16316325       2.41540261 
O       0.01031800       1.88663856       0.69539530      -0.30127334       0.61681725       0.02130492 
O       8.48148391       7.49212654       5.79619713       0.33043137       3.98925674      -2.11408793 
O       0.23229381       1.98105364       3.20554321      -0.24263917       0.22313054       1.25908828 
O       8.81270513       0.76062814       4.59727451       1.02664716       1.35830581      -0.68706391 
O       0.79176408      10.25574696       3.34802288       0.30549032      -0.54954526       1.41391334 
O       9.76988674       3.14834125       9.32451879       0.01655125      -2.88636602       0.27641794 
O       9.98211788       4.82438234       1.00491834      -0.86444137      -2.03518170      -1.19760959 
O       1.81706046       0.01769164       8.39036852      -1.34834966       1.53215315      -1.51800054 
O       3.20919985       0.00632481       2.33977880       0.12656099       1.35435502      -0.41665451 
O       2.99848078       5.62224618       4.60824530       1.99557237      -0.83031604      -0.19083540 
O       0.93624826       7.70382767       4.24768943      -1.31764362       1.09395871      -2.50684640 
O       5.84937822       6.17592187       3.87512403      -1.09282549      -0.56777720       1.73208894 
O       4.65899358       6.72894737       7.31116237      -0.71268749      -1.77583735      -2.89460918 
O       5.97028933       3.60845638       2.64043100      -0.12816500      -0.66767843      -0.07245567 
O       2.70939832       2.58485684       2.18007356       0.52754796       1.81666103       1.25432082 
O       9.48813210       4.48207548       5.77102612       1.97196493       0.64052449       1.71530430 
O       3.60715198       2.51466601       4.95453330      -1.24567736       0.34216460      -1.34281843 
O       9.63676189       5.53701950       8.66371447      -0.91255700      -1.22908058       1.94027435 
O       0.13842221       6.60198546       6.88451655      -1.01188239      -1.83984599      -0.68687701 
O       2.28565451       7.54535300       6.28846587       0.61116582       1.84597232       0.49067165 
O       6.38550199       5.76574428       9.14551018       1.84245942      -2.05382967      -0.47982017 
O       6.84964960       2.14919742       7.51997343       1.01968897       0.92311091       0.60665153 
O       5.08253286       0.45521391      10.50129834      -1.07086924      -2.06454644      -1.41080915 
O       6.48355145       3.66787444       5.20461233      -0.84636723      -2.72308561      -0.55535779 
O       9.97284958       0.21596584       9.19837632      -1.36174142      -0.09790879       0.10078511 
O       8.75560229       3.52328550       3.67931835       0.90583275      -4.05943027      -0.81675978 
O       4.34429944       5.31538110       1.87029768      -1.46704040       1.40999750      -1.09006223 
O       2.65228115       1.10896995      10.47703904      -1.21001115      -0.24765780      -0.12140240 
O       7.89916805       9.32158171       0.60048170       2.43884653      -1.31939403      -0.91801480 
O      10.66451236       9.57130182       6.02138328      -3.73298039       1.57351207       0.06711408 
O       1.79967161       4.25417285       0.25491076       1.90102474      -1.48442172      -1.80427521 
O       8.59791937       6.46784219       3.07899363      -0.36494525      -0.56837982       0.41599402 
O       3.04715518      10.78816828       4.90667737       0.40721944      -2.29904527       0.62312338 
O       5.69702122       0.92311901       2.30481686      -0.82755289      -0.64931710      -3.60904492 
O       9.93736307       7.35051669       0.37215568      -0.03570100       1.41743896       0.48881995 
O       0.18002748       8.46244869       8.75131848      -1.01106549       0.98230422       1.84442280 
O       1.39151580       6.36980641       1.83143298       1.64031370      -0.07734451      -0.46275979 
O       8.11564761       1.38272019       1.98343118       2.25676733      -1.06862083      -0.00856280 
O      10.50862660       9.94349007       0.89578649      -0.88436994       0.22057520       1.20531307 
O       1.58044604       2.79434360       8.49254774       0.41194441      -1.66817242       0.47000410 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003365453502440722 -0.009090354646872651 -0.00046257554278250526 -0.009090354646872651 -0.0004645944899809638 0.0011825493303316088 -0.00046257554278250526 0.0011825493303316088 -0.00424619762994859" pbc="T T T" energy=-947.78884852 free_energy=-947.78884875 config_type=amorph 
Hf       9.16398934       2.62146667       0.37377208      -1.59777442      -0.67979858      -0.72468401 
Hf       3.85785873       7.12909542       1.05543462      -0.23868140      -1.12057273       1.17841825 
Hf       7.31105685       7.83482098       1.78488720       0.03950074       1.82332381       2.36130856 
Hf       6.97287420       0.20459304       0.95532159      -0.31939526       1.57688315      -1.03125092 
Hf       3.23961449       4.36105797       9.34481509       1.11001953      -0.48433841      -0.57060600 
Hf       0.18314174       4.08726170       8.90986078      -0.41430185       0.05522314       0.03537079 
Hf       0.74460252      10.53956539       9.88817375       1.35205357      -0.20774986      -1.77077386 
Hf       4.33687260       7.50623286       5.57846160      -1.67106956      -1.08163601      -0.79344019 
Hf       4.97636143      10.10044094       3.49465586      -0.36363806      -0.95133565      -1.37627722 
Hf       0.97670884       4.03969672       1.50624399       0.28705832       2.67451280       3.74411199 
Hf       0.15306950       7.67905671       1.67862490       0.62698558       0.84892898       0.14971223 
Hf       1.76959308       2.11383879       3.82471957       0.67066336      -1.66747723       0.65330819 
Hf       8.26998763       5.64655075      10.43821202      -2.29235459      -2.83316189      -1.35488012 
Hf       9.38693484       6.33478639       6.76186636       1.91990853      -0.01494808       2.77987686 
Hf       3.78157693       1.29347470       1.13299573       0.39390732       0.99013724      -1.51677904 
Hf       9.66013814       3.44822797       5.54345938      -0.11705448       0.65534503      -1.62095243 
Hf      10.00543137       0.50815594       2.44347389      -0.11479456      -2.57481864       1.00850537 
Hf       5.51895125       7.24623220       9.14446830       0.84596443      -1.03470674      -0.15075021 
Hf       6.67091219       2.11890686       3.85812069       1.65153659       1.58679179      -1.07553976 
Hf       4.09891362       4.49966658       3.98349018      -2.33794866      -1.15384187      -1.03714151 
Hf       5.89841370      10.62752093       6.77807697      -0.11654889       0.34152810      -0.27828537 
Hf       1.44183102       7.68058963       7.88487869      -1.45816643      -1.70007793      -0.78678861 
Hf       0.90078671       6.15329743       4.38203171       1.23075925      -1.22657585      -1.76149862 
Hf       4.06961327      10.15623157       9.53146972      -0.56775485       1.95205785      -0.89682030 
Hf       1.75955996       9.70801741       4.77540234      -1.53301761       1.07977810      -1.17709235 
Hf       5.53393369       4.51535392       0.91590800       0.52362403      -1.38330901      -0.97185909 
Hf       8.53230743       1.12229147       8.24891359       0.53492854      -0.91959198       1.36583521 
Hf       9.18733823       8.54062601       9.86777009       0.46162012       0.67752329      -1.47132805 
Hf       7.38650705       5.43643888       4.61184212       0.56414050      -1.26166042      -1.29192571 
Hf       8.94081075       9.61993714       5.22882278      -0.74575229       0.71303405      -0.36815185 
Hf       6.52722269       3.59565227       7.44213776      -1.38558495       0.82067974      -0.72856059 
Hf       2.98952287       2.06266417       6.95135592       0.48937225       1.37460538      -2.16391578 
O       9.86631762       9.32802930       2.39375218      -0.47775763      -0.56012078       0.30205229 
O       4.04922133       0.51672486       7.40446597       0.69448102      -0.46270308       1.56619437 
O       1.86430312       5.71393305       8.45302309      -0.15592912       0.50976377       0.45228681 
O       5.79939564       0.63113030       4.73391703      -0.81363874      -1.11285713       2.31919879 
O       4.41217678       8.48384994      10.50599437       0.69925643      -0.05253313      -0.42317558 
O       1.98120291       6.93969184       1.00562259      -1.16803886       1.75016131      -0.04494512 
O       5.55470744       9.42665588       8.37519827       0.44489578      -0.44313884      -0.16402259 
O       7.97767182      10.53651009       6.82511661       0.00845420      -0.30207541      -0.22321515 
O       5.60846631       9.08669670       5.49598929       1.32157232       0.25636651       0.16830231 
O       4.40003959       3.25559213      10.84151590      -0.74091624      -0.27812435      -1.39651077 
O       3.53165586       8.94232054       4.39510114       0.90300512       0.24063971      -2.34276909 
O       7.66763549       5.13105624       6.61598301      -0.01611955       0.25556189      -1.00345995 
O       5.19278476       7.85217770       2.38860855      -0.15442514       1.35443553       0.57363504 
O       4.18179153       3.62555851       7.48074994       0.79977422      -0.39130827       1.63247609 
O       1.77106553       4.23274195       3.61511089      -1.12902348       0.80480002      -0.95205034 
O       6.87087281       9.74098178       2.53235428      -1.02844733      -0.02320619       0.53627802 
O       7.52325705       7.44949957       9.34319890       0.23757112      -0.33629453      -0.20490354 
O       7.84812621       1.27664159      10.22798865       1.12626812       0.12995202      -0.68481329 
O       2.63848109       0.65667315       5.19303478      -1.38625054      -0.36405111       0.66688992 
O       6.46152650       6.38789148       0.78996040      -0.20279318      -0.78729348      -1.06981568 
O      10.83979506       4.18884773       6.95422612      -0.62583565       0.78541216       0.14931048 
O       7.49500304       3.83090444       0.51913780       1.43316304       0.41958782       0.01818743 
O       8.49144614       2.63694817       6.87250995       0.03823246      -0.22318521       0.62642254 
O       4.25369180       5.96432810      10.20715149      -0.69171731       0.01200130       0.34469942 
O      10.77605584       0.39395818       0.46465308      -2.33194657       2.75524803       3.55037569 
O       8.44702842       7.74431235       5.91826282      -0.92989622       1.15831307      -0.79625098 
O       0.24226853       2.36902291       5.00399978      -0.00221137      -0.67873992       0.26692949 
O       8.58658848       0.50242595       4.11688350       0.42936981      -0.30873121       0.63975746 
O       0.80261067       0.22383648       3.33156322       1.77116736       0.66975921       1.32844356 
O      10.03215930       2.18560705       9.17889491       0.67691261       1.67866351       0.64639897 
O      10.01469750       4.47360925       0.06790850       0.91793663      -0.93045931       0.02483914 
O       2.21297127       9.28563336       8.92902139       0.20558327       0.07407824       0.12939681 
O       2.56492977       2.55524666       1.96074442      -1.55547083       1.04318715       0.42122610 
O       3.01393916       6.01284269       4.82003589      -1.33580586       1.32443080       0.37062996 
O       1.14865712       7.95248571       3.49511986      -0.61780254      -0.07258190       0.45097349 
O       5.36231804       5.78548896       4.73505131       2.27365312       2.12292464       0.62607293 
O       4.53616730       7.01495151       7.46266508       0.25433144      -0.11995467       0.71898549 
O       5.62260694       3.52954234       2.79400706      -0.01072527       1.35708982       0.01041937 
O      10.63861939       2.61825764       2.11435425      -0.53159308      -0.58876627      -1.09481714 
O       9.68987415       5.52246578       4.80890931      -0.02143231      -1.25606195       1.08787077 
O       3.34329341       2.84665716       4.93878550       0.40653790       0.94251335       0.95545145 
O       9.13464611       5.22587723       8.71443691       1.20141557      -0.33699901      -0.36396323 
O       0.46356723       6.83340067       6.15305023       0.32832687       0.27914480       1.30508599 
O       2.31589524       8.56199393       6.30751672       0.76913305      -1.30010337       1.94202302 
O       6.34347387       5.02977289       9.36113969       0.41881284      -0.18986176      -1.57118286 
O       6.62800143       1.66545266       7.87911689      -1.73685760      -1.08773260       0.39512953 
O       5.30127847       0.52141449      10.70441524      -0.51513792      -1.80705880      -0.78220156 
O       5.98109673       3.33632905       5.49057457       0.84368897      -0.23956551      -0.39948946 
O       9.88757090      10.15418504       8.85493030      -0.60130295       1.93881117      -0.54355546 
O       8.18196381       3.62580224       3.88579920      -0.37869888       0.22710996       1.61891561 
O       3.84258502       5.16923644       1.84400932       0.78893295       0.87346696       1.74027099 
O       2.70352362       0.74923482      10.37393595      -0.75193316      -1.95695527      -1.21759913 
O       7.94841598       9.49820626       0.21656109      -1.11296065      -0.30169013       0.52004518 
O      10.73682214       9.68020232       5.70526120       0.44948709       0.32404335       0.11699564 
O       1.71452668       4.22001081      10.64216703       0.21303453      -0.24804654      -2.55307478 
O       7.93718844       6.84251665       3.36682338      -0.92553417       0.61328800      -1.02825042 
O       3.25046565      10.70712901       2.26937062       1.23203664      -1.77181558       1.58036729 
O       5.48343162       1.12633416       2.28193642       1.76359014      -0.65668290       1.00591337 
O       9.04905042       7.12994742       0.70907171       1.03970287       0.45338031      -0.30975559 
O      10.19125962       7.52891376       8.32902638       1.55225095       0.24102645      -0.19868932 
O       0.06228208       5.80920273       2.29910587       0.19668817      -0.79646141       0.85394716 
O       8.31426900       1.54056628       1.87738113      -1.75682725      -0.10868884      -0.58005364 
O       0.18268077       8.80175225      10.68482765       0.41075961      -1.25051581       0.93797281 
O       1.86788170       2.83731385       8.49902204       0.31396162      -0.24458136      -0.95465613 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.013928283286806028 -0.014226572179425976 -0.0012265345059265516 -0.014226572179425976 0.026720130205509986 -0.0012760864835108699 -0.0012265345059265516 -0.0012760864835108699 0.021531751382550198" pbc="T T T" energy=-944.04733618 free_energy=-944.04734502 config_type=amorph 
Hf       9.23387978       2.39816160       0.45531075       0.71361829       2.40108328      -0.86631328 
Hf       3.81085979       7.19689503       1.25538591      -0.71570373       0.64045214       2.44131860 
Hf       7.16005385       8.23876919       1.93329552      -0.75465571       0.52660219      -0.87941932 
Hf       6.83806261       0.46594444       0.60856557       0.05398569      -1.42700365       1.36166561 
Hf       3.41620724       4.47273032       9.28269617      -0.73901090       0.06534078      -0.01278280 
Hf       0.39639240       3.76326138       8.77996440      -1.60093031      -1.09047456      -0.45505282 
Hf       0.55977751      10.80285542      10.08391343       0.21522267      -1.19660955      -0.60677380 
Hf       4.23968167       7.51082326       5.70727158      -0.98105697       0.07045175      -0.57672264 
Hf       4.75863100      10.09449502       3.61928929       0.53221609      -1.90142635       0.73604033 
Hf       0.84613242       4.01805912       1.56041811       0.57682705       2.73090252      -1.06277687 
Hf       0.38328247       8.00119224       1.79473251      -0.77461895      -2.20332884      -0.10225324 
Hf       1.94257923       1.86285575       3.66980611      -0.75422153      -0.33186938      -0.52916640 
Hf       8.34439627       5.59754274      10.27694075       1.04201960      -0.43234504       0.97248891 
Hf       9.48369836       6.22455056       6.95462010      -0.78629738      -0.33702614      -1.00207872 
Hf       3.70065718       1.62948119       0.96265170       1.41693504      -0.34641461       0.18069851 
Hf      10.02808111       3.30073625       5.23450837       1.16919014      -1.06339209      -0.69222268 
Hf       9.80735530       0.49140272       2.92920829       0.99264902       1.47488425      -0.44450455 
Hf       5.44323811       7.14200483       9.28726811       2.00511873      -0.27713036      -0.21710473 
Hf       6.73963785       2.21713534       3.66111527      -0.35113748      -1.13127961       0.23129519 
Hf       4.47530306       4.66693078       4.27788260       0.43680684       0.93881396      -0.25817561 
Hf       5.88688077      10.57429120       6.82496082       3.18797390      -0.40837503      -2.37276021 
Hf       1.39844661       7.65365760       7.85710605       0.63528709       1.67006653       1.29735270 
Hf       0.90597345       5.90699489       4.72740039       2.67332103      -2.73302021      -1.42542965 
Hf       3.93870378      10.02593372       9.45637572      -2.15332249       1.53995767      -0.42435238 
Hf       1.41047242       9.67064688       4.76495624       2.39978163      -4.08887759      -2.69740933 
Hf       5.42983061       4.54179698       0.97213484       2.60576996       0.80530930       0.13782906 
Hf       8.63123809       1.18005872       8.06759236       1.01701184      -1.56071619      -1.05330526 
Hf       9.12387551       8.67139578       9.84004348       0.07974005      -1.47824923      -0.15178634 
Hf       7.70954832       5.44032589       4.33892370      -1.73914655      -0.77812298       2.43547746 
Hf       8.75442524       9.42988685       4.96999244      -1.09539852      -1.71847376       1.30090155 
Hf       6.33608079       3.80296885       7.58560340      -1.25451340       2.11557263      -2.13844732 
Hf       3.09659636       1.52030820       6.64687055      -0.43654918       2.99642818       0.53117196 
O       9.43675425       9.37128778       2.83745552      -0.27872592      -1.11794377       0.38437679 
O       4.43033351       0.56477936       7.76891113      -1.21190465       0.01389208       1.05308488 
O       2.23953332       6.06786393       8.67715769      -1.17997884      -1.17686539      -0.37220509 
O       5.49864725       0.95545664       4.83011928       0.10146115      -1.46141555       0.60200363 
O       4.04715439       8.32976885      10.39595374       0.73021594       0.09104589       0.08611321 
O       2.27312290       8.22860079       1.74414674       0.57248788       1.00865334      -1.24013305 
O       5.39549976       9.13658549       8.35427166       0.65297795       0.34370654      -0.59258514 
O       8.03415281      10.64408405       6.67369923      -2.42287748      -1.58472202       1.04012360 
O       5.49749235       9.19548245       5.37598262       0.56858950       0.41841679       1.81276799 
O       4.45165215       3.23560774      10.59956894      -0.03258976      -0.07828442       1.00379890 
O       3.40477864       8.45174127       4.12814861       0.05557073       1.97738014      -0.47183864 
O       7.70558955       5.03314987       6.55891198      -0.22158399      -0.32476053      -0.19300370 
O       5.08533347       8.32865639       2.35805766       1.48104355       0.00694238      -1.32711485 
O       4.24041480       3.49709528       7.69849828       0.86118172       0.15806567      -0.14839538 
O       0.94099944       4.02590208       3.69868643      -0.25116177      -0.27237726       0.10308219 
O       6.76703865      10.14504517       2.83890517      -1.14257870      -1.16141503      -1.98514278 
O       7.63708786       7.33703395       9.26063007       0.02789832      -0.69031126      -0.12516234 
O       7.78566011       1.01488263       9.87161433      -0.45426324       1.67622700       2.43680041 
O       2.79931821       0.04566284       5.26383922      -0.18218001       2.60068017       0.74328473 
O       6.22370788       6.50429818       0.69413390       0.51100127       0.82993184       0.40099741 
O       0.35265005       4.28260458       6.64801894      -0.23291543       0.34364852       0.89702198 
O       7.73275630       4.08992401       0.58931789      -0.58257156      -0.71599291      -0.63914870 
O       9.31302679       2.38816702       6.72755917      -0.02991803       0.12864624       0.34399942 
O       4.03110434       5.94439712      10.52187256       0.87128004      -1.94281155      -0.59388746 
O      10.30916472       0.44065650       0.80937191      -0.30132717       0.51732757      -1.85741563 
O       8.41693469       7.47467526       5.74348352       0.25638917       0.60118486       0.16563748 
O       0.11616612       1.57584685       4.56164664       0.12121090      -0.14195245      -0.50949015 
O       8.29782107       0.38620392       4.41612872       1.17059715       2.24475529      -2.17765347 
O       0.93585765      10.63429117       2.84303124       0.21311656      -0.17516962       2.44623923 
O      10.00502089       2.22695926       9.37175167       1.22760339      -1.11085161      -0.25284096 
O      10.25322047       4.27656095      10.82646377      -0.31193945      -0.73550043       1.34163275 
O       1.96968963       9.55183789       8.65912494       0.37647503       0.61804484       1.47652010 
O       2.51185877       2.88088466       1.94537377      -0.34560307      -0.61291922       0.77415488 
O       2.98411814       5.81955905       5.20271116       0.96357359      -0.51933717      -0.73253062 
O       0.76769433       7.50925560       3.76124133      -0.83007821       2.85111917      -0.57693622 
O       5.57993394       6.37648774       4.62973460      -0.19880737      -2.41027035       0.29452155 
O       4.74617050       6.54713966       7.58928241      -0.15188988       0.36957284      -0.20889900 
O       6.21121634       4.30888490       2.87554833      -0.64720054      -0.21254797       0.75073899 
O      10.44732094       2.52518430       2.09891693      -0.17578222      -0.09713235      -0.49384379 
O       9.79485148       5.33455300       4.86959573      -1.59801313       1.00685614      -0.29613285 
O       2.85485208       2.86930527       5.07223028       1.61914920      -0.44115603       0.11633610 
O       9.53918317       4.90695410       8.66554192      -1.23258427       1.48952094      -0.25998980 
O       0.53001392       6.90717443       6.28789244      -1.43047207      -0.34528495       0.87731224 
O       2.46679097       8.44129843       6.31576561      -0.23488053      -0.11063855       1.30882330 
O       6.31954264       5.10604068       9.30840274       0.42528701      -1.40234865      -0.58436149 
O       6.81743291       1.97967466       7.64785867      -0.43875121      -0.76552893       0.42790524 
O       4.99191893       0.35147811      10.83350011      -0.15558914      -1.54461648      -1.42165450 
O       6.02108256       3.39070173       5.22352781      -1.90100244       2.15710424       0.38897318 
O       9.60909369      10.27501928       8.77596893       1.96257502       1.23502818       1.18152925 
O       8.29902341       3.43478812       3.98015196       1.79480946       0.32435307       0.74263779 
O       3.89523306       5.23854552       2.24085095       1.10902062       0.22442593       0.45794205 
O       2.56566431       0.57692383      10.59028132      -2.10556810      -1.01493385      -0.77802555 
O       7.52309789       9.44032763      10.85252719      -0.49299280      -0.13104024       2.33211523 
O      10.56331282       9.66168235       5.54667732      -1.00589379       0.36139464       0.94413358 
O       1.77636897       3.67003757      10.35206244       0.75819285       0.55373671      -1.83857727 
O       7.84283623       6.98182321       3.22260399       0.30908212       0.74806793      -1.21616453 
O       3.52946092       0.52711115       2.78814853      -0.94209377       1.49738097      -1.29264559 
O       5.66954062       1.87780344       1.85107193      -0.67507195       0.73053555       0.11087190 
O       9.44815810       7.24942495       0.64837129      -2.18404606      -0.97924392      -0.98790042 
O      10.19743852       7.65391956       8.18283178      -0.20025352       0.42668918       1.97933166 
O       1.12135391       5.96503800       1.58667097      -1.17878763       0.46724299       0.05908179 
O       8.08676730       1.54616099       1.85101417       0.09740300      -0.98511317       0.87203023 
O       0.14547168       8.89024767      10.74189553       0.96412351       2.22890318      -0.68132454 
O       1.68004057       2.01495382       7.83910066      -0.40682520       0.34126148       0.41413605 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.007559667412917477 -0.02252714416215753 -0.0017786001324729852 -0.02252714416215753 0.02970291514192591 -0.0032737542614877236 -0.0017786001324729852 -0.0032737542614877236 0.012904826778508438" pbc="T T T" energy=-949.678169 free_energy=-949.67816945 config_type=amorph 
Hf       9.13885501       2.39381406       0.32429182      -0.18924133       0.78000719      -0.55414556 
Hf       3.85433551       7.17652925       1.20709899      -0.35796500       0.39611888      -1.56121042 
Hf       7.14722836       8.07350614       1.56575977       0.71881719      -0.88182318       0.46520047 
Hf       6.84331296       0.40612958       0.72072493      -1.56690160      -0.19657864      -0.94359943 
Hf       3.26093726       4.26231208       9.27372523       1.28252153       2.35797309      -0.25614424 
Hf       0.32250074       3.81942177       8.87178404      -1.01489696       2.33823648      -2.07359787 
Hf       0.61172292      10.51716763      10.18724168      -0.99547586      -0.05592151      -0.13092129 
Hf       4.42927273       7.59375642       5.69793848      -2.88200821       0.96037608       1.17843762 
Hf       4.92273610       9.95201568       3.40261496      -1.58584482       0.40661194       2.73718863 
Hf       0.65328596       4.09846254       1.51619222       0.55237826       2.12347363      -0.12360469 
Hf       0.19629400       8.26757025       2.03760845       0.82586571      -2.55579248      -0.24798066 
Hf       1.75185313       2.04972046       3.81509703       3.16661802      -0.59318202      -0.78073923 
Hf       8.14589843       5.48852532      10.21432711      -0.19240579      -2.47889553      -0.63452478 
Hf       9.53960255       6.15522063       6.83595202      -0.40033880      -0.79430916       1.72773672 
Hf       3.66052555       1.51494830       1.13512022      -1.01513602       1.16785909      -0.36453396 
Hf       9.89718008       3.25104147       5.41418942      -1.41364135       2.42617752      -0.91779602 
Hf       9.85552618       0.64618384       2.83434290      -0.20660490      -1.23956768      -0.05774981 
Hf       5.53592257       7.10576194       9.14025711      -0.66588163       0.48927963       0.47469181 
Hf       6.87131467       2.09746565       3.81222238      -1.11891744       1.27199776       0.93850629 
Hf       4.46131019       4.72048033       4.10664899      -1.10999927      -0.17485924       1.62121837 
Hf       6.04834137      10.65342215       6.85891388      -1.77310289      -1.57003819      -0.69910216 
Hf       1.48201867       7.55511895       7.75023319       0.63915561      -0.43744072       0.89242688 
Hf       0.84593364       6.06108283       4.34816821       0.60987970       0.24181981      -0.26972045 
Hf       3.85564338      10.13800710       9.39484099       0.65190337      -0.39312672       0.35126369 
Hf       1.58354260       9.82603584       4.88710031       0.76662571      -1.25358745       0.99860854 
Hf       5.56474459       4.24089313       1.07531892      -0.39945559       0.38585262      -0.92499869 
Hf       8.69630245       0.93708800       8.19585985       1.20194732      -0.14735017       0.17154933 
Hf       9.11926764       8.35978929       9.72285600      -1.07587841       2.09568150       0.35447420 
Hf       7.52333065       5.72315086       4.54471571       1.09846035      -1.76365274       0.02175707 
Hf       8.74588508       9.48059084       5.20634197       1.51363301      -0.42342203       0.57918198 
Hf       6.55607575       3.60275016       7.46813723      -0.71317862       1.81237141      -1.83276148 
Hf       3.39106216       2.11065179       6.68443726       2.25316056      -0.47891420      -1.13624267 
O       9.48463526       9.45356490       2.84325152      -0.62621791       0.49142215       0.46126788 
O       4.15020809       0.60476193       7.80629523       0.97932324      -0.97951478      -0.18729761 
O       1.83703932       5.65536503       8.47274139       0.02419436       0.72225007       0.12752510 
O       5.65184323       0.71192693       5.01167827      -0.01704965       0.15107022      -1.01867390 
O       4.30777918       8.43168957      10.41363137       0.17580992      -0.74220557       0.02557897 
O       2.15299801       8.13430047       1.40823547       0.34117799      -0.44795638       0.13647893 
O       5.61431333       9.18522959       8.40764837      -0.99117045       1.25991867      -1.17344125 
O       8.10491403      10.20889307       7.05075764      -1.34101861       0.28212231      -0.77543210 
O       5.87267435       9.02162084       5.24431785      -0.14141350       0.90739963       0.47260948 
O       4.25498078       3.25982231      10.68295786       0.17982602      -1.27847942       1.54830741 
O       3.33037184       9.01712121       4.17891394       1.90371094      -0.35868230      -0.60833929 
O       7.57160825       5.31060940       6.56971959       0.49951069      -1.30674310       0.61968129 
O       5.25946085       8.14038557       2.33462507      -1.65283519      -0.22601564       0.11122272 
O       4.54831590       3.52289369       7.86942281       0.43110267      -0.42624431      -0.91771596 
O       0.87038162       4.11218216       3.57708920       0.20374642      -0.93107865       2.00107528 
O       6.60618948      10.13266968       2.28732693       0.44402703      -0.72675042       0.98177239 
O       7.56596023       7.23611874       8.97561755       0.82253480      -0.23407981       0.65766586 
O       7.85690228       1.22291605      10.00945366       0.00983846       0.81309646      -0.39599182 
O       2.50503109       0.69318863       5.52544922      -1.49209232       0.49972585      -0.71226160 
O       6.16723178       6.52750137       0.49486569       0.98555299      -0.21019634       0.83024875 
O       0.09414301       4.34825202       6.69987349      -0.42350023      -1.08266926       0.04667559 
O       7.41325821       3.83518586       0.51758067       0.73754822      -0.06792590      -0.38204302 
O       9.04045880       2.52349614       7.01747475      -0.55659760      -0.68934771       0.26266502 
O       4.21153199       5.82825022      10.25171339      -1.35452607      -0.46965909       0.03466927 
O      10.07577355       0.43225270       0.57626680       0.13789516       0.07066025       1.62332531 
O       8.58367290       7.60706404       5.89930001      -0.64554066       1.47615341      -1.38845112 
O      10.77136296       1.74384667       4.43226279      -1.16670001       0.54312682       0.81078310 
O       8.26226159       0.67392510       4.45823675       1.02090940      -0.12378519      -0.93470559 
O       0.94378605      10.73625587       3.22210231      -0.52365991       1.48693806      -1.06883634 
O      10.39707140       2.15798944       9.48639465      -0.94225337      -1.79433115      -0.57974610 
O       9.91638108       4.27106177       0.11985880       0.23788899       0.49938384       0.05020371 
O       2.09644917       9.42996751       8.75393290      -1.36858801      -0.09752687       1.34128875 
O       2.21715455       2.79258856       1.99902613       0.33842029      -0.79398937      -0.67223759 
O       2.93772120       6.10650259       4.98573992       0.93559227      -1.00398949      -1.57182601 
O       0.83144593       8.17122578       3.84799930       0.17143535      -1.63552644       1.94391567 
O       5.65500851       6.34716373       4.87805783      -0.93543101      -2.30651717      -1.62128386 
O       4.57886505       6.59443454       7.51529933       0.13402202       0.99164681      -0.61919699 
O       6.18997836       4.18030833       3.04922028      -1.51079063       1.56858510      -0.59328762 
O      10.41418711       2.48863256       1.81854322       0.63082715      -0.23233752       1.89804428 
O       9.62169956       5.51199982       4.81591536       1.86491973      -0.04654121       0.28552724 
O       3.36253175       2.96600430       4.72644188      -0.64679299       1.41827215      -0.17085647 
O       9.42182849       4.97044374       8.65081168       0.05341595       0.35059441       0.27566543 
O       0.59784035       6.71343580       6.24297163      -0.38769293       1.07488808      -0.41890205 
O       2.68177235       8.49349311       6.40511716      -1.15882832      -0.23856951       1.08184963 
O       6.54570282       4.80919679       9.09775738      -0.07722250      -0.16297877      -0.47494544 
O       6.71204727       1.50147078       7.58454512       0.70847312       1.00061979       0.78058815 
O       4.89592838       0.33496797       0.11274115       1.26502039      -1.18433460      -1.55832529 
O       5.82209814       3.48011180       5.40613693       0.01850995       0.00356277       0.80226731 
O       9.97489775      10.26765031       8.85522092      -0.54803081       0.33018999       0.15008526 
O       8.16589563       3.74325353       4.25775621       1.12893571      -3.05678677       0.37436069 
O       3.68929394       5.29382493       2.14545903       1.96343748      -0.07156603       0.74922301 
O       2.35323711       0.47680363      10.77908563       0.23778824      -0.27615846      -1.06449926 
O       7.60079167       9.53764569      10.84116589       0.45192394      -1.37524478       0.19398231 
O      10.57843443       9.86139143       5.78748078      -0.77619094      -0.26377494      -0.65857257 
O       1.58317826       4.06097638      10.45543976       0.03377493      -0.65133888       0.42944225 
O       7.79239192       7.02909572       3.13587413      -0.08707315       1.40934912      -1.29097955 
O       3.47058122       0.45605940       2.75505660       0.98491734      -0.26391123       0.71863348 
O       5.48597049       2.11296702       1.91530805       0.80654010       0.35528125       0.39954604 
O       8.76727320       6.94913698       0.50097413       0.83604772       2.37369457      -0.07065926 
O      10.18500766       7.58722697       8.30155967       1.95355266      -0.44833004      -0.56673029 
O       0.29196863       6.15125654       2.31933019      -0.02578015       0.49455090      -0.99003666 
O       7.98430517       1.54653825       2.02427216       0.99555486       0.05950079      -0.48937946 
O      10.74074183       8.77966357       0.08482825       0.44521013       0.40404073      -0.78244132 
O       2.06500936       2.78462249       7.78605159      -2.28437366       1.30103653       2.52722977 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0031546396722954857 0.015506540794232018 -0.005361754246364297 0.015506540794232018 0.011897656957746566 -0.015106264643853678 -0.005361754246364297 -0.015106264643853678 0.03189184515405457" pbc="T T T" energy=-936.20576618 free_energy=-936.20576736 config_type=amorph 
Hf       8.83422265       2.18474733       0.01312100      -0.17863617       2.22184605      -1.22069341 
Hf       3.68248548       7.17877685       1.54462590       3.36599934       2.21165628      -1.35120710 
Hf       8.14735253       7.60931174       1.95841313       1.49378775       5.90014190       0.56135201 
Hf       6.03110993       0.13869817       0.04040412       0.03525649      -4.76443912       0.54458126 
Hf       3.74536738       5.14584565       9.46467693      -0.49023405      -0.21087912      -1.14304154 
Hf       0.54674260       3.74998611       8.53934441       2.58947672      -1.94629167      -0.83147298 
Hf       0.47982800       0.39181394       9.45757046       0.45316167       0.66892726      -1.70546531 
Hf       4.26887725       7.71684445       5.33214658      -5.08773107       1.04991773       0.87355490 
Hf       5.30910895       9.97380538       2.97653128      -1.58811435      -0.15976853       1.08107333 
Hf       1.21035915       4.21280186       1.74856821      -0.65789723      -0.64319315       0.98555274 
Hf       0.53744912       8.20019154       1.93527203      -2.10445132       1.61648360       1.38754154 
Hf       2.38922703       1.58696463       3.90177380      -1.64681230      -0.05153619      -0.77157116 
Hf       9.26200058       5.39358252      10.81287932       1.32545186       1.29984221      -0.13748745 
Hf       8.87325562       6.13256753       7.48058134       1.22138777       1.07175793      -0.56069717 
Hf       3.27455081       2.35930017       0.97182109       1.35978338      -2.67604361      -3.84467016 
Hf      10.05260878       3.03774510       5.10923267      -1.41322471       0.79623398       1.41528479 
Hf      10.29330954       0.65170256       2.30653271       1.07960265       0.04143457       3.22336562 
Hf       5.75066088       7.79620055       8.97418549      -0.97366891      -0.55734086       0.24371946 
Hf       7.23026857       1.89567540       3.62382681      -1.61842163      -2.78833066      -3.25239218 
Hf       4.12788806       4.50695565       4.04741494       2.62061717       1.25607768       0.49243435 
Hf       5.45115642      10.45623488       6.55231978      -1.81233384      -1.82853848      -1.13432599 
Hf       1.30221939       7.45514043       8.35187598       1.85637807       1.12888270      -0.48557758 
Hf       0.76526761       5.91184866       5.12764387       0.53411776       1.92674277       0.51719991 
Hf       3.12551260       9.76003730      10.28574038       0.79383790      -0.93854368      -0.32444467 
Hf       1.42965833       9.31261153       5.17023023       0.38636010       2.14257846       0.02056381 
Hf       6.04034761       4.77255971       1.15046036       0.83771413      -0.65348732       0.21464934 
Hf       8.31931873       0.85285403       7.65229035       3.84552282       0.30343573      -1.42281429 
Hf       9.02207529       8.99973051       9.80287846       0.46362757      -1.42796659      -0.14285537 
Hf       7.38701295       5.60163939       4.89048359      -0.23332406      -0.84059526       0.11451912 
Hf       8.44583150       9.31039672       4.98216351       1.28845454       0.02098164      -1.64644386 
Hf       5.85837348       3.67869856       7.46638067      -1.19362865       1.67384990      -3.42571722 
Hf       2.85476491       2.03165873       6.91312925      -1.37467095      -1.42410000       0.76181178 
O       9.56145000       8.34093375       3.16800745      -1.13589633       1.21964782      -0.97247726 
O       4.18446664       0.72985817       7.48396809       0.01095883       0.89089795      -0.71207856 
O       1.93197180       5.49299076       8.48924990      -1.25538886      -1.74268385       0.58935923 
O       6.22774830       0.21480996       4.38217078      -0.40504597       2.17042066       3.66700304 
O       3.18747540       7.37785800       9.18996384       0.55103957       0.79964383       0.34766294 
O       2.17112759       8.48922927       0.78522290       0.23031871      -0.26328638      -0.04740173 
O       5.18023589       9.74583761       9.11332942      -0.47663474       0.57160593       0.42790194 
O       7.38032533       9.98672391       6.79972086       1.55601940       1.65938396       0.11615120 
O       4.10575150       9.75838084       5.13673064       0.84145755       0.33200411       0.49970241 
O       4.94295380       3.63558317      10.85583393      -1.47227777       0.67379869       0.08835527 
O       3.97021394       8.30687299       3.15087318      -0.41503329      -0.83971840       1.02136595 
O       7.49498133       4.66322670       6.86828542       1.16714159       1.71321016       1.20143948 
O       4.84534956       9.02539929       0.81214886      -0.61021068       1.66794999       0.42123263 
O       3.71853088       3.45126287       7.99681289       1.66811041       0.94644958      -0.00776841 
O       0.74271959       4.41469894       3.77263975      -0.75931822       0.69396116      -0.84680096 
O       6.85905892       8.82299566       3.62087432       0.55029371      -0.42728265      -1.78221598 
O       7.58978017       7.35999994       8.39550879      -0.34802540       0.67508708       0.15599914 
O       7.60207185       0.76146375       9.99280130       2.03975343       2.55306825      -1.83804543 
O       1.68737719       0.65557449       5.69044976       2.94592187      -0.04743503      -0.60280161 
O       7.80946518       6.67959380       0.28053764      -0.89332689      -1.74919784      -0.58941326 
O       0.54586030       3.55420073       6.45243907       1.83338926       1.55215616       2.66007205 
O       7.70167822       3.98749955      10.78758008       0.96836679       0.37436668       0.35657884 
O       9.53325082       1.46686308       6.15770782      -2.22856808      -0.64930717       2.25545725 
O       4.87308844       6.42396891      10.62898610       0.85767497      -0.54820361       1.69802598 
O      10.33875406       0.98820453       0.26472079      -0.59318351      -0.34656585       1.32087619 
O       8.18010857       7.49103743       5.67885864      -0.42182422      -2.13394508       0.90025772 
O       0.25931334       1.87239165       4.16722717       0.50886621      -1.85203835      -4.40634724 
O       8.72528036       0.11981842       3.81408066       1.07782485       2.19556608      -2.46093981 
O       0.90479152      10.33679752       2.90134989      -0.10440757      -1.31506580       0.30302622 
O      10.01948135       2.23126544       8.80148616      -2.09865897      -1.07231270       1.41926995 
O      10.49486649       3.72583569       0.64061051      -1.46197922       1.54911311      -0.63381262 
O       1.49044136       9.59665729       8.72697352       0.81838117      -0.90886483       1.22354706 
O       3.25062241       3.45400193       2.58763955      -1.16102911       0.81462739       0.13290240 
O       2.90256895       5.86351603       4.90998509      -0.17611396       0.10196116       0.10982874 
O       0.77003778       7.75194774       4.09219320       2.00495984      -2.87128499      -1.05963660 
O       5.66555482       6.68054742       4.98408736       3.59492910      -3.36081208      -1.26727797 
O       5.14231668       8.21319008       7.06490902       0.36014038       1.29860084       0.11830249 
O       6.00379109       3.50666918       2.76710738       0.66953224      -0.49070420      -0.76124711 
O       1.53933582       1.96269640       1.86790233      -1.80115408       1.05776413       1.07611518 
O       9.42240844       5.39258059       5.61946174       1.43081309      -1.23354911      -2.27817093 
O       3.56305322       2.88452535       5.03071577      -2.58405401      -2.65925252       1.69199060 
O       9.87259390       4.83947345       8.95182095      -1.75135118       0.66338547      -0.47119940 
O       0.10514355       6.64292285       6.98840803      -1.21311874      -0.48950657      -0.17027976 
O       2.21862613       7.92160783       6.50115374      -0.11520786       0.65175172      -0.43233838 
O       5.42566590       5.45846514       8.20880573      -1.47688534       0.96800008       1.96287502 
O       6.92582446       2.05815020       7.06217072      -0.98285679      -1.36102032       0.91213823 
O       4.31799263       0.91895831      10.81197835      -1.47964608       0.16987574      -0.57097042 
O       5.64421305       4.10519174       5.33785594       0.59316176       0.35580575       1.42866824 
O       9.73539835      10.24282746       8.40240703      -0.76499462       0.44436837       1.06109805 
O       8.16252452       3.29721770       4.41276802       0.92700663       2.40373495       1.01513794 
O       4.79845116       5.69057743       2.42287047      -0.39665965       0.82960592      -0.14494817 
O       1.88171510       0.27805924      10.82213426       1.09604432      -0.07997537       0.09015137 
O       7.25578472       9.11354731      10.58590208      -0.49835331       0.31149308       0.79283615 
O      10.52054580       9.54805770       5.46318169      -2.75669978      -0.00240594       1.43228644 
O       2.16797121       3.53501721      10.49726119       0.70902651       1.05486921       1.40438903 
O       7.51337092       6.25557771       2.87647470      -1.51682547      -5.55729904       3.26616359 
O       3.80325622       0.72837486       2.95707755       0.14630206      -0.72652601      -0.82355727 
O       6.31890831       0.62761284       1.96482707       0.40919251      -0.56736149      -1.71304980 
O      10.26785864       6.61278179       1.48873518      -0.59323591      -1.50394213      -1.30630053 
O       9.83261002       7.21697604       9.52518541       1.83822783      -0.54705189      -0.71734239 
O       2.31609478       5.84988782       1.57556252      -2.31372781      -0.47666627      -0.24778977 
O       8.63584119       2.21516697       1.93612795       0.13561138      -1.63901373       1.06745324 
O      10.37333505       9.36213478       0.40760865      -0.85887247      -0.78333588       0.79990581 
O       1.57887436       1.81187991       8.53036360       0.35143835       0.48760834      -1.22776139 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.02277568466938399 -0.0006081058838029452 -0.006178569928861616 -0.0006081058838029452 -0.010115957454120904 0.009673430568635595 -0.006178569928861616 0.009673430568635595 -0.007334000757128013" pbc="T T T" energy=-942.81425898 free_energy=-942.81425943 config_type=amorph 
Hf       9.08781339       2.46869213       0.33577579       2.42011269      -1.55356444       0.42046793 
Hf       3.81281253       7.27356462       1.07558392      -0.26640751       0.84114834       4.41358779 
Hf       7.37016051       8.01781235       1.98888162       2.07756446       0.10482211      -0.41655669 
Hf       6.73780149       0.12636632       0.53952670       3.19881935       3.82281365       2.59399433 
Hf       3.64334677       4.84564279       9.18534999       1.18279241      -1.65610363      -0.40448077 
Hf       0.37365896       3.92081716       8.86081010       0.60696379      -2.03078518      -1.20873580 
Hf       0.55135167       0.06018235      10.10009886      -0.96728102       0.30251893       2.12110814 
Hf       4.33233866       7.40933483       5.65268503      -2.98328687       0.83212899       1.38985697 
Hf       5.04331002       9.85624682       3.59143392      -0.47476062      -1.97490452       1.37277878 
Hf       0.76371645       4.08355469       1.49269493       0.95756180      -1.01118377       1.47804705 
Hf      10.78355422       7.91165732       1.97213058       1.38683144       1.04078994      -0.64262787 
Hf       2.11680833       1.12688002       3.64153680      -1.95357829       3.92482885      -1.64080831 
Hf       8.45233599       5.51081821      10.44544084      -0.35751960       1.19564092       0.34348704 
Hf       9.46248568       6.35154807       7.12626516      -0.43973205      -0.88002469      -0.09120679 
Hf       3.72559848       1.75847269       0.69572316       0.55391721       3.90565616       1.13779816 
Hf      10.06776665       3.32955555       5.22593477       0.46484512      -0.37091445       0.16321487 
Hf       9.92270795       0.65860167       2.85836553       0.10207507       0.10086198      -2.13995291 
Hf       5.68981976       7.42468681       9.08111382      -1.24906450      -2.20568538      -0.01087114 
Hf       7.02857896       1.63477356       3.60792398      -1.31543267       2.77002018      -1.38628997 
Hf       4.25256676       4.61706751       4.06642422      -0.50371398       0.96598742      -0.52953162 
Hf       5.83775725      10.78520297       6.78788634       0.42295530       0.99112888      -0.61345187 
Hf       1.47311439       7.55740986       8.11612073      -0.21045292      -0.16155396       1.44331390 
Hf       0.47911669       6.04297941       4.48601731       3.06852679      -1.13771951       0.14630985 
Hf       3.82778226      10.22790908       9.37901849      -4.24722339       1.14698872       1.19415502 
Hf       1.65499940       9.37191593       5.26834765      -1.04738565      -1.13598159      -1.71948751 
Hf       5.79447249       4.32901151       1.16024770      -0.41936513       0.86865547       0.94180728 
Hf       8.63688069       1.12855277       8.15418585      -1.30177680      -1.93594341       1.68010164 
Hf       9.09894724       8.57064461       9.90154033       1.43084209       0.95766028      -0.90280300 
Hf       7.44371910       5.29630875       4.58671051      -1.60554009       1.17897423      -1.39728865 
Hf       8.79694777       9.59852491       5.22234435      -0.64901389      -2.28211430      -0.47623619 
Hf       6.11619743       3.71461011       7.09098926      -0.76506844       1.41503888       1.23731375 
Hf       3.10384873       2.24609577       6.47378789      -0.88241436      -1.15130310       3.14465876 
O       9.26609658       9.26082820       2.86725146       0.05198869      -0.57032814      -0.34769253 
O       4.04404393       0.77143467       7.65658165       0.14630377       0.15215707      -0.98707123 
O       2.16382506       5.76330616       8.32445954      -1.59853549      -0.46576656       0.86556163 
O       5.82642972       0.52142741       4.77700626      -0.72332240       0.39980712       0.80044772 
O       4.33591616       8.57444260      10.47201482       0.59657482       1.47739192      -0.91323915 
O       1.96216205       7.77185125       1.42049827       0.50624766      -0.09508879      -0.30542445 
O       5.26462837       9.75526191       8.31096552       3.88231654      -4.33122682      -0.15545490 
O       7.88396914      10.36683893       6.97645040      -0.20336986       1.23057887       0.00025018 
O       5.68856086       8.92434577       5.58938820      -0.11162604       1.43171632      -0.43871111 
O       4.37411611       3.73463619      10.74543937      -0.96446792      -2.91567215      -0.53401361 
O       3.38221651       8.70969182       4.31067164       0.27121885       1.03361917      -0.59702724 
O       7.54520623       5.06728683       6.52825741       0.86886701      -0.37089470       1.53504512 
O       5.50772154       8.30283736       2.19789602      -5.82588277      -0.88782345       0.03780914 
O       4.00577775       3.75326071       7.39605663       2.48072496       1.01102762       1.17669915 
O       0.83401151       4.07840226       3.88957233      -1.41992264       2.07673582       0.55559099 
O       6.73533460      10.17395133       2.58185376       0.25037491       1.87528311      -1.39023358 
O       7.79143005       7.13930376       8.83019744      -0.02465204       0.68047983       1.40296372 
O       7.71734732       1.56030206      10.05020540      -0.12419709      -2.52998132      -0.71489591 
O       2.27047808       0.44813111       5.46523973       0.71896946      -0.25520548       0.59574231 
O       6.55763342       6.24698230       0.90319683       0.70008277       0.13600882      -1.01985068 
O      10.67733947       4.55935030       6.82188521      -0.15872853      -0.73234986      -1.25547010 
O       7.57486744       3.88533922       0.20040205      -0.51709633       0.12346881       0.40839589 
O       9.69903996       2.21054433       7.14393910       0.33492321       1.31344946      -2.82148690 
O       4.28549671       6.25403112      10.43943206       0.09877915      -1.03990749      -2.48914310 
O      10.17212355       0.58394323       0.76250607       0.45156216      -0.60218074       0.24007163 
O       8.70416256       7.82081073       6.01744264       0.19684205      -0.08473815       0.77728934 
O       0.05382823       1.79228255       4.21664284      -0.15731036       0.54987806       1.78287234 
O       8.42193318       0.51344353       4.21741994       0.28865415       0.29052246       1.41633019 
O       0.77846840      10.66840881       3.10561832       3.58871401      -1.77263795      -1.03839101 
O      10.61103587       2.09619448       9.63251695      -0.87227482      -0.34362145      -0.31030707 
O      10.13813586       4.20146944       0.09011118      -0.99979621       2.17188366      -0.45127816 
O       1.72471917       9.49636307       9.20606317       1.61805027      -0.98089908      -1.22578659 
O       2.37528225       2.58683748       1.85000008      -0.94795039      -0.60465652       1.28867447 
O       2.94792878       6.00336433       4.65004990      -0.98486804       0.83914788       0.95164207 
O       0.65240616       7.97733896       3.95639965       0.06484719      -0.44995191      -0.59875989 
O       5.38662718       5.95184861       5.14446211       2.65191842      -0.74906360      -0.53352067 
O       4.32412636       7.13977363       7.68620953       1.59972525       0.34167305       0.68423811 
O       6.31546206       4.50939182       3.10987488      -1.14792997      -0.56574148      -1.66100090 
O      10.28779668       2.69774771       1.99396185       0.20724625       0.31750258       0.32130485 
O       9.42486187       5.54710050       4.80474742       1.49498238      -0.61512020       0.11299161 
O       3.17799769       3.12070432       4.73810574      -1.45063025      -2.16069388      -1.32239280 
O       9.51630610       5.11073671       8.84257836      -0.90279595      -0.14237400      -0.24487153 
O       0.52808963       6.81108943       6.46359767      -0.55648207       1.20197269      -0.87991379 
O       2.49946873       8.41050794       6.77364627       0.85153911       2.29989647      -2.36098502 
O       5.83818781       5.29381439       8.71077300      -0.33609653      -0.61302980       0.06211608 
O       6.62677879       1.83817674       7.66853820       0.68570458      -0.36518400      -1.15293685 
O       5.09501974       0.54026146      10.64296942      -2.94402515      -2.00830715      -2.74498638 
O       5.61155114       3.44216675       5.24845021       0.91709625      -1.11939902       0.52750938 
O       9.78875879      10.46837501       9.13587092      -2.72255704      -1.21208871      -2.28641045 
O       8.08906635       3.27487857       4.30252253       2.16425700      -0.97064111       0.84792280 
O       3.88095032       5.15408031       2.15225858       0.99055777       0.94258132      -1.09869640 
O       2.46116444       0.64915620      10.50594573       1.02401685       0.33395623      -0.11123816 
O       7.36793724       9.27112948      10.82654172       0.37257888      -1.21227237      -0.85935489 
O      10.59026895      10.03505111       5.30177699       0.74125573      -0.02449464       1.86889387 
O       1.70656961       4.04279263      10.36418313       0.96672571       0.96544997       0.10510105 
O       7.60975653       7.19085563       3.63708319      -0.07264249      -1.64403495       0.91546961 
O       3.79538731       0.37235945       2.98438022       0.19384913      -0.00826070      -1.92494202 
O       5.59133334       2.07822601       1.49620533       0.71694817       0.81803432       2.22016466 
O       8.94415255       7.20846802       0.73326913       0.55058509      -0.50945864      -0.62774323 
O      10.47259455       7.49651859       8.76492465      -1.82166486       0.22044346      -0.39115745 
O       0.08063672       5.90125492       2.06616285       0.07097624       0.68027173       1.29992572 
O       8.08124011       1.40731832       1.81420405      -1.14404943      -0.19921457       0.71157417 
O      10.65203297       8.92532328       0.17756254       0.70561808       0.85812808       0.57222049 
O       1.74211063       2.66792528       7.72524662      -1.45063211       0.61869126       0.22789904 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00224284281355056 -0.002176396069403936 0.003543577054048597 -0.002176396069403936 0.009595935360936208 -0.0028291509819539616 0.003543577054048597 -0.0028291509819539616 0.020684410332646393" pbc="T T T" energy=-948.62059153 free_energy=-948.62059582 config_type=amorph 
Hf       9.06689904       2.55903661       0.18794144       4.24873113       0.11650389       3.78603157 
Hf       3.84599717       7.12123226       1.03689597       1.18699355      -0.52809657       1.39654322 
Hf       7.07239546       8.21914208       1.84398913      -0.40894561      -2.51249650       0.07323062 
Hf       6.78754426       0.36943627       0.76511833      -0.63941185       1.98224491      -0.14989244 
Hf       3.42517644       4.42322172       9.06288675      -1.79951317       0.21712406       1.32373107 
Hf       0.31296017       3.91816549       8.89967827       1.70792263       0.99465582      -0.27685933 
Hf       0.44178947       0.18806108      10.08095323       2.34459523      -1.09340328      -0.94290795 
Hf       4.17667286       7.48330824       5.69533393      -1.84362579       0.29081640       0.04211721 
Hf       4.92561423       9.84979651       3.70265182      -4.24812541       0.58622949      -0.46524108 
Hf       0.99993538       3.98347194       1.63530378       0.01046670       1.15649770      -1.23212828 
Hf       0.08717323       7.77542234       1.80882265       1.67615213       1.68380169       0.07963170 
Hf       2.03565235       1.73187514       3.94599535       1.66788467      -1.40223261      -2.25311077 
Hf       8.27807888       5.64278142      10.31015894       0.42096474      -0.67879999       0.81956111 
Hf       9.41074827       6.21546161       7.01186418       0.96668537       1.21396109      -1.90427266 
Hf       3.76431455       1.51597607       0.92400087      -2.27214061       0.06739778       0.21632011 
Hf      10.14109064       3.31932115       5.26275727       0.45082995       1.27947465       1.50025907 
Hf      10.08868057       0.59357369       2.82414508       1.22033020      -0.71484268      -0.13034280 
Hf       5.60667142       7.15178011       9.02773992      -0.40599719       0.00965011       1.89206228 
Hf       7.13535400       1.94279429       3.81054203      -1.73145265       1.71507716       0.15199310 
Hf       4.31816448       4.65235676       4.16104230      -0.66288451      -0.09365166       0.58492187 
Hf       5.87658763       0.02942335       6.66370508       0.20327030      -1.81746492       0.43658622 
Hf       1.28773592       7.61574132       8.09586895       2.59506488      -0.10550154      -0.77674625 
Hf       0.72879034       5.91455211       4.34522853       0.90560297       3.15912978       2.64386309 
Hf       3.97909488       9.94203065       9.23415553      -2.55727241       1.07228426       0.35137301 
Hf       1.43087142       9.40851675       5.10082724       1.90527733       0.44206963      -2.61190775 
Hf       5.58884169       4.33528225       0.77782722      -0.32357422       0.69316354       1.26373730 
Hf       8.54138117       1.15705745       8.17134401       1.97862118       0.44076474      -2.28909307 
Hf       9.22226434       8.73210554       9.97196848       0.83490400      -0.06141743      -0.33984977 
Hf       7.32471252       5.38425810       4.33992411       0.67780061      -2.51466716       2.03788715 
Hf       8.78078503       9.40291649       5.25735525       1.93043813       0.68130865       1.41935101 
Hf       6.48699726       3.83784383       7.29462216      -0.94416619       0.20434071      -2.18205085 
Hf       3.20157575       2.05392654       6.77529926      -1.58394190      -0.19282137       2.49515393 
O       9.58443151       9.37830360       3.04779798      -1.26981075       0.47627511       0.05914882 
O       4.24162398       0.65811390       7.70337518       0.44108354      -0.98698346       0.22276280 
O       1.87648298       5.76467601       8.61532256       0.23981471      -0.13340875       0.30460350 
O       5.50616127       0.66565603       4.78471070       1.47025991       1.38871042       0.47856491 
O       4.30615333       8.25857380      10.25891832       0.56699543       0.54483941      -0.14297640 
O       2.09534682       7.66342062       1.26398991      -2.43657678       0.01819312      -0.04274167 
O       5.51263719       9.17128221       8.21612976      -0.00894004       0.90653399      -0.09382936 
O       7.85681532      10.52980856       6.86034681       0.27609577      -0.31047850      -0.74892915 
O       5.51439245       9.11214424       5.59245024       0.25967208      -0.07954907      -0.81315744 
O       3.98046234       3.41602083      10.78585273       1.77494147      -1.09855245      -0.54620060 
O       3.21331083       8.72366298       4.23337130       2.13682860       0.89308691      -0.05372202 
O       7.69933553       5.31941272       6.39830729      -0.79405910      -1.49428500       0.77997331 
O       4.97918474       8.34088924       2.31463058       1.34538940      -1.26155004      -1.53040358 
O       4.36141167       3.55918260       7.44177896       2.38928581       1.31449104       0.74124033 
O       0.99043465       4.05406360       4.02352139       0.98177431      -2.21467432      -1.08445715 
O       6.64188021      10.08692759       2.69763838       1.54849734       0.89861197      -1.83371727 
O       7.56195086       7.34044784       9.27000128       2.64758027       0.37492017       0.10627565 
O       7.85714112       1.34198723      10.11216896      -1.99634948      -1.18493661      -0.97315849 
O       2.31808996       0.53297478       5.58987891       0.35991053       0.07742068       0.51806792 
O       6.37866672       6.44768594       0.73692067       0.88734600       0.21299541       0.04333646 
O       0.37962095       4.27484304       6.79260376      -1.18533953      -0.37013360       0.10376266 
O       7.63369068       3.87311040       0.30923904      -2.85702527       1.65154844       0.27125000 
O       9.22558009       2.57550257       6.82889093      -0.80421301      -1.60598739       1.67448188 
O       4.34947315       5.78296475      10.32095418      -0.11621020       0.20145538      -0.08109728 
O      10.22238927       0.68359432       0.67619473      -1.68960199      -0.16196659       1.50897115 
O       8.37707740       7.81506207       6.30930922       0.85845063       0.89082921      -0.94361238 
O       0.21158465       1.75855976       4.45543559      -2.89072155      -0.35995970       0.26442996 
O       8.53052362       0.79013476       4.38595737       0.82692380      -1.98175858      -0.06818415 
O       1.16324406      10.73739959       3.21599887      -1.18740610       0.72241920       0.13620500 
O      10.32133568       2.08412047       9.31375536      -0.44547819       0.31957048       0.12927450 
O      10.00375949       4.45534798       0.10921902       0.23563355      -0.62002621      -0.75626793 
O       1.93176304       9.39156671       9.02099204       0.72764100       0.02870360      -0.62197024 
O       2.54986190       2.72334039       2.16017569      -0.03097449       0.02344844       0.45956146 
O       2.88022623       6.08624126       4.87939978       0.40764706      -1.24189908      -0.56462789 
O       0.72670244       7.95325781       3.69897998      -0.22897627      -0.40892433       0.99562572 
O       5.48275050       5.94694251       5.24422763       0.06795125      -0.11819722      -2.20533361 
O       4.62894187       6.67850578       7.50251325      -1.19863775      -0.57306570      -0.35424921 
O       6.01759192       4.33917383       3.00818529       1.24499194      -0.10235189      -1.13486282 
O      10.63551002       2.54320065       1.83289468      -1.14012204       0.37718293       1.03097570 
O       9.62406190       5.51848704       4.76637604      -0.06345704      -0.05222957       0.82915643 
O       3.38992648       2.92269252       5.06214559      -0.30921417       0.99067904      -2.29531796 
O       9.40906271       5.03685048       8.65923904      -0.82997267       0.47239417       0.26123888 
O       0.42267989       6.87235254       6.41955938      -0.89670985      -0.14304194      -0.91030842 
O       2.42830267       8.37137086       6.51861924       0.65215326       0.07918471       1.25168723 
O       6.40053437       4.91972737       9.05155238       0.40803978       0.07466400       0.06649911 
O       6.77929972       1.86079858       7.48814323      -1.13363951      -0.07697131       0.82996228 
O       4.89746716       0.34003300      10.54254698       2.26810947      -1.24919288       0.47782391 
O       6.06356449       3.39042902       5.28602322      -0.11680421       0.29345777       0.11698179 
O       9.61156699      10.44894353       8.90587226       0.15147202      -1.04343303       0.50317993 
O       8.37685810       3.38426163       4.35637421      -0.80584602       0.56877579      -1.89727284 
O       3.95673717       5.43814192       2.26067956      -0.09824316      -0.49741866      -0.55909772 
O       2.30573574       0.65090440      10.54074732       0.91465503       0.66226370       0.45770675 
O       7.77196665       9.51768811       0.25449583      -1.80812357       0.20364213       1.19402791 
O      10.62804670       9.78928380       6.01383822      -3.14087038      -0.27116479      -0.56912634 
O       1.67608495       4.09824943      10.56853733      -0.99743675       0.12757710      -0.48423137 
O       7.45840592       7.02057978       3.35193855       0.52923670       1.78558044      -0.70334036 
O       3.73799189       0.31556580       2.59471518       0.85560911       0.47787651       0.35686511 
O       5.68059609       2.15397096       1.35366639       0.38139979      -0.13951192       0.61247888 
O       9.17582777       7.11074675       0.69953874      -0.10907498       1.11389593      -0.39795799 
O      10.32703961       7.74576243       8.67657633      -1.80252737      -1.28399845      -0.16838058 
O       0.31923351       5.82739669       2.35570172       0.01616840      -0.04085540      -1.07122929 
O       8.08831379       1.58950676       1.88458194      -0.06156779      -0.66274465       0.53955405 
O       0.13374811       9.29031007       0.20959446      -2.01524187      -2.34587323      -0.09370016 
O       2.18577098       2.86941047       8.34721611      -0.99804306      -0.33724281      -0.71136987 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.009228809550732898 -0.01131060843401367 -0.0022737281225468247 -0.01131060843401367 -0.0005003567456874477 0.00588252153204806 -0.0022737281225468247 0.00588252153204806 0.01433247805010038" pbc="T T T" energy=-947.28566329 free_energy=-947.28566382 config_type=amorph 
Hf       9.19739838       2.49982612       0.59038789      -0.73035552       0.96276590      -0.71756188 
Hf       3.95520219       7.32649915       1.02830511      -3.03316551      -1.02198042      -1.16891674 
Hf       7.39255230       8.15341006       1.70788095       0.04512153      -2.67562965      -1.93803224 
Hf       6.86539752       0.26159144       0.84892978      -1.65316607       0.86951276       1.49767881 
Hf       3.20168367       4.43135433       9.24478011      -0.74841277      -0.40973693       0.32544103 
Hf       0.15100690       4.17036379       9.02121948       0.04967738      -0.71569215      -0.06853534 
Hf       0.66755383      10.66160741      10.19902333       1.66254382      -0.26740903      -1.41795337 
Hf       4.41849291       7.58073237       5.50536701       0.34801484      -0.78279182      -0.44699652 
Hf       5.00719893      10.00796297       3.39415471       0.42117691      -0.29192193       0.93086951 
Hf       0.74014881       4.16953426       1.65945311       1.95709335      -1.04037204      -1.57630534 
Hf       0.05486502       8.03652546       1.86654463       2.54037745      -3.06029728       0.84612543 
Hf       1.91840168       1.96362386       4.10780856       0.43001846      -0.53493855      -2.30437415 
Hf       8.16632479       5.49424586      10.29475420       0.50540396      -0.23250505       1.66787909 
Hf       9.53150045       6.36636755       6.92571688      -0.79937095       0.03309823       0.99547089 
Hf       3.58601280       1.34859094       1.00761180       0.09231915       1.03304398       1.01755541 
Hf       9.54174256       3.41740231       5.57663165       0.69616539      -1.73454493       0.15143576 
Hf       9.97073422       0.35383361       2.72993563       0.35479880       2.26857381       0.42547184 
Hf       5.91209575       6.99315324       8.88375948      -3.50083455      -0.41910067      -0.11920140 
Hf       6.67019990       2.23692518       3.84423790      -0.52766478      -0.96966754      -1.36713018 
Hf       3.93023060       4.81568661       3.94578962       0.34558464      -2.21058486      -1.08455274 
Hf       6.05859727      10.48388767       6.59202128       0.77485458      -0.19113349       2.71319951 
Hf       1.57731268       7.65745059       7.80427845      -1.96167931       0.22385394       1.25673733 
Hf       0.84427479       6.06272735       4.44462417       1.56595182      -0.30660879      -2.93012848 
Hf       4.00272972       9.90436450       9.12050081      -0.26761291       0.22456883       0.94864054 
Hf       1.60756784       9.60302911       5.01623056       0.23380897       1.28539673      -1.93118950 
Hf       5.52176077       4.35150600       0.89643385      -0.11712712       1.49619017       0.11285554 
Hf       8.49881555       1.10585059       8.46919559      -0.14596672      -0.53039778      -1.43048579 
Hf       9.09760637       8.64690241       9.72654955       2.22587880      -1.27853613      -0.61217723 
Hf       7.59561851       5.42501223       4.38678397      -1.10700629       1.20391458       0.53096787 
Hf       8.86426047       9.53904855       5.22160949       0.20534392       0.24371437       0.70141173 
Hf       6.37985321       3.42411013       7.33357587       1.52131413       0.60916054       0.29569341 
Hf       3.20076511       1.96301427       7.04077337       0.49837910       0.40594662      -2.40146029 
O       9.55968150       9.28756981       2.76951543      -0.41361669      -1.33024467      -0.10815649 
O       4.22672547       0.18705241       7.43216609      -0.72326537       0.15636346       0.79494343 
O       1.92452401       5.86165764       8.55202095       0.28119230      -1.12106709       0.35277034 
O       6.10944185       0.56652832       4.89429764      -0.69568581       1.29441815      -1.44601358 
O       3.97165208       8.03940359       9.83101826       0.89306207       0.00981550       1.04198246 
O       2.18507248       7.99921671       1.39550356       0.83496987      -0.30212780       0.04507380 
O       5.60067459       8.92903116       8.16366715      -0.12491781       1.66234768      -0.63911554 
O       8.12894318      10.18728891       7.00361226      -1.28156947       1.01327162       0.20273971 
O       5.99391332       9.04889409       5.12215239      -1.79609278      -1.51269996       0.55648626 
O       4.46151168       3.02980823      10.85300530      -0.77101280      -1.06194526       0.43556295 
O       3.45722051       8.78161500       3.94457143       1.35302825       0.10359616       1.94417515 
O       7.85592488       4.93284598       6.56162042       0.39797582       0.86626094      -1.43014486 
O       5.21957077       8.43886541       2.04192168       0.14514826      -0.80767675      -1.10086303 
O       4.29590818       3.54087650       7.78774258       2.09429916      -0.90268065      -0.55397748 
O       1.70888104       4.37661720       3.42418699      -0.11461205       0.75855835       2.03864545 
O       7.02628154       9.78567764       2.55326722      -0.41813558       3.02452443       1.28877124 
O       7.86324163       7.33073780       8.75954944       0.21908519       0.50019548       0.46590106 
O       7.73933156       1.36907537      10.39677980       0.96774521       0.34015175      -2.66474534 
O       2.63638906       0.62447133       5.52474985      -1.53997981       0.15119925       0.50787000 
O       6.56685221       6.50177755       0.31550240      -0.70764837       0.77478297       0.15962822 
O      10.57472622       4.26227148       6.96891521       0.20584854       1.77719568       1.93836585 
O       7.49391100       3.85062025       0.53236063      -0.23355866       0.24135537       0.65518257 
O       8.40253405       2.48213296       6.94918236      -0.29200851      -0.65127090       0.41391869 
O       4.31902149       5.63250012      10.23846027       1.12668617       0.64691116       1.34196432 
O      10.40277826       0.85905681       0.55593294       0.04961304      -0.99079953       0.92258244 
O       8.45311634       7.60494597       5.62732272       0.62422194      -1.74901518       0.12904576 
O       0.18238928       2.38684004       4.86671087       0.21254075       0.09735370       0.56188873 
O       8.91562724       0.51908775       4.36050832      -0.41103778       0.16755330       0.47095386 
O       0.93262169       0.03793202       3.55209687      -0.32865146       0.73704622      -0.67147780 
O       9.88875316       2.40850902       9.10227222       0.31627081       1.00198513       1.37367848 
O      10.06063956       4.42148785       0.17605785      -0.92145138      -1.45606431      -0.45821223 
O       1.68954814       9.41113346       8.78687849       2.22180734       0.90828825       0.84451068 
O       2.15918223       2.46032242       2.02380643       1.38513631      -1.20215456      -0.83476748 
O       2.96051087       6.17020675       4.90875126      -0.85927810       1.28345141       1.22888074 
O       0.92626160       7.98217580       3.94403794      -1.17266664      -0.43655367      -1.20463969 
O       5.48709749       6.09863987       4.48709709       0.50207127       0.07076608       0.25478154 
O       5.09685381       6.47461406       7.16403249      -0.54251792       0.72016400       0.17628403 
O       5.56947329       3.83474249       2.94319715       0.90038043       0.08954585      -0.98920104 
O      10.36470304       2.69401344       2.19736547       0.22501211       0.66943115       0.38926227 
O       9.80400264       5.35160987       4.66821465      -1.06713122       0.30874644       0.42419116 
O       3.43785678       3.01796774       4.98211693      -0.62052789       0.05316019       1.07195310 
O       9.67405632       5.74458805       9.07294777       0.94850120      -1.90398127      -2.51800643 
O       0.59713914       6.61410931       6.24738225      -0.20935971       0.98702707       1.98419735 
O       2.61506608       8.62234760       6.39936242       2.07133432      -1.46416253       0.93939668 
O       6.59336302       4.85827667       9.10136995       0.81039672      -0.20273485      -1.04342994 
O       6.40801071       1.32755424       7.83999501       0.96753052       1.17715373       0.30717663 
O       5.08730629       0.04175400      10.61496381      -1.35843154      -0.33976138       0.34395529 
O       6.01376125       3.27361434       5.43622523       0.03348956       0.36066269       0.35448503 
O      10.01704562      10.46566657       8.96240025      -2.43553612       0.10573725       0.08387410 
O       8.25367475       3.47200829       3.95579680      -0.93985740       1.18617001      -0.08214859 
O       3.71621717       5.43531395       2.00858646       1.72372835       0.92942312      -0.88328422 
O       2.43992896       0.89596899      10.20189582       0.72701015      -1.33456796       1.01032040 
O       7.60292256       9.46092106       0.03469704       0.82666141      -1.05702347      -1.26019047 
O      10.63711502       9.66523683       5.87856273       1.17450035      -0.32036030      -0.11179683 
O       1.70686089       4.06733724      10.55132783      -0.75818919      -0.19133476      -0.08199161 
O       7.67065985       6.62936489       2.80999338       0.67189452      -1.54486580       1.94681186 
O       3.52457111       0.31687942       2.97035423      -0.66623548       1.50281011      -2.29740406 
O       5.67716114       1.34858953       2.19679790      -0.53631591      -0.57410666      -0.85776539 
O       9.21437372       7.33367445       0.52890614      -1.31859321       0.73292616      -0.49021733 
O      10.45702382       7.81673243       8.26540006      -0.43448301       0.40489637      -0.50366218 
O       0.26239980       6.05774320       1.94487828      -0.23262334       0.75094733       1.92744826 
O       8.24532534       1.30561961       2.03778638      -0.76223314       0.53708264      -0.49197229 
O       0.20799694       8.95478419       0.20565045      -1.01246352       2.01069226      -2.16888705 
O       1.88425711       2.94572440       7.99109224      -1.12570268       0.12562682       1.13835188 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0032018871973294 -0.01856060263515237 0.003526542646202618 -0.01856060263515237 0.01561054562605686 0.00574301908450367 0.003526542646202618 0.00574301908450367 0.013921234719342625" pbc="T T T" energy=-950.32030508 free_energy=-950.32030529 config_type=amorph 
Hf       9.34328977       2.45753950       0.31326686      -1.56406808       0.06857116       0.98416858 
Hf       3.82256740       7.28247389       1.12255365      -0.69390498      -1.06809422       1.65918469 
Hf       7.26926550       7.88852914       1.71678263      -0.52370787       1.76698763      -0.02018229 
Hf       6.89080955       0.46713604       0.82354076      -1.49986623      -1.48006319       0.04368883 
Hf       3.34310082       4.34211308       9.48091848       0.20009241      -1.04002041      -2.58452001 
Hf       0.26906735       3.98580422       8.86613265       0.89046318      -0.01127831      -1.57761378 
Hf       0.58081366      10.84026916      10.05484812      -0.25171537      -0.35053333       0.28837393 
Hf       4.20815240       7.43890376       5.67670235      -1.35324556      -3.98848567       0.48187323 
Hf       4.99807318       9.91830971       3.72818241      -2.09927398      -0.52526285      -2.69891542 
Hf       0.91017986       4.25704436       1.61473163       0.01414957      -1.25227655       0.28987732 
Hf      10.84561396       8.05008246       1.89513030       0.05576880      -0.31358082       0.25146797 
Hf       1.93587988       1.96032786       3.81305604      -0.12752140      -2.12341775      -2.16635775 
Hf       8.29240928       5.40565013      10.27333069      -0.66730387       1.38360938      -1.83548515 
Hf       9.10012592       6.52469772       6.93949773      -0.08036320       0.03403063       0.85801888 
Hf       3.70387197       1.27055475       1.19210711       0.66602603       0.74216283      -0.20696399 
Hf       9.86425328       3.39982564       5.39121290      -0.80618767      -1.21502663       0.16551883 
Hf       9.98728030       0.75287203       2.86415805       0.68079327       0.16249635       0.51573515 
Hf       5.67206483       7.13697909       9.01271602       1.17314177      -1.04002240       0.84124562 
Hf       6.85729476       1.94101754       3.77319310       0.39024215       0.59764791      -1.08842344 
Hf       4.39945628       4.57150867       4.02930534      -1.93056446       1.17840570       1.10623258 
Hf       5.99283745      10.50734013       6.77842839      -1.91173198       0.60532134       1.51057826 
Hf       1.25789211       7.55175652       7.87206319       0.06352983      -1.62365086       2.62777000 
Hf       0.89437234       6.01648587       4.34419207       0.19816641       0.82805123       1.06257858 
Hf       3.88069389      10.03624868       9.32937973      -1.77055783       2.44656433       1.95635064 
Hf       1.69344319       9.53156873       5.02854873      -2.62001898       2.40841405      -0.29360301 
Hf       5.56532681       4.56499583       0.95973850       0.30433036      -0.73980249      -0.91942837 
Hf       8.37765496       1.11138832       8.15717287       4.00638520      -0.44063932       0.45853713 
Hf       9.03505516       8.78982209       9.81873928       2.07581868      -0.96087615      -0.96335884 
Hf       7.46609591       5.23743318       4.29379054      -1.15570088      -1.71407486       2.01136853 
Hf       8.98190881       9.56529044       5.08970739       1.49259956       0.96133975       0.08431170 
Hf       6.60842546       3.53612456       7.25957869      -1.29275811       1.94543003       0.04752105 
Hf       3.17019294       2.20105956       6.71729100       0.56790893      -2.09894289       3.15778706 
O       9.43992030       9.30254573       3.03746001       0.07595007       0.06598245      -0.71262665 
O       4.13642441       0.51152662       7.70576911      -0.03284894      -0.54847370      -0.95001248 
O       1.89501338       5.67607615       8.48064916      -0.53190537       0.84692044       0.74350301 
O       5.88524298       0.45465035       4.82688278      -0.27474511       0.55573714       1.99300656 
O       4.37213776       8.33053683      10.42774866       0.20740496       0.37514340      -0.96348398 
O       1.92913417       7.77349675       1.31237509       0.54680764      -0.06950199       0.19447685 
O       5.38393263       9.15242720       8.39236435       1.95388522      -0.10184366      -2.13497012 
O       7.99012917      10.37887657       6.96890295      -1.32734448      -0.26192958      -0.82672955 
O       5.28869095       8.97266571       5.53239990       3.05328379       2.69803776       0.72878492 
O       4.45326584       3.23761019      10.81214749       0.16482224       0.06399332       0.25183110 
O       3.24564738       8.85449496       4.18186915       2.47257962      -1.58774032      -0.68348733 
O       7.42700975       5.21097991       6.40437621       1.78531322       0.85134908      -0.58788805 
O       5.33909661       7.79954388       2.41994609      -2.15082117       0.21238110      -1.06900224 
O       4.53121181       3.36193400       7.54225167       0.99769836       1.11448658       0.41188623 
O       1.57972463       4.15965898       3.53956396      -0.85359623       0.74067033       1.10599581 
O       6.54479176       9.91802593       2.49840046       0.98923299       0.24092165      -0.72703701 
O       7.92727669       7.35457393       8.69376857      -1.98426986       0.22045663       0.74505844 
O       7.90088650       1.23287698      10.10078346      -0.04372231       0.64050767       0.93431569 
O       2.31139050       0.62974687       5.37280073       0.15583001       0.06253502       1.54681906 
O       6.64520454       6.39058473       0.32487698      -0.57878241       0.53770161       0.70590566 
O       0.29369121       3.58171487       6.81795315      -0.41257853       0.86140966      -0.16045527 
O       7.52712419       3.85698957       0.42552708      -0.20978059      -0.41881057       0.55140494 
O       8.61177720       2.60170114       6.78394538      -0.86044522      -0.11163502       0.38865895 
O       4.39975559       5.84763339      10.38379103      -0.47817040       0.14275660      -0.03126752 
O      10.36022599       0.74180581       0.77177676       0.39454315      -0.11607412      -0.23733168 
O       8.28243424       7.88399856       5.69483996       0.08945577      -0.94642645       0.72481143 
O       0.03402731       2.09012719       4.29310887      -0.92916200       0.02205633       1.50156069 
O       8.50875715       0.65358299       4.32537789      -0.18546758      -0.60492409       0.65204364 
O       0.88263379      10.79985602       3.33441019       0.28492628      -0.38867939      -0.04898630 
O      10.15056976       2.12778357       9.25797243       1.04853079       0.76824589       0.28337232 
O       9.96450603       4.41956172      10.78646568       2.41959703      -1.00237146       0.71396063 
O       1.85195281       9.55229874       9.16475895       1.06684503      -1.74103081      -1.87580838 
O       2.40550865       2.62170920       1.81724589      -0.54122601      -0.20924123       1.18098674 
O       3.03664188       6.00770763       4.73826218      -1.63514564       0.08622769       0.12693235 
O       0.69140949       7.98318598       3.93863484       0.41656168      -0.60405453      -0.44693331 
O       5.56404587       6.13289984       4.70880106      -0.62762047      -1.06064059      -0.06775550 
O       4.77710788       6.49447002       7.46684153      -0.53643452       0.95667120      -0.39432338 
O       5.99701325       4.12609741       2.97969732       0.99176987       0.43463353      -2.03744373 
O      10.47138548       2.82640125       2.10148891       0.01150907       0.79870430      -2.01923690 
O       9.53694611       5.41405979       4.95404520       1.35972638      -0.47079777       0.10668527 
O       3.40136073       2.77995013       4.85610507       1.37016406       2.54196876      -0.68368309 
O       9.38734206       4.99227317       8.46315631       0.64473957       0.58871590      -0.49070052 
O       0.37924966       6.70587315       6.35270080      -1.03081543      -0.81511072      -1.15472500 
O       2.58639519       8.27949292       6.65607349       0.63566554       1.51722191      -1.33906866 
O       6.74951887       4.97003478       8.88539358      -0.71182269      -0.53646071       0.41145175 
O       6.50120205       1.54658027       7.91467061      -0.40313836      -0.76466192      -0.99944471 
O       5.05129769       0.27949022      10.85148107      -0.15468012      -1.14153377      -1.62153373 
O       6.03217429       3.37117222       5.27565572      -0.11802780      -0.62162095      -0.38636300 
O       9.88574421      10.37235157       8.79034124      -1.21809624       0.40995944       0.74478015 
O       8.28483436       3.27190718       3.88356214       0.87001833       2.02192313       1.04750098 
O       3.78326184       5.28996484       2.04380417       1.45713630       0.09778510       0.07695720 
O       2.50693595       0.51173224      10.64092940      -0.31183909       0.11654375      -0.36893943 
O       7.62962270       9.53002116       0.12551008      -0.77294066      -0.64375549       0.54708901 
O      10.70357691       9.71171172       5.97386672      -0.34175058      -0.32863373      -0.43463200 
O       1.78794153       4.09779259      10.62874433      -1.33216107       0.20284590      -0.34153538 
O       7.66484812       6.71970654       3.15472132       1.15316657       0.56849766      -0.74852101 
O       3.45744850       0.23431939       2.88985615       1.19196426       0.49974487      -0.25994526 
O       5.61905615       1.69428738       2.05189303       0.73664678       0.11187180       0.80013866 
O       9.03909416       7.19808402       0.74469523       0.73970557       0.60838019      -1.04880700 
O      10.29040416       7.68674670       8.57633486      -0.00759507      -0.45162645      -0.58920454 
O       0.12219336       6.00907358       2.40010771       0.28039730      -0.15051562      -0.15366237 
O       8.21449903       1.43591170       1.97762574      -0.56831905       0.65594981      -0.82664605 
O      10.74465250       9.16123486       0.11402297      -0.35072276      -0.31528108       0.64415185 
O       2.16178265       3.02549272       8.18883991      -0.46027677      -0.36446488       1.55760932 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0006825032869684476 -0.01816720902185318 -0.0025962598667324155 -0.01816720902185318 0.013677044781154257 0.012130421882136606 -0.0025962598667324155 0.012130421882136606 0.013255748432651203" pbc="T T T" energy=-946.22389153 free_energy=-946.22389196 config_type=amorph 
Hf       9.06651179       2.40759730       0.39017463       2.49275233       1.86932172      -0.64730487 
Hf       3.88234482       7.26251762       1.07733961      -1.42768401      -0.70979723      -0.50505656 
Hf       7.15697380       8.09781452       1.82661678       0.25445863      -1.26645605       0.73994763 
Hf       6.69504002       0.46641485       0.87264018       2.94231965      -3.54346833      -1.57945228 
Hf       3.42377217       4.26722849       9.21798726       0.71743051      -2.45795861       1.23952480 
Hf       0.33932669       3.74947184       8.79015776       0.03329134       0.08941526      -1.21291533 
Hf       0.67807071      10.78842254      10.25935442      -2.17309750      -1.39056953      -2.61665143 
Hf       4.25354926       7.52902525       5.56724361      -1.51368008      -0.71294674       2.00690772 
Hf       4.94639233       9.89476704       3.59240676      -1.99322669       1.84052682      -0.37293297 
Hf       0.76867347       4.09860986       1.39557478       0.01199659      -1.66716558       2.50266127 
Hf       0.13510048       7.82620482       1.92703010      -0.04957909       1.02746679       0.12112329 
Hf       1.90826911       2.09030165       3.91033925       0.97631064       1.58562520      -1.89519957 
Hf       8.40775618       5.41521990      10.10639207       0.66094700       1.83873539      -0.88543784 
Hf       9.11933136       6.65866469       7.02039185       1.36893859      -0.97308902      -1.11187997 
Hf       3.87624604       1.55418157       1.13312015      -2.93234350       1.41238176      -2.37083984 
Hf       9.84245251       3.02207416       5.54546282       0.77248898       2.56866163      -1.22836913 
Hf      10.08562689       0.60287206       2.81284556       0.04118297       0.07540817       0.00084431 
Hf       5.64216630       6.93833740       9.01484550       0.34794233       1.66947965       0.96567519 
Hf       6.83088579       1.92308283       3.73584179       1.11467514       2.78367803       1.00182459 
Hf       4.40938768       4.68525806       4.16572997       1.69784291      -0.48925979      -1.06676835 
Hf       5.90295741      10.71521493       6.83370302      -1.34796731      -0.90850571       1.34399540 
Hf       1.41307588       7.50242315       7.95888803      -1.46380711      -1.01929463       0.23224210 
Hf       0.88681034       5.96567929       4.41980826      -1.41436029      -1.56237244       1.81163945 
Hf       3.74968691      10.08415694       9.31426474       1.52225277      -0.90048465       1.78937843 
Hf       1.46603550       9.76493146       4.91487534      -0.78991520      -1.70408038      -0.09593733 
Hf       5.79499110       4.75826536       0.83833679      -1.29359837      -0.87884020       1.60303208 
Hf       8.43734823       1.00466354       8.16417468       2.03285404       0.07841577       3.41646279 
Hf       9.11246949       8.62807401      10.01087758       0.68153287       1.68823873      -2.88254789 
Hf       7.71941524       5.38770662       4.28803612      -1.37656363      -2.36619175       4.26600467 
Hf       8.69054814       9.66297805       5.03887269       2.04730858       1.26404604      -0.26614538 
Hf       6.54437976       3.74381915       7.14149251       0.08085362      -1.15885921       0.94540407 
Hf       3.09451248       1.98321807       6.91199780       1.57843976       1.44232834      -2.39194065 
O       9.70842680       9.39390300       3.11862869      -1.72221287       0.76533014      -0.90317884 
O       4.00382849       0.58388981       7.90743702       1.25675651      -0.96015587      -1.36965249 
O       2.23522497       5.53002637       8.49282924      -2.44801306       2.14924205      -0.54016527 
O       5.58019352       0.77588242       5.05481418       0.39674428       0.36881849      -1.10030319 
O       4.32724757       8.31150367      10.25166182       0.09324217      -0.93125010       0.33697071 
O       2.01175804       7.87456829       1.35689497       1.87027058      -0.92964632      -0.30541213 
O       5.22746943       9.02072975       8.01769000       0.39281159       2.14616220       0.23941153 
O       7.92810210      10.42331199       6.94402049      -1.71866294      -1.04396564      -1.30221504 
O       5.45721503       9.15151114       5.38412554       1.28914881       0.10880362       0.61897721 
O       4.83306863       3.24632818       0.13513620      -1.82164143      -1.85254601      -0.52070809 
O       3.30728448       8.82503709       4.22666684       0.15597380       0.28246753      -0.50674128 
O       7.50126000       5.37121755       6.50949913       0.26917910       0.70927583      -0.34563244 
O       5.18397221       8.30604205       2.13962145      -0.45732910       0.53169166       0.81508200 
O       4.51974217       3.31627171       7.63457504       0.22263247       1.43480286       0.12112887 
O       0.98350264       4.04879880       3.71102989       1.10851515      -0.72322453       0.50929561 
O       6.85900334      10.02930278       2.89576309       0.08528290      -0.50027696      -0.54949475 
O       7.74597956       7.32726475       8.85536358      -0.05273436      -0.20070636      -0.21375069 
O       7.68510946       1.34535552      10.24036002       0.72110914      -0.33585335      -1.15058601 
O       2.30958324       0.78289356       5.44857108      -0.51083124      -1.81531991       0.72772911 
O       6.55930704       6.68157444       0.33006914       0.10769642       0.59114873       0.67861137 
O       0.50624185       3.73977581       6.66846234      -1.04946828      -1.46084127       0.84469204 
O       7.62205614       4.17999512       0.60572315       3.59008487      -1.98576153      -0.58373692 
O       8.46856853       2.52564440       6.96046017       1.16373230       1.73298067      -1.56643167 
O       4.37059605       5.62404682      10.35799588      -0.73918614       2.54299904       0.08617467 
O      10.34324696       0.68285935       0.72552301      -0.64061414       1.36664913       1.02410413 
O       8.32193565       7.85528631       5.28979244      -0.22811428      -2.88819674       1.90395204 
O       0.02030238       1.74498095       4.34369051      -0.99774509      -0.36808542       1.27519486 
O       8.43689748       0.89199045       4.47658889       0.15696813      -0.59734770      -0.84964778 
O       1.13524050      10.63922007       3.13448940      -0.86315555       1.25670688       0.26380241 
O      10.15153706       2.07133428       9.15677214      -0.11372001      -0.31644179       0.34998165 
O      10.18175021       4.19624688      10.67487562      -0.92478029       0.66320640      -0.10430951 
O       1.91398466       9.46505028       9.04163715      -0.73568410      -1.20356590      -0.91052184 
O       2.35753471       2.85141941       1.99607417       1.34713061      -1.58587048       0.29565877 
O       2.88144409       5.90125274       4.77591205       1.21594455       0.91253530       0.36706892 
O       0.70367718       7.87549673       3.89990390       0.31973753       0.36542884      -0.46609347 
O       5.58772360       6.29918544       4.75612361      -0.46489794      -0.55851761      -0.51060512 
O       4.56586467       6.60228239       7.47897232      -0.33037325      -0.49018527      -1.22450512 
O       6.11032490       4.06305820       2.78562996       0.68591516      -1.00113395       1.10419168 
O      10.25438785       2.81658514       2.11613230       0.35121915      -0.23161463      -1.86620188 
O       9.84098245       5.31190848       5.16940471      -2.09000198      -0.16799363      -0.62118452 
O       3.30036540       3.08494704       5.05982167       0.23010068       0.17786962      -0.64588283 
O       9.37237950       4.93467050       8.27816562       0.62501492       0.42052593       1.43794923 
O       0.36459227       6.67681121       6.50243240      -0.44417755      -0.20094868       0.11950930 
O       2.17619448       8.30473896       6.40601140       1.96087730       1.15717422      -0.35096077 
O       6.61670289       4.91560445       9.15873703      -0.32524617      -0.01471798      -1.22043427 
O       6.57052145       1.64280803       7.95478248      -1.59400415      -1.37115105      -1.06002962 
O       5.10300112       0.36965817      10.66438718      -1.96021923      -0.74077185      -0.56683047 
O       6.08508093       3.67791658       5.13857243      -1.01213214      -0.77276989       1.41048764 
O       9.88324887      10.18001091       8.81153850      -0.75182795       1.45587057       1.85865891 
O       8.33970719       3.48555182       4.25159870       0.07829805      -1.16803296      -1.00056364 
O       4.41086642       5.50723908       2.23529868      -2.22955454       2.07530383      -0.87579211 
O       2.47759674       0.41861190      10.73952841       2.05659635       0.88544158       0.38847698 
O       7.47182666       9.32808044       0.35818039       0.95281798       1.29781999      -1.26849570 
O      10.44159823       9.78337023       5.88002877       1.16209567       0.38394741      -1.20613337 
O       1.82671003       3.74753691      10.54534695       0.21663337       0.93455770      -1.65656019 
O       7.91705478       6.57302992       2.91772714       0.47397163       2.69746521      -3.38435836 
O       3.60889052       0.40209155       2.64492651       0.06154658      -1.16392488       2.00510597 
O       5.62477506       1.48615658       2.08257409       1.26888811       1.47309457       2.30992449 
O       9.40081774       7.12802585       0.32979567      -0.39682114      -2.00444004       1.68381111 
O      10.18724451       7.62612836       8.51180095       1.42563376      -0.06268219       0.37479453 
O       0.33648503       5.82892874       2.24019588      -0.27002126       2.01076444      -0.13049993 
O       8.24254981       1.44886942       1.85822464      -2.12361755      -0.80789167       2.69680857 
O      10.83479049       9.17018278       0.29176529      -0.31130222      -0.82891724       0.15237038 
O       2.12709582       2.62877702       8.34373284      -1.67314560       0.83233043       2.05900436 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0026832090383727063 -0.012993870132498192 -0.00125345367915632 -0.012993870132498192 0.004114433717493926 0.005911551352728365 -0.00125345367915632 0.005911551352728365 0.019602706026454086" pbc="T T T" energy=-950.77019832 free_energy=-950.77019855 config_type=amorph 
Hf       9.30420784       2.43509723       0.39229369      -0.65329346      -0.56357042       0.00134013 
Hf       3.79684271       7.22534988       1.06883952       0.40414296      -1.29698719       1.94081269 
Hf       7.23004016       7.92089228       1.89241936      -0.85462962       2.82338585      -1.99484321 
Hf       6.77241212       0.30780187       0.70096081       0.56466444       1.81637608       1.48062812 
Hf       3.34812406       4.24997317       9.39571351       0.03284358       1.02417028       0.26581992 
Hf       0.22081668       4.03939654       8.76013742       1.61014542      -0.78491699       0.18347052 
Hf       0.56958297      10.60880076      10.15661371       0.87047842       1.54130402      -1.59146482 
Hf       4.24077990       7.44319908       5.51986471      -1.49929586       1.41819791       1.10421169 
Hf       4.93342104      10.01999280       3.56360147      -0.86311398      -0.60005057      -0.93263124 
Hf       0.83121274       4.12683195       1.66966091       1.13438180       0.87943308      -0.09126019 
Hf       0.10025134       8.04920559       2.02196410       0.68563036      -2.59822056       0.79211331 
Hf       2.07578561       1.76139359       3.81894019       0.40800425      -0.13028562      -1.68568257 
Hf       8.30046828       5.49688255      10.28256782       1.01130200       0.30026953      -0.03306022 
Hf       9.40424347       6.31771367       6.92573121      -0.47235542       0.36356060      -0.65138620 
Hf       3.72230716       1.49619339       0.93577351      -0.09721201       0.27128609       1.19718100 
Hf       9.86587294       3.25353572       5.24118492      -0.35155042       1.41150312       1.60651275 
Hf      10.04007359       0.71464243       2.92949262      -0.14726821      -0.05241065       0.53629072 
Hf       5.50464800       7.32875836       9.05831448       1.19304512      -0.75578565       0.00230027 
Hf       6.93855214       2.00589506       3.59134110      -0.16607626       0.60258631      -1.34799885 
Hf       4.37188198       4.69776904       4.03621682      -2.75899951      -1.37046100      -2.08344493 
Hf       5.91946006      10.72073105       6.67150494       0.40526921      -0.38190354       0.18063532 
Hf       1.45365729       7.40703773       7.93452929      -0.24194887       0.90634743       0.17032957 
Hf       0.72736425       5.96679423       4.51746146       1.45544155      -1.18000599      -2.02957374 
Hf       3.95754196      10.07724393       9.24882606      -2.56073851       0.20831608       1.19355700 
Hf       1.54801179       9.62218820       5.06698774       1.67710453      -1.57779500      -1.21046849 
Hf       5.87586872       4.50279723       0.77553100      -1.84742269      -0.23137101       2.38598794 
Hf       8.63331025       1.24355042       8.17753583      -1.99768990      -2.60457004       0.20300568 
Hf       9.04228615       8.59950071       9.84359514      -0.43729913       0.02361380      -0.35955740 
Hf       7.27344444       5.31375015       4.58452230       1.76142383      -0.60744234      -0.29102961 
Hf       8.85041590       9.46677394       5.16001005      -1.14441811       1.83514613      -1.04662741 
Hf       6.36125007       3.79195159       7.42478322       1.13867901      -1.84237340      -0.40170693 
Hf       3.13462663       2.04312967       6.81887605       1.00166429       1.03760503       0.46629889 
O       9.35848835       9.29009706       2.87175978       0.93463128       0.02820362       0.51783357 
O       4.19892167       0.60273005       7.82630286      -0.47015990       1.00642936      -1.96754764 
O       1.85628124       5.55792538       8.61666940      -0.25205594       0.95082554      -0.60885257 
O       5.53456835       0.79386555       4.63337572       1.19567189       0.70662266       1.83280343 
O       4.34031103       8.40447419      10.38750401       0.06565839       0.62246486      -0.83882656 
O       2.07146325       7.82381990       1.56051973      -1.16668043       0.76741952      -0.73048516 
O       5.40992395       9.16636276       8.12722875       0.20192634       1.21096511      -0.34589342 
O       7.91468223      10.39972784       6.78224494      -0.36482700       0.86657520       0.24855063 
O       5.65875515       9.13683920       5.33318011       0.26064951       0.05180516       0.21604589 
O       4.60230557       3.19528916       0.04623605      -1.77440718      -0.24481552      -1.82114027 
O       3.37992071       8.93735278       4.32554616       0.30658339       0.29774514      -0.58560648 
O       7.45768560       5.28291851       6.66309995       0.76953585       0.77660327      -1.02920889 
O       4.96242816       8.18880886       2.44278722       1.85765000      -0.40215631      -1.55333752 
O       4.43737842       3.64804910       7.55362284      -1.65952504      -0.77225102       0.54932567 
O       1.11742554       4.19832598       3.75891883      -0.05420449      -2.02758082       0.27946593 
O       6.81841845      10.16824164       2.47357272      -1.56646045      -1.44284680       1.30759564 
O       7.57166807       7.37543269       9.09466734       0.71788276      -0.74497441      -0.32484897 
O       7.83423202       1.29503911      10.15450584       0.93827212       0.67671064      -0.46582470 
O       2.51723549       0.48806016       5.54516796      -0.08132573       1.54240857       1.02287902 
O       6.60322711       6.48571925       0.50593549      -0.75881280      -0.66634438       0.54339664 
O       0.05721672       4.25154387       6.70876050       0.41646464      -1.00717394       0.97327105 
O       7.77335073       3.89259029       0.67446933       0.13468731       0.62778830      -0.51283520 
O       8.77706336       2.70274315       6.93522749      -0.26309926       0.47447703      -1.91411963 
O       4.31436052       5.99255693      10.14073433      -0.41569070      -1.84146465       0.50552438 
O      10.52393614       0.74158793       0.81198720       0.23824372      -0.42561739      -0.73098349 
O       8.42703990       7.80037385       5.91702693       0.41888411      -1.53634732       0.75045548 
O       0.20177657       1.88642241       4.55175074      -0.64955693      -0.59225935      -0.02661654 
O       8.51678283       0.82791533       4.33895876       0.27006158      -0.73923518       0.92764305 
O       1.02772343      10.79113294       3.39963326      -0.25234618      -1.20694026      -0.71152277 
O      10.16312058       2.17000287       9.05720008       1.13468529       0.86898747       1.56493194 
O      10.21387723       4.19067626      10.84004541      -0.37479739       1.16521292      -0.92349711 
O       2.05339229       9.41587356       8.74340831      -0.74169818      -0.98330776       1.03155579 
O       2.38358411       2.74615460       2.00609405       0.50394216      -1.39108467      -0.14232003 
O       2.92017894       6.02098529       4.76468603       0.57392378      -0.07450172       0.48399655 
O       0.85344635       7.85122516       3.98728036      -0.94796101       2.48467317      -1.25192429 
O       5.48330308       6.26157368       4.47206580       0.22652836       0.82146131       0.56440055 
O       4.71413663       6.60702238       7.46018202      -0.33602958       0.45692107      -1.37803664 
O       6.04339315       4.08042545       2.86092741       0.29856577       0.90830333      -0.84861037 
O      10.32800061       2.80184296       2.12431463       0.84181389      -0.23609721       0.64018712 
O       9.61343873       5.43066634       5.05782378      -1.16858945      -0.04635487      -1.02687153 
O       3.22971838       2.96171256       4.84609235       1.03202494       0.27480842       2.08551698 
O       9.40843370       5.19432310       8.60094754      -0.54242051      -0.64108767       1.14906626 
O       0.48872641       6.74716152       6.27999400      -0.64551400       1.20742563       3.34690017 
O       2.50011164       8.24985408       6.44057296       0.01368268       0.10091867       0.71881192 
O       6.65404672       4.53661404       9.26784413       0.06766429       0.74696580       0.54101542 
O       6.49509687       1.60214357       7.78195060       1.17682187       0.86014398      -0.85379357 
O       4.96644013       0.06144343      10.83617674      -0.68546127       0.63389341      -0.36703118 
O       5.78598032       3.84745876       5.20996246       1.38714943      -0.86985463       1.72444558 
O       9.80238319      10.37261473       8.90185106      -0.05359210      -0.13707404       0.64318673 
O       8.27388941       3.57535239       4.03285374      -0.64162223      -0.49385939       0.53833294 
O       3.86888228       5.33420495       1.99954333       1.26259415       0.56662178      -0.09445176 
O       2.46252062       0.59124630      10.29662182       0.63427912       0.32619863       1.28490644 
O       7.43822882       9.45132523       0.14059945       1.84211158      -2.55583512      -1.21449470 
O      10.58510013       9.90117957       5.72662522      -0.23157220      -0.07315083       1.00140899 
O       1.85060695       4.12864529      10.64205901      -0.29273630      -0.54666219       0.28021528 
O       7.74380319       6.78563017       3.22880655       0.51569509      -0.98338750       1.13965754 
O       3.44304330       0.40657176       2.71063497       0.92856320       0.66186805      -0.64258169 
O       5.71253800       1.83314807       1.86519084       0.05107890      -1.33188671       0.05840274 
O       9.09636115       7.12970663       0.49779039       0.04280876       0.45221325       0.58027572 
O      10.33635795       7.50959052       8.60039788       0.45917255       0.77201096      -0.74724181 
O       0.25329197       5.92690991       2.35034041      -1.00128512       2.55175920      -0.65759560 
O       8.39383235       1.53142500       2.08350296      -3.06969860      -0.32097268      -2.33478630 
O      10.75124373       9.05629878       0.18035067       0.19716615      -1.08504257       0.74377976 
O       2.12070967       2.89939954       8.32098540      -0.58091645      -0.94630593      -1.17660049 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.017557761538146643 -0.011305718448790887 0.0007318506803666374 -0.011305718448790887 0.014893354571660968 0.007935465862466292 0.0007318506803666374 0.007935465862466292 -0.0029279613802238804" pbc="T T T" energy=-947.4939522 free_energy=-947.49395245 config_type=amorph 
Hf       9.24343566       2.42331731       0.48374280       0.29557365       0.99477108      -0.18012577 
Hf       3.76576496       7.25213090       1.05915314       0.73987975      -1.62608894      -1.74203405 
Hf       7.05556701       8.07874423       1.79078003       0.59526149       2.74948228      -1.59417178 
Hf       6.77016539       0.44367837       0.80843272       0.90608899      -1.70805337      -0.25774080 
Hf       3.35298597       4.30713572       9.24435096      -0.86729861       2.37158888      -0.81934081 
Hf       0.09838991       3.78008570       8.81329311       2.10632743       0.64815021      -0.78953126 
Hf       0.65848822      10.67230017      10.22865057      -0.10850493      -0.44731159      -0.88418816 
Hf       4.29625341       7.47306124       5.58747032      -0.54172773      -0.10758655       2.02652735 
Hf       4.86432312      10.06515212       3.56387049       0.75875153       1.50238446      -0.15108268 
Hf       0.98937268       4.29279990       1.60024696      -0.20406390      -0.07977012      -1.44852667 
Hf      10.82089088       7.65524784       1.79482175      -0.26794857       1.74938652      -0.39940940 
Hf       2.05775851       1.80211928       3.75061686      -0.64192035      -0.68628013       0.89941100 
Hf       8.37787502       5.49371282      10.37201578      -0.43938464      -0.76972974       2.00272765 
Hf       9.38755463       6.20722011       6.95124453       2.90913785       1.00386867      -0.84145829 
Hf       3.74381861       1.62123980       1.02951061       1.16151789      -2.56403142       0.11437649 
Hf       9.85635006       3.29672385       5.58191501      -1.18152016      -0.96514224      -1.96259676 
Hf      10.10851948       0.63010426       2.80754885      -1.44527456      -0.24812344       1.39070454 
Hf       5.80402512       6.92028750       9.20371038      -3.59478603       0.65766201      -1.07930861 
Hf       6.92617209       2.14348208       3.62895004      -1.68879302      -0.72316649       1.50793407 
Hf       4.18282700       4.66679030       4.16757914      -0.05813242      -0.05333084      -0.97381853 
Hf       5.93755436      10.74070828       6.78662874      -0.78070149       0.64716755      -0.03932194 
Hf       1.63767687       7.69013693       7.89366214       0.40369438       0.00966389      -0.70998711 
Hf       0.84585330       6.05802557       4.39515205       0.38197548      -0.34554857       1.22679406 
Hf       3.89486318      10.20776260       9.38045783      -0.73491778      -2.89385581      -1.42614819 
Hf       1.32960848       9.47866025       4.87932183       1.44177614       1.09641393       2.66528207 
Hf       5.50053615       4.55548153       0.99194835       0.06933551       0.38137354      -1.29505119 
Hf       8.76107455       0.88487932       8.26727105      -0.27830761       1.06500930      -0.20471962 
Hf       9.26600799       8.47020632       9.68928172      -0.40829341       1.19689647       3.19406512 
Hf       7.52728107       5.55265537       4.37211474       0.53044150      -0.76396417       2.04592812 
Hf       8.54715253       9.42761298       5.21117815       1.06680549       0.78753226      -1.14101128 
Hf       6.23610183       3.97439494       7.18082870       0.42870174      -0.54152346       0.56973909 
Hf       3.10343120       1.98892396       6.79595316      -2.19773154       2.62314217      -0.42888395 
O       9.40200304       9.00510712       2.73708487       0.13049465       0.28738553       0.29052757 
O       4.12605322       0.71928461       7.75389298       0.92993740      -0.80595522       0.44939256 
O       2.70998435       6.14017078       8.36796620      -1.00347987      -0.30273318       0.18291133 
O       5.61759314       0.97107515       4.72111065      -0.09432698      -0.16383915       0.59144728 
O       4.28753130       8.28704982      10.07445917      -0.00627132       0.02658204       1.12194663 
O       1.91719163       6.91576268       1.05838245      -2.61431793       0.76816401       0.86050578 
O       5.40072427       9.47406725       8.24658772       1.18455005       0.49831292      -1.14382291 
O       7.88251276      10.30987635       6.89899524       0.97243002       1.33195630       1.89131529 
O       6.16258526       9.45292796       5.32426638      -1.35584925      -1.61263188      -0.89458538 
O       4.24116845       3.20966320      10.83940021       0.56294036       1.29488392      -1.04615785 
O       3.48302934       8.80817770       4.23847097       0.33205639       0.21645662      -0.34222375 
O       8.01044381       4.91442274       6.45993007      -1.91475172      -0.34656916       0.85606956 
O       4.97702410       8.50824832       2.04325180       1.15531848       0.52320096       0.80113131 
O       4.23499009       3.73038560       7.43765593      -0.20943082      -1.32223719       0.30015325 
O       1.95905702       4.67758641       3.27787601      -0.00418384      -0.11642593       1.64325023 
O       6.77436453      10.17078485       2.67027090      -0.36641346      -0.91709939      -1.55959091 
O       7.81073494       7.14325580       9.07089972      -0.19200451      -0.24300865      -0.37118949 
O       7.89245523       1.24134267      10.11281904       0.32391258       0.30091956       0.62755297 
O       2.39661631       0.54781010       5.29922651       0.30000452      -0.51285716       1.84661064 
O       6.28372555       6.48253258       0.63854465       1.41844778       0.76560243      -0.95286802 
O      10.80157306       4.42339575       6.84551778       1.07093773       1.58318029       1.23563261 
O       7.54988716       3.94278382       0.44567008      -0.84408858      -0.53725893       0.32157453 
O       9.66505412       2.12030722       7.10841752      -0.52897368      -0.75991810       0.36645070 
O       4.16994702       5.77937249      10.51815795       0.23765777      -0.58100886       0.00173471 
O      10.18489758       0.44789097       0.74352318      -0.46083516       1.22652528       1.31158686 
O       8.24986167       7.46868754       5.58351122       0.79304268      -0.62521790       0.27725112 
O       0.23734321       2.08778753       4.65563061       0.48478851      -0.02075760      -0.77185041 
O       8.57220575       0.70701117       4.23480401       0.61622044      -1.13827355       0.32538368 
O       0.99574211      10.58888335       3.25854745      -0.91831215       1.36182533      -0.39420560 
O      10.35342784       2.09331863       9.41236837      -1.24750169      -2.75083878       2.63092616 
O      10.04431702       4.29185865       0.44335757      -0.63045294       0.06867302      -1.34705559 
O       1.89694060       9.45773450       8.97699446       0.47694952       0.98927448       0.23723374 
O       2.47704296       2.68656012       1.98266950      -0.63587978       1.50617495      -0.59642933 
O       2.86469631       6.03998740       5.15473570       2.10200612       0.65437449       0.07158860 
O       0.90184499       7.96858993       3.73583386      -0.31181355      -1.42024708      -1.49076140 
O       5.65910570       6.35374898       4.56024433      -1.09076413      -0.34791459      -0.11781560 
O       5.21324119       6.70661594       7.32323139       0.27298246       0.57411690      -0.33712469 
O       5.62464359       3.80231996       2.81081542       1.11820099       0.41868455       0.82346756 
O      10.83451062       2.63125965       2.19404353      -0.90656578      -1.19960743      -0.78279275 
O       9.81217238       5.27507403       4.81015921       0.40945275       1.70046272       0.18875611 
O       3.14795368       2.96446704       5.04555869       0.41101643       0.76392201      -1.43467877 
O       9.37111343       5.00276964       8.79270738      -0.47958670       0.60174496      -0.72011181 
O       0.53093725       7.04651009       6.26912396      -0.09883650      -0.59286898      -0.73624265 
O       2.89539799       8.70991166       6.59464635      -1.43942795      -1.15220698       0.39746253 
O       6.07524007       4.86806096       9.08084056       1.14601254       0.57613642       0.28585056 
O       6.90286304       2.18299805       7.62853977       0.15833163      -1.61929498      -0.45852584 
O       5.05449945       0.33991076      10.55487254       1.22248932       0.91016798       1.94746361 
O       5.82910798       3.82539961       5.17881284      -0.37217651       0.69232097       0.79561342 
O      10.00464244      10.17538382       8.90431882      -1.36380417       1.82965439      -0.47289200 
O       8.18157320       3.51820776       4.40708179      -0.29639420      -0.39350825      -1.55381500 
O       4.16199690       5.58907066       2.25797665       0.16777997       0.64490938      -0.29634501 
O       2.42696071       0.47025713       0.01137703       0.53782777       0.05181470      -0.92443020 
O       7.65196324       9.30804610       0.07201405      -0.78310312      -0.09369278       1.06076279 
O      10.42487574       9.68829857       5.94457745      -0.15384119      -0.25255623      -1.99173030 
O       1.47823968       4.32691819      10.15494846       0.79507777       0.32973296       2.19823886 
O       7.75905279       6.62204444       2.79040557       0.53001024      -0.68423066       0.60366623 
O       3.49761454       0.47911951       2.72531559       0.24605266      -0.38864017       0.74364245 
O       5.65460976       1.68236796       1.94271928       0.09719435      -1.15409417      -1.27920858 
O       9.26613023       6.99971385       0.48839692       0.40437138       0.90554628      -0.42644053 
O      10.31688934       7.63299501       8.35682985       1.01023030      -1.78132777      -0.74870286 
O      10.77876884       5.84529221       2.54633130      -0.17218742      -0.35632894      -0.80553952 
O       8.17527662       1.73162762       2.06069276       0.59847468      -0.69450348      -1.95786933 
O       0.23239249       8.92161279       0.05922309      -1.24589317      -1.36408209       1.07936674 
O       1.92777843       3.02257029       8.19954265       1.16855546      -2.03175978      -1.63987263 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.012638507176499178 -0.007740280421647755 0.003053961496178137 -0.007740280421647755 0.01532788080988081 -0.0010002428378962402 0.003053961496178137 -0.0010002428378962402 0.013477111580381389" pbc="T T T" energy=-942.72529456 free_energy=-942.72529574 config_type=amorph 
Hf       9.19372524       2.44658109       0.48384409      -4.02188832       2.06252735      -0.90536358 
Hf       3.42148006       7.26190695       1.13513107       2.57912428       2.20365490      -0.70150204 
Hf       6.96483344       7.99407209       1.99910234       0.37787563      -1.90573898      -1.49525353 
Hf       6.99906018       0.25640090       0.77700757      -0.58973542      -1.08530063      -0.03405481 
Hf       3.56885464       4.43437294       9.11581466       0.61384925       1.08873393      -0.84455173 
Hf       0.46509450       3.65124488       8.55502252      -0.29039083       1.57224303       0.61593856 
Hf       0.58191743       0.20258016      10.30787194       0.20831160      -0.93451608      -0.30551619 
Hf       4.12405033       7.34087005       6.04158643      -0.14464333       1.61887536      -1.67941831 
Hf       4.77787249       9.90973145       3.53319128      -0.23998059       0.31167135       0.00558642 
Hf       1.28218343       4.35436948       1.29532050      -1.72800851      -1.49663590      -1.49527558 
Hf       0.25429140       8.16953805       2.03740326      -1.67392914       1.16801985      -1.66116247 
Hf       1.91146120       1.50421744       3.49178218       0.97852912      -1.00689929       0.66121230 
Hf       8.55426779       5.63098892      10.75283614       0.79379712       0.01277447      -0.71070292 
Hf       9.52790026       6.11523241       7.00782594      -1.35959833       0.71938624       2.44446333 
Hf       3.91509933       1.60006815       0.95200019       1.06490670      -0.63940283      -1.13417647 
Hf       9.78331171       3.31592951       5.18303661      -1.25883231       0.44254708      -0.99811692 
Hf       9.89499633       0.46856517       3.03296928      -2.24755921       1.36359980       1.56397383 
Hf       5.56846050       7.01438383       9.12131797       1.81382744      -0.08704137       0.65203520 
Hf       6.49811483       2.12677338       3.75773788       0.62613428      -2.64406826       0.91105180 
Hf       4.16877507       4.48931439       4.05676987       1.52229594       0.32180133       1.43323006 
Hf       5.98628065      10.52569129       6.72922725      -1.87762179       0.17404434      -0.73014009 
Hf       1.49466221       7.47262938       7.97641834       0.85623988       0.82311446       1.14110853 
Hf       0.82222269       5.89054642       4.72722713       0.36323037       2.11703317       1.51563265 
Hf       3.89167108      10.13414615       9.22167983      -0.75255152      -0.60312174       1.20873286 
Hf       1.24995480       9.54959084       5.14609133       0.87539862      -0.83581602       0.60295368 
Hf       5.55810169       4.74925935       0.89620631       1.75918981      -0.04635116       0.27985168 
Hf       8.74142160       1.01600399       7.99234224      -1.58608043       0.47408841       1.24803829 
Hf       9.37681823       8.75842766       9.67946691      -5.50206644      -6.04084015       1.27915468 
Hf       7.53122866       5.97611247       4.55526484      -0.18480870      -0.46615753       0.34609290 
Hf       8.36636369       9.29316485       5.07051671      -0.34968349       1.23891694       0.74944071 
Hf       6.14028336       3.69003032       7.06655788       2.42048774       0.25743352       1.75085678 
Hf       3.21285237       1.93614097       6.50476413      -1.31809957      -0.68501138      -0.87576792 
O       9.56478670       9.50657293       2.76490050      -0.65091274      -2.72128584      -0.02431095 
O       4.23124171       0.37497030       7.35134394      -1.88246352       0.74065212       2.36156766 
O       1.85912984       5.54380570       8.42400218      -0.97924472      -0.86576500       0.63859993 
O       5.30174518       0.53891527       4.83943187       0.89240985       0.60984934       0.29272673 
O       4.27074433       8.38542084      10.35594663      -0.21803762       0.67767732      -0.83169734 
O       2.05543557       8.69278379       1.38133297      -0.49483250      -0.35469102       0.21762062 
O       5.29733696       8.90569367       8.07856087      -0.52891672       0.81863732       0.37422527 
O       7.88723930      10.36226199       6.93168831       1.76617267      -0.18761906       0.33720019 
O       5.96531668       9.02099259       5.57096572      -0.73388922      -1.31651267      -1.45523586 
O       4.59198551       3.31347239      10.50870586      -0.70642937      -1.01351291       2.96709324 
O       3.39391207       8.89336291       4.46202160       0.47161109      -0.75211362      -0.33996285 
O       7.72113141       4.83075883       6.56005917       1.38881471       0.38517355      -0.64984693 
O       4.94305053       7.88876494       2.33335216       0.69885629       1.78437815      -0.08677907 
O       4.16605403       3.48576439       7.34084226      -2.19053434       0.08353366       1.76114058 
O       0.78929426       4.83041588       3.13006164       0.54986680      -0.45166392       0.09122192 
O       6.70700753       9.81586506       2.65023201      -0.81203324       1.24393448       0.12115297 
O       7.82290438       7.24869454       8.82028710      -0.18953755      -0.36780987       1.43672428 
O       8.06902854       1.09619527      10.15982112       0.05238276       0.08917419      -1.20645742 
O       2.14267991       0.57797624       5.34157772      -0.46398358       0.13110081       0.60880807 
O       6.72665233       6.48139321       0.18799160      -1.53841146       0.79362743      -0.10682796 
O       0.28053102       4.59621243       6.43201130      -1.25399499      -0.54214131      -0.55342621 
O       7.35281954       4.01227159       0.41183720       2.36558040      -0.37714904      -0.54965649 
O       9.57381225       2.48494346       6.95218578       0.39790987      -0.74049424       0.49621086 
O       4.25377485       5.93042922      10.42403393      -0.54029380      -0.27552416       1.06833069 
O      10.48440606       1.36155864       1.33217861       3.93069330      -3.07578264      -0.04759502 
O       8.28734468       7.36685128       6.08880238       0.86677295       0.16119626      -0.21520877 
O       0.04758376       2.30341769       3.74161531      -0.77542363      -0.16636687       1.74519863 
O       8.38427213       0.58008911       4.49833212       0.22114116      -0.24400391      -0.87501710 
O       0.96067204      10.45051000       3.37450024      -1.21463915       1.83168623      -0.90518249 
O      10.38073865       1.99479692       9.86216821       2.59268016      -1.05015661      -4.73886127 
O      10.18895417       4.08494202       0.73269982       0.91108659       2.52764999       0.21783322 
O       1.72374764       9.72534178       9.08253546       0.95542920      -0.35852521       0.10538348 
O       5.60166751       3.48997687       2.74781801      -2.26679862       1.97329798      -1.15630252 
O       2.78712781       5.94170453       5.17467027       0.72303249      -0.40646117      -0.89540179 
O       0.56079269       7.95502838       3.99195684       0.67530505      -2.81582587      -0.91659114 
O       5.30469551       5.78500032       5.46925397       1.52621200      -0.22469045      -2.33346792 
O       4.02974187       6.35453248       7.76781735       0.65516128       1.84972313       0.50225046 
O       7.13512906       5.80509935       2.56240958      -0.14458070       0.65301654       1.27919886 
O       2.45758097       2.79686239       1.80445720       0.45349895      -0.63217253       1.00344929 
O       9.63123242       5.47943257       4.77431920      -1.45731547      -0.12337719       0.01562395 
O       3.14573877       2.73497113       4.56458503      -1.13801248       1.44356786      -0.31411556 
O       9.73822307       5.01556093       8.99538688      -0.71374875      -0.30906738      -0.35363872 
O       0.47005542       7.18419243       6.39053956      -1.27631247      -1.23282136      -1.06975995 
O       2.47867467       8.65695975       6.57373080       0.29984205      -1.20507122       2.25765946 
O       5.80894598       4.76396050       8.80402275       0.00911883       1.36908727      -0.73745558 
O       6.88982650       1.81833489       7.66597501      -0.20548903       0.34546498      -0.74970896 
O       5.19160923       0.51818646      10.45103935      -0.98625822      -1.52120324      -0.15471920 
O       5.36791667       3.15577569       5.30826519       1.20607843      -0.21473078      -1.62372140 
O       9.77480282      10.20201589       8.71908452       1.85909598       5.49470198      -2.02073447 
O       7.94301994       3.32440117       4.22543247       2.41158393       1.35385952       1.28183352 
O       4.21327226       5.55681173       2.31584323      -1.06711838      -0.93285519       0.10508633 
O       2.48320025       0.81419973      10.48326799       0.90449207      -0.35327877       0.97216296 
O       7.74945609       9.26720403       0.43945242      -0.59521870      -0.47861944      -1.06531542 
O      10.16693128       9.63382525       5.66541390       1.71897452       0.44280956       0.02922091 
O       1.88406930       3.50380256      10.02462227      -0.26990620       1.41571120       0.36085932 
O       7.46898479       7.92268076       3.94527785       0.66875812      -2.04877229      -1.23500453 
O       3.26552060       0.25884760       2.66783137       1.59593145       1.14373256      -1.62780912 
O       5.72983773       1.09207854       2.08062266      -2.67241853       0.64850904      -0.35189888 
O       9.58542834       6.97834288       1.05961117       0.00363250      -0.49399017      -0.44338982 
O      10.49013561       7.54170820       8.59567786       0.05989380      -0.47956001       0.51662770 
O       1.88213578       6.13255102       1.11245332      -2.03263649      -0.07068110      -0.58275280 
O       8.14355965       1.67430016       1.92438397      -1.02210750      -1.97827436       1.76960615 
O      10.34265942       9.35304128       0.29867265       4.16387660       2.47870948       1.63365382 
O       1.50588649       2.47291406       7.47152659       2.28383171      -1.56387458      -1.11062275 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.010665149739526147 -0.00010279625096374395 0.0025108465994163136 -0.00010279625096374395 0.02236965292384823 0.0054382442402944355 0.0025108465994163136 0.0054382442402944355 0.03992120315553165" pbc="T T T" energy=-950.60427733 free_energy=-950.60428194 config_type=amorph 
Hf       9.40701803       2.53834319       0.34980384       1.28895963       0.12187240      -0.37872179 
Hf       3.75084289       7.09337418       1.12694657       0.93151433       0.00096794       2.01861307 
Hf       7.43250567       7.83165624       1.74952564      -3.44682847       2.85737600      -0.99749058 
Hf       6.96432352       0.45337755       0.68858445      -2.03767080      -1.55076699       0.65183930 
Hf       3.32912629       4.24271537       9.38683225       0.07111289       0.14995235       0.43674142 
Hf       0.30291792       3.99368930       8.74530698       0.44668890       0.58909388       0.32583384 
Hf       0.60168578      10.62713878      10.09184867      -0.15419185      -1.70120116       1.03723932 
Hf       3.98975517       7.36485273       5.79601355       0.45533851       1.47490432      -0.28406837 
Hf       5.11182767       9.79947347       3.54089267      -0.51336110      -0.98385538       1.27865018 
Hf       1.00595545       4.32150303       1.63032234       1.21790438       0.09091439      -0.32626008 
Hf       0.11739213       8.03904555       2.04879278       1.02885194      -0.17786348      -1.32914705 
Hf       1.82814318       2.13002790       4.03377175      -0.05198559       0.02866665      -0.24576840 
Hf       8.33016586       5.62082139      10.18884636       2.10741730      -0.16241525       0.14196721 
Hf       9.18639741       6.48931889       6.89916678       0.76095247       1.73365575      -0.18042977 
Hf       3.79598799       1.30986640       1.05308628      -0.27084677       0.74059054       0.49278164 
Hf       9.76911268       3.44958046       5.36063238       0.45758621       0.00980626      -1.15901354 
Hf       9.93510006       0.71637424       2.84994392       3.25509172      -1.30421217       1.40263940 
Hf       5.67822593       7.12992376       9.07122650      -1.39278637       0.15164858       0.48790096 
Hf       7.04811260       1.86854513       3.57889939      -1.78386823       1.16795626       2.64361655 
Hf       4.01241316       4.50565756       3.80175337      -0.68228482       1.57981542      -0.37993291 
Hf       5.85813399      10.59481396       6.83681716      -0.18929021      -0.64816287      -1.58931871 
Hf       1.38748592       7.54637632       8.09744279      -0.65642426      -0.95720074      -0.41467864 
Hf       0.79845887       6.11465127       4.59048614       0.02763841      -0.72293955      -0.13073712 
Hf       3.86989919       9.89963275       9.45978082      -0.66965873       0.83006255      -0.10888379 
Hf       1.56722147       9.82478063       4.88334119       0.56485593      -0.96651532       1.48004064 
Hf       5.93891184       4.20072220       0.56920919      -2.15604267       1.39082667       1.99205244 
Hf       8.54304014       1.23573351       8.09873351      -0.37347891      -2.60387863      -0.61948404 
Hf       9.00247424       8.77891394       9.76646470       2.67926121      -0.26024387      -0.71545897 
Hf       7.18181793       5.31225024       4.34661619      -0.50203216      -1.78167728      -0.83818306 
Hf       8.98173544       9.69952480       5.17051651      -0.28784572      -1.31398868       1.64266519 
Hf       6.57241718       3.62286103       7.24419696      -1.84989895      -0.76847396      -2.17871892 
Hf       3.09626817       2.07343922       7.00415616       1.74665057      -0.00137118      -1.65460323 
O       9.63686405       9.37168046       3.20370176       0.02241838       0.60069338      -1.50745950 
O       3.78914740       0.27633297       7.63789676       1.04497181       0.16573623       0.76711594 
O       1.69165026       5.59041511       8.74050130       0.72442645      -0.03561675       0.48135497 
O       5.70701320       0.62065847       4.80917030       0.22786382      -0.63253649      -0.15948648 
O       4.44288010       8.18454220      10.39373795       0.23534496      -0.24903424      -1.09587416 
O       2.05140992       7.90633792       1.27922204      -1.40135827       0.73964886       0.75828098 
O       5.47731178       9.15558673       8.37583109       0.67332314      -0.32637994      -0.64180631 
O       7.87954528      10.45348681       6.92587440      -0.10246965       0.82790484       0.36213752 
O       5.63170327       8.85916949       5.47041789      -0.32529714       0.52344677       0.56504239 
O       4.56922927       3.00708945      10.63831508      -0.31388594      -0.21628477      -0.34870975 
O       3.39339683       8.93094286       4.39980661      -0.71404700      -0.14585277      -0.20642361 
O       7.41543111       5.40335596       6.39093072       0.08906650      -0.59246468       0.56456641 
O       5.25767899       7.95881692       2.22686818      -0.13246179       0.00935727       0.37195456 
O       4.51291623       3.45701826       7.65697335      -0.27802183       0.42296602       1.08894672 
O       1.16858104       4.06412234       4.08203317      -0.62096198       0.82335098      -1.14500741 
O       6.81021061      10.01707298       2.44264262       0.34875244      -0.03358343      -0.08700054 
O       7.87720085       7.27212702       8.82119817      -1.26740598      -0.12832880       1.01316886 
O       7.84712677       1.25938214       9.97092073       0.56728273       1.41341098       1.07887579 
O       2.18725537       0.84893575       5.56572122       0.30834954       0.65712193       0.62082863 
O       6.54778887       6.40042580       0.39428757       1.87681004       0.04619599      -0.86073515 
O       0.24112492       3.51779923       6.78378796      -0.34810903       0.63606830      -0.10732035 
O       7.88638772       3.88868689       0.60283048       0.06820750       0.05179797      -1.27162404 
O       8.45847558       2.64288899       6.61470782      -0.73695168       0.07005607       1.62667190 
O       4.31207548       5.60445119      10.65685960      -0.00165632      -0.89552807      -1.70189920 
O      10.33296555       0.55422849       0.72697320       0.11991662       0.67406392      -0.51842679 
O       8.39540120       8.02328124       5.99673511       0.28264648      -0.96579664      -0.31812344 
O      10.58220093       1.98540443       4.36697795       0.53826506      -0.68596635      -0.34735523 
O       8.44915475       0.56987023       4.38466774      -0.76160424       1.99082437      -1.45641248 
O       1.13754140       0.17697662       3.32958541      -0.37809289       0.26765582      -0.90054777 
O      10.07406617       2.27878406       9.08321029      -0.15540478       0.31132334       1.95277770 
O      10.29000117       4.64214527       0.12298468      -0.84247051      -1.25369267      -1.15423235 
O       1.93268431       9.11897614       9.26988436       0.36260778       0.60972090      -0.04106736 
O       2.92978780       2.85191891       2.42881107      -0.37671887      -1.21657944      -0.13432283 
O       2.68520720       5.95812250       5.20599326       0.24880525      -0.00339802      -0.92063690 
O       0.75518009       8.05651670       4.08116053       0.18720499       0.17436555      -1.05972887 
O       5.13020923       5.93314972       4.77283536       1.25854208       0.14257539      -0.30359651 
O       4.26779986       6.55607977       7.73684220       1.31524518       0.76410432       0.55777350 
O       5.75520449       4.54584760       2.63928446      -0.21877637      -0.45122060      -0.69146713 
O      10.68674467       2.69375647       1.91704811       0.31307220       0.23470030      -0.15832810 
O       9.59848692       5.46358478       4.98509516      -0.12439734       0.02350528       0.57392841 
O       3.57314931       3.13956595       5.15317337      -2.25626643      -1.84904648       0.30568246 
O       9.51070389       5.12906182       8.43610030      -1.35254344       0.04888416       1.08536388 
O       0.37918767       6.72889146       6.42542594      -0.64042276      -0.53423343       0.36055446 
O       2.33196797       8.52010086       6.67064892       0.74771925      -0.18057218      -0.80417787 
O       6.68642072       4.87383622       9.13259979      -0.12625463      -0.36930678       0.31680899 
O       6.31548008       1.50477274       7.84230568       1.90106356       0.91271799      -0.49836652 
O       5.05126480       0.10373993      10.81741803       0.63649681      -0.02345619      -0.59243840 
O       6.19680376       3.31648199       5.23890280       0.78222642       0.73613287      -0.13951348 
O       9.89122776      10.44619785       8.80824142      -0.50035267       0.47482125       0.76563473 
O       8.24808720       3.60150157       3.58238341      -0.74212714      -0.44858255       1.74496782 
O       3.01355712       5.45035609       2.17044625      -0.28144468      -0.42325996       0.87050466 
O       2.52087682       0.36674074      10.51923544       0.17782800       1.13261858       0.55273435 
O       7.69208510       9.58137903       0.11319093      -0.75151289      -0.84129347      -0.43386905 
O      10.61538894      10.19835393       5.96638202       1.51841885      -0.51353384      -0.83203773 
O       1.85756110       3.65649849      10.71174491       0.00032405       0.83797093       0.00468674 
O       7.95471126       6.50040270       2.89162378       0.03349952      -0.91512924       2.36647573 
O       3.79973409      10.82236289       2.46521061       0.09771205       0.76752494      -0.20270336 
O       5.81234424       1.84346357       1.83927280       0.28537354       0.33218507       0.15258538 
O       9.08711359       7.53853760       0.65668824      -0.47554622      -2.49336614      -1.02419134 
O      10.32012237       7.79920635       8.42692233      -0.64076991      -0.19943400       0.45340593 
O       0.24444946       6.08536612       2.28457897      -0.18059821      -0.02483200       1.09204739 
O       8.34040928       1.43081203       1.98967554      -1.39201255       1.06406491      -2.26769980 
O      10.78627232       8.92476439       0.16638179       0.27584496       2.19025767      -1.19703685 
O       2.01378894       2.93056012       8.36002944       1.20629227      -1.08063385       0.11354321 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.01999853135667476 -0.02032723934876681 0.004683929457323411 -0.02032723934876681 0.006410701102898031 0.009092319898368098 0.004683929457323411 0.009092319898368098 -0.003968256288014861" pbc="T T T" energy=-942.68616277 free_energy=-942.68617123 config_type=amorph 
Hf       9.23401581       2.57288629       0.40003655       1.26711409      -1.20510364      -0.20071668 
Hf       3.81242821       6.97275945       0.92724736      -1.10197609       1.86545540       1.04778268 
Hf       7.01220887       8.05283291       1.63305760      -1.06305262       1.11402716      -1.80026180 
Hf       6.98112710       0.44508156       0.85543806      -5.07020329      -5.43207652      -2.69045435 
Hf       3.50385576       4.11619977       9.16467687      -1.92640464       1.50813304       2.31922719 
Hf       0.25271137       4.21714929       8.71423553       2.03892918       0.34290138       0.34578621 
Hf       0.66099756      10.39738764      10.28500746       1.95117713       1.50059473       0.53359591 
Hf       4.26948987       7.43740624       5.61957519      -3.09756771      -0.67446898       0.91543064 
Hf       4.94316539       9.76681384       3.75787521       1.36832565       2.44347821      -2.99860142 
Hf       0.89334099       4.05463432       1.38768209       1.30602489       1.73563113       2.55114600 
Hf       0.17598446       7.74726311       2.02828869      -0.95989186       0.76986055       0.30131706 
Hf       1.72805305       2.04530463       3.86059333       1.01468527      -1.13634337       0.01340139 
Hf       8.31618461       5.43379677      10.38470948      -2.46895937       1.92975958      -0.29990621 
Hf       9.45153465       6.63030505       7.02153362      -1.44938405      -1.76714793      -2.27797264 
Hf       3.86513509       1.51917327       1.29753335      -0.81845210      -3.47619905      -2.05091213 
Hf       9.75611001       3.53393917       5.42685695      -1.29911240      -2.65696974      -1.48525889 
Hf       9.94019082       0.77357370       2.88146787       0.68516510      -1.47500480       1.52437148 
Hf       5.70318981       7.22304323       9.05210388      -0.37425241      -0.57450517       3.37110331 
Hf       6.96926305       1.77756426       3.74229568       1.20082578       1.89896548       1.71932813 
Hf       4.27715599       4.68847165       3.97251027       0.14528621      -1.07271477       1.00268190 
Hf       5.84585718      10.65861746       6.94106843       1.05179571       0.41246435      -0.77845645 
Hf       1.48973994       7.60505551       7.78030326       0.79219531      -0.99682321       0.82310190 
Hf       0.68785121       5.88187218       4.55883940       1.13412083       1.35229413      -0.73898976 
Hf       3.87214537      10.08895143       9.46191985      -0.12878931      -0.22682227       3.00810690 
Hf       1.46984717       9.65355668       4.79080199      -0.34141591       2.04304044       0.21914541 
Hf       5.48016462       4.22979966       0.85200387       3.19200823       1.26194428       0.99432792 
Hf       8.59784881       1.24583199       8.32530905      -1.14059248      -0.70698285      -1.84336844 
Hf       9.13106253       8.60906636       9.80443483      -1.10121827       0.28755146       0.73299405 
Hf       7.34376479       5.43126148       4.35249654       3.56821953      -0.02299271      -3.38326187 
Hf       8.92560511       9.37988895       5.06087409      -0.30511982       2.58460819      -0.60853816 
Hf       6.38975389       3.82686500       7.03501700       3.30985289      -1.23000007       2.79360175 
Hf       3.24320719       2.15331447       6.84150635       0.02254277      -2.82999231      -2.65102275 
O       9.64139104       9.64572849       3.10212680      -0.16651698      -1.83484269       0.47674214 
O       4.08739969       0.53930393       7.82882186      -0.98584771       0.43060193      -0.23027856 
O       1.86377550       5.66939601       8.27886152       0.32692512      -0.03657827       1.00960183 
O       5.96712155       0.55362738       4.97107482      -2.24641284      -0.81997540       0.32161817 
O       4.45589297       8.27956403      10.52688950       0.49830664       1.14795354      -2.35397164 
O       1.98550377       7.42062773       1.54452896       1.97663225       0.40754658      -1.40123367 
O       5.53882187       9.39171403       8.54380280       0.03503705      -0.54094508      -0.87425204 
O       7.73754297      10.45141900       6.95236762       2.57418902      -0.08512171       0.78015920 
O       5.54825388       8.84089563       5.51670963       1.07608094       2.52393323       0.06748467 
O       4.35251988       2.92126805      10.56908623       0.76032707       1.02225983       0.02350510 
O       3.22659609       9.07842242       4.18336906       1.43827984      -1.86495809      -0.17103331 
O       7.72405742       5.22543722       6.24923119       0.57361149      -0.72164621       3.06690572 
O       5.01387614       8.06381054       2.28787681       0.01172692       0.10438602       0.34798826 
O       4.46422338       3.78299955       7.45346312      -1.08634710      -0.60743256      -1.00289270 
O       1.27930889       4.04376536       3.56059274       0.45803087      -0.38174381       1.53530044 
O       6.82351866      10.04077611       2.63607466      -1.56540244      -0.14321599       0.04519478 
O       7.59986703       7.52982797       9.03036488       2.75426091      -0.07244164      -1.41679364 
O       7.92479276       1.33788200      10.28117039       0.90398879       0.47650546      -2.70504704 
O       2.03170345       0.99441481       5.54799930       0.58741962      -1.17174745       1.80608828 
O       6.41849589       6.42230387       0.30055199       0.00497169      -0.69983889       1.04495046 
O       0.12948851       4.83774305       6.70884866      -1.31409881      -1.72895062      -0.61689716 
O       7.66123621       3.72568001       0.51151218      -1.02564243       1.77406752      -0.61844513 
O       8.75592689       2.61795181       6.83800235       0.33518505       0.11242090       1.43160549 
O       4.33429617       5.61322248      10.15015429      -0.19489223       0.75491374       0.80291454 
O      10.51219129       0.43214511       0.79039813      -1.36809290       1.71329621       0.43655346 
O       8.30493915       7.56493864       5.63758752       0.64100208       1.32888172       0.52649834 
O      10.59131507       1.88619628       4.54571417       2.05176061       2.01090869       0.19520872 
O       8.56168225       0.78185472       4.53447328      -1.22710085      -2.11640413      -1.28938959 
O       1.08973552       0.10962440       3.20988945      -0.35980376       0.45021888       0.49745755 
O      10.07566726       2.49786861       9.26045822      -0.31920722      -0.48703850       0.20443044 
O      10.21661433       4.52334464       0.08132338      -0.65231362      -0.97320543      -0.10555116 
O       2.03374412       8.84430398       9.33302909       0.84633009       1.70137053      -1.11676364 
O       2.32489407       2.58672805       1.76271992      -0.79951977       0.67516669       1.37151413 
O       2.83202843       5.84522154       4.94650492       1.52584134       0.03007098      -0.61639201 
O       0.82882705       7.94834607       3.96506867      -0.66937811      -1.03985373      -1.97851770 
O       5.52622947       6.18026973       4.61157136      -2.16251812      -0.05167526       0.65582137 
O       4.77614264       6.95491431       7.44313069      -1.18854053      -0.90006593      -1.73887032 
O       6.45756382       4.53859001       2.78128329      -2.69662495       0.12957403      -1.36957605 
O      10.47085135       2.63059665       2.01124377      -0.16044983       0.69854063      -0.99741882 
O       9.60037364       5.35990641       4.54953941       0.66116453       0.93997077       0.39432386 
O       3.46952924       2.82353224       4.93524665       0.45798937       2.58061758      -1.66877200 
O       9.45777478       5.29392122       8.75302738      -0.52184474       0.66111189      -1.07482022 
O       0.23005490       7.34067018       6.11855066       0.27906865      -2.79995755       0.25440469 
O       2.56325919       8.47908650       6.39952309       0.53386501       0.35131202       0.27974990 
O       6.57232436       4.97106972       8.92091907       0.81187511      -0.03898007      -0.05643766 
O       6.52986144       1.81847602       7.75313608       0.36715338      -0.31174343       0.06889413 
O       5.13871410       0.24250585       0.11768254      -1.38394617      -0.27220958      -0.87139596 
O       6.24394762       3.55097085       5.12018034      -2.84566708      -0.12275099      -0.94782741 
O       9.90155585      10.39268586       9.07234199      -0.80792545       0.98237335      -0.89238093 
O       8.29588722       3.29536593       4.04454148       0.67743052       0.59054578       0.29496326 
O       4.06216233       5.37454003       2.05850760       0.23287740      -2.97309371       0.63731425 
O       2.53603361       0.30104346      10.81303706       0.29081295      -0.29659145      -1.28309816 
O       7.57208343       9.53840650       0.16883956       1.44238933      -0.89710924      -0.76878451 
O      10.64692103       9.68593991       5.83638804      -1.39286095       0.88495252       0.52488876 
O       2.06205339       4.27643925      10.63699723      -1.81162801      -0.04028493      -1.14802171 
O       7.90662605       7.10432283       2.89189085       0.78549483      -1.73309912       2.76573438 
O       3.70194486       0.44417016       2.90834844       1.51082886      -0.40972313       0.91554338 
O       5.62541743       2.26534519       1.97006797       0.34509954       0.31907301      -0.08811327 
O       8.88662111       7.24934570       0.41433351       0.98435695      -1.42755462       0.48298512 
O      10.44965962       7.71620707       8.34551242      -1.99806258       1.22134636       2.52610790 
O       0.32090898       5.83802692       2.48263735      -0.98603487       0.18363565      -1.21620279 
O       8.08067775       1.36359139       1.97196816       4.23491573       3.59102761       2.95338637 
O       0.01327071       8.80614756       0.23383704      -0.89727215      -1.41678205       0.30529035 
O       2.06315824       2.74497267       8.18436719      -1.40611047       1.61411239       1.05304424 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0006172192049002841 -0.014538303840914465 0.0031385701018962217 -0.014538303840914465 0.017727869743735063 0.0011420319122409704 0.0031385701018962217 0.0011420319122409704 0.026462361283757913" pbc="T T T" energy=-954.40818782 free_energy=-954.40818803 config_type=amorph 
Hf       9.20781018       2.41956069       0.33133792       0.05155977       0.83238395       1.11905366 
Hf       3.91120233       7.14465226       1.11934614       0.23391298      -0.41084009      -0.55903529 
Hf       7.29983115       8.12669657       1.78147059      -0.19546960      -1.10708548       0.00785297 
Hf       6.91540659       0.31554213       0.85335016      -1.58409219       0.48486305      -0.48525763 
Hf       3.19484893       4.32680398       9.25270189      -0.38750113      -0.19380372       0.11944817 
Hf       0.19715860       3.94546197       8.97670373       0.04964836       0.71382853      -1.69369283 
Hf       0.52018859      10.85257018      10.14556921       1.08900359       0.38148782       0.26402673 
Hf       4.10886782       7.49066549       5.55452647      -0.10421387      -0.37539022       0.23578622 
Hf       4.89597126      10.01326044       3.65111363       0.54293571      -0.32789752      -0.51413869 
Hf       0.78637552       4.21550281       1.55581252      -0.78791975      -1.28896422       0.30980227 
Hf       0.14740726       7.92619909       1.76713335      -1.07395318      -0.49292366       1.39716788 
Hf       2.01167032       1.76056753       3.65220502      -0.58431695      -0.43735051       3.23002022 
Hf       8.24506088       5.54468984      10.33544080      -0.98928111      -0.06419444       1.13031154 
Hf       9.49726632       6.18387524       6.89240228      -0.01028985       0.51612280       0.69886423 
Hf       3.76827050       1.52399751       1.04044090       1.08736041      -0.04900452      -0.18517553 
Hf      10.13960060       3.39960732       5.34053736      -0.14331414      -0.92911784       0.77926841 
Hf       9.89265722       0.66560359       2.99046749       1.09144598       0.46418188      -1.10490793 
Hf       5.52635584       7.14688281       9.09658490      -0.71201847      -0.74339673      -0.68321433 
Hf       6.96263209       2.05992055       3.83883577      -0.67229464       0.21571429      -1.24791150 
Hf       4.47283725       4.58503168       4.11000752      -0.64752814       0.21003992      -1.75847473 
Hf       5.83842958      10.63248446       6.92945212      -0.25937301       0.10467971      -2.10326139 
Hf       1.43215193       7.58325897       7.87622182       1.20149027      -0.11729350       1.21215043 
Hf       0.81204496       6.03441265       4.44760761       0.63821129       0.95885819      -0.86686302 
Hf       3.74237992      10.10304180       9.40934628       0.45644957       0.98385773       0.01896742 
Hf       1.45485182       9.59208959       4.80298217       1.42737367       0.63696508       1.15748185 
Hf       5.59580594       4.37018937       0.91501789       1.20391276      -0.75019496      -1.02895191 
Hf       8.63348775       0.99235177       8.16951439       0.05917223       2.79064840      -1.62171115 
Hf       9.18477460       8.56821843       9.72941454      -0.59408070      -0.07783746       1.53377636 
Hf       7.57926535       5.33271741       4.39066642      -0.81670641       0.80679800      -0.91873582 
Hf       8.95078275       9.53764287       5.16539828      -0.35043982      -0.20665232       0.92668411 
Hf       6.28765740       3.79524194       7.33164160       0.32771833       0.52766910       0.36794853 
Hf       3.20243981       2.12303163       6.73494203      -2.74646473      -0.55515566       0.10809782 
O       9.45325571       9.27807093       3.19282867      -0.28841080       1.32892718      -1.24629837 
O       4.11884177       0.69463883       7.75755342       1.09673680      -0.84972163       0.63552045 
O       1.76693121       5.69953045       8.50637842       0.72377258      -0.07281725       0.87099025 
O       5.70655300       0.67872883       4.79941531       0.13010704       0.43741942       0.69153179 
O       4.13143570       8.31800815      10.22314726       0.45797343      -1.37707602       0.77494804 
O       2.03288126       7.52663533       1.29458629       0.52372185       0.15463053       0.16689433 
O       5.42116897       9.30916811       8.31937453      -0.02663015      -0.17155124       0.16997310 
O       7.83896246      10.49512921       6.83768980       0.26090448      -0.66762563       0.46362172 
O       5.39507831       9.02667719       5.48876384       0.85762087       1.57954545       0.30061705 
O       4.29401559       3.14958322      10.70839931      -0.06679526       0.07286373      -0.18447811 
O       3.27894232       8.97528057       4.01103397      -0.37937898      -1.51022696       0.63033664 
O       7.69264334       5.10957486       6.47186349      -0.44591425      -0.21136477      -0.02578320 
O       5.21785644       8.20738692       2.22680825      -0.73735341      -0.52271728      -0.18392092 
O       4.20950239       3.70514835       7.57914050       2.08334893       0.30582983      -0.33675435 
O       0.78937112       4.10183973       3.84595961       0.83513006      -0.07274538      -0.11280916 
O       6.69209447      10.03772004       2.55603537       0.23701741       0.44022265       0.21385627 
O       7.49722447       7.53440903       9.11181018       1.44646864      -0.18749773       0.16440337 
O       7.88240626       1.20877998      10.15313284      -0.23284277       0.05689759      -1.02624904 
O       2.35756282       0.57685793       5.73055740      -0.12658218       0.23438541      -1.61128396 
O       6.49588645       6.43778917       0.57289395      -0.97521510      -0.15453643      -0.23142449 
O      10.81801850       4.43668188       6.95162993      -0.10478416      -0.01523997      -0.46306366 
O       7.63742451       3.79403927       0.26645498      -0.90664071       0.47796635       0.68569789 
O       9.41215091       2.31490579       6.89820740      -0.83080871      -1.15728295       0.69902522 
O       4.15716940       5.77875834      10.22419663       0.55023156       1.00917640       1.17375995 
O      10.29813270       0.52023017       0.85830186      -0.14297354       0.69232707       0.11552596 
O       8.69869660       7.77849469       5.88580110      -0.63205533      -0.92076383       0.51813361 
O       0.11785852       1.73347581       4.69625892       0.19177636      -0.27815393      -1.96265192 
O       8.44577994       0.65399630       4.35629388      -0.65822647       0.46498390       0.08953802 
O       0.97637457      10.78499051       3.22817732      -0.30445984       0.12706778      -0.51411361 
O      10.33468650       2.13737060       9.47307975      -0.22249232      -1.53192362      -0.04476062 
O      10.07572969       4.34559308       0.01096721       0.17185093       0.35597560       0.53829923 
O       1.86293196       9.50951523       8.98458567      -0.28599154      -0.43066660      -0.30671188 
O       2.46839174       2.82424387       2.07552429      -0.19109124      -0.05773055      -1.28886309 
O       2.93911602       5.97908657       4.62715730      -0.41824617      -0.21876825       0.12258810 
O       0.60719202       7.99059654       3.81355825       0.96016742      -0.83522524      -0.38630631 
O       5.50793172       6.17966775       4.66904506       1.04558903      -0.33171970       0.30025804 
O       4.62606721       6.67187167       7.35530076       0.21257930       0.66008630       0.71184980 
O       6.26878828       4.16087718       2.84046827       0.39223455       0.55882190       1.35045168 
O      10.42010599       2.70232138       2.00921363       0.63238517       0.05881167       0.14239211 
O       9.73611921       5.54176351       4.89926030      -1.13799761      -0.38627488      -0.27308844 
O       3.29478664       2.98653119       4.77356751      -0.29866852      -0.34338655       0.69781129 
O       9.24049792       5.19731143       8.72101565       0.63676724      -0.11560833      -0.84067449 
O       0.57213150       6.75597917       6.32285134      -0.25038008       0.29005568      -0.90894295 
O       2.48289855       8.43257263       6.40545469       0.41905262       0.27831549      -0.30731754 
O       6.38744007       4.93221707       9.13652013       0.22233735       0.26787740      -1.12181532 
O       6.75135490       1.84815938       7.55280959      -0.65296842       0.39506448       0.46643098 
O       5.00258791      10.79715561       0.14662375      -0.13368860       0.86314281      -0.06501253 
O       5.87789126       3.48888776       5.19930010       0.73291872       0.00880428       0.96433787 
O       9.75237195      10.42574262       9.01921138       0.22081806      -1.37562915      -0.43198084 
O       8.42492096       3.46496164       4.23948256      -0.51975637      -0.65030106      -0.16133057 
O       4.07746948       5.16159790       2.03392391      -0.24673812       1.16696833       0.27187938 
O       2.56643924       0.64311323      10.48762019      -1.05901481      -0.14017676       0.25390122 
O       7.91379950       9.52396472       0.30360567      -0.26784419      -0.58470314      -0.29359815 
O      10.68205504       9.78883022       5.94046376      -0.15708108       0.10388651      -0.14786869 
O       1.62017132       3.93071654      10.49118032       0.42191025       0.44627775       0.92667923 
O       7.89776530       6.73889256       2.98553175      -0.20926261      -0.35492662       1.39954131 
O       3.48543880       0.42717703       2.91271161       0.36011160       1.70382544      -1.25406216 
O       5.63659883       2.02049393       1.80961919      -0.22931362      -0.71397653       0.30324399 
O       9.07260308       7.20753861       0.62324652       0.61193939       0.51109500      -1.36493769 
O      10.44657153       7.58076939       8.51091518      -1.76739894       0.19148057       0.04315951 
O       0.04282433       5.96902467       2.13129071       0.89436428      -0.21345759       0.73059463 
O       8.10723502       1.60065668       1.93510495       0.28720316      -0.67995431       1.39111438 
O       0.06492941       9.09968341       0.14570867      -0.43369923      -0.54528296      -0.87898983 
O       1.86933059       2.82544871       8.17538746       0.92907520      -0.07878697      -0.92101258 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0025452742269849006 -0.018964050358460955 0.008241386728890658 -0.018964050358460955 0.015504760740795352 -0.0011300213138149418 0.008241386728890658 -0.0011300213138149418 0.011256086049361484" pbc="T T T" energy=-939.79919632 free_energy=-939.7991983 config_type=amorph 
Hf       9.41899227       2.36683948       0.47413199       2.20260993       3.63172396      -1.29581322 
Hf       4.02870617       7.29166521       1.47181271      -1.81865767       1.17763595      -1.28212434 
Hf       7.51289519       7.92858152       1.78420716      -0.36375525       3.12611259      -2.83921786 
Hf       6.79707506       0.78340490       0.73677519       0.20797665      -1.90824497       0.61062222 
Hf       3.48737525       4.64904829       9.17655959       1.94689084      -0.52088878       1.01053583 
Hf       0.50974726       3.87253501       8.73001493      -1.86119649      -0.14971598       2.36267030 
Hf       0.52913195      10.80161834      10.07057747       4.41544436       1.65184061      -2.94958355 
Hf       4.14153700       7.34655205       5.76944163      -2.47611445       3.20610842       2.96775866 
Hf       4.95048507      10.06597242       3.70707025      -0.44930442       0.62748041       0.33229354 
Hf       1.53939336       4.37194929       1.54036685      -2.65186917       0.42699490       2.23609111 
Hf       0.25384391       7.94985087       1.66451576       0.75870461      -1.87798784       2.37365235 
Hf       1.80982622       1.87362819       3.77372300       2.11411801       0.21198546       0.37626000 
Hf       8.29667431       5.51476493      10.32035752       2.07598920      -0.21774452      -1.25556922 
Hf       9.21272616       6.00478119       6.90453883       0.74421502       1.47877562       2.69599815 
Hf       3.44654024       1.66945063       1.11815302      -0.19502792      -0.37445345      -0.64046337 
Hf       9.75422068       3.39279082       5.18703067      -1.58739878      -1.44287583       1.66812997 
Hf      10.01617613       0.12239724       2.73639429      -0.82969482      -0.38278975       3.43268943 
Hf       5.70592344       7.01299205       9.33054744       0.17340087       1.40360172      -0.44963950 
Hf       6.91329579       1.89575422       3.60559214      -1.90734336      -3.27966805       2.62604418 
Hf       3.80668911       4.71297848       3.85136966      -1.93814522      -0.06548997       0.34404567 
Hf       5.79445914      10.64009976       6.98164484      -0.33159535      -0.31174478      -0.24775004 
Hf       1.18276239       7.58657982       8.06551977       3.31727229       0.54649106      -1.67527344 
Hf       0.62148258       6.09534312       4.40632271       0.69715859       0.41497749      -0.77807876 
Hf       4.08338935      10.03260007       9.53367552      -2.11764716      -0.34497929       0.33705816 
Hf       1.71940118       9.39144468       4.82874476       1.34327757       1.22285659       2.82537951 
Hf       5.71672096       4.33810393       0.78839926       0.45684182       0.62634157       0.57721614 
Hf       8.56774422       1.26488871       8.11428861       1.34868617      -1.41760749      -2.39957283 
Hf       9.18566027       8.87985813       9.78646657      -3.27922763      -2.77479101      -1.41909757 
Hf       7.08511553       5.33746164       4.26778325       0.43900229      -1.11016912       2.11281554 
Hf       8.53451854       9.42608202       5.54215510       1.36058519       0.37287306       0.60993741 
Hf       6.38895801       3.55047374       7.09106764       1.56008557      -1.07591332       3.06566000 
Hf       3.35801616       2.09466276       6.75192953       2.26634970      -2.25111574      -2.91924371 
O       9.33588486       9.04327429       2.76888326       0.15177382      -0.25682111      -1.45682748 
O       4.34446500       0.79162577       8.02090696      -0.74965274      -1.69767443       0.25196198 
O       1.90701878       5.82199652       8.85100073      -1.02164343       0.33385472      -1.87290909 
O       5.65637359       0.78829623       5.22302689       0.01548166      -1.38711708      -1.95832945 
O       4.53856113       8.30712986      10.51094205       0.33331810       0.12276844       1.08800389 
O       2.18422048       8.10010087       1.28934549       0.39784169      -0.35714290      -0.28290642 
O       5.35778247       8.96976185       8.29055936       0.46259635       2.34916207       0.72455869 
O       7.77811146      10.27112022       7.31412138       0.59826186      -0.31511179      -1.13597601 
O       5.13398670       9.14912795       5.68180299       1.71180747       0.06672838      -0.42102403 
O       4.35998482       3.34037316      10.77162199      -1.85868012      -1.83200952      -1.90852426 
O       3.50949390       8.69590619       3.97876875      -1.33343141      -0.74903303       0.27165087 
O       7.82340899       4.70751729       6.43372802      -2.10309862       2.38367299      -1.47568654 
O       5.44499554       8.47933913       2.31834476       1.80968782      -0.90019441       0.14049335 
O       4.40198820       3.73938378       7.33228972      -0.96335059       0.86428977       1.76136817 
O       1.12356731       4.16667795       3.70678126      -0.45496317       0.21069777       1.23748441 
O       6.49391754      10.81099878       2.54901152       0.00498273      -0.03982346      -0.15727456 
O       7.81532045       7.14537963       8.98956211      -1.81505607       0.46255876       0.18261989 
O       8.20554882       1.63349359       9.97851628      -1.90459757      -0.30318248       2.67510267 
O       2.53363750       0.49342787       5.42476102      -0.65571411       0.76067690      -0.22542445 
O       6.60316045       6.34056914       0.51956956       0.46904908       1.50958363      -0.46478642 
O      10.62018062       4.07117637       6.96021384       0.81412668      -0.22479522      -3.16712374 
O       7.61672284       3.89425273       0.49913441       1.48189981      -1.34915115       0.54088591 
O       8.44736931       2.54096044       6.56201646       2.85313263      -1.44997106      -0.40421388 
O       4.31461087       5.82350979      10.73467062      -0.25616477      -0.10179691      -1.15186989 
O      10.46897710       0.43418014       0.77964827      -2.33057829       2.04502032       1.85638574 
O       8.26903803       7.43288326       5.91988650      -1.41335643       1.58473587      -1.09372484 
O      10.75811450       1.92381118       4.21301182      -1.24620439      -0.73843843       0.21314758 
O       8.31548024       0.19512358       4.22620121       0.87475237       0.15805401       0.50697306 
O       1.07473246      10.43870642       3.32097110      -2.38969647       3.13375818      -2.23806313 
O      10.59834804       2.07182423       9.24443542      -0.27566254      -0.46516337       0.73430367 
O      10.28022534       4.26493824       0.21439905      -1.05355633      -1.73088573       0.25285155 
O       2.30081998       9.29629876       8.97955342      -1.32278458      -0.37725046      -0.17639852 
O       3.16767926       3.25975489       2.35793140       1.58092629       1.45433044       1.21873296 
O       2.67025364       6.06894501       4.98262664      -0.20519747      -0.80679343      -0.16961610 
O       0.93249587       8.04383788       3.72355423      -2.08923030      -3.33377208      -1.12971859 
O       5.20795696       6.13218929       4.82848931       2.90696959      -2.77743144      -0.75658138 
O       4.46764335       6.70551163       7.85583119      -0.51145988      -1.89891791      -0.82535636 
O       5.38690521       5.20590196       2.64324855       0.90879451      -1.29252388      -0.16882083 
O       1.28028357       2.22217877       1.82369533      -1.25522634      -0.52529875      -0.95856937 
O       9.46129506       5.33184000       4.95683442       1.97305277       0.99266819      -2.77059623 
O       3.30584905       3.02191337       4.91823896      -1.04739752      -0.16731228      -0.36427305 
O       9.33883735       4.92616172       8.69830588       0.33410303      -0.11023297       1.37822702 
O       0.10685180       6.90374469       6.31754811       1.82202654      -0.91948277      -0.31206647 
O       2.42006497       8.28921621       6.42976165      -0.93980642      -0.09230823       0.76733574 
O       6.43638381       4.56899423       9.08302519      -0.46557630       2.04823263       0.89345939 
O       6.67662991       1.59578771       7.70098689      -1.22113650       0.13619376       1.37971886 
O       4.95177709       0.63165108       0.31481769      -0.14809270      -2.45895699      -3.39718479 
O       6.05237006       3.14796063       5.30119151      -1.36143893       0.97095319      -3.77947522 
O       9.85939766      10.40868022       8.74977003       0.57666931       1.15243710       0.09873491 
O       7.94419471       3.47659402       3.93147539       2.48951695       2.16761627      -0.79232691 
O       2.83680805       5.87530680       2.29551372       0.27740863      -1.84291828       0.45306059 
O       2.37114283       0.53779837      10.57894022       0.95087660       0.49366737       0.13811641 
O       7.61144372       9.78974932       0.18573608       0.45440852      -0.26213916      -0.32882982 
O      10.33300496       9.64084236       5.94402486       0.86549285       0.05650989      -0.81658865 
O       1.84878797       4.13858613      10.53283825       1.76122831      -0.80546025      -2.59552320 
O       7.70596648       6.45858768       2.83621594       1.08779513      -1.09123758       1.98260017 
O       3.67591521       0.33778888       2.63909925      -0.75444519       1.49897960       0.38692491 
O       5.76213855       2.26251059       1.91613585       1.10255347       1.98190980       0.64796047 
O       9.06428353       7.47315559       0.31029406      -0.20800637      -2.12232102       3.43126372 
O      10.28307916       7.46258637       8.70531659      -1.03520913       1.01460849       0.39687649 
O      10.82111321       5.97186654       2.21268781       1.54582655       1.54706229       0.08617561 
O       8.51667188       1.56405315       2.12782482       0.25444530       0.57427092      -1.63898911 
O       0.10827235       9.06393384      10.83603757      -0.74422368      -0.50820982      -0.69756224 
O       2.09945921       2.71977309       7.88383583      -3.26623025       2.53159940       3.05479238 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010393068481854107 -0.011883642809925092 -0.0013265693634567858 -0.011883642809925092 0.007801297739420865 0.006590731753860829 -0.0013265693634567858 0.006590731753860829 0.010723474520194422" pbc="T T T" energy=-947.88578055 free_energy=-947.88578101 config_type=amorph 
Hf       9.07501396       2.46080553       0.30120652       1.04078596       1.18376035       0.24263854 
Hf       3.66724684       7.22354447       1.08009670       3.42264831      -3.09741991       1.65039632 
Hf       7.21873727       7.99619733       1.74051247       0.60803337       0.11039630      -0.00756265 
Hf       6.87221455       0.22337856       0.60710506      -0.68413920      -1.59798375       2.45750527 
Hf       3.42996561       4.19899756       9.42693761      -1.66934294       1.81429538      -2.27377822 
Hf       0.34204577       3.73721512       8.76140892       0.31994255       0.54036263       0.05714862 
Hf       0.52709019      10.67795373      10.12350810       0.73648466       0.31907338      -0.05253766 
Hf       4.08177468       7.56126344       5.83662428       2.62800126      -1.29232608      -2.92231629 
Hf       4.95428871       9.84296536       3.61972159       1.17810828       1.82987099      -1.91061164 
Hf       0.83361948       3.96176193       1.52229502       0.84419308       1.38589459       0.90827635 
Hf       0.18136498       7.83875315       2.01879057      -2.35730333      -0.66263663      -0.26250891 
Hf       1.81330948       1.93212900       4.07816548      -0.44849373      -1.63256921      -2.68733706 
Hf       8.34019910       5.46603311      10.09565415       0.10983181      -0.89659411       0.10943280 
Hf       9.31806902       6.55807452       6.89908774       0.56930236      -3.21353519       2.63817430 
Hf       3.87329202       1.66911972       1.12996800      -1.48880431      -3.53086072       1.38783539 
Hf      10.02254339       3.26122224       5.35702915      -2.80918829      -0.45480730       0.59758840 
Hf       9.89154390       0.58201329       2.61863511       0.98168424      -0.04691880       2.82005314 
Hf       5.50221357       7.45776767       9.17626159       2.48868715      -1.55238891      -0.00541362 
Hf       6.79811564       2.08938928       3.65587653       0.85692605      -0.21214210       1.46682768 
Hf       4.10432356       4.75763102       4.00916635       2.33924828       0.62221009       1.81136686 
Hf       6.08989290      10.73597827       6.86461510      -3.35122007       0.04743063      -2.59344160 
Hf       1.53482771       7.57250140       8.02523713      -1.16598857      -1.47902599       1.51153895 
Hf       0.72377795       5.82668202       4.65267334       0.53587790       0.94733147      -0.27397046 
Hf       3.75943375      10.06009142       9.39174486      -0.37459297       3.08364829      -0.16277007 
Hf       1.66906588       9.60332321       4.80129368      -0.92853366       0.22782709      -0.86575186 
Hf       5.74736804       4.58134291       0.68325246       0.38369370      -1.16687088       3.08163136 
Hf       8.68177501       1.09031460       8.25393563      -0.39228913       0.27758169      -2.13514202 
Hf       9.19124684       8.45302645       9.82186298      -1.68184416      -1.13363368       1.54056563 
Hf       7.29326056       5.34798374       4.36085127       0.42976400      -0.48215506       0.74942352 
Hf       8.90399585       9.73745878       5.23819975       1.76255716       0.55039832       0.40343390 
Hf       6.53075079       3.82317319       7.21278625       0.21536775      -1.46153984       0.00870999 
Hf       3.29571898       2.19936630       6.74934115      -0.39394407      -0.91655112       2.75204132 
O       9.57735012       9.41532977       2.76706504       0.47187510      -0.25878487       0.48018298 
O       4.31354228       0.63306360       7.49716910      -2.13589432      -0.15556547       1.12347161 
O       2.26062538       5.91309204       8.90258018      -0.79933990      -0.06399139      -0.57096428 
O       5.72381462       0.52358934       4.83225223       0.45499812       1.69659893       0.06294554 
O       3.90645191       8.24078228      10.28816623       0.70722205       1.21177565      -1.80922660 
O       2.02898263       7.97163622       1.46358316      -1.46754216       0.62345005       0.58084231 
O       5.52232910       9.40554004       8.36362365      -0.61490021      -1.43457919       1.34108930 
O       7.98867387      10.47428608       7.08782441       2.44690849      -1.12881220      -1.34196686 
O       5.40987293       9.06619913       5.40413458       0.99731724      -0.80171837       2.42210003 
O       4.28565749       3.12360275      10.75635186       2.64213309       0.66230844       0.30884166 
O       3.46726330       8.61920599       4.07912703      -2.48176171       0.02915660       0.04955106 
O       7.54746467       5.42502363       6.63787497      -0.20413285      -0.02137018      -1.32571720 
O       5.21437198       8.04461052       2.05854939      -1.74123772       0.57268738       0.32617431 
O       4.47880293       3.61330646       7.41018966       0.52798130       0.93952601       1.48999769 
O       0.96228985       3.94131506       3.89218307      -0.27497686      -0.01448851       0.14785781 
O       6.78868081      10.04449647       2.49662838      -0.95425196      -0.75301179      -0.53697359 
O       7.60550800       7.06093168       8.97748137       0.84841745       1.45926796       0.17013924 
O       7.83969983       1.18204283      10.02539123      -0.05397455       1.00163386       0.16685828 
O       2.28679041       0.46816739       5.53160608       0.84490739       2.45372597       0.32468732 
O       6.49571720       6.42512424       0.57238923       0.56356084       0.38151046      -0.96374367 
O       0.59812587       3.58926167       6.66011586       0.78175061       0.30957778       0.91030442 
O       7.64903127       3.93855418       0.50008705       0.63562855      -0.23901052      -0.83943560 
O       8.89739691       2.59406619       6.98572814       0.30059672       0.36218828      -0.67606743 
O       4.44070025       5.71876261      10.45637830      -1.02376809       1.22757508      -1.06594240 
O      10.29489414       0.74986406       0.66234983       0.23002599      -1.70740850      -0.73026489 
O       8.49110558       8.08269019       6.27431753      -0.83400663       1.96578085      -1.88599818 
O      10.64617314       1.70812815       4.38252545       0.74592957      -0.69662248      -0.44961440 
O       8.29003239       0.64258897       4.35923324       0.70971592      -0.87909433      -0.48557185 
O       1.15507823       0.05417879       3.07851552      -0.75487142      -0.76305342       1.10893110 
O      10.34920950       2.00078030       9.21320633      -0.00760535      -1.27327560       0.29073381 
O      10.08519524       4.15371838      10.59171360       0.31658482       0.61344032       0.83762231 
O       1.73997975       9.45729134       8.92689398       1.32350809       0.27772449       0.24720444 
O       2.27874324       2.51652375       2.17200576       0.64212593       0.60566582      -0.36950573 
O       2.70769257       5.88825073       5.00466842       1.53726566       0.31392854      -0.46119812 
O       0.70080394       7.75891383       4.05234069      -0.32293697       0.49112202      -1.45254641 
O       5.39454700       6.08866309       4.94928121      -1.29779597       0.23459073      -1.03414134 
O       4.69547900       6.83603746       7.58297019      -0.15896288      -0.00810722       0.75621252 
O       6.44636504       4.56738836       2.77064427      -1.99396274      -0.44824206      -0.87266475 
O      10.35739660       2.70759464       1.85905081      -1.72918747      -1.02525503       1.18161763 
O       9.59338801       5.38032799       5.21497636       1.00227866       0.29399604      -0.96524907 
O       3.32434689       3.14521332       4.99094815      -0.75974702      -1.20457403      -1.01432608 
O       9.53498219       4.94306193       8.42597967       0.02629524       1.09386642      -0.28326827 
O       0.59709126       6.64130406       6.53805777      -0.98206249      -0.66598879      -0.85718153 
O       2.51050216       8.47110045       6.53989098      -0.55309184       1.03139741      -0.14528805 
O       6.61904950       4.64967003       9.07840255      -0.14833218      -0.41129235       0.92709409 
O       6.61594599       1.64451269       7.56898459       1.10312652       1.55158522       0.92782397 
O       5.05860934      10.79788766       0.02825889      -1.64602481       0.84858363      -0.42843729 
O       5.98468324       3.63032250       5.14633353      -0.41053331      -0.85510675      -0.42685384 
O       9.71595569      10.13365522       9.07615420       0.46354685       3.26899780      -1.27294616 
O       8.28417245       3.39195510       4.23415730       0.09924418       0.15686268      -0.47027144 
O       3.87475937       5.21446850       2.08882692      -0.37616927       0.87291869      -0.39536159 
O       2.66227563       0.63664555      10.43200413      -0.97021256      -0.92651764       0.19100743 
O       7.43336734       9.25441155       0.00737028       0.72698771       0.07641869      -0.61451151 
O      10.80873664       9.88996733       5.86288614      -1.81728123      -0.37671401      -1.18895216 
O       1.82941902       3.82600963      10.71541295      -0.14421104       0.83090055      -2.01895391 
O       7.78278632       6.96158956       3.26764975       0.34647905       0.02307699       1.08156502 
O       3.79714017       0.51890146       2.82286881       0.69567113      -0.87463853       0.33711715 
O       5.78637582       2.13281223       1.86117844      -1.46744230      -0.11713741      -0.60274461 
O       8.94973272       7.12594609       0.65496143       0.97817189      -0.00963961      -1.03489543 
O      10.42526190       7.53453160       8.58625345      -0.39529338      -0.34445808      -0.32170275 
O       0.15905168       5.76002623       2.10996404       0.64983609       2.23242531       0.87036209 
O       8.05966493       1.40548197       1.83383050       1.19066282       0.40527536       0.36630024 
O      10.82313597       8.95037900       0.10314717       0.39488356      -0.04338173       1.38908319 
O       2.29987287       2.80960765       8.48507682      -0.62077299      -0.65625613      -1.62970679 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.022129719108181862 -0.0019216018633842747 0.010911234662300224 -0.0019216018633842747 0.005475058296394285 0.01179108347653153 0.010911234662300224 0.01179108347653153 0.005495586239177259" pbc="T T T" energy=-939.84216344 free_energy=-939.84220778 config_type=amorph 
Hf       9.36637267       2.50120043       0.66434295       3.24244629       1.77506792      -0.28864190 
Hf       3.86517885       7.12591819       1.18492085       0.49212406       0.49780971       0.76507769 
Hf       7.38531990       7.93298258       1.94487600      -0.54322288       3.55716287      -2.19064158 
Hf       7.00212385       0.47607821       0.71830168      -1.78888516      -2.85092943      -0.81645084 
Hf       3.56099290       4.50780875       9.00930615       1.49576198      -1.64665696       0.23363021 
Hf       0.55362130       4.07211317       8.89356701      -3.37645513       0.39728717       0.57626923 
Hf       0.59446424       0.17519575      10.32171619      -1.86874235      -1.67695079      -2.72114127 
Hf       4.03070146       7.60654565       5.41599353      -1.14824122      -1.18219286       0.81379656 
Hf       4.88678819      10.08394741       3.43179849      -1.61917493      -0.55745316      -2.51828220 
Hf       1.33342623       4.49884454       1.39527503      -0.93547575      -3.11949511       0.83735963 
Hf       0.41403084       8.15795117       1.92989303       0.36771584       0.21512439      -1.28843372 
Hf       1.57571082       1.88025644       3.52736239      -2.06142083       1.45529156       1.72392548 
Hf       8.62198543       5.83452715      10.36105433       2.00762010      -4.75710119      -0.78056047 
Hf       9.55577603       6.03522406       7.05632261       1.07138715      -2.76425795       1.67863626 
Hf       3.85206707       1.72589969       0.59112373       0.67911562      -0.76423084       1.33571119 
Hf       9.50017832       3.35412111       5.35318165       3.09867278      -0.19515128      -1.47653206 
Hf       9.38419068       0.26429652       3.35714808       4.32926364       0.41294956       0.68462930 
Hf       5.46815205       7.15508012       8.94771865       0.53966457      -1.45136069       1.38858470 
Hf       6.49976076       2.05311915       3.65632436       3.23934692       0.23106347       3.25437589 
Hf       3.98624596       4.47131020       3.87868753      -3.65024962       0.29660255       1.34415878 
Hf       5.98687449      10.49269337       6.69375951       0.13070102       7.06261670       5.27888696 
Hf       1.71800527       7.58283861       7.93131732      -1.08485165      -0.21320683       1.82310256 
Hf       0.69910144       6.05954611       4.46787036       0.51436257      -2.82341762       0.44189660 
Hf       4.03185799       9.83335683       9.35196183      -0.62786839       2.68464077       1.03448028 
Hf       1.26909001       9.80420218       5.03257633      -1.14012119       0.68857074      -1.73315020 
Hf       6.00714299       4.24269822       0.83246252      -1.42343283       0.52031106      -0.03744972 
Hf       8.73174326       1.02442570       8.16309024       0.44751573       2.22127089       0.98976860 
Hf       9.32528699       8.53243987       9.92548729       0.21733645       4.59128969      -1.13689999 
Hf       7.30271460       5.45872135       4.45642037      -0.51566894      -2.53143692      -0.65154163 
Hf       8.25842398       8.98966340       5.46518881       0.36414700       4.94153451      -4.20208229 
Hf       6.52489411       3.69221321       7.30530048      -1.15236386      -4.02308977       0.02882652 
Hf       3.02414099       1.82428450       6.84642863      -0.98778305       2.63280928      -1.07452064 
O       9.27659034       9.32875223       2.52560976      -0.13748259      -1.69959103       0.09200017 
O       4.03902048       0.33605838       7.55787983       0.96835328      -1.53375635       0.37667909 
O       1.90747388       5.69535184       8.57848442       1.19096839      -0.81896238      -0.10902733 
O       5.36647560       0.47540967       4.86821968       0.10143051       2.14888388       0.11770388 
O       4.39100948       8.24564723      10.46019279       1.70837661      -0.25004729      -1.90171463 
O       2.41738855       8.35586819       1.39748940      -2.20918799      -0.61550152       0.58577312 
O       5.74082111       9.13933638       8.40673470      -0.89019987       0.41443491      -0.91519474 
O       8.10686829      10.26854933       7.13154570      -2.91338168      -0.22681043      -1.31523731 
O       5.93094262       9.09775727       5.63002509       0.02643361      -6.63072255      -3.70615455 
O       4.91977080       3.15162172      10.35086314      -1.01446039       0.52417406       0.70025365 
O       3.35630313       9.23768157       4.43142403       0.24571760      -1.01080241      -0.14888033 
O       7.63259658       4.95059038       6.30697011       2.82224907       3.09386941       0.93405448 
O       5.05678417       8.06212140       2.43733483       1.18216314       0.24269762       1.15190836 
O       4.39419105       3.30691493       7.33752651      -1.46423703       0.01422423       0.34622779 
O       1.18752030       4.16987406       4.07784250       0.80151709       0.35606905      -0.94178539 
O       6.52484927      10.18828140       2.34232027       1.52076672      -0.97685361       0.15954365 
O       7.53532802       6.94739465       9.10788333       0.47862619       0.60839830       0.57256421 
O       8.28827984       1.23469152      10.33910124      -0.65202889       0.17031652      -1.03813583 
O       1.73074717       0.84841443       5.52190657       0.72932479      -0.84556715       1.05748951 
O       6.51993481       6.34081167       1.04898887       1.00665275      -0.78600939      -0.40427370 
O      10.84251273       4.20057879       6.79118820      -0.17879964       0.41807899      -0.86279715 
O       7.95195331       4.12318964       0.38991289      -1.21387159      -0.50133551      -0.00025169 
O       8.64667975       2.41880443       6.67973776       0.14949165      -1.83374238       2.58335256 
O       4.40979294       5.68152800      10.45072637       0.18625990       1.31110380      -0.03262149 
O      10.45482985       0.86516341       0.88571265       0.52951320      -1.29838510       0.58307040 
O       8.69045076       7.78350263       6.61844490       0.82590595      -4.18643637       2.99166815 
O      10.48448412       1.90410569       4.53474219       0.20553379      -1.14698563      -1.47811722 
O       7.90142248       0.54210834       4.52078015      -1.71789005      -0.10628945       0.58315517 
O       0.86952343      10.78297460       3.18002218       0.43715481      -0.07199792       0.09991083 
O      10.34266951       2.17079941       9.30576703       0.28171662      -0.99349621       1.10518203 
O      10.49812329       4.69017273      10.84840698       0.35786829      -0.59655588       0.63517670 
O       2.14223762       9.09657317       9.17207179       0.52910379       0.81011902      -0.33749897 
O       2.80512093       2.76582144       2.12831053       0.26787521       0.59262680      -1.29351327 
O       2.87993343       6.10260559       4.63220768       0.54099310       1.51477848       1.23920722 
O       0.82868451       7.92335461       3.82305952      -0.03867592       2.03303614       1.76653577 
O       5.42271666       5.87266447       5.10807365      -1.54031595       1.13191367      -0.40671807 
O       3.83495093       7.31433731       7.63628818       1.35417408      -0.70178407      -0.97397141 
O       5.65556794       4.39547959       2.93077204       1.90412391      -0.61525858      -0.96800499 
O       0.05293269       2.93522543       2.14099066       0.65845015       0.80516076      -1.76146797 
O       9.49085640       5.34777367       4.83143290       0.97894526       3.75721296      -0.35835225 
O       3.25668634       2.54201492       4.70525765       1.17241448       1.60351178       0.26762353 
O       9.48154164       4.57641618       8.60123523      -3.87592155       3.44162005       0.72261660 
O       0.53618207       6.72264449       6.50470605      -1.04008247      -0.03510914      -1.67836517 
O       2.15297478       8.67004948       6.38939096       0.94808325      -0.07899317      -0.55687491 
O       5.75415218       5.05351467       8.50008737      -1.00077726       2.42609826       0.59241041 
O       6.85443541       1.85285324       8.02633807      -0.70308578      -1.84760497       1.06419814 
O       5.28053543       0.42236505      10.44848605      -1.10423050      -0.77956818       0.07028100 
O       6.40255886       3.12664091       5.43296115      -2.79217510      -0.95976175      -2.44167654 
O      10.12658968      10.19695194       8.71769849      -0.47453443       0.53074516       2.02076772 
O       8.09854743       3.52113474       3.81136679      -1.02556150       0.61386731      -1.02425527 
O       3.28763848       5.43243527       2.10483018      -0.13865853      -1.34635400       0.49038261 
O       2.48967205       0.56872608      10.60107765       0.91790644       0.19514784      -0.83501595 
O       7.70377317       9.34283054       0.07552533      -0.32827262      -0.06180237       0.74536239 
O      10.08216870       9.89941422       5.22229941      -0.31536851      -0.85135193      -0.25638023 
O       2.13295934       4.06306526      10.42809747       0.73740828      -0.32791344       1.16113444 
O       7.51094192       7.45908617       3.82026444       0.95588987      -0.60189891       1.45074024 
O       4.02467260       0.34629615       2.08885026      -0.08249986       0.17217332       0.96745668 
O       5.98570569       2.16858905       1.65432858      -0.73025909       0.96978892      -0.67976362 
O       9.21651220       7.14877170       0.82788244      -0.56206253       0.90908186       0.43580341 
O      10.33715188       7.21328412       8.91506814      -0.13948697      -1.55962563      -1.14877764 
O       0.64184151       6.15341066       2.11216419      -0.96709137       1.42841842       0.85372446 
O       8.28523659       1.40232222       2.16905826      -0.87315737       1.47094118      -1.56139347 
O       0.08233791       9.01299340       0.08579447       0.20716747       1.60485462       0.49074548 
O       1.80405867       2.77268863       8.38058259       4.86521878      -3.07545097      -3.29112330 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0023843337247628376 -0.013342473265728983 0.016237545531659278 -0.013342473265728983 0.01038221590806526 0.006012004422577579 0.016237545531659278 0.006012004422577579 0.019470895308922487" pbc="T T T" energy=-948.19757929 free_energy=-948.19758035 config_type=amorph 
Hf       9.20036087       2.51617059       0.41966073       1.81531995       0.27662729      -0.89302804 
Hf       3.70872216       6.97825103       1.04699662       1.46294439       0.78539834       1.45576511 
Hf       7.15323942       8.15608051       1.78738351       1.70179270      -1.38502440       0.21584406 
Hf       6.86656186       0.32249129       0.72237955      -0.12762433      -0.53942594      -1.22706531 
Hf       3.32070653       4.23795518       9.18591528       0.57972334      -2.09733243       0.32069011 
Hf       0.38945855       4.21547795       8.98800781      -2.04164105      -2.20152680       0.37685524 
Hf       0.45335953      10.80961459      10.17262685       2.98174770       0.09906986       0.09392097 
Hf       4.17662031       7.56732932       5.67186964       0.99401241      -0.59654696      -0.84326043 
Hf       4.86103874       9.92225763       3.38556646      -1.95132428       0.13915051       0.45319572 
Hf       0.88181403       4.14349006       1.72192713       0.35681190      -0.82023367      -0.56525449 
Hf       0.13594120       7.92804804       1.85189071      -1.44716512      -0.15524402      -0.91493456 
Hf       2.05903728       2.02190146       3.97561205      -2.43903829      -1.87678813       0.78770768 
Hf       8.42204999       5.71129007      10.33083771      -0.42844327      -1.52355020       0.13886972 
Hf       9.46878215       6.33899833       6.82240936       0.04698857       1.13761059      -0.72949157 
Hf       3.79866430       1.63030606       0.93590227      -1.86504562      -4.15474630       0.89723094 
Hf       9.86768063       3.35270425       5.62911804      -0.96729128      -1.13418108      -1.98824579 
Hf       9.94996329       0.73876679       2.97142988       1.30846329       0.45698066      -0.89546046 
Hf       5.58288296       6.93080971       9.18561999       0.27464887       0.98223030      -2.15949044 
Hf       6.89409664       1.92195160       3.60177472      -0.67952332       3.22654192       0.35004924 
Hf       4.11944528       4.48196963       4.09378909       2.52063649       2.57072899      -0.82701913 
Hf       5.85864239      10.61010157       6.73507503       0.73511824      -1.15734861      -0.10026982 
Hf       1.57412546       7.63656371       7.93585192      -0.91062375       0.55496902       1.02277050 
Hf       0.87747409       6.06071827       4.43926113      -0.12830170      -0.12118779      -0.43268595 
Hf       3.74775458       9.95068784       9.51499780       1.46902951       0.54550052      -0.75601525 
Hf       1.49747053       9.71731046       4.69837319       2.12787816       0.50386849      -0.12992432 
Hf       5.77832517       4.31538135       0.74325546       0.16789184       0.54508229       1.33625094 
Hf       8.52865806       1.07901377       8.27315107       0.54305574       1.56921974      -2.56122708 
Hf       9.21392958       8.61434831       9.77303302      -0.03320689      -1.59688318       0.80184451 
Hf       7.38933926       5.31571548       4.43723609      -1.33054456       0.05566008      -0.98181976 
Hf       8.73468229       9.66958784       4.98125689       1.59151720      -0.80871393       1.11565909 
Hf       6.42462431       3.68989017       7.32703405       2.66190282      -0.99532146      -1.34202383 
Hf       3.18506051       1.79091943       6.95714746      -0.13353086       1.23550730       0.36944331 
O       9.31023735       9.48353638       2.83449478       0.31630007       0.83570348       0.74980690 
O       4.45876263       0.58833028       7.82333972      -3.19619607      -0.37877698       0.61868304 
O       1.91632931       5.70694643       8.72447851       0.36775909      -0.18812389      -0.38691889 
O       5.86015403       0.51821685       4.69077841      -0.95852003       0.96683022       0.18328685 
O       4.11605202       8.05422307      10.23682714       0.25559079       0.23792131      -0.29512538 
O       2.00052724       7.75534100       1.22759460       0.12114485      -0.38952106       0.19107019 
O       5.16265238       9.11826853       8.19600782       0.61914653      -0.30401466      -0.44934224 
O       7.85599577      10.48589761       6.75224176       1.04653930      -0.68261384       0.20862912 
O       5.54107478       9.07780230       5.31408919      -0.48770202      -1.03233906       0.35976936 
O       4.57857855       2.98399080      10.71903312       0.77125458       3.47583308      -2.80880479 
O       3.24272017       8.81714874       4.00517457       0.98697841      -0.26321543       0.36787979 
O       7.75089977       5.34682797       6.38418219      -0.29636928      -0.25831890       1.23306002 
O       5.24112402       8.12373777       2.12100268      -2.08771602      -0.39409253      -0.21604293 
O       4.57770679       3.17127695       7.70284691      -2.31759299       1.62866483       0.72213877 
O       1.43982216       4.01399982       3.88308815      -0.71942274       2.25590351      -0.95519812 
O       6.63562043      10.14141426       2.43517626       1.31809114      -1.25263758       0.00546842 
O       7.50775221       7.46627113       9.12149536       2.34281644      -0.76390425      -0.91088725 
O       8.00157786       1.25357334      10.11126126      -1.37445850      -0.22948023       1.52818135 
O       2.61839508       0.56171949       5.35343092      -0.05841888      -0.48142399       1.18682741 
O       6.55617259       6.46593429       0.32437444      -0.18488336      -0.83391204       1.41794462 
O       0.17450322       4.05141074       7.01492252       0.48698851       0.90212159       0.41641616 
O       7.72444857       3.86767157       0.31901791      -1.67758431       1.18789665       0.32299250 
O       8.58435739       2.79276161       7.00231644      -0.45088345      -0.91409634       0.84574179 
O       4.27368955       5.58063494      10.29737807       0.61815298       0.10251694       0.67696855 
O      10.21479861       0.64747781       0.71933879      -0.30075147       0.39935763       1.40302917 
O       8.76972544       7.78255704       5.49915489       0.39156607       0.41437390       1.81452124 
O       0.13287352       1.94144919       4.77725628      -0.60465856       0.47049914      -0.05564768 
O       8.45933052       0.93651956       4.33295954       0.94445007      -1.63490991       0.50777664 
O       1.12055250       0.32825059       3.20829595      -0.94057386      -1.93484212      -0.33434928 
O      10.16385263       2.34675151       9.30146020      -0.05039965      -0.32707402       0.49620190 
O      10.12442775       4.47495424       0.21626157       1.06302950      -0.31188603      -0.23778576 
O       1.77315212       9.40779132       9.17926837       0.90016790      -0.63427686      -1.08027317 
O       2.74477172       2.68623898       2.29008934      -0.12050309       1.68633509      -1.92396965 
O       2.87286854       6.15034254       4.69663618       0.64973131      -0.64470665       0.76969486 
O       0.64194193       8.04145523       3.75166244       0.52304375      -0.08627953       1.62673580 
O       5.42111513       6.12610788       4.60994302      -1.11640510      -0.37628876       0.27119207 
O       4.78550690       6.41097612       7.35707143      -0.92936328       0.66459137       0.55252797 
O       6.02385864       4.00255135       2.76416758      -0.56858608       0.49975518      -0.67375871 
O      10.45637591       2.62072626       2.10420246       1.19121751       1.54277502       0.01835232 
O       9.84803257       5.31449077       4.92562791       0.52441520       0.74530926       0.67410272 
O       3.37863586       2.92796632       5.21186091       0.61959966       0.68889902       0.54802568 
O       9.50919257       5.36661988       8.69060351       0.21718963       0.09105457      -0.06127793 
O       0.63499636       6.73000337       6.39563988      -0.15135256       0.05143128      -0.66757304 
O       2.51175509       8.75137775       6.51769504       0.10505283      -1.28608191      -0.17337292 
O       6.67918875       4.83313257       8.97095301      -0.74923693       0.64248152       0.49092896 
O       6.62934437       1.55991188       7.82121806       0.25881120       0.46144002      -0.22445159 
O       5.08734331      10.79809773      10.82907136      -0.45839128      -0.15049861      -0.79113611 
O       6.02484983       3.62922188       5.17792674      -1.08775543      -0.12847641       1.13609796 
O       9.81779543      10.27608950       8.99040098      -0.55438638       2.64230159      -1.71371958 
O       8.27285078       3.54968339       4.15313985       0.52053949      -1.28688781      -0.54424415 
O       3.81180517       5.26020006       2.08229769       0.14274726      -0.24891207       0.00546607 
O       2.61334513       0.64177095      10.42320169      -1.24676734      -0.18649019       0.07564291 
O       7.69794732       9.22558487      10.83311840      -2.00699863       2.10199203       3.08045977 
O      10.64877682      10.15510707       5.50403819      -2.96019073      -0.64395817       0.00049694 
O       1.83980248       3.86337332      10.60393863      -0.14153244       0.59584641       0.66552784 
O       7.79093044       6.91208118       3.25274179      -0.51910464       0.64145033      -2.08968736 
O       3.59881723       0.23358409       2.35688995       1.21609010      -1.16660249       1.82229047 
O       5.70632697       1.68291121       1.69414169       0.64852978       0.81718597       1.10376461 
O       9.47586354       7.19873746       0.46496933      -1.56633683      -1.22918046       0.11784553 
O      10.54575243       7.75545141       8.55829343       0.07774124      -0.98363889      -1.83089755 
O       0.29448644       5.96256438       2.36576187       0.42464362      -1.30753051       0.16129876 
O       8.10011292       1.56519860       1.95230816       0.96904261      -0.34325470      -0.45696880 
O       0.03091404       9.08462976       0.24737536      -0.30817129       1.83853386      -1.16824882 
O       2.00253436       2.57398680       8.37107253       0.83000738       1.26194476      -0.73314496 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004575079454311308 -0.013343323122094582 0.004460409699669487 -0.013343323122094582 0.00011055324843746468 0.006668337542377401 0.004460409699669487 0.006668337542377401 0.005591798915107475" pbc="T T T" energy=-948.9361951 free_energy=-948.93619615 config_type=amorph 
Hf       9.23756139       2.45749846       0.71579516      -1.84420883       0.53144900      -1.57555558 
Hf       3.87578204       7.38592341       0.84383869       0.76122218      -0.12910375       1.43997149 
Hf       7.42492902       8.08897212       1.51703251      -1.10892184       1.74172592      -0.01403613 
Hf       6.69405089       0.35302546       0.71863779       0.46412873       0.17323853      -1.00865005 
Hf       3.26309507       4.34657048       9.28477571      -0.26932234      -1.46533270      -1.56590283 
Hf       0.11719281       4.00353548       9.19614328       0.66863920       1.70846227      -1.85555799 
Hf       0.59918415      10.77833621      10.18269298      -1.75119817      -0.70013918      -0.70835444 
Hf       4.40394169       7.53980280       5.58190122      -0.14008590       0.60568746       0.87048075 
Hf       4.94555857      10.03077360       3.49973305       0.30141416      -0.31426522      -0.49788496 
Hf       0.84467224       4.01411348       1.59505176      -0.06232141       2.57432368       2.08631622 
Hf       0.20237954       8.06062561       1.94900272      -0.58362192      -0.55174997      -0.37694840 
Hf       1.93240725       1.85671289       3.94252511      -1.24229540       0.39486121       2.99291324 
Hf       8.21607309       5.58418757      10.36054799      -0.81592881      -2.50728628       0.34372195 
Hf       9.44479925       6.44674024       6.93055990       2.06159958      -1.56462496       1.21858110 
Hf       3.63957831       1.42060553       1.04946721      -1.00636318      -0.34900379      -0.10189987 
Hf       9.60166620       3.43249156       5.59003568       1.64309599      -2.07648210      -0.98920760 
Hf       9.78220990       0.49890556       2.91698120       0.40083472      -0.80648938      -0.88242880 
Hf       5.80442658       6.89679129       8.83228154       0.86013910       0.08419434      -0.09089237 
Hf       6.58505497       2.17717209       3.64467863      -1.12401645       0.59243051       0.33438953 
Hf       3.97077326       4.93910804       3.87005509       0.14452611      -2.77613872       1.21048377 
Hf       6.02738718      10.55346208       6.75534983      -1.11515837      -0.06878862      -0.66751819 
Hf       1.58617353       7.64489022       8.05119306      -0.66929098      -0.81481292      -1.85918409 
Hf       0.88646142       6.01313484       4.36038325       0.33816517       1.93559166       1.26315884 
Hf       3.91877725       9.79290038       9.11378583       0.62381992       1.48586623       0.75072376 
Hf       1.78462165       9.53258044       5.01056408      -2.68994390       1.34709035       1.73608016 
Hf       5.50335338       4.45875329       0.88030792       1.03572103       0.36821254       0.83308668 
Hf       8.47525236       1.01344145       8.34650447      -1.03410555       1.04851468       0.76984290 
Hf       9.16204203       8.55001426       9.56894339      -0.68857247       1.51259530       1.61836395 
Hf       7.58387149       5.52873555       4.43502205      -0.89115329       0.78031618      -0.81041875 
Hf       8.92172885       9.46333085       5.30532626       1.17836972       0.16501721      -1.55450696 
Hf       6.62786888       3.47197279       7.18866070      -1.85504099      -0.22831732       0.12698741 
Hf       3.30257195       1.96734021       6.98051035      -0.43375980       1.34300459      -0.87033726 
O       9.36147244       9.28699953       2.60904894       0.51269236      -0.27061663       0.11263277 
O       4.18816844       0.23797299       7.55444673      -0.92738334       0.07152977       0.26056477 
O       1.83929853       5.81144956       8.69989579       0.86427927      -1.07062021       0.66880541 
O       5.49544831       0.65532978       4.72548110       1.14722120       1.29124352       0.35736279 
O       4.20081198       7.86635665       9.72378682      -1.42001705       1.33309858       1.23913677 
O       2.15774626       8.07367301       1.44498317       0.48376142      -0.48131028      -1.00827063 
O       5.63382438       9.12834095       8.13999746       0.23493714      -0.08605787       0.04791470 
O       8.05096008      10.29028051       6.80395854      -0.62647640       1.09062911       2.83132651 
O       5.82542214       9.11770345       5.29432996      -0.55774921      -1.14130273      -0.40788912 
O       4.22758138       3.30898980       0.00260585      -1.00677074      -2.52627593       0.45702718 
O       3.42788825       8.91238293       4.24235374       1.75051152      -1.06390760      -0.65702899 
O       7.88262719       4.96004573       6.39509511       0.46243769       0.96724037      -0.67339774 
O       5.15934705       8.36454807       1.98318344      -0.26272648      -0.78527176      -0.70228453 
O       4.58483203       3.31738828       7.91316559       0.10414865       0.85002339      -0.43364721 
O       1.80511314       4.44036718       3.44297490       0.71322994       0.17872756       0.09509206 
O       6.70897177      10.14458378       2.41287349       0.45066111      -0.80173598       0.23212820 
O       7.81144147       7.44433835       8.53470712       0.46355818      -0.33284831      -0.08012799 
O       7.82565582       1.56751948      10.27024031      -0.19831902      -0.68386658      -0.69273152 
O       2.33475013       0.55942706       5.45112819       1.21032900      -0.18029819       1.36184190 
O       6.52926119       6.71610364       0.12562918      -0.23039777       0.01209790       0.70893961 
O      10.39981828       4.35914150       7.05463325       1.25131423       0.37778084       2.74691311 
O       7.48627431       4.05576522       0.75515458      -0.30416577       0.40445768      -0.86544421 
O       8.47270458       2.30615176       6.81477723      -0.18116229       0.44943814       1.09638763 
O       4.56894027       5.52287670      10.09622053       0.68390175       1.62869402       0.91420596 
O      10.31586830       0.57716669       0.81217089      -0.97030434       1.71891909       1.52153624 
O       8.45552244       7.55248639       5.49149464      -0.15180338      -1.88145686       0.29638296 
O       0.37675497       2.37763320       5.24480801      -0.52625724       0.18515602      -1.46183964 
O       8.50527422       0.43757948       4.40613250       0.15214626       0.37250676      -0.11999776 
O       0.71876546       0.04223820       3.60460465       0.14435365       0.43344957      -0.55043560 
O      10.20629851       2.25035255       9.58822961      -0.20016787      -0.63829538      -0.71002662 
O       9.98771911       4.38945670       0.32000584       0.68741142      -1.23943515      -0.04403390 
O       1.92354227       9.52053802       8.89598168      -0.44063960       0.03372193       0.48859461 
O       2.16773455       2.58651917       2.04600356       1.63666455      -1.49035006      -1.74569485 
O       2.87432362       6.26422329       4.90924914       1.16374662       0.29769482      -0.30089023 
O       0.84679487       8.17212241       3.84267925      -0.39996993      -1.70139748      -0.96992868 
O       5.51142931       6.12950495       4.58735353       0.74990247      -0.54046540      -0.19332792 
O       4.71611368       6.58804264       7.29251255       0.43776340      -0.88478467      -0.32474929 
O       5.50992441       3.83853331       2.89891241       0.02615416      -0.19789894      -0.49028710 
O      10.42647032       2.69653592       2.45265099      -0.21055737      -0.51720760      -0.71858286 
O       9.95947552       5.29218507       4.88538218      -1.50814080       1.53905095      -0.86413472 
O       3.12034031       3.04692133       5.30972917       0.33884335       0.10862724      -1.64963348 
O       9.59779189       5.45897691       9.01732433       0.91792970       0.48924497      -1.54527279 
O       0.73539166       6.83615862       6.37450819      -1.39616616      -0.66582976      -0.64900769 
O       2.94622998       8.41241486       6.76979791      -0.70761133       0.95197288      -0.69700257 
O       6.95600580       4.97731744       8.70802971      -1.20696844      -0.18482113       1.09543832 
O       6.36966072       1.45388951       7.87811311       2.21431973      -0.73636140      -0.12181077 
O       4.80499722      10.71782122      10.83587917       0.05388205       0.13515431      -1.06140757 
O       5.88487983       3.27040868       5.30552059       0.69166298       0.11413603       1.77228560 
O       9.67933751      10.51640530       9.09787691       0.02071627      -0.57548361      -1.30202040 
O       8.02874688       3.60143079       4.05855770       0.96136466       0.19778125      -0.29054722 
O       4.18749893       5.68804887       2.05528695      -0.80647653       1.03444192      -1.88951411 
O       2.33591936       0.37375471      10.77589451       1.48150227       1.00931063       0.36486622 
O       7.54829280       9.59125723      10.76219194       0.97260642      -1.87611531      -0.29505958 
O      10.72484768       9.39662100       5.88116609      -0.12113495       0.80987803       0.31247104 
O       1.66940253       4.19090142      10.61793975      -0.38020150      -0.39107761       0.44103795 
O       7.77556087       6.67557521       2.74918830      -0.01211731      -0.86136641       1.35321327 
O       3.46157771       0.39599321       2.82371039      -0.34121543       0.69764650      -0.31778453 
O       5.49617613       1.63124155       1.70114274       0.26269604       0.85463421       1.33365056 
O       9.08594523       7.14939660       0.32741237       0.17307913       2.18965384       0.88785182 
O      10.45422266       7.90972402       8.26837318      -0.39781158      -0.58993023      -0.40279570 
O       0.19521097       6.06368857       2.46629451      -0.14112032       0.48541384      -2.10053979 
O       7.91467235       1.68740260       2.04746353       1.45998451      -1.00661900       0.22934805 
O      10.72407362       9.07645481       0.01852497       1.23195723      -1.16600397       1.00956214 
O       2.18887894       2.71986277       8.41586414      -1.57520188       0.15310706      -0.04660045 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.022921457293305678 0.004306817463454527 -0.0032363114420000407 0.004306817463454527 0.02354234830312661 0.0033203573756704265 -0.0032363114420000407 0.0033203573756704265 0.04179445445694024" pbc="T T T" energy=-940.23038132 free_energy=-940.23039782 config_type=amorph 
Hf       9.15436984       2.26724082       0.36405933      -2.00556926       1.24998270       0.48747344 
Hf       3.69918995       7.09407844       1.19623654       0.71840669       2.42836477       1.43121753 
Hf       7.36437353       7.91649415       2.05490567       1.22358430      -0.35565983      -0.50451090 
Hf       6.82031376      10.82508936       0.55440252      -0.07935367       3.33819411       2.25345999 
Hf       3.61342881       4.52160512       9.02554998       2.98969380       1.58158706       3.38233025 
Hf       0.68788519       3.69017558       8.50374466      -2.05773690      -0.03441099      -1.20127781 
Hf       0.31714345       0.29740343       9.96214239       4.67280045       0.12926911       0.12076002 
Hf       4.05413210       7.95500221       5.54194536      -0.26842245      -4.05222237       1.19975439 
Hf       5.13681456      10.10241984       3.66602984      -1.63312303       1.07807373      -2.56654576 
Hf       0.98871402       4.32750682       1.34291208       3.22031160      -0.35068276       2.06438183 
Hf       0.27894696       8.16267368       1.59873814       0.39889760      -1.53174932       0.78626839 
Hf       1.84014619       1.66186300       3.71557969       1.03501547       0.26799444      -1.74194802 
Hf       8.73166770       5.56780326      10.45890240      -1.01653511      -0.60083702       1.67750273 
Hf       9.39115113       6.09614769       7.25521487       1.25039284       0.19092511      -2.08089984 
Hf       3.92926276       1.74851882       1.01063345      -0.82918644      -0.33466454       1.23707702 
Hf       9.94259735       3.43912849       5.10682668      -0.32144617      -0.26574033      -1.95256933 
Hf       9.72853159       0.15251452       2.91660231       1.01139644       0.05299771      -0.27604618 
Hf       5.76932210       7.34560125       9.34876952      -1.00485063      -0.88540229      -0.79291809 
Hf       6.46410141       1.94219698       3.99590606       1.30007557       0.98556479      -1.80135520 
Hf       4.10692713       4.60200322       4.06979859      -0.02058104      -0.62997185      -0.12300375 
Hf       5.74106549      10.60612847       7.03283205       0.78177090       1.81829788       0.00082213 
Hf       1.57868405       7.51467271       7.96807371       1.54777056      -1.21315353      -1.31582121 
Hf       1.01346957       6.10822572       4.48642139      -5.59375899      -0.58001428      -1.87971044 
Hf       3.69384905       9.94092341       9.63986030      -0.55782687       1.97320918      -0.20644462 
Hf       1.25659759       9.57453409       4.74363565       1.95667542       0.39855867      -0.48363971 
Hf       5.73527666       4.59872839       1.19540245       0.13814210       0.05456522      -3.04766731 
Hf       8.54112648       1.08613750       8.07737448      -0.50644394       0.50707314       0.13227109 
Hf       9.30029803       8.74031034       9.40260187      -3.29702872       0.24075267      -0.47279703 
Hf       7.52409918       5.59571627       4.54006137      -0.46388586      -1.79308549      -1.13213937 
Hf       8.29422696       9.27282133       5.54636064       0.34787749      -0.50528230      -1.90779710 
Hf       6.35781729       3.66314584       7.10887750      -1.68680276       0.86679040       0.40118085 
Hf       3.07994921       1.79926786       6.79442350       0.22427349      -2.12546193      -1.95372669 
O       9.55742696       9.04147746       2.35477654      -2.29854926       1.74358494       0.85855607 
O       3.94528078       0.14772817       7.82442492      -0.77966077       0.20537426       0.27122963 
O       1.99010806       5.50666782       8.45133525      -0.60742278       0.93096516      -1.29572125 
O       4.91288830       0.69859467       5.36365804       0.55509703       0.89523557      -1.11069760 
O       4.63685735       8.54085128      10.70108028       1.00341054      -0.53415340      -0.19523393 
O       2.26150757       8.32185228       1.21147334      -0.42751873       0.50224241      -0.82926904 
O       5.79198443       9.26546354       8.46726739      -0.41339789      -1.42364418       1.82322965 
O       7.90347314      10.13665549       7.33326223      -1.25220494       1.89620716      -0.58974991 
O       5.84951490       9.18715117       5.49313537      -0.20611138      -1.27087114      -0.07321637 
O       4.19744803       3.56022145      10.80657513       1.13408583      -0.72891927      -0.46093613 
O       3.33108044       9.25006021       4.27536219       1.05887960       0.59932539      -0.51229504 
O       7.65200873       5.21733501       6.47950572      -0.55631943      -1.37296842       1.63285994 
O       4.94877064       8.12576216       2.62514567       1.17504438      -0.25035886      -0.69726869 
O       4.00238470       3.50066485       7.37860807       0.99037887      -0.60770145       0.33956099 
O       0.91761277       4.23687606       3.66808039      -0.46207555      -0.97319095       0.16688740 
O       6.96503613       9.80187620       2.34382518      -0.74761576      -1.49056856       1.60007860 
O       8.11731993       6.70887167       8.95242923      -1.54962099       1.68454629       0.53391702 
O       7.69934606       1.29082097      10.02795214       1.47008894      -1.11226815      -0.20747956 
O       1.85812574       0.54716708       5.52044704       0.18511100       1.24968763      -0.94726958 
O       6.80696466       6.46744115       0.40069423      -0.16982179       0.99459243      -0.14284026 
O       0.29409300       4.26191192       6.49117121      -0.12377485      -2.38019262       1.31985519 
O       7.64658359       3.92457878       0.06036452      -0.62787221       0.35406833       0.64217313 
O       8.89842881       2.27175826       6.55277151       0.16159317       0.53160838       0.76748055 
O       4.37787144       6.14869302      10.26985828      -1.18306004      -0.76840393       0.72556037 
O      10.76836693       0.93117042       0.88192737      -2.78549791       1.25389674      -0.40748388 
O       8.70933149       7.87859307       6.79189766       0.03772698       0.88089428      -0.73972352 
O      10.58199651       1.88418199       3.84549572      -0.07067200      -0.08452810       0.62769547 
O       7.53645665       0.36946124       4.61768925       0.40961399      -0.92850549      -0.06048968 
O       0.87361096      10.66820906       2.71106086       0.38141738      -0.11925585       2.56741399 
O      10.12997090       2.16245922       9.40363551       0.60973900      -1.26737727      -1.18281067 
O      10.01754664       3.96687213       0.90462726      -0.17454958       1.11862723      -0.39125593 
O       1.88568950       9.00464985       9.26803965       0.62703622       1.12824459      -0.21601558 
O       5.31005454       3.18031780       2.42293365      -0.56259158      -0.27716121       1.34384130 
O       2.78614727       6.44014066       4.41539960       4.47958600       0.24405328       1.29410033 
O       0.71574891       8.08112362       3.59039573       0.20395005      -1.85613639       1.03086951 
O       5.02711189       5.86150782       5.15801509       1.32249629       2.23231084       0.91970111 
O       4.02946199       7.41227473       7.81478328       0.19224382       0.08935110      -0.51690970 
O       6.45261266       5.45419175       2.78181590       1.20421684       1.21151617       1.06945069 
O       2.28518497       2.75692769       1.73683151      -1.13708505      -0.14802980       1.60956418 
O       9.58960305       5.61664690       4.81633409      -0.87443715      -1.15322988      -0.13921241 
O       3.01068790       2.96056146       5.04048964      -0.21126552       0.06599801      -1.40533457 
O       9.71027825       4.72923555       8.68468223       0.51125599      -0.54620165       2.31264808 
O       0.40263524       6.51835695       6.37855946       1.20659436       3.17866817       1.44101596 
O       2.27580812       8.63978422       6.31786251      -1.33888783      -0.92002886       0.95216433 
O       5.85030210       4.93527140       8.57885929      -0.66967206      -0.37422052      -0.84536287 
O       6.34738205       1.64743088       7.77645804       1.60911973       0.67252081      -1.08352813 
O       5.09618539       0.49096814      10.67097287      -1.10149647      -0.96137864      -0.83624098 
O       5.82644774       3.51832598       5.07690394      -0.87510437       0.02848254       1.59892044 
O      10.01944509      10.41685745       8.38377360       0.11968931       0.62526707       1.48576196 
O       8.11146509       3.46218773       4.13771209       0.09172656      -0.03774478      -0.01280769 
O       3.71932188       5.31128065       2.17349949       1.36144980       0.02972752      -0.57915627 
O       2.58160308       0.79521098      10.50213852      -0.67803041      -2.06947627      -0.48830260 
O       7.84417059       9.25713183       0.20020620       0.15330005      -2.56354842      -2.54697794 
O      10.20623978       9.93384908       4.72321320      -4.01666345       0.59711518       1.94669699 
O       1.66603261       4.04289707      10.21202719      -0.42147522      -0.25618833       0.85583168 
O       7.74053423       7.54283541       4.20564013      -0.09966758       1.82915875      -1.41130760 
O       3.48854296       0.66058936       2.83903252      -1.41769733       0.41148085       0.58402754 
O       5.69882229       0.88748398       2.33341578       0.53785024      -0.59132574       0.24879394 
O       9.40120662       7.07997048       0.88175822      -0.00661532      -1.68878318      -1.07776845 
O      10.47155527       7.45319985       8.67790221       2.42384391      -1.28094651      -0.18043105 
O       1.14642440       6.15248656       2.11277910      -1.01313451       0.19361384      -1.93890875 
O       8.15685652       1.47568496       1.85483149       0.82389246      -1.84578924       0.56389182 
O      10.42637348       9.38119139      10.78262708       2.10376085       0.95874354      -0.13136667 
O       1.61576711       1.84602622       8.05864595      -0.85020913       1.64775752       0.45134477 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007662525173953655 -0.009008952348083096 -0.0038915041319769086 -0.009008952348083096 -0.0028634623676565885 -0.0027263194227730926 -0.0038915041319769086 -0.0027263194227730926 0.005561397441657139" pbc="T T T" energy=-938.56639089 free_energy=-938.56640475 config_type=amorph 
Hf       8.95165246       2.62962729       0.15253797      -0.15581349      -3.00978282      -0.08617951 
Hf       4.13714126       7.77092347       1.25670095       1.35530703      -2.96393582       3.48367793 
Hf       7.75582954       7.96682316       2.10599745      -1.03463726       0.76848871      -0.12512019 
Hf       7.04900423      10.77198893       0.42086796      -2.06005813       0.28032142       2.11685121 
Hf       3.56149881       4.70211147       9.46704220      -0.57754906      -1.20812772      -1.16446055 
Hf       0.24482672       3.82462838       8.30865257       0.24203721      -0.39381914       0.79525023 
Hf       0.75964749       0.36875622       9.97610020       1.07246918       0.56986209      -0.38354235 
Hf       3.94687981       7.46365149       5.72575801       0.88236659      -0.63482815      -0.47511007 
Hf       5.13675040      10.21627442       3.84328156       0.01835509      -0.75436111      -3.61405108 
Hf       1.00694424       4.20847722       1.25125333       2.42388995      -3.58874172       2.12478868 
Hf       0.63826456       7.98003829       1.44626064      -1.57937970      -0.94546534       0.74312720 
Hf       1.85975278       1.39509210       3.60416334       2.83456929       3.17571570       0.30725896 
Hf       8.54804438       5.64018534      10.64493822      -0.67051256      -0.62174891      -0.45379197 
Hf       8.88555273       6.34596399       7.15002800       2.23183004      -1.46484131       1.38541345 
Hf       4.23543531       1.73812754       1.17146667      -3.61181454      -0.31587482       1.66541058 
Hf       9.92310226       3.27647836       5.01294716       1.77000102       0.43652230      -0.72493808 
Hf      10.00742037       0.17652087       2.87383856      -2.48959601      -1.19225882      -0.79445377 
Hf       5.67508258       7.11464136       9.26857356       0.25031136      -0.25613458      -1.08417279 
Hf       6.69847736       2.05734282       3.75983641       0.57214220       0.95551722      -0.43232887 
Hf       4.10122678       4.33251909       4.25250672      -1.05831411       1.61722559      -2.32652948 
Hf       5.75751961      10.35972486       6.97910239      -0.58499777       0.71072267       2.00774321 
Hf       1.22281770       7.79900801       8.02342390       1.77330568      -1.08338772       0.70757030 
Hf       0.65654027       5.86706714       4.98501102       0.86703240      -0.47513028      -2.54105458 
Hf       3.89582657       9.92822830       9.50177648      -0.44193439       4.20472572      -0.35020187 
Hf       1.34856825       9.19533611       4.64265367       2.05480143       1.97719040      -3.96163817 
Hf       5.64626382       4.70503184       1.20879366      -2.45654209       1.02607818       1.69542888 
Hf       8.56140834       1.20047194       7.94188643       2.18699755       2.55684557      -0.35480330 
Hf       9.16828140       8.98328898       9.40219411       2.48486537      -0.20014981       0.17537347 
Hf       7.33295641       5.27294087       4.64390302      -2.16569590       0.64806880      -4.75952419 
Hf       8.51768293       9.47408386       5.33730694      -0.44137438       0.91029233      -5.81265252 
Hf       5.85454270       3.79606040       7.12061193      -1.74721211       1.64293144      -1.71092953 
Hf       2.55867260       1.61973348       6.88144984       1.06770039       0.75295934      -1.17333588 
O       9.41802084       8.90971009       2.43940612       2.47050750       2.42602705      -0.75938661 
O       3.91989372       0.40567578       7.63499117       1.88257822      -1.57491232       0.36710632 
O       2.27580301       6.18771720       8.55966709      -0.78811371       0.41864298      -0.39668532 
O       5.69840508       0.94417460       5.02424657      -0.01138853      -2.29113776       1.67367706 
O       4.42264319       8.29805253      10.28642411      -0.16631258      -0.74607261       1.63331897 
O       2.51088137       8.70153163       1.22311733      -1.61824846      -0.26655780      -0.00784655 
O       6.04546649       9.44615445       9.01541632       0.61643747       1.29024714      -2.94920001 
O       7.77550420      10.62728838       6.66810723      -2.19005018       2.57816049       2.82731821 
O       5.56467250       9.16245316       5.56954256      -0.89414537      -1.39149553       1.40145411 
O       4.59274795       3.34591218      10.76545199      -0.69235040      -0.08086339       0.08245554 
O       3.61232428       8.64778265       4.13234470       0.11666667       0.18043458      -0.62810782 
O       7.46355303       5.13607894       6.58008362      -2.13299798      -0.63514615       2.23683415 
O       5.66987934       9.04316964       1.77103600      -0.54112793      -0.89552542       0.47450703 
O       3.88476361       3.15364556       7.35508645      -0.50246165       0.24056451       0.88929747 
O       0.49691580       4.49768334       3.48841985      -0.73481545      -0.09575522       0.12901998 
O       7.23971176       9.30280715       3.81268757      -0.80259305       0.26072348      -0.00424820 
O       7.67117097       6.47676362       9.08665719      -1.33347131       3.02311959      -1.39241947 
O       8.05785290       0.86356361       9.88367010      -0.48825388       0.60606970      -1.31742623 
O       2.17432762       0.19293884       5.36784393      -0.90167322       1.09490963       1.19865005 
O       6.77460890       6.56346351       0.75439442      -0.31507850       0.00044782      -0.73617621 
O       0.62384210       4.27586375       6.33580200      -0.84270329      -0.69629812       0.60555212 
O       7.24923138       4.01083823       0.31916197       4.05218947      -1.70554025      -3.16578953 
O       9.76646850       2.21558114       6.60047719      -0.47682548      -0.43140585       1.16399140 
O       4.41557993       5.98489331      10.65324899       0.19031323       0.99468855       0.65056460 
O      10.62523783       1.52186825       0.39681113       1.24102187       0.05417695       0.68337651 
O       8.47089212       8.16716865       6.70369873      -0.91853706      -0.58362697       2.28488321 
O      10.71353947       1.89526373       3.79312994       0.65218992      -0.09771477      -0.69394552 
O       8.68594320       0.60317831       4.26491359      -1.46492586       0.42299680      -0.34430733 
O       1.36181116      10.56668556       2.85951641      -3.91042063      -3.04153175      -0.32137677 
O       9.67465711       2.71576677       9.15154187      -1.03573524      -1.49367465      -0.18407686 
O      10.13995191       4.24571791       0.46560638      -3.14430721       0.42746182      -0.52428643 
O       2.04849152       9.57517147       9.02354568      -2.30217167      -2.07003481      -1.75364526 
O       4.71344671       3.12198157       2.59243958       1.97288946      -0.18806901      -0.16913167 
O       2.69677975       5.78206856       5.13651189       0.37728954       0.99327504       0.44929817 
O       0.68772365       7.58819069       3.41665170       1.05605998      -0.22163617       0.94775704 
O       5.29809365       5.93262785       5.05606070      -0.41093061       0.60511100       1.29000672 
O       4.28633689       7.97247662       7.86330992       1.04353628      -0.63638383      -1.89322397 
O       6.95138154       4.48866127       2.56615839       0.44672461      -0.51144982       3.60755265 
O       2.26170766       2.49568138       1.95559840      -0.58901999       1.24797417      -1.74209466 
O       9.28354243       5.59180233       5.11239328       2.71801525      -0.61350175       1.07039268 
O       2.92512782       2.77986588       4.71736977      -0.84225291      -0.10329753       2.20153153 
O       9.50574731       5.05996009       8.63327844       1.78426867      -0.50702913      -0.02014567 
O       0.02281410       6.96784369       6.54704825       0.45208543       0.74533042       0.60690443 
O       2.17081232       8.50143736       6.17485512       0.12601676      -2.31101020       3.74435243 
O       5.40212670       5.16398815       8.47202693      -0.93290894       1.47196260       0.39067007 
O       7.12460544       2.70853654       7.81038233       1.71868102      -3.78640031       1.07050835 
O       5.16289849       0.42516827      10.81455890       0.05833898      -0.33146135      -0.81483880 
O       5.69226049       3.36451119       5.05739159       0.31980597       1.37641286       0.94432656 
O      10.00020729      10.47157894       8.29558639      -0.50221625      -0.12230191       1.13045897 
O       8.08702926       3.43704755       4.47326011       0.74046910      -2.47892615      -0.34427970 
O       4.16005090       5.72708781       2.53099463       0.87054499       0.42927781      -0.92028512 
O       2.64187858       0.53787979      10.53947094       0.89653781       0.40076552       0.65614010 
O       7.88649781       9.08977850      10.83431803       0.02212060      -0.99427835       0.92049754 
O      10.36580953       9.62890807       4.69574313      -0.50289088       0.90845130       0.90428227 
O       1.82697514       3.94812699      10.05551992      -1.67914772      -0.13026074      -0.35643041 
O       7.76789856       6.85575066       3.61444160      -0.00690302      -0.28346105       0.24111702 
O       3.63467742       0.68404421       3.10542746       3.34377860      -1.78271482      -1.34548682 
O       6.25943259       0.62070439       2.43015378      -1.29211369       0.74059387      -0.62386888 
O       9.45070349       6.96388839       0.77446772       1.35868079       1.21391961       1.10525299 
O      10.31114307       7.40720948       9.00567524       0.34678960       1.85516389      -0.26104412 
O       1.53426231       5.93110915       1.26968342      -0.13583502       4.72539086      -0.61660335 
O       8.45535547       0.95893144       1.42895570       1.05654965       1.13721514       1.24469405 
O      10.83623005       9.61303108       0.02669015      -1.19236581      -1.66562633      -0.39650548 
O       1.11380396       1.85326383       8.30799381       1.25596479      -0.24421050      -1.09651494 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.007523782892288725 -0.018531164126696014 -0.006902847218228489 -0.018531164126696014 -0.01096252953761738 0.0015677277756966756 -0.006902847218228489 0.0015677277756966756 0.01764556273819771" pbc="T T T" energy=-943.63793703 free_energy=-943.63793841 config_type=amorph 
Hf       9.35409228       2.57892482       0.64438907      -1.93877150      -3.63411039      -0.58506049 
Hf       3.85852617       7.07129126       1.04370324      -1.10967512       0.64542580      -1.36231407 
Hf       7.23697281       7.84452700       1.82068920      -1.32337077       1.42872294       0.52311322 
Hf       6.83794112       0.15428444       0.63631769       2.28568259       2.29000569       1.05880087 
Hf       3.26942314       4.51414626       9.33479542       1.17552067       0.38305642      -2.63846421 
Hf       0.45980430       3.80704020       8.75873077      -3.29295413       0.25364450       0.11706926 
Hf       0.37942759      10.74675082       9.92163925       1.96535497       0.40210407       3.52325069 
Hf       4.20550475       7.48211686       5.42170376       1.57876552       0.06045060       1.98966285 
Hf       4.91649815      10.44102914       3.48755254       0.33562286      -1.88386393       0.32637342 
Hf       1.07878090       4.31490160       1.87286922      -1.14938727      -1.11020494      -0.78010004 
Hf       0.06912843       7.96013760       2.10786963       0.22344429      -1.02179781      -2.60706142 
Hf       1.88695014       1.79348055       3.79965961      -1.33370869       0.35179844      -1.17102532 
Hf       8.33900164       5.48663067      10.61136373      -0.49175813      -0.96371856      -1.99965870 
Hf       9.36066527       6.34764510       7.02576847       0.08657659      -1.48640549       0.24065140 
Hf       3.78848168       1.48649638       0.81203497      -0.20228918       1.46954063       1.89687116 
Hf       9.81631755       3.23799701       5.47338797      -1.43838665       0.11141661      -1.93822366 
Hf       9.77273555       0.39656241       2.97656103       1.68150805       0.02925622       0.31269681 
Hf       5.81662838       7.47320976       8.89545938      -1.77769574      -1.82818418       2.10612248 
Hf       6.89534523       2.09536951       3.58500055      -0.92454401       0.23766401       0.59350623 
Hf       4.24511083       4.53978345       3.87991940       0.66948800      -1.52701441       1.09799543 
Hf       5.85099061      10.63093276       6.75654272       0.75340749       0.36823146      -0.78551692 
Hf       1.49026647       7.68928840       7.83533318      -1.80651800       0.04429274       0.89849113 
Hf       0.87030216       5.96911294       4.53758221      -1.59636091      -1.26177406       0.41667010 
Hf       3.74250249      10.17578030       9.30933812       0.12648972      -0.94551769       0.13047674 
Hf       1.79426829       9.57084271       4.75119678      -0.05351966       0.79033890       0.10911999 
Hf       5.59007595       4.41496090       0.62074771       2.29613610      -0.31345921       2.16950771 
Hf       8.50530374       1.07482810       8.20152144      -0.92641461      -0.52327912       5.40531326 
Hf       9.10285336       8.56981659       9.75240864       0.10747110      -2.94839011       1.45111142 
Hf       7.24617575       5.35220882       4.51629180       1.64239322      -2.03560563      -0.96319809 
Hf       9.00744623       9.44682701       5.48576553      -2.47090155       3.21162922      -3.45639958 
Hf       6.40394500       3.54807470       7.53988335      -0.34796362       1.75912674      -1.24488201 
Hf       3.20109634       2.28210676       6.76310322       2.39856148      -0.85499086      -2.35085250 
O       9.54041884       9.13631712       3.20250202      -0.46335166       0.80597435      -0.85933101 
O       4.09035327       0.76560111       7.81909174      -0.18436408      -1.79426822      -0.82082465 
O       2.35558132       6.22313369       8.55882192       0.41944991      -2.42701200       0.53599447 
O       5.78609030       0.78268252       4.83059837      -0.69856803       0.29708960      -0.09327814 
O       4.33881318       8.40455985      10.22559754      -0.35902092       0.30404898      -0.78255098 
O       1.95295574       7.39424210       1.23665934      -0.77923181       0.83810462       0.78790804 
O       5.55953494       9.20732946       8.16178596      -0.19790889       3.51890316      -0.52101600 
O       8.07715356      10.51576597       7.00268708      -1.73248845      -1.93427607      -1.73885456 
O       5.66917943       9.19225529       5.30664792      -0.29911328      -0.03697295       0.67267610 
O       4.48846108       3.17571568      10.38301306      -1.51217044      -1.64883823       1.06272810 
O       3.62963681       8.89582622       4.11488669      -0.84203957       0.64967072      -1.62294665 
O       7.36367601       5.16427953       6.50511034       1.18944361      -0.49378605       1.56354801 
O       5.24978956       8.01256743       1.93121305      -0.71595088      -0.35724642       1.03010574 
O       4.25014242       3.94518112       7.48028159       1.73661062      -0.99979064       0.84845829 
O       0.84883598       4.04955061       3.89763492       1.00162121       0.36987309      -0.59339074 
O       6.44083959       9.96229340       2.32490232       1.30612631       0.44352478       0.96078354 
O       7.80212986       6.94420190       9.01398274       0.79075184       1.22238322       0.10417846 
O       7.97287244       1.39932109      10.23424854      -0.27606652      -1.07349147      -1.22451350 
O       2.38742368       0.53144837       5.55405291       0.52271102       1.36851756      -0.71046123 
O       6.64502258       6.15606667       0.75757305       0.39974225       0.53588863      -0.53911584 
O       0.29475763       3.79523814       6.66673259       1.20966684       1.00216350       2.49355775 
O       7.49241282       3.54881814       0.76105034       0.69056991       2.22715858      -0.72106771 
O       8.51362493       2.56037987       7.17408505       1.27498717       4.45347318      -3.51919482 
O       4.32685783       5.84954346      10.26062136       1.87743249       0.08592468       0.96176492 
O      10.03943556       0.44096982       0.94700692       1.55328669      -0.24530264      -2.15571100 
O       8.43060632       7.84990046       6.18492060      -0.56073094      -2.26055589       1.30082866 
O      10.75676625       1.80031789       4.54896674       0.31385079      -0.69922848      -0.16744417 
O       8.40118135       0.51884044       4.40333363      -0.65361807      -0.39492016       0.09723768 
O       0.96230961      10.72744311       3.34347514      -0.27575398       0.10179016      -1.18085094 
O      10.40736888       2.08804038       9.35561489       0.30247934      -0.68819134       0.28821276 
O       9.91356016       4.39124452       0.26706120       1.53260671       0.94009922       0.68374209 
O       1.84930364       9.41928105       8.87353582       0.15484223       1.63823617       0.42519577 
O       2.84400006       3.20739542       2.24192074      -0.95910215      -1.95744965      -0.46438542 
O       2.94443303       5.91453051       4.74854490      -0.92504861       0.69595238      -0.18368729 
O       0.93509597       7.78770871       3.85397790       1.11361284       2.02374983       0.41175551 
O       5.42385744       6.05627075       4.79217564      -0.79622124       0.11478044      -0.93169777 
O       4.93984497       6.85647554       7.38551478      -0.62379166      -0.00608385      -1.52593640 
O       5.98110455       4.22769537       2.77664958       0.92865197      -0.74198085       0.66581264 
O       0.13531251       2.56120039       2.05673074      -0.26188394       0.43053821      -1.37197455 
O       9.46136183       5.38888942       4.76729449       1.23071879       0.21010642       2.92871818 
O       3.10404078       3.05727732       4.81091209      -0.25338865      -0.94492457       1.38280567 
O       9.85562432       5.26931267       8.75355955      -0.60090771      -1.47728684      -0.27817623 
O       0.49600940       6.62808351       6.36501604      -1.01228460      -0.31663695       0.08593608 
O       2.54945924       8.39474081       6.37154310       1.00094289       0.40372740      -1.09953306 
O       6.73566822       4.49072235       9.36651250      -0.15009298      -0.15962720      -0.81028764 
O       6.39504376       1.46150503       7.81667120       1.16400219       0.94253944       0.36385182 
O       5.07903863       0.19442084      10.74462525      -2.68596504       0.17046017      -1.54525467 
O       5.66891638       3.37062289       5.21797879       1.04645114       0.34702842      -0.17496592 
O       9.66240994      10.23673801       8.97063274      -0.64439287       2.06243970      -2.10846321 
O       8.24025379       3.34816108       4.20920113      -0.70961699       0.66775275      -0.41239629 
O       3.94538033       5.26941439       2.01259647       0.07715975       1.59539203      -1.48292874 
O       2.45506154       0.65528397      10.32941954       0.10351521      -0.32825944       0.55578536 
O       7.28914610       9.19131839       0.03024626       1.19074483       0.02441572      -1.64317251 
O      10.81286607       9.69607498       5.45182235       1.10363023      -0.08905564       2.63464207 
O       1.62864894       4.31974365      10.40029009      -0.44584534      -0.66995535       0.81818200 
O       7.65303173       7.01078299       3.48024382      -0.03491546      -0.40805675       0.14919466 
O       3.26369944       0.46605844       2.56785426       0.29432635       0.58990510      -0.07383110 
O       5.50312778       1.57090547       2.02446324       0.24321553      -0.22353816      -0.15537218 
O       8.92067133       7.38426467       0.68486593       1.49705567      -1.29530930      -0.37645775 
O      10.38146288       7.60495281       8.41649772      -1.24507758       1.58959915       0.17722841 
O      10.77371075       6.01479141       2.44188973       1.01235975      -0.52825198      -0.13108944 
O       8.14376950       1.48290727       1.94766609      -0.26044611      -0.57010657       1.99838462 
O      10.82772040       9.00478295      10.79004285      -0.20876977      -0.09179085       0.98326373 
O       2.17666564       2.86161603       8.17277857      -2.03870612       0.76170229       2.42348474 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.006518604487428556 -0.0005848412327550548 -0.00627292184240066 -0.0005848412327550548 0.032600388329171656 -0.0014107864393074036 -0.00627292184240066 -0.0014107864393074036 0.010293526716027837" pbc="T T T" energy=-936.35725244 free_energy=-936.35725604 config_type=amorph 
Hf       8.88477900       2.15197892      10.77478499       2.58027277       3.50197061       1.92341452 
Hf       3.68627174       7.22947541       1.53936361      -0.16553673      -0.38691387       0.31796528 
Hf       8.14438647       7.66216833       1.98517916      -1.54379164      -1.58300087       0.81513010 
Hf       6.06689771       0.14259398       0.15371339      -0.68440350      -1.45920655      -3.75767636 
Hf       3.64713868       5.12830328       9.49534550       0.06254008      -0.15201683       0.42763943 
Hf       0.66228513       3.74981002       8.47277993      -2.51368316      -2.03705549       3.07992194 
Hf       0.47115137       0.35078992       9.49552908      -0.07292993       2.19053859       0.03256375 
Hf       4.07598270       7.61136153       5.30321134       0.73378735       1.37952752       0.02854346 
Hf       5.36202134       9.98832663       2.93813417      -3.17172628       0.00152857       3.08317017 
Hf       1.19387539       4.23130805       1.72355201      -1.59318648       0.63105070       1.59663154 
Hf       0.53537316       8.33304714       1.89819495      -1.69064027      -0.83551625       0.31551667 
Hf       2.32116448       1.69093276       3.92857979      -0.54399624      -2.87736208      -4.83467692 
Hf       9.34266194       5.41344087      10.80213618      -1.48495802      -1.47450631      -1.63993880 
Hf       8.91059489       6.13578101       7.37044039       0.58955101       1.84464933       2.17492474 
Hf       3.33607751       2.36861254       0.91912235      -0.35955940      -1.98963095      -3.86092773 
Hf      10.11264892       2.96462630       5.22231059       0.12501193       1.71746256      -1.69313109 
Hf      10.30698997       0.69182931       2.34993851       1.42907679      -0.84522313       0.18507207 
Hf       5.79178250       7.71145285       8.95396301      -2.66671546      -0.81817566       0.00044408 
Hf       7.30244254       1.93552781       3.56394442       0.04730844      -1.48183171      -0.50475468 
Hf       4.20641680       4.52351638       4.06983713       0.88037830       0.94808755      -0.41806587 
Hf       5.34286887      10.36724300       6.62981130      -0.54634634       1.46853906      -1.15007125 
Hf       1.33908011       7.43348513       8.34221729      -1.24600307      -1.11511520      -0.20892579 
Hf       0.87507722       5.97527262       5.08647871      -2.04617419      -1.11449456       1.23546560 
Hf       3.14172235       9.68982367      10.30263527       0.75092848      -0.41823887      -0.63375380 
Hf       1.39876600       9.37626325       5.23574577      -1.62627751       0.51984293      -1.89840752 
Hf       6.03069012       4.79428319       1.18130839       1.76941887       1.41068516      -1.62116961 
Hf       8.29280347       0.87550637       7.54022945      -1.78546886      -1.48987848       5.10309581 
Hf       8.95646291       8.89345377       9.76389771       0.39356256      -0.36628369       0.61646921 
Hf       7.37512730       5.57223059       4.94114448       1.00548705      -0.30855940      -1.95935575 
Hf       8.45395793       9.33944542       5.02940280       0.73488683      -0.52386238      -2.88963630 
Hf       5.84345944       3.73855631       7.48309426       0.46484165      -0.47432835      -0.99331315 
Hf       2.80207247       2.02592439       6.85700739       0.89611608      -1.33414892       3.87792985 
O       9.40234404       8.64710673       3.02165054       1.31188235      -0.32527765       0.44078550 
O       4.15660064       0.92090844       7.46506369       1.38833821      -1.98311750      -0.08153186 
O       1.82298185       5.24490605       8.15742680       1.78630678       2.94341445       1.75402841 
O       6.00622237       0.50536998       4.86553816       1.15383892       0.59228335      -2.63771159 
O       3.16966771       7.39413158       9.30523778      -0.17881671      -1.04454897      -0.46953408 
O       2.16947895       8.44464556       0.67540179       0.34403932       0.79139247       0.86885715 
O       4.96577767       9.57732776       9.30617512       0.92005845       0.38230566      -0.74191237 
O       7.43988268      10.09217632       6.62170529       0.51604035      -0.05010132       0.54194300 
O       4.17911087       9.70750195       5.11742336      -0.09161271      -0.70810345       0.14084597 
O       4.71433172       3.70760341       0.00686024      -0.63547423       1.68623984       1.36472000 
O       3.78975741       8.16483215       3.31379244       0.23887458       0.48423013      -0.92289281 
O       7.51213253       4.76227060       6.92071763      -0.13616071      -0.82678911       0.01723643 
O       4.75524284       9.50213811       0.88112628      -0.62418405      -0.44433695       2.21562379 
O       3.95781868       3.64321943       8.18962753       0.04102041      -0.88141395      -1.68080455 
O       1.07448276       4.44216901       3.77126175      -2.07950933       0.08474667      -0.03054163 
O       6.91127965       8.70474555       3.32225085      -0.51743644       0.48138442       0.21076825 
O       7.63396166       7.61792985       8.54471484       0.72619264       0.33021960      -0.08790014 
O       7.78867101       0.87765018      10.05034795      -3.86201747      -3.35209224      -1.93522575 
O       2.12855165       0.39464561       5.77476917      -1.45616896       0.11167672      -1.63114526 
O       7.58257404       6.20144127       0.49215192       0.15531372       0.49402361       0.02020745 
O       0.68960755       3.64434045       6.56860964      -0.57977206      -0.89475399      -2.30089101 
O       7.80912657       3.77666258      10.68937820      -1.12778251       1.18129962       0.90099352 
O       9.28027944       1.41474874       6.18203585       2.99786719       2.69752039      -3.41634512 
O       4.95594745       6.37144366       0.12653579      -1.25852858       0.46024633      -0.67854666 
O      10.59188199       1.08738110       0.31523588      -0.24384798      -0.87531962       1.02949640 
O       7.97115366       7.24119290       5.92159659       0.54374827       1.39516481      -1.36625704 
O       0.27152751       1.70325538       3.96151528      -1.14458701       0.70462071       2.24169957 
O       8.83549535       0.27364776       3.79505380      -1.25907683      -1.01339243       2.04533955 
O       0.88310832      10.12121589       2.73721308       0.24103651      -0.40088754       1.65302114 
O       9.99300040       2.16519285       9.06967762      -0.05626333      -0.79885552      -1.68073410 
O      10.35529937       3.75035978       0.78738842      -0.30483994       1.85429880      -0.46390037 
O       1.23026017       9.26786019       9.09750454       0.73521582       1.40820989      -0.17507454 
O       3.00173400       3.46700416       2.72357206       3.64265829       0.71537823      -0.44691639 
O       2.96819664       5.98859772       4.72940578       0.40914807      -1.61948848       0.73608705 
O       0.79193756       7.51089513       3.99013851       0.65451513       2.13073264      -1.12125941 
O       5.60072800       6.55139362       4.95212547       0.37125606      -1.46595185      -0.11806351 
O       5.09477178       8.32660508       6.96664146       0.61552394      -0.47835338       1.83927089 
O       5.89848676       3.41819167       2.61471879       0.13132738      -1.11423805       1.62028875 
O       1.36244485       2.19447225       2.01061964       0.34806767      -1.36300863      -1.26500025 
O       9.70416861       5.34448408       5.19670553       0.30032429      -1.02327714       1.42660045 
O       3.19194942       2.81141762       5.20441822       1.66342945       3.44666609      -2.81364021 
O       9.60182503       4.74398229       8.79466435       1.60266559      -0.51396266       0.35349050 
O      10.70216493       6.67159635       7.05626127       3.88085685       0.49199097      -1.94841121 
O       2.02111969       7.89521829       6.45285986       0.87281880       0.64641457      -0.49422505 
O       5.38864646       5.68154331       8.59864056       0.30191087      -0.35660687      -1.08035801 
O       6.56064346       1.76647709       7.21393029       0.20452415       1.72189967       1.30483144 
O       4.43014786       1.26208505      10.48323183       2.23191503      -1.35773430       1.85788490 
O       5.47803655       3.98089095       5.53299656       0.26584794       0.08136133      -0.10484417 
O       9.56698121      10.27518995       8.42692417       0.22863139      -0.03819135       1.25625382 
O       8.44918797       3.53523347       4.18927536      -1.27414864      -2.80725680       0.77166998 
O       5.07697994       6.06072566       2.54250802      -1.28256730      -2.90009296       0.14047842 
O       2.18453032       0.47825469      10.61395199      -0.89953869      -0.15090536       0.03881261 
O       7.27981680       9.04802862       0.16706238       0.82592619      -0.36086081      -0.54680488 
O      10.35422155       9.32278753       5.59119666       0.59340566       0.63156779       0.44739452 
O       2.12873382       3.49305411      10.29086577       0.38372645       1.32013669       2.21346703 
O       7.97070898       5.78110527       3.05026976      -0.96405489       2.29170497      -0.60496561 
O       3.54603891       0.32353871       2.90660393       0.06892540       2.47125140       0.19614796 
O       6.53000398       0.48320780       1.95939096      -1.37618498       0.23295517       1.60234101 
O      10.20931148       6.65698586       1.14740701      -0.24860716       1.63247119       1.09832244 
O       9.94035323       7.19817706       9.19160293       0.73245722       0.75662233       2.09515352 
O       1.86779116       6.17259266       1.57754066       2.18887531      -0.43249533       0.00566196 
O       8.57718383       1.63528728       2.00554592       0.06819442       2.54492014      -1.95534874 
O      10.11721424       9.48790053       0.55380520       0.06164993      -1.46901584      -0.73915174 
O       1.58634571       1.81324098       8.28287142      -2.93335029      -0.69188784       2.24721407 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.003222715094557945 -0.0016429070339858502 0.006874004399403106 -0.0016429070339858502 0.008017667217978669 0.01159673682588291 0.006874004399403106 0.01159673682588291 0.006458856505366378" pbc="T T T" energy=-938.20511174 free_energy=-938.20511924 config_type=amorph 
Hf       8.82401637       2.45208668       0.27162033       2.46558619       1.53225224      -2.16754818 
Hf       3.24547150       7.19120771       1.50504969       1.26490491      -0.02755632       0.03076745 
Hf       7.41693808       7.80454008       2.00600427       1.52954578       1.47551799       2.68230586 
Hf       6.80292002       0.05985460       0.54034093      -2.93126934      -0.67490889       0.49082155 
Hf       3.21551608       4.90811454       9.14580265       0.85993375      -1.80439193       1.19928438 
Hf       0.15025651       3.48852440       7.98309001      -2.90470729       0.96344234       1.05154030 
Hf       0.45250362       0.49538451       9.91515920      -2.28815306      -0.76141513       0.74026763 
Hf       4.17815302       7.42341846       5.55318039       0.20180266      -2.21757792      -1.21926850 
Hf       4.85665212       9.67153667       3.34929828       1.34418905      -1.11020661      -1.90112659 
Hf       1.24054038       4.35156680       1.60187639      -0.95929378      -1.77327756      -4.27404114 
Hf       0.38889271       8.15198027       1.80014375      -1.62795764       2.76412597       1.15135264 
Hf       2.36871546       1.65925172       3.97362511      -0.28052264       1.82537240      -2.77818664 
Hf       8.84067470       5.53481544      10.41022149       0.47893684       0.80240039       0.10541932 
Hf       9.31842272       6.69984537       7.16024069      -1.45566032      -0.98361134      -1.07877919 
Hf       3.66263885       1.33044333       1.10610713       0.36263552       4.34323014       4.29140539 
Hf      10.09521458       3.28505271       5.06506779      -1.46629220      -1.33436359      -1.86556009 
Hf      10.03522264       0.40657653       2.54718472      -0.48933959      -1.58193013       2.46310766 
Hf       5.72667787       7.50969561       9.13345376      -1.69785199       0.65987349      -0.46390842 
Hf       6.64924061       1.88147007       3.84345103      -0.76676356      -0.02252903       1.53780588 
Hf       4.49753754       4.36427927       4.13449242      -1.63094102       0.45968784      -0.30760836 
Hf       5.79848153      10.00006496       6.86051096       0.12113080       1.06588876       0.48607894 
Hf       1.38326779       7.95836986       7.93830111       3.03848760       0.15160917      -0.75803061 
Hf       1.16596423       5.85284933       4.90632497      -1.46162453      -0.28203872       1.04669077 
Hf       3.47195781      10.16772965       9.56041615       2.52832166      -2.99038515       0.20720114 
Hf       1.47589775       9.48643091       4.80474644      -0.95721936      -1.64544443       0.67542176 
Hf       5.54697489       4.66082668       1.13593683      -0.45528164      -0.01299797      -0.00755367 
Hf       8.40300467       1.09724204       8.00991228       3.08835982       3.28661146      -0.01815391 
Hf       9.33231366       8.65415544       9.84953694       0.23959242       3.98409512       3.53099845 
Hf       7.52490005       5.34862491       4.54521717      -2.11028769       0.71086625       2.55810405 
Hf       8.46960075       9.65065901       4.84616618       0.87745222      -0.43579003      -0.72440337 
Hf       6.01281555       4.13525052       7.38240888       1.88309387      -2.22073906      -1.21512468 
Hf       3.09345680       1.69069740       7.01596702       0.29232378       3.21410429      -0.30622855 
O       9.09115606       9.16924230       2.78496859       0.86693622       1.22613432       0.55149984 
O       4.12997291       0.23988523       7.88631488       0.73307367       0.15400290      -0.73826580 
O       2.34293355       6.26673002       8.21543105      -0.88187315       0.52437474      -0.69432273 
O       6.06113559       0.78916398       5.44333180      -0.58118893      -0.66765655      -0.25654195 
O       3.77546480       8.16738784       9.60311455       0.65641232      -0.44080615       1.01174397 
O       2.22968497       8.86734173       1.07721976      -0.64466053      -2.25878743       0.52341244 
O       5.84942946       9.50438809       8.95697848       1.54869285       0.87092896      -0.27834072 
O       7.95145425      10.59458793       6.81862310      -2.73357745      -2.42612262      -1.45115432 
O       5.01896723       9.18456464       5.23267733      -0.62255972       1.62181013       1.94785970 
O       5.00068381       2.78678747       0.61017111       0.09805145       0.59823072      -1.39786847 
O       3.44993123       8.09323053       3.61324512      -0.54547973      -0.06655434      -0.66731364 
O       7.25924909       5.50326099       6.98471871       1.24787102       2.04209689      -1.55528016 
O       5.58028482       8.49250051       1.70029431      -3.24794133      -0.72696989       0.20988068 
O       4.16154343       3.39704044       7.69941717      -2.55518357      -1.37216169       0.36562403 
O       0.77143315       4.46054818       3.43222472      -0.83297888       0.93347774       3.20969401 
O       6.75482601       8.96329080       3.79794897       2.46006673       0.05253772      -0.16548924 
O       8.14341504       7.30055049       9.16885027      -2.48969540      -1.62337768      -1.36640447 
O       7.93857621       0.92259497       9.92592893      -2.53261046       0.04944204       2.04499560 
O       2.57805859       0.37751557       5.58934174      -1.35891258      -0.32046628      -0.80208310 
O       6.92111096       6.33957035       0.61987942      -0.09368500      -0.46508063      -0.40119546 
O       0.87494922       3.96888338       6.25440848      -0.04909099       1.35419973      -1.29044274 
O       7.65711090       4.02651460      10.74503573      -1.41533346      -0.77004310       0.08351125 
O       9.89566888       2.28515175       6.72114848      -0.60029716      -0.41328667       1.05102988 
O       3.69734263       5.70145616       0.11560137       1.42776200       0.89358727       0.23854601 
O      10.54727840       1.46764474       1.03406648       0.10298394       1.64717336      -2.44406199 
O       8.33434632       8.11677602       6.13991468       0.41721270      -0.78230004       0.86636757 
O       0.25939976       1.97187306       3.85791833       1.01213750      -0.64483608       0.14313973 
O       8.83855521       0.93101875       4.32174546      -1.52131911      -1.59605234      -1.61045826 
O       0.76986875      10.24739679       3.11817164       0.81484003      -0.26712976      -0.63214791 
O       9.92700392       2.06606384       9.31265854       1.61938687       0.60750593       0.63846515 
O      10.04700842       4.42247622       0.67127192       0.82404653      -1.18285216       0.53819958 
O       1.63937405       9.83200739       8.84161367      -1.19634648       0.47878523      -0.02240388 
O       4.54898215       2.59907868       3.01490147       0.92985045      -0.55521076       0.58137806 
O       3.06331194       5.50057469       5.35582540       0.04521354       1.98649996      -0.66701009 
O       0.73903060       7.44245640       3.78842697       0.83489922       1.44474470      -0.07916478 
O       5.58765336       6.35283042       4.57724702      -0.15817836      -0.87846261       1.63904836 
O       4.98583469       7.96482983       7.31293380       2.29265447      -1.03325469       0.58881187 
O       6.27708895       4.68022624       2.97563248       0.65165693      -0.50691942      -2.98416447 
O       2.19070704       2.54528963       1.91877883      -0.48889905       0.42131209       0.33974316 
O       9.52887397       5.23429873       5.67182545       0.53997310       0.32597599      -0.73609624 
O       3.27056631       2.98594701       5.09296463      -1.76468555      -2.07879650       2.05345323 
O       9.56601825       4.89652244       8.45631387       0.25746525       1.39109959       1.76908158 
O       0.37120292       7.27270306       6.35126689      -0.95745271      -1.75270292       0.57412474 
O       2.66602856       8.45281084       6.42442879      -1.84698219       0.96982219      -1.11077464 
O       5.27087490       5.27604437       8.86532179       0.54074310       2.32156906       1.13358951 
O       7.41324887       2.80206128       7.71958688      -1.21287860      -0.83891666       0.66289197 
O       4.66754047      10.80726723       0.27132482       2.68105915      -1.81377678      -1.67792599 
O       5.89336484       3.47302379       5.07295353       1.10345954       0.11779320       3.89741971 
O       9.79324409      10.37560967       8.80607330       0.74778661      -0.32222702       0.61485489 
O       8.04147770       3.50690270       4.19573392       3.90563021      -2.32093945      -0.42569799 
O       3.97113727       5.41722507       2.47148298      -1.07199488       0.55543715      -1.12196371 
O       2.34896773       0.61933399      10.60651745      -0.82511264       1.08587612      -0.18031560 
O       7.57163604       9.18165123       0.35664378       1.60437674      -0.50733685      -0.43761957 
O      10.61069291       9.74699284       5.48299379      -0.45017035       0.07320375       0.05996927 
O       1.73670655       4.24009931      10.25888119      -0.53506296      -0.80554729      -0.46222657 
O       8.39568922       6.67512413       3.61187700      -0.05381569       1.35347252      -3.26793284 
O       3.37223441       0.25422779       2.92873919      -0.07577981      -0.58130775      -0.34142980 
O       5.98062383       0.26766688       2.59738042       1.17112919       1.63380406      -1.47949751 
O       9.79963686       7.37711608       0.57987079      -1.71088617      -1.41630748      -0.67104309 
O      10.59063329       7.57636399       8.85996342      -0.65789473      -1.12781996      -0.62114415 
O       1.08568056       6.30727148       1.58123465       3.32584269       1.07699767      -1.01062012 
O       7.90288288       1.39927680       1.56966491       0.34651477      -0.14107666       2.01216159 
O      10.45671007       9.82108925       0.64990898       0.65779927       0.88472993      -2.12007326 
O       1.49660995       2.17190849       8.14213822       3.11874746      -3.51262165       0.58723917 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.011254302219811796 -0.015019676568482358 -0.0051472191036480265 -0.015019676568482358 0.021930047382950804 -0.0006893124301417844 -0.0051472191036480265 -0.0006893124301417844 0.02905265187726799" pbc="T T T" energy=-954.95237282 free_energy=-954.95237315 config_type=amorph 
Hf       9.17030590       2.45585948       0.34044261      -0.58830849       0.61141891       1.09272544 
Hf       3.79246380       7.01828257       1.23639401       1.33608939       0.39731251      -1.54799729 
Hf       7.17964036       8.01232804       1.69088499      -0.57977964      -1.51683652       1.27513484 
Hf       6.83915877       0.26696176       0.85672921      -0.62334400       2.17101296       0.58494532 
Hf       3.42250197       4.35579828       9.22648670      -0.57299399      -1.37835812      -0.21590892 
Hf       0.39633247       3.96743427       8.99032260      -1.20874013       0.17385232      -2.60649645 
Hf       0.46277688       0.05770102      10.07447849       3.50295358      -0.34464288       0.87222343 
Hf       4.22728794       7.44250699       5.69704630      -0.07867387       0.28907969      -0.25999680 
Hf       5.01341072       9.95816885       3.68380985      -1.27638798      -0.22650514      -0.34671570 
Hf       0.77109313       4.14733321       1.59132075       1.89279249      -0.37316939      -0.33912281 
Hf      10.82549137       7.96609155       1.86314757       1.03819984      -0.25190483       0.01552767 
Hf       1.85262189       2.02684404       3.91105957       0.33484889       0.23364535      -0.75149950 
Hf       8.35162390       5.52933211      10.20891381      -0.31513023      -0.29392566      -0.64860804 
Hf       9.36892240       6.44703770       6.79464074       0.83966867      -0.61029864       1.03784018 
Hf       3.74632567       1.46449705       1.07130174      -0.26830989      -0.52108767       0.44162461 
Hf       9.85683980       3.31208386       5.48632832      -0.27688493       1.29282729       0.24538654 
Hf       9.99824218       0.68425819       2.86307741      -1.65017449       1.17210468      -0.10195840 
Hf       5.68103577       7.15431442       9.10872470      -1.28587043      -0.45719548       0.96445954 
Hf       6.75153805       2.06842456       3.79667422       1.26047609       0.64774968      -0.79538060 
Hf       4.28190879       4.55297208       3.98614380       0.44782545       0.65363612       1.90819057 
Hf       5.94359343      10.50246073       6.81154366      -1.87108417       1.37730886      -0.17091643 
Hf       1.49299728       7.59367120       7.90245774      -0.62642510       0.15698148      -0.50787088 
Hf       0.78068169       6.01890988       4.32622555       0.94872427      -0.38149997       2.17387821 
Hf       3.87361424      10.02463367       9.43344035      -1.08021841       0.52170437       0.16752545 
Hf       1.65795591       9.82186179       4.74404667       0.24116912      -2.72542770       1.02314192 
Hf       5.68882923       4.40184001       0.85363992       0.06308487      -0.08958681      -0.08896096 
Hf       8.43576907       1.03551450       8.23717992      -0.31459806       1.30456761      -0.56893777 
Hf       9.13506603       8.68103775       9.73019403       0.58675675      -1.74815399       1.00541183 
Hf       7.39316330       5.38155899       4.42967040       1.40156102      -0.26718020      -1.58588728 
Hf       8.93325743       9.61576080       5.09274490      -1.20844900      -0.62380744       0.03106421 
Hf       6.62863859       3.66487429       7.26473579      -0.97559821      -0.42174264       0.34131229 
Hf       3.21015141       1.99483362       6.87442295       0.70947174      -0.34119588       0.84768802 
O       9.53825321       9.47899462       2.92369554       0.51121038      -0.29900990      -0.00248601 
O       4.14909824       0.38870229       7.69702301      -1.04365976       1.08502666       0.00300841 
O       1.88293980       5.68870514       8.54361769       0.79936506      -0.25055432       0.49031600 
O       5.43770549       0.64646795       5.02161998       1.19778766       0.66295757      -1.00009411 
O       4.26857219       8.20220702      10.30920130       0.39799305      -0.41402508       0.51749574 
O       2.03667057       7.61961834       1.23165130      -1.37137184       0.35511337       0.64873129 
O       5.39089221       9.26588184       8.25122209       0.82516726      -2.05701149       1.27432379 
O       7.89968731      10.32893567       6.96200720       1.63299051       0.30956273      -0.11219680 
O       5.65834586       8.98841829       5.49216437       0.17738110      -0.57975636      -0.32408380 
O       4.48986112       3.07610845      10.79862958      -0.79583551       0.33595152      -1.05874750 
O       3.45556318       8.83273859       4.26994812      -0.51140828       0.55888315      -0.82624441 
O       7.73100484       5.18755210       6.46514677      -0.33025347       0.05979303      -0.49658062 
O       5.14988139       7.99310522       2.35943164       0.08207358      -0.03654557      -0.54870302 
O       4.53042516       3.55186639       7.57522830      -0.92754299       0.09495577       0.89479674 
O       1.17306266       4.02683888       3.84635576      -0.17648011       0.59152867      -0.48496106 
O       6.67854399       9.94686868       2.50036090       0.26003553      -0.50973199       0.44194384 
O       7.65046865       7.38993104       9.09773795       1.89905673       0.83181516      -0.39447977 
O       7.79227088       1.20581783      10.18119154       0.82331131       0.32473413      -1.08907171 
O       2.21386128       0.67662573       5.57669983       0.32166830       0.73597295       0.28066937 
O       6.51565632       6.34600861       0.56473506       0.17879379       0.79250603      -0.07815889 
O       0.27597807       3.95526885       6.86246174      -0.84477073      -0.80295506      -0.26882544 
O       7.52008287       3.82212935       0.30535213       1.41357883      -0.13962099       0.00627158 
O       8.48697875       2.59608894       6.87554887       1.36938246       0.06337811       0.09905604 
O       4.35167818       5.67623748      10.29460633       0.17296331       0.71834183       1.02670184 
O      10.36809338       0.73144852       0.77841911      -0.50516967       0.29065778       0.46957716 
O       8.44938903       7.78693790       5.71428045      -0.12004143       0.87175382      -0.06750833 
O      10.77546091       1.82524127       4.57208699      -0.55677753      -0.05821603       0.04452063 
O       8.31688365       0.61472927       4.20100870       0.01708411      -0.00970592       0.97999819 
O       1.06441164       0.14732301       3.24999882      -0.10655933      -0.45787130      -0.89515286 
O      10.23122309       2.12578382       9.34000789      -0.38716906      -0.32582213       0.04780268 
O      10.03784891       4.38395469      10.85424922       0.77487070      -0.65162549       0.60503415 
O       1.94662496       9.47932574       8.96083455      -0.67713243      -0.86425532      -0.20704998 
O       2.40912620       2.72497166       1.98871465      -0.48685487      -0.42332178       0.68253839 
O       2.99219701       6.03096077       4.77777055      -0.56979026      -0.65435058      -0.47175137 
O       0.82447973       7.95586410       3.79684510      -0.42704865       1.04418158      -0.45105359 
O       5.50861252       6.07129595       4.73887828      -0.39791032      -0.35978070      -0.08416529 
O       4.73564211       6.60600612       7.54193857      -0.80263826       0.23872134      -1.08289218 
O       6.13595547       4.23746925       2.82937242       0.15561009      -0.27979464       1.30288331 
O      10.41561624       2.79769344       2.14367674      -0.83110681      -0.86550375      -0.84620279 
O       9.67460131       5.47078592       4.85725259       0.43010027      -0.42315903       0.44490272 
O       3.32204686       2.91266330       4.99461934       0.52495223       0.81176309      -0.38850169 
O       9.55125740       5.18156590       8.51686990      -0.53562428       0.19408524       1.20166435 
O       0.43759653       6.62366008       6.35084566       1.72092026       0.92003188      -0.63772313 
O       2.60247129       8.50090334       6.43330256      -1.09195510      -0.98357107       1.42281017 
O       6.70968254       5.04316237       9.04413737      -0.70165376      -0.71255141      -1.09730307 
O       6.49305022       1.61344135       7.75558723       0.60547874      -0.68870380       0.53184821 
O       5.05042766       0.09159904       0.04245717      -0.70813764      -0.13139401      -0.69440027 
O       6.03743203       3.42254214       5.25992865      -0.25988481       0.27972673      -0.06640732 
O       9.79233737      10.42112888       8.93823703      -1.16197096      -0.33228563      -0.75296130 
O       8.30517441       3.54980824       4.06216896      -0.40915921      -1.01868580       0.35753562 
O       3.95819953       5.03236278       2.10202543      -0.94702158       1.86257164      -1.13716649 
O       2.48344571       0.48351612      10.63346685      -0.24555876       0.22145439      -0.18687652 
O       7.58546075       9.43357508       0.16588316       1.20754714      -1.55365935      -0.89987646 
O      10.64812913       9.82274094       5.78554411       1.37745454       0.17044684      -0.52202880 
O       1.74541487       3.97873086      10.52330810       0.33135839       0.43554716       0.50942021 
O       7.96529133       6.87798992       3.10496281      -0.65627337       0.18427283      -0.40324497 
O       3.65126540       0.30747499       2.81100204      -0.14935710       0.32850614      -0.09964402 
O       5.62075571       1.76092666       1.98637119       0.69991136       0.22873194       1.07616118 
O       9.18387363       7.17153717       0.44794210       0.13937320       0.78927009       0.36722948 
O      10.38253288       7.70500982       8.37766983      -0.80869469       0.89303563       0.66465761 
O       0.35314206       5.97338492       2.30676840      -0.90970325      -0.14480085      -0.51370797 
O       8.11046924       1.60398111       1.92888925       0.50508774      -0.74403720      -0.14869953 
O       0.02441911       9.16888838       0.25870690      -0.87525690       0.32055924      -1.45710062 
O       1.98552646       2.58866536       8.29985175       0.99562000       0.71739356      -0.11130564 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0010902744911655124 -0.01075249653274681 0.002064146434959638 -0.01075249653274681 0.023101583420633575 0.002595639442000776 0.002064146434959638 0.002595639442000776 0.01215963449789468" pbc="T T T" energy=-943.86040666 free_energy=-943.86040767 config_type=amorph 
Hf       9.26732041       2.48658754       0.41357292       1.07529235       0.20362784      -0.98146215 
Hf       3.59540051       7.27248430       1.23827813      -0.84498211      -4.19025389      -2.68650578 
Hf       7.11156738       7.88186355       1.73956373       2.47201359       0.00843157       1.15177781 
Hf       6.71955509       0.37265474       0.63132756       1.17360701      -0.61964560      -0.65663765 
Hf       3.28466493       4.35227930       9.51299078       3.01951482      -1.29699357      -2.36236700 
Hf       0.32978536       3.81929443       8.85670292       1.91471405      -0.59313500       1.44155474 
Hf       0.65750898       0.02009252       9.88452015      -2.62955292      -0.36833815       0.23775168 
Hf       4.32559338       7.71078541       5.80952299       0.01084615      -0.65425815      -0.20153662 
Hf       5.04379725       9.92596041       3.34026752      -1.61804317      -0.00521178       2.04188049 
Hf       1.01939779       4.17542362       1.72195384      -0.16331861       0.51015547      -0.51676102 
Hf      10.74052687       8.03783832       1.81032941       2.36232874       1.63393808       1.12686103 
Hf       1.80521617       2.03160119       4.12376134      -1.40074679      -1.45189157      -1.41135446 
Hf       8.38001253       5.41029589      10.24314989       0.33876002       1.46816060       0.19063696 
Hf       9.51312627       6.23700454       6.87124106      -0.78519616       2.84212954       1.86782303 
Hf       3.73663018       1.59230108       0.89097093      -0.86068491       0.42703003      -1.05231443 
Hf       9.88962862       3.24848197       5.61230772      -0.28003395       1.29686195      -0.97914879 
Hf       9.98738072       0.78309669       2.79845382       0.44468345      -0.77859760       1.30462041 
Hf       5.61047202       6.87617039       9.21909982       0.02912940       1.06137574       0.15221050 
Hf       6.71843613       2.25002979       3.64046571       0.46581394      -0.14131356       1.39721343 
Hf       4.09337405       4.70234130       4.32718949       1.12441416       1.04148711      -2.83616854 
Hf       5.76964334      10.52105030       6.58660232       0.01318998      -0.13506840      -2.21189896 
Hf       1.47207023       7.43380062       7.93883698       0.70436511       0.34303325      -1.02728955 
Hf       0.77099510       6.17684737       4.29004640       1.86848251      -0.04280139      -0.89301525 
Hf       3.77089090       9.98126120       9.33281739      -0.20361585      -0.62770061      -1.69816516 
Hf       1.63465989       9.80732089       5.05445494       0.07673925      -0.56852566      -1.69340452 
Hf       5.96074811       4.27856427       0.91391075      -4.09658320      -0.78070461       0.47794720 
Hf       8.47359850       0.82565667       7.98650423       0.82443794      -2.40973555       2.29223659 
Hf       9.13667136       8.73300846       9.75723419      -0.79014631      -2.85543819      -0.62216239 
Hf       7.53054775       5.47185266       4.64587997      -1.14290322       1.56031805      -1.20465825 
Hf       8.90618590       9.42591819       4.95936428      -1.20847861       0.82336638       0.40310621 
Hf       6.55146136       3.67209681       7.24675331      -0.33921106      -2.98749878       0.92511100 
Hf       3.25438718       2.20768726       6.93585292       1.14475123      -0.55017433       1.67829655 
O       9.62332975       9.58288133       2.73161196      -0.29879231      -0.02029204       0.50816932 
O       4.11092282       0.48978317       7.48881372      -0.28000922       0.86978011       1.16457011 
O       1.82905859       5.49679993       8.68761953      -0.62719134       1.72574900      -0.02128159 
O       5.42598974       0.75857314       4.64460196       0.82174201      -0.46051765      -0.84275347 
O       4.15468666       8.22933609      10.30559623       0.74354747       0.18086817      -0.49930168 
O       1.91485045       7.96181046       1.48932956      -1.16610678       0.96788150      -0.74113838 
O       4.91710350       9.08818099       7.80519385       1.20071931      -1.16101205      -0.48724331 
O       7.76110877      10.16489256       6.66562818       1.73121571      -1.60616691      -0.21530547 
O       5.94093688       8.73942196       4.91949928      -0.99962653       0.78627544       1.66520904 
O       4.67505286       3.04834232      10.54384323      -0.34689663       1.04079161       1.02565121 
O       3.49664898       9.29211287       4.51625521       1.48341006      -0.71575366      -0.71269919 
O       7.77854170       5.14374841       6.77163915      -0.39709925       0.10751673      -1.34932522 
O       4.90438950       7.94483002       2.34190089       3.69038035       1.61495755       1.78806305 
O       4.70771466       3.43941640       7.89722129      -2.08375903       0.10531246      -0.86203769 
O       1.18895442       4.02091597       3.78971942      -0.36653002       1.52184299       0.55322941 
O       6.77192858       9.87435643       2.39560124       0.98293150      -0.20605587      -1.90749324 
O       7.76001695       7.07033785       9.08049251       0.27922932       0.55737077       0.22780958 
O       7.90093633       1.26848813       9.98260913      -0.45933099       0.09483208       0.75634129 
O       2.26866213       0.77402381       5.78693579      -0.95760064       1.04892083      -0.68702396 
O       6.53457049       6.43432577       0.49942395       0.38635934      -1.14590504       0.23129430 
O       0.50714695       3.99984171       6.89093874      -2.27595145      -1.27791780      -1.34650809 
O       7.85344670       3.97396003       0.87913804      -0.77112217       0.74774935      -1.09345083 
O       8.83081083       2.37423266       7.00049811       0.85017001       2.88688210      -0.93152907 
O       4.36972016       5.77053530      10.36817372       0.15809435      -0.11865881       1.29997658 
O      10.53325763       0.97919451       0.67573475       0.29893848      -2.82232829       1.45326755 
O       8.36541039       7.53426866       5.62742369       1.46163180      -0.43701052       1.06182411 
O      10.66188902       1.86961894       4.51626716       0.40551930      -0.04812308       0.17087997 
O       8.39294691       0.61711018       4.34891405       0.13221950      -0.19782173      -1.20997358 
O       1.14797447       0.08826983       3.26889671      -0.29000643       1.28475121       0.86592319 
O      10.46463445       1.95073627       9.40091349       0.04067995       0.72447714      -1.38756690 
O      10.20610060       4.38394677       0.18391047       0.08240810      -0.23168168      -1.70421403 
O       1.78521028       9.37962319       8.76873230       0.47112099       0.11193576       0.75372488 
O       2.49522118       2.33390844       2.30413953       0.40996117       0.61802278      -1.45257307 
O       2.84245803       6.17441718       4.80819735       0.25750706       0.45833254       0.21100672 
O       0.85845330       8.19397627       3.81472368      -1.02036168      -1.82587598       0.29563085 
O       5.43307373       5.95171724       5.12031322       0.22546060       1.34775272       0.19206288 
O       4.60329154       6.47003571       7.67318787      -0.47483282       0.35549449      -1.12593119 
O       5.94438562       4.32756848       3.16002791       0.37261871      -0.09615936      -2.20582042 
O      10.37632988       2.95545713       2.08388185      -0.09418356      -1.73056385       1.10771148 
O       9.58636058       5.30529901       5.12718454       2.08040100      -0.52911320      -1.66087811 
O       3.21357605       3.06859606       5.05717978       1.04581135       0.41726734       1.59752580 
O       9.65661004       5.08975049       8.79429426      -0.81893192       0.73899519      -2.19169088 
O       0.53873950       6.57330784       6.13769965       0.36941736       0.95675192       2.87995775 
O       2.41927191       8.46351999       6.46435556       0.35397524      -1.33278075       0.70665116 
O       6.71198419       4.55706786       9.10718722       1.25078855       1.42353741       2.51310640 
O       6.73952798       1.20790757       7.31929205      -3.01612021       3.27913570       1.06993503 
O       5.05379900       0.12652038      10.44977524       0.87441150       1.09261526      -0.11649822 
O       5.91088169       3.39052521       5.39383580      -0.02724128      -0.30342351      -0.31148870 
O       9.77861286      10.17040640       8.63317813       0.19552130       1.81975846      -0.09097816 
O       8.22890813       3.62654666       4.27315411      -0.13937195      -2.00146472      -0.37372420 
O       3.41296129       5.21375882       2.11580997       0.37419890       0.67914946       0.56340191 
O       2.48946285       0.34797324      10.43805058       0.68527527       1.42446076       0.61082024 
O       7.50745887       9.44126833      10.66831480      -0.55767446       0.12146798       1.30582631 
O      10.65431910       9.86460079       5.63392003      -2.63329141      -0.11992700       1.02878778 
O       1.96639711       3.78375395      10.70438322      -2.34003841      -0.48272118       2.75918074 
O       8.25770301       6.86097529       3.14135736      -2.87543899       0.30884853      -0.94480995 
O       4.10521921      10.84141081       1.86739783       0.44545438      -0.66901297       1.42052276 
O       5.63847601       2.18108755       1.67967971       0.56049185      -0.34841269       1.22975838 
O       9.23680980       7.41177122       0.72131486      -2.96725500      -1.27867105      -1.99363049 
O      10.46023556       7.64024054       8.16791025      -1.85977323       0.03039535       1.10608667 
O       0.29437993       6.08228509       2.23155639       0.05808322      -1.32150498       0.39324244 
O       7.98839584       1.58339484       1.87889494       1.14851133      -0.83150069       0.16994691 
O      10.79099126       9.11845167      10.72391967       1.11507668       0.99203081       1.53676272 
O       2.17887480       2.82899266       8.49013491       0.47848572      -1.17924884      -1.49697581 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.013487903405561916 -0.00907232996118876 0.01943747769484367 -0.00907232996118876 0.006724230237875158 0.009592813707595951 0.01943747769484367 0.009592813707595951 0.007881804837281021" pbc="T T T" energy=-936.22655333 free_energy=-936.22656412 config_type=amorph 
Hf       9.04460854       2.63989002      10.60318281      -2.86512010      -1.34863384       4.50920177 
Hf       3.41525980       6.86162319       1.52353536       3.42539505       2.24798874       0.52383208 
Hf       7.38868733       8.36037282       2.18729185       0.34852468      -1.57417136      -3.49491948 
Hf       6.67967262       0.19264290       0.35509034      -0.61656521       0.22966870      -0.09591662 
Hf       3.85389290       4.35492597       9.56002510       0.31447628       2.36590559      -1.31707168 
Hf       0.53968976       4.00882850       8.58843493       1.78200208       0.04684821      -1.14835524 
Hf       0.60036141       0.53888433       9.80646052       1.29058299      -0.71718220       1.76477148 
Hf       4.09448205       7.56738588       5.41759419       0.21010990      -1.71342486      -0.88709513 
Hf       4.87713775      10.09190089       3.25976890      -1.02411845      -1.28243569       2.42722807 
Hf       1.12671934       4.09013972       1.78467213      -3.14713868      -3.64280947      -1.73304666 
Hf       0.15565516       8.21166313       1.98954722       2.96770705       1.56119628      -2.44336571 
Hf       1.93928552       1.74687658       3.82376768      -1.48077161      -1.65562671      -4.19298584 
Hf       8.78752770       5.90996845      10.64212827      -1.15504418      -1.62364330      -2.24564194 
Hf       8.93349519       6.23495649       7.08227855       0.56553138       0.24817119       1.10209316 
Hf       3.77268350       1.76567035       1.19458844      -1.80036522      -2.16313446      -0.71659755 
Hf      10.17859883       3.11525030       5.13272226      -0.64434403       1.68925686      -1.22621781 
Hf       9.86601592       0.25725888       2.49775440       2.36415274       1.63859190      -2.93382703 
Hf       5.60465106       7.34656508       9.11421856      -1.60948537       0.84774950      -0.40736895 
Hf       7.01007646       1.89297369       3.40003126       0.95666657      -0.56294654       3.10187642 
Hf       3.98612600       4.22556688       4.17821728       1.70651106       1.02687599       1.49458230 
Hf       5.64254475      10.40058908       6.75294047       2.64239384      -2.32574310      -2.99347807 
Hf       1.80273571       7.62765737       8.44219701       3.51203404       0.33724652      -0.66807835 
Hf       0.93586601       6.03603329       5.00282740      -0.73115269      -0.99509771      -0.33569849 
Hf       3.76817410      10.41410872       9.30426505       0.26062404      -4.08324541       4.72308659 
Hf       1.19048571       9.52198430       5.02711004       2.57064290      -1.54785659      -0.50398854 
Hf       6.13357109       5.06538371       1.29065965       2.92476435      -1.19862437      -3.89488230 
Hf       8.62142253       1.00962663       7.70957926      -3.08902214      -1.53374635       2.79094794 
Hf       9.55853724       8.89654545      10.05483227      -0.32191011       0.74404335      -1.64019121 
Hf       7.39246111       5.06527157       4.40239140       0.19443571       2.41918726       0.30959443 
Hf       8.44001499       9.22484392       4.97821331      -0.74453666       2.17987782       1.07987448 
Hf       5.92342024       3.64008650       6.92819463       0.76277891      -0.48308318       1.49343399 
Hf       2.62332517       1.77625194       6.94489128      -0.42311418       1.15110299       0.63442496 
O       9.36158795       9.00229988       2.91529217      -2.80720473       0.28829876      -0.54268649 
O       4.17279279       0.35584149       7.59608457      -2.73703649       2.66245221      -0.46031279 
O       2.56970516       5.84450893       8.89264595      -0.22395073      -1.13591451      -0.61841524 
O       6.17502524       0.28865885       4.97602326       0.07002152       1.03975658      -0.92067954 
O       3.73082702       8.08187759       9.57552962      -0.90146434       0.01959645      -0.29152274 
O       2.10091081       8.10437697       1.10316614      -2.45535464       0.33886780       0.71167284 
O       5.69603655       9.40346789       9.34404971       0.66531739       0.95577353      -1.30148377 
O       7.73216897      10.23175950       6.99050005       0.08250342      -1.12094348      -1.82969685 
O       4.25139080       9.72168818       5.30129714      -0.69010547      -1.37011526      -0.48604663 
O       4.72827911       3.38293748       0.37290531      -0.56478327       0.18663279      -0.55820960 
O       3.83746114       7.80040468       3.41025176       0.03864006       1.20664415      -2.20926887 
O       7.52419265       4.94607099       6.67238854       0.73354773       0.40801734      -0.41555179 
O       5.63265645       9.31745651       1.51255111       0.30114776      -0.58763399       0.01236006 
O       4.09896736       3.20750886       7.70322178      -1.72514077      -0.55332231       1.48875707 
O       0.91799687       3.88476025       4.00793241       1.64976444       1.62760838      -1.82818315 
O       6.56072662       8.89226837       3.82552533       1.37543410       0.19444278       1.48725122 
O       7.97361686       7.16488765       8.97821124       1.06894968      -0.49325645      -0.68128444 
O       7.50917743       1.18306626       9.76102870       3.27449036       1.80474130       0.38600426 
O       1.74250168       0.49023675       5.51746643      -0.34170209      -0.25384043       1.09856767 
O       7.12278103       6.80205618       0.48601786      -0.48627969       0.31050748       0.70309588 
O       1.03710669       3.31046811       6.57600119      -1.28615446       0.61236795       1.47977706 
O       7.70885601       4.26240479       0.17358792      -0.19232483      -0.71349838      -0.99336486 
O       9.60456811       1.78705022       6.36610005       1.31203639      -0.51154678      -0.03356457 
O       4.80013563       5.88925190      10.84093932      -1.78585985       1.10943133      -0.57666435 
O      10.20918598       1.16467047       0.52828027      -0.58164034       1.03975735       0.32651300 
O       8.17359942       7.45935693       5.71147593       0.27471097      -0.18901714       0.40533954 
O      10.58089318       1.88803491       3.58823977       0.64469740      -0.93083767      -0.22599736 
O       8.66847824       0.34840684       3.88728435      -3.67191428       0.02419081       2.16275830 
O       0.66493484      10.22708193       3.26039379       0.62760872      -0.04654437      -0.86720014 
O      10.29482433       2.35121109       9.19647776      -1.82084660       0.82400104      -1.69203134 
O      10.00505346       4.12130020       1.00836089       1.40352745       0.73699623      -0.67487760 
O       1.87825018       9.70765948       8.97856364      -1.07053868       1.18037599      -1.26785563 
O       3.38034845       2.98323519       2.82218518       0.92284078       0.51962718      -0.23859830 
O       2.90872136       5.77321248       4.85939270      -0.61334292      -0.43145038       0.60745029 
O       0.42937175       7.67497634       3.81715388       2.06304544      -2.08273520       1.88486060 
O       5.47384763       5.94346065       5.01559774       1.00456613      -1.70002718      -0.16471157 
O       4.90633105       7.95343738       7.10669885       2.62102178       1.01744794       2.27610037 
O       6.69731812       3.82360169       2.90543275       1.09812954      -0.45383232      -0.23955815 
O       1.64568594       2.20480370       1.61662194      -0.22288812       0.49483305      -0.04475359 
O       9.77009431       5.21844464       4.75113620      -0.85968628      -0.09305602       1.33621450 
O       2.94132084       2.51892680       5.19412660       1.95308324       2.50776298       0.69603747 
O       9.64813415       5.10258054       8.67935556       0.29312934      -1.26774219       2.03475073 
O       0.42685774       6.05381265       6.86199524      -1.66026952       0.05496189       1.04917711 
O       2.22887964       7.78596387       6.36389534      -1.01963768       1.58478379      -1.31829398 
O       5.32942999       5.37181790       8.30314839      -0.03936935      -0.91034717       0.96318026 
O       6.85379641       1.96081955       7.58155669      -0.87919521       1.33316122      -1.49285909 
O       5.01263254       0.74617724      10.39289496      -2.14003022       1.23101191       1.42692999 
O       5.28880679       2.97551480       5.21253737       0.75332199       1.56955736      -0.99884940 
O       9.67353456      10.51900344       8.87675626       1.91473644       0.13853363       0.36574882 
O       8.00470080       3.19056936       4.87422054       1.20532097      -0.72706845      -0.88419022 
O       4.88007158       5.12468736       2.56409513      -4.66133837       2.42648193       2.69263161 
O       2.48043014       0.50865142      10.78344033       0.86612518       0.85504929      -0.47468098 
O       7.92423365       9.54531777       0.14590669       0.72884948      -1.22983979       2.11682369 
O      10.35472768       9.25150530       5.59887134      -2.70407795       0.41339701       1.64815159 
O       1.61282829       4.17059742      10.31164203       0.32368649      -0.97246328       0.53091746 
O       7.83139949       6.61743255       2.94877547      -0.85731504      -2.18897270       0.66488152 
O       3.25240644       0.45122441       2.80136886      -0.25400949      -0.77703300       0.85675182 
O       5.63478734       0.81606930       2.38596513      -0.25068557       2.05373538      -1.71341472 
O       9.89252347       7.28987272       0.57708287       0.61151966       0.08634624       1.69202997 
O       0.04409019       7.83852463       9.01798440      -2.19875300      -0.73739712       0.11371727 
O       2.26905644       5.54869845       2.13751087      -0.97287245       0.01975805       0.64748759 
O       7.79375928       1.57277841       1.61297746       1.74020004      -0.28033768      -0.83657196 
O      10.84970692       9.74159712       0.46917128      -0.55502776      -0.99910282       0.71556958 
O       1.48408420       1.90164759       8.59343190       2.43825540      -0.39897206      -0.68722160 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.002295041646634418 0.018310285401213613 -0.0005914438506329252 0.018310285401213613 0.01640494665118509 0.005602105038530844 -0.0005914438506329252 0.005602105038530844 0.030421327884352065" pbc="T T T" energy=-939.14366709 free_energy=-939.1436688 config_type=amorph 
Hf       8.74576707       2.56123155       0.21433934       1.90127791      -0.20592595      -2.30187419 
Hf       3.59270922       7.09942107       1.47635252      -1.72600606      -0.71874783       0.16529106 
Hf       7.19019242       8.12446656       2.06922717       1.96540139       1.70722515      -1.06741666 
Hf       6.70575590       0.25354394       0.35060189      -0.97870251      -3.12008235       1.07492064 
Hf       3.84342986       4.62031866       9.51737784      -1.02836851       0.80766433      -2.28540272 
Hf       0.37257408       4.09847252       8.44828504       0.26839582      -2.07406611       1.23088188 
Hf       0.84523134       0.58636821       9.91407063      -0.78025172       0.26678376      -0.51678302 
Hf       4.14475591       7.45529969       5.41373236      -1.51920963       0.96257672       0.71698172 
Hf       4.85395356       9.99023236       3.43020988       0.03497868       1.42143781      -1.14490275 
Hf       0.96703267       4.01023353       1.41313082       0.79375714       0.02162392      -1.08763245 
Hf       0.17590412       8.33105381       1.94417197      -0.06493429      -1.37164979      -1.47205446 
Hf       2.08947070       1.64848113       3.62058673       0.19919517       1.87071047       2.69013861 
Hf       8.80544928       5.85920301      10.54633195       0.53614552       1.31641673       2.46690183 
Hf       8.94855731       6.40058192       7.49979156       0.89210218      -1.15125930      -1.46564204 
Hf       3.90239500       1.83986469       1.08688724       1.15233109      -0.56758656       2.09221445 
Hf      10.27477436       3.28130922       5.08566014      -0.99099771      -3.05364736       0.26590262 
Hf       9.89437252       0.41686880       2.51360881      -1.09913599       0.00996546      -0.82706374 
Hf       5.57197264       7.53266202       8.98319551       3.87027489      -2.16588878      -0.85717847 
Hf       6.87907990       1.77445195       3.64057775       0.18516875       0.75212974      -1.43239509 
Hf       4.07104403       4.28136239       4.32558394      -0.44240244      -0.13092184      -0.71235851 
Hf       5.74136404      10.27033042       6.69035951      -1.04950545       1.07640125       2.70080144 
Hf       1.62226942       7.60468227       8.26604515      -0.05357332      -0.70962102       1.25024921 
Hf       0.82227057       5.93980456       4.99123563       0.39233710      -1.02112896       1.76305137 
Hf       3.86916259      10.30909904       9.49326564       0.28274634       0.10393964      -1.53993061 
Hf       1.09269355       9.37259402       5.08771905      -1.13957041       1.02764299      -0.12521409 
Hf       6.14884013       4.93380113       1.10943254      -0.89408084      -1.81292980       1.04896632 
Hf       8.68778693       0.82296353       7.76414345       0.07522518       3.82128909      -0.57552092 
Hf       9.41704941       9.04182953       9.85010473      -2.68749787      -1.64117567       3.03147310 
Hf       7.35909571       5.00404733       4.41334927       1.75538516      -0.62181355      -1.18764549 
Hf       8.33934948       9.05250839       5.07593794       0.37653874       0.29155314      -2.66788715 
Hf       6.12448040       3.63725147       7.14349899      -2.68238967       0.27316407       0.33730537 
Hf       2.74358023       1.67562344       6.90014797      -0.79649803       2.05635874       0.46972775 
O       9.07113910       8.93972305       2.91994043      -0.07113423      -0.51988844       0.81756952 
O       3.94872822       0.27728594       7.62825175       0.94445373      -0.42241307      -0.62828779 
O       2.74063577       5.94263633       8.27394033      -0.97829280      -0.00037921       1.68778538 
O       5.36412302       0.83463444       4.60077167       2.04694903      -0.88157107       2.23168344 
O       3.99792350       8.36758177       9.41165228      -2.89815907       1.28863126       0.24865521 
O       1.82460173       7.78221300       0.82818501       0.01240665       1.57680621       1.04886266 
O       6.05216064       9.97889690       8.93747437      -1.01518917      -1.33105136      -0.97329895 
O       7.77568974      10.22888669       6.66406399      -0.87060538      -0.58377104      -0.83731160 
O       4.51685134       9.53241292       5.39954874      -1.17864003      -0.80256910       0.20184336 
O       4.57787636       3.55548406       0.25555454       0.90517228       0.97849806      -0.11771286 
O       3.72577197       8.21414272       3.47271840      -0.43767253      -1.01338924      -0.11645986 
O       7.69706405       4.59194621       6.85968229       1.81606024       2.50036557      -1.06061747 
O       5.39553645       9.27444241       1.52216344       0.23351153      -1.46677510       0.04906630 
O       3.93231959       3.14246948       7.92769846       0.73287520       0.62456898       0.18408291 
O       0.92330140       4.30696224       3.87150626      -0.67295271      -0.99396258      -1.94998936 
O       6.61344294       8.86434874       3.97280079      -0.48611817       0.39030217      -0.21868772 
O       7.91210265       7.41360290       8.96506506       0.65162482       0.06800547       0.33003295 
O       8.02547238       0.91189755       9.97267816       0.44482196       2.42458504      -1.72287171 
O       1.64399658       0.48227535       5.57110142       0.66024850      -1.48681485      -0.92656600 
O       7.08681542       6.61966027       0.45256517      -1.23074207       0.39481887       0.29202211 
O       0.78644110       3.75234096       6.59550248      -0.18132834      -0.64151282       0.11744019 
O       7.57718527       4.14900922      10.64986517      -0.37055470       0.39670761      -0.05406921 
O       9.74186484       1.66432317       6.40477149      -0.61734642       0.53416356      -0.05484056 
O       4.35899689       6.43448210      10.54551707       0.92515108      -1.94721467       1.29503338 
O      10.43690166       1.66588985       0.79149723       1.01264380      -0.29325329       0.25211790 
O       8.18722372       7.36371954       6.06026350      -1.01039054       0.77789500      -2.21791770 
O      10.83608273       1.77108985       3.74002507       0.60642631      -0.74998040      -1.15358369 
O       8.33451829       0.28446916       3.68463743      -1.06462306       0.74154159       2.09680550 
O       0.53507700       9.98885957       3.01782063       1.45166412       1.31527048       2.31699824 
O       9.94801218       2.54243973       9.09033076      -0.25966543       0.20514613       0.72784795 
O       9.98462809       4.57131315       0.68184905       0.80098847      -1.57586167       0.86531061 
O       1.86951493       9.62800417       8.90257312      -1.06285182       1.35971075       0.75639558 
O       4.19176570       2.85359459       2.93330005      -1.53124392       1.35892946      -0.46389994 
O       2.75466425       5.62777174       5.30617545       0.55243624       1.14805452      -0.74501606 
O       0.89503979       7.50285903       3.78924033      -0.55728007       1.30069801       0.46733267 
O       5.11213023       5.88098782       5.06117101       3.70600213      -1.00069047      -0.28728145 
O       5.49566718       7.92041569       7.04060890      -0.61191584       0.71869258      -0.34208565 
O       6.96883390       3.69773378       2.58944724      -2.34949106       2.38717422      -1.62165668 
O       1.91936833       2.06020640       1.71586809      -0.61144862       2.69620327      -0.52593015 
O       9.78826265       5.18060555       5.33389923      -2.44121120       0.67655191      -1.34377088 
O       2.92991916       2.93320158       5.18851973      -0.19970773      -2.20374121       0.71216822 
O       9.49124777       5.09841691       8.89133874       0.91732631      -1.44259358      -0.15693594 
O       0.15393801       6.13870593       7.08435689       1.30465633       2.24904609       1.00215551 
O       2.32233849       8.07083070       6.48286869      -1.22292787       1.34038687      -2.36436852 
O       5.60372620       5.33210164       8.49002559      -0.89542224      -0.42842056       0.76474134 
O       6.85851610       1.89409298       7.20860622       0.54794272      -1.86608840       0.99725565 
O       4.96655911       0.81671178      10.47883957       0.33974640       1.33737482       0.11600060 
O       5.94038917       3.56945033       5.01357531      -0.26734767      -0.46750583       0.85126320 
O       9.93081885      10.53263067       8.83331615       1.91698454       0.72743866      -1.39121946 
O       8.51836514       3.10416378       3.98114315       0.71317332       1.01753140       2.98442468 
O       5.14216197       5.97001097       2.41962463      -2.50388848       0.06497152      -0.32784844 
O       2.71613567       0.53305034      10.79063148      -2.90491974      -0.34888390      -0.63386568 
O       7.84948651       9.48165736       0.49811554      -0.04233248      -1.65135345      -0.53431465 
O      10.11941352       9.32035950       5.86261419       4.02440686      -0.09276940      -0.77869619 
O       1.73770783       3.91374196      10.34947754      -0.36480622       0.12640322      -1.77144373 
O       7.48399610       6.49177341       3.04408131       1.00362204      -2.70608999       2.20127373 
O       3.31016424       0.39190329       3.01272976       0.00800972      -2.49969139      -0.80470524 
O       5.60892271       0.97142516       2.14756169       0.36941148      -0.45244743      -1.27750769 
O       9.63031528       7.25333411       1.08457310      -0.54429763      -0.57412211      -1.86793959 
O      10.57757536       7.59923085       9.20716900       0.56548654      -0.11192014      -0.64489640 
O       2.22210267       5.45929359       1.51022719       1.17868670       0.08734128       1.47858753 
O       7.91896484       1.31356115       1.55436786       1.27923082       1.43198601       0.70504615 
O      10.38377615       9.93124952       0.45632831       2.30409947      -0.04053278       1.01097825 
O       1.38070308       1.79962145       8.32594936       0.67897355      -1.03561809       1.02093363 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.008149834063537972 -0.004911230989047272 0.001581661351876843 -0.004911230989047272 0.01057328581635486 0.01832034913563008 0.001581661351876843 0.01832034913563008 0.022364260646937036" pbc="T T T" energy=-942.39853572 free_energy=-942.39853976 config_type=amorph 
Hf       9.00254860       2.54247610       0.10114623      -1.86729015      -2.08975756       0.72915716 
Hf       3.37507281       7.32314497       1.07472225       1.77582349       2.48853739       0.26684855 
Hf       7.20582851       8.16182146       1.95319578      -0.49941190      -0.05360847      -0.15237399 
Hf       6.50037621       0.26601345       0.69098001       1.70737904       0.46810376      -0.64980939 
Hf       3.62694183       4.41684198       9.05780032      -1.07780668       2.02460658      -1.12092766 
Hf       0.51542286       4.09016708       8.82574123      -2.29590528      -1.74978605      -1.48091019 
Hf       0.40153473       0.27793906      10.13742542      -1.10218041      -1.68450421      -1.03037127 
Hf       4.37935214       7.20200262       6.06299974       0.95513881       0.46387116       0.46465026 
Hf       4.56595390       9.86668532       3.67277783       2.10746264       1.50378777      -3.56273680 
Hf       1.38976163       4.41213759       1.44302197      -1.28953384       0.35356760       2.04572627 
Hf      10.72396169       8.02284721       2.09344272       3.03163501       1.05232477      -1.15242688 
Hf       2.20747448       2.03235136       3.74535837      -0.73811880       0.64523733      -2.46540109 
Hf       8.49185803       5.60114890      10.72970753       0.23316328      -0.26243094      -3.06514648 
Hf       9.49499169       6.55306181       7.15147646      -1.17618135      -0.77512478       0.01052132 
Hf       3.60344638       1.59237762       0.82487208       1.08384199      -0.07378326       1.67251426 
Hf       9.89930489       3.30760822       5.39063828       1.31821837       0.46390530       1.27420879 
Hf       9.91641365       0.57513774       2.77896741       1.48054290      -0.24830230       1.01427535 
Hf       5.65392298       7.07767111       9.35479273       1.75469670       0.08175718      -0.78733804 
Hf       6.93770382       1.84040403       3.62547112      -0.70766340      -0.49820398      -0.33325071 
Hf       4.11586279       4.58220251       3.70465515       0.01525619       0.02829492       0.29004036 
Hf       5.82992818      10.37516348       6.63805486      -1.15784003       1.77085302       2.50217871 
Hf       1.67835132       7.46621967       8.08970937      -1.55699132       1.83955657       0.12301908 
Hf       1.09697791       6.16052244       4.39901757      -1.13095974      -1.19901934       0.75207566 
Hf       3.57853450       9.96701581       9.18445575       1.80355201       0.67099474       0.45056917 
Hf       1.65848765       9.67075751       5.16046656      -2.98895592      -0.31178585      -0.74352860 
Hf       5.49288415       4.26454534       0.76720221       1.63027356      -1.10488125       2.46558027 
Hf       8.46172880       0.96882093       8.08982836      -1.45471564      -0.40971859       0.72709297 
Hf       9.16133398       8.65023076       9.95499130      -0.16544456       0.43354363      -1.55701636 
Hf       7.40575907       5.16323591       4.39762633      -1.46113260      -1.89286445       2.17337034 
Hf       8.87853833       9.56554828       5.12228235       3.10396425       1.26513512       1.00218899 
Hf       6.48383621       3.31439041       7.22864446       4.40991231       1.00039359      -0.15370423 
Hf       3.24816421       2.18827858       6.78659422       0.57848484      -2.32494988      -0.66817091 
O       9.20743748       9.15467642       2.86638360      -1.82535086       0.71859733       0.39449665 
O       3.96815807       0.16800047       7.41825333      -0.72216796       1.69619589       0.38616998 
O       1.83998801       5.45810938       8.27597655       1.32988435       1.48837732       0.56711446 
O       5.69890480       0.35566182       4.74654765      -0.24388129       1.80672122       1.39340876 
O       3.80207146       8.06021861       9.89213893      -1.42801885      -0.70525205       1.49430885 
O       1.73132190       8.24823811       1.25378840      -0.09595328      -0.37617176       0.10118603 
O       5.51089952       9.00231074       8.49590463      -0.01227154       0.06338859      -1.62224375 
O       7.75918101      10.35974212       6.75719541       1.59900319      -0.30816377      -0.85666158 
O       5.19708963       8.93586568       5.45524970       0.27847415      -1.44393860      -1.04605195 
O       4.38470411       3.15017663      10.32154727      -0.22039116      -0.68381540       1.49989580 
O       2.97443112       8.84927055       3.86089482      -0.75463276      -0.21194212       1.01358341 
O       8.15998391       4.94134358       6.47362059      -0.40333993       1.03237049      -0.93569564 
O       4.95372016       8.39643408       2.06142253       0.79499127      -0.89629247       0.15071408 
O       4.61862181       3.39680974       7.62894287      -2.14352394       0.46736873      -0.38924780 
O       1.80331837       4.25607912       3.57569676      -0.24722013       0.04918972       0.05223461 
O       6.52259712      10.49393567       2.63648330      -0.09088408      -2.03279637      -0.99070695 
O       7.78450163       7.31702600       9.03593691       0.22374183      -0.29234175       0.37022909 
O       7.60554024       1.22133884      10.01389955       0.54897657       0.39845117       0.03315920 
O       2.37624044       0.70052699       5.29742500       0.70648307       1.16818351       0.53790509 
O       6.87602894       6.62875932       0.55193465      -1.18028519       0.28611569       0.58058052 
O       0.41779279       3.55616855       6.80849281      -0.27414339       0.45460539       0.72852893 
O       7.41864840       3.88009755       0.42957661       0.71734996       1.00683716      -0.51766418 
O       8.72241547       2.48196121       6.87467091      -0.76595753      -0.47547188      -0.17864825 
O       4.47878187       5.92685140      10.81737787       0.70036275      -1.78351051      -2.57385889 
O      10.30169261       1.21224143       0.87889280       1.49154328      -0.46465348      -0.41753814 
O       8.58946379       7.91320207       5.98911329      -0.02569070      -2.51544526       1.18980062 
O       0.05176900       2.07910592       3.94873897       0.13648243       0.12097483      -0.10929233 
O       8.43670651       0.49915395       4.22962216       0.02767313       1.36621045      -0.41537649 
O       0.75292490      10.40553632       3.41102376      -1.03503368       1.34513280      -1.47026761 
O      10.07171262       2.04155126       9.15431284       1.36768191       0.05059480       1.22780267 
O      10.06201528       4.14652583       0.41451568       1.01012028       1.44324447       0.98350472 
O       1.70471394       9.62941735       8.87137367      -1.80377166      -0.91977240      -0.16428037 
O       4.07858465       3.10880629       2.36252624      -0.80639120       1.85165057       1.16633516 
O       3.04125713       6.28385724       5.19429803      -3.12190777      -2.09093882      -2.49872752 
O       0.39346107       7.98492734       4.12414956       0.21990473      -0.53104139      -0.49191543 
O       5.45960679       5.87262669       4.92031850       0.78782667      -0.21485906      -0.03082139 
O       4.33667274       6.37216864       7.86467239       0.40565278      -0.77832215       1.16560590 
O       6.18359884       4.33186033       2.83098622      -0.79091336       0.64472803      -0.03110365 
O       1.91400431       2.54319881       1.61560752      -0.81131394      -2.37444861       0.26653431 
O      10.17523075       5.29501402       4.84665330       0.13479148      -0.16784754       0.03537400 
O       3.28902929       3.27132973       5.05611314       0.47591480      -1.84224705       1.24614585 
O       9.64826041       5.13434735       8.97518308      -0.15684502       0.04550166      -0.55096124 
O       0.64098570       6.92577843       6.53686824      -1.30831586      -0.44710099      -0.59639170 
O       2.71996189       8.58091723       6.69712129       0.28021009      -1.07126584       0.18856487 
O       6.63004395       4.87116957       8.89912080      -1.80739855       0.34969061       0.46778306 
O       6.25202399       1.33217373       7.73382662       1.78049075       0.96829770      -0.45464984 
O       4.78895847      10.63659305      10.79404070      -1.13430042       0.84123231      -0.55201726 
O       6.10401214       3.14464933       5.31776646      -0.27819996      -0.14540533      -0.58438727 
O       9.44427999      10.30708713       8.91214181       1.46497700       0.37320302       0.03179642 
O       8.29299161       3.26649137       4.27171782      -0.82962876       0.12442733      -2.30682723 
O       3.20384571       5.49924891       1.90279945       0.53345693       0.46187360       1.23741546 
O       2.31044469       0.47031598      10.58147106       0.48867782       0.66438688      -0.68936760 
O       7.64846988       9.30253075       0.30797080      -1.14096860       0.32709448       1.04802968 
O      10.61062181      10.16907595       5.91397423      -0.73740797      -1.02187130      -0.49482770 
O       1.75904927       4.35653727      10.44087823       1.81237709      -0.02538352      -1.85939548 
O       7.66124163       6.64239697       3.29822170       0.75627629       3.12204252      -2.15246438 
O       3.71783108       0.64103934       2.56870507      -1.60409303      -1.11816196       2.01333701 
O       5.65307250       1.87259933       1.43681625       1.12843197       0.47297032      -0.97200817 
O       9.43054214       7.30502256       0.63019285      -0.38600170      -1.71669207       1.54591852 
O      10.39556334       7.49873991       8.83381706       2.16043139       0.28801725      -1.60858141 
O       0.62931609       6.09228803       2.15074380      -1.53204066       1.23308623       1.85788486 
O       8.17220731       1.76001679       1.87911728       0.26156040      -0.76134324       1.01896063 
O      10.64404149       9.55011476       0.22367624      -0.13957361      -0.23151118       1.15082465 
O       2.31305695       2.98390210       8.24555116       0.01263927      -0.89045257       1.39569184 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.01079278074309047 -0.00973860118006785 0.007247690485086375 -0.00973860118006785 0.024144547509802234 0.0014234916864915971 0.007247690485086375 0.0014234916864915971 0.022237224696369757" pbc="T T T" energy=-940.36735198 free_energy=-940.36735406 config_type=amorph 
Hf       9.16014054       2.51930916       0.30049370      -1.69690399       1.67117768       0.13767553 
Hf       3.57488796       7.39823192       1.00539211      -3.52566814      -1.82830503      -1.63065330 
Hf       6.98552697       7.71496869       1.96862983      -0.69008224       1.61089237      -1.03994953 
Hf       7.01368957       0.05344598       0.72641366      -1.01367355       0.11928824       0.54966158 
Hf       3.44120141       4.46833023       9.24981106       2.71211061      -1.92624936      -2.58023216 
Hf       0.52058311       3.61565925       8.59185990      -1.58530430       0.99319946       0.54901327 
Hf       0.63950077       0.18726216      10.33019360       0.99554756      -1.18344943      -1.02082578 
Hf       4.17190377       7.70947906       5.72770510       0.55781089      -2.46689508       3.21246650 
Hf       4.57858756       9.70940681       3.62348777       3.41762581       3.43179207      -3.07882992 
Hf       1.19878779       4.22688679       1.36372601      -0.99463947      -1.28335269       0.17333140 
Hf       0.05950991       8.22023249       1.86330108       2.88983918      -0.86274054      -1.24486630 
Hf       1.65975991       1.49474678       3.49373795       1.95581173      -1.67987279       2.00359724 
Hf       8.73542400       5.65386696      10.47074007      -0.71334617      -1.04965824       0.67012402 
Hf       9.40433618       6.14467302       7.02860762       0.88936163       1.72516144       2.09970969 
Hf       3.99559003       1.54645694       1.03848165       1.25216189       0.81624474       1.25015760 
Hf       9.94864663       3.35520653       5.43717787      -0.19330193       0.10534637      -3.58129124 
Hf       9.64882125       0.37878891       3.09672642       2.25047554       4.29696340      -0.88970414 
Hf       5.42753981       7.14098997       9.18149837       1.83859614      -0.18053737      -1.15466469 
Hf       6.72271191       2.06945580       3.72789895      -1.14638453       2.26955166      -0.33036680 
Hf       4.24104186       4.57887298       4.06020884       1.09119062      -0.30679104      -0.03440000 
Hf       5.86396136      10.67853150       6.66577148       1.31586866       1.67580271       3.31550957 
Hf       1.72279021       7.36049509       8.13739985       1.33805175       3.39290391       0.01941977 
Hf       1.02073291       5.80901047       4.82220087      -1.26305944       0.99114524      -1.13669727 
Hf       3.87985904      10.24481395       9.37473424      -0.51506754      -0.52765093      -1.92260357 
Hf       1.30882603       9.32240039       5.15690763       0.45064498       0.99972497      -0.00874772 
Hf       5.52238849       4.65207862       0.95560472       1.93203353       0.93544631       0.64170273 
Hf       8.69458725       1.10361266       8.13946311      -1.96777760      -1.04081120      -1.23006683 
Hf       9.30446036       8.80329613       9.52737351      -1.17426834      -3.03247217      -0.55319569 
Hf       7.54566447       5.82735891       4.46968923      -0.27311684      -2.43232780      -1.15422624 
Hf       8.46637402       9.34875562       5.06466980      -2.41486354      -2.55313377       1.98400039 
Hf       6.15970626       3.85557791       7.09409993       0.50304587      -2.42084005       2.67683810 
Hf       3.02505325       1.92715766       6.46206899       1.55994058      -1.21445240       2.04777203 
O       9.63117011       9.39064641       2.81863482      -1.88998918      -1.69387681      -0.02798147 
O       4.22356996       0.86699574       7.89798764       0.22018899      -2.05122851      -1.40536096 
O       1.85580346       5.45531636       8.56963160      -1.28904110      -0.83554737      -0.61537241 
O       5.65752035       0.88711280       4.78062946      -2.09478389      -2.28570120       1.95503370 
O       4.15875530       8.41698756      10.07286306       0.27684378      -1.31871704       2.47753902 
O       2.13026251       8.61757406       1.37014592      -1.43838716      -0.56383621       0.28491110 
O       5.49337855       9.13682976       8.04814937      -0.34435246       0.72776560      -0.07437015 
O       7.85516320      10.26822277       7.24694840      -1.00979950       0.79149305      -2.15658698 
O       5.91057206       9.15317499       5.29157429      -2.32398378      -0.84387007      -0.56262551 
O       4.33938824       3.36099221      10.74829644       0.53147290      -1.85607470       1.53301914 
O       3.13995471       8.62032267       4.29220518       0.16761478      -0.28707112      -0.77534080 
O       7.79919756       5.06047523       6.76619055      -0.62001553      -0.21256045      -2.33015894 
O       4.82649369       8.24938562       2.12137972       2.54515262       1.48273778       2.18234036 
O       4.24457398       3.46889403       7.42040311      -2.04761045       0.64771945       1.24561497 
O       0.61254670       4.25982706       3.50473925       1.34710598       0.59813199      -0.06418479 
O       6.78205789       9.73963060       2.71165634      -0.70500934      -0.06818633      -0.93636420 
O       8.14144190       7.00599002       9.25083427      -1.10296092       2.11835627      -1.49920270 
O       7.91864523       1.23058271       9.91507484      -1.54381052      -0.82845725       3.09476986 
O       2.10335197       0.43155203       5.45257936      -0.07804038      -0.30808048      -0.31046084 
O       6.29151683       6.58507842       0.40785976      -0.61810271       0.00067305      -0.84682056 
O       0.22290197       4.57830899       6.82167243      -0.08329155       0.54488885      -2.62673270 
O       7.39232063       4.08290038      10.68610979       1.08052553      -0.34128362       1.95154409 
O       9.61348509       2.38726833       7.02504847       0.43879588       0.52113252       0.44589106 
O       4.08647939       5.92597171      10.23344680      -0.26446088       1.96212830       3.27009733 
O      10.79086891       1.59671875       1.23847322       1.80617660      -1.89952860       0.47385543 
O       8.42704403       7.83197683       6.61839312       0.61947979      -0.06147304      -2.21059037 
O      10.71256457       1.73631724       4.35682008      -0.73750954       0.66953973       0.03140936 
O       8.07869027       0.69674811       4.22587053       2.06245417      -2.71037723       1.24051734 
O       1.00104142      10.37383335       3.31276825      -0.78658380       1.05245549      -0.21574029 
O      10.23304522       1.92806796       9.68101557       3.07643172       0.29120662      -2.72823761 
O      10.14679424       4.25561371       0.62320298       0.04467496       0.28036187      -0.06684328 
O       1.97654228       9.51365193       9.29490925      -1.16203206       0.73951324      -0.85145782 
O       5.38078862       3.51000675       2.74890310      -0.44778580       1.23826185      -0.79198945 
O       3.04715518       5.94694414       5.01712523      -0.94591356       0.93484645       0.78802815 
O       0.61797022       7.46761971       3.63122792       0.73821081      -0.75338458       1.49573695 
O       5.50407858       6.31184016       4.59883566       0.55256648      -0.43802340       1.53975528 
O       3.87505922       7.04030535       7.82671562       0.53365725      -1.02113125      -1.52900609 
O       7.03994535       5.59420354       2.49365091       0.63215164       0.38917982       0.82303449 
O       2.53423970       2.56478419       2.06297097      -0.35089513       1.38171591      -1.16144094 
O       9.78976224       5.62817886       4.91204139      -1.80887626      -0.22796913       1.73394286 
O       2.85179537       3.09253868       4.96337027      -0.22014786       1.05803203      -2.79473860 
O       9.51466462       4.95504138       8.76764243       1.86970145      -1.39694859       0.55563421 
O       0.74814940       7.34193603       6.42267516      -0.16993282      -0.79497640      -1.67371630 
O       2.82444895       8.92819978       6.63243137      -1.31211660      -0.30357120      -0.08171909 
O       5.79086178       5.09549112       8.79458673      -0.36016168       0.37775543      -1.67910026 
O       6.81011637       1.80971071       7.36558857      -0.00782751       1.16856275      -0.27496069 
O       5.14234479       0.12287807      10.80362047       0.97443069       0.19273450       0.27173422 
O       5.61498772       3.45303452       5.25512275       0.48977793       1.39526132      -1.50891678 
O       9.95155255      10.48395682       8.65579312       1.56548120      -0.65010107       1.20631084 
O       8.31220835       3.37999834       4.22820997      -0.33411619       0.93210662       0.82392507 
O       4.06045897       5.67050499       2.23714307       0.09461822      -0.95154732      -0.50714784 
O       2.73334029       0.38675162      10.80032784      -1.64344562       1.99820833       0.52074402 
O       7.43358838       8.95383437       0.24443567       1.08253746       1.24613219      -0.13226329 
O      10.21915233       9.80221731       5.52856706       0.72805340       0.21415625      -0.51788993 
O       1.85030536       3.68636880      10.22767338      -1.45633050      -1.40337769       0.03794503 
O       8.01043274       7.54257334       3.78886904       0.57855189       2.04969297       0.52884603 
O       3.52220127       0.49133607       3.18784202       0.70889605      -0.51032022      -1.97486852 
O       5.99945126       1.52205868       1.87105143      -0.74568671      -1.98097907      -1.08489826 
O       9.65723786       7.16899928       0.66710199      -0.75656980      -0.40289654       1.19633415 
O      10.77841123       7.62759288       8.86412238      -1.37385179      -0.08993228      -0.02303849 
O       1.60499401       5.94308101       0.88878544       0.80796655       1.83807203       0.65677009 
O       8.46085226       1.37742001       1.67334057      -1.44778940      -2.24699821       1.83369070 
O      10.57118216       9.35610538       0.04436572       0.94533822       2.85961559       1.75142182 
O       1.52465573       2.28087717       7.57536943      -0.63743262       0.55158595       1.23269211 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.009003001580935316 -0.024053285617635197 -0.00195778567685863 -0.024053285617635197 0.020311660548230116 -0.004545638418043754 -0.00195778567685863 -0.004545638418043754 0.029328438843738244" pbc="T T T" energy=-939.9458986 free_energy=-939.94592059 config_type=amorph 
Hf       9.04522876       2.41073219       0.56555787       1.98587769       0.95518544      -1.81348002 
Hf       3.66900904       7.22914863       1.18969852      -1.74707153      -0.33491108      -1.46548988 
Hf       7.01286850       8.03440077       1.65118935       0.29092571       0.46427266       0.88182241 
Hf       6.65850315       0.43980048       0.45872182       0.10827674      -0.07997558       1.04242450 
Hf       3.77834911       4.59297496       8.91017876      -1.06376953       1.11642177       0.23573252 
Hf       0.59492118       3.66137626       8.90848919      -1.46724516       1.38351324      -0.68294371 
Hf       0.43324595       0.07040514      10.23779075       2.35492449       2.43496524      -1.01395729 
Hf       4.41898948       7.39787854       5.63646161      -0.94866037       1.06965076      -1.46572710 
Hf       4.84809894      10.00421948       3.26688763      -1.32982662       0.21173667       3.11473184 
Hf       1.06237455       4.58560294       1.64400016      -0.13629135       0.53140332       0.15967003 
Hf       0.01880843       8.15153972       2.09360546       1.60639705      -1.12127222      -0.68176546 
Hf       2.11961155       2.06113310       3.62660181       1.34639652      -1.28507404       0.32500142 
Hf       8.50974910       5.52105847      10.55430736       0.57927788       2.77898962      -0.39933223 
Hf       9.25537907       6.17574719       7.16176156       2.51392547       2.40141655       2.75858443 
Hf       3.50632352       1.76158640       0.88123831       0.09665992      -0.33913341       2.79659658 
Hf      10.04696098       3.31419695       5.31963625       1.39293708      -0.09128049      -0.87594396 
Hf      10.22007523       0.41044542       3.03601536      -2.72335966      -0.79135270      -2.16516310 
Hf       5.75427703       6.97743366       9.22053373       1.50073161       2.45458171       0.40521654 
Hf       7.09080731       1.95468266       3.68363951      -0.71382712      -1.09381831       0.44722390 
Hf       4.28848373       4.55484817       4.18864298       0.08687919      -1.75553130      -1.22398430 
Hf       5.78587653      10.50346212       6.61643072      -0.95400963      -0.50038182       0.61214313 
Hf       1.30986151       7.68998331       8.07350256       0.10931668      -1.22712327       2.58547963 
Hf       0.70706306       6.03511148       4.69381493       1.80789350       2.82296314      -0.57520260 
Hf       3.77964905       9.96613177       9.36772342       2.45704495      -0.05124635      -0.07027285 
Hf       1.46980896       9.59849452       5.03629724       0.40993123       0.43580545       1.55504023 
Hf       5.49699741       4.13241158       0.85610931       2.28252389       0.84538766       0.91068895 
Hf       8.46029826       0.81179179       7.77087168       2.06041340       0.42623513       1.40065959 
Hf       9.16842829       8.84612655       9.96991370       0.84458667      -5.48257423      -1.86909212 
Hf       7.57124228       5.40352011       4.38818216      -0.73995911       2.06373369      -0.32935289 
Hf       8.51050590       9.28698118       5.06817619       0.83311417      -1.99057585       0.23711672 
Hf       6.44764229       3.62880131       7.09456187       2.30776135      -0.06734909       1.25475469 
Hf       3.07112114       1.94372273       6.79658978       0.55489695       0.47314944       0.00301463 
O       9.67334479       9.33214756       3.40221382      -0.50151594       0.20873583      -3.24585799 
O       3.84140569       0.31700915       7.59745540       1.55217115       0.18913922       0.29206183 
O       2.39713340       6.08791802       8.46935138       1.29929950      -1.58060610       0.22680051 
O       5.47498092       0.62393763       4.81270578       0.50954667       0.40477107      -1.27756097 
O       4.79548770       8.34066277      10.52830876      -1.70107917       0.43068335      -0.35816793 
O       2.06567670       8.28110672       1.16268756      -0.94242756      -0.38763020       0.94935283 
O       5.37895965       9.14130149       8.29798739      -0.04961084       1.47376651      -1.06735146 
O       7.77696970       9.99436320       6.83193278      -0.96485046       1.86144027       1.45653634 
O       5.88915279       9.06201509       5.22100251      -1.22675065      -1.00125310      -0.37440435 
O       4.15904147       3.14748404      10.54875650       0.58562836       2.01514900      -1.35772405 
O       3.23779312       8.86254918       4.14351318       2.09305822       0.72838076       0.73916864 
O       7.80335674       5.07790979       6.41421403      -1.95439847      -2.48303135      -0.07943752 
O       5.10811305       7.89288070       2.29567971       0.34285346       1.92851760       1.43356939 
O       4.58069185       3.69685594       7.16465739      -2.55482014       0.21616868       2.62677128 
O       0.76478982       4.23611068       3.86392276       2.35329714      -3.04379102      -0.26679751 
O       6.76584500      10.14282103       2.38083300      -2.71712949      -0.11288620      -0.62491114 
O       8.03787046       7.17194005       9.05168081      -1.99979820       0.24851152      -0.52366541 
O       7.87472527       1.31212973       9.86552369      -0.62748756      -0.56818778       0.85586500 
O       2.18268321       0.74173818       5.49198872      -1.03358640       0.48209421       0.07048195 
O       6.71675719       6.60673349       0.32342244       0.34769315      -1.30199474       0.33982054 
O       0.39126971       4.11050420       6.91280888      -0.46747937      -0.51520569      -1.13511338 
O       7.50287314       3.97247271       0.39748824      -1.87016869      -1.76552560      -0.34332178 
O       9.13867534       2.37798234       6.79701785      -0.66964291      -0.86440942       0.22478942 
O       4.32796474       5.76823581      10.59816923       0.09712850      -0.43703029      -0.35993923 
O      10.70679528       1.07992592       1.03893936      -2.67498132      -0.03867708       0.73896000 
O       8.46821352       7.35241861       5.86350506      -0.78360366       1.79973755      -0.77714716 
O      10.82273027       1.77371839       4.16633022       0.54214914       3.30586035       2.12098046 
O       8.29186690       0.50981012       4.42020203      -0.46731879       1.43619827      -0.47901123 
O       1.19048517      10.80971968       3.12754828       0.47713958      -1.30985990       0.85342186 
O      10.39997113       2.07833620       9.48439436       0.28625254      -0.37781588       0.52214097 
O       9.61218233       4.10405193       1.37686861       2.53896298       0.30646480      -1.34878558 
O       1.96208203       9.41089006       9.18600973      -1.56335802       0.45220144       1.20200608 
O       3.66697445       3.16317691       2.71992204       1.48540600       1.51253752       0.48179192 
O       3.07500587       5.87792959       5.18731749      -1.05864096       0.39321444      -0.55310243 
O       0.72423913       8.09264895       4.00434341       0.94617707      -1.61985292       0.80881410 
O       5.60623174       6.11461436       4.73028808       0.33421139       0.11717155       0.57673365 
O       4.82137850       6.84921687       7.39786302       0.48458067      -1.28674664       1.66969179 
O       5.95153019       4.60388690       2.77597703       0.32373575       0.24791381      -0.07167929 
O       1.79270063       2.67209564       1.60334851      -2.20800573       0.57642056       0.70963915 
O       9.76515532       5.28014634       4.84439236      -1.89581260       1.30804735       1.78928788 
O       3.55377776       2.81130830       5.09675882      -1.91538784       0.57325898      -0.48166030 
O       9.42401529       4.93720774       8.88362594       0.46590027      -1.94186085       0.71249190 
O       0.23874184       7.01593618       6.60923068      -0.72224437      -2.26605593      -2.88289622 
O       2.24076269       8.80897238       6.81246830       1.29904054       0.86964917      -3.54728791 
O       6.27666750       4.98985101       9.07820779      -1.25109327      -1.44758673      -1.67026720 
O       6.64158253       1.55080155       7.31369809      -0.57553544      -0.07363791       0.20106357 
O       4.78602041       0.49081311      10.64144649       0.55982186      -1.77188157      -0.44919163 
O       5.93711837       3.56907047       5.24027603       2.05776788      -0.36889439      -2.66970042 
O       9.85827946      10.28112675       8.72956124      -0.26280246       0.92681114       1.11910765 
O       8.49681787       3.48937738       3.91428673      -2.28564970      -1.11666960       0.51257071 
O       2.81538975       5.69210275       2.16169624      -0.17668358      -0.95651708      -0.01658498 
O       2.20623924       0.98180948      10.55050774      -0.68115124      -2.07879833      -1.71575875 
O       7.55837098       9.43405482       0.12420406      -0.18559072       0.75645901      -0.37929662 
O      10.26079007       9.74668397       5.85499454       0.88149703       0.53936718      -0.74717471 
O       1.22167756       4.68886877      10.44812214      -0.28111380      -0.32401428       1.41056431 
O       7.52823936       7.43268719       3.42609956       1.41377113      -1.58274131      -0.30398033 
O       3.49200300       0.63189871       2.76307869       1.56062597      -0.99194983      -0.87958005 
O       5.75497118       2.08436159       1.56020359       0.49523709      -0.28624425      -0.11187361 
O       9.37721796       7.21062681       0.63091306      -0.80680761       0.60687399       1.27779570 
O      10.45309392       7.32008142       9.03910263      -0.27207615       1.92311262      -0.12105691 
O       0.10783419       6.25549282       2.65184321       0.41594112      -0.72419227      -1.09005826 
O       8.11542603       1.38445656       1.95138363       0.61028617       0.15241898      -0.20161244 
O      10.73766329       9.33925826       0.33874305      -1.31142184       0.27663405       0.39974156 
O       2.52728848       3.02515606       8.51541612      -1.35620173      -0.40721662      -0.93114851 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006644277685617818 0.0013033804718466657 -0.0017429991698453325 0.0013033804718466657 0.0073172003996327456 -0.004243871981233194 -0.0017429991698453325 -0.004243871981233194 0.00979769531411702" pbc="T T T" energy=-931.51012526 free_energy=-931.51012996 config_type=amorph 
Hf       8.91292987       2.36917577      10.68867254      -1.77028271      -1.21515708       6.37275142 
Hf       3.33679468       7.28457622       1.91725210       3.06903327       1.21109812      -3.54718345 
Hf       7.69048053       7.74129743       2.13144965      -0.87732000       2.52023030       0.74869739 
Hf       6.22902598      10.70992637       0.06046723       0.94147978      -0.42005853       0.50636791 
Hf       2.83441031       5.67174381       9.30546587       0.07094466      -0.16504175       2.13562241 
Hf       0.23814886       3.66701516       8.05968806      -0.27045602       0.65471229       0.57448615 
Hf       0.80764629       0.52183843       9.63480275       0.73410216      -0.84743379      -0.45113677 
Hf       4.46349079       7.58482869       5.32754631      -2.66078095       4.02254666       0.65735306 
Hf       4.84792013      10.38778476       3.28536853       0.56521662      -1.25019066       0.00509587 
Hf       0.96032322       4.33481033       1.55133253       0.72379360      -0.54998594       1.04086112 
Hf       0.40735016       7.80350634       2.30250739      -1.68469245       1.77729019      -1.58406711 
Hf       2.64441506       1.74138358       3.53936757      -3.38714320       2.43282531       0.29395738 
Hf       8.99452836       5.52104632      10.82138278      -0.70976835       0.40408891      -0.86005914 
Hf       8.87215587       6.53615270       7.53452541       0.16208483      -1.12335837      -0.15913585 
Hf       3.97217177       2.29291829       0.49015945      -0.20407669      -2.44783699       1.62217666 
Hf      10.29918424       2.58162501       5.08965409      -2.21891429       0.79391202      -4.01659915 
Hf      10.22740697       0.33703057       2.16435865      -0.04509761      -2.06555401       0.59182533 
Hf       5.70468332       7.31686956       9.06247659       1.23709288       2.44223623       3.73511533 
Hf       7.14653301       1.69624109       3.19912797       1.82678398      -0.47811404       1.15508567 
Hf       4.91231541       4.55529415       4.17196196      -3.29642017      -2.15551589      -0.07450711 
Hf       5.08431504       9.98842445       7.41825767      -2.71877559       0.69547735      -2.56957917 
Hf       1.10521072       8.23970012       7.90160921      -3.34702849       1.57226938      -0.10460292 
Hf       1.15825393       5.64622332       5.21895880      -2.29997247      -1.06119383       0.27684081 
Hf       3.08498938       9.39326833      10.31775612      -0.97323584      -1.55883656       2.86729124 
Hf       1.38910286       9.77423493       4.88799140      -0.93545927       0.39158435       0.29172715 
Hf       6.17951109       4.87831719       1.25527236      -1.04940960      -1.61517544      -1.41966122 
Hf       8.42202252       0.91784890       7.83606653      -0.52080437       1.32687521      -0.67730270 
Hf       9.06962920       9.16494090       9.92526473       1.70230863      -0.10886855       1.30393338 
Hf       7.80540110       5.04813122       4.72180785       1.84614538      -0.78618868       3.58006844 
Hf       8.58780526       9.12433007       4.98316685      -0.33534605       0.80766060      -2.47474939 
Hf       5.98752294       3.93526644       7.74167132       2.15594266       0.16841451      -2.25076607 
Hf       2.80065191       2.13713328       6.65106589       1.66933678       1.55316933       1.18090364 
O       9.33230465       8.36560418       3.00381072      -1.88479186       0.03234236       0.98275050 
O       3.68514865       0.53643394       7.19795190       2.55886669      -0.39404260      -0.06239820 
O       1.68816884       5.34394756       7.80336434       1.60459007      -1.86846702      -1.15421358 
O       5.85956594       0.95565064       4.37019132      -0.00279348      -0.65230417      -0.14529165 
O       2.24482677       7.64450123       9.29706359      -0.80276740      -1.37578273      -0.92941397 
O       1.76814234       8.78444211       1.00620601       2.09813125      -1.42931745       0.69376988 
O       5.04165833       9.34913592       9.82266646       1.49459064       0.98909523      -2.81176798 
O       6.92440717      10.35755565       7.30993441       2.76904644       1.55457172      -0.12476664 
O       5.19015828       9.56589471       5.33768354      -1.71500067      -1.53139457       1.06233260 
O       4.54753858       4.12362281       0.31351775      -0.44341638       0.95592454      -1.45458298 
O       3.38195085       8.14065090       3.65098064       0.32049839      -0.06399042       1.93022680 
O       7.36995891       5.36543697       6.81521040      -0.09015546      -1.15719694       0.95913520 
O       4.57443153       9.23731180       1.51974638      -0.22040240       0.08889377      -0.31697947 
O       4.23743038       3.21345717       7.70152265      -0.54641012       0.26025776       0.04699072 
O       0.91468937       4.34044912       3.72176271      -0.85150091       0.44854320      -1.94846498 
O       6.72958377       8.75370362       3.55939007       1.25289475      -0.29221651      -1.51426875 
O       7.49391838       7.62736414       8.41993854      -0.77616879       1.58395599       0.64963099 
O       8.08890991       0.09649971       9.65929601      -1.44419523       1.68850133       0.11004575 
O       1.69025033       0.93803815       5.63649450      -2.33085232      -1.80875086      -2.00488243 
O       6.74811580       6.29579772      10.76365646       1.92250215       0.96041068       1.06411651 
O       0.97724406       3.34099143       6.05137789       1.91857167       1.94122974       2.69199566 
O       7.70830755       3.92275687      10.85130074      -1.66067909       0.20489848       1.12864839 
O       9.84224548       2.22670826       6.92131256      -0.48967794      -0.90413700       0.12496988 
O       3.85851662       7.17584161      10.68984492       1.63962060      -1.17536799       0.71819709 
O       0.01566367       1.03199888       0.44897682       0.49274853       3.41309697      -0.33289971 
O       8.34403020       7.31968592       5.69976408       0.60161133       0.58899982      -0.68716126 
O       0.41957801       1.64877262       3.10825891       0.70072977       1.23195684       2.07821644 
O       8.83366529       0.50909121       4.15556820       0.01704782      -0.56038276      -0.27931540 
O       0.42241781       9.70029159       3.10365039       0.76767656       0.56947037       0.81138302 
O       9.80416538       1.87118562       9.20782266       3.29385345      -0.97618065      -3.92056538 
O      10.01759441       3.71907511       0.88696722       0.21897880       0.85635233      -0.44577364 
O       2.35234276      10.01687333       8.54107796      -2.14836002      -0.40964239       2.50250377 
O       4.06425468       1.23811029       2.40671924       0.28100631       0.98259035      -2.51033461 
O       3.05840150       5.32675195       4.86210495       1.90841816       1.95237619       0.61219606 
O       0.66788517       7.39221055       4.25395279       1.23336185      -1.07812499       0.51685148 
O       5.64913989       6.36674068       4.71984208       2.52632614      -2.67814391      -0.08837272 
O       4.86952788       7.92063759       7.31584581      -0.53881951       0.43781984       0.38152940 
O       5.97761455       3.25079872       2.45623554       0.08081167       1.25226097       1.23823004 
O       2.40684832       2.93332231       1.87214358      -0.46596863       1.63429991      -1.74500103 
O       9.72796891       4.65774141       5.38806716       0.44626786       0.61439643       0.04159759 
O       3.74500466       2.83044763       4.83501463      -0.95752228      -0.35204366       0.29989411 
O       9.31869240       4.84105392       9.09418347       2.15945247      -1.15841096      -3.44406390 
O      10.81688694       6.49304436       7.10500699       0.36104330       2.31098824      -1.50784221 
O       2.27738120       8.74732659       6.44071561       0.20732721      -1.28852480      -2.25696644 
O       5.15855704       5.65286036       8.54294721      -2.15477784      -3.84995449      -0.43884390 
O       7.50270422       2.60930342       8.10535144      -1.21313237      -1.00883532       0.18233575 
O       5.59595131       1.72473198      10.28395961      -0.17153674      -1.86814176       0.50811353 
O       6.20964412       3.75209278       5.42963455      -1.30350974       1.39432772       0.49624565 
O      10.51511589       9.78107823       8.52987658       0.65909886       1.71129789      -0.11863174 
O       8.19430033       3.08907311       4.34387593       1.66941451       0.02774575      -1.12082155 
O       4.82496522       5.74200543       2.36098518      -1.88913163       1.25898656       0.87000017 
O       2.76871043       0.57637743      10.72837285      -0.27294723       0.32127362      -0.55494964 
O       7.59302134       9.09707799       0.48432763      -0.76266511      -1.03270833       1.02825966 
O      10.19676532       9.63032027       5.88306812       1.47283248      -0.11598115      -0.43283782 
O       1.33638773       4.67572052      10.20722998       0.79303933      -0.35477240       1.09077221 
O       7.50707488       5.84308110       2.84663447       0.03949833      -0.62662525      -1.11480351 
O       2.78732898      10.68005183       3.73790656       0.97910711      -2.23600539       0.74816748 
O       6.11047157       0.58382218       1.82806143       0.43211429      -2.00101875      -0.12352278 
O       9.98901460       6.48401882       1.31112042      -0.30078910       0.70926138       0.81534137 
O       9.75817435       7.47016813       9.36676068       0.41897281      -2.81473154      -0.02021434 
O       1.63973285       6.26944379       1.59610276       0.84413538      -1.14204843       1.19070682 
O       8.49451817       1.04105200       1.53203350      -0.93878854       2.24671477      -1.42141720 
O      10.43459620       9.70531353       0.35445090      -1.46702068      -1.35583009       0.52987109 
O       1.45943809       2.23810223       8.73333893       0.23594264       0.42045488      -1.72347282 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0023269457197162466 -0.0136805440957287 0.011352612510921494 -0.0136805440957287 0.014693493316763796 0.0032580380978181854 0.011352612510921494 0.0032580380978181854 0.021095614160892895" pbc="T T T" energy=-942.78557773 free_energy=-942.7855796 config_type=amorph 
Hf       9.27564768       2.56140254       0.47269819       0.76690966      -4.27553297      -1.05876762 
Hf       3.90774197       7.39460372       1.28414887      -0.16149717      -0.93562160       0.85562222 
Hf       7.40536531       8.10391481       1.84212846       0.92274208      -0.42651626      -0.59442078 
Hf       6.78265629       0.51031451       0.71191401       1.04263095       0.46838017      -1.02961050 
Hf       3.61891116       4.47375364       9.15055198      -0.91576156      -0.16085936      -0.17865083 
Hf       0.50678510       3.86128640       8.92467266      -0.69970537       1.41185318      -2.99663411 
Hf       0.61894620       0.07748327      10.11602568      -3.25230168      -2.31776084       0.39043789 
Hf       4.15401867       7.28576141       6.00568683       0.68596958      -0.10732691      -2.16455539 
Hf       4.92574733       9.98789802       3.71800359       0.66583271       2.89697074       0.28063469 
Hf       1.33719946       4.25988525       1.43374293       1.85279001       0.49772437       1.57671797 
Hf       0.30795582       7.86824978       1.82489756      -2.06132439       2.47862327      -1.12104633 
Hf       1.83370891       1.84661387       3.86339178      -0.61102917      -1.62472661      -0.72989985 
Hf       8.43604200       5.43179909      10.33717120       1.08692814       5.15617258      -2.22749825 
Hf       9.25260635       6.16612237       6.81673496      -0.77258050       0.30466069       0.62745871 
Hf       3.40061403       1.87161803       1.11786490       1.65597140      -2.51325169      -1.22233855 
Hf       9.69423493       3.41489090       5.16161180       3.23811295      -1.44802315       0.88822799 
Hf       9.90996769       0.25546758       2.87879373       1.60795668       0.32980636      -0.05480362 
Hf       5.73486194       7.07028976       9.35572964       1.18926149      -0.92487108       0.03907473 
Hf       6.93543148       1.73610598       3.65821858      -0.72056774       1.11488343       0.70935633 
Hf       3.57182180       4.69074660       3.89538418       3.49273968       0.57161563      -0.44198268 
Hf       5.79648733      10.57412315       6.82458682       0.80094066      -0.01688449       0.70647919 
Hf       1.23492743       7.63836261       7.93189466      -1.17893424      -1.85972635       0.68699887 
Hf       0.73949916       6.04241825       4.42271755      -0.50085878      -0.21319258       1.11984483 
Hf       4.06521102      10.10250832       9.44834961      -2.45154501       0.75686618      -0.29804772 
Hf       1.67544714       9.49260731       4.87423096       0.05190734       1.89654226      -1.45728693 
Hf       5.82215372       4.25288083       0.81362532      -3.03139748      -1.24986772       0.29498903 
Hf       8.53384610       1.15329029       8.00793382       0.75739543       1.25099924       4.91565946 
Hf       9.03886075       8.68326493       9.83595194       2.66850746       1.43224292       0.54860479 
Hf       7.12849766       5.25746414       4.14246120      -1.06746089      -0.12453422       1.56715700 
Hf       8.89416367       9.59207146       5.50099461      -4.03457491      -1.82518312      -0.44471615 
Hf       6.39386118       3.46825112       7.12011536       3.57064817       2.41237671      -3.39226489 
Hf       3.28395785       2.18458275       6.69656078       0.25014252      -3.65172949       0.38507738 
O       9.17809816       9.32300031       2.59926182      -0.21352522      -1.31785129       0.62926577 
O       3.97739488       0.32599757       7.55083275      -0.08449220       0.66729752       0.31569091 
O       1.54075898       5.62258826       8.54471636       1.15235608       1.95720855       0.81304094 
O       5.67141595       0.74197593       5.14265453      -0.40155056      -0.81169393      -2.19117551 
O       4.61427851       8.35190095      10.45582603      -1.41122158       0.21013661       0.17421505 
O       2.14693690       8.26200408       1.34853969       2.09201433      -0.49299194      -0.35791372 
O       5.72932075       9.66541607       8.59695772       0.65217711      -2.39771507      -0.08165201 
O       7.97150280      10.53055830       7.04324460      -1.53851113      -2.55763847      -1.55311756 
O       5.76991551       8.85433993       5.74547664      -0.94862624       0.73609664       0.37372282 
O       4.48757335       2.94894646      10.47412877       0.21692014       2.56440192      -0.64195045 
O       3.75011866       8.72567184       4.34519628      -4.33193800      -1.80094699       0.69288732 
O       7.27945691       5.23049933       6.36104380       1.88679646      -0.71447405      -0.93004636 
O       5.40910571       8.29072242       2.51282260      -0.26959934      -0.06239004      -1.41097373 
O       4.57755610       3.54797276       7.36568313      -2.77001184       1.17545835       2.01874378 
O       1.22922197       3.99208636       3.80429984      -0.12255174       1.60582113      -0.76139546 
O       6.40644142      10.72182418       2.60042888       0.76127426      -0.41562602       0.29369597 
O       7.74883316       7.34168438       9.24821593      -0.67045973      -0.27169344      -1.43892310 
O       7.82127690       1.33314765      10.01811443       1.44477836       1.27127914       1.40221114 
O       2.13828156       0.53666865       5.49104573       0.87468195       1.42751029       0.39679686 
O       6.62427054       6.69051422       0.42442852      -0.42427524      -0.96324291       1.75097334 
O      10.80276498       4.10845050       6.77942880      -0.78840756      -1.09741587      -0.79783745 
O       7.72683838       3.88534552       0.33366759      -0.42710818      -1.47100062       1.50052305 
O       8.65232310       2.36285313       6.51730518      -0.45256407       1.45984394      -0.51469585 
O       4.31256662       5.74407009      10.59730420       0.40523240       0.25433595      -0.13724833 
O      10.28283760       0.66536486       0.92929704       0.62421784       1.18695326      -0.72865685 
O       8.42863307       7.69183530       5.83305318       0.45835579       0.61882976       0.31748948 
O      10.69907587       1.73090339       4.33460482      -0.25255093       1.11559787      -0.38909516 
O       8.42628267       0.44213036       4.44610617      -0.62757205       0.04242904      -1.04879240 
O       1.15182816      10.48719571       3.17682042      -1.83200115       1.27883152      -0.51072389 
O      10.45335892       2.03289494       9.55612235       0.21305374       1.38468755       0.07079515 
O      10.32603474       4.35196577       0.54760275      -0.96947471      -1.41539325      -1.03497135 
O       1.91047914       9.32799717       8.98309628       0.54426428       0.19924315       0.33112451 
O       3.43973211       3.46725983       2.12010996       0.07321103       0.66891161       1.33846294 
O       2.66428623       5.95171008       5.22454385      -0.70684249       0.16998983      -0.81773843 
O       0.64438429       8.03139312       3.83026402       0.08437333      -1.99046465      -0.13790353 
O       5.11136649       5.97412336       4.85487852       0.21104602      -0.14920533      -0.52617891 
O       4.31344208       6.35857669       7.80230237       0.68802974       0.88271674       1.31169947 
O       5.69539016       4.72395730       2.73343561       0.97287946       0.57443784      -0.41287512 
O       1.42885365       2.30046585       1.82145045      -0.97220893      -1.12495116      -0.20135545 
O       9.64297911       5.48946657       4.63463668      -0.23086693      -1.14640076       1.13210040 
O       3.09684247       3.03640054       5.00702512       0.12754808      -0.21574371      -0.99160036 
O       9.49110229       4.77906419       8.68051773      -0.99218518       0.74451069       2.05618513 
O       0.22954704       6.60654525       6.40889550       2.51879375       0.92963198      -2.46200225 
O       2.32408528       8.32811705       6.34242178       0.61062934      -1.13500010       2.24467120 
O       6.64691626       5.19383012       9.18957724      -1.07368216      -1.98815279       0.02364626 
O       6.47172507       1.75740985       7.96809814       1.01304335      -2.18270781      -0.62282519 
O       5.08389522       0.30824134      10.70997945      -2.11018268       0.26831014       0.71337959 
O       5.83308271       3.25710648       5.05718130       2.18649562      -0.21545776       0.09751227 
O       9.82961616      10.52559575       8.89261186      -0.50644931      -0.88033171      -0.28067438 
O       8.35127888       3.44701542       3.69870684      -2.52840418       0.20192178      -0.06559287 
O       3.17611216       5.68398718       2.15785406      -0.28883905       2.32418046       0.24860006 
O       2.29828437       0.90030339      10.43949633       2.40136311       0.14741776       0.25771485 
O       7.61106201       9.51613001       0.23021167      -0.10306850      -0.15008432       0.25070599 
O      10.66896053       9.71921857       5.59990270       2.82204217       0.61748227       1.15969987 
O       2.02262949       4.03521988      10.43090276       0.01732664      -0.33597353      -0.17154372 
O       7.92201277       6.76765074       3.14127474      -1.05274258      -0.52095727      -0.00323830 
O       3.56618789       0.73893246       2.92121073       0.72663992      -0.43920783      -0.43313561 
O       5.91312830       2.27056666       1.73140257       0.06699030       0.10898271      -0.03158253 
O       9.22615113       7.16738396       0.63967892      -0.19216481      -0.20457875      -0.72482226 
O      10.07217401       7.53856756       8.26054130       0.30086283       1.43098988       1.70432572 
O       0.69859695       6.00574078       2.14934778      -1.20487470       0.40217672       1.08190666 
O       8.29365179       1.45569742       1.99917182       0.82847655       0.84744070      -0.15994388 
O      10.77157748       9.11273124       0.10316161       0.17249494      -0.07486192      -0.31784631 
O       2.23623418       3.20534096       7.87553787      -1.43935407      -0.27128802       1.93552187 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0035674811539479433 -0.006440916854002818 -0.0004775336252366316 -0.006440916854002818 0.01957979550615098 -0.008759132737183928 -0.0004775336252366316 -0.008759132737183928 0.016078509370045103" pbc="T T T" energy=-945.28740237 free_energy=-945.28740356 config_type=amorph 
Hf       9.34259366       2.50170427       0.46720378      -1.04433060      -0.91075367      -1.31067973 
Hf       3.74998817       7.30003710       1.52833094       1.45938119      -1.21672457      -1.83869883 
Hf       7.08967238       8.34572260       1.74311267       2.53267468      -1.49680455       0.62875720 
Hf       6.89120917       0.44032191       0.69581522      -0.44000205       2.42390110      -2.35169527 
Hf       3.23701309       4.38318780       9.29729461       0.71784244       1.04347635      -0.18519269 
Hf       0.39089322       3.47810316       8.65251754      -3.62916523       5.27748267      -1.54761727 
Hf       0.47699850      10.84494651      10.11085914       0.42630943      -0.60496469       1.05518655 
Hf       4.24979730       7.45808576       5.66777320       0.30961516      -0.26975554       0.73331752 
Hf       4.85695295      10.03777063       3.51765745      -1.42680532       2.08575119       2.55875441 
Hf       0.99224278       4.13374333       1.31033887       0.27879159      -2.95652724       0.92071666 
Hf       0.35224978       7.85336994       1.75486404      -3.28174540       0.49405756      -0.66399924 
Hf       1.95104915       2.06427113       3.77696884      -0.57025857      -1.33525243       0.65483982 
Hf       8.33010518       5.44434568      10.22255483       1.43248800       0.53197181      -0.74551877 
Hf       9.35514991       6.26285126       6.96597075       3.00034029      -0.02182734      -0.10366029 
Hf       3.84309299       1.55320873       0.86321111      -0.30372710       1.26069633       0.51378313 
Hf       9.90171522       3.34580036       5.23226739      -1.70598253       1.19562067       0.89121810 
Hf       9.75863857       0.74461696       2.93099231       0.99270742      -1.82901486       2.58729343 
Hf       5.68196953       7.00870910       9.30157159      -0.31788633       0.11101249      -1.43745651 
Hf       6.63665102       1.99886469       3.54664622       2.05359313       0.15954371       2.33630156 
Hf       4.49343557       4.57766857       4.32211967      -1.11375397      -1.45683414       0.42681425 
Hf       5.89964969      10.50823035       6.82972796       2.30751960       0.98505835       0.41447112 
Hf       1.38098383       7.74094525       8.02838612      -0.06205589      -3.45673286      -1.26047600 
Hf       0.93394107       6.05431780       4.67588402      -0.37325480      -2.82035112       1.04912941 
Hf       3.91424950       9.84622444       9.52950917       0.28507467       2.60999139      -0.63222447 
Hf       1.46523126       9.45521007       4.57184468      -1.07710278       3.94520287       1.46005981 
Hf       5.69225409       4.69075887       0.99489444      -1.44617074      -1.46864181       0.29003624 
Hf       8.64527407       1.08235406       8.16175046      -0.67093315      -0.26638948      -1.29867388 
Hf       9.14499483       8.57518702       9.89071957      -1.52481741      -0.84532336      -2.12537699 
Hf       7.68463341       5.47993077       4.41129970      -1.97330353       0.78705631      -1.05085118 
Hf       8.58908143       9.35734278       5.01592538       0.07040829       2.14189780       0.99004840 
Hf       6.22677774       3.95676106       7.38760452       0.54307982      -2.87030426      -0.01654006 
Hf       3.23149459       1.79206032       6.85882464      -0.27810334       1.62150413      -3.90891343 
O       8.88028674       9.50825752       3.00406942       0.50761547      -0.68335968      -0.73656640 
O       4.16413539       0.51082400       7.90708972       0.88836916      -2.17658546      -0.15157414 
O       1.72578353       5.60737600       8.46913284       0.76982805       1.30631736       0.68167338 
O       5.67711706       0.63180589       4.89675737      -1.46973291       0.46390816      -0.23859668 
O       4.31088985       8.14386873      10.42191510       0.02236289       0.47507960       0.94554461 
O       2.12104719       8.29475295       1.34825960       0.61210002       0.33963697      -0.20653133 
O       5.58722127       9.19543219       8.40122097      -1.11539273      -0.43235944      -0.20543330 
O       7.99840671      10.36104478       7.08430988      -2.44702245      -0.31315727      -1.38307089 
O       5.84898707       9.05946786       5.32043734      -1.67483170      -0.64219736       0.39236926 
O       4.43056410       3.37440253      10.78344012      -0.01631433      -0.55661215       0.59722812 
O       3.35448339       8.69637421       4.03766213       0.61146482      -0.54726016       0.04793653 
O       7.90538473       4.98045819       6.40824510      -1.88616840      -0.88406703       0.64857383 
O       5.07334610       8.59268552       2.12071010       0.12438017      -1.72302882      -0.68143669 
O       4.22661831       3.43632332       7.89988023       1.62635176       0.19775114      -0.85070516 
O       1.24050803       4.14612957       3.85278576      -0.99837839      -0.60818007      -0.55205974 
O       6.55701114      10.32435961       2.45343276      -0.05576410       0.16194699       0.12946401 
O       7.69755085       7.36636643       9.12864439      -0.74330850      -1.40254770      -0.33462117 
O       7.82129579       1.45184602       9.97566768       1.65977681       0.39251569       2.84381695 
O       2.06485770       0.61644207       5.49943890       1.29165667      -0.10878251       0.35917510 
O       6.43437669       6.57365112       0.65551792      -1.21948091       0.43097158      -1.36731951 
O      10.79352904       4.50965954       6.61642269       0.99471635       0.83784648      -1.15968404 
O       7.55461402       4.05106811       0.63854671       1.43526852      -0.54248250      -0.09386009 
O       9.54742174       2.31373569       6.89842724       0.12594482      -0.26169778       1.47433345 
O       4.17948151       5.78224356      10.36961729       0.30273285       0.49850198       1.15688108 
O      10.17635959       0.53145673       0.78698663      -0.28582991       1.20001479       0.60978268 
O       8.29946526       7.57237623       5.84034367      -0.03793362      -0.09985655      -0.48603635 
O      10.75456577       1.82910885       4.50709179       1.27366289      -0.97158207      -1.75115092 
O       8.14439526       0.79694115       4.58191200       1.02089329      -0.11185717      -2.52928746 
O       0.82622934      10.75658962       3.08557476       0.05153125      -1.09878607       0.19838030 
O      10.65544556       1.87636682       9.58094618      -1.46024034      -1.33602735      -0.02384906 
O      10.25928603       4.24663745      10.69193433      -0.65587108      -0.28837153       1.58412194 
O       1.95176643       9.37178750       9.04813697      -0.25451901       0.51694850       0.30433632 
O       2.65452766       2.75494804       1.90852532      -2.17598532       1.55885247       0.81325829 
O       3.00540921       5.87822825       4.82959166      -0.69643538       1.97474434       1.34782594 
O       0.64199991       7.77179143       3.75130537       0.04379395       0.89985278      -1.40878150 
O       5.57556208       6.07629889       5.00547288       1.41625983       0.24855762      -0.43800420 
O       4.89723092       6.48827994       7.49882546      -0.30963091       0.54842776       0.49018752 
O       5.96363590       4.03940631       3.03935423       0.29541539      -0.37676396      -1.14369557 
O      10.59261620       2.68436898       2.08447211       0.24670454       0.91035699      -1.05716634 
O       9.61770181       5.57781966       4.57222400       2.33550766      -0.02863871       0.19288352 
O       3.32595406       2.92889736       4.95138528      -0.55050454      -0.70280444       0.24683919 
O       9.46555836       4.95593823       8.52552448      -1.19638451       0.16078094       2.14402423 
O       0.48321258       7.21402257       6.25257430      -0.77219515      -1.38498860      -0.43420098 
O       2.57868457       8.32543781       6.45103056       0.81129114       0.62211036       0.48265237 
O       6.60765183       4.93620776       9.17624965      -0.72234066       0.94195828       0.23072052 
O       6.76678961       1.85894952       7.86469606      -0.46515274       1.22965290      -1.95974313 
O       5.08527811       0.36514865      10.53824309       0.51810131      -1.61091705       0.28845816 
O       5.63626728       3.35131387       5.61795650       0.77165228       0.71754644      -0.83302846 
O       9.72929990      10.23539258       8.91603577       1.15547591       1.76052741       0.12545451 
O       8.04921785       3.49179933       4.11242610       1.26981483      -0.38483463       0.30965271 
O       4.15617822       5.56095181       2.52467253      -0.45396443       1.44159287      -2.77581296 
O       2.52820074       0.52110606      10.66838916      -1.39949159      -1.30575452      -1.21967246 
O       7.77419579       9.62557246       0.16834527      -0.64161024      -1.94617160       0.30159235 
O      10.41532409       9.82446916       5.31245303       0.63558931      -0.77527165       0.15655306 
O       1.71662662       3.60359359      10.27163840       0.18422483       0.06751973       1.32195235 
O       7.59370225       6.83735379       2.85585771      -0.12085002       0.29517951       1.64144408 
O       3.39508097       0.48305559       2.96852504       1.68108188       0.15461690      -0.86792644 
O       5.66879815       1.83468816       1.64163337       0.63634972       0.12931284       2.06569162 
O       9.02460569       7.00032473       0.47562050       1.43025484       0.85549241       0.40174166 
O      10.30634923       7.64838738       8.36398919      -0.79239156       0.07905019       1.22023888 
O       0.77792439       5.94924438       1.86121535       0.17224741       1.01751234      -0.37212859 
O       8.15683665       1.63323630       1.91931491      -0.60070825      -0.05864838       0.48308560 
O      10.60071679       9.11459908       0.14039177       3.23444719      -0.92094810       2.19365628 
O       1.89510056       2.76539522       7.79363650       0.07507615      -1.06193264      -0.11195401 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.006706077008310819 0.0010495043418873487 -0.0034827175965242998 0.0010495043418873487 0.000879512128504528 -0.0009750918405112706 -0.0034827175965242998 -0.0009750918405112706 0.007924035980290844" pbc="T T T" energy=-941.73968182 free_energy=-941.73968736 config_type=amorph 
Hf       9.07626906       2.59112835       0.47817674       0.70617744       0.99773923      -0.73186019 
Hf       3.54242081       7.40094666       1.02864676      -1.66744590       0.00523343       0.30938008 
Hf       7.20349244       7.89032413       2.11445966       1.95847450       0.55088198      -0.29173167 
Hf       6.69990931       0.20049791       0.52155964       3.22045206      -1.76689392       0.85184422 
Hf       3.86853053       4.51185046       9.24212703      -3.91465588      -0.33605928       2.35236260 
Hf       0.63059106       3.81358908       8.59720079       0.78834006       0.41681117       0.22803883 
Hf       0.50786162       0.40033000      10.10204388      -0.91215703      -2.81728382       1.22701166 
Hf       4.22719077       7.38841929       5.57529762      -0.87431488       1.93947632       1.02627399 
Hf       4.68558559       9.88525361       3.44982179       1.77906204       0.93469769      -2.21072607 
Hf       1.37210495       4.39432024       1.52986820      -2.89026740       2.34358356      -4.32817621 
Hf       0.47998454       8.15643670       1.67656545      -1.28384964       0.90317838      -2.23885128 
Hf       1.88506873       1.18833517       3.63352155      -0.62293255       2.22067505      -2.62420941 
Hf       8.33492909       5.84018549      10.80223465       0.69839671      -4.90768793      -2.73085719 
Hf       9.25061823       6.09914849       7.17848340       1.60188270       0.70910670       2.67340377 
Hf       3.85478529       1.50013458       0.88317867      -1.20294300       1.27581982      -0.61891041 
Hf      10.10953119       3.33138962       5.09350408      -1.73036402       0.03676133       1.69314269 
Hf       9.64452582       0.25539376       2.98048104       1.39121058      -1.56358515      -1.53027772 
Hf       5.66668561       7.17242783       9.17717276       2.57434671      -1.43523789      -0.63093797 
Hf       6.76842132       2.04134586       3.57045856       0.85562469      -1.06357051      -0.02822964 
Hf       4.18593019       4.51317917       4.21624843      -2.26681996      -2.29505356      -1.11420102 
Hf       5.83417769      10.72265458       6.66241296       0.33366557       1.46513723      -0.60283697 
Hf       1.34660726       7.56970871       8.09685058       0.59816797      -3.70323325      -0.90711745 
Hf       0.83113099       5.86163354       4.84137928       0.07489348       0.61254108      -1.43714511 
Hf       3.78395740      10.00878794       9.23757897      -0.67576460       0.59060544      -1.00030570 
Hf       1.39453246       9.31829755       4.87669351      -0.56101801      -1.48644324       0.76352927 
Hf       5.62015894       4.78077136       1.41242309       2.90294378      -0.71245239      -5.85519510 
Hf       8.64390921       1.25346901       8.11833880       0.04518178      -1.99573956      -0.16108638 
Hf       9.11102994       8.64837128       9.37611582      -0.42633075       0.73064223       1.99124681 
Hf       7.42725630       5.60808731       4.61874764       1.53629038       0.26118817      -1.43825018 
Hf       8.59125346       9.26717049       5.38621301      -0.30627612      -0.16355390      -0.34100691 
Hf       6.17474287       3.70038273       7.24835940       1.28734380       0.17554902       2.68092472 
Hf       3.15107847       1.98038412       6.52650943      -0.14592591      -1.36345082       3.78070421 
O       9.40334564       9.12420337       2.65926299      -0.36617065       0.32371805       0.39452001 
O       4.11501686       0.38119523       7.62172024      -2.18931936       1.55872142      -1.73097562 
O       2.07030933       5.58201131       8.29581720       0.45919720       0.81011245       0.04531441 
O       5.45055476       0.84696771       4.45083282      -0.70176711       0.08000377       0.96956235 
O       4.30653330       8.20273475      10.12663723      -0.05928472       1.15723921       0.13843732 
O       2.19851472       8.85239751       1.20993217       1.55313841       0.37581162       0.33642401 
O       5.74553516       9.76178778       8.26079273      -0.26121190      -3.93722524       2.66555829 
O       7.80730824      10.42760590       6.77167660       0.50827229       1.85901076       0.59940948 
O       5.37972253       9.34162831       5.26607411      -0.45744138      -2.03197924       0.56974023 
O       4.62177341       3.31190300       0.00752281      -0.74358325      -0.90414111       1.51239497 
O       3.23658959       8.75513514       3.96532097      -0.20482203      -1.15119382       0.66123857 
O       7.50217052       5.29105232       6.75274321      -0.94404484      -0.63032428      -0.49888661 
O       5.08886961       7.89027506       2.18406849       0.45380095       1.41702017       1.25396693 
O       4.29339938       3.03067066       8.06394918      -0.46105477      -1.07733410      -2.64467290 
O       0.57448560       4.30742418       3.36645036      -0.26220372       1.86676711       1.97850208 
O       6.63564345       9.79610290       2.12056788      -1.73154146       1.20803645       1.18089883 
O       7.80229455       6.94176866       9.11518999      -0.41262979      -0.07431799      -0.07063173 
O       7.86285232       1.24677269      10.13717257       1.12278563       1.68069356      -0.58841299 
O       2.17836520       0.35445286       5.37031582       0.71871728      -0.59413816       0.85133512 
O       6.43498508       6.47619366       0.29894449      -0.94590725       0.27567425       0.03138744 
O       0.47574220       4.47547937       6.40262725      -0.43069956      -1.84180257      -0.70404859 
O       7.40528085       3.88909368       0.40530558       1.37937152       0.55432105       0.41925953 
O       9.74346951       2.27104337       6.85871065      -0.63893897       0.57142024      -0.87750026 
O       3.81385713       5.78990500      10.76821895       2.20453628       0.26267843      -0.80704587 
O      10.54537105       1.09980002       0.92799450      -0.21305790      -0.50571871       1.43027115 
O       8.69155995       8.00111190       7.03928214       0.55698053      -0.07257588      -0.16012154 
O      10.75128476       1.93147502       3.87601588       0.08842611      -1.21548783       0.28900704 
O       8.03382755       0.13695193       4.03536253      -0.23476317       0.41629939       2.47784941 
O       0.78242294      10.37741259       3.24934364       0.19639565       0.14558900      -0.30795628 
O      10.44742614       2.17366147       9.67428072      -0.88610707       0.04077310      -1.86033966 
O      10.21704175       4.35989971       0.68104557      -0.10200026      -0.98430040       1.35100706 
O       1.88710474       9.08418118       9.09749184       1.38126728       1.99323981       0.07412572 
O       5.89645239       3.85351879       3.05927468      -0.44053423      -2.81471519       2.37291655 
O       2.85375993       5.91737325       5.13858372       0.86943000      -0.79793187      -0.93057361 
O       0.71736608       7.55825286       3.53183217       0.61800436      -0.98365687       3.27350947 
O       5.47661709       5.78119505       4.69452896      -0.41547406       4.60187488       1.94452622 
O       4.82380218       6.86659052       7.39525988      -0.40816925       1.10240225      -0.53455127 
O       7.19357494       5.86735549       2.57965306       0.66899750       0.05486134       0.28373004 
O       2.15931251       2.72532982       2.01699287       2.54400374      -2.54861844      -0.19075533 
O       9.46873135       5.54678176       5.19637431       0.27362729      -0.01541843      -1.47980968 
O       2.96738458       2.68368861       4.69897540      -0.01650429       1.60045772      -0.97402585 
O       9.72030084       4.69977508       8.94292275      -1.04993431       0.94291748      -1.49348311 
O       0.41621753       6.93568356       6.33637402      -1.19430496       2.45871363       2.08678157 
O       2.53669758       8.44692800       6.41537328       0.54882007      -0.78676916       0.32421787 
O       5.74216078       4.92499922       8.73581277       0.50476087       2.32919832       1.54211124 
O       6.68107265       1.82673446       7.57914897       1.56147372      -0.84386732      -0.39297884 
O       4.94683582       0.07405483      10.66255919      -1.33257114       0.30508946      -0.05948512 
O       5.23636513       3.65930204       5.68581941      -1.54588757      -1.57448092      -1.90112018 
O       9.69936663      10.39049038       8.66917120       1.13673301       2.26197396      -0.06083353 
O       7.98530808       3.53024258       4.67607574       0.66782509      -1.27491288      -0.70108175 
O       4.22041293       5.46779911       2.41052418      -4.81157083       1.20708749       1.74026194 
O       2.57634404       0.53551712      10.18892257      -0.65557937       1.27960743       1.12692282 
O       7.74430692       9.43218807      10.66122136      -1.26278735       0.30915746      -0.25255265 
O      10.43160212       9.80031484       5.54931997       0.65207741      -0.26843739      -0.18407491 
O       1.87185632       4.04504793      10.23643262      -0.65401534      -1.46551507       0.10129160 
O       7.51931109       7.79964973       4.45372712       0.00544915      -1.67552667      -1.39830412 
O       3.09790064       0.12124310       2.36263025       2.56170474       1.73241073       0.60868206 
O       5.63894717       1.51915221       1.91930601      -0.69352772      -0.59554715      -1.12752884 
O       8.86358369       7.35201085       0.79723395       1.60342051       1.61257039       1.98290309 
O      10.46775859       7.22530081       9.07402027       0.69704398      -0.02661742      -1.25832542 
O       1.57693444       6.51151483       0.91274858      -0.67785102      -1.60258597       2.03646138 
O       8.29828898       1.58910486       2.15159830      -0.63440522       1.26455392      -1.45258273 
O      10.68646055       9.32871553       0.15340323      -0.61949839       1.41661865      -2.24522671 
O       1.63667462       2.16901397       7.70455450       0.16194267       0.70178325      -0.45106060 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.018760078146061038 -0.010679104199795848 0.00259194984253761 -0.010679104199795848 0.007169414333523647 0.0003301558224809668 0.00259194984253761 0.0003301558224809668 0.02637366330991715" pbc="T T T" energy=-946.93467051 free_energy=-946.93467138 config_type=amorph 
Hf       9.20929457       2.40430316       0.23549839      -0.61137493      -0.69661243       1.59769092 
Hf       3.88989965       7.36045862       1.20767329       1.05620465      -0.15213697      -0.35883598 
Hf       7.48569295       7.99503179       1.73037718      -1.03127972       0.28014887      -0.58041600 
Hf       6.82106567       0.21869524       0.77330034       0.26695785       0.65657767      -0.98756842 
Hf       3.33829742       4.37010653       9.24813700      -1.45003162      -1.13323792       2.31627483 
Hf       0.29476349       3.98532860       8.69988201       1.37270906      -2.29722015       2.44671774 
Hf       0.61946525      10.56754311      10.32873852      -0.45307476       1.80267021      -1.47049505 
Hf       4.26636205       7.53930959       5.67717091      -0.78195048      -0.62968367       0.01439684 
Hf       5.10082583       9.95693046       3.68390028       0.59800579       0.59316121      -1.34600308 
Hf       0.91658750       3.95825989       1.63192626       2.05952500       3.90691762      -1.85784900 
Hf       0.13960642       8.00562076       1.88793644       0.12977894      -1.77023857      -0.00813545 
Hf       1.84931461       2.03521397       3.70884353      -1.13097056      -3.00258183      -0.70855040 
Hf       8.38077464       5.48777232      10.27850038      -0.12738110       0.25634038      -0.42837878 
Hf       9.46639527       6.23299583       6.90157949      -1.26611569       0.01461797      -1.52260412 
Hf       3.80535269       1.70987538       1.02294576      -2.01194917      -1.08293580       0.10191601 
Hf       9.88983109       3.38149945       5.13428807       0.44214571       1.70945591       2.63056152 
Hf       9.74505758       0.63282139       2.90668188       0.22163970      -1.64357376       0.82684601 
Hf       5.62584409       7.22131891       9.11788627       0.03029428       0.72210420       1.46720793 
Hf       6.67032290       2.05419719       3.85207608       0.83833164      -0.09528056      -1.24711406 
Hf       4.26414322       4.59871222       4.15171484       0.19684498       0.12028755      -2.13021192 
Hf       5.80837548      10.62334937       6.87020167       0.13231561       1.00713072      -0.34104066 
Hf       1.45750392       7.59841597       8.07141228       0.47832312       0.18098581      -1.03588491 
Hf       0.92159044       6.07406194       4.44633123      -1.81659709       0.96542731      -0.89796456 
Hf       3.90876497      10.18698699       9.42968980      -0.37071647       0.63679889      -0.51749714 
Hf       1.60602276       9.76701132       4.79828158      -1.95314868      -1.02346557       1.09285981 
Hf       5.64894143       4.66204922       0.91596011       0.79668209       1.20648665       1.74878570 
Hf       8.63672751       1.16186117       7.99795140      -0.99067130      -0.74267264       1.60537004 
Hf       9.02729861       8.55494175       9.54673084      -0.15556594       2.46909600       2.25339209 
Hf       7.52089622       5.14932153       4.38979097      -0.63075279       2.22758781       0.04883560 
Hf       8.66564527       9.32868079       5.54784677       1.46926381       1.35246512      -1.30194781 
Hf       6.39391166       3.60554198       7.33415484       0.84231705       0.33747140       0.18391250 
Hf       3.17800160       2.09843285       6.73369247      -1.64453104      -2.17987998       2.21603117 
O       9.35935393       9.42988011       2.45181646       0.32727350      -2.19985330       0.05418368 
O       4.13479911       0.58686359       7.70221322      -0.19904165      -0.17503859      -0.07379566 
O       1.61425948       5.58248855       8.79998234       0.88548915       0.94034249      -0.81677193 
O       5.58878285       0.80827194       4.98483982      -0.86541197      -1.00718123       0.12140905 
O       4.59830131       8.59285108      10.41471168      -0.41260461      -1.79594714       0.51606561 
O       2.08908237       7.96730139       1.36616207      -0.74358991       0.73148969      -0.39302657 
O       5.32563722       9.21370974       8.17017728       0.39318059      -0.53728476       0.55346225 
O       7.75059851      10.13766741       7.17734001       1.68369834       0.35356641       0.55653649 
O       5.66373529       9.02128462       5.49436007       0.28451827       0.87069954      -0.92720113 
O       4.73634723       3.26272118       0.05211206      -0.44377457      -0.47992129      -1.72166128 
O       3.42295295       9.17052020       4.20356602       0.13586528      -0.91741674       0.67361301 
O       7.87067563       4.73098820       6.46855263       0.82763143       1.43639137      -0.61332171 
O       5.09853025       8.22219619       2.55868986      -0.79110759      -1.05862812      -0.49241813 
O       4.39155686       3.46940526       7.62951142       0.04075700       1.35066209       0.52856476 
O       0.80468999       4.10565271       3.98214150       0.95997786      -1.93020831      -0.35454184 
O       6.73248730       9.73823631       2.37021581       0.73672610       1.75400464       0.10627531 
O       7.82229914       7.06229187       8.93196325      -1.32242532       1.30426339      -0.83761699 
O       7.72975842       1.30595257      10.01715592       0.48365883       0.38097267       0.75458284 
O       2.08444203       0.58956606       5.72002238       0.80144814       2.03779980      -0.24932478 
O       6.09184270       6.58241817       0.44958923       1.74294228       0.92205180      -0.45737097 
O       0.12815144       4.19925279       6.83236899      -1.61223199       0.44963129      -2.56015488 
O       7.95324880       4.26012832       0.85018173      -2.02231247      -1.40637743      -0.61895154 
O       8.62476401       2.26381683       6.38922334       1.22369147       0.22666846       0.91702454 
O       3.86425638       5.96649894      10.24673303       1.61988278       0.56754743      -0.44602042 
O      10.23152663       0.50140903       0.87525678       0.16561917       0.27727308      -2.35967734 
O       8.11395825       7.44328040       5.76262242       1.36818139      -0.25331743       0.97966183 
O      10.48166070       1.73982396       4.52613711       1.94543621      -1.44655554      -1.04804528 
O       8.18320600       0.23032978       4.47702955      -0.02547213      -0.00205731      -1.17445357 
O       0.76956271      10.75781259       3.37594696      -0.44336323       0.54719405      -1.03033923 
O       9.92970401       2.25420102       9.23866179       0.81081370       1.10048065      -1.62611844 
O      10.35514022       4.15465757       0.08261355      -0.17902251      -0.05283318      -0.30382899 
O       2.15270728       9.36733672       9.01655570      -2.24706377      -1.50703131       0.16065379 
O       2.96342885       3.22701981       2.37093537      -1.52831852      -0.14306162       0.54621573 
O       2.88790743       5.96085244       4.88217597       0.69203736       0.04059770       0.01756293 
O       0.89718001       7.99656037       3.71180059      -0.11109031      -0.61979779       0.50258854 
O       5.51022426       6.07698089       4.87859761      -0.19815195      -0.64790528      -0.50853315 
O       4.69253529       6.78502178       7.48205542      -0.41738050      -0.74690436      -0.03843159 
O       5.88426536       3.98395570       2.78908804       0.52368418      -0.76109527       1.90536081 
O       0.13113292       2.31667125       2.06694538      -0.62412291      -0.53871674       0.86274187 
O       9.58566360       5.52182439       4.57417684       0.39328603      -0.17658901       1.99775545 
O       3.19105431       2.87772416       4.92270799       0.75190120       1.66503151      -0.02116023 
O       9.58433619       5.20188011       8.72694572      -0.59896583       0.74849574      -0.59193642 
O       0.37616124       6.96425479       6.22457335       0.29335764      -1.90376590       0.40330986 
O       2.50882887       8.30137099       6.56392110       0.79578403      -0.13477435      -0.59646625 
O       6.58261229       4.83590735       9.06807001      -0.18940466      -0.26046544       0.44670164 
O       6.55590672       1.66297893       7.62715906       0.31504910      -0.69868235       0.49193622 
O       4.97680665       0.39044224      10.75127521       1.15242758       0.36098843       0.61312820 
O       5.81076323       3.50944059       5.31063101       0.66910126      -0.20582211      -1.16922575 
O       9.89166766      10.61775140       8.94345102       0.68628056      -1.75351572       0.41916125 
O       8.37624656       3.34138497       3.88951371      -2.44939096      -0.08220186      -0.56137100 
O       3.97572734       5.56198750       2.14194406       1.09830643      -0.02067154       0.17706497 
O       2.48578711       0.67533708      10.40605840      -0.13216806      -0.22320754       1.04336097 
O       7.40635812       9.34639382      10.68990018       0.87271159      -0.48482939      -0.01673211 
O      10.62127396       9.44969330       5.64862432      -2.04288006       0.45816441       0.61058144 
O       2.16700522       3.68414965      10.77885993      -0.40821799       0.17409896      -0.84571584 
O       7.69198132       6.50452616       2.91426060      -0.19788103       0.05324988       0.36409216 
O       2.92377783       0.68303783       2.51223798       0.94160999       0.66369145       0.68055478 
O       5.60181972       1.22280673       2.19603448      -0.72969599       0.35396419       1.38763719 
O       8.97172641       7.18949142       0.40407045       0.24650064       0.05055871       0.07175696 
O      10.36693099       7.85496170       8.27070687      -0.61658013      -0.71464080      -0.24304207 
O       0.35191822       5.85988751       2.19304583       0.15643766       1.65963973       0.25159380 
O       8.05232158       1.62629213       1.83355942       0.50168578      -0.89613835       0.79275053 
O      10.74905183       8.85730621      10.82752487       0.13811519      -0.75289680      -0.00849441 
O       1.95169402       2.69670962       8.19409102       0.35185781       1.03095759      -0.62623623 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0006501090993825092 -0.007348386811512261 0.0040595769065412644 -0.007348386811512261 0.025603211354761523 -0.004650364824497132 0.0040595769065412644 -0.004650364824497132 0.01220322397429406" pbc="T T T" energy=-947.47815379 free_energy=-947.47815628 config_type=amorph 
Hf       9.00813616       2.64558592       0.35709117       3.58288869      -0.80753196       1.00759591 
Hf       3.86036492       7.13906221       1.23196635       0.62026352       0.81585117      -3.70107404 
Hf       7.29842612       8.23332374       1.70819470       0.87978912      -4.40887460       0.72062441 
Hf       6.77108895       0.35308441       0.62744771      -1.07315964       0.25445640      -0.11240485 
Hf       3.39151336       4.27999297       9.28775350      -0.77148055       0.63805725       1.51942787 
Hf       0.32087152       3.92545760       8.77485626      -0.86659463      -0.49691513       1.83337140 
Hf       0.64854716       0.01116403      10.03099984      -3.04124667      -1.15907520       0.27569767 
Hf       4.34735963       7.55462825       5.59874357       0.41469784       1.21514064       0.88894199 
Hf       4.80717479      10.13747482       3.22801784      -1.78100382      -0.38488492       2.02585248 
Hf       0.81214223       4.28395609       1.55426256      -0.32220646      -0.39336497       0.81428891 
Hf       0.09033558       7.98634551       1.92643929       0.21040150       0.81480824       0.11239233 
Hf       1.82607048       1.84935955       3.96881857       2.11775303       0.81496770      -1.58203873 
Hf       8.35468496       5.65250080      10.33311168      -0.29046134       0.18224352      -0.02223582 
Hf       9.51337792       5.97284937       6.91950324      -1.99115914       1.75582339      -0.91512890 
Hf       3.52327659       1.58961413       0.91344621      -0.81717482      -0.18550560      -1.42618293 
Hf       9.92283671       3.32796857       5.24681818      -1.70594172       0.18789998      -0.62035575 
Hf       9.99000535       0.56241701       2.94171862      -1.02221346      -1.31000627      -1.15140957 
Hf       5.68608355       6.95961924       9.09186075       0.27820543       1.18557609       1.07377418 
Hf       6.70657588       1.80954330       3.66299614       3.15065433       1.52182114       2.60016953 
Hf       4.41799514       4.60556910       4.11810767      -1.05834782      -0.18745136       0.91396302 
Hf       5.92547123      10.63427565       6.85941848      -0.08173971      -1.09035409      -1.23220521 
Hf       1.32327303       7.58563141       7.99701275       0.90313006       0.11635478       0.33901619 
Hf       1.02942202       6.12090736       4.48549219      -1.68450173      -0.64885122       0.10068319 
Hf       3.82777043      10.03478763       9.30563198       1.13363869      -1.14660355      -0.11312411 
Hf       1.61561468       9.64189250       5.13814447      -1.66944651      -0.30158805      -0.77351394 
Hf       5.65378120       4.50092809       1.01967311       0.20106365      -0.07195184      -1.25965704 
Hf       8.60463436       1.06113248       8.16462631       0.54832187      -1.82320966       0.79301192 
Hf       9.17429137       8.60787813       9.77235471       0.88319580      -0.35394805       0.02389826 
Hf       7.53689601       5.46794904       4.41735950       1.14571608       0.11954765      -0.10395095 
Hf       8.69640526       9.43954369       5.43967505      -0.94779705      -2.13453181      -1.11660758 
Hf       6.38110061       3.63666967       7.24621972       1.18663415      -0.08124933       1.74915314 
Hf       3.22623142       2.04387083       6.86832504      -0.19391850      -1.34719050       0.55720967 
O       9.62810937       9.35944707       2.89586178      -0.46321208       0.08196346      -0.62751700 
O       4.22257095       0.47371076       7.77007548      -1.72193062       1.53523730      -0.88311553 
O       2.05858174       5.77414547       8.54694256      -0.23060045      -0.77093853       0.54080112 
O       5.31953290       0.81576761       4.96031801       1.11340160      -0.06405331      -2.09977999 
O       4.42278845       8.22293920      10.24876719      -1.03975786       0.01905107       0.40810036 
O       2.06460551       7.62461748       1.29620041      -0.56962249       0.29679365       0.14612384 
O       5.61600334       9.37643044       8.32088313      -1.21250730      -0.89669539       0.86260800 
O       7.84476475      10.05830425       7.10272271       0.89226212       1.40070603       0.85290029 
O       5.79443156       9.10719330       5.46753997      -0.52646381      -0.37464045      -0.53905507 
O       4.47800651       3.05355674       0.06070607       1.72548208       3.33388567      -0.97508887 
O       3.48961698       9.04414812       4.22554060      -0.15305620       0.53311748       0.33871871 
O       8.00481577       4.55755553       6.47342290       0.33901999       1.09763433      -0.01575968 
O       5.07051595       8.23110535       2.23757657       0.60606984       1.21199516       0.88975240 
O       4.41748685       3.57932984       7.68163043      -1.62734488      -0.76414261       0.06373386 
O       1.16761819       3.94783105       3.98889535      -0.45711449       0.92074298       0.09535383 
O       6.65910632       9.97123057       2.34470628      -0.33347313       2.24028137       0.64163650 
O       7.66157069       7.26693116       9.03080978       1.58087786       0.06409085       0.48678321 
O       7.54432013       1.58604933      10.20243017       1.54681060      -0.32358119      -0.64202864 
O       2.01662299       0.66952828       5.87494137       0.70402995       0.80214176      -0.71000007 
O       6.56271540       6.69680971       0.55284301      -0.87643650      -1.86858788      -0.40344223 
O      10.78421016       4.32202392       6.74657235       1.00264514      -0.71217804       1.87413691 
O       7.59717563       4.03159375       0.43040886      -1.11502661       0.26996660       1.06931914 
O       9.30822328       1.78674906       6.64093060       0.59998991       1.89554582      -1.58066336 
O       4.52269456       5.64887966      10.22856491      -1.55137431      -0.19556183       1.82800749 
O      10.60351317       0.78486812       0.70917778      -0.85661571       0.07215673       1.27598135 
O       8.50566494       7.30819945       5.54116923      -0.78514906       0.63017132       1.62786026 
O      10.79004534       1.75342850       4.41492616      -1.49805748       0.42318376      -0.01259155 
O       8.18028281       0.27936678       4.41670183      -0.02229050       1.21124859      -1.17284876 
O       1.00341690      10.77495337       3.50330925       0.55162044       0.17660801      -0.69309596 
O      10.20144126       2.09694205       9.17289709      -0.09561066       1.23330257       1.22404900 
O      10.12531124       4.56199915       0.01940086       0.56459767      -1.17233036       0.35165407 
O       1.87959887       9.48563557       8.80695158      -0.25801835      -0.68699631       0.62416845 
O       2.43679028       2.92633233       1.94982987      -0.59989969      -0.73043948       1.99355142 
O       3.04106888       5.94872566       5.06306610      -1.02008260      -0.18091593      -1.11340074 
O       1.07997945       8.05236783       3.78285733      -0.41047373      -0.90090370       1.09449210 
O       5.43036605       6.27328998       4.53021867       1.46597619      -0.02732959       0.00490402 
O       4.95030193       6.75702648       7.37292042      -1.14699425       0.13491937      -1.90779145 
O       6.18652658       4.15132043       3.10237704      -0.87201333      -0.32869591      -3.17328334 
O      10.35181839       2.95023489       1.91720064      -0.64964809      -0.86143448       0.61757280 
O       9.67675337       5.41228402       4.64426725       1.77013640      -0.92270563       1.14388802 
O       3.40145290       2.77450892       5.03438446      -0.62512862       0.87274014      -0.95630946 
O       9.35474301       4.94361767       8.77239209       0.12404294       0.43202988      -2.26461402 
O       0.45124938       6.74314630       6.43103998       1.12056811      -0.29917656      -2.59225920 
O       2.44791023       8.39200457       6.51079669       1.10702161      -0.45812471      -0.12363757 
O       6.38492628       4.78403489       8.94110474       1.22516171       0.72877809      -0.29939368 
O       6.67560691       1.59203293       7.73571335       0.08084952       1.43285803      -1.12348545 
O       4.85235246       0.32976581      10.57080414       2.25895426      -0.34441931       2.04259257 
O       5.78129124       3.80755935       5.36542296      -0.22245201      -0.26557791       0.44719133 
O       9.78407112      10.30096643       8.90464202       0.03475106       0.63933248       0.27508664 
O       8.20040541       3.40907895       4.20087006      -0.34228643      -1.58441509      -0.44015054 
O       4.12047881       5.34595392       2.06613245      -0.24139283      -0.67907336       1.03186923 
O       2.44758660       0.65559316      10.27057816       1.22055320       0.75995688       0.58383617 
O       7.71123660       9.46013604       0.03425801      -0.83624195       0.88353984       0.58928808 
O      10.47964272       9.63199410       5.91870739       2.51263900       0.03399936      -0.21375591 
O       1.81293548       3.99504700      10.69069616       0.30791127       0.39959960      -3.00919874 
O       7.90171354       6.75169449       2.97418511      -1.00842978       0.87832113      -0.58301984 
O       3.20515987       0.43051319       2.37831606       1.62955341      -2.22314200       3.12482949 
O       5.59328748       1.60937955       2.07700456      -0.58056500      -0.88160420      -0.91267734 
O       9.18539581       7.11810107       0.57454390       0.38835178       1.87766613      -0.27876982 
O      10.21204142       7.50123774       8.39919225      -0.01158658       0.00049980       0.76915464 
O       0.21264064       6.09342980       2.39630267       0.89805505      -2.05282715       0.59506010 
O       8.26624773       1.42003905       2.00174272      -1.58262985      -0.03239893      -1.01191109 
O       0.07053238       9.09035052       0.22233614      -0.54985022       0.32526234      -1.91211586 
O       1.93619004       2.77110143       8.23198602       0.75075102       0.56190485      -0.51464684 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.007696476624308011 -0.007983854297919361 6.711289417412026e-05 -0.007983854297919361 0.014445257001967608 0.01631243735597019 6.711289417412026e-05 0.01631243735597019 0.025495891932066323" pbc="T T T" energy=-941.46118797 free_energy=-941.46119603 config_type=amorph 
Hf       9.62711829       2.23952984       0.33658882      -0.11121420       3.13492668       2.27166184 
Hf       3.62712823       7.46965050       1.09693633       2.48952865      -1.47569814       1.46392468 
Hf       7.20440926       8.35265569       1.81797728      -0.65532199      -0.60923298      -0.16046728 
Hf       6.89112883       0.61498233       0.65001223      -0.53459387       0.73932472       1.80348090 
Hf       3.87086910       4.44757982       9.30138616      -0.41703108       0.62913741      -1.13858973 
Hf       0.81433196       3.58100020       8.95802340      -1.28851263      -1.69399224      -2.07583671 
Hf       0.45348927      10.62367061       9.98147562       1.77451491       2.66989487       2.10492312 
Hf       3.96336173       7.58383360       5.80514267      -0.67822746      -0.74513378       0.37231004 
Hf       4.83812205      10.14134815       3.63131597      -0.74554834      -0.61586854      -2.86291385 
Hf       1.55727378       4.22077444       1.62030376      -1.36908550      -1.10759583      -0.26369269 
Hf       0.13348039       7.92211677       1.53311328      -0.32000729      -0.99545993       1.71372285 
Hf       1.96156896       1.69231261       3.64049068      -0.18173799       2.27643471      -0.99831160 
Hf       8.68740001       5.45241652      10.50021075       2.30861982       2.66914106      -3.25127492 
Hf       9.45052164       6.27431178       7.20928702      -1.99903541      -2.32542852       1.19166715 
Hf       3.75920967       1.96946523       0.65280622       0.92130816      -1.35869589       2.31755013 
Hf       9.55641547       3.41070708       5.54507221       1.85898576      -0.93015698       1.13753477 
Hf       9.83800477       0.47901648       3.09143220      -1.17586336       1.09851065      -0.14448624 
Hf       5.32134646       7.40114740       8.96113039       0.83381622      -3.17117764      -0.13147160 
Hf       6.87189472       2.17418811       3.92468072      -1.11424359      -2.31327779      -2.96472795 
Hf       3.91683592       4.75776749       3.95579538      -1.27930153      -0.49579546       1.21827682 
Hf       5.81552385      10.45159878       6.56698053       1.64235918       0.34049803       2.48098784 
Hf       1.48247366       7.28842437       8.12657649       0.71671172       0.47980640      -1.61420257 
Hf       0.69039106       6.10258138       4.39412917      -0.64539433      -1.57913448       0.36885297 
Hf       3.69603791      10.26808630       9.44852429      -0.70708891       0.95634824      -1.39170755 
Hf       1.43062530       9.64247766       4.81143602      -1.81435022      -0.73130793       0.95475455 
Hf       6.11463401       4.33055366       1.13364332       0.50180248       0.99357586       2.31643453 
Hf       8.41426077       0.73370751       8.10603235       0.98193143       1.15040622      -1.10439362 
Hf       8.93710786       8.65685390       9.61339118      -1.47101748      -0.97556749      -0.27077789 
Hf       7.26326649       5.65042865       4.63117372      -1.21494094      -0.99715261      -1.78119470 
Hf       8.47394330       9.25886309       5.03775699       0.26476668       1.90432456      -1.20956676 
Hf       6.52217915       3.49825767       7.44450630       3.65915872       0.38975433      -0.87996789 
Hf       3.40406407       1.75395427       6.63163636      -0.91387361       1.13856030      -0.77522633 
O       9.04092313       9.45865045       2.72344352      -0.34575425      -0.52241468       0.18478404 
O       3.87632019      10.79202793       7.29789340       0.55241765       0.31047274       1.66639231 
O       1.93784043       5.19046714       8.44230308       1.56304620       0.07149593       2.02628139 
O       5.19032959       0.70510121       5.04459769      -0.57867530       0.86643031      -0.59133183 
O       4.59489262       8.68349921      10.22794935      -1.42456807      -0.58624789       1.66694290 
O       2.04903716       8.49587250       1.06637708      -1.96636730       0.20078234       0.12082793 
O       5.22940642       8.91234428       7.77555132       1.03282322      -0.45297981      -0.54798245 
O       7.87853629       9.93016877       7.03562669      -0.81200683       0.44759417      -0.77342071 
O       5.91978803       9.07619198       5.07652191      -0.34031491      -0.21082233       0.13762141 
O       5.06813548       3.32784426      10.59220952       0.45185507       0.49203973       0.01566704 
O       3.26903643       8.71132125       4.37359751       0.72884041       2.44805360      -1.84023902 
O       7.69066802       5.13768676       6.43349309       0.39028141      -0.25077275       1.82908905 
O       5.01774697       8.37086235       2.19035617       0.26980380       0.01929709      -0.01908310 
O       4.73875441       3.03760440       7.64735070      -3.59670461       0.37599248       0.99013133 
O       1.08980825       4.19661589       3.62641877       0.95113704       1.71277655       0.55138317 
O       6.38919511      10.43497704       2.32253162      -0.29347733      -1.34474867       0.94166736 
O       7.91690398       7.04617756       8.90693000      -1.20482239       0.52862911       0.57391275 
O       8.14956582       1.17881718      10.06739406      -0.49377897       1.67148433      -0.17868533 
O       2.02166653       0.60990806       5.39877870       1.16406208       0.66437852      -0.36240957 
O       6.60166726       6.43766063       0.81697603      -0.18800854      -0.98520264      -0.41619087 
O      10.80113783       3.76285350       7.20768560       0.07704057       0.22955768      -0.69980258 
O       8.12479355       4.19749558       0.87870227      -2.18681732      -2.74604147       0.92755952 
O       8.73587791       2.17260634       6.87086250      -1.33181465       0.46219396       0.57062328 
O       4.03859730       6.09291781      10.52075132      -0.49393704      -0.11915028      -1.12074705 
O      10.00332079       0.43913368       0.77258186       2.15403259      -1.93757047       1.69591265 
O       8.80028154       7.75216161       6.08281271       0.10740600      -1.77906317       0.63142620 
O      10.47270724       1.95399111       4.73860329       0.78173463      -1.01059556      -2.64045542 
O       7.88110719       0.52622842       4.31595478       1.18043688      -0.65853721       0.96504702 
O       1.00802641      10.84497713       3.02305774      -1.14352808      -0.42609743       0.68609964 
O      10.65986594       1.79691822       9.59579628       1.39578174      -0.83703683      -1.55879705 
O      10.71375475       4.13151680      10.73196446      -0.37401629       0.73321223       0.00009950 
O       1.74949100       9.33309868       9.09730532       1.55119989      -0.10873210       0.24248355 
O       3.21686184       3.13828544       2.29057896      -0.10588693       0.06384715       0.11236943 
O       2.52568532       6.12312054       4.91053247       4.04198313       0.51053077       1.46470796 
O       0.32351266       7.95903731       3.73052249       0.74924351      -0.06860264      -1.59239246 
O       5.35483953       6.17457068       5.31287969      -1.04785326      -0.34944108      -0.44871696 
O       3.54558088       7.10846713       7.73054974       1.47170136      -0.82838379       1.41385237 
O       5.75399346       4.65631412       3.20147392       1.61117854      -0.15982958      -1.02018941 
O       0.43671629       2.61116040       1.94125736      -0.28290993      -1.97550751      -0.56100153 
O       9.81321480       5.42830367       5.09226754      -1.54119751       0.15660250      -0.36008167 
O       3.39752061       3.02906728       4.89718511      -0.72091672      -0.92553616       0.58389005 
O       8.96102008       4.49479892       8.72912188      -1.28641930       1.36277531       1.35587212 
O       0.46035939       6.36696725       6.70711522       1.41329180       1.01274805      -1.43685184 
O       1.93000963       8.53581154       6.47526153      -0.32632411      -0.22723360      -0.29024833 
O       5.63520911       5.23858851       8.71418874       0.62991184       0.13773751      -0.87364438 
O       6.51499148       1.14039304       7.88348354      -1.16740095       0.54819938      -0.65815550 
O       5.12430923       0.47050444      10.54099908      -1.41295218       0.92288029      -0.12950268 
O       6.36526888       3.11423393       5.54692137      -1.79384077       0.41482223       2.24137346 
O       9.91424477      10.29538745       8.73311409      -1.76595075      -1.52233900      -1.41306716 
O       8.05506010       3.64747230       4.06949972       2.32423474       2.62959278      -0.46823269 
O       3.38322984       5.73160579       2.36868940      -0.62399386       1.37816214      -2.11881135 
O       2.49807781       0.70356069      10.60713496      -0.21866848      -1.89497314      -0.92146521 
O       7.27242079       9.61043402      10.85437168       2.05542786      -2.65548879      -0.63330328 
O      10.30030071      10.11341907       5.20202787      -0.84802393      -0.69225683      -0.89697248 
O       2.58368457       3.35949458      10.60618264      -0.88370710       1.28998823      -0.52530363 
O       7.38921853       7.36748279       3.54697462       1.11385319       0.09799431       0.50462264 
O       3.45537982       0.64666597       2.68525996       0.98441733      -0.64734601       0.37576739 
O       5.91435171       2.19829228       1.92689124      -1.20799658       1.25550944      -0.85012659 
O       9.11952374       7.16624545       0.77075854      -0.10718654       0.73129530      -0.15193006 
O      10.41559811       7.24459137       8.88794775      -0.27383209       0.25118122      -0.00806951 
O       0.70403295       5.96459669       1.53572401      -0.87791265       3.59371173       0.61121384 
O       8.24418651       1.81513628       2.00576891       1.79575292      -1.64349552       0.00408979 
O      10.38489816       9.03532136      10.77838963       2.22312156      -0.01010106       1.84234227 
O       2.22615806       2.05183484       8.08002691      -0.77629633       1.46905246       0.52182956 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.01836051388973058 -0.009078790216484977 0.00021909711166845158 -0.009078790216484977 0.016082813932919424 0.009564358742389159 0.00021909711166845158 0.009564358742389159 0.022847506576223784" pbc="T T T" energy=-942.1043457 free_energy=-942.10434993 config_type=amorph 
Hf       9.39302179       2.41089373       0.45139757      -0.36130717      -0.62573922      -1.29431278 
Hf       3.92244931       7.33894576       0.97371162      -0.94759459      -1.01800772       1.46583986 
Hf       7.47555984       8.27733468       1.84927422      -0.18553598      -1.67799660       0.52036552 
Hf       6.92376241       0.40618614       0.74090897      -0.97268307       3.51016492      -0.08162087 
Hf       3.70204311       4.35576256       9.16919138      -1.83192509      -0.39414604      -1.14377675 
Hf       0.52626620       3.92199898       8.84127820      -0.76889136      -0.03055435      -0.46394628 
Hf       0.39084523      10.70651345      10.02897285       1.09081822       1.31065854       0.31531288 
Hf       4.42563422       7.67072326       6.37533165      -0.71401137      -2.14607356      -2.72764073 
Hf       4.96472124       9.76459686       3.55961512       2.01523170      -1.75050540      -0.56875176 
Hf       1.03947946       4.18284872       1.47902601       2.65959249      -0.74714658       1.17503644 
Hf       0.36454330       7.89836262       1.77891642      -0.73110878       3.55408543      -0.42284634 
Hf       1.68725929       2.14319233       3.87960163      -2.56519023      -0.62987176       0.44971255 
Hf       8.64250450       5.47582870      10.60954670      -0.26048354       1.68907351      -1.40878792 
Hf       9.24148086       6.36105618       7.03562886       0.52585190       1.89828791      -0.81412406 
Hf       3.74337545       1.22820625       1.13271781       0.51808853       1.68073879      -2.63705797 
Hf       9.56949022       3.49946859       5.31152807       0.80677043      -0.79825702       2.70723830 
Hf      10.05376618       0.53491079       2.83313241      -0.56878975      -1.95110062       0.40885840 
Hf       5.75533509       6.91784569       9.26313854      -0.40051659       0.13218450      -0.17506410 
Hf       7.08634599       1.80085300       3.71336141      -1.47418789       0.90314898      -0.79360606 
Hf       4.05762752       4.88166941       3.95394807       0.40293151       0.39602141       1.88646107 
Hf       5.63304913      10.60496455       6.54771852       2.84380854       1.17557261       0.52902770 
Hf       1.41599657       7.50930239       8.13335977      -1.39576064      -2.23780880       0.04053931 
Hf       0.89697863       6.12465411       4.55109002       0.68040787       1.52285983       0.54468638 
Hf       3.84302177       9.97593811       9.22069310      -1.28652804       2.23231061       2.10270871 
Hf       1.54422531       9.73328635       4.85018922      -1.99448254       0.48222070       1.52437116 
Hf       5.62839501       4.49305310       0.80611956       0.90710621      -1.23152426       0.53968469 
Hf       8.24915199       1.04418200       8.08267760       0.96992788       0.68773648       0.16695971 
Hf       9.06271087       8.68128082       9.76071702      -0.71180084       0.29150727       0.32477781 
Hf       7.28922709       5.32561865       4.43493346      -1.24607162       1.51652209      -1.39175854 
Hf       8.39379207       9.42833525       5.10544749       2.02632068      -0.10742389      -0.27568033 
Hf       6.41129454       3.55912420       7.25182432       1.13150817      -1.17275329      -1.31433315 
Hf       3.11791369       2.08705950       6.63449484      -0.49995338       1.03260241       3.43304461 
O       9.78064615       9.28999610       2.79485526      -0.66112880      -0.39806736      -1.68118865 
O       3.80848084       0.43715869       7.62597268       1.74116338      -1.53991557      -0.61579322 
O       1.85586045       5.39922240       8.24998978      -0.24830701       1.94120479       0.87127656 
O       5.69078337       0.78367642       4.76190712      -1.57564162      -0.98617754       0.77979521 
O       4.42108074       8.36811189      10.18177029       1.18682623      -0.87465473      -0.26209987 
O       2.19466506       8.14747391       0.80433694      -0.68907090      -0.65253201       2.04324424 
O       5.60084579       8.76263689       7.90627419      -2.42745461       1.02968793      -1.28657292 
O       7.68789183      10.40841782       6.92979757      -0.90957909       0.06009406      -1.50049580 
O       6.20674645       9.20905920       5.06734622      -0.49202142      -0.53306584       1.67627700 
O       4.44639528       2.98353559      10.43253805      -0.42051649       1.72474047       0.88407376 
O       3.62632139       9.16804897       4.91684479       0.11954742       0.52387039       0.33394130 
O       7.83470091       4.83520625       6.52133724       0.09805548       3.23549214      -1.22782621 
O       5.30590415       8.05240876       2.19577588       0.15499934       1.82386126       1.11426179 
O       4.48156349       3.46495165       7.34318517      -1.84791307       0.87188333       0.92091610 
O       1.36792894       4.34739850       3.75632774      -1.06664964      -1.80295303      -0.76771564 
O       6.77939667      10.17894080       2.63814334       0.68313980      -0.30394062      -2.32838036 
O       7.75220753       7.24300884       9.05082131      -0.03456820      -1.15888366       0.54032843 
O       7.77342879       1.47555501       9.97925201       0.01338141       0.06042236       1.57093169 
O       1.94194261       0.88867232       5.70288985      -0.77656782      -1.23739184      -1.36624571 
O       6.45901466       6.36810435       0.59293544       1.20048661       1.20415360      -2.26972578 
O      10.76336236       3.79707851       6.89827189      -0.04068655       0.38210742      -1.47156956 
O       7.65188747       3.91002789       0.41407557       0.55030635       0.33287083      -0.14700101 
O       8.30549087       2.63162366       6.77748649       1.18185380      -2.03692513       0.17163791 
O       4.15999814       5.85845544      10.50946254       0.94784989      -1.32057016      -0.81133649 
O       9.86187085       0.25929586       0.60971428       0.67073431       0.73048422       0.75728591 
O       8.10515581       8.01247786       6.26196364       1.44420079      -5.57665257       2.42313648 
O      10.40129376       1.86626888       4.48305722       1.14926400       1.58351895      -0.31164342 
O       8.43637290       0.30737826       4.13136231      -0.75681807       2.94031404       0.20377435 
O       1.23556187       0.15093503       3.34652698      -0.44251882      -0.33192204      -0.68801941 
O      10.37660194       1.99075054       9.58568976       1.00246755       0.50431417      -0.69679817 
O      10.33433726       4.36351379       0.29665423      -3.34138914      -0.14653583      -0.71270160 
O       1.91981973       9.45474705       9.02207909      -0.11817114      -0.95964749      -0.85057809 
O       2.52411647       2.45390577       2.14929393       0.73795482       1.51567693      -1.10330310 
O       2.93127881       6.08004314       5.12181563      -1.20278438      -0.33749231      -1.10985065 
O       1.10499641       8.06975994       3.84802221       0.34496623      -1.75437583      -2.02686480 
O       5.31387945       6.22183473       5.01508868       1.56715904      -0.38452685       0.20718964 
O       4.21983656       6.41898703       7.85185309       1.39151031      -0.01778018       1.11037650 
O       6.07377587       5.09565114       2.64912423      -0.75869331      -1.81371873       2.06130207 
O       0.07682657       2.24702106       1.89276590       0.02161411       2.02710624      -0.55684662 
O       9.56631409       5.63465696       4.82988782       0.46917232      -1.07661021       0.81362519 
O       3.17571916       2.97735517       4.81909953       1.93342262       1.26554809       0.42722265 
O       9.54663899       5.11558191       8.69770987      -0.83047161       0.28883265       2.15048529 
O       0.42206813       6.93168734       6.32635631      -1.66524646      -1.13963862       1.32334476 
O       2.45860950       8.12811072       6.70839161       1.55874212       1.80021423      -0.33110431 
O       6.11536692       4.87699076       9.02342930      -0.24433694      -0.25144400      -0.31639919 
O       6.26097843       1.48445354       7.67660198      -0.13393023      -0.27571410      -0.07200390 
O       5.11256644       0.17513462      10.79507618      -1.09335030      -0.71718549      -1.18321826 
O       6.13222121       3.36112488       5.12485291      -0.77439845       1.11940960       0.28516549 
O       9.57283963      10.35887198       8.71184941       0.97207522       0.16190897       1.05218709 
O       8.10347133       3.55807623       3.83892371       1.39402820       0.41990344      -0.00885378 
O       3.53667172       5.44471121       2.14460919      -0.21184610       0.24852179      -0.59300794 
O       2.35009799       0.40449146      10.70093893       0.28228313       0.02753573      -0.26721880 
O       7.40973250       9.67825871      10.73955718       1.43115687      -4.09125742      -0.18617552 
O      10.39594733       9.60025813       5.27732988       1.19813073       0.70551869       0.91506418 
O       1.78691462       4.38134493      10.52262621       1.51318653      -0.87971039       0.22682401 
O       7.96592295       7.06684091       3.24455979      -1.08228507       0.17310869       0.64801642 
O       3.81187975       0.00415658       2.57886359      -1.23304854       0.46893769      -0.07986375 
O       5.76491018       2.06572512       1.73939535       0.07879898      -0.18942525       1.39834950 
O       9.13353529       7.38048014       0.70400613      -1.02274036      -1.28762599      -0.44007188 
O      10.22375348       7.71653266       8.51736440       1.28049641      -1.24557043      -1.40677350 
O       0.48138708       6.03840573       2.02378982      -0.15477329      -0.86563113       0.97625158 
O       8.40802987       1.69434882       2.04178956      -1.63039942      -1.09192070       0.01193478 
O      10.85488041       8.85613807      10.79638883      -0.25426030       1.23209937      -0.61723214 
O       2.00591330       2.74958391       8.27213003       2.12794919      -0.63149901      -1.15897941 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011954701810862925 -0.005786282167424822 -0.0067317713665142505 -0.005786282167424822 0.0027050737314066797 0.00716476608194931 -0.0067317713665142505 0.00716476608194931 0.0081180404838922" pbc="T T T" energy=-950.8360963 free_energy=-950.83609654 config_type=amorph 
Hf       9.42910074       2.53957072       0.45838744      -0.87294351      -0.59904568      -2.10435934 
Hf       3.57861408       7.21677368       0.95810896       1.49142182      -2.21918200       0.90573211 
Hf       7.19303288       7.78841817       1.64757495      -1.54755066       1.10305513      -0.50094697 
Hf       7.09043765       0.25512322       0.79363745      -0.11619154      -0.13858947       0.71467634 
Hf       3.24645096       4.22713616       9.43953511       0.61932098       0.10904135       0.05167699 
Hf       0.29537677       3.89514935       8.42420921       0.52934256       0.71013603      -0.64051339 
Hf       0.74505165      10.49225467      10.06217443       1.24411395       2.20216341       0.01032615 
Hf       4.24903204       7.38670235       5.88610226      -0.28815537       1.08136825      -2.03854304 
Hf       5.06340905       9.82602542       3.72606368       0.92817315      -0.72465877       0.30745128 
Hf       0.83149772       4.40145222       1.61469797       1.97991180      -0.01053832       0.92748969 
Hf       0.11943497       8.15522383       2.03998176       0.58943948      -0.73339981      -0.77233544 
Hf       1.83130173       2.04461579       3.93622614      -1.29968049      -0.31127407       0.20293617 
Hf       8.45179979       5.38400569      10.15250947      -1.10506582       0.97689080      -0.14703322 
Hf       8.96504356       6.65950074       6.94767463      -1.11201463      -1.33239296       1.87254671 
Hf       3.98294693       1.29485303       1.11406712      -0.86822260       0.87504353       1.89538662 
Hf       9.55964394       3.33256439       5.32757747       0.71554584      -0.66858085       1.42635485 
Hf       9.97662434       0.77832303       2.74308149       2.28342941      -0.98832383       0.53406987 
Hf       5.70391740       7.13868408       9.03170868       0.12573956      -0.50997226       1.79011817 
Hf       6.87288580       1.88599923       4.03834423      -2.13211287      -0.37083664      -1.23765655 
Hf       3.43095452       4.79029271       3.80361122       1.19938117      -0.18470549      -0.89189214 
Hf       6.06883807      10.61231887       6.93332371       0.69696984      -1.50508082       2.00480618 
Hf       1.33380652       7.51024798       7.86325835       0.69343109      -0.24244945       0.63817591 
Hf       0.53221385       6.15271965       4.55850872      -0.26941339      -0.45723935      -0.96722251 
Hf       4.02150819      10.04758620       9.51460263      -0.13144775      -0.01539703      -0.80116307 
Hf       1.70968615       9.71125728       4.86783276       2.19720664      -0.03820623      -0.15972844 
Hf       5.75674294       4.44669101       0.64155230       0.25643571      -1.30980845       0.24348782 
Hf       8.70503292       1.19295792       8.19893535      -1.41653019      -0.52514700       0.94835853 
Hf       9.19059948       8.69925060       9.83377969      -2.12140177      -0.51706905      -0.00782704 
Hf       7.17413716       5.23636241       4.17671563      -2.14095894       0.94215600       1.40233784 
Hf       9.29354884       9.80487212       5.10645822      -1.98564356      -1.63390391       0.98456778 
Hf       6.55703730       3.63629806       7.31025901      -0.54676781      -0.51065494       1.96621821 
Hf       3.32073085       1.99607537       6.94770579       0.21970672       0.65893101      -0.51575218 
O       9.61556604       9.55089935       2.85901941       0.08809362       0.82084798       0.58174410 
O       4.33589238       0.45596430       7.90319837      -1.89305684      -0.02680473      -0.67687837 
O       1.71865210       5.62373448       8.49164101       0.40487181      -0.56647247       0.39814856 
O       5.72587483       0.42133457       5.16395558      -0.60925558       2.04409309      -2.63708178 
O       4.16954804       8.14274748      10.16092054       1.19282595       0.12065646      -0.08106678 
O       2.01114932       8.14416152       1.29844648      -2.43418153       1.33768848       1.24607603 
O       5.69947921       9.14453094       8.50985495       0.02887210       0.06659350      -0.61416381 
O       8.13242970      10.49698413       6.82490871       0.46644089       0.02883971       0.12164424 
O       5.60742268       8.95330208       5.68695618      -0.41384026      -1.95813437       0.85349878 
O       4.47077151       2.98608553      10.80706769      -0.33717695       0.90410020      -0.38047795 
O       3.57184286       8.65454193       4.27532625      -1.34593060       0.11349105       0.33401150 
O       7.35467619       5.46432801       6.41259264       0.30543320      -0.23037966      -1.53054974 
O       5.13492013       7.81191731       1.97027121       0.34807855      -0.19515221       0.07983888 
O       4.49194793       3.49424440       7.74104122      -0.18216568      -0.06312146       0.29063291 
O       1.29352833       4.15673070       3.75042905      -0.11214582       0.62601632       0.52723300 
O       6.79769051       9.61812673       2.74691682       0.65423732       0.29007652      -1.44704494 
O       7.85869184       7.20051085       8.76428618       0.29795697       1.00740999      -0.20745666 
O       8.17573562       1.22935941      10.17325207      -1.12856592      -1.19164972       0.57791649 
O       2.32279652       0.69259826       5.62103754       0.36180129       0.07165614       0.09685939 
O       6.72217636       6.18852567       0.18530921      -0.36595447       1.77177276       0.79235376 
O       0.33191548       3.49356751       6.51233699      -0.60779354       0.61823394       0.41543121 
O       7.58614991       3.68648236       0.22170766       0.71555457       0.05350312       0.47953164 
O       8.48219967       2.83903436       7.04145602       1.55394643       0.26702878      -0.93242859 
O       4.37630628       5.66480616      10.43387154      -0.50947397      -0.27370643      -0.51773931 
O      10.51783986       0.47301335       0.68330695      -0.28248700       1.83568718       0.87663705 
O       8.81600003       7.92311013       5.56873604      -0.73886762       2.35958383      -0.95962626 
O      10.50605983       1.88173844       4.44326094       1.95900146       0.04235620      -0.58843497 
O       8.41473595       0.77477876       4.45380963       0.54272717      -1.12720470      -0.34366462 
O       1.16850624       0.15846978       3.30907839      -0.67926008      -0.62864128       0.08707336 
O      10.21803250       2.34998649       9.32993210       0.17763909       0.74124128      -0.17444311 
O       9.98582619       4.52562740       0.37877350       0.29405034       0.11925547      -0.25128759 
O       2.10216754       9.18144018       9.16111870      -0.63900694       0.33618154      -0.71844168 
O       2.68528525       2.64174831       2.21888832       0.88388471      -0.85901476       0.09204301 
O       2.49041984       6.29063172       4.69717509       1.36251007      -0.68081761       1.32583350 
O       0.54491688       8.15357334       4.06656633       0.18849279      -0.14702104      -0.57277418 
O       5.08620329       5.90427212       4.72414750      -0.25306869      -0.30523170       0.13253024 
O       4.34308385       6.59247887       7.78797382       0.33890995       0.31841791      -1.46711240 
O       5.73328462       4.46638011       2.62383477       0.06896647       0.35833990       0.50100346 
O      10.72852559       2.69885886       2.02681027      -0.33053814      -0.81901671      -0.10033071 
O       9.53075516       5.24625864       4.81751211      -0.17149026       0.62913621       0.19779594 
O       3.23991152       2.96680908       5.05217228       0.80253565       1.10197825       0.26121316 
O       9.59132823       5.18763819       8.49021905       0.23370718      -0.22897043      -0.20840431 
O       0.03905175       6.63771636       6.45253851       2.46417854       0.08353087       0.22828878 
O       2.46371156       8.41043488       6.49987757      -0.02427189      -0.33483889       0.01637588 
O       6.74527577       4.79256658       8.90343251      -0.07843153       1.12649840       1.27516504 
O       6.58828853       1.46578559       7.99601799       1.56905742       0.54080113      -0.39619838 
O       5.37982143       0.24874076      10.72976496      -1.84651257      -0.23893530       0.01003034 
O       6.18968936       3.13826177       5.51174035      -0.56038825      -0.47520919      -3.12331947 
O      10.03703544      10.58830416       8.79073163       0.27754897      -1.10366458       1.05660614 
O       8.09523092       3.49028172       3.87666140       0.06572817      -0.35546701      -0.83114764 
O       2.91573305       5.43709059       1.92844837       0.64261332       0.21158737       1.09068155 
O       2.67002294       0.53582131      10.58660232       0.13881355      -0.80943843      -0.22896125 
O       7.41540679       9.23087018       0.12544212       0.92952296       0.89096076      -0.52472405 
O       0.10780477       9.88819416       5.99158420      -0.39764318       0.52230988       0.29285794 
O       1.77683047       4.20275082      10.80228535       0.51658304      -0.69216301      -2.60180817 
O       7.73945521       6.83760295       3.20726384       0.34864029      -1.26266978       0.49657070 
O       3.78325033      10.74769011       2.63317471      -0.31906064       1.40385411      -1.23223930 
O       5.86617757       1.51255208       2.26154894      -0.07506496      -0.27294587      -0.37996755 
O       8.96680609       7.25157744       0.42982424       1.05709218      -0.42509929       0.52490618 
O      10.40214197       7.93230199       8.53845354      -0.47439618      -0.50638360      -0.60066655 
O       0.33283143       6.16894372       2.42295146      -1.45326249       1.45123061       0.06307336 
O       8.35233141       1.46546218       1.88646551      -0.56012137       0.44312419       0.02465738 
O      10.80297853       9.01492453       0.14063962      -0.69757175      -1.28056814       0.19146447 
O       2.09786245       2.83301418       8.26966140       0.39889929      -0.64965910       0.67702996 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009692618222231894 -0.0064099593994025655 0.003328717171854016 -0.0064099593994025655 0.009355165101907347 0.009117714932518383 0.003328717171854016 0.009117714932518383 0.018357211850535075" pbc="T T T" energy=-939.83868556 free_energy=-939.83869228 config_type=amorph 
Hf       9.50229509       2.51443477       0.46654252      -2.04738493       3.92817474       0.19281252 
Hf       3.67540170       7.15572531       1.35181473       1.14106518      -2.37150343      -2.29958815 
Hf       7.24984346       7.85555392       1.78017858       0.29485971      -2.61540458      -0.39590292 
Hf       6.79847662       0.43095070       0.60545511       0.16826978       1.75268189      -1.76685685 
Hf       3.65919011       4.64969424       9.08830638       0.19746965       1.37392004       1.79499896 
Hf       0.60264776       3.61772858       8.65847638       0.11772096       2.59737621      -0.75354887 
Hf       0.60935124       0.24980056      10.42390540      -0.46063632      -2.37172998      -1.25013610 
Hf       4.22591862       7.70062602       6.09810476      -0.27938142       0.63233693      -0.73540347 
Hf       4.67945164      10.15005169       3.58432496      -0.57038747      -1.27393407       0.16519445 
Hf       1.22741743       4.40782230       1.24607213      -0.41352254       0.10770672      -0.91460625 
Hf       0.23474865       8.01625327       2.07796393      -0.40976292      -0.50982724      -0.67375006 
Hf       1.59026779       1.77703251       3.55503905       3.64460467       0.15759451       1.64490078 
Hf       8.71676615       5.68483854      10.39725997       0.09471496      -0.68366848       2.14565037 
Hf       9.61643444       6.29584364       7.08848589      -1.57492869      -1.62011235       0.89928937 
Hf       3.83528346       1.59815125       0.85042383      -2.05055405       0.23061288       0.47351409 
Hf       9.93164133       3.25765462       5.43825982      -2.42483785      -0.81878173       0.59906881 
Hf       9.86510616       0.21027146       2.85809184      -0.51449191      -0.76761466       2.67702778 
Hf       5.74257267       7.31761637       9.12639223      -0.07376482      -2.62101041       0.85651051 
Hf       6.89716562       1.63998928       3.49776870      -1.73423852       2.23159548       2.91978135 
Hf       4.15237133       4.88492513       4.16336611      -0.65424891      -2.22797797      -2.20074093 
Hf       5.85362686      10.68236358       6.65142643      -1.51136307      -0.13093706      -2.48314204 
Hf       1.64040345       7.44417170       8.22010601      -1.36969863       0.25866816      -0.45753834 
Hf       0.61402556       5.79767165       4.53657778       2.19409951       1.55137263      -0.12318060 
Hf       3.85892971      10.07615385       9.38014592      -1.76269629      -0.54929564      -3.13838085 
Hf       1.28700171       9.51405058       5.17225245       0.74602455       0.59680947       0.07325515 
Hf       5.70045096       4.35646790       0.65155752       3.00890713      -0.22130664       0.59633135 
Hf       8.56875452       1.00241616       7.89312616       0.46851176      -0.20932572       2.10447507 
Hf       9.28387539       8.91710816       9.90157355       0.80821426      -2.01200842       1.36456163 
Hf       7.28782999       5.05964254       4.52184505       1.30777923       1.24850680      -1.13033474 
Hf       8.46517049       9.22188665       5.19658297      -1.13528122      -0.84528446      -0.01745797 
Hf       6.10045278       3.86184855       7.10443812       2.15245556       0.95655369       0.49909710 
Hf       3.21761223       1.90184931       6.64795337      -1.55959633       0.55525942      -4.05878898 
O       9.24210499       9.17016107       3.21127722      -0.80977196      -0.36311956       0.03734152 
O       3.95192563       0.47736870       7.69555762       1.88212018      -0.75697353      -0.32513080 
O       1.76126658       5.42573375       8.50841844       1.45425409       1.49409324      -1.65809365 
O       5.26880861       0.76561034       4.76896637       0.82375658       0.92326054       2.96118424 
O       4.51184981       8.42479611      10.17099883       0.50326936      -1.40161690       1.97467580 
O       1.92665837       7.78725665       1.00166729      -0.19503513       0.65742800       0.19240147 
O       5.08471141       8.98703855       7.69639888       1.11817846       0.28888962      -0.30586884 
O       7.70882931      10.26684835       7.08455708       0.63558244      -0.32015499       0.42919900 
O       6.16693226       9.19030071       5.08739749      -0.60443358       0.22622153       1.15546138 
O       4.18127617       2.99966141      10.37734441       0.25700673       2.00139694      -0.86201187 
O       3.41886086       9.28451624       4.73119393      -0.90046718      -2.52981618       0.80809964 
O       7.88940015       4.82841168       6.44913027      -1.53458293      -1.15252865      -0.41610174 
O       4.93846144       8.32453163       2.18495393       1.95500073       1.07506150       1.05985828 
O       4.14691394       3.50768697       7.52451975       0.17857180      -0.12787068      -0.86652941 
O       0.66534803       3.74291861       4.58050480       2.79090922       0.68727549      -2.06940742 
O       5.98949402       0.09346112       2.39398375       2.26905327      -0.18678727      -1.85353806 
O       7.70995631       7.76906279       9.27601104       0.64994064       1.17858793      -0.31188550 
O       8.11433041       1.07648153       9.96644650       0.01527329       0.52860545      -0.06312587 
O       2.18777279       0.71417377       5.24549631      -0.76433658      -0.07620202       0.62519816 
O       6.82501217       6.35499963       0.39748466       0.58593876       1.69680056       0.42376198 
O      10.80597478       4.56984754       6.91028662      -1.47496921      -1.00727124       0.62834748 
O       7.81883466       3.85509535       0.26137507       0.19682245       0.27443539      -0.17952651 
O      10.03150087       1.88852421       7.06111244      -1.53779417       1.36731100      -0.78148856 
O       4.54812873       5.78975714      10.73111516      -3.11113395       2.16538327      -0.58939389 
O      10.49179533       0.96229821       1.19783145       1.29830380       0.18184893      -1.01792500 
O       8.42977733       7.35647748       5.95710851      -0.31273817       2.40855345       0.21383887 
O      10.53132074       1.62180162       4.13406652      -1.00933990      -0.79276283      -0.42940329 
O       7.93447012       0.54081958       4.61331229       1.50924954      -2.27967382      -0.08627168 
O       1.03085755      10.40025850       3.16349337      -1.63361710       0.39717264       0.26445228 
O      10.81252757       2.04843137       9.77034933      -0.46501157      -0.17525370       0.62842739 
O      10.49980841       4.62188252      10.28249183      -0.59689359      -0.74835520       0.91942979 
O       2.12376736       9.42336619       9.08613109      -3.66871343      -2.15223670       0.31186554 
O       1.92012404       2.50608633       1.57758897       1.40665604      -0.27825857       1.15967588 
O       2.72344700       6.02233376       4.83581583      -0.31506856       0.76783755       0.84777552 
O       0.81085141       7.90032653       4.04238975      -0.24051245       0.13220651      -0.22115655 
O       5.26450222       6.07005008       5.32977479       1.54406846       1.07615204       0.46111632 
O       4.24427673       6.59784734       7.86939089      -1.98278055       0.57887360      -0.57247030 
O       5.95066884       4.98945855       2.46243572      -0.63787373      -1.93278160       2.13061202 
O      10.33788294       3.72009181       1.81458923      -0.60678209      -1.85904858      -0.49903720 
O       9.55662163       5.54559092       4.78556889      -0.10046063      -1.26577029      -0.04246716 
O       3.24391188       3.11454453       4.43901827      -0.62435167      -0.57644940       0.44511407 
O       8.53260533       5.20276838       8.64628154       1.03613630       0.77461705      -1.89231147 
O       0.65328282       6.96286529       6.50280781      -1.33790826      -0.00473978       0.04193984 
O       2.47065247       8.60717062       6.76899964      -0.26106772      -0.91405345      -0.33702650 
O       5.81832892       5.13181412       8.91653277       0.59554528      -1.51124805      -1.53833806 
O       6.66612985       1.96709474       7.34824803       1.02504702      -1.38296146       0.29964201 
O       5.10088098       0.35649157      10.22816550       2.98150010       2.15429100       4.01821969 
O       5.82529468       3.64116985       5.09448908      -0.57508822       0.41110823       0.19337518 
O      10.12445489      10.44280035       8.89929113      -0.95154703      -0.44127726       0.58322050 
O       8.13039305       3.12010570       4.30070322       0.71375651       1.37497018      -0.55027368 
O       3.50134131       5.34833613       2.20444403      -1.69484084       0.05940782       0.28757014 
O       2.47643837       0.55025289      10.50659798       2.55273268       0.30611751       0.56913898 
O       7.71191154       9.58897794       0.67583300       0.66034842      -0.79685698      -0.97068977 
O      10.16988290       9.77990651       5.86327426       1.90055161       0.09437366      -0.39093651 
O       2.07975990       4.29615332      10.34640703       0.15414546      -1.50963239       0.40503800 
O       7.40559970       6.67751448       3.24457868       0.86073485       1.36702562       0.63614152 
O       3.52347505       0.68340065       2.86339756      -1.50157511       1.10577878      -2.49996970 
O       5.61041806       2.38100106       1.31553385       1.67376629      -1.07881513       1.62138847 
O       9.39408343       7.31642239       0.96069527      -1.33381129       0.28236670      -0.71919594 
O      10.45908837       7.34077560       8.98634809      -0.37216260       1.28049135      -0.42426500 
O       0.60710625       6.00216079       2.29178922      -0.13726108       0.35775189       2.17063200 
O       8.22550988       1.35493702       2.06349197       0.56695505       0.07797480      -2.48385122 
O      10.73294088       9.43904549       0.63252284      -0.63259770       0.92589774      -1.96394085 
O       1.57584685       2.40190433       7.37977274       0.46570151       0.55118418       1.81444514 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.006382710150204185 -0.002751488320806235 0.0005303143292502599 -0.002751488320806235 0.02307539673219029 0.009418955122728502 0.0005303143292502599 0.009418955122728502 0.017230736157050786" pbc="T T T" energy=-952.54782504 free_energy=-952.54782521 config_type=amorph 
Hf       9.08620491       2.57317540       0.46943303       0.50769564      -1.23937656      -1.72658971 
Hf       3.85757277       7.26233523       1.15326380      -0.38519558       0.59374798       0.06101183 
Hf       7.25603713       8.08624771       1.80799323       1.02792556       0.82420530       0.80138094 
Hf       6.82345895       0.49292880       0.72290467       0.04795544      -1.99682293       0.30014175 
Hf       3.25665410       4.35079458       9.22200628       1.30783523       0.70121360       1.83067115 
Hf       0.23581214       4.01714534       8.87440260      -0.29893437      -0.16092440      -0.34539718 
Hf       0.48920963       0.15597836      10.12201318       0.16932466      -1.67381212       0.09967018 
Hf       4.18858164       7.47517693       5.71375012       1.70542527       0.55324751       1.25375877 
Hf       4.94089228       9.91838701       3.64776260       1.25831372      -0.71596841      -0.89458992 
Hf       0.90972801       4.03853444       1.53030267      -0.01773541       0.23158826      -0.25331044 
Hf       0.10032495       7.77898833       1.71398190       0.74351773       2.25868060       1.30377988 
Hf       1.76394994       1.96544675       3.93884969       0.17486331      -0.96600005       0.25339928 
Hf       8.25403964       5.54393793      10.21970590      -0.40897592      -0.36603981       1.15252495 
Hf       9.50201066       6.21856479       6.86657619       1.08639622       1.04051556       0.25485308 
Hf       3.76933366       1.48644492       1.08250594      -0.37548863       0.03543489      -0.79523845 
Hf       9.96532710       3.38417445       5.34361611      -0.56738428       0.15775374      -1.74955036 
Hf       9.84632497       0.47616582       2.81997113       0.16660047      -1.07855772       0.64448366 
Hf       5.68581062       6.94952716       9.17283619      -1.04485775       0.86143613       1.16753622 
Hf       6.82678404       1.90617448       3.82432798       1.23921156       0.39362324      -0.78985924 
Hf       4.45683248       4.74466874       4.15088791      -0.73830331       0.12124108      -0.26136389 
Hf       5.81214947      10.74188424       6.72689758       0.99620779      -1.93076465       0.84399854 
Hf       1.57043832       7.59740959       7.85056726      -2.25152154       0.18528542       2.01282053 
Hf       0.84402704       6.02793021       4.41935458       0.33274259       0.52370068      -0.00557666 
Hf       3.87610773       9.98345212       9.40425845      -0.18387829       2.00094870      -1.08656415 
Hf       1.66345813       9.57901039       4.74450296      -3.32309153       0.96337424       0.50661528 
Hf       5.61883446       4.45693399       1.02415636      -0.56655910       1.03614868      -1.78989606 
Hf       8.69755223       1.04864104       8.13066544      -0.87050712      -0.28749086       0.68569786 
Hf       9.15083088       8.65948787       9.91552625       0.65148311       0.10160477      -1.17732805 
Hf       7.59310775       5.24284996       4.30631400      -1.32042855       0.65002917       0.46263217 
Hf       8.82084968       9.44667458       5.27648775      -0.86724771       0.19771802      -0.25589694 
Hf       6.37506903       3.76619748       7.18920113      -0.30575667      -0.87637859       0.82605928 
Hf       3.17302808       2.03955315       6.88097781      -0.85138365       0.45341444      -1.18696289 
O       9.32109610       9.15048218       2.82900580       0.28661429       0.95795339       0.25207921 
O       4.10584215       0.53490069       7.66489220      -0.41294487       0.38774273       0.39804477 
O       1.85261277       5.70746428       8.65244100      -0.20375603       0.10322840      -1.02756200 
O       5.44045878       0.71388868       4.84942330       0.20761456       0.08084755      -0.32665175 
O       4.38993090       8.35896085      10.29530353       0.69914144      -1.89341786       1.42057652 
O       2.05888323       8.10832717       1.25402149       1.36052556      -1.73031664      -0.24650089 
O       5.42972422       9.32613997       8.15613142      -0.25136490      -0.22001800       0.80157729 
O       7.83227462      10.50662740       6.98465499       0.88262099      -1.42932327      -1.15174224 
O       5.70389547       8.96055435       5.49993254      -0.58700224       1.41994588      -0.90968816 
O       4.29722050       3.35083880      10.75535286      -0.12705897      -1.61584354       0.94996911 
O       3.35034082       8.78662445       4.38753273       3.45687827       0.24351705      -3.44656788 
O       7.86329624       4.84894671       6.35947137       0.79432809       0.74427035       0.20556504 
O       5.35403757       8.17057494       2.41798717      -2.60494739      -0.59317105      -0.83853531 
O       4.40672624       3.53080809       7.75347175      -0.43510587      -0.07430528      -1.11638014 
O       0.99349071       3.94144392       4.08638624      -0.41968568       0.02765315      -0.19346695 
O       6.75514877      10.17936083       2.52678399      -1.38447983       0.18054616       0.27524907 
O       7.70226544       7.24413367       9.17509116       0.61503620       0.72550943      -0.14998801 
O       7.69547196       1.36872960       9.88864568       0.57214855       0.27396647       1.30856105 
O       2.06456089       0.68687240       5.64065075       0.92760657       1.08711734      -0.25810309 
O       6.49950857       6.35053875       0.57871339       0.29661452       0.56663767      -0.08309131 
O      10.84507864       4.60812718       6.70086728       1.05452694      -1.34650977       1.17073609 
O       7.51782518       3.86296632       0.40601971      -0.17476633       0.30860892       0.20083936 
O       9.30044589       2.39007524       6.88714238       0.30250036       0.14451279      -0.13926436 
O       4.21566283       5.83958589      10.48768132      -0.13059803       0.11818301      -0.94254760 
O       9.95807451       0.51306844       0.72719945       0.58967227       1.01645672      -0.01519901 
O       8.49228013       7.66992347       6.07223666      -0.38281824       1.11033238      -0.46006531 
O      10.62789526       1.75955181       4.31098962       0.34797111       0.01802171       0.46822370 
O       8.32880078       0.52554349       4.36869434      -0.28761880      -0.17810106      -0.42893393 
O       1.12040376      10.72741933       3.19620891      -1.11328519       1.73708866      -0.66563433 
O      10.38095426       1.93398479       9.35309415       0.29095389       1.52064199       0.81614676 
O       9.98210615       4.37866406      10.73327232       0.58886961      -0.50214782       0.89522006 
O       1.98048465       9.50634213       8.94313227      -0.64138177      -1.07722066      -0.41750448 
O       2.32901710       2.66842293       2.05421162       0.37928137      -0.20798768       0.03854496 
O       2.93264237       6.07553873       4.87052156       0.36312080      -0.98222147      -0.47462473 
O       0.82676391       7.96539631       3.62287688      -0.10726794      -0.69481838       0.55212295 
O       5.60132944       6.26465602       4.89712453      -0.10228536      -1.71554675      -0.47661667 
O       4.59634966       6.65212655       7.64832169      -1.11648298      -0.13122139      -1.44491564 
O       6.16274398       4.37946298       2.91391015       0.04370084       0.08184856       0.45450790 
O      10.43113443       2.68367211       1.91560584       0.46974253       0.21617956       0.09243568 
O       9.65791834       5.64368348       4.73991995       0.29121212      -1.07746336      -0.12728023 
O       3.32238688       3.02151712       4.90965679       0.00512247      -0.27971218       0.65726506 
O       9.31346180       5.11858619       8.59773840       0.10900911      -0.44826035      -0.19228550 
O       0.63090438       7.01463081       6.14028434      -1.11465715      -0.28554164       1.06780353 
O       2.56768067       8.48406295       6.44968774       0.29665235       0.62595769       1.33020073 
O       6.39583823       4.89552398       9.03806574       0.83326431       0.70469171      -0.44377277 
O       6.57850098       1.78036075       7.25532267       0.66834754       1.27690241       0.60620450 
O       5.00732552       0.32852157      10.77314666       0.28300357      -0.06509033      -0.13607949 
O       5.93136200       3.65059166       5.16932807       0.04069368      -0.79874398       0.52607074 
O       9.82955917      10.33511338       8.83092308      -0.03663821      -0.21696112       0.45946023 
O       8.36811395       3.38082972       3.95088331       0.14526859      -0.20413220       1.00461716 
O       3.98317991       5.41406175       2.13916852      -0.10260975      -0.06540274       0.86980944 
O       2.51329973       0.51434092      10.53707701      -0.68807809       0.98121320       0.81680729 
O       7.44024528       9.42611209       0.21922796       1.29339826       0.08602476      -1.59341632 
O      10.64517880       9.74743426       5.51677434      -0.60678088       0.03518744       0.74865048 
O       1.59928661       4.16670856      10.49837103      -0.04171355      -0.86683890       0.28749036 
O       7.74430953       6.79190407       3.15526121       0.45895768       0.10349987      -0.21617641 
O       3.70591177       0.24990120       2.60205940      -0.02121385      -0.27988257       0.68346544 
O       5.70819535       1.92337595       2.09416510      -1.16934905       0.17373711      -1.26254787 
O       9.22844074       7.25233793       0.63053559      -1.20129423      -1.33555924      -0.90618803 
O      10.48420717       7.59918949       8.53034210      -0.74727962       0.03038003      -0.12054710 
O       0.50690539       5.83113356       2.26895862      -0.10953118       0.06966760      -0.34246106 
O       8.10797759       1.56352531       1.98282409       0.09170191       0.10665390       0.30198982 
O      10.74954731       9.18898524       0.18749025       0.42211234      -0.13721533      -0.73487321 
O       1.95503094       2.80011040       8.27651556      -0.00636332       0.61674323      -0.53527221 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.006104248129096156 0.017812198748568833 -0.004566156499242309 0.017812198748568833 0.004343732101473941 -0.005057219406905479 -0.004566156499242309 -0.005057219406905479 0.00524992103916737" pbc="T T T" energy=-935.44396969 free_energy=-935.44398371 config_type=amorph 
Hf       9.26565537       2.99683887       0.19854594      -1.00916160      -1.58033674       1.43908218 
Hf       3.64786964       7.63868559       1.41964692       1.05682571      -1.86122457      -0.26608545 
Hf       7.52398866       7.80179223       2.24833490       0.35096877       0.65714408      -0.86884074 
Hf       6.05248492      10.39121450       0.08902424       1.45885491      -4.70101804       0.39047189 
Hf       3.51559257       4.25118138       9.73510024       2.89164261       1.41012864       0.34365025 
Hf       0.49084742       4.00842964       8.12761903      -2.00165474       1.05108244       2.00262537 
Hf       0.51093951       0.88738725       9.75942685       3.83898402      -0.27012006       1.56293108 
Hf       4.53392470       7.50779303       5.73553352      -0.03607253      -1.39810117       0.13036838 
Hf       4.69921185       9.92623985       3.73309719       0.42296924       1.95783661      -1.17639803 
Hf       1.41837097       4.53795773       1.82967849      -0.15363154      -0.55632437      -0.79392085 
Hf       0.43503204       8.24859561       1.62385086      -0.30954666      -0.57189538       2.33089213 
Hf       2.07315305       1.30239114       3.86748246       0.25276970      -0.64829529      -0.21344364 
Hf       8.72214037       6.03716691      10.51418159      -0.69049029      -0.68017248      -1.70876927 
Hf       8.99532977       6.24536904       6.90731415       0.65474636       1.19141966      -0.09251712 
Hf       3.73822584       1.71858066       1.06909464      -1.77742624       0.08899535      -1.61545694 
Hf      10.09630640       2.87645722       4.92212608      -1.70640923       0.58360227       2.43555887 
Hf       9.96603331       0.01334844       2.17153188       0.23947992       1.83791083       1.68552231 
Hf       5.56411893       7.07026272       9.42175282       1.31435761      -4.53875588      -0.88469566 
Hf       6.99907245       1.52240011       3.05986624       1.28012063       1.43206185       0.80803762 
Hf       4.52995562       4.54643688       4.23519484      -2.07772627      -1.72793364      -0.99971816 
Hf       5.90098383       0.28644838       6.71847250      -3.63600837       0.82603406      -2.13388526 
Hf       1.35803727       8.04093684       8.00315854      -1.98931939       4.41756254       1.60405354 
Hf       1.17505969       5.69945924       5.28697586       1.19012724       2.62448115      -0.80044280 
Hf       3.37148912      10.21724216       9.24786375      -1.22894580      -0.73567109      -0.23534073 
Hf       1.29042222       9.14587343       4.82046949       1.66358071       0.00659693      -1.39808655 
Hf       5.95278508       4.75162854       1.19636215       0.94644483      -0.98188860       0.22137159 
Hf       8.48399857       0.99374844       8.12157595      -0.72849691       2.31094482      -3.30833155 
Hf       9.15881020       9.06571146       9.83397564      -1.23917370      -1.36860840       1.33186790 
Hf       7.36672209       4.81377123       4.57332570       1.94524223      -0.04083652      -0.07727922 
Hf       8.45157322       9.50404970       5.02918057       2.83203963      -1.16378558      -0.70167853 
Hf       5.91127545       3.98229587       7.62104454       0.59573990       0.35809392      -0.64811220 
Hf       2.77009331       1.96305867       6.83732492       1.01580197       0.12120567      -1.96958978 
O       9.60384692       8.92911085       3.06597544      -0.63624546      -1.36958905      -1.70037810 
O       3.90648068       0.44275721       7.51115134       0.61651199      -0.02225654       0.51191232 
O       1.90168060       5.00458624       9.11011562      -3.23219202       1.12099763      -2.94431069 
O       5.82770653       0.92151314       4.81564471       0.54363689      -0.77741167      -0.21948031 
O       2.84260806       8.17448204       8.98775409       2.73460359      -0.75884079       1.96862309 
O       2.63787020       9.16922623       0.92837023      -1.45577947      -1.46569519      -0.77327624 
O       5.06593250       8.80030542       9.44685035      -0.44598979       6.08970984       1.54770226 
O       7.68319342      10.44156653       6.63776293       1.73215396       0.50168983       1.83230207 
O       5.10530310       9.45017598       5.95456302       0.64451433      -0.62082481      -0.50718948 
O       5.02450082       3.07278955       0.29942749      -0.54119129       1.19875964       0.70360593 
O       3.81122207       8.22528515       3.33670121      -0.08012855      -0.13771839       1.94235747 
O       7.37559554       5.25572463       6.71877952      -0.40328289      -0.30140183       0.95246209 
O       5.70597892       8.59469927       1.55976152      -1.00767635      -0.24582501      -0.90853533 
O       3.91921639       3.42050169       7.87462312       0.38973273      -0.23849448      -0.18205837 
O       1.09653670       4.60947641       3.76803752      -0.84717080      -1.55914379      -1.91838211 
O       6.87043259       9.02757762       3.89197007      -1.08284849      -0.71079571      -1.41874251 
O       7.82227873       7.51342672       9.24630326      -0.25219972      -0.25532609      -0.66600350 
O       7.10634602      10.69418095       9.40012804       3.27315499       1.49138801      -3.62179484 
O       1.29631581       1.32023488       5.71513680       0.22934901       0.28772599       0.08735905 
O       6.83039031       6.51243383       0.43184808      -0.64754705       0.36266625      -0.19864500 
O       0.63355702       3.84485291       6.17690393       2.23083662       0.83127789       1.77469878 
O       7.65733845       4.16583104      10.68491993       1.39827019       0.73288675       0.12239447 
O       9.39916475       1.82514064       6.39364318      -0.74977931      -0.73932058       2.13825904 
O       3.97190525       6.21192971      10.50011988       0.22404028       1.31796405       1.46157314 
O       0.02901287       1.53427371       0.85722947      -1.42374622      -0.66347146      -0.99505424 
O       8.23665448       7.63807513       5.63344604       0.96607323      -0.68504643       1.11324778 
O       0.01401361       1.88223924       3.58384457       1.40640564      -2.29389851      -3.39698891 
O       8.51401511       0.16890948       3.66347555      -0.82293148       2.53508169      -1.36662170 
O       0.82888405      10.17381616       3.04008671       0.39973751       0.53378071      -1.01200723 
O      10.12063345       2.37442569       9.31111107      -2.44660293       1.77795422      -1.40794870 
O      10.21988221       4.37935062       1.04519989       2.47353677       2.01046726       0.58949974 
O       1.43385941      10.16069755       8.62595376      -1.04025364       0.20060018      -0.03815268 
O       3.50126836       0.22864954       2.35678572       0.07597609       0.94025142       0.88194790 
O       3.32420380       5.89782398       5.20875914      -1.96717615      -0.46580342       0.26798542 
O       0.96836887       7.32707845       4.01015981      -0.41732173       0.29509490       0.68088381 
O       5.82854074       6.17147543       4.49928487      -1.51573336       0.51757928       0.95941887 
O       4.94950518       6.65352941       7.38449276       0.58764171       1.01893899       0.52665016 
O       6.06374644       3.60119293       2.98163356      -0.96061671      -0.24783418       0.06179516 
O       2.78170180       2.78820444       2.79497067      -0.01851165       1.34156045      -3.95287842 
O       9.58946115       4.95466684       5.48120640      -1.20780711       1.05380216      -1.27852737 
O       3.60026862       2.78928856       4.98214549      -1.36901616      -0.69733724       2.32416143 
O       9.42532098       5.23875299       8.66883444       1.53671797      -1.30413107       0.10632569 
O       0.42173636       6.85602174       6.85422740      -2.40468737      -4.21755396      -1.96656743 
O       2.42937289       8.59997047       6.34496358       1.25885150      -1.87387687       0.36241766 
O       5.45735909       5.00175153       9.23030934       1.39482410      -1.20779851       0.25232756 
O       6.85527200       2.24441271       7.68740764       0.06581375      -2.00684393       0.67175374 
O       4.74166631       0.62998072      10.12131034      -0.36540670       0.18466552       1.06027850 
O       5.85625095       3.85412077       5.68041891      -1.26408783      -0.12498571      -2.71994269 
O       9.76085196      10.77499018       9.06447243       0.28714348      -1.18081770      -0.64892497 
O       8.18479971       2.96966148       3.97226774       1.35975539       0.65582473       1.35043001 
O       4.33471544       5.43887917       2.09340809      -0.25412392       0.04078964       1.52493737 
O       2.47087622       0.97662774      10.26598332      -0.12884355      -0.23154429       1.59069312 
O       8.16237101       9.41837183       0.60056171      -2.10192167       0.37577688       1.92300987 
O      10.59118045       9.60412191       5.64800974      -3.30086320       0.21744002       1.42553994 
O       2.28300165       3.59492826       0.22191154      -0.28090336      -1.08535460       2.63131729 
O       7.56589346       5.70134390       2.70071518      -0.00956744       1.28946529      -0.01562479 
O       3.07852409      10.57964415       4.75713282      -0.42414724      -0.26771114      -0.45349697 
O       5.86133683       0.36896955       1.79081412       0.09722742       2.27082553       2.89966686 
O       9.37836581       7.17910623       1.08135766       1.77737618       0.93812285       1.00321260 
O      10.41964938       7.59349022       9.46050754       1.18520797       0.80166176      -0.15271330 
O       1.79319242       6.53710154       1.78420336      -0.69559337       0.19675559      -1.75655684 
O       8.00908123       1.97676157       1.29590164       0.39376468      -1.60124517       1.14672984 
O      10.61155133       9.79073225       0.55703172       0.77045863      -0.82334415      -1.28435220 
O       1.42213867       2.33758918       8.28244607       0.32275779      -1.05508437       0.71898426 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010105228924084424 0.010242702525396882 -0.0038089036444389495 0.010242702525396882 -0.0022305707208581933 0.0031136606259483876 -0.0038089036444389495 0.0031136606259483876 0.014459337228646197" pbc="T T T" energy=-935.73857241 free_energy=-935.73858672 config_type=amorph 
Hf       8.68344754       2.25352033       0.27184441       1.32808056      -0.34805403      -0.87447560 
Hf       4.19962104       7.38502407       1.63247798      -1.93577256      -0.12506272      -1.59880031 
Hf       8.07576763       7.59341152       2.22464935      -0.30602625       0.94635432       2.33365707 
Hf       6.37901260      10.42188579       0.34423463      -2.43843110       0.12442673       1.24554470 
Hf       3.36402515       5.06610892       9.54000119      -1.64087807      -2.79444620      -0.19825913 
Hf      10.79210241       3.44775007       8.03951259      -5.77197367       2.81645256      -5.45417710 
Hf       0.26219994       0.40031632       9.51873662       1.48953913       0.32161593       3.26992153 
Hf       4.57145309       7.52386891       5.42912853      -0.15974742      -1.14669280       1.71602206 
Hf       4.54113745      10.32179295       3.58339273       0.50868600       1.34062383       2.51674049 
Hf       0.99659878       4.34661380       1.32477099      -2.37596190      -3.01137639      -0.29584176 
Hf       0.78228409       8.17764906       1.53984628      -1.37364640      -0.81355477      -0.36168742 
Hf       1.32711021       1.15925174       3.58536446       5.37541488       2.88580142       0.26704811 
Hf       8.82713464       5.52297028      10.51901897      -1.29975962      -3.49595076      -0.48785072 
Hf       9.48224426       6.44813463       7.45834067      -1.85848326       0.51100444      -2.72371163 
Hf       3.17643991       1.92386959       0.84664354       0.36903576       0.73389683      -1.39086481 
Hf      10.18654438       3.00294188       4.80065783      -1.34351331       3.21629162       0.07290021 
Hf       9.57387945      10.82055292       2.21014580      -1.22313449      -0.08057892       0.88348806 
Hf       5.61621080       7.62207720       8.96357676      -0.21786259       0.55141534      -0.97477759 
Hf       6.99155334       1.78825506       3.57132306      -0.92105971      -1.02267255       1.59581204 
Hf       4.68984530       4.27964752       4.39890890      -1.57889587       0.14213512       0.21957333 
Hf       5.67484873       0.04099938       6.92315087       0.94407526       0.78435362      -3.14580981 
Hf       1.66463713       8.12967827       8.12188427       1.23151278      -2.34343621      -0.29478517 
Hf       1.22417116       5.83590721       5.26417055       0.11348913      -3.36857678      -0.18657322 
Hf       3.71260939      10.45872229       9.34250192      -1.33180647       0.07886929       2.46499070 
Hf       1.32667541       8.99469728       4.87863669       5.54700922      -0.25485725       0.37038542 
Hf       5.75568043       4.62622626       0.94326256      -1.89079077      -2.92656015       1.52169810 
Hf       8.45345647       1.01339553       7.88462389      -1.83907395       1.89157890       0.26096803 
Hf       9.24355964       8.62579461      10.07461637       0.87902600      -0.08407831      -2.45657724 
Hf       7.76953266       5.31411297       4.84474443      -0.65288311       0.88637831       4.43058250 
Hf       8.61001184       9.43010538       5.06222951      -1.20571098      -3.45221111       2.13347786 
Hf       6.17771121       4.06432080       7.92857262      -0.38533900      -1.89918142      -1.63177496 
Hf       2.72927871       2.67000395       6.87195237      -0.13351373       2.10594991      -1.59714243 
O       9.73658148       8.87362072       2.84301800      -0.66898102      -2.00845076      -0.22340168 
O       4.06987763       0.67203783       7.78087691      -2.13722262       1.84118503      -0.83229491 
O       2.60562311       6.41755888       8.46239278      -1.81347832      -0.09883409      -1.29419325 
O       5.47676886       1.06278188       4.91425859       1.25061586      -0.54650162      -0.71055174 
O       3.59669959       8.45345799       9.02193188       1.78618158       0.90256209       0.14594076 
O       2.51214831       8.60972024       1.01669315       2.09711132      -0.31699481       1.46297902 
O       5.77694196       9.93633529       9.16571691      -0.26880542      -1.53733463      -1.47663855 
O       7.67830729      10.47890981       6.74446784      -0.01085593      -1.08253485      -1.35439367 
O       5.03026403       9.58247411       5.56361748       0.13267481      -0.79570970       0.63408230 
O       4.54123798       3.25149472      10.80935317       1.27637170       1.93083949       1.28916547 
O       4.21073687       8.07019191       3.59371767      -0.22831292       1.94877635      -3.16030047 
O       7.55782436       5.23218879       7.35847364       0.35749649      -0.17067200       0.29450238 
O       5.63237386       8.26483998       0.52535893      -0.56039723      -0.19305436       0.56371047 
O       4.00404681       3.75277326       8.05135102      -0.06204008      -1.11079470      -1.74929201 
O       0.49474366       4.43971623       4.01626674       0.36103837       0.91695453      -0.90604777 
O       7.16956956       8.62398029       3.94654533       0.86193222      -1.10970927      -2.83087968 
O       7.88216655       7.21400509       9.31132983      -0.01103930      -0.09094213      -0.17541488 
O       7.16536696       0.90033259      10.16181587       3.31166920       1.92312499      -0.47810114 
O       0.67155125       1.86745060       5.56445678       3.56242084      -1.99820800      -1.13172940 
O       7.27067520       6.02155840       1.16677140      -1.22519815      -1.01653847      -1.09010263 
O       1.41166923       4.41843059       6.73232815      -0.26282778      -3.06481012       2.17666892 
O       7.70754163       3.69729312      10.29942656      -3.01303337       2.73049692      -0.58542539 
O       9.49531630       2.22594571       6.67275429      -0.93814897      -0.28928440       2.12757189 
O       3.46166457       6.36703532       0.03099785       2.26896024       1.07379649       3.24084161 
O      10.33968510       0.80688797       0.68905996      -1.38499502       2.60428681      -3.30848143 
O       8.40206495       7.40266892       6.01517985       0.79800231       0.34247989       0.13142078 
O      10.55701830       2.18898392       3.01980757      -1.37734083      -2.35297468       0.57717491 
O       8.32121175       0.19170947       4.10245768       0.88468484       2.57415729      -1.55158531 
O       0.62671165      10.52073970       2.61369416       1.37047709      -1.78954343       0.96528194 
O       9.64485032       2.02248716       9.26579900       1.21081219      -0.50431978       0.01411086 
O       9.69829109       3.96418008       0.95835214       1.76390569       1.05641907      -0.93755620 
O       1.77080693      10.11687552       8.75743083      -1.88965940      -0.90294072      -1.29270396 
O       3.49259369       0.91250366       2.67219042      -1.64478398       0.79653784      -1.26512712 
O       3.21746708       5.61566896       5.40855583       2.93303106       1.25803276      -1.15145826 
O       1.54308864       7.30112002       3.97475765      -0.80063220       0.96607324      -3.50461832 
O       5.78528758       6.06137269       4.37073989       1.11131031      -0.60787587       1.28299748 
O       5.79340075       7.35588852       7.00408451      -0.99056461       0.69255893       2.22400379 
O       6.03005969       3.19460575       2.61567643      -1.17182454       2.37528190      -0.99819326 
O       1.92856899       2.79998946       2.12331324       0.26939937      -0.69843684       1.65813767 
O       9.68879286       4.90085250       6.08462496       0.58584087      -0.31452934      -0.38935273 
O       3.17693029       3.02483102       4.88007711       0.25338239      -0.69682037       1.82045095 
O       9.98599338       4.94514450       8.91936607      -1.03352722       1.46813197       2.07507244 
O       0.25842236       7.14511029       6.35698352       0.85009746       1.52860234       1.58308929 
O       2.73876782       8.39974549       6.37770647      -1.41117559      -0.20998519      -0.73223160 
O       5.37889647       5.63451398       9.25787256       1.08719337      -0.76761395       0.69360308 
O       6.57436145       1.98792799       7.72672830       1.38804708      -1.02746729       0.22036546 
O       4.43594495       0.52064759       0.19362811       0.63522036      -2.22833339      -1.66942237 
O       5.95409153       3.65775577       5.85206061      -0.87596209       1.94965119      -0.55171722 
O       9.37091215      10.09230399       8.66602796       1.18997698       1.51627344       0.71240940 
O       8.18689640       3.42660438       4.31514848      -0.43716232      -1.59253585      -0.62357746 
O       4.33258586       5.27765448       2.33257875       1.34506868       0.64154353      -1.23654381 
O       1.87552664       1.12319548      10.35275616       1.35244153      -0.98271210       1.37102986 
O       8.10901850       9.32005313       0.70699912      -0.18475113       0.72167025       1.40517539 
O      10.60891312       9.63992924       5.44063964      -3.72971050       1.97090298       1.28735347 
O       2.02805550       3.70824024      10.52617646      -0.87783551       1.92006130       1.11909659 
O       8.62390744       6.08928983       3.39141869       0.88137920       1.40093783      -1.61857961 
O       2.72568786      10.47997493       4.46503120      -3.23089524      -0.83581854       1.03152778 
O       5.87237232       0.12367199       2.27046950       1.46768555      -0.50400841       0.03183399 
O       9.49178407       7.05666079       0.49724898       1.40711516       2.31076865       3.43487319 
O      10.67533767       7.40341084       8.92603502      -0.22593506       1.89295922      -0.17677739 
O       0.97940925       6.15902557       0.96450064       0.11455316       3.79092336       1.10124290 
O       8.02544220       1.41012404       1.86412953       0.09685388      -0.48724071       0.73233472 
O      10.84459227       9.49430253       0.16095774       0.57851042      -1.89359583      -0.43096371 
O       1.28367325       2.40799367       8.37597722       5.64115970      -5.45235543       0.42859079 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0036301089059057132 0.003288883798197538 -0.00021998172075686303 0.003288883798197538 0.022206891430131145 0.003934054184895518 -0.00021998172075686303 0.003934054184895518 0.00686815762203887" pbc="T T T" energy=-936.75305403 free_energy=-936.75306638 config_type=amorph 
Hf       8.94344787       2.44696616       0.20620325      -1.12892220      -0.67028778      -0.77666074 
Hf       3.81287463       7.21220630       1.42827338      -1.01240090      -1.01446256       0.99947040 
Hf       7.67562284       7.81277160       2.41659875      -1.02625335       1.77970110       1.74395509 
Hf       6.18728739      10.74044110       0.14101579       5.85040624      -0.36129904      -2.31472430 
Hf       3.46323863       4.38986490       9.72720777      -1.30156047      -0.17829686      -2.49287023 
Hf       0.15449657       4.32587641       8.09233108       2.10978806      -0.02495968      -0.30356419 
Hf       0.24049329       0.81237934       9.49292909       5.45059693       1.14638904      -0.56745570 
Hf       4.73077184       7.46372933       5.40318183       0.77521738      -1.84245848       0.51098659 
Hf       4.98769851      10.07961388       3.47878288       1.02435819       1.30686505       1.15486542 
Hf       0.92316765       3.96166792       2.00478695      -0.71026576       1.04737801      -1.73990864 
Hf       0.35680478       7.88060280       1.99840590       1.41608865       1.61216511      -0.71813760 
Hf       2.11322030       1.03183170       3.66490512      -0.89196202       0.73164788       0.39174739 
Hf       8.87185667       5.46061709       0.29982896       2.62810555      -0.29612179      -2.38441838 
Hf       9.15064155       6.81545933       7.58215911      -0.57088065       1.38843500       3.43125087 
Hf       3.23210808       1.77150597       0.82990324       0.67981302      -1.32680654      -2.25721642 
Hf      10.40314141       2.84362585       5.10106858      -0.23180321      -1.17778730      -3.32933760 
Hf       9.86816689       0.12022282       2.28095631       2.40141536      -0.91105409       0.67083470 
Hf       5.48958154       7.37077346       9.38568842       0.78696428      -0.30900541      -2.39056139 
Hf       7.12911713       1.77801935       3.25520423      -0.50377125       0.79511247       1.45411919 
Hf       4.25831944       4.13233830       4.02866101       1.14872460      -0.93668017      -1.18246212 
Hf       5.76418042       0.37734404       6.59124342      -1.04233734      -2.55712690      -2.55032128 
Hf       1.57393179       7.92501347       7.89234287      -0.35309118      -0.05565853       2.82283777 
Hf       0.88760362       5.76918346       4.92287582       0.66835897      -0.24144495       0.84088411 
Hf       3.51741644      10.29863915       8.99141139       0.25277910      -0.69427597      -0.06387090 
Hf       1.40960348       9.27361320       5.02649861      -3.85744838       0.30714896       1.60959323 
Hf       5.68679865       4.57891325       0.85828112       2.72013408      -1.15028363      -1.71046130 
Hf       8.43642479       1.27949996       8.01009391      -0.79645562      -0.53979502       0.61999785 
Hf       9.10628147       8.78146725      10.25072492       2.18108889       0.82908081      -1.47059949 
Hf       8.12827845       5.46754312       4.93168413      -1.52620724       0.26214233      -0.58635715 
Hf       8.61064075       9.57210845       5.18693405      -0.85873040      -0.56604058       0.03122094 
Hf       6.17351328       3.95757724       7.21479945      -0.22409606       3.67963833       7.09582882 
Hf       2.58579559       2.43249366       6.67741102       1.11127965      -0.61827315      -0.30795727 
O       9.36172778       8.98876526       2.85070854       0.21176474       0.04205653       0.03962177 
O       3.83117031       0.64757378       7.29678431       0.28056789      -0.23515705       0.79839410 
O       1.62340011       5.46270889       9.07402961       1.16518846      -1.99258538      -0.88988796 
O       5.90459216       0.90099418       4.57033977      -0.93456002      -0.64468376       2.46016257 
O       3.56970600       8.00279333       8.91126310      -2.49745072       1.94011796      -0.31000566 
O       2.19899360       8.15605944       1.07419854      -1.44527403       0.44396749       0.43769366 
O       5.57674304       9.66723440       9.03360062      -0.54489525       0.31801631      -0.40198623 
O       7.74591193      10.62476037       6.78993787      -0.54490857      -0.01615169       0.22890487 
O       5.25074047       9.36645334       5.66565383      -0.72415866       1.23335015       0.75263338 
O       4.69120854       2.92918321      10.83679805      -1.04991171       1.75271241       0.03908668 
O       4.59645757       8.27620800       2.96040633      -0.41580862      -1.72077562       0.53960571 
O       7.69559290       5.46266275       7.09645544      -0.32109280      -2.77532974      -1.17700429 
O       5.36403585       7.86830884       0.57368331       1.33979918       2.10174270      -1.83323450 
O       4.03998561       3.50371147       7.74102797      -0.71835031       0.64394802       1.34123600 
O       0.04331645       4.45096092       3.68556271      -0.00928977       0.00238111       2.33689040 
O       6.95692990       9.04634350       4.03092434       0.17393268      -1.34530786      -2.89843781 
O       7.58342963       7.77475620       8.96077853       1.98777602      -0.62148529       0.91424963 
O       7.35247615       1.42799850      10.05962525       0.64038863      -1.32651378      -0.13838231 
O       0.94285653       1.44508674       5.43195640       3.67135907      -1.47067672       0.42139601 
O       7.26522476       6.16297381       0.97195451      -2.26981972       1.24152688       2.14770377 
O       1.40505434       3.93143371       5.96430954       0.45603472       1.10987134       0.47554672 
O       7.61385253       3.94621910       0.02035416       0.02588789      -0.87818539       0.65203243 
O       9.46583856       2.07472776       6.58578603      -0.94315699      -0.32658983       1.66757650 
O       4.36528522       5.96546455      10.50470941      -2.70369143      -0.35420078       1.12560388 
O      10.67869294       1.17812563       0.49257022      -1.18125966       1.24407271       0.86608181 
O       8.51449746       7.45562506       5.95839706       0.00244168       1.20919731      -2.94896260 
O       0.11101868       1.80378226       3.22675893      -0.35672832       0.34707004      -1.39202048 
O       8.47084695       0.33985355       4.03545134       1.63371504       0.63028754      -0.68657281 
O       0.96127435      10.26942326       3.12312670      -1.38046437      -0.28951983      -0.09101809 
O       9.78347597       2.65165561       9.20399286       0.48124187      -0.91672988      -0.77004032 
O       9.97061491       4.00378897       1.15382790      -0.69550923       0.09702533      -0.78287543 
O       1.34302738       9.93983332       7.95801138       2.91814570      -0.03172503       1.05386794 
O       3.91648656       0.41024121       2.19755687      -4.09601572       1.49024953       1.61934217 
O       3.35238681       5.80664758       4.57807330      -1.46151355       0.27745940       0.19791879 
O       0.65737697       7.72087173       4.13109611       0.19140688      -1.97241360      -0.60945636 
O       6.40843660       6.25479171       4.36204167      -1.28437247       0.35960465      -0.09319366 
O       5.23592870       6.78126027       7.08664780      -0.43322704       0.60452969       0.11230228 
O       5.65253478       3.25132894       2.73175342       0.60739335       0.84814237      -0.90380822 
O       2.40324987       2.75093270       2.47637334       1.95108932      -1.51480358       2.17443144 
O      10.00927018       4.62712571       5.92225959      -1.35470776       2.03280902       1.04741783 
O       3.54603240       2.40100727       4.82383160      -0.81878509      -0.12237177      -0.23702548 
O       9.75682056       5.39401211       9.13474143      -1.40152121      -0.06019023       0.92479734 
O       0.29478347       6.40652762       6.95781437       1.02180126       0.37228002      -0.59062336 
O       2.53460274       7.97685010       6.14276968       0.02447363      -0.34415986      -0.33499416 
O       5.89796880       5.11475563       9.21944603      -0.13649805      -1.14177307      -1.04271796 
O       6.56560221       2.03322172       7.42353723       0.81595179      -0.24014843       0.21576404 
O       4.46697156       0.25556268      10.64590194      -4.54109371       1.37108998      -0.99955483 
O       5.50279340       4.11862845       5.58846226      -1.07993665       0.05316552      -4.46487849 
O       9.51159867      10.74388756       9.13348839      -2.73604385      -1.16663733      -0.66565707 
O       8.21839842       3.22518617       4.14689125       0.74115012       1.65752607       1.08106011 
O       4.13579420       5.14298521       1.81303948      -1.30057539       0.67109505       3.20256531 
O       2.23532474       0.62002554      10.20100158      -0.70681906       0.03746073      -0.39489519 
O       7.58596296       9.31482330       0.67768976       1.35654234      -1.15541179       0.07899039 
O      10.36898990       9.55492044       5.95077991       2.01178155       0.00547201      -1.09387461 
O       1.94684915       3.38024521       0.28634492       1.47191704       0.80035885      -2.64830740 
O       8.78604527       6.55434438       3.37691372       1.11595045      -1.11207493      -0.35471851 
O       3.02218620       9.97144444       4.35384978       2.52393822       2.94406904      -0.25666876 
O       6.13724988       0.39206777       1.96660957       0.77560286      -0.48876846       2.03012556 
O       9.87272124       7.24367890       0.61385804      -1.75194370      -1.08682373      -0.33196327 
O      10.49961973       8.37443355       8.66600940      -1.79159920      -2.74164172       0.57592978 
O       1.08364901       5.96827396       2.13224499       0.59927148      -0.26621903      -0.37668230 
O       8.40604576       1.43023806       1.79052230       0.76140195       0.10482329      -0.93045060 
O      10.60263901       9.55752478       0.61353387      -0.97936153       0.42338143       0.62666339 
O       1.25984614       2.34979423       8.07343992      -1.60308501       0.46606452       2.26860464 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.003534519101378714 0.01392930922238558 0.01102005865070229 0.01392930922238558 0.008966152079305139 0.01413718518042677 0.01102005865070229 0.01413718518042677 0.014745184059797262" pbc="T T T" energy=-935.30688512 free_energy=-935.30689239 config_type=amorph 
Hf       8.77788106       2.42166726       0.02956025      -0.35207303      -0.14813647      -0.47502197 
Hf       3.72013372       7.29985808       1.55620476      -3.94357284       1.07756383       2.78051298 
Hf       7.90851939       7.82250791       2.13449899       0.69270659      -0.71968912       0.02208050 
Hf       6.04670868      10.60088929       0.07340725      -2.07261104       1.52240913       0.42457526 
Hf       3.66455370       5.08871501       9.22593585       0.56361422      -0.43841484      -0.33493069 
Hf       0.49766305       3.74000346       8.42718928       1.01394041       0.73577720       0.27856491 
Hf       0.60341064       0.44184397       9.40882474      -0.17196357      -0.87976943       2.38808201 
Hf       4.26146105       7.29103793       5.43314821       0.51404128       2.45981694       2.23713595 
Hf       5.03808778       9.72547433       3.38422711      -1.59277161       4.58474585      -0.51440133 
Hf       0.64897523       4.60167134       2.18114313      -1.78669221       2.52559461      -4.31326455 
Hf       0.37440056       7.82749499       1.85921355       0.33384262      -0.66705834       1.60347908 
Hf       2.41835161       1.60089248       3.16217096      -0.37345895      -0.82198121       2.45643363 
Hf       9.11251281       5.71653412      10.66729148       3.89778048      -2.19363245       2.22871307 
Hf       8.86824302       6.31081304       7.28472615      -1.33580445      -0.71187955      -0.34363206 
Hf       3.11579355       2.60612261       0.33098260      -0.32231157      -2.17016342       0.32207764 
Hf      10.33887945       3.03834741       5.18039993      -2.12515710      -0.62179954      -0.78413469 
Hf      10.16275212       0.17895628       2.58059550      -2.02678812      -0.60753693      -1.26683197 
Hf       5.98466250       7.62921526       9.21395075      -1.75917113      -0.39920093      -0.08130546 
Hf       7.14429660       2.09918074       3.24989547      -0.68784965      -3.43041849       1.45646910 
Hf       4.39504848       4.25520095       4.24043347      -0.11152270       0.44814661      -3.12162566 
Hf       5.87029257       0.41638461       6.48945612       2.02914937      -3.26494103      -5.72626545 
Hf       1.43619994       7.37959980       8.31868200      -0.93915969       2.25436706       1.73805276 
Hf       1.09094046       6.23228984       5.48739680      -4.64662649      -1.00487760       0.61008645 
Hf       3.00201507       9.90162370      10.72588174       2.59914674       0.91337480       0.84294371 
Hf       1.45441757       9.56058736       4.97457925      -0.64090678      -0.11841415      -3.03462077 
Hf       6.02002385       5.12967716       1.08751170       0.08045730      -0.78561265      -0.58832454 
Hf       8.69210266       0.67753626       7.81156252       0.05322816       1.64283589      -0.92978072 
Hf       9.08833623       8.93911661      10.06959671       1.70621523       0.91127953      -0.10401463 
Hf       7.45704094       5.27435317       4.55125287       0.93115605      -0.65433013       4.04376970 
Hf       8.59483432       9.16053962       4.97841643       0.23710720       0.73727871       0.26546103 
Hf       5.97329622       3.60075997       7.41051090      -1.12507389       4.39222539       1.19076885 
Hf       2.72639168       2.09341449       6.77666304       0.97134036      -0.87183443      -2.70466163 
O       9.31129270       8.10986540       3.48918501      -1.47830952       0.33210261      -0.69889816 
O       4.51293979       1.21752424       7.31932342      -4.04999495       0.98518034       1.70288314 
O       1.48028003       5.60252245       7.61964852       1.91110676      -0.94107983       1.25535289 
O       5.76835111       0.77324953       4.44701181       1.22959667       1.26122613       0.18921245 
O       2.74789422       6.76632995       9.83586498      -0.67587795      -0.10066991      -1.91764307 
O       2.19878754       8.56528873       1.23114083      -1.01649541       1.84782623      -2.59981285 
O       4.78766406       9.27711622       9.52825798       0.82588679       0.27143989       0.18860577 
O       7.74401955      10.14026740       6.75392981      -0.73368357       0.50513202       0.33737319 
O       5.02551372       9.56927472       5.52475821      -0.78837466      -1.51103533      -0.19360173 
O       4.49354197       3.95684400      10.64333865      -0.21653963       0.60585007       0.42127068 
O       3.59613668       8.08898265       3.54320833       1.85887239      -0.87468248       1.61700603 
O       7.50148526       4.79856309       6.62497653      -0.21299343      -0.13694931       0.76748941 
O       4.70359847       9.29064846       1.12470408      -1.47894735      -2.04624581       1.12501417 
O       3.67968790       3.47401509       7.74710396       0.70590358       3.03279764       1.51447472 
O       0.67517901       3.98969090       3.90151748       0.55522112       1.81390906       2.55714029 
O       6.52231637       8.48534476       3.42383242       2.14652197      -1.38045456      -0.19735738 
O       7.95736108       7.74320967       8.69900970       1.28389054      -0.62989511      -0.95707323 
O       7.63952913       0.69490416       9.94128102       0.73822082       1.11958813      -1.76656158 
O       2.14615362       0.46175791       5.23060051      -0.33020747       1.92051413       2.08775418 
O       7.44312037       6.58332598       0.05849365      -1.52744420       0.25711452       1.59744667 
O       0.96011261       3.48607976       6.36521026       1.46389577      -1.68191124       2.27761046 
O       7.30437812       3.81680973       0.20333967       1.65585839      -0.06935945      -1.14424880 
O       9.32228021       1.56939394       6.16200043       1.51886621      -0.03619559       1.28637612 
O       4.88116449       6.69854554       0.25197824       4.18642788      -0.88138771      -4.58350366 
O      10.13873719       0.09761238       0.27013974       0.00657280       0.95853688      -0.08788589 
O       8.20974351       7.05548743       5.50451012      -1.17318668       0.64106552      -0.21518549 
O       0.11505052       1.77328229       3.41297714      -0.03201322      -2.40528547       0.40446339 
O       8.45119965       0.07766935       3.75563413       1.73751505      -1.01225673      -0.19950973 
O       0.65365584       9.55233337       2.99281441      -1.24817996       1.95603527       0.60645411 
O      10.12570891       2.18348192       8.99983951      -1.92586134      -0.98557054       0.78708123 
O      10.03916318       3.79810379       0.80567792      -0.83437188       0.59777821      -0.93281151 
O       1.99575500       9.65850480       8.99670484      -1.63490668      -0.18650293       0.46594070 
O       3.85853627       2.42905783       2.20570576       0.50337623       0.42640614      -0.73527106 
O       2.88319805       5.69998371       5.27263754       3.85433828      -1.03481311      -1.32141895 
O       0.61914281       7.05114576       3.82941658       0.62296402       0.15057643       0.43334012 
O       5.43276096       5.72919460       5.07666782       1.76975945       1.57600089      -0.82788618 
O       5.16518767       7.52235901       7.37534758      -1.06414731      -0.32209095      -0.88155037 
O       6.11996622       3.69711117       2.78262014      -0.54908175       0.08209241       1.26641774 
O       1.50544963       3.00343259       1.62680043       2.18547129      -1.42306479      -0.05693023 
O       9.99348427       5.26920812       6.06794058       1.53618194      -2.88864059      -2.43641433 
O       3.32525535       2.81681443       4.77195425      -3.53224228      -2.40611145       0.30896000 
O       9.95671714       5.08757086       8.94743356      -1.80705231      -0.59906978      -0.66486180 
O      10.56156516       7.24408080       7.26133460       1.44875677       2.23713366       0.52966847 
O       2.05086732       8.02635186       6.17235794       0.99920228      -0.68344618       1.23858680 
O       5.77630166       5.35389655       8.67123033      -2.04219968      -0.07580214       0.99844195 
O       7.04230119       2.13178956       7.27039434       2.75481235      -5.23526778       1.33588910 
O       4.28313306       0.89649215      10.72864317      -0.26893685      -0.03025788      -0.42963516 
O       5.44780951       3.33761369       5.65332154       0.50639386       0.17794197      -2.42987835 
O      10.04607901      10.08538642       8.52562403      -0.99036596       0.47482867       0.55316460 
O       8.47248724       3.32090596       4.29282096      -1.31034100       1.25376610      -0.80547163 
O       4.44206869       5.53001790       2.21431909      -0.85254839      -1.22515490       3.14038284 
O       1.78292610       0.73525443       0.21825175       0.50035368      -0.36280567      -0.94810846 
O       7.22989848       9.06048011      10.68072036       0.41957939      -1.63741484       0.60684881 
O      10.42860284       9.66226240       5.51495535       0.04489685      -0.17240493       0.07873037 
O       1.70602115       3.84080327      10.04026977       1.59059762       0.44260241      -1.56085036 
O       7.30416979       5.86582659       2.74888617       0.05421386       2.02213938      -2.59290204 
O       3.00299410      10.55399024       3.02106832       0.87592027       1.80989284       0.02214485 
O       6.25316478      10.84648323       1.98209704       0.22046136       1.12186638       1.05177973 
O       9.83614540       6.25725828       1.68401541      -0.48716701      -0.98198756      -0.34798914 
O      10.52931058       7.22349898      10.27324839      -0.57525472       1.95325521      -1.01163595 
O       1.74663947       6.28682526       1.72657496       0.61398947      -2.05707936      -0.29411011 
O       8.17232803       1.67146676       1.66073687       1.36288910      -0.10253348       0.90429270 
O       9.50039176       8.82203096       1.22167930      -1.08525363       0.32610508      -0.80799130 
O       1.53327362       1.73489169       8.28040605       0.71373984       0.27618056      -0.56275041 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.011661025200000223 0.006730680694002049 -0.007228030205694536 0.006730680694002049 0.009118827369172907 -0.002098225636522782 -0.007228030205694536 -0.002098225636522782 0.013565142592798469" pbc="T T T" energy=-934.70972492 free_energy=-934.7097455 config_type=amorph 
Hf       8.84148144       2.33312852       0.31675327      -2.49501943      -0.82004418      -2.54885589 
Hf       3.78620141       7.31333658       1.34666252      -2.52494853      -2.46566484       0.98694141 
Hf       7.43854898       7.74023220       2.36397557       0.60698541      -1.59639631       0.64026758 
Hf       6.04138211      10.33296501       0.30359644       4.51277134       2.00700447       1.21753855 
Hf       3.58417243       4.70586571       9.67849853       0.45600966       1.83569684       0.89372645 
Hf       0.77679142       3.82554259       8.47993970      -0.98765653      -0.59397862      -0.05001047 
Hf       0.33019236       0.63699675       9.79973565      -0.66867071       0.09916036      -1.04316064 
Hf       4.14766748       7.48010648       5.33546711       1.66199730      -1.33084108       0.15120060 
Hf       4.90078269       9.88553490       3.25393176      -0.53904977       1.44159650       0.49561240 
Hf       0.99780786       4.04217262       1.47025244       3.24433491       0.68659213      -0.35991042 
Hf       0.11495194       8.26440290       1.98706817       1.86542446       1.67554863      -0.04403575 
Hf       2.33651277       1.61795651       3.38370937      -0.54712109      -0.51986303      -0.00500297 
Hf       9.05890930       5.56744239      10.74010695      -0.20938226       0.50466778      -4.40412065 
Hf       9.38551483       6.43279622       7.49771528       0.14943152       1.60127840      -1.04917812 
Hf       3.43362041       1.88120083       0.65246501      -1.05033289      -0.71936105      -2.37899483 
Hf      10.34796818       3.45835468       4.95792505      -1.71791034       0.15314561      -0.00240311 
Hf      10.03320542       0.67462165       2.69341743      -0.03977335      -1.47538484      -0.39554774 
Hf       5.64810137       7.44900365       8.72746835       0.77097221      -1.95144146       0.20549209 
Hf       7.16356860       1.84887351       3.54097279      -2.81714145      -0.80842445       3.02708225 
Hf       4.35464718       4.29729682       3.82749619       1.85598036      -0.40964522       1.05861081 
Hf       5.41123714      10.25978390       6.74409894       2.92369040       2.91399273      -1.02915198 
Hf       1.61006524       7.66743215       8.45090718       0.65027259      -1.84453663      -1.78449696 
Hf       1.25144875       6.18261666       5.13891505      -3.38328591      -0.92012508      -0.20825557 
Hf       3.48744246      10.21917741       9.30763508      -1.18578682       0.39959726      -0.28847418 
Hf       1.11988809       9.52154516       5.09104957      -3.76442038      -0.85283771       1.44819260 
Hf       6.08149290       4.65207222       1.17648165       0.57689299       1.17496519      -1.03965998 
Hf       8.67549037       1.23411450       7.74825104      -3.35882402      -2.38677582       1.88715565 
Hf       9.03123622       8.82500647      10.26116483       0.19179238       1.08626346      -1.28655889 
Hf       7.47809979       5.46928839       5.09195564       1.31557907      -0.85341832      -2.95020254 
Hf       8.46633581       9.27892804       5.00112252      -0.22716244       1.19114760       2.25557929 
Hf       6.00712573       3.83373556       7.28863857      -0.38334063      -2.13354880      -0.28802334 
Hf       2.55365294       2.02614022       6.72902977       0.54297755      -0.69492463       0.75503843 
O       9.14639421       8.20780760       3.25703299       0.63015387       0.77131115      -0.82032939 
O       3.52051387       0.31678247       7.50588426       2.19460291      -1.70696062       1.68627671 
O       1.99980703       5.48692097       8.57342785       0.13340030       0.79755646      -0.10649055 
O       6.26014336       0.57279049       5.05992079      -2.18625188       0.67278575      -0.65096578 
O       3.81503591       7.87081948       8.94579013      -2.78900419       1.11107367       0.58194411 
O       2.07573675       8.32813323       1.30216837      -1.55548016      -0.67866283      -0.13691092 
O       5.69368615       9.41623606       9.38909732      -0.31549857       0.80518929      -0.42922450 
O       7.33095298      10.20363262       6.88003102       2.79729630      -0.36670856       0.17343774 
O       4.52397235       9.44772765       5.24829714      -1.92164154       0.65377490      -2.55826378 
O       4.64766226       3.34047673      10.70750833      -0.07455400       0.98712690       0.29450563 
O       3.87651929       7.91911434       3.26732590       0.22957359       0.88540279       3.03005022 
O       7.58140644       5.17086023       7.37352436      -0.32943462      -0.21203737      -2.14582485 
O       5.10725573       8.79668048       1.32858570      -0.11066672       1.88848125      -0.15427952 
O       3.89833146       3.23733694       7.55937215       0.63133416       0.00629440       0.76012925 
O       0.85982446       4.77796596       3.35631269      -0.40807439      -0.34474597       1.46845693 
O       6.57842433       9.07779557       3.56651542       2.32149732      -2.31111917       0.96385995 
O       8.35006362       7.42241946       9.01173265      -2.51049231      -1.13666090      -0.63811457 
O       7.74808537       0.77415539      10.62682048      -1.51510838      -0.96435629       0.71600696 
O       1.95132414       0.26712775       5.46475738       1.72700633       2.67433832      -0.71978289 
O       7.47467635       6.15537457       0.59110940      -2.68666691       0.96588528       1.34226698 
O       1.28342681       3.86076041       6.38917687      -1.41808538      -0.56177035       0.72164876 
O       7.43757147       3.81955780      10.60697276       1.34315895      -0.22507669       1.29215287 
O       9.67584925       2.12208137       6.50634189       1.53261417       2.65413354      -3.96671883 
O       4.85683625       6.26341992      10.80987438       0.23391914      -1.38841385      -1.52761131 
O      10.38526174       0.97088310       0.67895572      -1.38390805       2.74031390       1.09497986 
O       8.20731027       7.34534287       5.47472493      -0.31002265      -0.73199829       1.53881367 
O       0.38152298       1.88769055       3.75613928      -1.61570062       1.30990143       0.66208347 
O       8.37863659      10.83851455       3.83634804       2.33281493       2.65879902      -2.09287746 
O       0.48845761      10.20955802       3.23165993       1.55271546      -2.11966346      -0.10311289 
O       9.78651022       2.34941903       9.08954096       0.85646099       0.23142018       2.37302256 
O       9.95613589       4.12132311       0.74896352       1.66989665      -0.72898413       1.04195967 
O       1.65714309       9.39556000       9.38159329      -0.24699708       0.74148866      -0.91199463 
O       3.44877882       3.03007389       2.18117223       0.25777415       2.15197859       4.85307475 
O       3.13091734       5.61172495       4.95107523      -0.70735286       0.76807231      -0.24148453 
O       0.82607344       7.76837114       3.94427733       1.08071356      -1.45169920       0.22972782 
O       5.53189714       5.93433024       5.16163210      -0.67789943       1.25604596       0.18247751 
O       5.62122438       8.21572829       6.91532061      -0.77215825      -1.57445420       0.26819540 
O       6.02715246       3.38099517       2.73652729      -0.40785113      -0.18214811      -1.13736159 
O       1.51390609       2.02623847       1.35545465      -0.40949410       0.83940452       2.70595683 
O       9.90280987       5.30273051       5.56923673       0.85952881       0.28887723       0.96959284 
O       3.05818665       2.61846640       4.92888471       1.75004149       1.40415080      -2.86087307 
O       9.96081628       4.96380420       8.56795940       0.59218554      -1.36102942       1.75858816 
O       0.23581073       7.28366006       6.65029975       0.58676647      -0.30089325       0.06276734 
O       2.49861889       8.05948450       6.55876563       0.73817885      -0.29218393      -2.52287231 
O       5.06342023       5.40998670       8.24191981      -0.08402969       0.63714971       1.15466671 
O       6.75105548       1.93818132       7.87290662       0.46081331       2.04407301      -0.68610546 
O       4.64875690       0.65242408      10.50130909      -0.38043457      -0.93982730      -0.52734683 
O       6.18159367       3.60701508       5.13367892      -0.54224480      -0.05820836       2.12207205 
O       9.59985124      10.70868136       9.02481598      -1.28003932      -3.54195781      -1.32782844 
O       8.60414441       3.90767369       3.91395257       0.63517464      -1.30492018       2.71028116 
O       4.70776634       5.63605330       2.42599960      -1.12715386      -0.49350478      -0.08544696 
O       2.16738714       0.68681758      10.24696883       5.03682453      -0.56728608       1.64109189 
O       7.45336932       8.80075368       0.75253559       1.73077369       1.77164724      -3.18545498 
O      10.17142320      10.18581863       5.83705658       0.58436719      -2.52344171      -1.05367079 
O       1.78256426       3.62971161      10.32331121       0.05637800      -1.14211624      -2.11354728 
O       7.16494356       5.90583804       2.95733365       0.18727833      -0.30879027       1.43845225 
O       3.44219965       0.29644818       2.43704041       0.23530140       0.08698303      -0.21656954 
O       6.21053640       0.58536704       2.30046693      -1.28844560      -1.17094400      -1.64232939 
O       9.78598097       7.20221780       0.74326361       0.41694362      -0.41851741       0.59408701 
O      10.72364371       7.35748169       9.11410381      -1.60678614       0.41163005       1.01284405 
O       2.38555411       5.40474330       0.90611024      -0.07542959       1.01128672       0.02240389 
O       8.72476490       2.08417301       2.34014824      -0.47341196       0.86173474      -1.82176578 
O      10.25496758       9.65704950       0.58060728       1.92900227      -1.32158623       2.23915777 
O       1.38076898       1.72514930       8.31588378      -1.41979791       1.92530897      -1.15273457 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.029417506726858864 0.0007339865684800786 -0.009006542345371864 0.0007339865684800786 -0.00015661890002782895 0.0010096148820298652 -0.009006542345371864 0.0010096148820298652 -0.024092558996851393" pbc="T T T" energy=-932.67189905 free_energy=-932.67201045 config_type=amorph 
Hf       8.85249793       2.59296503      10.82862397      -1.46552804       0.81971665       1.19571932 
Hf       3.38012796       7.44716285       1.50186910       0.35054973       1.58242175      -0.20728955 
Hf       8.12619033       7.39928629       2.67543842      -3.67480074       3.23294658      -2.48152264 
Hf       6.66846440      10.57521486       0.02079656      -3.33290348      -0.24388898       1.68292885 
Hf       3.50220874       4.74555147       9.60096890      -2.23318142      -1.19853562      -2.83624589 
Hf      10.59820354       3.65747720       7.61032899       1.27144438      -0.55592143       1.20156936 
Hf       0.35177058       0.63783779       9.55017969       4.20182054      -0.15414918      -0.92201152 
Hf       4.43761422       7.55269266       5.72028912      -1.56135902      -0.94904761      -0.11892171 
Hf       4.76920238      10.19608582       3.32716216       0.92256034      -0.77663972      -0.30768350 
Hf       1.09351994       4.06421875       1.38268328      -3.30159756       0.47495922       1.11993805 
Hf       0.35621626       8.07538961       1.94641978       1.24540161      -2.09793730       1.56828959 
Hf       1.81898855       1.43620808       3.47228133       0.10355109      -0.71496523      -1.67077444 
Hf       8.85776099       5.69646766      10.45794758      -1.84911733      -2.67109886      -1.39495650 
Hf       9.21774690       6.64928555       7.43633319       1.55761873      -0.88491230       0.61262702 
Hf       3.69824794       1.91140160       0.82649293      -2.30733855      -0.22721046      -0.71823559 
Hf       9.93936378       2.87173373       4.52868195       2.84078127       1.33663114      -1.25175302 
Hf      10.07538402       0.32062780       1.99028100      -1.09684677      -0.74919776       1.55833515 
Hf       5.24300933       7.49770540       9.33715798       0.89119405       1.18234816       2.87987464 
Hf       7.31267564       1.51591810       3.39188171      -0.68676837       0.58153746      -0.45790845 
Hf       4.81576565       4.54818627       4.41038896      -4.08551653       0.88732343       0.98932404 
Hf       5.52585091       0.13802182       6.42685855       1.93274344      -0.50608166       2.42041252 
Hf       1.36402575       7.86201334       8.16812629       1.99097149      -1.49671457       2.60098748 
Hf       1.25679670       5.65651157       5.05421795      -1.30933962       1.03268106       0.93369429 
Hf       3.48813064      10.42822634       9.46315899      -1.61656120      -0.86267379      -0.28381782 
Hf       1.23114898       9.24491668       5.28013570       6.54595570      -3.92634360      -4.96647690 
Hf       5.53781918       4.94580859       1.19383229       1.25061030       0.61614492      -0.40413662 
Hf       8.78898593       0.77761857       7.57027487      -2.06950015       0.93924526      -2.40732961 
Hf       9.19746157       8.73528005      10.42394730      -1.74717003       1.63925886      -2.86859526 
Hf       7.59836495       5.16608049       5.25069705       0.36789403      -0.28803033       0.45331237 
Hf       8.56612695       9.34610146       5.15909149       0.13326977      -0.92198304      -2.56312854 
Hf       6.33020066       3.71367212       7.95289836      -2.21119969       0.20885033       1.76233422 
Hf       2.79608312       2.22112570       6.72306637      -2.33776618       0.37109007       3.09598073 
O       9.57021445       8.56962758       3.22718884       2.10646289       0.62398642      -0.12392394 
O       3.71320779       0.49411627       7.56323832       1.53172767      -0.51862026      -1.26344267 
O       2.08514336       6.13691854       8.82345868       0.32388397       0.22769893      -0.01740618 
O       5.80377194       0.71219215       4.61704786      -0.58467091       1.57904128      -0.10365717 
O       3.45231897       8.43458138       9.16943174       0.36529900       0.47530883      -0.95624085 
O       1.82050117       8.58844470       0.89717361       2.13146108      -0.95645634       0.47851659 
O       6.46839543       9.42208720       9.30258047      -0.58910285      -1.28796276      -0.34272052 
O       7.63735156      10.12492356       6.68700012      -0.53078089       0.67501661      -0.45132466 
O       5.29276469       9.30920307       5.44002506      -1.48573770       0.33136469       0.36177182 
O       4.69902240       3.27620391      10.76407508       1.99392262       3.02965450       0.75096142 
O       4.07115466       8.37773964       3.07668666       0.57433374       1.53058591       2.06812271 
O       7.66164343       4.92384921       7.19682815       1.52688596       0.73088313       2.01701433 
O       4.72494164       8.49313767       0.44519913       0.80511384      -0.42883262       0.18618600 
O       4.05674392       3.21434056       7.90197572      -0.18227575       0.48612502       0.93925959 
O       0.20811788       4.46790825       3.82327622       0.20628542       0.30130929       1.01487027 
O       7.14186337       8.77410435       3.85285601       0.07916303      -0.30108231      -0.84437355 
O       7.94495270       6.94932762       8.98793735      -0.53324374      -0.21285047       2.01111832 
O       7.42799149       1.26595925      10.10232799       0.60559059       0.57048641       0.62054264 
O       1.05180263       2.11786432       5.02263928      -1.36137740       0.23539196       3.25654788 
O       7.07057539       6.34852338       1.05643927      -0.59679350      -1.04449432       0.22209432 
O       1.17398860       4.67927186       6.79606422       3.23499127      -2.23265927       0.06401751 
O       7.48729708       4.14460327      10.41419047       1.42484425      -0.89174474      -0.14963321 
O       9.70693395       2.25303027       6.39672584      -0.96508558      -1.62962332       1.31646720 
O       3.79894320       6.15565662       0.04020817       2.15760814      -1.55075137      -0.16042719 
O      10.79527475       1.28826810       0.42720091      -2.44213346       2.38552704       1.25410493 
O       8.36907496       7.53099981       5.89645499       0.00524374      -1.09714790       0.50961333 
O      10.75236595       2.20998252       2.82660850       1.07569991      -1.66243581      -1.10857707 
O       8.91346846       0.41427641       3.82877344      -0.54563698       0.02100837       1.10782188 
O       0.80255856      10.53962934       2.91806282      -1.73660714      -0.32784767      -1.25980753 
O       9.38772182       2.01477046       8.95433951       1.79900476       3.03278752       0.95544995 
O       9.96271756       4.23487078       0.73452282      -0.58251560      -0.24006227      -1.45229157 
O       1.56316618       9.92549543       9.23610967      -0.99134838      -0.76962057      -1.38915073 
O       3.70937756       0.58647124       2.29390980      -1.01229970       0.39297709       1.89030289 
O       3.26506669       5.85596337       5.07922797       0.35222951       0.23423882      -0.56587092 
O       1.34766456       7.68127466       3.75114122      -0.82134400       0.60270410       1.02825407 
O       5.84858104       6.26719413       5.11259087       1.24304100      -0.96394163      -1.86718364 
O       4.87970018       7.18023214       7.52647259       0.38045178       0.41512635      -2.09625198 
O       5.92702238       3.80547080       2.86111436      -0.08417186      -0.62140224      -0.13141119 
O       2.45526694       3.01667681       2.31958238       2.14450139      -1.24614996       0.51329771 
O       9.91787807       4.94433950       6.30441506      -3.63363172       0.81997277      -3.56980001 
O       3.16131667       3.27268732       5.23224916       3.23968423       0.56689008      -2.81389691 
O      10.06639843       5.14125243       8.82272164      -1.19930321      -0.06773492       1.65778765 
O       0.32660933       7.22297375       6.38207649      -0.54406072       0.16809794       0.81700509 
O       2.51137110       8.19920122       6.55164853       1.09198246       1.71744304      -1.18632355 
O       5.48873094       5.31176344       9.08909813      -0.42031983      -0.55771985       0.37299451 
O       6.79397296       1.41958666       7.39604621      -0.47962234       2.26122613       0.49016598 
O       4.63927615       0.29916390      10.84749732       2.47735403       0.56865538      -0.31828700 
O       5.71823010       4.15462445       6.22227441      -0.62573854      -1.21740117      -3.31005408 
O       9.85597053      10.47656212       8.63470290      -1.55750022      -2.94132703       0.69489083 
O       7.85485585       3.08832261       4.70551093       0.58762967       1.16981486      -0.64186122 
O       4.45151894       5.89986823       2.56124425       0.33353430      -1.80320751      -0.16080469 
O       2.39799811       1.15982745      10.49712841      -0.53911016      -1.54082922      -1.14933415 
O       8.02688317       9.56437753       1.08462640       0.96954692      -0.25630154      -1.13287990 
O      10.57364645       9.91924716       5.80032983      -6.53990404       2.55282022       2.15398785 
O       2.15804025       3.66155289      10.69876038       0.41916852       0.93296673      -1.29926361 
O       8.52918079       5.93502439       3.67466586       0.31459393      -2.56848739       1.36765144 
O       2.45423656      10.69122932       4.43107804       3.02482077      -1.35476543       3.36539427 
O       6.36473247       0.35509566       2.11204846      -1.49407400      -0.70315535       0.31264666 
O       9.39476695       7.19573655       0.74416534       1.93118437       0.47176059       2.60710099 
O      10.18235285       7.84399406       8.94627812       2.26195305      -0.41179990      -1.46364467 
O       1.16852340       5.90619054       1.74604324       0.68610759       2.91029295      -0.39879622 
O       8.50225560       2.04210515       1.91591980      -0.22789015      -0.09452942      -1.85423905 
O      10.62496795       9.54606056       0.48977883      -0.83479170       1.68889191       1.00078100 
O       1.04795589       1.80900472       8.14819944       0.95926343       2.17082902      -2.07935367 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00019719953836440355 0.0022395941018090284 0.009077349432759866 0.0022395941018090284 0.016432016363373464 0.0018534346534886102 0.009077349432759866 0.0018534346534886102 0.02448336398168968" pbc="T T T" energy=-926.38595608 free_energy=-926.38597442 config_type=amorph 
Hf       9.01907134       2.36856553       0.27669698      -1.98788653       1.83223728      -0.42436861 
Hf       3.25162283       7.03122368       1.83662526       3.72644868       1.59084884       0.08074218 
Hf       7.76479201       7.77173096       1.83788829      -2.24156475       2.56297173       0.16238349 
Hf       6.48042493      10.57578091       0.37242643       3.07566801      -0.80498038       1.18727243 
Hf       3.33495876       3.88033085       9.74073501      -1.50215759      -1.06922814      -3.40339284 
Hf      10.65553805       3.94528968       7.80057719       1.63826530      -1.09347782       0.01772648 
Hf       0.92995233       1.26531894       9.77605847       0.52582191       1.26743798       0.35982655 
Hf       4.17343712       7.30465181       5.76319151      -0.32845767      -1.88326636      -1.43920984 
Hf       5.17606401       9.50351665       3.52198599       0.23027442       2.04471554      -3.00076272 
Hf       0.85245147       4.14664188       1.87002344      -0.43882921      -2.41237444      -0.99352418 
Hf       0.40501626       8.16383455       1.63053773       0.55188887       4.13813480       0.87633295 
Hf       2.02167945       1.38514724       4.01221927      -1.20451052      -0.88467804      -0.02977251 
Hf       8.98965906       5.79775415      10.51144752      -1.61952986       1.10993731       0.39478871 
Hf       8.95908874       7.07331597       6.96783794      -0.21942178       0.49072695       2.65709498 
Hf       3.95613258       1.67119199       1.52933613       2.25429383       0.53544842      -0.67816138 
Hf      10.00023400       2.65757157       4.79946667       0.43423926       0.37042713      -1.58531401 
Hf      10.16010794       0.24627963       2.11429888      -0.12433883      -1.89368925      -1.51870538 
Hf       5.18864979       7.38791599       9.34046038       0.04287438      -2.86887875       1.64761829 
Hf       6.88246231       1.79664692       3.59136227      -2.86180865       0.28699339      -0.15611780 
Hf       3.85221917       4.32970925       4.11768058       2.96859205      -1.20349258      -0.00013487 
Hf       6.16567031      10.20744060       6.75702735      -2.27177604      -0.55708484      -2.99919106 
Hf       1.55112615       7.25574433       8.58627462       0.17945574       1.15417692      -1.32710292 
Hf       0.68290082       5.90569734       5.07799870      -0.83968332      -0.22797200      -1.58135862 
Hf       3.58175721      10.35732126       9.22919471       2.04073203       2.03855863       0.72835489 
Hf       1.54290691       9.15546297       4.86266959       0.74726149       0.49781900      -0.31722642 
Hf       5.98872680       4.87858653       1.08909727      -1.88596478       0.03331311      -2.00342613 
Hf       8.47288274       1.40431285       7.82954706       1.67272758      -2.39438112       2.57847704 
Hf       9.49075261       9.72021714       9.55954688      -3.00251404      -2.58783516       0.23627509 
Hf       7.37173979       5.58639586       4.45717576       2.15883464       1.24742936       1.13042929 
Hf       8.88806739       9.70859345       4.59789028      -1.78688060      -1.09545699       2.00161222 
Hf       5.98956035       4.16741510       7.63104911      -0.29564574       0.30294173      -2.65772746 
Hf       2.91540182       1.56273443       6.87208417       0.03011082       0.36087012       0.50166214 
O       9.43211207       9.21970441       2.78755186       1.55735293       0.63323628      -1.30152231 
O       4.70647942       0.37533095       7.44345877      -1.91134536      -1.10907834       1.97118947 
O       2.50697645       5.54625870       9.11074637      -1.85011102       1.89165205      -0.31042338 
O       6.12097879       0.60636216       5.17926392      -0.27661105      -0.11364558      -0.02042594 
O       3.29435673       8.44219603       9.26374672      -1.31136998      -1.28365099      -1.00391808 
O       2.05950975       8.65316198       0.75592115       1.17245923      -3.03273353       1.22271219 
O       5.74756063       9.23717154       9.44167262      -0.51666487       1.99637428      -0.52311279 
O       7.93371028      10.22531647       7.39051326       1.80340558       2.47050203      -0.23805997 
O       5.21460724       8.90977740       5.36995506       0.64199360       0.20675182       3.89990345 
O       4.58867855       3.60830439       0.21190990       0.53422547      -1.34035094       1.43974606 
O       3.36093934       8.41646982       3.65923842       1.17355889      -0.62044493       0.04859703 
O       7.88082742       5.40906478       6.86001732      -1.30275928      -0.18493389      -1.38937641 
O       5.34553237       8.53011987       1.77662377       0.36250687       0.78630176      -0.08311478 
O       4.12791368       2.59188286       8.08220035      -0.04670326       3.47218809       1.46852302 
O       0.43200995       3.95810746       3.97015998       0.36845559       2.31264158      -3.04381252 
O       7.26532431       8.92213477       3.52263726      -1.90037939      -0.27942377      -0.87979257 
O       8.59706411       7.92133956       8.77159262      -1.05800030      -0.69491455      -1.65439123 
O       8.19587049       0.43740024       9.68824906      -2.77452641       2.90332328       0.48206952 
O       0.57271254       1.49618232       5.42936412       1.60942676      -0.27801832       0.92118447 
O       7.13033424       6.83689055       0.11966513       1.98587562      -2.00828224      -0.34147649 
O       1.06052181       4.25556442       6.20221066      -2.71750765       1.73521453       2.26135955 
O       7.63896069       3.71526095       0.54702345      -2.12364579       2.39436243      -0.07159708 
O       9.45598185       2.79868561       6.68295146      -0.11728569       0.43417089       1.13158748 
O       4.68474944       6.58301636       0.24361623      -2.26928669      -0.23808103       0.53517423 
O      10.77700012       1.74638033       0.90267170       1.82072776       0.44724576      -2.27139188 
O       8.01492619       8.21189600       5.67254110       0.54325889      -0.24156483       0.81936530 
O      10.71161312       1.75835631       3.19592328       0.07598414       0.48177919      -0.52011023 
O       8.34832943       0.91875758       4.56983983       3.80852413       0.18306505      -0.47439004 
O       0.95289389      10.33205069       2.96226244       1.15293205       0.29719708       1.00764804 
O       9.45260259       2.78131738       9.36083658       2.23398832       0.79174114      -4.37301580 
O       9.93919323       4.38223298       0.67501063       2.62986687       0.48020143       1.39806080 
O       2.08280837       0.03529979       7.88176953       0.79074942      -0.42836885       3.58865868 
O       4.03348916       0.47855997       3.15440062      -2.83555752       1.35259431      -1.42876544 
O       2.68250418       5.88503204       4.38488139      -0.00965016      -0.03686865       0.94128365 
O       1.00700070       7.77445439       3.46738771      -0.58197102      -1.78282686       0.09865305 
O       5.62212090       6.32126045       4.74425967      -2.16917238       0.87837861       0.20554867 
O       4.47359166       6.64027748       7.58751890       1.19970079       0.83359502      -0.75189433 
O       5.30131603       3.11758920       2.58090524       1.32026823      -2.23155884       1.09224669 
O       2.60584773       2.93391702       2.55158209      -1.03847169      -0.58494722      -0.26582834 
O       9.66463300       6.16583229       4.11099708      -0.38056508      -0.30289194       2.50410802 
O       2.94004077       2.84364626       5.24338279       0.04619171      -2.06404492      -1.00627327 
O       9.80064053       5.58732560       8.71598492       1.01733760      -1.20517895       0.47324393 
O       0.16276565       6.93925932       6.76031813      -1.24083560      -1.01540012       0.58799614 
O       2.29290613       7.72938279       6.47231229      -0.03256477       1.49638003      -0.50991482 
O       5.90775136       5.23986077       9.21326919      -0.23965261       0.16552998       0.59843442 
O       7.15108791       2.72169966       8.00855079      -1.30086182      -0.08781425       0.08982130 
O       5.02857728       0.75012852      10.60535148      -1.79917676       1.00258919      -0.39402762 
O       5.28916689       4.08833105       5.63925625       0.12727317      -0.31002406       0.24454687 
O      10.24502022       0.44262628       8.63438611       2.65210273       0.72976454      -0.71579048 
O       7.93507525       3.89610917       3.89188181       0.56121989      -5.07420788       0.27307363 
O       4.31026713       5.22382234       2.35046200      -1.13397436       2.23537329       0.20573430 
O       2.69096411       0.69732143       0.01543623      -1.76589768      -0.68590918      -1.78206127 
O       8.01158178       9.41693130       0.22008170       0.79217830      -3.42228619       1.75810622 
O      10.61069519       9.59749182       5.55539433      -0.01788500      -0.48925520      -0.28842197 
O       1.73916346       3.15178153      10.60114409      -0.71063184       0.25173183       1.14549109 
O       6.87773621       5.85968601       2.49108577       2.33831231       2.19476768       1.47437352 
O       2.79966322      10.69549772       5.29696307      -1.23332325       1.71457703      -0.22498645 
O       6.20823887       0.34685416       2.43044419      -0.03078312      -0.37844570      -0.92273527 
O       9.59897350       7.18638346       1.43119505      -0.81708270      -3.46099555      -3.23266842 
O      10.80371372       8.19709096       9.43813345       4.61968564      -2.33084360      -0.36576891 
O       1.82944714       5.73181847       1.34316058      -1.75611903       0.13673287       0.54535335 
O       8.14323591       0.96664847       1.23485870       0.29290844      -0.68036896       2.81099414 
O      10.58284710      10.08555361       0.31138990       1.16073457       0.45971434       1.74158396 
O       1.40279578       2.57920719       8.12480202      -0.81357204      -0.33259593       1.05413074 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.009748896792789851 0.0036651268366828986 -0.006939827055052232 0.0036651268366828986 0.016312561106371627 0.009084295165118914 -0.006939827055052232 0.009084295165118914 0.0023698513576512676" pbc="T T T" energy=-932.16595291 free_energy=-932.16636951 config_type=amorph 
Hf       8.55444312       2.36201610       0.05500170       0.17333188      -0.52280874       0.48244326 
Hf       4.09075332       7.55925327       1.62469766      -3.28606034       1.37704186       2.75028214 
Hf       7.98875041       8.01399743       2.27910856      -0.11918932      -0.30908958       0.63270767 
Hf       6.40481872      10.65694243       0.51032319       2.60803242       1.48044066       3.06013874 
Hf       3.26898953       4.68222251       9.43909966       1.74501484       0.81963741      -4.98387117 
Hf      10.70890804       3.63672059       7.78462582       0.57179721      -0.95515200      -1.25534185 
Hf       0.58903801       0.56545289       9.70576244      -1.02815759       0.88472380       2.20607970 
Hf       4.53336234       7.23148535       5.49064144       0.04426133      -0.25118842      -0.57888227 
Hf       4.50368811      10.36011775       3.82408056      -0.11972161      -3.06522020      -2.66611819 
Hf       0.99578868       3.83362656       1.38258069      -1.72627338       4.78027518       1.11552048 
Hf       0.49812715       7.68907301       2.36572637       0.37049226       0.01256026      -1.27204820 
Hf       1.82772130       1.53942495       3.44510004       0.42196129       0.89151346       1.65562870 
Hf       8.84382228       5.50576946       0.03303483       0.88816047       1.42120239       0.72184272 
Hf       8.93619734       6.33520305       7.69530380       4.19168749       0.90269748      -2.00674887 
Hf       3.79783737       1.65445636       1.04555360       0.00585727      -0.71862622      -1.14863429 
Hf      10.13395681       2.73886509       4.52720429      -0.10872832       2.59070429       0.73238078 
Hf       9.74392168       0.43319069       2.22663390      -1.03679502      -3.87397520       0.99911356 
Hf       5.79840315       7.21336837       9.23663295      -1.59757036       0.14042009      -6.50915684 
Hf       6.72044738       2.23389159       3.68402730       2.19589631      -0.30413650      -1.82662865 
Hf       4.08880645       4.22397913       3.79117547      -1.16782839       0.60234756       0.78007379 
Hf       5.79480719      10.70065927       6.53522350      -0.96498760      -1.80488363       2.00619656 
Hf       1.78927914       8.12881909       8.27657625      -1.00652463      -3.33348052      -1.34593622 
Hf       1.03627651       5.82375113       5.63782995      -0.41959243      -0.19905664      -1.32703861 
Hf       3.75323433      10.54805746       9.15448796       0.24726916      -2.22213788       2.53248993 
Hf       1.42705041       9.38233728       4.95305901       0.77030691       0.36507844       1.24731218 
Hf       5.65052983       4.67085785       0.72508788       0.62479331       1.44867537       0.17736726 
Hf       8.53620367       1.18281732       7.77488658      -0.96998067      -0.38401587       2.50402912 
Hf       9.65711388       8.94166113       9.98023756      -1.94755620       0.21089922       4.29520571 
Hf       7.93460365       5.70607641       4.77134196       3.51878301      -1.73820190       0.89269095 
Hf       8.71523692       9.43676446       5.17447453       0.74252815      -2.10932781      -1.38989551 
Hf       5.87918751       3.67724880       7.12132117      -0.55701121       2.24851824       3.22164151 
Hf       2.59739030       1.76099419       6.73904596      -3.28199564       6.19428651      -2.97141847 
O       9.58899585       8.65417053       3.33988028       1.15245919       1.15157308      -0.02218782 
O       3.70338506       0.57573755       7.48931116       4.77507950      -2.90099037       0.80710585 
O       2.30784709       6.35932383       8.87948913       1.50987057      -1.72195741       1.58264590 
O       5.51710698       0.89800531       4.78976260       1.93740004       1.06904153       0.10278389 
O       3.75028097       8.56011231       9.23818975      -1.23615937       0.38352654       0.48761853 
O       2.23611400       8.42429769       1.76866888       1.23143576      -1.41230702      -1.30815966 
O       5.62558636       9.70077329       8.30522402       0.45947227       1.11491776       0.41461189 
O       7.81752212      10.62161984       6.52234601      -0.78166452      -0.35242342      -0.57070513 
O       5.20301851       9.07474483       5.43660401       2.25002376       3.67153995       2.41737358 
O       4.13692044       3.50669817       0.08854775       2.67388930      -0.78574146       0.85149692 
O       3.98229783       8.25596349       3.67580849       0.25022651       0.12667931      -2.39454142 
O       7.62107190       4.95673660       7.37801672      -2.81961217      -1.39959884      -1.81621071 
O       5.31339211       9.14993588       1.26762342       0.19352351      -1.57235953      -0.79175534 
O       3.78148921       3.12006987       7.84518804       0.66104843       0.82963243      -0.92863425 
O       0.50373837       4.39119437       3.82848412      -0.41615567      -1.01545752       1.35606984 
O       7.02416932       9.19453350       3.63632249       1.36209937      -0.20062001       0.18460992 
O       7.94221613       7.34026242       9.09538733      -2.39957234       0.25963236       2.54111657 
O       7.45064275       0.92978189      10.11699103       1.01852783       0.93592082      -1.82781710 
O       0.95480331       1.74462366       5.21355265      -0.92105088      -0.62363979       2.52837124 
O       7.16912000       6.17468880       1.24834589      -0.19728386      -0.08359550      -1.04901741 
O       1.49758094       4.31421505       6.79387026      -0.00481974      -2.56384554       0.60467773 
O       7.49036835       4.07994582      10.50932890      -1.22143989      -0.20645059       1.04325006 
O       9.31562819       2.46484182       6.54201220       2.25263008       0.61191095      -0.20854987 
O       4.89459674       6.59162133      10.77239388      -1.07760712      -1.22772713       1.38053792 
O      10.19398826       1.35748914       0.65512438       0.77379628       1.79017158      -3.30510243 
O       8.40212650       7.66036672       6.20855599      -0.54519787      -0.04657995      -1.55628677 
O      10.82899298       2.14416462       2.72854634       1.01109379       0.58590408      -0.19347291 
O       8.79884372       0.78448500       4.02291767       0.42353357       0.40246074       1.02711731 
O       1.01967311      10.61670289       3.33378812      -3.27821995      -2.68962260       0.76994890 
O       9.76198482       2.25229899       9.14869012      -0.09578507      -1.19278832      -0.47229312 
O      10.00112661       4.05030881       0.70918961      -2.15035688       0.00670870      -0.27831513 
O       1.50228077      10.17601751       8.45216044       1.21650953      -0.35247840       0.83102862 
O       3.04193153       0.38338810       2.43262437       3.31463649      -0.00882877       0.44479027 
O       3.33935320       5.67855336       5.02627139      -0.30988366      -1.96616046      -1.20662349 
O       1.33745752       7.59014940       4.22244665      -1.76786635      -1.35446909      -1.22816967 
O       6.23844963       6.35521079       4.38095009      -3.27038288       0.55634192       0.37731375 
O       5.04001196       6.72690464       7.27348482       1.40332582       1.22241622       1.95720536 
O       5.82510394       3.63798134       2.43732626      -0.30190766      -1.21535724       1.39253108 
O       2.58332067       3.14212620       2.35702598       1.74790183      -1.00427706      -1.54766115 
O       9.80781062       5.29628856       6.00480855      -0.76667528      -2.23490695      -1.51117693 
O       3.19144091       2.55298104       4.57838520       1.40119241       0.57220233       1.50652434 
O       9.68893464       4.70763237       8.94839153      -0.87054544       3.19181466       1.91448630 
O       0.30049956       6.45413114       7.28639933       0.78766709       1.67431030      -0.26225040 
O       2.48088937       8.04874007       6.37006663       0.20915764       0.41685666       0.53379311 
O       5.34204031       4.89955864       8.83618158       0.29385581       0.69323428       1.91034403 
O       6.65597817       1.90980072       7.44029761      -0.43970727      -0.52040172      -0.05444829 
O       4.98393993       0.80158496      10.43151093      -2.62492035      -0.45285429      -1.00399246 
O       5.60453869       3.52591360       5.17799459       0.47634476       0.42126098      -1.31734273 
O       9.25874313      10.42906749       8.81757942       1.42341511       1.13733282      -0.89227225 
O       8.34867954       3.54476937       4.12882235      -2.74238635       0.15846790      -0.08813839 
O       4.04428342       5.43420236       2.05318820       0.87989674       1.37048139       0.25396334 
O       2.22807247       0.58852895       0.08536249       1.85813962       1.63534319      -1.99479570 
O       8.41228784       9.96993650       1.19730123      -1.83917215      -1.58704413      -0.61044946 
O      10.62079063       9.33971748       5.97609955      -0.51022857       1.17071711      -0.91036293 
O       1.97835366       3.88457754      10.49679284      -4.54292971      -1.18064504       1.85523897 
O       8.86441463       6.22797205       3.21902844      -0.39257227       1.39929204      -0.10492487 
O       3.23691050      10.60339820       5.33093013      -2.60139794       0.72194534      -1.56021230 
O       5.57468597       0.86710311       2.05251803      -1.64068693       0.23622077       1.07436821 
O       9.38438381       7.46190601       0.74071562       0.47248004      -0.11416403      -0.39463083 
O      10.56099227       7.77145152       8.92225668       1.84991595       0.05015117      -0.03804107 
O       0.84066146       6.00796569       1.58888187       0.47597630      -2.53747531      -0.34036164 
O       7.79423512       1.56141136       1.81603052       1.45783852       1.47493351      -0.04156084 
O       0.09653478      10.00422740       0.32036638      -0.64129507      -2.16890874      -1.53348467 
O       1.33077163       1.91508495       8.33823605      -0.50473484       1.07523394      -1.48441648 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.009142742809894334 0.0057121618560569635 0.008643648272114396 0.0057121618560569635 0.0017601135189401962 -0.005346692642239809 0.008643648272114396 -0.005346692642239809 0.010247027129757004" pbc="T T T" energy=-932.03336281 free_energy=-932.03338868 config_type=amorph 
Hf       8.88610337       2.72170737       0.45544819      -1.00161880      -3.64794852      -1.56806058 
Hf       3.93569483       7.26591023       1.62050124      -0.00983094       3.06123174       0.37915888 
Hf       7.76080686       7.90188605       2.35138002      -3.23126096      -1.94366476      -0.21689896 
Hf       6.77733657       0.15839856       0.36518025      -2.72733963       2.58604634      -1.88381290 
Hf       2.63500347       4.40203716       9.26856379      -1.32332853       0.08073037       3.52097160 
Hf      10.69141876       3.73451318       7.79780002      -0.20264772       0.03507206      -1.21919401 
Hf       0.43252064       0.79098231       9.74307641       0.06230193       0.55042038      -0.49788247 
Hf       4.45739223       7.26159157       5.43295551      -1.77492648       1.91541118      -0.09345707 
Hf       5.14252306       9.85591766       3.64728133      -2.35505801      -0.53585646       0.30019082 
Hf       0.79817758       3.81296723       1.79060220       1.19338121      -0.58858122      -0.90103016 
Hf       0.31533738       7.60436059       1.91194019       2.19184016       0.48621710      -0.63185282 
Hf       2.20305768       1.35165981       3.82443350       0.25525347      -0.64318425       1.92223546 
Hf       8.40588812       5.56361650      10.39193460      -0.39793944      -0.17306470       1.50658571 
Hf       9.58972116       6.73077211       7.38797277      -0.06981355       1.37193955      -2.28238695 
Hf       4.40992138       1.74580397       1.41518419      -2.33707288       4.75912848      -2.80431265 
Hf      10.11277594       2.44395797       4.65940841       2.15933328       0.21806479       1.88752378 
Hf      10.09716123       0.04280251       2.40786263       3.08262991      -0.96338930      -0.69243201 
Hf       5.70772451       7.27248050       8.87648832      -2.55991953       0.07097566       0.27540484 
Hf       7.25932617       1.77888982       3.46664905      -0.11959401       0.47057381      -0.80309460 
Hf       4.37814013       4.30454018       3.93190086      -4.67183358       0.23720485      -5.92336996 
Hf       5.51853980       0.26607816       6.79803683       1.11848655      -2.63679547      -0.99930852 
Hf       1.83391171       8.00555389       7.99218982      -2.08125860      -1.77238424       5.33474968 
Hf       0.88541074       5.63854733       5.15774856       1.15328244      -1.48745401      -0.97453881 
Hf       3.38203564      10.39256449       9.40257723       1.29109266       5.84746999      -0.75603138 
Hf       1.44283708       9.23612759       4.99299457       0.65448827       1.49640325      -2.15885950 
Hf       5.54144433       4.78921446       0.18136867      -1.57233860      -0.43148366       4.88944553 
Hf       8.35369942       1.32629012       7.98261157       0.39218640       1.31593543       2.49392587 
Hf       9.21812253       8.80302635      10.13712915       1.79108047       0.06115708      -2.46636172 
Hf       7.36860849       5.32347246       4.72439763       2.27966915      -1.07758632       0.67684231 
Hf       8.50068176       9.36947846       5.32506932      -0.91616080       1.28099996       1.38386517 
Hf       5.93388860       4.22188733       7.32000271      -0.67548291      -0.04545337       1.73188741 
Hf       2.89587926       2.31491197       6.91541821      -2.78627257      -0.62209708      -0.98088113 
O       9.41652538       8.91852676       2.88065440       0.93097297       0.73730807      -0.95518394 
O       3.75898951       0.72407032       7.70941392       0.15593490       0.88005356      -0.40929303 
O       1.87705869       6.11304681       9.05505258       0.44191041       3.08705870      -1.50010230 
O       6.40732448       0.59824942       4.62909950      -2.76625630      -0.49979675       1.32961868 
O       3.36985404       8.59498186       9.39261891      -0.79081952      -4.74675651      -0.57688994 
O       2.20337848       8.24699842       1.44825441      -1.32758656      -1.92149037      -0.89278321 
O       5.43182808       9.80563793       8.29085193       0.32309192      -0.42246890       0.62407035 
O       7.69506355      10.76254781       6.97403030      -1.41406941      -2.36596099      -2.64199431 
O       5.18971024       9.18632109       5.64943290       0.62071157       0.25544419       0.01986767 
O       4.07282524       3.49371700      10.80425697       0.79861246      -0.19277964      -1.08603279 
O       3.82869419       8.12083402       3.63124301       0.38529247       0.10298544       1.57428720 
O       7.61439860       5.15328312       6.73129669      -1.55666496       0.44926653      -1.00094128 
O       5.35811229       8.74909303       1.84740704       1.55104470       0.64598013       0.15872949 
O       3.89227926       3.64930083       7.95452008       2.64403810      -0.72759383      -1.39833250 
O       0.51028932       4.08656201       3.85640376      -1.49895500      -0.76899855       1.78602077 
O       6.98336699       9.06016842       3.98337478       1.06544677      -0.24627300      -2.34604329 
O       7.58527174       7.28934575       9.36382338       2.34166961       0.88331660      -0.41762147 
O       7.35413913       1.57785473      10.12590345       1.09095150       0.26557516      -1.82297407 
O       1.05893081       1.63270770       5.65890366       0.47681609       1.64891300      -0.50986949 
O       6.96215843       6.26082134       1.31228259       1.18631964       0.87363209      -0.35978001 
O       1.38094214       4.65894994       6.89027911       1.15624717      -1.31045330      -1.02897309 
O       7.30891597       3.91893488       0.40288396       1.41655327      -0.14776952      -0.75500192 
O       9.55623005       2.45100082       6.78533586      -0.34215063      -0.73786405      -1.13380019 
O       4.74008746       6.62099800      10.57051493       0.43317751       1.27233626      -1.93155472 
O      10.43949937       1.28854841       0.71964971       0.79758959       0.08342813      -0.57522959 
O       8.11392080       7.94581914       6.64928783       1.19104238      -0.07756240      -0.24945376 
O       0.36344909       1.72287229       2.98773809      -3.05908951       1.50923065       0.37989724 
O       8.92448604       0.66114934       4.57104054       0.69815405       2.17487436      -2.82166725 
O       1.24147316      10.44168464       3.23287638      -1.39236078      -1.29365430       0.53016047 
O       9.54680737       2.53961121       9.42302790       1.64897170       0.15881594      -1.37335734 
O       9.78609474       4.36496236       0.57110210       0.11803786       0.08106051       0.16718465 
O       1.36693851      10.34370706       8.45795513       1.27168918      -1.74580904       0.30803708 
O       3.87386166       0.74298851       2.89900220       0.39809873      -1.90433508       0.02760146 
O       2.84879467       5.65602097       4.51414506       2.17257740      -0.62932919       0.85593328 
O       1.07996023       7.71303582       3.75348522      -1.17618688      -0.83147857       1.40055473 
O       5.70975823       6.30103710       4.25717138       0.36559915      -1.57682846      -0.45498249 
O       4.65967135       6.05620615       7.41588154       2.51260936       1.94752870      -0.14336495 
O       5.62231447       3.45008148       2.24710194      -0.18454872      -2.12428219       2.69887857 
O       2.61172482       3.02743080       2.58412252       1.45152031      -0.26699744       0.10166322 
O       9.93054093       5.08447539       6.06165235       0.38548702       0.41479598      -0.76895568 
O       3.89809957       2.52140401       5.27171779      -2.16603280      -0.42486349      -1.51335410 
O       9.83612173       5.24544810       8.59675666      -2.28452243       0.54144707       3.80946995 
O       0.66819457       7.12305950       6.44367657      -0.85286890       2.63648381       0.88655242 
O       3.11233222       8.21163588       6.62380057      -1.41997571       0.40921628      -1.83929930 
O       6.52525660       5.19028747       9.28985366      -0.85309004      -0.52738816      -1.97505733 
O       6.53280818       2.27391444       7.06947238      -0.21495444      -0.70572067       1.64044881 
O       4.78945004       0.41659707      10.76375894       0.19151301      -0.63973874      -0.09556519 
O       5.38986096       4.10945840       5.42587586       5.00874187       1.21766218       2.37880587 
O       9.50594489      10.67551235       8.79358186       0.06370519      -0.08717301       1.86798657 
O       8.42992346       3.46948180       3.94603432      -1.27731431      -0.06081147       0.32462105 
O       4.34005688       5.41543073       1.85260908      -0.96267215      -0.12538576       1.81290599 
O       2.27538363       1.06152244      10.30890644      -0.19955025      -1.19516336       1.42572276 
O       7.46835121       9.38988234       0.06804377       2.98067126      -5.08553162       0.25851444 
O      10.40364873       9.76826816       5.40455298       1.63349024      -1.59061815       0.51687533 
O       1.53194774       4.22808349       0.05637394       0.43274691      -0.97389720       0.08511749 
O       8.27118053       6.85940079       4.01228755       0.82723585      -0.38965298      -0.77283274 
O       3.08570818      10.71746003       4.94009575      -0.63433902      -1.68946147       1.22893419 
O       6.09512589       0.90403103       1.94591268       0.00086306       0.31195091       3.89582734 
O       9.33674045       6.99578384       0.49696878       0.93287182       3.22714830       0.92228679 
O      10.58052015       7.94996063       8.71915064      -1.37662090       0.11243382       0.15504444 
O       0.38394851       5.65238550       1.88415072       0.66127562       3.70788093       1.21303734 
O       8.40725657       1.04050582       1.91281391      -0.69292345       0.60488979       0.19793941 
O      10.56899384       9.55470701       0.51236647      -0.48759094       0.10759227       0.86036324 
O       1.45326918       2.83316259       8.59479578      -0.57990877      -1.63290689      -0.46129960 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.010451741445108973 0.0020751410967037374 0.00816251849528923 0.0020751410967037374 0.006455561163310168 -0.0032468330098354165 0.00816251849528923 -0.0032468330098354165 0.004631314484101603" pbc="T T T" energy=-939.22939597 free_energy=-939.22940513 config_type=amorph 
Hf       8.76757360       2.44228447      10.81977061       0.51224990      -1.17698411       1.50572409 
Hf       3.88362880       7.14603938       1.37597926      -0.23204575       2.47401694      -0.89008476 
Hf       7.89310879       8.04705755       2.11479588       1.11553910      -1.82267234       2.11544336 
Hf       6.22032331      10.49976575       0.05350395       0.58468182      -0.39483408      -0.49064295 
Hf       3.57005785       4.70452604       9.88898679       1.11974994       0.34512954      -1.14716392 
Hf       0.62919873       3.57821098       8.82230704      -0.44874160       1.70548053      -0.01965982 
Hf       0.36751697       0.33738231       9.58510949      -2.31700955       0.35990964       1.18984466 
Hf       4.07275261       7.45641822       5.15900638       0.05368304      -0.09508499      -0.17609440 
Hf       5.07587639      10.03470566       3.10311007      -0.06988113      -1.29207717       1.93916320 
Hf       1.20267665       4.17123198       1.19844321       1.09920913       0.32750376       2.01865876 
Hf       0.79510675       8.65204735       1.83611327      -2.75994669      -0.39859488      -1.14520252 
Hf       2.28590464       1.82962649       3.82981718      -0.31095192      -0.31021143       0.43589646 
Hf       8.85435828       5.72242120      10.44126733      -0.87796030      -0.18275034       0.71874574 
Hf       9.43701817       6.15408180       7.12001049      -4.58387414       1.90396108       0.03064235 
Hf       3.55250225       1.83017788       1.09418836      -2.07508707       1.50743019      -1.23407569 
Hf       9.95409533       2.99910014       5.60084188      -3.11941542       0.45124167      -1.26171285 
Hf      10.38612775       1.06983504       2.60206049      -1.72139295      -1.61486573      -1.38761005 
Hf       5.60304648       7.41953807       8.79746084       0.10632816       0.46654135      -0.54409775 
Hf       7.25054739       1.63647855       3.44677778      -1.14800910       1.58177020       2.57656432 
Hf       4.27403652       4.42209559       4.12072394       0.55411985      -1.67415877      -0.85388572 
Hf       5.22748256      10.40688218       6.62563898       1.28205540      -1.03852104      -0.08044825 
Hf       1.54471384       7.77637618       8.31432230       2.98218769      -5.17336155      -2.44838634 
Hf       0.58666025       6.06868652       4.65182893       3.88036264      -2.81722286      -0.05512419 
Hf       3.11635960       9.90970084       9.92331927       2.23773021       1.30698968       0.89397502 
Hf       1.47366405       9.41809673       5.21972949      -0.42037130       0.98148104      -0.75794538 
Hf       6.11155699       4.89438439       1.30205915      -0.56732355      -3.80193956       0.77764300 
Hf       8.04616320       0.93853353       7.99105978       2.46443935      -2.97154095      -1.74843760 
Hf       9.28342887       8.76350442      10.07743804       4.02660818       0.01540037      -2.92370207 
Hf       7.19225643       5.07797178       4.76672735       2.41550494      -0.88383214      -3.09012110 
Hf       8.61073900       9.51626647       5.02540299      -0.73213801      -1.51861179      -0.33461277 
Hf       5.91705320       3.91372296       7.22861504      -1.05449626      -1.70978227       1.16710175 
Hf       2.60174847       1.99144014       7.03695150       2.92540428      -0.12607537      -0.90278994 
O       9.51553019       9.02865023       3.13012428      -1.63168094      -1.97713164      -1.33313064 
O       3.79791109       0.52665312       7.89666316       0.23675996      -0.60033448      -1.92380503 
O       1.90079125       5.23924630       8.85369864       0.06126030       0.35343736       0.63675274 
O       5.86205096       0.40836458       4.74244112       0.07591635       1.06981289      -1.37184303 
O       3.63927509       7.87484936       9.45894803      -2.04610840      -0.12376434      -0.32042934 
O       2.48036826       8.93189757       0.94864232       1.64394477      -0.89560817      -0.63296359 
O       5.45644379       9.62316603       9.20787987       0.71427158      -0.16373806       0.33724396 
O       7.25508079      10.25495206       6.67616406       0.56329701       0.94784740       1.13357609 
O       4.38894276       9.42992159       5.08815504      -0.38679692       1.50704895       0.08091753 
O       4.82381293       3.32011182       0.48392736      -0.26667641       0.84900224      -0.91931732 
O       3.80878091       8.26786391       3.17815424       0.20504100      -1.26564775       0.03433590 
O       7.76748645       4.70682726       6.73520802       0.08275207       1.01644732       0.46743950 
O       5.45096339       8.81371835       1.16749639      -0.42204825       0.42128161       0.57859044 
O       3.75869942       3.51821677       7.78931154       0.33524685      -1.15620870       0.59765928 
O       0.81929549       5.02581911       2.89624099      -0.65332493      -0.06700381       0.32808869 
O       6.98212513       8.91152864       3.64198278      -1.28275502       1.15509546       0.22708319 
O       7.94173878       6.91999351       8.83985624       0.41676800       0.46866830       2.07105262 
O       7.57481641       1.03234488      10.05867738      -1.26367249       0.10326111       0.39310603 
O       1.99659322       0.51332878       5.51034661       0.72800099       0.46755474       0.05167439 
O       7.34019077       6.27982312       0.92109256       2.31024125       2.47025091      -2.21302742 
O       0.61075074       3.43592283       6.74684647       1.62795359       0.87156825       2.19822728 
O       7.45801172       4.00460993      10.61825296       1.52288721       1.00028179       0.10418119 
O       9.25008029       1.53239372       6.55549819       0.24259608      -0.97188037       2.09954513 
O       5.00563952       6.03247805       0.07447910      -0.89184058       0.76936240      -3.03073093 
O      10.06488592       0.90437094       0.47767518       1.36941343      -0.64171888       2.33723683 
O       8.56997683       7.74735919       6.11418065       0.54633807      -0.68004631      -0.21716934 
O       0.16129678       2.12495375       4.29121921       1.73768326      -0.68820447      -2.62156389 
O       8.82389521       0.60433582       3.97338291       0.72626672      -1.68695350      -0.02152323 
O       0.73987056      10.14675331       2.98329284       1.02893242       3.04537013       0.66678975 
O      10.09870631       2.06103973       9.31634959      -1.98201558       2.62132154      -1.20789215 
O      10.33181076       4.11865439       0.25232836      -0.51621220       0.19239380      -0.14977041 
O       1.47628716       9.61469959       8.67762983       1.87295257       2.54903911      -1.29240387 
O       3.47314224       3.17008774       2.72718517      -0.28717444      -0.15517585      -0.80499246 
O       2.85697353       5.67426086       4.54886805      -1.43015970       2.26394236       1.65423352 
O       1.07010580       7.75746733       4.08932636       0.33576332       2.85331158      -2.82222210 
O       5.46129442       6.08820691       5.16146252       1.01326677      -1.43311648      -0.56310363 
O       5.35703034       8.07514220       7.00683236      -0.55735334       0.67958518      -0.33336077 
O       6.19380327       3.82538203       3.12611046       1.04431366       0.42909889      -1.02601830 
O       1.49082525       2.05683094       1.90659799      -2.36952535       0.95033565       0.37086746 
O       9.78197160       5.18389535       4.97412719      -2.40248646      -1.08758832       2.04736407 
O       3.19301540       2.97623197       5.09527714      -0.99039332      -0.81068463       2.37524237 
O       9.92126558       5.11923366       8.82573439       0.13829608      -1.70876448      -0.82433495 
O       0.31980358       6.72882730       6.73864134       3.27315020       0.25958374      -1.61153949 
O       2.64832900       8.09180802       6.40527089      -2.26042571       0.64210462       0.70607133 
O       5.15713995       5.54981904       8.22762904       0.07595071       0.21721736       1.22625903 
O       6.60962216       2.03840454       7.61964266      -2.79841012       2.43124159      -0.01117651 
O       4.41827090       0.54813797      10.76566413       0.72696502      -1.53241488      -0.18026639 
O       5.70826461       3.51813220       5.35299145      -0.99763240       1.24698309       1.66310107 
O       9.37289322      10.45769365       8.92814973      -0.06124657      -2.36487885      -0.05565344 
O       8.04243599       2.89133348       4.83956269       0.19711386       1.97946539      -1.47951902 
O       4.53809290       5.64882918       2.35978664       0.65447525      -0.22896279       2.48740965 
O       1.96355427       0.63662199      10.60555970       2.42921563      -1.08383591       1.43094424 
O       7.90099659       9.23922219       0.40735005      -1.66653131       0.97221878       0.91143933 
O      10.50501263       9.59997446       5.59734244       0.80142718       0.33942312       1.12430710 
O       2.35537570       3.21065699      10.51054557      -0.82892819       0.58938031       0.39136302 
O       7.75911435       6.26906067       3.19915348      -0.39436264      -0.30968332       1.73872552 
O       3.35391462       0.47498758       2.82704373       2.20603126      -0.56441654      -0.66201060 
O       6.30482543       0.46861272       1.94427782      -0.97096689       0.11197170       0.49067493 
O       9.75654068       7.32269226       0.79514812      -0.31321552      -0.26887605      -0.40201366 
O      10.77831461       7.62233916       9.08159183      -3.80813989      -1.09033910       0.73766419 
O       2.46615869       5.78141772       0.79793277      -0.81645892      -0.58606704      -1.12432681 
O       8.57575991       2.03975649       2.01853197       0.89542819       1.56385330      -1.21472084 
O       0.34992011       9.39834987      10.64453665      -2.69104240      -0.41382372       3.68743733 
O       1.41082959       1.71680771       8.49936835       0.25877162       0.62903393      -0.95184462 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0034220682594047255 -0.0026183461458233756 -0.00023060069982516626 -0.0026183461458233756 -0.015402135750600513 -0.006978934921929427 -0.00023060069982516626 -0.006978934921929427 -0.0032508950151820867" pbc="T T T" energy=-936.86691919 free_energy=-936.86713202 config_type=amorph 
Hf       8.82379751       2.41681392      10.83433203       0.21098912      -2.32515431      -2.52594963 
Hf       3.79989509       7.29159172       1.65541975      -2.13359002      -1.49286239      -1.48440184 
Hf       7.76181856       7.76433029       2.21768261       0.90984246      -1.44665894      -2.10517738 
Hf       6.33824707      10.39574128       0.20473993      -1.78738379       2.02821438      -2.57315872 
Hf       3.39639709       5.11226941       9.68501300       1.03852249       0.06746826      -0.77554150 
Hf       0.72084815       3.55573093       8.79866883      -0.88934805       0.62448180      -0.65018446 
Hf       0.36754650       0.21126503       9.66976002       3.88842517       2.01828285       1.70541060 
Hf       4.04461899       7.51656193       5.39111932      -1.48156679      -3.60550735      -1.66295348 
Hf       4.77945513      10.28909608       3.40612982       0.76459899      -1.29881967      -3.96769662 
Hf       1.07576707       4.28241416       1.69415569      -0.13292889      -3.53317533       2.16087880 
Hf       0.33567852       8.29539814       1.85806494       0.66588926       0.39020262       1.11370662 
Hf       2.35889175       1.90935485       3.49143401      -1.41982417      -1.29974187      -0.40407102 
Hf       9.13278012       5.59395678      10.51822406       1.10370626       0.16635783      -1.21336032 
Hf       9.31042864       6.51542530       7.38592471      -2.64217374      -0.82727047      -2.24140014 
Hf       3.56983736       2.01072603       0.48709666       0.67598992      -0.54561840      -0.51656596 
Hf      10.05636508       3.22010192       5.44585157       2.16070578      -0.03205561      -1.38701403 
Hf      10.25737737       1.04282474       2.42067292       1.42042880      -1.60622755       2.69077036 
Hf       5.47959466       7.34635946       8.92576720       2.89844172       2.85775375      -0.17127577 
Hf       7.21498965       1.58547851       3.41452048      -2.52234817       1.93956977       0.01318576 
Hf       4.64532455       4.15824397       4.12859426      -1.99683045      -0.49060951      -1.77387654 
Hf       5.26964118      10.06584247       6.63834972       2.42752068       3.88864595       1.33274180 
Hf       1.49571137       7.75455609       8.27451246       0.05469803      -4.22176540      -2.78406331 
Hf       0.74781058       6.07912209       4.88533973       2.73447264      -0.70285072      -2.66329922 
Hf       3.32521344       9.50582547      10.16928765      -1.27526005       2.31562569       2.00181139 
Hf       1.11935906       9.82023051       5.06437700       1.54443471      -2.50092261      -1.69585072 
Hf       6.22572695       4.98441837       1.00985299      -4.73052526      -2.81379948       0.77841764 
Hf       8.45597113       0.93333897       8.07707235      -4.33699798       0.81121518      -1.96919534 
Hf       9.09218622       8.77612906       9.91371454      -2.18486996       2.42345468       3.24734019 
Hf       7.60346755       4.96282919       4.86410849      -0.68308800       3.82950386       0.99367311 
Hf       8.48922667       9.30481851       4.72751688       0.19085463      -0.16371495       2.51036227 
Hf       5.95161053       4.06734028       7.46813278       1.85799810      -3.32799314      -1.73356998 
Hf       2.80980209       1.91290477       6.77026256       1.34958451       1.33119074       1.43771609 
O       9.30497213       8.65651420       3.02616245       0.33707725       0.05903611       1.60737929 
O       4.48799958       0.95165225       7.13383639      -0.48003776      -2.78882744      -0.01335695 
O       1.55361671       5.55171109       8.76471186       1.02086636       0.98047155       0.40715396 
O       5.93103533       0.38343120       4.60534904       1.50852032       0.59504139       0.25390884 
O       3.34952474       7.57965781       9.08053746      -0.51060486       0.45302908       0.67280762 
O       2.10882781       8.38127013       0.82201425       1.96448384      -1.09902024       0.41834290 
O       5.28022179       9.50033834       9.38879573      -0.47230924      -1.39687158      -0.89855914 
O       7.28856073      10.38160575       6.91081815      -0.23142517       0.27565965      -0.57230411 
O       3.95719759       9.77037375       5.10040688      -0.20969228      -0.99919680       1.06639372 
O       4.71080829       3.71436714       0.09718268      -0.15776876       0.97296021      -0.71139330 
O       4.08229361       8.00928859       3.38745210      -0.18427512       1.32527853       0.97338389 
O       7.45582981       5.38862583       6.87613196       0.93555538       0.09115203       0.48308079 
O       4.52390330       9.01778594       0.95362202       2.00092977       0.70149818       0.03032398 
O       4.08938955       3.41374621       7.54562680      -2.21632975       0.04927202       0.13715567 
O       0.28774051       4.73109916       3.50475662      -0.14380182      -0.44111914      -1.39603711 
O       6.68143265       8.65097040       3.52566369      -0.33271443       2.08155730       1.54749846 
O       7.62527928       7.74965108       8.87071328      -0.14182344      -0.58237924       0.34602031 
O       7.73681592       0.70982677      10.02254024       0.36641331       0.51489883       1.35342058 
O       1.87090639       0.67532644       5.30313284       0.88440403       1.18212633       1.09779385 
O       7.31193491       6.41638498       0.33263993       1.66856390       1.93406866       0.58614009 
O       1.01770594       3.58776632       6.83692095      -0.78874004      -0.80321174      -1.50215394 
O       7.78405163       4.12143655      10.66304544       0.46667623      -0.70115851       1.14055238 
O       9.23062102       2.13125858       6.73762290      -0.06299383       0.04311431      -1.77825063 
O       4.90261188       6.22094027      10.56558212      -0.31251941       1.46944155       2.77437391 
O      10.23569428       0.70990157       0.53063577      -0.37785124       2.17909737      -1.45320565 
O       8.50636343       7.69647183       5.95691429       0.20534115       1.76340349      -1.33767927 
O       0.28575694       2.08312418       3.91248121      -0.98312741       1.25346886       0.36855083 
O       8.76646245       0.34439161       3.62808761      -0.72455936      -0.54342662       0.89979078 
O       0.59869561      10.39029746       3.17059170       0.53086089      -0.98088463      -0.90937344 
O      10.02785421       1.85861265       8.91437420       1.12024493       1.76295380       3.44843062 
O      10.54669726       3.91457334      10.77449252      -1.90316733       0.46614361       2.14810391 
O       1.50028081       9.52166154       8.98236652       0.64690335      -0.00938153      -0.26085895 
O       2.77466547       3.70184378       2.87114966       1.73969532       2.86000919       1.42160466 
O       2.77578704       5.90848287       5.00137873       0.05048425       0.32553084       0.24322949 
O       0.86858772       7.64368364       3.72535639       0.53443034       1.13735684       0.98833770 
O       5.34686466       5.74947211       5.09909989       0.43917193       1.21993813      -0.07838955 
O       5.16730151       8.02096015       6.98262039       0.24272900       0.73459873      -0.00181830 
O       5.54499491       3.04913983       2.58988703       2.32322211       0.80794889       1.36187597 
O       1.75744058       2.32979909       1.56030814      -3.13897644      -1.48995917      -1.29443929 
O       9.63554164       5.34511451       5.40240603      -0.75430529      -2.21943858       1.04540368 
O       3.58184428       2.48506874       4.88158517       1.22487911       1.32928208       1.22240671 
O       9.69608681       4.86180607       8.58984213      -0.39000652       0.69980573       1.10688271 
O       0.31484429       6.65678361       6.62037137      -0.21087218       2.75315534       4.54489126 
O       2.43248247       8.25729622       6.49498646      -1.34580906       0.65474939       0.25834637 
O       5.08185151       5.60886908       8.30906207      -1.17691431      -0.83945754      -0.08887739 
O       6.95626755       2.66930349       8.41595773       1.12710422      -0.38336804      -0.57034722 
O       4.95451246       0.93221762      10.40000761      -1.54128517      -0.34549998       1.12841083 
O       6.37761452       3.48551317       5.33086369      -3.31672769      -0.96612665       0.72765922 
O       9.66925846      10.27862707       8.77361983      -0.87507296      -1.79507900      -1.05989454 
O       8.35381536       3.25367479       4.29485468       2.33996913      -2.03075296      -1.23781674 
O       4.74567849       5.62688076       2.23275091       1.00639896      -0.04021561       0.82273505 
O       2.24858470       0.35537608      10.76896218       1.00499122      -0.73920356      -0.76420418 
O       7.88278960       9.26710872       0.77403825      -0.01069870      -1.11582325      -1.04363914 
O      10.29349584       9.98322631       5.72706935      -2.62277547      -0.49490961       0.41664989 
O       2.22182833       3.68903708      10.19025563      -0.26989713      -3.43429452       0.32207731 
O       7.60441552       6.00359416       3.12541696      -0.37863304      -1.11637600      -1.01100751 
O       3.65828371       0.81233786       2.34772880       0.11130529      -0.81341767       1.29269066 
O       6.15376468       0.43553805       1.86449864       1.06745683       0.15718021       3.41376135 
O       9.68736296       7.21295539       1.10066245      -0.53530448      -3.33061306      -2.01413407 
O      10.14121798       7.51535579       9.07502905       3.33667238      -3.07237002      -1.64151588 
O       2.04697423       5.65868111       1.09760703       2.91104532       4.43665721      -1.48132527 
O       8.57681091       2.08736674       1.90065207      -0.68805630       1.42893342      -0.81973902 
O      10.84439316       9.28932811       0.33217376      -2.53019229       2.31727616      -3.87292453 
O       1.67577294       1.39258852       8.38852728      -0.71560490       1.02629600       0.01159051 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.012971268928904347 0.0016715675695372126 0.0015253938412730585 0.0016715675695372126 0.011297943382148247 0.00414715961008236 0.0015253938412730585 0.00414715961008236 0.034404808817192795" pbc="T T T" energy=-938.92965986 free_energy=-938.92969865 config_type=amorph 
Hf       8.63770089       2.36469122       0.27261846       2.31307831       2.49048390      -0.37813942 
Hf       3.56636300       7.11510612       1.47924704       0.07508738       0.75231837       2.00045663 
Hf       7.58517631       7.67708671       2.07418559      -0.48222154      -0.28868496       1.26658367 
Hf       6.26878122      10.36264414       0.48270819      -1.72527969       0.37821972      -0.99670068 
Hf       3.70213115       4.58613393       9.51938138      -2.49353471       2.21547363       0.79239733 
Hf       0.45632223       3.69149170       8.57731997       0.50099073       1.70883741       0.05885482 
Hf       0.30642246       0.66854578       9.73693377       1.79201042       0.15023769       1.20805088 
Hf       4.23179159       7.53863357       5.40059030      -0.86776716       1.45162299      -1.91046593 
Hf       4.80280749      10.09136090       3.33060710       0.18681742      -3.75519184       1.27538946 
Hf       1.24563603       4.13558891       1.62265764      -1.84910240       0.63286136      -1.36495051 
Hf       0.21224167       8.26754604       2.14520271       0.42751060       0.98892133      -1.80128747 
Hf       2.37592766       1.52648547       3.64881968      -1.84029566       1.35722252      -1.75752861 
Hf       9.10391620       5.73109044      10.41567030       1.24902145      -0.26028108       1.11825380 
Hf       9.34792044       6.52708101       7.35387402      -0.68946496      -1.35274662      -0.26682190 
Hf       3.45430439       1.98837234       0.58233735      -1.26695947       0.17201988       0.58974343 
Hf      10.17559704       3.51208184       5.02229535      -0.06360522      -4.93103034      -0.25975402 
Hf       9.98719757       0.53940348       2.48152468       0.37745918       0.63137225       2.23880858 
Hf       5.64318007       7.47386396       8.91909759       0.60977958       0.99582738      -0.14059213 
Hf       6.96775945       1.75197548       3.82205032       2.33753394       1.29259308      -1.36443928 
Hf       4.58342624       4.16822552       3.92553403      -2.66098173       1.65285608      -1.39594813 
Hf       5.71730373      10.29948486       6.60159898      -6.50166286      -0.36605081      -1.09252221 
Hf       1.61704088       7.50643544       8.36350847      -0.71979284       0.01684821      -0.75651170 
Hf       1.01269193       5.93882857       5.06455559       2.85070475       0.41684808       0.62165874 
Hf       3.32545119      10.26808728       9.24195431       2.17084321       0.51608815       0.40566984 
Hf       1.12801885       9.47393523       5.21915356       1.18152374      -0.92680209       0.06875302 
Hf       6.00533009       4.76454761       1.06251232       2.35900869       0.69052382       0.57697711 
Hf       8.64569931       1.14159006       7.70109393       0.68456656       3.02231081      -1.83420881 
Hf       9.32920320       8.84843819       9.94699016      -1.32517256       0.09908698       1.39468596 
Hf       7.48449799       5.59399260       4.97315848       0.99811809      -0.96739023       0.30237781 
Hf       8.44476280       9.22571590       5.01455281      -0.41333137      -1.21244242      -0.71640782 
Hf       6.02827447       3.91694936       7.33920729       1.88286971      -0.48059120      -0.83111259 
Hf       2.67543386       2.13060807       6.74902827       0.14669010      -1.01069551       1.00576395 
O       9.24801954       8.42341844       3.23094764      -1.56013216       0.90053846       0.45882836 
O       4.13141116       0.56768007       7.68124893      -0.15430279      -0.95052917      -0.89416371 
O       1.77468808       5.43287810       8.98698427       0.67205279       1.42098519      -1.23761264 
O       5.46941758       0.76273384       4.63287350       0.44375280       0.20265938       2.07572640 
O       3.35052364       8.19506353       9.17241963       0.51484131      -1.23117180      -1.14201516 
O       1.90141983       8.07176348       1.08900662      -0.87078070       1.33218121       0.48635346 
O       5.51420464       9.44283903       9.43223953       1.19675389      -0.99711664      -0.10073899 
O       7.54246879      10.72180594       6.35544670       1.87446672      -0.13801710       1.90853590 
O       4.11660026       9.67653993       5.26753820       1.00685179      -0.02146593       0.97390410 
O       4.82118710       3.57987125       0.02845898       0.19244118      -0.90890522      -0.24267004 
O       3.73120927       7.94006006       3.49798257      -0.36444749       0.36319864      -0.49085350 
O       7.67236865       5.15592013       6.98794359      -1.97116560      -0.41187575       0.25393188 
O       5.24258040       8.62672662       1.68998283       1.60516198       1.33766778      -1.66713583 
O       3.93192821       3.20158911       8.14660279      -0.07163946      -1.18706399      -2.92854629 
O       0.57691417       4.52152761       3.53738672       0.16896867       0.87871825       0.67637249 
O       6.37695315       8.76393281       4.13402657       2.98432445       0.89471952       0.19597214 
O       7.87588571       7.49368801       8.92887537      -1.08813704       0.05733147       0.19126801 
O       7.51548498       0.91678595      10.66026469      -0.94027993      -1.56706014      -0.87060993 
O       1.99734589       0.39935011       5.57085759       0.37054758       2.11921101      -0.13206354 
O       7.25345744       6.48358413       0.42322770      -1.43220868      -0.89359811       0.25788223 
O       0.99299621       3.79418420       6.39156071       0.79366085      -0.45554817       1.05929132 
O       7.92523168       4.24958061      10.55833235      -2.71680847      -3.02828064       1.18278687 
O       9.79738297       1.96709040       6.32977976      -1.12722171      -0.82011335       1.67858913 
O       4.30410539       6.29636279      10.65611648       3.40788543      -0.03337494      -1.62038275 
O      10.45831920       1.43567460       0.85493530      -0.67761824       0.14877605      -3.53113900 
O       8.23416316       7.49770910       6.11711860      -1.04651273       0.68378383      -2.89164577 
O       0.33298592       1.83048631       3.77134795      -1.29827784       0.43583830      -0.01831783 
O       8.47478141       0.15343808       4.18106230       0.48197457       1.59920202      -2.29574590 
O       0.66831095      10.29751085       3.11738108       0.26232331      -3.03774942       1.29662280 
O       9.63791842       2.26048251       9.17399597       1.56231686      -0.76418544       1.34627145 
O      10.37195390       4.09813598       0.41387918       0.32630472       1.46009514      -0.28666250 
O       1.52613122       9.87129873       8.58380285      -2.31934007      -0.78871984       0.59316486 
O       3.58365501       3.06241673       2.42506389       0.86449291      -0.11778751       1.71071356 
O       3.17504226       5.86951026       4.97613193      -2.26618317      -2.02216692      -0.05517056 
O       0.79480962       7.55739683       3.93059994       0.17474264       0.26627722       0.61119556 
O       5.70713154       6.29989523       5.08625312       0.55294442      -1.23166798      -0.43513570 
O       5.66310996       8.29432217       6.91612615      -0.73369202      -0.21343035       2.14339823 
O       6.17901528       3.56414711       2.79794683       1.44068883      -2.17268746      -0.14330944 
O       1.68797744       2.27149195       1.64912675       0.01464711      -1.56712096       0.42385374 
O       9.71144726       5.29103126       5.61205423       0.72651609       2.01784712      -1.25363649 
O       3.38953902       2.89045227       5.00909163      -2.36691874      -2.16781691       0.88304574 
O       9.73650831       4.85686241       8.41483485      -0.00712704      -0.87182224       1.98617975 
O       0.50431126       6.48250446       6.94725406      -0.39530369       0.22162311      -0.09733820 
O       2.18985949       7.99441928       6.34670960       0.93442651       0.81019169       0.25253464 
O       5.14308813       5.41270351       8.19390342      -0.41822014       3.27659356       1.63482206 
O       7.22405472       2.55430096       8.02363809       0.05751828      -2.04689700      -0.30458063 
O       4.54921350       0.48616529      10.52616853       1.37844646       0.76562425       2.04663852 
O       5.65011718       3.74639406       5.42665252       2.58943102      -0.97824688       2.00606619 
O       9.67155197      10.51785755       8.79973058      -1.14798764      -1.42242055       0.20684079 
O       8.21603889       3.33641981       4.79488007      -1.18043746       0.00522621      -1.43706929 
O       4.86436828       5.42590419       2.42134298      -1.98080232       3.86208837      -1.22176186 
O       2.18700057       0.58032382      10.63107356      -1.37357506      -0.72041377      -1.69009760 
O       7.81528560       8.96289172       0.55141832      -0.35350325       1.83455752      -1.41931169 
O      10.42418028       9.16154579       6.26178256      -1.23558706       0.79861406      -1.62139146 
O       2.21961515       3.42834661      10.20227666      -0.44475961      -2.19995459       1.10125584 
O       7.71739530       5.92594598       2.95329400      -0.00083610       0.04060280       0.83848862 
O       3.26841968       0.20205352       2.53505816       0.14512880       0.46470262      -0.07854439 
O       6.05776317       0.50324094       2.32943790       0.86310661      -0.50309894      -2.07331015 
O       9.77179159       7.05197225       1.02766817      -0.06360610       0.44869226      -0.49781439 
O      10.19477741       7.17130257       9.11547453       2.91298787       2.60254234       1.40398403 
O       2.26281077       5.66639304       0.99463877      -0.25661887      -1.46505669       1.62477229 
O       8.41414167       1.87811860       2.18664459      -0.66335487       0.38533615       0.94314650 
O      10.19465528       9.81374850       0.63680275       1.16447993      -0.75291160      -0.10974101 
O       1.03100835       1.77393747       8.13939992       1.63848324       0.00371469       0.23004454 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.011291393623611163 0.005053120826315331 -0.00894272819487643 0.005053120826315331 0.024690341212348817 0.00855840860613312 -0.00894272819487643 0.00855840860613312 0.010555230615932854" pbc="T T T" energy=-931.92421407 free_energy=-931.92423697 config_type=amorph 
Hf       8.62556456       2.25917041      10.47409197       1.07224682      -0.57166462       3.00070471 
Hf       3.79412916       7.47213118       1.94837251      -1.64629625      -1.02841352      -0.41537571 
Hf       8.04375808       7.68389615       2.01504567      -1.41917291       0.90700382       1.81861302 
Hf       5.97179370      10.44319476       0.68202938       2.40484789       1.02250117       0.70068526 
Hf       3.27756085       4.81004489       9.42401279      -0.30355923       2.31415127      -0.65831101 
Hf       0.00424842       3.70322797       7.45252133       2.25641279       3.82892754       1.85366150 
Hf       0.90814928       0.90944553       9.37890276      -4.32184093      -0.39302095      -3.34804905 
Hf       3.91427490       7.42910665       5.96684244       0.71544303       0.77313121      -0.53120146 
Hf       5.23756845       9.82468086       3.78751373       0.79487266       1.36092707       0.85840711 
Hf       1.16355249       4.29385861       1.72498961      -3.74989646       1.33994294       0.99568527 
Hf       0.39287114       8.38561908       1.70218484       2.02374143      -3.27035735       3.47783344 
Hf       2.47424397       1.19948813       3.70790923      -0.46015656       1.14488098       1.13164308 
Hf       9.10359735       5.54159415      10.68169233      -1.19798637      -2.33798243      -0.76956820 
Hf       9.39574380       6.62616725       7.32159544      -2.81837420       2.02192457      -0.12556326 
Hf       3.25919981       2.07802625       0.70272030       4.48579183       0.70837779       1.48199050 
Hf      10.61401116       2.75552787       4.65790426      -1.60552767      -3.01852621      -0.41826881 
Hf       9.92907065       0.62872551       2.12395181       1.39210798       1.24918402      -0.58101803 
Hf       5.86797452       7.36936876       9.36330369      -1.59559341      -2.06262045       0.51867162 
Hf       7.18528002       1.85954662       3.63671071      -2.45874080      -1.11503510       0.97899708 
Hf       4.30920386       4.47454322       4.13884278       0.25382194      -1.66115099      -0.68014175 
Hf       5.62801818      10.12200189       7.29658716       2.44272496      -2.05658510      -1.62158639 
Hf       0.99285768       8.58936727       7.99175534      -2.77450290       1.18875290      -5.02450509 
Hf       0.88388119       5.86411172       4.78591413      -1.76655776       1.72082359       2.05611037 
Hf       3.24925885       9.07360751      10.04822759      -2.68982447      -2.66888820      -1.84493917 
Hf       1.17272459       9.57167659       4.80494229       0.43780006      -1.34121373       3.72660882 
Hf       5.99124754       4.47909063       1.10661456      -0.30909787       1.80944846       0.35143726 
Hf       8.56316121       1.20726997       7.69939784      -0.77083088      -1.49831206      -2.72863690 
Hf       9.13064250       9.35078598       9.90817791      -1.03818920      -0.32222917      -0.75697188 
Hf       7.22929248       5.28893185       4.97567694       2.28573789      -0.68101846      -0.47079834 
Hf       8.70849414       9.26933959       4.95565542       0.63242650       1.45132550       1.29237558 
Hf       5.92471888       4.04080049       7.58508848      -0.37945410      -0.02827156      -1.70271957 
Hf       3.21612621       1.67187930       6.94358135       0.20780343       2.90096324      -2.63808119 
O       9.66027623       8.55911906       3.05767467      -1.29500535       0.36882196      -0.76676591 
O       4.48951002       0.57922104       7.99777813      -1.09008253       1.01438697      -0.79764125 
O       1.57127480       5.03366685       8.66033173      -1.09736460      -1.62009395      -1.22080991 
O       6.09849993       0.66976451       5.08862827      -0.50488406      -1.72440283      -0.85043291 
O       1.89798965       7.65328761       9.19870527       3.81619103      -0.81263307       4.22228912 
O       2.44105922       8.78745844       1.08053920      -0.74503039       0.02010419      -1.10234413 
O       5.25893714       9.32800140       9.93048371       0.31528937      -0.75413241      -1.35480907 
O       7.81531557      10.26651256       7.11991560      -1.84914070       0.67681780      -0.32641297 
O       5.22504379       8.91661202       5.71717421       1.23523544       1.35489067      -0.56995121 
O       4.70478127       3.82521733      10.70384745      -1.11591028      -1.18951599      -0.28054644 
O       3.82610441       8.38545113       3.71410887       0.14499466      -2.52270799       0.34116484 
O       7.25089664       5.40986717       7.02886579       0.53444652      -0.10889614       0.17655040 
O       5.08410681       8.88723221       1.63583868       1.12741062       0.71411224       0.58249576 
O       3.76814359       3.64862416       7.63457873       1.54154329      -1.97136462       0.57707492 
O       0.13124528       4.38188525       3.73857151       0.82698062       3.45581558      -2.47872811 
O       7.31593537       8.84282426       3.66087556      -3.59115963       0.42604724      -1.59646444 
O       7.73504286       7.86827193       8.97454125      -0.57450289       0.55937672       0.24321788 
O       8.00544359       0.31243819       9.85068445       0.30693444       2.55354834      -1.07061224 
O       1.08610667       1.14824491       5.36318981       0.41843343      -0.01008814      -1.57023020 
O       6.97855306       6.16174140       0.25809406      -0.05748379       2.56616595       0.21747771 
O       1.11368878       3.80185368       5.86954413      -0.39633264       0.46251672      -0.90975507 
O       7.46283390       3.97835686      10.52671634       1.88666396      -2.08414843       0.01065824 
O       9.62337784       2.23023093       6.33486227       0.45563313       0.68711606       0.13560294 
O       4.01541657       6.75265321      10.53559055       0.67931231       1.85416790       0.34879233 
O      10.45639295       1.41060183       0.09642795      -0.33405666      -0.35158450      -0.27335612 
O       8.27902881       7.73407513       5.89846157      -0.18835051      -1.91238814       0.65784367 
O       0.28076117       2.26761189       2.60632758      -0.51611802      -2.63445008       0.71574065 
O       8.90907521       0.91552716       3.93536642       2.26638412      -2.05009006      -0.22955000 
O       0.87801918      10.28438605       3.06179390      -1.31213632       1.71303093      -3.04311539 
O       9.85721803       2.62548200       8.65380337      -2.14816923      -2.75991871       4.10686233 
O      10.32750144       4.14848116       0.51769227      -1.48383321       0.66351696       0.21750155 
O       2.10123542      10.10737555       8.59474780       0.83600719       2.71483098       1.90445984 
O       3.64906449       0.71974091       2.24254346       0.44521920       0.11807067      -1.76884106 
O       2.89624284       5.82122018       4.77233097      -1.28879187      -0.06640836       0.48603005 
O       0.78231394       7.78545004       3.99508000       1.29231415      -1.51401578       0.28932360 
O       5.31684790       6.06416745       4.93752225       0.16848324       1.68756368      -0.41313507 
O       4.26946045       8.24802315       7.86384014       3.03989244       0.54590441       1.68394339 
O       5.59646742       3.47994625       2.77571126       0.90594742      -0.99558743       0.81206142 
O       2.61394961       3.16935440       2.54345339       1.53190998      -0.80209727       0.38628123 
O       9.55511618       5.35773438       5.78995234       0.74793783      -1.47609632      -0.27601586 
O       3.60257961       2.36318360       4.96468509      -0.34421572       0.26374355       0.68464361 
O       9.55564282       5.34188680       8.83259843       0.37684972      -1.13918924      -0.90096552 
O       0.38344879       6.88929606       6.80441982       1.59340544      -0.59588935      -1.51228164 
O       2.43479401       8.64789284       6.37035292      -1.80235089      -0.84049232      -1.34248045 
O       4.99075795       5.77605511       8.34853776       0.40945798      -0.20120770       0.61557134 
O       6.92919699       2.33183726       7.25900765       1.44792626      -0.92819573       2.57592183 
O       5.28412303       1.14259960      10.72049699      -2.56642438       1.69624378       0.22542402 
O       5.71076744       3.91882958       5.57442770       0.33977953      -0.86514462      -0.18466533 
O      10.27953217      10.44321561       8.44620779       0.53267814       2.10118339       2.09608687 
O       8.15571389       3.41070534       4.11079536       1.00362283       3.12477910       1.46088928 
O       4.43222642       5.61925221       2.12446803       0.44581777      -0.70441492       1.05024807 
O       2.15811168       0.73628134      10.70727177       2.64221961      -0.27821661       2.08105200 
O       7.75703937       9.39141266       0.83985668       0.35429244      -0.95819434      -0.93290079 
O      10.38810632       9.51264631       6.07148203       1.42891664       0.17293219      -1.76680472 
O       2.15357850       3.93552362       0.16150490       2.03036159      -2.19727051      -2.30524822 
O       7.45594597       5.99650756       2.96961697       0.29083986       0.35327277       0.21885777 
O       3.07956392      10.32820960       4.66890501       1.06850278       3.24962305      -0.29712626 
O       6.42241797       0.53468465       2.38729547      -2.01941244      -2.59129527       0.20092027 
O       9.57246780       7.19678245       0.73230465       0.90211387       1.40249819       0.87254928 
O      10.23023755       8.02632808       8.93358247      -1.53883044      -1.10629604       0.36969951 
O       1.19628529       6.32367360       1.79362766       0.76331987      -0.06256383       0.27066713 
O       8.33668750       1.77145234       1.60610635       0.51374616       0.73243314      -1.46858156 
O      10.43138858       9.70360419       0.63727815      -0.81932859       2.07094684      -1.44973956 
O       1.65153665       2.24382690       7.91718853      -2.13114562      -1.21668459       2.20051461 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.011397196827701956 0.0030934660796168825 0.005119773140806525 0.0030934660796168825 0.03273047446155819 0.0075890434376259756 0.005119773140806525 0.0075890434376259756 0.013964063655371997" pbc="T T T" energy=-931.25835225 free_energy=-931.25837042 config_type=amorph 
Hf       8.97584586       2.17617515       0.16138710      -2.18058478       2.27248732      -1.22786897 
Hf       3.50301146       7.27162448       1.58658976      -0.01953422      -1.20375030      -0.19116018 
Hf       7.95913035       7.72999682       2.23465718      -0.23173274       1.64078594       0.05422279 
Hf       6.50179850      10.78785301       0.65433306       2.16536955      -0.28133312      -0.73266244 
Hf       2.83389692       4.07710080       9.44432103      -0.29049005       1.34196373       1.34459126 
Hf      10.71183719       3.99457616       7.86151406      -1.98406452      -0.66373658      -0.21219143 
Hf       0.76505623       0.96323088       9.31347906      -0.92544350       0.39875873       0.16215178 
Hf       4.58212847       7.20770352       5.18158295       0.08510450      -3.90346273       4.09868429 
Hf       4.82661897       9.80375631       3.37871121       2.91806950      -1.33209190      -0.64535971 
Hf       0.86602171       3.79578324       1.86215584       0.31082784       3.06797609      -1.32322070 
Hf       0.39085620       8.10232783       2.49080600      -0.51823659      -3.42956506      -1.45373053 
Hf       2.59229497       1.16576176       3.98639111      -4.00888501      -2.31392386      -2.52692433 
Hf       8.65528059       5.40191369       0.09300125       0.84053207       1.18451945      -2.29312769 
Hf       9.07493221       6.92798282       7.78348048      -2.94900179      -1.74277853      -0.67441173 
Hf       3.86563525       1.51390468       0.90216471      -1.09447978      -0.65887018      -1.15835174 
Hf      10.17683760       2.67934291       4.56777039      -2.82149454       0.17151700       3.41747985 
Hf      10.46176501       0.37331362       2.35292748      -0.28869520      -1.34623774      -0.87709535 
Hf       4.93971263       7.29227328       8.80322372       0.86191708      -0.59723267       0.78952738 
Hf       6.71508564       2.40847330       3.58828851       3.18174520       0.35103990       1.89798329 
Hf       4.08842757       4.17739340       3.54836760       1.74920650       2.42434306      -1.18343243 
Hf       5.32773315      10.64909632       6.35950785       2.71743517       0.51581330      -0.84947791 
Hf       1.39063730       7.48405537       8.12760904       6.00579095      -2.73335120       1.39532216 
Hf       1.03461939       5.79887486       5.03021062      -0.00287534       1.95072699      -0.97176859 
Hf       3.52340882      10.24660677       8.89172175       1.27872126       1.71670875       0.69175768 
Hf       1.46603159       9.43580573       5.55860195      -0.33219997       0.86802283      -0.72014385 
Hf       5.48332892       4.51430248       0.56222844       2.65059451       2.32379265       0.13298415 
Hf       8.34590878       1.21969508       7.85674779       1.03768632      -1.64365809       1.95367633 
Hf       9.65258482       8.98469727      10.39114697      -1.70210762      -2.04400859       0.56830434 
Hf       7.81835643       5.56764497       5.10018335       0.60133695      -1.19830289      -1.64533168 
Hf       9.01059111       9.75038306       4.96905857      -3.46752550      -0.95228393       1.85561154 
Hf       6.09162742       4.04708502       7.64938366       1.19388994       2.52306626      -0.63379725 
Hf       2.65178176       3.18353650       6.46615142       0.24732599      -4.46202737       0.61016570 
O       9.62424646       8.95002650       3.31232140      -0.70314486       1.11291703      -1.39485330 
O       4.10224924       0.82628286       7.50944450       0.67051425      -1.08634868      -0.28374520 
O       1.57784409       5.72340696       9.46292645       1.27135144      -0.08142645      -2.48489689 
O       5.94455617       0.94420283       4.77226648      -2.10764331      -2.49384829       0.41585539 
O       3.19447363       8.20696211       9.12548757      -1.48538645      -0.12976956      -0.06879572 
O       1.85615509       8.22931568       1.30377424       3.79009011       0.13071871      -1.49154761 
O       5.34007564       9.21319428       8.43835082       0.27884407       0.14706292      -1.53231470 
O       7.60228920      10.73255830       6.49825466      -0.49331119       0.53761018       0.83659779 
O       5.52716518       8.90306003       5.35550003      -1.14874959       1.38774705       0.90601144 
O       4.55972105       3.04472075      10.55751161      -1.83295263      -0.18827686       0.23361410 
O       3.86825413       7.83434634       3.57579609      -0.96098570       2.83072980      -4.57983664 
O       7.42581490       5.66933012       7.14470469      -0.85599064      -0.13731343       0.00934967 
O       5.31043787       9.14433074       1.51041034      -0.97050308       0.16849006      -0.16595987 
O       4.08774416       3.60328951       7.77774712      -0.25881887       0.08330891      -0.11897269 
O       0.45988790       4.14818793       4.13798827       1.80242281       1.52352627      -1.78607910 
O       6.93207556       8.88708771       3.47034900      -0.53391598       1.44974409      -0.26837401 
O       8.07532762       7.29980531       9.76398543       1.65583584       0.58967611      -3.47195658 
O       7.45909301       1.00244862       9.91692238       1.25277877      -1.09873578       0.92483602 
O       1.21592694       1.82162784       5.65866515       1.32190551       0.64159602      -0.87136169 
O       7.34066150       6.25277873       1.13780098      -3.59541576      -1.22460667       0.31824830 
O       1.64313274       4.73680244       6.68675781      -0.87971843      -0.06302136       0.38591026 
O       7.45849287       3.65305790       0.13797547       1.21394236      -0.47686753       1.53726034 
O       9.98294350       2.19812693       7.18759699      -0.68224539      -0.14339995      -1.97573370 
O       4.55113714       6.56240534      10.85493589       0.06408788       0.17234748      -1.13373339 
O       0.13631770       1.33193999       0.64780611      -0.70262422       0.54325812      -0.50858269 
O       8.48435400       7.61335465       5.72313143       0.79978272       0.27647682       2.04058919 
O       0.72289664       2.10659151       3.09295741      -1.09202688      -2.20134364      -0.61237342 
O       9.30703494       0.78278750       4.05061855       0.36028136       0.57066223       0.24569449 
O       1.20677460      10.14546401       3.63960523      -1.24937008       1.67191254      -0.84440273 
O      10.07768090       2.71717864       9.47107817       1.36942689      -1.15218520      -1.19251239 
O       9.91018818       3.99390654       0.92482335       1.66659721      -0.55608548       1.46120077 
O       1.73822243      10.64660478       7.86086051      -0.64844535      -1.35201912       1.17759887 
O       3.44930177       0.06713803       2.33788860      -0.97698631       0.69575677       1.27849725 
O       3.13040969       5.62794425       4.55633658      -2.03766522      -1.21855017       0.97782156 
O       0.84420313       7.80351557       4.42835982       0.19344349      -1.20516383       1.25523123 
O       5.67601264       5.69644432       4.41879851       0.76725266       0.67606172       0.41102755 
O       4.52488917       6.31542743       7.11241147       0.92376751       0.63708310       1.74376906 
O       5.85094946       3.73447616       2.46653226      -1.54333308       0.72624720       0.38372708 
O       3.03577836       2.84222147       2.28997719      -0.30308121      -1.86187611       1.41723633 
O       9.59847877       4.56372781       5.87579164       1.00278075      -0.40030776       0.72022242 
O       3.53080657       2.57244042       4.76950441       2.57771825       2.83009501       1.44090990 
O       9.49900659       5.17356813       8.80257093      -0.10296681       0.70877397       0.38636753 
O       0.23501789       6.57289497       6.92527383      -1.42128856      -1.16342463      -2.82029742 
O       2.64136790       7.93275275       6.31341868      -1.34523276       0.57004900       0.83049170 
O       6.09811258       4.83196052       9.55411012      -1.36087778       2.03582064      -2.92716872 
O       7.29061888       2.77024280       8.27730830       0.19236507      -0.61569231      -1.17751610 
O       4.94236918       0.31869156      10.27335305       0.28192403      -0.48320197       2.10875290 
O       6.60588322       3.37698624       5.44390317      -1.12909303       0.86581393       0.72261992 
O       9.65281346      10.54730826       9.05400320       1.48890247       1.15867045       0.72443290 
O       8.32780504       3.62354813       3.62615767       2.29220912      -1.84035153       0.72935071 
O       3.73550665       5.05753869       1.80794492       0.50920109       2.40486213       0.09907819 
O       2.53611666       0.49876703      10.28593145      -1.51639783       0.91016660       0.50788578 
O       8.13495544       9.20080652       0.77552350      -1.28442504       2.02875672      -1.11498724 
O      10.48634598      10.18195963       6.09703172       1.00656894      -1.66331939      -0.16556906 
O       1.94313605       3.53402982       0.15176815      -0.94249912      -0.60455668       1.24864809 
O       8.56933750       6.40221243       3.42010283       0.83436865      -1.55698917       2.23943504 
O       3.27091013      10.37845502       5.07299500       1.56646671       1.09755372      -0.10915027 
O       5.59171863       1.26186662       2.20433721       0.56860076      -2.09545735      -2.94092414 
O       9.85832397       6.94778298       0.79414835       0.47925399       2.32288264       1.10517342 
O      10.56879517       7.91228286       8.65339365      -2.81256234       3.90404929       4.04251660 
O       1.07216406       5.98959857       2.32569810       0.18937951      -1.25723668       1.07664797 
O       8.38162611       0.99294051       1.56076215       0.06048710      -1.46177475       2.11227811 
O      10.81133044       9.71173246       1.02706184      -0.66708020      -0.44358827      -0.09947795 
O       1.65509971       2.69949569       8.50799145       0.10219145       0.70703801      -1.58911408 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.00014258582795068583 0.011163339483177161 0.0039113919143763855 0.011163339483177161 -0.0040860247147603375 -0.018989255906635683 0.0039113919143763855 -0.018989255906635683 0.016754881909708617" pbc="T T T" energy=-926.21461517 free_energy=-926.21464391 config_type=amorph 
Hf       8.75338238       2.52503101       0.27019413       1.47600472      -1.46972334      -0.96943060 
Hf       3.37375256       7.09455774       1.87324507      -1.17005758       2.04527613      -2.58558981 
Hf       7.70044667       8.04132387       2.04150165      -0.85332949       1.30088855       1.16299807 
Hf       6.60739280      10.77581862       0.74672548      -2.16144664      -0.41285079       0.58451111 
Hf       3.17441889       4.15577360       9.20309808      -8.74944969      -3.67999814       2.61951031 
Hf       0.04259798       4.40478686       8.03666964      -0.31006975      -3.25751943       2.45303709 
Hf       0.79030444       1.18505818       9.79532558       0.83542295       1.60168280      -2.33033225 
Hf       4.25492140       7.18863909       5.32978087      -0.78756128      -1.82610717      -0.72304183 
Hf       4.85258218      10.16955634       3.38292771      -0.44483199      -0.72935018       1.01648289 
Hf       1.12893187       4.08060252       1.78363101       0.10876489      -0.03475673      -2.44862886 
Hf       0.28616254       8.47288230       1.87489079       1.12205006      -1.62007459       1.34685320 
Hf       2.23017253       1.31048369       3.72023001      -4.22824397      -0.96507306      -0.22355789 
Hf       8.80282779       5.72080274       0.20546752      -0.25224159      -0.53975119      -0.08813121 
Hf       9.00210458       6.63483030       7.15893326      -0.92452101       4.26361793       1.28393550 
Hf       3.95934096       1.84826035       1.15938972      -0.41675929      -4.48712944      -0.02795032 
Hf      10.25571743       2.93760829       4.83070867      -0.61494303      -1.63860878       1.90694177 
Hf      10.05372482       0.46845020       2.20376225      -1.82851576       0.19705788       4.50086083 
Hf       5.32198351       7.36338365       8.93154191      -1.18554686       1.15720419       1.04815707 
Hf       7.07661641       1.85574755       3.82068621      -0.67278715      -1.28483611       0.60437075 
Hf       4.67739175       3.80388621       4.35305662      -4.27837001       2.16254097       0.37744477 
Hf       5.67084110      10.34112064       6.84949349       4.19213030      -2.99812297      -3.91443800 
Hf       1.75746066       7.44084445       7.89265000       0.72879621      -1.47062942      -0.87163130 
Hf       0.86922944       5.67493308       4.71694213       0.98026415       1.37406535       3.13760648 
Hf       3.67161728      10.21866347       9.47544633       0.58840489       4.43031025       0.70183080 
Hf       1.20872331       9.19404322       4.84764156       2.66326573      -0.71073701       0.32481447 
Hf       5.49035853       4.82976059       0.50516653       0.77099339       2.86583503       2.38623465 
Hf       8.57217025       1.45369855       8.00973305       2.09912571      -2.31834611      -0.76091158 
Hf       9.75634006       8.96501468      10.01562202      -2.49797542       0.84000684      -3.25073962 
Hf       7.60758732       5.03877477       4.55846236       2.95036046       4.54635346      -2.57867842 
Hf       8.96517775       9.65615809       5.31799738      -0.74080867       0.65208666       0.00592694 
Hf       5.81363799       3.98260778       7.38041761       2.55772458      -0.93589784       0.17488292 
Hf       2.43727328       1.60567547       6.65809885       3.20362789      -0.16598199       4.43453429 
O       9.11546205       9.30880420       3.24542232       0.87425312      -0.40215737      -0.03158243 
O       4.37827030       0.54443584       7.38139652      -6.18213449       3.39142399       2.75307057 
O       1.80291538       5.45097946       8.42264557       0.66588759       1.03494751       0.74544770 
O       5.77271775       0.75910782       4.97085671      -0.11574037      -1.81835495      -2.30573899 
O       3.49952396       8.44612300       8.62908669      -0.43661604      -1.88116688      -0.33467294 
O       1.92698157       8.56584610       0.88559345      -0.51589936      -0.60932069       0.87642541 
O       5.74357645       9.49547306       8.68132653      -0.64237398      -2.57548993       1.20518247 
O       7.59495225      10.79999379       6.59433390       2.31117280      -0.45871286       1.66932132 
O       5.05865885       8.89208587       5.56230277       0.68268180       1.20652164       0.25633014 
O       4.03631518       3.41065453       0.14062854       2.39405757       3.55250536      -1.82370000 
O       3.50573629       8.45655064       3.47873772       0.64938581      -2.28883235      -0.52625137 
O       7.79648890       5.26851614       7.67365523      -3.09431108      -1.54823511      -2.64764264 
O       5.05144664       9.58137208       1.15564764      -0.80403257      -0.95814821      -0.28591232 
O       3.74336297       3.15322586       7.68430098       2.38412590       0.09504462      -2.14471108 
O       0.84808483       4.00390166       3.78863584      -1.00235270      -0.37961018       0.68527903 
O       6.56170152       9.18126387       3.21448169      -0.27448368       0.70714586      -0.28279362 
O       8.45812677       7.66019106       9.03990035       0.69088210       0.64742223      -1.73559789 
O       7.84318895       0.81987967      10.50229213       2.24665258       3.55143795      -2.88592030 
O       0.96437503       1.25136081       5.64762597      -3.31507076       0.63026602      -2.47990732 
O       6.83959140       6.48305597       0.43692539      -1.19277165      -0.04249702      -1.65959028 
O       0.76946511       3.99907807       6.35871121       0.06309045      -0.25456807      -4.63287543 
O       7.62739008       4.11729507       0.47809337      -3.77384017      -1.50700966      -0.52784785 
O       9.51533402       2.74234879       6.81507545       0.15576182       0.50610535      -1.76796983 
O       4.03185387       6.85464038      10.64635791       1.60685509      -0.75444383       0.37855555 
O      10.48768066       1.23839560       0.50635823      -1.13094594       4.21872260       0.01760054 
O       8.21754717       7.91571857       5.68398089      -0.15659070      -1.31301805       1.56647528 
O       0.46274312       1.86698051       2.89820415      -1.60888203       2.00155104      -0.04463830 
O       8.89310301       0.95755355       4.75258259       0.72921425       1.07108888      -1.67221828 
O       0.66110830      10.40309310       3.27458696       0.67453179      -2.94513920       0.44281927 
O       9.69044747       2.62109799       9.22910385      -0.11213833       0.15151710       2.64738029 
O       9.95595871       4.37717153       1.29348350       0.84437207      -0.72958362      -0.52868242 
O       1.85129459      10.80236471       8.57547330       2.01714604      -0.11032969      -0.54804788 
O       3.23946956       0.34094548       2.53579835       1.43415701      -1.39244099      -1.75078327 
O       3.07863646       5.21810494       5.01219058       0.52350959       1.12832436      -0.98171702 
O       0.66311217       7.40566375       3.74001247      -0.28540334       2.73326780       0.03590863 
O       5.90401775       5.49189959       5.11941779      -5.83916969       0.78144609       0.68024664 
O       5.04956556       6.56584235       7.06751172      -0.30702000       0.50793029       3.16493704 
O       5.68160888       3.34742740       2.86196962       2.12287262       0.26157630      -1.02590884 
O       2.95436150       3.03671212       2.46894009      -0.77295115      -0.49034284       0.67678699 
O       9.52492453       5.45346654       4.64144427       2.47174828       0.42685907       2.47892877 
O       3.31692591       2.25847669       4.92693372       2.35075348       2.20702874       2.94088351 
O       9.46373861       5.35151249       9.33057469       2.65579361      -0.37219348      -1.54759375 
O       0.13177377       6.40970245       6.68573297      -0.59762780      -1.02963977       1.42867612 
O       2.31894902       7.68077093       5.95525815       0.83766355       0.27620792      -0.44989685 
O       4.78129442       4.94048560       9.20251531       7.93290976       3.11287808      -0.46644546 
O       7.07135162       2.54972001       8.05352425      -4.12491550       2.66478947       0.22334315 
O       5.20632872       0.91259225      10.28070737      -1.11544733      -1.50568519       1.44502880 
O       6.20896625       3.05462034       5.52676838      -0.05034954       1.88833805       0.71566725 
O       9.95223921      10.69136329       8.84327219      -0.31168988       0.11697525       1.08714206 
O       8.41085187       3.61700066       3.73922398       1.01018776      -6.37044997      -0.97715739 
O       4.47864497       5.54617033       2.26033845       1.08874111      -0.48653004      -1.00769981 
O       2.49359869       0.95057595      10.85358004       0.79171414      -1.01364535      -0.23052409 
O       8.01772745       9.14028132       0.41180398      -2.72055709       2.68875523      -0.62860922 
O      10.73591378       8.89737412       6.25741982      -1.32726417       2.42051970      -1.55606862 
O       1.62785393       3.53770144      10.78428311      -0.37559895       0.84666946       0.25170075 
O       7.39370460       6.34406575       2.82081294       0.71843506      -2.80972822       2.68052048 
O       2.78820270      10.41989419       5.08913157      -0.29831800       1.32354649       0.06672511 
O       5.55041614       1.09983117       2.29485083       1.85365818      -1.62095148      -0.15740314 
O       9.40654447       7.46172785       0.87828289       4.47798409       0.17321061       1.58477979 
O       0.49561488       8.14726623       8.98162709      -2.20624177       0.84982034       2.28771913 
O       1.64524680       6.05905041       2.00447483       0.37860232      -1.34927038      -0.47552235 
O       8.11805968       1.25276041       2.17287015       0.81418786       0.19183698      -1.74749551 
O      10.32107056      10.00101077       0.86800321       1.39627034      -4.26233147      -1.43589353 
O       1.29480917       2.72746830       8.46274963       0.70965243      -0.95539322      -0.82568579 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.0108877156323064 0.004152208716338797 -0.008880389755591172 0.004152208716338797 0.010996338088620298 0.011218031199971935 -0.008880389755591172 0.011218031199971935 0.025160602137529332" pbc="T T T" energy=-933.40953597 free_energy=-933.40954281 config_type=amorph 
Hf       9.23685410       2.81482131       0.34902012       1.79733167       2.03809780      -0.94449791 
Hf       3.42301895       7.52326790       1.22621443      -1.98880159       0.25698074       3.84473238 
Hf       7.43731602       7.92363807       2.24568909       0.51195960       1.19679566       0.26640784 
Hf       6.27383822      10.41068712       0.38213571       2.02005099      -1.14518324       0.75285662 
Hf       3.55855608       4.50752572       9.81034482       2.21117411       0.35635431      -2.37361071 
Hf       0.32735494       4.19627956       8.51525979      -0.81984307      -1.08698428      -2.46793124 
Hf       0.74448115       0.54026645       9.36402911      -1.55931174       2.51153064      -2.16497999 
Hf       4.03703887       7.06599520       5.74596811       1.33318067       1.96675072      -1.61255040 
Hf       5.00088509       9.87027921       3.70907010      -0.79281961       0.02795771       0.91959688 
Hf       1.65742753       4.30096822       1.82129683      -0.64684241       1.57747425       1.50721670 
Hf       0.12564622       7.81732660       2.01955366      -0.27663072       1.48976043      -3.89328329 
Hf       2.19019712       1.29381700       3.59127249       1.46330370      -0.90536891       0.16988203 
Hf       8.49603751       6.22033514      10.13408481       1.06058841      -1.87359791       4.61577792 
Hf       8.90505293       6.39066941       6.98446826       0.53541762      -3.29560977       1.20575472 
Hf       3.69760437       1.69100105       0.73887926       1.14731046       0.32529904       2.88147185 
Hf      10.54710503       2.88598433       4.68238297      -2.47689718       4.15214331       2.03757567 
Hf       9.99945256       0.39908000       2.21401913       0.14157440      -1.20476395      -1.13816710 
Hf       5.54083616       7.15188672       9.25303160      -0.35351541      -0.87701818      -0.31528916 
Hf       7.05036323       1.78947792       3.49003333       0.63251970       0.50168581      -0.14514462 
Hf       4.17796650       4.01013408       4.18321110       2.26060795       3.67657961      -0.75702077 
Hf       5.83423772      10.68243882       6.75623874       0.50462922       2.95280269      -0.55707871 
Hf       1.21598741       7.80891889       8.31321810       1.35465530       0.43284014       1.81463331 
Hf       1.15005347       6.10641411       5.21118358      -5.37303046      -1.47102467       1.82660604 
Hf       3.63478197      10.09520470       9.35345903      -1.44421864      -0.21993816      -1.22956479 
Hf       1.47946287       9.49395665       4.86614590       0.33806657      -2.73327344       0.88291974 
Hf       5.97075138       5.06873171       1.27807843       2.16796042       1.17850213       1.89698286 
Hf       8.74347041       1.28386237       7.72637319      -0.49944819       1.32448964      -0.06455105 
Hf       9.14906770       9.61751899       9.98204796      -2.69164929      -2.73562275       2.62437224 
Hf       7.35417843       4.83254872       4.60116239      -0.14450224       2.68402403       1.48985633 
Hf       8.86776599       9.44895084       5.08352263      -3.56175027      -0.46181414      -1.05419081 
Hf       5.99050572       3.49943157       7.51069569      -0.58714765       2.65669967      -1.57574599 
Hf       2.53076751       2.13658395       6.62467874      -2.40197427      -0.59025936       3.97348260 
O       9.13110520       8.85133152       3.12853545       2.77941449      -1.01944198      -0.54610496 
O       4.03527481       0.47506184       7.76477855       0.26226450      -0.92696966      -0.15362003 
O       1.67273120       5.38206370       9.27149827       1.79921566      -0.34688376       0.16359223 
O       5.71593083       0.87682118       5.00024956       0.91197519      -2.21075979      -1.21629261 
O       3.14702470       8.15698148       9.23440577      -1.15372368      -0.05420019       0.04983360 
O       1.95539278       8.68786933       0.87328331      -0.23537734      -0.37490674       1.21558239 
O       5.42675598       9.04291321       9.82284006      -0.88190492       1.94440013       0.39571716 
O       7.95246942      10.56676872       6.76419613      -0.59395118      -2.43319900      -1.82007462 
O       4.96991091       9.26287864       5.88636151       0.03998889      -1.64550192      -2.32127162 
O       4.98914013       3.69680013       0.45780044      -2.04640899      -1.95383323      -1.21214340 
O       3.25630973       8.30053516       3.93081674       1.43055193       0.59539412       0.05140803 
O       7.41340835       4.99963585       6.66893958      -1.41055036      -1.01454930       1.59676928 
O       5.55450932       8.76834093       1.74689796      -3.40372028       0.78544925       0.64816242 
O       3.99100496       3.30409912       8.11234304      -0.67675665      -0.21924815      -1.62220094 
O       0.85091660       4.58162843       3.82635345       0.42538053      -0.52434487      -2.05561942 
O       6.97038430       9.42403081       3.70059226      -2.56439359      -0.44286803       1.01812544 
O       7.69133493       7.32554119       8.85596697      -1.61371346       1.26307624      -2.78105249 
O       7.39951254      10.74157831       9.59303974       0.98784736       0.81179619       0.26670387 
O       0.91384095       1.54904075       5.40264791       2.16919864      -1.14724555      -0.98443776 
O       6.70093220       6.83703603       0.30154416      -0.79000320      -1.68371578       0.04349426 
O       0.85141979       3.84253975       6.38797605       1.22154739       0.49649706       0.83323173 
O       7.75616511       4.35420261       0.46005270       0.65679848       0.19481916      -0.38905888 
O       9.47866133       2.32807445       6.28389404      -0.80943722      -0.87535541       0.36788911 
O       4.03295003       6.34051258      10.73219700       1.88702504      -1.77825298      -1.55205311 
O      10.68274192       1.20496636       0.31755100      -1.90447400      -0.73457168       0.36072585 
O       8.28691954       7.38856379       5.57406575      -0.51940054       4.36484840      -1.98437766 
O       0.50215693       2.09380684       2.67869012      -0.65441908       0.12680596       1.41074757 
O       8.56881846       0.52818484       3.91697140       2.25633546      -0.25205379       0.35810313 
O       0.86805543      10.46150532       3.23593484      -0.64715561       0.23550652      -0.25841363 
O       9.50987957       2.72636562       9.20227300      -0.58723506      -1.98282866      -0.11518885 
O       0.16819068       3.85602215       0.54228172      -0.96835745       0.37789586       0.28523205 
O       1.44491043       9.77569674       8.12774041       0.45877719       1.82282523       1.48519482 
O       3.61517538       0.42755548       2.43650812      -0.45279071      -0.96025015       0.04090038 
O       2.80862895       5.31789305       5.49592447       3.43974648      -0.61437216      -0.34673583 
O       0.63934618       7.70819486       3.94583011       0.40777712      -1.19730862       0.37630658 
O       5.29750936       5.91058878       4.80580917      -1.24408944      -1.23359900       1.39809231 
O       4.79976630       7.33550863       7.46798883       0.88959047      -0.83736817       0.52721953 
O       6.20876606       4.00490045       3.18172164      -2.84495416      -2.86631450      -2.51899471 
O       3.27696114       2.94757899       2.51589755      -1.74545198      -0.07589479       0.61251669 
O       9.55295099       5.14550096       5.54345146       0.91598921       0.12609159      -1.48710480 
O       3.57007577       2.27126419       5.09728763       0.17915138       2.07429942      -3.05264307 
O       9.42801575       5.02914756       8.86010281      -0.63564335       1.48032323       0.06062075 
O       0.10741600       6.30019324       7.39560653       1.04462782       0.43465224      -1.66385310 
O       2.14142991       7.79283812       6.49295230      -0.81129509      -0.61327506      -2.11067061 
O       5.57031357       5.04097579       8.89832057       0.07286984       0.22244766       0.79394561 
O       6.74186622       1.68699516       7.48878994      -0.08407808       1.54073439       1.40586774 
O       4.85259684       0.69486811      10.51524063      -0.94313725      -0.78693505      -2.61583141 
O       5.82600523       3.41582944       5.44400142      -0.05823859       0.51095736       0.81099236 
O       9.91339645      10.74768327       8.65194020      -0.81722312       0.80429194      -1.71228388 
O       8.49976309       3.40927545       3.77808986       0.75951242      -1.44567515       0.60982417 
O       3.53757019       5.48222896       2.50616070       0.89955763      -0.79347324      -0.22889600 
O       2.18961989       0.36929546      10.42886436       6.40195026      -1.06003590       3.06186162 
O       7.79221192       9.17320997       0.76015828       0.44353635       1.38306477      -1.64061052 
O      10.56142728       9.54784698       5.87963870       1.56876830       0.02383562      -0.09901609 
O       2.73276382       2.94509364      10.54703674      -2.86722240       1.34751824       0.39099930 
O       6.60279557       6.31733229       3.02246955       2.17260240      -0.42248930      -1.35288585 
O       2.90212905      10.77747172       5.01770018       0.21577824       0.51803273      -0.12025431 
O       6.11900326       1.03432790       1.90512000      -1.19244312      -0.98354277       0.68502054 
O       9.29956414       6.96322192       0.93513103       1.45643809       0.12299425       2.01598401 
O      10.23892264       8.14129848       9.31444191       0.57959898      -1.50215325      -0.97245876 
O       1.56067769       6.32032083       1.34905711      -1.36810201      -0.47767000       0.91352612 
O       8.35269358       1.69294141       1.74403188       2.27980894      -0.40844019      -0.83168138 
O      10.19089214       9.50902864       0.79506930       1.73533017       1.55996541       1.81840817 
O       1.17184468       2.10477524       8.19218638      -0.06886537      -0.02040369       1.29467851 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.012835378280411869 0.0011989882669994332 -0.001667254986323665 0.0011989882669994332 0.0013167171225770516 0.0029595613170490228 -0.001667254986323665 0.0029595613170490228 0.011164407505252745" pbc="T T T" energy=-935.15917874 free_energy=-935.15920388 config_type=amorph 
Hf       9.05209715       2.29179650       0.10893839      -3.26883193       1.66830512      -1.07361152 
Hf       3.70832091       7.15979504       1.73426474      -1.24508379      -0.78633418       4.49717463 
Hf       7.70890877       7.77333282       2.00858320      -0.53935381      -1.18938015       2.64647028 
Hf       6.37634671      10.51294429       0.00757481      -3.36481264       3.31153127       0.68723468 
Hf       3.16465717       5.43884400       9.29046162       0.25477708       1.04476427      -1.70229710 
Hf       0.40983008       3.64601841       8.61035197       1.67407972       1.04594492      -2.15610402 
Hf       0.89596725       0.56680364       9.60973465      -1.43097298      -0.85963564       1.60209359 
Hf       4.27170957       7.29710620       5.53340118      -0.16276454       3.29047646       2.61201846 
Hf       5.18231108      10.16539955       3.09452019      -0.97301313      -0.50089347       1.32230814 
Hf       0.77807616       4.42244072       1.71771335       0.85476728       0.73503971       1.41945426 
Hf       0.20310648       7.96966438       2.16904133       1.13416764      -1.87579714       2.56170139 
Hf       2.33394068       1.59135060       3.31140230       1.26325372       0.61121639      -1.19426768 
Hf       8.90236533       5.51288808      10.53293161      -0.38715767       1.05196199       1.25701820 
Hf       9.16734439       6.52345814       7.34575226       0.37095673       0.71048172       1.42943775 
Hf       3.25814066       2.11380687       0.15741281       4.55761756       0.24012898       0.38512343 
Hf      10.28136494       3.02432989       4.79301940       1.25866124      -1.30390278       1.78197311 
Hf      10.01617765       0.22203845       2.30259348      -1.51775511       1.48080732       0.94857732 
Hf       6.10557036       7.59439977       9.38768165      -2.09204353      -1.69355415      -2.58194517 
Hf       7.24985649       1.73695115       3.44777841      -0.63733639      -0.32806028      -0.18574649 
Hf       4.51817429       4.47311246       4.42034044       0.87727562       0.11657826      -1.63824718 
Hf       5.37858370      10.09966460       6.65159774      -0.58771780      -1.12771518      -0.37068165 
Hf       1.17431907       8.59600855       7.87607288       0.28377836       0.07694053      -0.74617679 
Hf       1.06329083       5.70953481       5.55466966      -0.31872998       0.96003626       0.37381263 
Hf       3.14848206       9.16219608      10.59330884       0.41129089       1.84010489      -2.63094911 
Hf       1.48186386       9.86176924       4.82427085       0.56935958      -1.55126079       2.90429485 
Hf       5.94233279       4.58056689       1.17294422       0.20993741      -0.68286287       1.04148534 
Hf       8.01448770       1.11096264       7.74352016       4.47160706      -1.70282620      -0.34363072 
Hf       9.25465777       8.84557276      10.15763866       1.30046000      -1.12423459      -2.66982830 
Hf       7.82974660       5.26246100       5.15759646      -2.23783615       0.71633794      -3.49884967 
Hf       8.46461529       9.31015311       5.00595707       1.71449029       0.56549213      -0.74707547 
Hf       6.04073225       4.09161999       7.50123199      -5.32335134       1.25365672       1.32948731 
Hf       2.85139672       2.18134387       6.62513525       0.27313350       0.45575657       1.73037432 
O       9.13676375       8.47734307       3.19236456       1.41032695      -0.94587483       1.22222093 
O       3.99857618       0.69880930       7.16041255       0.26261845      -0.17663781      -1.22962794 
O       2.08361760       5.36533068       7.61854117      -1.82450571       0.35781784       0.88517966 
O       5.87300460       0.65986340       4.55030435       1.07054098       1.17174308      -0.69323500 
O       2.29393618       7.74706943       9.14312623       1.32468646      -2.37437361       1.89464858 
O       2.12999631       8.74030014       1.32512415      -0.65419003      -2.06707627       0.48666418 
O       5.30709107       9.47275352       9.61235972      -1.69015144      -2.63978408      -2.31243924 
O       7.50447467      10.17049379       6.74707695      -0.90548634       1.68173921       0.36481382 
O       4.88654892       9.29776915       5.01840943       0.79897077       1.38872002       2.48656501 
O       4.40881457       3.91681996       0.11781205       0.12087030       0.59704906      -1.13214192 
O       4.24693046       7.77674487       3.71121206      -2.18404476      -0.84951512      -6.40676308 
O       7.38255555       5.38128726       6.99977888       1.49736805       0.54499049       1.31886204 
O       4.75002017       9.09697573       1.24219533      -0.69510553      -0.22317999       0.38155614 
O       3.95315121       3.75380244       7.56405895       0.62875240      -2.24119544      -0.85663315 
O       0.34972567       4.65479890       3.72609494       0.62106789      -1.52735044       0.36646051 
O       6.84413859       9.09341267       3.38911757       0.47574667      -1.67589531      -0.02112946 
O       7.93738711       7.58771344       8.48966059      -0.35909008       1.45359211       2.02688559 
O       7.78179872       0.50780343       9.89089034       3.22350486       1.11662494      -1.85376206 
O       1.35073355       0.93620104       5.18140740       0.77153032       1.09719905       1.08596612 
O       7.01708772       6.31928698      10.75174844      -0.11878846      -0.88905882      -0.01583053 
O       0.82586174       3.56684633       6.35339419      -0.02979036      -0.52961399       0.38791502 
O       7.56661117       3.89613565       0.09453123       0.77888003      -0.57986079      -0.75886174 
O       9.17885050       2.10573049       6.54204293       0.37959673      -0.34387506      -1.31878830 
O       4.19793928       6.89001280      10.69011795       0.06263176       0.87379858       0.52308562 
O      10.36894636       0.93508077       0.38573384       1.98801882      -2.10133785       0.26293591 
O       8.32300229       7.49791819       5.72471678       0.05017384      -2.41258185      -0.10856303 
O       0.23568620       1.80998754       2.99912880       0.41456832       0.21315058       1.67771479 
O       8.55334261       0.23852905       3.86625960       2.21606993       0.31684099      -0.50350497 
O       0.36987237       9.82695407       3.28926574       0.10683852       0.39844397      -2.95365858 
O       9.98799757       2.16600252       9.10796920       0.79406418       0.10076628      -0.55230703 
O      10.05525904       4.09150068       0.59596839       0.32220117      -0.31104429      -1.52327583 
O       2.17793497      10.03827502       8.99437051       0.54201914       1.00195407      -0.88899073 
O       3.82064594       1.55612127       1.95346751       0.57862531      -0.45767248       0.79475630 
O       3.11679266       5.61766458       5.20127834      -0.94092197      -0.35135052      -0.17637550 
O       0.89876841       7.29753622       4.07633314       0.00437350       0.04283131      -0.04983800 
O       5.71335104       6.19900011       5.01672333       1.84976779      -3.68358803      -0.30445297 
O       5.43292381       7.92572011       7.13308817       0.09180245       3.26045773       1.22800028 
O       6.21661336       3.07211211       2.54019670      -1.05249100       2.22243413      -0.58251525 
O       1.95176404       2.93008787       1.46232295      -0.91022279       0.50233070       1.54517968 
O       9.76574232       5.12977193       5.87890709      -0.63259485      -0.08865392      -0.89467968 
O       3.16271193       2.86904971       4.68919077       0.64336019       0.20867920      -0.26144443 
O       9.41889945       4.85811208       8.70839057       1.35159391      -0.27078094       0.06037263 
O       0.16921574       7.00575389       7.00706491       1.09863634       0.51843231      -0.65280107 
O       2.59371303       8.68572911       6.29905625      -2.13824665       0.17439502       0.34811954 
O       4.85215064       5.97003736       8.43259651       2.69978812      -0.85724721       0.64232177 
O       6.71041219       2.35305993       7.62913427      -1.17973850      -0.87740082       1.49140664 
O       5.14447525       1.18605751      10.43296362      -1.77563536      -0.24675165       0.30904246 
O       6.06744303       3.65875238       5.62148146       0.11406545       0.87212590      -2.46054622 
O      10.59752208       9.90194603       9.01561033      -1.80625040      -0.97297300      -0.63438571 
O       8.58116399       3.61114191       4.15210773      -2.04101700      -0.28692301       0.01383481 
O       4.27828440       5.13269794       2.49834661      -0.03819443       0.85526236       0.32118273 
O       2.15898942       0.33147895       0.30658661       0.09894329       0.02481357      -0.89624852 
O       7.36544896       8.65633952       0.25354503       0.57880071       0.97284911      -1.91016863 
O      10.43260482       9.64236410       5.86185490       0.34233515      -0.40904767      -0.41519928 
O       1.95100789       3.98249151      10.01233808      -2.45459682      -0.39644645      -0.46657835 
O       6.79274978       6.10887503       2.59191348       0.92578170      -0.25914945      -0.58662547 
O       3.23344537      10.70852166       3.76122798      -2.00007144      -0.70203045      -0.03675923 
O       6.63150153       0.23115313       1.81741145       0.26551014       1.57411589       2.81995032 
O       9.60837402       6.70346173       1.38681424      -0.95944737      -0.55585562      -0.63184179 
O      10.30796020       7.21810956       9.70933820      -1.69661661       0.70777284       0.33755331 
O       1.64313524       6.15788283       1.48923099       0.61972691       0.91593736       0.11055655 
O       8.89751547       2.15150993       1.97425821      -1.75367563      -2.13624777       1.95071699 
O       9.81821079       9.28370473       1.09334341       1.05176333       1.34323128      -0.73878089 
O       1.76676880       1.91738357       8.54060321       0.20307938       1.48991342      -1.70146341 
96
Lattice="10.85636263 0.0 0.0 0.0 10.85636263 0.0 0.0 0.0 10.85636263" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.007168944872173234 0.004576839678473481 0.000977208448603022 0.004576839678473481 0.023558253653179262 0.0018855049878905338 0.000977208448603022 0.0018855049878905338 0.0070250801215536" pbc="T T T" energy=-936.64145746 free_energy=-936.64148459 config_type=amorph 
Hf       8.93978569       2.43430851       0.20876405      -1.06190343       0.12377535      -1.20999268 
Hf       3.80737045       7.20345032       1.42868451      -0.37780255      -0.24822569       0.15247070 
Hf       7.67151783       7.79606213       2.39966391      -0.58897125       1.41493672       2.01738214 
Hf       6.18107234      10.74159687       0.13437257       4.21470167      -0.79023552      -2.42989644 
Hf       3.45516052       4.37689437       9.73456013      -1.03863401       0.21325060      -2.28771402 
Hf       0.16005014       4.31804311       8.08331118       1.90729248       0.51053827       0.23963626 
Hf       0.24051305       0.81894830       9.48378315       5.84332073       0.98147244      -0.89500089 
Hf       4.73566882       7.45899476       5.41365604       0.31835790      -1.80710867      -0.11079789 
Hf       4.98973430      10.08332903       3.49464576       0.46498065       0.02551529       0.61456962 
Hf       0.92829598       3.96133495       1.99739746      -0.65757652       1.28723835      -1.57449987 
Hf       0.35544285       7.87895643       2.01208232       1.65361089       1.86921601      -0.88397466 
Hf       2.10272817       1.03298019       3.66674788      -0.75188411       0.94095919       0.75651568 
Hf       8.86244290       5.47244770       0.31353512       3.45615190      -0.72056386      -2.25385619 
Hf       9.14586366       6.81976106       7.58241782      -0.61322708       1.48341459       2.59883967 
Hf       3.23197650       1.76156111       0.83941320       1.37510239      -1.21316718      -2.51290371 
Hf      10.40254659       2.86314569       5.09300947      -0.52608141      -2.50703744      -3.25804886 
Hf       9.86836404       0.10519110       2.28083070       2.28215185      -0.68993175       0.41379237 
Hf       5.49353499       7.36444269       9.38673161       0.11286644      -0.26711040      -2.17116888 
Hf       7.11946930       1.78047333       3.26103041      -0.31171796       1.05154615       1.17384169 
Hf       4.26386964       4.14588877       4.04186202       1.04508888      -0.75655081      -1.40785142 
Hf       5.76327283       0.38089635       6.58161068      -1.15904687      -2.39356816      -2.28652999 
Hf       1.57561441       7.93334366       7.87790054       0.18705412      -0.35885189       3.07566186 
Hf       0.87486378       5.76106801       4.92041718       0.51916049       0.32868290       0.90051083 
Hf       3.51678069      10.31010705       8.99524032      -0.17651412      -1.11141223      -0.25654329 
Hf       1.40789208       9.27099334       5.02745712      -3.09727943       0.19581540       2.09972449 
Hf       5.69598151       4.59819936       0.85706293       2.86855922      -0.89814131      -1.82011872 
Hf       8.43024665       1.27411944       8.00830663      -0.34600839      -0.86378043       0.70082847 
Hf       9.10380753       8.76384563      10.23792222       2.31932366       1.18480039      -1.27215744 
Hf       8.11946938       5.45890678       4.92569305      -1.20700357       0.44668763      -0.82613645 
Hf       8.62961681       9.57572514       5.17245112      -0.31768668      -1.07608853      -0.07692753 
Hf       6.18456038       3.96118155       7.21701567      -0.51942765       4.29736514       7.32991655 
Hf       2.58538164       2.43814559       6.67565338       0.67904638      -0.87626657       0.48805930 
O       9.35065874       8.96603442       2.86951642       0.39081500       0.47908790       0.01734036 
O       3.83751130       0.66350679       7.30491768       0.56266180      -0.20039143       0.60512468 
O       1.64451638       5.52739164       9.02213283       0.96707800      -2.57737843      -0.63531731 
O       5.86469872       0.91746610       4.57640717      -0.55020933      -0.56326293       2.17359911 
O       3.52364571       8.00561067       8.92663310      -2.01401094       1.92960985      -0.24170077 
O       2.21077134       8.17645149       1.07573841      -1.65642534       0.36108944       0.57337316 
O       5.54581706       9.65170481       9.04574564      -0.25318547       0.58992102      -0.31812501 
O       7.74886649      10.58993023       6.74801125      -0.81103688       0.48094120       0.62008963 
O       5.23820181       9.35739294       5.64174573      -0.56445731       2.04074776       0.99271182 
O       4.73170852       3.00465393       0.02868772      -1.72576515       0.61880131      -0.32456258 
O       4.54472624       8.23597367       2.95562627       0.07774526      -0.34798233       1.18686706 
O       7.68680815       5.45054976       7.08866415       0.17552905      -2.29578764      -1.01557957 
O       5.41623758       7.88588605       0.56185259       0.30239441       1.55939794      -1.29119918 
O       4.02917810       3.51980755       7.78326107      -0.68066159       0.54223067       1.08419295 
O       0.02488571       4.47841970       3.65910869       0.23132527      -0.19756824       2.36631310 
O       6.93217739       9.00172634       4.01872049       0.57248566      -0.92884124      -2.67056505 
O       7.56240205       7.81392943       8.96761229       2.31024259      -0.78220393       0.65534897 
O       7.37742483       1.37582553      10.03896592       0.34760440      -1.12320773       0.01665702 
O       0.92051240       1.44369094       5.43754254       3.83643645      -1.40537474       0.38450427 
O       7.26315022       6.16175301       0.97426931      -2.30519690       1.77205524       2.41762170 
O       1.34667055       3.89971369       6.00581092       1.20245731       1.31756246       0.29996818 
O       7.60687482       3.97212162       0.05183761       0.48305528      -1.69312678       0.48408983 
O       9.44258879       2.05040886       6.57995628      -0.61813073      -0.09727074       1.18906739 
O       4.35446718       5.96166580      10.51420145      -2.71667675      -0.29812334       0.67884244 
O      10.68835347       1.24496989       0.44589719      -1.28864495       0.77835361       1.84102803 
O       8.52828449       7.45327281       5.89831523       0.37204065       0.77037702      -1.47388816 
O       0.09974066       1.82086138       3.22726875      -0.21688458       0.21511244      -1.67069266 
O       8.47199849       0.34350248       4.01632178       1.42014989       0.43932644      -0.67771001 
O       0.96927125      10.28415068       3.16422802      -2.01937021      -0.38801667      -0.65050724 
O       9.76842699       2.62126040       9.19147027       0.23875692      -0.62949313      -0.91708493 
O       9.99319734       3.98280080       1.13336583      -0.73443113       0.30245483      -0.82287371 
O       1.38356156       9.94332158       7.92252845       2.67254455       0.10200589       1.10562544 
O       3.95348841       0.41411096       2.17480106      -4.39166869       1.31342709       2.06180930 
O       3.41028194       5.86439876       4.57959036      -1.52617795      -0.58296722       0.07453915 
O       0.64783813       7.73925144       4.14629990       0.10154442      -2.51468332      -0.73454313 
O       6.40179815       6.23149233       4.38709848      -1.05502943       0.27890443      -0.21865336 
O       5.18597988       6.82382753       7.10499494       0.06865355       0.17964670       0.70257434 
O       5.65102043       3.32246124       2.70713379       0.93684543       0.15015790      -0.20747583 
O       2.41910027       2.76320169       2.48346363       1.76371138      -1.41585760       2.66663454 
O      10.05151099       4.58721262       5.91092989      -2.26020944       3.22650451       1.55739554 
O       3.54292042       2.38213077       4.87758992      -0.62463316       0.31167083      -0.81284413 
O       9.77445846       5.43028582       9.21439510      -1.14200360      -0.37218335      -0.19105531 
O       0.30273358       6.37750379       6.96585415       0.42321995       0.40135040      -0.75180278 
O       2.55866565       7.93809951       6.14375609      -0.24743745       0.03469211      -0.72220884 
O       5.93610417       5.13761489       9.26014848      -0.03087035      -1.00580645      -1.29205331 
O       6.58973113       2.08384222       7.42787044       0.71105303      -1.69197730       0.00629744 
O       4.41838044       0.29429862      10.63186630      -1.55838800       1.01883510      -0.53930320 
O       5.50149737       4.09641047       5.59349310      -1.11362673      -0.02462929      -4.43379659 
O       9.53577622      10.71334873       9.14069386      -3.04581336      -1.05266324      -0.88939390 
O       8.27213079       3.20383279       4.15067306       0.24454905       1.41799920       0.87843160 
O       4.17877356       5.18980556       1.81760100      -2.00286114       0.54702745       3.82403885 
O       2.26347301       0.62049443      10.21024165      -1.73382978       0.11327825      -0.56518555 
O       7.59739580       9.27585406       0.70810604       1.19771250      -0.52838591      -0.08192114 
O      10.42678733       9.54395541       5.95615380       0.68837096       0.11458285      -1.25362232 
O       1.99999495       3.33197142       0.31376983       0.85855513       1.59831569      -3.06627199 
O       8.85134314       6.51895633       3.40024784       0.23892878      -0.62760959      -0.91694294 
O       3.00615623      10.01135471       4.34522191       2.91793238       2.93622006      -0.19226678 
O       6.11947855       0.38674207       1.96510911       1.34283294      -0.35957880       1.99320138 
O       9.87887528       7.27944616       0.62310072      -2.09427074      -1.60876169      -0.37221985 
O      10.52631650       8.36096591       8.66211001      -2.24659953      -2.64748922       0.54232788 
O       1.09384802       6.01544724       2.14391341       0.70865568      -1.25274557      -0.37770547 
O       8.39250657       1.43514285       1.77454640       0.71330637      -0.33775095      -0.33025956 
O      10.62885235       9.55105145       0.59695664      -1.13797398       0.96038499       0.96187911 
O       1.25813095       2.34112966       8.12482308      -1.24966899       0.72868919       1.66714939 
96
Lattice="11.10739 0.0 0.0 0.0 11.10739 0.0 0.0 0.0 11.10739" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.008574213411715265 -0.011047585634573753 -0.011012564545592952 -0.011047585634573753 0.021540074734561997 2.7019118515401072e-05 -0.011012564545592952 2.7019118515401072e-05 0.020861797585905707" pbc="T T T" energy=-900.39424535 free_energy=-900.42353385 config_type=amorph 
Hf      10.98944962       8.37537559       3.75470479      -0.92474644      -5.55742091       3.53091823 
Hf       2.84289515      10.27789922       5.44995009      -2.93621087       0.06090098       3.16841777 
Hf       5.31578848       5.95883772       6.50014748      -1.50415029       0.23211489      -3.58238687 
Hf       2.28401883       3.20090677       4.48715308      -1.79087488       0.84324961       0.43147859 
Hf       4.09844319       6.81888981       2.65539019       4.03271339      -3.80608990       2.91983277 
Hf       4.26789587       9.95424465       9.45014575       2.39180558      -0.06552520      -4.56023744 
Hf       0.03943101      11.09733281       9.26100645      -0.91384291      -0.39160759       0.05826761 
Hf       0.58867345       2.30438367       6.97512303      -1.76381020      -0.95763882      -1.41354816 
Hf       1.24639811       5.60501781       9.22795630       0.21775868      -0.93516326      -2.51090087 
Hf       6.54682273       3.33517934       3.94832971      -0.16921352       1.76731401      -1.91232200 
Hf       5.38481669       0.21881203       6.99173691       1.32016608      -0.34546682       5.10844537 
Hf       3.57020372       3.76123716       8.62358088       2.18600814      -0.73684906       0.68156391 
Hf       7.34799400       7.30654433       8.82339817       4.56072331       4.66270424       0.08328326 
Hf       5.21896669       1.73979815      10.96364282      -1.09467932      -0.44068902       0.43857001 
Hf       9.63508291       5.93094384       7.02190835       1.31438817       1.21706997       0.48623132 
Hf       1.76531138       6.80910864       6.06173036       0.14558600      -0.72069593      -1.87183846 
Hf       9.95567562       6.31500595       0.01862931      -5.90075929      -0.24552580       3.84365946 
Hf       1.50132593       2.55904513       0.53569753      -2.71592744       2.55760327       1.03788934 
Hf       9.91267747       9.66094124       6.78716077       1.07189120       3.92474215      -2.90588615 
Hf       1.41982034       6.27903745       1.86250204      -1.49820362      -2.17633761       0.77128644 
Hf      10.11313609       0.08347515       1.73254258       2.53999096       0.03675265       0.06029360 
Hf       7.30453745       8.02289734       4.24289491       0.81362576      -4.60655562       0.01161239 
Hf       8.12895181       0.48648735       8.76506415      -1.82938653       3.78351392      -5.33765389 
Hf       6.97353323       5.29418849       0.87761232      -2.20027406      -0.40184197       0.51980837 
Hf       4.70033211       6.55794290      10.25013408       1.52047775      -2.00232528      -2.50394065 
Hf       1.97923738       8.96674981       0.13347129      -0.15820142       0.57075336      -1.77450243 
Hf       7.35109129       3.71696044       7.17458176      -1.36726012      -3.93027404       3.24560363 
Hf       4.54278322       0.70043957       3.32270041       3.55031633       0.79926002      -3.63280077 
Hf       7.05958207       9.61932752       0.32018396       0.63497134      -1.55323821       1.83434129 
Hf       8.61072364       2.49287619       0.05099347      -3.87686723       2.22719972      -3.81922591 
Hf       7.75025590      10.70600325       4.24933953       3.14948096       3.22567802       3.17834601 
Hf       9.92505310       2.91368810       3.36968722       2.41331423       2.82420001       2.88363495 
O       1.13079684      10.85726335       7.03910581      -2.66349093       0.09571854       2.47650120 
O       6.52386387       9.26156382       5.39507814      -0.20351877       2.79467707      -1.19731416 
O       4.37440230       1.17072868       8.90490108       1.84555149       0.15958883       1.33768425 
O       6.49469975      10.06243296       8.14220726      -0.79194848       1.73034479      -0.24578095 
O       3.09075300      10.66912482      10.69446111      -2.69387565      -2.09753767       1.98511305 
O      10.61315824       6.99326106       2.12792045       2.49846919       2.31262855       0.22008825 
O       9.14315726       9.18458683       4.72321944      -0.17147749      -2.11606242      -0.76051516 
O       0.21386346       5.04845037       1.01941982       0.08744871      -1.29161440      -3.77832797 
O       5.65575292       4.52136407       7.93581018      -0.94803159      -0.88320779      -2.16305602 
O       1.95358341       1.51436156       5.64348370       2.41767016      -1.38318706      -3.50569016 
O       0.10648788       9.50984386      10.55816800       3.16526411      -0.59033287       0.24036348 
O       9.35880180       8.01994267       7.38875101      -1.56231863      -3.24164564       0.28322344 
O       9.77058984       1.03938835      10.14111360      -1.30734259       2.40971205       1.80199126 
O       4.59292931       0.32799234       5.26989219      -1.08955071      -0.75181505      -1.39870119 
O       5.81074355       6.80576499       4.58300941      -1.37594587       0.19551885      -0.44707852 
O       6.59316910       2.86644659       0.75076160       1.89001636       0.34259057      -0.32280170 
O      10.71268623       6.41855926       5.51159177       1.09051529       0.23132725      -0.48681523 
O       2.12432877       7.71726918       3.86305205      -1.37461676      -1.88116976      -2.97567700 
O       5.40211312       6.83557078       0.94204185      -0.93497691       0.21408438       1.45863826 
O       3.11753625       1.90449952       0.26277386       5.20304556      -0.40925881       0.96538647 
O       5.90611138       8.74450015      10.13864188      -2.31468573      -0.40787955      -0.65399874 
O       3.87571737       2.46739150       3.51887047      -0.19902156       0.40009054       0.06454910 
O       2.38471254       2.82498582       7.44010636       1.09859513       0.31743505       0.46623250 
O       8.28714926       6.46952941       1.48483501       1.95003905       1.83581649      -1.27247107 
O       8.76241782      10.28483234       0.80111651       1.38896515       1.40535349       0.88450076 
O       7.51120532       5.94608599       6.55417138       1.46017122      -1.32915883       0.86952252 
O       2.81865249       4.77259901       2.70484462      -0.50120796       4.42459511      -0.46200140 
O      11.02838158       4.44876305       7.89149947      -0.40432658       0.91564477      -0.46114012 
O       7.44733705       8.69869139       2.44716417      -1.85234715       2.45515521       0.36782428 
O       2.56902512       4.88402657       5.99292341      -0.08836535       0.83979684      -1.76715070 
O       0.43589997       9.00509863       5.53387508       1.57003002      -0.18346733       1.04764084 
O       3.19188901       5.85446346       8.73748961       0.57279992      -2.77257529       0.94938978 
O      10.00654080       1.15701339       7.57942147       3.11071392       0.16121563       1.66532297 
O       4.84203653       4.33380212      10.25720638      -1.61231492       0.22108252       1.09759315 
O       1.42933271       6.98201794      10.64991615      -2.86694334      -0.18301836       1.61800894 
O       9.28077860       4.75549785       3.12334175      -0.38683178      -4.00010397       1.32123972 
O       5.36628379       4.24730410       5.01932147      -0.19063251      -0.01605413       2.32423775 
O       8.64715676       4.51199909       0.33609540       4.36200323      -3.11141952      -2.88754790 
O       3.31965232      10.43926861       3.34227185      -2.79721111      -2.39448531       1.20703099 
O       6.85950265       0.62682101      10.30721729       0.28038841      -0.64858364       1.27021116 
O       3.56257116       8.15329755      10.03713799      -2.51664520       2.23067780      -0.64735079 
O       5.63716148       7.11252155       7.95015460      -2.22375384       1.41355710       1.29090292 
O       7.86334280       3.08138914       5.42452094       1.18499218       0.61626443      -2.19971245 
O      11.09220909       9.89218777       2.91912584       1.46003230       4.70813441      -4.50269560 
O       1.32760490       7.04032629       7.91985153      -2.09950665       0.15021526       0.41589193 
O       0.69710913       0.82128453       0.43710123      -1.00285047      -0.99521163       0.15697094 
O       9.56344924       2.05831277       1.61229531       0.04437645      -0.49293382       0.16210803 
O       6.95195801       5.96425235       9.97180854      -3.53698547      -1.94085079       2.07087041 
O       0.16995906       2.92537852       5.06912623      -0.80729081       1.32302620       0.18569574 
O       6.04625454       5.10876539       2.58623836      -0.71390933      -1.88789081       1.81777790 
O       9.26051484      10.17745221       8.98571623       3.86308994      -3.53217188      -1.58181439 
O       1.83689851       3.36361792       9.66130868      -0.93317058       2.36278957       2.28878918 
O       3.43812863       7.76127710       5.88847385       0.73861010       0.88617660       0.71907089 
O       0.73489880       2.98174563       2.55786608       1.17716295      -0.81956244       0.39254874 
O       8.44246278      11.10030337       6.40641466      -1.30781883      -1.66981433      -1.70096827 
O       5.45941148       0.35711570       1.42247001      -1.13353406      -0.26369671      -1.29773085 
O       8.15211750       8.13851194      10.54590333       0.80625476       0.90690865       0.27782810 
O       9.17559151       6.20067481       9.04059240       2.24877945      -0.78802247       1.18692298 
O       8.27613773       2.71985970       8.77680466      -1.00356550       1.13823190       0.44585469 
O       3.41734415      10.37187374       7.50268495       2.82931792      -1.10925153      -0.83757371 
O       3.06230454       7.34161558       1.13718525      -1.27470956       1.12212748       1.44327919 
O       6.41620316       1.80493899       7.12038370       0.42271882       1.20242305       0.11725028 
O       6.81533123       1.13377784       3.37027780      -1.53064775       0.98418907       1.83209792 
O       9.54950413       0.52242998       3.73208382      -1.42182652       0.84211303      -1.54727506 
96
Lattice="11.10739 0.0 0.0 0.0 11.10739 0.0 0.0 0.0 11.10739" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0003496969389805741 0.004395633264504568 -0.00024594583074320694 0.004395633264504568 -0.009723637573878148 -0.00029737668357818046 -0.00024594583074320694 -0.00029737668357818046 -0.008271254946525806" pbc="T T T" energy=-893.1850991 free_energy=-893.25990334 config_type=amorph 
Hf       0.51968979       8.51872512       4.79494264      -2.49736801       1.33190924       0.59964930 
Hf       1.00159201       0.58155062       5.70995554      -2.79919818       0.15438572       0.48567233 
Hf       5.46231150       6.07277366       4.48327460      -1.86366213      -0.53698224       4.13387821 
Hf       4.67656818       2.03667658       3.59838294      -2.57447981      -1.69021077       0.49755407 
Hf       3.82749596       7.53532546       1.68864117      -0.98268195       1.77731761      -4.87748349 
Hf       4.43603876       8.46849395       8.82136629       0.63724237       0.54337455       2.63302272 
Hf       1.45159314       9.64857472       8.82500496       2.42568256       1.48251098      -0.46920614 
Hf       0.70297238       2.23847031       8.33937299      -3.16226846       2.78841101      -0.61091389 
Hf       1.28755032       4.78726921      11.08846156       0.58763153      -0.77369441      -3.24028713 
Hf       7.36519657       3.41703247       3.34077113       1.93891202       2.11714592      -1.41501418 
Hf       4.53694762      10.87641338       6.01276332      -1.08634647       1.82352476       0.26760280 
Hf       3.45164010       2.38461746       8.52504423       3.47091859      -2.20217814       1.97881164 
Hf       7.74370488       7.53517574       8.92383952       2.67431140      -3.52097222       2.55908915 
Hf       5.89126347       2.54448268       0.30510290      -4.32909305      -2.21918634       2.14267869 
Hf      10.05090927       6.12970392       6.75124159       2.20794772       3.56119874      -3.19938342 
Hf       2.95469414       6.13192895       7.50139483      -1.28995207      -9.50742285       0.88527798 
Hf      10.45263491       6.08238410       2.44674353      -3.32693399       0.33175044       0.58804901 
Hf       1.06959290       1.71183907       1.41394053       1.26791584       1.72281765      -5.72083707 
Hf       8.35938784      10.84604833       6.11327065       3.50272927       0.58161520      -1.93239920 
Hf       2.36719296       5.18296531       4.23080918      -1.24147768      -0.50359107      -0.31805708 
Hf       9.90087709       0.27980015       9.90772646      -0.45907803       0.42606167       3.62768546 
Hf       6.28616739       9.41412115       4.36826369       2.43763256       6.04539158      -6.89831230 
Hf       7.09387613       1.66580227       8.74867709       0.48106599      -1.57255223       2.12598239 
Hf       6.88474775       6.56955623       1.35361697       1.95282880       3.00628944      -2.11591813 
Hf       4.92112559       4.99010303      10.20552369      -3.08904291       5.52070661     -10.42904141 
Hf       0.50583298       8.53364512       0.69129752       1.12610501       4.08125024       1.70618794 
Hf       6.33321507       3.21984709       6.54911908       0.45237758       3.58028255      -1.54798085 
Hf       2.99694321      10.65642752       3.12819735       0.38643866      -4.19507713      -0.55920473 
Hf       6.09974218      10.08675115       0.09421577       3.98685788       2.32547656       5.90538937 
Hf       9.37224696       3.68039136      10.52278107       1.71738289       0.92246338       0.41455288 
Hf       9.64396438       0.39997734       2.33337607      -4.84372727      -0.20207894      -0.98374212 
Hf       9.97360561       3.68946787       4.77855346       0.34718060      -2.31826001      -1.06382957 
O       1.37420218       9.39597934       6.84932573      -0.86945031       1.67268505      -1.36006153 
O       4.24648215       9.30171737       4.43504643      -1.39704408       2.32921485       2.37401969 
O       3.31623957       0.37362017       9.07752114      -2.78359231       0.56160827      -0.12690267 
O       7.58453331       1.33429922       6.92700626      -1.18166571       1.94346279      -1.15761007 
O       2.49885907       8.53401478      10.54389700       0.18480402       1.51579993      -2.94528309 
O      10.62624819       8.12466181       2.68665016       1.35321566      -0.18668072      -0.73642672 
O       5.85621976       0.82533906       4.88950718      -1.78770726      -1.83262427       1.06937560 
O       2.07621644       3.30705876       1.01907782       0.28753636       1.65297202       0.25843368 
O       5.12305005       5.11139673       6.49059624       1.83318268      -1.50369479      -0.67760211 
O       0.99541164      10.33696421       4.09172500       1.42147145       0.97045007       0.63732560 
O      11.07125744       9.42693786       9.93319715      -0.79084015       0.10192086      -0.83367670 
O       7.26837967       9.24855595       5.99459996       0.24381583       0.32106375       3.77073693 
O       8.98760960       2.12349749       9.46867621       0.70919431      -0.83134088      -1.83205961 
O       3.00356766       0.97924472       4.96237843       1.62818996      -2.95334411      -1.91929585 
O       6.49970696       7.66862647       4.47596972      -1.37907474      -9.91267173       1.89191044 
O       5.10809961       4.62538111       0.70395839       2.76840337      -3.91787966      11.56390638 
O       8.31525618      10.91660591       4.19782645      -0.73542945      -1.69535585      -0.51751425 
O       1.26553770       7.01246951       4.09314053       1.10892954      -4.42578087      -0.62042894 
O       5.73441523       8.27177930       0.88099674      -3.12329219      -3.39901906       0.39770888 
O       2.94664695       1.11375243       2.05802876      -0.98223643       0.73660482      -0.24121964 
O       4.70277118      10.39761545       2.14219401       0.08038737       0.18046184      -0.50945756 
O       6.10697165       2.21054233       2.28501416      -0.50759754       0.02867134      -1.46880690 
O       2.48547600       1.92516249       6.93225539      -3.46757343       0.33560412       1.10348025 
O       8.60045463       7.25752409       1.58792136       1.73319800      -3.05037661      -0.01792788 
O       8.32622061      11.08237194       8.87945794      -0.49213001      -2.22914143      -0.55620655 
O       8.71699626       5.79553343       7.90107893      -3.89922100       1.20470332       1.56811638 
O       6.19858806       5.46230695       2.83467291       0.91927113      -1.22212511       0.51982822 
O      10.81814601       4.52028765       9.24670191      -0.08515284      -2.34461095       1.81715923 
O       7.08414328       8.88574539       2.67583923      -0.39581526       0.59374051      -0.04533129 
O       3.36129781       6.42908696       5.65565751      -0.63602035      -1.96556418      -3.85255400 
O       9.92702155       8.12862981       5.62157270       0.76695837      -0.54150978       2.26006817 
O       2.71155682       4.35799657       9.15405861      -0.08937075      -1.17891194      -0.95937605 
O      11.07527065       2.63077610       6.41415918       0.31078123       1.75736906       0.03667102 
O       5.00969780       3.17990880       9.61311571       0.43256738      -2.49090865       1.15728702 
O       0.48065364       6.72210912       0.44815386      -0.73230396      -5.05187575       1.59798741 
O       0.48156078       4.30598966       3.88999325       2.24480541       1.25556585      -1.10066241 
O       5.60525961       3.41690274       4.55807266       1.84701889       1.01957503       0.74301019 
O      10.64990182       4.01713988       0.79924447       3.02536290       2.40729368       0.57013787 
O       2.36675022       8.73593302       2.05276285      -0.83392188       1.14720853       0.03375945 
O       5.70705229       0.72196880      10.38413785       0.80916536       2.16220349      -0.61633038 
O       3.05892800       5.89450183       0.14156069       0.75168653       1.47144771       0.67037474 
O       4.70082750       6.46374157       8.88884890      -0.89875733       3.21744066      -2.15106738 
O       8.02958410       3.85544793       5.25417912      -1.27693743      -0.23222463       1.02757724 
O      10.94881357      10.48957087       0.90619508      -0.16787591       1.74864081       1.63590653 
O       0.72779662       5.77429743       7.41216250       3.22310092       1.19620704      -1.25768189 
O       9.80766331       1.69815565       0.62396596       0.19483691      -1.48280825       0.93056395 
O       7.43145637       3.36440522       0.10075336       3.03862900       1.64187119      -0.82597467 
O       6.79266693       6.28012097      10.33760300       0.36314856      -0.41416787       0.55088747 
O       9.68101241       5.75343797       4.75083197       0.85504132      -1.83754541       0.28298440 
O       9.11459950       4.28739978       2.32879405      -1.99880670       2.34537494       3.31821963 
O      11.10026728       0.34790212       8.12935745       1.61132385       0.27331607       0.82864048 
O       0.63853353       2.13205429      10.34743248       0.89000064      -1.51707231      -1.80569229 
O       3.15961827       7.83763563       7.52423607      -0.63458583       8.69872305       1.14014660 
O       3.38921391       3.40456021       3.63217240      -2.51631198       3.20921943       0.77006483 
O      10.13417815       0.69411235       5.57643860       1.91044944      -1.89962920       0.43146663 
O       7.95493789      10.90769546       0.85250907      -0.98363361      -0.81940509      -1.06188020 
O       6.40743865       8.97945277       9.66850338      -0.22538648      -1.12288472      -2.22848515 
O       9.36748855       7.46491483       9.84991738      -2.36097213       1.34857007      -1.23527718 
O       7.03655767       3.63398191       8.36272416       0.44538790      -0.69432773      -1.42987829 
O       4.99518955      10.00755090       7.69923766      -0.37841577      -0.81513005      -1.02432580 
O       3.32808127       6.19786719       2.85755346       1.60139711      -1.64141977       2.25104319 
O       5.13389497       1.89287720       7.47235545      -0.34495388      -0.71341103      -0.68627864 
O       8.55363554       2.00420401       3.42332892       2.13446473      -0.35552672      -0.22364680 
O       0.11882308       1.38498368       2.93773238      -0.76799375       0.38273195       3.58770383 
96
Lattice="11.10739 0.0 0.0 0.0 11.10739 0.0 0.0 0.0 11.10739" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0006597207300854406 -0.004562591436610732 0.0022984561827904064 -0.004562591436610732 -0.00369580646298743 -0.014129324848527962 0.0022984561827904064 -0.014129324848527962 -0.004600615565292364" pbc="T T T" energy=-900.99023069 free_energy=-901.01714867 config_type=amorph 
Hf       0.03101128       8.19790571       3.66600673      -3.78643025       0.96863936      -2.76159692 
Hf       2.43554484      10.97320573       5.08190994      -5.55823456       1.13713571       2.60148081 
Hf       4.35707166       6.01934589       6.02391914       6.25784283      -0.52279623      -1.06944892 
Hf       3.27141770       3.10055983       4.39873770      -1.94231176       0.43397971      -0.83793109 
Hf       4.13093431       7.02082960       2.75578633       1.79269641       0.44046469       1.14403212 
Hf       3.91927899       9.53259880       8.77833593       0.16389922      -1.50421909       3.23563368 
Hf       0.59363724       0.36442380       9.63594229       6.58742378      -2.78581126      -0.46664903 
Hf       0.74858444       2.37629636       7.28739885      -0.51459215      -1.21257274      -2.11713415 
Hf       0.59550305       5.05571105       9.32020884       2.04757201       3.55426803      -0.83312430 
Hf       6.39717653       3.02811310       4.27555708       3.00081050      -0.55167117      -4.35341791 
Hf       5.92729240       0.15799418       6.15547273      -0.07098993      -3.79788100      -0.23946543 
Hf       3.79688433       3.07608814       8.47060958       0.42284691      -1.15272181       1.39709313 
Hf       7.62032510       7.23799807       9.71535179       0.41159252      -0.99830950      -0.87311593 
Hf       4.95753161       2.27922643       0.41074795      -1.71647143      -2.89647740      -3.95501426 
Hf       9.66703865       6.28235034       7.02185648      -1.58872079       3.16545382       0.85247092 
Hf       1.48335050       7.08730833       6.06729127       2.98091128      -3.33932454       1.20979981 
Hf       9.87453858       6.09351004       0.65840720       0.93477436       2.62254946      -0.41172941 
Hf       1.12949638       2.86782013       1.19545384       0.56679502      -6.19650964       1.48520349 
Hf      10.77998146      10.04673878       6.68612396      -2.91132227      -1.30401680       1.03358900 
Hf       1.42806214       5.79650943       2.01320733      -1.13662838       6.98412601       2.64612868 
Hf      10.50979853       0.11100603       1.16304514       1.34587221      -3.99693374       6.72017407 
Hf       7.17605760       8.53455460       3.95515675      -1.01907453      -1.36993228       0.15328318 
Hf       8.61099965       0.40388003       8.87083905      -1.03004648       0.32279472      -3.40608810 
Hf       6.90263787       5.01301902       1.30098004       0.98974016       4.19124655       0.04843324 
Hf       4.49243520       5.98580679      10.23289041       2.76301796      -0.33219907      -4.32808738 
Hf       1.66595577       8.23139971      10.75771215       6.60161916       6.11506845       0.88210527 
Hf       6.96320413       3.70840108       7.46298570      -1.62156988       2.12575173      -0.28795408 
Hf       3.62006268       0.15327299       2.70856060       2.56044027       3.46312487       0.10651815 
Hf       6.46949164      10.17509366       0.44258573      -1.32124800      -0.73701655       2.99860980 
Hf       8.41648993       2.34280224      11.10394504       0.85650317       4.81148519       2.52672350 
Hf       8.93322893       0.08890422       3.64404409      -2.88321994       3.66370208       2.39669280 
Hf      10.06933521       3.60889431       4.13184711      -0.82593703      -1.78044532       0.96709491 
O       1.10161328       0.16874325       6.80252796       2.48088039       1.48427106      -1.46865987 
O       7.46119508      10.33900964       4.92886044      -4.58077177      -1.79043482      -1.02202234 
O       4.81729037       1.26039053       9.72591492      -0.96635780       1.80537124      -0.02421316 
O       7.22576217      10.97021618       7.57196152       1.83681698      -0.26649427       2.45487171 
O       1.86199699       9.57536103       8.86180363       0.81971128       1.37883600       1.09177057 
O       0.02893719       7.67933089       1.62307014      -0.32974758      -2.21073340       1.24929049 
O       9.08249725       8.02624433       4.25272173      -2.63440192       0.24072940      -0.90510248 
O       0.92877618       4.08469536      10.98609775      -2.00267689       2.35681969      -0.45654269 
O       5.09990114       4.84741317       7.79510921       1.04656767      -2.04198268      -1.79420558 
O       1.78187183       1.65695334       4.04752936       3.13457782      -0.80880160       0.81878962 
O       0.43503048       9.66216284      11.00138474      -1.76668546       3.23589548       0.80572527 
O       9.21038807       8.05532726       7.72365693       0.01070238      -1.87830584      -1.81539116 
O      10.01724954       0.53942262      10.58901155      -5.76064939       3.21511456      -4.11802906 
O       4.24515649      10.68581146       4.88804245       1.80588917       0.79403998      -3.42133386 
O       5.46764472       7.14945707       4.64555068       1.47402885       1.14538241      -1.76825771 
O       6.65829350       3.17839464       1.10387330       0.60503289      -2.26602442      -1.22900244 
O      10.93276872       6.57688888       4.98546836      -0.56784179      -1.65228720       3.02345944 
O       1.75473725       7.28036621       3.41269659       1.55878554      -0.70361637       1.20029601 
O       4.84515193       5.96724945       1.06465944       0.88795820      -0.76091690       1.60791848 
O       3.08891817       2.23651041       0.85949039      -0.97336717       0.98301605       0.35089500 
O       4.94642766       9.62243381      10.52248306      -0.67648896      -0.15197422      -2.53097384 
O       4.59345480       1.97488383       3.12508062      -0.42316796       1.82465645       1.96636740 
O       3.47184900       1.99810639       6.55245274      -1.03122128       0.96421417      -1.48458241 
O       8.40386571       7.12092040       1.02330485      -2.11830693      -1.61093684       0.78275507 
O       8.13214452      10.55072904       1.94355289       0.29829883      -2.34539719      -1.07555718 
O       7.61116750       5.51811636       6.72139281       2.45777108      -1.75726852       1.95819726 
O       3.12038241       5.36510751       3.92296354       1.90261552      -0.08702325      -0.56949186 
O      10.84399113       3.91621757       8.09464953      -0.53130662       0.80565696       0.38536830 
O       5.57042184       8.50845712       2.40343426       0.64058445       0.35973375       0.35146015 
O       2.73948424       5.47612188       6.48594369      -6.35218458      -3.46406094       1.47967446 
O       0.85510442       8.84578178       5.45265096       0.43279297       3.49760843       0.84872889 
O       2.67893130       4.50219116       9.42729552      -0.74830911       1.83472815      -1.27127255 
O      10.18291005       1.46158380       7.57651511      -1.77713810      -0.87686801       2.57807144 
O       5.01335091       3.80183178       9.89923397      -0.42525935      -0.49343717       2.99304380 
O       0.50856696       7.02154792      10.48316790      -4.43142783      -9.00755838      -1.74716318 
O      10.41751334       5.01861881       2.72601686       2.38372409       0.44267677      -2.24386132 
O       4.82872487       3.79544304       5.21097382       1.55696159       1.47355500       0.94189832 
O       8.99108354       4.42825015       0.28414692      -2.18729758      -2.93198596       0.91606860 
O       2.00431475      10.42430995       3.09833346      -1.05243620      -2.41639311       1.81999386 
O       7.31369060       0.80447160      11.03891338      -0.16178840      -0.91766449      -1.93335640 
O       3.49923616       7.65947454       9.60572763      -1.91494215      -1.14770064       0.45789290 
O       5.81292204       7.20948907       8.97342102      -0.61295796       0.44169791       0.00242429 
O       8.18402303       3.58186714       4.73839347       1.44213805       0.38088787       1.62217436 
O      10.44699024      10.07018836       3.29514286       2.40834526      -0.34504916      -3.38357462 
O       0.49412968       6.66474445       7.82589534      -0.04014257      -0.91400699      -1.36036627 
O       1.13905840       0.71544321       0.66710640       0.59780939       2.09488065      -0.77956004 
O      10.07970118       2.24248196       1.23190807       0.37103018      -0.79137584      -0.94522120 
O       6.83109583       5.50114860      10.36604314      -1.14762734       0.40850309       1.25336251 
O       0.18778542       3.14109892       5.62719715       0.41032128       2.03309975      -1.45677209 
O       6.60540511       5.00782287       3.28388575      -0.49899514      -1.42165175      -1.42493388 
O      10.38744152      10.45732234       8.74328034      -2.69504611      -2.47800461      -2.71739828 
O       2.08727074       1.91878974       8.77344945      -2.10707676      -0.53798269       1.32509913 
O       3.46778747       7.68104387       6.05339948      -2.21966306       2.75809240       0.44914745 
O       2.14386633       4.14267893       2.19471163       1.10243005      -3.24142132       1.60697266 
O       9.51741899      10.69062784       5.47675455       2.47640166       0.12764252       3.01404169 
O       4.53744790       0.03282445       1.16986630       2.78337474       0.33161062      -1.97981298 
O       7.56069074       8.84953363      10.76912832       0.72737617       1.39021876      -1.29417896 
O       9.47658456       6.28764556       9.67628921       0.38466069      -1.40317131      -1.11146362 
O       7.57042237       2.46472451       8.93841563       2.51500903      -0.04878827       0.66479078 
O       4.54223974      10.10185975       7.09919268       1.05534434       1.01291686      -0.01135278 
O       2.78042275       7.48117805       1.25321938      -0.08903805      -1.64773720      -0.44367933 
O       6.47688805       1.96357551       6.21484029       0.50169965       4.09781775       0.03653909 
O       7.55733676       1.52631000       2.97258470      -1.75862811       1.85258939       2.19021323 
O      10.16131306       1.74952966       3.70583006       0.14148761      -0.03653204      -0.90172104 
96
Lattice="11.10739 0.0 0.0 0.0 11.10739 0.0 0.0 0.0 11.10739" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.00937492703051681 0.009228823219637885 -0.0090558036621177 0.009228823219637885 -0.012644402294351594 0.006831169927155137 -0.0090558036621177 0.006831169927155137 0.013024962384971034" pbc="T T T" energy=-894.24635824 free_energy=-894.33889265 config_type=amorph 
Hf      10.96627305       8.55069763       3.51618881      -0.49611049      -7.62346471      -1.23909897 
Hf       2.41635605      10.28269006       5.27961227       4.93727992       4.62714033      -1.52845574 
Hf       4.81438923       5.72812534       5.92169027      -0.56989935       1.78467128       3.23235194 
Hf       2.59634253       3.46287412       4.74272813       3.58013037      -2.73664416      -3.11868522 
Hf       4.51384470       6.75959956       2.95092174      -5.25239476       2.61945433      -4.46037766 
Hf       4.12499419       9.86041064       9.22209948      -2.73878381      -2.31662026       2.90874554 
Hf       0.27485448       0.11789195       9.60827722       2.05560706       5.40379345      -4.13453333 
Hf       0.72494058       2.59247804       7.07507465       0.31727577      -1.91101129      -0.62730479 
Hf       0.76460252       5.19791219       9.30405270       3.63770820       1.30062744       1.01620426 
Hf       6.38164585       3.13842015       4.03307343      -1.16287901       5.17889994       1.09301430 
Hf       5.44999774       0.24799425       6.41520972      -0.83261183      -0.02169893      -2.44530446 
Hf       3.77867410       3.48520608       8.86910819      -2.29976082      -0.00968862      -2.97426017 
Hf       7.71932427       7.06108090       9.35133119      -5.68327886      -1.21185971      -1.30430716 
Hf       4.99210292       2.02663816      11.04629125       0.89180105      -1.30461228       3.04465918 
Hf       9.79486593       6.28264068       6.93199203      -5.57179700      -0.20846507      -0.92421231 
Hf       1.53484148       6.74326592       6.36038819       4.11313073       3.83255997      -0.75129870 
Hf       9.96609024       6.08493792       0.27787513       0.42813749       2.66822764      -0.40011654 
Hf       1.31684628       2.64021316       0.92044375       0.62799920      -0.81696426      -1.04036397 
Hf      10.25565256       9.92634666       6.54535034      -0.62184233       1.90814771      -0.06701277 
Hf       1.46368032       6.05978823       1.80290589       1.93033279       0.85405373       2.09137661 
Hf      10.29581189       0.22011770       1.48887376      -1.55332398       0.34789004      -0.62247191 
Hf       6.99111378       8.08919413       3.98188735       2.61581585       2.11993435       3.00801524 
Hf       8.53193314       0.79987203       8.52380775      -1.09586694      -2.99203461       1.02246463 
Hf       6.98393385       5.26100172       1.10108757      -2.04927528       1.06792037       2.64970599 
Hf       4.42179287       6.20740011      10.22120133       3.11742261       2.38024999      -0.82849953 
Hf       1.93343883       8.76378503      11.01944824       1.93760737      -1.30377770       1.38843244 
Hf       7.36175750       3.22715364       7.52523662      -1.14993603       7.56432755      -2.50551591 
Hf       4.36919193       0.50766048       2.50251252      -4.09491869      -0.74332785       4.96497435 
Hf       6.92096728       9.68670239       0.42280547      -1.50517341       0.98105329      -1.35001752 
Hf       8.43293164       2.55536970       0.09265929      -0.22971085      -2.11393357       2.87309891 
Hf       7.91432460       0.02608526       4.03994035       5.82075722      -2.49830238       0.11654099 
Hf      10.30220852       3.18006986       3.92858732      -7.48014676       1.77732375      -4.79852961 
O       1.05067857      10.76712566       7.58842345      -2.31305932      -0.50373785      -1.61715455 
O       6.77267229       9.64271268       5.20205203       0.30928884       0.21118370      -2.46296215 
O       4.54932114       1.66719191       9.18767035       0.21049280       0.02072382      -0.68222997 
O       6.90833596      10.70137669       7.31573736       3.49611783       0.69034251       4.05216609 
O       2.93162809      10.44872033      10.85007454       2.60236668       0.65748252      -1.40027980 
O      10.75374070       6.80280975       1.83673878      -0.28877815       4.35248223       2.57472416 
O       9.19849850       8.89328609       4.05741094      -2.17541675      -0.14871695       1.11242622 
O       0.49907925       4.81822350       0.78858826      -1.94995349      -6.86514544      -4.07282562 
O       5.30300965       4.43433611       7.99231026      -0.05518388      -1.32135413       0.24801462 
O       1.83910177       1.59648871       5.49502577       0.06387348      -3.68439518      -1.31057576 
O       0.42528153       9.78535045      10.56623396      -3.33312452      -5.64759938       3.44596382 
O       8.36998251       7.68170542       6.54937177       2.37215706      -0.39791899       1.84080650 
O       9.69472515       0.41335608      10.60393333      -2.25541573       2.09983418      -0.22272259 
O       4.45317202       0.14153003       4.69390882      -1.17190005      -1.67762025       0.74080514 
O       5.76360668       6.53879220       4.37878417       2.57584947       0.79398645       2.84059203 
O       6.51750989       2.92268175       0.91130504       2.39940422       1.56121342      -0.25591127 
O      10.90047687       7.19643933       5.55417573       0.15398655      -0.89449688      -0.29071568 
O       1.96431471       6.93276644       3.40591164      -0.25557641       1.57659049       2.55958173 
O       5.24983324       6.61304433       1.09664128       1.10855788      -2.19628033       0.51610318 
O       3.45129089       2.00574094       1.14069619       0.22890198      -1.57045334       0.30183054 
O       4.99450989       8.77000972      10.88241381       1.31685664       1.23151251      -1.80246707 
O       4.48559061       2.21359431       3.62514675      -0.91113011       1.17361919      -1.37404572 
O       2.67515379       2.75147700       7.15283416       1.18615817       3.12843872       2.33790567 
O       8.13411297       6.95514428       0.50913277       0.08097020       1.42927105       0.47998656 
O       8.26678730      10.16224397       2.03270280      -1.44107801       0.26370895      -1.27056420 
O       8.08910116       5.03646317       6.87082497       0.29189697      -1.51637869       1.53525490 
O       4.02889038       5.00431149       3.23355672      -1.63922022      -2.08674438       0.80671532 
O      11.03118731       4.33565761       7.74504465      -0.24173975      -0.43289050      -1.35834928 
O       5.58614291       8.67326246       2.87573881       1.03478858      -0.01539110      -0.87860397 
O       2.40515913       5.39381900       5.46640247       1.69835226      -4.17309491       0.08952083 
O       0.86502343       9.18380220       4.97888457       0.78945308       1.97732215       3.89625602 
O       2.64345563       5.77814881       8.72339067       0.51685466      -2.61599696       1.17366858 
O      10.35060809       1.91217184       8.27357692      -1.52067337      -1.91139228       0.06971183 
O       4.10561279       4.04089681      10.87899218       0.58746907       0.47525575      -2.58316738 
O       0.94481459       6.77523566      10.67075339      -1.56220866      -0.00537339      -0.78100190 
O       9.89610868       5.15852405       3.64829489       1.18354847      -3.27490347       0.53053362 
O       5.09973753       3.89611198       5.48159382      -0.41455596      -0.76948048      -0.95468066 
O       8.79001735       4.63774830       0.69042081       0.37115910      -5.30770967      -1.05051943 
O       2.93398097      10.08135385       3.16329181      -0.58967653       1.39704755       1.25520291 
O       7.24122899       0.66844606      10.67166308       0.66109354       0.39653065      -1.52612328 
O       2.27283024       8.84589430       9.18241045       3.45884318      -1.22254368      -2.57753158 
O       5.34220274       7.02869508       8.60645218      -0.72184130       0.09687683       1.32357158 
O       8.21548960       3.06680414       4.83279873       2.40128394       0.22619296       0.35310040 
O      11.05305542      10.14468174       2.71148673       2.39744483       1.35084045      -1.12737218 
O       0.38483919       6.64191310       7.92967191       0.86918133       1.35076720       0.53822160 
O       1.08605694       0.74264276       0.37529971      -1.77346445       0.83851982       1.52759479 
O      10.38486805       2.16209667       1.40341662      -0.63132191       4.22386104      -1.72438660 
O       6.54322438       5.68091716      10.30310844      -1.18574305      -1.64792695      -0.92190428 
O       0.66541897       3.41727062       4.89599223       0.64949740       1.96391583       7.13359436 
O       7.22520525       4.85815368       3.18158635      -1.61525492      -0.15786336      -3.06895352 
O       9.58627748      10.32450450       8.42715747       1.61693621      -1.22997533      -1.61025548 
O       1.58208876       2.65692345       9.86002733       0.05723711       2.59680631      -0.78428823 
O       3.82954150       7.43158788       6.12338637      -2.59969903       0.10279072      -0.22889981 
O       1.50528149       3.02169836       2.87195497       0.69834615       0.79563535      -0.43353375 
O       9.40203265       0.48144415       5.71401740       0.60394620      -3.22961165       1.64773754 
O       5.51551512       0.02879258       1.01780924       0.19676447       0.44586565       0.07986300 
O       7.52686108       8.84362572       9.59654682      -0.29959204       3.88176141       2.99610753 
O       9.53076619       6.56141151       9.33978895       2.81810282      -2.16222864      -0.07000415 
O       8.03408082       2.86449691       9.38255617       0.10265430      -0.11296115      -1.33219873 
O       3.99390955      10.28486811       7.25478245      -0.96158970       0.39651484       0.09634652 
O       2.82607934       7.16364620       1.08912691       2.34541622       1.35600870      -1.88758933 
O       6.57123711       1.99694966       6.38812546      -1.23705762      -0.89314690       1.01605851 
O       6.64648201       1.29821530       4.04566154      -1.06522949      -3.24778888      -2.00508431 
O       9.49738326       1.13483626       3.21783410      -0.84399771      -0.68524770       0.23937381 
96
Lattice="11.10739 0.0 0.0 0.0 11.10739 0.0 0.0 0.0 11.10739" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.0020825573202622035 3.215285963558607e-05 0.007797519635358295 3.215285963558607e-05 0.010607051063767465 0.0012946187786489513 0.007797519635358295 0.0012946187786489513 0.013401346968400354" pbc="T T T" energy=-890.79875362 free_energy=-890.91504533 config_type=amorph 
Hf       0.49297718       8.45660493       4.79574670      -0.82718598       0.42911852      -2.04005279 
Hf       1.02730106       0.61781680       5.67239179      -2.73069354      -0.11491347       1.20498094 
Hf       5.42712973       6.08581907       4.43249773      -3.98750847      -2.19113498       4.31939711 
Hf       4.69184762       2.00080371       3.60457242      -3.08938694       1.79979319       0.10582490 
Hf       3.79585623       7.55176662       1.69114956      -0.59843134      -2.97345097      -2.57720354 
Hf       4.45635496       8.48410061       8.84668448      -2.04742096      -0.27283450       0.21898374 
Hf       1.46671508       9.64265815       8.83333706       0.88302971       0.58306766       0.83222337 
Hf       0.65145898       2.22188398       8.38012478      -2.27517726       3.37252225      -1.12265951 
Hf       1.32784538       4.77850592       0.01979681       0.04154751      -0.43553976      -2.81725185 
Hf       7.31807469       3.45057835       3.32802452       2.82338302       2.08149393      -3.25926267 
Hf       4.54749664      10.91959902       6.06186076      -7.54547711       1.16949054       2.41552536 
Hf       3.44078496       2.40624510       8.50885121       2.90787053      -3.02976383       0.09528399 
Hf       7.74474342       7.51926940       8.91353819       4.96833000      -3.72109527       2.95741165 
Hf       5.85452899       2.55801226       0.26737620       1.04234142       0.10951041       3.27355344 
Hf      10.05047308       6.11337994       6.72132638       1.65405227       2.24756796      -0.62439594 
Hf       2.95901403       6.12732783       7.50900639       0.26626046      -1.79563150      -3.25735565 
Hf      10.45616117       6.08789082       2.49573101      -2.75780614      -0.24227143      -0.47424791 
Hf       1.08407926       1.68603005       1.38472621      -0.23612240       2.94910782      -2.89816058 
Hf       8.33175509      10.88015524       6.11928496       5.65325399       2.63682465       0.57181915 
Hf       2.33125234       5.20658195       4.21872201      -2.09664000      -3.66197862       1.31339537 
Hf       9.89833061       0.27867931       9.86161246       0.10398949       0.13586118       4.54786353 
Hf       6.26281199       9.45250252       4.38650191       5.43113311       1.04415245      -5.10040755 
Hf       7.12089575       1.68091154       8.73542308       1.52896752      -0.07951240       1.67133855 
Hf       6.87781474       6.59999425       1.28281991       4.16438609       2.05152332      -0.41393894 
Hf       4.91666563       5.00333960      10.21649313      -1.59197758       5.93608054      -2.24483138 
Hf       0.49219022       8.56969660       0.69453066      -0.67860022      -1.55982144       1.37830354 
Hf       6.38432928       3.22101770       6.54483673       0.78898636       4.05964187       0.96229256 
Hf       3.00236639      10.63899336       3.17927846      -0.08342316      -1.58478883      -1.21098704 
Hf       6.05404160      10.07728599       0.15023034       4.38648645       1.79064238       4.23197088 
Hf       9.41937673       3.65518158      10.53708162       1.51038914       0.81979154       5.15962715 
Hf       9.66137499       0.40089636       2.36046777      -5.32170309       0.31787817      -1.05641896 
Hf       9.93743028       3.66624376       4.79651822       4.29167217      -3.30265006      -3.23703943 
O       1.40025145       9.51170313       6.90058189      -1.67104762       1.72502058      -2.35462178 
O       4.26948745       9.28662987       4.38926132      -1.81249572       2.28749061       1.12015518 
O       3.31289558       0.22555810       9.12764746      -2.62160847       1.18176176      -0.40129169 
O       7.62507462       1.45231646       6.88254349      -1.05131300       1.85836278       0.18721415 
O       2.58218882       8.59357205      10.34005851       0.69618553       1.22913921      -2.51964097 
O      10.48868139       8.23042071       2.74343547       2.12520202      -0.85006905       0.32723179 
O       5.83738074       0.58746219       5.13658762       2.45037023       1.47598536      -3.57045854 
O       2.07248347       3.30863801       1.06283494       1.60371327       0.76975663      -0.18844917 
O       5.23981904       5.12606859       6.45119866       0.97619164      -0.75822356      -0.83992940 
O       1.02009126      10.32985626       4.01104958       1.99824923      -1.16235420       1.39539313 
O      10.91704221       8.99475354      10.00330099       2.72791176       3.57101722      -3.43122833 
O       7.40268501       9.31527171       6.05718044      -3.22629284      -3.47200409       1.40527980 
O       9.05259849       2.18382961       9.42619433      -0.68502655      -3.24589524      -2.98396370 
O       2.90833101       1.04527860       5.08969256       4.47334417      -3.08033753      -4.47534384 
O       6.46947798       7.58525962       4.21617675      -0.72792809      -2.70726504       2.89946406 
O       5.27916008       4.58418713       0.85755504       0.80929264      -2.28677525       1.33398288 
O       8.11064883      11.00256578       4.32785267      -0.59469637      -1.27880543      -3.54519460 
O       1.23800237       6.85265961       3.95257095      -2.27172093       0.14416183      -0.14893644 
O       5.65746890       8.30654809       0.91643454      -3.08930307      -3.33984994      -0.58173661 
O       2.95179278       1.25588293       2.13398209      -0.38087293      -1.66601837       1.12402843 
O       4.72772682      10.59961933       2.04925103      -0.25394533      -0.72281512      -0.18841793 
O       6.24942881       2.04023827       2.26876571      -2.70996166       0.50974258      -0.59864081 
O       2.43207967       1.90954395       6.88843018      -2.26591658       1.08645148       4.19250512 
O       8.75423034       7.12705180       1.51858981      -0.99147488      -3.27942434       0.21294633 
O       8.41353603      10.96132071       8.81517692      -1.76607133      -0.39838191      -0.95489831 
O       8.62384324       5.72862440       7.90363308       0.04131858       2.26214812      -1.21930414 
O       6.25413934       5.47670268       2.83745253       1.62734078      -1.30180496      -0.68387061 
O      10.75586621       4.40007259       9.43630617       2.47438887       0.18798036      -1.67925711 
O       7.03524311       8.78153519       2.59717703      -0.10846620       1.82300803       0.15302000 
O       3.29469746       6.43752813       5.39502316       1.10787861      -1.18437795       2.77253297 
O       9.87813848       8.19133303       5.59797594       1.18563361      -1.37149093       2.34500345 
O       2.73168141       4.30350816       9.08117703       0.33816937      -0.72690173      -0.01151153 
O       0.10145690       2.70291227       6.31695785      -0.64525703       1.16110853       1.29387613 
O       5.19902193       3.28847610       9.50562939      -1.37329370      -3.88148241       0.96951579 
O       0.44300959       6.51381446       0.42028642      -0.35028983       0.95880193       2.71547406 
O       0.63017933       4.13263130       3.93660663      -0.84613931       0.81078425      -0.50780715 
O       5.78393165       3.32683769       4.73775857      -1.81884068      -1.24586416      -3.88898115 
O      10.88610869       4.01305835       0.91199147      -0.15162476       1.15949569      -0.06383214 
O       2.20068008       8.50144547       1.91054450      -0.11919611       2.53287829       0.67303590 
O       5.70720313       0.71086941      10.35014713       1.17388529       1.93741938      -0.54128790 
O       3.26464375       6.07267958       0.24038391       0.57082018       0.81914950       0.56206679 
O       4.56031246       6.40456850       8.76067573       0.30937204       2.50792902       0.31659446 
O       8.09245182       3.93914689       5.05983401      -3.00818569       0.53224643       3.65587609 
O      10.78418039      10.33310673       1.00565632       0.77322880       2.33007290       0.36824985 
O       1.01355100       5.69939308       7.26110200      -1.36191163       1.23058343      -0.94795603 
O       9.79760335       1.74415591       0.63385998      -0.18176604      -2.18321434       1.75307737 
O       7.49411049       3.50288360       0.10405536      -1.39265538      -1.21166631      -0.32227411 
O       6.98128652       6.17037596      10.19691991      -2.16598583      -0.23390729       1.83481652 
O       9.75662108       5.70009351       4.74428961       0.99797343      -0.21336091       1.31590428 
O       9.19234701       4.22461892       2.39091990      -1.45187102       3.02738171       2.61813673 
O       0.05295048       0.37265393       8.12852485       0.67262299      -0.64746350       1.50568306 
O       0.44264160       2.07950379      10.42814133       2.27971402      -1.75045712      -2.71659765 
O       3.06976492       8.01864899       7.32157463       1.07183992       0.88789919       3.28008996 
O       3.40547624       3.50809130       3.56086862       1.67339466      -0.85343941       0.82059743 
O      10.24346209       0.69947544       5.57336330      -1.08662361      -2.07201798       0.08312024 
O       8.14030079      10.88247446       0.92143020      -2.18154940      -0.75492971      -1.43580107 
O       6.44919266       8.84962127       9.61519235      -2.02483938       1.37126626       0.02196945 
O       9.32240088       7.51268660      10.08629686      -4.12537859       0.19715481      -3.16146953 
O       7.07524160       3.77197223       8.37435360       0.63881487      -3.08953273      -1.81098078 
O       4.88396226       9.93775184       7.58242990       1.46422453      -1.95146987       1.74938331 
O       3.43937543       6.12448911       3.06440772       4.84134963       3.15604966      -3.90795779 
O       5.06499117       1.82030606       7.28939574      -0.03032746       0.14963939       0.76817586 
O       8.58653629       2.10496714       3.37856880       2.51218270      -1.92308184       0.32400746 
O       0.19671099       1.19010885       3.01175914       0.51367939       1.32596040       0.73166231 
96
Lattice="11.10739 0.0 0.0 0.0 11.10739 0.0 0.0 0.0 11.10739" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.004282483797931101 -0.006913287278196189 -0.02122981947084969 -0.006913287278196189 0.01181774793377387 0.0135347303589864 -0.02122981947084969 0.0135347303589864 0.005429285109438541" pbc="T T T" energy=-899.92264714 free_energy=-899.92720531 config_type=amorph 
Hf      10.94334274       8.41518770       3.75581287      -0.16726098      -0.93638638      -1.12719854 
Hf       2.81775813      10.27769507       5.42744607      -3.57610678       0.73488497       0.93210569 
Hf       5.30049893       5.92800893       6.44476692      -3.20536654      -0.37594733      -6.65084202 
Hf       2.30477021       3.23684495       4.53570459      -1.50560177       0.39611607      -0.85962118 
Hf       4.14117888       6.81482151       2.64077864       4.01086987      -4.45736314       6.55098109 
Hf       4.25890499       9.94089623       9.42047369       0.27566607       1.24911097      -0.32460211 
Hf       0.07680549       0.02311415       9.25434624      -1.89173600      -0.14601211       1.61086119 
Hf       0.59655392       2.31765845       7.01831856      -2.25248492      -0.26464599      -3.11477809 
Hf       1.24449908       5.53641079       9.23339725      -1.18649679       0.70139859      -0.81872475 
Hf       6.55839508       3.31428612       3.97300400      -2.65994984       1.30649644      -3.34628852 
Hf       5.35773365       0.20533943       6.89843994       2.25655122       2.11589773       3.04389341 
Hf       3.56264925       3.78231166       8.67028157       1.08058967      -1.61593328      -0.22992922 
Hf       7.37223343       7.24454454       8.87839941       4.04160091       2.49479901       0.97588282 
Hf       5.17948059       1.76641812      10.97340044      -0.26068089      -0.14777482      -0.12378907 
Hf       9.61632786       5.96636164       6.99208123       2.00987662       1.63221775       0.17656281 
Hf       1.71669789       6.81181840       6.12968581      -3.57088954      -3.65882677      -1.55727763 
Hf       9.97395982       6.28947662       0.02776170      -3.72486634      -0.62631377       3.91597370 
Hf       1.48077725       2.53478793       0.55599996      -1.40288505       3.27144348       2.81673924 
Hf       9.94112394       9.71187040       6.75307997      -0.57122384       2.62796573      -2.02803517 
Hf       1.48418789       6.26043923       1.88504649      -3.46239347      -0.94661023      -1.03602965 
Hf      10.12692358       0.10221942       1.72330223       1.28196851       2.29618152      -1.01023131 
Hf       7.27246741       8.03466173       4.20471393       0.90030515      -3.16541443       2.15678808 
Hf       8.22167020       0.51125872       8.72047520      -2.73806959       3.76689487      -3.47337206 
Hf       6.92455441       5.31378393       0.92829612       2.65984699      -1.10272642       0.47768409 
Hf       4.63311852       6.49397744      10.27140995       0.92932280      -0.69733887      -2.22721462 
Hf       1.96673723       8.98005335       0.09038183       1.79267984      -1.18620226       1.02548219 
Hf       7.38151233       3.68865337       7.21430279      -0.48571282      -4.86635392       1.22702928 
Hf       4.53436915       0.69196685       3.24239776       2.84800862      -0.26287896      -5.99766341 
Hf       7.02092779       9.61235841       0.33986470       2.42115437       0.23818129       1.84354504 
Hf       8.62197631       2.49637724       0.08601963      -4.54170925      -1.93762299      -3.34478528 
Hf       7.72956272      10.72418116       4.22527126       4.48983012       2.34105264       3.46395954 
Hf       9.94756889       2.93796930       3.40253044       2.61940446       0.03301578       3.09522109 
O       1.07383970      10.78237022       7.20001657      -1.93021317      -0.08265594       2.75723693 
O       6.63374984       9.37008502       5.47812176      -1.03707743       0.79385417      -2.12763143 
O       4.29013897       1.25792702       9.06676708       1.33869139      -0.01053828      -0.35858240 
O       6.54332013      10.31459215       7.98207146      -0.42032988      -0.14989077       0.66608817 
O       3.13519445      10.66954690      10.92067200      -1.02131736      -3.60156260      -1.34797401 
O      10.73144295       7.09528222       2.13188324       0.65841282       1.10651819      -0.16005293 
O       9.09041127       9.23864394       4.60952453       1.53531395      -3.28796904      -0.53275667 
O       0.34857411       4.89715084       0.93064345      -1.22542542      -0.01612123      -2.34133446 
O       5.68905554       4.53305759       7.71179545      -1.18337988      -2.66497284       0.98801366 
O       1.86175829       1.38461258       5.61785873       1.96126289      -1.32738304      -2.24616117 
O       0.18871089       9.22511525      10.76055286       0.18826134       1.71251744      -1.69831177 
O       9.24376945       8.11171570       7.51574669      -0.92565455      -2.53849017      -0.72896582 
O       9.75722699       1.09827318      10.28463230      -0.04994941       0.10753110      -0.42538455 
O       4.46551389       0.15510848       5.06473459       1.34997140      -0.09614765       4.32828461 
O       5.93372657       6.70303107       4.62742642      -1.37862308       0.76340991      -0.58606720 
O       6.53761027       2.90947462       0.80301465       1.45781983       0.60660996      -0.43803162 
O      10.77530270       6.44553978       5.46985475      -0.51583847       0.44665682       0.41910034 
O       2.04178398       7.56822144       3.65563898      -0.93679424      -0.47689970      -1.19553046 
O       5.34496948       6.76162611       0.96354109       1.68637296      -0.39002931       0.67017015 
O       3.14374136       1.87604472       0.28734240       3.41126768       0.75033377       0.97271462 
O       5.80349820       8.88088368      10.11628803      -1.19808693      -1.04120237      -0.92927161 
O       3.96984350       2.46371918       3.23906387      -1.50844227       1.32800006       1.48693863 
O       2.29195183       3.02814498       7.29530498       1.94283857      -0.06960348       1.80602501 
O       8.17622909       6.81312907       1.20129433       2.37789128      -2.60084809      -0.61161396 
O       8.77375169      10.21836006       0.95343237      -1.01257619       0.25508376       0.01374609 
O       7.52163638       5.89556836       6.54014131       2.66223594      -1.37247254       0.86152412 
O       2.75327840       5.00280889       2.60713080       2.38080007       1.10579109       1.29507869 
O      11.05280773       4.47816365       7.91413267      -0.61154827       0.25032529      -1.31520883 
O       7.35206186       8.68060900       2.45424358      -2.43487205       2.56929119      -0.48714830 
O       2.66385435       4.92711913       6.04166686      -0.21905978       1.13801386      -1.73656979 
O       0.31896770       9.04589529       5.54969023       2.33865720      -0.11965240       0.69323984 
O       3.18226168       5.92212268       8.88468541       0.10155552      -3.86315020      -0.05264161 
O      10.07627266       1.18534156       7.71596795       2.58681399      -0.14406514       0.83952235 
O       4.79077048       4.27529528      10.09920231      -0.43531518       0.54779901       2.04068982 
O       1.34155223       6.82153337      10.81505283      -1.51558580       0.45460844       0.28336738 
O       9.60488169       4.72661586       3.42656206      -2.14337998       0.60410382      -0.30385571 
O       5.22614940       4.13358142       5.01283631       0.64107116      -0.34077648       1.50540664 
O       8.66628258       4.31107918       0.19944307       2.26565536       4.56635586       0.03947897 
O       3.26655955      10.37816785       3.28070159      -2.46168973      -1.69275463       1.22346592 
O       6.95875362       0.58586762      10.21860076      -0.99179198      -0.66209044       2.42945835 
O       3.51385004       8.08869452       9.94446848      -1.95173251       2.76819213      -0.44297513 
O       5.69336221       6.91557498       7.90546557      -0.88245081       4.16789353       4.61889877 
O       7.90465396       2.91199045       5.20452920       1.64580393       1.59262614       1.87551805 
O       0.07250649      10.03828494       2.73426110       2.31946660      -2.49653483       0.96052137 
O       1.27607650       7.10056434       7.96800840      -1.81031124      -0.45416139       1.05494501 
O       0.65967011       0.87005619       0.31644299      -0.41761016      -2.22061614      -0.29519325 
O       9.62895496       2.11846173       1.64553150       0.51761772       0.19795548      -0.81208634 
O       7.03000053       5.86667481      10.13151748      -3.27342304       0.75208830      -2.20013604 
O       0.29407059       3.16153707       4.86065840       0.25339487      -0.12602684       5.54848824 
O       6.13888984       5.06166039       2.63472367      -0.85325265      -1.35755621       2.60454040 
O       9.38408322      10.20658211       9.06241754       3.87792029      -3.00057905      -1.82306109 
O       1.67478137       3.44414017       9.88326399       1.15131996       2.08363445      -1.66756437 
O       3.33391143       7.48814260       5.92582744       5.90495446       3.65544335      -0.34873286 
O       0.84959682       3.08724374       2.82036403       2.57948789      -1.47336635      -2.83839083 
O       8.43351511       0.11777210       6.15890902       0.17414251      -1.57459063       0.21072841 
O       5.43333743       0.47665232       1.31189839      -0.63889135      -1.74789892       0.25513154 
O       8.12060072       8.30497407      10.46838430      -0.05907351       0.04655618      -1.47308059 
O       9.30906424       6.04546781       9.06686049       0.75090956       0.69877953       0.92775139 
O       8.27315262       2.58707741       8.88225278      -0.84703720       2.76932637      -0.51221380 
O       3.62375700      10.23862871       7.53107455       1.05566602      -0.03207376      -2.47982361 
O       3.25544361       7.18598905       1.17522140      -5.54217018       2.94787640      -3.79830870 
O       6.41943197       1.95997216       7.25705169      -1.14182206      -1.17655938      -1.09936682 
O       6.86537379       1.03115133       3.38647371      -4.06814564       3.25637363       0.08928237 
O       9.47262911       0.69013691       3.59635929      -0.78278214      -0.66361227      -0.25545807 
96
Lattice="11.10739 0.0 0.0 0.0 11.10739 0.0 0.0 0.0 11.10739" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.012015933174949998 0.011890505367933528 0.0017190935345347414 0.011890505367933528 0.0012216187183050427 -0.010639240904344621 0.0017190935345347414 -0.010639240904344621 0.01700273887806315" pbc="T T T" energy=-898.67491555 free_energy=-898.71508396 config_type=amorph 
Hf       0.29359131       7.93123816       4.24779594       0.92911118       2.01453818       1.13395619 
Hf       1.09146101       0.74291200       4.88311276      -2.95212506      -0.91278836       3.83669295 
Hf       5.05877025       5.98318212       4.49058860       0.43969739      -1.31626349      -1.10091704 
Hf       4.33255632       2.26347027       3.36288328      -4.53391870       2.19203071       3.39310660 
Hf       3.31326790       7.90773170       0.75183190       1.90712665      -1.92155515       4.37549220 
Hf       4.71043872       8.69395475       9.22535128       3.54015209      -0.45566019      -0.38873373 
Hf       1.91176642      10.01708149       8.43609503      -1.08724606       2.49139839      -0.00958080 
Hf      10.94192243       2.33128566       8.59707410       3.91590960       2.59469535       0.61684976 
Hf       1.56838835       4.82619794      10.84639866       0.32298154      -1.38752497       1.27540974 
Hf       7.41627424       3.75512465       2.54660541      -1.39461976       2.62943050       0.26834719 
Hf       4.30785981       0.19079519       6.51574326      -0.36815441       3.68797354       1.88278511 
Hf       3.26501651       2.68825629       8.77224275       0.23004723      -1.69725144      -4.69620883 
Hf       7.92078877       7.60687249       8.92954560      -2.71818947       2.21523755       0.99095080 
Hf       5.64243894       2.41615911       0.29375692      -0.90906037      -4.84041887      -2.10616348 
Hf      10.39789147       6.03266632       6.57975992      -2.00975615      -0.00089226       0.03466966 
Hf       3.12524689       6.40607689       7.30284579      -3.96602008      -0.13797728      -0.62607411 
Hf       9.88069207       5.77664431       2.36647331       0.75963104      -1.46570902       0.37284950 
Hf       1.53534686       1.82227496       1.28662485      -1.52389337       3.89575153      -1.29187689 
Hf       8.23773204      11.10061816       6.30767230      -2.11252259       5.66404776       4.94665825 
Hf       1.59281094       4.89229202       4.76105543       1.71857180      -1.16816587       0.09927915 
Hf       9.82130441      10.62882421      10.47950057      -2.36491617       0.38238408      -0.61516833 
Hf       6.83046293       8.92378876       4.40261596       0.45774068       1.61146888      -0.50512592 
Hf       7.70581113       2.14218390       8.73426303      -1.74511425      -0.11273070       0.39477167 
Hf       7.53127182       6.88183306       1.23228084      -0.30849890      -0.50471769      -3.83959991 
Hf       4.94299892       5.12946023       9.81757533       1.19611407       1.01790951       1.96892087 
Hf      10.84380219       8.17342758       0.66484938       2.93302927       0.62226243       3.15954661 
Hf       7.11072449       4.07000017       6.46631493      -0.11905825       2.22941535      -3.94011067 
Hf       2.89033892       9.93981948       3.30077042      -3.77742713      -0.95752359       1.05303530 
Hf       6.59679077      10.01954689       0.83640624       0.67420865       0.63606966      -0.77926881 
Hf       9.74651569       3.37995956       0.44013111       1.93835315      -4.12181793      -0.92325530 
Hf       9.39578041       0.20796322       2.78005254      -1.56838987       0.45890554      -1.63917174 
Hf       9.73248439       2.75073802       4.98888755      -1.32144017       2.65014866       0.01469091 
O       0.98580274       0.06700622       6.85579778       1.74673849      -0.79210609      -0.38577776 
O       2.18796367       8.88004008       4.79693963       1.17297025       1.01611259      -0.97606256 
O       3.20159609       0.74162399       8.53182818      -2.54350769       0.22279717       1.43123716 
O       7.83734306       2.01658220       6.58564784      -1.37978806       2.42425439      -0.34135209 
O       2.87032185       8.93905164      10.13876761       0.31226770       1.00470087       0.43820595 
O       9.34642694       7.67379485       1.84319451      -0.53933777       1.08421343      -0.79213812 
O       6.01465368      10.51234357       5.79194107       0.43027364       0.34011730      -0.95586971 
O       2.57937355       3.05724567      10.60961187      -0.43785923      -1.26357610       1.17150613 
O       5.47220263       5.35624037       6.22084094      -0.59275971      -1.43718241       2.10884534 
O       0.03141770      10.34325799       3.99802461       0.94773632      -1.33004676      -2.03291884 
O       0.01598409       8.97124630      10.10903613      -0.76779214       1.19611749      -1.54684073 
O       8.42053535       9.73556280       5.28913896       0.21227588      -7.81780851      -5.24066563 
O       9.24075146       2.77514607       9.68386234      -0.52587808      -1.04733024      -0.56150012 
O       3.17503743       0.59970354       4.84860344       2.09208121      -1.24422504      -0.58491563 
O       6.66694027       7.39582431       5.49609041      -1.90667491      -0.27663086      -2.13581394 
O       5.14641667       4.17151594       0.52860891      -0.42372686       4.19694321      -0.91018434 
O       7.25292474      10.38397613       2.77463502       1.21649210       0.50107769       0.35585764 
O       0.38560504       5.89073775       3.39231187       4.00086545       1.91380138       3.41716761 
O       5.21393471       8.34635665       0.22059665      -0.24322077       1.93571995      -2.18512461 
O       3.45560111       1.98179952       1.69490041       1.88207437      -0.44921034      -1.56002466 
O       4.37141019       9.55822221       2.28492819       1.57645489       1.87241913      -0.62133988 
O       5.78677958       2.16589862       2.27181458       2.46263491       0.38255923      -0.98922879 
O       1.92252415       3.18651492       7.41986581      -0.38733990      -3.53345235       2.53300763 
O       8.57416244       4.90224091       0.69868993       0.58614733       2.39851008       1.34489596 
O       8.34003732       0.22763940       8.28957123       0.24457813       0.81070209       1.49218943 
O       9.59432712       6.79462194       8.18987085      -0.34670045       0.84547746      -0.17324111 
O       7.96360543       5.91228631       2.89710788      -2.23086404      -1.39238012       0.04913524 
O       0.14282615       4.17784104       9.70949453      -0.32677671       0.37429259       0.59726662 
O       6.66679599       7.98457740       2.30134091      -1.61397513       3.37599695       3.46525347 
O       3.13000219       6.12168994       5.25251157       1.14378845       0.58056858       0.83294976 
O       0.86498378       7.11238193       5.89955358      -0.18326882      -0.45098376      -0.97572248 
O       3.17891091       4.80317299       9.02978191       1.14284160       1.82823033      -2.74298821 
O      10.15648479       3.28996238       7.15881660      -0.73136208      -0.81632702      -2.90617474 
O       5.63056936       2.91458125       9.20412217      -0.31605722       1.34443942       0.80895607 
O       0.20853458       6.19203126       0.82902127       0.18062340       0.71504825      -1.70253339 
O       0.55605105       2.87108249       4.75567268       0.67839009       0.08061949       0.64671658 
O       6.26667048       4.13160164       4.31823134      -0.68173420       0.47595872      -2.49387703 
O       1.03232327       3.76391660       1.50417097      -0.10937676       0.19001842      -0.71050240 
O       1.72937730       8.39382841       2.18623048      -1.56057927       1.40638107      -1.78200830 
O       6.05359808       0.19624692      10.37830858      -0.50442675       0.25028456       2.62262027 
O       3.26936694       6.02914016      10.95737581       0.52448642       1.84471351       0.48179503 
O       4.91824522       6.90196509       8.05234115      -1.79590313       0.51800100       2.80022948 
O       8.79289872       5.00063473       5.37396754      -0.25138328      -2.55752941       2.94098745 
O      10.27894076      10.24188218       1.27983668       4.39959367      -3.01236290       0.97615961 
O       1.30429627       5.16483616       7.01422293      -0.57432503       1.57596428      -2.17323913 
O       9.97891739       2.03570113       2.17247264       0.46226517      -1.83761754       0.14221448 
O       7.46789505       2.82295916       0.27634642       1.78887270      -0.23112951       1.12999461 
O       6.63699364       6.74133379      10.24949607       0.59670012      -2.11761288      -0.86489535 
O       9.66493535       7.42953146       5.07052642       1.47043617      -0.28802217      -0.39312159 
O       9.83271448       4.20510790       3.37564623      -1.72564912      -3.53958692       0.09467875 
O      10.85005465       0.42731829       9.09610070       0.99336686      -1.02899735      -0.38217198 
O       0.07718014       1.99666998      11.04420728       0.00333103      -2.18844001      -1.12426923 
O       1.93518958       8.19619717       7.97120000       1.85548148      -2.86218664      -1.52649692 
O       3.42721862       4.10183506       3.78110651      -0.25572473      -0.90831397       0.55039296 
O       9.82149846       0.56375314       5.14463304      -0.86355800       4.87047211      -0.22705167 
O       8.51771135       0.12405655       0.72772609      -3.01510062       1.97506676      -0.15488173 
O       6.72488841       9.06320994       8.25707856       0.27759492      -2.41371590       0.94128319 
O       7.99730158       9.06917072      10.66373974       1.77450014      -2.03418856      -0.46118997 
O       7.90622665       4.48319385       8.08613849      -1.39425527      -0.81385924       1.45786265 
O       3.99296242       9.98385062       8.00194658       0.29444337      -2.81909902      -1.91780813 
O       4.09985128       7.14342964       2.42043390       0.41901247      -1.96600527       1.32305510 
O       4.38313748       2.16609566       6.88347751       1.76198911      -1.54865892      -1.22602631 
O       7.79128460       2.24490449       3.34626851       3.72838076      -3.96897387       4.02209054 
O       1.75628818       1.24312265       3.14082412      -0.30459002      -1.53294394      -1.67761277 
96
Lattice="11.10739 0.0 0.0 0.0 11.10739 0.0 0.0 0.0 11.10739" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.037921997001593 0.015163565442534761 -0.007076788328329601 0.015163565442534761 -0.009934286728046608 -0.00198380443749888 -0.007076788328329601 -0.00198380443749888 -0.013262396457507965" pbc="T T T" energy=-892.77043562 free_energy=-892.88125847 config_type=amorph 
Hf       0.40202976       8.28940939       4.75019763      -0.47316545       1.27151089      -1.71549767 
Hf       1.06672674       0.71903112       5.58031530      -2.75923045      -0.42941315      -1.12081182 
Hf       5.25669761       6.04419557       4.36805865       6.49217667      -0.55713640       4.97400097 
Hf       4.67555819       1.92932332       3.60857286      -5.22198933      -2.80739557      -5.72872317 
Hf       3.68866714       7.56751412       1.69116477      -0.94075477       2.38671385      -3.22042697 
Hf       4.47781266       8.52427371       8.91453186       5.38686370      -1.80579470      -5.23784045 
Hf       1.52370021       9.64374912       8.83451911      -0.57329304       1.26176556      -5.64781169 
Hf       0.46427924       2.24105955       8.46566123      -3.34515326       3.23073302      -2.19568875 
Hf       1.45501411       4.74710922       0.07684303      -1.59801151      -0.21649242       0.30112330 
Hf       7.24286800       3.57422648       3.22527327       4.31222087      -1.45445226      -0.81371964 
Hf       4.43946206      11.06250148       6.26458351       1.10376999      -2.54301065       0.76948315 
Hf       3.46810981       2.40076016       8.46041544       3.50884267      -3.08626689       1.46484613 
Hf       7.81121748       7.41435321       8.91424440      -4.93479709      -0.08484609      -3.62403440 
Hf       5.77932175       2.59410505       0.23323753       2.47951030      -3.97943932       3.41760328 
Hf      10.07364543       6.11179481       6.63096588       3.47808204       2.84370654       3.20364534 
Hf       2.98390458       6.10813148       7.44532484      -1.14311436       2.39637698      -2.81039837 
Hf      10.41187778       6.08914306       2.62192151      -5.42260765      -2.07847811      -2.23921450 
Hf       1.12300889       1.67158311       1.27414715       0.58422573       2.65581767       2.81363675 
Hf       8.32742865      11.01206571       6.13713076      -1.99191882      -2.55908062      -0.69001056 
Hf       2.20557522       5.19613479       4.17948804      -0.89050018      -3.88006857       0.42628284 
Hf       9.87817103       0.26556970       9.80403375      -2.79582379      -3.36896373       2.04245592 
Hf       6.29933953       9.55205872       4.35093083       2.94460910      -4.00879214      -1.74271290 
Hf       7.22590290       1.72470143       8.72872777       0.69171330      -1.99485999       1.06636003 
Hf       6.94160537       6.71433073       1.08694953       3.60112542       0.03098618       2.06887203 
Hf       4.89713984       5.12915511      10.21928219       2.39002995       0.05163588      -1.02199189 
Hf       0.40138653       8.64486598       0.71541466      -4.17584565      -3.09218863      -1.80228043 
Hf       6.53503479       3.31796589       6.53637512      -1.55590876       3.86424047      -4.82566865 
Hf       3.01271004      10.57273634       3.30501767      -0.94032940      -0.04315285      -5.55155934 
Hf       5.99868470      10.08201896       0.39932567       4.33913590       0.12211253       2.42611835 
Hf       9.56018389       3.56338100      10.68397529      -0.18782295      -1.93514939       3.09051997 
Hf       9.61397676       0.41905050       2.43229726      -3.81202842      -0.39763149       1.81078935 
Hf       9.90274890       3.53273927       4.77965831       0.78506152      -1.03094624      -2.22113640 
O       1.16250388      10.22611935       6.55640297       1.45769303      -0.58679810       0.80730672 
O       4.14227673       9.63983720       4.45991821       3.20320010      -2.29753152       1.39503524 
O       2.81827495       0.09758131       9.18767735       0.41837883       2.51958800      -0.31399828 
O       7.73613786       1.77167836       6.75301666       0.75285049      -3.40892270      -0.32632245 
O       2.97119472       8.82852956       9.66882882      -6.24106264       0.37471227       8.92884475 
O      10.49426352       8.32613098       3.06289134      -0.46796918      -0.38592679       0.05998151 
O       6.13471335       0.20687358       5.25844769      -4.89925683       1.83611451       3.57891427 
O       2.43258961       3.33578980       1.06067488      -0.58437067       0.07518331      -2.26545856 
O       5.66633604       5.05947846       6.20562782      -2.02585454       0.58772750      -0.04510050 
O       1.42804481       9.95943491       4.11210051      -1.81712059      -1.00262420       1.06267403 
O       0.03565461       8.49341749       9.66958279       1.84257854       2.15532624       1.71900974 
O       7.30578236       9.11385930       6.36165033       0.92916590       2.12662235      -1.93483045 
O       9.22260954       1.97421028       8.98434269       1.72786975       1.91245810       2.31286792 
O       3.37560646       0.72540687       4.72457332      -1.91600078       2.56771435       2.88192554 
O       6.48536077       7.53225271       4.04519426      -2.26623291      -1.78891371       2.49252193 
O       5.59163162       4.20872991       1.10232093      -3.05717345       3.54106216      -2.00506158 
O       7.68543606      10.91267257       4.06943824       5.49410355      -0.68733339      -1.61399811 
O       0.83785309       6.56735352       3.56684517       7.10844363       0.69025585       3.57236188 
O       5.17589590       8.05189374       0.71707510       3.04300324       2.48050431      -1.33774320 
O       2.85447261       1.29846778       2.49123874      -1.00414945      -0.18807130      -2.51094534 
O       4.76511618      10.89889340       1.69115211      -1.02439919      -2.07002882       0.20271429 
O       6.16156225       1.79187559       2.17648974      -0.00002550       2.24297767      -0.49770039 
O       1.97181064       1.95663339       7.39365581       2.16114711      -1.28215834      -3.01531206 
O       8.86339066       6.26556163       1.36795605      -2.43620524       1.44707752      -0.99807498 
O       8.42678948      10.67053346       8.48228666       0.79890352       2.10973563       0.36333645 
O       8.51674079       5.99669259       7.62959810      -1.26566517       0.25751913       1.95123372 
O       6.75452748       5.32784966       2.75775112      -1.47774149       2.35662481       0.28714063 
O       0.11007535       4.20932916       9.50308202      -0.66632444      -0.48304042       1.28714699 
O       6.86638268       8.86648340       2.30571400      -0.40970252       0.44914236      -2.20427957 
O       3.38274829       6.39576168       5.48249252       0.39516396      -1.17490307      -0.75528536 
O      10.02141059       8.01512406       6.00261372       1.46148721      -0.39613872       0.51644983 
O       2.85670341       4.18927321       8.94332699       0.11629926       1.89021421       0.49444046 
O       0.17346966       3.05281571       6.31944535      -2.53741736      -1.55567626       1.12769401 
O       5.32569871       3.13961175       9.43878667      -2.38488350       0.92015020       0.03508526 
O       0.31612665       6.33819085       0.84266181       2.07678029       0.93569238      -1.11108858 
O       0.81477748       3.78000454       4.01725117       0.90438733       1.82689592      -0.02816190 
O       5.91246803       2.78877628       4.46248823       5.25944096       3.68190224       5.53643650 
O       0.06788559       3.95299148       1.29587187      -0.99862980      -1.37515010      -2.65497468 
O       1.92783349       8.32638300       1.71640587       1.37304283       2.17654041       1.11467628 
O       5.97480437       0.85766545      10.17162771       0.62940151      -1.33935898       0.15320751 
O       3.86837516       6.30078883       0.23333472      -3.54276087      -2.60062737      -0.35858968 
O       4.49515362       6.52950120       8.80216750      -0.04491317      -1.76740385      -0.76180529 
O       7.85352386       4.22049686       5.21105046       1.19665094      -2.10191166      -0.16432778 
O      10.63614276      10.24051686       1.19555470       1.73083355       0.99524407      -1.35627256 
O       1.16417354       5.63615804       6.63989866       0.33576856       1.01843741       0.83445417 
O       9.77293295       1.59149472       0.91744676       0.68453349       2.10990629      -2.46640381 
O       7.56073728       3.54566349      11.06875650       3.03228674      -2.28638325      -1.02123422 
O       6.88543307       5.81609576      10.20465887      -2.41707832       1.58048729       0.51694703 
O      10.14540061       5.56428990       4.95085252      -0.42422245      -1.07247705      -3.55593342 
O       9.22892109       4.57780460       3.03288395      -0.54284467      -1.95310027       0.25971037 
O       0.23171426       0.27280605       8.44691696      -1.53017498      -0.91175491       0.15444545 
O       0.35308816       1.61784989      10.31687628       1.17272437       0.87384801       3.28115533 
O       2.90760703       8.33506199       7.39947431      -2.21182883      -3.58494919       0.25040909 
O       3.77650838       3.65141917       3.56443443      -1.64934737       2.85343975       1.26771678 
O      10.16190008       0.32278086       5.61154984       1.26735439       0.46290028      -0.38325217 
O       8.13858425      10.66256924       0.79185439      -1.56779841       0.38605276      -0.83917252 
O       6.22044719       8.78436868       9.61053258       2.81311542       0.65511391       1.79320686 
O       8.62501596       7.72996359      10.36894339       3.16158780       1.16130804       4.35392651 
O       7.34602777       3.57413407       8.20251073       0.27162653       1.11375098       2.02572694 
O       4.92964051       9.58642943       7.40465990       0.44169189       2.39360109      -1.61132090 
O       4.25879503       6.38629596       2.89159706      -3.27387174      -2.68378257       0.16315276 
O       4.84392745       1.73594111       7.01645007      -0.02279185       2.28908693       1.96462722 
O       9.05944986       2.13002219       3.40287711      -0.57580027       0.88330701       1.37783005 
O       0.48468818       0.94956344       3.12801730      -1.32239577       0.36070461      -1.53159067 
96
Lattice="11.10739 0.0 0.0 0.0 11.10739 0.0 0.0 0.0 11.10739" Properties=species:S:1:pos:R:3:forces:R:3 stress="-0.025916272557557973 -0.0037605384898149177 0.005163543770766775 -0.0037605384898149177 0.012455001914855057 -0.0003277946283710995 0.005163543770766775 -0.0003277946283710995 0.021058966940331974" pbc="T T T" energy=-888.45178822 free_energy=-888.57118158 config_type=amorph 
Hf       0.45551395       8.38207090       4.78692788      -0.16334961       1.05473107      -3.16959472 
Hf       1.04777687       0.66249839       5.63106097      -0.53170448      -0.30351790       0.81476840 
Hf       5.36278751       6.08766789       4.39001440      -4.47655096      -7.15549721       4.07615127 
Hf       4.69595391       1.96433870       3.61213178      -2.96424731       2.59405392      -1.21669410 
Hf       3.75366003       7.56009183       1.68365562      -0.44372476      -0.75565167       2.56569773 
Hf       4.47162029       8.50268350       8.87943828      -2.91906631      -0.17960487      -0.70281092 
Hf       1.49033683       9.63883865       8.84523241       0.40420679       1.21479123      -3.06395871 
Hf       0.57675145       2.21760408       8.42488589      -1.00726454       3.55740334      -2.40323106 
Hf       1.37973888       4.76545829       0.05347164       1.23333097      -0.04486001      -3.38892875 
Hf       7.27323260       3.50147019       3.29628837       3.62544040       0.46228534      -3.76075158 
Hf       4.52322111      10.97888405       6.13627083      -7.35617798       0.90456539       3.77934652 
Hf       3.44153838       2.41793063       8.48916436       2.95005558      -4.14429744      -0.53071231 
Hf       7.76861453       7.48213917       8.91399892       2.57463001      -2.18534432       1.02161803 
Hf       5.81315719       2.57472810       0.23690919       2.89308744       0.08738100       4.73807623 
Hf      10.05734078       6.10432109       6.68056271       0.39079755       2.20226684       0.36508585 
Hf       2.96618862       6.11233663       7.50185090       1.51318237       2.22162867      -6.22543283 
Hf      10.44718906       6.09323747       2.55421286      -2.39106812      -1.21710058      -1.41479039 
Hf       1.10131538       1.66825012       1.33534298      -0.37207934       3.47805649       0.63820956 
Hf       8.32240934      10.93397798       6.12819320       2.48876957       0.85407027      -0.41712127 
Hf       2.27832396       5.21816463       4.20680711       0.33682181      -4.84549449      -1.98526308 
Hf       9.89458375       0.27747438       9.82545602      -1.28917714      -0.99479237       3.52846769 
Hf       6.25938981       9.50506447       4.38421879       5.77860503      -2.96824659      -3.84172165 
Hf       7.16152558       1.69919530       8.72725959       1.17516419       0.29584867       1.63474319 
Hf       6.88907241       6.64721366       1.19351860       4.59687008       0.30172678       1.90470307 
Hf       4.90434465       5.04669307      10.21673582       1.17222928       2.73323246       0.49465415 
Hf       0.46997200       8.60882449       0.70458029      -4.80846752      -1.99539458      -0.23024307 
Hf       6.45113101       3.24295146       6.54396569      -0.71495769       5.61911183       0.11015658 
Hf       3.00854921      10.60981203       3.23755538      -0.57359701       0.32689562      -0.91244478 
Hf       6.01782284      10.07428777       0.24134970       3.56969608       1.49110093       4.23109776 
Hf       9.48263976       3.62464581      10.57978898      -1.69787612      -2.91935398       6.16727655 
Hf       9.65762113       0.40429856       2.38969964      -4.69554066       1.51994702       0.12195264 
Hf       9.91168180       3.62111299       4.80322253       3.51873073      -3.62374313      -4.18151159 
O       1.34323789       9.75037328       6.83780203      -1.51814755       1.82234002      -2.41755630 
O       4.21053253       9.38950907       4.39274571      -0.24783922       1.63466983       0.47536340 
O       3.16973110       0.10520864       9.16932528      -1.89324451       1.58279520      -0.43367714 
O       7.63219346       1.67443460       6.83027344       1.07287881      -2.10788190      -0.04697457 
O       2.72876439       8.72149108       9.96932638       1.53572945      -0.95672316       1.36970744 
O      10.42873925       8.31444112       2.83525882       1.82013209      -1.26455076       1.26765777 
O       5.95819638       0.36500672       5.25248558       1.40526020       1.26675881      -2.73035699 
O       2.15636737       3.34287310       1.10495105       2.15801706      -0.84954404      -0.92844973 
O       5.43426768       5.10433821       6.36040841      -0.19743017      -0.19956883      -0.33153206 
O       1.15567095      10.25518017       3.98709072       1.42368860      -2.37638478       1.79187770 
O      10.86923678       8.63919443       9.92211708       3.94707252       3.87437240      -1.85414804 
O       7.41856136       9.24356996       6.20960859      -1.66080632      -0.49291075      -0.50992754 
O       9.10723663       2.11104688       9.23573214       0.27378160      -0.52201586      -0.01536126 
O       3.01616177       0.96766204       5.02386561       2.92485424      -1.89721353      -2.77823844 
O       6.42225180       7.38159974       4.04305397       2.60814044       6.75019737       2.37997479 
O       5.51892509       4.41393039       1.12876963      -2.89489576      -0.00944020      -4.97373402 
O       7.83243237      11.03432792       4.31734064       1.77741180      -1.89584578      -2.29058178 
O       1.08893808       6.66244667       3.76524982      -1.80587765       2.17967304       0.05827756 
O       5.41260349       8.18847043       0.92020572       0.47043063      -0.05347846      -2.31883047 
O       2.93487956       1.34736828       2.28173459      -0.52231000      -2.12627219       0.44195452 
O       4.74763126      10.80645937       1.91921804      -0.04728205      -2.04443010      -0.55145492 
O       6.28982683       1.86310839       2.22120387      -2.24439547       1.86402324       0.42481431 
O       2.25023348       1.93840628       7.03850524      -0.46017815      -0.14143640       2.15694029 
O       8.89388144       6.79867847       1.44625415      -2.25706860      -1.24195760       0.52313031 
O       8.43874992      10.79202365       8.68831153      -0.60906214       1.13286513      -0.41454667 
O       8.51160429       5.76550482       7.84448411       2.22697286       2.21550023      -1.98612438 
O       6.41164091       5.42606898       2.81054210       1.79001864      -0.67629629      -0.25308613 
O      10.82673969       4.26966561       9.56987609       4.17257358       1.82551388      -3.65838902 
O       6.96735152       8.74846793       2.50409410      -0.06692974       1.96110955      -0.50101900 
O       3.27472226       6.40304379       5.23243007       1.81810523       1.04277613       6.38351819 
O       9.88200519       8.19278943       5.69444674       1.45308255      -2.11232067       2.06675728 
O       2.77387350       4.20672747       8.99250340       0.30906228       1.18046713       0.84173839 
O       0.22346136       2.85212928       6.26347033      -2.42638984       0.13553303       1.48051620 
O       5.35635878       3.24288848       9.43032151      -2.77275986      -0.42124770       1.43732580 
O       0.37564760       6.31030597       0.52771143       0.02029742       3.98878997       2.21904600 
O       0.76896916       3.95740300       3.96902344      -2.08784626       0.38213307       0.08386400 
O       5.90870707       3.14732727       4.74604579      -2.89788365      -2.07476033      -4.81174386 
O       0.04108990       4.05257967       1.06170443      -4.45434728      -1.95097975       0.97071209 
O       2.00077905       8.34091047       1.77276166       2.28640540       2.25127946       1.47749340 
O       5.77169652       0.78752006      10.28096586       1.33513663      -0.37113161      -0.15440721 
O       3.54661506       6.31614946       0.37123585      -0.51020066      -3.74398991      -3.62128652 
O       4.42461570       6.45683832       8.64209813       3.60817437       0.31258068       4.46709360 
O       8.02795443       4.06845246       5.00704691      -0.98105077       0.05637855       3.41070155 
O      10.62984454      10.25356915       1.14127955       2.49737636       0.99985772      -1.50451518 
O       1.26945661       5.66239636       7.02063511      -6.37033316      -0.04889766      -0.81825877 
O       9.77803091       1.69380111       0.73540041       0.14712473      -0.67173133       0.94043366 
O       7.51737637       3.61229795       0.08424078      -0.34966675      -2.39967279      -1.04385895 
O       7.09427700       6.02090937      10.12096669      -4.14024997      -0.20846019       2.29968111 
O       9.90263283       5.62512840       4.80605469       0.60153423       0.81547359       1.33197925 
O       9.21705195       4.30518838       2.60562608      -0.16217969       2.21999309       1.47952017 
O       0.15854278       0.36847656       8.20773053      -0.72761470      -1.03842553       1.53968365 
O       0.32039966       1.92320548      10.39348450       2.39327235      -1.17060383      -0.87061016 
O       3.00799617       8.29336773       7.24204027       0.18861111      -3.93499479       3.27537477 
O       3.50576330       3.59888533       3.51796699       2.01125806      -1.42892122       1.12539831 
O      10.30840811       0.59589148       5.57740239      -3.40729514      -1.67931163       0.39032896 
O       8.25012200      10.81032297       0.92795723      -3.00940068      -0.63283523      -1.67881012 
O       6.39607046       8.75796464       9.55185257      -1.79524576       1.84771005       1.55405114 
O       9.05885129       7.58597427      10.22198384      -1.88398111       0.24185731      -1.69726247 
O       7.15943839       3.78459545       8.30115412       0.85039144      -2.89308640      -0.27182230 
O       4.82441921       9.76004571       7.51491252       2.21089564       0.48506953       0.08496323 
O       3.80214590       6.17622278       3.13493654       0.18986188       1.77579321      -3.70493396 
O       4.97569786       1.74132575       7.10552234      -0.13134400       1.02250867       1.79129586 
O       8.75226422       2.13954856       3.34394141       0.96803284      -0.75778084       1.12157139 
O       0.31493449       1.02155166       3.13387367       0.24244213       1.95789416      -2.12103260 
96
Lattice="11.10739 0.0 0.0 0.0 11.10739 0.0 0.0 0.0 11.10739" Properties=species:S:1:pos:R:3:forces:R:3 stress="0.006991508710448411 -0.004905655174318719 -6.532024537203883e-05 -0.004905655174318719 0.013501414724925189 -0.011788005001951407 -6.532024537203883e-05 -0.011788005001951407 0.02202594016281379" pbc="T T T" energy=-898.35268952 free_energy=-898.45695694 config_type=amorph 
Hf      10.01241639       8.48168209       4.25476482       1.95896991      -0.95948942       0.93867199 
Hf       3.55328072      11.03088074       3.99474538      -1.17828529      -0.10395638       1.24435772 
Hf       4.48853129       5.33728372       5.85745535       1.50787639       2.68850476      -2.97441244 
Hf       3.21356908       3.27673947       3.11476274      -0.67649334       0.50204596       0.14743830 
Hf       3.13220401       5.50653180       0.95016124      -1.80752333      -4.31197987      -2.20773538 
Hf       2.79332076       8.22471651       5.98127975      -2.31922001       1.65599481       1.69383902 
Hf       0.26930123      10.60114871      10.16276191       1.91005167       3.13391878      -1.43533094 
Hf       3.11785804       0.19875864       7.21304843      -0.57077703      -1.59643402       1.14180921 
Hf       0.50374424       7.13724960      10.20757078      -1.05322628      -4.74178198       2.96512746 
Hf       6.05378102       1.70416331       5.00741379      -1.92691150       1.69407480      -0.80495326 
Hf       8.20661768       0.67277939       6.58545735       3.65091576      -0.13811167       0.45527087 
Hf       4.78857288       5.01714186       8.85791938       1.05313660      -0.01993984       3.61598955 
Hf       6.36552592       8.36760097       4.56952626      -0.10686833      -0.37992060      -2.00119243 
Hf       4.81099870       1.69078490       9.47219859       2.95484126       3.48991176      -8.17512832 
Hf       7.63555799       7.24908214      10.57764047       2.30609160      -3.27073659      -1.23615342 
Hf       2.15931871       3.57414617       7.06199115      -0.04780757      -0.10924396      -1.67458309 
Hf       9.41909515       4.91731197       1.80398742       0.40687609       2.20403797      -2.10165976 
Hf       0.52429213       1.39691757       2.07665607       1.02992058       1.11024698       0.31437338 
Hf       9.97339946       8.22464886       7.45992461      -4.37406814      -4.49374618      -0.18863469 
Hf       1.21441860       6.11220200       3.89732601       3.21241296       1.39394930       3.32132422 
Hf       0.28957721       0.40419748       5.50613427      -0.54610450      -2.14352140       0.37963495 
Hf       4.83490447       8.79628825       1.11667668       2.09050602      -1.40656443       1.62792183 
Hf      10.91764657       3.08838035       9.78608110       0.14720166       2.97975090       1.17742225 
Hf       6.35694746       5.35043554       2.71764133       4.28492202      -3.27435288       0.25135209 
Hf       4.75028604       8.40699333       8.81258679      -0.80221050      -1.82234136      -1.52137557 
Hf       2.01546524       8.86533656       1.37272990      -7.52447487      -2.65928827       1.78103460 
Hf       7.98475645       4.57647116       7.50588599       0.08891308      -0.59324362       0.35059300 
Hf       5.23543751       1.16412412       1.09272026      -3.76277072       4.50950000       1.16552235 
Hf       7.72590739      10.29748711      10.01728475       1.52410207      -2.74785583       1.97526311 
Hf       7.61523092       2.76920040      10.62153599      -0.43091169       1.44962373      -0.46984610 
Hf       8.09245837       0.11313188       2.49625150      -2.23616981      -8.77846486       3.64437779 
Hf      10.33316060       3.63424226       4.31258623      -4.39035329      -0.40698658       2.14289454 
O       1.39870064      10.71951950       8.61790712       0.91053194       0.37127247      -0.40450682 
O       8.90982610       3.69946263       6.00627749       0.56670295      -0.63839810      -2.00189868 
O       6.49904985       1.61377148       6.86214588       2.02662029       0.06086622       0.16738337 
O       4.28731559       9.19515673       5.25797029       3.33424644       2.26947469      -3.47868800 
O       5.06343435      11.07979735       8.31080556      -2.21356444      -0.43408618       0.54126887 
O       0.01052314       7.42099332       5.66773080       0.14807948       0.10612447      -1.22603158 
O      10.56894961       5.87176433       3.42882286      -4.82540196      -1.97827310      -2.47896998 
O      10.70696726       1.42598117       3.92754200      -0.65159793       3.33685040      -1.78090000 
O       6.58211558       6.03516137       9.20955780       2.70401650       0.70563344       1.41197011 
O       2.17684740      10.12644119       5.53505136      -0.83671434       2.79267395      -0.73241771 
O      11.09794794       8.89770549      10.93748292       2.75478780       0.51888258       1.63447709 
O       8.24964982       7.52874856       4.48630337      -1.18043605       2.01183412       0.16414472 
O       0.09138227       1.44903089      10.93402930       0.27857673      -0.45040366       0.93026733 
O       4.39486333       1.72227668       3.03758726       3.68696134      -4.30934027      -1.23061183 
O       4.41727205       0.90005536       5.67334847      -2.40772391      -1.19403405      -1.37691114 
O       6.05173793      10.71162325       1.45132701       0.23889064      -1.94158303       0.88074492 
O       3.91045995       7.05389019       1.90318119       1.37696634       3.30616383      -1.09596947 
O       0.51826271       4.50944039       5.31401130       0.14886193      -0.49991327       0.71271509 
O       5.71556444       6.48788803       3.94613311      -2.22255323       2.05748257       5.71480671 
O       6.45787720       3.60127386       9.19553027      -0.83646701      -1.97353769       1.54170714 
O       4.64719291       6.80280253       9.93340141      -3.35245188       0.49961897       0.21014439 
O       2.35940124       3.23239922       1.29665594       1.22421269      -3.67856913       0.88143541 
O       3.83765378       2.56627682       7.75623812      -0.54360837      -0.29370969       0.69826543 
O       6.22168199       8.34591635       2.53705039      -1.62467578       1.95654017       